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 1aon_1_C DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.578 177.584 -0.011 0.000 1.274 2 A CA 0.000 52.029 52.037 -0.013 0.000 0.836 2 A CB 0.000 18.989 19.000 -0.019 0.000 0.831 3 A N 1.437 124.253 122.820 -0.006 0.000 2.540 3 A HA 0.514 4.834 4.320 0.000 0.000 0.239 3 A C 0.370 177.953 177.584 -0.003 0.000 1.061 3 A CA 0.427 52.465 52.037 0.001 0.000 0.758 3 A CB -0.100 18.904 19.000 0.006 0.000 0.991 3 A HN 0.639 nan 8.150 nan 0.000 0.502 4 K N 0.773 121.176 120.400 0.005 0.000 2.267 4 K HA 0.513 4.833 4.320 0.000 0.000 0.236 4 K C -1.075 175.544 176.600 0.032 0.000 1.030 4 K CA -0.601 55.687 56.287 0.002 0.000 0.930 4 K CB 1.016 33.517 32.500 0.002 0.000 1.182 4 K HN 0.702 nan 8.250 nan 0.000 0.474 5 D N 0.952 121.382 120.400 0.051 0.000 2.402 5 D HA 0.201 4.841 4.640 0.000 0.000 0.252 5 D C -1.207 175.263 176.300 0.283 0.000 1.294 5 D CA -0.547 53.544 54.000 0.152 0.000 0.948 5 D CB 0.780 41.671 40.800 0.152 0.000 1.202 5 D HN 0.257 nan 8.370 nan 0.000 0.561 6 V N 1.104 121.130 119.914 0.186 0.000 2.509 6 V HA 0.685 4.805 4.120 0.000 0.000 0.284 6 V C -0.335 175.776 176.094 0.028 0.000 1.047 6 V CA -0.358 61.990 62.300 0.080 0.000 0.952 6 V CB 1.398 33.182 31.823 -0.066 0.000 0.988 6 V HN 0.336 nan 8.190 nan 0.000 0.469 7 K N 4.130 124.423 120.400 -0.179 0.000 2.443 7 K HA 0.659 4.979 4.320 0.000 0.000 0.252 7 K C -1.616 174.847 176.600 -0.227 0.000 0.933 7 K CA -0.334 55.821 56.287 -0.221 0.000 0.792 7 K CB 2.131 34.229 32.500 -0.670 0.000 1.185 7 K HN 0.660 nan 8.250 nan 0.000 0.425 8 F N 0.288 120.175 119.950 -0.106 0.000 2.518 8 F HA 0.505 5.032 4.527 0.000 0.000 0.338 8 F C 1.522 177.277 175.800 -0.075 0.000 1.065 8 F CA -0.120 57.839 58.000 -0.068 0.000 1.012 8 F CB 0.497 39.473 39.000 -0.040 0.000 1.297 8 F HN 0.791 nan 8.300 nan 0.000 0.489 9 G N 1.178 110.085 108.800 0.178 0.000 2.551 9 G HA2 -0.500 3.460 3.960 0.000 0.000 0.383 9 G HA3 -0.500 3.460 3.960 0.000 0.000 0.383 9 G C 1.023 175.935 174.900 0.022 0.000 1.370 9 G CA 1.080 46.225 45.100 0.075 0.000 0.940 9 G HN 0.941 nan 8.290 nan 0.000 0.524 10 N N 0.239 118.945 118.700 0.009 0.000 2.073 10 N HA -0.196 4.544 4.740 0.000 0.000 0.199 10 N C 1.746 177.239 175.510 -0.028 0.000 1.023 10 N CA 2.876 55.921 53.050 -0.008 0.000 0.880 10 N CB -0.379 38.103 38.487 -0.008 0.000 1.052 10 N HN 0.584 nan 8.380 nan 0.000 0.449 11 D N -0.038 120.339 120.400 -0.037 0.000 2.156 11 D HA -0.230 4.410 4.640 0.000 0.000 0.190 11 D C 1.936 178.161 176.300 -0.125 0.000 0.998 11 D CA 1.988 55.943 54.000 -0.076 0.000 0.842 11 D CB -1.132 39.615 40.800 -0.088 0.000 0.974 11 D HN 0.474 nan 8.370 nan 0.000 0.447 12 A N 1.167 123.888 122.820 -0.166 0.000 1.881 12 A HA -0.322 3.998 4.320 0.000 0.000 0.219 12 A C 2.181 179.704 177.584 -0.103 0.000 1.215 12 A CA 2.532 54.434 52.037 -0.225 0.000 0.648 12 A CB -0.777 18.114 19.000 -0.181 0.000 0.832 12 A HN 0.195 nan 8.150 nan 0.000 0.455 13 R N -0.965 119.504 120.500 -0.052 0.000 2.115 13 R HA -0.171 4.169 4.340 0.000 0.000 0.239 13 R C 2.113 178.404 176.300 -0.016 0.000 1.133 13 R CA 1.830 57.918 56.100 -0.021 0.000 0.935 13 R CB -1.094 29.200 30.300 -0.010 0.000 0.853 13 R HN 0.419 nan 8.270 nan 0.000 0.433 14 V N 1.938 121.839 119.914 -0.023 0.000 2.220 14 V HA -0.356 3.764 4.120 0.000 0.000 0.250 14 V C 2.442 178.534 176.094 -0.005 0.000 1.056 14 V CA 1.941 64.232 62.300 -0.014 0.000 1.016 14 V CB -0.539 31.272 31.823 -0.020 0.000 0.639 14 V HN 0.328 nan 8.190 nan 0.000 0.446 15 K N -0.628 119.763 120.400 -0.016 0.000 2.034 15 K HA -0.280 4.040 4.320 0.000 0.000 0.214 15 K C 2.169 178.799 176.600 0.049 0.000 1.051 15 K CA 2.366 58.666 56.287 0.022 0.000 0.931 15 K CB -0.756 31.753 32.500 0.016 0.000 0.715 15 K HN 0.514 nan 8.250 nan 0.000 0.446 16 M N 0.697 120.323 119.600 0.043 0.000 2.108 16 M HA -0.233 4.247 4.480 0.000 0.000 0.257 16 M C 2.140 178.461 176.300 0.035 0.000 1.071 16 M CA 1.500 56.831 55.300 0.052 0.000 1.093 16 M CB -0.123 32.500 32.600 0.038 0.000 1.345 16 M HN 0.117 nan 8.290 nan 0.000 0.403 17 L N 0.564 121.800 121.223 0.022 0.000 2.056 17 L HA -0.148 4.192 4.340 0.000 0.000 0.207 17 L C 2.298 179.179 176.870 0.018 0.000 1.078 17 L CA 1.822 56.672 54.840 0.017 0.000 0.749 17 L CB -0.673 41.393 42.059 0.010 0.000 0.901 17 L HN 0.262 nan 8.230 nan 0.000 0.433 18 R N -0.404 120.108 120.500 0.020 0.000 2.091 18 R HA -0.119 4.221 4.340 0.000 0.000 0.238 18 R C 2.223 178.537 176.300 0.023 0.000 1.136 18 R CA 1.200 57.312 56.100 0.020 0.000 0.959 18 R CB -1.214 29.100 30.300 0.023 0.000 0.856 18 R HN 0.570 nan 8.270 nan 0.000 0.437 19 G N 1.180 109.999 108.800 0.031 0.000 2.480 19 G HA2 -0.264 3.696 3.960 0.000 0.000 0.216 19 G HA3 -0.264 3.696 3.960 0.000 0.000 0.216 19 G C 1.538 176.450 174.900 0.021 0.000 1.200 19 G CA 1.191 46.309 45.100 0.030 0.000 0.782 19 G HN 0.136 nan 8.290 nan 0.000 0.554 20 V N 1.637 121.564 119.914 0.020 0.000 2.250 20 V HA -0.338 3.782 4.120 0.000 0.000 0.250 20 V C 2.530 178.631 176.094 0.012 0.000 1.060 20 V CA 2.408 64.717 62.300 0.015 0.000 1.030 20 V CB -1.068 30.764 31.823 0.015 0.000 0.643 20 V HN 0.501 nan 8.190 nan 0.000 0.445 21 N N 0.009 118.716 118.700 0.012 0.000 2.037 21 N HA -0.209 4.531 4.740 0.000 0.000 0.196 21 N C 1.755 177.270 175.510 0.007 0.000 1.034 21 N CA 1.716 54.771 53.050 0.009 0.000 0.861 21 N CB -0.394 38.098 38.487 0.008 0.000 1.039 21 N HN 0.343 nan 8.380 nan 0.000 0.427 22 V N 2.120 122.039 119.914 0.008 0.000 2.231 22 V HA -0.255 3.865 4.120 0.000 0.000 0.250 22 V C 2.302 178.399 176.094 0.004 0.000 1.058 22 V CA 1.512 63.816 62.300 0.006 0.000 1.022 22 V CB -0.837 30.991 31.823 0.008 0.000 0.640 22 V HN 0.385 nan 8.190 nan 0.000 0.445 23 L N 0.632 121.858 121.223 0.005 0.000 1.944 23 L HA -0.219 4.121 4.340 0.000 0.000 0.218 23 L C 2.609 179.481 176.870 0.003 0.000 1.075 23 L CA 2.998 57.840 54.840 0.003 0.000 0.767 23 L CB -1.736 40.325 42.059 0.004 0.000 0.890 23 L HN 0.353 nan 8.230 nan 0.000 0.434 24 A N 0.185 123.007 122.820 0.005 0.000 1.873 24 A HA -0.355 3.965 4.320 0.000 0.000 0.219 24 A C 1.900 179.486 177.584 0.003 0.000 1.269 24 A CA 2.610 54.650 52.037 0.005 0.000 0.671 24 A CB -1.362 17.642 19.000 0.006 0.000 0.842 24 A HN 0.646 nan 8.150 nan 0.000 0.460 25 D N -0.276 120.126 120.400 0.002 0.000 2.170 25 D HA -0.150 4.490 4.640 0.000 0.000 0.193 25 D C 2.020 178.320 176.300 -0.001 0.000 1.004 25 D CA 1.893 55.894 54.000 0.001 0.000 0.860 25 D CB -0.535 40.265 40.800 0.001 0.000 0.931 25 D HN 0.538 nan 8.370 nan 0.000 0.448 26 A N -0.078 122.741 122.820 -0.002 0.000 2.119 26 A HA -0.011 4.309 4.320 0.000 0.000 0.217 26 A C 2.262 179.843 177.584 -0.004 0.000 1.153 26 A CA 0.698 52.733 52.037 -0.004 0.000 0.692 26 A CB 0.010 19.007 19.000 -0.005 0.000 0.799 26 A HN 0.186 nan 8.150 nan 0.000 0.458 27 V N -0.568 119.345 119.914 -0.002 0.000 3.125 27 V HA -0.080 4.040 4.120 0.000 0.000 0.249 27 V C 2.106 178.199 176.094 -0.002 0.000 1.113 27 V CA 1.173 63.472 62.300 -0.003 0.000 1.106 27 V CB -0.279 31.544 31.823 -0.001 0.000 0.768 27 V HN 0.462 nan 8.190 nan 0.000 0.468 28 K N 1.166 121.565 120.400 -0.001 0.000 2.001 28 K HA -0.211 4.109 4.320 0.000 0.000 0.214 28 K C 2.184 178.783 176.600 -0.002 0.000 1.050 28 K CA 2.065 58.351 56.287 -0.001 0.000 0.934 28 K CB -0.949 31.550 32.500 -0.001 0.000 0.718 28 K HN 0.482 nan 8.250 nan 0.000 0.443 29 V N 0.564 120.476 119.914 -0.003 0.000 2.467 29 V HA -0.275 3.845 4.120 0.000 0.000 0.266 29 V C 1.797 177.888 176.094 -0.004 0.000 1.124 29 V CA 2.398 64.696 62.300 -0.004 0.000 1.121 29 V CB -1.828 29.992 31.823 -0.005 0.000 0.695 29 V HN 0.522 nan 8.190 nan 0.000 0.466 30 T N -2.194 112.358 114.554 -0.005 0.000 3.260 30 T HA 0.579 4.929 4.350 0.000 0.000 0.254 30 T C -0.301 174.397 174.700 -0.004 0.000 0.951 30 T CA -0.311 61.786 62.100 -0.005 0.000 0.918 30 T CB 0.012 68.876 68.868 -0.007 0.000 1.098 30 T HN 0.433 nan 8.240 nan 0.000 0.563 31 L N 1.695 122.916 121.223 -0.002 0.000 2.307 31 L HA 0.785 5.125 4.340 0.000 0.000 0.284 31 L C 0.452 177.322 176.870 -0.000 0.000 1.023 31 L CA 0.988 55.827 54.840 -0.001 0.000 0.810 31 L CB 0.746 42.805 42.059 0.001 0.000 1.231 31 L HN 0.675 nan 8.230 nan 0.000 0.423 32 G N 4.781 113.581 108.800 -0.001 0.000 2.757 32 G HA2 -0.154 3.806 3.960 0.000 0.000 0.638 32 G HA3 -0.154 3.806 3.960 0.000 0.000 0.638 32 G C -2.245 172.652 174.900 -0.005 0.000 1.344 32 G CA -0.289 44.810 45.100 -0.001 0.000 0.855 32 G HN 0.578 nan 8.290 nan 0.000 0.537 33 P HA -0.081 nan 4.420 nan 0.000 0.216 33 P C 1.105 178.399 177.300 -0.009 0.000 1.150 33 P CA 1.631 64.724 63.100 -0.012 0.000 0.837 33 P CB 0.041 31.728 31.700 -0.021 0.000 0.786 34 K N 0.283 120.679 120.400 -0.005 0.000 2.504 34 K HA 0.188 4.508 4.320 0.000 0.000 0.199 34 K C 1.210 177.808 176.600 -0.002 0.000 1.028 34 K CA -0.294 55.992 56.287 -0.003 0.000 1.164 34 K CB -0.140 32.362 32.500 0.004 0.000 0.877 34 K HN 0.120 nan 8.250 nan 0.000 0.508 35 G N 1.076 109.874 108.800 -0.003 0.000 2.594 35 G HA2 0.112 4.072 3.960 0.000 0.000 0.243 35 G HA3 0.112 4.072 3.960 0.000 0.000 0.243 35 G C -0.167 174.730 174.900 -0.005 0.000 1.229 35 G CA -0.368 44.730 45.100 -0.004 0.000 0.843 35 G HN 0.207 nan 8.290 nan 0.000 0.578 36 R N 0.028 120.524 120.500 -0.005 0.000 2.943 36 R HA 0.367 4.707 4.340 0.000 0.000 0.246 36 R C -0.462 175.834 176.300 -0.008 0.000 1.201 36 R CA -0.995 55.102 56.100 -0.006 0.000 1.056 36 R CB 1.104 31.400 30.300 -0.006 0.000 1.243 36 R HN 0.475 nan 8.270 nan 0.000 0.498 37 N N -0.330 118.364 118.700 -0.009 0.000 2.477 37 N HA 0.464 5.204 4.740 0.000 0.000 0.284 37 N C -1.006 174.497 175.510 -0.012 0.000 1.182 37 N CA -0.434 52.610 53.050 -0.010 0.000 0.949 37 N CB 1.891 40.371 38.487 -0.011 0.000 1.204 37 N HN 0.111 nan 8.380 nan 0.000 0.526 38 V N 0.475 120.381 119.914 -0.014 0.000 2.914 38 V HA 0.505 4.625 4.120 0.000 0.000 0.314 38 V C -0.318 175.764 176.094 -0.021 0.000 1.084 38 V CA -0.818 61.472 62.300 -0.016 0.000 0.963 38 V CB 2.330 34.145 31.823 -0.015 0.000 1.025 38 V HN 0.283 nan 8.190 nan 0.000 0.432 39 V N 4.260 124.159 119.914 -0.025 0.000 2.448 39 V HA 0.499 4.619 4.120 0.000 0.000 0.295 39 V C -0.446 175.623 176.094 -0.042 0.000 1.025 39 V CA -0.491 61.789 62.300 -0.033 0.000 0.859 39 V CB 1.659 33.461 31.823 -0.035 0.000 0.988 39 V HN 0.611 nan 8.190 nan 0.000 0.431 40 L N 3.605 124.797 121.223 -0.052 0.000 2.272 40 L HA 0.522 4.862 4.340 0.000 0.000 0.289 40 L C -0.018 176.784 176.870 -0.113 0.000 1.032 40 L CA -0.446 54.353 54.840 -0.069 0.000 0.810 40 L CB 1.518 43.545 42.059 -0.053 0.000 1.205 40 L HN 0.612 nan 8.230 nan 0.000 0.422 41 D N 3.247 123.567 120.400 -0.133 0.000 2.358 41 D HA 0.325 4.965 4.640 0.000 0.000 0.244 41 D C -0.778 175.316 176.300 -0.343 0.000 1.163 41 D CA 0.092 53.982 54.000 -0.183 0.000 0.945 41 D CB 0.866 41.582 40.800 -0.140 0.000 1.152 41 D HN 0.380 nan 8.370 nan 0.000 0.451 42 K N 0.458 120.586 120.400 -0.454 0.000 2.589 42 K HA 0.155 4.476 4.320 0.000 0.000 0.253 42 K C 0.340 176.557 176.600 -0.639 0.000 0.974 42 K CA -0.427 55.267 56.287 -0.988 0.000 0.835 42 K CB 1.710 33.556 32.500 -1.091 0.000 1.272 42 K HN 0.432 nan 8.250 nan 0.000 0.444 43 S N 2.447 117.845 115.700 -0.503 0.000 2.382 43 S HA -0.146 4.324 4.470 0.000 0.000 0.228 43 S C 1.639 176.321 174.600 0.136 0.000 1.027 43 S CA 0.847 59.028 58.200 -0.032 0.000 0.991 43 S CB -0.519 62.774 63.200 0.155 0.000 0.823 43 S HN 0.468 nan 8.310 nan 0.000 0.469 44 F N 3.036 122.981 119.950 -0.008 0.000 2.123 44 F HA 0.157 4.684 4.527 0.000 0.000 0.302 44 F C 2.244 178.040 175.800 -0.006 0.000 1.251 44 F CA 0.409 58.404 58.000 -0.007 0.000 1.236 44 F CB -1.770 37.225 39.000 -0.009 0.000 0.927 44 F HN 0.457 nan 8.300 nan 0.000 0.554 45 G N -1.415 107.493 108.800 0.180 0.000 3.341 45 G HA2 0.591 4.551 3.960 0.000 0.000 0.177 45 G HA3 0.591 4.551 3.960 0.000 0.000 0.177 45 G C -0.760 174.133 174.900 -0.011 0.000 1.236 45 G CA -0.032 45.109 45.100 0.068 0.000 0.888 45 G HN 0.596 nan 8.290 nan 0.000 0.644 46 A N 0.191 123.004 122.820 -0.012 0.000 2.304 46 A HA 0.705 5.025 4.320 0.000 0.000 0.271 46 A C -2.204 175.339 177.584 -0.068 0.000 1.091 46 A CA -0.815 51.200 52.037 -0.036 0.000 0.812 46 A CB -0.046 18.943 19.000 -0.018 0.000 1.056 46 A HN 0.365 nan 8.150 nan 0.000 0.489 47 P HA 0.216 nan 4.420 nan 0.000 0.269 47 P C -0.246 177.015 177.300 -0.065 0.000 1.217 47 P CA 0.207 63.250 63.100 -0.096 0.000 0.783 47 P CB 0.463 32.116 31.700 -0.079 0.000 0.898 48 T N 1.990 116.505 114.554 -0.067 0.000 2.824 48 T HA 0.545 4.895 4.350 0.000 0.000 0.280 48 T C -0.020 174.661 174.700 -0.032 0.000 0.995 48 T CA -0.304 61.773 62.100 -0.038 0.000 1.009 48 T CB 0.131 68.982 68.868 -0.029 0.000 0.955 48 T HN 0.160 nan 8.240 nan 0.000 0.452 49 I N 2.968 123.525 120.570 -0.021 0.000 2.390 49 I HA 0.417 4.587 4.170 0.000 0.000 0.283 49 I C 0.340 176.449 176.117 -0.013 0.000 1.016 49 I CA -0.475 60.814 61.300 -0.018 0.000 1.151 49 I CB 1.508 39.499 38.000 -0.015 0.000 1.293 49 I HN 0.481 nan 8.210 nan 0.000 0.458 50 T N 3.850 118.396 114.554 -0.014 0.000 2.864 50 T HA 0.390 4.740 4.350 0.000 0.000 0.289 50 T C 0.066 174.759 174.700 -0.012 0.000 1.082 50 T CA -0.478 61.615 62.100 -0.012 0.000 1.009 50 T CB 2.185 71.046 68.868 -0.011 0.000 1.234 50 T HN 0.690 nan 8.240 nan 0.000 0.526 51 K N 0.672 121.065 120.400 -0.011 0.000 2.483 51 K HA 0.203 4.523 4.320 0.000 0.000 0.206 51 K C -0.446 176.147 176.600 -0.012 0.000 1.086 51 K CA -0.236 56.044 56.287 -0.011 0.000 1.052 51 K CB 0.433 32.928 32.500 -0.009 0.000 0.904 51 K HN 0.471 nan 8.250 nan 0.000 0.557 52 D N 0.447 120.838 120.400 -0.015 0.000 2.374 52 D HA 0.102 4.742 4.640 0.000 0.000 0.240 52 D C 1.177 177.467 176.300 -0.016 0.000 1.229 52 D CA 0.139 54.128 54.000 -0.019 0.000 0.895 52 D CB 1.115 41.901 40.800 -0.024 0.000 1.046 52 D HN 0.329 nan 8.370 nan 0.000 0.498 53 G N 2.991 111.783 108.800 -0.014 0.000 2.624 53 G HA2 -0.324 3.636 3.960 0.000 0.000 0.221 53 G HA3 -0.324 3.636 3.960 0.000 0.000 0.221 53 G C 1.547 176.440 174.900 -0.011 0.000 1.169 53 G CA 1.030 46.124 45.100 -0.010 0.000 0.771 53 G HN 0.497 nan 8.290 nan 0.000 0.598 54 V N 0.492 120.397 119.914 -0.016 0.000 2.407 54 V HA -0.161 3.959 4.120 0.000 0.000 0.248 54 V C 2.982 179.067 176.094 -0.016 0.000 1.055 54 V CA 2.857 65.146 62.300 -0.018 0.000 1.049 54 V CB -0.492 31.316 31.823 -0.026 0.000 0.662 54 V HN 0.378 nan 8.190 nan 0.000 0.455 55 S N -0.402 115.288 115.700 -0.016 0.000 2.365 55 S HA -0.202 4.268 4.470 0.000 0.000 0.225 55 S C 1.814 176.410 174.600 -0.006 0.000 1.039 55 S CA 1.787 59.982 58.200 -0.010 0.000 1.033 55 S CB -0.339 62.855 63.200 -0.010 0.000 0.887 55 S HN 0.508 nan 8.310 nan 0.000 0.447 56 V N 1.962 121.871 119.914 -0.009 0.000 2.223 56 V HA -0.216 3.904 4.120 0.000 0.000 0.244 56 V C 2.602 178.692 176.094 -0.006 0.000 1.045 56 V CA 1.665 63.960 62.300 -0.008 0.000 1.000 56 V CB -1.462 30.355 31.823 -0.009 0.000 0.635 56 V HN 0.546 nan 8.190 nan 0.000 0.445 57 A N 0.459 123.275 122.820 -0.006 0.000 1.883 57 A HA -0.423 3.897 4.320 0.000 0.000 0.226 57 A C 2.214 179.795 177.584 -0.005 0.000 1.512 57 A CA 3.242 55.276 52.037 -0.006 0.000 0.738 57 A CB -1.036 17.959 19.000 -0.008 0.000 0.848 57 A HN 0.577 nan 8.150 nan 0.000 0.477 58 R N -0.856 119.641 120.500 -0.005 0.000 2.165 58 R HA -0.207 4.133 4.340 0.000 0.000 0.254 58 R C 1.824 178.127 176.300 0.005 0.000 1.153 58 R CA 1.636 57.735 56.100 -0.001 0.000 0.971 58 R CB -0.544 29.757 30.300 0.001 0.000 0.878 58 R HN 0.599 nan 8.270 nan 0.000 0.449 59 E N 0.375 120.579 120.200 0.006 0.000 2.472 59 E HA -0.047 4.303 4.350 0.000 0.000 0.200 59 E C 0.343 176.944 176.600 0.001 0.000 1.046 59 E CA 0.468 56.872 56.400 0.007 0.000 0.871 59 E CB 0.063 29.762 29.700 -0.001 0.000 0.806 59 E HN 0.253 nan 8.360 nan 0.000 0.533 60 I N 1.710 122.279 120.570 -0.001 0.000 2.352 60 I HA 0.190 4.360 4.170 0.000 0.000 0.290 60 I C 0.348 176.464 176.117 -0.003 0.000 1.036 60 I CA -0.122 61.176 61.300 -0.003 0.000 1.336 60 I CB 0.430 38.428 38.000 -0.003 0.000 1.407 60 I HN -0.099 nan 8.210 nan 0.000 0.497 61 E N 5.938 126.136 120.200 -0.003 0.000 2.263 61 E HA 0.500 4.850 4.350 0.000 0.000 0.268 61 E C -1.741 174.856 176.600 -0.005 0.000 0.884 61 E CA -0.701 55.696 56.400 -0.005 0.000 0.766 61 E CB 1.971 31.668 29.700 -0.005 0.000 1.196 61 E HN 0.245 nan 8.360 nan 0.000 0.416 62 L N 3.238 124.458 121.223 -0.006 0.000 2.344 62 L HA 0.303 4.643 4.340 0.000 0.000 0.272 62 L C 1.393 178.258 176.870 -0.008 0.000 1.035 62 L CA 0.140 54.978 54.840 -0.003 0.000 0.807 62 L CB 1.312 43.375 42.059 0.006 0.000 1.237 62 L HN 0.768 nan 8.230 nan 0.000 0.442 63 E N 0.237 120.435 120.200 -0.004 0.000 2.072 63 E HA -0.154 4.196 4.350 0.000 0.000 0.190 63 E C -0.226 176.368 176.600 -0.010 0.000 0.982 63 E CA 0.443 56.839 56.400 -0.008 0.000 0.803 63 E CB 0.274 29.973 29.700 -0.002 0.000 0.755 63 E HN 0.757 nan 8.360 nan 0.000 0.453 64 D N 0.607 121.012 120.400 0.009 0.000 2.412 64 D HA -0.056 4.584 4.640 0.000 0.000 0.257 64 D C 0.957 177.248 176.300 -0.015 0.000 1.217 64 D CA 0.024 54.040 54.000 0.026 0.000 0.897 64 D CB 0.712 41.555 40.800 0.072 0.000 1.132 64 D HN -0.108 nan 8.370 nan 0.000 0.493 65 K N 3.282 123.621 120.400 -0.102 0.000 2.074 65 K HA -0.179 4.141 4.320 0.000 0.000 0.209 65 K C 1.613 178.057 176.600 -0.260 0.000 1.048 65 K CA 1.337 57.474 56.287 -0.250 0.000 0.926 65 K CB -0.354 31.877 32.500 -0.449 0.000 0.713 65 K HN 0.538 nan 8.250 nan 0.000 0.444 66 F N 1.270 121.214 119.950 -0.010 0.000 2.187 66 F HA -0.025 4.502 4.527 0.000 0.000 0.295 66 F C 2.397 178.192 175.800 -0.009 0.000 1.091 66 F CA 0.867 58.860 58.000 -0.012 0.000 1.308 66 F CB -0.495 38.499 39.000 -0.010 0.000 1.030 66 F HN 0.098 nan 8.300 nan 0.000 0.487 67 E N 0.127 120.436 120.200 0.181 0.000 2.110 67 E HA -0.262 4.088 4.350 0.000 0.000 0.193 67 E C 1.879 178.513 176.600 0.057 0.000 0.988 67 E CA 1.335 57.794 56.400 0.099 0.000 0.804 67 E CB -0.296 29.447 29.700 0.072 0.000 0.745 67 E HN 0.317 nan 8.360 nan 0.000 0.458 68 N N 0.551 119.270 118.700 0.031 0.000 2.043 68 N HA -0.186 4.554 4.740 0.000 0.000 0.193 68 N C 1.763 177.275 175.510 0.003 0.000 1.037 68 N CA 1.540 54.591 53.050 0.002 0.000 0.851 68 N CB -0.028 38.443 38.487 -0.026 0.000 1.027 68 N HN 0.053 nan 8.380 nan 0.000 0.422 69 M N -0.395 119.206 119.600 0.002 0.000 2.088 69 M HA -0.152 4.328 4.480 0.000 0.000 0.256 69 M C 2.272 178.586 176.300 0.023 0.000 1.071 69 M CA 2.038 57.342 55.300 0.008 0.000 1.097 69 M CB -1.035 31.582 32.600 0.028 0.000 1.315 69 M HN 0.393 nan 8.290 nan 0.000 0.406 70 G N -0.268 108.558 108.800 0.044 0.000 2.469 70 G HA2 -0.202 3.758 3.960 0.000 0.000 0.219 70 G HA3 -0.202 3.758 3.960 0.000 0.000 0.219 70 G C 1.599 176.511 174.900 0.021 0.000 1.150 70 G CA 1.271 46.392 45.100 0.035 0.000 0.763 70 G HN 0.588 nan 8.290 nan 0.000 0.561 71 A N -0.259 122.571 122.820 0.018 0.000 1.898 71 A HA -0.036 4.285 4.320 0.000 0.000 0.216 71 A C 2.355 179.941 177.584 0.003 0.000 1.181 71 A CA 1.828 53.870 52.037 0.010 0.000 0.620 71 A CB -0.360 18.645 19.000 0.008 0.000 0.819 71 A HN 0.303 nan 8.150 nan 0.000 0.442 72 Q N -0.790 119.010 119.800 -0.000 0.000 2.291 72 Q HA -0.099 4.241 4.340 0.000 0.000 0.206 72 Q C 1.985 177.981 176.000 -0.007 0.000 0.976 72 Q CA 1.255 57.053 55.803 -0.007 0.000 0.875 72 Q CB -0.337 28.393 28.738 -0.013 0.000 0.927 72 Q HN 0.784 nan 8.270 nan 0.000 0.450 73 M N -0.633 118.966 119.600 -0.001 0.000 2.240 73 M HA -0.103 4.377 4.480 0.000 0.000 0.257 73 M C 2.274 178.574 176.300 -0.000 0.000 1.107 73 M CA 0.990 56.289 55.300 -0.001 0.000 1.169 73 M CB -0.455 32.148 32.600 0.006 0.000 1.307 73 M HN 0.035 nan 8.290 nan 0.000 0.447 74 V N -0.118 119.799 119.914 0.006 0.000 2.370 74 V HA -0.327 3.793 4.120 0.000 0.000 0.252 74 V C 2.145 178.240 176.094 0.001 0.000 1.068 74 V CA 2.321 64.625 62.300 0.008 0.000 1.061 74 V CB -1.520 30.310 31.823 0.011 0.000 0.656 74 V HN 0.541 nan 8.190 nan 0.000 0.455 75 K N 0.700 121.098 120.400 -0.003 0.000 2.173 75 K HA -0.326 3.994 4.320 0.000 0.000 0.207 75 K C 2.255 178.843 176.600 -0.019 0.000 1.046 75 K CA 2.272 58.553 56.287 -0.009 0.000 0.929 75 K CB -0.249 32.244 32.500 -0.011 0.000 0.720 75 K HN 0.745 nan 8.250 nan 0.000 0.453 76 E N 0.185 120.371 120.200 -0.024 0.000 2.208 76 E HA -0.135 4.215 4.350 0.000 0.000 0.193 76 E C 1.894 178.460 176.600 -0.057 0.000 0.988 76 E CA 0.885 57.257 56.400 -0.046 0.000 0.828 76 E CB 0.105 29.776 29.700 -0.049 0.000 0.763 76 E HN 0.316 nan 8.360 nan 0.000 0.478 77 V N 0.239 120.141 119.914 -0.021 0.000 2.270 77 V HA -0.168 3.952 4.120 0.000 0.000 0.245 77 V C 2.256 178.355 176.094 0.009 0.000 1.043 77 V CA 2.069 64.374 62.300 0.009 0.000 1.014 77 V CB -0.678 31.178 31.823 0.055 0.000 0.645 77 V HN 0.305 nan 8.190 nan 0.000 0.447 78 A N -0.149 122.675 122.820 0.007 0.000 1.986 78 A HA -0.242 4.078 4.320 0.000 0.000 0.220 78 A C 2.585 180.160 177.584 -0.015 0.000 1.171 78 A CA 2.766 54.806 52.037 0.005 0.000 0.640 78 A CB -1.145 17.854 19.000 -0.001 0.000 0.811 78 A HN 0.782 nan 8.150 nan 0.000 0.451 79 S N -1.000 114.676 115.700 -0.039 0.000 2.329 79 S HA -0.144 4.326 4.470 0.000 0.000 0.215 79 S C 2.217 176.757 174.600 -0.101 0.000 1.031 79 S CA 1.511 59.674 58.200 -0.062 0.000 0.985 79 S CB -0.320 62.839 63.200 -0.067 0.000 0.917 79 S HN 0.394 nan 8.310 nan 0.000 0.441 80 K N 1.553 121.841 120.400 -0.188 0.000 2.074 80 K HA -0.031 4.289 4.320 0.000 0.000 0.209 80 K C 2.233 178.662 176.600 -0.285 0.000 1.048 80 K CA 1.562 57.619 56.287 -0.383 0.000 0.926 80 K CB -1.227 30.819 32.500 -0.757 0.000 0.713 80 K HN 0.443 nan 8.250 nan 0.000 0.444 81 A N 1.259 124.041 122.820 -0.063 0.000 1.948 81 A HA -0.237 4.083 4.320 0.000 0.000 0.220 81 A C 2.080 179.724 177.584 0.100 0.000 1.177 81 A CA 2.125 54.285 52.037 0.204 0.000 0.636 81 A CB -0.729 18.371 19.000 0.166 0.000 0.815 81 A HN 0.614 nan 8.150 nan 0.000 0.449 82 N N -0.939 117.769 118.700 0.014 0.000 2.216 82 N HA -0.140 4.600 4.740 0.000 0.000 0.183 82 N C 0.868 176.376 175.510 -0.003 0.000 1.017 82 N CA 1.067 54.111 53.050 -0.010 0.000 0.861 82 N CB -0.086 38.379 38.487 -0.037 0.000 0.986 82 N HN 0.436 nan 8.380 nan 0.000 0.428 83 D N 0.716 121.107 120.400 -0.016 0.000 2.183 83 D HA -0.074 4.566 4.640 0.000 0.000 0.203 83 D C 1.794 178.123 176.300 0.048 0.000 0.969 83 D CA 0.594 54.592 54.000 -0.004 0.000 0.842 83 D CB -0.089 40.682 40.800 -0.048 0.000 0.957 83 D HN 0.355 nan 8.370 nan 0.000 0.484 84 A N 1.034 123.911 122.820 0.095 0.000 1.841 84 A HA 0.155 4.475 4.320 0.000 0.000 0.214 84 A C 1.846 179.512 177.584 0.136 0.000 1.195 84 A CA 2.032 54.178 52.037 0.183 0.000 0.611 84 A CB -0.077 19.177 19.000 0.423 0.000 0.835 84 A HN 0.236 nan 8.150 nan 0.000 0.443 85 A N -2.393 120.500 122.820 0.120 0.000 2.543 85 A HA 0.491 4.811 4.320 0.000 0.000 0.279 85 A C 1.183 178.817 177.584 0.084 0.000 0.917 85 A CA 0.801 52.903 52.037 0.108 0.000 1.036 85 A CB -0.775 18.278 19.000 0.088 0.000 1.227 85 A HN 1.936 nan 8.150 nan 0.000 0.503 86 G N 0.257 109.074 108.800 0.027 0.000 2.450 86 G HA2 -0.099 3.861 3.960 0.000 0.000 0.302 86 G HA3 -0.099 3.861 3.960 0.000 0.000 0.302 86 G C -0.126 174.695 174.900 -0.132 0.000 0.957 86 G CA 1.190 46.204 45.100 -0.144 0.000 1.005 86 G HN 0.904 nan 8.290 nan 0.000 0.514 87 D N -2.665 117.713 120.400 -0.037 0.000 2.912 87 D HA 0.489 5.129 4.640 0.000 0.000 0.263 87 D C 0.833 177.138 176.300 0.009 0.000 1.152 87 D CA 1.147 55.135 54.000 -0.020 0.000 0.728 87 D CB 0.216 41.014 40.800 -0.005 0.000 1.337 87 D HN 1.308 nan 8.370 nan 0.000 0.435 88 G N 0.587 109.391 108.800 0.007 0.000 2.176 88 G HA2 -0.343 3.617 3.960 0.000 0.000 0.253 88 G HA3 -0.343 3.617 3.960 0.000 0.000 0.253 88 G C 1.132 176.045 174.900 0.021 0.000 0.979 88 G CA 1.650 46.760 45.100 0.016 0.000 0.641 88 G HN 1.073 nan 8.290 nan 0.000 0.530 89 T N -0.908 113.656 114.554 0.016 0.000 2.565 89 T HA -0.257 4.093 4.350 0.000 0.000 0.265 89 T C 2.241 176.949 174.700 0.015 0.000 1.082 89 T CA 2.945 65.055 62.100 0.017 0.000 1.173 89 T CB -1.365 67.502 68.868 -0.002 0.000 0.864 89 T HN 0.572 nan 8.240 nan 0.000 0.425 90 T N 2.039 116.597 114.554 0.006 0.000 2.597 90 T HA -0.189 4.161 4.350 0.000 0.000 0.267 90 T C 2.294 177.000 174.700 0.010 0.000 1.053 90 T CA 2.267 64.370 62.100 0.005 0.000 1.165 90 T CB -1.412 67.457 68.868 0.001 0.000 0.863 90 T HN 0.615 nan 8.240 nan 0.000 0.427 91 T N 2.254 116.814 114.554 0.011 0.000 2.624 91 T HA -0.176 4.174 4.350 0.000 0.000 0.268 91 T C 2.360 177.070 174.700 0.018 0.000 1.041 91 T CA 1.519 63.626 62.100 0.012 0.000 1.159 91 T CB -0.883 67.991 68.868 0.011 0.000 0.863 91 T HN 0.496 nan 8.240 nan 0.000 0.434 92 A N 1.588 124.425 122.820 0.028 0.000 1.869 92 A HA -0.236 4.084 4.320 0.000 0.000 0.218 92 A C 2.582 180.187 177.584 0.035 0.000 1.203 92 A CA 2.674 54.735 52.037 0.041 0.000 0.638 92 A CB -1.646 17.396 19.000 0.071 0.000 0.831 92 A HN 0.504 nan 8.150 nan 0.000 0.450 93 T N -0.107 114.465 114.554 0.029 0.000 2.620 93 T HA -0.237 4.113 4.350 0.000 0.000 0.267 93 T C 1.847 176.558 174.700 0.018 0.000 1.044 93 T CA 2.038 64.151 62.100 0.022 0.000 1.161 93 T CB -0.868 68.008 68.868 0.014 0.000 0.862 93 T HN 0.200 nan 8.240 nan 0.000 0.438 94 V N 1.581 121.504 119.914 0.014 0.000 2.250 94 V HA -0.241 3.879 4.120 0.000 0.000 0.250 94 V C 2.536 178.637 176.094 0.012 0.000 1.060 94 V CA 1.936 64.242 62.300 0.011 0.000 1.030 94 V CB -0.852 30.976 31.823 0.008 0.000 0.643 94 V HN 0.463 nan 8.190 nan 0.000 0.445 95 L N -0.285 120.946 121.223 0.014 0.000 2.042 95 L HA -0.223 4.117 4.340 0.000 0.000 0.210 95 L C 2.732 179.612 176.870 0.016 0.000 1.076 95 L CA 1.676 56.524 54.840 0.014 0.000 0.749 95 L CB -0.915 41.153 42.059 0.015 0.000 0.893 95 L HN 0.402 nan 8.230 nan 0.000 0.432 96 A N 0.101 122.933 122.820 0.021 0.000 1.841 96 A HA -0.333 3.987 4.320 0.000 0.000 0.216 96 A C 2.166 179.760 177.584 0.016 0.000 1.199 96 A CA 2.055 54.105 52.037 0.022 0.000 0.621 96 A CB -0.855 18.160 19.000 0.026 0.000 0.835 96 A HN 0.464 nan 8.150 nan 0.000 0.445 97 Q N 0.214 120.023 119.800 0.014 0.000 2.084 97 Q HA -0.262 4.078 4.340 0.000 0.000 0.215 97 Q C 1.933 177.939 176.000 0.010 0.000 1.020 97 Q CA 3.496 59.306 55.803 0.011 0.000 0.887 97 Q CB -0.964 27.780 28.738 0.009 0.000 0.975 97 Q HN 0.625 nan 8.270 nan 0.000 0.413 98 A N 0.257 123.083 122.820 0.009 0.000 1.851 98 A HA -0.165 4.155 4.320 0.000 0.000 0.216 98 A C 2.311 179.901 177.584 0.009 0.000 1.195 98 A CA 1.851 53.893 52.037 0.008 0.000 0.622 98 A CB -0.963 18.041 19.000 0.007 0.000 0.831 98 A HN 0.543 nan 8.150 nan 0.000 0.444 99 I N -0.238 120.338 120.570 0.011 0.000 2.118 99 I HA -0.307 3.863 4.170 0.000 0.000 0.241 99 I C 2.398 178.522 176.117 0.011 0.000 1.070 99 I CA 1.715 63.022 61.300 0.011 0.000 1.327 99 I CB -0.463 37.546 38.000 0.014 0.000 1.034 99 I HN 0.340 nan 8.210 nan 0.000 0.405 100 I N 0.285 120.862 120.570 0.012 0.000 2.208 100 I HA -0.295 3.875 4.170 0.000 0.000 0.245 100 I C 2.579 178.702 176.117 0.009 0.000 1.097 100 I CA 1.622 62.929 61.300 0.012 0.000 1.363 100 I CB -0.778 37.230 38.000 0.013 0.000 1.051 100 I HN 0.283 nan 8.210 nan 0.000 0.413 101 T N 0.388 114.947 114.554 0.008 0.000 2.580 101 T HA -0.200 4.150 4.350 0.000 0.000 0.265 101 T C 1.836 176.540 174.700 0.006 0.000 1.063 101 T CA 1.499 63.603 62.100 0.007 0.000 1.170 101 T CB -0.277 68.594 68.868 0.006 0.000 0.863 101 T HN 0.297 nan 8.240 nan 0.000 0.418 102 E N 0.776 120.980 120.200 0.006 0.000 2.038 102 E HA -0.096 4.254 4.350 0.000 0.000 0.195 102 E C 2.564 179.167 176.600 0.006 0.000 1.000 102 E CA 1.412 57.815 56.400 0.005 0.000 0.803 102 E CB -1.151 28.553 29.700 0.005 0.000 0.750 102 E HN 0.568 nan 8.360 nan 0.000 0.448 103 G N 1.860 110.665 108.800 0.007 0.000 2.553 103 G HA2 -0.285 3.675 3.960 0.000 0.000 0.218 103 G HA3 -0.285 3.675 3.960 0.000 0.000 0.218 103 G C 1.777 176.681 174.900 0.007 0.000 1.195 103 G CA 1.244 46.349 45.100 0.008 0.000 0.779 103 G HN 0.206 nan 8.290 nan 0.000 0.577 104 L N 0.247 121.474 121.223 0.007 0.000 2.013 104 L HA -0.147 4.193 4.340 0.000 0.000 0.212 104 L C 2.865 179.738 176.870 0.005 0.000 1.073 104 L CA 1.890 56.733 54.840 0.006 0.000 0.753 104 L CB -0.494 41.568 42.059 0.005 0.000 0.890 104 L HN 0.280 nan 8.230 nan 0.000 0.432 105 K N 0.303 120.706 120.400 0.004 0.000 2.113 105 K HA -0.227 4.093 4.320 0.000 0.000 0.208 105 K C 1.984 178.586 176.600 0.003 0.000 1.047 105 K CA 1.595 57.884 56.287 0.003 0.000 0.928 105 K CB -0.064 32.438 32.500 0.003 0.000 0.716 105 K HN 0.326 nan 8.250 nan 0.000 0.446 106 A N 0.136 122.959 122.820 0.004 0.000 2.067 106 A HA -0.002 4.318 4.320 0.000 0.000 0.217 106 A C 2.012 179.599 177.584 0.005 0.000 1.156 106 A CA 0.806 52.846 52.037 0.004 0.000 0.683 106 A CB -0.010 18.992 19.000 0.005 0.000 0.808 106 A HN 0.158 nan 8.150 nan 0.000 0.455 107 V N -0.335 119.582 119.914 0.005 0.000 2.488 107 V HA -0.135 3.985 4.120 0.000 0.000 0.246 107 V C 2.943 179.040 176.094 0.005 0.000 1.046 107 V CA 1.565 63.869 62.300 0.006 0.000 1.053 107 V CB -1.017 30.810 31.823 0.008 0.000 0.679 107 V HN 0.546 nan 8.190 nan 0.000 0.458 108 A N 0.316 123.138 122.820 0.004 0.000 2.019 108 A HA -0.032 4.288 4.320 0.000 0.000 0.219 108 A C 2.316 179.901 177.584 0.002 0.000 1.164 108 A CA 1.709 53.748 52.037 0.002 0.000 0.644 108 A CB -0.570 18.431 19.000 0.001 0.000 0.805 108 A HN 0.559 nan 8.150 nan 0.000 0.449 109 A N -1.687 121.134 122.820 0.002 0.000 2.168 109 A HA 0.361 4.681 4.320 0.000 0.000 0.215 109 A C 1.776 179.361 177.584 0.002 0.000 1.152 109 A CA 1.413 53.451 52.037 0.002 0.000 0.716 109 A CB -0.836 18.165 19.000 0.002 0.000 0.794 109 A HN 1.908 nan 8.150 nan 0.000 0.465 110 G N -1.989 106.812 108.800 0.003 0.000 2.131 110 G HA2 -0.185 3.775 3.960 0.000 0.000 0.201 110 G HA3 -0.185 3.775 3.960 0.000 0.000 0.201 110 G C 0.012 174.914 174.900 0.004 0.000 1.000 110 G CA 0.181 45.283 45.100 0.003 0.000 0.680 110 G HN 0.365 nan 8.290 nan 0.000 0.514 111 M N 0.028 119.630 119.600 0.005 0.000 2.471 111 M HA 0.378 4.858 4.480 0.000 0.000 0.309 111 M C 0.600 176.904 176.300 0.007 0.000 1.186 111 M CA -0.886 54.417 55.300 0.005 0.000 1.008 111 M CB 0.864 33.467 32.600 0.005 0.000 1.551 111 M HN 0.172 nan 8.290 nan 0.000 0.477 112 N N 1.595 120.300 118.700 0.007 0.000 2.420 112 N HA 0.156 4.896 4.740 0.000 0.000 0.262 112 N C -2.281 173.234 175.510 0.009 0.000 1.144 112 N CA -1.360 51.695 53.050 0.008 0.000 0.952 112 N CB 0.911 39.403 38.487 0.008 0.000 1.081 112 N HN 0.194 nan 8.380 nan 0.000 0.480 113 P HA -0.164 nan 4.420 nan 0.000 0.215 113 P C 1.322 178.629 177.300 0.011 0.000 1.153 113 P CA 1.065 64.172 63.100 0.011 0.000 0.853 113 P CB 0.085 31.793 31.700 0.012 0.000 0.788 114 M N -0.442 119.164 119.600 0.011 0.000 2.202 114 M HA -0.167 4.313 4.480 0.000 0.000 0.262 114 M C 1.165 177.471 176.300 0.010 0.000 1.063 114 M CA 1.795 57.102 55.300 0.011 0.000 1.097 114 M CB -1.062 31.544 32.600 0.011 0.000 1.382 114 M HN -0.173 nan 8.290 nan 0.000 0.413 115 D N -0.746 119.659 120.400 0.009 0.000 2.162 115 D HA -0.040 4.600 4.640 0.000 0.000 0.203 115 D C 2.093 178.398 176.300 0.008 0.000 0.967 115 D CA 0.960 54.964 54.000 0.008 0.000 0.840 115 D CB -0.183 40.621 40.800 0.007 0.000 0.972 115 D HN 0.372 nan 8.370 nan 0.000 0.482 116 L N 1.008 122.236 121.223 0.008 0.000 2.013 116 L HA -0.221 4.119 4.340 0.000 0.000 0.212 116 L C 2.589 179.464 176.870 0.009 0.000 1.073 116 L CA 1.320 56.165 54.840 0.008 0.000 0.753 116 L CB -0.440 41.624 42.059 0.008 0.000 0.890 116 L HN 0.010 nan 8.230 nan 0.000 0.432 117 K N 0.313 120.719 120.400 0.010 0.000 2.001 117 K HA -0.221 4.099 4.320 0.000 0.000 0.214 117 K C 2.303 178.909 176.600 0.010 0.000 1.050 117 K CA 1.565 57.858 56.287 0.011 0.000 0.934 117 K CB -0.041 32.467 32.500 0.012 0.000 0.718 117 K HN 0.190 nan 8.250 nan 0.000 0.443 118 R N -0.335 120.171 120.500 0.009 0.000 2.097 118 R HA -0.141 4.199 4.340 0.000 0.000 0.236 118 R C 2.553 178.858 176.300 0.007 0.000 1.135 118 R CA 1.567 57.672 56.100 0.009 0.000 0.934 118 R CB -1.038 29.267 30.300 0.008 0.000 0.846 118 R HN 0.458 nan 8.270 nan 0.000 0.431 119 G N 1.790 110.594 108.800 0.007 0.000 2.556 119 G HA2 -0.289 3.671 3.960 0.000 0.000 0.220 119 G HA3 -0.289 3.671 3.960 0.000 0.000 0.220 119 G C 1.512 176.415 174.900 0.006 0.000 1.156 119 G CA 1.236 46.339 45.100 0.006 0.000 0.766 119 G HN 0.212 nan 8.290 nan 0.000 0.583 120 I N 0.779 121.353 120.570 0.007 0.000 2.113 120 I HA -0.165 4.005 4.170 0.000 0.000 0.238 120 I C 2.500 178.621 176.117 0.007 0.000 1.070 120 I CA 1.504 62.809 61.300 0.007 0.000 1.332 120 I CB -0.420 37.586 38.000 0.010 0.000 1.044 120 I HN 0.106 nan 8.210 nan 0.000 0.402 121 D N 1.097 121.501 120.400 0.008 0.000 2.154 121 D HA -0.285 4.355 4.640 0.000 0.000 0.190 121 D C 2.025 178.328 176.300 0.004 0.000 1.003 121 D CA 1.779 55.783 54.000 0.008 0.000 0.849 121 D CB -0.330 40.476 40.800 0.010 0.000 0.942 121 D HN 0.340 nan 8.370 nan 0.000 0.446 122 K N 0.905 121.308 120.400 0.004 0.000 1.991 122 K HA -0.173 4.147 4.320 0.000 0.000 0.212 122 K C 2.202 178.803 176.600 0.001 0.000 1.049 122 K CA 1.649 57.938 56.287 0.003 0.000 0.932 122 K CB -0.243 32.259 32.500 0.004 0.000 0.717 122 K HN 0.027 nan 8.250 nan 0.000 0.441 123 A N 0.614 123.435 122.820 0.002 0.000 1.971 123 A HA -0.202 4.118 4.320 0.000 0.000 0.222 123 A C 2.247 179.831 177.584 -0.001 0.000 1.182 123 A CA 2.210 54.248 52.037 0.001 0.000 0.649 123 A CB -0.819 18.183 19.000 0.003 0.000 0.818 123 A HN 0.251 nan 8.150 nan 0.000 0.458 124 V N -0.997 118.916 119.914 -0.002 0.000 2.302 124 V HA -0.181 3.939 4.120 0.000 0.000 0.243 124 V C 2.681 178.768 176.094 -0.011 0.000 1.036 124 V CA 2.305 64.601 62.300 -0.007 0.000 1.020 124 V CB -1.260 30.558 31.823 -0.008 0.000 0.657 124 V HN 0.605 nan 8.190 nan 0.000 0.453 125 T N 0.789 115.338 114.554 -0.008 0.000 2.721 125 T HA -0.285 4.065 4.350 0.000 0.000 0.268 125 T C 1.988 176.683 174.700 -0.008 0.000 1.038 125 T CA 1.905 63.999 62.100 -0.008 0.000 1.145 125 T CB -0.466 68.400 68.868 -0.004 0.000 0.858 125 T HN 0.576 nan 8.240 nan 0.000 0.459 126 A N 1.338 124.155 122.820 -0.005 0.000 1.873 126 A HA 0.231 4.551 4.320 0.000 0.000 0.215 126 A C 2.695 180.276 177.584 -0.005 0.000 1.186 126 A CA 1.735 53.770 52.037 -0.004 0.000 0.616 126 A CB -1.160 17.840 19.000 -0.001 0.000 0.823 126 A HN 0.518 nan 8.150 nan 0.000 0.442 127 A N -0.492 122.324 122.820 -0.006 0.000 1.978 127 A HA -0.008 4.312 4.320 0.000 0.000 0.220 127 A C 2.207 179.784 177.584 -0.012 0.000 1.170 127 A CA 1.868 53.901 52.037 -0.007 0.000 0.636 127 A CB -0.842 18.153 19.000 -0.009 0.000 0.810 127 A HN 0.383 nan 8.150 nan 0.000 0.448 128 V N 0.124 120.028 119.914 -0.017 0.000 2.270 128 V HA -0.200 3.920 4.120 0.000 0.000 0.245 128 V C 2.537 178.622 176.094 -0.015 0.000 1.043 128 V CA 1.990 64.276 62.300 -0.022 0.000 1.014 128 V CB -0.790 31.015 31.823 -0.030 0.000 0.645 128 V HN 0.498 nan 8.190 nan 0.000 0.447 129 E N 0.034 120.228 120.200 -0.011 0.000 2.086 129 E HA -0.244 4.106 4.350 0.000 0.000 0.200 129 E C 2.230 178.827 176.600 -0.005 0.000 1.012 129 E CA 1.295 57.691 56.400 -0.007 0.000 0.812 129 E CB -0.470 29.228 29.700 -0.004 0.000 0.743 129 E HN 0.565 nan 8.360 nan 0.000 0.453 130 E N 0.641 120.839 120.200 -0.004 0.000 2.108 130 E HA -0.200 4.150 4.350 0.000 0.000 0.203 130 E C 2.397 178.996 176.600 -0.001 0.000 1.022 130 E CA 0.919 57.319 56.400 -0.001 0.000 0.823 130 E CB -0.446 29.254 29.700 -0.000 0.000 0.744 130 E HN 0.333 nan 8.360 nan 0.000 0.456 131 L N 0.383 121.603 121.223 -0.005 0.000 2.027 131 L HA -0.164 4.176 4.340 0.000 0.000 0.206 131 L C 2.464 179.331 176.870 -0.004 0.000 1.074 131 L CA 1.273 56.110 54.840 -0.005 0.000 0.745 131 L CB -0.555 41.497 42.059 -0.012 0.000 0.898 131 L HN 0.059 nan 8.230 nan 0.000 0.433 132 K N 0.352 120.748 120.400 -0.007 0.000 2.286 132 K HA -0.191 4.129 4.320 0.000 0.000 0.203 132 K C 2.145 178.745 176.600 -0.001 0.000 1.045 132 K CA 1.282 57.566 56.287 -0.005 0.000 0.935 132 K CB -0.252 32.245 32.500 -0.006 0.000 0.737 132 K HN 0.353 nan 8.250 nan 0.000 0.460 133 A N 1.088 123.908 122.820 0.000 0.000 1.832 133 A HA -0.112 4.208 4.320 0.000 0.000 0.214 133 A C 1.948 179.535 177.584 0.004 0.000 1.204 133 A CA 1.095 53.133 52.037 0.003 0.000 0.606 133 A CB -0.491 18.512 19.000 0.003 0.000 0.849 133 A HN 0.096 nan 8.150 nan 0.000 0.445 134 L N 0.583 121.809 121.223 0.006 0.000 2.265 134 L HA -0.007 4.333 4.340 0.000 0.000 0.215 134 L C 1.686 178.560 176.870 0.007 0.000 1.117 134 L CA 1.066 55.911 54.840 0.008 0.000 0.782 134 L CB -0.985 41.080 42.059 0.011 0.000 0.914 134 L HN 0.306 nan 8.230 nan 0.000 0.441 135 S N -0.013 115.689 115.700 0.004 0.000 2.546 135 S HA 0.307 4.777 4.470 0.000 0.000 0.290 135 S C -0.236 174.367 174.600 0.005 0.000 1.290 135 S CA -0.432 57.771 58.200 0.004 0.000 1.069 135 S CB 0.134 63.335 63.200 0.002 0.000 0.846 135 S HN 0.137 nan 8.310 nan 0.000 0.495 136 V N 3.287 123.204 119.914 0.006 0.000 2.789 136 V HA 0.718 4.838 4.120 0.000 0.000 0.311 136 V C -2.937 173.161 176.094 0.006 0.000 1.073 136 V CA -2.833 59.471 62.300 0.007 0.000 0.921 136 V CB 1.216 33.044 31.823 0.008 0.000 1.009 136 V HN 0.655 nan 8.190 nan 0.000 0.426 137 P HA 0.140 nan 4.420 nan 0.000 0.263 137 P C -0.469 176.835 177.300 0.006 0.000 1.195 137 P CA 0.164 63.267 63.100 0.005 0.000 0.762 137 P CB 0.258 31.961 31.700 0.005 0.000 0.799 138 C N 4.210 123.513 119.300 0.006 0.000 2.206 138 C HA 0.414 4.874 4.460 0.000 0.000 0.324 138 C C 1.491 176.484 174.990 0.005 0.000 1.120 138 C CA 0.418 59.440 59.018 0.006 0.000 1.546 138 C CB -1.550 26.194 27.740 0.007 0.000 2.023 138 C HN 0.706 nan 8.230 nan 0.000 0.448 139 S N 2.451 118.153 115.700 0.004 0.000 2.665 139 S HA 0.142 4.612 4.470 0.000 0.000 0.240 139 S C 0.085 174.687 174.600 0.003 0.000 1.081 139 S CA 0.189 58.392 58.200 0.003 0.000 0.887 139 S CB -0.495 62.707 63.200 0.003 0.000 0.805 139 S HN 0.859 nan 8.310 nan 0.000 0.486 140 D N 1.831 122.233 120.400 0.003 0.000 2.382 140 D HA 0.370 5.010 4.640 0.000 0.000 0.240 140 D C 0.784 177.085 176.300 0.002 0.000 1.146 140 D CA -0.153 53.848 54.000 0.002 0.000 0.897 140 D CB 0.729 41.530 40.800 0.003 0.000 1.197 140 D HN 0.004 nan 8.370 nan 0.000 0.432 141 S N 0.318 116.019 115.700 0.002 0.000 2.419 141 S HA -0.182 4.288 4.470 0.000 0.000 0.233 141 S C 1.560 176.161 174.600 0.002 0.000 1.016 141 S CA 0.859 59.060 58.200 0.002 0.000 0.974 141 S CB -0.324 62.877 63.200 0.001 0.000 0.786 141 S HN 0.593 nan 8.310 nan 0.000 0.492 142 K N 1.692 122.093 120.400 0.002 0.000 1.973 142 K HA -0.119 4.201 4.320 0.000 0.000 0.212 142 K C 2.338 178.940 176.600 0.002 0.000 1.047 142 K CA 1.318 57.606 56.287 0.002 0.000 0.937 142 K CB -0.498 32.003 32.500 0.001 0.000 0.721 142 K HN 0.257 nan 8.250 nan 0.000 0.440 143 A N 1.751 124.573 122.820 0.003 0.000 1.884 143 A HA -0.237 4.083 4.320 0.000 0.000 0.219 143 A C 2.182 179.769 177.584 0.004 0.000 1.197 143 A CA 2.159 54.198 52.037 0.004 0.000 0.637 143 A CB -0.925 18.077 19.000 0.005 0.000 0.827 143 A HN 0.451 nan 8.150 nan 0.000 0.450 144 I N -0.437 120.135 120.570 0.005 0.000 2.151 144 I HA -0.354 3.816 4.170 0.000 0.000 0.243 144 I C 2.997 179.118 176.117 0.006 0.000 1.080 144 I CA 1.353 62.656 61.300 0.006 0.000 1.339 144 I CB -0.549 37.454 38.000 0.005 0.000 1.039 144 I HN 0.408 nan 8.210 nan 0.000 0.409 145 A N 0.074 122.896 122.820 0.004 0.000 1.978 145 A HA -0.264 4.056 4.320 0.000 0.000 0.220 145 A C 2.215 179.801 177.584 0.003 0.000 1.170 145 A CA 1.602 53.641 52.037 0.004 0.000 0.636 145 A CB -0.625 18.376 19.000 0.002 0.000 0.810 145 A HN 0.529 nan 8.150 nan 0.000 0.448 146 Q N -0.501 119.300 119.800 0.003 0.000 2.224 146 Q HA -0.097 4.243 4.340 0.000 0.000 0.203 146 Q C 2.119 178.121 176.000 0.003 0.000 0.970 146 Q CA 1.632 57.435 55.803 0.001 0.000 0.865 146 Q CB -0.344 28.394 28.738 0.000 0.000 0.922 146 Q HN 0.795 nan 8.270 nan 0.000 0.445 147 V N -3.723 116.195 119.914 0.006 0.000 2.599 147 V HA 0.135 4.255 4.120 0.000 0.000 0.245 147 V C 1.956 178.057 176.094 0.012 0.000 1.046 147 V CA 1.536 63.841 62.300 0.009 0.000 1.065 147 V CB -0.968 30.863 31.823 0.013 0.000 0.703 147 V HN 0.221 nan 8.190 nan 0.000 0.464 148 G N 0.609 109.417 108.800 0.014 0.000 2.421 148 G HA2 -0.205 3.755 3.960 0.000 0.000 0.216 148 G HA3 -0.205 3.755 3.960 0.000 0.000 0.216 148 G C 1.563 176.470 174.900 0.012 0.000 1.171 148 G CA 1.653 46.763 45.100 0.017 0.000 0.775 148 G HN 0.470 nan 8.290 nan 0.000 0.543 149 T N 1.162 115.720 114.554 0.006 0.000 2.665 149 T HA -0.186 4.164 4.350 0.000 0.000 0.268 149 T C 2.295 176.994 174.700 -0.000 0.000 1.035 149 T CA 1.357 63.459 62.100 0.002 0.000 1.151 149 T CB -0.206 68.661 68.868 -0.001 0.000 0.862 149 T HN 0.162 nan 8.240 nan 0.000 0.438 150 I N 0.749 121.318 120.570 -0.001 0.000 2.286 150 I HA -0.116 4.054 4.170 0.000 0.000 0.248 150 I C 2.575 178.691 176.117 -0.000 0.000 1.115 150 I CA 1.188 62.485 61.300 -0.004 0.000 1.392 150 I CB -0.457 37.541 38.000 -0.004 0.000 1.065 150 I HN 0.133 nan 8.210 nan 0.000 0.418 151 S N 0.330 116.034 115.700 0.006 0.000 2.383 151 S HA 0.039 4.509 4.470 0.000 0.000 0.227 151 S C 1.649 176.252 174.600 0.006 0.000 1.026 151 S CA 0.700 58.905 58.200 0.008 0.000 0.981 151 S CB -0.471 62.740 63.200 0.018 0.000 0.818 151 S HN 0.488 nan 8.310 nan 0.000 0.472 152 A N 1.722 124.546 122.820 0.007 0.000 3.135 152 A HA 0.355 4.675 4.320 0.000 0.000 0.253 152 A C 0.527 178.111 177.584 -0.000 0.000 1.638 152 A CA -0.176 51.864 52.037 0.005 0.000 1.295 152 A CB -1.626 17.378 19.000 0.008 0.000 1.106 152 A HN 0.758 nan 8.150 nan 0.000 0.648 153 N N 0.843 119.541 118.700 -0.003 0.000 2.704 153 N HA -0.275 4.465 4.740 0.000 0.000 0.259 153 N C 0.045 175.550 175.510 -0.008 0.000 0.957 153 N CA 0.564 53.610 53.050 -0.006 0.000 0.804 153 N CB -0.541 37.942 38.487 -0.007 0.000 0.917 153 N HN 0.645 nan 8.380 nan 0.000 0.545 154 S N -1.225 114.470 115.700 -0.009 0.000 3.576 154 S HA -0.180 4.290 4.470 0.000 0.000 0.294 154 S C -0.573 174.021 174.600 -0.009 0.000 1.224 154 S CA 0.686 58.880 58.200 -0.012 0.000 0.866 154 S CB -0.937 62.253 63.200 -0.017 0.000 1.017 154 S HN 0.691 nan 8.310 nan 0.000 0.597 155 D N 1.160 121.557 120.400 -0.005 0.000 2.428 155 D HA 0.304 4.944 4.640 0.000 0.000 0.221 155 D C 1.110 177.409 176.300 -0.002 0.000 1.123 155 D CA -0.351 53.646 54.000 -0.003 0.000 0.869 155 D CB 0.662 41.461 40.800 -0.001 0.000 1.032 155 D HN 0.450 nan 8.370 nan 0.000 0.506 156 E N 1.259 121.456 120.200 -0.004 0.000 2.058 156 E HA -0.167 4.183 4.350 0.000 0.000 0.194 156 E C 1.571 178.171 176.600 -0.001 0.000 0.997 156 E CA 1.378 57.776 56.400 -0.003 0.000 0.801 156 E CB 0.117 29.814 29.700 -0.005 0.000 0.746 156 E HN 0.471 nan 8.360 nan 0.000 0.450 157 T N 1.031 115.584 114.554 -0.001 0.000 2.714 157 T HA -0.190 4.160 4.350 0.000 0.000 0.268 157 T C 1.999 176.701 174.700 0.002 0.000 1.036 157 T CA 1.416 63.516 62.100 0.000 0.000 1.148 157 T CB -0.272 68.596 68.868 0.000 0.000 0.856 157 T HN -0.010 nan 8.240 nan 0.000 0.462 158 V N 1.203 121.119 119.914 0.004 0.000 2.231 158 V HA 0.010 4.130 4.120 0.000 0.000 0.240 158 V C 2.928 179.026 176.094 0.007 0.000 1.039 158 V CA 1.830 64.134 62.300 0.007 0.000 0.998 158 V CB -1.573 30.255 31.823 0.009 0.000 0.639 158 V HN 0.519 nan 8.190 nan 0.000 0.451 159 G N 0.511 109.314 108.800 0.006 0.000 2.556 159 G HA2 -0.430 3.530 3.960 0.000 0.000 0.220 159 G HA3 -0.430 3.530 3.960 0.000 0.000 0.220 159 G C 1.549 176.452 174.900 0.004 0.000 1.156 159 G CA 1.800 46.904 45.100 0.006 0.000 0.766 159 G HN 0.490 nan 8.290 nan 0.000 0.583 160 K N 0.293 120.695 120.400 0.003 0.000 1.987 160 K HA -0.095 4.225 4.320 0.000 0.000 0.216 160 K C 2.346 178.947 176.600 0.002 0.000 1.051 160 K CA 1.484 57.772 56.287 0.002 0.000 0.942 160 K CB -1.033 31.467 32.500 0.000 0.000 0.722 160 K HN 0.224 nan 8.250 nan 0.000 0.444 161 L N 0.961 122.186 121.223 0.003 0.000 1.971 161 L HA -0.114 4.226 4.340 0.000 0.000 0.215 161 L C 2.325 179.197 176.870 0.003 0.000 1.072 161 L CA 1.838 56.680 54.840 0.003 0.000 0.758 161 L CB -0.644 41.417 42.059 0.004 0.000 0.889 161 L HN 0.392 nan 8.230 nan 0.000 0.433 162 I N -0.774 119.799 120.570 0.005 0.000 2.113 162 I HA -0.413 3.757 4.170 0.000 0.000 0.242 162 I C 2.601 178.719 176.117 0.003 0.000 1.064 162 I CA 1.490 62.793 61.300 0.005 0.000 1.320 162 I CB -0.849 37.156 38.000 0.009 0.000 1.028 162 I HN 0.394 nan 8.210 nan 0.000 0.406 163 A N 0.562 123.383 122.820 0.003 0.000 1.903 163 A HA -0.292 4.028 4.320 0.000 0.000 0.219 163 A C 2.191 179.776 177.584 0.001 0.000 1.191 163 A CA 2.241 54.279 52.037 0.002 0.000 0.638 163 A CB -0.782 18.220 19.000 0.002 0.000 0.823 163 A HN 0.533 nan 8.150 nan 0.000 0.451 164 E N -0.422 119.778 120.200 0.000 0.000 2.012 164 E HA -0.162 4.188 4.350 0.000 0.000 0.197 164 E C 2.448 179.047 176.600 -0.001 0.000 1.007 164 E CA 1.015 57.414 56.400 -0.001 0.000 0.816 164 E CB -0.452 29.248 29.700 -0.001 0.000 0.762 164 E HN 0.608 nan 8.360 nan 0.000 0.451 165 A N 1.880 124.699 122.820 -0.001 0.000 1.870 165 A HA -0.315 4.005 4.320 0.000 0.000 0.219 165 A C 2.304 179.886 177.584 -0.003 0.000 1.224 165 A CA 2.559 54.594 52.037 -0.002 0.000 0.650 165 A CB -0.917 18.082 19.000 -0.002 0.000 0.836 165 A HN 0.202 nan 8.150 nan 0.000 0.454 166 M N -1.250 118.348 119.600 -0.004 0.000 2.089 166 M HA -0.243 4.237 4.480 0.000 0.000 0.257 166 M C 1.937 178.235 176.300 -0.003 0.000 1.071 166 M CA 2.287 57.585 55.300 -0.004 0.000 1.096 166 M CB -0.908 31.690 32.600 -0.003 0.000 1.330 166 M HN 0.597 nan 8.290 nan 0.000 0.403 167 D N 0.002 120.401 120.400 -0.002 0.000 2.311 167 D HA -0.142 4.498 4.640 0.000 0.000 0.212 167 D C 1.751 178.049 176.300 -0.003 0.000 0.972 167 D CA 1.277 55.276 54.000 -0.002 0.000 0.887 167 D CB 0.277 41.076 40.800 -0.001 0.000 0.915 167 D HN 0.111 nan 8.370 nan 0.000 0.497 168 K N -0.602 119.797 120.400 -0.003 0.000 2.183 168 K HA 0.092 4.412 4.320 0.000 0.000 0.218 168 K C 1.970 178.568 176.600 -0.004 0.000 1.025 168 K CA 1.030 57.314 56.287 -0.004 0.000 0.944 168 K CB -0.654 31.844 32.500 -0.004 0.000 0.936 168 K HN 0.004 nan 8.250 nan 0.000 0.460 169 V N -0.980 118.932 119.914 -0.004 0.000 2.909 169 V HA 0.009 4.129 4.120 0.000 0.000 0.265 169 V C 1.068 177.160 176.094 -0.004 0.000 1.128 169 V CA 1.349 63.646 62.300 -0.004 0.000 1.149 169 V CB -1.872 29.948 31.823 -0.004 0.000 0.725 169 V HN 0.509 nan 8.190 nan 0.000 0.511 170 G N 0.295 109.092 108.800 -0.004 0.000 2.545 170 G HA2 -0.228 3.732 3.960 0.000 0.000 0.216 170 G HA3 -0.228 3.732 3.960 0.000 0.000 0.216 170 G C 0.190 175.089 174.900 -0.003 0.000 1.314 170 G CA 0.230 45.328 45.100 -0.003 0.000 0.906 170 G HN 0.398 nan 8.290 nan 0.000 0.563 171 K N 0.324 120.723 120.400 -0.002 0.000 2.166 171 K HA 0.157 4.478 4.320 0.000 0.000 0.201 171 K C 1.830 178.429 176.600 -0.003 0.000 1.052 171 K CA 1.340 57.625 56.287 -0.002 0.000 0.969 171 K CB 0.221 32.720 32.500 -0.001 0.000 0.761 171 K HN 0.531 nan 8.250 nan 0.000 0.459 172 E N 0.925 121.124 120.200 -0.001 0.000 2.476 172 E HA 0.074 4.424 4.350 0.000 0.000 0.196 172 E C 0.370 176.969 176.600 -0.001 0.000 1.029 172 E CA -0.446 55.953 56.400 -0.000 0.000 0.896 172 E CB 0.828 30.530 29.700 0.002 0.000 1.012 172 E HN 0.199 nan 8.360 nan 0.000 0.475 173 G N 1.017 109.815 108.800 -0.003 0.000 2.527 173 G HA2 0.288 4.248 3.960 0.000 0.000 0.248 173 G HA3 0.288 4.248 3.960 0.000 0.000 0.248 173 G C 0.081 174.978 174.900 -0.005 0.000 1.231 173 G CA -0.399 44.700 45.100 -0.003 0.000 0.838 173 G HN -0.047 nan 8.290 nan 0.000 0.570 174 V N 1.718 121.631 119.914 -0.003 0.000 2.716 174 V HA 0.570 4.690 4.120 0.000 0.000 0.304 174 V C 0.229 176.318 176.094 -0.008 0.000 1.053 174 V CA -0.481 61.816 62.300 -0.006 0.000 0.984 174 V CB 1.529 33.353 31.823 0.003 0.000 1.021 174 V HN 0.579 nan 8.190 nan 0.000 0.467 175 I N 2.759 123.319 120.570 -0.016 0.000 2.571 175 I HA 0.554 4.724 4.170 0.000 0.000 0.289 175 I C -0.432 175.674 176.117 -0.017 0.000 1.115 175 I CA -0.292 60.998 61.300 -0.015 0.000 1.045 175 I CB 2.447 40.434 38.000 -0.021 0.000 1.238 175 I HN 0.789 nan 8.210 nan 0.000 0.424 176 T N 2.255 116.807 114.554 -0.004 0.000 2.903 176 T HA 0.679 5.029 4.350 0.000 0.000 0.299 176 T C -1.081 173.625 174.700 0.010 0.000 1.093 176 T CA -0.866 61.236 62.100 0.003 0.000 1.002 176 T CB 2.336 71.210 68.868 0.010 0.000 1.127 176 T HN 0.320 nan 8.240 nan 0.000 0.488 177 V N 1.391 121.316 119.914 0.018 0.000 2.459 177 V HA 0.729 4.849 4.120 0.000 0.000 0.295 177 V C -1.073 175.034 176.094 0.020 0.000 1.029 177 V CA -0.344 61.969 62.300 0.021 0.000 0.874 177 V CB 1.284 33.125 31.823 0.029 0.000 0.985 177 V HN 1.078 nan 8.190 nan 0.000 0.438 178 E N 3.731 123.941 120.200 0.017 0.000 2.393 178 E HA 0.429 4.779 4.350 0.000 0.000 0.273 178 E C -1.603 175.004 176.600 0.013 0.000 0.918 178 E CA -0.978 55.431 56.400 0.015 0.000 0.773 178 E CB 1.609 31.318 29.700 0.014 0.000 1.275 178 E HN 0.662 nan 8.360 nan 0.000 0.451 179 D N 1.382 121.789 120.400 0.012 0.000 2.458 179 D HA 0.142 4.782 4.640 0.000 0.000 0.243 179 D C 0.210 176.515 176.300 0.009 0.000 1.146 179 D CA 0.405 54.411 54.000 0.010 0.000 0.877 179 D CB 1.089 41.895 40.800 0.010 0.000 1.176 179 D HN 0.498 nan 8.370 nan 0.000 0.461 180 G N 0.474 109.279 108.800 0.008 0.000 2.557 180 G HA2 0.313 4.273 3.960 0.000 0.000 0.292 180 G HA3 0.313 4.273 3.960 0.000 0.000 0.292 180 G C 1.104 176.008 174.900 0.006 0.000 1.237 180 G CA -0.043 45.061 45.100 0.007 0.000 0.978 180 G HN 0.433 nan 8.290 nan 0.000 0.498 181 T N -1.708 112.849 114.554 0.005 0.000 2.815 181 T HA 0.234 4.584 4.350 0.000 0.000 0.244 181 T C 1.837 176.539 174.700 0.003 0.000 1.040 181 T CA 1.040 63.143 62.100 0.004 0.000 1.176 181 T CB -0.891 67.979 68.868 0.003 0.000 0.880 181 T HN 0.773 nan 8.240 nan 0.000 0.414 182 G N 0.924 109.726 108.800 0.003 0.000 2.393 182 G HA2 0.367 4.327 3.960 0.000 0.000 0.268 182 G HA3 0.367 4.327 3.960 0.000 0.000 0.268 182 G C 0.587 175.488 174.900 0.002 0.000 1.472 182 G CA -0.090 45.011 45.100 0.002 0.000 1.059 182 G HN 0.495 nan 8.290 nan 0.000 0.555 183 L N -0.776 120.448 121.223 0.002 0.000 2.731 183 L HA 0.219 4.559 4.340 0.000 0.000 0.240 183 L C 0.450 177.321 176.870 0.002 0.000 1.120 183 L CA 0.047 54.888 54.840 0.002 0.000 0.913 183 L CB 0.174 42.234 42.059 0.001 0.000 1.213 183 L HN 0.322 nan 8.230 nan 0.000 0.515 184 Q N 0.319 120.120 119.800 0.002 0.000 2.230 184 Q HA 0.249 4.590 4.340 0.000 0.000 0.248 184 Q C -0.667 175.335 176.000 0.002 0.000 0.915 184 Q CA -0.310 55.494 55.803 0.001 0.000 0.900 184 Q CB 1.036 29.775 28.738 0.001 0.000 1.229 184 Q HN -0.032 nan 8.270 nan 0.000 0.439 185 D N 1.521 121.922 120.400 0.003 0.000 2.345 185 D HA 0.123 4.763 4.640 0.000 0.000 0.247 185 D C -0.529 175.773 176.300 0.003 0.000 1.108 185 D CA 0.084 54.087 54.000 0.004 0.000 0.894 185 D CB 1.047 41.850 40.800 0.004 0.000 1.203 185 D HN 0.472 nan 8.370 nan 0.000 0.430 186 E N 1.136 121.338 120.200 0.004 0.000 2.292 186 E HA 0.356 4.706 4.350 0.000 0.000 0.272 186 E C -1.714 174.888 176.600 0.003 0.000 0.881 186 E CA -0.856 55.546 56.400 0.003 0.000 0.754 186 E CB 1.753 31.454 29.700 0.002 0.000 1.201 186 E HN 0.117 nan 8.360 nan 0.000 0.425 187 L N 4.056 125.280 121.223 0.002 0.000 2.287 187 L HA 0.506 4.846 4.340 0.000 0.000 0.287 187 L C -1.523 175.347 176.870 0.000 0.000 1.022 187 L CA -0.231 54.610 54.840 0.002 0.000 0.814 187 L CB 1.310 43.370 42.059 0.001 0.000 1.217 187 L HN 0.433 nan 8.230 nan 0.000 0.420 188 D N 4.217 124.617 120.400 0.001 0.000 2.278 188 D HA 0.524 5.164 4.640 0.000 0.000 0.245 188 D C -0.943 175.357 176.300 -0.001 0.000 1.052 188 D CA -0.004 53.996 54.000 -0.000 0.000 0.834 188 D CB 2.444 43.245 40.800 0.001 0.000 1.194 188 D HN 0.276 nan 8.370 nan 0.000 0.481 189 V N 2.408 122.320 119.914 -0.003 0.000 2.376 189 V HA 0.227 4.347 4.120 0.000 0.000 0.287 189 V C 0.160 176.250 176.094 -0.006 0.000 1.015 189 V CA -0.895 61.403 62.300 -0.004 0.000 0.834 189 V CB 1.778 33.598 31.823 -0.005 0.000 1.001 189 V HN 0.289 nan 8.190 nan 0.000 0.428 190 V N 4.591 124.502 119.914 -0.005 0.000 2.555 190 V HA 0.265 4.385 4.120 0.000 0.000 0.286 190 V C 0.346 176.433 176.094 -0.012 0.000 1.044 190 V CA -0.278 62.017 62.300 -0.009 0.000 1.026 190 V CB 1.076 32.897 31.823 -0.004 0.000 0.981 190 V HN 0.765 nan 8.190 nan 0.000 0.480 191 E N 3.524 123.713 120.200 -0.018 0.000 2.134 191 E HA 0.559 4.909 4.350 0.000 0.000 0.278 191 E C 0.698 177.281 176.600 -0.028 0.000 0.959 191 E CA 0.735 57.122 56.400 -0.021 0.000 0.783 191 E CB 1.485 31.172 29.700 -0.021 0.000 1.095 191 E HN 0.936 nan 8.360 nan 0.000 0.399 192 G N 3.070 111.854 108.800 -0.026 0.000 2.514 192 G HA2 -0.301 3.659 3.960 0.000 0.000 0.265 192 G HA3 -0.301 3.659 3.960 0.000 0.000 0.265 192 G C -0.287 174.590 174.900 -0.038 0.000 1.150 192 G CA 0.239 45.320 45.100 -0.032 0.000 0.959 192 G HN 0.467 nan 8.290 nan 0.000 0.556 193 M N 1.388 120.953 119.600 -0.058 0.000 2.294 193 M HA 0.762 5.242 4.480 0.000 0.000 0.335 193 M C -0.371 175.850 176.300 -0.132 0.000 1.079 193 M CA -0.353 54.900 55.300 -0.078 0.000 0.982 193 M CB 1.437 33.988 32.600 -0.082 0.000 1.651 193 M HN 1.073 nan 8.290 nan 0.000 0.437 194 Q N 3.749 123.466 119.800 -0.138 0.000 2.721 194 Q HA 0.516 4.856 4.340 0.000 0.000 0.282 194 Q C -2.207 173.752 176.000 -0.069 0.000 0.932 194 Q CA -0.648 55.032 55.803 -0.206 0.000 0.816 194 Q CB 1.459 30.131 28.738 -0.110 0.000 1.506 194 Q HN 0.711 nan 8.270 nan 0.000 0.399 195 F N -0.042 119.909 119.950 0.001 0.000 2.894 195 F HA 0.527 5.054 4.527 0.000 0.000 0.332 195 F C -0.529 175.274 175.800 0.004 0.000 1.192 195 F CA -1.306 56.697 58.000 0.006 0.000 0.980 195 F CB 0.072 39.079 39.000 0.011 0.000 1.448 195 F HN 0.461 nan 8.300 nan 0.000 0.514 196 D N -0.320 120.289 120.400 0.348 0.000 3.134 196 D HA 0.336 4.976 4.640 0.000 0.000 0.248 196 D C 0.140 176.465 176.300 0.043 0.000 1.273 196 D CA 0.087 54.177 54.000 0.150 0.000 0.904 196 D CB -0.425 40.408 40.800 0.055 0.000 1.089 196 D HN 0.877 nan 8.370 nan 0.000 0.478 197 R N -0.041 120.556 120.500 0.162 0.000 2.476 197 R HA 0.675 5.015 4.340 0.000 0.000 0.305 197 R C 0.245 176.660 176.300 0.193 0.000 0.965 197 R CA -0.397 55.730 56.100 0.045 0.000 0.867 197 R CB 0.968 31.116 30.300 -0.254 0.000 1.176 197 R HN 0.303 nan 8.270 nan 0.000 0.447 198 G N 0.476 109.345 108.800 0.116 0.000 2.532 198 G HA2 0.538 4.498 3.960 0.000 0.000 0.291 198 G HA3 0.538 4.498 3.960 0.000 0.000 0.291 198 G C -0.421 174.606 174.900 0.212 0.000 1.349 198 G CA -0.272 44.891 45.100 0.105 0.000 1.038 198 G HN 0.961 nan 8.290 nan 0.000 0.518 199 Y N -0.501 119.842 120.300 0.072 0.000 2.310 199 Y HA 0.588 5.138 4.550 0.000 0.000 0.326 199 Y C 0.516 176.455 175.900 0.065 0.000 1.151 199 Y CA -2.375 55.768 58.100 0.071 0.000 1.195 199 Y CB 0.847 39.349 38.460 0.070 0.000 1.210 199 Y HN 0.120 nan 8.280 nan 0.000 0.483 200 L N 2.381 123.701 121.223 0.162 0.000 2.209 200 L HA 0.034 4.374 4.340 0.000 0.000 0.207 200 L C 1.299 178.148 176.870 -0.036 0.000 1.094 200 L CA 1.348 56.223 54.840 0.058 0.000 0.790 200 L CB -0.846 41.245 42.059 0.053 0.000 0.932 200 L HN 0.743 nan 8.230 nan 0.000 0.447 201 S N 0.146 115.786 115.700 -0.100 0.000 3.170 201 S HA 0.283 4.753 4.470 0.000 0.000 0.257 201 S C -1.602 172.699 174.600 -0.497 0.000 1.284 201 S CA -1.199 56.932 58.200 -0.114 0.000 0.973 201 S CB 0.154 63.328 63.200 -0.042 0.000 1.330 201 S HN 0.066 nan 8.310 nan 0.000 0.493 202 P HA -0.208 nan 4.420 nan 0.000 0.216 202 P C 0.705 177.688 177.300 -0.529 0.000 1.150 202 P CA 1.333 63.758 63.100 -1.124 0.000 0.843 202 P CB -0.212 31.171 31.700 -0.529 0.000 0.787 203 Y N -0.151 119.971 120.300 -0.297 0.000 2.298 203 Y HA -0.116 4.434 4.550 0.000 0.000 0.287 203 Y C 2.545 178.395 175.900 -0.083 0.000 1.164 203 Y CA 0.911 58.933 58.100 -0.130 0.000 1.229 203 Y CB -2.237 36.168 38.460 -0.092 0.000 0.977 203 Y HN -0.109 nan 8.280 nan 0.000 0.538 204 F N 1.563 121.544 119.950 0.052 0.000 2.783 204 F HA 0.400 4.927 4.527 0.000 0.000 0.338 204 F C 0.332 176.261 175.800 0.214 0.000 1.178 204 F CA -0.759 57.301 58.000 0.099 0.000 1.343 204 F CB -1.813 37.236 39.000 0.083 0.000 1.496 204 F HN -0.021 nan 8.300 nan 0.000 0.583 205 I N 1.857 122.555 120.570 0.215 0.000 2.315 205 I HA 0.123 4.293 4.170 0.000 0.000 0.291 205 I C 1.116 177.313 176.117 0.133 0.000 1.006 205 I CA -0.410 61.041 61.300 0.252 0.000 1.265 205 I CB 1.011 39.141 38.000 0.216 0.000 1.387 205 I HN 0.536 nan 8.210 nan 0.000 0.475 206 N N 6.619 125.382 118.700 0.104 0.000 2.097 206 N HA -0.095 4.645 4.740 0.000 0.000 0.184 206 N C 1.400 176.936 175.510 0.045 0.000 1.082 206 N CA 1.373 54.461 53.050 0.063 0.000 0.909 206 N CB 0.220 38.733 38.487 0.044 0.000 1.051 206 N HN 0.586 nan 8.380 nan 0.000 0.449 207 K N 0.464 120.881 120.400 0.028 0.000 2.057 207 K HA 0.145 4.465 4.320 0.000 0.000 0.209 207 K C -1.546 175.064 176.600 0.016 0.000 1.028 207 K CA -0.113 56.185 56.287 0.019 0.000 0.950 207 K CB -1.002 31.503 32.500 0.008 0.000 0.784 207 K HN 0.206 nan 8.250 nan 0.000 0.448 208 P HA 0.059 nan 4.420 nan 0.000 0.273 208 P C -0.830 176.475 177.300 0.008 0.000 1.250 208 P CA -0.031 63.071 63.100 0.003 0.000 0.793 208 P CB 0.697 32.392 31.700 -0.008 0.000 1.011 209 E N -0.556 119.647 120.200 0.005 0.000 2.869 209 E HA 0.290 4.640 4.350 0.000 0.000 0.258 209 E C 0.409 177.008 176.600 -0.002 0.000 1.354 209 E CA 0.025 56.431 56.400 0.010 0.000 1.065 209 E CB -0.591 29.113 29.700 0.007 0.000 1.215 209 E HN 0.429 nan 8.360 nan 0.000 0.659 210 T N -0.788 113.767 114.554 0.003 0.000 5.888 210 T HA -0.141 4.209 4.350 0.000 0.000 0.275 210 T C 0.803 175.481 174.700 -0.036 0.000 2.123 210 T CA 1.194 63.287 62.100 -0.012 0.000 3.523 210 T CB -1.735 67.117 68.868 -0.027 0.000 1.240 210 T HN 1.140 nan 8.240 nan 0.000 1.133 211 G N 0.147 108.949 108.800 0.004 0.000 2.142 211 G HA2 0.123 4.083 3.960 0.000 0.000 0.225 211 G HA3 0.123 4.083 3.960 0.000 0.000 0.225 211 G C 0.134 174.923 174.900 -0.185 0.000 1.015 211 G CA 0.280 45.371 45.100 -0.015 0.000 0.716 211 G HN 1.932 nan 8.290 nan 0.000 0.508 212 A N 0.203 122.981 122.820 -0.070 0.000 2.489 212 A HA 0.582 4.902 4.320 0.000 0.000 0.289 212 A C 0.756 178.327 177.584 -0.021 0.000 1.216 212 A CA 0.471 52.468 52.037 -0.067 0.000 0.883 212 A CB 0.258 19.236 19.000 -0.036 0.000 1.110 212 A HN 1.233 nan 8.150 nan 0.000 0.523 213 V N 3.216 123.105 119.914 -0.042 0.000 2.481 213 V HA 0.354 4.474 4.120 0.000 0.000 0.286 213 V C 0.360 176.453 176.094 -0.003 0.000 1.042 213 V CA -0.311 62.000 62.300 0.019 0.000 0.928 213 V CB 1.259 33.112 31.823 0.050 0.000 0.986 213 V HN 0.894 nan 8.190 nan 0.000 0.462 214 E N 4.184 124.390 120.200 0.010 0.000 3.352 214 E HA 0.300 4.650 4.350 0.000 0.000 0.254 214 E C -1.150 175.448 176.600 -0.004 0.000 1.229 214 E CA -0.330 56.066 56.400 -0.006 0.000 0.949 214 E CB 1.220 30.915 29.700 -0.009 0.000 1.373 214 E HN 0.576 nan 8.360 nan 0.000 0.392 215 L N 2.220 123.441 121.223 -0.003 0.000 2.515 215 L HA 0.118 4.458 4.340 0.000 0.000 0.281 215 L C 0.599 177.450 176.870 -0.033 0.000 1.131 215 L CA -0.044 54.792 54.840 -0.007 0.000 0.905 215 L CB -0.267 41.794 42.059 0.003 0.000 1.246 215 L HN 0.299 nan 8.230 nan 0.000 0.463 216 E N 3.591 123.771 120.200 -0.034 0.000 2.265 216 E HA 0.007 4.357 4.350 0.000 0.000 0.272 216 E C 0.605 177.154 176.600 -0.085 0.000 1.067 216 E CA 0.255 56.624 56.400 -0.051 0.000 0.900 216 E CB 0.442 30.120 29.700 -0.037 0.000 1.017 216 E HN 0.525 nan 8.360 nan 0.000 0.431 217 S N 4.330 119.963 115.700 -0.111 0.000 3.711 217 S HA -0.102 4.368 4.470 0.000 0.000 0.374 217 S C -2.254 172.173 174.600 -0.289 0.000 0.969 217 S CA 0.290 58.381 58.200 -0.182 0.000 1.198 217 S CB -0.997 62.100 63.200 -0.172 0.000 0.903 217 S HN 0.600 nan 8.310 nan 0.000 0.493 218 P HA 0.438 nan 4.420 nan 0.000 0.277 218 P C -0.283 176.813 177.300 -0.342 0.000 1.276 218 P CA -0.419 62.553 63.100 -0.213 0.000 0.788 218 P CB 0.314 31.972 31.700 -0.069 0.000 1.114 219 F N -0.530 119.423 119.950 0.004 0.000 2.477 219 F HA 0.342 4.869 4.527 0.000 0.000 0.335 219 F C 0.396 176.200 175.800 0.006 0.000 1.130 219 F CA -0.697 57.306 58.000 0.004 0.000 0.948 219 F CB 0.793 39.796 39.000 0.005 0.000 1.154 219 F HN 0.007 nan 8.300 nan 0.000 0.439 220 I N 4.460 125.136 120.570 0.176 0.000 2.472 220 I HA 0.351 4.521 4.170 0.000 0.000 0.290 220 I C -0.673 175.505 176.117 0.103 0.000 1.016 220 I CA -0.508 60.856 61.300 0.107 0.000 1.348 220 I CB 1.077 39.114 38.000 0.061 0.000 1.417 220 I HN 0.325 nan 8.210 nan 0.000 0.521 221 L N 7.258 128.530 121.223 0.082 0.000 2.409 221 L HA 0.671 5.011 4.340 0.000 0.000 0.272 221 L C -1.507 175.397 176.870 0.056 0.000 0.980 221 L CA -0.457 54.420 54.840 0.062 0.000 0.826 221 L CB 1.379 43.471 42.059 0.055 0.000 1.268 221 L HN 0.322 nan 8.230 nan 0.000 0.407 222 L N 5.049 126.299 121.223 0.045 0.000 2.362 222 L HA 0.987 5.327 4.340 0.000 0.000 0.275 222 L C 0.069 176.955 176.870 0.027 0.000 0.998 222 L CA -0.090 54.776 54.840 0.043 0.000 0.820 222 L CB 1.452 43.538 42.059 0.045 0.000 1.270 222 L HN 0.777 nan 8.230 nan 0.000 0.415 223 A N 1.169 124.002 122.820 0.022 0.000 2.539 223 A HA 0.867 5.187 4.320 0.000 0.000 0.272 223 A C -0.971 176.612 177.584 -0.001 0.000 1.286 223 A CA -0.371 51.671 52.037 0.008 0.000 0.792 223 A CB 1.006 20.010 19.000 0.006 0.000 1.355 223 A HN 0.664 nan 8.150 nan 0.000 0.472 224 D N -0.399 119.994 120.400 -0.011 0.000 2.837 224 D HA 0.506 5.146 4.640 0.000 0.000 0.340 224 D C -0.162 176.120 176.300 -0.029 0.000 1.451 224 D CA 0.944 54.930 54.000 -0.023 0.000 0.798 224 D CB 0.967 41.752 40.800 -0.025 0.000 1.169 224 D HN 0.837 nan 8.370 nan 0.000 0.449 225 K N -0.738 119.648 120.400 -0.023 0.000 2.685 225 K HA 0.733 5.053 4.320 0.000 0.000 0.290 225 K C -0.296 176.294 176.600 -0.017 0.000 1.018 225 K CA -0.506 55.767 56.287 -0.024 0.000 0.860 225 K CB 0.169 32.656 32.500 -0.021 0.000 1.498 225 K HN 0.126 nan 8.250 nan 0.000 0.390 226 K N 0.143 120.532 120.400 -0.018 0.000 2.140 226 K HA 0.813 5.133 4.320 0.000 0.000 0.237 226 K C 0.169 176.763 176.600 -0.009 0.000 1.045 226 K CA 0.720 57.000 56.287 -0.012 0.000 0.896 226 K CB 0.142 32.635 32.500 -0.013 0.000 1.122 226 K HN 0.904 nan 8.250 nan 0.000 0.503 227 I N 0.638 121.204 120.570 -0.007 0.000 2.926 227 I HA 0.280 4.450 4.170 0.000 0.000 0.295 227 I C 1.423 177.535 176.117 -0.009 0.000 1.463 227 I CA 0.094 61.390 61.300 -0.007 0.000 0.892 227 I CB 0.591 38.589 38.000 -0.004 0.000 1.874 227 I HN 0.816 nan 8.210 nan 0.000 0.620 228 S N 2.414 118.108 115.700 -0.010 0.000 2.396 228 S HA -0.055 4.415 4.470 0.000 0.000 0.204 228 S C 1.667 176.259 174.600 -0.014 0.000 1.060 228 S CA 1.684 59.877 58.200 -0.012 0.000 1.098 228 S CB -0.552 62.642 63.200 -0.011 0.000 1.022 228 S HN 0.537 nan 8.310 nan 0.000 0.413 229 N N 0.026 118.718 118.700 -0.013 0.000 2.230 229 N HA 0.500 5.240 4.740 0.000 0.000 0.202 229 N C 1.203 176.706 175.510 -0.013 0.000 1.119 229 N CA 0.724 53.766 53.050 -0.013 0.000 0.851 229 N CB -0.650 37.830 38.487 -0.013 0.000 0.990 229 N HN 0.962 nan 8.380 nan 0.000 0.497 230 I N -0.288 120.275 120.570 -0.012 0.000 3.528 230 I HA 0.393 4.563 4.170 0.000 0.000 0.298 230 I C 2.601 178.711 176.117 -0.012 0.000 1.281 230 I CA 1.144 62.438 61.300 -0.011 0.000 1.269 230 I CB -2.480 35.513 38.000 -0.011 0.000 1.013 230 I HN 0.773 nan 8.210 nan 0.000 0.512 231 R N 0.911 121.403 120.500 -0.013 0.000 2.267 231 R HA -0.124 4.216 4.340 0.000 0.000 0.259 231 R C 1.319 177.611 176.300 -0.013 0.000 1.192 231 R CA 2.029 58.121 56.100 -0.013 0.000 1.013 231 R CB -2.224 28.066 30.300 -0.016 0.000 0.877 231 R HN 1.692 nan 8.270 nan 0.000 0.474 232 E N 0.122 120.315 120.200 -0.012 0.000 2.585 232 E HA 0.353 4.703 4.350 0.000 0.000 0.252 232 E C 0.852 177.444 176.600 -0.013 0.000 0.981 232 E CA 0.934 57.326 56.400 -0.013 0.000 0.943 232 E CB -0.669 29.024 29.700 -0.012 0.000 0.923 232 E HN 1.335 nan 8.360 nan 0.000 0.486 233 M N -0.697 118.894 119.600 -0.014 0.000 5.720 233 M HA 0.007 4.487 4.480 0.000 0.000 0.685 233 M C 0.388 176.678 176.300 -0.018 0.000 2.399 233 M CA -0.054 55.236 55.300 -0.015 0.000 0.334 233 M CB -0.995 31.598 32.600 -0.013 0.000 1.967 233 M HN 0.334 nan 8.290 nan 0.000 0.745 234 L N 2.136 123.349 121.223 -0.016 0.000 2.197 234 L HA -0.053 4.287 4.340 0.000 0.000 0.215 234 L C -0.475 176.382 176.870 -0.022 0.000 1.095 234 L CA 2.639 57.469 54.840 -0.017 0.000 0.764 234 L CB -2.137 39.913 42.059 -0.015 0.000 0.897 234 L HN 0.403 nan 8.230 nan 0.000 0.436 235 P HA -0.167 nan 4.420 nan 0.000 0.213 235 P C 1.879 179.154 177.300 -0.041 0.000 1.170 235 P CA 1.684 64.766 63.100 -0.030 0.000 0.898 235 P CB -0.035 31.648 31.700 -0.028 0.000 0.787 236 V N 0.875 120.764 119.914 -0.043 0.000 2.324 236 V HA -0.239 3.881 4.120 0.000 0.000 0.250 236 V C 2.832 178.891 176.094 -0.060 0.000 1.060 236 V CA 1.700 63.965 62.300 -0.059 0.000 1.042 236 V CB -1.471 30.325 31.823 -0.046 0.000 0.650 236 V HN 0.035 nan 8.190 nan 0.000 0.450 237 L N 0.560 121.762 121.223 -0.036 0.000 1.937 237 L HA -0.210 4.130 4.340 0.000 0.000 0.213 237 L C 2.967 179.822 176.870 -0.026 0.000 1.077 237 L CA 2.565 57.392 54.840 -0.022 0.000 0.758 237 L CB -0.914 41.138 42.059 -0.012 0.000 0.888 237 L HN 0.430 nan 8.230 nan 0.000 0.433 238 E N 0.011 120.197 120.200 -0.023 0.000 2.233 238 E HA -0.291 4.059 4.350 0.000 0.000 0.199 238 E C 1.960 178.541 176.600 -0.031 0.000 1.004 238 E CA 1.758 58.146 56.400 -0.020 0.000 0.819 238 E CB -1.183 28.506 29.700 -0.019 0.000 0.738 238 E HN 0.795 nan 8.360 nan 0.000 0.478 239 A N 0.047 122.834 122.820 -0.055 0.000 1.933 239 A HA 0.055 4.375 4.320 0.000 0.000 0.218 239 A C 2.675 180.197 177.584 -0.103 0.000 1.175 239 A CA 1.844 53.829 52.037 -0.086 0.000 0.628 239 A CB -0.182 18.744 19.000 -0.122 0.000 0.814 239 A HN 0.556 nan 8.150 nan 0.000 0.444 240 V N -0.743 119.116 119.914 -0.092 0.000 2.599 240 V HA -0.035 4.085 4.120 0.000 0.000 0.245 240 V C 2.933 179.055 176.094 0.047 0.000 1.046 240 V CA 1.201 63.480 62.300 -0.034 0.000 1.065 240 V CB -1.059 30.780 31.823 0.027 0.000 0.703 240 V HN 0.562 nan 8.190 nan 0.000 0.464 241 A N 0.539 123.373 122.820 0.024 0.000 1.948 241 A HA -0.295 4.025 4.320 0.000 0.000 0.220 241 A C 2.324 179.926 177.584 0.029 0.000 1.177 241 A CA 2.358 54.413 52.037 0.029 0.000 0.636 241 A CB -0.473 18.535 19.000 0.013 0.000 0.815 241 A HN 0.404 nan 8.150 nan 0.000 0.449 242 K N 0.161 120.570 120.400 0.016 0.000 2.007 242 K HA 0.011 4.331 4.320 0.000 0.000 0.206 242 K C 2.084 178.707 176.600 0.038 0.000 1.047 242 K CA 1.585 57.881 56.287 0.016 0.000 0.937 242 K CB -0.746 31.752 32.500 -0.003 0.000 0.718 242 K HN 0.330 nan 8.250 nan 0.000 0.438 243 A N 0.310 123.163 122.820 0.054 0.000 2.125 243 A HA 0.036 4.356 4.320 0.000 0.000 0.219 243 A C 1.372 179.037 177.584 0.135 0.000 1.156 243 A CA 1.587 53.694 52.037 0.117 0.000 0.671 243 A CB -0.879 18.241 19.000 0.200 0.000 0.794 243 A HN 0.638 nan 8.150 nan 0.000 0.459 244 G N -0.948 107.918 108.800 0.110 0.000 2.273 244 G HA2 -0.245 3.715 3.960 0.000 0.000 0.280 244 G HA3 -0.245 3.715 3.960 0.000 0.000 0.280 244 G C -0.030 174.929 174.900 0.098 0.000 1.047 244 G CA 0.681 45.833 45.100 0.086 0.000 0.869 244 G HN 0.457 nan 8.290 nan 0.000 0.502 245 K N 0.329 120.831 120.400 0.170 0.000 2.259 245 K HA 0.524 4.844 4.320 0.000 0.000 0.249 245 K C -2.152 174.522 176.600 0.123 0.000 0.942 245 K CA -2.040 54.312 56.287 0.108 0.000 0.816 245 K CB 2.519 35.038 32.500 0.032 0.000 1.155 245 K HN 0.118 nan 8.250 nan 0.000 0.428 246 P HA 0.107 nan 4.420 nan 0.000 0.271 246 P C -0.625 176.732 177.300 0.096 0.000 1.233 246 P CA -0.455 62.675 63.100 0.051 0.000 0.789 246 P CB 0.815 32.520 31.700 0.009 0.000 0.951 247 L N 2.441 123.724 121.223 0.101 0.000 2.408 247 L HA 0.441 4.781 4.340 0.000 0.000 0.268 247 L C -1.082 175.844 176.870 0.092 0.000 0.986 247 L CA -1.064 53.853 54.840 0.129 0.000 0.820 247 L CB 1.868 44.008 42.059 0.136 0.000 1.303 247 L HN 0.297 nan 8.230 nan 0.000 0.411 248 L N 5.189 126.467 121.223 0.091 0.000 2.329 248 L HA 0.614 4.954 4.340 0.000 0.000 0.279 248 L C -1.136 175.783 176.870 0.083 0.000 1.014 248 L CA -0.383 54.504 54.840 0.077 0.000 0.814 248 L CB 1.865 43.956 42.059 0.053 0.000 1.257 248 L HN 0.535 nan 8.230 nan 0.000 0.424 249 I N 5.203 125.825 120.570 0.086 0.000 2.646 249 I HA 0.572 4.742 4.170 0.000 0.000 0.299 249 I C -0.277 175.900 176.117 0.098 0.000 1.036 249 I CA -0.332 61.017 61.300 0.081 0.000 1.074 249 I CB 2.107 40.147 38.000 0.066 0.000 1.258 249 I HN 0.407 nan 8.210 nan 0.000 0.430 250 I N 3.687 124.310 120.570 0.088 0.000 2.692 250 I HA 0.858 5.028 4.170 0.000 0.000 0.293 250 I C -0.395 175.758 176.117 0.061 0.000 1.200 250 I CA -0.404 60.957 61.300 0.101 0.000 1.036 250 I CB 1.962 40.045 38.000 0.139 0.000 1.258 250 I HN 0.817 nan 8.210 nan 0.000 0.421 251 A N 3.963 126.808 122.820 0.041 0.000 2.351 251 A HA 0.417 4.737 4.320 0.000 0.000 0.296 251 A C -0.077 177.503 177.584 -0.007 0.000 1.028 251 A CA -0.484 51.561 52.037 0.013 0.000 0.575 251 A CB 0.348 19.354 19.000 0.011 0.000 1.461 251 A HN 0.569 nan 8.150 nan 0.000 0.589 252 E N 0.030 120.218 120.200 -0.021 0.000 2.130 252 E HA 0.106 4.456 4.350 0.000 0.000 0.196 252 E C 0.350 176.937 176.600 -0.022 0.000 0.998 252 E CA 2.383 58.763 56.400 -0.034 0.000 0.806 252 E CB -0.010 29.666 29.700 -0.041 0.000 0.738 252 E HN 0.698 nan 8.360 nan 0.000 0.459 253 D N -3.497 116.898 120.400 -0.009 0.000 2.943 253 D HA 0.140 4.780 4.640 0.000 0.000 0.331 253 D C -1.914 174.390 176.300 0.006 0.000 1.375 253 D CA -0.355 53.644 54.000 -0.000 0.000 0.746 253 D CB 0.499 41.296 40.800 -0.005 0.000 1.322 253 D HN -0.222 nan 8.370 nan 0.000 0.454 254 V N 1.144 121.063 119.914 0.009 0.000 2.697 254 V HA 0.470 4.591 4.120 0.000 0.000 0.300 254 V C -0.792 175.303 176.094 0.002 0.000 1.115 254 V CA -0.770 61.534 62.300 0.007 0.000 0.912 254 V CB 1.544 33.376 31.823 0.015 0.000 1.024 254 V HN 0.512 nan 8.190 nan 0.000 0.431 255 E N 2.090 122.287 120.200 -0.005 0.000 2.318 255 E HA 0.520 4.870 4.350 0.000 0.000 0.265 255 E C 1.379 177.967 176.600 -0.019 0.000 1.069 255 E CA 0.553 56.947 56.400 -0.010 0.000 0.893 255 E CB 1.335 31.029 29.700 -0.011 0.000 1.076 255 E HN 0.705 nan 8.360 nan 0.000 0.414 256 G N 1.489 110.274 108.800 -0.025 0.000 2.469 256 G HA2 -0.363 3.597 3.960 0.000 0.000 0.220 256 G HA3 -0.363 3.597 3.960 0.000 0.000 0.220 256 G C 1.272 176.141 174.900 -0.052 0.000 1.136 256 G CA 0.902 45.974 45.100 -0.046 0.000 0.759 256 G HN 0.597 nan 8.290 nan 0.000 0.562 257 E N 1.100 121.278 120.200 -0.037 0.000 2.086 257 E HA -0.274 4.076 4.350 0.000 0.000 0.205 257 E C 2.706 179.283 176.600 -0.038 0.000 1.027 257 E CA 1.824 58.203 56.400 -0.035 0.000 0.830 257 E CB -0.470 29.215 29.700 -0.025 0.000 0.751 257 E HN 0.358 nan 8.360 nan 0.000 0.456 258 A N 0.927 123.728 122.820 -0.032 0.000 1.854 258 A HA -0.070 4.250 4.320 0.000 0.000 0.214 258 A C 2.561 180.120 177.584 -0.042 0.000 1.192 258 A CA 1.240 53.260 52.037 -0.029 0.000 0.611 258 A CB -0.774 18.215 19.000 -0.018 0.000 0.832 258 A HN 0.281 nan 8.150 nan 0.000 0.442 259 L N -0.391 120.802 121.223 -0.049 0.000 1.956 259 L HA -0.275 4.065 4.340 0.000 0.000 0.216 259 L C 3.091 179.887 176.870 -0.123 0.000 1.073 259 L CA 1.428 56.223 54.840 -0.075 0.000 0.762 259 L CB -1.020 40.993 42.059 -0.076 0.000 0.889 259 L HN 0.455 nan 8.230 nan 0.000 0.433 260 A N -0.138 122.598 122.820 -0.141 0.000 1.877 260 A HA -0.410 3.910 4.320 0.000 0.000 0.218 260 A C 2.405 179.908 177.584 -0.134 0.000 1.301 260 A CA 3.489 55.424 52.037 -0.171 0.000 0.699 260 A CB -1.565 17.362 19.000 -0.123 0.000 0.844 260 A HN 0.496 nan 8.150 nan 0.000 0.464 261 T N -1.146 113.356 114.554 -0.087 0.000 2.653 261 T HA -0.237 4.113 4.350 0.000 0.000 0.268 261 T C 1.787 176.452 174.700 -0.059 0.000 1.035 261 T CA 2.171 64.233 62.100 -0.063 0.000 1.154 261 T CB -0.578 68.264 68.868 -0.043 0.000 0.862 261 T HN 0.534 nan 8.240 nan 0.000 0.441 262 L N 1.382 122.571 121.223 -0.057 0.000 2.021 262 L HA -0.079 4.261 4.340 0.000 0.000 0.215 262 L C 2.552 179.394 176.870 -0.047 0.000 1.074 262 L CA 1.877 56.693 54.840 -0.040 0.000 0.760 262 L CB -1.155 40.884 42.059 -0.034 0.000 0.889 262 L HN 0.275 nan 8.230 nan 0.000 0.433 263 V N -0.825 119.035 119.914 -0.090 0.000 2.215 263 V HA -0.377 3.743 4.120 0.000 0.000 0.249 263 V C 2.503 178.566 176.094 -0.053 0.000 1.054 263 V CA 2.202 64.443 62.300 -0.098 0.000 1.012 263 V CB -1.057 30.625 31.823 -0.235 0.000 0.639 263 V HN 0.385 nan 8.190 nan 0.000 0.448 264 V N 0.707 120.583 119.914 -0.063 0.000 2.380 264 V HA -0.296 3.824 4.120 0.000 0.000 0.251 264 V C 2.329 178.412 176.094 -0.017 0.000 1.063 264 V CA 2.230 64.510 62.300 -0.034 0.000 1.055 264 V CB -1.059 30.741 31.823 -0.038 0.000 0.657 264 V HN 0.579 nan 8.190 nan 0.000 0.455 265 N N 0.847 119.536 118.700 -0.018 0.000 2.043 265 N HA -0.174 4.566 4.740 0.000 0.000 0.193 265 N C 2.140 177.653 175.510 0.005 0.000 1.037 265 N CA 2.465 55.512 53.050 -0.006 0.000 0.851 265 N CB -0.639 37.844 38.487 -0.006 0.000 1.027 265 N HN 0.732 nan 8.380 nan 0.000 0.422 266 T N -1.053 113.505 114.554 0.008 0.000 2.833 266 T HA -0.079 4.271 4.350 0.000 0.000 0.269 266 T C 2.024 176.737 174.700 0.022 0.000 1.054 266 T CA 0.906 63.018 62.100 0.021 0.000 1.135 266 T CB -0.085 68.800 68.868 0.028 0.000 0.869 266 T HN -0.097 nan 8.240 nan 0.000 0.466 267 M N 2.026 121.636 119.600 0.016 0.000 2.091 267 M HA 0.151 4.631 4.480 0.000 0.000 0.259 267 M C 3.133 179.443 176.300 0.016 0.000 1.076 267 M CA 2.378 57.690 55.300 0.019 0.000 1.111 267 M CB -1.299 31.309 32.600 0.014 0.000 1.291 267 M HN 0.401 nan 8.290 nan 0.000 0.417 268 R N 0.105 120.611 120.500 0.010 0.000 2.316 268 R HA 0.141 4.481 4.340 0.000 0.000 0.232 268 R C 1.666 177.973 176.300 0.011 0.000 1.137 268 R CA 1.673 57.778 56.100 0.009 0.000 1.012 268 R CB -2.139 28.163 30.300 0.004 0.000 0.859 268 R HN 0.933 nan 8.270 nan 0.000 0.474 269 G N -1.265 107.543 108.800 0.014 0.000 2.134 269 G HA2 -0.205 3.755 3.960 0.000 0.000 0.209 269 G HA3 -0.205 3.755 3.960 0.000 0.000 0.209 269 G C 0.957 175.866 174.900 0.016 0.000 0.993 269 G CA 0.330 45.440 45.100 0.016 0.000 0.669 269 G HN 0.496 nan 8.290 nan 0.000 0.519 270 I N -0.338 120.240 120.570 0.014 0.000 2.193 270 I HA 0.131 4.301 4.170 0.000 0.000 0.240 270 I C 1.202 177.332 176.117 0.021 0.000 1.084 270 I CA 1.829 63.137 61.300 0.014 0.000 1.365 270 I CB -0.041 37.964 38.000 0.008 0.000 1.064 270 I HN 0.491 nan 8.210 nan 0.000 0.410 271 V N -1.438 118.490 119.914 0.024 0.000 2.674 271 V HA 0.314 4.435 4.120 0.000 0.000 0.279 271 V C -0.762 175.354 176.094 0.037 0.000 1.051 271 V CA -1.139 61.182 62.300 0.034 0.000 0.912 271 V CB 0.799 32.642 31.823 0.033 0.000 1.044 271 V HN 0.100 nan 8.190 nan 0.000 0.464 272 K N 3.433 123.858 120.400 0.041 0.000 2.382 272 K HA 0.642 4.962 4.320 0.000 0.000 0.286 272 K C -0.461 176.170 176.600 0.052 0.000 1.062 272 K CA 0.047 56.360 56.287 0.043 0.000 1.000 272 K CB 1.234 33.756 32.500 0.038 0.000 0.954 272 K HN 0.669 nan 8.250 nan 0.000 0.470 273 V N 0.663 120.609 119.914 0.053 0.000 3.112 273 V HA 0.857 4.977 4.120 0.000 0.000 0.310 273 V C -1.064 175.071 176.094 0.068 0.000 1.364 273 V CA -1.024 61.312 62.300 0.061 0.000 1.058 273 V CB 2.050 33.906 31.823 0.055 0.000 1.079 273 V HN 0.862 nan 8.190 nan 0.000 0.463 274 A N -0.079 122.787 122.820 0.076 0.000 2.517 274 A HA 0.959 5.279 4.320 0.000 0.000 0.296 274 A C -1.285 176.359 177.584 0.100 0.000 0.983 274 A CA 0.043 52.136 52.037 0.094 0.000 0.634 274 A CB 0.785 19.872 19.000 0.144 0.000 1.341 274 A HN 2.455 nan 8.150 nan 0.000 0.438 275 A N -0.548 122.339 122.820 0.112 0.000 2.594 275 A HA 0.947 5.267 4.320 0.000 0.000 0.295 275 A C -0.674 176.996 177.584 0.143 0.000 1.071 275 A CA -0.013 52.092 52.037 0.113 0.000 0.685 275 A CB 1.249 20.296 19.000 0.079 0.000 1.285 275 A HN 2.431 nan 8.150 nan 0.000 0.405 276 V N -0.859 119.148 119.914 0.155 0.000 2.876 276 V HA 0.708 4.828 4.120 0.000 0.000 0.312 276 V C -0.142 176.026 176.094 0.124 0.000 1.085 276 V CA -0.968 61.433 62.300 0.168 0.000 0.945 276 V CB 1.468 33.432 31.823 0.236 0.000 1.017 276 V HN 1.143 nan 8.190 nan 0.000 0.428 277 K N 2.256 122.693 120.400 0.061 0.000 2.286 277 K HA 0.575 4.895 4.320 0.000 0.000 0.256 277 K C 0.634 177.193 176.600 -0.067 0.000 0.999 277 K CA 0.451 56.737 56.287 -0.000 0.000 0.908 277 K CB 0.995 33.477 32.500 -0.030 0.000 0.981 277 K HN 1.198 nan 8.250 nan 0.000 0.500 278 A N 3.234 126.001 122.820 -0.088 0.000 2.372 278 A HA 0.243 4.563 4.320 0.000 0.000 0.271 278 A C -1.758 175.606 177.584 -0.366 0.000 1.470 278 A CA -0.917 51.030 52.037 -0.149 0.000 0.827 278 A CB -0.817 18.156 19.000 -0.044 0.000 1.405 278 A HN 0.731 nan 8.150 nan 0.000 0.536 279 P HA -0.011 nan 4.420 nan 0.000 0.203 279 P C 1.102 178.292 177.300 -0.184 0.000 0.967 279 P CA 2.287 65.211 63.100 -0.293 0.000 0.946 279 P CB 0.009 31.647 31.700 -0.104 0.000 0.690 280 G N -3.051 105.707 108.800 -0.071 0.000 2.704 280 G HA2 0.152 4.112 3.960 0.000 0.000 0.151 280 G HA3 0.152 4.112 3.960 0.000 0.000 0.151 280 G C -0.631 174.303 174.900 0.057 0.000 1.372 280 G CA -0.021 45.074 45.100 -0.009 0.000 0.765 280 G HN 0.246 nan 8.290 nan 0.000 0.680 281 F N 2.533 122.452 119.950 -0.051 0.000 2.380 281 F HA 0.567 5.094 4.527 0.000 0.000 0.325 281 F C 1.577 177.355 175.800 -0.035 0.000 1.136 281 F CA 0.213 58.189 58.000 -0.040 0.000 1.171 281 F CB 1.511 40.487 39.000 -0.040 0.000 1.230 281 F HN 0.326 nan 8.300 nan 0.000 0.554 282 G N 1.982 110.014 108.800 -1.280 0.000 2.721 282 G HA2 -0.325 3.635 3.960 0.000 0.000 0.218 282 G HA3 -0.325 3.635 3.960 0.000 0.000 0.218 282 G C 1.172 175.808 174.900 -0.439 0.000 1.265 282 G CA 1.268 45.856 45.100 -0.854 0.000 0.796 282 G HN 0.742 nan 8.290 nan 0.000 0.620 283 D N 0.005 120.206 120.400 -0.331 0.000 2.218 283 D HA -0.068 4.572 4.640 0.000 0.000 0.204 283 D C 2.281 178.632 176.300 0.085 0.000 0.976 283 D CA 0.649 54.663 54.000 0.024 0.000 0.853 283 D CB -0.079 40.843 40.800 0.202 0.000 0.939 283 D HN 0.365 nan 8.370 nan 0.000 0.481 284 R N 1.513 122.120 120.500 0.178 0.000 2.127 284 R HA -0.162 4.178 4.340 0.000 0.000 0.219 284 R C 2.546 178.872 176.300 0.042 0.000 1.133 284 R CA 1.504 57.679 56.100 0.126 0.000 0.890 284 R CB -0.150 30.262 30.300 0.186 0.000 0.804 284 R HN 0.075 nan 8.270 nan 0.000 0.443 285 R N 0.939 121.446 120.500 0.012 0.000 2.179 285 R HA -0.249 4.091 4.340 0.000 0.000 0.238 285 R C 2.174 178.473 176.300 -0.002 0.000 1.119 285 R CA 2.409 58.502 56.100 -0.013 0.000 0.915 285 R CB -0.967 29.304 30.300 -0.049 0.000 0.870 285 R HN 0.319 nan 8.270 nan 0.000 0.432 286 K N 0.695 121.080 120.400 -0.025 0.000 2.089 286 K HA -0.181 4.139 4.320 0.000 0.000 0.210 286 K C 2.408 179.010 176.600 0.003 0.000 1.048 286 K CA 1.829 58.105 56.287 -0.018 0.000 0.926 286 K CB -0.429 32.046 32.500 -0.041 0.000 0.714 286 K HN 0.459 nan 8.250 nan 0.000 0.448 287 A N 1.139 123.965 122.820 0.009 0.000 1.978 287 A HA -0.115 4.205 4.320 0.000 0.000 0.220 287 A C 1.263 178.863 177.584 0.026 0.000 1.170 287 A CA 1.197 53.245 52.037 0.018 0.000 0.636 287 A CB -0.299 18.716 19.000 0.025 0.000 0.810 287 A HN 0.231 nan 8.150 nan 0.000 0.448 288 M N -0.090 119.531 119.600 0.034 0.000 2.131 288 M HA 0.499 4.979 4.480 0.000 0.000 0.345 288 M C -0.244 176.093 176.300 0.063 0.000 1.060 288 M CA 0.082 55.413 55.300 0.052 0.000 1.011 288 M CB 0.941 33.583 32.600 0.070 0.000 1.328 288 M HN 0.299 nan 8.290 nan 0.000 0.396 289 L N -0.273 120.981 121.223 0.051 0.000 1.465 289 L HA -0.030 4.310 4.340 0.000 0.000 0.144 289 L C 1.527 178.421 176.870 0.039 0.000 1.333 289 L CA 0.047 54.919 54.840 0.053 0.000 1.203 289 L CB -0.307 41.777 42.059 0.042 0.000 2.504 289 L HN 0.393 nan 8.230 nan 0.000 0.485 290 Q N 1.816 121.634 119.800 0.029 0.000 2.062 290 Q HA -0.264 4.076 4.340 0.000 0.000 0.209 290 Q C 1.343 177.357 176.000 0.024 0.000 0.996 290 Q CA 2.526 58.342 55.803 0.023 0.000 0.859 290 Q CB -0.889 27.859 28.738 0.017 0.000 0.920 290 Q HN 0.728 nan 8.270 nan 0.000 0.415 291 D N 0.856 121.271 120.400 0.026 0.000 2.137 291 D HA -0.232 4.408 4.640 0.000 0.000 0.189 291 D C 1.712 178.026 176.300 0.023 0.000 0.998 291 D CA 1.777 55.792 54.000 0.024 0.000 0.839 291 D CB -0.708 40.110 40.800 0.029 0.000 0.962 291 D HN 0.330 nan 8.370 nan 0.000 0.446 292 I N 1.016 121.605 120.570 0.031 0.000 2.091 292 I HA -0.336 3.834 4.170 0.000 0.000 0.239 292 I C 2.691 178.821 176.117 0.021 0.000 1.061 292 I CA 1.503 62.817 61.300 0.025 0.000 1.317 292 I CB -0.701 37.326 38.000 0.045 0.000 1.031 292 I HN 0.179 nan 8.210 nan 0.000 0.401 293 A N 1.376 124.213 122.820 0.029 0.000 1.836 293 A HA -0.321 3.999 4.320 0.000 0.000 0.215 293 A C 2.470 180.068 177.584 0.022 0.000 1.214 293 A CA 3.576 55.630 52.037 0.028 0.000 0.636 293 A CB -1.639 17.378 19.000 0.028 0.000 0.847 293 A HN 0.559 nan 8.150 nan 0.000 0.451 294 T N -1.048 113.518 114.554 0.020 0.000 2.736 294 T HA -0.314 4.036 4.350 0.000 0.000 0.265 294 T C 1.784 176.492 174.700 0.013 0.000 1.031 294 T CA 1.961 64.071 62.100 0.016 0.000 1.155 294 T CB -0.914 67.963 68.868 0.014 0.000 0.849 294 T HN 0.414 nan 8.240 nan 0.000 0.471 295 L N 1.584 122.814 121.223 0.011 0.000 1.994 295 L HA -0.101 4.239 4.340 0.000 0.000 0.208 295 L C 2.850 179.722 176.870 0.003 0.000 1.071 295 L CA 2.285 57.127 54.840 0.004 0.000 0.745 295 L CB -0.796 41.262 42.059 -0.001 0.000 0.892 295 L HN 0.617 nan 8.230 nan 0.000 0.431 296 T N -2.996 111.562 114.554 0.007 0.000 3.148 296 T HA 0.201 4.551 4.350 0.000 0.000 0.253 296 T C 1.110 175.824 174.700 0.023 0.000 1.134 296 T CA 0.318 62.424 62.100 0.009 0.000 1.051 296 T CB -0.181 68.695 68.868 0.013 0.000 0.959 296 T HN 0.667 nan 8.240 nan 0.000 0.525 297 G N 0.320 109.134 108.800 0.023 0.000 2.401 297 G HA2 0.175 4.135 3.960 0.000 0.000 0.283 297 G HA3 0.175 4.135 3.960 0.000 0.000 0.283 297 G C 0.117 175.040 174.900 0.040 0.000 1.117 297 G CA -0.406 44.711 45.100 0.029 0.000 1.051 297 G HN 0.999 nan 8.290 nan 0.000 0.510 298 G N -1.170 107.652 108.800 0.035 0.000 2.600 298 G HA2 0.784 4.744 3.960 0.000 0.000 0.303 298 G HA3 0.784 4.744 3.960 0.000 0.000 0.303 298 G C -0.322 174.594 174.900 0.027 0.000 1.253 298 G CA -0.025 45.098 45.100 0.039 0.000 0.974 298 G HN 0.691 nan 8.290 nan 0.000 0.483 299 T N 1.339 115.907 114.554 0.023 0.000 3.053 299 T HA 0.343 4.693 4.350 0.000 0.000 0.363 299 T C 0.405 175.113 174.700 0.013 0.000 1.239 299 T CA -0.231 61.877 62.100 0.014 0.000 1.071 299 T CB 0.764 69.636 68.868 0.007 0.000 1.089 299 T HN 0.381 nan 8.240 nan 0.000 0.527 300 V N 4.198 124.121 119.914 0.016 0.000 2.752 300 V HA 0.001 4.121 4.120 0.000 0.000 0.306 300 V C 0.872 176.971 176.094 0.008 0.000 1.099 300 V CA 0.218 62.527 62.300 0.015 0.000 1.240 300 V CB 0.050 31.881 31.823 0.015 0.000 0.887 300 V HN 0.750 nan 8.190 nan 0.000 0.499 301 I N 4.875 125.449 120.570 0.006 0.000 2.278 301 I HA 0.085 4.255 4.170 0.000 0.000 0.296 301 I C 0.980 177.095 176.117 -0.003 0.000 1.121 301 I CA 0.042 61.342 61.300 0.000 0.000 1.267 301 I CB 0.886 38.885 38.000 -0.001 0.000 1.447 301 I HN 0.797 nan 8.210 nan 0.000 0.509 302 S N 4.645 120.343 115.700 -0.004 0.000 3.988 302 S HA -0.047 4.423 4.470 0.000 0.000 0.180 302 S C 1.389 175.983 174.600 -0.010 0.000 1.242 302 S CA -0.393 57.802 58.200 -0.007 0.000 0.947 302 S CB -0.185 63.012 63.200 -0.006 0.000 1.519 302 S HN 0.696 nan 8.310 nan 0.000 0.439 303 E N 2.073 122.266 120.200 -0.012 0.000 2.284 303 E HA -0.265 4.085 4.350 0.000 0.000 0.200 303 E C 0.959 177.550 176.600 -0.015 0.000 1.008 303 E CA 1.577 57.969 56.400 -0.014 0.000 0.829 303 E CB -0.034 29.657 29.700 -0.016 0.000 0.744 303 E HN 0.919 nan 8.360 nan 0.000 0.491 304 E N -0.772 119.418 120.200 -0.016 0.000 2.340 304 E HA 0.046 4.396 4.350 0.000 0.000 0.194 304 E C 0.779 177.372 176.600 -0.013 0.000 0.996 304 E CA 0.052 56.442 56.400 -0.017 0.000 0.869 304 E CB 0.339 30.026 29.700 -0.021 0.000 0.835 304 E HN 0.166 nan 8.360 nan 0.000 0.493 305 I N -0.593 119.970 120.570 -0.011 0.000 4.883 305 I HA 0.171 4.341 4.170 0.000 0.000 0.180 305 I C 1.569 177.681 176.117 -0.008 0.000 1.223 305 I CA -0.417 60.878 61.300 -0.009 0.000 1.616 305 I CB -0.578 37.418 38.000 -0.007 0.000 1.401 305 I HN -0.150 nan 8.210 nan 0.000 0.487 306 G N 1.168 109.964 108.800 -0.007 0.000 3.356 306 G HA2 0.360 4.320 3.960 0.000 0.000 0.239 306 G HA3 0.360 4.320 3.960 0.000 0.000 0.239 306 G C -0.077 174.819 174.900 -0.007 0.000 1.252 306 G CA 0.287 45.383 45.100 -0.006 0.000 1.611 306 G HN 0.237 nan 8.290 nan 0.000 0.580 307 M N -1.047 118.548 119.600 -0.008 0.000 2.644 307 M HA 0.470 4.950 4.480 0.000 0.000 0.273 307 M C -0.993 175.301 176.300 -0.010 0.000 1.253 307 M CA -0.664 54.631 55.300 -0.009 0.000 0.852 307 M CB 2.519 35.114 32.600 -0.008 0.000 1.708 307 M HN 0.148 nan 8.290 nan 0.000 0.471 308 E N -0.187 120.007 120.200 -0.010 0.000 2.421 308 E HA 0.480 4.830 4.350 0.000 0.000 0.265 308 E C -0.637 175.956 176.600 -0.011 0.000 0.990 308 E CA -0.935 55.459 56.400 -0.011 0.000 0.874 308 E CB 1.298 30.991 29.700 -0.011 0.000 1.646 308 E HN 0.310 nan 8.360 nan 0.000 0.451 309 L N 0.950 122.166 121.223 -0.012 0.000 1.877 309 L HA -0.200 4.140 4.340 0.000 0.000 0.239 309 L C 1.866 178.727 176.870 -0.014 0.000 1.081 309 L CA 1.638 56.471 54.840 -0.012 0.000 0.878 309 L CB -0.866 41.186 42.059 -0.012 0.000 0.909 309 L HN 0.566 nan 8.230 nan 0.000 0.434 310 E N -0.125 120.066 120.200 -0.015 0.000 2.253 310 E HA -0.218 4.132 4.350 0.000 0.000 0.202 310 E C 0.915 177.503 176.600 -0.020 0.000 1.014 310 E CA 0.816 57.205 56.400 -0.019 0.000 0.823 310 E CB -0.531 29.158 29.700 -0.018 0.000 0.736 310 E HN 0.107 nan 8.360 nan 0.000 0.478 311 K N 1.220 121.610 120.400 -0.017 0.000 1.964 311 K HA 0.127 4.447 4.320 0.000 0.000 0.206 311 K C -1.040 175.550 176.600 -0.018 0.000 1.151 311 K CA 0.630 56.907 56.287 -0.016 0.000 1.269 311 K CB -1.234 31.258 32.500 -0.013 0.000 1.112 311 K HN 0.149 nan 8.250 nan 0.000 0.231 312 A N 1.878 124.684 122.820 -0.023 0.000 2.449 312 A HA 0.222 4.542 4.320 0.000 0.000 0.304 312 A C -0.511 177.049 177.584 -0.040 0.000 1.004 312 A CA -0.804 51.217 52.037 -0.027 0.000 0.871 312 A CB 0.255 19.241 19.000 -0.023 0.000 1.092 312 A HN 0.317 nan 8.150 nan 0.000 0.364 313 T N 2.914 117.440 114.554 -0.045 0.000 2.874 313 T HA 0.444 4.794 4.350 0.000 0.000 0.281 313 T C 1.943 176.584 174.700 -0.097 0.000 0.994 313 T CA 0.166 62.228 62.100 -0.064 0.000 1.015 313 T CB 0.547 69.382 68.868 -0.054 0.000 1.028 313 T HN 1.471 nan 8.240 nan 0.000 0.523 314 L N 0.964 122.099 121.223 -0.146 0.000 2.187 314 L HA -0.086 4.254 4.340 0.000 0.000 0.213 314 L C 1.988 178.704 176.870 -0.257 0.000 1.100 314 L CA 1.492 56.173 54.840 -0.265 0.000 0.765 314 L CB -1.618 40.230 42.059 -0.352 0.000 0.904 314 L HN 0.662 nan 8.230 nan 0.000 0.437 315 E N -0.443 119.673 120.200 -0.139 0.000 2.208 315 E HA -0.163 4.187 4.350 0.000 0.000 0.193 315 E C 1.602 178.187 176.600 -0.026 0.000 0.988 315 E CA 1.115 57.476 56.400 -0.065 0.000 0.828 315 E CB -0.960 28.721 29.700 -0.031 0.000 0.763 315 E HN 0.513 nan 8.360 nan 0.000 0.478 316 D N 1.155 121.534 120.400 -0.036 0.000 2.133 316 D HA -0.111 4.529 4.640 0.000 0.000 0.195 316 D C 0.758 177.064 176.300 0.011 0.000 0.997 316 D CA 0.676 54.670 54.000 -0.011 0.000 0.840 316 D CB -0.206 40.584 40.800 -0.017 0.000 0.947 316 D HN 0.244 nan 8.370 nan 0.000 0.452 317 L N 0.599 121.822 121.223 0.001 0.000 2.536 317 L HA 0.027 4.367 4.340 0.000 0.000 0.294 317 L C 1.376 178.320 176.870 0.123 0.000 1.257 317 L CA 0.122 54.999 54.840 0.061 0.000 0.850 317 L CB 0.095 42.188 42.059 0.056 0.000 1.105 317 L HN -0.040 nan 8.230 nan 0.000 0.517 318 G N 0.921 109.800 108.800 0.131 0.000 2.491 318 G HA2 0.604 4.564 3.960 0.000 0.000 0.327 318 G HA3 0.604 4.564 3.960 0.000 0.000 0.327 318 G C -1.106 173.874 174.900 0.134 0.000 1.189 318 G CA -0.393 44.772 45.100 0.109 0.000 0.956 318 G HN 0.519 nan 8.290 nan 0.000 0.491 319 Q N -1.348 118.490 119.800 0.063 0.000 2.423 319 Q HA 0.775 5.115 4.340 0.000 0.000 0.278 319 Q C -0.455 175.518 176.000 -0.045 0.000 1.097 319 Q CA -0.429 55.362 55.803 -0.019 0.000 0.809 319 Q CB 2.476 31.177 28.738 -0.062 0.000 1.391 319 Q HN 0.955 nan 8.270 nan 0.000 0.428 320 A N 0.631 123.400 122.820 -0.085 0.000 2.594 320 A HA 0.469 4.789 4.320 0.000 0.000 0.295 320 A C -0.178 177.353 177.584 -0.087 0.000 1.071 320 A CA -0.716 51.279 52.037 -0.071 0.000 0.685 320 A CB 1.146 20.110 19.000 -0.059 0.000 1.285 320 A HN 0.641 nan 8.150 nan 0.000 0.405 321 K N -0.072 120.286 120.400 -0.070 0.000 2.032 321 K HA -0.160 4.160 4.320 0.000 0.000 0.218 321 K C 1.131 177.688 176.600 -0.072 0.000 1.054 321 K CA 2.206 58.453 56.287 -0.067 0.000 0.941 321 K CB 0.035 32.504 32.500 -0.051 0.000 0.720 321 K HN 0.644 nan 8.250 nan 0.000 0.449 322 R N -1.303 119.158 120.500 -0.064 0.000 2.921 322 R HA 0.257 4.597 4.340 0.000 0.000 0.268 322 R C -1.872 174.394 176.300 -0.057 0.000 1.008 322 R CA -0.446 55.618 56.100 -0.059 0.000 0.876 322 R CB 1.199 31.470 30.300 -0.048 0.000 1.395 322 R HN 0.010 nan 8.270 nan 0.000 0.443 323 V N -1.709 118.176 119.914 -0.049 0.000 3.202 323 V HA 0.853 4.973 4.120 0.000 0.000 0.306 323 V C -1.503 174.561 176.094 -0.050 0.000 1.283 323 V CA -0.704 61.563 62.300 -0.056 0.000 1.065 323 V CB 2.165 33.959 31.823 -0.049 0.000 1.079 323 V HN 0.417 nan 8.190 nan 0.000 0.448 324 V N 2.193 122.069 119.914 -0.063 0.000 2.655 324 V HA 0.678 4.798 4.120 0.000 0.000 0.301 324 V C -1.188 174.858 176.094 -0.080 0.000 1.082 324 V CA -0.045 62.217 62.300 -0.063 0.000 0.899 324 V CB 1.382 33.168 31.823 -0.062 0.000 1.014 324 V HN 0.826 nan 8.190 nan 0.000 0.429 325 I N 5.328 125.838 120.570 -0.099 0.000 2.730 325 I HA 0.638 4.808 4.170 0.000 0.000 0.298 325 I C -0.010 175.914 176.117 -0.322 0.000 1.089 325 I CA -0.306 60.900 61.300 -0.157 0.000 1.041 325 I CB 2.284 40.218 38.000 -0.111 0.000 1.235 325 I HN 0.757 nan 8.210 nan 0.000 0.423 326 N N 2.987 121.471 118.700 -0.361 0.000 3.369 326 N HA 0.366 5.106 4.740 0.000 0.000 0.362 326 N C -0.124 175.061 175.510 -0.542 0.000 1.523 326 N CA -0.662 52.118 53.050 -0.451 0.000 0.684 326 N CB 0.601 38.969 38.487 -0.197 0.000 1.796 326 N HN 0.241 nan 8.380 nan 0.000 0.641 327 K N -0.341 119.912 120.400 -0.244 0.000 2.476 327 K HA 0.261 4.581 4.320 0.000 0.000 0.196 327 K C -0.537 176.084 176.600 0.034 0.000 1.025 327 K CA 0.418 56.706 56.287 0.001 0.000 1.138 327 K CB 0.099 32.663 32.500 0.105 0.000 0.860 327 K HN 0.409 nan 8.250 nan 0.000 0.515 328 D N -1.501 118.895 120.400 -0.007 0.000 2.337 328 D HA 0.045 4.685 4.640 0.000 0.000 0.349 328 D C -0.303 176.032 176.300 0.058 0.000 1.123 328 D CA 0.246 54.265 54.000 0.032 0.000 0.887 328 D CB 1.155 41.969 40.800 0.024 0.000 1.396 328 D HN -0.058 nan 8.370 nan 0.000 0.510 329 T N 0.063 114.643 114.554 0.045 0.000 2.868 329 T HA 0.560 4.910 4.350 0.000 0.000 0.306 329 T C -0.844 173.901 174.700 0.074 0.000 1.224 329 T CA -0.291 61.874 62.100 0.108 0.000 1.012 329 T CB 2.809 71.716 68.868 0.065 0.000 1.221 329 T HN -0.286 nan 8.240 nan 0.000 0.499 330 T N 1.789 116.401 114.554 0.096 0.000 2.909 330 T HA 0.775 5.125 4.350 0.000 0.000 0.299 330 T C -0.983 173.565 174.700 -0.254 0.000 1.073 330 T CA -0.637 61.419 62.100 -0.074 0.000 0.999 330 T CB 1.959 70.808 68.868 -0.031 0.000 1.098 330 T HN 0.622 nan 8.240 nan 0.000 0.477 331 T N 1.956 116.386 114.554 -0.206 0.000 2.916 331 T HA 0.565 4.915 4.350 0.000 0.000 0.305 331 T C -0.799 173.802 174.700 -0.164 0.000 1.119 331 T CA -0.590 61.389 62.100 -0.201 0.000 1.008 331 T CB 1.161 69.957 68.868 -0.121 0.000 1.129 331 T HN 0.466 nan 8.240 nan 0.000 0.480 332 I N 3.121 123.596 120.570 -0.159 0.000 2.328 332 I HA 0.322 4.492 4.170 0.000 0.000 0.287 332 I C 1.367 177.434 176.117 -0.083 0.000 1.012 332 I CA -0.629 60.602 61.300 -0.115 0.000 1.195 332 I CB 1.240 39.172 38.000 -0.114 0.000 1.350 332 I HN 0.701 nan 8.210 nan 0.000 0.464 333 I N 3.691 124.220 120.570 -0.069 0.000 2.118 333 I HA -0.205 3.965 4.170 0.000 0.000 0.241 333 I C 0.399 176.486 176.117 -0.050 0.000 1.070 333 I CA 1.703 62.970 61.300 -0.055 0.000 1.327 333 I CB -0.013 37.958 38.000 -0.050 0.000 1.034 333 I HN 0.654 nan 8.210 nan 0.000 0.405 334 D N -0.297 120.072 120.400 -0.051 0.000 2.301 334 D HA 0.167 4.807 4.640 0.000 0.000 0.187 334 D C -0.528 175.748 176.300 -0.041 0.000 1.264 334 D CA -0.087 53.887 54.000 -0.042 0.000 0.849 334 D CB 0.747 41.525 40.800 -0.036 0.000 1.828 334 D HN 0.117 nan 8.370 nan 0.000 0.526 335 G N 2.099 110.878 108.800 -0.036 0.000 2.391 335 G HA2 0.397 4.357 3.960 0.000 0.000 0.305 335 G HA3 0.397 4.357 3.960 0.000 0.000 0.305 335 G C 0.530 175.419 174.900 -0.019 0.000 1.072 335 G CA -0.379 44.705 45.100 -0.027 0.000 1.016 335 G HN 0.372 nan 8.290 nan 0.000 0.418 336 V N 2.764 122.667 119.914 -0.020 0.000 2.450 336 V HA 0.322 4.442 4.120 0.000 0.000 0.264 336 V C 1.142 177.235 176.094 -0.002 0.000 0.996 336 V CA 0.831 63.123 62.300 -0.012 0.000 1.138 336 V CB -0.334 31.480 31.823 -0.014 0.000 1.051 336 V HN 0.807 nan 8.190 nan 0.000 0.470 337 G N 3.693 112.492 108.800 -0.002 0.000 2.704 337 G HA2 0.490 4.450 3.960 0.000 0.000 0.280 337 G HA3 0.490 4.450 3.960 0.000 0.000 0.280 337 G C -0.566 174.335 174.900 0.001 0.000 1.499 337 G CA -0.659 44.443 45.100 0.003 0.000 1.146 337 G HN 0.625 nan 8.290 nan 0.000 0.558 338 E N 1.235 121.437 120.200 0.003 0.000 2.641 338 E HA -0.103 4.247 4.350 0.000 0.000 0.272 338 E C 0.528 177.129 176.600 0.002 0.000 0.990 338 E CA 0.430 56.831 56.400 0.002 0.000 0.971 338 E CB 1.089 30.792 29.700 0.004 0.000 0.967 338 E HN 0.513 nan 8.360 nan 0.000 0.464 339 E N 1.465 121.666 120.200 0.001 0.000 2.152 339 E HA -0.131 4.219 4.350 0.000 0.000 0.192 339 E C 1.826 178.427 176.600 0.002 0.000 0.983 339 E CA 1.125 57.525 56.400 0.001 0.000 0.818 339 E CB -0.232 29.468 29.700 0.000 0.000 0.758 339 E HN 0.593 nan 8.360 nan 0.000 0.467 340 A N 1.038 123.860 122.820 0.003 0.000 1.948 340 A HA -0.194 4.126 4.320 0.000 0.000 0.220 340 A C 2.310 179.896 177.584 0.004 0.000 1.177 340 A CA 2.132 54.171 52.037 0.003 0.000 0.636 340 A CB -0.725 18.277 19.000 0.004 0.000 0.815 340 A HN 0.299 nan 8.150 nan 0.000 0.449 341 A N -0.198 122.625 122.820 0.005 0.000 1.855 341 A HA 0.097 4.417 4.320 0.000 0.000 0.213 341 A C 2.085 179.672 177.584 0.005 0.000 1.195 341 A CA 1.114 53.154 52.037 0.006 0.000 0.610 341 A CB -0.556 18.448 19.000 0.007 0.000 0.837 341 A HN 0.455 nan 8.150 nan 0.000 0.444 342 I N -0.473 120.099 120.570 0.004 0.000 2.032 342 I HA -0.349 3.821 4.170 0.000 0.000 0.231 342 I C 2.689 178.808 176.117 0.004 0.000 1.035 342 I CA 1.881 63.183 61.300 0.003 0.000 1.312 342 I CB -0.742 37.259 38.000 0.001 0.000 1.041 342 I HN 0.265 nan 8.210 nan 0.000 0.390 343 Q N 1.049 120.850 119.800 0.003 0.000 2.268 343 Q HA -0.157 4.183 4.340 0.000 0.000 0.210 343 Q C 2.082 178.085 176.000 0.005 0.000 0.988 343 Q CA 1.735 57.540 55.803 0.004 0.000 0.883 343 Q CB -0.983 27.756 28.738 0.003 0.000 0.911 343 Q HN 0.684 nan 8.270 nan 0.000 0.430 344 G N 0.266 109.069 108.800 0.005 0.000 2.484 344 G HA2 -0.273 3.687 3.960 0.000 0.000 0.215 344 G HA3 -0.273 3.687 3.960 0.000 0.000 0.215 344 G C 1.365 176.269 174.900 0.006 0.000 1.219 344 G CA 0.364 45.467 45.100 0.005 0.000 0.791 344 G HN 0.155 nan 8.290 nan 0.000 0.550 345 R N 0.135 120.639 120.500 0.007 0.000 2.249 345 R HA -0.040 4.300 4.340 0.000 0.000 0.230 345 R C 2.501 178.807 176.300 0.009 0.000 1.121 345 R CA 0.725 56.830 56.100 0.009 0.000 0.997 345 R CB -0.578 29.728 30.300 0.010 0.000 0.867 345 R HN 0.407 nan 8.270 nan 0.000 0.465 346 V N -0.048 119.870 119.914 0.007 0.000 2.374 346 V HA -0.057 4.063 4.120 0.000 0.000 0.241 346 V C 2.486 178.585 176.094 0.007 0.000 1.034 346 V CA 1.406 63.710 62.300 0.007 0.000 1.037 346 V CB -0.846 30.980 31.823 0.006 0.000 0.682 346 V HN 0.241 nan 8.190 nan 0.000 0.463 347 A N 1.412 124.236 122.820 0.006 0.000 1.927 347 A HA -0.328 3.992 4.320 0.000 0.000 0.220 347 A C 2.094 179.682 177.584 0.007 0.000 1.185 347 A CA 2.449 54.490 52.037 0.006 0.000 0.639 347 A CB -0.677 18.326 19.000 0.005 0.000 0.820 347 A HN 0.759 nan 8.150 nan 0.000 0.451 348 Q N -0.034 119.770 119.800 0.007 0.000 2.541 348 Q HA 0.136 4.476 4.340 0.000 0.000 0.215 348 Q C 1.164 177.169 176.000 0.008 0.000 0.977 348 Q CA 1.370 57.178 55.803 0.007 0.000 0.934 348 Q CB -0.735 28.007 28.738 0.007 0.000 0.988 348 Q HN 0.699 nan 8.270 nan 0.000 0.521 349 I N -0.441 120.135 120.570 0.009 0.000 3.603 349 I HA 0.030 4.200 4.170 0.000 0.000 0.297 349 I C 1.583 177.705 176.117 0.009 0.000 1.269 349 I CA -0.221 61.085 61.300 0.009 0.000 1.361 349 I CB -0.010 37.996 38.000 0.010 0.000 1.063 349 I HN 0.121 nan 8.210 nan 0.000 0.448 350 R N 0.852 121.357 120.500 0.008 0.000 2.127 350 R HA -0.204 4.136 4.340 0.000 0.000 0.238 350 R C 2.098 178.403 176.300 0.009 0.000 1.134 350 R CA 1.226 57.331 56.100 0.008 0.000 0.975 350 R CB -0.566 29.738 30.300 0.008 0.000 0.865 350 R HN 0.350 nan 8.270 nan 0.000 0.447 351 Q N 1.160 120.965 119.800 0.009 0.000 2.137 351 Q HA -0.063 4.277 4.340 0.000 0.000 0.198 351 Q C 1.844 177.849 176.000 0.009 0.000 0.960 351 Q CA 1.434 57.242 55.803 0.009 0.000 0.847 351 Q CB 0.027 28.770 28.738 0.008 0.000 0.915 351 Q HN 0.395 nan 8.270 nan 0.000 0.448 352 Q N -0.002 119.803 119.800 0.009 0.000 2.030 352 Q HA -0.135 4.205 4.340 0.000 0.000 0.204 352 Q C 2.068 178.074 176.000 0.011 0.000 0.986 352 Q CA 1.735 57.544 55.803 0.009 0.000 0.843 352 Q CB -0.254 28.490 28.738 0.009 0.000 0.904 352 Q HN 0.414 nan 8.270 nan 0.000 0.420 353 I N 1.532 122.109 120.570 0.012 0.000 2.053 353 I HA -0.286 3.884 4.170 0.000 0.000 0.227 353 I C 1.060 177.186 176.117 0.015 0.000 1.017 353 I CA 1.159 62.467 61.300 0.013 0.000 1.315 353 I CB -0.751 37.256 38.000 0.012 0.000 1.036 353 I HN 0.347 nan 8.210 nan 0.000 0.386 354 E N 2.725 122.933 120.200 0.013 0.000 2.026 354 E HA -0.004 4.346 4.350 0.000 0.000 0.249 354 E C -0.318 176.291 176.600 0.015 0.000 1.273 354 E CA 0.159 56.567 56.400 0.014 0.000 0.991 354 E CB -0.141 29.567 29.700 0.013 0.000 1.076 354 E HN 0.259 nan 8.360 nan 0.000 0.438 355 E N 2.188 122.399 120.200 0.017 0.000 2.248 355 E HA 0.404 4.754 4.350 0.000 0.000 0.267 355 E C -0.466 176.146 176.600 0.020 0.000 0.877 355 E CA -0.715 55.695 56.400 0.017 0.000 0.759 355 E CB 1.597 31.308 29.700 0.017 0.000 1.182 355 E HN 0.402 nan 8.360 nan 0.000 0.418 356 A N 3.222 126.053 122.820 0.018 0.000 2.223 356 A HA 0.091 4.411 4.320 0.000 0.000 0.222 356 A C 0.746 178.344 177.584 0.022 0.000 1.317 356 A CA 0.896 52.944 52.037 0.019 0.000 0.985 356 A CB -0.484 18.525 19.000 0.016 0.000 0.858 356 A HN 0.600 nan 8.150 nan 0.000 0.496 357 T N -2.363 112.206 114.554 0.026 0.000 3.019 357 T HA 0.091 4.441 4.350 0.000 0.000 0.247 357 T C 1.530 176.256 174.700 0.044 0.000 0.992 357 T CA 0.791 62.910 62.100 0.033 0.000 1.036 357 T CB 0.153 69.039 68.868 0.029 0.000 1.063 357 T HN 0.661 nan 8.240 nan 0.000 0.476 358 S N 1.186 116.910 115.700 0.040 0.000 4.077 358 S HA -0.301 4.169 4.470 0.000 0.000 0.529 358 S C 0.241 174.878 174.600 0.062 0.000 1.462 358 S CA 2.100 60.327 58.200 0.045 0.000 3.796 358 S CB -1.724 61.499 63.200 0.040 0.000 1.681 358 S HN 0.671 nan 8.310 nan 0.000 0.458 359 D N 0.131 120.572 120.400 0.067 0.000 2.383 359 D HA 0.241 4.881 4.640 0.000 0.000 0.252 359 D C 0.867 177.273 176.300 0.178 0.000 1.166 359 D CA 0.638 54.688 54.000 0.083 0.000 0.879 359 D CB 0.450 41.278 40.800 0.046 0.000 1.164 359 D HN 0.574 nan 8.370 nan 0.000 0.462 360 Y N 2.440 122.741 120.300 0.002 0.000 3.297 360 Y HA -0.385 4.165 4.550 0.000 0.000 0.442 360 Y C 1.093 176.992 175.900 -0.001 0.000 1.265 360 Y CA 1.819 59.917 58.100 -0.003 0.000 2.337 360 Y CB -1.662 36.792 38.460 -0.009 0.000 0.876 360 Y HN 0.632 nan 8.280 nan 0.000 0.487 361 D N -0.266 120.218 120.400 0.140 0.000 2.096 361 D HA -0.036 4.604 4.640 0.000 0.000 0.214 361 D C 1.894 178.220 176.300 0.044 0.000 0.974 361 D CA 1.890 55.916 54.000 0.044 0.000 0.890 361 D CB -0.231 40.593 40.800 0.039 0.000 1.016 361 D HN 0.417 nan 8.370 nan 0.000 0.447 362 R N 0.351 120.880 120.500 0.048 0.000 2.397 362 R HA -0.078 4.262 4.340 0.000 0.000 0.213 362 R C 1.768 178.094 176.300 0.044 0.000 1.102 362 R CA 0.688 56.811 56.100 0.038 0.000 1.040 362 R CB -0.189 30.132 30.300 0.034 0.000 0.844 362 R HN 0.498 nan 8.270 nan 0.000 0.478 363 E N 1.116 121.357 120.200 0.069 0.000 2.022 363 E HA -0.086 4.264 4.350 0.000 0.000 0.193 363 E C 1.493 178.130 176.600 0.063 0.000 0.969 363 E CA 0.656 57.102 56.400 0.077 0.000 0.834 363 E CB -0.015 29.766 29.700 0.136 0.000 0.798 363 E HN 0.172 nan 8.360 nan 0.000 0.467 364 K N 1.068 121.511 120.400 0.072 0.000 2.360 364 K HA -0.097 4.223 4.320 0.000 0.000 0.201 364 K C 2.091 178.706 176.600 0.025 0.000 1.046 364 K CA 0.445 56.758 56.287 0.043 0.000 0.940 364 K CB -0.052 32.454 32.500 0.010 0.000 0.748 364 K HN 0.139 nan 8.250 nan 0.000 0.465 365 L N 0.618 121.855 121.223 0.022 0.000 1.971 365 L HA -0.214 4.126 4.340 0.000 0.000 0.208 365 L C 1.940 178.822 176.870 0.020 0.000 1.083 365 L CA 1.335 56.185 54.840 0.017 0.000 0.753 365 L CB -0.157 41.911 42.059 0.015 0.000 0.893 365 L HN 0.048 nan 8.230 nan 0.000 0.436 366 Q N 0.283 120.096 119.800 0.020 0.000 2.325 366 Q HA -0.294 4.046 4.340 0.000 0.000 0.211 366 Q C 1.733 177.743 176.000 0.018 0.000 0.988 366 Q CA 1.788 57.601 55.803 0.016 0.000 0.887 366 Q CB -0.372 28.374 28.738 0.013 0.000 0.915 366 Q HN 0.565 nan 8.270 nan 0.000 0.440 367 E N 0.196 120.410 120.200 0.024 0.000 2.005 367 E HA -0.263 4.087 4.350 0.000 0.000 0.198 367 E C 2.028 178.645 176.600 0.028 0.000 1.010 367 E CA 1.190 57.607 56.400 0.028 0.000 0.825 367 E CB -0.097 29.625 29.700 0.037 0.000 0.769 367 E HN 0.265 nan 8.360 nan 0.000 0.456 368 R N 0.229 120.748 120.500 0.032 0.000 2.096 368 R HA -0.179 4.161 4.340 0.000 0.000 0.240 368 R C 2.356 178.669 176.300 0.023 0.000 1.139 368 R CA 1.776 57.895 56.100 0.033 0.000 0.952 368 R CB -0.449 29.872 30.300 0.034 0.000 0.854 368 R HN 0.180 nan 8.270 nan 0.000 0.436 369 V N 1.175 121.100 119.914 0.019 0.000 2.277 369 V HA -0.341 3.779 4.120 0.000 0.000 0.253 369 V C 2.564 178.664 176.094 0.011 0.000 1.067 369 V CA 2.216 64.524 62.300 0.013 0.000 1.047 369 V CB -1.007 30.823 31.823 0.012 0.000 0.649 369 V HN 0.587 nan 8.190 nan 0.000 0.447 370 A N -0.642 122.185 122.820 0.011 0.000 1.930 370 A HA -0.191 4.129 4.320 0.000 0.000 0.217 370 A C 2.246 179.833 177.584 0.006 0.000 1.175 370 A CA 1.767 53.809 52.037 0.008 0.000 0.627 370 A CB -0.394 18.611 19.000 0.008 0.000 0.815 370 A HN 0.571 nan 8.150 nan 0.000 0.443 371 K N -0.473 119.933 120.400 0.011 0.000 2.432 371 K HA 0.197 4.517 4.320 0.000 0.000 0.196 371 K C 0.875 177.476 176.600 0.002 0.000 1.038 371 K CA 0.348 56.639 56.287 0.007 0.000 0.986 371 K CB -0.083 32.427 32.500 0.017 0.000 0.782 371 K HN 0.439 nan 8.250 nan 0.000 0.485 372 L N -0.606 120.620 121.223 0.006 0.000 2.611 372 L HA 0.161 4.501 4.340 0.000 0.000 0.229 372 L C 1.182 178.052 176.870 -0.000 0.000 1.137 372 L CA 0.072 54.914 54.840 0.004 0.000 0.901 372 L CB 0.286 42.350 42.059 0.009 0.000 1.098 372 L HN 0.131 nan 8.230 nan 0.000 0.456 373 A N -1.338 121.481 122.820 -0.002 0.000 1.902 373 A HA 0.245 4.565 4.320 0.000 0.000 0.171 373 A C 1.030 178.612 177.584 -0.004 0.000 2.094 373 A CA 0.337 52.372 52.037 -0.003 0.000 1.626 373 A CB -0.845 18.154 19.000 -0.001 0.000 1.568 373 A HN 0.248 nan 8.150 nan 0.000 0.280 374 G N -0.188 108.611 108.800 -0.002 0.000 2.666 374 G HA2 0.570 4.530 3.960 0.000 0.000 0.207 374 G HA3 0.570 4.530 3.960 0.000 0.000 0.207 374 G C 0.419 175.317 174.900 -0.004 0.000 1.481 374 G CA 0.082 45.181 45.100 -0.003 0.000 1.071 374 G HN 1.423 nan 8.290 nan 0.000 0.572 375 G N -2.435 106.363 108.800 -0.003 0.000 2.642 375 G HA2 0.529 4.489 3.960 0.000 0.000 0.293 375 G HA3 0.529 4.489 3.960 0.000 0.000 0.293 375 G C -1.786 173.114 174.900 -0.001 0.000 1.341 375 G CA -0.345 44.753 45.100 -0.004 0.000 0.916 375 G HN 0.669 nan 8.290 nan 0.000 0.474 376 V N 0.272 120.186 119.914 -0.000 0.000 2.459 376 V HA 0.791 4.911 4.120 0.000 0.000 0.295 376 V C 0.302 176.397 176.094 0.002 0.000 1.029 376 V CA -0.510 61.792 62.300 0.004 0.000 0.874 376 V CB 1.214 33.043 31.823 0.010 0.000 0.985 376 V HN 1.199 nan 8.190 nan 0.000 0.438 377 A N 4.350 127.171 122.820 0.002 0.000 2.401 377 A HA 0.954 5.274 4.320 0.000 0.000 0.310 377 A C -1.168 176.418 177.584 0.003 0.000 1.075 377 A CA -0.591 51.446 52.037 0.001 0.000 0.746 377 A CB 2.008 21.007 19.000 -0.002 0.000 1.277 377 A HN 0.670 nan 8.150 nan 0.000 0.425 378 V N 2.532 122.448 119.914 0.004 0.000 2.841 378 V HA 0.490 4.610 4.120 0.000 0.000 0.310 378 V C -0.628 175.470 176.094 0.006 0.000 1.090 378 V CA -0.276 62.028 62.300 0.007 0.000 0.930 378 V CB 1.871 33.699 31.823 0.009 0.000 1.014 378 V HN 0.811 nan 8.190 nan 0.000 0.425 379 I N 3.278 123.853 120.570 0.008 0.000 2.562 379 I HA 0.534 4.704 4.170 0.000 0.000 0.301 379 I C -0.357 175.766 176.117 0.010 0.000 1.003 379 I CA -0.785 60.520 61.300 0.008 0.000 1.127 379 I CB 2.163 40.169 38.000 0.010 0.000 1.304 379 I HN 0.481 nan 8.210 nan 0.000 0.446 380 K N 4.806 125.211 120.400 0.008 0.000 2.413 380 K HA 0.515 4.835 4.320 0.000 0.000 0.257 380 K C -1.151 175.454 176.600 0.008 0.000 0.946 380 K CA -0.684 55.608 56.287 0.008 0.000 0.823 380 K CB 2.409 34.913 32.500 0.007 0.000 1.109 380 K HN 0.252 nan 8.250 nan 0.000 0.427 381 V N 2.147 122.066 119.914 0.009 0.000 2.583 381 V HA 0.257 4.377 4.120 0.000 0.000 0.287 381 V C 0.829 176.927 176.094 0.007 0.000 1.051 381 V CA -0.567 61.738 62.300 0.009 0.000 1.010 381 V CB 1.272 33.102 31.823 0.010 0.000 0.988 381 V HN 0.907 nan 8.190 nan 0.000 0.478 382 G N 2.791 111.594 108.800 0.005 0.000 2.377 382 G HA2 0.699 4.659 3.960 0.000 0.000 0.299 382 G HA3 0.699 4.659 3.960 0.000 0.000 0.299 382 G C -0.459 174.443 174.900 0.003 0.000 1.150 382 G CA 0.166 45.268 45.100 0.004 0.000 0.847 382 G HN 1.351 nan 8.290 nan 0.000 0.501 383 A N 0.432 123.254 122.820 0.003 0.000 2.583 383 A HA 0.717 5.037 4.320 0.000 0.000 0.298 383 A C 0.514 178.099 177.584 0.002 0.000 1.055 383 A CA 0.339 52.378 52.037 0.002 0.000 0.714 383 A CB 0.626 19.628 19.000 0.003 0.000 1.277 383 A HN 1.769 nan 8.150 nan 0.000 0.406 384 A N 1.020 123.840 122.820 0.001 0.000 1.854 384 A HA 0.360 4.680 4.320 0.000 0.000 0.214 384 A C 1.580 179.165 177.584 0.001 0.000 1.192 384 A CA 2.442 54.479 52.037 0.001 0.000 0.611 384 A CB -0.845 18.155 19.000 0.000 0.000 0.832 384 A HN 1.980 nan 8.150 nan 0.000 0.442 385 T N -3.634 110.920 114.554 0.001 0.000 2.888 385 T HA 0.441 4.791 4.350 0.000 0.000 0.283 385 T C 0.735 175.437 174.700 0.002 0.000 1.013 385 T CA 0.234 62.334 62.100 0.001 0.000 0.938 385 T CB 1.374 70.242 68.868 -0.000 0.000 1.298 385 T HN 0.318 nan 8.240 nan 0.000 0.580 386 E N -0.636 119.566 120.200 0.003 0.000 2.244 386 E HA 0.007 4.357 4.350 0.000 0.000 0.196 386 E C 2.015 178.618 176.600 0.004 0.000 0.939 386 E CA 0.515 56.918 56.400 0.005 0.000 0.884 386 E CB 0.135 29.840 29.700 0.007 0.000 0.850 386 E HN 0.548 nan 8.360 nan 0.000 0.481 387 V N -0.825 119.090 119.914 0.001 0.000 3.305 387 V HA -0.049 4.071 4.120 0.000 0.000 0.269 387 V C 1.766 177.859 176.094 -0.001 0.000 1.157 387 V CA 1.796 64.095 62.300 -0.001 0.000 1.157 387 V CB -0.204 31.616 31.823 -0.005 0.000 0.772 387 V HN 0.231 nan 8.190 nan 0.000 0.498 388 E N 0.012 120.212 120.200 0.000 0.000 2.132 388 E HA -0.075 4.275 4.350 0.000 0.000 0.193 388 E C 2.047 178.648 176.600 0.002 0.000 0.951 388 E CA 0.789 57.189 56.400 -0.000 0.000 0.843 388 E CB -0.078 29.622 29.700 -0.000 0.000 0.807 388 E HN 0.469 nan 8.360 nan 0.000 0.467 389 M N 1.439 121.041 119.600 0.004 0.000 2.260 389 M HA -0.159 4.321 4.480 0.000 0.000 0.261 389 M C 1.517 177.821 176.300 0.007 0.000 1.066 389 M CA 1.490 56.793 55.300 0.006 0.000 1.082 389 M CB 0.039 32.643 32.600 0.007 0.000 1.388 389 M HN -0.058 nan 8.290 nan 0.000 0.419 390 K N -0.314 120.090 120.400 0.006 0.000 1.979 390 K HA -0.175 4.145 4.320 0.000 0.000 0.213 390 K C 1.886 178.488 176.600 0.005 0.000 1.036 390 K CA 1.653 57.944 56.287 0.007 0.000 0.954 390 K CB -0.840 31.665 32.500 0.007 0.000 0.743 390 K HN 0.303 nan 8.250 nan 0.000 0.443 391 E N 1.920 122.121 120.200 0.002 0.000 2.095 391 E HA -0.301 4.049 4.350 0.000 0.000 0.212 391 E C 1.895 178.495 176.600 0.001 0.000 1.044 391 E CA 2.267 58.666 56.400 -0.001 0.000 0.857 391 E CB -0.209 29.489 29.700 -0.003 0.000 0.764 391 E HN 0.146 nan 8.360 nan 0.000 0.462 392 K N 0.754 121.155 120.400 0.002 0.000 1.971 392 K HA -0.200 4.120 4.320 0.000 0.000 0.221 392 K C 2.195 178.800 176.600 0.008 0.000 1.050 392 K CA 2.413 58.703 56.287 0.004 0.000 0.967 392 K CB -0.591 31.912 32.500 0.005 0.000 0.733 392 K HN 0.154 nan 8.250 nan 0.000 0.445 393 K N -0.397 120.009 120.400 0.010 0.000 2.228 393 K HA -0.215 4.105 4.320 0.000 0.000 0.205 393 K C 1.754 178.365 176.600 0.018 0.000 1.045 393 K CA 1.360 57.657 56.287 0.015 0.000 0.931 393 K CB -0.278 32.231 32.500 0.015 0.000 0.727 393 K HN 0.316 nan 8.250 nan 0.000 0.458 394 A N 1.527 124.353 122.820 0.010 0.000 1.828 394 A HA -0.181 4.139 4.320 0.000 0.000 0.215 394 A C 2.027 179.613 177.584 0.003 0.000 1.203 394 A CA 1.653 53.692 52.037 0.003 0.000 0.614 394 A CB -0.636 18.361 19.000 -0.005 0.000 0.844 394 A HN 0.346 nan 8.150 nan 0.000 0.445 395 R N -0.560 119.941 120.500 0.001 0.000 2.113 395 R HA -0.176 4.164 4.340 0.000 0.000 0.244 395 R C 1.988 178.299 176.300 0.019 0.000 1.142 395 R CA 1.725 57.827 56.100 0.002 0.000 0.953 395 R CB -1.093 29.208 30.300 0.002 0.000 0.860 395 R HN 0.400 nan 8.270 nan 0.000 0.438 396 V N 1.533 121.461 119.914 0.024 0.000 2.313 396 V HA -0.319 3.801 4.120 0.000 0.000 0.253 396 V C 2.161 178.295 176.094 0.066 0.000 1.070 396 V CA 2.207 64.528 62.300 0.036 0.000 1.057 396 V CB -0.583 31.259 31.823 0.031 0.000 0.653 396 V HN 0.423 nan 8.190 nan 0.000 0.450 397 E N -0.304 119.946 120.200 0.083 0.000 2.047 397 E HA -0.209 4.141 4.350 0.000 0.000 0.191 397 E C 1.987 178.745 176.600 0.263 0.000 0.987 397 E CA 1.303 57.812 56.400 0.183 0.000 0.799 397 E CB -0.290 29.517 29.700 0.179 0.000 0.752 397 E HN 0.623 nan 8.360 nan 0.000 0.449 398 D N 0.991 121.426 120.400 0.059 0.000 2.177 398 D HA -0.259 4.381 4.640 0.000 0.000 0.189 398 D C 1.906 178.273 176.300 0.111 0.000 1.002 398 D CA 1.912 55.912 54.000 -0.000 0.000 0.845 398 D CB -0.589 40.197 40.800 -0.024 0.000 0.960 398 D HN 0.204 nan 8.370 nan 0.000 0.447 399 A N 1.104 123.972 122.820 0.080 0.000 1.892 399 A HA -0.199 4.121 4.320 0.000 0.000 0.218 399 A C 2.169 179.810 177.584 0.095 0.000 1.188 399 A CA 1.491 53.570 52.037 0.070 0.000 0.631 399 A CB -0.931 18.096 19.000 0.044 0.000 0.822 399 A HN 0.326 nan 8.150 nan 0.000 0.447 400 L N -0.616 120.677 121.223 0.116 0.000 2.051 400 L HA -0.275 4.065 4.340 0.000 0.000 0.214 400 L C 2.303 179.197 176.870 0.040 0.000 1.076 400 L CA 3.003 57.884 54.840 0.068 0.000 0.758 400 L CB -1.405 40.688 42.059 0.057 0.000 0.890 400 L HN 0.603 nan 8.230 nan 0.000 0.433 401 H N -0.305 118.770 119.070 0.009 0.000 2.284 401 H HA 0.027 4.583 4.556 0.000 0.000 0.304 401 H C 2.239 177.574 175.328 0.011 0.000 1.069 401 H CA 1.446 57.500 56.048 0.011 0.000 1.327 401 H CB -0.669 29.100 29.762 0.013 0.000 1.387 401 H HN 0.443 nan 8.280 nan 0.000 0.498 402 A N 0.631 123.548 122.820 0.161 0.000 1.873 402 A HA -0.348 3.972 4.320 0.000 0.000 0.219 402 A C 2.596 180.213 177.584 0.055 0.000 1.269 402 A CA 3.670 55.757 52.037 0.083 0.000 0.671 402 A CB -1.643 17.393 19.000 0.059 0.000 0.842 402 A HN 0.684 nan 8.150 nan 0.000 0.460 403 T N -2.032 112.548 114.554 0.043 0.000 2.592 403 T HA -0.317 4.033 4.350 0.000 0.000 0.267 403 T C 1.914 176.624 174.700 0.017 0.000 1.060 403 T CA 1.696 63.811 62.100 0.024 0.000 1.167 403 T CB -0.604 68.274 68.868 0.016 0.000 0.863 403 T HN 0.473 nan 8.240 nan 0.000 0.431 404 R N 1.924 122.430 120.500 0.010 0.000 2.113 404 R HA -0.069 4.271 4.340 0.000 0.000 0.244 404 R C 2.924 179.233 176.300 0.014 0.000 1.142 404 R CA 1.846 57.945 56.100 -0.001 0.000 0.953 404 R CB -1.436 28.848 30.300 -0.026 0.000 0.860 404 R HN 0.672 nan 8.270 nan 0.000 0.438 405 A N 0.663 123.501 122.820 0.030 0.000 1.968 405 A HA 0.043 4.363 4.320 0.000 0.000 0.217 405 A C 2.367 179.965 177.584 0.022 0.000 1.169 405 A CA 1.478 53.534 52.037 0.032 0.000 0.638 405 A CB -0.378 18.650 19.000 0.047 0.000 0.812 405 A HN 0.370 nan 8.150 nan 0.000 0.446 406 A N -0.400 122.433 122.820 0.021 0.000 1.898 406 A HA 0.047 4.367 4.320 0.000 0.000 0.216 406 A C 2.204 179.795 177.584 0.011 0.000 1.181 406 A CA 1.657 53.703 52.037 0.015 0.000 0.620 406 A CB -0.870 18.139 19.000 0.015 0.000 0.819 406 A HN 0.341 nan 8.150 nan 0.000 0.442 407 V N 1.337 121.257 119.914 0.010 0.000 2.261 407 V HA -0.310 3.810 4.120 0.000 0.000 0.246 407 V C 2.567 178.666 176.094 0.007 0.000 1.047 407 V CA 2.408 64.712 62.300 0.007 0.000 1.015 407 V CB -1.077 30.749 31.823 0.005 0.000 0.642 407 V HN 0.911 nan 8.190 nan 0.000 0.446 408 E N 0.412 120.617 120.200 0.009 0.000 2.274 408 E HA -0.200 4.150 4.350 0.000 0.000 0.194 408 E C 1.764 178.369 176.600 0.008 0.000 0.996 408 E CA 1.455 57.860 56.400 0.009 0.000 0.840 408 E CB -0.045 29.661 29.700 0.011 0.000 0.772 408 E HN 0.718 nan 8.360 nan 0.000 0.491 409 E N 0.282 120.487 120.200 0.009 0.000 2.714 409 E HA 0.211 4.561 4.350 0.000 0.000 0.219 409 E C 0.207 176.810 176.600 0.005 0.000 0.979 409 E CA 0.273 56.677 56.400 0.006 0.000 1.092 409 E CB 0.672 30.375 29.700 0.005 0.000 1.049 409 E HN 0.356 nan 8.360 nan 0.000 0.487 410 G N 0.207 109.011 108.800 0.006 0.000 2.752 410 G HA2 -0.238 3.722 3.960 0.000 0.000 0.234 410 G HA3 -0.238 3.722 3.960 0.000 0.000 0.234 410 G C -0.202 174.702 174.900 0.006 0.000 1.367 410 G CA -0.294 44.810 45.100 0.006 0.000 0.879 410 G HN 0.739 nan 8.290 nan 0.000 0.563 411 V N -3.366 116.552 119.914 0.006 0.000 3.181 411 V HA 0.990 5.110 4.120 0.000 0.000 0.308 411 V C 0.534 176.632 176.094 0.007 0.000 1.214 411 V CA 0.093 62.397 62.300 0.007 0.000 1.053 411 V CB 1.224 33.052 31.823 0.008 0.000 1.069 411 V HN 2.520 nan 8.190 nan 0.000 0.441 412 V N -2.427 117.492 119.914 0.007 0.000 3.181 412 V HA 1.017 5.137 4.120 0.000 0.000 0.308 412 V C 0.309 176.409 176.094 0.010 0.000 1.214 412 V CA -0.716 61.590 62.300 0.009 0.000 1.053 412 V CB 1.286 33.113 31.823 0.007 0.000 1.069 412 V HN 2.195 nan 8.190 nan 0.000 0.441 413 A N 0.924 123.752 122.820 0.014 0.000 2.524 413 A HA 0.661 4.981 4.320 0.000 0.000 0.250 413 A C 0.949 178.540 177.584 0.011 0.000 1.078 413 A CA 0.608 52.654 52.037 0.015 0.000 0.761 413 A CB -0.446 18.569 19.000 0.024 0.000 1.012 413 A HN 1.996 nan 8.150 nan 0.000 0.500 414 G N 1.160 109.963 108.800 0.005 0.000 2.481 414 G HA2 0.465 4.425 3.960 0.000 0.000 0.251 414 G HA3 0.465 4.425 3.960 0.000 0.000 0.251 414 G C 1.278 176.180 174.900 0.003 0.000 1.492 414 G CA 0.056 45.157 45.100 0.003 0.000 1.060 414 G HN 2.244 nan 8.290 nan 0.000 0.553 415 G N -1.995 106.806 108.800 0.001 0.000 2.180 415 G HA2 0.180 4.140 3.960 0.000 0.000 0.263 415 G HA3 0.180 4.140 3.960 0.000 0.000 0.263 415 G C 1.514 176.423 174.900 0.014 0.000 0.989 415 G CA 1.278 46.383 45.100 0.008 0.000 0.692 415 G HN 2.474 nan 8.290 nan 0.000 0.526 416 G N -2.208 106.599 108.800 0.011 0.000 2.249 416 G HA2 -0.063 3.897 3.960 0.000 0.000 0.273 416 G HA3 -0.063 3.897 3.960 0.000 0.000 0.273 416 G C 1.298 176.207 174.900 0.016 0.000 1.036 416 G CA 1.414 46.521 45.100 0.012 0.000 0.824 416 G HN 1.830 nan 8.290 nan 0.000 0.504 417 V N -0.448 119.477 119.914 0.019 0.000 2.446 417 V HA 0.300 4.420 4.120 0.000 0.000 0.244 417 V C 2.900 179.010 176.094 0.027 0.000 1.039 417 V CA 2.244 64.560 62.300 0.027 0.000 1.045 417 V CB -0.339 31.502 31.823 0.029 0.000 0.681 417 V HN 1.190 nan 8.190 nan 0.000 0.459 418 A N 0.272 123.104 122.820 0.021 0.000 1.869 418 A HA -0.247 4.073 4.320 0.000 0.000 0.218 418 A C 2.118 179.711 177.584 0.016 0.000 1.203 418 A CA 2.570 54.618 52.037 0.018 0.000 0.638 418 A CB -0.921 18.086 19.000 0.012 0.000 0.831 418 A HN 0.515 nan 8.150 nan 0.000 0.450 419 L N -0.746 120.484 121.223 0.012 0.000 1.955 419 L HA -0.155 4.185 4.340 0.000 0.000 0.213 419 L C 2.455 179.333 176.870 0.014 0.000 1.072 419 L CA 2.070 56.915 54.840 0.009 0.000 0.755 419 L CB -0.592 41.471 42.059 0.006 0.000 0.888 419 L HN 0.539 nan 8.230 nan 0.000 0.432 420 I N -1.305 119.276 120.570 0.017 0.000 2.300 420 I HA -0.403 3.767 4.170 0.000 0.000 0.252 420 I C 2.675 178.807 176.117 0.026 0.000 1.119 420 I CA 1.164 62.477 61.300 0.021 0.000 1.384 420 I CB -0.042 37.974 38.000 0.026 0.000 1.062 420 I HN 0.248 nan 8.210 nan 0.000 0.426 421 R N 0.480 120.997 120.500 0.029 0.000 2.064 421 R HA -0.135 4.205 4.340 0.000 0.000 0.228 421 R C 2.307 178.621 176.300 0.023 0.000 1.144 421 R CA 2.149 58.269 56.100 0.033 0.000 0.932 421 R CB -1.188 29.135 30.300 0.037 0.000 0.833 421 R HN 0.443 nan 8.270 nan 0.000 0.429 422 V N 0.064 119.988 119.914 0.017 0.000 2.660 422 V HA -0.165 3.955 4.120 0.000 0.000 0.257 422 V C 1.873 177.973 176.094 0.011 0.000 1.088 422 V CA 2.071 64.378 62.300 0.012 0.000 1.106 422 V CB -0.914 30.913 31.823 0.007 0.000 0.686 422 V HN 0.356 nan 8.190 nan 0.000 0.481 423 A N 1.583 124.410 122.820 0.012 0.000 1.858 423 A HA -0.158 4.162 4.320 0.000 0.000 0.216 423 A C 2.659 180.250 177.584 0.011 0.000 1.190 423 A CA 2.664 54.708 52.037 0.011 0.000 0.617 423 A CB -1.261 17.746 19.000 0.011 0.000 0.827 423 A HN 1.082 nan 8.150 nan 0.000 0.443 424 S N 0.207 115.916 115.700 0.015 0.000 2.383 424 S HA -0.226 4.244 4.470 0.000 0.000 0.229 424 S C 1.765 176.372 174.600 0.012 0.000 1.030 424 S CA 1.621 59.830 58.200 0.014 0.000 1.002 424 S CB -0.481 62.731 63.200 0.019 0.000 0.829 424 S HN 0.594 nan 8.310 nan 0.000 0.467 425 K N 0.834 121.241 120.400 0.012 0.000 2.280 425 K HA 0.098 4.418 4.320 0.000 0.000 0.202 425 K C 1.207 177.811 176.600 0.007 0.000 1.047 425 K CA 1.024 57.317 56.287 0.009 0.000 0.942 425 K CB -0.338 32.167 32.500 0.009 0.000 0.739 425 K HN 0.471 nan 8.250 nan 0.000 0.457 426 L N -0.371 120.856 121.223 0.007 0.000 2.818 426 L HA 0.222 4.562 4.340 0.000 0.000 0.243 426 L C 1.728 178.601 176.870 0.005 0.000 1.185 426 L CA -0.326 54.517 54.840 0.005 0.000 0.988 426 L CB 0.202 42.264 42.059 0.004 0.000 1.292 426 L HN 0.004 nan 8.230 nan 0.000 0.519 427 A N 0.066 122.890 122.820 0.006 0.000 2.084 427 A HA -0.200 4.120 4.320 0.000 0.000 0.221 427 A C 1.482 179.068 177.584 0.004 0.000 1.161 427 A CA 1.705 53.746 52.037 0.005 0.000 0.653 427 A CB -0.227 18.777 19.000 0.006 0.000 0.802 427 A HN 0.410 nan 8.150 nan 0.000 0.457 428 D N -1.253 119.149 120.400 0.004 0.000 2.440 428 D HA 0.180 4.820 4.640 0.000 0.000 0.216 428 D C -0.104 176.198 176.300 0.003 0.000 1.150 428 D CA -0.335 53.667 54.000 0.003 0.000 0.832 428 D CB 0.187 40.989 40.800 0.003 0.000 0.992 428 D HN 0.323 nan 8.370 nan 0.000 0.502 429 L N 1.996 123.221 121.223 0.003 0.000 2.410 429 L HA 0.172 4.512 4.340 0.000 0.000 0.273 429 L C 0.099 176.971 176.870 0.003 0.000 1.152 429 L CA 0.439 55.281 54.840 0.003 0.000 0.855 429 L CB 0.153 42.214 42.059 0.003 0.000 1.129 429 L HN -0.201 nan 8.230 nan 0.000 0.463 430 R N 3.035 123.537 120.500 0.003 0.000 2.888 430 R HA 0.799 5.139 4.340 0.000 0.000 0.264 430 R C -0.432 175.870 176.300 0.003 0.000 1.045 430 R CA -0.491 55.610 56.100 0.003 0.000 0.962 430 R CB 1.520 31.822 30.300 0.003 0.000 1.210 430 R HN 0.814 nan 8.270 nan 0.000 0.479 431 G N -0.585 108.217 108.800 0.003 0.000 3.015 431 G HA2 0.259 4.219 3.960 0.000 0.000 0.281 431 G HA3 0.259 4.219 3.960 0.000 0.000 0.281 431 G C 0.062 174.964 174.900 0.004 0.000 1.386 431 G CA -0.431 44.671 45.100 0.004 0.000 0.959 431 G HN 0.409 nan 8.290 nan 0.000 0.522 432 Q N -0.440 119.362 119.800 0.004 0.000 2.248 432 Q HA -0.105 4.235 4.340 0.000 0.000 0.208 432 Q C 0.884 176.887 176.000 0.004 0.000 0.984 432 Q CA 1.647 57.452 55.803 0.004 0.000 0.875 432 Q CB -0.111 28.630 28.738 0.004 0.000 0.910 432 Q HN 0.618 nan 8.270 nan 0.000 0.433 433 N N -1.788 116.914 118.700 0.004 0.000 3.204 433 N HA 0.012 4.752 4.740 0.000 0.000 0.285 433 N C 0.268 175.780 175.510 0.004 0.000 1.536 433 N CA -0.327 52.725 53.050 0.004 0.000 0.832 433 N CB 0.961 39.450 38.487 0.004 0.000 1.645 433 N HN -0.209 nan 8.380 nan 0.000 0.586 434 E N 0.485 120.687 120.200 0.003 0.000 2.015 434 E HA -0.110 4.240 4.350 0.000 0.000 0.191 434 E C 0.581 177.183 176.600 0.004 0.000 0.991 434 E CA 1.850 58.252 56.400 0.003 0.000 0.802 434 E CB -0.652 29.050 29.700 0.003 0.000 0.759 434 E HN 0.587 nan 8.360 nan 0.000 0.447 435 D N 0.397 120.800 120.400 0.004 0.000 2.154 435 D HA -0.238 4.402 4.640 0.000 0.000 0.190 435 D C 2.022 178.325 176.300 0.005 0.000 1.003 435 D CA 1.778 55.781 54.000 0.005 0.000 0.849 435 D CB -0.332 40.471 40.800 0.005 0.000 0.942 435 D HN 0.329 nan 8.370 nan 0.000 0.446 436 Q N -0.327 119.476 119.800 0.005 0.000 2.152 436 Q HA -0.154 4.186 4.340 0.000 0.000 0.206 436 Q C 1.815 177.818 176.000 0.005 0.000 0.985 436 Q CA 1.062 56.868 55.803 0.005 0.000 0.863 436 Q CB -0.039 28.702 28.738 0.005 0.000 0.904 436 Q HN 0.359 nan 8.270 nan 0.000 0.422 437 N N -0.280 118.422 118.700 0.004 0.000 2.166 437 N HA -0.124 4.616 4.740 0.000 0.000 0.186 437 N C 1.870 177.382 175.510 0.004 0.000 1.019 437 N CA 1.102 54.154 53.050 0.004 0.000 0.856 437 N CB -0.278 38.211 38.487 0.003 0.000 0.993 437 N HN 0.075 nan 8.380 nan 0.000 0.426 438 V N 1.252 121.168 119.914 0.004 0.000 2.261 438 V HA -0.156 3.964 4.120 0.000 0.000 0.246 438 V C 2.586 178.683 176.094 0.005 0.000 1.047 438 V CA 2.077 64.380 62.300 0.004 0.000 1.015 438 V CB -1.399 30.426 31.823 0.004 0.000 0.642 438 V HN 0.321 nan 8.190 nan 0.000 0.446 439 G N -0.080 108.723 108.800 0.005 0.000 2.503 439 G HA2 -0.276 3.684 3.960 0.000 0.000 0.221 439 G HA3 -0.276 3.684 3.960 0.000 0.000 0.221 439 G C 1.520 176.424 174.900 0.006 0.000 1.131 439 G CA 1.416 46.520 45.100 0.006 0.000 0.756 439 G HN 0.498 nan 8.290 nan 0.000 0.572 440 I N -0.199 120.374 120.570 0.005 0.000 2.110 440 I HA -0.088 4.082 4.170 0.000 0.000 0.236 440 I C 2.750 178.870 176.117 0.005 0.000 1.068 440 I CA 1.243 62.545 61.300 0.005 0.000 1.333 440 I CB -0.268 37.735 38.000 0.004 0.000 1.054 440 I HN 0.003 nan 8.210 nan 0.000 0.402 441 K N 0.860 121.262 120.400 0.004 0.000 2.089 441 K HA -0.177 4.143 4.320 0.000 0.000 0.210 441 K C 1.870 178.473 176.600 0.005 0.000 1.048 441 K CA 1.259 57.549 56.287 0.004 0.000 0.926 441 K CB -0.810 31.693 32.500 0.004 0.000 0.714 441 K HN 0.145 nan 8.250 nan 0.000 0.448 442 V N 0.480 120.397 119.914 0.005 0.000 2.219 442 V HA -0.346 3.774 4.120 0.000 0.000 0.248 442 V C 2.224 178.322 176.094 0.006 0.000 1.053 442 V CA 2.218 64.521 62.300 0.005 0.000 1.009 442 V CB -1.021 30.806 31.823 0.006 0.000 0.636 442 V HN 0.455 nan 8.190 nan 0.000 0.445 443 A N -0.061 122.763 122.820 0.006 0.000 1.869 443 A HA -0.250 4.070 4.320 0.000 0.000 0.218 443 A C 2.205 179.792 177.584 0.005 0.000 1.203 443 A CA 2.463 54.504 52.037 0.006 0.000 0.638 443 A CB -0.825 18.178 19.000 0.005 0.000 0.831 443 A HN 0.523 nan 8.150 nan 0.000 0.450 444 L N -1.358 119.868 121.223 0.005 0.000 2.021 444 L HA -0.280 4.060 4.340 0.000 0.000 0.215 444 L C 2.827 179.701 176.870 0.006 0.000 1.074 444 L CA 2.100 56.943 54.840 0.005 0.000 0.760 444 L CB -0.643 41.419 42.059 0.006 0.000 0.889 444 L HN 0.450 nan 8.230 nan 0.000 0.433 445 R N 0.147 120.650 120.500 0.006 0.000 2.096 445 R HA -0.224 4.116 4.340 0.000 0.000 0.240 445 R C 2.337 178.640 176.300 0.005 0.000 1.139 445 R CA 1.742 57.846 56.100 0.005 0.000 0.952 445 R CB -0.356 29.947 30.300 0.005 0.000 0.854 445 R HN 0.408 nan 8.270 nan 0.000 0.436 446 A N 0.528 123.351 122.820 0.005 0.000 2.070 446 A HA -0.146 4.174 4.320 0.000 0.000 0.220 446 A C 1.996 179.584 177.584 0.006 0.000 1.159 446 A CA 1.405 53.445 52.037 0.006 0.000 0.656 446 A CB -0.410 18.594 19.000 0.007 0.000 0.800 446 A HN 0.363 nan 8.150 nan 0.000 0.453 447 M N -0.557 119.047 119.600 0.006 0.000 2.700 447 M HA -0.074 4.406 4.480 0.000 0.000 0.249 447 M C 1.013 177.317 176.300 0.007 0.000 1.082 447 M CA 0.892 56.196 55.300 0.006 0.000 1.077 447 M CB -0.345 32.259 32.600 0.006 0.000 1.477 447 M HN 0.441 nan 8.290 nan 0.000 0.529 448 E N 0.525 120.729 120.200 0.006 0.000 2.474 448 E HA 0.098 4.448 4.350 0.000 0.000 0.194 448 E C 2.007 178.609 176.600 0.003 0.000 1.041 448 E CA 0.194 56.598 56.400 0.006 0.000 0.874 448 E CB 0.151 29.854 29.700 0.005 0.000 0.914 448 E HN 0.483 nan 8.360 nan 0.000 0.498 449 A N 2.449 125.271 122.820 0.003 0.000 1.841 449 A HA -0.135 4.185 4.320 0.000 0.000 0.216 449 A C -0.316 177.269 177.584 0.002 0.000 1.199 449 A CA 1.311 53.349 52.037 0.002 0.000 0.621 449 A CB -1.541 17.461 19.000 0.004 0.000 0.835 449 A HN 0.104 nan 8.150 nan 0.000 0.445 450 P HA -0.212 nan 4.420 nan 0.000 0.215 450 P C 1.816 179.119 177.300 0.004 0.000 1.163 450 P CA 1.261 64.364 63.100 0.005 0.000 0.894 450 P CB -0.137 31.567 31.700 0.006 0.000 0.791 451 L N -0.129 121.097 121.223 0.005 0.000 1.956 451 L HA -0.233 4.107 4.340 0.000 0.000 0.216 451 L C 2.497 179.363 176.870 -0.006 0.000 1.073 451 L CA 2.034 56.877 54.840 0.005 0.000 0.762 451 L CB -0.520 41.543 42.059 0.006 0.000 0.889 451 L HN -0.059 nan 8.230 nan 0.000 0.433 452 R N -1.047 119.446 120.500 -0.012 0.000 2.357 452 R HA -0.128 4.212 4.340 0.000 0.000 0.202 452 R C 1.882 178.171 176.300 -0.018 0.000 1.047 452 R CA 0.543 56.629 56.100 -0.023 0.000 1.034 452 R CB -0.295 29.991 30.300 -0.023 0.000 0.875 452 R HN 0.451 nan 8.270 nan 0.000 0.473 453 Q N 1.383 121.178 119.800 -0.009 0.000 2.165 453 Q HA 0.103 4.443 4.340 0.000 0.000 0.197 453 Q C 2.094 178.091 176.000 -0.005 0.000 0.952 453 Q CA 0.986 56.785 55.803 -0.006 0.000 0.848 453 Q CB 0.018 28.755 28.738 -0.002 0.000 0.931 453 Q HN 0.418 nan 8.270 nan 0.000 0.470 454 I N 0.105 120.675 120.570 -0.000 0.000 2.151 454 I HA -0.320 3.850 4.170 0.000 0.000 0.243 454 I C 2.294 178.417 176.117 0.010 0.000 1.080 454 I CA 1.144 62.449 61.300 0.008 0.000 1.339 454 I CB -0.473 37.538 38.000 0.018 0.000 1.039 454 I HN -0.017 nan 8.210 nan 0.000 0.409 455 V N 0.525 120.435 119.914 -0.006 0.000 2.255 455 V HA -0.288 3.832 4.120 0.000 0.000 0.247 455 V C 2.396 178.474 176.094 -0.028 0.000 1.051 455 V CA 1.656 63.936 62.300 -0.035 0.000 1.018 455 V CB -0.591 31.168 31.823 -0.108 0.000 0.641 455 V HN 0.339 nan 8.190 nan 0.000 0.445 456 L N 0.704 121.911 121.223 -0.026 0.000 2.187 456 L HA -0.133 4.207 4.340 0.000 0.000 0.213 456 L C 1.822 178.687 176.870 -0.009 0.000 1.100 456 L CA 1.806 56.634 54.840 -0.019 0.000 0.765 456 L CB -1.264 40.785 42.059 -0.017 0.000 0.904 456 L HN 0.436 nan 8.230 nan 0.000 0.437 457 N N -2.297 116.401 118.700 -0.004 0.000 2.501 457 N HA -0.059 4.681 4.740 0.000 0.000 0.195 457 N C 0.657 176.170 175.510 0.005 0.000 1.213 457 N CA 0.306 53.356 53.050 0.000 0.000 0.864 457 N CB -0.036 38.451 38.487 0.001 0.000 0.999 457 N HN 0.339 nan 8.380 nan 0.000 0.454 458 C N -0.483 118.821 119.300 0.006 0.000 3.386 458 C HA 0.311 4.771 4.460 0.000 0.000 0.279 458 C C 1.454 176.449 174.990 0.008 0.000 1.508 458 C CA -0.572 58.456 59.018 0.016 0.000 1.801 458 C CB -0.468 27.298 27.740 0.042 0.000 2.798 458 C HN 0.528 nan 8.230 nan 0.000 0.605 459 G N 2.232 111.032 108.800 -0.001 0.000 2.305 459 G HA2 -0.218 3.742 3.960 0.000 0.000 0.287 459 G HA3 -0.218 3.742 3.960 0.000 0.000 0.287 459 G C -0.369 174.526 174.900 -0.009 0.000 1.036 459 G CA 0.526 45.624 45.100 -0.004 0.000 0.887 459 G HN 0.702 nan 8.290 nan 0.000 0.505 460 E N -0.186 120.000 120.200 -0.022 0.000 2.343 460 E HA 0.324 4.674 4.350 0.000 0.000 0.270 460 E C -0.366 176.197 176.600 -0.061 0.000 0.895 460 E CA -1.096 55.279 56.400 -0.042 0.000 0.767 460 E CB 1.119 30.781 29.700 -0.064 0.000 1.248 460 E HN 0.246 nan 8.360 nan 0.000 0.440 461 E N 2.350 122.513 120.200 -0.060 0.000 2.603 461 E HA -0.036 4.314 4.350 0.000 0.000 0.242 461 E C -1.971 174.582 176.600 -0.080 0.000 1.083 461 E CA -0.936 55.431 56.400 -0.055 0.000 0.950 461 E CB 0.043 29.718 29.700 -0.042 0.000 0.952 461 E HN 0.281 nan 8.360 nan 0.000 0.498 462 P HA -0.167 nan 4.420 nan 0.000 0.216 462 P C 1.480 178.747 177.300 -0.055 0.000 1.153 462 P CA 1.385 64.446 63.100 -0.065 0.000 0.848 462 P CB 0.221 31.897 31.700 -0.040 0.000 0.787 463 S N -1.357 114.321 115.700 -0.037 0.000 2.406 463 S HA -0.079 4.391 4.470 0.000 0.000 0.228 463 S C 2.023 176.608 174.600 -0.024 0.000 1.020 463 S CA 0.968 59.154 58.200 -0.025 0.000 0.965 463 S CB -1.630 61.561 63.200 -0.016 0.000 0.798 463 S HN -0.068 nan 8.310 nan 0.000 0.488 464 V N 1.779 121.674 119.914 -0.032 0.000 2.270 464 V HA -0.122 3.998 4.120 0.000 0.000 0.245 464 V C 2.606 178.690 176.094 -0.015 0.000 1.043 464 V CA 1.498 63.785 62.300 -0.021 0.000 1.014 464 V CB -0.722 31.089 31.823 -0.019 0.000 0.645 464 V HN 0.410 nan 8.190 nan 0.000 0.447 465 V N 0.292 120.168 119.914 -0.063 0.000 2.215 465 V HA -0.328 3.792 4.120 0.000 0.000 0.246 465 V C 2.740 178.844 176.094 0.016 0.000 1.047 465 V CA 2.350 64.613 62.300 -0.063 0.000 0.999 465 V CB -1.448 30.176 31.823 -0.332 0.000 0.635 465 V HN 0.566 nan 8.190 nan 0.000 0.450 466 A N 0.498 123.305 122.820 -0.022 0.000 1.935 466 A HA -0.413 3.907 4.320 0.000 0.000 0.224 466 A C 2.012 179.613 177.584 0.027 0.000 1.324 466 A CA 2.814 54.855 52.037 0.007 0.000 0.686 466 A CB -1.159 17.837 19.000 -0.006 0.000 0.837 466 A HN 0.682 nan 8.150 nan 0.000 0.481 467 N N -0.567 118.142 118.700 0.015 0.000 2.007 467 N HA -0.198 4.542 4.740 0.000 0.000 0.197 467 N C 2.103 177.629 175.510 0.027 0.000 1.050 467 N CA 2.891 55.951 53.050 0.016 0.000 0.856 467 N CB -1.314 37.176 38.487 0.004 0.000 1.050 467 N HN 0.791 nan 8.380 nan 0.000 0.423 468 T N -0.156 114.405 114.554 0.010 0.000 2.653 468 T HA -0.137 4.213 4.350 0.000 0.000 0.268 468 T C 2.136 176.884 174.700 0.080 0.000 1.035 468 T CA 1.947 64.031 62.100 -0.027 0.000 1.154 468 T CB -0.925 67.803 68.868 -0.233 0.000 0.862 468 T HN 0.000 nan 8.240 nan 0.000 0.441 469 V N 1.918 121.889 119.914 0.095 0.000 2.407 469 V HA -0.133 3.987 4.120 0.000 0.000 0.248 469 V C 2.790 178.976 176.094 0.153 0.000 1.055 469 V CA 2.043 64.411 62.300 0.113 0.000 1.049 469 V CB -0.617 31.261 31.823 0.092 0.000 0.662 469 V HN 0.574 nan 8.190 nan 0.000 0.455 470 K N 0.154 120.613 120.400 0.098 0.000 2.366 470 K HA 0.010 4.330 4.320 0.000 0.000 0.198 470 K C 2.156 178.804 176.600 0.080 0.000 1.044 470 K CA 0.958 57.293 56.287 0.080 0.000 0.973 470 K CB -0.324 32.204 32.500 0.046 0.000 0.767 470 K HN 0.558 nan 8.250 nan 0.000 0.475 471 G N 1.450 110.301 108.800 0.086 0.000 2.448 471 G HA2 -0.091 3.869 3.960 0.000 0.000 0.218 471 G HA3 -0.091 3.869 3.960 0.000 0.000 0.218 471 G C 0.829 175.756 174.900 0.045 0.000 1.135 471 G CA 0.507 45.635 45.100 0.048 0.000 0.784 471 G HN 0.343 nan 8.290 nan 0.000 0.543 472 G N -0.465 108.433 108.800 0.163 0.000 2.570 472 G HA2 0.451 4.411 3.960 0.000 0.000 0.276 472 G HA3 0.451 4.411 3.960 0.000 0.000 0.276 472 G C -0.878 174.081 174.900 0.097 0.000 1.346 472 G CA -0.225 44.940 45.100 0.108 0.000 1.034 472 G HN 0.277 nan 8.290 nan 0.000 0.512 473 D N -2.611 117.831 120.400 0.070 0.000 2.687 473 D HA 0.542 5.182 4.640 0.000 0.000 0.264 473 D C 1.135 177.495 176.300 0.100 0.000 1.091 473 D CA 0.390 54.426 54.000 0.061 0.000 1.123 473 D CB 0.678 41.483 40.800 0.008 0.000 1.407 473 D HN 0.743 nan 8.370 nan 0.000 0.591 474 G N 0.454 109.294 108.800 0.067 0.000 2.685 474 G HA2 -0.418 3.542 3.960 0.000 0.000 0.357 474 G HA3 -0.418 3.542 3.960 0.000 0.000 0.357 474 G C 0.281 175.238 174.900 0.095 0.000 1.272 474 G CA 0.874 46.015 45.100 0.068 0.000 0.972 474 G HN 0.672 nan 8.290 nan 0.000 0.550 475 N N -0.046 118.715 118.700 0.101 0.000 2.295 475 N HA 0.208 4.948 4.740 0.000 0.000 0.221 475 N C -0.098 175.508 175.510 0.160 0.000 1.129 475 N CA -0.292 52.820 53.050 0.103 0.000 0.836 475 N CB 0.316 38.845 38.487 0.071 0.000 1.040 475 N HN 0.438 nan 8.380 nan 0.000 0.494 476 Y N 1.960 122.290 120.300 0.051 0.000 2.526 476 Y HA 0.312 4.862 4.550 0.000 0.000 0.330 476 Y C 0.484 176.451 175.900 0.111 0.000 1.156 476 Y CA -0.049 58.096 58.100 0.076 0.000 1.419 476 Y CB 0.323 38.820 38.460 0.061 0.000 1.250 476 Y HN 0.041 nan 8.280 nan 0.000 0.540 477 G N 4.715 113.368 108.800 -0.246 0.000 2.673 477 G HA2 0.286 4.246 3.960 0.000 0.000 0.292 477 G HA3 0.286 4.246 3.960 0.000 0.000 0.292 477 G C -2.440 172.367 174.900 -0.154 0.000 1.450 477 G CA -1.003 43.993 45.100 -0.174 0.000 0.837 477 G HN 0.628 nan 8.290 nan 0.000 0.505 478 Y N 1.729 121.891 120.300 -0.230 0.000 2.319 478 Y HA 0.512 5.062 4.550 0.000 0.000 0.328 478 Y C 0.247 175.975 175.900 -0.287 0.000 1.133 478 Y CA -0.656 57.183 58.100 -0.434 0.000 1.265 478 Y CB 1.290 39.441 38.460 -0.515 0.000 1.218 478 Y HN 0.443 nan 8.280 nan 0.000 0.508 479 N N 4.729 122.905 118.700 -0.874 0.000 2.546 479 N HA 0.230 4.970 4.740 0.000 0.000 0.238 479 N C 0.271 175.290 175.510 -0.819 0.000 0.984 479 N CA 0.442 53.143 53.050 -0.582 0.000 0.935 479 N CB 1.361 39.604 38.487 -0.407 0.000 1.122 479 N HN 0.929 nan 8.380 nan 0.000 0.510 480 A N 3.964 126.549 122.820 -0.391 0.000 1.908 480 A HA -0.130 4.190 4.320 0.000 0.000 0.218 480 A C 2.087 179.574 177.584 -0.162 0.000 1.181 480 A CA 2.028 53.983 52.037 -0.138 0.000 0.627 480 A CB -0.738 18.288 19.000 0.043 0.000 0.818 480 A HN 0.714 nan 8.150 nan 0.000 0.445 481 A N -0.521 122.206 122.820 -0.156 0.000 1.877 481 A HA -0.120 4.200 4.320 0.000 0.000 0.216 481 A C 2.400 179.903 177.584 -0.135 0.000 1.186 481 A CA 2.626 54.595 52.037 -0.113 0.000 0.620 481 A CB -1.255 17.691 19.000 -0.091 0.000 0.822 481 A HN 0.869 nan 8.150 nan 0.000 0.443 482 T N -3.616 110.816 114.554 -0.202 0.000 3.065 482 T HA 0.187 4.537 4.350 0.000 0.000 0.252 482 T C 0.359 174.921 174.700 -0.229 0.000 1.099 482 T CA 0.776 62.767 62.100 -0.181 0.000 1.063 482 T CB -0.345 68.419 68.868 -0.172 0.000 0.948 482 T HN 0.593 nan 8.240 nan 0.000 0.506 483 E N 1.563 121.536 120.200 -0.378 0.000 2.476 483 E HA -0.174 4.176 4.350 0.000 0.000 0.251 483 E C -0.418 175.933 176.600 -0.415 0.000 1.130 483 E CA 0.839 57.013 56.400 -0.376 0.000 0.736 483 E CB -1.671 27.993 29.700 -0.059 0.000 1.298 483 E HN 0.977 nan 8.360 nan 0.000 0.400 484 E N -0.998 118.798 120.200 -0.674 0.000 2.352 484 E HA 0.430 4.780 4.350 0.000 0.000 0.280 484 E C -0.737 175.601 176.600 -0.436 0.000 0.930 484 E CA -0.948 55.231 56.400 -0.369 0.000 0.765 484 E CB 0.816 30.453 29.700 -0.105 0.000 1.219 484 E HN 0.028 nan 8.360 nan 0.000 0.434 485 Y N 1.178 121.432 120.300 -0.077 0.000 2.258 485 Y HA 0.644 5.194 4.550 0.000 0.000 0.345 485 Y C 1.383 177.274 175.900 -0.015 0.000 1.303 485 Y CA 1.213 59.254 58.100 -0.100 0.000 1.537 485 Y CB 0.920 39.325 38.460 -0.093 0.000 1.383 485 Y HN 0.938 nan 8.280 nan 0.000 0.606 486 G N -0.134 108.772 108.800 0.176 0.000 2.350 486 G HA2 -0.054 3.906 3.960 0.000 0.000 0.276 486 G HA3 -0.054 3.906 3.960 0.000 0.000 0.276 486 G C -1.779 173.231 174.900 0.183 0.000 1.313 486 G CA -1.139 44.101 45.100 0.233 0.000 0.903 486 G HN 0.608 nan 8.290 nan 0.000 0.490 487 N N 1.182 119.964 118.700 0.137 0.000 2.408 487 N HA 0.181 4.921 4.740 0.000 0.000 0.257 487 N C 1.822 177.360 175.510 0.047 0.000 1.064 487 N CA -0.526 52.585 53.050 0.103 0.000 0.952 487 N CB 0.818 39.355 38.487 0.082 0.000 1.093 487 N HN 0.401 nan 8.380 nan 0.000 0.490 488 M N 3.375 122.996 119.600 0.036 0.000 2.149 488 M HA -0.170 4.310 4.480 0.000 0.000 0.261 488 M C 1.491 177.796 176.300 0.009 0.000 1.064 488 M CA 1.089 56.394 55.300 0.007 0.000 1.102 488 M CB -0.543 32.062 32.600 0.008 0.000 1.369 488 M HN 0.540 nan 8.290 nan 0.000 0.408 489 I N 0.414 120.996 120.570 0.020 0.000 2.193 489 I HA -0.213 3.957 4.170 0.000 0.000 0.240 489 I C 1.847 177.971 176.117 0.012 0.000 1.084 489 I CA 1.247 62.556 61.300 0.015 0.000 1.365 489 I CB -1.504 36.508 38.000 0.019 0.000 1.064 489 I HN 0.251 nan 8.210 nan 0.000 0.410 490 D N 0.663 121.073 120.400 0.017 0.000 2.265 490 D HA -0.163 4.477 4.640 0.000 0.000 0.208 490 D C 2.088 178.391 176.300 0.006 0.000 0.977 490 D CA 1.062 55.071 54.000 0.014 0.000 0.871 490 D CB -0.042 40.771 40.800 0.021 0.000 0.925 490 D HN 0.393 nan 8.370 nan 0.000 0.485 491 M N -0.917 118.684 119.600 0.001 0.000 2.495 491 M HA 0.157 4.637 4.480 0.000 0.000 0.237 491 M C 1.153 177.444 176.300 -0.015 0.000 1.131 491 M CA 0.408 55.700 55.300 -0.013 0.000 1.032 491 M CB 0.644 33.227 32.600 -0.027 0.000 1.513 491 M HN -0.001 nan 8.290 nan 0.000 0.488 492 G N 2.311 111.107 108.800 -0.008 0.000 2.160 492 G HA2 -0.243 3.717 3.960 0.000 0.000 0.251 492 G HA3 -0.243 3.717 3.960 0.000 0.000 0.251 492 G C 0.077 174.971 174.900 -0.010 0.000 1.008 492 G CA -0.166 44.930 45.100 -0.007 0.000 0.724 492 G HN 0.550 nan 8.290 nan 0.000 0.514 493 I N 1.560 122.123 120.570 -0.012 0.000 2.243 493 I HA 0.314 4.484 4.170 0.000 0.000 0.289 493 I C 0.668 176.782 176.117 -0.006 0.000 1.140 493 I CA -0.336 60.955 61.300 -0.015 0.000 1.289 493 I CB 0.008 37.992 38.000 -0.026 0.000 1.498 493 I HN 0.040 nan 8.210 nan 0.000 0.561 494 L N 3.301 124.523 121.223 -0.002 0.000 2.322 494 L HA 0.579 4.919 4.340 0.000 0.000 0.279 494 L C -0.684 176.189 176.870 0.004 0.000 1.036 494 L CA -0.806 54.036 54.840 0.003 0.000 0.807 494 L CB 1.212 43.274 42.059 0.005 0.000 1.226 494 L HN 0.251 nan 8.230 nan 0.000 0.433 495 D N 3.260 123.664 120.400 0.006 0.000 2.408 495 D HA 0.292 4.932 4.640 0.000 0.000 0.243 495 D C -2.447 173.858 176.300 0.008 0.000 1.075 495 D CA -1.434 52.571 54.000 0.007 0.000 0.832 495 D CB 1.939 42.743 40.800 0.005 0.000 1.162 495 D HN 0.274 nan 8.370 nan 0.000 0.515 496 P HA -0.041 nan 4.420 nan 0.000 0.261 496 P C 0.851 178.155 177.300 0.007 0.000 1.203 496 P CA 0.006 63.113 63.100 0.012 0.000 0.767 496 P CB 0.716 32.428 31.700 0.020 0.000 0.785 497 T N 3.453 118.009 114.554 0.004 0.000 2.635 497 T HA -0.271 4.079 4.350 0.000 0.000 0.265 497 T C 1.674 176.369 174.700 -0.009 0.000 1.058 497 T CA 2.159 64.258 62.100 -0.002 0.000 1.162 497 T CB -0.484 68.383 68.868 -0.002 0.000 0.859 497 T HN 0.522 nan 8.240 nan 0.000 0.449 498 K N 0.754 121.151 120.400 -0.005 0.000 2.089 498 K HA -0.186 4.134 4.320 0.000 0.000 0.210 498 K C 2.419 179.009 176.600 -0.017 0.000 1.048 498 K CA 2.026 58.307 56.287 -0.010 0.000 0.926 498 K CB -0.428 32.075 32.500 0.006 0.000 0.714 498 K HN 0.436 nan 8.250 nan 0.000 0.448 499 V N -1.200 118.713 119.914 -0.001 0.000 2.270 499 V HA -0.179 3.941 4.120 0.000 0.000 0.245 499 V C 1.932 178.017 176.094 -0.016 0.000 1.043 499 V CA 2.286 64.587 62.300 0.003 0.000 1.014 499 V CB -1.284 30.549 31.823 0.017 0.000 0.645 499 V HN 0.300 nan 8.190 nan 0.000 0.447 500 T N 0.535 115.081 114.554 -0.013 0.000 2.721 500 T HA -0.240 4.110 4.350 0.000 0.000 0.268 500 T C 2.074 176.750 174.700 -0.039 0.000 1.038 500 T CA 2.326 64.415 62.100 -0.018 0.000 1.145 500 T CB -0.480 68.382 68.868 -0.011 0.000 0.858 500 T HN 0.551 nan 8.240 nan 0.000 0.459 501 R N 0.910 121.378 120.500 -0.054 0.000 2.062 501 R HA 0.011 4.351 4.340 0.000 0.000 0.229 501 R C 2.523 178.726 176.300 -0.162 0.000 1.128 501 R CA 1.546 57.594 56.100 -0.087 0.000 0.960 501 R CB -0.662 29.592 30.300 -0.077 0.000 0.855 501 R HN 0.320 nan 8.270 nan 0.000 0.432 502 S N 1.215 116.801 115.700 -0.191 0.000 2.356 502 S HA -0.128 4.342 4.470 0.000 0.000 0.223 502 S C 2.123 176.544 174.600 -0.298 0.000 1.032 502 S CA 1.288 59.250 58.200 -0.398 0.000 1.005 502 S CB -0.390 62.665 63.200 -0.241 0.000 0.867 502 S HN 0.549 nan 8.310 nan 0.000 0.449 503 A N 2.311 125.080 122.820 -0.085 0.000 1.884 503 A HA -0.137 4.183 4.320 0.000 0.000 0.219 503 A C 2.121 179.694 177.584 -0.018 0.000 1.197 503 A CA 1.588 53.625 52.037 -0.001 0.000 0.637 503 A CB -0.995 18.010 19.000 0.008 0.000 0.827 503 A HN 0.435 nan 8.150 nan 0.000 0.450 504 L N -0.216 120.977 121.223 -0.051 0.000 2.012 504 L HA -0.236 4.104 4.340 0.000 0.000 0.210 504 L C 2.546 179.385 176.870 -0.051 0.000 1.073 504 L CA 2.547 57.364 54.840 -0.039 0.000 0.748 504 L CB -1.351 40.683 42.059 -0.041 0.000 0.891 504 L HN 0.588 nan 8.230 nan 0.000 0.431 505 Q N -1.087 118.633 119.800 -0.134 0.000 1.942 505 Q HA -0.252 4.088 4.340 0.000 0.000 0.203 505 Q C 2.112 178.103 176.000 -0.014 0.000 0.987 505 Q CA 1.975 57.691 55.803 -0.145 0.000 0.844 505 Q CB -0.460 28.081 28.738 -0.327 0.000 0.911 505 Q HN 0.425 nan 8.270 nan 0.000 0.423 506 Y N 0.506 120.808 120.300 0.004 0.000 2.193 506 Y HA -0.253 4.297 4.550 0.000 0.000 0.285 506 Y C 2.410 178.311 175.900 0.003 0.000 1.166 506 Y CA 0.830 58.932 58.100 0.003 0.000 1.181 506 Y CB -1.204 37.258 38.460 0.002 0.000 0.976 506 Y HN 0.200 nan 8.280 nan 0.000 0.520 507 A N -0.011 122.900 122.820 0.152 0.000 1.858 507 A HA -0.102 4.218 4.320 0.000 0.000 0.216 507 A C 2.567 180.189 177.584 0.064 0.000 1.190 507 A CA 2.187 54.275 52.037 0.086 0.000 0.617 507 A CB -1.269 17.763 19.000 0.053 0.000 0.827 507 A HN 0.383 nan 8.150 nan 0.000 0.443 508 A N -0.912 121.938 122.820 0.049 0.000 1.858 508 A HA -0.129 4.191 4.320 0.000 0.000 0.216 508 A C 2.449 180.061 177.584 0.046 0.000 1.190 508 A CA 2.264 54.323 52.037 0.036 0.000 0.617 508 A CB -1.257 17.756 19.000 0.021 0.000 0.827 508 A HN 0.609 nan 8.150 nan 0.000 0.443 509 S N -0.795 114.945 115.700 0.067 0.000 2.399 509 S HA -0.250 4.220 4.470 0.000 0.000 0.235 509 S C 1.971 176.604 174.600 0.055 0.000 1.063 509 S CA 2.871 61.114 58.200 0.073 0.000 1.070 509 S CB -0.810 62.467 63.200 0.128 0.000 0.904 509 S HN 1.082 nan 8.310 nan 0.000 0.456 510 V N -0.730 119.216 119.914 0.054 0.000 2.341 510 V HA 0.341 4.461 4.120 0.000 0.000 0.240 510 V C 2.522 178.633 176.094 0.028 0.000 1.035 510 V CA 1.148 63.469 62.300 0.035 0.000 1.033 510 V CB -1.637 30.203 31.823 0.028 0.000 0.678 510 V HN 0.465 nan 8.190 nan 0.000 0.464 511 A N 1.748 124.586 122.820 0.030 0.000 1.909 511 A HA -0.206 4.114 4.320 0.000 0.000 0.221 511 A C 2.453 180.050 177.584 0.021 0.000 1.223 511 A CA 3.329 55.380 52.037 0.024 0.000 0.658 511 A CB -1.851 17.163 19.000 0.024 0.000 0.831 511 A HN 0.946 nan 8.150 nan 0.000 0.462 512 G N -0.525 108.289 108.800 0.023 0.000 2.586 512 G HA2 -0.287 3.673 3.960 0.000 0.000 0.218 512 G HA3 -0.287 3.673 3.960 0.000 0.000 0.218 512 G C 1.587 176.497 174.900 0.017 0.000 1.216 512 G CA 1.307 46.419 45.100 0.019 0.000 0.786 512 G HN 0.476 nan 8.290 nan 0.000 0.583 513 L N -0.498 120.737 121.223 0.019 0.000 1.971 513 L HA -0.149 4.191 4.340 0.000 0.000 0.215 513 L C 3.014 179.893 176.870 0.014 0.000 1.072 513 L CA 1.797 56.646 54.840 0.016 0.000 0.758 513 L CB -0.387 41.681 42.059 0.015 0.000 0.889 513 L HN 0.273 nan 8.230 nan 0.000 0.433 514 M N -0.011 119.598 119.600 0.015 0.000 2.116 514 M HA -0.279 4.201 4.480 0.000 0.000 0.255 514 M C 2.032 178.340 176.300 0.013 0.000 1.075 514 M CA 2.007 57.316 55.300 0.014 0.000 1.087 514 M CB -0.327 32.282 32.600 0.016 0.000 1.340 514 M HN 0.382 nan 8.290 nan 0.000 0.402 515 I N -2.193 118.385 120.570 0.013 0.000 3.444 515 I HA -0.019 4.151 4.170 0.000 0.000 0.287 515 I C 0.973 177.097 176.117 0.011 0.000 1.302 515 I CA 1.108 62.415 61.300 0.012 0.000 1.368 515 I CB -0.725 37.282 38.000 0.011 0.000 1.048 515 I HN 0.243 nan 8.210 nan 0.000 0.487 516 T N -2.201 112.360 114.554 0.012 0.000 3.214 516 T HA 0.256 4.606 4.350 0.000 0.000 0.264 516 T C 0.479 175.186 174.700 0.011 0.000 1.012 516 T CA -0.385 61.722 62.100 0.012 0.000 0.901 516 T CB -0.682 68.194 68.868 0.012 0.000 1.070 516 T HN 0.212 nan 8.240 nan 0.000 0.561 517 T N 2.198 116.758 114.554 0.010 0.000 2.869 517 T HA 0.378 4.728 4.350 0.000 0.000 0.295 517 T C 0.700 175.405 174.700 0.008 0.000 0.987 517 T CA -0.379 61.724 62.100 0.005 0.000 1.109 517 T CB 1.796 70.666 68.868 0.004 0.000 0.932 517 T HN 0.320 nan 8.240 nan 0.000 0.518 518 E N 0.390 120.594 120.200 0.007 0.000 2.536 518 E HA 0.204 4.554 4.350 0.000 0.000 0.220 518 E C -0.115 176.497 176.600 0.020 0.000 0.876 518 E CA -0.141 56.279 56.400 0.034 0.000 1.190 518 E CB 0.542 30.276 29.700 0.057 0.000 1.191 518 E HN 0.642 nan 8.360 nan 0.000 0.557 519 C N 0.253 119.510 119.300 -0.071 0.000 3.173 519 C HA 0.810 5.270 4.460 0.000 0.000 0.310 519 C C -1.681 173.200 174.990 -0.181 0.000 1.306 519 C CA -0.645 58.219 59.018 -0.257 0.000 1.426 519 C CB 0.772 28.238 27.740 -0.457 0.000 1.800 519 C HN 0.317 nan 8.230 nan 0.000 0.470 520 M N 4.219 123.700 119.600 -0.198 0.000 2.322 520 M HA 0.530 5.010 4.480 0.000 0.000 0.286 520 M C -1.210 175.152 176.300 0.102 0.000 1.111 520 M CA -0.421 54.885 55.300 0.010 0.000 0.941 520 M CB 2.136 34.828 32.600 0.154 0.000 1.671 520 M HN 0.455 nan 8.290 nan 0.000 0.470 521 V N 0.897 120.850 119.914 0.066 0.000 2.715 521 V HA 0.945 5.065 4.120 0.000 0.000 0.310 521 V C -0.191 175.890 176.094 -0.021 0.000 1.054 521 V CA -0.443 61.883 62.300 0.042 0.000 0.928 521 V CB 2.050 33.860 31.823 -0.023 0.000 1.007 521 V HN 0.958 nan 8.190 nan 0.000 0.437 522 T N 1.358 115.858 114.554 -0.090 0.000 2.686 522 T HA 0.295 4.645 4.350 0.000 0.000 0.308 522 T C -1.680 172.918 174.700 -0.170 0.000 1.667 522 T CA -0.580 61.400 62.100 -0.200 0.000 0.987 522 T CB 1.633 70.233 68.868 -0.447 0.000 1.652 522 T HN 0.715 nan 8.240 nan 0.000 0.496 523 D N 0.918 121.221 120.400 -0.161 0.000 2.371 523 D HA 0.479 5.119 4.640 0.000 0.000 0.242 523 D C 0.158 176.389 176.300 -0.115 0.000 1.218 523 D CA -0.135 53.800 54.000 -0.108 0.000 0.945 523 D CB 0.369 41.118 40.800 -0.085 0.000 1.137 523 D HN 0.406 nan 8.370 nan 0.000 0.464 524 L N 1.740 122.926 121.223 -0.061 0.000 2.418 524 L HA 0.322 4.662 4.340 0.000 0.000 0.265 524 L C -1.400 175.445 176.870 -0.041 0.000 1.143 524 L CA -1.554 53.264 54.840 -0.037 0.000 0.809 524 L CB 0.204 42.258 42.059 -0.008 0.000 1.124 524 L HN 0.385 nan 8.230 nan 0.000 0.456 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.087 63.100 -0.021 0.000 0.800 525 P CB 0.000 31.700 31.700 0.001 0.000 0.726