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 1mnf_1_I DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.005 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 3 A N 0.849 123.668 122.820 -0.001 0.000 2.511 3 A HA 0.535 4.854 4.320 -0.001 0.000 0.242 3 A C 0.202 177.787 177.584 0.001 0.000 1.069 3 A CA 0.339 52.379 52.037 0.005 0.000 0.763 3 A CB -0.110 18.896 19.000 0.009 0.000 1.001 3 A HN 0.599 nan 8.150 nan 0.000 0.498 4 K N 1.140 121.545 120.400 0.008 0.000 2.185 4 K HA 0.451 4.771 4.320 -0.001 0.000 0.240 4 K C -1.175 175.445 176.600 0.033 0.000 0.983 4 K CA -0.687 55.602 56.287 0.004 0.000 0.873 4 K CB 1.419 33.918 32.500 -0.000 0.000 1.118 4 K HN 0.719 nan 8.250 nan 0.000 0.441 5 D N 0.944 121.377 120.400 0.054 0.000 2.408 5 D HA 0.299 4.939 4.640 -0.001 0.000 0.243 5 D C -1.301 175.129 176.300 0.217 0.000 1.075 5 D CA -0.589 53.498 54.000 0.146 0.000 0.832 5 D CB 1.173 42.101 40.800 0.213 0.000 1.162 5 D HN 0.053 nan 8.370 nan 0.000 0.515 6 V N 4.852 124.835 119.914 0.115 0.000 2.384 6 V HA 0.422 4.542 4.120 -0.001 0.000 0.287 6 V C 0.378 176.362 176.094 -0.183 0.000 1.020 6 V CA -0.729 61.552 62.300 -0.032 0.000 0.850 6 V CB 1.535 33.293 31.823 -0.109 0.000 0.987 6 V HN 0.378 nan 8.190 nan 0.000 0.436 7 K N 3.551 123.740 120.400 -0.351 0.000 2.208 7 K HA 0.750 5.069 4.320 -0.001 0.000 0.247 7 K C -1.442 174.825 176.600 -0.556 0.000 0.953 7 K CA -0.518 55.498 56.287 -0.451 0.000 0.837 7 K CB 2.344 34.376 32.500 -0.781 0.000 1.131 7 K HN 0.425 nan 8.250 nan 0.000 0.431 8 F N -0.829 119.058 119.950 -0.105 0.000 2.631 8 F HA 0.322 4.849 4.527 -0.000 0.000 0.328 8 F C 1.427 177.191 175.800 -0.060 0.000 1.067 8 F CA -0.001 57.965 58.000 -0.058 0.000 0.969 8 F CB 1.112 40.089 39.000 -0.038 0.000 1.332 8 F HN 0.809 nan 8.300 nan 0.000 0.490 9 G N 1.351 110.278 108.800 0.212 0.000 2.738 9 G HA2 -0.486 3.473 3.960 -0.001 0.000 0.391 9 G HA3 -0.486 3.473 3.960 -0.001 0.000 0.391 9 G C 1.448 176.372 174.900 0.039 0.000 1.049 9 G CA 1.309 46.467 45.100 0.097 0.000 0.855 9 G HN 0.778 nan 8.290 nan 0.000 0.757 10 N N 0.873 119.588 118.700 0.025 0.000 2.104 10 N HA -0.140 4.599 4.740 -0.001 0.000 0.190 10 N C 1.782 177.280 175.510 -0.020 0.000 1.024 10 N CA 2.162 55.214 53.050 0.002 0.000 0.853 10 N CB -0.384 38.103 38.487 0.000 0.000 1.008 10 N HN 0.518 nan 8.380 nan 0.000 0.424 11 D N 0.772 121.153 120.400 -0.032 0.000 2.104 11 D HA -0.107 4.533 4.640 -0.001 0.000 0.194 11 D C 1.872 178.092 176.300 -0.134 0.000 0.994 11 D CA 1.287 55.237 54.000 -0.084 0.000 0.830 11 D CB -0.507 40.231 40.800 -0.103 0.000 0.959 11 D HN 0.400 nan 8.370 nan 0.000 0.452 12 A N 1.139 123.879 122.820 -0.133 0.000 1.883 12 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 12 A C 2.212 179.763 177.584 -0.055 0.000 1.186 12 A CA 1.411 53.362 52.037 -0.144 0.000 0.624 12 A CB -0.459 18.481 19.000 -0.101 0.000 0.822 12 A HN 0.124 nan 8.150 nan 0.000 0.444 13 R N -0.445 120.039 120.500 -0.027 0.000 2.073 13 R HA -0.134 4.206 4.340 -0.001 0.000 0.234 13 R C 2.239 178.535 176.300 -0.006 0.000 1.134 13 R CA 1.808 57.905 56.100 -0.006 0.000 0.952 13 R CB -0.852 29.449 30.300 0.001 0.000 0.850 13 R HN 0.614 nan 8.270 nan 0.000 0.433 14 V N -0.077 119.827 119.914 -0.016 0.000 2.407 14 V HA -0.207 3.913 4.120 -0.001 0.000 0.248 14 V C 1.972 178.065 176.094 -0.003 0.000 1.055 14 V CA 1.517 63.811 62.300 -0.010 0.000 1.049 14 V CB -0.415 31.398 31.823 -0.016 0.000 0.662 14 V HN 0.103 nan 8.190 nan 0.000 0.455 15 K N 0.221 120.614 120.400 -0.011 0.000 2.009 15 K HA -0.058 4.262 4.320 -0.001 0.000 0.210 15 K C 2.284 178.914 176.600 0.050 0.000 1.049 15 K CA 2.281 58.584 56.287 0.026 0.000 0.929 15 K CB -0.638 31.883 32.500 0.036 0.000 0.714 15 K HN 0.549 nan 8.250 nan 0.000 0.440 16 M N 0.411 120.039 119.600 0.046 0.000 2.080 16 M HA -0.206 4.274 4.480 -0.001 0.000 0.260 16 M C 2.314 178.631 176.300 0.029 0.000 1.068 16 M CA 1.230 56.557 55.300 0.044 0.000 1.109 16 M CB -0.496 32.127 32.600 0.038 0.000 1.342 16 M HN 0.047 nan 8.290 nan 0.000 0.405 17 L N 0.710 121.945 121.223 0.020 0.000 1.990 17 L HA -0.242 4.097 4.340 -0.001 0.000 0.213 17 L C 2.458 179.337 176.870 0.015 0.000 1.072 17 L CA 2.004 56.852 54.840 0.015 0.000 0.755 17 L CB -0.560 41.505 42.059 0.010 0.000 0.889 17 L HN 0.167 nan 8.230 nan 0.000 0.432 18 R N -0.632 119.878 120.500 0.016 0.000 2.091 18 R HA -0.143 4.197 4.340 -0.001 0.000 0.238 18 R C 2.222 178.533 176.300 0.018 0.000 1.136 18 R CA 1.263 57.372 56.100 0.016 0.000 0.959 18 R CB -1.082 29.229 30.300 0.019 0.000 0.856 18 R HN 0.629 nan 8.270 nan 0.000 0.437 19 G N 0.710 109.524 108.800 0.024 0.000 2.421 19 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.216 19 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.216 19 G C 1.471 176.379 174.900 0.013 0.000 1.171 19 G CA 1.081 46.193 45.100 0.021 0.000 0.775 19 G HN 0.342 nan 8.290 nan 0.000 0.543 20 V N -0.373 119.549 119.914 0.013 0.000 2.809 20 V HA -0.046 4.074 4.120 -0.001 0.000 0.256 20 V C 2.118 178.216 176.094 0.007 0.000 1.080 20 V CA 2.013 64.319 62.300 0.009 0.000 1.102 20 V CB -0.476 31.354 31.823 0.011 0.000 0.705 20 V HN 0.194 nan 8.190 nan 0.000 0.475 21 N N 0.925 119.630 118.700 0.008 0.000 2.188 21 N HA -0.062 4.677 4.740 -0.001 0.000 0.184 21 N C 1.803 177.315 175.510 0.004 0.000 1.018 21 N CA 1.724 54.778 53.050 0.006 0.000 0.858 21 N CB -0.299 38.192 38.487 0.006 0.000 0.989 21 N HN 0.505 nan 8.380 nan 0.000 0.426 22 V N 1.604 121.520 119.914 0.004 0.000 2.307 22 V HA -0.175 3.945 4.120 -0.001 0.000 0.245 22 V C 2.380 178.473 176.094 -0.001 0.000 1.045 22 V CA 1.005 63.306 62.300 0.001 0.000 1.024 22 V CB -0.536 31.287 31.823 0.001 0.000 0.651 22 V HN 0.182 nan 8.190 nan 0.000 0.449 23 L N 1.120 122.342 121.223 -0.001 0.000 1.955 23 L HA -0.115 4.224 4.340 -0.001 0.000 0.213 23 L C 2.497 179.365 176.870 -0.003 0.000 1.072 23 L CA 2.663 57.500 54.840 -0.004 0.000 0.755 23 L CB -1.246 40.811 42.059 -0.004 0.000 0.888 23 L HN 0.209 nan 8.230 nan 0.000 0.432 24 A N -0.688 122.131 122.820 -0.001 0.000 1.892 24 A HA -0.273 4.046 4.320 -0.001 0.000 0.218 24 A C 2.014 179.598 177.584 -0.001 0.000 1.188 24 A CA 2.122 54.159 52.037 0.000 0.000 0.631 24 A CB -1.165 17.837 19.000 0.003 0.000 0.822 24 A HN 0.631 nan 8.150 nan 0.000 0.447 25 D N -0.124 120.275 120.400 -0.000 0.000 2.149 25 D HA -0.066 4.574 4.640 -0.001 0.000 0.198 25 D C 2.145 178.443 176.300 -0.002 0.000 0.990 25 D CA 1.526 55.525 54.000 -0.001 0.000 0.839 25 D CB -0.369 40.431 40.800 -0.000 0.000 0.948 25 D HN 0.467 nan 8.370 nan 0.000 0.460 26 A N 0.187 123.005 122.820 -0.003 0.000 1.897 26 A HA -0.059 4.260 4.320 -0.001 0.000 0.215 26 A C 2.474 180.055 177.584 -0.006 0.000 1.181 26 A CA 0.828 52.861 52.037 -0.005 0.000 0.620 26 A CB -0.485 18.511 19.000 -0.007 0.000 0.821 26 A HN 0.142 nan 8.150 nan 0.000 0.443 27 V N 1.254 121.164 119.914 -0.006 0.000 2.407 27 V HA -0.211 3.909 4.120 -0.001 0.000 0.245 27 V C 2.484 178.575 176.094 -0.004 0.000 1.041 27 V CA 2.121 64.417 62.300 -0.006 0.000 1.040 27 V CB -0.597 31.222 31.823 -0.007 0.000 0.671 27 V HN 0.836 nan 8.190 nan 0.000 0.455 28 K N 1.401 121.800 120.400 -0.002 0.000 2.442 28 K HA -0.093 4.226 4.320 -0.001 0.000 0.198 28 K C 1.721 178.320 176.600 -0.001 0.000 1.042 28 K CA 1.637 57.924 56.287 -0.001 0.000 0.958 28 K CB -0.591 31.910 32.500 0.001 0.000 0.766 28 K HN 0.494 nan 8.250 nan 0.000 0.474 29 V N -0.314 119.599 119.914 -0.002 0.000 2.970 29 V HA -0.134 3.986 4.120 -0.001 0.000 0.260 29 V C 2.171 178.265 176.094 -0.001 0.000 1.100 29 V CA 1.660 63.959 62.300 -0.001 0.000 1.122 29 V CB -0.982 30.840 31.823 -0.002 0.000 0.721 29 V HN 0.545 nan 8.190 nan 0.000 0.483 30 T N -2.407 112.145 114.554 -0.002 0.000 3.065 30 T HA 0.224 4.574 4.350 -0.001 0.000 0.252 30 T C 0.643 175.341 174.700 -0.002 0.000 1.099 30 T CA -0.107 61.991 62.100 -0.003 0.000 1.063 30 T CB -0.262 68.603 68.868 -0.004 0.000 0.948 30 T HN 0.338 nan 8.240 nan 0.000 0.506 31 L N 2.715 123.938 121.223 -0.001 0.000 2.490 31 L HA 0.475 4.814 4.340 -0.001 0.000 0.274 31 L C 0.937 177.808 176.870 0.002 0.000 1.201 31 L CA 1.738 56.578 54.840 0.001 0.000 0.869 31 L CB -0.642 41.418 42.059 0.003 0.000 1.123 31 L HN 0.755 nan 8.230 nan 0.000 0.484 32 G N 4.254 113.054 108.800 0.001 0.000 2.746 32 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.685 32 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.685 32 G C -1.921 172.976 174.900 -0.006 0.000 1.350 32 G CA -0.312 44.788 45.100 -0.000 0.000 0.837 32 G HN 0.603 nan 8.290 nan 0.000 0.564 33 P HA 0.016 nan 4.420 nan 0.000 0.225 33 P C 0.846 178.138 177.300 -0.013 0.000 1.148 33 P CA 1.087 64.176 63.100 -0.019 0.000 0.779 33 P CB 0.165 31.844 31.700 -0.035 0.000 0.780 34 K N 0.180 120.577 120.400 -0.006 0.000 2.498 34 K HA 0.250 4.570 4.320 -0.001 0.000 0.207 34 K C 1.092 177.692 176.600 0.001 0.000 1.033 34 K CA -0.232 56.054 56.287 -0.001 0.000 1.138 34 K CB 0.246 32.749 32.500 0.006 0.000 0.860 34 K HN 0.048 nan 8.250 nan 0.000 0.490 35 G N 1.773 110.573 108.800 -0.001 0.000 2.474 35 G HA2 -0.008 3.952 3.960 -0.001 0.000 0.233 35 G HA3 -0.008 3.952 3.960 -0.001 0.000 0.233 35 G C 0.163 175.062 174.900 -0.001 0.000 1.278 35 G CA -0.267 44.833 45.100 -0.001 0.000 0.861 35 G HN 0.072 nan 8.290 nan 0.000 0.567 36 R N 0.831 121.330 120.500 -0.001 0.000 2.553 36 R HA 0.226 4.566 4.340 -0.001 0.000 0.263 36 R C 0.042 176.341 176.300 -0.003 0.000 1.066 36 R CA -0.808 55.291 56.100 -0.002 0.000 1.135 36 R CB 0.468 30.767 30.300 -0.001 0.000 1.148 36 R HN 0.649 nan 8.270 nan 0.000 0.558 37 N N -0.823 117.876 118.700 -0.003 0.000 2.518 37 N HA 0.280 5.020 4.740 -0.001 0.000 0.283 37 N C -0.934 174.574 175.510 -0.004 0.000 1.119 37 N CA -0.374 52.674 53.050 -0.004 0.000 0.983 37 N CB 1.335 39.820 38.487 -0.003 0.000 1.139 37 N HN 0.078 nan 8.380 nan 0.000 0.465 38 V N 2.271 122.182 119.914 -0.005 0.000 2.495 38 V HA 0.321 4.441 4.120 -0.001 0.000 0.298 38 V C -0.385 175.704 176.094 -0.007 0.000 1.031 38 V CA -0.776 61.521 62.300 -0.007 0.000 0.871 38 V CB 1.821 33.639 31.823 -0.007 0.000 0.988 38 V HN 0.333 nan 8.190 nan 0.000 0.432 39 V N 6.653 126.562 119.914 -0.008 0.000 2.350 39 V HA 0.427 4.546 4.120 -0.001 0.000 0.276 39 V C -0.129 175.958 176.094 -0.012 0.000 1.028 39 V CA -0.377 61.918 62.300 -0.009 0.000 0.860 39 V CB 1.158 32.976 31.823 -0.008 0.000 0.990 39 V HN 0.594 nan 8.190 nan 0.000 0.453 40 L N 3.927 125.143 121.223 -0.012 0.000 2.287 40 L HA 0.513 4.853 4.340 -0.001 0.000 0.287 40 L C 0.076 176.934 176.870 -0.019 0.000 1.022 40 L CA -0.518 54.312 54.840 -0.016 0.000 0.814 40 L CB 1.526 43.576 42.059 -0.015 0.000 1.217 40 L HN 0.524 nan 8.230 nan 0.000 0.420 41 D N 3.127 123.511 120.400 -0.026 0.000 2.357 41 D HA 0.264 4.904 4.640 -0.001 0.000 0.242 41 D C -0.527 175.749 176.300 -0.041 0.000 1.153 41 D CA 0.214 54.194 54.000 -0.034 0.000 0.918 41 D CB 0.937 41.712 40.800 -0.042 0.000 1.181 41 D HN 0.340 nan 8.370 nan 0.000 0.435 42 K N -0.108 120.262 120.400 -0.050 0.000 2.426 42 K HA 0.227 4.547 4.320 -0.001 0.000 0.251 42 K C 0.977 177.501 176.600 -0.127 0.000 0.941 42 K CA -0.576 55.676 56.287 -0.057 0.000 0.808 42 K CB 1.817 34.307 32.500 -0.017 0.000 1.265 42 K HN 0.414 nan 8.250 nan 0.000 0.432 43 S N 1.023 116.610 115.700 -0.189 0.000 2.382 43 S HA -0.053 4.417 4.470 -0.001 0.000 0.228 43 S C 0.354 174.502 174.600 -0.753 0.000 1.027 43 S CA 0.882 58.800 58.200 -0.471 0.000 0.991 43 S CB -0.224 62.689 63.200 -0.479 0.000 0.823 43 S HN 0.407 nan 8.310 nan 0.000 0.469 44 F N 1.186 121.134 119.950 -0.004 0.000 2.562 44 F HA 0.697 5.223 4.527 -0.000 0.000 0.319 44 F C 0.787 176.586 175.800 -0.003 0.000 1.154 44 F CA -0.011 57.987 58.000 -0.003 0.000 0.931 44 F CB 1.768 40.766 39.000 -0.003 0.000 1.198 44 F HN 0.467 nan 8.300 nan 0.000 0.444 45 G N 1.336 110.237 108.800 0.169 0.000 2.297 45 G HA2 0.443 4.402 3.960 -0.001 0.000 0.209 45 G HA3 0.443 4.402 3.960 -0.001 0.000 0.209 45 G C -1.659 173.271 174.900 0.050 0.000 1.267 45 G CA -0.392 44.766 45.100 0.096 0.000 1.127 45 G HN 1.041 nan 8.290 nan 0.000 0.498 46 A N 0.591 123.431 122.820 0.034 0.000 2.312 46 A HA 0.893 5.212 4.320 -0.001 0.000 0.328 46 A C -1.975 175.615 177.584 0.010 0.000 1.158 46 A CA -0.909 51.139 52.037 0.019 0.000 0.821 46 A CB 0.487 19.496 19.000 0.016 0.000 1.170 46 A HN 0.640 nan 8.150 nan 0.000 0.490 47 P HA 0.184 nan 4.420 nan 0.000 0.269 47 P C -0.241 177.058 177.300 -0.002 0.000 1.217 47 P CA 0.238 63.335 63.100 -0.005 0.000 0.783 47 P CB 0.340 32.035 31.700 -0.008 0.000 0.898 48 T N 2.175 116.726 114.554 -0.004 0.000 2.799 48 T HA 0.464 4.814 4.350 -0.001 0.000 0.286 48 T C 0.255 174.953 174.700 -0.004 0.000 0.973 48 T CA -0.215 61.884 62.100 -0.003 0.000 1.035 48 T CB 0.009 68.875 68.868 -0.004 0.000 0.932 48 T HN 0.178 nan 8.240 nan 0.000 0.469 49 I N 3.134 123.703 120.570 -0.003 0.000 2.328 49 I HA 0.401 4.570 4.170 -0.001 0.000 0.287 49 I C 0.461 176.576 176.117 -0.003 0.000 1.012 49 I CA -0.372 60.926 61.300 -0.003 0.000 1.195 49 I CB 1.424 39.423 38.000 -0.002 0.000 1.350 49 I HN 0.504 nan 8.210 nan 0.000 0.464 50 T N 4.634 119.185 114.554 -0.005 0.000 2.896 50 T HA 0.418 4.767 4.350 -0.001 0.000 0.297 50 T C 0.076 174.773 174.700 -0.005 0.000 1.108 50 T CA -0.583 61.514 62.100 -0.005 0.000 1.004 50 T CB 1.695 70.559 68.868 -0.006 0.000 1.159 50 T HN 0.614 nan 8.240 nan 0.000 0.499 51 K N 1.546 121.943 120.400 -0.005 0.000 2.478 51 K HA 0.190 4.509 4.320 -0.001 0.000 0.205 51 K C -0.669 175.928 176.600 -0.006 0.000 1.033 51 K CA -0.243 56.041 56.287 -0.005 0.000 1.091 51 K CB 0.496 32.994 32.500 -0.004 0.000 0.844 51 K HN 0.444 nan 8.250 nan 0.000 0.507 52 D N 0.396 120.792 120.400 -0.007 0.000 2.441 52 D HA 0.103 4.743 4.640 -0.001 0.000 0.221 52 D C 1.265 177.559 176.300 -0.010 0.000 1.156 52 D CA -0.153 53.842 54.000 -0.008 0.000 0.896 52 D CB 1.002 41.797 40.800 -0.008 0.000 1.028 52 D HN 0.222 nan 8.370 nan 0.000 0.509 53 G N 2.381 111.175 108.800 -0.010 0.000 2.503 53 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.221 53 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.221 53 G C 1.532 176.423 174.900 -0.016 0.000 1.131 53 G CA 0.918 46.011 45.100 -0.012 0.000 0.756 53 G HN 0.483 nan 8.290 nan 0.000 0.572 54 V N 0.827 120.730 119.914 -0.019 0.000 2.343 54 V HA -0.182 3.937 4.120 -0.001 0.000 0.247 54 V C 3.094 179.175 176.094 -0.022 0.000 1.051 54 V CA 2.215 64.501 62.300 -0.024 0.000 1.036 54 V CB -0.535 31.271 31.823 -0.029 0.000 0.654 54 V HN 0.389 nan 8.190 nan 0.000 0.451 55 S N -0.085 115.605 115.700 -0.018 0.000 2.370 55 S HA -0.175 4.295 4.470 -0.001 0.000 0.226 55 S C 2.013 176.603 174.600 -0.017 0.000 1.033 55 S CA 1.577 59.767 58.200 -0.017 0.000 1.011 55 S CB -0.248 62.944 63.200 -0.013 0.000 0.852 55 S HN 0.396 nan 8.310 nan 0.000 0.457 56 V N 2.102 122.006 119.914 -0.016 0.000 2.295 56 V HA -0.201 3.918 4.120 -0.001 0.000 0.246 56 V C 2.691 178.774 176.094 -0.018 0.000 1.049 56 V CA 1.665 63.956 62.300 -0.015 0.000 1.024 56 V CB -1.333 30.483 31.823 -0.013 0.000 0.648 56 V HN 0.540 nan 8.190 nan 0.000 0.447 57 A N -0.153 122.656 122.820 -0.019 0.000 1.917 57 A HA -0.317 4.003 4.320 -0.001 0.000 0.219 57 A C 2.422 179.992 177.584 -0.024 0.000 1.182 57 A CA 2.323 54.347 52.037 -0.021 0.000 0.633 57 A CB -0.672 18.314 19.000 -0.024 0.000 0.819 57 A HN 0.469 nan 8.150 nan 0.000 0.448 58 R N -0.638 119.847 120.500 -0.025 0.000 2.096 58 R HA -0.133 4.207 4.340 -0.001 0.000 0.235 58 R C 1.389 177.673 176.300 -0.027 0.000 1.127 58 R CA 1.495 57.578 56.100 -0.028 0.000 0.968 58 R CB -0.106 30.178 30.300 -0.028 0.000 0.861 58 R HN 0.483 nan 8.270 nan 0.000 0.440 59 E N 0.217 120.402 120.200 -0.024 0.000 2.435 59 E HA -0.014 4.336 4.350 -0.001 0.000 0.195 59 E C 0.252 176.838 176.600 -0.023 0.000 1.029 59 E CA 0.196 56.582 56.400 -0.024 0.000 0.865 59 E CB 0.198 29.884 29.700 -0.022 0.000 0.833 59 E HN 0.229 nan 8.360 nan 0.000 0.510 60 I N 2.102 122.659 120.570 -0.022 0.000 2.436 60 I HA 0.121 4.291 4.170 -0.001 0.000 0.289 60 I C 0.353 176.458 176.117 -0.021 0.000 1.083 60 I CA 0.254 61.542 61.300 -0.019 0.000 1.372 60 I CB -0.028 37.962 38.000 -0.016 0.000 1.408 60 I HN -0.066 nan 8.210 nan 0.000 0.516 61 E N 7.047 127.235 120.200 -0.021 0.000 2.291 61 E HA 0.472 4.822 4.350 -0.001 0.000 0.276 61 E C -1.573 175.015 176.600 -0.020 0.000 0.896 61 E CA -0.589 55.797 56.400 -0.023 0.000 0.774 61 E CB 1.976 31.660 29.700 -0.027 0.000 1.227 61 E HN 0.439 nan 8.360 nan 0.000 0.413 62 L N 3.338 124.550 121.223 -0.019 0.000 2.360 62 L HA 0.357 4.697 4.340 -0.001 0.000 0.271 62 L C 1.543 178.403 176.870 -0.017 0.000 1.057 62 L CA -0.359 54.473 54.840 -0.013 0.000 0.803 62 L CB 1.403 43.459 42.059 -0.004 0.000 1.207 62 L HN 0.751 nan 8.230 nan 0.000 0.445 63 E N 0.833 121.027 120.200 -0.011 0.000 2.072 63 E HA -0.176 4.173 4.350 -0.001 0.000 0.191 63 E C 0.532 177.125 176.600 -0.011 0.000 0.985 63 E CA 0.578 56.971 56.400 -0.013 0.000 0.801 63 E CB 0.263 29.959 29.700 -0.007 0.000 0.750 63 E HN 0.644 nan 8.360 nan 0.000 0.452 64 D N 0.738 121.142 120.400 0.007 0.000 2.358 64 D HA -0.053 4.587 4.640 -0.001 0.000 0.258 64 D C 0.640 176.937 176.300 -0.005 0.000 1.223 64 D CA 0.039 54.056 54.000 0.028 0.000 0.886 64 D CB 0.890 41.732 40.800 0.070 0.000 1.120 64 D HN 0.071 nan 8.370 nan 0.000 0.482 65 K N 3.472 123.823 120.400 -0.082 0.000 2.089 65 K HA -0.196 4.124 4.320 -0.001 0.000 0.210 65 K C 1.887 178.333 176.600 -0.257 0.000 1.048 65 K CA 1.288 57.444 56.287 -0.219 0.000 0.926 65 K CB -0.318 31.961 32.500 -0.368 0.000 0.714 65 K HN 0.484 nan 8.250 nan 0.000 0.448 66 F N 1.713 121.648 119.950 -0.025 0.000 2.146 66 F HA -0.074 4.453 4.527 -0.000 0.000 0.298 66 F C 2.431 178.217 175.800 -0.022 0.000 1.096 66 F CA 1.103 59.086 58.000 -0.028 0.000 1.275 66 F CB -0.440 38.542 39.000 -0.030 0.000 1.008 66 F HN 0.105 nan 8.300 nan 0.000 0.480 67 E N -0.119 120.178 120.200 0.161 0.000 2.110 67 E HA -0.240 4.109 4.350 -0.001 0.000 0.193 67 E C 1.804 178.427 176.600 0.038 0.000 0.988 67 E CA 1.218 57.669 56.400 0.084 0.000 0.804 67 E CB -0.321 29.416 29.700 0.063 0.000 0.745 67 E HN 0.313 nan 8.360 nan 0.000 0.458 68 N N 0.645 119.351 118.700 0.009 0.000 2.142 68 N HA -0.130 4.609 4.740 -0.001 0.000 0.186 68 N C 1.731 177.230 175.510 -0.019 0.000 1.023 68 N CA 1.162 54.203 53.050 -0.016 0.000 0.852 68 N CB 0.015 38.477 38.487 -0.041 0.000 0.998 68 N HN 0.048 nan 8.380 nan 0.000 0.424 69 M N -0.657 118.928 119.600 -0.026 0.000 2.149 69 M HA -0.053 4.427 4.480 -0.001 0.000 0.261 69 M C 2.099 178.403 176.300 0.006 0.000 1.064 69 M CA 1.651 56.939 55.300 -0.020 0.000 1.102 69 M CB -0.494 32.093 32.600 -0.022 0.000 1.369 69 M HN 0.311 nan 8.290 nan 0.000 0.408 70 G N -0.166 108.649 108.800 0.025 0.000 2.421 70 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.216 70 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.216 70 G C 1.619 176.527 174.900 0.012 0.000 1.171 70 G CA 0.998 46.114 45.100 0.026 0.000 0.775 70 G HN 0.545 nan 8.290 nan 0.000 0.543 71 A N 0.026 122.850 122.820 0.007 0.000 1.877 71 A HA -0.067 4.252 4.320 -0.001 0.000 0.216 71 A C 2.408 179.987 177.584 -0.008 0.000 1.186 71 A CA 2.001 54.038 52.037 -0.001 0.000 0.620 71 A CB -0.405 18.592 19.000 -0.004 0.000 0.822 71 A HN 0.304 nan 8.150 nan 0.000 0.443 72 Q N -0.509 119.283 119.800 -0.012 0.000 2.170 72 Q HA -0.127 4.213 4.340 -0.001 0.000 0.203 72 Q C 2.113 178.104 176.000 -0.015 0.000 0.976 72 Q CA 1.530 57.322 55.803 -0.018 0.000 0.858 72 Q CB -0.571 28.153 28.738 -0.024 0.000 0.907 72 Q HN 0.789 nan 8.270 nan 0.000 0.433 73 M N -0.281 119.315 119.600 -0.007 0.000 2.077 73 M HA -0.127 4.353 4.480 -0.001 0.000 0.261 73 M C 2.305 178.605 176.300 -0.000 0.000 1.070 73 M CA 1.509 56.808 55.300 -0.001 0.000 1.125 73 M CB -0.490 32.114 32.600 0.008 0.000 1.339 73 M HN 0.174 nan 8.290 nan 0.000 0.409 74 V N -0.290 119.625 119.914 0.002 0.000 2.548 74 V HA -0.194 3.925 4.120 -0.001 0.000 0.249 74 V C 2.098 178.186 176.094 -0.011 0.000 1.055 74 V CA 1.845 64.147 62.300 0.004 0.000 1.065 74 V CB -0.641 31.188 31.823 0.009 0.000 0.681 74 V HN 0.463 nan 8.190 nan 0.000 0.462 75 K N -0.550 119.840 120.400 -0.016 0.000 2.103 75 K HA -0.216 4.104 4.320 -0.001 0.000 0.207 75 K C 2.312 178.886 176.600 -0.043 0.000 1.048 75 K CA 1.899 58.170 56.287 -0.027 0.000 0.930 75 K CB -0.134 32.351 32.500 -0.025 0.000 0.716 75 K HN 0.555 nan 8.250 nan 0.000 0.444 76 E N 0.146 120.323 120.200 -0.040 0.000 2.028 76 E HA -0.138 4.212 4.350 -0.001 0.000 0.190 76 E C 2.061 178.609 176.600 -0.087 0.000 0.984 76 E CA 1.569 57.937 56.400 -0.054 0.000 0.800 76 E CB -0.105 29.573 29.700 -0.036 0.000 0.758 76 E HN 0.311 nan 8.360 nan 0.000 0.448 77 V N -0.947 118.929 119.914 -0.064 0.000 2.667 77 V HA 0.027 4.146 4.120 -0.001 0.000 0.252 77 V C 2.255 178.236 176.094 -0.187 0.000 1.065 77 V CA 1.587 63.828 62.300 -0.099 0.000 1.083 77 V CB -0.641 31.214 31.823 0.054 0.000 0.692 77 V HN 0.162 nan 8.190 nan 0.000 0.468 78 A N 1.844 124.607 122.820 -0.095 0.000 1.902 78 A HA -0.165 4.155 4.320 -0.001 0.000 0.217 78 A C 2.632 180.122 177.584 -0.156 0.000 1.181 78 A CA 2.520 54.505 52.037 -0.086 0.000 0.623 78 A CB -1.105 17.871 19.000 -0.039 0.000 0.818 78 A HN 0.990 nan 8.150 nan 0.000 0.443 79 S N -0.036 115.572 115.700 -0.154 0.000 2.419 79 S HA -0.186 4.284 4.470 -0.001 0.000 0.233 79 S C 1.793 176.247 174.600 -0.244 0.000 1.016 79 S CA 1.490 59.596 58.200 -0.157 0.000 0.974 79 S CB -0.430 62.701 63.200 -0.115 0.000 0.786 79 S HN 0.594 nan 8.310 nan 0.000 0.492 80 K N 1.375 121.537 120.400 -0.397 0.000 2.152 80 K HA -0.015 4.304 4.320 -0.001 0.000 0.206 80 K C 2.494 178.708 176.600 -0.643 0.000 1.048 80 K CA 1.185 57.111 56.287 -0.602 0.000 0.933 80 K CB -0.563 31.328 32.500 -1.015 0.000 0.721 80 K HN 0.554 nan 8.250 nan 0.000 0.447 81 A N 1.776 124.252 122.820 -0.573 0.000 1.858 81 A HA -0.227 4.093 4.320 -0.001 0.000 0.216 81 A C 1.916 179.447 177.584 -0.088 0.000 1.190 81 A CA 1.910 53.847 52.037 -0.167 0.000 0.617 81 A CB -0.733 18.265 19.000 -0.002 0.000 0.827 81 A HN 0.275 nan 8.150 nan 0.000 0.443 82 N N 0.111 118.743 118.700 -0.113 0.000 2.149 82 N HA -0.151 4.589 4.740 -0.001 0.000 0.188 82 N C 1.141 176.582 175.510 -0.116 0.000 1.019 82 N CA 1.664 54.655 53.050 -0.098 0.000 0.857 82 N CB -0.194 38.234 38.487 -0.099 0.000 0.997 82 N HN 0.446 nan 8.380 nan 0.000 0.426 83 D N -0.458 119.865 120.400 -0.129 0.000 2.117 83 D HA -0.052 4.587 4.640 -0.001 0.000 0.198 83 D C 1.710 177.967 176.300 -0.072 0.000 0.982 83 D CA 1.128 55.060 54.000 -0.114 0.000 0.828 83 D CB -0.388 40.342 40.800 -0.118 0.000 0.967 83 D HN 0.349 nan 8.370 nan 0.000 0.464 84 A N 0.250 123.049 122.820 -0.036 0.000 1.968 84 A HA 0.238 4.558 4.320 -0.001 0.000 0.217 84 A C 1.927 179.527 177.584 0.027 0.000 1.169 84 A CA 1.689 53.745 52.037 0.032 0.000 0.638 84 A CB 0.050 19.134 19.000 0.139 0.000 0.812 84 A HN 0.219 nan 8.150 nan 0.000 0.446 85 A N -2.797 120.028 122.820 0.008 0.000 2.628 85 A HA 0.479 4.798 4.320 -0.001 0.000 0.267 85 A C 1.477 179.049 177.584 -0.021 0.000 1.159 85 A CA 0.933 52.977 52.037 0.012 0.000 0.972 85 A CB -0.368 18.652 19.000 0.034 0.000 1.211 85 A HN 1.819 nan 8.150 nan 0.000 0.576 86 G N -0.503 108.243 108.800 -0.090 0.000 2.155 86 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.257 86 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.257 86 G C -0.151 174.695 174.900 -0.090 0.000 0.983 86 G CA 0.769 45.766 45.100 -0.171 0.000 0.676 86 G HN 0.917 nan 8.290 nan 0.000 0.528 87 D N -3.159 117.211 120.400 -0.050 0.000 2.755 87 D HA 0.561 5.201 4.640 -0.001 0.000 0.277 87 D C 0.830 177.124 176.300 -0.011 0.000 1.261 87 D CA 1.412 55.396 54.000 -0.027 0.000 0.759 87 D CB 0.295 41.091 40.800 -0.007 0.000 1.279 87 D HN 1.373 nan 8.370 nan 0.000 0.420 88 G N -0.204 108.593 108.800 -0.006 0.000 2.179 88 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.220 88 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.220 88 G C 1.039 175.940 174.900 0.002 0.000 0.990 88 G CA 1.423 46.527 45.100 0.007 0.000 0.646 88 G HN 0.957 nan 8.290 nan 0.000 0.517 89 T N -1.607 112.936 114.554 -0.019 0.000 2.674 89 T HA -0.120 4.230 4.350 -0.001 0.000 0.265 89 T C 2.220 176.913 174.700 -0.012 0.000 1.039 89 T CA 2.610 64.694 62.100 -0.027 0.000 1.150 89 T CB -0.875 67.966 68.868 -0.044 0.000 0.864 89 T HN 0.304 nan 8.240 nan 0.000 0.427 90 T N 1.871 116.419 114.554 -0.011 0.000 2.684 90 T HA -0.124 4.226 4.350 -0.001 0.000 0.267 90 T C 2.269 176.971 174.700 0.002 0.000 1.036 90 T CA 1.946 64.043 62.100 -0.005 0.000 1.148 90 T CB -1.057 67.808 68.868 -0.005 0.000 0.863 90 T HN 0.521 nan 8.240 nan 0.000 0.436 91 T N 1.918 116.476 114.554 0.007 0.000 2.684 91 T HA -0.070 4.279 4.350 -0.001 0.000 0.267 91 T C 2.376 177.088 174.700 0.020 0.000 1.036 91 T CA 1.269 63.377 62.100 0.013 0.000 1.148 91 T CB -0.609 68.269 68.868 0.017 0.000 0.863 91 T HN 0.443 nan 8.240 nan 0.000 0.436 92 A N 1.136 123.972 122.820 0.026 0.000 1.908 92 A HA -0.154 4.166 4.320 -0.001 0.000 0.218 92 A C 2.552 180.153 177.584 0.029 0.000 1.181 92 A CA 2.213 54.274 52.037 0.041 0.000 0.627 92 A CB -1.259 17.774 19.000 0.055 0.000 0.818 92 A HN 0.490 nan 8.150 nan 0.000 0.445 93 T N -0.308 114.255 114.554 0.014 0.000 2.708 93 T HA -0.139 4.211 4.350 -0.001 0.000 0.266 93 T C 2.026 176.732 174.700 0.011 0.000 1.037 93 T CA 2.041 64.146 62.100 0.009 0.000 1.146 93 T CB -0.737 68.131 68.868 0.000 0.000 0.865 93 T HN 0.694 nan 8.240 nan 0.000 0.435 94 V N 0.569 120.489 119.914 0.010 0.000 2.515 94 V HA -0.003 4.117 4.120 -0.001 0.000 0.250 94 V C 2.223 178.324 176.094 0.012 0.000 1.058 94 V CA 1.347 63.652 62.300 0.009 0.000 1.064 94 V CB -1.017 30.811 31.823 0.007 0.000 0.675 94 V HN 0.458 nan 8.190 nan 0.000 0.461 95 L N 0.606 121.839 121.223 0.016 0.000 2.046 95 L HA -0.063 4.277 4.340 -0.001 0.000 0.208 95 L C 3.059 179.941 176.870 0.019 0.000 1.077 95 L CA 1.746 56.597 54.840 0.018 0.000 0.747 95 L CB -0.893 41.180 42.059 0.024 0.000 0.896 95 L HN 0.471 nan 8.230 nan 0.000 0.432 96 A N -0.511 122.322 122.820 0.022 0.000 1.902 96 A HA -0.283 4.037 4.320 -0.001 0.000 0.217 96 A C 2.257 179.851 177.584 0.016 0.000 1.181 96 A CA 1.804 53.855 52.037 0.022 0.000 0.623 96 A CB -0.581 18.434 19.000 0.025 0.000 0.818 96 A HN 0.505 nan 8.150 nan 0.000 0.443 97 Q N -0.450 119.358 119.800 0.013 0.000 2.124 97 Q HA -0.138 4.202 4.340 -0.001 0.000 0.202 97 Q C 2.135 178.141 176.000 0.010 0.000 0.977 97 Q CA 1.664 57.473 55.803 0.011 0.000 0.850 97 Q CB -0.345 28.398 28.738 0.008 0.000 0.901 97 Q HN 0.596 nan 8.270 nan 0.000 0.429 98 A N 0.959 123.785 122.820 0.010 0.000 1.855 98 A HA -0.151 4.169 4.320 -0.001 0.000 0.215 98 A C 2.010 179.600 177.584 0.009 0.000 1.191 98 A CA 1.439 53.481 52.037 0.008 0.000 0.613 98 A CB -0.706 18.299 19.000 0.008 0.000 0.829 98 A HN 0.478 nan 8.150 nan 0.000 0.442 99 I N -0.247 120.329 120.570 0.011 0.000 2.179 99 I HA -0.269 3.901 4.170 -0.001 0.000 0.242 99 I C 2.364 178.487 176.117 0.010 0.000 1.088 99 I CA 1.440 62.746 61.300 0.011 0.000 1.357 99 I CB -0.485 37.523 38.000 0.012 0.000 1.051 99 I HN 0.296 nan 8.210 nan 0.000 0.409 100 I N 0.473 121.051 120.570 0.012 0.000 2.163 100 I HA -0.285 3.884 4.170 -0.001 0.000 0.243 100 I C 2.645 178.767 176.117 0.010 0.000 1.085 100 I CA 1.645 62.952 61.300 0.012 0.000 1.347 100 I CB -0.668 37.340 38.000 0.014 0.000 1.044 100 I HN 0.261 nan 8.210 nan 0.000 0.408 101 T N 0.288 114.847 114.554 0.009 0.000 2.635 101 T HA -0.185 4.165 4.350 -0.001 0.000 0.267 101 T C 1.843 176.547 174.700 0.006 0.000 1.040 101 T CA 1.438 63.542 62.100 0.007 0.000 1.156 101 T CB -0.174 68.697 68.868 0.006 0.000 0.863 101 T HN 0.292 nan 8.240 nan 0.000 0.430 102 E N 0.520 120.723 120.200 0.006 0.000 2.072 102 E HA 0.009 4.358 4.350 -0.001 0.000 0.190 102 E C 2.582 179.186 176.600 0.005 0.000 0.982 102 E CA 1.011 57.414 56.400 0.005 0.000 0.803 102 E CB -0.915 28.788 29.700 0.005 0.000 0.755 102 E HN 0.555 nan 8.360 nan 0.000 0.453 103 G N 1.492 110.296 108.800 0.007 0.000 2.440 103 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.218 103 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.218 103 G C 1.725 176.629 174.900 0.007 0.000 1.154 103 G CA 0.641 45.746 45.100 0.007 0.000 0.767 103 G HN 0.187 nan 8.290 nan 0.000 0.552 104 L N -0.323 120.904 121.223 0.007 0.000 2.141 104 L HA -0.003 4.337 4.340 -0.001 0.000 0.209 104 L C 2.947 179.820 176.870 0.005 0.000 1.094 104 L CA 0.961 55.805 54.840 0.007 0.000 0.763 104 L CB -0.277 41.786 42.059 0.007 0.000 0.908 104 L HN 0.191 nan 8.230 nan 0.000 0.437 105 K N 0.210 120.613 120.400 0.004 0.000 2.026 105 K HA -0.163 4.157 4.320 -0.001 0.000 0.208 105 K C 2.265 178.867 176.600 0.003 0.000 1.048 105 K CA 1.437 57.726 56.287 0.003 0.000 0.929 105 K CB -0.250 32.251 32.500 0.003 0.000 0.713 105 K HN 0.266 nan 8.250 nan 0.000 0.439 106 A N 0.969 123.792 122.820 0.004 0.000 1.908 106 A HA -0.154 4.166 4.320 -0.001 0.000 0.218 106 A C 2.340 179.926 177.584 0.004 0.000 1.181 106 A CA 1.636 53.675 52.037 0.003 0.000 0.627 106 A CB -0.723 18.280 19.000 0.004 0.000 0.818 106 A HN 0.098 nan 8.150 nan 0.000 0.445 107 V N -0.276 119.641 119.914 0.005 0.000 2.295 107 V HA -0.243 3.876 4.120 -0.001 0.000 0.246 107 V C 3.020 179.117 176.094 0.004 0.000 1.049 107 V CA 1.959 64.262 62.300 0.006 0.000 1.024 107 V CB -1.216 30.612 31.823 0.008 0.000 0.648 107 V HN 0.617 nan 8.190 nan 0.000 0.447 108 A N -0.131 122.691 122.820 0.003 0.000 2.015 108 A HA 0.020 4.339 4.320 -0.001 0.000 0.219 108 A C 2.212 179.796 177.584 0.001 0.000 1.163 108 A CA 1.581 53.619 52.037 0.002 0.000 0.646 108 A CB -0.533 18.467 19.000 0.001 0.000 0.806 108 A HN 0.588 nan 8.150 nan 0.000 0.448 109 A N -1.720 121.100 122.820 0.001 0.000 2.235 109 A HA 0.401 4.721 4.320 -0.001 0.000 0.208 109 A C 1.723 179.307 177.584 0.000 0.000 1.172 109 A CA 1.197 53.234 52.037 0.001 0.000 0.786 109 A CB -0.891 18.109 19.000 0.001 0.000 0.804 109 A HN 1.829 nan 8.150 nan 0.000 0.479 110 G N -1.802 106.999 108.800 0.001 0.000 2.141 110 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.231 110 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.231 110 G C 0.153 175.053 174.900 0.001 0.000 0.984 110 G CA 0.244 45.344 45.100 0.001 0.000 0.660 110 G HN 0.382 nan 8.290 nan 0.000 0.525 111 M N 0.489 120.090 119.600 0.002 0.000 2.255 111 M HA 0.250 4.730 4.480 -0.001 0.000 0.336 111 M C 0.711 177.014 176.300 0.004 0.000 1.135 111 M CA -0.597 54.704 55.300 0.003 0.000 1.145 111 M CB 0.448 33.049 32.600 0.003 0.000 1.473 111 M HN 0.125 nan 8.290 nan 0.000 0.462 112 N N 2.645 121.347 118.700 0.004 0.000 2.438 112 N HA 0.070 4.810 4.740 -0.001 0.000 0.267 112 N C -2.069 173.444 175.510 0.006 0.000 1.222 112 N CA -1.207 51.846 53.050 0.005 0.000 0.930 112 N CB 0.977 39.466 38.487 0.004 0.000 1.083 112 N HN 0.292 nan 8.380 nan 0.000 0.476 113 P HA -0.156 nan 4.420 nan 0.000 0.215 113 P C 1.684 178.989 177.300 0.009 0.000 1.157 113 P CA 1.460 64.566 63.100 0.010 0.000 0.874 113 P CB 0.201 31.909 31.700 0.013 0.000 0.790 114 M N -0.805 118.800 119.600 0.008 0.000 2.108 114 M HA -0.147 4.332 4.480 -0.001 0.000 0.261 114 M C 1.582 177.885 176.300 0.005 0.000 1.066 114 M CA 1.711 57.016 55.300 0.007 0.000 1.107 114 M CB -1.842 30.762 32.600 0.007 0.000 1.356 114 M HN -0.003 nan 8.290 nan 0.000 0.406 115 D N 0.446 120.849 120.400 0.004 0.000 2.144 115 D HA -0.044 4.596 4.640 -0.001 0.000 0.200 115 D C 2.345 178.647 176.300 0.003 0.000 0.978 115 D CA 0.904 54.906 54.000 0.003 0.000 0.833 115 D CB -0.117 40.685 40.800 0.003 0.000 0.961 115 D HN 0.329 nan 8.370 nan 0.000 0.470 116 L N 0.757 121.983 121.223 0.004 0.000 2.042 116 L HA -0.200 4.139 4.340 -0.001 0.000 0.210 116 L C 2.545 179.417 176.870 0.004 0.000 1.076 116 L CA 1.219 56.061 54.840 0.004 0.000 0.749 116 L CB -0.322 41.740 42.059 0.005 0.000 0.893 116 L HN -0.010 nan 8.230 nan 0.000 0.432 117 K N 0.261 120.664 120.400 0.005 0.000 2.057 117 K HA -0.221 4.099 4.320 -0.001 0.000 0.207 117 K C 2.326 178.927 176.600 0.002 0.000 1.049 117 K CA 1.281 57.571 56.287 0.004 0.000 0.931 117 K CB -0.038 32.465 32.500 0.006 0.000 0.714 117 K HN 0.062 nan 8.250 nan 0.000 0.440 118 R N -0.291 120.209 120.500 0.001 0.000 2.091 118 R HA -0.113 4.227 4.340 -0.001 0.000 0.238 118 R C 2.313 178.612 176.300 -0.001 0.000 1.136 118 R CA 1.750 57.849 56.100 -0.000 0.000 0.959 118 R CB -0.555 29.745 30.300 0.000 0.000 0.856 118 R HN 0.435 nan 8.270 nan 0.000 0.437 119 G N 0.737 109.537 108.800 0.000 0.000 2.421 119 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.216 119 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.216 119 G C 1.438 176.338 174.900 -0.000 0.000 1.171 119 G CA 0.841 45.941 45.100 0.000 0.000 0.775 119 G HN 0.246 nan 8.290 nan 0.000 0.543 120 I N 1.091 121.661 120.570 0.000 0.000 2.163 120 I HA -0.172 3.997 4.170 -0.001 0.000 0.243 120 I C 2.355 178.470 176.117 -0.004 0.000 1.085 120 I CA 1.385 62.685 61.300 -0.000 0.000 1.347 120 I CB -0.224 37.777 38.000 0.002 0.000 1.044 120 I HN 0.073 nan 8.210 nan 0.000 0.408 121 D N 0.787 121.184 120.400 -0.005 0.000 2.097 121 D HA -0.219 4.420 4.640 -0.001 0.000 0.195 121 D C 2.058 178.352 176.300 -0.010 0.000 0.989 121 D CA 1.256 55.250 54.000 -0.010 0.000 0.827 121 D CB -0.274 40.520 40.800 -0.010 0.000 0.966 121 D HN 0.295 nan 8.370 nan 0.000 0.456 122 K N 0.751 121.147 120.400 -0.006 0.000 2.032 122 K HA -0.118 4.201 4.320 -0.001 0.000 0.209 122 K C 2.045 178.642 176.600 -0.005 0.000 1.048 122 K CA 1.374 57.657 56.287 -0.006 0.000 0.927 122 K CB -0.070 32.428 32.500 -0.003 0.000 0.712 122 K HN 0.025 nan 8.250 nan 0.000 0.441 123 A N 0.549 123.367 122.820 -0.003 0.000 1.933 123 A HA -0.115 4.205 4.320 -0.001 0.000 0.218 123 A C 2.219 179.801 177.584 -0.004 0.000 1.175 123 A CA 1.700 53.736 52.037 -0.002 0.000 0.628 123 A CB -0.587 18.413 19.000 0.000 0.000 0.814 123 A HN 0.191 nan 8.150 nan 0.000 0.444 124 V N -0.443 119.467 119.914 -0.008 0.000 2.358 124 V HA -0.208 3.912 4.120 -0.001 0.000 0.246 124 V C 2.731 178.816 176.094 -0.015 0.000 1.047 124 V CA 2.412 64.705 62.300 -0.012 0.000 1.035 124 V CB -1.279 30.532 31.823 -0.019 0.000 0.658 124 V HN 0.598 nan 8.190 nan 0.000 0.452 125 T N 0.573 115.117 114.554 -0.016 0.000 2.684 125 T HA -0.197 4.153 4.350 -0.001 0.000 0.267 125 T C 2.100 176.795 174.700 -0.010 0.000 1.036 125 T CA 1.754 63.845 62.100 -0.015 0.000 1.148 125 T CB -0.497 68.363 68.868 -0.014 0.000 0.863 125 T HN 0.569 nan 8.240 nan 0.000 0.436 126 A N 1.629 124.446 122.820 -0.006 0.000 1.883 126 A HA 0.039 4.359 4.320 -0.001 0.000 0.217 126 A C 2.682 180.265 177.584 -0.001 0.000 1.186 126 A CA 2.123 54.158 52.037 -0.002 0.000 0.624 126 A CB -1.277 17.723 19.000 -0.000 0.000 0.822 126 A HN 0.527 nan 8.150 nan 0.000 0.444 127 A N -0.753 122.066 122.820 -0.001 0.000 1.908 127 A HA -0.038 4.282 4.320 -0.001 0.000 0.218 127 A C 2.225 179.809 177.584 0.000 0.000 1.181 127 A CA 1.896 53.933 52.037 0.001 0.000 0.627 127 A CB -0.956 18.045 19.000 0.001 0.000 0.818 127 A HN 0.447 nan 8.150 nan 0.000 0.445 128 V N 0.101 120.011 119.914 -0.006 0.000 2.427 128 V HA -0.187 3.933 4.120 -0.001 0.000 0.248 128 V C 2.565 178.658 176.094 -0.003 0.000 1.051 128 V CA 2.039 64.335 62.300 -0.007 0.000 1.048 128 V CB -0.629 31.184 31.823 -0.017 0.000 0.666 128 V HN 0.500 nan 8.190 nan 0.000 0.456 129 E N -0.079 120.120 120.200 -0.002 0.000 2.047 129 E HA -0.207 4.143 4.350 -0.001 0.000 0.191 129 E C 2.235 178.838 176.600 0.004 0.000 0.987 129 E CA 1.054 57.455 56.400 0.001 0.000 0.799 129 E CB -0.216 29.484 29.700 0.000 0.000 0.752 129 E HN 0.550 nan 8.360 nan 0.000 0.449 130 E N 0.549 120.753 120.200 0.006 0.000 2.209 130 E HA -0.137 4.213 4.350 -0.001 0.000 0.196 130 E C 1.868 178.475 176.600 0.011 0.000 0.993 130 E CA 0.318 56.724 56.400 0.009 0.000 0.819 130 E CB -0.180 29.527 29.700 0.010 0.000 0.745 130 E HN 0.049 nan 8.360 nan 0.000 0.477 131 L N 0.501 121.730 121.223 0.009 0.000 2.072 131 L HA -0.061 4.278 4.340 -0.001 0.000 0.205 131 L C 1.839 178.715 176.870 0.011 0.000 1.079 131 L CA 1.710 56.557 54.840 0.011 0.000 0.752 131 L CB -0.270 41.794 42.059 0.008 0.000 0.906 131 L HN -0.008 nan 8.230 nan 0.000 0.436 132 K N -1.018 119.387 120.400 0.009 0.000 2.057 132 K HA -0.121 4.199 4.320 -0.001 0.000 0.207 132 K C 2.084 178.691 176.600 0.011 0.000 1.049 132 K CA 1.272 57.565 56.287 0.009 0.000 0.931 132 K CB -0.318 32.186 32.500 0.007 0.000 0.714 132 K HN 0.383 nan 8.250 nan 0.000 0.440 133 A N 1.485 124.311 122.820 0.011 0.000 1.877 133 A HA -0.156 4.164 4.320 -0.001 0.000 0.216 133 A C 2.088 179.680 177.584 0.015 0.000 1.186 133 A CA 1.193 53.237 52.037 0.012 0.000 0.620 133 A CB -0.678 18.329 19.000 0.012 0.000 0.822 133 A HN 0.231 nan 8.150 nan 0.000 0.443 134 L N -0.047 121.186 121.223 0.017 0.000 2.191 134 L HA -0.073 4.266 4.340 -0.001 0.000 0.212 134 L C 1.395 178.277 176.870 0.020 0.000 1.103 134 L CA 0.646 55.498 54.840 0.021 0.000 0.769 134 L CB -0.299 41.774 42.059 0.023 0.000 0.908 134 L HN 0.421 nan 8.230 nan 0.000 0.438 135 S N -0.413 115.298 115.700 0.017 0.000 2.552 135 S HA 0.068 4.538 4.470 -0.001 0.000 0.289 135 S C -0.191 174.418 174.600 0.015 0.000 1.304 135 S CA -0.451 57.758 58.200 0.016 0.000 1.063 135 S CB 0.551 63.759 63.200 0.014 0.000 0.848 135 S HN 0.039 nan 8.310 nan 0.000 0.499 136 V N 8.638 128.562 119.914 0.016 0.000 2.394 136 V HA 0.378 4.498 4.120 -0.001 0.000 0.282 136 V C -2.012 174.090 176.094 0.013 0.000 1.031 136 V CA -1.845 60.464 62.300 0.015 0.000 0.881 136 V CB 1.262 33.094 31.823 0.015 0.000 0.982 136 V HN 0.760 nan 8.190 nan 0.000 0.451 137 P HA 0.141 nan 4.420 nan 0.000 0.270 137 P C -0.534 176.772 177.300 0.010 0.000 1.223 137 P CA -0.192 62.915 63.100 0.011 0.000 0.785 137 P CB 0.448 32.154 31.700 0.010 0.000 0.923 138 C N 1.986 121.292 119.300 0.010 0.000 3.498 138 C HA 0.384 4.843 4.460 -0.001 0.000 0.218 138 C C 1.133 176.128 174.990 0.008 0.000 1.284 138 C CA 0.070 59.093 59.018 0.009 0.000 1.343 138 C CB -1.461 26.285 27.740 0.010 0.000 1.825 138 C HN 0.517 nan 8.230 nan 0.000 0.518 139 S N 1.162 116.866 115.700 0.007 0.000 2.497 139 S HA 0.101 4.571 4.470 -0.001 0.000 0.221 139 S C 0.340 174.943 174.600 0.005 0.000 1.037 139 S CA 0.232 58.436 58.200 0.007 0.000 0.920 139 S CB 0.077 63.281 63.200 0.007 0.000 0.800 139 S HN 0.956 nan 8.310 nan 0.000 0.505 140 D N 0.809 121.212 120.400 0.005 0.000 2.332 140 D HA 0.306 4.946 4.640 -0.001 0.000 0.252 140 D C 1.056 177.358 176.300 0.002 0.000 1.050 140 D CA -0.247 53.755 54.000 0.003 0.000 0.970 140 D CB 0.778 41.580 40.800 0.003 0.000 1.141 140 D HN 0.027 nan 8.370 nan 0.000 0.485 141 S N 0.418 116.119 115.700 0.001 0.000 2.419 141 S HA -0.276 4.194 4.470 -0.001 0.000 0.233 141 S C 1.609 176.209 174.600 0.000 0.000 1.016 141 S CA 1.146 59.346 58.200 0.000 0.000 0.974 141 S CB -0.480 62.719 63.200 -0.001 0.000 0.786 141 S HN 0.620 nan 8.310 nan 0.000 0.492 142 K N 1.749 122.150 120.400 0.001 0.000 2.026 142 K HA -0.044 4.276 4.320 -0.001 0.000 0.208 142 K C 2.340 178.941 176.600 0.002 0.000 1.048 142 K CA 1.266 57.553 56.287 0.001 0.000 0.929 142 K CB -0.663 31.838 32.500 0.002 0.000 0.713 142 K HN 0.436 nan 8.250 nan 0.000 0.439 143 A N 1.453 124.275 122.820 0.003 0.000 1.873 143 A HA -0.108 4.212 4.320 -0.001 0.000 0.215 143 A C 2.114 179.700 177.584 0.003 0.000 1.186 143 A CA 1.463 53.502 52.037 0.004 0.000 0.616 143 A CB -0.630 18.373 19.000 0.005 0.000 0.823 143 A HN 0.363 nan 8.150 nan 0.000 0.442 144 I N -0.048 120.523 120.570 0.002 0.000 2.185 144 I HA -0.369 3.801 4.170 -0.001 0.000 0.246 144 I C 2.935 179.052 176.117 -0.000 0.000 1.088 144 I CA 1.301 62.602 61.300 0.001 0.000 1.347 144 I CB -0.353 37.647 38.000 -0.000 0.000 1.041 144 I HN 0.391 nan 8.210 nan 0.000 0.415 145 A N 0.014 122.833 122.820 -0.001 0.000 1.898 145 A HA -0.227 4.093 4.320 -0.001 0.000 0.216 145 A C 2.255 179.838 177.584 -0.002 0.000 1.181 145 A CA 1.377 53.413 52.037 -0.002 0.000 0.620 145 A CB -0.570 18.429 19.000 -0.002 0.000 0.819 145 A HN 0.451 nan 8.150 nan 0.000 0.442 146 Q N -0.383 119.417 119.800 -0.000 0.000 2.030 146 Q HA -0.152 4.187 4.340 -0.001 0.000 0.204 146 Q C 2.183 178.184 176.000 0.000 0.000 0.986 146 Q CA 1.909 57.712 55.803 0.000 0.000 0.843 146 Q CB -0.461 28.278 28.738 0.001 0.000 0.904 146 Q HN 0.483 nan 8.270 nan 0.000 0.420 147 V N 0.540 120.455 119.914 0.002 0.000 2.287 147 V HA -0.249 3.871 4.120 -0.001 0.000 0.248 147 V C 2.261 178.356 176.094 0.003 0.000 1.053 147 V CA 2.049 64.351 62.300 0.004 0.000 1.027 147 V CB -1.320 30.507 31.823 0.006 0.000 0.646 147 V HN 0.579 nan 8.190 nan 0.000 0.447 148 G N -0.481 108.319 108.800 0.001 0.000 2.442 148 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.219 148 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.219 148 G C 1.672 176.571 174.900 -0.002 0.000 1.141 148 G CA 1.586 46.685 45.100 -0.002 0.000 0.763 148 G HN 0.494 nan 8.290 nan 0.000 0.554 149 T N 1.426 115.979 114.554 -0.003 0.000 2.746 149 T HA -0.044 4.306 4.350 -0.001 0.000 0.267 149 T C 2.383 177.081 174.700 -0.003 0.000 1.039 149 T CA 1.018 63.116 62.100 -0.004 0.000 1.142 149 T CB -0.155 68.710 68.868 -0.004 0.000 0.866 149 T HN 0.278 nan 8.240 nan 0.000 0.444 150 I N 1.391 121.960 120.570 -0.003 0.000 2.286 150 I HA -0.154 4.016 4.170 -0.001 0.000 0.248 150 I C 2.573 178.689 176.117 -0.002 0.000 1.115 150 I CA 0.936 62.234 61.300 -0.004 0.000 1.392 150 I CB -0.399 37.599 38.000 -0.003 0.000 1.065 150 I HN 0.196 nan 8.210 nan 0.000 0.418 151 S N 0.957 116.658 115.700 0.002 0.000 2.387 151 S HA -0.016 4.453 4.470 -0.001 0.000 0.226 151 S C 1.962 176.565 174.600 0.005 0.000 1.026 151 S CA 1.057 59.261 58.200 0.006 0.000 0.972 151 S CB -0.218 62.989 63.200 0.012 0.000 0.814 151 S HN 0.515 nan 8.310 nan 0.000 0.477 152 A N 1.269 124.089 122.820 0.001 0.000 2.276 152 A HA 0.285 4.605 4.320 -0.001 0.000 0.212 152 A C 0.750 178.333 177.584 -0.002 0.000 1.230 152 A CA 0.162 52.199 52.037 -0.000 0.000 0.844 152 A CB -0.785 18.213 19.000 -0.003 0.000 0.860 152 A HN 0.485 nan 8.150 nan 0.000 0.486 153 N N -1.039 117.659 118.700 -0.003 0.000 2.780 153 N HA -0.210 4.530 4.740 -0.001 0.000 0.247 153 N C 0.121 175.627 175.510 -0.007 0.000 1.076 153 N CA 1.059 54.106 53.050 -0.005 0.000 0.688 153 N CB -1.916 36.568 38.487 -0.005 0.000 0.957 153 N HN 0.488 nan 8.380 nan 0.000 0.551 154 S N -1.537 114.159 115.700 -0.007 0.000 3.593 154 S HA -0.210 4.260 4.470 -0.001 0.000 0.301 154 S C -0.481 174.116 174.600 -0.006 0.000 1.209 154 S CA 0.715 58.911 58.200 -0.007 0.000 0.878 154 S CB -1.085 62.109 63.200 -0.009 0.000 1.000 154 S HN 0.724 nan 8.310 nan 0.000 0.578 155 D N 1.315 121.712 120.400 -0.005 0.000 2.456 155 D HA 0.285 4.925 4.640 -0.001 0.000 0.219 155 D C 1.097 177.394 176.300 -0.005 0.000 1.126 155 D CA -0.360 53.637 54.000 -0.005 0.000 0.890 155 D CB 0.482 41.279 40.800 -0.005 0.000 1.025 155 D HN 0.444 nan 8.370 nan 0.000 0.511 156 E N 1.062 121.259 120.200 -0.005 0.000 2.219 156 E HA -0.166 4.183 4.350 -0.001 0.000 0.198 156 E C 1.355 177.952 176.600 -0.005 0.000 0.998 156 E CA 1.138 57.535 56.400 -0.005 0.000 0.818 156 E CB 0.311 30.009 29.700 -0.004 0.000 0.741 156 E HN 0.476 nan 8.360 nan 0.000 0.477 157 T N 0.722 115.272 114.554 -0.006 0.000 2.622 157 T HA -0.164 4.186 4.350 -0.001 0.000 0.266 157 T C 2.114 176.809 174.700 -0.008 0.000 1.047 157 T CA 1.480 63.576 62.100 -0.006 0.000 1.159 157 T CB -0.317 68.547 68.868 -0.006 0.000 0.863 157 T HN 0.006 nan 8.240 nan 0.000 0.422 158 V N 1.515 121.424 119.914 -0.008 0.000 2.287 158 V HA -0.158 3.961 4.120 -0.001 0.000 0.248 158 V C 2.891 178.979 176.094 -0.011 0.000 1.053 158 V CA 2.048 64.342 62.300 -0.010 0.000 1.027 158 V CB -1.552 30.265 31.823 -0.010 0.000 0.646 158 V HN 0.625 nan 8.190 nan 0.000 0.447 159 G N -0.377 108.418 108.800 -0.008 0.000 2.476 159 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.218 159 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.218 159 G C 1.644 176.540 174.900 -0.008 0.000 1.164 159 G CA 1.294 46.390 45.100 -0.007 0.000 0.768 159 G HN 0.513 nan 8.290 nan 0.000 0.560 160 K N -0.027 120.368 120.400 -0.007 0.000 2.009 160 K HA 0.003 4.323 4.320 -0.001 0.000 0.210 160 K C 2.590 179.184 176.600 -0.009 0.000 1.049 160 K CA 1.044 57.327 56.287 -0.007 0.000 0.929 160 K CB -0.336 32.161 32.500 -0.006 0.000 0.714 160 K HN 0.339 nan 8.250 nan 0.000 0.440 161 L N 1.008 122.225 121.223 -0.011 0.000 1.990 161 L HA -0.259 4.081 4.340 -0.001 0.000 0.213 161 L C 2.520 179.381 176.870 -0.016 0.000 1.072 161 L CA 1.547 56.379 54.840 -0.013 0.000 0.755 161 L CB -0.409 41.642 42.059 -0.015 0.000 0.889 161 L HN 0.298 nan 8.230 nan 0.000 0.432 162 I N -0.515 120.044 120.570 -0.018 0.000 2.208 162 I HA -0.323 3.847 4.170 -0.001 0.000 0.245 162 I C 2.741 178.849 176.117 -0.015 0.000 1.097 162 I CA 1.244 62.532 61.300 -0.021 0.000 1.363 162 I CB -0.489 37.498 38.000 -0.022 0.000 1.051 162 I HN 0.260 nan 8.210 nan 0.000 0.413 163 A N 0.499 123.313 122.820 -0.011 0.000 1.930 163 A HA -0.204 4.116 4.320 -0.001 0.000 0.217 163 A C 2.192 179.771 177.584 -0.008 0.000 1.175 163 A CA 1.568 53.601 52.037 -0.008 0.000 0.627 163 A CB -0.506 18.491 19.000 -0.006 0.000 0.815 163 A HN 0.466 nan 8.150 nan 0.000 0.443 164 E N -0.100 120.095 120.200 -0.009 0.000 2.072 164 E HA -0.080 4.270 4.350 -0.001 0.000 0.191 164 E C 2.342 178.937 176.600 -0.009 0.000 0.985 164 E CA 0.871 57.266 56.400 -0.008 0.000 0.801 164 E CB -0.312 29.383 29.700 -0.008 0.000 0.750 164 E HN 0.605 nan 8.360 nan 0.000 0.452 165 A N 1.528 124.341 122.820 -0.012 0.000 1.877 165 A HA -0.189 4.130 4.320 -0.001 0.000 0.216 165 A C 2.209 179.786 177.584 -0.012 0.000 1.186 165 A CA 1.476 53.505 52.037 -0.014 0.000 0.620 165 A CB -0.489 18.500 19.000 -0.019 0.000 0.822 165 A HN 0.133 nan 8.150 nan 0.000 0.443 166 M N -1.029 118.565 119.600 -0.011 0.000 2.296 166 M HA -0.133 4.347 4.480 -0.001 0.000 0.265 166 M C 1.770 178.067 176.300 -0.005 0.000 1.064 166 M CA 1.766 57.061 55.300 -0.008 0.000 1.109 166 M CB -0.519 32.077 32.600 -0.007 0.000 1.396 166 M HN 0.484 nan 8.290 nan 0.000 0.430 167 D N 0.639 121.036 120.400 -0.005 0.000 2.178 167 D HA -0.121 4.518 4.640 -0.001 0.000 0.202 167 D C 1.987 178.285 176.300 -0.004 0.000 0.974 167 D CA 1.104 55.102 54.000 -0.004 0.000 0.841 167 D CB 0.276 41.074 40.800 -0.004 0.000 0.953 167 D HN 0.033 nan 8.370 nan 0.000 0.478 168 K N -0.167 120.230 120.400 -0.005 0.000 2.031 168 K HA -0.012 4.307 4.320 -0.001 0.000 0.205 168 K C 1.883 178.481 176.600 -0.004 0.000 1.049 168 K CA 1.236 57.520 56.287 -0.005 0.000 0.939 168 K CB -0.279 32.218 32.500 -0.006 0.000 0.717 168 K HN 0.299 nan 8.250 nan 0.000 0.438 169 V N -2.984 116.927 119.914 -0.004 0.000 3.427 169 V HA 0.429 4.549 4.120 -0.001 0.000 0.305 169 V C 0.466 176.560 176.094 -0.001 0.000 1.412 169 V CA 0.081 62.380 62.300 -0.003 0.000 1.086 169 V CB -0.258 31.563 31.823 -0.003 0.000 0.964 169 V HN 0.351 nan 8.190 nan 0.000 0.439 170 G N 2.078 110.877 108.800 -0.002 0.000 2.712 170 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.686 170 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.686 170 G C 0.053 174.953 174.900 -0.000 0.000 1.321 170 G CA -0.142 44.958 45.100 0.000 0.000 0.813 170 G HN 0.632 nan 8.290 nan 0.000 0.599 171 K N -0.137 120.264 120.400 0.001 0.000 2.525 171 K HA 0.109 4.428 4.320 -0.001 0.000 0.192 171 K C 0.564 177.167 176.600 0.005 0.000 1.029 171 K CA 1.107 57.395 56.287 0.002 0.000 1.029 171 K CB 0.518 33.020 32.500 0.004 0.000 0.814 171 K HN 0.433 nan 8.250 nan 0.000 0.503 172 E N 1.218 121.422 120.200 0.006 0.000 2.603 172 E HA 0.121 4.470 4.350 -0.001 0.000 0.211 172 E C 0.375 176.980 176.600 0.008 0.000 0.995 172 E CA -0.084 56.322 56.400 0.009 0.000 0.990 172 E CB 1.200 30.906 29.700 0.011 0.000 1.036 172 E HN 0.366 nan 8.360 nan 0.000 0.475 173 G N 0.576 109.379 108.800 0.004 0.000 2.477 173 G HA2 0.366 4.325 3.960 -0.001 0.000 0.304 173 G HA3 0.366 4.325 3.960 -0.001 0.000 0.304 173 G C 0.074 174.974 174.900 0.001 0.000 1.175 173 G CA -0.452 44.650 45.100 0.004 0.000 0.907 173 G HN -0.056 nan 8.290 nan 0.000 0.509 174 V N 1.045 120.960 119.914 0.003 0.000 2.572 174 V HA 0.266 4.386 4.120 -0.001 0.000 0.291 174 V C 0.249 176.336 176.094 -0.011 0.000 1.039 174 V CA 0.405 62.704 62.300 -0.002 0.000 1.055 174 V CB 0.321 32.148 31.823 0.006 0.000 0.969 174 V HN 0.423 nan 8.190 nan 0.000 0.482 175 I N 4.196 124.752 120.570 -0.023 0.000 2.534 175 I HA 0.476 4.645 4.170 -0.001 0.000 0.288 175 I C -0.171 175.919 176.117 -0.044 0.000 1.077 175 I CA -0.201 61.079 61.300 -0.033 0.000 1.051 175 I CB 2.420 40.395 38.000 -0.042 0.000 1.234 175 I HN 0.537 nan 8.210 nan 0.000 0.425 176 T N 4.734 119.266 114.554 -0.037 0.000 2.924 176 T HA 0.645 4.995 4.350 -0.001 0.000 0.291 176 T C -0.585 174.093 174.700 -0.037 0.000 1.045 176 T CA -0.666 61.412 62.100 -0.038 0.000 1.015 176 T CB 2.579 71.432 68.868 -0.024 0.000 1.103 176 T HN 0.449 nan 8.240 nan 0.000 0.496 177 V N -0.465 119.427 119.914 -0.036 0.000 2.680 177 V HA 0.875 4.995 4.120 -0.001 0.000 0.309 177 V C -1.027 175.056 176.094 -0.019 0.000 1.052 177 V CA -0.761 61.521 62.300 -0.030 0.000 0.908 177 V CB 1.791 33.592 31.823 -0.037 0.000 1.001 177 V HN 0.957 nan 8.190 nan 0.000 0.431 178 E N 1.758 121.949 120.200 -0.015 0.000 2.429 178 E HA 0.411 4.761 4.350 -0.001 0.000 0.276 178 E C -1.652 174.942 176.600 -0.009 0.000 0.953 178 E CA -1.035 55.358 56.400 -0.011 0.000 0.787 178 E CB 1.818 31.511 29.700 -0.011 0.000 1.307 178 E HN 0.788 nan 8.360 nan 0.000 0.458 179 D N 1.060 121.455 120.400 -0.007 0.000 2.443 179 D HA 0.152 4.792 4.640 -0.001 0.000 0.239 179 D C 0.251 176.547 176.300 -0.007 0.000 1.136 179 D CA 0.388 54.384 54.000 -0.006 0.000 0.879 179 D CB 0.927 41.724 40.800 -0.004 0.000 1.195 179 D HN 0.502 nan 8.370 nan 0.000 0.443 180 G N -0.327 108.469 108.800 -0.007 0.000 2.580 180 G HA2 0.260 4.219 3.960 -0.001 0.000 0.278 180 G HA3 0.260 4.219 3.960 -0.001 0.000 0.278 180 G C 1.035 175.931 174.900 -0.007 0.000 1.212 180 G CA -0.228 44.867 45.100 -0.007 0.000 0.939 180 G HN 0.447 nan 8.290 nan 0.000 0.513 181 T N -3.253 111.297 114.554 -0.007 0.000 3.113 181 T HA 0.421 4.771 4.350 -0.001 0.000 0.256 181 T C 1.036 175.733 174.700 -0.005 0.000 1.131 181 T CA 0.714 62.810 62.100 -0.006 0.000 1.074 181 T CB -0.115 68.749 68.868 -0.007 0.000 0.944 181 T HN 2.099 nan 8.240 nan 0.000 0.516 182 G N 1.584 110.381 108.800 -0.005 0.000 3.305 182 G HA2 0.311 4.270 3.960 -0.001 0.000 0.649 182 G HA3 0.311 4.270 3.960 -0.001 0.000 0.649 182 G C -0.744 174.153 174.900 -0.004 0.000 1.255 182 G CA -0.701 44.396 45.100 -0.005 0.000 1.137 182 G HN 0.752 nan 8.290 nan 0.000 0.535 183 L N 1.054 122.274 121.223 -0.004 0.000 1.712 183 L HA -0.173 4.167 4.340 -0.001 0.000 0.402 183 L C 0.285 177.152 176.870 -0.005 0.000 1.004 183 L CA 2.348 57.185 54.840 -0.004 0.000 1.208 183 L CB -0.586 41.471 42.059 -0.004 0.000 0.528 183 L HN 1.944 nan 8.230 nan 0.000 0.369 184 Q N 2.325 122.122 119.800 -0.005 0.000 3.120 184 Q HA -0.072 4.268 4.340 -0.001 0.000 0.070 184 Q C -0.562 175.435 176.000 -0.006 0.000 1.644 184 Q CA 0.836 56.636 55.803 -0.005 0.000 0.291 184 Q CB -0.117 28.618 28.738 -0.005 0.000 0.583 184 Q HN 0.693 nan 8.270 nan 0.000 0.322 185 D N 2.470 122.866 120.400 -0.007 0.000 2.371 185 D HA 0.306 4.946 4.640 -0.001 0.000 0.242 185 D C -0.021 176.275 176.300 -0.008 0.000 1.218 185 D CA 0.185 54.180 54.000 -0.008 0.000 0.945 185 D CB 0.696 41.491 40.800 -0.009 0.000 1.137 185 D HN 0.365 nan 8.370 nan 0.000 0.464 186 E N -0.272 119.923 120.200 -0.009 0.000 2.304 186 E HA 0.397 4.747 4.350 -0.001 0.000 0.277 186 E C -1.309 175.285 176.600 -0.010 0.000 0.898 186 E CA -0.753 55.642 56.400 -0.009 0.000 0.764 186 E CB 2.306 32.002 29.700 -0.008 0.000 1.216 186 E HN 0.071 nan 8.360 nan 0.000 0.419 187 L N 3.221 124.439 121.223 -0.009 0.000 2.343 187 L HA 0.534 4.874 4.340 -0.001 0.000 0.278 187 L C -1.654 175.211 176.870 -0.009 0.000 0.996 187 L CA -0.160 54.674 54.840 -0.010 0.000 0.831 187 L CB 1.101 43.154 42.059 -0.010 0.000 1.232 187 L HN 0.422 nan 8.230 nan 0.000 0.413 188 D N 4.336 124.730 120.400 -0.009 0.000 2.738 188 D HA 0.474 5.114 4.640 -0.001 0.000 0.237 188 D C -1.066 175.230 176.300 -0.007 0.000 1.123 188 D CA -0.256 53.739 54.000 -0.008 0.000 0.856 188 D CB 2.783 43.578 40.800 -0.008 0.000 1.552 188 D HN 0.257 nan 8.370 nan 0.000 0.480 189 V N 1.349 121.260 119.914 -0.006 0.000 2.417 189 V HA 0.506 4.625 4.120 -0.001 0.000 0.291 189 V C 0.478 176.570 176.094 -0.004 0.000 1.024 189 V CA -0.661 61.636 62.300 -0.005 0.000 0.861 189 V CB 1.403 33.223 31.823 -0.004 0.000 0.985 189 V HN 0.500 nan 8.190 nan 0.000 0.436 190 V N 1.384 121.296 119.914 -0.002 0.000 3.155 190 V HA 0.711 4.831 4.120 -0.001 0.000 0.313 190 V C -0.347 175.748 176.094 0.002 0.000 1.162 190 V CA -1.053 61.246 62.300 -0.001 0.000 1.048 190 V CB 2.163 33.985 31.823 -0.003 0.000 1.092 190 V HN 0.647 nan 8.190 nan 0.000 0.447 191 E N 1.351 121.553 120.200 0.003 0.000 2.299 191 E HA 0.603 4.953 4.350 -0.001 0.000 0.272 191 E C 0.219 176.826 176.600 0.011 0.000 1.043 191 E CA 0.894 57.298 56.400 0.006 0.000 0.895 191 E CB 0.790 30.493 29.700 0.005 0.000 1.011 191 E HN 1.186 nan 8.360 nan 0.000 0.432 192 G N 1.398 110.208 108.800 0.017 0.000 2.548 192 G HA2 0.626 4.586 3.960 -0.001 0.000 0.301 192 G HA3 0.626 4.586 3.960 -0.001 0.000 0.301 192 G C -1.185 173.739 174.900 0.040 0.000 1.349 192 G CA -0.592 44.525 45.100 0.028 0.000 0.792 192 G HN 0.408 nan 8.290 nan 0.000 0.481 193 M N -0.547 119.091 119.600 0.063 0.000 2.833 193 M HA 0.611 5.091 4.480 -0.001 0.000 0.270 193 M C -2.355 174.021 176.300 0.127 0.000 1.209 193 M CA -0.680 54.675 55.300 0.092 0.000 0.826 193 M CB 2.438 35.101 32.600 0.105 0.000 1.657 193 M HN 0.758 nan 8.290 nan 0.000 0.492 194 Q N 2.624 122.516 119.800 0.154 0.000 2.268 194 Q HA 0.604 4.944 4.340 -0.001 0.000 0.266 194 Q C -2.256 173.869 176.000 0.208 0.000 1.006 194 Q CA -0.662 55.209 55.803 0.114 0.000 0.824 194 Q CB 1.903 30.655 28.738 0.024 0.000 1.306 194 Q HN 0.564 nan 8.270 nan 0.000 0.424 195 F N -0.133 119.820 119.950 0.005 0.000 2.611 195 F HA 0.581 5.107 4.527 -0.001 0.000 0.324 195 F C -0.439 175.365 175.800 0.006 0.000 1.061 195 F CA -1.356 56.648 58.000 0.008 0.000 0.954 195 F CB 0.998 40.004 39.000 0.010 0.000 1.301 195 F HN 0.300 nan 8.300 nan 0.000 0.482 196 D N 2.664 123.153 120.400 0.147 0.000 2.619 196 D HA 0.213 4.852 4.640 -0.001 0.000 0.224 196 D C -0.353 175.973 176.300 0.043 0.000 1.133 196 D CA 0.239 54.261 54.000 0.037 0.000 1.017 196 D CB -0.063 40.775 40.800 0.062 0.000 1.077 196 D HN 0.289 nan 8.370 nan 0.000 0.503 197 R N 0.429 120.883 120.500 -0.078 0.000 2.510 197 R HA 0.442 4.782 4.340 -0.001 0.000 0.287 197 R C 0.246 176.446 176.300 -0.166 0.000 1.084 197 R CA -0.676 55.407 56.100 -0.028 0.000 0.934 197 R CB 1.925 32.337 30.300 0.186 0.000 1.201 197 R HN 0.229 nan 8.270 nan 0.000 0.431 198 G N 1.277 109.975 108.800 -0.169 0.000 2.537 198 G HA2 0.394 4.354 3.960 -0.001 0.000 0.297 198 G HA3 0.394 4.354 3.960 -0.001 0.000 0.297 198 G C -0.493 174.304 174.900 -0.172 0.000 1.310 198 G CA -0.497 44.420 45.100 -0.305 0.000 1.027 198 G HN 0.443 nan 8.290 nan 0.000 0.505 199 Y N -1.374 118.957 120.300 0.051 0.000 2.683 199 Y HA 0.239 4.789 4.550 -0.001 0.000 0.340 199 Y C 1.194 177.203 175.900 0.182 0.000 1.245 199 Y CA -1.022 57.164 58.100 0.144 0.000 1.485 199 Y CB 0.315 38.909 38.460 0.223 0.000 1.328 199 Y HN 0.181 nan 8.280 nan 0.000 0.603 200 L N 2.214 123.743 121.223 0.509 0.000 2.650 200 L HA 0.081 4.420 4.340 -0.001 0.000 0.235 200 L C 0.309 177.387 176.870 0.346 0.000 1.149 200 L CA 0.991 56.061 54.840 0.384 0.000 0.887 200 L CB -0.640 41.636 42.059 0.360 0.000 1.021 200 L HN 0.919 nan 8.230 nan 0.000 0.441 201 S N -3.260 112.681 115.700 0.403 0.000 2.744 201 S HA 0.240 4.710 4.470 -0.001 0.000 0.284 201 S C -2.910 171.540 174.600 -0.249 0.000 0.979 201 S CA -1.149 57.101 58.200 0.084 0.000 0.870 201 S CB 0.842 64.007 63.200 -0.057 0.000 1.094 201 S HN -0.256 nan 8.310 nan 0.000 0.458 202 P HA 0.430 nan 4.420 nan 0.000 0.335 202 P C 0.316 177.275 177.300 -0.568 0.000 1.379 202 P CA 0.630 63.254 63.100 -0.793 0.000 0.794 202 P CB -0.109 31.149 31.700 -0.737 0.000 1.849 203 Y N -4.810 115.293 120.300 -0.328 0.000 2.802 203 Y HA -0.302 4.248 4.550 -0.000 0.000 0.485 203 Y C 1.901 177.695 175.900 -0.177 0.000 1.190 203 Y CA 1.467 59.405 58.100 -0.270 0.000 2.757 203 Y CB -3.006 35.233 38.460 -0.369 0.000 0.919 203 Y HN 0.094 nan 8.280 nan 0.000 0.540 204 F N 0.427 120.370 119.950 -0.012 0.000 2.216 204 F HA -0.035 4.492 4.527 -0.001 0.000 0.300 204 F C 1.546 177.305 175.800 -0.069 0.000 1.085 204 F CA 0.606 58.590 58.000 -0.027 0.000 1.326 204 F CB -0.647 38.338 39.000 -0.025 0.000 1.027 204 F HN -0.012 nan 8.300 nan 0.000 0.497 205 I N 2.535 123.104 120.570 -0.002 0.000 2.845 205 I HA -0.217 3.953 4.170 -0.001 0.000 0.290 205 I C 0.551 176.675 176.117 0.012 0.000 1.202 205 I CA 0.586 61.858 61.300 -0.046 0.000 1.406 205 I CB -0.043 37.857 38.000 -0.166 0.000 1.383 205 I HN 0.230 nan 8.210 nan 0.000 0.549 206 N N 5.415 124.135 118.700 0.034 0.000 2.200 206 N HA 0.107 4.847 4.740 -0.001 0.000 0.224 206 N C -0.231 175.294 175.510 0.024 0.000 1.179 206 N CA -0.285 52.786 53.050 0.034 0.000 0.877 206 N CB 0.549 39.062 38.487 0.045 0.000 1.072 206 N HN 0.407 nan 8.380 nan 0.000 0.519 207 K N 1.057 121.468 120.400 0.020 0.000 3.098 207 K HA 0.205 4.525 4.320 -0.001 0.000 0.170 207 K C -2.204 174.404 176.600 0.013 0.000 1.106 207 K CA -1.266 55.032 56.287 0.018 0.000 0.864 207 K CB 2.198 34.713 32.500 0.025 0.000 1.047 207 K HN -0.024 nan 8.250 nan 0.000 0.609 208 P HA -0.217 nan 4.420 nan 0.000 0.217 208 P C 0.481 177.781 177.300 0.000 0.000 1.148 208 P CA 1.466 64.561 63.100 -0.007 0.000 0.828 208 P CB 0.490 32.183 31.700 -0.012 0.000 0.783 209 E N -0.134 120.070 120.200 0.007 0.000 2.085 209 E HA -0.117 4.232 4.350 -0.001 0.000 0.194 209 E C 1.688 178.296 176.600 0.013 0.000 0.994 209 E CA 1.909 58.314 56.400 0.008 0.000 0.801 209 E CB -1.254 28.452 29.700 0.011 0.000 0.743 209 E HN 0.322 nan 8.360 nan 0.000 0.453 210 T N -1.258 113.308 114.554 0.021 0.000 3.054 210 T HA 0.297 4.647 4.350 -0.001 0.000 0.255 210 T C 1.011 175.736 174.700 0.041 0.000 1.035 210 T CA 0.197 62.315 62.100 0.031 0.000 0.941 210 T CB 0.666 69.559 68.868 0.041 0.000 1.026 210 T HN 0.342 nan 8.240 nan 0.000 0.533 211 G N 1.910 110.730 108.800 0.034 0.000 2.366 211 G HA2 0.032 3.992 3.960 -0.001 0.000 0.299 211 G HA3 0.032 3.992 3.960 -0.001 0.000 0.299 211 G C 0.052 175.026 174.900 0.122 0.000 1.020 211 G CA 0.113 45.244 45.100 0.052 0.000 1.026 211 G HN 0.925 nan 8.290 nan 0.000 0.512 212 A N -1.166 121.711 122.820 0.095 0.000 2.479 212 A HA 0.912 5.232 4.320 -0.001 0.000 0.296 212 A C -0.288 177.357 177.584 0.103 0.000 1.121 212 A CA -0.402 51.715 52.037 0.132 0.000 0.743 212 A CB 2.134 21.187 19.000 0.088 0.000 1.323 212 A HN 1.219 nan 8.150 nan 0.000 0.415 213 V N 1.076 121.070 119.914 0.133 0.000 2.398 213 V HA 0.518 4.638 4.120 -0.001 0.000 0.286 213 V C -0.069 176.059 176.094 0.057 0.000 1.026 213 V CA -0.310 62.048 62.300 0.097 0.000 0.868 213 V CB 1.262 33.163 31.823 0.130 0.000 0.982 213 V HN 0.909 nan 8.190 nan 0.000 0.443 214 E N 4.761 124.983 120.200 0.038 0.000 2.220 214 E HA 0.565 4.915 4.350 -0.001 0.000 0.256 214 E C -1.603 175.003 176.600 0.010 0.000 0.881 214 E CA -0.524 55.888 56.400 0.020 0.000 0.766 214 E CB 1.367 31.078 29.700 0.018 0.000 1.187 214 E HN 0.629 nan 8.360 nan 0.000 0.419 215 L N 3.414 124.637 121.223 -0.000 0.000 2.317 215 L HA 0.500 4.840 4.340 -0.001 0.000 0.281 215 L C -0.170 176.689 176.870 -0.018 0.000 1.024 215 L CA -0.787 54.048 54.840 -0.009 0.000 0.810 215 L CB 1.772 43.822 42.059 -0.015 0.000 1.240 215 L HN 0.473 nan 8.230 nan 0.000 0.427 216 E N 1.413 121.598 120.200 -0.026 0.000 2.145 216 E HA 0.303 4.652 4.350 -0.001 0.000 0.270 216 E C -0.442 176.119 176.600 -0.065 0.000 0.906 216 E CA -0.511 55.867 56.400 -0.037 0.000 0.761 216 E CB 1.556 31.239 29.700 -0.029 0.000 1.116 216 E HN 0.623 nan 8.360 nan 0.000 0.408 217 S N 1.925 117.577 115.700 -0.081 0.000 3.628 217 S HA -0.124 4.346 4.470 -0.001 0.000 0.373 217 S C -2.173 172.307 174.600 -0.200 0.000 0.968 217 S CA 0.324 58.443 58.200 -0.134 0.000 1.215 217 S CB -1.411 61.707 63.200 -0.136 0.000 0.912 217 S HN 0.509 nan 8.310 nan 0.000 0.495 218 P HA 0.561 nan 4.420 nan 0.000 0.282 218 P C -0.053 177.161 177.300 -0.144 0.000 1.259 218 P CA -0.658 62.366 63.100 -0.126 0.000 0.826 218 P CB 0.611 32.289 31.700 -0.036 0.000 1.064 219 F N 0.782 120.731 119.950 -0.002 0.000 2.370 219 F HA 0.429 4.956 4.527 -0.001 0.000 0.319 219 F C 0.945 176.745 175.800 0.000 0.000 1.129 219 F CA -0.178 57.822 58.000 -0.000 0.000 1.109 219 F CB 0.537 39.536 39.000 -0.002 0.000 1.262 219 F HN 0.071 nan 8.300 nan 0.000 0.534 220 I N 3.236 123.949 120.570 0.239 0.000 2.500 220 I HA 0.211 4.381 4.170 -0.001 0.000 0.286 220 I C -1.498 174.671 176.117 0.087 0.000 1.063 220 I CA -0.824 60.551 61.300 0.125 0.000 1.062 220 I CB 1.882 39.938 38.000 0.094 0.000 1.223 220 I HN 0.216 nan 8.210 nan 0.000 0.435 221 L N 8.243 129.501 121.223 0.058 0.000 2.257 221 L HA 0.526 4.866 4.340 -0.001 0.000 0.290 221 L C -1.090 175.792 176.870 0.020 0.000 1.044 221 L CA 0.032 54.887 54.840 0.025 0.000 0.810 221 L CB 0.798 42.864 42.059 0.012 0.000 1.193 221 L HN 0.453 nan 8.230 nan 0.000 0.425 222 L N 6.410 127.638 121.223 0.008 0.000 2.276 222 L HA 0.740 5.080 4.340 -0.001 0.000 0.286 222 L C -0.047 176.819 176.870 -0.005 0.000 1.024 222 L CA -0.452 54.386 54.840 -0.003 0.000 0.826 222 L CB 1.224 43.274 42.059 -0.015 0.000 1.211 222 L HN 0.804 nan 8.230 nan 0.000 0.422 223 A N 1.764 124.584 122.820 -0.000 0.000 2.311 223 A HA 0.347 4.667 4.320 -0.001 0.000 0.306 223 A C -0.423 177.162 177.584 0.002 0.000 1.189 223 A CA -0.535 51.503 52.037 0.001 0.000 0.791 223 A CB 0.855 19.860 19.000 0.008 0.000 1.172 223 A HN 0.694 nan 8.150 nan 0.000 0.481 224 D N 2.624 123.022 120.400 -0.003 0.000 2.801 224 D HA 0.303 4.942 4.640 -0.001 0.000 0.232 224 D C 0.209 176.513 176.300 0.007 0.000 1.128 224 D CA 0.436 54.436 54.000 -0.001 0.000 1.003 224 D CB -0.565 40.229 40.800 -0.009 0.000 1.110 224 D HN 0.626 nan 8.370 nan 0.000 0.477 225 K N -1.018 119.390 120.400 0.014 0.000 2.735 225 K HA 0.356 4.675 4.320 -0.001 0.000 0.295 225 K C -1.214 175.402 176.600 0.027 0.000 1.052 225 K CA -1.197 55.101 56.287 0.019 0.000 0.853 225 K CB 0.834 33.343 32.500 0.015 0.000 1.535 225 K HN -0.200 nan 8.250 nan 0.000 0.383 226 K N 1.135 121.552 120.400 0.029 0.000 2.156 226 K HA 0.437 4.757 4.320 -0.001 0.000 0.271 226 K C -0.602 176.017 176.600 0.032 0.000 0.995 226 K CA -0.605 55.703 56.287 0.035 0.000 0.890 226 K CB 1.128 33.649 32.500 0.035 0.000 1.073 226 K HN 0.382 nan 8.250 nan 0.000 0.454 227 I N 2.408 123.001 120.570 0.038 0.000 2.307 227 I HA 0.059 4.228 4.170 -0.001 0.000 0.289 227 I C 0.549 176.688 176.117 0.037 0.000 1.021 227 I CA -0.003 61.318 61.300 0.035 0.000 1.224 227 I CB 1.570 39.594 38.000 0.040 0.000 1.376 227 I HN 0.692 nan 8.210 nan 0.000 0.470 228 S N 3.656 119.373 115.700 0.029 0.000 2.527 228 S HA 0.063 4.533 4.470 -0.001 0.000 0.225 228 S C 0.886 175.500 174.600 0.023 0.000 1.046 228 S CA 0.114 58.330 58.200 0.027 0.000 0.929 228 S CB 0.106 63.319 63.200 0.022 0.000 0.851 228 S HN 0.639 nan 8.310 nan 0.000 0.565 229 N N 2.149 120.860 118.700 0.019 0.000 2.439 229 N HA 0.196 4.935 4.740 -0.001 0.000 0.243 229 N C 0.269 175.789 175.510 0.017 0.000 1.088 229 N CA -0.017 53.042 53.050 0.016 0.000 0.940 229 N CB 0.494 38.988 38.487 0.012 0.000 1.180 229 N HN 0.291 nan 8.380 nan 0.000 0.505 230 I N 3.240 123.821 120.570 0.019 0.000 3.164 230 I HA -0.181 3.989 4.170 -0.001 0.000 0.278 230 I C 1.943 178.068 176.117 0.015 0.000 1.320 230 I CA 0.537 61.850 61.300 0.021 0.000 1.422 230 I CB 0.111 38.126 38.000 0.026 0.000 1.066 230 I HN 0.443 nan 8.210 nan 0.000 0.503 231 R N 0.910 121.416 120.500 0.011 0.000 2.075 231 R HA -0.172 4.167 4.340 -0.001 0.000 0.232 231 R C 2.002 178.304 176.300 0.005 0.000 1.126 231 R CA 1.600 57.703 56.100 0.007 0.000 0.963 231 R CB -0.202 30.102 30.300 0.005 0.000 0.858 231 R HN 0.419 nan 8.270 nan 0.000 0.435 232 E N -0.528 119.675 120.200 0.006 0.000 2.147 232 E HA -0.270 4.080 4.350 -0.001 0.000 0.199 232 E C 1.779 178.378 176.600 -0.000 0.000 1.005 232 E CA 1.414 57.815 56.400 0.003 0.000 0.810 232 E CB -0.067 29.636 29.700 0.005 0.000 0.736 232 E HN 0.302 nan 8.360 nan 0.000 0.460 233 M N 0.038 119.640 119.600 0.004 0.000 2.156 233 M HA -0.082 4.398 4.480 -0.001 0.000 0.264 233 M C 2.379 178.677 176.300 -0.004 0.000 1.067 233 M CA 0.975 56.275 55.300 0.001 0.000 1.131 233 M CB -0.853 31.753 32.600 0.011 0.000 1.368 233 M HN 0.167 nan 8.290 nan 0.000 0.416 234 L N 0.538 121.761 121.223 -0.001 0.000 2.077 234 L HA -0.295 4.045 4.340 -0.001 0.000 0.231 234 L C -0.208 176.656 176.870 -0.010 0.000 1.100 234 L CA 2.241 57.080 54.840 -0.003 0.000 0.819 234 L CB -2.802 39.257 42.059 -0.001 0.000 0.913 234 L HN 0.198 nan 8.230 nan 0.000 0.446 235 P HA -0.149 nan 4.420 nan 0.000 0.216 235 P C 1.778 179.057 177.300 -0.035 0.000 1.153 235 P CA 1.794 64.881 63.100 -0.022 0.000 0.858 235 P CB -0.056 31.631 31.700 -0.022 0.000 0.789 236 V N 0.168 120.058 119.914 -0.040 0.000 2.323 236 V HA -0.173 3.947 4.120 -0.001 0.000 0.244 236 V C 2.911 178.970 176.094 -0.059 0.000 1.041 236 V CA 1.312 63.574 62.300 -0.064 0.000 1.025 236 V CB -1.371 30.415 31.823 -0.062 0.000 0.656 236 V HN -0.027 nan 8.190 nan 0.000 0.451 237 L N 0.104 121.310 121.223 -0.029 0.000 2.042 237 L HA -0.231 4.109 4.340 -0.001 0.000 0.210 237 L C 2.679 179.544 176.870 -0.008 0.000 1.076 237 L CA 2.057 56.891 54.840 -0.010 0.000 0.749 237 L CB -0.542 41.521 42.059 0.006 0.000 0.893 237 L HN 0.454 nan 8.230 nan 0.000 0.432 238 E N 0.204 120.397 120.200 -0.013 0.000 2.110 238 E HA -0.250 4.100 4.350 -0.001 0.000 0.193 238 E C 2.195 178.786 176.600 -0.014 0.000 0.988 238 E CA 1.154 57.550 56.400 -0.008 0.000 0.804 238 E CB 0.041 29.735 29.700 -0.010 0.000 0.745 238 E HN 0.484 nan 8.360 nan 0.000 0.458 239 A N 0.419 123.216 122.820 -0.040 0.000 1.902 239 A HA -0.122 4.198 4.320 -0.001 0.000 0.217 239 A C 2.340 179.893 177.584 -0.052 0.000 1.181 239 A CA 1.363 53.364 52.037 -0.061 0.000 0.623 239 A CB -0.486 18.446 19.000 -0.113 0.000 0.818 239 A HN 0.222 nan 8.150 nan 0.000 0.443 240 V N -0.213 119.668 119.914 -0.055 0.000 2.667 240 V HA -0.145 3.975 4.120 -0.001 0.000 0.252 240 V C 2.932 179.076 176.094 0.084 0.000 1.065 240 V CA 1.405 63.724 62.300 0.031 0.000 1.083 240 V CB -1.114 30.736 31.823 0.045 0.000 0.692 240 V HN 0.610 nan 8.190 nan 0.000 0.468 241 A N 0.052 122.898 122.820 0.043 0.000 1.851 241 A HA -0.170 4.150 4.320 -0.001 0.000 0.216 241 A C 1.581 179.195 177.584 0.049 0.000 1.195 241 A CA 1.310 53.372 52.037 0.043 0.000 0.622 241 A CB -0.283 18.732 19.000 0.025 0.000 0.831 241 A HN 0.536 nan 8.150 nan 0.000 0.444 242 K N -2.753 117.671 120.400 0.041 0.000 2.143 242 K HA 0.395 4.715 4.320 -0.001 0.000 0.239 242 K C 1.089 177.736 176.600 0.078 0.000 1.048 242 K CA 0.260 56.574 56.287 0.045 0.000 0.867 242 K CB 0.057 32.575 32.500 0.031 0.000 1.088 242 K HN 0.866 nan 8.250 nan 0.000 0.510 243 A N -0.067 122.800 122.820 0.080 0.000 4.287 243 A HA -0.208 4.112 4.320 -0.001 0.000 0.258 243 A C 1.172 178.813 177.584 0.094 0.000 0.811 243 A CA 1.596 53.703 52.037 0.116 0.000 1.245 243 A CB -2.499 16.639 19.000 0.231 0.000 1.055 243 A HN 1.460 nan 8.150 nan 0.000 0.763 244 G N -0.617 108.233 108.800 0.082 0.000 2.393 244 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.299 244 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.299 244 G C -0.130 174.798 174.900 0.047 0.000 0.990 244 G CA 1.527 46.661 45.100 0.057 0.000 1.118 244 G HN 1.149 nan 8.290 nan 0.000 0.513 245 K N 0.502 120.952 120.400 0.083 0.000 2.318 245 K HA 0.526 4.845 4.320 -0.001 0.000 0.249 245 K C -2.254 174.390 176.600 0.074 0.000 0.942 245 K CA -2.067 54.236 56.287 0.025 0.000 0.808 245 K CB 2.898 35.337 32.500 -0.103 0.000 1.189 245 K HN 0.089 nan 8.250 nan 0.000 0.428 246 P HA 0.132 nan 4.420 nan 0.000 0.274 246 P C -1.209 176.139 177.300 0.080 0.000 1.237 246 P CA -0.566 62.558 63.100 0.039 0.000 0.793 246 P CB 0.786 32.489 31.700 0.005 0.000 0.977 247 L N 2.414 123.680 121.223 0.071 0.000 2.385 247 L HA 0.524 4.864 4.340 -0.001 0.000 0.273 247 L C -1.361 175.519 176.870 0.017 0.000 0.990 247 L CA -1.013 53.882 54.840 0.091 0.000 0.821 247 L CB 1.563 43.679 42.059 0.095 0.000 1.279 247 L HN 0.179 nan 8.230 nan 0.000 0.412 248 L N 6.159 127.401 121.223 0.031 0.000 2.287 248 L HA 0.597 4.937 4.340 -0.001 0.000 0.287 248 L C -1.113 175.765 176.870 0.013 0.000 1.022 248 L CA -0.131 54.706 54.840 -0.005 0.000 0.814 248 L CB 0.960 43.033 42.059 0.024 0.000 1.217 248 L HN 0.454 nan 8.230 nan 0.000 0.420 249 I N 7.075 127.634 120.570 -0.017 0.000 2.315 249 I HA 0.276 4.446 4.170 -0.001 0.000 0.291 249 I C -0.076 176.064 176.117 0.039 0.000 1.006 249 I CA -0.136 61.171 61.300 0.011 0.000 1.265 249 I CB 1.044 39.047 38.000 0.005 0.000 1.387 249 I HN 0.588 nan 8.210 nan 0.000 0.475 250 I N 6.244 126.844 120.570 0.050 0.000 2.460 250 I HA 0.482 4.652 4.170 -0.001 0.000 0.277 250 I C 0.279 176.420 176.117 0.040 0.000 1.057 250 I CA -0.229 61.110 61.300 0.066 0.000 1.179 250 I CB 1.138 39.170 38.000 0.054 0.000 1.329 250 I HN 0.615 nan 8.210 nan 0.000 0.478 251 A N 4.153 127.004 122.820 0.052 0.000 2.387 251 A HA 0.448 4.768 4.320 -0.001 0.000 0.298 251 A C 0.885 178.499 177.584 0.050 0.000 1.165 251 A CA -0.539 51.523 52.037 0.042 0.000 0.814 251 A CB 1.403 20.430 19.000 0.044 0.000 1.357 251 A HN 0.694 nan 8.150 nan 0.000 0.443 252 E N -0.718 119.507 120.200 0.042 0.000 2.204 252 E HA -0.093 4.257 4.350 -0.001 0.000 0.195 252 E C -0.442 176.195 176.600 0.062 0.000 0.990 252 E CA 1.525 57.954 56.400 0.050 0.000 0.821 252 E CB 0.132 29.857 29.700 0.042 0.000 0.750 252 E HN 0.645 nan 8.360 nan 0.000 0.477 253 D N -2.291 118.147 120.400 0.063 0.000 2.898 253 D HA 0.035 4.675 4.640 -0.001 0.000 0.254 253 D C -1.988 174.356 176.300 0.072 0.000 1.107 253 D CA -0.459 53.584 54.000 0.072 0.000 0.729 253 D CB 1.107 41.945 40.800 0.064 0.000 1.734 253 D HN -0.139 nan 8.370 nan 0.000 0.452 254 V N 2.851 122.818 119.914 0.088 0.000 2.376 254 V HA 0.411 4.531 4.120 -0.001 0.000 0.287 254 V C 0.243 176.389 176.094 0.087 0.000 1.015 254 V CA -0.680 61.675 62.300 0.091 0.000 0.834 254 V CB 1.314 33.210 31.823 0.122 0.000 1.001 254 V HN 0.476 nan 8.190 nan 0.000 0.428 255 E N 2.624 122.864 120.200 0.065 0.000 2.392 255 E HA 0.297 4.647 4.350 -0.001 0.000 0.259 255 E C 1.441 178.072 176.600 0.051 0.000 1.108 255 E CA 0.406 56.838 56.400 0.054 0.000 0.916 255 E CB 1.136 30.860 29.700 0.041 0.000 0.989 255 E HN 0.761 nan 8.360 nan 0.000 0.432 256 G N 2.004 110.828 108.800 0.041 0.000 2.853 256 G HA2 -0.449 3.511 3.960 -0.001 0.000 0.234 256 G HA3 -0.449 3.511 3.960 -0.001 0.000 0.234 256 G C 1.377 176.289 174.900 0.020 0.000 1.198 256 G CA 1.753 46.871 45.100 0.029 0.000 0.767 256 G HN 0.644 nan 8.290 nan 0.000 0.657 257 E N 0.720 120.930 120.200 0.016 0.000 2.038 257 E HA -0.002 4.348 4.350 -0.001 0.000 0.195 257 E C 2.852 179.463 176.600 0.017 0.000 1.000 257 E CA 1.840 58.246 56.400 0.009 0.000 0.803 257 E CB -0.757 28.948 29.700 0.008 0.000 0.750 257 E HN 0.414 nan 8.360 nan 0.000 0.448 258 A N 0.305 123.144 122.820 0.030 0.000 1.883 258 A HA -0.189 4.131 4.320 -0.001 0.000 0.217 258 A C 2.234 179.856 177.584 0.062 0.000 1.186 258 A CA 1.684 53.747 52.037 0.043 0.000 0.624 258 A CB -0.894 18.135 19.000 0.049 0.000 0.822 258 A HN 0.381 nan 8.150 nan 0.000 0.444 259 L N -0.372 120.895 121.223 0.073 0.000 2.046 259 L HA -0.072 4.268 4.340 -0.001 0.000 0.208 259 L C 2.755 179.648 176.870 0.039 0.000 1.077 259 L CA 2.087 56.989 54.840 0.104 0.000 0.747 259 L CB -0.760 41.358 42.059 0.099 0.000 0.896 259 L HN 0.370 nan 8.230 nan 0.000 0.432 260 A N -1.574 121.243 122.820 -0.006 0.000 1.883 260 A HA -0.247 4.073 4.320 -0.001 0.000 0.217 260 A C 2.274 179.833 177.584 -0.043 0.000 1.186 260 A CA 2.479 54.481 52.037 -0.058 0.000 0.624 260 A CB -1.273 17.695 19.000 -0.053 0.000 0.822 260 A HN 0.507 nan 8.150 nan 0.000 0.444 261 T N 0.616 115.168 114.554 -0.003 0.000 2.684 261 T HA -0.131 4.219 4.350 -0.001 0.000 0.267 261 T C 1.825 176.545 174.700 0.034 0.000 1.036 261 T CA 1.544 63.649 62.100 0.008 0.000 1.148 261 T CB -0.455 68.425 68.868 0.020 0.000 0.863 261 T HN 0.379 nan 8.240 nan 0.000 0.436 262 L N 0.597 121.869 121.223 0.081 0.000 2.012 262 L HA -0.121 4.219 4.340 -0.001 0.000 0.210 262 L C 2.719 179.687 176.870 0.162 0.000 1.073 262 L CA 1.073 56.004 54.840 0.152 0.000 0.748 262 L CB -0.861 41.357 42.059 0.265 0.000 0.891 262 L HN 0.144 nan 8.230 nan 0.000 0.431 263 V N -0.537 119.423 119.914 0.076 0.000 2.255 263 V HA -0.283 3.837 4.120 -0.001 0.000 0.247 263 V C 2.456 178.521 176.094 -0.047 0.000 1.051 263 V CA 1.758 64.029 62.300 -0.048 0.000 1.018 263 V CB -0.343 31.303 31.823 -0.295 0.000 0.641 263 V HN 0.182 nan 8.190 nan 0.000 0.445 264 V N 0.465 120.335 119.914 -0.073 0.000 2.219 264 V HA -0.373 3.746 4.120 -0.001 0.000 0.248 264 V C 2.105 178.190 176.094 -0.016 0.000 1.053 264 V CA 2.824 65.087 62.300 -0.062 0.000 1.009 264 V CB -1.073 30.715 31.823 -0.059 0.000 0.636 264 V HN 0.629 nan 8.190 nan 0.000 0.445 265 N N -0.005 118.700 118.700 0.008 0.000 2.104 265 N HA -0.191 4.549 4.740 -0.001 0.000 0.190 265 N C 1.874 177.405 175.510 0.036 0.000 1.024 265 N CA 1.828 54.891 53.050 0.021 0.000 0.853 265 N CB -0.250 38.254 38.487 0.029 0.000 1.008 265 N HN 0.734 nan 8.380 nan 0.000 0.424 266 T N -1.329 113.262 114.554 0.063 0.000 2.951 266 T HA -0.053 4.297 4.350 -0.001 0.000 0.268 266 T C 1.667 176.402 174.700 0.059 0.000 1.073 266 T CA 0.633 62.779 62.100 0.076 0.000 1.134 266 T CB -0.096 68.851 68.868 0.131 0.000 0.884 266 T HN 0.136 nan 8.240 nan 0.000 0.479 267 M N 0.224 119.848 119.600 0.041 0.000 2.562 267 M HA 0.233 4.713 4.480 -0.001 0.000 0.257 267 M C 1.858 178.165 176.300 0.011 0.000 1.099 267 M CA 0.704 56.017 55.300 0.022 0.000 1.099 267 M CB 0.058 32.653 32.600 -0.009 0.000 1.427 267 M HN 0.138 nan 8.290 nan 0.000 0.489 268 R N -1.031 119.476 120.500 0.011 0.000 2.362 268 R HA 0.244 4.583 4.340 -0.001 0.000 0.227 268 R C 1.186 177.493 176.300 0.012 0.000 0.905 268 R CA 0.563 56.667 56.100 0.006 0.000 1.067 268 R CB 0.413 30.714 30.300 0.002 0.000 1.078 268 R HN 0.534 nan 8.270 nan 0.000 0.516 269 G N 1.471 110.282 108.800 0.020 0.000 2.268 269 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.240 269 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.240 269 G C 0.272 175.186 174.900 0.024 0.000 1.010 269 G CA -0.332 44.780 45.100 0.021 0.000 0.618 269 G HN 0.230 nan 8.290 nan 0.000 0.516 270 I N 2.200 122.784 120.570 0.023 0.000 2.347 270 I HA 0.427 4.597 4.170 -0.001 0.000 0.294 270 I C 0.750 176.887 176.117 0.033 0.000 1.090 270 I CA -0.483 60.832 61.300 0.025 0.000 1.314 270 I CB 0.771 38.782 38.000 0.019 0.000 1.423 270 I HN 0.213 nan 8.210 nan 0.000 0.503 271 V N 5.261 125.198 119.914 0.038 0.000 3.480 271 V HA -0.225 3.894 4.120 -0.001 0.000 0.494 271 V C 0.091 176.217 176.094 0.053 0.000 0.682 271 V CA 0.346 62.674 62.300 0.047 0.000 2.039 271 V CB -0.972 30.878 31.823 0.044 0.000 2.474 271 V HN 0.809 nan 8.190 nan 0.000 0.505 272 K N 3.916 124.348 120.400 0.053 0.000 2.253 272 K HA 0.727 5.046 4.320 -0.001 0.000 0.277 272 K C -0.403 176.220 176.600 0.038 0.000 1.053 272 K CA -0.536 55.783 56.287 0.053 0.000 0.892 272 K CB 1.888 34.414 32.500 0.042 0.000 1.102 272 K HN 0.515 nan 8.250 nan 0.000 0.469 273 V N 1.176 121.111 119.914 0.034 0.000 3.001 273 V HA 0.825 4.945 4.120 -0.001 0.000 0.314 273 V C -0.861 175.075 176.094 -0.262 0.000 1.099 273 V CA -1.034 61.240 62.300 -0.044 0.000 0.989 273 V CB 1.944 33.774 31.823 0.013 0.000 1.040 273 V HN 0.858 nan 8.190 nan 0.000 0.434 274 A N 1.585 124.115 122.820 -0.484 0.000 2.540 274 A HA 0.954 5.274 4.320 -0.001 0.000 0.297 274 A C -0.816 176.394 177.584 -0.623 0.000 1.056 274 A CA 0.015 51.414 52.037 -1.063 0.000 0.700 274 A CB 1.662 20.317 19.000 -0.575 0.000 1.280 274 A HN 1.770 nan 8.150 nan 0.000 0.398 275 A N 0.899 123.331 122.820 -0.646 0.000 2.413 275 A HA 0.955 5.275 4.320 -0.001 0.000 0.307 275 A C -0.390 177.216 177.584 0.037 0.000 1.087 275 A CA -0.113 51.847 52.037 -0.128 0.000 0.750 275 A CB 1.558 20.575 19.000 0.028 0.000 1.296 275 A HN 2.395 nan 8.150 nan 0.000 0.423 276 V N -1.182 118.785 119.914 0.089 0.000 3.087 276 V HA 0.607 4.727 4.120 -0.001 0.000 0.306 276 V C -0.652 175.536 176.094 0.157 0.000 1.187 276 V CA -1.229 61.154 62.300 0.138 0.000 0.999 276 V CB 1.458 33.358 31.823 0.129 0.000 1.049 276 V HN 0.901 nan 8.190 nan 0.000 0.431 277 K N 1.971 122.465 120.400 0.157 0.000 2.319 277 K HA 0.651 4.970 4.320 -0.001 0.000 0.265 277 K C 0.490 177.192 176.600 0.170 0.000 1.000 277 K CA 0.332 56.703 56.287 0.141 0.000 0.943 277 K CB 1.107 33.680 32.500 0.122 0.000 0.950 277 K HN 1.158 nan 8.250 nan 0.000 0.485 278 A N 3.680 126.558 122.820 0.096 0.000 2.445 278 A HA 0.211 4.531 4.320 -0.001 0.000 0.242 278 A C -2.031 175.577 177.584 0.040 0.000 1.075 278 A CA -1.150 50.899 52.037 0.019 0.000 0.777 278 A CB -0.358 18.632 19.000 -0.017 0.000 1.013 278 A HN 0.471 nan 8.150 nan 0.000 0.493 279 P HA 0.332 nan 4.420 nan 0.000 0.269 279 P C 0.721 178.046 177.300 0.041 0.000 1.209 279 P CA 1.428 64.543 63.100 0.025 0.000 0.776 279 P CB 0.485 32.078 31.700 -0.178 0.000 0.876 280 G N 2.044 110.918 108.800 0.124 0.000 2.749 280 G HA2 -0.099 3.861 3.960 -0.001 0.000 0.242 280 G HA3 -0.099 3.861 3.960 -0.001 0.000 0.242 280 G C -0.652 174.390 174.900 0.236 0.000 1.364 280 G CA 0.163 45.362 45.100 0.165 0.000 0.888 280 G HN 0.752 nan 8.290 nan 0.000 0.566 281 F N -2.701 117.266 119.950 0.028 0.000 2.726 281 F HA 0.837 5.364 4.527 -0.000 0.000 0.324 281 F C 1.140 176.955 175.800 0.025 0.000 1.140 281 F CA 0.197 58.212 58.000 0.026 0.000 0.964 281 F CB 0.789 39.808 39.000 0.032 0.000 1.399 281 F HN 2.417 nan 8.300 nan 0.000 0.491 282 G N 1.052 109.829 108.800 -0.038 0.000 2.583 282 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.292 282 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.292 282 G C 0.290 175.105 174.900 -0.141 0.000 1.203 282 G CA 0.725 45.740 45.100 -0.142 0.000 0.987 282 G HN 0.858 nan 8.290 nan 0.000 0.554 283 D N 1.004 121.301 120.400 -0.172 0.000 2.216 283 D HA -0.014 4.626 4.640 -0.001 0.000 0.208 283 D C 2.489 178.710 176.300 -0.131 0.000 0.960 283 D CA 1.224 55.156 54.000 -0.115 0.000 0.861 283 D CB -0.194 40.555 40.800 -0.084 0.000 0.985 283 D HN 0.688 nan 8.370 nan 0.000 0.493 284 R N 1.166 121.552 120.500 -0.191 0.000 2.341 284 R HA 0.015 4.354 4.340 -0.001 0.000 0.213 284 R C 2.012 178.229 176.300 -0.138 0.000 1.082 284 R CA 0.635 56.637 56.100 -0.164 0.000 1.017 284 R CB -0.229 29.954 30.300 -0.195 0.000 0.860 284 R HN 0.060 nan 8.270 nan 0.000 0.473 285 R N 1.682 122.102 120.500 -0.133 0.000 2.066 285 R HA 0.009 4.349 4.340 -0.001 0.000 0.224 285 R C 1.465 177.719 176.300 -0.077 0.000 1.122 285 R CA 1.080 57.129 56.100 -0.085 0.000 0.974 285 R CB 0.025 30.300 30.300 -0.041 0.000 0.871 285 R HN 0.185 nan 8.270 nan 0.000 0.435 286 K N 0.311 120.671 120.400 -0.067 0.000 2.103 286 K HA -0.110 4.210 4.320 -0.001 0.000 0.207 286 K C 2.064 178.626 176.600 -0.063 0.000 1.048 286 K CA 1.486 57.740 56.287 -0.055 0.000 0.930 286 K CB -0.112 32.362 32.500 -0.044 0.000 0.716 286 K HN 0.233 nan 8.250 nan 0.000 0.444 287 A N 1.359 124.136 122.820 -0.071 0.000 1.855 287 A HA -0.134 4.186 4.320 -0.001 0.000 0.215 287 A C 2.146 179.682 177.584 -0.080 0.000 1.191 287 A CA 1.376 53.371 52.037 -0.070 0.000 0.613 287 A CB -0.434 18.522 19.000 -0.073 0.000 0.829 287 A HN 0.153 nan 8.150 nan 0.000 0.442 288 M N -0.708 118.834 119.600 -0.097 0.000 2.213 288 M HA -0.078 4.402 4.480 -0.001 0.000 0.263 288 M C 2.174 178.386 176.300 -0.148 0.000 1.062 288 M CA 1.148 56.375 55.300 -0.121 0.000 1.105 288 M CB -0.430 32.087 32.600 -0.139 0.000 1.385 288 M HN 0.418 nan 8.290 nan 0.000 0.417 289 L N 0.060 121.204 121.223 -0.132 0.000 2.083 289 L HA -0.261 4.079 4.340 -0.001 0.000 0.209 289 L C 2.634 179.447 176.870 -0.095 0.000 1.083 289 L CA 1.388 56.151 54.840 -0.128 0.000 0.752 289 L CB -0.249 41.757 42.059 -0.089 0.000 0.899 289 L HN 0.331 nan 8.230 nan 0.000 0.433 290 Q N 0.078 119.833 119.800 -0.075 0.000 2.083 290 Q HA -0.202 4.138 4.340 -0.001 0.000 0.198 290 Q C 1.683 177.651 176.000 -0.054 0.000 0.969 290 Q CA 1.805 57.575 55.803 -0.055 0.000 0.838 290 Q CB -0.119 28.591 28.738 -0.046 0.000 0.900 290 Q HN 0.398 nan 8.270 nan 0.000 0.436 291 D N 0.095 120.456 120.400 -0.064 0.000 2.116 291 D HA -0.190 4.450 4.640 -0.001 0.000 0.193 291 D C 1.880 178.149 176.300 -0.051 0.000 0.998 291 D CA 1.592 55.559 54.000 -0.055 0.000 0.836 291 D CB -0.279 40.484 40.800 -0.062 0.000 0.951 291 D HN 0.387 nan 8.370 nan 0.000 0.449 292 I N 1.081 121.604 120.570 -0.079 0.000 2.286 292 I HA -0.265 3.904 4.170 -0.001 0.000 0.248 292 I C 2.512 178.610 176.117 -0.031 0.000 1.115 292 I CA 0.986 62.246 61.300 -0.065 0.000 1.392 292 I CB -0.310 37.614 38.000 -0.126 0.000 1.065 292 I HN -0.068 nan 8.210 nan 0.000 0.418 293 A N 0.786 123.585 122.820 -0.036 0.000 1.865 293 A HA -0.220 4.100 4.320 -0.001 0.000 0.217 293 A C 2.412 179.992 177.584 -0.008 0.000 1.191 293 A CA 2.624 54.651 52.037 -0.017 0.000 0.623 293 A CB -1.219 17.769 19.000 -0.021 0.000 0.826 293 A HN 0.378 nan 8.150 nan 0.000 0.444 294 T N 0.410 114.955 114.554 -0.014 0.000 2.788 294 T HA -0.112 4.238 4.350 -0.001 0.000 0.268 294 T C 1.803 176.502 174.700 -0.003 0.000 1.044 294 T CA 1.255 63.349 62.100 -0.008 0.000 1.139 294 T CB -0.280 68.580 68.868 -0.013 0.000 0.867 294 T HN 0.295 nan 8.240 nan 0.000 0.454 295 L N 1.966 123.187 121.223 -0.004 0.000 2.141 295 L HA -0.032 4.308 4.340 -0.001 0.000 0.209 295 L C 2.158 179.035 176.870 0.012 0.000 1.094 295 L CA 2.103 56.945 54.840 0.004 0.000 0.763 295 L CB -1.168 40.895 42.059 0.006 0.000 0.908 295 L HN 0.442 nan 8.230 nan 0.000 0.437 296 T N -4.413 110.150 114.554 0.015 0.000 3.092 296 T HA 0.284 4.634 4.350 -0.001 0.000 0.258 296 T C 1.232 175.950 174.700 0.030 0.000 1.031 296 T CA 0.322 62.438 62.100 0.025 0.000 0.925 296 T CB 0.054 68.944 68.868 0.036 0.000 1.036 296 T HN 0.484 nan 8.240 nan 0.000 0.544 297 G N 0.582 109.395 108.800 0.021 0.000 2.249 297 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.273 297 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.273 297 G C 0.358 175.276 174.900 0.030 0.000 1.036 297 G CA -0.119 44.995 45.100 0.023 0.000 0.824 297 G HN 1.050 nan 8.290 nan 0.000 0.504 298 G N -1.761 107.054 108.800 0.026 0.000 2.601 298 G HA2 0.754 4.714 3.960 -0.001 0.000 0.317 298 G HA3 0.754 4.714 3.960 -0.001 0.000 0.317 298 G C -0.431 174.474 174.900 0.009 0.000 1.246 298 G CA 0.135 45.251 45.100 0.026 0.000 1.012 298 G HN 0.594 nan 8.290 nan 0.000 0.494 299 T N 0.351 114.907 114.554 0.003 0.000 2.792 299 T HA 0.418 4.768 4.350 -0.001 0.000 0.280 299 T C 0.096 174.790 174.700 -0.010 0.000 0.990 299 T CA -0.271 61.826 62.100 -0.006 0.000 0.960 299 T CB 1.628 70.491 68.868 -0.008 0.000 0.939 299 T HN 0.338 nan 8.240 nan 0.000 0.439 300 V N 4.680 124.585 119.914 -0.014 0.000 2.655 300 V HA 0.219 4.339 4.120 -0.001 0.000 0.300 300 V C 0.368 176.453 176.094 -0.014 0.000 1.044 300 V CA -0.107 62.183 62.300 -0.017 0.000 1.095 300 V CB 0.334 32.144 31.823 -0.023 0.000 0.952 300 V HN 0.771 nan 8.190 nan 0.000 0.485 301 I N 5.192 125.754 120.570 -0.013 0.000 2.412 301 I HA 0.272 4.442 4.170 -0.001 0.000 0.279 301 I C 0.289 176.402 176.117 -0.008 0.000 1.063 301 I CA 0.068 61.362 61.300 -0.011 0.000 1.193 301 I CB 0.923 38.917 38.000 -0.011 0.000 1.370 301 I HN 0.718 nan 8.210 nan 0.000 0.479 302 S N 2.974 118.669 115.700 -0.008 0.000 2.509 302 S HA 0.403 4.873 4.470 -0.001 0.000 0.297 302 S C 0.627 175.224 174.600 -0.004 0.000 1.118 302 S CA -0.819 57.378 58.200 -0.006 0.000 1.074 302 S CB 2.201 65.396 63.200 -0.008 0.000 1.038 302 S HN 0.555 nan 8.310 nan 0.000 0.498 303 E N 1.548 121.748 120.200 -0.001 0.000 2.150 303 E HA -0.149 4.201 4.350 -0.001 0.000 0.193 303 E C 1.510 178.110 176.600 -0.001 0.000 0.985 303 E CA 1.124 57.524 56.400 -0.000 0.000 0.814 303 E CB -0.090 29.612 29.700 0.003 0.000 0.752 303 E HN 0.807 nan 8.360 nan 0.000 0.466 304 E N 0.931 121.130 120.200 -0.001 0.000 2.065 304 E HA -0.224 4.125 4.350 -0.001 0.000 0.201 304 E C 2.027 178.626 176.600 -0.003 0.000 1.016 304 E CA 1.205 57.604 56.400 -0.002 0.000 0.818 304 E CB -0.259 29.439 29.700 -0.003 0.000 0.749 304 E HN 0.310 nan 8.360 nan 0.000 0.453 305 I N -0.076 120.492 120.570 -0.005 0.000 2.916 305 I HA -0.072 4.098 4.170 -0.001 0.000 0.267 305 I C 1.355 177.469 176.117 -0.005 0.000 1.263 305 I CA 0.728 62.025 61.300 -0.005 0.000 1.471 305 I CB -0.306 37.690 38.000 -0.007 0.000 1.089 305 I HN 0.346 nan 8.210 nan 0.000 0.468 306 G N 1.088 109.886 108.800 -0.004 0.000 2.130 306 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.216 306 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.216 306 G C 0.211 175.108 174.900 -0.004 0.000 0.999 306 G CA -0.362 44.736 45.100 -0.003 0.000 0.686 306 G HN 0.236 nan 8.290 nan 0.000 0.515 307 M N 0.238 119.835 119.600 -0.005 0.000 2.255 307 M HA 0.527 5.007 4.480 -0.001 0.000 0.336 307 M C 0.428 176.724 176.300 -0.006 0.000 1.135 307 M CA 0.217 55.513 55.300 -0.007 0.000 1.145 307 M CB 0.861 33.456 32.600 -0.009 0.000 1.473 307 M HN 0.244 nan 8.290 nan 0.000 0.462 308 E N 1.224 121.419 120.200 -0.008 0.000 2.256 308 E HA 0.310 4.659 4.350 -0.001 0.000 0.267 308 E C 0.138 176.732 176.600 -0.010 0.000 0.892 308 E CA -0.573 55.822 56.400 -0.007 0.000 0.775 308 E CB 2.250 31.946 29.700 -0.006 0.000 1.207 308 E HN 0.633 nan 8.360 nan 0.000 0.420 309 L N 1.372 122.590 121.223 -0.008 0.000 2.109 309 L HA -0.156 4.184 4.340 -0.001 0.000 0.207 309 L C 1.666 178.527 176.870 -0.015 0.000 1.086 309 L CA 1.207 56.040 54.840 -0.011 0.000 0.760 309 L CB -0.172 41.883 42.059 -0.006 0.000 0.910 309 L HN 0.563 nan 8.230 nan 0.000 0.437 310 E N 0.433 120.626 120.200 -0.012 0.000 2.160 310 E HA -0.189 4.161 4.350 -0.001 0.000 0.195 310 E C 1.448 178.037 176.600 -0.018 0.000 0.991 310 E CA 1.024 57.415 56.400 -0.014 0.000 0.810 310 E CB -0.048 29.647 29.700 -0.010 0.000 0.742 310 E HN 0.340 nan 8.360 nan 0.000 0.466 311 K N 0.259 120.649 120.400 -0.018 0.000 2.469 311 K HA 0.317 4.637 4.320 -0.001 0.000 0.201 311 K C -0.158 176.426 176.600 -0.027 0.000 1.028 311 K CA -0.051 56.224 56.287 -0.020 0.000 1.170 311 K CB 0.809 33.299 32.500 -0.016 0.000 0.874 311 K HN 0.001 nan 8.250 nan 0.000 0.507 312 A N 1.914 124.715 122.820 -0.032 0.000 2.301 312 A HA 0.293 4.612 4.320 -0.001 0.000 0.298 312 A C 0.425 177.972 177.584 -0.062 0.000 1.185 312 A CA -0.411 51.600 52.037 -0.043 0.000 0.830 312 A CB 0.337 19.312 19.000 -0.042 0.000 1.112 312 A HN 0.244 nan 8.150 nan 0.000 0.508 313 T N 0.103 114.615 114.554 -0.070 0.000 2.948 313 T HA 0.510 4.860 4.350 -0.001 0.000 0.285 313 T C 1.149 175.762 174.700 -0.145 0.000 1.019 313 T CA -0.764 61.280 62.100 -0.093 0.000 1.013 313 T CB 0.588 69.415 68.868 -0.068 0.000 1.117 313 T HN 0.357 nan 8.240 nan 0.000 0.533 314 L N -0.005 121.094 121.223 -0.207 0.000 2.129 314 L HA -0.103 4.237 4.340 -0.001 0.000 0.212 314 L C 2.870 179.617 176.870 -0.205 0.000 1.087 314 L CA 1.733 56.355 54.840 -0.363 0.000 0.757 314 L CB -0.556 41.264 42.059 -0.399 0.000 0.896 314 L HN 0.874 nan 8.230 nan 0.000 0.434 315 E N -0.037 120.105 120.200 -0.096 0.000 2.268 315 E HA -0.207 4.143 4.350 -0.001 0.000 0.195 315 E C 1.360 177.946 176.600 -0.024 0.000 0.995 315 E CA 0.827 57.209 56.400 -0.031 0.000 0.836 315 E CB 0.197 29.886 29.700 -0.019 0.000 0.763 315 E HN 0.474 nan 8.360 nan 0.000 0.491 316 D N -0.084 120.287 120.400 -0.048 0.000 2.289 316 D HA -0.042 4.598 4.640 -0.001 0.000 0.207 316 D C 0.094 176.382 176.300 -0.020 0.000 0.966 316 D CA 0.251 54.232 54.000 -0.031 0.000 0.868 316 D CB 0.225 41.002 40.800 -0.039 0.000 0.943 316 D HN 0.123 nan 8.370 nan 0.000 0.514 317 L N 0.973 122.173 121.223 -0.039 0.000 2.426 317 L HA 0.256 4.596 4.340 -0.001 0.000 0.271 317 L C 1.522 178.457 176.870 0.108 0.000 1.169 317 L CA 0.078 54.926 54.840 0.013 0.000 0.836 317 L CB 0.660 42.674 42.059 -0.075 0.000 1.112 317 L HN -0.153 nan 8.230 nan 0.000 0.465 318 G N 1.400 110.269 108.800 0.116 0.000 2.516 318 G HA2 0.473 4.433 3.960 -0.001 0.000 0.276 318 G HA3 0.473 4.433 3.960 -0.001 0.000 0.276 318 G C -0.865 174.133 174.900 0.163 0.000 1.390 318 G CA -0.152 45.013 45.100 0.109 0.000 1.050 318 G HN 0.572 nan 8.290 nan 0.000 0.519 319 Q N -2.639 117.215 119.800 0.090 0.000 2.503 319 Q HA 0.538 4.878 4.340 -0.001 0.000 0.268 319 Q C -1.316 174.684 176.000 0.000 0.000 0.982 319 Q CA -0.503 55.322 55.803 0.036 0.000 0.907 319 Q CB 1.902 30.654 28.738 0.025 0.000 1.467 319 Q HN 1.116 nan 8.270 nan 0.000 0.394 320 A N 1.982 124.782 122.820 -0.033 0.000 2.609 320 A HA 0.483 4.803 4.320 -0.001 0.000 0.291 320 A C -0.787 176.768 177.584 -0.048 0.000 1.096 320 A CA -0.626 51.397 52.037 -0.024 0.000 0.684 320 A CB 1.545 20.546 19.000 0.002 0.000 1.282 320 A HN 0.761 nan 8.150 nan 0.000 0.412 321 K N -0.500 119.879 120.400 -0.036 0.000 2.296 321 K HA 0.075 4.395 4.320 -0.001 0.000 0.200 321 K C 0.618 177.196 176.600 -0.036 0.000 1.048 321 K CA 1.091 57.353 56.287 -0.042 0.000 0.966 321 K CB 0.224 32.706 32.500 -0.031 0.000 0.754 321 K HN 0.534 nan 8.250 nan 0.000 0.466 322 R N 0.173 120.659 120.500 -0.024 0.000 2.633 322 R HA 0.147 4.486 4.340 -0.001 0.000 0.255 322 R C -1.949 174.346 176.300 -0.008 0.000 1.106 322 R CA -0.542 55.547 56.100 -0.018 0.000 0.959 322 R CB 1.604 31.895 30.300 -0.016 0.000 1.259 322 R HN -0.046 nan 8.270 nan 0.000 0.453 323 V N 0.771 120.681 119.914 -0.007 0.000 2.735 323 V HA 0.867 4.987 4.120 -0.001 0.000 0.310 323 V C -1.265 174.825 176.094 -0.007 0.000 1.061 323 V CA -0.625 61.674 62.300 -0.002 0.000 0.913 323 V CB 2.155 33.982 31.823 0.006 0.000 1.005 323 V HN 0.431 nan 8.190 nan 0.000 0.428 324 V N 5.619 125.523 119.914 -0.017 0.000 2.483 324 V HA 0.555 4.675 4.120 -0.001 0.000 0.297 324 V C -0.305 175.772 176.094 -0.028 0.000 1.027 324 V CA -0.286 62.007 62.300 -0.010 0.000 0.855 324 V CB 1.585 33.403 31.823 -0.008 0.000 0.995 324 V HN 0.859 nan 8.190 nan 0.000 0.424 325 I N 4.454 125.031 120.570 0.011 0.000 2.404 325 I HA 0.500 4.670 4.170 -0.001 0.000 0.293 325 I C 0.094 176.255 176.117 0.072 0.000 0.992 325 I CA -0.401 60.908 61.300 0.015 0.000 1.149 325 I CB 1.707 39.755 38.000 0.080 0.000 1.315 325 I HN 0.512 nan 8.210 nan 0.000 0.446 326 N N 3.845 122.511 118.700 -0.057 0.000 2.725 326 N HA 0.231 4.971 4.740 -0.001 0.000 0.312 326 N C 0.789 176.028 175.510 -0.452 0.000 1.295 326 N CA -0.527 52.465 53.050 -0.095 0.000 0.914 326 N CB 1.340 39.760 38.487 -0.111 0.000 1.177 326 N HN 0.545 nan 8.380 nan 0.000 0.601 327 K N -0.114 120.049 120.400 -0.396 0.000 2.209 327 K HA -0.135 4.184 4.320 -0.001 0.000 0.204 327 K C -0.614 175.647 176.600 -0.565 0.000 1.048 327 K CA 1.818 57.723 56.287 -0.637 0.000 0.940 327 K CB 0.020 32.412 32.500 -0.181 0.000 0.729 327 K HN 0.620 nan 8.250 nan 0.000 0.451 328 D N -1.451 118.737 120.400 -0.353 0.000 3.120 328 D HA 0.106 4.746 4.640 -0.001 0.000 0.331 328 D C -0.863 175.324 176.300 -0.189 0.000 1.595 328 D CA -0.502 53.354 54.000 -0.240 0.000 0.771 328 D CB 0.536 41.245 40.800 -0.151 0.000 1.274 328 D HN -0.119 nan 8.370 nan 0.000 0.503 329 T N -0.407 114.012 114.554 -0.226 0.000 2.982 329 T HA 0.622 4.972 4.350 -0.001 0.000 0.321 329 T C -1.450 173.067 174.700 -0.305 0.000 1.229 329 T CA -0.339 61.623 62.100 -0.230 0.000 1.044 329 T CB 2.020 70.801 68.868 -0.145 0.000 1.184 329 T HN -0.030 nan 8.240 nan 0.000 0.477 330 T N 2.129 116.374 114.554 -0.515 0.000 2.879 330 T HA 0.630 4.979 4.350 -0.001 0.000 0.290 330 T C -0.773 173.631 174.700 -0.494 0.000 0.993 330 T CA -0.540 61.208 62.100 -0.586 0.000 0.975 330 T CB 1.613 69.888 68.868 -0.987 0.000 0.981 330 T HN 0.593 nan 8.240 nan 0.000 0.439 331 T N 3.778 118.204 114.554 -0.213 0.000 2.840 331 T HA 0.631 4.980 4.350 -0.001 0.000 0.287 331 T C -0.593 174.101 174.700 -0.011 0.000 0.991 331 T CA -0.668 61.382 62.100 -0.083 0.000 0.964 331 T CB 0.144 68.979 68.868 -0.056 0.000 0.954 331 T HN 0.492 nan 8.240 nan 0.000 0.438 332 I N 6.353 126.956 120.570 0.054 0.000 2.325 332 I HA 0.411 4.580 4.170 -0.001 0.000 0.291 332 I C -0.141 175.998 176.117 0.037 0.000 1.019 332 I CA -0.707 60.630 61.300 0.063 0.000 1.302 332 I CB 1.105 39.172 38.000 0.112 0.000 1.401 332 I HN 0.555 nan 8.210 nan 0.000 0.485 333 I N 5.946 126.527 120.570 0.018 0.000 2.362 333 I HA 0.257 4.426 4.170 -0.001 0.000 0.289 333 I C -0.430 175.689 176.117 0.003 0.000 0.994 333 I CA -0.447 60.858 61.300 0.008 0.000 1.158 333 I CB 1.182 39.181 38.000 -0.001 0.000 1.315 333 I HN 0.558 nan 8.210 nan 0.000 0.451 334 D N 5.005 125.408 120.400 0.004 0.000 3.187 334 D HA -0.109 4.531 4.640 -0.001 0.000 0.244 334 D C 0.163 176.463 176.300 0.000 0.000 1.114 334 D CA 0.812 54.812 54.000 -0.001 0.000 0.920 334 D CB -0.217 40.578 40.800 -0.008 0.000 0.970 334 D HN 0.843 nan 8.370 nan 0.000 0.418 335 G N 0.329 109.133 108.800 0.007 0.000 2.467 335 G HA2 0.383 4.343 3.960 -0.001 0.000 0.257 335 G HA3 0.383 4.343 3.960 -0.001 0.000 0.257 335 G C 1.429 176.332 174.900 0.005 0.000 1.227 335 G CA -0.314 44.792 45.100 0.010 0.000 0.835 335 G HN 0.275 nan 8.290 nan 0.000 0.556 336 V N 2.361 122.280 119.914 0.007 0.000 2.871 336 V HA 0.040 4.160 4.120 -0.001 0.000 0.256 336 V C 2.232 178.332 176.094 0.010 0.000 1.082 336 V CA 0.928 63.232 62.300 0.007 0.000 1.105 336 V CB -1.132 30.697 31.823 0.010 0.000 0.713 336 V HN 0.881 nan 8.190 nan 0.000 0.473 337 G N 1.353 110.160 108.800 0.012 0.000 2.238 337 G HA2 -0.054 3.906 3.960 -0.001 0.000 0.234 337 G HA3 -0.054 3.906 3.960 -0.001 0.000 0.234 337 G C -0.003 174.901 174.900 0.006 0.000 1.181 337 G CA -0.109 44.996 45.100 0.010 0.000 0.871 337 G HN 0.309 nan 8.290 nan 0.000 0.490 338 E N 1.545 121.748 120.200 0.005 0.000 2.384 338 E HA 0.013 4.363 4.350 -0.001 0.000 0.266 338 E C 1.436 178.037 176.600 0.001 0.000 1.012 338 E CA -0.233 56.169 56.400 0.003 0.000 0.901 338 E CB 0.947 30.648 29.700 0.003 0.000 0.967 338 E HN 0.622 nan 8.360 nan 0.000 0.435 339 E N 2.015 122.216 120.200 0.001 0.000 2.209 339 E HA -0.219 4.131 4.350 -0.001 0.000 0.196 339 E C 1.576 178.175 176.600 -0.001 0.000 0.993 339 E CA 1.179 57.578 56.400 -0.000 0.000 0.819 339 E CB 0.116 29.816 29.700 -0.001 0.000 0.745 339 E HN 0.547 nan 8.360 nan 0.000 0.477 340 A N 1.456 124.275 122.820 -0.001 0.000 1.877 340 A HA -0.101 4.219 4.320 -0.001 0.000 0.216 340 A C 2.413 179.996 177.584 -0.003 0.000 1.186 340 A CA 1.929 53.965 52.037 -0.002 0.000 0.620 340 A CB -0.516 18.483 19.000 -0.001 0.000 0.822 340 A HN 0.287 nan 8.150 nan 0.000 0.443 341 A N -0.256 122.562 122.820 -0.002 0.000 1.898 341 A HA 0.004 4.324 4.320 -0.001 0.000 0.216 341 A C 2.144 179.725 177.584 -0.005 0.000 1.181 341 A CA 1.373 53.408 52.037 -0.004 0.000 0.620 341 A CB -0.561 18.438 19.000 -0.002 0.000 0.819 341 A HN 0.483 nan 8.150 nan 0.000 0.442 342 I N -0.947 119.621 120.570 -0.004 0.000 2.113 342 I HA -0.273 3.896 4.170 -0.001 0.000 0.238 342 I C 2.777 178.890 176.117 -0.006 0.000 1.070 342 I CA 1.812 63.108 61.300 -0.005 0.000 1.332 342 I CB -0.370 37.628 38.000 -0.002 0.000 1.044 342 I HN 0.324 nan 8.210 nan 0.000 0.402 343 Q N 1.252 121.049 119.800 -0.005 0.000 2.181 343 Q HA -0.149 4.191 4.340 -0.001 0.000 0.205 343 Q C 2.022 178.018 176.000 -0.007 0.000 0.980 343 Q CA 2.047 57.847 55.803 -0.006 0.000 0.862 343 Q CB -0.766 27.970 28.738 -0.004 0.000 0.905 343 Q HN 0.526 nan 8.270 nan 0.000 0.429 344 G N -0.375 108.420 108.800 -0.007 0.000 2.403 344 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.216 344 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.216 344 G C 1.553 176.447 174.900 -0.010 0.000 1.154 344 G CA 0.743 45.838 45.100 -0.008 0.000 0.784 344 G HN 0.345 nan 8.290 nan 0.000 0.538 345 R N 0.419 120.912 120.500 -0.011 0.000 2.081 345 R HA -0.019 4.321 4.340 -0.001 0.000 0.235 345 R C 2.519 178.809 176.300 -0.016 0.000 1.131 345 R CA 1.557 57.648 56.100 -0.014 0.000 0.960 345 R CB -0.904 29.387 30.300 -0.016 0.000 0.856 345 R HN 0.184 nan 8.270 nan 0.000 0.436 346 V N 1.030 120.936 119.914 -0.014 0.000 2.332 346 V HA -0.250 3.869 4.120 -0.001 0.000 0.248 346 V C 2.397 178.483 176.094 -0.014 0.000 1.055 346 V CA 1.954 64.245 62.300 -0.014 0.000 1.038 346 V CB -1.059 30.758 31.823 -0.011 0.000 0.651 346 V HN 0.570 nan 8.190 nan 0.000 0.450 347 A N -0.623 122.190 122.820 -0.012 0.000 1.883 347 A HA -0.312 4.008 4.320 -0.001 0.000 0.217 347 A C 2.188 179.764 177.584 -0.013 0.000 1.186 347 A CA 2.092 54.122 52.037 -0.011 0.000 0.624 347 A CB -0.532 18.462 19.000 -0.009 0.000 0.822 347 A HN 0.633 nan 8.150 nan 0.000 0.444 348 Q N -0.530 119.261 119.800 -0.014 0.000 2.096 348 Q HA -0.146 4.193 4.340 -0.001 0.000 0.204 348 Q C 2.030 178.018 176.000 -0.019 0.000 0.982 348 Q CA 1.685 57.478 55.803 -0.016 0.000 0.850 348 Q CB -0.389 28.338 28.738 -0.017 0.000 0.901 348 Q HN 0.772 nan 8.270 nan 0.000 0.422 349 I N 0.047 120.604 120.570 -0.022 0.000 2.394 349 I HA -0.216 3.953 4.170 -0.001 0.000 0.251 349 I C 2.235 178.337 176.117 -0.025 0.000 1.136 349 I CA 0.900 62.184 61.300 -0.027 0.000 1.425 349 I CB -0.202 37.780 38.000 -0.030 0.000 1.079 349 I HN 0.101 nan 8.210 nan 0.000 0.425 350 R N 0.343 120.831 120.500 -0.020 0.000 2.189 350 R HA -0.094 4.245 4.340 -0.001 0.000 0.218 350 R C 2.226 178.517 176.300 -0.016 0.000 1.074 350 R CA 0.865 56.955 56.100 -0.018 0.000 0.991 350 R CB -0.013 30.278 30.300 -0.014 0.000 0.883 350 R HN 0.467 nan 8.270 nan 0.000 0.457 351 Q N -0.366 119.425 119.800 -0.015 0.000 2.212 351 Q HA -0.076 4.263 4.340 -0.001 0.000 0.199 351 Q C 1.904 177.895 176.000 -0.015 0.000 0.950 351 Q CA 0.655 56.450 55.803 -0.013 0.000 0.863 351 Q CB 0.306 29.037 28.738 -0.012 0.000 0.944 351 Q HN 0.333 nan 8.270 nan 0.000 0.465 352 Q N 0.601 120.390 119.800 -0.019 0.000 2.096 352 Q HA -0.171 4.169 4.340 -0.001 0.000 0.204 352 Q C 2.098 178.085 176.000 -0.022 0.000 0.982 352 Q CA 1.196 56.986 55.803 -0.022 0.000 0.850 352 Q CB -0.276 28.444 28.738 -0.029 0.000 0.901 352 Q HN 0.482 nan 8.270 nan 0.000 0.422 353 I N 1.082 121.638 120.570 -0.023 0.000 2.454 353 I HA -0.236 3.933 4.170 -0.001 0.000 0.254 353 I C 2.150 178.259 176.117 -0.015 0.000 1.156 353 I CA 0.882 62.169 61.300 -0.022 0.000 1.433 353 I CB -0.248 37.738 38.000 -0.023 0.000 1.082 353 I HN 0.145 nan 8.210 nan 0.000 0.432 354 E N 1.241 121.434 120.200 -0.012 0.000 2.016 354 E HA -0.164 4.185 4.350 -0.001 0.000 0.190 354 E C 1.775 178.371 176.600 -0.007 0.000 0.985 354 E CA 1.095 57.490 56.400 -0.008 0.000 0.802 354 E CB -0.406 29.289 29.700 -0.008 0.000 0.762 354 E HN 0.563 nan 8.360 nan 0.000 0.448 355 E N 1.227 121.422 120.200 -0.008 0.000 2.515 355 E HA 0.079 4.429 4.350 -0.001 0.000 0.201 355 E C 0.204 176.802 176.600 -0.004 0.000 1.071 355 E CA 0.021 56.418 56.400 -0.006 0.000 0.880 355 E CB -0.018 29.678 29.700 -0.007 0.000 0.828 355 E HN 0.085 nan 8.360 nan 0.000 0.540 356 A N 1.744 124.560 122.820 -0.006 0.000 2.491 356 A HA 0.077 4.397 4.320 -0.001 0.000 0.261 356 A C 1.031 178.618 177.584 0.004 0.000 1.101 356 A CA -0.007 52.028 52.037 -0.004 0.000 0.772 356 A CB -0.090 18.905 19.000 -0.010 0.000 1.043 356 A HN 0.194 nan 8.150 nan 0.000 0.501 357 T N -0.371 114.189 114.554 0.010 0.000 3.264 357 T HA 0.485 4.834 4.350 -0.001 0.000 0.257 357 T C 0.176 174.891 174.700 0.025 0.000 0.976 357 T CA 0.236 62.345 62.100 0.015 0.000 0.908 357 T CB -0.569 68.307 68.868 0.013 0.000 1.082 357 T HN 1.058 nan 8.240 nan 0.000 0.567 358 S N -0.881 114.837 115.700 0.031 0.000 2.567 358 S HA 0.340 4.809 4.470 -0.001 0.000 0.270 358 S C -0.619 174.011 174.600 0.051 0.000 1.152 358 S CA -0.624 57.607 58.200 0.051 0.000 0.835 358 S CB 1.372 64.621 63.200 0.082 0.000 1.115 358 S HN 0.080 nan 8.310 nan 0.000 0.459 359 D N 0.965 121.407 120.400 0.070 0.000 2.162 359 D HA -0.001 4.639 4.640 -0.001 0.000 0.205 359 D C 1.365 177.715 176.300 0.083 0.000 0.964 359 D CA 1.092 55.129 54.000 0.062 0.000 0.847 359 D CB -0.229 40.610 40.800 0.064 0.000 0.988 359 D HN 0.607 nan 8.370 nan 0.000 0.480 360 Y N 2.587 122.889 120.300 0.004 0.000 2.070 360 Y HA -0.233 4.317 4.550 -0.000 0.000 0.280 360 Y C 1.504 177.403 175.900 -0.001 0.000 1.148 360 Y CA 1.985 60.088 58.100 0.005 0.000 1.125 360 Y CB -0.487 37.978 38.460 0.008 0.000 0.975 360 Y HN -0.166 nan 8.280 nan 0.000 0.492 361 D N -0.404 119.988 120.400 -0.013 0.000 2.228 361 D HA -0.193 4.447 4.640 -0.001 0.000 0.203 361 D C 2.189 178.410 176.300 -0.132 0.000 0.988 361 D CA 1.540 55.474 54.000 -0.110 0.000 0.864 361 D CB -0.256 40.552 40.800 0.013 0.000 0.928 361 D HN 0.347 nan 8.370 nan 0.000 0.469 362 R N 0.361 120.812 120.500 -0.081 0.000 2.075 362 R HA -0.075 4.265 4.340 -0.001 0.000 0.226 362 R C 1.615 177.861 176.300 -0.091 0.000 1.114 362 R CA 0.847 56.909 56.100 -0.064 0.000 0.972 362 R CB 0.208 30.493 30.300 -0.025 0.000 0.869 362 R HN 0.029 nan 8.270 nan 0.000 0.437 363 E N 0.828 120.959 120.200 -0.114 0.000 2.110 363 E HA -0.163 4.186 4.350 -0.001 0.000 0.193 363 E C 1.790 178.295 176.600 -0.160 0.000 0.988 363 E CA 0.937 57.270 56.400 -0.112 0.000 0.804 363 E CB -0.019 29.629 29.700 -0.087 0.000 0.745 363 E HN 0.180 nan 8.360 nan 0.000 0.458 364 K N 0.663 120.897 120.400 -0.277 0.000 2.097 364 K HA -0.007 4.312 4.320 -0.001 0.000 0.205 364 K C 2.377 178.883 176.600 -0.157 0.000 1.050 364 K CA 0.506 56.635 56.287 -0.264 0.000 0.938 364 K CB -0.426 31.827 32.500 -0.413 0.000 0.718 364 K HN 0.196 nan 8.250 nan 0.000 0.442 365 L N 0.949 122.091 121.223 -0.134 0.000 2.109 365 L HA -0.165 4.174 4.340 -0.001 0.000 0.207 365 L C 2.550 179.381 176.870 -0.065 0.000 1.086 365 L CA 1.107 55.894 54.840 -0.088 0.000 0.760 365 L CB -0.344 41.671 42.059 -0.073 0.000 0.910 365 L HN 0.213 nan 8.230 nan 0.000 0.437 366 Q N -0.136 119.626 119.800 -0.062 0.000 2.084 366 Q HA -0.226 4.114 4.340 -0.001 0.000 0.202 366 Q C 2.079 178.057 176.000 -0.037 0.000 0.978 366 Q CA 1.405 57.183 55.803 -0.042 0.000 0.844 366 Q CB -0.103 28.613 28.738 -0.036 0.000 0.898 366 Q HN 0.524 nan 8.270 nan 0.000 0.426 367 E N 0.551 120.723 120.200 -0.046 0.000 2.097 367 E HA -0.205 4.144 4.350 -0.001 0.000 0.196 367 E C 2.103 178.689 176.600 -0.025 0.000 1.000 367 E CA 0.900 57.281 56.400 -0.031 0.000 0.804 367 E CB -0.025 29.652 29.700 -0.039 0.000 0.740 367 E HN 0.265 nan 8.360 nan 0.000 0.454 368 R N 0.340 120.817 120.500 -0.038 0.000 2.073 368 R HA -0.129 4.211 4.340 -0.001 0.000 0.234 368 R C 2.729 179.015 176.300 -0.024 0.000 1.134 368 R CA 1.647 57.727 56.100 -0.034 0.000 0.952 368 R CB -0.654 29.617 30.300 -0.049 0.000 0.850 368 R HN 0.224 nan 8.270 nan 0.000 0.433 369 V N -1.390 118.509 119.914 -0.025 0.000 2.358 369 V HA -0.096 4.024 4.120 -0.001 0.000 0.246 369 V C 2.376 178.464 176.094 -0.011 0.000 1.047 369 V CA 1.715 64.004 62.300 -0.018 0.000 1.035 369 V CB -1.090 30.721 31.823 -0.019 0.000 0.658 369 V HN 0.238 nan 8.190 nan 0.000 0.452 370 A N 0.570 123.384 122.820 -0.010 0.000 1.908 370 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 370 A C 2.345 179.931 177.584 0.003 0.000 1.181 370 A CA 2.438 54.473 52.037 -0.003 0.000 0.627 370 A CB -0.605 18.394 19.000 -0.002 0.000 0.818 370 A HN 0.643 nan 8.150 nan 0.000 0.445 371 K N -1.244 119.160 120.400 0.006 0.000 2.001 371 K HA -0.046 4.273 4.320 -0.001 0.000 0.208 371 K C 1.932 178.540 176.600 0.013 0.000 1.048 371 K CA 1.247 57.544 56.287 0.017 0.000 0.932 371 K CB -0.347 32.168 32.500 0.025 0.000 0.715 371 K HN 0.320 nan 8.250 nan 0.000 0.437 372 L N 0.860 122.084 121.223 0.003 0.000 2.017 372 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 372 L C 2.150 179.020 176.870 0.001 0.000 1.073 372 L CA 1.888 56.728 54.840 0.000 0.000 0.745 372 L CB -0.727 41.327 42.059 -0.009 0.000 0.894 372 L HN 0.170 nan 8.230 nan 0.000 0.432 373 A N -1.421 121.398 122.820 -0.002 0.000 1.935 373 A HA 0.107 4.427 4.320 -0.001 0.000 0.214 373 A C 2.292 179.877 177.584 0.001 0.000 1.178 373 A CA 0.974 53.010 52.037 -0.002 0.000 0.640 373 A CB -1.192 17.805 19.000 -0.004 0.000 0.825 373 A HN 0.452 nan 8.150 nan 0.000 0.447 374 G N -0.702 108.099 108.800 0.002 0.000 2.432 374 G HA2 0.313 4.273 3.960 -0.001 0.000 0.219 374 G HA3 0.313 4.273 3.960 -0.001 0.000 0.219 374 G C 1.221 176.123 174.900 0.005 0.000 1.135 374 G CA 0.864 45.966 45.100 0.004 0.000 0.767 374 G HN 1.656 nan 8.290 nan 0.000 0.550 375 G N -1.716 107.089 108.800 0.007 0.000 2.645 375 G HA2 -0.019 3.941 3.960 -0.001 0.000 0.239 375 G HA3 -0.019 3.941 3.960 -0.001 0.000 0.239 375 G C -0.610 174.295 174.900 0.008 0.000 1.331 375 G CA -0.165 44.940 45.100 0.008 0.000 0.890 375 G HN 1.085 nan 8.290 nan 0.000 0.572 376 V N 0.244 120.161 119.914 0.005 0.000 2.668 376 V HA 0.697 4.816 4.120 -0.001 0.000 0.304 376 V C 0.619 176.711 176.094 -0.003 0.000 1.071 376 V CA -0.067 62.234 62.300 0.002 0.000 0.894 376 V CB 1.418 33.245 31.823 0.005 0.000 1.008 376 V HN 2.133 nan 8.190 nan 0.000 0.425 377 A N 4.689 127.504 122.820 -0.007 0.000 2.354 377 A HA 0.683 5.002 4.320 -0.001 0.000 0.281 377 A C -0.376 177.199 177.584 -0.015 0.000 1.174 377 A CA -0.218 51.813 52.037 -0.011 0.000 0.828 377 A CB 0.495 19.487 19.000 -0.013 0.000 1.099 377 A HN 0.773 nan 8.150 nan 0.000 0.516 378 V N 5.325 125.231 119.914 -0.013 0.000 2.334 378 V HA 0.264 4.383 4.120 -0.001 0.000 0.281 378 V C -0.042 176.043 176.094 -0.016 0.000 1.016 378 V CA -0.135 62.156 62.300 -0.015 0.000 0.832 378 V CB 0.901 32.717 31.823 -0.012 0.000 0.999 378 V HN 0.735 nan 8.190 nan 0.000 0.439 379 I N 5.297 125.855 120.570 -0.020 0.000 2.315 379 I HA 0.361 4.531 4.170 -0.001 0.000 0.291 379 I C 0.296 176.403 176.117 -0.017 0.000 1.006 379 I CA -0.355 60.933 61.300 -0.020 0.000 1.265 379 I CB 0.998 38.982 38.000 -0.025 0.000 1.387 379 I HN 0.485 nan 8.210 nan 0.000 0.475 380 K N 6.164 126.556 120.400 -0.014 0.000 2.347 380 K HA 0.375 4.695 4.320 -0.001 0.000 0.262 380 K C -0.643 175.950 176.600 -0.011 0.000 1.052 380 K CA -0.635 55.645 56.287 -0.012 0.000 0.946 380 K CB 1.643 34.136 32.500 -0.011 0.000 1.220 380 K HN 0.339 nan 8.250 nan 0.000 0.450 381 V N 2.931 122.838 119.914 -0.011 0.000 2.720 381 V HA -0.080 4.040 4.120 -0.001 0.000 0.307 381 V C 1.524 177.613 176.094 -0.008 0.000 1.071 381 V CA 0.404 62.697 62.300 -0.010 0.000 1.199 381 V CB 0.482 32.299 31.823 -0.009 0.000 0.900 381 V HN 0.949 nan 8.190 nan 0.000 0.494 382 G N 2.920 111.716 108.800 -0.007 0.000 2.413 382 G HA2 0.437 4.397 3.960 -0.001 0.000 0.300 382 G HA3 0.437 4.397 3.960 -0.001 0.000 0.300 382 G C 0.301 175.198 174.900 -0.005 0.000 1.370 382 G CA 0.513 45.610 45.100 -0.006 0.000 1.110 382 G HN 1.274 nan 8.290 nan 0.000 0.596 383 A N -2.947 119.870 122.820 -0.005 0.000 3.117 383 A HA 0.850 5.170 4.320 -0.001 0.000 0.158 383 A C 0.424 178.006 177.584 -0.003 0.000 1.138 383 A CA 0.946 52.981 52.037 -0.004 0.000 2.059 383 A CB -0.423 18.575 19.000 -0.004 0.000 2.607 383 A HN 2.624 nan 8.150 nan 0.000 1.059 384 A N -0.457 122.361 122.820 -0.003 0.000 2.419 384 A HA 0.544 4.864 4.320 -0.001 0.000 0.262 384 A C 1.027 178.610 177.584 -0.002 0.000 1.352 384 A CA 1.280 53.315 52.037 -0.003 0.000 0.709 384 A CB -2.623 16.375 19.000 -0.003 0.000 1.150 384 A HN 3.511 nan 8.150 nan 0.000 0.329 385 T N -1.566 112.987 114.554 -0.002 0.000 0.552 385 T HA -0.084 4.265 4.350 -0.001 0.000 0.773 385 T C 0.326 175.025 174.700 -0.001 0.000 0.992 385 T CA 1.496 63.595 62.100 -0.002 0.000 4.070 385 T CB -1.230 67.638 68.868 -0.001 0.000 2.299 385 T HN 1.994 nan 8.240 nan 0.000 0.397 386 E N 1.489 121.689 120.200 -0.001 0.000 2.171 386 E HA -0.145 4.205 4.350 -0.001 0.000 0.197 386 E C 1.989 178.589 176.600 -0.000 0.000 0.997 386 E CA 2.134 58.533 56.400 -0.001 0.000 0.810 386 E CB -0.107 29.593 29.700 -0.001 0.000 0.738 386 E HN 0.681 nan 8.360 nan 0.000 0.467 387 V N 1.029 120.943 119.914 -0.000 0.000 2.244 387 V HA -0.231 3.889 4.120 -0.001 0.000 0.244 387 V C 2.115 178.209 176.094 0.000 0.000 1.042 387 V CA 2.135 64.435 62.300 0.000 0.000 1.006 387 V CB -0.639 31.184 31.823 0.000 0.000 0.641 387 V HN 0.261 nan 8.190 nan 0.000 0.446 388 E N -0.211 119.989 120.200 -0.001 0.000 2.118 388 E HA -0.255 4.095 4.350 -0.001 0.000 0.195 388 E C 2.196 178.795 176.600 -0.001 0.000 0.992 388 E CA 1.473 57.873 56.400 -0.001 0.000 0.804 388 E CB -0.260 29.439 29.700 -0.002 0.000 0.741 388 E HN 0.423 nan 8.360 nan 0.000 0.458 389 M N 1.076 120.675 119.600 -0.002 0.000 2.080 389 M HA -0.180 4.299 4.480 -0.001 0.000 0.260 389 M C 1.688 177.987 176.300 -0.001 0.000 1.068 389 M CA 1.565 56.864 55.300 -0.002 0.000 1.109 389 M CB -0.145 32.454 32.600 -0.002 0.000 1.342 389 M HN -0.103 nan 8.290 nan 0.000 0.405 390 K N 0.095 120.495 120.400 -0.000 0.000 2.148 390 K HA -0.132 4.188 4.320 -0.001 0.000 0.204 390 K C 1.866 178.467 176.600 0.002 0.000 1.050 390 K CA 0.994 57.282 56.287 0.001 0.000 0.942 390 K CB -0.553 31.949 32.500 0.003 0.000 0.724 390 K HN 0.510 nan 8.250 nan 0.000 0.446 391 E N 1.757 121.958 120.200 0.002 0.000 2.107 391 E HA -0.167 4.182 4.350 -0.001 0.000 0.191 391 E C 1.903 178.504 176.600 0.001 0.000 0.982 391 E CA 1.057 57.458 56.400 0.002 0.000 0.809 391 E CB 0.151 29.852 29.700 0.001 0.000 0.756 391 E HN 0.199 nan 8.360 nan 0.000 0.459 392 K N 1.028 121.428 120.400 -0.001 0.000 2.103 392 K HA -0.135 4.185 4.320 -0.001 0.000 0.204 392 K C 2.357 178.955 176.600 -0.003 0.000 1.052 392 K CA 1.222 57.508 56.287 -0.002 0.000 0.945 392 K CB -0.079 32.418 32.500 -0.004 0.000 0.722 392 K HN -0.076 nan 8.250 nan 0.000 0.443 393 K N 0.226 120.624 120.400 -0.003 0.000 2.152 393 K HA -0.162 4.158 4.320 -0.001 0.000 0.206 393 K C 1.842 178.442 176.600 -0.001 0.000 1.048 393 K CA 1.282 57.567 56.287 -0.004 0.000 0.933 393 K CB -0.130 32.368 32.500 -0.002 0.000 0.721 393 K HN 0.243 nan 8.250 nan 0.000 0.447 394 A N 1.388 124.211 122.820 0.005 0.000 1.872 394 A HA -0.115 4.204 4.320 -0.001 0.000 0.214 394 A C 2.056 179.648 177.584 0.014 0.000 1.187 394 A CA 1.213 53.258 52.037 0.013 0.000 0.614 394 A CB -0.414 18.594 19.000 0.013 0.000 0.826 394 A HN 0.312 nan 8.150 nan 0.000 0.442 395 R N -0.525 119.979 120.500 0.008 0.000 2.105 395 R HA -0.100 4.239 4.340 -0.001 0.000 0.239 395 R C 2.010 178.311 176.300 0.001 0.000 1.135 395 R CA 1.464 57.568 56.100 0.007 0.000 0.967 395 R CB -0.615 29.686 30.300 0.002 0.000 0.861 395 R HN 0.400 nan 8.270 nan 0.000 0.442 396 V N 1.031 120.941 119.914 -0.008 0.000 2.295 396 V HA -0.240 3.880 4.120 -0.001 0.000 0.246 396 V C 2.079 178.150 176.094 -0.039 0.000 1.049 396 V CA 1.843 64.130 62.300 -0.021 0.000 1.024 396 V CB -0.440 31.368 31.823 -0.024 0.000 0.648 396 V HN 0.326 nan 8.190 nan 0.000 0.447 397 E N -0.196 119.984 120.200 -0.033 0.000 2.085 397 E HA -0.240 4.110 4.350 -0.001 0.000 0.194 397 E C 1.996 178.577 176.600 -0.032 0.000 0.994 397 E CA 1.591 57.953 56.400 -0.063 0.000 0.801 397 E CB -0.087 29.612 29.700 -0.002 0.000 0.743 397 E HN 0.620 nan 8.360 nan 0.000 0.453 398 D N -0.186 120.248 120.400 0.056 0.000 2.084 398 D HA -0.117 4.523 4.640 -0.001 0.000 0.196 398 D C 1.931 178.272 176.300 0.067 0.000 0.985 398 D CA 1.225 55.297 54.000 0.119 0.000 0.826 398 D CB -0.325 40.521 40.800 0.077 0.000 0.978 398 D HN 0.176 nan 8.370 nan 0.000 0.456 399 A N 1.113 123.945 122.820 0.020 0.000 1.958 399 A HA -0.203 4.117 4.320 -0.001 0.000 0.221 399 A C 2.177 179.754 177.584 -0.011 0.000 1.178 399 A CA 1.178 53.219 52.037 0.007 0.000 0.642 399 A CB -0.730 18.267 19.000 -0.005 0.000 0.816 399 A HN 0.220 nan 8.150 nan 0.000 0.453 400 L N -0.722 120.463 121.223 -0.062 0.000 1.994 400 L HA -0.171 4.169 4.340 -0.001 0.000 0.208 400 L C 2.438 179.251 176.870 -0.095 0.000 1.071 400 L CA 2.300 57.070 54.840 -0.117 0.000 0.745 400 L CB -0.850 41.079 42.059 -0.217 0.000 0.892 400 L HN 0.530 nan 8.230 nan 0.000 0.431 401 H N -0.459 118.609 119.070 -0.002 0.000 2.352 401 H HA -0.090 4.465 4.556 -0.000 0.000 0.299 401 H C 2.105 177.433 175.328 0.001 0.000 1.097 401 H CA 1.499 57.546 56.048 -0.002 0.000 1.311 401 H CB -0.496 29.264 29.762 -0.003 0.000 1.377 401 H HN 0.513 nan 8.280 nan 0.000 0.504 402 A N 0.481 123.376 122.820 0.125 0.000 1.877 402 A HA -0.147 4.173 4.320 -0.001 0.000 0.216 402 A C 2.645 180.256 177.584 0.044 0.000 1.186 402 A CA 2.093 54.172 52.037 0.069 0.000 0.620 402 A CB -0.838 18.192 19.000 0.049 0.000 0.822 402 A HN 0.409 nan 8.150 nan 0.000 0.443 403 T N -0.672 113.899 114.554 0.028 0.000 2.821 403 T HA -0.120 4.230 4.350 -0.001 0.000 0.267 403 T C 2.088 176.799 174.700 0.018 0.000 1.046 403 T CA 1.607 63.716 62.100 0.015 0.000 1.139 403 T CB -0.215 68.653 68.868 0.000 0.000 0.871 403 T HN 0.473 nan 8.240 nan 0.000 0.454 404 R N 1.825 122.339 120.500 0.023 0.000 2.091 404 R HA 0.038 4.377 4.340 -0.001 0.000 0.238 404 R C 2.369 178.691 176.300 0.036 0.000 1.136 404 R CA 1.782 57.899 56.100 0.027 0.000 0.959 404 R CB -0.950 29.374 30.300 0.039 0.000 0.856 404 R HN 0.357 nan 8.270 nan 0.000 0.437 405 A N -0.016 122.832 122.820 0.047 0.000 1.898 405 A HA 0.041 4.361 4.320 -0.001 0.000 0.216 405 A C 2.347 179.949 177.584 0.030 0.000 1.181 405 A CA 1.551 53.613 52.037 0.041 0.000 0.620 405 A CB -0.985 18.043 19.000 0.046 0.000 0.819 405 A HN 0.469 nan 8.150 nan 0.000 0.442 406 A N -0.579 122.257 122.820 0.027 0.000 1.972 406 A HA -0.006 4.314 4.320 -0.001 0.000 0.219 406 A C 2.144 179.738 177.584 0.018 0.000 1.169 406 A CA 1.746 53.795 52.037 0.021 0.000 0.635 406 A CB -0.780 18.231 19.000 0.018 0.000 0.810 406 A HN 0.383 nan 8.150 nan 0.000 0.446 407 V N -0.158 119.766 119.914 0.017 0.000 2.667 407 V HA -0.201 3.919 4.120 -0.001 0.000 0.252 407 V C 2.288 178.392 176.094 0.016 0.000 1.065 407 V CA 2.080 64.389 62.300 0.014 0.000 1.083 407 V CB -0.605 31.225 31.823 0.012 0.000 0.692 407 V HN 0.637 nan 8.190 nan 0.000 0.468 408 E N -0.210 120.002 120.200 0.019 0.000 2.122 408 E HA -0.080 4.270 4.350 -0.001 0.000 0.190 408 E C 1.382 177.993 176.600 0.018 0.000 0.977 408 E CA 0.991 57.403 56.400 0.020 0.000 0.820 408 E CB 0.146 29.861 29.700 0.024 0.000 0.770 408 E HN 0.648 nan 8.360 nan 0.000 0.462 409 E N -0.697 119.514 120.200 0.018 0.000 2.789 409 E HA 0.225 4.574 4.350 -0.001 0.000 0.217 409 E C 0.169 176.778 176.600 0.015 0.000 0.970 409 E CA 0.077 56.487 56.400 0.016 0.000 1.201 409 E CB 1.684 31.394 29.700 0.017 0.000 1.069 409 E HN 0.221 nan 8.360 nan 0.000 0.499 410 G N 1.304 110.113 108.800 0.015 0.000 2.681 410 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.220 410 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.220 410 G C -0.237 174.672 174.900 0.015 0.000 1.353 410 G CA -0.401 44.708 45.100 0.015 0.000 0.872 410 G HN 0.555 nan 8.290 nan 0.000 0.557 411 V N -2.706 117.217 119.914 0.015 0.000 3.102 411 V HA 0.990 5.109 4.120 -0.001 0.000 0.312 411 V C 0.491 176.594 176.094 0.015 0.000 1.135 411 V CA 0.123 62.432 62.300 0.015 0.000 1.022 411 V CB 1.441 33.272 31.823 0.013 0.000 1.056 411 V HN 2.457 nan 8.190 nan 0.000 0.436 412 V N -1.024 118.899 119.914 0.015 0.000 3.159 412 V HA 0.981 5.101 4.120 -0.001 0.000 0.308 412 V C 0.407 176.510 176.094 0.015 0.000 1.190 412 V CA -0.758 61.552 62.300 0.017 0.000 1.037 412 V CB 1.252 33.086 31.823 0.018 0.000 1.060 412 V HN 2.093 nan 8.190 nan 0.000 0.437 413 A N 1.304 124.134 122.820 0.017 0.000 2.537 413 A HA 0.593 4.913 4.320 -0.001 0.000 0.260 413 A C 0.961 178.549 177.584 0.007 0.000 1.082 413 A CA 0.735 52.779 52.037 0.012 0.000 0.765 413 A CB -0.818 18.193 19.000 0.019 0.000 1.019 413 A HN 1.918 nan 8.150 nan 0.000 0.507 414 G N 1.425 110.225 108.800 -0.000 0.000 2.485 414 G HA2 0.491 4.451 3.960 -0.001 0.000 0.260 414 G HA3 0.491 4.451 3.960 -0.001 0.000 0.260 414 G C 1.230 176.126 174.900 -0.006 0.000 1.459 414 G CA -0.024 45.074 45.100 -0.002 0.000 1.060 414 G HN 2.212 nan 8.290 nan 0.000 0.546 415 G N -2.172 106.624 108.800 -0.008 0.000 2.187 415 G HA2 0.196 4.156 3.960 -0.001 0.000 0.261 415 G HA3 0.196 4.156 3.960 -0.001 0.000 0.261 415 G C 1.558 176.465 174.900 0.010 0.000 1.000 415 G CA 1.233 46.330 45.100 -0.004 0.000 0.718 415 G HN 2.484 nan 8.290 nan 0.000 0.519 416 G N -2.347 106.459 108.800 0.010 0.000 2.184 416 G HA2 -0.115 3.844 3.960 -0.001 0.000 0.264 416 G HA3 -0.115 3.844 3.960 -0.001 0.000 0.264 416 G C 1.922 176.832 174.900 0.017 0.000 0.975 416 G CA 1.969 47.078 45.100 0.014 0.000 0.642 416 G HN 2.230 nan 8.290 nan 0.000 0.536 417 V N -1.652 118.272 119.914 0.016 0.000 2.591 417 V HA 0.405 4.525 4.120 -0.001 0.000 0.249 417 V C 2.764 178.874 176.094 0.027 0.000 1.053 417 V CA 1.988 64.301 62.300 0.021 0.000 1.068 417 V CB -0.611 31.220 31.823 0.012 0.000 0.689 417 V HN 1.412 nan 8.190 nan 0.000 0.462 418 A N 0.755 123.588 122.820 0.022 0.000 1.883 418 A HA -0.092 4.228 4.320 -0.001 0.000 0.217 418 A C 2.252 179.851 177.584 0.024 0.000 1.186 418 A CA 2.296 54.347 52.037 0.025 0.000 0.624 418 A CB -0.745 18.267 19.000 0.021 0.000 0.822 418 A HN 0.592 nan 8.150 nan 0.000 0.444 419 L N -0.966 120.269 121.223 0.021 0.000 2.017 419 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 419 L C 2.552 179.435 176.870 0.021 0.000 1.073 419 L CA 1.615 56.467 54.840 0.019 0.000 0.745 419 L CB -0.334 41.735 42.059 0.017 0.000 0.894 419 L HN 0.530 nan 8.230 nan 0.000 0.432 420 I N -0.427 120.157 120.570 0.024 0.000 2.394 420 I HA -0.305 3.865 4.170 -0.001 0.000 0.251 420 I C 2.748 178.885 176.117 0.034 0.000 1.136 420 I CA 0.962 62.278 61.300 0.027 0.000 1.425 420 I CB 0.010 38.027 38.000 0.028 0.000 1.079 420 I HN 0.200 nan 8.210 nan 0.000 0.425 421 R N 0.426 120.950 120.500 0.040 0.000 2.066 421 R HA -0.112 4.228 4.340 -0.001 0.000 0.232 421 R C 2.035 178.357 176.300 0.037 0.000 1.131 421 R CA 2.073 58.202 56.100 0.048 0.000 0.955 421 R CB -1.093 29.240 30.300 0.054 0.000 0.851 421 R HN 0.252 nan 8.270 nan 0.000 0.432 422 V N 0.879 120.810 119.914 0.029 0.000 2.332 422 V HA -0.220 3.899 4.120 -0.001 0.000 0.248 422 V C 2.268 178.374 176.094 0.020 0.000 1.055 422 V CA 2.042 64.356 62.300 0.023 0.000 1.038 422 V CB -0.735 31.099 31.823 0.018 0.000 0.651 422 V HN 0.586 nan 8.190 nan 0.000 0.450 423 A N 0.153 122.984 122.820 0.019 0.000 1.930 423 A HA -0.184 4.136 4.320 -0.001 0.000 0.217 423 A C 2.513 180.108 177.584 0.018 0.000 1.175 423 A CA 1.981 54.028 52.037 0.016 0.000 0.627 423 A CB -0.781 18.228 19.000 0.015 0.000 0.815 423 A HN 0.715 nan 8.150 nan 0.000 0.443 424 S N 0.061 115.775 115.700 0.023 0.000 2.440 424 S HA -0.170 4.300 4.470 -0.001 0.000 0.238 424 S C 1.584 176.196 174.600 0.020 0.000 1.010 424 S CA 1.572 59.787 58.200 0.024 0.000 0.972 424 S CB -0.372 62.848 63.200 0.034 0.000 0.774 424 S HN 0.633 nan 8.310 nan 0.000 0.501 425 K N 0.504 120.915 120.400 0.020 0.000 2.400 425 K HA 0.287 4.607 4.320 -0.001 0.000 0.194 425 K C 0.898 177.505 176.600 0.012 0.000 1.033 425 K CA 0.312 56.609 56.287 0.016 0.000 1.021 425 K CB -0.080 32.430 32.500 0.017 0.000 0.808 425 K HN 0.424 nan 8.250 nan 0.000 0.505 426 L N 0.691 121.921 121.223 0.011 0.000 2.728 426 L HA 0.217 4.557 4.340 -0.001 0.000 0.235 426 L C 1.742 178.616 176.870 0.007 0.000 1.197 426 L CA -0.304 54.541 54.840 0.008 0.000 0.992 426 L CB -0.035 42.028 42.059 0.007 0.000 1.263 426 L HN 0.050 nan 8.230 nan 0.000 0.484 427 A N -0.049 122.776 122.820 0.008 0.000 2.076 427 A HA -0.184 4.136 4.320 -0.001 0.000 0.220 427 A C 1.576 179.163 177.584 0.005 0.000 1.160 427 A CA 1.621 53.663 52.037 0.007 0.000 0.653 427 A CB -0.171 18.833 19.000 0.007 0.000 0.801 427 A HN 0.393 nan 8.150 nan 0.000 0.455 428 D N -1.323 119.080 120.400 0.005 0.000 2.369 428 D HA 0.158 4.797 4.640 -0.001 0.000 0.211 428 D C 0.204 176.506 176.300 0.003 0.000 1.077 428 D CA -0.312 53.690 54.000 0.004 0.000 0.842 428 D CB -0.022 40.780 40.800 0.003 0.000 0.947 428 D HN 0.344 nan 8.370 nan 0.000 0.509 429 L N 2.148 123.373 121.223 0.003 0.000 2.540 429 L HA 0.038 4.378 4.340 -0.001 0.000 0.276 429 L C 0.116 176.987 176.870 0.002 0.000 1.212 429 L CA 0.667 55.509 54.840 0.003 0.000 0.893 429 L CB 0.116 42.177 42.059 0.003 0.000 1.138 429 L HN -0.220 nan 8.230 nan 0.000 0.491 430 R N 3.275 123.776 120.500 0.001 0.000 2.837 430 R HA 0.683 5.022 4.340 -0.001 0.000 0.271 430 R C -0.103 176.197 176.300 0.001 0.000 0.993 430 R CA -0.287 55.813 56.100 0.001 0.000 0.931 430 R CB 1.509 31.810 30.300 0.001 0.000 1.206 430 R HN 0.806 nan 8.270 nan 0.000 0.474 431 G N -0.269 108.531 108.800 0.001 0.000 2.890 431 G HA2 0.200 4.160 3.960 -0.001 0.000 0.189 431 G HA3 0.200 4.160 3.960 -0.001 0.000 0.189 431 G C 0.060 174.961 174.900 0.000 0.000 1.342 431 G CA -0.183 44.917 45.100 0.000 0.000 1.026 431 G HN 0.422 nan 8.290 nan 0.000 0.579 432 Q N -0.561 119.239 119.800 0.000 0.000 2.402 432 Q HA 0.153 4.493 4.340 -0.001 0.000 0.206 432 Q C -0.043 175.957 176.000 0.000 0.000 0.919 432 Q CA 0.583 56.386 55.803 0.000 0.000 0.923 432 Q CB 0.247 28.985 28.738 0.000 0.000 1.048 432 Q HN 0.625 nan 8.270 nan 0.000 0.515 433 N N -2.068 116.632 118.700 0.001 0.000 3.039 433 N HA 0.082 4.822 4.740 -0.001 0.000 0.257 433 N C -0.090 175.421 175.510 0.001 0.000 1.497 433 N CA -0.612 52.438 53.050 0.001 0.000 0.861 433 N CB 0.470 38.958 38.487 0.001 0.000 1.479 433 N HN -0.361 nan 8.380 nan 0.000 0.547 434 E N -0.192 120.009 120.200 0.001 0.000 2.110 434 E HA -0.131 4.218 4.350 -0.001 0.000 0.193 434 E C 0.309 176.909 176.600 0.001 0.000 0.988 434 E CA 1.140 57.541 56.400 0.001 0.000 0.804 434 E CB -0.282 29.419 29.700 0.001 0.000 0.745 434 E HN 0.565 nan 8.360 nan 0.000 0.458 435 D N 0.530 120.931 120.400 0.001 0.000 2.097 435 D HA -0.156 4.484 4.640 -0.001 0.000 0.195 435 D C 1.978 178.279 176.300 0.002 0.000 0.989 435 D CA 0.903 54.904 54.000 0.002 0.000 0.827 435 D CB -0.179 40.623 40.800 0.002 0.000 0.966 435 D HN 0.275 nan 8.370 nan 0.000 0.456 436 Q N 0.116 119.917 119.800 0.002 0.000 2.124 436 Q HA -0.117 4.222 4.340 -0.001 0.000 0.202 436 Q C 1.854 177.855 176.000 0.002 0.000 0.977 436 Q CA 0.758 56.562 55.803 0.002 0.000 0.850 436 Q CB 0.050 28.789 28.738 0.001 0.000 0.901 436 Q HN 0.244 nan 8.270 nan 0.000 0.429 437 N N -0.179 118.522 118.700 0.002 0.000 2.120 437 N HA -0.126 4.614 4.740 -0.001 0.000 0.188 437 N C 1.835 177.347 175.510 0.002 0.000 1.024 437 N CA 1.047 54.098 53.050 0.002 0.000 0.852 437 N CB -0.280 38.208 38.487 0.001 0.000 1.003 437 N HN 0.061 nan 8.380 nan 0.000 0.424 438 V N 1.020 120.935 119.914 0.002 0.000 2.343 438 V HA -0.160 3.960 4.120 -0.001 0.000 0.247 438 V C 2.471 178.567 176.094 0.003 0.000 1.051 438 V CA 1.999 64.300 62.300 0.003 0.000 1.036 438 V CB -1.270 30.554 31.823 0.002 0.000 0.654 438 V HN 0.335 nan 8.190 nan 0.000 0.451 439 G N 0.051 108.853 108.800 0.003 0.000 2.446 439 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.217 439 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.217 439 G C 1.570 176.472 174.900 0.003 0.000 1.168 439 G CA 1.178 46.280 45.100 0.003 0.000 0.771 439 G HN 0.486 nan 8.290 nan 0.000 0.551 440 I N 0.364 120.935 120.570 0.002 0.000 2.163 440 I HA -0.167 4.003 4.170 -0.001 0.000 0.243 440 I C 2.706 178.825 176.117 0.003 0.000 1.085 440 I CA 1.126 62.427 61.300 0.002 0.000 1.347 440 I CB -0.148 37.854 38.000 0.002 0.000 1.044 440 I HN 0.039 nan 8.210 nan 0.000 0.408 441 K N 0.503 120.905 120.400 0.003 0.000 2.148 441 K HA -0.062 4.258 4.320 -0.001 0.000 0.204 441 K C 2.127 178.730 176.600 0.004 0.000 1.050 441 K CA 0.924 57.214 56.287 0.004 0.000 0.942 441 K CB -0.587 31.915 32.500 0.004 0.000 0.724 441 K HN 0.223 nan 8.250 nan 0.000 0.446 442 V N 1.618 121.535 119.914 0.004 0.000 2.295 442 V HA -0.248 3.872 4.120 -0.001 0.000 0.246 442 V C 2.467 178.564 176.094 0.005 0.000 1.049 442 V CA 2.028 64.331 62.300 0.005 0.000 1.024 442 V CB -0.725 31.101 31.823 0.005 0.000 0.648 442 V HN 0.288 nan 8.190 nan 0.000 0.447 443 A N -0.308 122.515 122.820 0.005 0.000 1.873 443 A HA -0.121 4.199 4.320 -0.001 0.000 0.215 443 A C 2.194 179.782 177.584 0.006 0.000 1.186 443 A CA 1.657 53.697 52.037 0.005 0.000 0.616 443 A CB -0.550 18.452 19.000 0.004 0.000 0.823 443 A HN 0.482 nan 8.150 nan 0.000 0.442 444 L N -1.118 120.109 121.223 0.006 0.000 2.042 444 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 444 L C 2.829 179.704 176.870 0.008 0.000 1.076 444 L CA 1.805 56.649 54.840 0.008 0.000 0.749 444 L CB -0.525 41.538 42.059 0.007 0.000 0.893 444 L HN 0.449 nan 8.230 nan 0.000 0.432 445 R N 0.232 120.737 120.500 0.007 0.000 2.075 445 R HA -0.150 4.190 4.340 -0.001 0.000 0.232 445 R C 2.359 178.663 176.300 0.007 0.000 1.126 445 R CA 1.338 57.442 56.100 0.007 0.000 0.963 445 R CB -0.186 30.117 30.300 0.005 0.000 0.858 445 R HN 0.344 nan 8.270 nan 0.000 0.435 446 A N 0.716 123.541 122.820 0.007 0.000 1.972 446 A HA -0.148 4.172 4.320 -0.001 0.000 0.219 446 A C 2.062 179.651 177.584 0.009 0.000 1.169 446 A CA 1.319 53.361 52.037 0.008 0.000 0.635 446 A CB -0.397 18.608 19.000 0.009 0.000 0.810 446 A HN 0.338 nan 8.150 nan 0.000 0.446 447 M N -0.461 119.145 119.600 0.010 0.000 2.623 447 M HA -0.139 4.341 4.480 -0.001 0.000 0.258 447 M C 1.258 177.565 176.300 0.012 0.000 1.067 447 M CA 1.053 56.360 55.300 0.011 0.000 1.068 447 M CB -0.266 32.341 32.600 0.012 0.000 1.409 447 M HN 0.481 nan 8.290 nan 0.000 0.504 448 E N -0.202 120.004 120.200 0.010 0.000 2.452 448 E HA 0.074 4.424 4.350 -0.001 0.000 0.197 448 E C 2.041 178.644 176.600 0.005 0.000 1.022 448 E CA 0.309 56.714 56.400 0.008 0.000 0.890 448 E CB 0.153 29.857 29.700 0.006 0.000 0.918 448 E HN 0.481 nan 8.360 nan 0.000 0.496 449 A N 2.482 125.305 122.820 0.006 0.000 1.873 449 A HA -0.155 4.164 4.320 -0.001 0.000 0.218 449 A C -0.321 177.266 177.584 0.005 0.000 1.193 449 A CA 1.442 53.482 52.037 0.005 0.000 0.629 449 A CB -1.490 17.514 19.000 0.007 0.000 0.826 449 A HN 0.120 nan 8.150 nan 0.000 0.447 450 P HA -0.172 nan 4.420 nan 0.000 0.214 450 P C 1.854 179.159 177.300 0.008 0.000 1.163 450 P CA 0.932 64.037 63.100 0.008 0.000 0.889 450 P CB -0.141 31.566 31.700 0.011 0.000 0.790 451 L N -0.688 120.540 121.223 0.008 0.000 1.989 451 L HA -0.231 4.108 4.340 -0.001 0.000 0.211 451 L C 2.492 179.359 176.870 -0.005 0.000 1.071 451 L CA 1.948 56.793 54.840 0.008 0.000 0.749 451 L CB -0.443 41.619 42.059 0.006 0.000 0.890 451 L HN -0.106 nan 8.230 nan 0.000 0.431 452 R N -0.691 119.802 120.500 -0.012 0.000 2.103 452 R HA -0.280 4.059 4.340 -0.001 0.000 0.242 452 R C 2.244 178.535 176.300 -0.014 0.000 1.142 452 R CA 2.017 58.104 56.100 -0.021 0.000 0.960 452 R CB -0.363 29.928 30.300 -0.015 0.000 0.858 452 R HN 0.389 nan 8.270 nan 0.000 0.439 453 Q N 0.978 120.775 119.800 -0.004 0.000 2.079 453 Q HA -0.084 4.256 4.340 -0.001 0.000 0.200 453 Q C 1.865 177.867 176.000 0.004 0.000 0.974 453 Q CA 1.557 57.360 55.803 -0.001 0.000 0.840 453 Q CB -0.165 28.574 28.738 0.002 0.000 0.898 453 Q HN 0.361 nan 8.270 nan 0.000 0.430 454 I N -0.611 119.965 120.570 0.010 0.000 2.208 454 I HA -0.285 3.885 4.170 -0.001 0.000 0.245 454 I C 2.023 178.160 176.117 0.033 0.000 1.097 454 I CA 1.054 62.367 61.300 0.023 0.000 1.363 454 I CB -0.302 37.718 38.000 0.033 0.000 1.051 454 I HN 0.082 nan 8.210 nan 0.000 0.413 455 V N 0.551 120.475 119.914 0.016 0.000 2.427 455 V HA -0.263 3.857 4.120 -0.001 0.000 0.248 455 V C 2.355 178.446 176.094 -0.006 0.000 1.051 455 V CA 1.518 63.814 62.300 -0.006 0.000 1.048 455 V CB -0.485 31.272 31.823 -0.110 0.000 0.666 455 V HN 0.354 nan 8.190 nan 0.000 0.456 456 L N 0.773 121.990 121.223 -0.009 0.000 2.046 456 L HA -0.132 4.208 4.340 -0.001 0.000 0.208 456 L C 2.176 179.049 176.870 0.004 0.000 1.077 456 L CA 1.889 56.725 54.840 -0.006 0.000 0.747 456 L CB -0.835 41.220 42.059 -0.006 0.000 0.896 456 L HN 0.305 nan 8.230 nan 0.000 0.432 457 N N -1.121 117.584 118.700 0.009 0.000 2.289 457 N HA -0.160 4.579 4.740 -0.001 0.000 0.184 457 N C 1.720 177.240 175.510 0.016 0.000 1.016 457 N CA 1.559 54.615 53.050 0.010 0.000 0.872 457 N CB -0.662 37.831 38.487 0.009 0.000 0.973 457 N HN 0.425 nan 8.380 nan 0.000 0.433 458 C N -0.537 118.780 119.300 0.028 0.000 2.500 458 C HA 0.230 4.690 4.460 -0.001 0.000 0.273 458 C C 1.639 176.647 174.990 0.031 0.000 1.428 458 C CA 0.409 59.450 59.018 0.038 0.000 1.766 458 C CB -1.135 26.654 27.740 0.081 0.000 1.817 458 C HN 0.628 nan 8.230 nan 0.000 0.543 459 G N 0.924 109.735 108.800 0.020 0.000 2.137 459 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.237 459 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.237 459 G C -0.204 174.704 174.900 0.013 0.000 1.002 459 G CA 0.135 45.243 45.100 0.014 0.000 0.702 459 G HN 0.501 nan 8.290 nan 0.000 0.515 460 E N -0.023 120.182 120.200 0.007 0.000 2.285 460 E HA 0.460 4.809 4.350 -0.001 0.000 0.254 460 E C 0.071 176.652 176.600 -0.032 0.000 1.011 460 E CA -0.725 55.669 56.400 -0.010 0.000 0.873 460 E CB 0.676 30.360 29.700 -0.028 0.000 1.229 460 E HN 0.460 nan 8.360 nan 0.000 0.422 461 E N 1.489 121.661 120.200 -0.046 0.000 2.014 461 E HA 0.159 4.508 4.350 -0.001 0.000 0.275 461 E C -1.807 174.752 176.600 -0.068 0.000 0.997 461 E CA -1.677 54.698 56.400 -0.043 0.000 0.804 461 E CB 1.114 30.798 29.700 -0.026 0.000 1.090 461 E HN 0.115 nan 8.360 nan 0.000 0.401 462 P HA -0.239 nan 4.420 nan 0.000 0.215 462 P C 1.199 178.467 177.300 -0.053 0.000 1.163 462 P CA 1.274 64.335 63.100 -0.066 0.000 0.894 462 P CB 0.290 31.967 31.700 -0.039 0.000 0.791 463 S N -0.801 114.879 115.700 -0.033 0.000 2.374 463 S HA -0.147 4.322 4.470 -0.001 0.000 0.227 463 S C 1.961 176.549 174.600 -0.021 0.000 1.037 463 S CA 1.640 59.828 58.200 -0.021 0.000 1.024 463 S CB -1.302 61.889 63.200 -0.014 0.000 0.861 463 S HN -0.029 nan 8.310 nan 0.000 0.456 464 V N 1.102 120.999 119.914 -0.027 0.000 2.283 464 V HA -0.097 4.023 4.120 -0.001 0.000 0.243 464 V C 2.315 178.401 176.094 -0.013 0.000 1.039 464 V CA 1.334 63.623 62.300 -0.017 0.000 1.016 464 V CB -0.836 30.980 31.823 -0.013 0.000 0.650 464 V HN 0.343 nan 8.190 nan 0.000 0.449 465 V N 0.555 120.427 119.914 -0.069 0.000 2.343 465 V HA -0.238 3.882 4.120 -0.001 0.000 0.247 465 V C 2.763 178.847 176.094 -0.017 0.000 1.051 465 V CA 1.998 64.239 62.300 -0.099 0.000 1.036 465 V CB -1.191 30.351 31.823 -0.469 0.000 0.654 465 V HN 0.542 nan 8.190 nan 0.000 0.451 466 A N 0.446 123.245 122.820 -0.036 0.000 1.902 466 A HA -0.297 4.023 4.320 -0.001 0.000 0.217 466 A C 2.079 179.680 177.584 0.029 0.000 1.181 466 A CA 2.369 54.406 52.037 -0.001 0.000 0.623 466 A CB -0.873 18.121 19.000 -0.010 0.000 0.818 466 A HN 0.600 nan 8.150 nan 0.000 0.443 467 N N -0.648 118.064 118.700 0.019 0.000 2.104 467 N HA -0.120 4.620 4.740 -0.001 0.000 0.190 467 N C 1.678 177.212 175.510 0.041 0.000 1.024 467 N CA 2.299 55.363 53.050 0.023 0.000 0.853 467 N CB -0.360 38.132 38.487 0.008 0.000 1.008 467 N HN 0.414 nan 8.380 nan 0.000 0.424 468 T N -0.659 113.928 114.554 0.054 0.000 2.812 468 T HA -0.029 4.321 4.350 -0.001 0.000 0.264 468 T C 1.951 176.761 174.700 0.183 0.000 1.042 468 T CA 1.074 63.209 62.100 0.059 0.000 1.140 468 T CB -0.356 68.477 68.868 -0.058 0.000 0.870 468 T HN 0.004 nan 8.240 nan 0.000 0.445 469 V N 1.638 121.675 119.914 0.205 0.000 2.407 469 V HA -0.164 3.956 4.120 -0.001 0.000 0.248 469 V C 2.446 178.656 176.094 0.193 0.000 1.055 469 V CA 1.528 63.951 62.300 0.205 0.000 1.049 469 V CB -0.481 31.412 31.823 0.116 0.000 0.662 469 V HN 0.462 nan 8.190 nan 0.000 0.455 470 K N 0.158 120.631 120.400 0.122 0.000 2.148 470 K HA -0.079 4.241 4.320 -0.001 0.000 0.204 470 K C 2.239 178.893 176.600 0.090 0.000 1.050 470 K CA 1.262 57.604 56.287 0.091 0.000 0.942 470 K CB -0.541 31.992 32.500 0.055 0.000 0.724 470 K HN 0.565 nan 8.250 nan 0.000 0.446 471 G N 1.212 110.066 108.800 0.091 0.000 2.432 471 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.219 471 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.219 471 G C 0.854 175.776 174.900 0.037 0.000 1.135 471 G CA 0.875 46.006 45.100 0.050 0.000 0.767 471 G HN 0.386 nan 8.290 nan 0.000 0.550 472 G N -0.196 108.670 108.800 0.111 0.000 2.509 472 G HA2 0.489 4.449 3.960 -0.001 0.000 0.269 472 G HA3 0.489 4.449 3.960 -0.001 0.000 0.269 472 G C -0.542 174.410 174.900 0.086 0.000 1.416 472 G CA 0.338 45.445 45.100 0.011 0.000 1.052 472 G HN 0.420 nan 8.290 nan 0.000 0.542 473 D N -3.584 116.866 120.400 0.084 0.000 2.677 473 D HA 0.527 5.167 4.640 -0.001 0.000 0.298 473 D C 0.636 177.006 176.300 0.117 0.000 1.250 473 D CA 0.442 54.496 54.000 0.089 0.000 0.888 473 D CB 0.598 41.419 40.800 0.034 0.000 1.397 473 D HN 1.699 nan 8.370 nan 0.000 0.461 474 G N 0.471 109.322 108.800 0.085 0.000 2.550 474 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.277 474 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.277 474 G C -0.074 174.888 174.900 0.104 0.000 1.190 474 G CA 0.391 45.540 45.100 0.082 0.000 0.971 474 G HN 0.736 nan 8.290 nan 0.000 0.559 475 N N 0.050 118.815 118.700 0.108 0.000 2.451 475 N HA 0.372 5.112 4.740 -0.001 0.000 0.264 475 N C -0.280 175.311 175.510 0.134 0.000 1.167 475 N CA -0.087 53.020 53.050 0.096 0.000 0.898 475 N CB 0.371 38.896 38.487 0.063 0.000 1.176 475 N HN 0.549 nan 8.380 nan 0.000 0.507 476 Y N 0.920 121.254 120.300 0.057 0.000 2.436 476 Y HA 0.553 5.102 4.550 -0.001 0.000 0.336 476 Y C 0.684 176.653 175.900 0.116 0.000 1.049 476 Y CA -0.256 57.894 58.100 0.083 0.000 1.294 476 Y CB 0.079 38.585 38.460 0.077 0.000 1.179 476 Y HN 0.111 nan 8.280 nan 0.000 0.520 477 G N 4.135 112.697 108.800 -0.397 0.000 2.815 477 G HA2 0.251 4.211 3.960 -0.001 0.000 0.305 477 G HA3 0.251 4.211 3.960 -0.001 0.000 0.305 477 G C -2.400 172.340 174.900 -0.266 0.000 1.277 477 G CA -0.902 44.033 45.100 -0.275 0.000 0.795 477 G HN 0.527 nan 8.290 nan 0.000 0.528 478 Y N 1.643 121.743 120.300 -0.332 0.000 2.334 478 Y HA 0.517 5.067 4.550 -0.000 0.000 0.336 478 Y C 0.008 175.713 175.900 -0.325 0.000 0.960 478 Y CA -1.317 56.475 58.100 -0.515 0.000 1.164 478 Y CB 1.282 39.416 38.460 -0.543 0.000 1.155 478 Y HN 0.413 nan 8.280 nan 0.000 0.478 479 N N 4.957 123.249 118.700 -0.681 0.000 2.402 479 N HA 0.090 4.830 4.740 -0.001 0.000 0.259 479 N C 0.651 175.698 175.510 -0.772 0.000 1.167 479 N CA 0.703 53.441 53.050 -0.521 0.000 0.949 479 N CB 1.328 39.595 38.487 -0.368 0.000 1.212 479 N HN 0.941 nan 8.380 nan 0.000 0.493 480 A N 4.006 126.541 122.820 -0.474 0.000 2.019 480 A HA -0.071 4.249 4.320 -0.001 0.000 0.219 480 A C 2.061 179.504 177.584 -0.234 0.000 1.164 480 A CA 1.667 53.518 52.037 -0.311 0.000 0.644 480 A CB -0.424 18.551 19.000 -0.040 0.000 0.805 480 A HN 0.727 nan 8.150 nan 0.000 0.449 481 A N -0.187 122.510 122.820 -0.206 0.000 1.832 481 A HA -0.085 4.234 4.320 -0.001 0.000 0.214 481 A C 2.430 179.923 177.584 -0.152 0.000 1.200 481 A CA 2.456 54.410 52.037 -0.138 0.000 0.610 481 A CB -1.355 17.580 19.000 -0.109 0.000 0.842 481 A HN 0.803 nan 8.150 nan 0.000 0.444 482 T N -2.858 111.580 114.554 -0.193 0.000 3.088 482 T HA 0.125 4.474 4.350 -0.001 0.000 0.259 482 T C 0.312 174.886 174.700 -0.210 0.000 1.122 482 T CA 0.882 62.883 62.100 -0.164 0.000 1.095 482 T CB -0.471 68.312 68.868 -0.141 0.000 0.930 482 T HN 0.589 nan 8.240 nan 0.000 0.508 483 E N 1.229 121.201 120.200 -0.381 0.000 2.320 483 E HA -0.130 4.219 4.350 -0.001 0.000 0.234 483 E C -0.837 175.552 176.600 -0.351 0.000 1.183 483 E CA 0.404 56.525 56.400 -0.466 0.000 0.713 483 E CB -0.907 28.734 29.700 -0.099 0.000 1.226 483 E HN 0.659 nan 8.360 nan 0.000 0.382 484 E N -0.369 119.539 120.200 -0.487 0.000 2.356 484 E HA 0.346 4.695 4.350 -0.001 0.000 0.275 484 E C -0.649 175.776 176.600 -0.292 0.000 0.904 484 E CA -0.713 55.566 56.400 -0.202 0.000 0.757 484 E CB 1.022 30.674 29.700 -0.081 0.000 1.232 484 E HN 0.036 nan 8.360 nan 0.000 0.442 485 Y N 0.144 120.439 120.300 -0.008 0.000 2.340 485 Y HA 0.650 5.200 4.550 -0.001 0.000 0.327 485 Y C 1.312 177.208 175.900 -0.008 0.000 1.321 485 Y CA 0.601 58.673 58.100 -0.047 0.000 1.433 485 Y CB 1.337 39.817 38.460 0.034 0.000 1.373 485 Y HN 0.715 nan 8.280 nan 0.000 0.538 486 G N 0.190 109.067 108.800 0.129 0.000 2.352 486 G HA2 -0.057 3.903 3.960 -0.001 0.000 0.283 486 G HA3 -0.057 3.903 3.960 -0.001 0.000 0.283 486 G C -1.812 173.175 174.900 0.145 0.000 1.308 486 G CA -1.188 44.033 45.100 0.201 0.000 0.892 486 G HN 0.579 nan 8.290 nan 0.000 0.504 487 N N 1.045 119.826 118.700 0.134 0.000 2.411 487 N HA 0.162 4.902 4.740 -0.001 0.000 0.259 487 N C 1.766 177.297 175.510 0.036 0.000 1.103 487 N CA -0.523 52.589 53.050 0.103 0.000 0.954 487 N CB 0.833 39.376 38.487 0.092 0.000 1.085 487 N HN 0.393 nan 8.380 nan 0.000 0.485 488 M N 3.541 123.150 119.600 0.015 0.000 2.108 488 M HA -0.165 4.315 4.480 -0.001 0.000 0.261 488 M C 1.635 177.933 176.300 -0.003 0.000 1.066 488 M CA 1.151 56.443 55.300 -0.013 0.000 1.107 488 M CB -0.587 32.004 32.600 -0.015 0.000 1.356 488 M HN 0.563 nan 8.290 nan 0.000 0.406 489 I N 0.206 120.784 120.570 0.013 0.000 2.202 489 I HA -0.243 3.927 4.170 -0.001 0.000 0.242 489 I C 1.954 178.076 176.117 0.009 0.000 1.091 489 I CA 1.318 62.625 61.300 0.011 0.000 1.368 489 I CB -1.534 36.478 38.000 0.019 0.000 1.058 489 I HN 0.247 nan 8.210 nan 0.000 0.410 490 D N 0.857 121.266 120.400 0.016 0.000 2.123 490 D HA -0.165 4.475 4.640 -0.001 0.000 0.196 490 D C 2.198 178.500 176.300 0.003 0.000 0.992 490 D CA 1.230 55.238 54.000 0.013 0.000 0.833 490 D CB -0.138 40.676 40.800 0.023 0.000 0.954 490 D HN 0.336 nan 8.370 nan 0.000 0.455 491 M N -0.404 119.194 119.600 -0.004 0.000 2.686 491 M HA 0.074 4.553 4.480 -0.001 0.000 0.246 491 M C 0.982 177.268 176.300 -0.024 0.000 1.096 491 M CA 0.585 55.873 55.300 -0.020 0.000 1.076 491 M CB 0.192 32.769 32.600 -0.039 0.000 1.504 491 M HN 0.038 nan 8.290 nan 0.000 0.524 492 G N 2.261 111.052 108.800 -0.015 0.000 2.221 492 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.265 492 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.265 492 G C -0.085 174.803 174.900 -0.020 0.000 1.041 492 G CA -0.142 44.949 45.100 -0.014 0.000 0.807 492 G HN 0.541 nan 8.290 nan 0.000 0.502 493 I N 0.589 121.144 120.570 -0.024 0.000 2.428 493 I HA 0.535 4.704 4.170 -0.001 0.000 0.279 493 I C 0.111 176.217 176.117 -0.017 0.000 1.040 493 I CA -0.903 60.380 61.300 -0.029 0.000 1.171 493 I CB 0.723 38.693 38.000 -0.050 0.000 1.312 493 I HN 0.221 nan 8.210 nan 0.000 0.470 494 L N 3.490 124.708 121.223 -0.009 0.000 2.479 494 L HA 0.780 5.119 4.340 -0.001 0.000 0.255 494 L C -1.398 175.474 176.870 0.003 0.000 1.026 494 L CA -0.717 54.122 54.840 -0.001 0.000 0.842 494 L CB 1.605 43.666 42.059 0.003 0.000 1.444 494 L HN 0.064 nan 8.230 nan 0.000 0.409 495 D N -0.351 120.053 120.400 0.008 0.000 2.575 495 D HA 0.492 5.131 4.640 -0.001 0.000 0.236 495 D C -2.795 173.513 176.300 0.015 0.000 1.075 495 D CA -1.275 52.731 54.000 0.011 0.000 0.860 495 D CB 2.453 43.260 40.800 0.012 0.000 1.475 495 D HN 0.367 nan 8.370 nan 0.000 0.474 496 P HA 0.057 nan 4.420 nan 0.000 0.267 496 P C 0.868 178.180 177.300 0.020 0.000 1.205 496 P CA 0.140 63.252 63.100 0.021 0.000 0.765 496 P CB 0.556 32.271 31.700 0.026 0.000 0.828 497 T N 2.584 117.149 114.554 0.019 0.000 2.760 497 T HA -0.242 4.108 4.350 -0.001 0.000 0.269 497 T C 1.601 176.313 174.700 0.020 0.000 1.047 497 T CA 1.428 63.539 62.100 0.018 0.000 1.139 497 T CB -0.281 68.597 68.868 0.016 0.000 0.855 497 T HN 0.504 nan 8.240 nan 0.000 0.471 498 K N 0.495 120.909 120.400 0.023 0.000 2.057 498 K HA -0.057 4.263 4.320 -0.001 0.000 0.207 498 K C 2.375 178.996 176.600 0.035 0.000 1.049 498 K CA 1.064 57.368 56.287 0.027 0.000 0.931 498 K CB -0.398 32.120 32.500 0.031 0.000 0.714 498 K HN 0.234 nan 8.250 nan 0.000 0.440 499 V N 0.809 120.743 119.914 0.033 0.000 2.358 499 V HA -0.207 3.912 4.120 -0.001 0.000 0.246 499 V C 1.751 177.868 176.094 0.038 0.000 1.047 499 V CA 2.510 64.832 62.300 0.036 0.000 1.035 499 V CB -0.406 31.433 31.823 0.026 0.000 0.658 499 V HN 0.456 nan 8.190 nan 0.000 0.452 500 T N 0.264 114.835 114.554 0.028 0.000 2.746 500 T HA -0.193 4.157 4.350 -0.001 0.000 0.267 500 T C 1.942 176.657 174.700 0.025 0.000 1.039 500 T CA 1.975 64.090 62.100 0.025 0.000 1.142 500 T CB -0.345 68.535 68.868 0.019 0.000 0.866 500 T HN 0.551 nan 8.240 nan 0.000 0.444 501 R N 0.849 121.361 120.500 0.020 0.000 2.083 501 R HA -0.091 4.249 4.340 -0.001 0.000 0.237 501 R C 2.570 178.873 176.300 0.005 0.000 1.137 501 R CA 1.820 57.924 56.100 0.007 0.000 0.951 501 R CB -0.374 29.927 30.300 0.001 0.000 0.851 501 R HN 0.220 nan 8.270 nan 0.000 0.434 502 S N 0.345 116.069 115.700 0.039 0.000 2.382 502 S HA -0.106 4.364 4.470 -0.001 0.000 0.228 502 S C 1.956 176.659 174.600 0.173 0.000 1.027 502 S CA 1.067 59.326 58.200 0.098 0.000 0.991 502 S CB -0.187 63.129 63.200 0.195 0.000 0.823 502 S HN 0.578 nan 8.310 nan 0.000 0.469 503 A N 1.417 124.310 122.820 0.121 0.000 1.877 503 A HA -0.073 4.247 4.320 -0.001 0.000 0.216 503 A C 2.126 179.763 177.584 0.088 0.000 1.186 503 A CA 1.464 53.567 52.037 0.111 0.000 0.620 503 A CB -0.756 18.281 19.000 0.062 0.000 0.822 503 A HN 0.418 nan 8.150 nan 0.000 0.443 504 L N -0.142 121.108 121.223 0.044 0.000 2.005 504 L HA -0.186 4.153 4.340 -0.001 0.000 0.207 504 L C 2.513 179.382 176.870 -0.002 0.000 1.072 504 L CA 2.410 57.262 54.840 0.020 0.000 0.744 504 L CB -0.916 41.147 42.059 0.006 0.000 0.895 504 L HN 0.518 nan 8.230 nan 0.000 0.433 505 Q N -1.799 117.970 119.800 -0.052 0.000 2.084 505 Q HA -0.239 4.101 4.340 -0.001 0.000 0.202 505 Q C 2.144 178.048 176.000 -0.159 0.000 0.978 505 Q CA 2.041 57.760 55.803 -0.140 0.000 0.844 505 Q CB -0.321 28.270 28.738 -0.244 0.000 0.898 505 Q HN 0.522 nan 8.270 nan 0.000 0.426 506 Y N -0.005 120.293 120.300 -0.002 0.000 2.314 506 Y HA -0.117 4.433 4.550 -0.000 0.000 0.293 506 Y C 2.277 178.175 175.900 -0.003 0.000 1.129 506 Y CA 0.837 58.935 58.100 -0.004 0.000 1.201 506 Y CB -0.466 37.990 38.460 -0.006 0.000 0.999 506 Y HN 0.129 nan 8.280 nan 0.000 0.541 507 A N -0.009 122.893 122.820 0.137 0.000 1.855 507 A HA -0.083 4.237 4.320 -0.001 0.000 0.215 507 A C 2.467 180.082 177.584 0.052 0.000 1.191 507 A CA 1.733 53.819 52.037 0.081 0.000 0.613 507 A CB -1.311 17.722 19.000 0.056 0.000 0.829 507 A HN 0.351 nan 8.150 nan 0.000 0.442 508 A N -0.682 122.155 122.820 0.028 0.000 1.986 508 A HA -0.150 4.170 4.320 -0.001 0.000 0.220 508 A C 2.439 180.030 177.584 0.012 0.000 1.171 508 A CA 2.336 54.380 52.037 0.011 0.000 0.640 508 A CB -0.900 18.096 19.000 -0.008 0.000 0.811 508 A HN 0.580 nan 8.150 nan 0.000 0.451 509 S N -1.024 114.686 115.700 0.018 0.000 2.335 509 S HA -0.132 4.338 4.470 -0.001 0.000 0.216 509 S C 1.972 176.596 174.600 0.041 0.000 1.032 509 S CA 1.643 59.858 58.200 0.025 0.000 1.000 509 S CB -0.619 62.606 63.200 0.042 0.000 0.928 509 S HN 0.583 nan 8.310 nan 0.000 0.434 510 V N 1.853 121.804 119.914 0.061 0.000 2.490 510 V HA -0.010 4.110 4.120 -0.001 0.000 0.250 510 V C 2.542 178.656 176.094 0.033 0.000 1.061 510 V CA 2.015 64.344 62.300 0.048 0.000 1.064 510 V CB -1.043 30.810 31.823 0.050 0.000 0.670 510 V HN 0.591 nan 8.190 nan 0.000 0.461 511 A N 0.064 122.902 122.820 0.031 0.000 1.902 511 A HA -0.021 4.299 4.320 -0.001 0.000 0.217 511 A C 2.379 179.974 177.584 0.019 0.000 1.181 511 A CA 1.812 53.863 52.037 0.023 0.000 0.623 511 A CB -1.407 17.605 19.000 0.020 0.000 0.818 511 A HN 0.643 nan 8.150 nan 0.000 0.443 512 G N -0.256 108.555 108.800 0.017 0.000 2.422 512 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.218 512 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.218 512 G C 1.549 176.458 174.900 0.016 0.000 1.146 512 G CA 1.014 46.122 45.100 0.013 0.000 0.769 512 G HN 0.427 nan 8.290 nan 0.000 0.547 513 L N -0.341 120.893 121.223 0.019 0.000 2.056 513 L HA -0.022 4.318 4.340 -0.001 0.000 0.207 513 L C 3.111 179.993 176.870 0.020 0.000 1.078 513 L CA 0.988 55.840 54.840 0.020 0.000 0.749 513 L CB -0.333 41.740 42.059 0.023 0.000 0.901 513 L HN 0.238 nan 8.230 nan 0.000 0.433 514 M N -0.507 119.106 119.600 0.021 0.000 2.132 514 M HA -0.207 4.273 4.480 -0.001 0.000 0.263 514 M C 2.288 178.600 176.300 0.019 0.000 1.065 514 M CA 1.785 57.097 55.300 0.021 0.000 1.122 514 M CB -0.325 32.287 32.600 0.021 0.000 1.365 514 M HN 0.193 nan 8.290 nan 0.000 0.411 515 I N 0.044 120.624 120.570 0.017 0.000 2.423 515 I HA -0.214 3.956 4.170 -0.001 0.000 0.254 515 I C 1.608 177.735 176.117 0.017 0.000 1.151 515 I CA 1.396 62.705 61.300 0.016 0.000 1.421 515 I CB -0.611 37.397 38.000 0.013 0.000 1.079 515 I HN 0.398 nan 8.210 nan 0.000 0.431 516 T N -3.027 111.538 114.554 0.018 0.000 3.258 516 T HA 0.191 4.541 4.350 -0.001 0.000 0.263 516 T C 0.366 175.080 174.700 0.025 0.000 0.983 516 T CA -0.358 61.754 62.100 0.020 0.000 0.907 516 T CB -0.310 68.568 68.868 0.017 0.000 1.096 516 T HN -0.081 nan 8.240 nan 0.000 0.556 517 T N 1.891 116.461 114.554 0.026 0.000 2.794 517 T HA 0.391 4.741 4.350 -0.001 0.000 0.280 517 T C 0.455 175.177 174.700 0.037 0.000 0.987 517 T CA -0.602 61.515 62.100 0.029 0.000 0.993 517 T CB 1.821 70.704 68.868 0.024 0.000 0.939 517 T HN 0.091 nan 8.240 nan 0.000 0.449 518 E N 0.482 120.713 120.200 0.052 0.000 2.514 518 E HA 0.185 4.535 4.350 -0.001 0.000 0.215 518 E C -0.007 176.661 176.600 0.114 0.000 0.946 518 E CA 0.101 56.555 56.400 0.091 0.000 1.038 518 E CB 0.814 30.582 29.700 0.114 0.000 1.069 518 E HN 0.564 nan 8.360 nan 0.000 0.503 519 C N 0.635 119.949 119.300 0.023 0.000 2.880 519 C HA 0.682 5.142 4.460 -0.001 0.000 0.320 519 C C -1.333 173.584 174.990 -0.121 0.000 1.176 519 C CA -0.581 58.347 59.018 -0.150 0.000 1.390 519 C CB 0.516 28.167 27.740 -0.149 0.000 1.846 519 C HN 0.118 nan 8.230 nan 0.000 0.478 520 M N 4.995 124.501 119.600 -0.157 0.000 2.393 520 M HA 0.603 5.082 4.480 -0.001 0.000 0.299 520 M C -1.166 175.184 176.300 0.084 0.000 1.103 520 M CA -0.574 54.746 55.300 0.034 0.000 0.910 520 M CB 2.146 34.880 32.600 0.224 0.000 1.659 520 M HN 0.385 nan 8.290 nan 0.000 0.445 521 V N 1.326 121.262 119.914 0.037 0.000 2.531 521 V HA 0.771 4.891 4.120 -0.001 0.000 0.301 521 V C -0.366 175.678 176.094 -0.084 0.000 1.034 521 V CA -0.418 61.881 62.300 -0.001 0.000 0.865 521 V CB 2.000 33.805 31.823 -0.031 0.000 0.995 521 V HN 0.948 nan 8.190 nan 0.000 0.424 522 T N 2.201 116.662 114.554 -0.154 0.000 2.843 522 T HA 0.427 4.776 4.350 -0.001 0.000 0.302 522 T C -1.154 173.441 174.700 -0.174 0.000 1.232 522 T CA -0.550 61.400 62.100 -0.251 0.000 1.009 522 T CB 1.817 70.362 68.868 -0.539 0.000 1.254 522 T HN 0.695 nan 8.240 nan 0.000 0.504 523 D N 1.475 121.787 120.400 -0.146 0.000 2.382 523 D HA 0.345 4.985 4.640 -0.001 0.000 0.240 523 D C -0.127 176.120 176.300 -0.088 0.000 1.146 523 D CA -0.174 53.771 54.000 -0.091 0.000 0.897 523 D CB 0.366 41.122 40.800 -0.074 0.000 1.197 523 D HN 0.193 nan 8.370 nan 0.000 0.432 524 L N 3.693 124.891 121.223 -0.043 0.000 2.416 524 L HA 0.161 4.501 4.340 -0.001 0.000 0.272 524 L C -1.172 175.681 176.870 -0.028 0.000 1.161 524 L CA -1.327 53.501 54.840 -0.020 0.000 0.845 524 L CB 0.483 42.542 42.059 0.001 0.000 1.119 524 L HN 0.419 nan 8.230 nan 0.000 0.464 525 P HA -0.139 nan 4.420 nan 0.000 0.229 525 P C -0.052 177.241 177.300 -0.013 0.000 1.150 525 P CA 1.054 64.142 63.100 -0.020 0.000 0.765 525 P CB 0.144 31.841 31.700 -0.005 0.000 0.783 526 K N 0.000 120.395 120.400 -0.008 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 526 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 526 K CB 0.000 32.500 32.500 0.000 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543