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 1kpo_1_O DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEAALH 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 0.000 177.584 177.584 -0.001 0.000 1.274 2 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 3 A N 1.294 124.112 122.820 -0.004 0.000 2.540 3 A HA 0.396 4.716 4.320 -0.000 0.000 0.268 3 A C 0.430 178.009 177.584 -0.007 0.000 1.061 3 A CA 0.657 52.691 52.037 -0.004 0.000 0.821 3 A CB -0.719 18.276 19.000 -0.008 0.000 0.970 3 A HN 0.544 nan 8.150 nan 0.000 0.524 4 K N 1.861 122.262 120.400 0.002 0.000 2.098 4 K HA 0.394 4.714 4.320 -0.000 0.000 0.244 4 K C -0.541 176.059 176.600 0.000 0.000 1.014 4 K CA -0.611 55.679 56.287 0.005 0.000 0.917 4 K CB 0.870 33.384 32.500 0.024 0.000 1.072 4 K HN 0.729 nan 8.250 nan 0.000 0.477 5 D N 0.253 120.657 120.400 0.007 0.000 2.362 5 D HA 0.418 5.058 4.640 -0.000 0.000 0.247 5 D C -1.480 174.875 176.300 0.091 0.000 1.050 5 D CA -0.694 53.313 54.000 0.012 0.000 0.839 5 D CB 1.466 42.230 40.800 -0.059 0.000 1.283 5 D HN 0.047 nan 8.370 nan 0.000 0.477 6 V N 3.810 123.733 119.914 0.016 0.000 2.623 6 V HA 0.443 4.563 4.120 -0.000 0.000 0.304 6 V C -0.265 175.589 176.094 -0.400 0.000 1.054 6 V CA -0.757 61.466 62.300 -0.128 0.000 0.882 6 V CB 2.030 33.735 31.823 -0.196 0.000 1.002 6 V HN 0.455 nan 8.190 nan 0.000 0.424 7 K N 3.493 123.596 120.400 -0.494 0.000 2.375 7 K HA 0.822 5.142 4.320 -0.000 0.000 0.249 7 K C -1.723 174.520 176.600 -0.596 0.000 0.942 7 K CA -0.500 55.441 56.287 -0.576 0.000 0.806 7 K CB 2.341 34.632 32.500 -0.349 0.000 1.227 7 K HN 0.448 nan 8.250 nan 0.000 0.430 8 F N -0.202 119.702 119.950 -0.077 0.000 2.620 8 F HA 0.587 5.114 4.527 -0.000 0.000 0.320 8 F C 0.892 176.656 175.800 -0.060 0.000 1.069 8 F CA -0.473 57.485 58.000 -0.070 0.000 0.953 8 F CB 1.245 40.221 39.000 -0.039 0.000 1.322 8 F HN 0.771 nan 8.300 nan 0.000 0.479 9 G N 1.373 110.273 108.800 0.167 0.000 2.575 9 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.267 9 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.267 9 G C 0.833 175.750 174.900 0.028 0.000 1.264 9 G CA 0.425 45.569 45.100 0.073 0.000 0.935 9 G HN 0.826 nan 8.290 nan 0.000 0.568 10 N N 0.315 119.027 118.700 0.020 0.000 2.100 10 N HA -0.276 4.464 4.740 -0.000 0.000 0.199 10 N C 1.740 177.245 175.510 -0.008 0.000 1.017 10 N CA 2.295 55.348 53.050 0.006 0.000 0.890 10 N CB -0.401 38.092 38.487 0.010 0.000 1.080 10 N HN 0.696 nan 8.380 nan 0.000 0.525 11 D N 0.715 121.112 120.400 -0.006 0.000 2.303 11 D HA -0.266 4.374 4.640 -0.000 0.000 0.190 11 D C 1.816 178.067 176.300 -0.081 0.000 1.011 11 D CA 1.915 55.902 54.000 -0.022 0.000 0.860 11 D CB -0.770 40.019 40.800 -0.018 0.000 0.961 11 D HN 0.442 nan 8.370 nan 0.000 0.453 12 A N -0.051 122.690 122.820 -0.131 0.000 2.032 12 A HA -0.252 4.068 4.320 -0.000 0.000 0.221 12 A C 2.120 179.604 177.584 -0.167 0.000 1.165 12 A CA 1.886 53.776 52.037 -0.244 0.000 0.645 12 A CB -0.365 18.532 19.000 -0.172 0.000 0.807 12 A HN 0.180 nan 8.150 nan 0.000 0.453 13 R N -1.042 119.410 120.500 -0.081 0.000 2.062 13 R HA 0.008 4.348 4.340 -0.000 0.000 0.218 13 R C 2.239 178.521 176.300 -0.030 0.000 1.161 13 R CA 1.130 57.201 56.100 -0.049 0.000 0.994 13 R CB -0.765 29.520 30.300 -0.025 0.000 0.888 13 R HN 0.505 nan 8.270 nan 0.000 0.442 14 V N 0.895 120.799 119.914 -0.017 0.000 2.428 14 V HA -0.297 3.823 4.120 -0.000 0.000 0.255 14 V C 1.873 177.972 176.094 0.008 0.000 1.080 14 V CA 1.711 64.011 62.300 -0.001 0.000 1.083 14 V CB -0.536 31.291 31.823 0.006 0.000 0.665 14 V HN 0.152 nan 8.190 nan 0.000 0.461 15 K N -0.112 120.292 120.400 0.006 0.000 2.026 15 K HA -0.013 4.307 4.320 -0.000 0.000 0.208 15 K C 2.256 178.877 176.600 0.034 0.000 1.048 15 K CA 2.121 58.436 56.287 0.046 0.000 0.929 15 K CB -0.541 32.013 32.500 0.089 0.000 0.713 15 K HN 0.553 nan 8.250 nan 0.000 0.439 16 M N 0.457 120.055 119.600 -0.003 0.000 2.080 16 M HA -0.204 4.276 4.480 -0.000 0.000 0.260 16 M C 2.212 178.516 176.300 0.008 0.000 1.068 16 M CA 1.204 56.504 55.300 0.001 0.000 1.109 16 M CB -0.417 32.171 32.600 -0.021 0.000 1.342 16 M HN 0.063 nan 8.290 nan 0.000 0.405 17 L N 0.783 122.008 121.223 0.003 0.000 1.932 17 L HA -0.223 4.117 4.340 -0.000 0.000 0.217 17 L C 2.427 179.303 176.870 0.010 0.000 1.077 17 L CA 2.102 56.945 54.840 0.005 0.000 0.765 17 L CB -1.023 41.038 42.059 0.003 0.000 0.888 17 L HN 0.161 nan 8.230 nan 0.000 0.433 18 R N 0.319 120.827 120.500 0.013 0.000 2.174 18 R HA -0.141 4.199 4.340 -0.000 0.000 0.253 18 R C 2.089 178.400 176.300 0.018 0.000 1.165 18 R CA 1.822 57.931 56.100 0.016 0.000 0.984 18 R CB -1.540 28.772 30.300 0.020 0.000 0.873 18 R HN 0.634 nan 8.270 nan 0.000 0.456 19 G N -0.609 108.205 108.800 0.024 0.000 2.402 19 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.216 19 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.216 19 G C 1.424 176.334 174.900 0.016 0.000 1.162 19 G CA 0.988 46.103 45.100 0.026 0.000 0.777 19 G HN 0.367 nan 8.290 nan 0.000 0.539 20 V N -0.967 118.955 119.914 0.013 0.000 2.591 20 V HA -0.017 4.103 4.120 -0.000 0.000 0.249 20 V C 2.205 178.302 176.094 0.006 0.000 1.053 20 V CA 1.702 64.006 62.300 0.008 0.000 1.068 20 V CB -0.658 31.169 31.823 0.007 0.000 0.689 20 V HN 0.135 nan 8.190 nan 0.000 0.462 21 N N 1.038 119.742 118.700 0.006 0.000 2.247 21 N HA -0.138 4.602 4.740 -0.000 0.000 0.189 21 N C 1.643 177.155 175.510 0.003 0.000 1.009 21 N CA 1.723 54.775 53.050 0.004 0.000 0.872 21 N CB -0.466 38.024 38.487 0.005 0.000 0.980 21 N HN 0.531 nan 8.380 nan 0.000 0.436 22 V N 0.677 120.593 119.914 0.004 0.000 2.256 22 V HA -0.129 3.991 4.120 -0.000 0.000 0.240 22 V C 2.325 178.419 176.094 -0.000 0.000 1.036 22 V CA 0.824 63.125 62.300 0.002 0.000 1.008 22 V CB -0.634 31.190 31.823 0.002 0.000 0.648 22 V HN 0.175 nan 8.190 nan 0.000 0.453 23 L N 0.805 122.028 121.223 0.000 0.000 2.064 23 L HA -0.228 4.112 4.340 -0.000 0.000 0.216 23 L C 2.265 179.133 176.870 -0.002 0.000 1.077 23 L CA 2.579 57.418 54.840 -0.001 0.000 0.766 23 L CB -1.018 41.040 42.059 -0.001 0.000 0.890 23 L HN 0.285 nan 8.230 nan 0.000 0.435 24 A N -0.791 122.029 122.820 -0.000 0.000 1.819 24 A HA -0.194 4.126 4.320 -0.000 0.000 0.215 24 A C 1.957 179.540 177.584 -0.002 0.000 1.226 24 A CA 1.507 53.543 52.037 -0.001 0.000 0.608 24 A CB -1.206 17.794 19.000 0.000 0.000 0.877 24 A HN 0.502 nan 8.150 nan 0.000 0.452 25 D N 0.187 120.586 120.400 -0.002 0.000 2.276 25 D HA -0.168 4.472 4.640 -0.000 0.000 0.200 25 D C 1.571 177.869 176.300 -0.004 0.000 1.004 25 D CA 1.629 55.627 54.000 -0.003 0.000 0.898 25 D CB -0.292 40.506 40.800 -0.003 0.000 0.906 25 D HN 0.446 nan 8.370 nan 0.000 0.457 26 A N -0.456 122.361 122.820 -0.004 0.000 2.337 26 A HA 0.283 4.603 4.320 -0.000 0.000 0.227 26 A C 1.669 179.250 177.584 -0.005 0.000 1.259 26 A CA -0.042 51.992 52.037 -0.005 0.000 0.870 26 A CB 0.565 19.562 19.000 -0.005 0.000 0.927 26 A HN 0.132 nan 8.150 nan 0.000 0.497 27 V N -0.784 119.127 119.914 -0.005 0.000 3.245 27 V HA -0.023 4.097 4.120 -0.000 0.000 0.246 27 V C 1.630 177.721 176.094 -0.005 0.000 1.487 27 V CA 0.878 63.175 62.300 -0.005 0.000 1.154 27 V CB 0.050 31.870 31.823 -0.005 0.000 0.971 27 V HN 0.669 nan 8.190 nan 0.000 0.443 28 K N 2.262 122.659 120.400 -0.005 0.000 2.665 28 K HA 0.017 4.337 4.320 -0.000 0.000 0.196 28 K C 1.181 177.776 176.600 -0.008 0.000 1.021 28 K CA 1.387 57.670 56.287 -0.006 0.000 1.066 28 K CB -0.101 32.395 32.500 -0.006 0.000 0.849 28 K HN 0.517 nan 8.250 nan 0.000 0.500 29 V N -2.935 116.975 119.914 -0.007 0.000 3.048 29 V HA -0.026 4.094 4.120 -0.000 0.000 0.241 29 V C 2.071 178.161 176.094 -0.006 0.000 1.129 29 V CA 0.724 63.020 62.300 -0.007 0.000 1.128 29 V CB -0.211 31.608 31.823 -0.006 0.000 0.849 29 V HN 0.427 nan 8.190 nan 0.000 0.475 30 T N -0.510 114.041 114.554 -0.006 0.000 3.400 30 T HA 0.134 4.484 4.350 -0.000 0.000 0.254 30 T C 0.430 175.127 174.700 -0.004 0.000 1.153 30 T CA 0.121 62.219 62.100 -0.005 0.000 1.012 30 T CB -0.944 67.921 68.868 -0.005 0.000 0.994 30 T HN 0.283 nan 8.240 nan 0.000 0.555 31 L N 2.238 123.458 121.223 -0.005 0.000 2.361 31 L HA 0.585 4.925 4.340 -0.000 0.000 0.278 31 L C 0.983 177.850 176.870 -0.004 0.000 1.113 31 L CA 1.469 56.306 54.840 -0.005 0.000 0.849 31 L CB -0.325 41.730 42.059 -0.008 0.000 1.155 31 L HN 0.645 nan 8.230 nan 0.000 0.452 32 G N 5.058 113.857 108.800 -0.001 0.000 2.527 32 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.227 32 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.227 32 G C -1.975 172.926 174.900 0.003 0.000 1.291 32 G CA -0.067 45.034 45.100 0.002 0.000 0.904 32 G HN 0.595 nan 8.290 nan 0.000 0.577 33 P HA 0.208 nan 4.420 nan 0.000 0.221 33 P C 0.916 178.219 177.300 0.004 0.000 1.152 33 P CA 0.851 63.953 63.100 0.004 0.000 0.851 33 P CB 0.197 31.901 31.700 0.006 0.000 0.833 34 K N 1.140 121.544 120.400 0.007 0.000 2.627 34 K HA 0.273 4.593 4.320 -0.000 0.000 0.212 34 K C 0.990 177.590 176.600 0.001 0.000 1.041 34 K CA -0.126 56.164 56.287 0.005 0.000 1.205 34 K CB -0.485 32.021 32.500 0.010 0.000 0.936 34 K HN 0.121 nan 8.250 nan 0.000 0.489 35 G N 1.299 110.099 108.800 -0.000 0.000 2.483 35 G HA2 0.180 4.140 3.960 -0.000 0.000 0.248 35 G HA3 0.180 4.140 3.960 -0.000 0.000 0.248 35 G C 0.205 175.104 174.900 -0.002 0.000 1.248 35 G CA -0.486 44.613 45.100 -0.002 0.000 0.838 35 G HN 0.072 nan 8.290 nan 0.000 0.566 36 R N 0.804 121.302 120.500 -0.003 0.000 2.541 36 R HA 0.285 4.625 4.340 -0.000 0.000 0.254 36 R C -0.307 175.991 176.300 -0.003 0.000 1.130 36 R CA -0.877 55.221 56.100 -0.003 0.000 1.152 36 R CB 0.046 30.344 30.300 -0.004 0.000 1.222 36 R HN 0.572 nan 8.270 nan 0.000 0.579 37 N N -1.059 117.639 118.700 -0.003 0.000 2.443 37 N HA 0.382 5.122 4.740 -0.000 0.000 0.295 37 N C -1.147 174.361 175.510 -0.003 0.000 1.076 37 N CA -0.521 52.527 53.050 -0.003 0.000 0.919 37 N CB 1.797 40.283 38.487 -0.002 0.000 1.176 37 N HN 0.092 nan 8.380 nan 0.000 0.487 38 V N 1.945 121.856 119.914 -0.004 0.000 2.448 38 V HA 0.377 4.497 4.120 -0.000 0.000 0.295 38 V C -0.503 175.588 176.094 -0.005 0.000 1.025 38 V CA -0.832 61.465 62.300 -0.005 0.000 0.859 38 V CB 1.732 33.551 31.823 -0.006 0.000 0.988 38 V HN 0.376 nan 8.190 nan 0.000 0.431 39 V N 6.265 126.176 119.914 -0.005 0.000 2.383 39 V HA 0.430 4.550 4.120 -0.000 0.000 0.275 39 V C -0.065 176.025 176.094 -0.007 0.000 1.036 39 V CA -0.463 61.834 62.300 -0.005 0.000 0.889 39 V CB 1.202 33.023 31.823 -0.004 0.000 0.985 39 V HN 0.629 nan 8.190 nan 0.000 0.459 40 L N 3.603 124.822 121.223 -0.007 0.000 2.321 40 L HA 0.400 4.740 4.340 -0.000 0.000 0.272 40 L C 0.165 177.027 176.870 -0.013 0.000 1.050 40 L CA -0.483 54.350 54.840 -0.011 0.000 0.893 40 L CB 0.814 42.866 42.059 -0.010 0.000 1.272 40 L HN 0.628 nan 8.230 nan 0.000 0.435 41 D N 3.132 123.523 120.400 -0.016 0.000 2.571 41 D HA -0.035 4.605 4.640 -0.000 0.000 0.231 41 D C -0.016 176.267 176.300 -0.028 0.000 1.133 41 D CA 1.102 55.090 54.000 -0.020 0.000 0.862 41 D CB 0.885 41.671 40.800 -0.023 0.000 1.179 41 D HN 0.335 nan 8.370 nan 0.000 0.474 42 K N 1.013 121.396 120.400 -0.028 0.000 2.238 42 K HA 0.358 4.678 4.320 -0.000 0.000 0.239 42 K C 1.020 177.579 176.600 -0.069 0.000 0.987 42 K CA -0.607 55.657 56.287 -0.039 0.000 0.857 42 K CB 1.251 33.744 32.500 -0.011 0.000 1.154 42 K HN 0.550 nan 8.250 nan 0.000 0.439 43 S N 0.891 116.509 115.700 -0.136 0.000 2.309 43 S HA 0.046 4.516 4.470 -0.000 0.000 0.206 43 S C 0.472 174.960 174.600 -0.187 0.000 1.028 43 S CA 0.481 58.513 58.200 -0.280 0.000 0.972 43 S CB -0.345 62.520 63.200 -0.558 0.000 0.961 43 S HN 0.367 nan 8.310 nan 0.000 0.449 44 F N 3.155 123.104 119.950 -0.002 0.000 2.404 44 F HA 0.703 5.230 4.527 -0.000 0.000 0.358 44 F C 1.247 177.046 175.800 -0.002 0.000 1.120 44 F CA 0.043 58.041 58.000 -0.002 0.000 1.144 44 F CB 0.553 39.552 39.000 -0.002 0.000 1.133 44 F HN 0.817 nan 8.300 nan 0.000 0.495 45 G N 1.360 110.272 108.800 0.186 0.000 2.352 45 G HA2 0.375 4.335 3.960 -0.000 0.000 0.324 45 G HA3 0.375 4.335 3.960 -0.000 0.000 0.324 45 G C -1.462 173.475 174.900 0.062 0.000 1.249 45 G CA -0.582 44.579 45.100 0.102 0.000 1.053 45 G HN 0.903 nan 8.290 nan 0.000 0.492 46 A N 0.539 123.384 122.820 0.042 0.000 2.303 46 A HA 0.866 5.186 4.320 -0.000 0.000 0.317 46 A C -1.611 175.985 177.584 0.019 0.000 1.149 46 A CA -0.750 51.303 52.037 0.027 0.000 0.822 46 A CB 0.154 19.167 19.000 0.022 0.000 1.131 46 A HN 0.675 nan 8.150 nan 0.000 0.493 47 P HA 0.143 nan 4.420 nan 0.000 0.270 47 P C -0.263 177.040 177.300 0.005 0.000 1.216 47 P CA 0.384 63.487 63.100 0.004 0.000 0.788 47 P CB 0.331 32.032 31.700 0.002 0.000 0.883 48 T N 1.785 116.340 114.554 0.001 0.000 2.797 48 T HA 0.555 4.905 4.350 -0.000 0.000 0.279 48 T C 0.064 174.764 174.700 -0.000 0.000 0.991 48 T CA -0.341 61.760 62.100 0.002 0.000 0.979 48 T CB 0.244 69.112 68.868 0.001 0.000 0.943 48 T HN 0.155 nan 8.240 nan 0.000 0.444 49 I N 2.620 123.190 120.570 0.001 0.000 2.362 49 I HA 0.599 4.769 4.170 -0.000 0.000 0.289 49 I C 0.383 176.500 176.117 -0.001 0.000 0.994 49 I CA -0.505 60.795 61.300 -0.000 0.000 1.158 49 I CB 1.811 39.812 38.000 0.001 0.000 1.315 49 I HN 0.518 nan 8.210 nan 0.000 0.451 50 T N 4.123 118.676 114.554 -0.002 0.000 2.762 50 T HA 0.409 4.759 4.350 -0.000 0.000 0.301 50 T C -0.341 174.357 174.700 -0.003 0.000 1.299 50 T CA -0.560 61.539 62.100 -0.002 0.000 1.005 50 T CB 1.816 70.682 68.868 -0.003 0.000 1.377 50 T HN 0.685 nan 8.240 nan 0.000 0.504 51 K N 0.723 121.121 120.400 -0.003 0.000 2.533 51 K HA 0.207 4.527 4.320 -0.000 0.000 0.202 51 K C -0.849 175.748 176.600 -0.005 0.000 1.096 51 K CA -0.256 56.028 56.287 -0.004 0.000 1.056 51 K CB 0.629 33.127 32.500 -0.003 0.000 0.890 51 K HN 0.367 nan 8.250 nan 0.000 0.552 52 D N 0.953 121.349 120.400 -0.006 0.000 2.483 52 D HA 0.081 4.721 4.640 -0.000 0.000 0.220 52 D C 1.324 177.619 176.300 -0.009 0.000 1.173 52 D CA -0.066 53.929 54.000 -0.008 0.000 0.964 52 D CB 0.633 41.428 40.800 -0.008 0.000 1.046 52 D HN 0.279 nan 8.370 nan 0.000 0.517 53 G N 2.066 110.861 108.800 -0.008 0.000 2.581 53 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.223 53 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.223 53 G C 1.449 176.343 174.900 -0.010 0.000 1.094 53 G CA 0.955 46.050 45.100 -0.008 0.000 0.736 53 G HN 0.473 nan 8.290 nan 0.000 0.588 54 V N 0.505 120.412 119.914 -0.012 0.000 2.283 54 V HA -0.129 3.991 4.120 -0.000 0.000 0.243 54 V C 2.987 179.074 176.094 -0.013 0.000 1.039 54 V CA 2.130 64.421 62.300 -0.015 0.000 1.016 54 V CB -0.586 31.227 31.823 -0.018 0.000 0.650 54 V HN 0.367 nan 8.190 nan 0.000 0.449 55 S N -0.095 115.598 115.700 -0.012 0.000 2.399 55 S HA -0.144 4.326 4.470 -0.000 0.000 0.231 55 S C 1.968 176.561 174.600 -0.010 0.000 1.022 55 S CA 1.286 59.480 58.200 -0.010 0.000 0.983 55 S CB -0.141 63.054 63.200 -0.008 0.000 0.803 55 S HN 0.356 nan 8.310 nan 0.000 0.480 56 V N 1.587 121.495 119.914 -0.010 0.000 2.515 56 V HA -0.137 3.983 4.120 -0.000 0.000 0.250 56 V C 2.449 178.536 176.094 -0.010 0.000 1.058 56 V CA 1.461 63.755 62.300 -0.010 0.000 1.064 56 V CB -1.026 30.792 31.823 -0.008 0.000 0.675 56 V HN 0.521 nan 8.190 nan 0.000 0.461 57 A N -0.178 122.635 122.820 -0.011 0.000 1.832 57 A HA -0.194 4.126 4.320 -0.000 0.000 0.214 57 A C 2.334 179.910 177.584 -0.013 0.000 1.200 57 A CA 1.614 53.644 52.037 -0.012 0.000 0.610 57 A CB -0.654 18.338 19.000 -0.014 0.000 0.842 57 A HN 0.379 nan 8.150 nan 0.000 0.444 58 R N -0.258 120.233 120.500 -0.014 0.000 2.208 58 R HA -0.188 4.152 4.340 -0.000 0.000 0.262 58 R C 1.026 177.316 176.300 -0.015 0.000 1.166 58 R CA 1.713 57.804 56.100 -0.015 0.000 0.987 58 R CB -0.328 29.963 30.300 -0.015 0.000 0.887 58 R HN 0.518 nan 8.270 nan 0.000 0.459 59 E N 0.081 120.272 120.200 -0.014 0.000 2.416 59 E HA 0.054 4.404 4.350 -0.000 0.000 0.189 59 E C 0.165 176.756 176.600 -0.015 0.000 1.091 59 E CA 0.194 56.584 56.400 -0.016 0.000 0.889 59 E CB 0.162 29.852 29.700 -0.016 0.000 1.015 59 E HN 0.223 nan 8.360 nan 0.000 0.479 60 I N 1.083 121.645 120.570 -0.013 0.000 2.437 60 I HA 0.303 4.473 4.170 -0.000 0.000 0.298 60 I C 0.175 176.286 176.117 -0.010 0.000 0.984 60 I CA -0.324 60.970 61.300 -0.011 0.000 1.214 60 I CB 1.410 39.405 38.000 -0.009 0.000 1.365 60 I HN -0.020 nan 8.210 nan 0.000 0.469 61 E N 6.405 126.600 120.200 -0.010 0.000 3.386 61 E HA 0.260 4.610 4.350 -0.000 0.000 0.370 61 E C -1.914 174.680 176.600 -0.009 0.000 1.006 61 E CA -0.414 55.981 56.400 -0.009 0.000 0.812 61 E CB 1.083 30.776 29.700 -0.012 0.000 1.301 61 E HN 0.439 nan 8.360 nan 0.000 0.460 62 L N 2.705 123.925 121.223 -0.005 0.000 2.472 62 L HA 0.423 4.763 4.340 -0.000 0.000 0.256 62 L C 1.656 178.517 176.870 -0.015 0.000 1.111 62 L CA -0.496 54.339 54.840 -0.007 0.000 0.800 62 L CB 0.640 42.699 42.059 0.001 0.000 1.286 62 L HN 0.735 nan 8.230 nan 0.000 0.479 63 E N 0.286 120.475 120.200 -0.019 0.000 2.011 63 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 63 E C 0.424 176.998 176.600 -0.043 0.000 0.980 63 E CA 0.120 56.502 56.400 -0.030 0.000 0.814 63 E CB 0.122 29.804 29.700 -0.030 0.000 0.775 63 E HN 0.691 nan 8.360 nan 0.000 0.454 64 D N 1.316 121.693 120.400 -0.040 0.000 2.433 64 D HA -0.111 4.529 4.640 -0.000 0.000 0.274 64 D C 0.661 176.920 176.300 -0.069 0.000 1.344 64 D CA 0.175 54.138 54.000 -0.063 0.000 0.989 64 D CB 0.574 41.360 40.800 -0.023 0.000 1.116 64 D HN 0.122 nan 8.370 nan 0.000 0.533 65 K N 3.439 123.750 120.400 -0.150 0.000 2.184 65 K HA -0.229 4.091 4.320 -0.000 0.000 0.210 65 K C 1.708 178.309 176.600 0.002 0.000 1.048 65 K CA 1.344 57.545 56.287 -0.142 0.000 0.931 65 K CB -0.358 31.973 32.500 -0.283 0.000 0.718 65 K HN 0.465 nan 8.250 nan 0.000 0.465 66 F N 1.398 121.336 119.950 -0.021 0.000 2.074 66 F HA -0.022 4.505 4.527 -0.000 0.000 0.290 66 F C 2.482 178.274 175.800 -0.014 0.000 1.118 66 F CA 0.596 58.584 58.000 -0.019 0.000 1.199 66 F CB -1.140 37.846 39.000 -0.024 0.000 1.012 66 F HN 0.087 nan 8.300 nan 0.000 0.472 67 E N 0.286 120.604 120.200 0.197 0.000 2.086 67 E HA -0.360 3.990 4.350 -0.000 0.000 0.205 67 E C 1.906 178.550 176.600 0.074 0.000 1.027 67 E CA 1.909 58.368 56.400 0.099 0.000 0.830 67 E CB -0.694 29.043 29.700 0.062 0.000 0.751 67 E HN 0.399 nan 8.360 nan 0.000 0.456 68 N N 0.493 119.230 118.700 0.062 0.000 2.094 68 N HA -0.199 4.541 4.740 -0.000 0.000 0.191 68 N C 1.906 177.445 175.510 0.049 0.000 1.023 68 N CA 1.606 54.681 53.050 0.040 0.000 0.857 68 N CB -0.063 38.437 38.487 0.023 0.000 1.013 68 N HN 0.097 nan 8.380 nan 0.000 0.426 69 M N -0.444 119.207 119.600 0.084 0.000 2.082 69 M HA -0.138 4.342 4.480 -0.000 0.000 0.258 69 M C 2.195 178.523 176.300 0.046 0.000 1.069 69 M CA 1.892 57.239 55.300 0.078 0.000 1.102 69 M CB -0.828 31.851 32.600 0.132 0.000 1.336 69 M HN 0.420 nan 8.290 nan 0.000 0.404 70 G N -0.186 108.641 108.800 0.044 0.000 2.524 70 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.215 70 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.215 70 G C 1.532 176.442 174.900 0.017 0.000 1.239 70 G CA 1.067 46.180 45.100 0.022 0.000 0.798 70 G HN 0.563 nan 8.290 nan 0.000 0.557 71 A N -0.622 122.209 122.820 0.018 0.000 2.093 71 A HA -0.140 4.180 4.320 -0.000 0.000 0.222 71 A C 2.276 179.864 177.584 0.006 0.000 1.162 71 A CA 2.074 54.117 52.037 0.011 0.000 0.655 71 A CB -0.274 18.733 19.000 0.011 0.000 0.805 71 A HN 0.393 nan 8.150 nan 0.000 0.461 72 Q N -1.466 118.340 119.800 0.010 0.000 2.424 72 Q HA 0.142 4.482 4.340 -0.000 0.000 0.204 72 Q C 1.909 177.908 176.000 -0.002 0.000 0.933 72 Q CA 0.616 56.421 55.803 0.004 0.000 0.929 72 Q CB 0.007 28.751 28.738 0.009 0.000 1.037 72 Q HN 0.831 nan 8.270 nan 0.000 0.511 73 M N -0.756 118.845 119.600 0.000 0.000 2.142 73 M HA -0.087 4.393 4.480 -0.000 0.000 0.256 73 M C 2.228 178.520 176.300 -0.013 0.000 1.098 73 M CA 0.960 56.257 55.300 -0.005 0.000 1.151 73 M CB -0.743 31.857 32.600 0.000 0.000 1.299 73 M HN 0.043 nan 8.290 nan 0.000 0.431 74 V N 1.064 120.974 119.914 -0.007 0.000 2.370 74 V HA -0.334 3.786 4.120 -0.000 0.000 0.252 74 V C 2.191 178.274 176.094 -0.018 0.000 1.068 74 V CA 2.508 64.804 62.300 -0.007 0.000 1.061 74 V CB -0.700 31.123 31.823 0.001 0.000 0.656 74 V HN 0.549 nan 8.190 nan 0.000 0.455 75 K N -0.683 119.707 120.400 -0.017 0.000 2.057 75 K HA -0.217 4.103 4.320 -0.000 0.000 0.207 75 K C 2.328 178.905 176.600 -0.038 0.000 1.049 75 K CA 1.837 58.111 56.287 -0.022 0.000 0.931 75 K CB -0.288 32.202 32.500 -0.016 0.000 0.714 75 K HN 0.577 nan 8.250 nan 0.000 0.440 76 E N 0.394 120.569 120.200 -0.040 0.000 2.208 76 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 76 E C 1.858 178.399 176.600 -0.099 0.000 0.988 76 E CA 0.582 56.947 56.400 -0.057 0.000 0.828 76 E CB 0.167 29.841 29.700 -0.044 0.000 0.763 76 E HN 0.185 nan 8.360 nan 0.000 0.478 77 V N 0.475 120.327 119.914 -0.104 0.000 2.446 77 V HA -0.090 4.030 4.120 -0.000 0.000 0.244 77 V C 2.278 178.229 176.094 -0.239 0.000 1.039 77 V CA 1.585 63.773 62.300 -0.187 0.000 1.045 77 V CB -0.251 31.506 31.823 -0.110 0.000 0.681 77 V HN 0.281 nan 8.190 nan 0.000 0.459 78 A N 0.573 123.327 122.820 -0.111 0.000 1.917 78 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 78 A C 2.520 180.047 177.584 -0.095 0.000 1.182 78 A CA 2.702 54.700 52.037 -0.065 0.000 0.633 78 A CB -1.185 17.801 19.000 -0.022 0.000 0.819 78 A HN 0.909 nan 8.150 nan 0.000 0.448 79 S N -0.214 115.426 115.700 -0.100 0.000 2.462 79 S HA -0.232 4.238 4.470 -0.000 0.000 0.243 79 S C 1.672 176.199 174.600 -0.121 0.000 1.003 79 S CA 1.744 59.891 58.200 -0.088 0.000 0.970 79 S CB -0.423 62.733 63.200 -0.074 0.000 0.762 79 S HN 0.660 nan 8.310 nan 0.000 0.510 80 K N 1.068 121.320 120.400 -0.246 0.000 2.167 80 K HA 0.230 4.550 4.320 -0.000 0.000 0.203 80 K C 2.604 179.141 176.600 -0.106 0.000 1.052 80 K CA 0.843 56.933 56.287 -0.329 0.000 0.956 80 K CB -0.465 31.515 32.500 -0.866 0.000 0.735 80 K HN 0.468 nan 8.250 nan 0.000 0.451 81 A N 1.931 124.749 122.820 -0.003 0.000 1.865 81 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 81 A C 1.929 179.575 177.584 0.103 0.000 1.191 81 A CA 2.121 54.288 52.037 0.218 0.000 0.623 81 A CB -0.830 18.288 19.000 0.197 0.000 0.826 81 A HN 0.304 nan 8.150 nan 0.000 0.444 82 N N 0.017 118.737 118.700 0.033 0.000 2.104 82 N HA -0.162 4.578 4.740 -0.000 0.000 0.190 82 N C 1.237 176.748 175.510 0.001 0.000 1.024 82 N CA 1.721 54.771 53.050 -0.000 0.000 0.853 82 N CB -0.217 38.254 38.487 -0.026 0.000 1.008 82 N HN 0.436 nan 8.380 nan 0.000 0.424 83 D N -0.553 119.852 120.400 0.008 0.000 2.178 83 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 83 D C 1.548 177.881 176.300 0.054 0.000 0.980 83 D CA 1.166 55.176 54.000 0.015 0.000 0.842 83 D CB -0.149 40.649 40.800 -0.004 0.000 0.948 83 D HN 0.435 nan 8.370 nan 0.000 0.472 84 A N 0.904 123.777 122.820 0.088 0.000 1.864 84 A HA 0.317 4.637 4.320 -0.000 0.000 0.213 84 A C 2.143 179.783 177.584 0.093 0.000 1.266 84 A CA 1.328 53.426 52.037 0.102 0.000 0.612 84 A CB -0.749 18.337 19.000 0.143 0.000 0.940 84 A HN 0.195 nan 8.150 nan 0.000 0.463 85 A N -1.710 121.162 122.820 0.086 0.000 1.833 85 A HA 0.395 4.715 4.320 -0.000 0.000 0.215 85 A C 1.845 179.479 177.584 0.083 0.000 1.275 85 A CA 2.243 54.325 52.037 0.076 0.000 0.602 85 A CB -0.879 18.156 19.000 0.058 0.000 0.929 85 A HN 1.664 nan 8.150 nan 0.000 0.462 86 G N -2.329 106.483 108.800 0.021 0.000 4.362 86 G HA2 0.312 4.272 3.960 -0.000 0.000 0.220 86 G HA3 0.312 4.272 3.960 -0.000 0.000 0.220 86 G C -0.357 174.503 174.900 -0.066 0.000 0.795 86 G CA 0.744 45.802 45.100 -0.071 0.000 0.920 86 G HN 0.777 nan 8.290 nan 0.000 0.715 87 D N -2.807 117.583 120.400 -0.017 0.000 2.970 87 D HA 0.520 5.160 4.640 -0.000 0.000 0.344 87 D C 1.222 177.530 176.300 0.013 0.000 1.365 87 D CA 1.098 55.093 54.000 -0.010 0.000 0.910 87 D CB 0.283 41.079 40.800 -0.006 0.000 1.445 87 D HN 1.191 nan 8.370 nan 0.000 0.532 88 G N -1.027 107.782 108.800 0.014 0.000 2.308 88 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.221 88 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.221 88 G C 1.394 176.310 174.900 0.027 0.000 1.032 88 G CA 1.203 46.319 45.100 0.027 0.000 0.623 88 G HN 1.250 nan 8.290 nan 0.000 0.506 89 T N -0.657 113.909 114.554 0.020 0.000 2.649 89 T HA -0.238 4.112 4.350 -0.000 0.000 0.268 89 T C 2.227 176.931 174.700 0.008 0.000 1.036 89 T CA 3.202 65.308 62.100 0.011 0.000 1.157 89 T CB -1.212 67.653 68.868 -0.006 0.000 0.861 89 T HN 0.685 nan 8.240 nan 0.000 0.445 90 T N 1.426 115.983 114.554 0.004 0.000 2.833 90 T HA -0.063 4.287 4.350 -0.000 0.000 0.269 90 T C 2.227 176.931 174.700 0.006 0.000 1.054 90 T CA 1.772 63.874 62.100 0.002 0.000 1.135 90 T CB -0.813 68.055 68.868 -0.001 0.000 0.869 90 T HN 0.650 nan 8.240 nan 0.000 0.466 91 T N 2.060 116.621 114.554 0.012 0.000 2.770 91 T HA 0.097 4.447 4.350 -0.000 0.000 0.263 91 T C 2.504 177.216 174.700 0.021 0.000 1.039 91 T CA 0.914 63.023 62.100 0.014 0.000 1.142 91 T CB -0.676 68.202 68.868 0.017 0.000 0.868 91 T HN 0.407 nan 8.240 nan 0.000 0.435 92 A N 2.041 124.881 122.820 0.033 0.000 1.869 92 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 92 A C 2.568 180.171 177.584 0.031 0.000 1.203 92 A CA 2.552 54.617 52.037 0.047 0.000 0.638 92 A CB -1.667 17.373 19.000 0.067 0.000 0.831 92 A HN 0.476 nan 8.150 nan 0.000 0.450 93 T N -0.784 113.782 114.554 0.019 0.000 2.685 93 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 93 T C 1.813 176.519 174.700 0.009 0.000 1.034 93 T CA 1.811 63.917 62.100 0.011 0.000 1.149 93 T CB -0.667 68.204 68.868 0.004 0.000 0.860 93 T HN 0.401 nan 8.240 nan 0.000 0.449 94 V N 0.416 120.335 119.914 0.008 0.000 2.871 94 V HA 0.054 4.174 4.120 -0.000 0.000 0.256 94 V C 2.029 178.127 176.094 0.007 0.000 1.082 94 V CA 1.145 63.448 62.300 0.005 0.000 1.105 94 V CB -0.462 31.362 31.823 0.001 0.000 0.713 94 V HN 0.474 nan 8.190 nan 0.000 0.473 95 L N 0.076 121.307 121.223 0.012 0.000 2.007 95 L HA 0.033 4.373 4.340 -0.000 0.000 0.205 95 L C 2.880 179.759 176.870 0.015 0.000 1.073 95 L CA 1.544 56.392 54.840 0.013 0.000 0.744 95 L CB -0.932 41.139 42.059 0.020 0.000 0.898 95 L HN 0.394 nan 8.230 nan 0.000 0.435 96 A N -0.466 122.366 122.820 0.020 0.000 1.869 96 A HA -0.364 3.956 4.320 -0.000 0.000 0.218 96 A C 2.216 179.807 177.584 0.012 0.000 1.203 96 A CA 2.313 54.362 52.037 0.019 0.000 0.638 96 A CB -0.974 18.038 19.000 0.021 0.000 0.831 96 A HN 0.523 nan 8.150 nan 0.000 0.450 97 Q N -0.742 119.063 119.800 0.009 0.000 2.118 97 Q HA -0.301 4.039 4.340 -0.000 0.000 0.211 97 Q C 2.290 178.293 176.000 0.005 0.000 0.998 97 Q CA 2.456 58.262 55.803 0.006 0.000 0.872 97 Q CB -0.426 28.314 28.738 0.003 0.000 0.925 97 Q HN 0.656 nan 8.270 nan 0.000 0.414 98 A N 0.563 123.385 122.820 0.004 0.000 1.883 98 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 98 A C 2.002 179.589 177.584 0.004 0.000 1.186 98 A CA 1.724 53.762 52.037 0.003 0.000 0.624 98 A CB -0.715 18.286 19.000 0.002 0.000 0.822 98 A HN 0.484 nan 8.150 nan 0.000 0.444 99 I N -0.319 120.254 120.570 0.006 0.000 2.133 99 I HA -0.239 3.931 4.170 -0.000 0.000 0.238 99 I C 2.332 178.452 176.117 0.005 0.000 1.074 99 I CA 1.429 62.733 61.300 0.006 0.000 1.342 99 I CB -0.547 37.459 38.000 0.009 0.000 1.053 99 I HN 0.267 nan 8.210 nan 0.000 0.404 100 I N 0.870 121.443 120.570 0.006 0.000 2.194 100 I HA -0.309 3.861 4.170 -0.000 0.000 0.246 100 I C 2.587 178.706 176.117 0.003 0.000 1.093 100 I CA 1.840 63.143 61.300 0.004 0.000 1.355 100 I CB -0.933 37.070 38.000 0.005 0.000 1.046 100 I HN 0.322 nan 8.210 nan 0.000 0.413 101 T N -0.116 114.439 114.554 0.003 0.000 2.788 101 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 101 T C 1.780 176.481 174.700 0.001 0.000 1.044 101 T CA 1.197 63.298 62.100 0.002 0.000 1.139 101 T CB -0.134 68.735 68.868 0.001 0.000 0.867 101 T HN 0.304 nan 8.240 nan 0.000 0.454 102 E N 0.347 120.548 120.200 0.001 0.000 2.250 102 E HA 0.142 4.492 4.350 -0.000 0.000 0.192 102 E C 2.414 179.015 176.600 0.001 0.000 0.986 102 E CA 0.430 56.831 56.400 0.001 0.000 0.849 102 E CB -0.440 29.260 29.700 0.001 0.000 0.797 102 E HN 0.530 nan 8.360 nan 0.000 0.482 103 G N 1.757 110.558 108.800 0.002 0.000 2.505 103 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.214 103 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.214 103 G C 1.630 176.530 174.900 0.000 0.000 1.237 103 G CA 0.482 45.583 45.100 0.001 0.000 0.802 103 G HN 0.187 nan 8.290 nan 0.000 0.549 104 L N 0.323 121.546 121.223 0.000 0.000 2.261 104 L HA -0.068 4.271 4.340 -0.000 0.000 0.216 104 L C 2.728 179.598 176.870 0.000 0.000 1.114 104 L CA 1.261 56.101 54.840 -0.001 0.000 0.777 104 L CB -0.360 41.698 42.059 -0.001 0.000 0.910 104 L HN 0.246 nan 8.230 nan 0.000 0.440 105 K N 0.260 120.660 120.400 0.000 0.000 2.288 105 K HA -0.083 4.237 4.320 -0.000 0.000 0.201 105 K C 2.076 178.676 176.600 0.001 0.000 1.048 105 K CA 0.939 57.227 56.287 0.001 0.000 0.956 105 K CB 0.110 32.610 32.500 0.001 0.000 0.746 105 K HN 0.301 nan 8.250 nan 0.000 0.461 106 A N 0.163 122.984 122.820 0.000 0.000 1.862 106 A HA -0.012 4.308 4.320 -0.000 0.000 0.211 106 A C 2.091 179.675 177.584 -0.000 0.000 1.220 106 A CA 0.724 52.761 52.037 -0.000 0.000 0.616 106 A CB -0.607 18.393 19.000 -0.000 0.000 0.878 106 A HN 0.064 nan 8.150 nan 0.000 0.453 107 V N 0.517 120.430 119.914 -0.001 0.000 2.233 107 V HA -0.364 3.756 4.120 -0.000 0.000 0.252 107 V C 2.957 179.050 176.094 -0.001 0.000 1.063 107 V CA 2.373 64.672 62.300 -0.001 0.000 1.032 107 V CB -1.302 30.520 31.823 -0.002 0.000 0.645 107 V HN 0.606 nan 8.190 nan 0.000 0.446 108 A N -0.690 122.130 122.820 0.000 0.000 2.225 108 A HA 0.104 4.424 4.320 -0.000 0.000 0.215 108 A C 2.112 179.696 177.584 0.001 0.000 1.164 108 A CA 1.578 53.615 52.037 0.001 0.000 0.710 108 A CB -0.530 18.471 19.000 0.002 0.000 0.780 108 A HN 0.662 nan 8.150 nan 0.000 0.473 109 A N -2.149 120.671 122.820 0.001 0.000 2.238 109 A HA 0.452 4.772 4.320 -0.000 0.000 0.210 109 A C 1.592 179.176 177.584 -0.000 0.000 1.179 109 A CA 1.163 53.200 52.037 0.001 0.000 0.827 109 A CB -0.300 18.701 19.000 0.000 0.000 0.856 109 A HN 1.670 nan 8.150 nan 0.000 0.488 110 G N -1.922 106.878 108.800 -0.001 0.000 2.183 110 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.168 110 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.168 110 G C 0.047 174.945 174.900 -0.002 0.000 1.008 110 G CA 0.023 45.122 45.100 -0.001 0.000 0.677 110 G HN 0.277 nan 8.290 nan 0.000 0.498 111 M N 0.744 120.342 119.600 -0.002 0.000 2.471 111 M HA 0.386 4.866 4.480 -0.000 0.000 0.309 111 M C 0.486 176.784 176.300 -0.004 0.000 1.186 111 M CA -0.833 54.465 55.300 -0.003 0.000 1.008 111 M CB 0.890 33.489 32.600 -0.002 0.000 1.551 111 M HN 0.133 nan 8.290 nan 0.000 0.477 112 N N 1.699 120.397 118.700 -0.004 0.000 2.475 112 N HA 0.111 4.851 4.740 -0.000 0.000 0.267 112 N C -2.277 173.230 175.510 -0.005 0.000 1.169 112 N CA -1.195 51.852 53.050 -0.005 0.000 0.947 112 N CB 1.289 39.773 38.487 -0.006 0.000 1.061 112 N HN 0.255 nan 8.380 nan 0.000 0.466 113 P HA -0.053 nan 4.420 nan 0.000 0.213 113 P C 1.767 179.065 177.300 -0.004 0.000 1.170 113 P CA 1.153 64.250 63.100 -0.005 0.000 0.893 113 P CB 0.177 31.873 31.700 -0.006 0.000 0.784 114 M N -0.516 119.081 119.600 -0.005 0.000 2.260 114 M HA -0.170 4.310 4.480 -0.000 0.000 0.261 114 M C 1.176 177.474 176.300 -0.003 0.000 1.066 114 M CA 1.683 56.980 55.300 -0.005 0.000 1.082 114 M CB -1.494 31.102 32.600 -0.006 0.000 1.388 114 M HN 0.012 nan 8.290 nan 0.000 0.419 115 D N -0.172 120.226 120.400 -0.003 0.000 2.149 115 D HA 0.024 4.663 4.640 -0.000 0.000 0.206 115 D C 2.239 178.538 176.300 -0.001 0.000 0.967 115 D CA 0.701 54.699 54.000 -0.003 0.000 0.848 115 D CB -0.187 40.611 40.800 -0.003 0.000 0.998 115 D HN 0.305 nan 8.370 nan 0.000 0.474 116 L N 1.047 122.269 121.223 -0.001 0.000 2.089 116 L HA -0.223 4.117 4.340 -0.000 0.000 0.213 116 L C 2.479 179.349 176.870 0.001 0.000 1.079 116 L CA 1.244 56.084 54.840 -0.000 0.000 0.758 116 L CB -0.374 41.684 42.059 -0.000 0.000 0.891 116 L HN 0.040 nan 8.230 nan 0.000 0.433 117 K N 0.273 120.674 120.400 0.001 0.000 2.097 117 K HA -0.203 4.117 4.320 -0.000 0.000 0.205 117 K C 2.294 178.895 176.600 0.002 0.000 1.050 117 K CA 1.109 57.398 56.287 0.002 0.000 0.938 117 K CB 0.073 32.574 32.500 0.002 0.000 0.718 117 K HN 0.128 nan 8.250 nan 0.000 0.442 118 R N -0.182 120.318 120.500 0.000 0.000 2.057 118 R HA -0.048 4.292 4.340 -0.000 0.000 0.229 118 R C 2.376 178.676 176.300 -0.000 0.000 1.136 118 R CA 1.595 57.695 56.100 -0.000 0.000 0.952 118 R CB -0.689 29.610 30.300 -0.001 0.000 0.848 118 R HN 0.375 nan 8.270 nan 0.000 0.430 119 G N 1.209 110.008 108.800 -0.000 0.000 2.556 119 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.220 119 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.220 119 G C 1.441 176.341 174.900 -0.000 0.000 1.156 119 G CA 1.334 46.434 45.100 -0.000 0.000 0.766 119 G HN 0.302 nan 8.290 nan 0.000 0.583 120 I N 0.636 121.207 120.570 0.001 0.000 2.179 120 I HA -0.129 4.041 4.170 -0.000 0.000 0.242 120 I C 2.253 178.370 176.117 0.000 0.000 1.088 120 I CA 1.337 62.638 61.300 0.001 0.000 1.357 120 I CB -0.191 37.811 38.000 0.003 0.000 1.051 120 I HN 0.092 nan 8.210 nan 0.000 0.409 121 D N 0.530 120.930 120.400 0.000 0.000 2.264 121 D HA -0.184 4.456 4.640 -0.000 0.000 0.208 121 D C 2.013 178.310 176.300 -0.004 0.000 0.966 121 D CA 1.001 55.000 54.000 -0.002 0.000 0.864 121 D CB -0.007 40.793 40.800 -0.001 0.000 0.933 121 D HN 0.347 nan 8.370 nan 0.000 0.499 122 K N 0.833 121.232 120.400 -0.003 0.000 2.005 122 K HA -0.019 4.301 4.320 -0.000 0.000 0.206 122 K C 2.133 178.730 176.600 -0.004 0.000 1.044 122 K CA 0.922 57.208 56.287 -0.003 0.000 0.942 122 K CB -0.016 32.483 32.500 -0.002 0.000 0.727 122 K HN -0.071 nan 8.250 nan 0.000 0.439 123 A N 0.865 123.684 122.820 -0.002 0.000 1.958 123 A HA -0.173 4.147 4.320 -0.000 0.000 0.221 123 A C 2.196 179.778 177.584 -0.003 0.000 1.178 123 A CA 1.939 53.975 52.037 -0.002 0.000 0.642 123 A CB -0.727 18.273 19.000 -0.001 0.000 0.816 123 A HN 0.216 nan 8.150 nan 0.000 0.453 124 V N -0.784 119.127 119.914 -0.005 0.000 2.256 124 V HA -0.184 3.936 4.120 -0.000 0.000 0.240 124 V C 2.669 178.756 176.094 -0.013 0.000 1.036 124 V CA 2.331 64.626 62.300 -0.009 0.000 1.008 124 V CB -1.283 30.533 31.823 -0.012 0.000 0.648 124 V HN 0.604 nan 8.190 nan 0.000 0.453 125 T N 0.691 115.237 114.554 -0.013 0.000 2.792 125 T HA -0.281 4.069 4.350 -0.000 0.000 0.268 125 T C 1.839 176.533 174.700 -0.011 0.000 1.059 125 T CA 1.766 63.857 62.100 -0.014 0.000 1.136 125 T CB -0.438 68.423 68.868 -0.011 0.000 0.846 125 T HN 0.574 nan 8.240 nan 0.000 0.489 126 A N 1.395 124.210 122.820 -0.008 0.000 1.843 126 A HA 0.413 4.733 4.320 -0.000 0.000 0.213 126 A C 2.712 180.294 177.584 -0.005 0.000 1.202 126 A CA 1.337 53.371 52.037 -0.005 0.000 0.607 126 A CB -1.254 17.745 19.000 -0.003 0.000 0.847 126 A HN 0.491 nan 8.150 nan 0.000 0.445 127 A N -0.374 122.443 122.820 -0.005 0.000 2.024 127 A HA -0.022 4.298 4.320 -0.000 0.000 0.220 127 A C 2.106 179.686 177.584 -0.006 0.000 1.164 127 A CA 1.815 53.850 52.037 -0.003 0.000 0.643 127 A CB -0.901 18.097 19.000 -0.003 0.000 0.806 127 A HN 0.435 nan 8.150 nan 0.000 0.451 128 V N -0.292 119.615 119.914 -0.012 0.000 2.490 128 V HA -0.244 3.876 4.120 -0.000 0.000 0.250 128 V C 2.280 178.367 176.094 -0.012 0.000 1.061 128 V CA 2.246 64.536 62.300 -0.017 0.000 1.064 128 V CB -0.720 31.087 31.823 -0.026 0.000 0.670 128 V HN 0.658 nan 8.190 nan 0.000 0.461 129 E N -0.219 119.976 120.200 -0.008 0.000 2.075 129 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 129 E C 2.181 178.780 176.600 -0.001 0.000 0.969 129 E CA 0.618 57.015 56.400 -0.005 0.000 0.815 129 E CB -0.104 29.593 29.700 -0.004 0.000 0.776 129 E HN 0.434 nan 8.360 nan 0.000 0.457 130 E N 0.947 121.147 120.200 -0.000 0.000 2.273 130 E HA -0.198 4.152 4.350 -0.000 0.000 0.198 130 E C 1.702 178.305 176.600 0.005 0.000 1.002 130 E CA 0.555 56.957 56.400 0.003 0.000 0.828 130 E CB -0.030 29.673 29.700 0.004 0.000 0.747 130 E HN 0.120 nan 8.360 nan 0.000 0.491 131 L N 0.209 121.433 121.223 0.002 0.000 2.162 131 L HA 0.024 4.364 4.340 -0.000 0.000 0.205 131 L C 1.666 178.538 176.870 0.003 0.000 1.086 131 L CA 1.305 56.147 54.840 0.003 0.000 0.778 131 L CB -0.013 42.046 42.059 -0.001 0.000 0.928 131 L HN -0.081 nan 8.230 nan 0.000 0.446 132 K N -0.402 119.998 120.400 0.001 0.000 2.574 132 K HA -0.027 4.293 4.320 -0.000 0.000 0.193 132 K C 1.761 178.363 176.600 0.004 0.000 1.035 132 K CA 0.579 56.867 56.287 0.001 0.000 0.982 132 K CB -0.059 32.440 32.500 -0.002 0.000 0.795 132 K HN 0.441 nan 8.250 nan 0.000 0.491 133 A N 1.417 124.240 122.820 0.006 0.000 1.835 133 A HA -0.063 4.257 4.320 -0.000 0.000 0.213 133 A C 1.986 179.576 177.584 0.010 0.000 1.210 133 A CA 0.673 52.715 52.037 0.008 0.000 0.605 133 A CB -0.460 18.545 19.000 0.008 0.000 0.860 133 A HN 0.105 nan 8.150 nan 0.000 0.447 134 L N 0.457 121.688 121.223 0.013 0.000 2.081 134 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 134 L C 1.543 178.422 176.870 0.015 0.000 1.080 134 L CA 1.184 56.034 54.840 0.017 0.000 0.754 134 L CB -1.259 40.812 42.059 0.020 0.000 0.893 134 L HN 0.426 nan 8.230 nan 0.000 0.433 135 S N 0.442 116.149 115.700 0.012 0.000 3.225 135 S HA -0.008 4.462 4.470 -0.000 0.000 0.378 135 S C -0.121 174.485 174.600 0.011 0.000 1.190 135 S CA -0.274 57.933 58.200 0.010 0.000 1.104 135 S CB -0.113 63.092 63.200 0.007 0.000 0.795 135 S HN 0.075 nan 8.310 nan 0.000 0.517 136 V N 9.736 129.657 119.914 0.012 0.000 2.328 136 V HA 0.320 4.440 4.120 -0.000 0.000 0.278 136 V C -1.676 174.424 176.094 0.010 0.000 1.021 136 V CA -1.757 60.550 62.300 0.011 0.000 0.838 136 V CB 0.894 32.725 31.823 0.014 0.000 0.999 136 V HN 0.763 nan 8.190 nan 0.000 0.447 137 P HA -0.114 nan 4.420 nan 0.000 0.275 137 P C -0.154 177.150 177.300 0.007 0.000 1.227 137 P CA 0.165 63.269 63.100 0.007 0.000 0.808 137 P CB 0.305 32.008 31.700 0.006 0.000 0.858 138 C N 0.906 120.210 119.300 0.006 0.000 3.079 138 C HA 0.296 4.756 4.460 -0.000 0.000 0.246 138 C C 1.179 176.171 174.990 0.004 0.000 1.025 138 C CA 0.025 59.046 59.018 0.005 0.000 1.081 138 C CB -1.378 26.366 27.740 0.007 0.000 1.757 138 C HN 0.549 nan 8.230 nan 0.000 0.646 139 S N 0.612 116.313 115.700 0.003 0.000 2.527 139 S HA 0.085 4.555 4.470 -0.000 0.000 0.227 139 S C 0.368 174.969 174.600 0.001 0.000 1.059 139 S CA 0.192 58.393 58.200 0.001 0.000 0.919 139 S CB 0.039 63.240 63.200 0.001 0.000 0.805 139 S HN 0.922 nan 8.310 nan 0.000 0.500 140 D N 2.326 122.727 120.400 0.002 0.000 2.348 140 D HA 0.085 4.725 4.640 -0.000 0.000 0.253 140 D C 0.681 176.982 176.300 0.001 0.000 1.161 140 D CA -0.001 54.000 54.000 0.001 0.000 0.876 140 D CB 1.142 41.944 40.800 0.002 0.000 1.160 140 D HN 0.159 nan 8.370 nan 0.000 0.459 141 S N 1.734 117.434 115.700 0.000 0.000 2.559 141 S HA -0.249 4.221 4.470 -0.000 0.000 0.250 141 S C 1.355 175.956 174.600 0.001 0.000 0.977 141 S CA 0.738 58.938 58.200 -0.000 0.000 0.958 141 S CB -0.307 62.892 63.200 -0.001 0.000 0.751 141 S HN 0.661 nan 8.310 nan 0.000 0.534 142 K N 1.343 121.744 120.400 0.002 0.000 2.141 142 K HA 0.254 4.574 4.320 -0.000 0.000 0.202 142 K C 2.240 178.842 176.600 0.003 0.000 1.045 142 K CA 0.744 57.032 56.287 0.002 0.000 0.971 142 K CB -0.429 32.072 32.500 0.002 0.000 0.795 142 K HN 0.355 nan 8.250 nan 0.000 0.459 143 A N 1.317 124.139 122.820 0.004 0.000 2.014 143 A HA -0.005 4.315 4.320 -0.000 0.000 0.218 143 A C 1.975 179.562 177.584 0.005 0.000 1.163 143 A CA 0.750 52.790 52.037 0.005 0.000 0.652 143 A CB -0.425 18.578 19.000 0.006 0.000 0.808 143 A HN 0.321 nan 8.150 nan 0.000 0.449 144 I N -0.336 120.236 120.570 0.004 0.000 2.286 144 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 144 I C 2.958 179.077 176.117 0.004 0.000 1.115 144 I CA 0.975 62.277 61.300 0.003 0.000 1.392 144 I CB -0.268 37.733 38.000 0.001 0.000 1.065 144 I HN 0.385 nan 8.210 nan 0.000 0.418 145 A N 0.347 123.169 122.820 0.003 0.000 1.877 145 A HA -0.277 4.043 4.320 -0.000 0.000 0.216 145 A C 2.205 179.792 177.584 0.005 0.000 1.186 145 A CA 1.623 53.662 52.037 0.004 0.000 0.620 145 A CB -0.709 18.293 19.000 0.003 0.000 0.822 145 A HN 0.467 nan 8.150 nan 0.000 0.443 146 Q N -0.514 119.289 119.800 0.006 0.000 2.152 146 Q HA -0.146 4.194 4.340 -0.000 0.000 0.206 146 Q C 2.127 178.132 176.000 0.008 0.000 0.985 146 Q CA 1.669 57.475 55.803 0.007 0.000 0.863 146 Q CB -0.468 28.274 28.738 0.007 0.000 0.904 146 Q HN 0.514 nan 8.270 nan 0.000 0.422 147 V N 0.351 120.270 119.914 0.009 0.000 2.229 147 V HA -0.190 3.930 4.120 -0.000 0.000 0.243 147 V C 2.293 178.395 176.094 0.012 0.000 1.042 147 V CA 2.075 64.382 62.300 0.011 0.000 1.000 147 V CB -1.276 30.554 31.823 0.012 0.000 0.637 147 V HN 0.552 nan 8.190 nan 0.000 0.446 148 G N -0.720 108.087 108.800 0.011 0.000 2.507 148 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.221 148 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.221 148 G C 1.648 176.555 174.900 0.011 0.000 1.119 148 G CA 1.757 46.864 45.100 0.013 0.000 0.751 148 G HN 0.483 nan 8.290 nan 0.000 0.574 149 T N 0.969 115.528 114.554 0.009 0.000 2.867 149 T HA 0.017 4.367 4.350 -0.000 0.000 0.268 149 T C 2.291 176.996 174.700 0.008 0.000 1.057 149 T CA 0.820 62.924 62.100 0.007 0.000 1.136 149 T CB -0.088 68.784 68.868 0.006 0.000 0.874 149 T HN 0.325 nan 8.240 nan 0.000 0.466 150 I N 0.638 121.213 120.570 0.009 0.000 2.876 150 I HA 0.005 4.175 4.170 -0.000 0.000 0.264 150 I C 2.127 178.250 176.117 0.010 0.000 1.204 150 I CA 0.524 61.829 61.300 0.008 0.000 1.485 150 I CB -0.074 37.931 38.000 0.009 0.000 1.103 150 I HN 0.107 nan 8.210 nan 0.000 0.446 151 S N 0.860 116.568 115.700 0.013 0.000 2.527 151 S HA 0.141 4.611 4.470 -0.000 0.000 0.222 151 S C 1.681 176.290 174.600 0.015 0.000 0.985 151 S CA 0.738 58.948 58.200 0.017 0.000 0.921 151 S CB 0.134 63.349 63.200 0.024 0.000 0.772 151 S HN 0.479 nan 8.310 nan 0.000 0.529 152 A N 1.348 124.175 122.820 0.012 0.000 2.500 152 A HA 0.441 4.761 4.320 -0.000 0.000 0.267 152 A C 0.565 178.153 177.584 0.007 0.000 1.290 152 A CA -0.368 51.675 52.037 0.011 0.000 0.928 152 A CB -0.412 18.594 19.000 0.010 0.000 1.066 152 A HN 0.368 nan 8.150 nan 0.000 0.516 153 N N -0.231 118.472 118.700 0.007 0.000 2.746 153 N HA -0.208 4.532 4.740 -0.000 0.000 0.250 153 N C 0.201 175.713 175.510 0.003 0.000 1.055 153 N CA 1.036 54.089 53.050 0.004 0.000 0.699 153 N CB -1.872 36.617 38.487 0.003 0.000 0.919 153 N HN 0.507 nan 8.380 nan 0.000 0.548 154 S N -1.501 114.201 115.700 0.004 0.000 3.490 154 S HA -0.234 4.236 4.470 -0.000 0.000 0.301 154 S C -0.359 174.243 174.600 0.003 0.000 1.233 154 S CA 0.846 59.047 58.200 0.003 0.000 0.914 154 S CB -1.020 62.181 63.200 0.001 0.000 1.047 154 S HN 0.768 nan 8.310 nan 0.000 0.602 155 D N 1.330 121.732 120.400 0.004 0.000 2.441 155 D HA 0.218 4.858 4.640 -0.000 0.000 0.221 155 D C 1.127 177.429 176.300 0.004 0.000 1.156 155 D CA -0.273 53.729 54.000 0.004 0.000 0.896 155 D CB 0.504 41.306 40.800 0.004 0.000 1.028 155 D HN 0.475 nan 8.370 nan 0.000 0.509 156 E N 1.360 121.562 120.200 0.003 0.000 2.130 156 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 156 E C 1.521 178.123 176.600 0.003 0.000 0.998 156 E CA 1.271 57.673 56.400 0.003 0.000 0.806 156 E CB 0.155 29.856 29.700 0.002 0.000 0.738 156 E HN 0.499 nan 8.360 nan 0.000 0.459 157 T N 1.043 115.598 114.554 0.003 0.000 2.699 157 T HA -0.180 4.169 4.350 -0.000 0.000 0.268 157 T C 2.105 176.806 174.700 0.003 0.000 1.036 157 T CA 1.469 63.571 62.100 0.002 0.000 1.147 157 T CB -0.325 68.544 68.868 0.002 0.000 0.862 157 T HN -0.000 nan 8.240 nan 0.000 0.446 158 V N 1.502 121.418 119.914 0.004 0.000 2.216 158 V HA -0.107 4.013 4.120 -0.000 0.000 0.243 158 V C 2.929 179.025 176.094 0.004 0.000 1.044 158 V CA 2.016 64.319 62.300 0.005 0.000 0.995 158 V CB -1.641 30.187 31.823 0.007 0.000 0.633 158 V HN 0.580 nan 8.190 nan 0.000 0.446 159 G N 0.001 108.804 108.800 0.005 0.000 2.663 159 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.222 159 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.222 159 G C 1.633 176.534 174.900 0.002 0.000 1.146 159 G CA 1.814 46.916 45.100 0.004 0.000 0.764 159 G HN 0.544 nan 8.290 nan 0.000 0.608 160 K N 0.059 120.460 120.400 0.002 0.000 2.002 160 K HA 0.029 4.349 4.320 -0.000 0.000 0.209 160 K C 2.640 179.239 176.600 -0.001 0.000 1.048 160 K CA 1.161 57.448 56.287 0.000 0.000 0.930 160 K CB -0.379 32.121 32.500 0.000 0.000 0.714 160 K HN 0.348 nan 8.250 nan 0.000 0.438 161 L N 1.148 122.371 121.223 -0.000 0.000 2.034 161 L HA -0.291 4.049 4.340 -0.000 0.000 0.217 161 L C 2.494 179.362 176.870 -0.004 0.000 1.077 161 L CA 1.615 56.454 54.840 -0.002 0.000 0.769 161 L CB -0.412 41.647 42.059 -0.001 0.000 0.890 161 L HN 0.330 nan 8.230 nan 0.000 0.435 162 I N -0.785 119.783 120.570 -0.003 0.000 2.090 162 I HA -0.331 3.839 4.170 -0.000 0.000 0.236 162 I C 2.809 178.922 176.117 -0.006 0.000 1.064 162 I CA 1.290 62.587 61.300 -0.006 0.000 1.324 162 I CB -0.662 37.336 38.000 -0.003 0.000 1.044 162 I HN 0.249 nan 8.210 nan 0.000 0.399 163 A N 0.581 123.399 122.820 -0.004 0.000 1.915 163 A HA -0.300 4.020 4.320 -0.000 0.000 0.220 163 A C 2.179 179.760 177.584 -0.005 0.000 1.198 163 A CA 2.281 54.316 52.037 -0.004 0.000 0.647 163 A CB -0.876 18.123 19.000 -0.002 0.000 0.825 163 A HN 0.550 nan 8.150 nan 0.000 0.456 164 E N -0.634 119.563 120.200 -0.005 0.000 2.153 164 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 164 E C 2.313 178.908 176.600 -0.007 0.000 0.988 164 E CA 0.836 57.233 56.400 -0.005 0.000 0.811 164 E CB -0.270 29.428 29.700 -0.004 0.000 0.746 164 E HN 0.675 nan 8.360 nan 0.000 0.466 165 A N 1.291 124.106 122.820 -0.008 0.000 1.854 165 A HA -0.138 4.182 4.320 -0.000 0.000 0.214 165 A C 2.178 179.754 177.584 -0.013 0.000 1.192 165 A CA 1.109 53.139 52.037 -0.011 0.000 0.611 165 A CB -0.404 18.588 19.000 -0.014 0.000 0.832 165 A HN 0.102 nan 8.150 nan 0.000 0.442 166 M N -0.820 118.772 119.600 -0.013 0.000 2.213 166 M HA -0.160 4.320 4.480 -0.000 0.000 0.263 166 M C 1.375 177.669 176.300 -0.010 0.000 1.062 166 M CA 1.728 57.020 55.300 -0.013 0.000 1.105 166 M CB -0.582 32.011 32.600 -0.013 0.000 1.385 166 M HN 0.364 nan 8.290 nan 0.000 0.417 167 D N 0.291 120.686 120.400 -0.008 0.000 2.378 167 D HA -0.061 4.579 4.640 -0.000 0.000 0.227 167 D C 1.806 178.102 176.300 -0.007 0.000 1.012 167 D CA 0.753 54.749 54.000 -0.007 0.000 0.905 167 D CB 0.308 41.105 40.800 -0.005 0.000 0.895 167 D HN 0.037 nan 8.370 nan 0.000 0.532 168 K N -0.673 119.722 120.400 -0.008 0.000 2.399 168 K HA 0.115 4.435 4.320 -0.000 0.000 0.196 168 K C 0.884 177.479 176.600 -0.009 0.000 1.103 168 K CA 0.453 56.735 56.287 -0.008 0.000 0.986 168 K CB 1.503 33.998 32.500 -0.009 0.000 0.952 168 K HN 0.152 nan 8.250 nan 0.000 0.541 169 V N -2.990 116.917 119.914 -0.011 0.000 3.261 169 V HA 0.439 4.559 4.120 -0.000 0.000 0.330 169 V C 0.255 176.342 176.094 -0.012 0.000 1.461 169 V CA -0.200 62.093 62.300 -0.011 0.000 1.127 169 V CB 0.081 31.896 31.823 -0.014 0.000 1.044 169 V HN 0.218 nan 8.190 nan 0.000 0.499 170 G N 2.539 111.333 108.800 -0.010 0.000 2.750 170 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.686 170 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.686 170 G C 0.266 175.159 174.900 -0.012 0.000 1.395 170 G CA 0.002 45.096 45.100 -0.010 0.000 0.918 170 G HN 0.796 nan 8.290 nan 0.000 0.594 171 K N 0.351 120.745 120.400 -0.011 0.000 2.633 171 K HA -0.026 4.294 4.320 -0.000 0.000 0.193 171 K C 0.625 177.216 176.600 -0.015 0.000 1.033 171 K CA 1.394 57.673 56.287 -0.013 0.000 0.980 171 K CB 0.376 32.870 32.500 -0.009 0.000 0.800 171 K HN 0.520 nan 8.250 nan 0.000 0.493 172 E N 1.072 121.263 120.200 -0.014 0.000 2.624 172 E HA 0.123 4.473 4.350 -0.000 0.000 0.210 172 E C 0.431 177.021 176.600 -0.017 0.000 0.997 172 E CA -0.095 56.296 56.400 -0.014 0.000 0.999 172 E CB 1.175 30.869 29.700 -0.010 0.000 1.040 172 E HN 0.415 nan 8.360 nan 0.000 0.469 173 G N 0.424 109.212 108.800 -0.020 0.000 2.568 173 G HA2 0.435 4.395 3.960 -0.000 0.000 0.293 173 G HA3 0.435 4.395 3.960 -0.000 0.000 0.293 173 G C -0.054 174.827 174.900 -0.031 0.000 1.347 173 G CA -0.430 44.657 45.100 -0.022 0.000 1.039 173 G HN -0.036 nan 8.290 nan 0.000 0.523 174 V N 0.013 119.909 119.914 -0.031 0.000 2.509 174 V HA 0.579 4.699 4.120 -0.000 0.000 0.284 174 V C -0.107 175.962 176.094 -0.042 0.000 1.047 174 V CA -0.360 61.916 62.300 -0.041 0.000 0.952 174 V CB 0.928 32.728 31.823 -0.037 0.000 0.988 174 V HN 0.485 nan 8.190 nan 0.000 0.469 175 I N 3.059 123.596 120.570 -0.054 0.000 2.571 175 I HA 0.510 4.680 4.170 -0.000 0.000 0.289 175 I C -0.405 175.681 176.117 -0.052 0.000 1.115 175 I CA -0.147 61.124 61.300 -0.049 0.000 1.045 175 I CB 2.484 40.453 38.000 -0.051 0.000 1.238 175 I HN 0.618 nan 8.210 nan 0.000 0.424 176 T N 4.564 119.095 114.554 -0.038 0.000 2.907 176 T HA 0.600 4.950 4.350 -0.000 0.000 0.292 176 T C -0.497 174.191 174.700 -0.020 0.000 1.043 176 T CA -0.723 61.358 62.100 -0.031 0.000 1.003 176 T CB 2.496 71.346 68.868 -0.030 0.000 1.084 176 T HN 0.382 nan 8.240 nan 0.000 0.483 177 V N 0.085 119.992 119.914 -0.012 0.000 2.378 177 V HA 0.637 4.757 4.120 -0.000 0.000 0.288 177 V C -0.176 175.917 176.094 -0.002 0.000 1.016 177 V CA -0.819 61.479 62.300 -0.004 0.000 0.840 177 V CB 0.985 32.810 31.823 0.004 0.000 0.994 177 V HN 0.863 nan 8.190 nan 0.000 0.431 178 E N 2.568 122.766 120.200 -0.004 0.000 2.961 178 E HA 0.423 4.773 4.350 -0.000 0.000 0.254 178 E C -0.921 175.679 176.600 0.000 0.000 1.192 178 E CA -0.929 55.470 56.400 -0.003 0.000 1.069 178 E CB 0.814 30.510 29.700 -0.006 0.000 1.338 178 E HN 0.763 nan 8.360 nan 0.000 0.596 179 D N -0.145 120.255 120.400 -0.000 0.000 2.277 179 D HA 0.284 4.924 4.640 -0.000 0.000 0.250 179 D C -0.149 176.151 176.300 -0.000 0.000 1.032 179 D CA -0.225 53.776 54.000 0.001 0.000 0.947 179 D CB 1.485 42.286 40.800 0.002 0.000 1.159 179 D HN 0.440 nan 8.370 nan 0.000 0.460 180 G N -0.922 107.878 108.800 0.001 0.000 2.539 180 G HA2 0.287 4.247 3.960 -0.000 0.000 0.258 180 G HA3 0.287 4.247 3.960 -0.000 0.000 0.258 180 G C 0.841 175.741 174.900 -0.001 0.000 1.202 180 G CA -0.311 44.789 45.100 -0.000 0.000 0.851 180 G HN 0.447 nan 8.290 nan 0.000 0.556 181 T N -2.693 111.860 114.554 -0.001 0.000 3.069 181 T HA 0.467 4.817 4.350 -0.000 0.000 0.252 181 T C 0.984 175.683 174.700 -0.001 0.000 1.053 181 T CA 0.516 62.615 62.100 -0.001 0.000 0.964 181 T CB 0.345 69.212 68.868 -0.002 0.000 1.005 181 T HN 2.001 nan 8.240 nan 0.000 0.532 182 G N 1.992 110.792 108.800 -0.000 0.000 2.314 182 G HA2 0.307 4.267 3.960 -0.000 0.000 0.286 182 G HA3 0.307 4.267 3.960 -0.000 0.000 0.286 182 G C -0.576 174.324 174.900 -0.000 0.000 1.270 182 G CA -0.616 44.484 45.100 -0.000 0.000 1.277 182 G HN 0.623 nan 8.290 nan 0.000 0.635 183 L N -0.013 121.210 121.223 0.000 0.000 0.611 183 L HA -0.183 4.157 4.340 -0.000 0.000 0.356 183 L C 0.467 177.337 176.870 -0.000 0.000 1.007 183 L CA 2.313 57.153 54.840 0.000 0.000 1.222 183 L CB -0.319 41.740 42.059 0.000 0.000 0.016 183 L HN 1.793 nan 8.230 nan 0.000 0.101 184 Q N 1.559 121.359 119.800 -0.000 0.000 2.486 184 Q HA -0.124 4.216 4.340 -0.000 0.000 0.277 184 Q C -0.605 175.395 176.000 -0.001 0.000 1.324 184 Q CA 1.027 56.830 55.803 -0.000 0.000 0.738 184 Q CB -0.588 28.149 28.738 -0.001 0.000 0.849 184 Q HN 0.597 nan 8.270 nan 0.000 0.311 185 D N 3.342 123.742 120.400 -0.001 0.000 2.455 185 D HA 0.034 4.674 4.640 -0.000 0.000 0.241 185 D C 0.308 176.607 176.300 -0.002 0.000 1.138 185 D CA 0.769 54.769 54.000 -0.001 0.000 0.877 185 D CB 0.714 41.514 40.800 -0.001 0.000 1.187 185 D HN 0.309 nan 8.370 nan 0.000 0.451 186 E N 0.297 120.495 120.200 -0.003 0.000 2.221 186 E HA 0.595 4.945 4.350 -0.000 0.000 0.268 186 E C -0.906 175.691 176.600 -0.005 0.000 0.933 186 E CA -0.991 55.407 56.400 -0.004 0.000 0.809 186 E CB 2.266 31.964 29.700 -0.004 0.000 1.190 186 E HN 0.123 nan 8.360 nan 0.000 0.406 187 L N 2.862 124.082 121.223 -0.005 0.000 2.543 187 L HA 0.415 4.755 4.340 -0.000 0.000 0.265 187 L C -2.152 174.714 176.870 -0.007 0.000 0.945 187 L CA -0.243 54.593 54.840 -0.006 0.000 0.869 187 L CB 1.734 43.789 42.059 -0.006 0.000 1.294 187 L HN 0.617 nan 8.230 nan 0.000 0.405 188 D N 3.448 123.843 120.400 -0.008 0.000 2.622 188 D HA 0.449 5.089 4.640 -0.000 0.000 0.255 188 D C -1.384 174.911 176.300 -0.009 0.000 1.246 188 D CA -0.421 53.574 54.000 -0.008 0.000 0.795 188 D CB 2.065 42.861 40.800 -0.007 0.000 1.369 188 D HN 0.300 nan 8.370 nan 0.000 0.425 189 V N 0.222 120.131 119.914 -0.008 0.000 2.435 189 V HA 0.597 4.717 4.120 -0.000 0.000 0.290 189 V C 0.303 176.392 176.094 -0.008 0.000 1.030 189 V CA -0.679 61.616 62.300 -0.009 0.000 0.881 189 V CB 1.292 33.110 31.823 -0.008 0.000 0.983 189 V HN 0.608 nan 8.190 nan 0.000 0.445 190 V N 1.133 121.042 119.914 -0.009 0.000 2.962 190 V HA 0.653 4.773 4.120 -0.000 0.000 0.313 190 V C -0.318 175.772 176.094 -0.007 0.000 1.099 190 V CA -1.005 61.290 62.300 -0.008 0.000 0.971 190 V CB 2.165 33.981 31.823 -0.010 0.000 1.028 190 V HN 0.714 nan 8.190 nan 0.000 0.430 191 E N 2.477 122.675 120.200 -0.004 0.000 2.341 191 E HA 0.464 4.814 4.350 -0.000 0.000 0.256 191 E C 0.357 176.957 176.600 0.001 0.000 1.125 191 E CA 0.848 57.247 56.400 -0.000 0.000 0.939 191 E CB 0.765 30.466 29.700 0.001 0.000 0.991 191 E HN 1.101 nan 8.360 nan 0.000 0.458 192 G N 1.682 110.484 108.800 0.003 0.000 2.911 192 G HA2 0.749 4.709 3.960 -0.000 0.000 0.299 192 G HA3 0.749 4.709 3.960 -0.000 0.000 0.299 192 G C -0.928 173.982 174.900 0.016 0.000 1.283 192 G CA -0.553 44.550 45.100 0.005 0.000 0.805 192 G HN 0.416 nan 8.290 nan 0.000 0.548 193 M N -0.889 118.720 119.600 0.016 0.000 2.895 193 M HA 0.525 5.005 4.480 -0.000 0.000 0.271 193 M C -2.456 173.846 176.300 0.002 0.000 1.174 193 M CA -0.624 54.700 55.300 0.039 0.000 0.816 193 M CB 2.381 35.040 32.600 0.100 0.000 1.647 193 M HN 0.638 nan 8.290 nan 0.000 0.506 194 Q N 2.698 122.508 119.800 0.018 0.000 2.281 194 Q HA 0.544 4.884 4.340 -0.000 0.000 0.263 194 Q C -2.257 173.744 176.000 0.003 0.000 0.989 194 Q CA -0.519 55.222 55.803 -0.102 0.000 0.852 194 Q CB 1.879 30.557 28.738 -0.100 0.000 1.337 194 Q HN 0.585 nan 8.270 nan 0.000 0.418 195 F N -0.022 119.920 119.950 -0.013 0.000 2.579 195 F HA 0.547 5.074 4.527 -0.000 0.000 0.324 195 F C 0.104 175.897 175.800 -0.011 0.000 1.058 195 F CA -1.135 56.860 58.000 -0.008 0.000 0.944 195 F CB 0.981 39.979 39.000 -0.003 0.000 1.245 195 F HN 0.288 nan 8.300 nan 0.000 0.477 196 D N 2.464 122.993 120.400 0.216 0.000 2.982 196 D HA 0.090 4.730 4.640 -0.000 0.000 0.238 196 D C -0.168 176.213 176.300 0.135 0.000 1.168 196 D CA 0.350 54.417 54.000 0.112 0.000 0.947 196 D CB -0.051 40.801 40.800 0.087 0.000 1.147 196 D HN 0.244 nan 8.370 nan 0.000 0.450 197 R N -0.042 120.560 120.500 0.171 0.000 2.686 197 R HA 0.596 4.936 4.340 -0.000 0.000 0.286 197 R C 0.364 176.672 176.300 0.014 0.000 0.969 197 R CA -0.720 55.475 56.100 0.157 0.000 0.898 197 R CB 2.185 32.698 30.300 0.355 0.000 1.183 197 R HN 0.102 nan 8.270 nan 0.000 0.456 198 G N 0.853 109.629 108.800 -0.040 0.000 2.667 198 G HA2 0.454 4.414 3.960 -0.000 0.000 0.310 198 G HA3 0.454 4.414 3.960 -0.000 0.000 0.310 198 G C -0.755 174.101 174.900 -0.072 0.000 1.259 198 G CA -0.568 44.422 45.100 -0.183 0.000 1.019 198 G HN 0.434 nan 8.290 nan 0.000 0.496 199 Y N -0.830 119.493 120.300 0.038 0.000 2.652 199 Y HA 0.269 4.819 4.550 -0.000 0.000 0.344 199 Y C 1.339 177.304 175.900 0.109 0.000 1.254 199 Y CA -1.021 57.114 58.100 0.058 0.000 1.480 199 Y CB 0.186 38.719 38.460 0.121 0.000 1.345 199 Y HN 0.213 nan 8.280 nan 0.000 0.617 200 L N 1.261 122.731 121.223 0.412 0.000 2.240 200 L HA 0.058 4.398 4.340 -0.000 0.000 0.211 200 L C 0.517 177.598 176.870 0.352 0.000 1.106 200 L CA 1.162 56.206 54.840 0.340 0.000 0.793 200 L CB -0.448 41.780 42.059 0.282 0.000 0.927 200 L HN 0.839 nan 8.230 nan 0.000 0.446 201 S N -3.106 112.827 115.700 0.390 0.000 2.552 201 S HA 0.486 4.956 4.470 -0.000 0.000 0.272 201 S C -2.758 171.690 174.600 -0.253 0.000 1.150 201 S CA -1.200 57.046 58.200 0.077 0.000 0.849 201 S CB 2.050 65.274 63.200 0.041 0.000 1.113 201 S HN -0.286 nan 8.310 nan 0.000 0.458 202 P HA 0.213 nan 4.420 nan 0.000 0.317 202 P C 0.256 177.240 177.300 -0.526 0.000 1.427 202 P CA 0.550 63.166 63.100 -0.807 0.000 0.820 202 P CB -0.156 31.071 31.700 -0.787 0.000 1.894 203 Y N -4.538 115.585 120.300 -0.295 0.000 2.843 203 Y HA -0.313 4.237 4.550 -0.000 0.000 0.492 203 Y C 1.959 177.734 175.900 -0.208 0.000 1.055 203 Y CA 1.482 59.422 58.100 -0.267 0.000 2.997 203 Y CB -3.172 35.075 38.460 -0.355 0.000 0.837 203 Y HN 0.082 nan 8.280 nan 0.000 0.553 204 F N 0.463 120.423 119.950 0.017 0.000 2.236 204 F HA -0.122 4.405 4.527 -0.000 0.000 0.302 204 F C 1.500 177.301 175.800 0.002 0.000 1.073 204 F CA 0.966 58.974 58.000 0.014 0.000 1.336 204 F CB -0.750 38.255 39.000 0.008 0.000 1.040 204 F HN -0.011 nan 8.300 nan 0.000 0.507 205 I N 2.489 123.131 120.570 0.119 0.000 2.943 205 I HA -0.222 3.948 4.170 -0.000 0.000 0.296 205 I C 0.755 176.918 176.117 0.077 0.000 1.220 205 I CA 0.525 61.867 61.300 0.070 0.000 1.409 205 I CB -0.118 37.872 38.000 -0.016 0.000 1.374 205 I HN 0.236 nan 8.210 nan 0.000 0.545 206 N N 4.847 123.596 118.700 0.082 0.000 2.184 206 N HA 0.070 4.810 4.740 -0.000 0.000 0.206 206 N C -0.021 175.519 175.510 0.050 0.000 1.151 206 N CA -0.132 52.957 53.050 0.066 0.000 0.878 206 N CB 0.477 39.005 38.487 0.069 0.000 1.014 206 N HN 0.484 nan 8.380 nan 0.000 0.512 207 K N 1.143 121.573 120.400 0.051 0.000 2.842 207 K HA 0.245 4.565 4.320 -0.000 0.000 0.176 207 K C -2.153 174.471 176.600 0.040 0.000 1.080 207 K CA -1.556 54.756 56.287 0.042 0.000 0.954 207 K CB 1.877 34.402 32.500 0.041 0.000 1.203 207 K HN 0.000 nan 8.250 nan 0.000 0.611 208 P HA -0.173 nan 4.420 nan 0.000 0.231 208 P C 0.205 177.518 177.300 0.022 0.000 1.154 208 P CA 1.088 64.203 63.100 0.025 0.000 0.762 208 P CB 0.504 32.215 31.700 0.019 0.000 0.790 209 E N -0.141 120.073 120.200 0.023 0.000 2.021 209 E HA -0.074 4.276 4.350 -0.000 0.000 0.189 209 E C 2.062 178.673 176.600 0.018 0.000 0.980 209 E CA 1.692 58.102 56.400 0.018 0.000 0.803 209 E CB -0.919 28.792 29.700 0.018 0.000 0.766 209 E HN 0.195 nan 8.360 nan 0.000 0.449 210 T N -1.269 113.302 114.554 0.028 0.000 2.942 210 T HA 0.110 4.460 4.350 -0.000 0.000 0.265 210 T C 1.350 176.076 174.700 0.043 0.000 1.062 210 T CA 0.906 63.025 62.100 0.032 0.000 1.139 210 T CB 0.014 68.907 68.868 0.042 0.000 0.883 210 T HN 0.421 nan 8.240 nan 0.000 0.468 211 G N 1.072 109.906 108.800 0.056 0.000 2.130 211 G HA2 0.106 4.066 3.960 -0.000 0.000 0.216 211 G HA3 0.106 4.066 3.960 -0.000 0.000 0.216 211 G C 0.038 175.027 174.900 0.148 0.000 0.999 211 G CA -0.050 45.099 45.100 0.081 0.000 0.686 211 G HN 0.908 nan 8.290 nan 0.000 0.515 212 A N -1.546 121.350 122.820 0.127 0.000 2.486 212 A HA 0.991 5.311 4.320 -0.000 0.000 0.277 212 A C -0.278 177.388 177.584 0.137 0.000 1.282 212 A CA -0.133 52.006 52.037 0.169 0.000 0.784 212 A CB 1.622 20.688 19.000 0.109 0.000 1.350 212 A HN 1.250 nan 8.150 nan 0.000 0.454 213 V N 0.218 120.216 119.914 0.140 0.000 2.769 213 V HA 0.669 4.789 4.120 -0.000 0.000 0.312 213 V C -0.325 175.806 176.094 0.062 0.000 1.058 213 V CA -0.428 61.937 62.300 0.108 0.000 0.952 213 V CB 1.640 33.540 31.823 0.128 0.000 1.019 213 V HN 0.908 nan 8.190 nan 0.000 0.445 214 E N 2.779 123.009 120.200 0.050 0.000 2.278 214 E HA 0.618 4.968 4.350 -0.000 0.000 0.272 214 E C -2.026 174.588 176.600 0.024 0.000 0.890 214 E CA -0.537 55.880 56.400 0.028 0.000 0.770 214 E CB 1.698 31.413 29.700 0.025 0.000 1.212 214 E HN 0.624 nan 8.360 nan 0.000 0.415 215 L N 3.394 124.623 121.223 0.010 0.000 2.381 215 L HA 0.521 4.861 4.340 -0.000 0.000 0.274 215 L C -0.439 176.424 176.870 -0.011 0.000 0.988 215 L CA -0.875 53.968 54.840 0.006 0.000 0.824 215 L CB 2.012 44.075 42.059 0.008 0.000 1.263 215 L HN 0.476 nan 8.230 nan 0.000 0.410 216 E N 1.490 121.681 120.200 -0.015 0.000 2.156 216 E HA 0.304 4.654 4.350 -0.000 0.000 0.279 216 E C -0.159 176.406 176.600 -0.059 0.000 0.965 216 E CA -0.539 55.843 56.400 -0.031 0.000 0.789 216 E CB 1.567 31.254 29.700 -0.021 0.000 1.098 216 E HN 0.635 nan 8.360 nan 0.000 0.397 217 S N 1.715 117.366 115.700 -0.081 0.000 3.614 217 S HA -0.123 4.347 4.470 -0.000 0.000 0.360 217 S C -2.033 172.436 174.600 -0.218 0.000 1.023 217 S CA 0.411 58.527 58.200 -0.140 0.000 1.114 217 S CB -1.337 61.785 63.200 -0.131 0.000 0.907 217 S HN 0.516 nan 8.310 nan 0.000 0.470 218 P HA 0.551 nan 4.420 nan 0.000 0.279 218 P C -0.120 177.044 177.300 -0.226 0.000 1.276 218 P CA -0.604 62.406 63.100 -0.150 0.000 0.801 218 P CB 0.539 32.220 31.700 -0.032 0.000 1.127 219 F N -0.558 119.399 119.950 0.011 0.000 2.432 219 F HA 0.479 5.006 4.527 -0.000 0.000 0.329 219 F C 0.737 176.544 175.800 0.012 0.000 1.076 219 F CA -0.452 57.555 58.000 0.012 0.000 1.018 219 F CB 0.908 39.915 39.000 0.012 0.000 1.201 219 F HN 0.045 nan 8.300 nan 0.000 0.489 220 I N 3.119 123.831 120.570 0.237 0.000 2.569 220 I HA 0.389 4.559 4.170 -0.000 0.000 0.296 220 I C -1.432 174.748 176.117 0.106 0.000 1.028 220 I CA -1.123 60.257 61.300 0.133 0.000 1.082 220 I CB 2.097 40.156 38.000 0.099 0.000 1.264 220 I HN 0.234 nan 8.210 nan 0.000 0.429 221 L N 6.825 128.091 121.223 0.071 0.000 2.298 221 L HA 0.524 4.864 4.340 -0.000 0.000 0.284 221 L C -1.093 175.796 176.870 0.032 0.000 1.013 221 L CA -0.188 54.678 54.840 0.044 0.000 0.824 221 L CB 0.972 43.050 42.059 0.032 0.000 1.221 221 L HN 0.471 nan 8.230 nan 0.000 0.418 222 L N 6.131 127.369 121.223 0.024 0.000 2.301 222 L HA 0.795 5.135 4.340 -0.000 0.000 0.278 222 L C -0.274 176.598 176.870 0.003 0.000 1.022 222 L CA -0.427 54.419 54.840 0.010 0.000 0.854 222 L CB 1.182 43.246 42.059 0.009 0.000 1.226 222 L HN 0.779 nan 8.230 nan 0.000 0.429 223 A N 1.841 124.661 122.820 0.001 0.000 2.381 223 A HA 0.441 4.761 4.320 -0.000 0.000 0.299 223 A C -1.048 176.535 177.584 -0.002 0.000 1.049 223 A CA -0.585 51.452 52.037 0.001 0.000 0.715 223 A CB 1.448 20.451 19.000 0.005 0.000 1.222 223 A HN 0.640 nan 8.150 nan 0.000 0.428 224 D N 2.545 122.942 120.400 -0.004 0.000 2.422 224 D HA 0.483 5.123 4.640 -0.000 0.000 0.227 224 D C -0.043 176.259 176.300 0.003 0.000 1.190 224 D CA 0.428 54.425 54.000 -0.004 0.000 0.905 224 D CB -0.295 40.500 40.800 -0.008 0.000 1.034 224 D HN 0.702 nan 8.370 nan 0.000 0.507 225 K N 0.718 121.122 120.400 0.008 0.000 3.663 225 K HA 0.129 4.449 4.320 -0.000 0.000 0.413 225 K C -1.404 175.207 176.600 0.018 0.000 1.089 225 K CA -1.129 55.166 56.287 0.013 0.000 0.860 225 K CB 0.247 32.753 32.500 0.011 0.000 1.492 225 K HN 0.022 nan 8.250 nan 0.000 0.517 226 K N 0.862 121.275 120.400 0.021 0.000 2.118 226 K HA 0.515 4.835 4.320 -0.000 0.000 0.264 226 K C -0.501 176.114 176.600 0.025 0.000 1.000 226 K CA -0.632 55.670 56.287 0.025 0.000 0.929 226 K CB 0.888 33.404 32.500 0.026 0.000 1.021 226 K HN 0.378 nan 8.250 nan 0.000 0.463 227 I N 1.670 122.259 120.570 0.030 0.000 2.439 227 I HA 0.100 4.270 4.170 -0.000 0.000 0.283 227 I C 0.153 176.292 176.117 0.035 0.000 1.023 227 I CA -0.110 61.209 61.300 0.031 0.000 1.100 227 I CB 1.905 39.925 38.000 0.034 0.000 1.238 227 I HN 0.623 nan 8.210 nan 0.000 0.445 228 S N 2.820 118.538 115.700 0.030 0.000 2.807 228 S HA 0.172 4.642 4.470 -0.000 0.000 0.247 228 S C 0.726 175.342 174.600 0.026 0.000 1.078 228 S CA -0.121 58.096 58.200 0.030 0.000 0.867 228 S CB 0.284 63.499 63.200 0.025 0.000 0.797 228 S HN 0.575 nan 8.310 nan 0.000 0.515 229 N N 2.910 121.623 118.700 0.022 0.000 2.399 229 N HA 0.183 4.923 4.740 -0.000 0.000 0.259 229 N C 0.681 176.202 175.510 0.019 0.000 1.160 229 N CA 0.024 53.085 53.050 0.018 0.000 0.946 229 N CB 0.847 39.343 38.487 0.014 0.000 1.156 229 N HN 0.335 nan 8.380 nan 0.000 0.489 230 I N 3.250 123.833 120.570 0.021 0.000 2.423 230 I HA -0.296 3.874 4.170 -0.000 0.000 0.254 230 I C 1.904 178.031 176.117 0.016 0.000 1.151 230 I CA 1.186 62.499 61.300 0.022 0.000 1.421 230 I CB 0.204 38.218 38.000 0.022 0.000 1.079 230 I HN 0.429 nan 8.210 nan 0.000 0.431 231 R N 0.823 121.331 120.500 0.013 0.000 2.119 231 R HA -0.242 4.098 4.340 -0.000 0.000 0.246 231 R C 1.946 178.251 176.300 0.007 0.000 1.146 231 R CA 2.160 58.265 56.100 0.009 0.000 0.962 231 R CB -0.480 29.825 30.300 0.007 0.000 0.863 231 R HN 0.573 nan 8.270 nan 0.000 0.442 232 E N -0.179 120.026 120.200 0.009 0.000 2.265 232 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 232 E C 1.913 178.516 176.600 0.005 0.000 0.996 232 E CA 0.859 57.263 56.400 0.007 0.000 0.832 232 E CB 0.024 29.730 29.700 0.009 0.000 0.756 232 E HN 0.271 nan 8.360 nan 0.000 0.491 233 M N 0.208 119.813 119.600 0.009 0.000 2.115 233 M HA -0.052 4.428 4.480 -0.000 0.000 0.261 233 M C 2.406 178.707 176.300 0.001 0.000 1.079 233 M CA 1.096 56.401 55.300 0.008 0.000 1.143 233 M CB -1.041 31.570 32.600 0.018 0.000 1.332 233 M HN 0.141 nan 8.290 nan 0.000 0.421 234 L N 0.599 121.824 121.223 0.003 0.000 2.143 234 L HA -0.283 4.057 4.340 -0.000 0.000 0.231 234 L C -0.439 176.425 176.870 -0.009 0.000 1.106 234 L CA 2.062 56.902 54.840 -0.001 0.000 0.827 234 L CB -2.847 39.212 42.059 0.000 0.000 0.915 234 L HN 0.221 nan 8.230 nan 0.000 0.448 235 P HA -0.108 nan 4.420 nan 0.000 0.226 235 P C 1.387 178.668 177.300 -0.032 0.000 1.146 235 P CA 1.364 64.452 63.100 -0.019 0.000 0.773 235 P CB 0.211 31.901 31.700 -0.016 0.000 0.772 236 V N -1.296 118.598 119.914 -0.032 0.000 3.359 236 V HA 0.070 4.190 4.120 -0.000 0.000 0.245 236 V C 2.456 178.520 176.094 -0.050 0.000 1.247 236 V CA 0.244 62.512 62.300 -0.053 0.000 1.145 236 V CB -0.512 31.282 31.823 -0.048 0.000 0.906 236 V HN -0.043 nan 8.190 nan 0.000 0.464 237 L N 0.268 121.478 121.223 -0.023 0.000 2.362 237 L HA -0.070 4.270 4.340 -0.000 0.000 0.219 237 L C 2.233 179.097 176.870 -0.010 0.000 1.134 237 L CA 1.470 56.305 54.840 -0.007 0.000 0.807 237 L CB -0.181 41.884 42.059 0.010 0.000 0.927 237 L HN 0.467 nan 8.230 nan 0.000 0.447 238 E N -0.472 119.716 120.200 -0.020 0.000 2.251 238 E HA 0.038 4.388 4.350 -0.000 0.000 0.194 238 E C 2.124 178.705 176.600 -0.032 0.000 0.964 238 E CA 0.620 57.010 56.400 -0.017 0.000 0.868 238 E CB 0.143 29.835 29.700 -0.013 0.000 0.828 238 E HN 0.388 nan 8.360 nan 0.000 0.481 239 A N 0.961 123.746 122.820 -0.057 0.000 2.168 239 A HA -0.018 4.302 4.320 -0.000 0.000 0.215 239 A C 1.981 179.491 177.584 -0.124 0.000 1.152 239 A CA 0.644 52.630 52.037 -0.086 0.000 0.716 239 A CB 0.097 19.030 19.000 -0.110 0.000 0.794 239 A HN 0.077 nan 8.150 nan 0.000 0.465 240 V N -1.250 118.603 119.914 -0.102 0.000 3.621 240 V HA 0.143 4.263 4.120 -0.000 0.000 0.285 240 V C 2.309 178.413 176.094 0.017 0.000 1.346 240 V CA 0.831 63.081 62.300 -0.083 0.000 1.104 240 V CB 0.038 31.816 31.823 -0.075 0.000 0.913 240 V HN 0.532 nan 8.190 nan 0.000 0.432 241 A N -0.279 122.547 122.820 0.009 0.000 1.975 241 A HA 0.087 4.407 4.320 -0.000 0.000 0.215 241 A C 1.437 179.043 177.584 0.036 0.000 1.170 241 A CA 0.700 52.754 52.037 0.028 0.000 0.656 241 A CB 0.028 19.038 19.000 0.017 0.000 0.821 241 A HN 0.453 nan 8.150 nan 0.000 0.449 242 K N -2.136 118.279 120.400 0.024 0.000 2.118 242 K HA 0.435 4.755 4.320 -0.000 0.000 0.240 242 K C 1.067 177.710 176.600 0.071 0.000 1.035 242 K CA 0.299 56.606 56.287 0.033 0.000 0.899 242 K CB 0.328 32.837 32.500 0.014 0.000 1.085 242 K HN 0.595 nan 8.250 nan 0.000 0.498 243 A N 0.305 123.174 122.820 0.080 0.000 4.115 243 A HA -0.241 4.079 4.320 -0.000 0.000 0.268 243 A C 1.208 178.867 177.584 0.124 0.000 0.917 243 A CA 1.803 53.915 52.037 0.126 0.000 1.090 243 A CB -2.442 16.694 19.000 0.227 0.000 1.067 243 A HN 1.391 nan 8.150 nan 0.000 0.828 244 G N -1.245 107.618 108.800 0.104 0.000 2.321 244 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.287 244 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.287 244 G C -0.016 174.940 174.900 0.094 0.000 1.018 244 G CA 1.520 46.671 45.100 0.085 0.000 0.855 244 G HN 1.171 nan 8.290 nan 0.000 0.507 245 K N 0.730 121.224 120.400 0.157 0.000 2.164 245 K HA 0.520 4.840 4.320 -0.000 0.000 0.258 245 K C -2.008 174.695 176.600 0.172 0.000 0.951 245 K CA -1.996 54.366 56.287 0.125 0.000 0.844 245 K CB 2.351 34.877 32.500 0.043 0.000 1.099 245 K HN 0.069 nan 8.250 nan 0.000 0.435 246 P HA 0.121 nan 4.420 nan 0.000 0.274 246 P C -1.125 176.267 177.300 0.153 0.000 1.260 246 P CA -0.524 62.642 63.100 0.110 0.000 0.793 246 P CB 0.647 32.387 31.700 0.067 0.000 1.048 247 L N 0.267 121.564 121.223 0.124 0.000 2.401 247 L HA 0.565 4.905 4.340 -0.000 0.000 0.266 247 L C -1.420 175.489 176.870 0.066 0.000 0.991 247 L CA -1.040 53.878 54.840 0.131 0.000 0.818 247 L CB 1.700 43.832 42.059 0.121 0.000 1.321 247 L HN 0.176 nan 8.230 nan 0.000 0.413 248 L N 5.091 126.353 121.223 0.065 0.000 2.329 248 L HA 0.665 5.005 4.340 -0.000 0.000 0.279 248 L C -1.220 175.667 176.870 0.028 0.000 1.014 248 L CA -0.231 54.622 54.840 0.021 0.000 0.814 248 L CB 1.445 43.524 42.059 0.033 0.000 1.257 248 L HN 0.429 nan 8.230 nan 0.000 0.424 249 I N 6.791 127.359 120.570 -0.004 0.000 2.362 249 I HA 0.381 4.551 4.170 -0.000 0.000 0.289 249 I C -0.396 175.735 176.117 0.024 0.000 0.994 249 I CA -0.285 61.022 61.300 0.012 0.000 1.158 249 I CB 1.234 39.236 38.000 0.005 0.000 1.315 249 I HN 0.533 nan 8.210 nan 0.000 0.451 250 I N 5.730 126.320 120.570 0.033 0.000 2.439 250 I HA 0.677 4.847 4.170 -0.000 0.000 0.283 250 I C -0.028 176.094 176.117 0.008 0.000 1.023 250 I CA -0.240 61.077 61.300 0.028 0.000 1.100 250 I CB 1.769 39.786 38.000 0.028 0.000 1.238 250 I HN 0.707 nan 8.210 nan 0.000 0.445 251 A N 4.325 127.150 122.820 0.009 0.000 2.588 251 A HA 0.424 4.744 4.320 -0.000 0.000 0.290 251 A C 0.620 178.210 177.584 0.009 0.000 1.136 251 A CA -0.541 51.500 52.037 0.006 0.000 0.681 251 A CB 1.404 20.413 19.000 0.017 0.000 1.282 251 A HN 0.711 nan 8.150 nan 0.000 0.421 252 E N -0.585 119.622 120.200 0.012 0.000 2.147 252 E HA -0.148 4.202 4.350 -0.000 0.000 0.199 252 E C 0.118 176.736 176.600 0.030 0.000 1.005 252 E CA 2.103 58.515 56.400 0.020 0.000 0.810 252 E CB 0.074 29.788 29.700 0.023 0.000 0.736 252 E HN 0.639 nan 8.360 nan 0.000 0.460 253 D N -3.100 117.321 120.400 0.034 0.000 2.940 253 D HA 0.107 4.747 4.640 -0.000 0.000 0.304 253 D C -2.080 174.250 176.300 0.049 0.000 1.255 253 D CA -0.363 53.664 54.000 0.045 0.000 0.734 253 D CB 0.986 41.813 40.800 0.044 0.000 1.261 253 D HN -0.136 nan 8.370 nan 0.000 0.436 254 V N 1.495 121.446 119.914 0.061 0.000 2.610 254 V HA 0.429 4.549 4.120 -0.000 0.000 0.298 254 V C -0.564 175.573 176.094 0.071 0.000 1.067 254 V CA -0.684 61.656 62.300 0.068 0.000 0.894 254 V CB 1.599 33.473 31.823 0.085 0.000 1.015 254 V HN 0.444 nan 8.190 nan 0.000 0.432 255 E N 2.389 122.624 120.200 0.057 0.000 2.250 255 E HA 0.467 4.817 4.350 -0.000 0.000 0.269 255 E C 1.416 178.047 176.600 0.051 0.000 1.018 255 E CA -0.154 56.278 56.400 0.052 0.000 0.873 255 E CB 1.649 31.373 29.700 0.040 0.000 1.134 255 E HN 0.777 nan 8.360 nan 0.000 0.403 256 G N 1.628 110.456 108.800 0.047 0.000 3.437 256 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.238 256 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.238 256 G C 1.220 176.141 174.900 0.035 0.000 1.054 256 G CA 1.666 46.790 45.100 0.040 0.000 0.704 256 G HN 0.540 nan 8.290 nan 0.000 0.713 257 E N 0.710 120.931 120.200 0.034 0.000 2.002 257 E HA 0.139 4.489 4.350 -0.000 0.000 0.196 257 E C 2.941 179.562 176.600 0.035 0.000 0.974 257 E CA 0.951 57.368 56.400 0.029 0.000 0.853 257 E CB -0.854 28.861 29.700 0.025 0.000 0.808 257 E HN 0.327 nan 8.360 nan 0.000 0.492 258 A N 1.033 123.877 122.820 0.041 0.000 2.234 258 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 258 A C 2.078 179.705 177.584 0.072 0.000 1.167 258 A CA 1.151 53.218 52.037 0.050 0.000 0.698 258 A CB -0.468 18.561 19.000 0.048 0.000 0.779 258 A HN 0.327 nan 8.150 nan 0.000 0.475 259 L N -0.578 120.691 121.223 0.077 0.000 2.013 259 L HA 0.202 4.542 4.340 -0.000 0.000 0.204 259 L C 2.515 179.432 176.870 0.078 0.000 1.081 259 L CA 2.121 57.026 54.840 0.108 0.000 0.751 259 L CB -1.016 41.106 42.059 0.105 0.000 0.901 259 L HN 0.226 nan 8.230 nan 0.000 0.440 260 A N -1.673 121.174 122.820 0.044 0.000 2.234 260 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 260 A C 2.055 179.637 177.584 -0.005 0.000 1.167 260 A CA 1.888 53.930 52.037 0.008 0.000 0.698 260 A CB -1.067 17.936 19.000 0.005 0.000 0.779 260 A HN 0.601 nan 8.150 nan 0.000 0.475 261 T N -0.100 114.466 114.554 0.021 0.000 2.814 261 T HA 0.055 4.405 4.350 -0.000 0.000 0.254 261 T C 1.756 176.472 174.700 0.026 0.000 1.037 261 T CA 1.169 63.280 62.100 0.018 0.000 1.143 261 T CB -0.240 68.646 68.868 0.030 0.000 0.866 261 T HN 0.411 nan 8.240 nan 0.000 0.431 262 L N 1.118 122.382 121.223 0.069 0.000 2.156 262 L HA 0.000 4.340 4.340 -0.000 0.000 0.208 262 L C 2.532 179.437 176.870 0.058 0.000 1.095 262 L CA 0.592 55.501 54.840 0.115 0.000 0.770 262 L CB -0.721 41.472 42.059 0.224 0.000 0.914 262 L HN 0.114 nan 8.230 nan 0.000 0.439 263 V N -0.430 119.459 119.914 -0.041 0.000 2.688 263 V HA -0.212 3.908 4.120 -0.000 0.000 0.256 263 V C 2.143 178.111 176.094 -0.209 0.000 1.084 263 V CA 1.320 63.471 62.300 -0.247 0.000 1.103 263 V CB -0.180 31.517 31.823 -0.210 0.000 0.688 263 V HN 0.269 nan 8.190 nan 0.000 0.480 264 V N -1.003 118.840 119.914 -0.118 0.000 2.922 264 V HA -0.013 4.107 4.120 -0.000 0.000 0.242 264 V C 1.911 177.968 176.094 -0.061 0.000 1.094 264 V CA 1.104 63.337 62.300 -0.113 0.000 1.106 264 V CB -0.477 31.290 31.823 -0.092 0.000 0.799 264 V HN 0.499 nan 8.190 nan 0.000 0.474 265 N N 0.977 119.665 118.700 -0.021 0.000 2.084 265 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 265 N C 1.782 177.302 175.510 0.016 0.000 1.030 265 N CA 1.896 54.949 53.050 0.004 0.000 0.849 265 N CB -0.041 38.461 38.487 0.026 0.000 1.012 265 N HN 0.588 nan 8.380 nan 0.000 0.423 266 T N -1.657 112.921 114.554 0.040 0.000 3.194 266 T HA 0.068 4.418 4.350 -0.000 0.000 0.251 266 T C 1.412 176.127 174.700 0.026 0.000 1.132 266 T CA 0.136 62.273 62.100 0.062 0.000 1.028 266 T CB 0.103 69.056 68.868 0.141 0.000 0.976 266 T HN 0.032 nan 8.240 nan 0.000 0.535 267 M N 0.668 120.254 119.600 -0.024 0.000 2.447 267 M HA 0.389 4.869 4.480 -0.000 0.000 0.266 267 M C 2.156 178.432 176.300 -0.040 0.000 1.120 267 M CA 1.049 56.314 55.300 -0.059 0.000 1.166 267 M CB 0.108 32.629 32.600 -0.132 0.000 1.349 267 M HN 0.061 nan 8.290 nan 0.000 0.463 268 R N -0.539 119.943 120.500 -0.029 0.000 2.297 268 R HA 0.293 4.633 4.340 -0.000 0.000 0.197 268 R C 0.874 177.172 176.300 -0.003 0.000 0.943 268 R CA 0.711 56.799 56.100 -0.020 0.000 1.038 268 R CB 0.086 30.374 30.300 -0.020 0.000 0.957 268 R HN 0.599 nan 8.270 nan 0.000 0.484 269 G N 1.123 109.927 108.800 0.007 0.000 2.148 269 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.203 269 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.203 269 G C 0.115 175.029 174.900 0.023 0.000 0.993 269 G CA -0.536 44.575 45.100 0.018 0.000 0.661 269 G HN 0.209 nan 8.290 nan 0.000 0.518 270 I N 1.902 122.485 120.570 0.022 0.000 2.256 270 I HA 0.385 4.555 4.170 -0.000 0.000 0.294 270 I C 0.818 176.958 176.117 0.039 0.000 1.127 270 I CA -0.781 60.534 61.300 0.025 0.000 1.247 270 I CB 0.634 38.644 38.000 0.017 0.000 1.460 270 I HN 0.097 nan 8.210 nan 0.000 0.511 271 V N 4.683 124.624 119.914 0.046 0.000 3.814 271 V HA -0.240 3.880 4.120 -0.000 0.000 0.480 271 V C 0.188 176.327 176.094 0.076 0.000 0.682 271 V CA 0.425 62.761 62.300 0.060 0.000 1.959 271 V CB -1.505 30.351 31.823 0.056 0.000 2.372 271 V HN 0.757 nan 8.190 nan 0.000 0.501 272 K N 3.970 124.420 120.400 0.083 0.000 2.368 272 K HA 0.687 5.007 4.320 -0.000 0.000 0.282 272 K C -0.167 176.501 176.600 0.114 0.000 1.035 272 K CA -0.111 56.239 56.287 0.105 0.000 0.973 272 K CB 1.319 33.876 32.500 0.094 0.000 0.957 272 K HN 0.529 nan 8.250 nan 0.000 0.474 273 V N 0.639 120.645 119.914 0.153 0.000 3.159 273 V HA 0.870 4.990 4.120 -0.000 0.000 0.308 273 V C -1.138 174.981 176.094 0.042 0.000 1.190 273 V CA -1.063 61.300 62.300 0.105 0.000 1.037 273 V CB 2.242 34.131 31.823 0.110 0.000 1.060 273 V HN 0.822 nan 8.190 nan 0.000 0.437 274 A N 1.293 123.982 122.820 -0.220 0.000 2.594 274 A HA 1.039 5.359 4.320 -0.000 0.000 0.295 274 A C -0.916 176.369 177.584 -0.499 0.000 1.071 274 A CA -0.051 51.496 52.037 -0.816 0.000 0.685 274 A CB 1.959 20.602 19.000 -0.595 0.000 1.285 274 A HN 1.964 nan 8.150 nan 0.000 0.405 275 A N 0.145 122.612 122.820 -0.589 0.000 2.498 275 A HA 0.931 5.251 4.320 -0.000 0.000 0.298 275 A C -0.672 176.863 177.584 -0.082 0.000 1.075 275 A CA -0.090 51.833 52.037 -0.189 0.000 0.714 275 A CB 1.568 20.532 19.000 -0.059 0.000 1.299 275 A HN 2.368 nan 8.150 nan 0.000 0.407 276 V N -1.387 118.538 119.914 0.018 0.000 3.048 276 V HA 0.557 4.677 4.120 -0.000 0.000 0.303 276 V C -0.603 175.547 176.094 0.093 0.000 1.214 276 V CA -1.334 61.016 62.300 0.084 0.000 0.984 276 V CB 1.324 33.225 31.823 0.131 0.000 1.054 276 V HN 0.912 nan 8.190 nan 0.000 0.430 277 K N 2.201 122.656 120.400 0.092 0.000 2.469 277 K HA 0.505 4.825 4.320 -0.000 0.000 0.274 277 K C 0.792 177.410 176.600 0.029 0.000 0.983 277 K CA 0.523 56.847 56.287 0.062 0.000 0.974 277 K CB 0.750 33.289 32.500 0.064 0.000 0.913 277 K HN 1.150 nan 8.250 nan 0.000 0.493 278 A N 4.189 126.994 122.820 -0.024 0.000 2.364 278 A HA 0.181 4.501 4.320 -0.000 0.000 0.258 278 A C -2.024 175.459 177.584 -0.168 0.000 1.131 278 A CA -0.757 51.203 52.037 -0.128 0.000 0.800 278 A CB -0.487 18.458 19.000 -0.092 0.000 1.086 278 A HN 0.545 nan 8.150 nan 0.000 0.508 279 P HA 0.404 nan 4.420 nan 0.000 0.284 279 P C 0.694 177.959 177.300 -0.057 0.000 1.253 279 P CA 1.113 64.075 63.100 -0.229 0.000 0.800 279 P CB 0.867 32.331 31.700 -0.395 0.000 0.961 280 G N 2.829 111.657 108.800 0.046 0.000 2.581 280 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.291 280 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.291 280 G C -0.513 174.549 174.900 0.270 0.000 1.277 280 G CA 0.726 45.922 45.100 0.160 0.000 0.959 280 G HN 0.771 nan 8.290 nan 0.000 0.554 281 F N -3.413 116.536 119.950 -0.002 0.000 2.831 281 F HA 0.731 5.258 4.527 -0.000 0.000 0.318 281 F C 0.930 176.736 175.800 0.010 0.000 1.174 281 F CA 0.374 58.376 58.000 0.003 0.000 0.918 281 F CB 0.709 39.717 39.000 0.013 0.000 1.364 281 F HN 2.448 nan 8.300 nan 0.000 0.475 282 G N 0.977 109.782 108.800 0.010 0.000 2.527 282 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.268 282 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.268 282 G C 0.158 174.999 174.900 -0.099 0.000 1.175 282 G CA 0.504 45.543 45.100 -0.102 0.000 0.962 282 G HN 0.908 nan 8.290 nan 0.000 0.560 283 D N 0.966 121.291 120.400 -0.126 0.000 2.249 283 D HA -0.013 4.627 4.640 -0.000 0.000 0.205 283 D C 2.538 178.778 176.300 -0.099 0.000 0.962 283 D CA 1.187 55.137 54.000 -0.083 0.000 0.860 283 D CB -0.026 40.737 40.800 -0.062 0.000 0.955 283 D HN 0.635 nan 8.370 nan 0.000 0.505 284 R N 1.148 121.558 120.500 -0.150 0.000 2.276 284 R HA 0.061 4.401 4.340 -0.000 0.000 0.203 284 R C 2.096 178.324 176.300 -0.119 0.000 1.017 284 R CA 0.372 56.390 56.100 -0.135 0.000 1.010 284 R CB -0.241 29.958 30.300 -0.167 0.000 0.900 284 R HN 0.007 nan 8.270 nan 0.000 0.469 285 R N 2.110 122.541 120.500 -0.115 0.000 2.066 285 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 285 R C 1.246 177.504 176.300 -0.069 0.000 1.131 285 R CA 1.545 57.598 56.100 -0.077 0.000 0.955 285 R CB -0.050 30.231 30.300 -0.031 0.000 0.851 285 R HN 0.225 nan 8.270 nan 0.000 0.432 286 K N -0.105 120.262 120.400 -0.056 0.000 2.442 286 K HA -0.025 4.295 4.320 -0.000 0.000 0.198 286 K C 1.700 178.271 176.600 -0.049 0.000 1.042 286 K CA 0.918 57.179 56.287 -0.045 0.000 0.958 286 K CB 0.169 32.650 32.500 -0.033 0.000 0.766 286 K HN 0.272 nan 8.250 nan 0.000 0.474 287 A N 0.915 123.699 122.820 -0.059 0.000 1.909 287 A HA 0.061 4.381 4.320 -0.000 0.000 0.209 287 A C 2.045 179.592 177.584 -0.062 0.000 1.247 287 A CA 0.255 52.259 52.037 -0.055 0.000 0.660 287 A CB -0.214 18.752 19.000 -0.057 0.000 0.910 287 A HN 0.048 nan 8.150 nan 0.000 0.465 288 M N -0.363 119.190 119.600 -0.078 0.000 2.082 288 M HA -0.184 4.296 4.480 -0.000 0.000 0.258 288 M C 2.252 178.491 176.300 -0.101 0.000 1.069 288 M CA 1.856 57.102 55.300 -0.089 0.000 1.102 288 M CB -0.495 32.037 32.600 -0.113 0.000 1.336 288 M HN 0.533 nan 8.290 nan 0.000 0.404 289 L N 0.191 121.348 121.223 -0.110 0.000 2.127 289 L HA -0.280 4.060 4.340 -0.000 0.000 0.211 289 L C 2.487 179.318 176.870 -0.065 0.000 1.089 289 L CA 1.560 56.336 54.840 -0.108 0.000 0.757 289 L CB -0.260 41.744 42.059 -0.092 0.000 0.899 289 L HN 0.317 nan 8.230 nan 0.000 0.434 290 Q N 0.043 119.813 119.800 -0.050 0.000 2.167 290 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 290 Q C 1.667 177.653 176.000 -0.024 0.000 0.970 290 Q CA 1.993 57.777 55.803 -0.031 0.000 0.855 290 Q CB -0.176 28.545 28.738 -0.028 0.000 0.911 290 Q HN 0.543 nan 8.270 nan 0.000 0.438 291 D N 0.177 120.560 120.400 -0.030 0.000 2.084 291 D HA -0.160 4.480 4.640 -0.000 0.000 0.194 291 D C 1.892 178.190 176.300 -0.004 0.000 0.990 291 D CA 1.418 55.408 54.000 -0.016 0.000 0.826 291 D CB -0.284 40.506 40.800 -0.018 0.000 0.971 291 D HN 0.361 nan 8.370 nan 0.000 0.453 292 I N 1.334 121.898 120.570 -0.010 0.000 2.300 292 I HA -0.316 3.854 4.170 -0.000 0.000 0.252 292 I C 2.438 178.567 176.117 0.019 0.000 1.119 292 I CA 1.043 62.352 61.300 0.015 0.000 1.384 292 I CB -0.200 37.798 38.000 -0.003 0.000 1.062 292 I HN -0.057 nan 8.210 nan 0.000 0.426 293 A N 0.433 123.256 122.820 0.006 0.000 1.855 293 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 293 A C 2.378 179.971 177.584 0.015 0.000 1.191 293 A CA 2.311 54.355 52.037 0.012 0.000 0.613 293 A CB -1.093 17.909 19.000 0.004 0.000 0.829 293 A HN 0.360 nan 8.150 nan 0.000 0.442 294 T N 0.741 115.300 114.554 0.008 0.000 2.720 294 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 294 T C 1.828 176.536 174.700 0.013 0.000 1.037 294 T CA 1.296 63.401 62.100 0.009 0.000 1.144 294 T CB -0.352 68.518 68.868 0.003 0.000 0.864 294 T HN 0.294 nan 8.240 nan 0.000 0.444 295 L N 2.174 123.406 121.223 0.016 0.000 2.131 295 L HA -0.052 4.288 4.340 -0.000 0.000 0.210 295 L C 1.845 178.729 176.870 0.023 0.000 1.092 295 L CA 2.162 57.014 54.840 0.020 0.000 0.759 295 L CB -1.247 40.829 42.059 0.028 0.000 0.903 295 L HN 0.458 nan 8.230 nan 0.000 0.435 296 T N -3.793 110.778 114.554 0.029 0.000 3.248 296 T HA 0.365 4.715 4.350 -0.000 0.000 0.271 296 T C 1.038 175.759 174.700 0.036 0.000 1.005 296 T CA 0.129 62.249 62.100 0.032 0.000 0.902 296 T CB -0.315 68.579 68.868 0.044 0.000 1.102 296 T HN 0.518 nan 8.240 nan 0.000 0.548 297 G N 0.196 109.014 108.800 0.029 0.000 2.386 297 G HA2 0.141 4.101 3.960 -0.000 0.000 0.295 297 G HA3 0.141 4.101 3.960 -0.000 0.000 0.295 297 G C 0.376 175.301 174.900 0.042 0.000 0.979 297 G CA 0.000 45.119 45.100 0.032 0.000 1.193 297 G HN 1.138 nan 8.290 nan 0.000 0.508 298 G N -1.547 107.275 108.800 0.036 0.000 3.135 298 G HA2 0.924 4.884 3.960 -0.000 0.000 0.278 298 G HA3 0.924 4.884 3.960 -0.000 0.000 0.278 298 G C -0.662 174.251 174.900 0.023 0.000 1.302 298 G CA 0.308 45.431 45.100 0.038 0.000 0.880 298 G HN 0.842 nan 8.290 nan 0.000 0.574 299 T N -0.434 114.131 114.554 0.019 0.000 2.916 299 T HA 0.522 4.872 4.350 -0.000 0.000 0.305 299 T C -0.627 174.076 174.700 0.005 0.000 1.119 299 T CA -0.368 61.738 62.100 0.009 0.000 1.008 299 T CB 1.965 70.837 68.868 0.006 0.000 1.129 299 T HN 0.424 nan 8.240 nan 0.000 0.480 300 V N 2.874 122.787 119.914 -0.000 0.000 2.583 300 V HA 0.383 4.503 4.120 -0.000 0.000 0.287 300 V C 0.017 176.109 176.094 -0.004 0.000 1.051 300 V CA -0.438 61.859 62.300 -0.004 0.000 1.010 300 V CB 0.666 32.483 31.823 -0.010 0.000 0.988 300 V HN 0.725 nan 8.190 nan 0.000 0.478 301 I N 5.053 125.621 120.570 -0.003 0.000 2.412 301 I HA 0.325 4.495 4.170 -0.000 0.000 0.279 301 I C 0.314 176.429 176.117 -0.002 0.000 1.063 301 I CA 0.064 61.363 61.300 -0.002 0.000 1.193 301 I CB 0.910 38.909 38.000 -0.001 0.000 1.370 301 I HN 0.725 nan 8.210 nan 0.000 0.479 302 S N 2.712 118.410 115.700 -0.003 0.000 2.621 302 S HA 0.452 4.922 4.470 -0.000 0.000 0.302 302 S C 0.460 175.060 174.600 -0.001 0.000 1.093 302 S CA -0.828 57.371 58.200 -0.002 0.000 1.017 302 S CB 2.142 65.339 63.200 -0.004 0.000 1.077 302 S HN 0.554 nan 8.310 nan 0.000 0.517 303 E N 0.336 120.537 120.200 0.001 0.000 2.442 303 E HA -0.016 4.334 4.350 -0.000 0.000 0.195 303 E C 1.068 177.669 176.600 0.001 0.000 1.030 303 E CA 0.311 56.712 56.400 0.002 0.000 0.869 303 E CB -0.023 29.680 29.700 0.004 0.000 0.857 303 E HN 0.746 nan 8.360 nan 0.000 0.505 304 E N 0.455 120.655 120.200 0.000 0.000 2.338 304 E HA -0.091 4.259 4.350 -0.000 0.000 0.197 304 E C 1.419 178.019 176.600 -0.001 0.000 1.007 304 E CA 0.688 57.088 56.400 -0.000 0.000 0.849 304 E CB 0.155 29.854 29.700 -0.001 0.000 0.774 304 E HN 0.341 nan 8.360 nan 0.000 0.506 305 I N -0.935 119.634 120.570 -0.001 0.000 4.154 305 I HA 0.192 4.362 4.170 -0.000 0.000 0.334 305 I C 0.878 176.994 176.117 -0.001 0.000 1.371 305 I CA 0.029 61.328 61.300 -0.002 0.000 1.110 305 I CB 1.002 39.000 38.000 -0.003 0.000 1.085 305 I HN 0.096 nan 8.210 nan 0.000 0.398 306 G N 2.161 110.961 108.800 -0.001 0.000 2.165 306 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.226 306 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.226 306 G C -0.016 174.883 174.900 -0.001 0.000 1.035 306 G CA -0.341 44.759 45.100 -0.000 0.000 0.744 306 G HN 0.237 nan 8.290 nan 0.000 0.501 307 M N 0.282 119.881 119.600 -0.001 0.000 2.300 307 M HA 0.522 5.002 4.480 -0.000 0.000 0.348 307 M C 0.207 176.506 176.300 -0.001 0.000 1.151 307 M CA -0.222 55.077 55.300 -0.002 0.000 1.046 307 M CB 1.479 34.077 32.600 -0.002 0.000 1.647 307 M HN 0.220 nan 8.290 nan 0.000 0.451 308 E N 2.058 122.256 120.200 -0.002 0.000 2.227 308 E HA 0.327 4.677 4.350 -0.000 0.000 0.268 308 E C 0.205 176.803 176.600 -0.003 0.000 0.907 308 E CA -0.556 55.843 56.400 -0.002 0.000 0.786 308 E CB 2.231 31.931 29.700 -0.001 0.000 1.191 308 E HN 0.683 nan 8.360 nan 0.000 0.411 309 L N 1.623 122.844 121.223 -0.002 0.000 2.456 309 L HA -0.141 4.199 4.340 -0.000 0.000 0.224 309 L C 1.434 178.299 176.870 -0.008 0.000 1.148 309 L CA 0.895 55.732 54.840 -0.004 0.000 0.825 309 L CB -0.201 41.858 42.059 0.001 0.000 0.937 309 L HN 0.522 nan 8.230 nan 0.000 0.450 310 E N 0.364 120.560 120.200 -0.006 0.000 2.158 310 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 310 E C 0.643 177.236 176.600 -0.012 0.000 0.982 310 E CA 0.805 57.200 56.400 -0.008 0.000 0.823 310 E CB 0.129 29.826 29.700 -0.005 0.000 0.766 310 E HN 0.259 nan 8.360 nan 0.000 0.468 311 K N 0.719 121.113 120.400 -0.011 0.000 2.765 311 K HA 0.523 4.843 4.320 -0.000 0.000 0.246 311 K C -0.927 175.664 176.600 -0.015 0.000 1.254 311 K CA -0.235 56.045 56.287 -0.012 0.000 1.219 311 K CB 0.958 33.453 32.500 -0.008 0.000 1.747 311 K HN -0.052 nan 8.250 nan 0.000 0.372 312 A N 1.115 123.922 122.820 -0.021 0.000 2.442 312 A HA 0.352 4.672 4.320 -0.000 0.000 0.284 312 A C 0.220 177.778 177.584 -0.043 0.000 1.058 312 A CA -0.761 51.260 52.037 -0.027 0.000 0.738 312 A CB 0.736 19.722 19.000 -0.025 0.000 1.242 312 A HN 0.376 nan 8.150 nan 0.000 0.421 313 T N 0.067 114.593 114.554 -0.046 0.000 2.994 313 T HA 0.477 4.827 4.350 -0.000 0.000 0.322 313 T C 1.083 175.720 174.700 -0.104 0.000 1.199 313 T CA -0.152 61.909 62.100 -0.065 0.000 0.945 313 T CB 0.030 68.870 68.868 -0.047 0.000 1.754 313 T HN 0.382 nan 8.240 nan 0.000 0.571 314 L N -0.006 121.138 121.223 -0.133 0.000 2.567 314 L HA 0.267 4.607 4.340 -0.000 0.000 0.225 314 L C 2.759 179.571 176.870 -0.097 0.000 1.119 314 L CA 0.506 55.209 54.840 -0.229 0.000 0.871 314 L CB -0.359 41.514 42.059 -0.310 0.000 1.036 314 L HN 0.794 nan 8.230 nan 0.000 0.459 315 E N 0.508 120.685 120.200 -0.037 0.000 2.170 315 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 315 E C 0.949 177.560 176.600 0.018 0.000 0.981 315 E CA 0.727 57.134 56.400 0.010 0.000 0.830 315 E CB 0.338 30.042 29.700 0.007 0.000 0.775 315 E HN 0.393 nan 8.360 nan 0.000 0.470 316 D N 0.382 120.780 120.400 -0.002 0.000 2.363 316 D HA -0.004 4.636 4.640 -0.000 0.000 0.226 316 D C -0.204 176.107 176.300 0.017 0.000 1.020 316 D CA 0.307 54.310 54.000 0.005 0.000 0.892 316 D CB 0.242 41.038 40.800 -0.007 0.000 0.900 316 D HN 0.117 nan 8.370 nan 0.000 0.531 317 L N 0.361 121.601 121.223 0.028 0.000 2.357 317 L HA 0.392 4.732 4.340 -0.000 0.000 0.273 317 L C 1.295 178.247 176.870 0.137 0.000 1.080 317 L CA -0.506 54.377 54.840 0.071 0.000 0.803 317 L CB 1.401 43.487 42.059 0.045 0.000 1.174 317 L HN -0.175 nan 8.230 nan 0.000 0.443 318 G N 1.109 109.986 108.800 0.128 0.000 2.599 318 G HA2 0.481 4.441 3.960 -0.000 0.000 0.264 318 G HA3 0.481 4.441 3.960 -0.000 0.000 0.264 318 G C -0.990 173.997 174.900 0.146 0.000 1.200 318 G CA -0.169 44.998 45.100 0.112 0.000 0.896 318 G HN 0.600 nan 8.290 nan 0.000 0.536 319 Q N -1.012 118.831 119.800 0.073 0.000 2.403 319 Q HA 0.552 4.892 4.340 -0.000 0.000 0.267 319 Q C -1.121 174.861 176.000 -0.031 0.000 0.991 319 Q CA -0.719 55.082 55.803 -0.004 0.000 0.906 319 Q CB 1.823 30.538 28.738 -0.039 0.000 1.422 319 Q HN 0.977 nan 8.270 nan 0.000 0.400 320 A N 2.556 125.339 122.820 -0.062 0.000 2.524 320 A HA 0.597 4.917 4.320 -0.000 0.000 0.286 320 A C -0.830 176.711 177.584 -0.072 0.000 1.203 320 A CA -0.649 51.360 52.037 -0.048 0.000 0.736 320 A CB 1.595 20.582 19.000 -0.022 0.000 1.322 320 A HN 0.756 nan 8.150 nan 0.000 0.424 321 K N -0.506 119.862 120.400 -0.052 0.000 2.387 321 K HA 0.311 4.631 4.320 -0.000 0.000 0.198 321 K C -0.018 176.556 176.600 -0.044 0.000 1.022 321 K CA 0.345 56.599 56.287 -0.054 0.000 1.128 321 K CB 0.344 32.819 32.500 -0.041 0.000 0.853 321 K HN 0.514 nan 8.250 nan 0.000 0.523 322 R N -0.023 120.453 120.500 -0.040 0.000 4.584 322 R HA 0.035 4.375 4.340 -0.000 0.000 0.251 322 R C -2.181 174.101 176.300 -0.030 0.000 0.957 322 R CA -0.477 55.604 56.100 -0.032 0.000 1.195 322 R CB 0.731 31.015 30.300 -0.026 0.000 1.233 322 R HN -0.012 nan 8.270 nan 0.000 0.630 323 V N 0.219 120.116 119.914 -0.028 0.000 2.932 323 V HA 0.888 5.008 4.120 -0.000 0.000 0.307 323 V C -1.235 174.839 176.094 -0.033 0.000 1.147 323 V CA -0.722 61.557 62.300 -0.036 0.000 0.951 323 V CB 2.209 34.013 31.823 -0.031 0.000 1.031 323 V HN 0.425 nan 8.190 nan 0.000 0.426 324 V N 4.508 124.390 119.914 -0.052 0.000 2.914 324 V HA 0.702 4.822 4.120 -0.000 0.000 0.314 324 V C -0.377 175.678 176.094 -0.064 0.000 1.084 324 V CA -0.501 61.776 62.300 -0.038 0.000 0.963 324 V CB 1.979 33.781 31.823 -0.035 0.000 1.025 324 V HN 1.080 nan 8.190 nan 0.000 0.432 325 I N 0.182 120.737 120.570 -0.024 0.000 2.563 325 I HA 0.510 4.680 4.170 -0.000 0.000 0.281 325 I C -0.135 175.974 176.117 -0.013 0.000 1.110 325 I CA -0.583 60.691 61.300 -0.042 0.000 1.073 325 I CB 1.206 39.199 38.000 -0.011 0.000 1.215 325 I HN 0.433 nan 8.210 nan 0.000 0.460 326 N N 4.621 123.266 118.700 -0.092 0.000 2.255 326 N HA 0.017 4.757 4.740 -0.000 0.000 0.260 326 N C 1.038 176.282 175.510 -0.444 0.000 1.288 326 N CA -0.084 52.889 53.050 -0.127 0.000 0.894 326 N CB 0.755 39.181 38.487 -0.102 0.000 1.033 326 N HN 0.680 nan 8.380 nan 0.000 0.477 327 K N 0.358 120.487 120.400 -0.452 0.000 2.148 327 K HA -0.156 4.164 4.320 -0.000 0.000 0.204 327 K C -0.324 175.908 176.600 -0.613 0.000 1.050 327 K CA 1.796 57.620 56.287 -0.771 0.000 0.942 327 K CB 0.003 32.358 32.500 -0.243 0.000 0.724 327 K HN 0.610 nan 8.250 nan 0.000 0.446 328 D N -1.096 119.110 120.400 -0.323 0.000 2.822 328 D HA 0.103 4.743 4.640 -0.000 0.000 0.327 328 D C -1.140 175.085 176.300 -0.126 0.000 1.577 328 D CA -0.485 53.403 54.000 -0.187 0.000 0.785 328 D CB 0.866 41.604 40.800 -0.103 0.000 1.199 328 D HN -0.157 nan 8.370 nan 0.000 0.443 329 T N -0.127 114.329 114.554 -0.163 0.000 3.293 329 T HA 0.462 4.812 4.350 -0.000 0.000 0.320 329 T C -0.432 174.140 174.700 -0.214 0.000 0.995 329 T CA -0.457 61.553 62.100 -0.150 0.000 1.041 329 T CB 1.933 70.734 68.868 -0.112 0.000 1.058 329 T HN -0.050 nan 8.240 nan 0.000 0.453 330 T N 1.744 116.084 114.554 -0.356 0.000 2.884 330 T HA 0.821 5.171 4.350 -0.000 0.000 0.277 330 T C -0.059 174.323 174.700 -0.530 0.000 0.976 330 T CA -0.577 61.221 62.100 -0.503 0.000 0.956 330 T CB 1.489 69.828 68.868 -0.883 0.000 1.113 330 T HN 0.719 nan 8.240 nan 0.000 0.554 331 T N 0.879 115.164 114.554 -0.449 0.000 4.349 331 T HA 0.310 4.660 4.350 -0.000 0.000 0.404 331 T C -1.594 173.003 174.700 -0.172 0.000 0.993 331 T CA -0.596 61.328 62.100 -0.293 0.000 1.025 331 T CB -0.196 68.561 68.868 -0.185 0.000 1.219 331 T HN 0.456 nan 8.240 nan 0.000 0.451 332 I N 5.791 126.291 120.570 -0.117 0.000 2.353 332 I HA 0.514 4.684 4.170 -0.000 0.000 0.293 332 I C 0.011 176.111 176.117 -0.029 0.000 0.992 332 I CA -0.948 60.327 61.300 -0.041 0.000 1.268 332 I CB 1.424 39.438 38.000 0.023 0.000 1.387 332 I HN 0.565 nan 8.210 nan 0.000 0.478 333 I N 5.458 126.012 120.570 -0.027 0.000 2.362 333 I HA 0.215 4.385 4.170 -0.000 0.000 0.289 333 I C -0.658 175.448 176.117 -0.018 0.000 0.994 333 I CA -0.520 60.766 61.300 -0.023 0.000 1.158 333 I CB 1.397 39.380 38.000 -0.028 0.000 1.315 333 I HN 0.611 nan 8.210 nan 0.000 0.451 334 D N 4.680 125.072 120.400 -0.013 0.000 4.867 334 D HA -0.116 4.524 4.640 -0.000 0.000 0.238 334 D C -0.207 176.086 176.300 -0.012 0.000 1.114 334 D CA 1.185 55.177 54.000 -0.012 0.000 1.283 334 D CB 0.176 40.966 40.800 -0.016 0.000 0.739 334 D HN 0.813 nan 8.370 nan 0.000 0.371 335 G N 1.627 110.425 108.800 -0.004 0.000 2.454 335 G HA2 0.504 4.464 3.960 -0.000 0.000 0.329 335 G HA3 0.504 4.464 3.960 -0.000 0.000 0.329 335 G C 1.182 176.082 174.900 -0.002 0.000 1.177 335 G CA -0.416 44.683 45.100 -0.001 0.000 0.951 335 G HN 0.454 nan 8.290 nan 0.000 0.485 336 V N 1.206 121.120 119.914 -0.000 0.000 2.720 336 V HA -0.008 4.112 4.120 -0.000 0.000 0.256 336 V C 2.176 178.275 176.094 0.008 0.000 1.082 336 V CA 1.120 63.422 62.300 0.002 0.000 1.101 336 V CB -1.270 30.557 31.823 0.008 0.000 0.693 336 V HN 0.848 nan 8.190 nan 0.000 0.479 337 G N 1.213 110.020 108.800 0.011 0.000 2.187 337 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.239 337 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.239 337 G C -0.071 174.834 174.900 0.007 0.000 1.200 337 G CA -0.085 45.021 45.100 0.011 0.000 0.888 337 G HN 0.583 nan 8.290 nan 0.000 0.482 338 E N 1.848 122.053 120.200 0.007 0.000 2.331 338 E HA 0.068 4.418 4.350 -0.000 0.000 0.272 338 E C 0.669 177.272 176.600 0.004 0.000 1.036 338 E CA -0.233 56.170 56.400 0.005 0.000 0.864 338 E CB 1.340 31.044 29.700 0.006 0.000 1.035 338 E HN 0.655 nan 8.360 nan 0.000 0.408 339 E N 1.387 121.588 120.200 0.002 0.000 2.527 339 E HA -0.165 4.185 4.350 -0.000 0.000 0.204 339 E C 0.964 177.565 176.600 0.001 0.000 1.132 339 E CA 0.220 56.621 56.400 0.001 0.000 0.905 339 E CB -0.008 29.693 29.700 0.000 0.000 0.875 339 E HN 0.501 nan 8.360 nan 0.000 0.548 340 A N 1.183 124.004 122.820 0.002 0.000 1.884 340 A HA 0.232 4.552 4.320 -0.000 0.000 0.212 340 A C 2.292 179.877 177.584 0.001 0.000 1.265 340 A CA 0.741 52.779 52.037 0.001 0.000 0.626 340 A CB -0.405 18.596 19.000 0.002 0.000 0.943 340 A HN 0.280 nan 8.150 nan 0.000 0.466 341 A N -0.474 122.347 122.820 0.002 0.000 2.121 341 A HA 0.107 4.427 4.320 -0.000 0.000 0.218 341 A C 1.958 179.543 177.584 0.001 0.000 1.154 341 A CA 1.173 53.212 52.037 0.002 0.000 0.679 341 A CB -0.556 18.446 19.000 0.003 0.000 0.795 341 A HN 0.493 nan 8.150 nan 0.000 0.458 342 I N -1.625 118.946 120.570 0.002 0.000 2.339 342 I HA -0.136 4.034 4.170 -0.000 0.000 0.245 342 I C 2.541 178.658 176.117 -0.001 0.000 1.096 342 I CA 1.173 62.474 61.300 0.001 0.000 1.408 342 I CB -0.163 37.839 38.000 0.003 0.000 1.092 342 I HN 0.294 nan 8.210 nan 0.000 0.423 343 Q N 1.262 121.062 119.800 -0.001 0.000 2.364 343 Q HA -0.071 4.269 4.340 -0.000 0.000 0.207 343 Q C 1.858 177.857 176.000 -0.003 0.000 0.970 343 Q CA 1.553 57.355 55.803 -0.002 0.000 0.888 343 Q CB -0.297 28.440 28.738 -0.002 0.000 0.951 343 Q HN 0.472 nan 8.270 nan 0.000 0.469 344 G N -0.583 108.215 108.800 -0.002 0.000 2.459 344 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.213 344 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.213 344 G C 1.520 176.417 174.900 -0.005 0.000 1.155 344 G CA 0.391 45.489 45.100 -0.003 0.000 0.811 344 G HN 0.280 nan 8.290 nan 0.000 0.534 345 R N 0.519 121.016 120.500 -0.005 0.000 2.115 345 R HA 0.037 4.377 4.340 -0.000 0.000 0.230 345 R C 2.367 178.662 176.300 -0.008 0.000 1.111 345 R CA 1.215 57.311 56.100 -0.007 0.000 0.976 345 R CB -0.699 29.598 30.300 -0.006 0.000 0.870 345 R HN 0.205 nan 8.270 nan 0.000 0.445 346 V N 0.574 120.484 119.914 -0.007 0.000 2.358 346 V HA -0.138 3.982 4.120 -0.000 0.000 0.246 346 V C 2.323 178.411 176.094 -0.009 0.000 1.047 346 V CA 1.784 64.079 62.300 -0.008 0.000 1.035 346 V CB -0.858 30.961 31.823 -0.006 0.000 0.658 346 V HN 0.509 nan 8.190 nan 0.000 0.452 347 A N -0.730 122.085 122.820 -0.007 0.000 1.933 347 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 347 A C 2.190 179.768 177.584 -0.009 0.000 1.175 347 A CA 1.791 53.824 52.037 -0.007 0.000 0.628 347 A CB -0.421 18.576 19.000 -0.006 0.000 0.814 347 A HN 0.624 nan 8.150 nan 0.000 0.444 348 Q N -0.642 119.153 119.800 -0.009 0.000 2.119 348 Q HA -0.039 4.301 4.340 -0.000 0.000 0.201 348 Q C 1.909 177.901 176.000 -0.014 0.000 0.972 348 Q CA 1.434 57.230 55.803 -0.011 0.000 0.847 348 Q CB -0.231 28.500 28.738 -0.011 0.000 0.903 348 Q HN 0.755 nan 8.270 nan 0.000 0.433 349 I N -0.166 120.395 120.570 -0.015 0.000 2.617 349 I HA -0.148 4.022 4.170 -0.000 0.000 0.256 349 I C 2.364 178.470 176.117 -0.018 0.000 1.167 349 I CA 0.489 61.778 61.300 -0.019 0.000 1.469 349 I CB -0.103 37.885 38.000 -0.021 0.000 1.098 349 I HN 0.069 nan 8.210 nan 0.000 0.436 350 R N 0.912 121.404 120.500 -0.014 0.000 2.152 350 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 350 R C 2.199 178.491 176.300 -0.012 0.000 1.117 350 R CA 1.313 57.405 56.100 -0.013 0.000 0.981 350 R CB 0.024 30.318 30.300 -0.010 0.000 0.870 350 R HN 0.402 nan 8.270 nan 0.000 0.451 351 Q N -0.866 118.927 119.800 -0.012 0.000 2.250 351 Q HA -0.049 4.291 4.340 -0.000 0.000 0.200 351 Q C 1.745 177.738 176.000 -0.012 0.000 0.941 351 Q CA 0.493 56.290 55.803 -0.011 0.000 0.872 351 Q CB 0.402 29.135 28.738 -0.009 0.000 0.965 351 Q HN 0.370 nan 8.270 nan 0.000 0.480 352 Q N 0.398 120.189 119.800 -0.015 0.000 2.248 352 Q HA -0.167 4.173 4.340 -0.000 0.000 0.208 352 Q C 1.913 177.902 176.000 -0.018 0.000 0.984 352 Q CA 1.122 56.914 55.803 -0.018 0.000 0.875 352 Q CB -0.152 28.572 28.738 -0.024 0.000 0.910 352 Q HN 0.506 nan 8.270 nan 0.000 0.433 353 I N 0.715 121.274 120.570 -0.018 0.000 2.617 353 I HA -0.174 3.996 4.170 -0.000 0.000 0.256 353 I C 1.995 178.106 176.117 -0.011 0.000 1.167 353 I CA 0.612 61.902 61.300 -0.017 0.000 1.469 353 I CB -0.187 37.802 38.000 -0.018 0.000 1.098 353 I HN 0.072 nan 8.210 nan 0.000 0.436 354 E N 1.484 121.678 120.200 -0.010 0.000 2.072 354 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 354 E C 1.175 177.772 176.600 -0.005 0.000 0.982 354 E CA 1.022 57.418 56.400 -0.007 0.000 0.803 354 E CB -0.297 29.400 29.700 -0.006 0.000 0.755 354 E HN 0.580 nan 8.360 nan 0.000 0.453 355 E N 1.147 121.344 120.200 -0.006 0.000 2.301 355 E HA 0.251 4.601 4.350 -0.000 0.000 0.195 355 E C -0.239 176.359 176.600 -0.003 0.000 1.171 355 E CA -0.304 56.093 56.400 -0.004 0.000 1.142 355 E CB 0.221 29.918 29.700 -0.005 0.000 1.218 355 E HN 0.077 nan 8.360 nan 0.000 0.448 356 A N 1.243 124.061 122.820 -0.003 0.000 2.409 356 A HA 0.149 4.469 4.320 -0.000 0.000 0.267 356 A C 1.258 178.845 177.584 0.005 0.000 1.127 356 A CA -0.203 51.834 52.037 -0.001 0.000 0.795 356 A CB 0.149 19.147 19.000 -0.003 0.000 1.061 356 A HN 0.281 nan 8.150 nan 0.000 0.502 357 T N -0.891 113.668 114.554 0.010 0.000 3.001 357 T HA 0.361 4.711 4.350 -0.000 0.000 0.251 357 T C 0.654 175.367 174.700 0.021 0.000 1.040 357 T CA 0.593 62.701 62.100 0.013 0.000 0.985 357 T CB -0.046 68.829 68.868 0.012 0.000 1.011 357 T HN 0.774 nan 8.240 nan 0.000 0.509 358 S N -0.776 114.942 115.700 0.029 0.000 2.618 358 S HA 0.416 4.886 4.470 -0.000 0.000 0.277 358 S C -0.394 174.238 174.600 0.053 0.000 1.138 358 S CA -0.580 57.648 58.200 0.046 0.000 0.844 358 S CB 1.699 64.939 63.200 0.067 0.000 1.127 358 S HN 0.061 nan 8.310 nan 0.000 0.474 359 D N 0.584 121.025 120.400 0.068 0.000 2.183 359 D HA -0.024 4.616 4.640 -0.000 0.000 0.203 359 D C 1.210 177.568 176.300 0.096 0.000 0.969 359 D CA 1.114 55.154 54.000 0.066 0.000 0.842 359 D CB -0.128 40.712 40.800 0.065 0.000 0.957 359 D HN 0.578 nan 8.370 nan 0.000 0.484 360 Y N 2.171 122.469 120.300 -0.004 0.000 2.092 360 Y HA -0.195 4.355 4.550 -0.000 0.000 0.282 360 Y C 1.684 177.576 175.900 -0.013 0.000 1.126 360 Y CA 1.763 59.859 58.100 -0.006 0.000 1.111 360 Y CB -0.474 37.983 38.460 -0.006 0.000 0.987 360 Y HN -0.164 nan 8.280 nan 0.000 0.489 361 D N -0.438 120.008 120.400 0.078 0.000 2.220 361 D HA -0.241 4.399 4.640 -0.000 0.000 0.198 361 D C 2.232 178.485 176.300 -0.078 0.000 1.001 361 D CA 1.718 55.705 54.000 -0.023 0.000 0.875 361 D CB -0.204 40.613 40.800 0.028 0.000 0.921 361 D HN 0.293 nan 8.370 nan 0.000 0.454 362 R N 0.395 120.865 120.500 -0.050 0.000 2.064 362 R HA -0.122 4.218 4.340 -0.000 0.000 0.228 362 R C 1.965 178.212 176.300 -0.087 0.000 1.144 362 R CA 1.110 57.180 56.100 -0.051 0.000 0.932 362 R CB 0.071 30.359 30.300 -0.020 0.000 0.833 362 R HN 0.062 nan 8.270 nan 0.000 0.429 363 E N 1.169 121.305 120.200 -0.107 0.000 2.045 363 E HA -0.251 4.099 4.350 -0.000 0.000 0.212 363 E C 1.668 178.170 176.600 -0.164 0.000 1.039 363 E CA 1.416 57.740 56.400 -0.127 0.000 0.860 363 E CB -0.338 29.273 29.700 -0.149 0.000 0.776 363 E HN 0.216 nan 8.360 nan 0.000 0.467 364 K N 0.604 120.839 120.400 -0.276 0.000 2.589 364 K HA -0.064 4.256 4.320 -0.000 0.000 0.195 364 K C 2.043 178.553 176.600 -0.150 0.000 1.040 364 K CA 0.485 56.626 56.287 -0.244 0.000 0.950 364 K CB -0.256 32.025 32.500 -0.365 0.000 0.781 364 K HN 0.268 nan 8.250 nan 0.000 0.486 365 L N -0.630 120.522 121.223 -0.118 0.000 2.425 365 L HA 0.023 4.363 4.340 -0.000 0.000 0.215 365 L C 2.051 178.886 176.870 -0.057 0.000 1.065 365 L CA 0.257 55.050 54.840 -0.078 0.000 0.842 365 L CB -0.071 41.949 42.059 -0.065 0.000 1.033 365 L HN 0.097 nan 8.230 nan 0.000 0.474 366 Q N 0.088 119.854 119.800 -0.057 0.000 2.297 366 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 366 Q C 1.677 177.655 176.000 -0.036 0.000 0.962 366 Q CA 0.969 56.748 55.803 -0.040 0.000 0.879 366 Q CB 0.217 28.934 28.738 -0.035 0.000 0.947 366 Q HN 0.500 nan 8.270 nan 0.000 0.462 367 E N 0.537 120.708 120.200 -0.047 0.000 2.051 367 E HA -0.074 4.276 4.350 -0.000 0.000 0.189 367 E C 2.018 178.602 176.600 -0.027 0.000 0.979 367 E CA 0.294 56.672 56.400 -0.036 0.000 0.803 367 E CB 0.105 29.777 29.700 -0.046 0.000 0.761 367 E HN 0.178 nan 8.360 nan 0.000 0.451 368 R N 0.715 121.192 120.500 -0.038 0.000 2.105 368 R HA -0.151 4.189 4.340 -0.000 0.000 0.239 368 R C 2.564 178.853 176.300 -0.018 0.000 1.135 368 R CA 1.643 57.725 56.100 -0.030 0.000 0.967 368 R CB -0.386 29.888 30.300 -0.043 0.000 0.861 368 R HN 0.207 nan 8.270 nan 0.000 0.442 369 V N -2.474 117.427 119.914 -0.021 0.000 2.302 369 V HA -0.024 4.096 4.120 -0.000 0.000 0.243 369 V C 2.354 178.443 176.094 -0.009 0.000 1.036 369 V CA 1.443 63.734 62.300 -0.014 0.000 1.020 369 V CB -1.246 30.567 31.823 -0.017 0.000 0.657 369 V HN 0.211 nan 8.190 nan 0.000 0.453 370 A N 1.064 123.878 122.820 -0.010 0.000 1.859 370 A HA -0.324 3.996 4.320 -0.000 0.000 0.218 370 A C 2.319 179.903 177.584 -0.001 0.000 1.209 370 A CA 2.939 54.973 52.037 -0.006 0.000 0.639 370 A CB -0.938 18.057 19.000 -0.008 0.000 0.835 370 A HN 0.626 nan 8.150 nan 0.000 0.450 371 K N -1.378 119.025 120.400 0.005 0.000 2.218 371 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 371 K C 1.718 178.328 176.600 0.017 0.000 1.046 371 K CA 1.416 57.713 56.287 0.016 0.000 0.933 371 K CB -0.240 32.281 32.500 0.034 0.000 0.728 371 K HN 0.405 nan 8.250 nan 0.000 0.454 372 L N -0.779 120.451 121.223 0.011 0.000 2.416 372 L HA 0.121 4.461 4.340 -0.000 0.000 0.216 372 L C 1.715 178.587 176.870 0.004 0.000 1.098 372 L CA 0.776 55.621 54.840 0.010 0.000 0.840 372 L CB 0.249 42.311 42.059 0.005 0.000 0.981 372 L HN 0.025 nan 8.230 nan 0.000 0.462 373 A N -1.285 121.535 122.820 0.001 0.000 1.963 373 A HA 0.338 4.658 4.320 -0.000 0.000 0.207 373 A C 1.825 179.407 177.584 -0.002 0.000 1.243 373 A CA 0.528 52.564 52.037 -0.002 0.000 0.728 373 A CB -0.699 18.299 19.000 -0.004 0.000 0.895 373 A HN 0.322 nan 8.150 nan 0.000 0.467 374 G N 0.228 109.026 108.800 -0.003 0.000 3.474 374 G HA2 0.417 4.377 3.960 -0.000 0.000 0.269 374 G HA3 0.417 4.377 3.960 -0.000 0.000 0.269 374 G C 1.049 175.946 174.900 -0.005 0.000 1.339 374 G CA 0.620 45.717 45.100 -0.005 0.000 1.258 374 G HN 0.793 nan 8.290 nan 0.000 0.560 375 G N 0.182 108.980 108.800 -0.003 0.000 2.998 375 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.855 375 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.855 375 G C 0.140 175.035 174.900 -0.008 0.000 1.032 375 G CA 1.080 46.178 45.100 -0.003 0.000 0.804 375 G HN 0.960 nan 8.290 nan 0.000 0.970 376 V N -0.622 119.285 119.914 -0.011 0.000 2.971 376 V HA 0.711 4.831 4.120 -0.000 0.000 0.309 376 V C 0.398 176.482 176.094 -0.018 0.000 1.130 376 V CA -0.381 61.909 62.300 -0.018 0.000 0.964 376 V CB 1.656 33.465 31.823 -0.022 0.000 1.029 376 V HN 1.432 nan 8.190 nan 0.000 0.427 377 A N 2.558 125.366 122.820 -0.021 0.000 2.310 377 A HA 0.837 5.157 4.320 -0.000 0.000 0.299 377 A C -0.744 176.828 177.584 -0.020 0.000 1.147 377 A CA -0.484 51.541 52.037 -0.019 0.000 0.818 377 A CB 1.227 20.215 19.000 -0.021 0.000 1.096 377 A HN 0.819 nan 8.150 nan 0.000 0.495 378 V N 4.085 123.989 119.914 -0.016 0.000 2.482 378 V HA 0.316 4.436 4.120 -0.000 0.000 0.295 378 V C -0.651 175.435 176.094 -0.012 0.000 1.026 378 V CA -0.095 62.196 62.300 -0.015 0.000 0.856 378 V CB 1.342 33.157 31.823 -0.014 0.000 1.001 378 V HN 0.748 nan 8.190 nan 0.000 0.424 379 I N 5.417 125.980 120.570 -0.011 0.000 2.328 379 I HA 0.415 4.585 4.170 -0.000 0.000 0.287 379 I C 0.101 176.215 176.117 -0.006 0.000 1.012 379 I CA -0.546 60.749 61.300 -0.008 0.000 1.195 379 I CB 1.232 39.227 38.000 -0.008 0.000 1.350 379 I HN 0.443 nan 8.210 nan 0.000 0.464 380 K N 6.174 126.571 120.400 -0.005 0.000 2.266 380 K HA 0.369 4.689 4.320 -0.000 0.000 0.274 380 K C -0.292 176.308 176.600 -0.001 0.000 1.090 380 K CA -0.576 55.709 56.287 -0.003 0.000 0.925 380 K CB 1.253 33.751 32.500 -0.004 0.000 1.225 380 K HN 0.343 nan 8.250 nan 0.000 0.458 381 V N 2.451 122.365 119.914 0.000 0.000 3.083 381 V HA -0.135 3.985 4.120 -0.000 0.000 0.303 381 V C 1.662 177.757 176.094 0.001 0.000 1.151 381 V CA 0.507 62.808 62.300 0.002 0.000 1.275 381 V CB 0.116 31.942 31.823 0.004 0.000 0.950 381 V HN 0.953 nan 8.190 nan 0.000 0.506 382 G N 1.322 110.123 108.800 0.002 0.000 2.393 382 G HA2 0.509 4.469 3.960 -0.000 0.000 0.268 382 G HA3 0.509 4.469 3.960 -0.000 0.000 0.268 382 G C 0.127 175.028 174.900 0.002 0.000 1.472 382 G CA 0.471 45.571 45.100 0.001 0.000 1.059 382 G HN 1.379 nan 8.290 nan 0.000 0.555 383 A N -3.533 119.288 122.820 0.002 0.000 5.519 383 A HA 0.841 5.161 4.320 -0.000 0.000 0.158 383 A C 0.074 177.659 177.584 0.002 0.000 0.860 383 A CA 0.758 52.796 52.037 0.002 0.000 1.134 383 A CB -0.300 18.700 19.000 0.001 0.000 2.248 383 A HN 2.574 nan 8.150 nan 0.000 1.056 384 A N -0.607 122.214 122.820 0.002 0.000 3.033 384 A HA 0.574 4.894 4.320 -0.000 0.000 0.262 384 A C 1.020 178.605 177.584 0.002 0.000 1.301 384 A CA 1.163 53.200 52.037 0.002 0.000 0.727 384 A CB -2.612 16.389 19.000 0.002 0.000 1.094 384 A HN 3.568 nan 8.150 nan 0.000 0.374 385 T N -2.192 112.364 114.554 0.002 0.000 0.541 385 T HA -0.088 4.262 4.350 -0.000 0.000 0.774 385 T C 0.384 175.086 174.700 0.003 0.000 0.992 385 T CA 1.513 63.615 62.100 0.002 0.000 4.077 385 T CB -1.038 67.831 68.868 0.002 0.000 2.303 385 T HN 1.896 nan 8.240 nan 0.000 0.398 386 E N 0.975 121.177 120.200 0.003 0.000 2.085 386 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 386 E C 2.193 178.795 176.600 0.004 0.000 0.994 386 E CA 2.066 58.468 56.400 0.004 0.000 0.801 386 E CB -0.184 29.518 29.700 0.004 0.000 0.743 386 E HN 0.646 nan 8.360 nan 0.000 0.453 387 V N 1.378 121.294 119.914 0.004 0.000 2.332 387 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 387 V C 2.073 178.170 176.094 0.004 0.000 1.055 387 V CA 2.267 64.570 62.300 0.004 0.000 1.038 387 V CB -0.534 31.291 31.823 0.004 0.000 0.651 387 V HN 0.311 nan 8.190 nan 0.000 0.450 388 E N -0.802 119.401 120.200 0.004 0.000 2.158 388 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 388 E C 2.195 178.797 176.600 0.004 0.000 0.982 388 E CA 0.881 57.283 56.400 0.004 0.000 0.823 388 E CB -0.200 29.502 29.700 0.003 0.000 0.766 388 E HN 0.417 nan 8.360 nan 0.000 0.468 389 M N 1.247 120.849 119.600 0.004 0.000 2.117 389 M HA -0.143 4.337 4.480 -0.000 0.000 0.262 389 M C 1.565 177.869 176.300 0.006 0.000 1.065 389 M CA 1.509 56.812 55.300 0.004 0.000 1.114 389 M CB -0.140 32.462 32.600 0.004 0.000 1.361 389 M HN -0.146 nan 8.290 nan 0.000 0.408 390 K N 0.099 120.503 120.400 0.006 0.000 2.439 390 K HA -0.105 4.215 4.320 -0.000 0.000 0.197 390 K C 1.738 178.343 176.600 0.008 0.000 1.041 390 K CA 0.748 57.040 56.287 0.008 0.000 0.970 390 K CB -0.188 32.317 32.500 0.008 0.000 0.773 390 K HN 0.593 nan 8.250 nan 0.000 0.479 391 E N 0.984 121.189 120.200 0.007 0.000 2.140 391 E HA -0.075 4.275 4.350 -0.000 0.000 0.191 391 E C 1.876 178.481 176.600 0.008 0.000 0.973 391 E CA 0.465 56.870 56.400 0.007 0.000 0.829 391 E CB 0.281 29.985 29.700 0.006 0.000 0.781 391 E HN 0.078 nan 8.360 nan 0.000 0.466 392 K N 1.166 121.571 120.400 0.007 0.000 2.057 392 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 392 K C 2.240 178.846 176.600 0.010 0.000 1.050 392 K CA 1.184 57.476 56.287 0.008 0.000 0.935 392 K CB 0.012 32.516 32.500 0.006 0.000 0.715 392 K HN -0.087 nan 8.250 nan 0.000 0.439 393 K N 0.353 120.759 120.400 0.010 0.000 2.059 393 K HA -0.226 4.094 4.320 -0.000 0.000 0.212 393 K C 1.904 178.514 176.600 0.017 0.000 1.050 393 K CA 1.617 57.911 56.287 0.012 0.000 0.927 393 K CB -0.221 32.286 32.500 0.011 0.000 0.714 393 K HN 0.214 nan 8.250 nan 0.000 0.447 394 A N 1.441 124.270 122.820 0.016 0.000 1.845 394 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 394 A C 2.059 179.655 177.584 0.021 0.000 1.195 394 A CA 1.664 53.712 52.037 0.018 0.000 0.616 394 A CB -0.593 18.415 19.000 0.013 0.000 0.832 394 A HN 0.380 nan 8.150 nan 0.000 0.443 395 R N -0.630 119.880 120.500 0.016 0.000 2.211 395 R HA -0.101 4.239 4.340 -0.000 0.000 0.240 395 R C 1.905 178.218 176.300 0.023 0.000 1.144 395 R CA 1.283 57.393 56.100 0.017 0.000 0.992 395 R CB -0.563 29.745 30.300 0.012 0.000 0.869 395 R HN 0.426 nan 8.270 nan 0.000 0.462 396 V N 0.982 120.910 119.914 0.023 0.000 2.283 396 V HA -0.199 3.921 4.120 -0.000 0.000 0.243 396 V C 1.982 178.100 176.094 0.040 0.000 1.039 396 V CA 1.695 64.010 62.300 0.024 0.000 1.016 396 V CB -0.332 31.502 31.823 0.017 0.000 0.650 396 V HN 0.313 nan 8.190 nan 0.000 0.449 397 E N 0.486 120.717 120.200 0.052 0.000 2.049 397 E HA -0.264 4.086 4.350 -0.000 0.000 0.198 397 E C 2.311 178.999 176.600 0.147 0.000 1.007 397 E CA 1.559 58.018 56.400 0.097 0.000 0.809 397 E CB -0.429 29.330 29.700 0.098 0.000 0.749 397 E HN 0.580 nan 8.360 nan 0.000 0.450 398 A N 1.403 124.277 122.820 0.089 0.000 1.908 398 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 398 A C 2.358 179.996 177.584 0.090 0.000 1.181 398 A CA 2.006 54.085 52.037 0.070 0.000 0.627 398 A CB -0.794 18.221 19.000 0.025 0.000 0.818 398 A HN 0.318 nan 8.150 nan 0.000 0.445 399 A N -0.292 122.566 122.820 0.064 0.000 1.832 399 A HA 0.015 4.335 4.320 -0.000 0.000 0.214 399 A C 2.127 179.745 177.584 0.057 0.000 1.200 399 A CA 1.747 53.814 52.037 0.050 0.000 0.610 399 A CB -0.949 18.069 19.000 0.030 0.000 0.842 399 A HN 0.971 nan 8.150 nan 0.000 0.444 400 L N -0.267 120.983 121.223 0.044 0.000 2.010 400 L HA -0.299 4.041 4.340 -0.000 0.000 0.219 400 L C 2.261 179.137 176.870 0.010 0.000 1.077 400 L CA 2.836 57.682 54.840 0.010 0.000 0.773 400 L CB -1.240 40.810 42.059 -0.016 0.000 0.892 400 L HN 0.579 nan 8.230 nan 0.000 0.436 401 H N -0.153 118.916 119.070 -0.001 0.000 2.355 401 H HA -0.210 4.346 4.556 -0.000 0.000 0.293 401 H C 2.079 177.408 175.328 0.002 0.000 1.060 401 H CA 2.271 58.320 56.048 0.000 0.000 1.167 401 H CB -0.646 29.116 29.762 0.001 0.000 1.376 401 H HN 0.532 nan 8.280 nan 0.000 0.549 402 A N 0.036 122.960 122.820 0.173 0.000 1.997 402 A HA -0.232 4.088 4.320 -0.000 0.000 0.221 402 A C 2.681 180.299 177.584 0.056 0.000 1.172 402 A CA 2.388 54.480 52.037 0.092 0.000 0.645 402 A CB -1.049 17.988 19.000 0.062 0.000 0.813 402 A HN 0.532 nan 8.150 nan 0.000 0.454 403 T N -0.890 113.690 114.554 0.043 0.000 2.614 403 T HA -0.151 4.199 4.350 -0.000 0.000 0.263 403 T C 2.165 176.872 174.700 0.012 0.000 1.055 403 T CA 1.355 63.467 62.100 0.020 0.000 1.162 403 T CB -0.274 68.600 68.868 0.010 0.000 0.863 403 T HN 0.369 nan 8.240 nan 0.000 0.414 404 R N 1.265 121.764 120.500 -0.002 0.000 2.159 404 R HA -0.118 4.222 4.340 -0.000 0.000 0.249 404 R C 2.419 178.721 176.300 0.005 0.000 1.136 404 R CA 1.986 58.077 56.100 -0.015 0.000 0.951 404 R CB -1.233 29.037 30.300 -0.050 0.000 0.876 404 R HN 0.455 nan 8.270 nan 0.000 0.440 405 A N -0.496 122.339 122.820 0.025 0.000 2.216 405 A HA 0.061 4.381 4.320 -0.000 0.000 0.214 405 A C 2.058 179.655 177.584 0.023 0.000 1.160 405 A CA 1.534 53.590 52.037 0.031 0.000 0.725 405 A CB -0.260 18.772 19.000 0.053 0.000 0.784 405 A HN 0.433 nan 8.150 nan 0.000 0.472 406 A N -0.964 121.867 122.820 0.018 0.000 1.942 406 A HA 0.237 4.557 4.320 -0.000 0.000 0.209 406 A C 2.016 179.606 177.584 0.010 0.000 1.214 406 A CA 0.980 53.026 52.037 0.015 0.000 0.686 406 A CB -0.557 18.451 19.000 0.015 0.000 0.871 406 A HN 0.278 nan 8.150 nan 0.000 0.460 407 V N 0.712 120.630 119.914 0.007 0.000 2.324 407 V HA -0.324 3.796 4.120 -0.000 0.000 0.250 407 V C 2.397 178.493 176.094 0.003 0.000 1.060 407 V CA 2.512 64.814 62.300 0.003 0.000 1.042 407 V CB -0.870 30.952 31.823 -0.002 0.000 0.650 407 V HN 0.617 nan 8.190 nan 0.000 0.450 408 E N -0.072 120.130 120.200 0.004 0.000 2.006 408 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 408 E C 1.572 178.175 176.600 0.005 0.000 0.993 408 E CA 1.408 57.811 56.400 0.004 0.000 0.808 408 E CB -0.049 29.655 29.700 0.006 0.000 0.764 408 E HN 0.657 nan 8.360 nan 0.000 0.449 409 E N -0.269 119.934 120.200 0.006 0.000 2.685 409 E HA 0.249 4.599 4.350 -0.000 0.000 0.208 409 E C 0.110 176.713 176.600 0.006 0.000 0.996 409 E CA 0.002 56.405 56.400 0.005 0.000 1.054 409 E CB 1.254 30.955 29.700 0.002 0.000 1.075 409 E HN 0.323 nan 8.360 nan 0.000 0.460 410 G N 1.039 109.844 108.800 0.007 0.000 2.593 410 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.237 410 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.237 410 G C -0.263 174.644 174.900 0.011 0.000 1.312 410 G CA -0.335 44.770 45.100 0.009 0.000 0.896 410 G HN 0.628 nan 8.290 nan 0.000 0.574 411 V N -3.070 116.851 119.914 0.012 0.000 3.147 411 V HA 0.976 5.096 4.120 -0.000 0.000 0.306 411 V C -0.154 175.949 176.094 0.015 0.000 1.209 411 V CA 0.379 62.687 62.300 0.014 0.000 1.023 411 V CB 1.478 33.310 31.823 0.015 0.000 1.059 411 V HN 2.635 nan 8.190 nan 0.000 0.435 412 V N 2.113 122.037 119.914 0.016 0.000 3.178 412 V HA 0.894 5.014 4.120 -0.000 0.000 0.302 412 V C 0.484 176.590 176.094 0.021 0.000 1.262 412 V CA -0.250 62.061 62.300 0.018 0.000 1.030 412 V CB 1.869 33.702 31.823 0.017 0.000 1.074 412 V HN 2.670 nan 8.190 nan 0.000 0.438 413 A N 3.632 126.467 122.820 0.025 0.000 2.500 413 A HA 0.399 4.719 4.320 -0.000 0.000 0.286 413 A C 1.071 178.668 177.584 0.023 0.000 1.170 413 A CA 1.101 53.155 52.037 0.028 0.000 0.951 413 A CB -1.363 17.659 19.000 0.037 0.000 0.965 413 A HN 2.088 nan 8.150 nan 0.000 0.551 414 G N 1.412 110.224 108.800 0.020 0.000 2.468 414 G HA2 0.507 4.467 3.960 -0.000 0.000 0.264 414 G HA3 0.507 4.467 3.960 -0.000 0.000 0.264 414 G C 1.270 176.181 174.900 0.018 0.000 1.460 414 G CA -0.054 45.056 45.100 0.017 0.000 1.060 414 G HN 2.214 nan 8.290 nan 0.000 0.543 415 G N -2.254 106.556 108.800 0.015 0.000 2.249 415 G HA2 0.224 4.184 3.960 -0.000 0.000 0.273 415 G HA3 0.224 4.184 3.960 -0.000 0.000 0.273 415 G C 1.502 176.410 174.900 0.013 0.000 1.036 415 G CA 1.176 46.287 45.100 0.017 0.000 0.824 415 G HN 2.488 nan 8.290 nan 0.000 0.504 416 G N -2.835 105.969 108.800 0.008 0.000 2.241 416 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.244 416 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.244 416 G C 1.907 176.810 174.900 0.004 0.000 0.998 416 G CA 1.789 46.890 45.100 0.001 0.000 0.621 416 G HN 2.038 nan 8.290 nan 0.000 0.519 417 V N -0.896 119.025 119.914 0.012 0.000 2.283 417 V HA 0.292 4.412 4.120 -0.000 0.000 0.243 417 V C 3.101 179.207 176.094 0.020 0.000 1.039 417 V CA 2.287 64.597 62.300 0.017 0.000 1.016 417 V CB -1.758 30.079 31.823 0.023 0.000 0.650 417 V HN 1.702 nan 8.190 nan 0.000 0.449 418 A N 1.583 124.415 122.820 0.020 0.000 1.899 418 A HA -0.303 4.017 4.320 -0.000 0.000 0.230 418 A C 2.278 179.872 177.584 0.016 0.000 1.593 418 A CA 3.214 55.263 52.037 0.019 0.000 0.728 418 A CB -1.140 17.869 19.000 0.015 0.000 0.848 418 A HN 0.630 nan 8.150 nan 0.000 0.490 419 L N -0.974 120.256 121.223 0.012 0.000 2.005 419 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 419 L C 2.614 179.491 176.870 0.011 0.000 1.072 419 L CA 1.644 56.490 54.840 0.009 0.000 0.744 419 L CB -0.781 41.282 42.059 0.006 0.000 0.895 419 L HN 0.444 nan 8.230 nan 0.000 0.433 420 I N -0.306 120.271 120.570 0.011 0.000 2.315 420 I HA -0.303 3.867 4.170 -0.000 0.000 0.251 420 I C 2.809 178.939 176.117 0.021 0.000 1.125 420 I CA 0.913 62.220 61.300 0.013 0.000 1.392 420 I CB -0.456 37.551 38.000 0.012 0.000 1.065 420 I HN 0.284 nan 8.210 nan 0.000 0.424 421 R N 1.505 122.021 120.500 0.026 0.000 2.082 421 R HA -0.111 4.229 4.340 -0.000 0.000 0.228 421 R C 2.201 178.516 176.300 0.025 0.000 1.140 421 R CA 1.873 57.993 56.100 0.033 0.000 0.920 421 R CB -1.126 29.197 30.300 0.038 0.000 0.828 421 R HN 0.096 nan 8.270 nan 0.000 0.430 422 V N 1.272 121.198 119.914 0.019 0.000 2.218 422 V HA -0.344 3.776 4.120 -0.000 0.000 0.251 422 V C 2.283 178.385 176.094 0.012 0.000 1.057 422 V CA 2.610 64.918 62.300 0.014 0.000 1.022 422 V CB -1.254 30.575 31.823 0.010 0.000 0.645 422 V HN 0.626 nan 8.190 nan 0.000 0.451 423 A N 0.240 123.066 122.820 0.011 0.000 2.245 423 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 423 A C 2.335 179.926 177.584 0.011 0.000 1.171 423 A CA 2.091 54.133 52.037 0.009 0.000 0.688 423 A CB -0.623 18.381 19.000 0.007 0.000 0.781 423 A HN 0.798 nan 8.150 nan 0.000 0.479 424 S N -0.992 114.717 115.700 0.015 0.000 2.478 424 S HA 0.042 4.512 4.470 -0.000 0.000 0.222 424 S C 1.666 176.275 174.600 0.015 0.000 1.008 424 S CA 0.725 58.935 58.200 0.017 0.000 0.928 424 S CB -0.033 63.182 63.200 0.024 0.000 0.781 424 S HN 0.624 nan 8.310 nan 0.000 0.518 425 K N 1.375 121.784 120.400 0.014 0.000 2.067 425 K HA 0.266 4.586 4.320 -0.000 0.000 0.203 425 K C 1.270 177.875 176.600 0.008 0.000 1.048 425 K CA 0.737 57.031 56.287 0.011 0.000 0.954 425 K CB -0.414 32.093 32.500 0.012 0.000 0.737 425 K HN 0.310 nan 8.250 nan 0.000 0.444 426 L N 1.655 122.882 121.223 0.007 0.000 2.885 426 L HA -0.024 4.316 4.340 -0.000 0.000 0.258 426 L C 1.752 178.625 176.870 0.004 0.000 1.146 426 L CA -0.327 54.516 54.840 0.005 0.000 0.922 426 L CB -0.692 41.369 42.059 0.004 0.000 1.138 426 L HN 0.192 nan 8.230 nan 0.000 0.431 427 A N -0.636 122.187 122.820 0.005 0.000 2.172 427 A HA -0.142 4.177 4.320 -0.000 0.000 0.216 427 A C 1.756 179.342 177.584 0.003 0.000 1.154 427 A CA 1.194 53.233 52.037 0.005 0.000 0.701 427 A CB -0.155 18.848 19.000 0.006 0.000 0.789 427 A HN 0.384 nan 8.150 nan 0.000 0.465 428 D N -1.183 119.219 120.400 0.003 0.000 2.389 428 D HA 0.101 4.741 4.640 -0.000 0.000 0.206 428 D C 0.350 176.651 176.300 0.002 0.000 1.055 428 D CA -0.215 53.786 54.000 0.002 0.000 0.856 428 D CB 0.024 40.825 40.800 0.002 0.000 0.957 428 D HN 0.346 nan 8.370 nan 0.000 0.509 429 L N 2.240 123.464 121.223 0.002 0.000 2.578 429 L HA 0.002 4.342 4.340 -0.000 0.000 0.279 429 L C 0.175 177.045 176.870 0.001 0.000 1.227 429 L CA 0.772 55.612 54.840 0.001 0.000 0.900 429 L CB 0.068 42.127 42.059 0.001 0.000 1.144 429 L HN -0.159 nan 8.230 nan 0.000 0.496 430 R N 3.129 123.629 120.500 0.000 0.000 2.855 430 R HA 0.710 5.050 4.340 -0.000 0.000 0.266 430 R C -0.239 176.061 176.300 -0.000 0.000 1.034 430 R CA -0.331 55.769 56.100 -0.000 0.000 0.944 430 R CB 1.500 31.800 30.300 -0.000 0.000 1.219 430 R HN 0.798 nan 8.270 nan 0.000 0.474 431 G N -0.329 108.470 108.800 -0.001 0.000 3.212 431 G HA2 0.220 4.180 3.960 -0.000 0.000 0.188 431 G HA3 0.220 4.180 3.960 -0.000 0.000 0.188 431 G C 0.043 174.942 174.900 -0.001 0.000 1.254 431 G CA -0.174 44.925 45.100 -0.001 0.000 0.957 431 G HN 0.416 nan 8.290 nan 0.000 0.596 432 Q N -0.387 119.412 119.800 -0.001 0.000 2.204 432 Q HA 0.115 4.455 4.340 -0.000 0.000 0.198 432 Q C -0.093 175.906 176.000 -0.002 0.000 0.946 432 Q CA 0.664 56.466 55.803 -0.002 0.000 0.859 432 Q CB 0.156 28.893 28.738 -0.002 0.000 0.946 432 Q HN 0.589 nan 8.270 nan 0.000 0.474 433 N N -1.474 117.225 118.700 -0.002 0.000 2.321 433 N HA 0.401 5.141 4.740 -0.000 0.000 0.290 433 N C -0.039 175.470 175.510 -0.001 0.000 1.212 433 N CA -0.031 53.018 53.050 -0.002 0.000 0.767 433 N CB 0.710 39.196 38.487 -0.002 0.000 1.494 433 N HN -0.070 nan 8.380 nan 0.000 0.479 434 A N 0.425 123.244 122.820 -0.001 0.000 1.903 434 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 434 A C 1.026 178.609 177.584 -0.001 0.000 1.191 434 A CA 2.061 54.097 52.037 -0.001 0.000 0.638 434 A CB -0.996 18.004 19.000 -0.001 0.000 0.823 434 A HN 0.755 nan 8.150 nan 0.000 0.451 435 D N -1.179 119.220 120.400 -0.002 0.000 2.411 435 D HA -0.068 4.571 4.640 -0.000 0.000 0.226 435 D C 1.675 177.974 176.300 -0.001 0.000 0.988 435 D CA 1.012 55.011 54.000 -0.002 0.000 0.938 435 D CB -0.042 40.756 40.800 -0.002 0.000 0.883 435 D HN 0.732 nan 8.370 nan 0.000 0.525 436 Q N -1.005 118.794 119.800 -0.001 0.000 2.404 436 Q HA 0.090 4.430 4.340 -0.000 0.000 0.262 436 Q C 1.401 177.401 176.000 -0.001 0.000 0.846 436 Q CA -0.222 55.580 55.803 -0.001 0.000 0.978 436 Q CB 0.527 29.264 28.738 -0.001 0.000 1.156 436 Q HN 0.029 nan 8.270 nan 0.000 0.548 437 N N 0.187 118.887 118.700 -0.001 0.000 2.166 437 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 437 N C 1.669 177.179 175.510 0.000 0.000 1.019 437 N CA 1.089 54.139 53.050 -0.000 0.000 0.856 437 N CB -0.003 38.484 38.487 -0.000 0.000 0.993 437 N HN 0.045 nan 8.380 nan 0.000 0.426 438 V N 0.646 120.560 119.914 -0.000 0.000 2.548 438 V HA -0.062 4.058 4.120 -0.000 0.000 0.249 438 V C 2.279 178.374 176.094 0.000 0.000 1.055 438 V CA 1.689 63.989 62.300 0.000 0.000 1.065 438 V CB -0.973 30.850 31.823 -0.000 0.000 0.681 438 V HN 0.321 nan 8.190 nan 0.000 0.462 439 G N -0.504 108.296 108.800 0.000 0.000 2.535 439 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.218 439 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.218 439 G C 1.394 176.294 174.900 0.001 0.000 1.122 439 G CA 0.689 45.790 45.100 0.000 0.000 0.769 439 G HN 0.510 nan 8.290 nan 0.000 0.549 440 I N -0.504 120.066 120.570 0.001 0.000 2.726 440 I HA 0.050 4.220 4.170 -0.000 0.000 0.243 440 I C 2.390 178.507 176.117 0.001 0.000 1.082 440 I CA 0.176 61.477 61.300 0.001 0.000 1.447 440 I CB -0.111 37.889 38.000 0.001 0.000 1.250 440 I HN -0.160 nan 8.210 nan 0.000 0.453 441 K N 1.031 121.431 120.400 0.001 0.000 2.163 441 K HA -0.191 4.129 4.320 -0.000 0.000 0.210 441 K C 2.076 178.677 176.600 0.001 0.000 1.048 441 K CA 1.221 57.509 56.287 0.001 0.000 0.928 441 K CB -0.993 31.508 32.500 0.001 0.000 0.716 441 K HN 0.195 nan 8.250 nan 0.000 0.459 442 V N 1.238 121.153 119.914 0.001 0.000 2.295 442 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 442 V C 2.404 178.499 176.094 0.002 0.000 1.049 442 V CA 2.040 64.341 62.300 0.002 0.000 1.024 442 V CB -0.710 31.114 31.823 0.002 0.000 0.648 442 V HN 0.369 nan 8.190 nan 0.000 0.447 443 A N -0.903 121.918 122.820 0.002 0.000 2.067 443 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 443 A C 2.129 179.714 177.584 0.002 0.000 1.158 443 A CA 1.462 53.501 52.037 0.003 0.000 0.661 443 A CB -0.344 18.658 19.000 0.002 0.000 0.801 443 A HN 0.539 nan 8.150 nan 0.000 0.452 444 L N -1.589 119.635 121.223 0.002 0.000 2.071 444 L HA -0.001 4.339 4.340 -0.000 0.000 0.201 444 L C 2.616 179.488 176.870 0.002 0.000 1.076 444 L CA 1.191 56.032 54.840 0.003 0.000 0.755 444 L CB -0.573 41.488 42.059 0.003 0.000 0.915 444 L HN 0.369 nan 8.230 nan 0.000 0.445 445 R N 0.933 121.434 120.500 0.002 0.000 2.261 445 R HA -0.176 4.164 4.340 -0.000 0.000 0.236 445 R C 1.650 177.950 176.300 -0.001 0.000 1.141 445 R CA 1.303 57.404 56.100 0.000 0.000 1.001 445 R CB -0.088 30.213 30.300 0.000 0.000 0.866 445 R HN 0.381 nan 8.270 nan 0.000 0.468 446 A N -0.425 122.396 122.820 0.001 0.000 2.307 446 A HA 0.141 4.461 4.320 -0.000 0.000 0.218 446 A C 1.459 179.043 177.584 0.001 0.000 1.228 446 A CA -0.080 51.958 52.037 0.001 0.000 0.857 446 A CB 0.089 19.090 19.000 0.003 0.000 0.897 446 A HN 0.316 nan 8.150 nan 0.000 0.495 447 M N -1.395 118.205 119.600 0.001 0.000 2.461 447 M HA 0.119 4.599 4.480 -0.000 0.000 0.255 447 M C 1.072 177.372 176.300 -0.001 0.000 1.137 447 M CA 0.435 55.735 55.300 0.001 0.000 1.086 447 M CB 0.161 32.763 32.600 0.003 0.000 1.356 447 M HN 0.332 nan 8.290 nan 0.000 0.487 448 E N 1.076 121.274 120.200 -0.003 0.000 2.511 448 E HA 0.032 4.382 4.350 -0.000 0.000 0.196 448 E C 1.755 178.346 176.600 -0.014 0.000 1.066 448 E CA 0.223 56.619 56.400 -0.008 0.000 0.871 448 E CB 0.144 29.839 29.700 -0.008 0.000 0.863 448 E HN 0.461 nan 8.360 nan 0.000 0.520 449 A N 2.047 124.861 122.820 -0.010 0.000 1.832 449 A HA -0.044 4.276 4.320 -0.000 0.000 0.214 449 A C -0.371 177.203 177.584 -0.017 0.000 1.204 449 A CA 0.688 52.717 52.037 -0.013 0.000 0.606 449 A CB -1.436 17.559 19.000 -0.007 0.000 0.849 449 A HN 0.080 nan 8.150 nan 0.000 0.445 450 P HA -0.211 nan 4.420 nan 0.000 0.217 450 P C 1.667 178.953 177.300 -0.024 0.000 1.158 450 P CA 1.395 64.488 63.100 -0.013 0.000 0.887 450 P CB -0.061 31.636 31.700 -0.005 0.000 0.792 451 L N -0.653 120.553 121.223 -0.029 0.000 1.961 451 L HA -0.101 4.239 4.340 -0.000 0.000 0.209 451 L C 2.393 179.219 176.870 -0.072 0.000 1.075 451 L CA 1.775 56.584 54.840 -0.050 0.000 0.749 451 L CB -0.914 41.114 42.059 -0.051 0.000 0.890 451 L HN -0.287 nan 8.230 nan 0.000 0.433 452 R N -1.011 119.451 120.500 -0.064 0.000 2.257 452 R HA -0.309 4.031 4.340 -0.000 0.000 0.265 452 R C 2.235 178.497 176.300 -0.063 0.000 1.191 452 R CA 1.914 57.974 56.100 -0.067 0.000 1.010 452 R CB -0.331 29.943 30.300 -0.043 0.000 0.883 452 R HN 0.493 nan 8.270 nan 0.000 0.473 453 Q N 0.493 120.262 119.800 -0.050 0.000 2.013 453 Q HA 0.004 4.344 4.340 -0.000 0.000 0.195 453 Q C 1.888 177.858 176.000 -0.049 0.000 0.974 453 Q CA 1.381 57.160 55.803 -0.041 0.000 0.826 453 Q CB -0.041 28.681 28.738 -0.027 0.000 0.895 453 Q HN 0.335 nan 8.270 nan 0.000 0.448 454 I N -0.019 120.522 120.570 -0.049 0.000 2.315 454 I HA -0.239 3.931 4.170 -0.000 0.000 0.251 454 I C 1.918 177.991 176.117 -0.073 0.000 1.125 454 I CA 0.861 62.134 61.300 -0.044 0.000 1.392 454 I CB -0.585 37.398 38.000 -0.030 0.000 1.065 454 I HN 0.015 nan 8.210 nan 0.000 0.424 455 V N 0.912 120.747 119.914 -0.131 0.000 2.913 455 V HA -0.199 3.921 4.120 -0.000 0.000 0.260 455 V C 2.200 178.224 176.094 -0.117 0.000 1.098 455 V CA 1.316 63.495 62.300 -0.201 0.000 1.121 455 V CB -0.343 31.311 31.823 -0.283 0.000 0.714 455 V HN 0.371 nan 8.190 nan 0.000 0.487 456 L N 0.105 121.282 121.223 -0.076 0.000 2.298 456 L HA 0.197 4.537 4.340 -0.000 0.000 0.209 456 L C 1.807 178.658 176.870 -0.032 0.000 1.084 456 L CA 1.294 56.105 54.840 -0.049 0.000 0.816 456 L CB -0.453 41.582 42.059 -0.039 0.000 0.967 456 L HN 0.251 nan 8.230 nan 0.000 0.460 457 N N -1.269 117.414 118.700 -0.029 0.000 2.575 457 N HA -0.051 4.689 4.740 -0.000 0.000 0.192 457 N C 0.656 176.160 175.510 -0.009 0.000 1.200 457 N CA 0.693 53.733 53.050 -0.016 0.000 0.897 457 N CB -0.327 38.153 38.487 -0.013 0.000 0.990 457 N HN 0.372 nan 8.380 nan 0.000 0.449 458 C N -1.469 117.823 119.300 -0.013 0.000 3.525 458 C HA 0.391 4.851 4.460 -0.000 0.000 0.289 458 C C 1.636 176.625 174.990 -0.001 0.000 1.496 458 C CA -0.352 58.667 59.018 0.001 0.000 1.804 458 C CB -0.448 27.302 27.740 0.017 0.000 2.708 458 C HN 0.480 nan 8.230 nan 0.000 0.642 459 G N 1.774 110.568 108.800 -0.011 0.000 2.180 459 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.263 459 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.263 459 G C -0.237 174.658 174.900 -0.008 0.000 0.989 459 G CA 0.560 45.655 45.100 -0.008 0.000 0.692 459 G HN 0.573 nan 8.290 nan 0.000 0.526 460 E N 0.979 121.168 120.200 -0.020 0.000 2.156 460 E HA 0.280 4.630 4.350 -0.000 0.000 0.279 460 E C 0.442 177.014 176.600 -0.047 0.000 0.965 460 E CA -0.527 55.860 56.400 -0.022 0.000 0.789 460 E CB 0.757 30.444 29.700 -0.021 0.000 1.098 460 E HN 0.580 nan 8.360 nan 0.000 0.397 461 E N 4.277 124.462 120.200 -0.026 0.000 2.757 461 E HA -0.097 4.253 4.350 -0.000 0.000 0.238 461 E C -1.560 175.007 176.600 -0.054 0.000 1.057 461 E CA -0.814 55.569 56.400 -0.028 0.000 0.952 461 E CB 0.228 29.924 29.700 -0.008 0.000 0.934 461 E HN 0.210 nan 8.360 nan 0.000 0.518 462 P HA -0.141 nan 4.420 nan 0.000 0.219 462 P C 1.026 178.292 177.300 -0.057 0.000 1.150 462 P CA 0.817 63.864 63.100 -0.089 0.000 0.814 462 P CB 0.309 31.964 31.700 -0.074 0.000 0.787 463 S N -0.325 115.355 115.700 -0.034 0.000 2.393 463 S HA -0.181 4.289 4.470 -0.000 0.000 0.234 463 S C 1.917 176.511 174.600 -0.009 0.000 1.064 463 S CA 1.880 60.070 58.200 -0.017 0.000 1.088 463 S CB -1.581 61.614 63.200 -0.009 0.000 0.939 463 S HN -0.004 nan 8.310 nan 0.000 0.448 464 V N 1.203 121.115 119.914 -0.004 0.000 2.278 464 V HA -0.072 4.048 4.120 -0.000 0.000 0.238 464 V C 2.339 178.452 176.094 0.032 0.000 1.039 464 V CA 1.202 63.515 62.300 0.021 0.000 1.017 464 V CB -1.013 30.835 31.823 0.042 0.000 0.657 464 V HN 0.359 nan 8.190 nan 0.000 0.462 465 V N 0.762 120.682 119.914 0.010 0.000 2.353 465 V HA -0.404 3.716 4.120 -0.000 0.000 0.260 465 V C 2.596 178.697 176.094 0.011 0.000 1.091 465 V CA 2.505 64.802 62.300 -0.005 0.000 1.088 465 V CB -1.362 30.250 31.823 -0.351 0.000 0.672 465 V HN 0.597 nan 8.190 nan 0.000 0.455 466 A N 0.218 123.020 122.820 -0.029 0.000 1.832 466 A HA -0.234 4.086 4.320 -0.000 0.000 0.214 466 A C 2.049 179.643 177.584 0.017 0.000 1.204 466 A CA 1.850 53.878 52.037 -0.015 0.000 0.606 466 A CB -0.911 18.072 19.000 -0.027 0.000 0.849 466 A HN 0.607 nan 8.150 nan 0.000 0.445 467 N N -0.537 118.172 118.700 0.016 0.000 2.111 467 N HA -0.198 4.542 4.740 -0.000 0.000 0.197 467 N C 1.591 177.121 175.510 0.033 0.000 1.011 467 N CA 2.771 55.834 53.050 0.022 0.000 0.880 467 N CB -0.526 37.972 38.487 0.018 0.000 1.031 467 N HN 0.394 nan 8.380 nan 0.000 0.444 468 T N -0.861 113.719 114.554 0.043 0.000 2.812 468 T HA -0.006 4.344 4.350 -0.000 0.000 0.264 468 T C 1.832 176.561 174.700 0.049 0.000 1.042 468 T CA 1.089 63.205 62.100 0.027 0.000 1.140 468 T CB -0.224 68.632 68.868 -0.019 0.000 0.870 468 T HN 0.073 nan 8.240 nan 0.000 0.445 469 V N 1.404 121.353 119.914 0.057 0.000 2.626 469 V HA -0.122 3.998 4.120 -0.000 0.000 0.252 469 V C 2.384 178.530 176.094 0.087 0.000 1.067 469 V CA 1.432 63.749 62.300 0.028 0.000 1.081 469 V CB -0.442 31.395 31.823 0.023 0.000 0.686 469 V HN 0.448 nan 8.190 nan 0.000 0.468 470 K N 0.458 120.898 120.400 0.067 0.000 2.031 470 K HA -0.032 4.288 4.320 -0.000 0.000 0.205 470 K C 2.004 178.647 176.600 0.073 0.000 1.049 470 K CA 1.205 57.529 56.287 0.061 0.000 0.939 470 K CB -0.586 31.936 32.500 0.037 0.000 0.717 470 K HN 0.527 nan 8.250 nan 0.000 0.438 471 G N 0.737 109.578 108.800 0.069 0.000 2.894 471 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.203 471 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.203 471 G C 0.429 175.365 174.900 0.061 0.000 1.173 471 G CA 0.682 45.814 45.100 0.053 0.000 0.854 471 G HN 0.376 nan 8.290 nan 0.000 0.510 472 G N -0.493 108.373 108.800 0.110 0.000 3.291 472 G HA2 0.618 4.578 3.960 -0.000 0.000 0.173 472 G HA3 0.618 4.578 3.960 -0.000 0.000 0.173 472 G C -1.299 173.647 174.900 0.078 0.000 1.099 472 G CA 0.145 45.293 45.100 0.081 0.000 0.794 472 G HN 0.408 nan 8.290 nan 0.000 0.651 473 D N -3.033 117.427 120.400 0.100 0.000 2.808 473 D HA 0.526 5.166 4.640 -0.000 0.000 0.294 473 D C 0.407 176.765 176.300 0.097 0.000 1.278 473 D CA 0.678 54.726 54.000 0.080 0.000 0.756 473 D CB 0.387 41.206 40.800 0.030 0.000 1.271 473 D HN 1.963 nan 8.370 nan 0.000 0.425 474 G N 0.176 109.021 108.800 0.076 0.000 2.553 474 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.242 474 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.242 474 G C -0.172 174.790 174.900 0.104 0.000 1.277 474 G CA 0.043 45.188 45.100 0.075 0.000 0.910 474 G HN 0.792 nan 8.290 nan 0.000 0.576 475 N N 0.028 118.791 118.700 0.106 0.000 2.322 475 N HA 0.183 4.923 4.740 -0.000 0.000 0.216 475 N C 0.059 175.665 175.510 0.160 0.000 1.144 475 N CA -0.158 52.956 53.050 0.106 0.000 0.830 475 N CB 0.172 38.705 38.487 0.076 0.000 1.034 475 N HN 0.485 nan 8.380 nan 0.000 0.484 476 Y N 1.470 121.799 120.300 0.048 0.000 2.537 476 Y HA 0.301 4.851 4.550 -0.000 0.000 0.339 476 Y C 0.570 176.534 175.900 0.107 0.000 1.066 476 Y CA -0.269 57.871 58.100 0.068 0.000 1.357 476 Y CB 0.006 38.493 38.460 0.046 0.000 1.175 476 Y HN -0.027 nan 8.280 nan 0.000 0.525 477 G N 4.608 113.308 108.800 -0.167 0.000 3.247 477 G HA2 0.308 4.268 3.960 -0.000 0.000 0.226 477 G HA3 0.308 4.268 3.960 -0.000 0.000 0.226 477 G C -2.203 172.653 174.900 -0.074 0.000 1.220 477 G CA -0.879 44.134 45.100 -0.145 0.000 0.875 477 G HN 0.594 nan 8.290 nan 0.000 0.606 478 Y N 0.906 121.115 120.300 -0.151 0.000 2.346 478 Y HA 0.544 5.094 4.550 -0.000 0.000 0.332 478 Y C -0.553 175.218 175.900 -0.214 0.000 0.985 478 Y CA -1.197 56.727 58.100 -0.294 0.000 1.112 478 Y CB 1.753 39.992 38.460 -0.368 0.000 1.170 478 Y HN 0.438 nan 8.280 nan 0.000 0.447 479 N N 4.489 122.931 118.700 -0.432 0.000 2.411 479 N HA 0.192 4.932 4.740 -0.000 0.000 0.259 479 N C 0.556 175.901 175.510 -0.275 0.000 1.103 479 N CA 0.772 53.671 53.050 -0.252 0.000 0.954 479 N CB 1.784 40.127 38.487 -0.240 0.000 1.085 479 N HN 0.979 nan 8.380 nan 0.000 0.485 480 A N 4.562 127.416 122.820 0.056 0.000 1.858 480 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 480 A C 2.069 179.673 177.584 0.033 0.000 1.190 480 A CA 2.034 54.175 52.037 0.173 0.000 0.617 480 A CB -1.018 18.048 19.000 0.109 0.000 0.827 480 A HN 0.755 nan 8.150 nan 0.000 0.443 481 A N -0.484 122.322 122.820 -0.024 0.000 1.858 481 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 481 A C 2.483 180.022 177.584 -0.076 0.000 1.190 481 A CA 2.841 54.855 52.037 -0.038 0.000 0.617 481 A CB -1.474 17.506 19.000 -0.033 0.000 0.827 481 A HN 0.879 nan 8.150 nan 0.000 0.443 482 T N -3.570 110.907 114.554 -0.129 0.000 3.055 482 T HA 0.024 4.374 4.350 -0.000 0.000 0.265 482 T C 0.553 175.124 174.700 -0.216 0.000 1.111 482 T CA 1.113 63.124 62.100 -0.148 0.000 1.118 482 T CB -0.379 68.401 68.868 -0.147 0.000 0.909 482 T HN 0.594 nan 8.240 nan 0.000 0.501 483 E N 0.507 120.495 120.200 -0.354 0.000 3.070 483 E HA -0.126 4.224 4.350 -0.000 0.000 0.285 483 E C -0.799 175.448 176.600 -0.588 0.000 0.972 483 E CA 0.764 56.890 56.400 -0.458 0.000 0.915 483 E CB -1.164 28.450 29.700 -0.143 0.000 1.466 483 E HN 0.691 nan 8.360 nan 0.000 0.432 484 E N -0.453 119.358 120.200 -0.648 0.000 2.317 484 E HA 0.392 4.742 4.350 -0.000 0.000 0.270 484 E C -0.226 176.077 176.600 -0.495 0.000 0.885 484 E CA -0.622 55.516 56.400 -0.437 0.000 0.760 484 E CB 1.006 30.603 29.700 -0.172 0.000 1.227 484 E HN -0.021 nan 8.360 nan 0.000 0.434 485 Y N 0.533 120.717 120.300 -0.194 0.000 2.262 485 Y HA 0.568 5.118 4.550 -0.000 0.000 0.368 485 Y C 1.524 177.418 175.900 -0.010 0.000 1.352 485 Y CA 0.810 58.829 58.100 -0.135 0.000 1.760 485 Y CB 0.459 38.881 38.460 -0.064 0.000 1.627 485 Y HN 0.727 nan 8.280 nan 0.000 0.606 486 G N -0.339 108.636 108.800 0.292 0.000 2.315 486 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.296 486 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.296 486 G C -1.614 173.435 174.900 0.249 0.000 1.289 486 G CA -1.002 44.272 45.100 0.290 0.000 0.996 486 G HN 0.646 nan 8.290 nan 0.000 0.487 487 N N 1.253 120.056 118.700 0.171 0.000 2.399 487 N HA 0.143 4.883 4.740 -0.000 0.000 0.259 487 N C 1.902 177.458 175.510 0.077 0.000 1.160 487 N CA -0.430 52.698 53.050 0.130 0.000 0.946 487 N CB 0.574 39.117 38.487 0.093 0.000 1.156 487 N HN 0.439 nan 8.380 nan 0.000 0.489 488 M N 3.378 123.019 119.600 0.067 0.000 2.267 488 M HA -0.159 4.321 4.480 -0.000 0.000 0.263 488 M C 1.463 177.781 176.300 0.031 0.000 1.063 488 M CA 0.940 56.262 55.300 0.037 0.000 1.090 488 M CB -0.452 32.169 32.600 0.034 0.000 1.392 488 M HN 0.540 nan 8.290 nan 0.000 0.422 489 I N 0.225 120.817 120.570 0.038 0.000 2.277 489 I HA -0.204 3.966 4.170 -0.000 0.000 0.243 489 I C 1.893 178.025 176.117 0.024 0.000 1.094 489 I CA 1.223 62.541 61.300 0.029 0.000 1.393 489 I CB -1.302 36.716 38.000 0.030 0.000 1.078 489 I HN 0.216 nan 8.210 nan 0.000 0.417 490 D N 0.800 121.217 120.400 0.029 0.000 2.117 490 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 490 D C 2.190 178.500 176.300 0.017 0.000 0.987 490 D CA 1.090 55.104 54.000 0.023 0.000 0.829 490 D CB -0.142 40.675 40.800 0.028 0.000 0.961 490 D HN 0.293 nan 8.370 nan 0.000 0.460 491 M N -0.352 119.258 119.600 0.017 0.000 2.700 491 M HA 0.048 4.528 4.480 -0.000 0.000 0.249 491 M C 1.067 177.368 176.300 0.002 0.000 1.082 491 M CA 0.764 56.067 55.300 0.005 0.000 1.077 491 M CB -0.010 32.589 32.600 -0.002 0.000 1.477 491 M HN 0.083 nan 8.290 nan 0.000 0.529 492 G N 1.993 110.797 108.800 0.007 0.000 2.160 492 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.251 492 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.251 492 G C 0.011 174.915 174.900 0.006 0.000 1.008 492 G CA -0.177 44.926 45.100 0.006 0.000 0.724 492 G HN 0.533 nan 8.290 nan 0.000 0.514 493 I N 0.831 121.405 120.570 0.008 0.000 2.371 493 I HA 0.579 4.749 4.170 -0.000 0.000 0.282 493 I C 0.138 176.263 176.117 0.014 0.000 1.031 493 I CA -0.850 60.456 61.300 0.009 0.000 1.180 493 I CB 0.645 38.649 38.000 0.006 0.000 1.336 493 I HN 0.261 nan 8.210 nan 0.000 0.467 494 L N 3.795 125.026 121.223 0.014 0.000 2.710 494 L HA 0.703 5.043 4.340 -0.000 0.000 0.260 494 L C -1.726 175.153 176.870 0.015 0.000 0.993 494 L CA -0.806 54.044 54.840 0.016 0.000 0.877 494 L CB 1.782 43.851 42.059 0.017 0.000 1.461 494 L HN 0.115 nan 8.230 nan 0.000 0.413 495 D N -0.168 120.241 120.400 0.016 0.000 2.619 495 D HA 0.519 5.159 4.640 -0.000 0.000 0.241 495 D C -2.813 173.497 176.300 0.017 0.000 1.087 495 D CA -1.264 52.746 54.000 0.017 0.000 0.851 495 D CB 2.210 43.019 40.800 0.016 0.000 1.474 495 D HN 0.349 nan 8.370 nan 0.000 0.478 496 P HA -0.012 nan 4.420 nan 0.000 0.267 496 P C 0.884 178.194 177.300 0.016 0.000 1.201 496 P CA 0.177 63.289 63.100 0.020 0.000 0.775 496 P CB 0.610 32.325 31.700 0.026 0.000 0.854 497 T N 0.968 115.530 114.554 0.013 0.000 2.812 497 T HA -0.140 4.210 4.350 -0.000 0.000 0.264 497 T C 1.640 176.343 174.700 0.005 0.000 1.042 497 T CA 1.070 63.175 62.100 0.008 0.000 1.140 497 T CB -0.375 68.496 68.868 0.006 0.000 0.870 497 T HN 0.479 nan 8.240 nan 0.000 0.445 498 K N 0.925 121.329 120.400 0.008 0.000 2.049 498 K HA -0.230 4.090 4.320 -0.000 0.000 0.219 498 K C 2.397 179.000 176.600 0.006 0.000 1.056 498 K CA 2.236 58.526 56.287 0.006 0.000 0.946 498 K CB -0.640 31.870 32.500 0.017 0.000 0.723 498 K HN 0.314 nan 8.250 nan 0.000 0.453 499 V N -0.273 119.652 119.914 0.018 0.000 2.261 499 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 499 V C 1.776 177.879 176.094 0.016 0.000 1.047 499 V CA 2.555 64.869 62.300 0.023 0.000 1.015 499 V CB -1.041 30.799 31.823 0.028 0.000 0.642 499 V HN 0.421 nan 8.190 nan 0.000 0.446 500 T N 0.108 114.669 114.554 0.011 0.000 2.946 500 T HA -0.140 4.210 4.350 -0.000 0.000 0.271 500 T C 1.793 176.492 174.700 -0.003 0.000 1.104 500 T CA 1.945 64.049 62.100 0.008 0.000 1.114 500 T CB -0.368 68.505 68.868 0.008 0.000 0.867 500 T HN 0.693 nan 8.240 nan 0.000 0.513 501 R N 0.872 121.364 120.500 -0.013 0.000 2.046 501 R HA 0.005 4.345 4.340 -0.000 0.000 0.223 501 R C 2.623 178.886 176.300 -0.062 0.000 1.179 501 R CA 1.278 57.357 56.100 -0.035 0.000 0.952 501 R CB -0.508 29.767 30.300 -0.042 0.000 0.843 501 R HN 0.144 nan 8.270 nan 0.000 0.439 502 S N 0.951 116.606 115.700 -0.074 0.000 2.393 502 S HA -0.317 4.153 4.470 -0.000 0.000 0.235 502 S C 2.056 176.634 174.600 -0.036 0.000 1.061 502 S CA 1.850 59.975 58.200 -0.124 0.000 1.129 502 S CB -0.668 62.529 63.200 -0.005 0.000 1.011 502 S HN 0.618 nan 8.310 nan 0.000 0.436 503 A N 0.746 123.592 122.820 0.042 0.000 1.948 503 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 503 A C 2.140 179.751 177.584 0.045 0.000 1.177 503 A CA 1.821 53.902 52.037 0.073 0.000 0.636 503 A CB -0.662 18.368 19.000 0.050 0.000 0.815 503 A HN 0.442 nan 8.150 nan 0.000 0.449 504 L N -0.487 120.740 121.223 0.006 0.000 2.156 504 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 504 L C 2.378 179.241 176.870 -0.012 0.000 1.095 504 L CA 1.979 56.819 54.840 -0.001 0.000 0.770 504 L CB -0.541 41.512 42.059 -0.011 0.000 0.914 504 L HN 0.511 nan 8.230 nan 0.000 0.439 505 Q N -1.706 118.057 119.800 -0.062 0.000 2.008 505 Q HA -0.164 4.176 4.340 -0.000 0.000 0.196 505 Q C 2.187 178.175 176.000 -0.021 0.000 0.973 505 Q CA 1.636 57.381 55.803 -0.097 0.000 0.826 505 Q CB -0.479 28.122 28.738 -0.229 0.000 0.894 505 Q HN 0.413 nan 8.270 nan 0.000 0.439 506 Y N 1.029 121.330 120.300 0.002 0.000 2.193 506 Y HA -0.255 4.295 4.550 -0.000 0.000 0.285 506 Y C 2.455 178.356 175.900 0.001 0.000 1.166 506 Y CA 0.982 59.083 58.100 0.002 0.000 1.181 506 Y CB -0.969 37.492 38.460 0.002 0.000 0.976 506 Y HN 0.187 nan 8.280 nan 0.000 0.520 507 A N -0.107 122.809 122.820 0.160 0.000 1.902 507 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 507 A C 2.534 180.157 177.584 0.065 0.000 1.181 507 A CA 2.031 54.121 52.037 0.089 0.000 0.623 507 A CB -1.248 17.787 19.000 0.059 0.000 0.818 507 A HN 0.402 nan 8.150 nan 0.000 0.443 508 A N -0.645 122.207 122.820 0.053 0.000 1.858 508 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 508 A C 2.450 180.061 177.584 0.044 0.000 1.190 508 A CA 2.306 54.364 52.037 0.035 0.000 0.617 508 A CB -1.234 17.776 19.000 0.017 0.000 0.827 508 A HN 0.665 nan 8.150 nan 0.000 0.443 509 S N -0.574 115.167 115.700 0.067 0.000 2.427 509 S HA -0.224 4.246 4.470 -0.000 0.000 0.231 509 S C 1.902 176.535 174.600 0.055 0.000 1.045 509 S CA 2.397 60.642 58.200 0.074 0.000 1.154 509 S CB -0.952 62.329 63.200 0.136 0.000 1.093 509 S HN 0.408 nan 8.310 nan 0.000 0.422 510 V N 2.877 122.827 119.914 0.059 0.000 2.215 510 V HA -0.298 3.822 4.120 -0.000 0.000 0.249 510 V C 2.928 179.037 176.094 0.025 0.000 1.054 510 V CA 2.484 64.805 62.300 0.035 0.000 1.012 510 V CB -1.713 30.127 31.823 0.029 0.000 0.639 510 V HN 0.755 nan 8.190 nan 0.000 0.448 511 A N 0.193 123.028 122.820 0.025 0.000 1.954 511 A HA -0.290 4.030 4.320 -0.000 0.000 0.222 511 A C 2.350 179.942 177.584 0.014 0.000 1.199 511 A CA 2.740 54.787 52.037 0.017 0.000 0.657 511 A CB -1.542 17.468 19.000 0.017 0.000 0.823 511 A HN 0.675 nan 8.150 nan 0.000 0.463 512 G N -0.193 108.617 108.800 0.017 0.000 2.587 512 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 512 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 512 G C 1.517 176.423 174.900 0.010 0.000 1.240 512 G CA 1.192 46.299 45.100 0.013 0.000 0.794 512 G HN 0.501 nan 8.290 nan 0.000 0.580 513 L N -0.198 121.033 121.223 0.012 0.000 2.030 513 L HA -0.272 4.067 4.340 -0.000 0.000 0.222 513 L C 3.149 180.021 176.870 0.003 0.000 1.082 513 L CA 1.937 56.783 54.840 0.009 0.000 0.785 513 L CB -0.596 41.469 42.059 0.011 0.000 0.895 513 L HN 0.270 nan 8.230 nan 0.000 0.439 514 M N -0.586 119.015 119.600 0.003 0.000 2.159 514 M HA -0.188 4.292 4.480 -0.000 0.000 0.263 514 M C 2.210 178.508 176.300 -0.004 0.000 1.063 514 M CA 1.728 57.027 55.300 -0.002 0.000 1.110 514 M CB -0.335 32.264 32.600 -0.002 0.000 1.374 514 M HN 0.237 nan 8.290 nan 0.000 0.411 515 I N -0.415 120.155 120.570 -0.001 0.000 2.830 515 I HA -0.139 4.031 4.170 -0.000 0.000 0.263 515 I C 1.307 177.422 176.117 -0.003 0.000 1.230 515 I CA 0.972 62.271 61.300 -0.002 0.000 1.480 515 I CB -0.547 37.454 38.000 0.001 0.000 1.095 515 I HN 0.321 nan 8.210 nan 0.000 0.455 516 T N -2.502 112.051 114.554 -0.002 0.000 3.268 516 T HA 0.283 4.633 4.350 -0.000 0.000 0.258 516 T C 0.197 174.894 174.700 -0.005 0.000 0.966 516 T CA -0.407 61.690 62.100 -0.004 0.000 0.952 516 T CB -0.210 68.656 68.868 -0.002 0.000 1.132 516 T HN -0.105 nan 8.240 nan 0.000 0.536 517 T N 1.437 115.987 114.554 -0.006 0.000 2.829 517 T HA 0.467 4.817 4.350 -0.000 0.000 0.280 517 T C 0.254 174.953 174.700 -0.002 0.000 0.999 517 T CA -0.649 61.447 62.100 -0.005 0.000 0.983 517 T CB 2.141 71.002 68.868 -0.011 0.000 0.968 517 T HN 0.093 nan 8.240 nan 0.000 0.446 518 E N 0.303 120.508 120.200 0.009 0.000 2.541 518 E HA 0.195 4.545 4.350 -0.000 0.000 0.219 518 E C -0.121 176.549 176.600 0.118 0.000 0.922 518 E CA 0.083 56.499 56.400 0.028 0.000 1.095 518 E CB 0.945 30.633 29.700 -0.020 0.000 1.112 518 E HN 0.548 nan 8.360 nan 0.000 0.516 519 C N 0.960 120.329 119.300 0.115 0.000 2.686 519 C HA 0.685 5.145 4.460 -0.000 0.000 0.318 519 C C -1.308 173.711 174.990 0.048 0.000 1.160 519 C CA -0.562 58.593 59.018 0.229 0.000 1.396 519 C CB 0.410 28.355 27.740 0.342 0.000 1.924 519 C HN 0.110 nan 8.230 nan 0.000 0.471 520 M N 5.276 124.834 119.600 -0.070 0.000 2.326 520 M HA 0.547 5.027 4.480 -0.000 0.000 0.306 520 M C -1.178 175.078 176.300 -0.074 0.000 1.054 520 M CA -0.625 54.580 55.300 -0.159 0.000 0.922 520 M CB 2.126 34.443 32.600 -0.472 0.000 1.632 520 M HN 0.356 nan 8.290 nan 0.000 0.436 521 V N 1.783 121.726 119.914 0.050 0.000 2.380 521 V HA 0.506 4.626 4.120 -0.000 0.000 0.286 521 V C -0.355 175.831 176.094 0.153 0.000 1.015 521 V CA -0.299 62.067 62.300 0.109 0.000 0.834 521 V CB 1.739 33.608 31.823 0.077 0.000 1.009 521 V HN 0.965 nan 8.190 nan 0.000 0.428 522 T N 2.479 117.163 114.554 0.217 0.000 2.901 522 T HA 0.477 4.827 4.350 -0.000 0.000 0.293 522 T C -0.484 174.230 174.700 0.023 0.000 1.084 522 T CA -0.483 61.690 62.100 0.121 0.000 1.008 522 T CB 1.758 70.706 68.868 0.133 0.000 1.170 522 T HN 0.634 nan 8.240 nan 0.000 0.509 523 D N 0.977 121.370 120.400 -0.012 0.000 2.335 523 D HA 0.281 4.921 4.640 -0.000 0.000 0.236 523 D C -0.248 176.006 176.300 -0.077 0.000 1.297 523 D CA -0.013 53.967 54.000 -0.034 0.000 0.906 523 D CB 0.256 41.038 40.800 -0.032 0.000 1.164 523 D HN 0.183 nan 8.370 nan 0.000 0.469 524 L N 2.140 123.323 121.223 -0.067 0.000 2.334 524 L HA 0.286 4.626 4.340 -0.000 0.000 0.277 524 L C -1.782 175.032 176.870 -0.092 0.000 1.075 524 L CA -1.940 52.849 54.840 -0.086 0.000 0.804 524 L CB 0.868 42.892 42.059 -0.058 0.000 1.174 524 L HN 0.305 nan 8.230 nan 0.000 0.438 525 P HA -0.069 nan 4.420 nan 0.000 0.314 525 P C -0.825 176.433 177.300 -0.069 0.000 1.521 525 P CA 0.779 63.818 63.100 -0.102 0.000 0.754 525 P CB -0.231 31.400 31.700 -0.115 0.000 1.692 526 K N 0.000 120.366 120.400 -0.057 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 56.262 56.287 -0.042 0.000 0.838 526 K CB 0.000 32.478 32.500 -0.037 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543