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 1sx3_1_B DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND AGVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTVAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.005 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 3 A N 1.717 124.537 122.820 0.000 0.000 2.555 3 A HA 0.498 4.818 4.320 0.000 0.000 0.233 3 A C 0.210 177.796 177.584 0.003 0.000 1.060 3 A CA 0.503 52.544 52.037 0.007 0.000 0.759 3 A CB -0.051 18.956 19.000 0.012 0.000 0.995 3 A HN 0.619 nan 8.150 nan 0.000 0.506 4 K N 1.368 121.776 120.400 0.012 0.000 2.208 4 K HA 0.394 4.714 4.320 0.000 0.000 0.247 4 K C -1.106 175.520 176.600 0.045 0.000 0.953 4 K CA -0.715 55.578 56.287 0.010 0.000 0.837 4 K CB 1.702 34.205 32.500 0.005 0.000 1.131 4 K HN 0.748 nan 8.250 nan 0.000 0.431 5 D N 1.176 121.614 120.400 0.064 0.000 2.177 5 D HA 0.339 4.979 4.640 0.000 0.000 0.247 5 D C -1.162 175.292 176.300 0.257 0.000 1.063 5 D CA -0.554 53.552 54.000 0.176 0.000 0.867 5 D CB 1.232 42.187 40.800 0.259 0.000 1.168 5 D HN 0.049 nan 8.370 nan 0.000 0.445 6 V N 4.436 124.465 119.914 0.191 0.000 2.483 6 V HA 0.397 4.517 4.120 0.000 0.000 0.297 6 V C 0.048 176.092 176.094 -0.083 0.000 1.027 6 V CA -0.807 61.523 62.300 0.051 0.000 0.855 6 V CB 1.664 33.478 31.823 -0.015 0.000 0.995 6 V HN 0.395 nan 8.190 nan 0.000 0.424 7 K N 3.922 124.178 120.400 -0.241 0.000 2.259 7 K HA 0.777 5.097 4.320 0.000 0.000 0.249 7 K C -1.530 174.798 176.600 -0.453 0.000 0.942 7 K CA -0.516 55.560 56.287 -0.351 0.000 0.816 7 K CB 2.490 34.612 32.500 -0.629 0.000 1.155 7 K HN 0.449 nan 8.250 nan 0.000 0.428 8 F N -0.088 119.817 119.950 -0.075 0.000 2.561 8 F HA 0.428 4.955 4.527 0.000 0.000 0.321 8 F C 1.188 176.960 175.800 -0.047 0.000 1.065 8 F CA 0.015 57.992 58.000 -0.038 0.000 0.934 8 F CB 1.849 40.834 39.000 -0.024 0.000 1.215 8 F HN 0.825 nan 8.300 nan 0.000 0.471 9 G N 1.994 110.898 108.800 0.174 0.000 2.634 9 G HA2 -0.399 3.561 3.960 0.000 0.000 0.309 9 G HA3 -0.399 3.561 3.960 0.000 0.000 0.309 9 G C 1.173 176.098 174.900 0.042 0.000 1.265 9 G CA 0.695 45.852 45.100 0.096 0.000 0.998 9 G HN 0.684 nan 8.290 nan 0.000 0.551 10 N N 0.781 119.497 118.700 0.028 0.000 2.094 10 N HA -0.143 4.597 4.740 0.000 0.000 0.191 10 N C 1.778 177.278 175.510 -0.016 0.000 1.023 10 N CA 1.990 55.043 53.050 0.005 0.000 0.857 10 N CB -0.369 38.120 38.487 0.002 0.000 1.013 10 N HN 0.536 nan 8.380 nan 0.000 0.426 11 D N 0.478 120.863 120.400 -0.024 0.000 2.149 11 D HA -0.097 4.543 4.640 0.000 0.000 0.198 11 D C 1.756 177.977 176.300 -0.132 0.000 0.990 11 D CA 1.032 54.986 54.000 -0.078 0.000 0.839 11 D CB -0.239 40.508 40.800 -0.089 0.000 0.948 11 D HN 0.309 nan 8.370 nan 0.000 0.460 12 A N 0.407 123.160 122.820 -0.111 0.000 1.898 12 A HA 0.110 4.431 4.320 0.000 0.000 0.214 12 A C 2.368 179.927 177.584 -0.041 0.000 1.183 12 A CA 1.705 53.669 52.037 -0.121 0.000 0.622 12 A CB -0.948 18.000 19.000 -0.086 0.000 0.824 12 A HN 0.280 nan 8.150 nan 0.000 0.444 13 G N 0.108 108.897 108.800 -0.019 0.000 2.440 13 G HA2 -0.213 3.747 3.960 0.000 0.000 0.218 13 G HA3 -0.213 3.747 3.960 0.000 0.000 0.218 13 G C 1.681 176.579 174.900 -0.004 0.000 1.154 13 G CA 2.078 47.177 45.100 -0.002 0.000 0.767 13 G HN 1.071 nan 8.290 nan 0.000 0.552 14 V N -0.580 119.324 119.914 -0.017 0.000 2.427 14 V HA -0.053 4.067 4.120 0.000 0.000 0.248 14 V C 2.489 178.580 176.094 -0.004 0.000 1.051 14 V CA 2.269 64.563 62.300 -0.011 0.000 1.048 14 V CB -0.397 31.417 31.823 -0.016 0.000 0.666 14 V HN 0.150 nan 8.190 nan 0.000 0.456 15 K N 0.116 120.509 120.400 -0.012 0.000 2.057 15 K HA -0.048 4.272 4.320 0.000 0.000 0.207 15 K C 2.210 178.842 176.600 0.053 0.000 1.049 15 K CA 2.160 58.464 56.287 0.027 0.000 0.931 15 K CB -0.587 31.937 32.500 0.040 0.000 0.714 15 K HN 0.536 nan 8.250 nan 0.000 0.440 16 M N 0.280 119.908 119.600 0.047 0.000 2.132 16 M HA -0.134 4.346 4.480 0.000 0.000 0.263 16 M C 2.199 178.518 176.300 0.031 0.000 1.065 16 M CA 0.964 56.292 55.300 0.047 0.000 1.122 16 M CB -0.269 32.355 32.600 0.040 0.000 1.365 16 M HN 0.018 nan 8.290 nan 0.000 0.411 17 L N 0.463 121.699 121.223 0.022 0.000 2.046 17 L HA -0.180 4.160 4.340 0.000 0.000 0.208 17 L C 2.447 179.327 176.870 0.017 0.000 1.077 17 L CA 1.878 56.729 54.840 0.017 0.000 0.747 17 L CB -0.621 41.445 42.059 0.012 0.000 0.896 17 L HN 0.130 nan 8.230 nan 0.000 0.432 18 R N 0.012 120.523 120.500 0.019 0.000 2.081 18 R HA -0.049 4.291 4.340 0.000 0.000 0.235 18 R C 2.181 178.493 176.300 0.020 0.000 1.131 18 R CA 1.809 57.920 56.100 0.018 0.000 0.960 18 R CB -1.409 28.903 30.300 0.019 0.000 0.856 18 R HN 0.439 nan 8.270 nan 0.000 0.436 19 G N 0.057 108.873 108.800 0.027 0.000 2.404 19 G HA2 -0.226 3.734 3.960 0.000 0.000 0.215 19 G HA3 -0.226 3.734 3.960 0.000 0.000 0.215 19 G C 1.511 176.421 174.900 0.017 0.000 1.174 19 G CA 0.988 46.102 45.100 0.024 0.000 0.780 19 G HN 0.344 nan 8.290 nan 0.000 0.537 20 V N 1.260 121.185 119.914 0.018 0.000 2.332 20 V HA -0.235 3.885 4.120 0.000 0.000 0.248 20 V C 2.319 178.420 176.094 0.011 0.000 1.055 20 V CA 2.750 65.058 62.300 0.014 0.000 1.038 20 V CB -0.610 31.222 31.823 0.015 0.000 0.651 20 V HN 0.293 nan 8.190 nan 0.000 0.450 21 N N 0.493 119.200 118.700 0.011 0.000 2.149 21 N HA -0.122 4.618 4.740 0.000 0.000 0.188 21 N C 1.824 177.338 175.510 0.007 0.000 1.019 21 N CA 1.893 54.948 53.050 0.009 0.000 0.857 21 N CB -0.687 37.806 38.487 0.008 0.000 0.997 21 N HN 0.527 nan 8.380 nan 0.000 0.426 22 V N 1.592 121.510 119.914 0.007 0.000 2.295 22 V HA -0.185 3.935 4.120 0.000 0.000 0.246 22 V C 2.422 178.518 176.094 0.003 0.000 1.049 22 V CA 1.136 63.439 62.300 0.005 0.000 1.024 22 V CB -0.606 31.221 31.823 0.005 0.000 0.648 22 V HN 0.205 nan 8.190 nan 0.000 0.447 23 L N 0.788 122.013 121.223 0.003 0.000 1.994 23 L HA -0.116 4.224 4.340 0.000 0.000 0.208 23 L C 2.419 179.290 176.870 0.001 0.000 1.071 23 L CA 2.531 57.371 54.840 0.001 0.000 0.745 23 L CB -0.763 41.296 42.059 0.000 0.000 0.892 23 L HN 0.201 nan 8.230 nan 0.000 0.431 24 A N -0.710 122.112 122.820 0.003 0.000 1.873 24 A HA -0.183 4.137 4.320 0.000 0.000 0.215 24 A C 1.955 179.541 177.584 0.003 0.000 1.186 24 A CA 1.662 53.702 52.037 0.004 0.000 0.616 24 A CB -0.907 18.097 19.000 0.007 0.000 0.823 24 A HN 0.563 nan 8.150 nan 0.000 0.442 25 D N 0.422 120.824 120.400 0.003 0.000 2.149 25 D HA -0.105 4.535 4.640 0.000 0.000 0.198 25 D C 2.152 178.452 176.300 0.000 0.000 0.990 25 D CA 1.607 55.608 54.000 0.002 0.000 0.839 25 D CB -0.455 40.347 40.800 0.002 0.000 0.948 25 D HN 0.441 nan 8.370 nan 0.000 0.460 26 A N 0.431 123.250 122.820 -0.001 0.000 1.898 26 A HA -0.105 4.215 4.320 0.000 0.000 0.216 26 A C 2.514 180.096 177.584 -0.003 0.000 1.181 26 A CA 1.105 53.140 52.037 -0.002 0.000 0.620 26 A CB -0.660 18.337 19.000 -0.004 0.000 0.819 26 A HN 0.156 nan 8.150 nan 0.000 0.442 27 V N 1.280 121.193 119.914 -0.003 0.000 2.453 27 V HA -0.224 3.896 4.120 0.000 0.000 0.247 27 V C 2.532 178.625 176.094 -0.002 0.000 1.048 27 V CA 2.189 64.487 62.300 -0.004 0.000 1.049 27 V CB -0.632 31.189 31.823 -0.004 0.000 0.672 27 V HN 0.844 nan 8.190 nan 0.000 0.457 28 K N 1.246 121.646 120.400 0.000 0.000 2.365 28 K HA -0.053 4.267 4.320 0.000 0.000 0.199 28 K C 1.775 178.376 176.600 0.001 0.000 1.045 28 K CA 1.549 57.837 56.287 0.002 0.000 0.962 28 K CB -0.387 32.115 32.500 0.004 0.000 0.759 28 K HN 0.482 nan 8.250 nan 0.000 0.469 29 V N -0.055 119.859 119.914 0.000 0.000 3.141 29 V HA -0.079 4.041 4.120 0.000 0.000 0.265 29 V C 1.876 177.970 176.094 -0.001 0.000 1.126 29 V CA 1.495 63.795 62.300 -0.000 0.000 1.141 29 V CB -0.944 30.878 31.823 -0.001 0.000 0.743 29 V HN 0.490 nan 8.190 nan 0.000 0.492 30 T N -2.062 112.491 114.554 -0.002 0.000 3.144 30 T HA 0.320 4.670 4.350 0.000 0.000 0.249 30 T C 0.409 175.108 174.700 -0.002 0.000 1.089 30 T CA -0.197 61.901 62.100 -0.003 0.000 0.989 30 T CB -0.158 68.707 68.868 -0.006 0.000 0.992 30 T HN 0.354 nan 8.240 nan 0.000 0.540 31 L N 2.743 123.966 121.223 0.000 0.000 2.360 31 L HA 0.576 4.916 4.340 0.000 0.000 0.276 31 L C 0.779 177.651 176.870 0.002 0.000 1.121 31 L CA 1.380 56.221 54.840 0.002 0.000 0.845 31 L CB -0.538 41.524 42.059 0.005 0.000 1.143 31 L HN 0.655 nan 8.230 nan 0.000 0.452 32 G N 4.786 113.586 108.800 -0.000 0.000 2.796 32 G HA2 -0.178 3.782 3.960 0.000 0.000 0.571 32 G HA3 -0.178 3.782 3.960 0.000 0.000 0.571 32 G C -1.997 172.898 174.900 -0.007 0.000 1.370 32 G CA -0.326 44.773 45.100 -0.002 0.000 0.856 32 G HN 0.547 nan 8.290 nan 0.000 0.538 33 P HA 0.028 nan 4.420 nan 0.000 0.222 33 P C 0.939 178.229 177.300 -0.017 0.000 1.147 33 P CA 1.231 64.319 63.100 -0.020 0.000 0.790 33 P CB 0.129 31.807 31.700 -0.035 0.000 0.780 34 K N 0.428 120.822 120.400 -0.010 0.000 2.675 34 K HA 0.253 4.573 4.320 0.000 0.000 0.213 34 K C 0.942 177.540 176.600 -0.002 0.000 1.074 34 K CA -0.192 56.091 56.287 -0.006 0.000 1.172 34 K CB 0.149 32.649 32.500 0.000 0.000 0.927 34 K HN 0.041 nan 8.250 nan 0.000 0.471 35 G N 1.442 110.240 108.800 -0.004 0.000 2.414 35 G HA2 0.035 3.995 3.960 0.000 0.000 0.236 35 G HA3 0.035 3.995 3.960 0.000 0.000 0.236 35 G C 0.159 175.057 174.900 -0.004 0.000 1.293 35 G CA -0.326 44.773 45.100 -0.003 0.000 0.869 35 G HN 0.107 nan 8.290 nan 0.000 0.556 36 R N 0.863 121.361 120.500 -0.003 0.000 2.549 36 R HA 0.195 4.535 4.340 0.000 0.000 0.267 36 R C 0.247 176.544 176.300 -0.004 0.000 1.045 36 R CA -0.842 55.256 56.100 -0.003 0.000 1.115 36 R CB 0.476 30.774 30.300 -0.002 0.000 1.121 36 R HN 0.662 nan 8.270 nan 0.000 0.543 37 N N -0.713 117.985 118.700 -0.004 0.000 2.530 37 N HA 0.191 4.931 4.740 0.000 0.000 0.273 37 N C -0.774 174.733 175.510 -0.005 0.000 1.173 37 N CA -0.261 52.786 53.050 -0.005 0.000 0.967 37 N CB 0.987 39.471 38.487 -0.005 0.000 1.109 37 N HN 0.098 nan 8.380 nan 0.000 0.453 38 V N 2.274 122.185 119.914 -0.006 0.000 2.435 38 V HA 0.299 4.419 4.120 0.000 0.000 0.290 38 V C -0.089 176.001 176.094 -0.006 0.000 1.030 38 V CA -0.840 61.457 62.300 -0.006 0.000 0.881 38 V CB 1.646 33.465 31.823 -0.006 0.000 0.983 38 V HN 0.335 nan 8.190 nan 0.000 0.445 39 V N 6.503 126.414 119.914 -0.006 0.000 2.383 39 V HA 0.432 4.552 4.120 0.000 0.000 0.275 39 V C -0.150 175.939 176.094 -0.008 0.000 1.036 39 V CA -0.372 61.924 62.300 -0.007 0.000 0.889 39 V CB 1.186 33.005 31.823 -0.007 0.000 0.985 39 V HN 0.623 nan 8.190 nan 0.000 0.459 40 L N 3.843 125.061 121.223 -0.008 0.000 2.298 40 L HA 0.511 4.851 4.340 0.000 0.000 0.284 40 L C -0.076 176.788 176.870 -0.010 0.000 1.013 40 L CA -0.618 54.216 54.840 -0.009 0.000 0.824 40 L CB 1.530 43.585 42.059 -0.008 0.000 1.221 40 L HN 0.487 nan 8.230 nan 0.000 0.418 41 D N 3.495 123.886 120.400 -0.015 0.000 2.423 41 D HA 0.170 4.810 4.640 0.000 0.000 0.238 41 D C -0.413 175.874 176.300 -0.021 0.000 1.142 41 D CA 0.480 54.467 54.000 -0.022 0.000 0.884 41 D CB 0.976 41.757 40.800 -0.032 0.000 1.199 41 D HN 0.355 nan 8.370 nan 0.000 0.438 42 K N 0.369 120.754 120.400 -0.024 0.000 2.375 42 K HA 0.175 4.495 4.320 0.000 0.000 0.249 42 K C 0.868 177.431 176.600 -0.062 0.000 0.942 42 K CA -0.539 55.740 56.287 -0.013 0.000 0.806 42 K CB 1.758 34.270 32.500 0.021 0.000 1.227 42 K HN 0.378 nan 8.250 nan 0.000 0.430 43 S N 1.498 117.149 115.700 -0.082 0.000 2.474 43 S HA 0.012 4.482 4.470 0.000 0.000 0.235 43 S C 0.262 174.518 174.600 -0.573 0.000 0.997 43 S CA 0.595 58.613 58.200 -0.304 0.000 0.949 43 S CB -0.141 62.888 63.200 -0.285 0.000 0.766 43 S HN 0.394 nan 8.310 nan 0.000 0.517 44 F N 0.857 120.804 119.950 -0.005 0.000 2.547 44 F HA 0.662 5.189 4.527 -0.000 0.000 0.316 44 F C 0.949 176.746 175.800 -0.004 0.000 1.121 44 F CA -0.020 57.977 58.000 -0.004 0.000 0.911 44 F CB 1.732 40.730 39.000 -0.004 0.000 1.179 44 F HN 0.355 nan 8.300 nan 0.000 0.443 45 G N 1.320 110.214 108.800 0.157 0.000 2.593 45 G HA2 0.170 4.130 3.960 0.000 0.000 0.237 45 G HA3 0.170 4.130 3.960 0.000 0.000 0.237 45 G C -0.585 174.343 174.900 0.047 0.000 1.312 45 G CA -0.556 44.600 45.100 0.093 0.000 0.896 45 G HN 1.231 nan 8.290 nan 0.000 0.574 46 A N 1.434 124.275 122.820 0.036 0.000 2.388 46 A HA 0.725 5.045 4.320 0.000 0.000 0.257 46 A C -1.146 176.447 177.584 0.015 0.000 1.095 46 A CA -0.087 51.962 52.037 0.019 0.000 0.791 46 A CB -0.012 18.997 19.000 0.016 0.000 1.029 46 A HN 0.811 nan 8.150 nan 0.000 0.489 47 P HA 0.218 nan 4.420 nan 0.000 0.272 47 P C -0.247 177.055 177.300 0.003 0.000 1.230 47 P CA -0.058 63.043 63.100 0.001 0.000 0.788 47 P CB 0.274 31.970 31.700 -0.005 0.000 0.949 48 T N 2.054 116.609 114.554 0.002 0.000 2.794 48 T HA 0.387 4.737 4.350 0.000 0.000 0.296 48 T C 0.443 175.142 174.700 -0.002 0.000 0.949 48 T CA -0.024 62.077 62.100 0.001 0.000 1.101 48 T CB -0.217 68.652 68.868 0.001 0.000 0.905 48 T HN 0.184 nan 8.240 nan 0.000 0.516 49 I N 3.022 123.591 120.570 -0.002 0.000 2.339 49 I HA 0.461 4.631 4.170 0.000 0.000 0.290 49 I C 0.471 176.585 176.117 -0.005 0.000 0.994 49 I CA -0.432 60.865 61.300 -0.004 0.000 1.191 49 I CB 1.710 39.709 38.000 -0.003 0.000 1.343 49 I HN 0.511 nan 8.210 nan 0.000 0.458 50 T N 4.463 119.014 114.554 -0.006 0.000 2.900 50 T HA 0.401 4.751 4.350 0.000 0.000 0.303 50 T C -0.082 174.614 174.700 -0.008 0.000 1.142 50 T CA -0.655 61.441 62.100 -0.008 0.000 1.007 50 T CB 1.573 70.436 68.868 -0.009 0.000 1.156 50 T HN 0.649 nan 8.240 nan 0.000 0.490 51 K N 1.687 122.082 120.400 -0.009 0.000 2.455 51 K HA 0.227 4.547 4.320 0.000 0.000 0.206 51 K C -0.586 176.007 176.600 -0.011 0.000 1.027 51 K CA -0.349 55.933 56.287 -0.009 0.000 1.113 51 K CB 0.455 32.950 32.500 -0.009 0.000 0.850 51 K HN 0.445 nan 8.250 nan 0.000 0.503 52 D N -0.109 120.284 120.400 -0.013 0.000 2.274 52 D HA 0.137 4.777 4.640 0.000 0.000 0.239 52 D C 1.094 177.385 176.300 -0.016 0.000 1.104 52 D CA -0.288 53.703 54.000 -0.016 0.000 0.840 52 D CB 1.494 42.283 40.800 -0.019 0.000 1.100 52 D HN 0.131 nan 8.370 nan 0.000 0.477 53 G N 2.286 111.077 108.800 -0.015 0.000 2.448 53 G HA2 -0.145 3.815 3.960 0.000 0.000 0.218 53 G HA3 -0.145 3.815 3.960 0.000 0.000 0.218 53 G C 1.419 176.308 174.900 -0.017 0.000 1.135 53 G CA 0.454 45.546 45.100 -0.014 0.000 0.784 53 G HN 0.474 nan 8.290 nan 0.000 0.543 54 V N 1.088 120.989 119.914 -0.022 0.000 2.358 54 V HA -0.161 3.959 4.120 0.000 0.000 0.246 54 V C 3.064 179.144 176.094 -0.023 0.000 1.047 54 V CA 2.058 64.343 62.300 -0.026 0.000 1.035 54 V CB -0.489 31.315 31.823 -0.033 0.000 0.658 54 V HN 0.348 nan 8.190 nan 0.000 0.452 55 S N 0.160 115.847 115.700 -0.021 0.000 2.365 55 S HA -0.212 4.258 4.470 0.000 0.000 0.225 55 S C 2.015 176.606 174.600 -0.015 0.000 1.039 55 S CA 1.769 59.959 58.200 -0.017 0.000 1.033 55 S CB -0.347 62.844 63.200 -0.015 0.000 0.887 55 S HN 0.397 nan 8.310 nan 0.000 0.447 56 V N 1.848 121.754 119.914 -0.014 0.000 2.307 56 V HA -0.181 3.939 4.120 0.000 0.000 0.245 56 V C 2.643 178.729 176.094 -0.013 0.000 1.045 56 V CA 1.644 63.937 62.300 -0.012 0.000 1.024 56 V CB -1.265 30.552 31.823 -0.010 0.000 0.651 56 V HN 0.550 nan 8.190 nan 0.000 0.449 57 A N -0.057 122.754 122.820 -0.015 0.000 1.908 57 A HA -0.236 4.084 4.320 0.000 0.000 0.218 57 A C 2.363 179.936 177.584 -0.018 0.000 1.181 57 A CA 1.770 53.797 52.037 -0.016 0.000 0.627 57 A CB -0.540 18.449 19.000 -0.019 0.000 0.818 57 A HN 0.489 nan 8.150 nan 0.000 0.445 58 R N -0.463 120.025 120.500 -0.020 0.000 2.152 58 R HA -0.095 4.245 4.340 0.000 0.000 0.232 58 R C 1.261 177.550 176.300 -0.018 0.000 1.117 58 R CA 1.241 57.328 56.100 -0.021 0.000 0.981 58 R CB -0.131 30.156 30.300 -0.022 0.000 0.870 58 R HN 0.503 nan 8.270 nan 0.000 0.451 59 E N 0.227 120.418 120.200 -0.015 0.000 2.478 59 E HA 0.040 4.390 4.350 0.000 0.000 0.194 59 E C 0.379 176.971 176.600 -0.013 0.000 1.045 59 E CA 0.208 56.600 56.400 -0.013 0.000 0.868 59 E CB 0.317 30.010 29.700 -0.012 0.000 0.885 59 E HN 0.177 nan 8.360 nan 0.000 0.505 60 I N 2.290 122.852 120.570 -0.013 0.000 2.363 60 I HA 0.135 4.305 4.170 0.000 0.000 0.292 60 I C 0.341 176.450 176.117 -0.013 0.000 1.075 60 I CA 0.241 61.534 61.300 -0.012 0.000 1.333 60 I CB -0.037 37.957 38.000 -0.010 0.000 1.415 60 I HN -0.046 nan 8.210 nan 0.000 0.502 61 E N 7.362 127.554 120.200 -0.013 0.000 2.290 61 E HA 0.571 4.921 4.350 0.000 0.000 0.274 61 E C -1.681 174.912 176.600 -0.012 0.000 0.889 61 E CA -0.629 55.762 56.400 -0.014 0.000 0.760 61 E CB 2.039 31.729 29.700 -0.017 0.000 1.206 61 E HN 0.458 nan 8.360 nan 0.000 0.419 62 L N 3.316 124.532 121.223 -0.010 0.000 2.334 62 L HA 0.402 4.742 4.340 0.000 0.000 0.270 62 L C 1.451 178.317 176.870 -0.007 0.000 1.018 62 L CA -0.589 54.248 54.840 -0.005 0.000 0.811 62 L CB 1.546 43.607 42.059 0.004 0.000 1.271 62 L HN 0.751 nan 8.230 nan 0.000 0.443 63 E N 0.615 120.815 120.200 -0.002 0.000 2.028 63 E HA -0.170 4.180 4.350 0.000 0.000 0.191 63 E C 0.473 177.075 176.600 0.003 0.000 0.988 63 E CA 0.563 56.962 56.400 -0.002 0.000 0.799 63 E CB 0.225 29.926 29.700 0.002 0.000 0.755 63 E HN 0.676 nan 8.360 nan 0.000 0.447 64 D N 0.758 121.171 120.400 0.022 0.000 2.434 64 D HA -0.073 4.567 4.640 0.000 0.000 0.252 64 D C 0.644 176.962 176.300 0.031 0.000 1.185 64 D CA 0.153 54.184 54.000 0.051 0.000 0.886 64 D CB 0.910 41.759 40.800 0.081 0.000 1.148 64 D HN 0.100 nan 8.370 nan 0.000 0.483 65 K N 3.553 123.943 120.400 -0.016 0.000 2.148 65 K HA -0.131 4.189 4.320 0.000 0.000 0.204 65 K C 1.815 178.289 176.600 -0.211 0.000 1.050 65 K CA 0.934 57.125 56.287 -0.160 0.000 0.942 65 K CB -0.087 32.236 32.500 -0.295 0.000 0.724 65 K HN 0.473 nan 8.250 nan 0.000 0.446 66 F N 1.898 121.837 119.950 -0.019 0.000 2.187 66 F HA -0.020 4.507 4.527 0.000 0.000 0.295 66 F C 2.357 178.147 175.800 -0.018 0.000 1.091 66 F CA 0.889 58.876 58.000 -0.023 0.000 1.308 66 F CB -0.322 38.663 39.000 -0.024 0.000 1.030 66 F HN 0.035 nan 8.300 nan 0.000 0.487 67 E N 0.145 120.447 120.200 0.170 0.000 2.085 67 E HA -0.277 4.073 4.350 0.000 0.000 0.194 67 E C 1.794 178.421 176.600 0.044 0.000 0.994 67 E CA 1.463 57.915 56.400 0.087 0.000 0.801 67 E CB -0.408 29.331 29.700 0.065 0.000 0.743 67 E HN 0.293 nan 8.360 nan 0.000 0.453 68 N N 0.649 119.361 118.700 0.020 0.000 2.104 68 N HA -0.176 4.564 4.740 0.000 0.000 0.190 68 N C 1.734 177.235 175.510 -0.015 0.000 1.024 68 N CA 1.371 54.416 53.050 -0.009 0.000 0.853 68 N CB -0.028 38.440 38.487 -0.032 0.000 1.008 68 N HN 0.090 nan 8.380 nan 0.000 0.424 69 M N -0.765 118.822 119.600 -0.021 0.000 2.108 69 M HA -0.057 4.423 4.480 0.000 0.000 0.261 69 M C 2.182 178.486 176.300 0.006 0.000 1.066 69 M CA 1.732 57.020 55.300 -0.020 0.000 1.107 69 M CB -0.614 31.968 32.600 -0.030 0.000 1.356 69 M HN 0.317 nan 8.290 nan 0.000 0.406 70 G N -0.070 108.747 108.800 0.028 0.000 2.446 70 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 70 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 70 G C 1.613 176.522 174.900 0.014 0.000 1.168 70 G CA 1.134 46.250 45.100 0.027 0.000 0.771 70 G HN 0.555 nan 8.290 nan 0.000 0.551 71 A N 0.018 122.845 122.820 0.010 0.000 1.883 71 A HA -0.132 4.188 4.320 0.000 0.000 0.217 71 A C 2.413 179.995 177.584 -0.004 0.000 1.186 71 A CA 2.171 54.210 52.037 0.003 0.000 0.624 71 A CB -0.411 18.588 19.000 -0.001 0.000 0.822 71 A HN 0.336 nan 8.150 nan 0.000 0.444 72 Q N -0.779 119.016 119.800 -0.009 0.000 2.167 72 Q HA -0.040 4.300 4.340 0.000 0.000 0.202 72 Q C 2.118 178.111 176.000 -0.011 0.000 0.970 72 Q CA 1.388 57.182 55.803 -0.015 0.000 0.855 72 Q CB -0.496 28.229 28.738 -0.022 0.000 0.911 72 Q HN 0.799 nan 8.270 nan 0.000 0.438 73 M N -0.494 119.104 119.600 -0.004 0.000 2.123 73 M HA -0.105 4.375 4.480 0.000 0.000 0.263 73 M C 2.253 178.556 176.300 0.005 0.000 1.069 73 M CA 1.044 56.345 55.300 0.002 0.000 1.133 73 M CB -0.396 32.210 32.600 0.009 0.000 1.356 73 M HN 0.076 nan 8.290 nan 0.000 0.415 74 V N 0.425 120.344 119.914 0.007 0.000 2.490 74 V HA -0.248 3.872 4.120 0.000 0.000 0.250 74 V C 2.015 178.108 176.094 -0.002 0.000 1.061 74 V CA 1.960 64.265 62.300 0.009 0.000 1.064 74 V CB -0.403 31.428 31.823 0.013 0.000 0.670 74 V HN 0.414 nan 8.190 nan 0.000 0.461 75 K N -0.413 119.981 120.400 -0.010 0.000 2.148 75 K HA -0.110 4.210 4.320 0.000 0.000 0.204 75 K C 2.089 178.667 176.600 -0.036 0.000 1.050 75 K CA 1.281 57.555 56.287 -0.022 0.000 0.942 75 K CB -0.139 32.347 32.500 -0.023 0.000 0.724 75 K HN 0.421 nan 8.250 nan 0.000 0.446 76 E N 0.430 120.610 120.200 -0.034 0.000 2.284 76 E HA -0.200 4.150 4.350 0.000 0.000 0.200 76 E C 1.856 178.411 176.600 -0.076 0.000 1.008 76 E CA 0.874 57.244 56.400 -0.050 0.000 0.829 76 E CB -0.129 29.556 29.700 -0.024 0.000 0.744 76 E HN 0.112 nan 8.360 nan 0.000 0.491 77 V N 1.036 120.925 119.914 -0.042 0.000 2.255 77 V HA -0.222 3.898 4.120 0.000 0.000 0.243 77 V C 2.420 178.456 176.094 -0.096 0.000 1.038 77 V CA 1.688 63.966 62.300 -0.037 0.000 1.008 77 V CB -0.863 30.977 31.823 0.029 0.000 0.645 77 V HN 0.272 nan 8.190 nan 0.000 0.449 78 A N 0.918 123.703 122.820 -0.059 0.000 1.884 78 A HA -0.288 4.032 4.320 0.000 0.000 0.219 78 A C 2.528 180.040 177.584 -0.120 0.000 1.197 78 A CA 3.067 55.065 52.037 -0.066 0.000 0.637 78 A CB -1.037 17.938 19.000 -0.042 0.000 0.827 78 A HN 0.701 nan 8.150 nan 0.000 0.450 79 S N -0.169 115.459 115.700 -0.121 0.000 2.383 79 S HA -0.159 4.311 4.470 0.000 0.000 0.227 79 S C 1.817 176.294 174.600 -0.204 0.000 1.026 79 S CA 1.482 59.607 58.200 -0.125 0.000 0.981 79 S CB -0.331 62.814 63.200 -0.092 0.000 0.818 79 S HN 0.606 nan 8.310 nan 0.000 0.472 80 K N 1.775 121.971 120.400 -0.341 0.000 2.097 80 K HA 0.157 4.477 4.320 0.000 0.000 0.205 80 K C 2.488 178.670 176.600 -0.697 0.000 1.050 80 K CA 1.089 57.024 56.287 -0.587 0.000 0.938 80 K CB -0.507 31.416 32.500 -0.962 0.000 0.718 80 K HN 0.466 nan 8.250 nan 0.000 0.442 81 A N 1.564 124.032 122.820 -0.587 0.000 1.898 81 A HA -0.227 4.093 4.320 0.000 0.000 0.216 81 A C 1.950 179.487 177.584 -0.080 0.000 1.181 81 A CA 1.796 53.714 52.037 -0.199 0.000 0.620 81 A CB -0.676 18.321 19.000 -0.005 0.000 0.819 81 A HN 0.269 nan 8.150 nan 0.000 0.442 82 N N 0.666 119.306 118.700 -0.099 0.000 2.000 82 N HA -0.196 4.544 4.740 0.000 0.000 0.198 82 N C 1.198 176.690 175.510 -0.031 0.000 1.057 82 N CA 2.097 55.113 53.050 -0.056 0.000 0.858 82 N CB -0.490 37.958 38.487 -0.066 0.000 1.057 82 N HN 0.394 nan 8.380 nan 0.000 0.423 83 D N -0.287 120.077 120.400 -0.060 0.000 2.170 83 D HA -0.181 4.459 4.640 0.000 0.000 0.193 83 D C 1.601 177.913 176.300 0.020 0.000 1.004 83 D CA 1.680 55.665 54.000 -0.026 0.000 0.860 83 D CB -0.560 40.202 40.800 -0.063 0.000 0.931 83 D HN 0.496 nan 8.370 nan 0.000 0.448 84 A N -0.332 122.503 122.820 0.025 0.000 1.975 84 A HA 0.368 4.688 4.320 0.000 0.000 0.215 84 A C 2.008 179.653 177.584 0.101 0.000 1.170 84 A CA 1.634 53.725 52.037 0.090 0.000 0.656 84 A CB 0.156 19.283 19.000 0.212 0.000 0.821 84 A HN 0.248 nan 8.150 nan 0.000 0.449 85 A N -3.081 119.810 122.820 0.119 0.000 2.242 85 A HA 0.467 4.787 4.320 0.000 0.000 0.205 85 A C 1.646 179.404 177.584 0.289 0.000 1.353 85 A CA 1.049 53.175 52.037 0.148 0.000 1.005 85 A CB -0.240 18.834 19.000 0.122 0.000 1.127 85 A HN 1.836 nan 8.150 nan 0.000 0.498 86 G N -0.477 108.444 108.800 0.201 0.000 2.153 86 G HA2 -0.156 3.804 3.960 0.000 0.000 0.252 86 G HA3 -0.156 3.804 3.960 0.000 0.000 0.252 86 G C -0.215 174.655 174.900 -0.050 0.000 0.994 86 G CA 0.749 45.885 45.100 0.060 0.000 0.698 86 G HN 0.824 nan 8.290 nan 0.000 0.521 87 D N -2.668 117.748 120.400 0.026 0.000 2.710 87 D HA 0.557 5.197 4.640 0.000 0.000 0.276 87 D C 0.889 177.202 176.300 0.022 0.000 1.267 87 D CA 1.156 55.159 54.000 0.004 0.000 0.772 87 D CB 0.476 41.295 40.800 0.030 0.000 1.299 87 D HN 1.356 nan 8.370 nan 0.000 0.421 88 G N 0.039 108.847 108.800 0.014 0.000 2.141 88 G HA2 -0.306 3.654 3.960 0.000 0.000 0.242 88 G HA3 -0.306 3.654 3.960 0.000 0.000 0.242 88 G C 1.006 175.917 174.900 0.019 0.000 0.982 88 G CA 1.718 46.832 45.100 0.024 0.000 0.662 88 G HN 0.918 nan 8.290 nan 0.000 0.527 89 T N -2.724 111.830 114.554 0.001 0.000 2.833 89 T HA -0.091 4.259 4.350 0.000 0.000 0.269 89 T C 2.226 176.925 174.700 -0.001 0.000 1.054 89 T CA 2.582 64.677 62.100 -0.008 0.000 1.135 89 T CB -0.516 68.338 68.868 -0.024 0.000 0.869 89 T HN 0.357 nan 8.240 nan 0.000 0.466 90 T N 1.763 116.317 114.554 0.000 0.000 2.812 90 T HA -0.045 4.305 4.350 0.000 0.000 0.264 90 T C 2.255 176.961 174.700 0.011 0.000 1.042 90 T CA 1.602 63.704 62.100 0.003 0.000 1.140 90 T CB -0.939 67.929 68.868 0.000 0.000 0.870 90 T HN 0.480 nan 8.240 nan 0.000 0.445 91 T N 2.397 116.960 114.554 0.015 0.000 2.624 91 T HA -0.177 4.173 4.350 0.000 0.000 0.268 91 T C 2.383 177.101 174.700 0.029 0.000 1.041 91 T CA 1.494 63.607 62.100 0.022 0.000 1.159 91 T CB -0.663 68.221 68.868 0.026 0.000 0.863 91 T HN 0.458 nan 8.240 nan 0.000 0.434 92 A N 0.973 123.814 122.820 0.036 0.000 1.902 92 A HA -0.122 4.198 4.320 0.000 0.000 0.217 92 A C 2.570 180.177 177.584 0.038 0.000 1.181 92 A CA 2.102 54.169 52.037 0.050 0.000 0.623 92 A CB -1.130 17.908 19.000 0.063 0.000 0.818 92 A HN 0.498 nan 8.150 nan 0.000 0.443 93 T N -0.529 114.039 114.554 0.023 0.000 2.857 93 T HA -0.082 4.268 4.350 0.000 0.000 0.266 93 T C 1.959 176.670 174.700 0.018 0.000 1.048 93 T CA 1.461 63.572 62.100 0.018 0.000 1.139 93 T CB -0.461 68.412 68.868 0.008 0.000 0.874 93 T HN 0.552 nan 8.240 nan 0.000 0.455 94 V N 0.793 120.717 119.914 0.017 0.000 2.515 94 V HA -0.041 4.079 4.120 0.000 0.000 0.250 94 V C 2.068 178.173 176.094 0.019 0.000 1.058 94 V CA 1.482 63.792 62.300 0.015 0.000 1.064 94 V CB -0.769 31.062 31.823 0.013 0.000 0.675 94 V HN 0.468 nan 8.190 nan 0.000 0.461 95 L N 0.460 121.697 121.223 0.024 0.000 2.044 95 L HA 0.059 4.399 4.340 0.000 0.000 0.205 95 L C 3.033 179.918 176.870 0.026 0.000 1.075 95 L CA 1.541 56.396 54.840 0.025 0.000 0.747 95 L CB -0.929 41.148 42.059 0.031 0.000 0.903 95 L HN 0.422 nan 8.230 nan 0.000 0.435 96 A N -0.259 122.580 122.820 0.031 0.000 1.883 96 A HA -0.324 3.996 4.320 0.000 0.000 0.217 96 A C 2.268 179.865 177.584 0.023 0.000 1.186 96 A CA 2.174 54.229 52.037 0.031 0.000 0.624 96 A CB -0.742 18.279 19.000 0.035 0.000 0.822 96 A HN 0.528 nan 8.150 nan 0.000 0.444 97 Q N -0.543 119.268 119.800 0.019 0.000 2.084 97 Q HA -0.134 4.206 4.340 0.000 0.000 0.202 97 Q C 2.154 178.162 176.000 0.014 0.000 0.978 97 Q CA 1.773 57.585 55.803 0.015 0.000 0.844 97 Q CB -0.377 28.369 28.738 0.012 0.000 0.898 97 Q HN 0.582 nan 8.270 nan 0.000 0.426 98 A N 0.881 123.710 122.820 0.014 0.000 1.902 98 A HA -0.151 4.169 4.320 0.000 0.000 0.217 98 A C 2.001 179.593 177.584 0.013 0.000 1.181 98 A CA 1.445 53.489 52.037 0.013 0.000 0.623 98 A CB -0.621 18.386 19.000 0.013 0.000 0.818 98 A HN 0.496 nan 8.150 nan 0.000 0.443 99 I N -0.551 120.028 120.570 0.015 0.000 2.252 99 I HA -0.214 3.956 4.170 0.000 0.000 0.245 99 I C 2.220 178.346 176.117 0.014 0.000 1.102 99 I CA 1.120 62.429 61.300 0.014 0.000 1.385 99 I CB -0.324 37.686 38.000 0.017 0.000 1.064 99 I HN 0.271 nan 8.210 nan 0.000 0.414 100 I N 0.301 120.880 120.570 0.016 0.000 2.226 100 I HA -0.254 3.916 4.170 0.000 0.000 0.245 100 I C 2.553 178.677 176.117 0.013 0.000 1.100 100 I CA 1.464 62.773 61.300 0.016 0.000 1.374 100 I CB -0.554 37.456 38.000 0.017 0.000 1.057 100 I HN 0.194 nan 8.210 nan 0.000 0.413 101 T N 0.093 114.654 114.554 0.012 0.000 2.674 101 T HA -0.133 4.217 4.350 0.000 0.000 0.265 101 T C 1.830 176.536 174.700 0.009 0.000 1.039 101 T CA 1.253 63.359 62.100 0.010 0.000 1.150 101 T CB -0.108 68.766 68.868 0.009 0.000 0.864 101 T HN 0.277 nan 8.240 nan 0.000 0.427 102 E N 0.521 120.726 120.200 0.009 0.000 2.158 102 E HA 0.060 4.410 4.350 0.000 0.000 0.191 102 E C 2.519 179.124 176.600 0.008 0.000 0.982 102 E CA 0.735 57.140 56.400 0.008 0.000 0.823 102 E CB -0.674 29.031 29.700 0.007 0.000 0.766 102 E HN 0.539 nan 8.360 nan 0.000 0.468 103 G N 1.529 110.335 108.800 0.009 0.000 2.421 103 G HA2 -0.208 3.752 3.960 0.000 0.000 0.216 103 G HA3 -0.208 3.752 3.960 0.000 0.000 0.216 103 G C 1.717 176.623 174.900 0.010 0.000 1.171 103 G CA 0.394 45.500 45.100 0.010 0.000 0.775 103 G HN 0.163 nan 8.290 nan 0.000 0.543 104 L N -0.193 121.036 121.223 0.010 0.000 2.141 104 L HA -0.004 4.336 4.340 0.000 0.000 0.209 104 L C 2.902 179.777 176.870 0.008 0.000 1.094 104 L CA 0.908 55.754 54.840 0.010 0.000 0.763 104 L CB -0.265 41.800 42.059 0.010 0.000 0.908 104 L HN 0.183 nan 8.230 nan 0.000 0.437 105 K N 0.093 120.498 120.400 0.007 0.000 2.097 105 K HA -0.139 4.181 4.320 0.000 0.000 0.206 105 K C 2.218 178.821 176.600 0.005 0.000 1.049 105 K CA 1.305 57.595 56.287 0.005 0.000 0.933 105 K CB -0.106 32.397 32.500 0.005 0.000 0.717 105 K HN 0.282 nan 8.250 nan 0.000 0.442 106 A N 0.722 123.546 122.820 0.006 0.000 1.930 106 A HA -0.100 4.220 4.320 0.000 0.000 0.217 106 A C 2.253 179.841 177.584 0.006 0.000 1.175 106 A CA 1.199 53.239 52.037 0.006 0.000 0.627 106 A CB -0.484 18.520 19.000 0.006 0.000 0.815 106 A HN 0.077 nan 8.150 nan 0.000 0.443 107 V N -0.002 119.917 119.914 0.008 0.000 2.343 107 V HA -0.260 3.860 4.120 0.000 0.000 0.247 107 V C 3.022 179.121 176.094 0.008 0.000 1.051 107 V CA 1.875 64.180 62.300 0.009 0.000 1.036 107 V CB -1.240 30.590 31.823 0.012 0.000 0.654 107 V HN 0.599 nan 8.190 nan 0.000 0.451 108 A N -0.117 122.707 122.820 0.007 0.000 2.024 108 A HA -0.050 4.270 4.320 0.000 0.000 0.220 108 A C 2.192 179.778 177.584 0.003 0.000 1.164 108 A CA 1.836 53.876 52.037 0.005 0.000 0.643 108 A CB -0.503 18.499 19.000 0.003 0.000 0.806 108 A HN 0.612 nan 8.150 nan 0.000 0.451 109 A N -2.191 120.631 122.820 0.004 0.000 2.251 109 A HA 0.439 4.759 4.320 0.000 0.000 0.209 109 A C 1.629 179.215 177.584 0.003 0.000 1.187 109 A CA 1.137 53.176 52.037 0.003 0.000 0.823 109 A CB -0.609 18.392 19.000 0.003 0.000 0.846 109 A HN 1.795 nan 8.150 nan 0.000 0.486 110 G N -1.708 107.094 108.800 0.004 0.000 2.168 110 G HA2 -0.185 3.775 3.960 0.000 0.000 0.197 110 G HA3 -0.185 3.775 3.960 0.000 0.000 0.197 110 G C 0.120 175.022 174.900 0.004 0.000 0.997 110 G CA 0.111 45.213 45.100 0.003 0.000 0.658 110 G HN 0.337 nan 8.290 nan 0.000 0.513 111 M N 0.627 120.230 119.600 0.005 0.000 2.291 111 M HA 0.341 4.821 4.480 0.000 0.000 0.324 111 M C 0.507 176.811 176.300 0.007 0.000 1.148 111 M CA -0.750 54.553 55.300 0.005 0.000 1.104 111 M CB 0.722 33.325 32.600 0.005 0.000 1.483 111 M HN 0.137 nan 8.290 nan 0.000 0.467 112 N N 2.116 120.819 118.700 0.006 0.000 2.411 112 N HA 0.153 4.893 4.740 0.000 0.000 0.259 112 N C -2.235 173.281 175.510 0.009 0.000 1.103 112 N CA -1.560 51.495 53.050 0.008 0.000 0.954 112 N CB 1.246 39.737 38.487 0.006 0.000 1.085 112 N HN 0.250 nan 8.380 nan 0.000 0.485 113 P HA -0.089 nan 4.420 nan 0.000 0.216 113 P C 1.641 178.948 177.300 0.011 0.000 1.153 113 P CA 1.362 64.469 63.100 0.012 0.000 0.848 113 P CB 0.215 31.924 31.700 0.016 0.000 0.787 114 M N -0.971 118.635 119.600 0.011 0.000 2.175 114 M HA -0.114 4.366 4.480 0.000 0.000 0.264 114 M C 1.360 177.664 176.300 0.007 0.000 1.063 114 M CA 1.588 56.893 55.300 0.009 0.000 1.119 114 M CB -1.550 31.055 32.600 0.009 0.000 1.377 114 M HN -0.008 nan 8.290 nan 0.000 0.415 115 D N 0.724 121.128 120.400 0.006 0.000 2.149 115 D HA -0.014 4.626 4.640 0.000 0.000 0.201 115 D C 2.320 178.623 176.300 0.005 0.000 0.972 115 D CA 0.928 54.931 54.000 0.005 0.000 0.835 115 D CB -0.078 40.724 40.800 0.004 0.000 0.966 115 D HN 0.327 nan 8.370 nan 0.000 0.476 116 L N 0.767 121.993 121.223 0.006 0.000 2.056 116 L HA -0.152 4.188 4.340 0.000 0.000 0.207 116 L C 2.520 179.394 176.870 0.006 0.000 1.078 116 L CA 1.100 55.943 54.840 0.006 0.000 0.749 116 L CB -0.300 41.763 42.059 0.008 0.000 0.901 116 L HN -0.036 nan 8.230 nan 0.000 0.433 117 K N 0.457 120.861 120.400 0.007 0.000 2.057 117 K HA -0.240 4.080 4.320 0.000 0.000 0.207 117 K C 2.326 178.928 176.600 0.003 0.000 1.049 117 K CA 1.390 57.681 56.287 0.006 0.000 0.931 117 K CB -0.045 32.459 32.500 0.007 0.000 0.714 117 K HN 0.066 nan 8.250 nan 0.000 0.440 118 R N -0.068 120.433 120.500 0.003 0.000 2.081 118 R HA -0.106 4.234 4.340 0.000 0.000 0.235 118 R C 2.309 178.609 176.300 -0.000 0.000 1.131 118 R CA 1.815 57.916 56.100 0.001 0.000 0.960 118 R CB -0.665 29.636 30.300 0.001 0.000 0.856 118 R HN 0.418 nan 8.270 nan 0.000 0.436 119 G N 1.023 109.824 108.800 0.001 0.000 2.459 119 G HA2 -0.275 3.685 3.960 0.000 0.000 0.217 119 G HA3 -0.275 3.685 3.960 0.000 0.000 0.217 119 G C 1.448 176.348 174.900 0.001 0.000 1.183 119 G CA 1.184 46.285 45.100 0.001 0.000 0.776 119 G HN 0.296 nan 8.290 nan 0.000 0.552 120 I N 1.048 121.618 120.570 0.001 0.000 2.151 120 I HA -0.193 3.977 4.170 0.000 0.000 0.243 120 I C 2.279 178.394 176.117 -0.003 0.000 1.080 120 I CA 1.511 62.811 61.300 0.001 0.000 1.339 120 I CB -0.200 37.801 38.000 0.003 0.000 1.039 120 I HN 0.059 nan 8.210 nan 0.000 0.409 121 D N 0.393 120.790 120.400 -0.005 0.000 2.178 121 D HA -0.170 4.470 4.640 0.000 0.000 0.202 121 D C 2.078 178.372 176.300 -0.010 0.000 0.974 121 D CA 1.004 54.998 54.000 -0.010 0.000 0.841 121 D CB -0.124 40.670 40.800 -0.010 0.000 0.953 121 D HN 0.323 nan 8.370 nan 0.000 0.478 122 K N 0.717 121.113 120.400 -0.006 0.000 2.062 122 K HA -0.017 4.303 4.320 0.000 0.000 0.205 122 K C 2.009 178.606 176.600 -0.005 0.000 1.051 122 K CA 1.061 57.345 56.287 -0.006 0.000 0.941 122 K CB 0.013 32.511 32.500 -0.003 0.000 0.719 122 K HN -0.021 nan 8.250 nan 0.000 0.440 123 A N 0.861 123.679 122.820 -0.004 0.000 1.908 123 A HA -0.132 4.188 4.320 0.000 0.000 0.218 123 A C 2.243 179.824 177.584 -0.005 0.000 1.181 123 A CA 1.823 53.859 52.037 -0.002 0.000 0.627 123 A CB -0.780 18.221 19.000 0.000 0.000 0.818 123 A HN 0.184 nan 8.150 nan 0.000 0.445 124 V N -0.564 119.345 119.914 -0.008 0.000 2.343 124 V HA -0.218 3.902 4.120 0.000 0.000 0.247 124 V C 2.740 178.824 176.094 -0.017 0.000 1.051 124 V CA 2.472 64.764 62.300 -0.014 0.000 1.036 124 V CB -1.152 30.658 31.823 -0.022 0.000 0.654 124 V HN 0.608 nan 8.190 nan 0.000 0.451 125 T N -0.139 114.405 114.554 -0.017 0.000 2.821 125 T HA -0.131 4.219 4.350 0.000 0.000 0.267 125 T C 1.885 176.578 174.700 -0.012 0.000 1.046 125 T CA 1.585 63.674 62.100 -0.018 0.000 1.139 125 T CB -0.102 68.757 68.868 -0.016 0.000 0.871 125 T HN 0.296 nan 8.240 nan 0.000 0.454 126 V N 1.460 121.370 119.914 -0.008 0.000 2.548 126 V HA -0.028 4.092 4.120 0.000 0.000 0.249 126 V C 2.793 178.885 176.094 -0.003 0.000 1.055 126 V CA 1.344 63.642 62.300 -0.004 0.000 1.065 126 V CB -1.025 30.797 31.823 -0.002 0.000 0.681 126 V HN 0.482 nan 8.190 nan 0.000 0.462 127 A N -0.209 122.609 122.820 -0.003 0.000 1.969 127 A HA -0.116 4.204 4.320 0.000 0.000 0.218 127 A C 2.375 179.959 177.584 -0.001 0.000 1.169 127 A CA 1.783 53.820 52.037 -0.000 0.000 0.635 127 A CB -0.487 18.513 19.000 0.001 0.000 0.810 127 A HN 0.328 nan 8.150 nan 0.000 0.445 128 V N 0.040 119.950 119.914 -0.007 0.000 2.379 128 V HA -0.234 3.886 4.120 0.000 0.000 0.245 128 V C 2.374 178.465 176.094 -0.005 0.000 1.044 128 V CA 2.231 64.525 62.300 -0.009 0.000 1.036 128 V CB -0.745 31.066 31.823 -0.020 0.000 0.664 128 V HN 0.662 nan 8.190 nan 0.000 0.453 129 E N 0.042 120.239 120.200 -0.005 0.000 2.077 129 E HA -0.287 4.063 4.350 0.000 0.000 0.193 129 E C 2.185 178.786 176.600 0.001 0.000 0.989 129 E CA 1.579 57.977 56.400 -0.002 0.000 0.800 129 E CB -0.116 29.582 29.700 -0.003 0.000 0.746 129 E HN 0.596 nan 8.360 nan 0.000 0.452 130 E N 0.768 120.970 120.200 0.002 0.000 2.158 130 E HA -0.127 4.223 4.350 0.000 0.000 0.191 130 E C 1.831 178.436 176.600 0.008 0.000 0.982 130 E CA 0.275 56.678 56.400 0.006 0.000 0.823 130 E CB -0.128 29.576 29.700 0.006 0.000 0.766 130 E HN 0.109 nan 8.360 nan 0.000 0.468 131 L N 1.157 122.385 121.223 0.008 0.000 2.089 131 L HA -0.205 4.135 4.340 0.000 0.000 0.213 131 L C 1.884 178.760 176.870 0.010 0.000 1.079 131 L CA 1.935 56.781 54.840 0.010 0.000 0.758 131 L CB -0.354 41.710 42.059 0.009 0.000 0.891 131 L HN 0.074 nan 8.230 nan 0.000 0.433 132 K N -1.286 119.118 120.400 0.007 0.000 2.147 132 K HA -0.067 4.253 4.320 0.000 0.000 0.205 132 K C 1.906 178.511 176.600 0.008 0.000 1.049 132 K CA 1.170 57.461 56.287 0.006 0.000 0.936 132 K CB -0.248 32.254 32.500 0.003 0.000 0.722 132 K HN 0.449 nan 8.250 nan 0.000 0.446 133 A N 0.598 123.423 122.820 0.008 0.000 2.123 133 A HA 0.039 4.359 4.320 0.000 0.000 0.214 133 A C 1.684 179.275 177.584 0.012 0.000 1.152 133 A CA 0.652 52.695 52.037 0.009 0.000 0.728 133 A CB -0.130 18.875 19.000 0.008 0.000 0.814 133 A HN 0.143 nan 8.150 nan 0.000 0.464 134 L N -0.669 120.562 121.223 0.014 0.000 2.607 134 L HA 0.151 4.491 4.340 0.000 0.000 0.228 134 L C 1.100 177.980 176.870 0.017 0.000 1.123 134 L CA -0.216 54.634 54.840 0.017 0.000 0.890 134 L CB -0.046 42.025 42.059 0.021 0.000 1.103 134 L HN 0.229 nan 8.230 nan 0.000 0.468 135 S N 0.183 115.892 115.700 0.014 0.000 2.579 135 S HA 0.289 4.759 4.470 0.000 0.000 0.275 135 S C -0.107 174.501 174.600 0.013 0.000 1.345 135 S CA -0.315 57.893 58.200 0.013 0.000 1.031 135 S CB 1.065 64.271 63.200 0.011 0.000 0.892 135 S HN -0.044 nan 8.310 nan 0.000 0.529 136 V N 6.512 126.433 119.914 0.013 0.000 2.409 136 V HA 0.397 4.517 4.120 0.000 0.000 0.291 136 V C -2.167 173.933 176.094 0.009 0.000 1.020 136 V CA -1.750 60.556 62.300 0.011 0.000 0.848 136 V CB 1.478 33.309 31.823 0.013 0.000 0.990 136 V HN 0.753 nan 8.190 nan 0.000 0.430 137 P HA 0.203 nan 4.420 nan 0.000 0.272 137 P C -0.681 176.623 177.300 0.005 0.000 1.230 137 P CA -0.308 62.795 63.100 0.006 0.000 0.788 137 P CB 0.538 32.242 31.700 0.005 0.000 0.949 138 C N 1.985 121.287 119.300 0.004 0.000 3.002 138 C HA 0.449 4.909 4.460 0.000 0.000 0.248 138 C C 1.132 176.123 174.990 0.001 0.000 1.153 138 C CA 0.126 59.145 59.018 0.003 0.000 1.502 138 C CB -1.503 26.239 27.740 0.003 0.000 1.805 138 C HN 0.530 nan 8.230 nan 0.000 0.450 139 S N 1.591 117.292 115.700 0.002 0.000 2.641 139 S HA 0.119 4.589 4.470 0.000 0.000 0.239 139 S C 0.324 174.925 174.600 0.001 0.000 1.081 139 S CA 0.243 58.444 58.200 0.001 0.000 0.904 139 S CB 0.099 63.300 63.200 0.002 0.000 0.803 139 S HN 0.949 nan 8.310 nan 0.000 0.510 140 D N 0.959 121.360 120.400 0.002 0.000 2.387 140 D HA 0.320 4.960 4.640 0.000 0.000 0.251 140 D C 1.058 177.359 176.300 0.001 0.000 1.141 140 D CA -0.083 53.918 54.000 0.002 0.000 0.987 140 D CB 0.518 41.319 40.800 0.002 0.000 1.116 140 D HN 0.092 nan 8.370 nan 0.000 0.491 141 S N -0.664 115.037 115.700 0.001 0.000 2.453 141 S HA -0.185 4.285 4.470 0.000 0.000 0.231 141 S C 1.620 176.221 174.600 0.002 0.000 1.005 141 S CA 0.600 58.801 58.200 0.001 0.000 0.949 141 S CB -0.435 62.766 63.200 0.001 0.000 0.774 141 S HN 0.538 nan 8.310 nan 0.000 0.510 142 K N 1.769 122.171 120.400 0.002 0.000 2.009 142 K HA -0.090 4.230 4.320 0.000 0.000 0.210 142 K C 2.380 178.982 176.600 0.003 0.000 1.049 142 K CA 1.392 57.681 56.287 0.003 0.000 0.929 142 K CB -0.733 31.769 32.500 0.003 0.000 0.714 142 K HN 0.440 nan 8.250 nan 0.000 0.440 143 A N 1.450 124.272 122.820 0.003 0.000 1.883 143 A HA -0.173 4.147 4.320 0.000 0.000 0.217 143 A C 2.130 179.716 177.584 0.004 0.000 1.186 143 A CA 1.732 53.771 52.037 0.004 0.000 0.624 143 A CB -0.660 18.342 19.000 0.004 0.000 0.822 143 A HN 0.384 nan 8.150 nan 0.000 0.444 144 I N -0.327 120.245 120.570 0.003 0.000 2.264 144 I HA -0.296 3.874 4.170 0.000 0.000 0.248 144 I C 2.913 179.032 176.117 0.004 0.000 1.111 144 I CA 1.072 62.374 61.300 0.002 0.000 1.382 144 I CB -0.292 37.709 38.000 0.001 0.000 1.060 144 I HN 0.376 nan 8.210 nan 0.000 0.418 145 A N -0.073 122.749 122.820 0.003 0.000 1.897 145 A HA -0.224 4.096 4.320 0.000 0.000 0.215 145 A C 2.264 179.850 177.584 0.004 0.000 1.181 145 A CA 1.307 53.346 52.037 0.004 0.000 0.620 145 A CB -0.532 18.469 19.000 0.003 0.000 0.821 145 A HN 0.408 nan 8.150 nan 0.000 0.443 146 Q N -0.532 119.271 119.800 0.004 0.000 2.061 146 Q HA -0.142 4.198 4.340 0.000 0.000 0.204 146 Q C 2.144 178.147 176.000 0.005 0.000 0.984 146 Q CA 1.925 57.730 55.803 0.004 0.000 0.846 146 Q CB -0.293 28.448 28.738 0.005 0.000 0.902 146 Q HN 0.484 nan 8.270 nan 0.000 0.421 147 V N -0.157 119.761 119.914 0.006 0.000 2.307 147 V HA -0.189 3.931 4.120 0.000 0.000 0.245 147 V C 2.171 178.271 176.094 0.010 0.000 1.045 147 V CA 1.906 64.211 62.300 0.009 0.000 1.024 147 V CB -1.104 30.725 31.823 0.009 0.000 0.651 147 V HN 0.562 nan 8.190 nan 0.000 0.449 148 G N -0.461 108.344 108.800 0.009 0.000 2.440 148 G HA2 -0.261 3.699 3.960 0.000 0.000 0.218 148 G HA3 -0.261 3.699 3.960 0.000 0.000 0.218 148 G C 1.693 176.598 174.900 0.009 0.000 1.154 148 G CA 1.632 46.738 45.100 0.011 0.000 0.767 148 G HN 0.459 nan 8.290 nan 0.000 0.552 149 T N 1.357 115.914 114.554 0.006 0.000 2.652 149 T HA -0.106 4.244 4.350 0.000 0.000 0.267 149 T C 2.391 177.092 174.700 0.003 0.000 1.039 149 T CA 1.236 63.338 62.100 0.004 0.000 1.153 149 T CB -0.227 68.643 68.868 0.002 0.000 0.863 149 T HN 0.241 nan 8.240 nan 0.000 0.428 150 I N 1.357 121.929 120.570 0.003 0.000 2.264 150 I HA -0.166 4.004 4.170 0.000 0.000 0.248 150 I C 2.396 178.515 176.117 0.004 0.000 1.111 150 I CA 1.099 62.400 61.300 0.002 0.000 1.382 150 I CB -0.269 37.733 38.000 0.002 0.000 1.060 150 I HN 0.200 nan 8.210 nan 0.000 0.418 151 S N 0.521 116.226 115.700 0.009 0.000 2.522 151 S HA 0.121 4.591 4.470 0.000 0.000 0.227 151 S C 1.498 176.103 174.600 0.009 0.000 0.986 151 S CA 0.683 58.890 58.200 0.012 0.000 0.929 151 S CB -0.001 63.213 63.200 0.023 0.000 0.769 151 S HN 0.467 nan 8.310 nan 0.000 0.529 152 A N 1.595 124.418 122.820 0.006 0.000 2.708 152 A HA 0.497 4.817 4.320 0.000 0.000 0.293 152 A C 0.651 178.235 177.584 -0.000 0.000 1.303 152 A CA -0.453 51.587 52.037 0.004 0.000 0.949 152 A CB -0.639 18.364 19.000 0.005 0.000 1.121 152 A HN 0.323 nan 8.150 nan 0.000 0.542 153 N N -0.400 118.299 118.700 -0.002 0.000 2.747 153 N HA -0.220 4.520 4.740 0.000 0.000 0.249 153 N C 0.183 175.690 175.510 -0.006 0.000 1.107 153 N CA 1.197 54.243 53.050 -0.006 0.000 0.707 153 N CB -1.813 36.670 38.487 -0.007 0.000 1.054 153 N HN 0.576 nan 8.380 nan 0.000 0.555 154 S N -1.793 113.904 115.700 -0.004 0.000 3.576 154 S HA -0.205 4.265 4.470 0.000 0.000 0.294 154 S C -0.475 174.123 174.600 -0.003 0.000 1.224 154 S CA 0.637 58.834 58.200 -0.004 0.000 0.866 154 S CB -1.162 62.034 63.200 -0.007 0.000 1.017 154 S HN 0.700 nan 8.310 nan 0.000 0.597 155 D N 1.563 121.962 120.400 -0.002 0.000 2.422 155 D HA 0.284 4.924 4.640 0.000 0.000 0.227 155 D C 1.101 177.401 176.300 0.000 0.000 1.190 155 D CA -0.229 53.771 54.000 -0.001 0.000 0.905 155 D CB 0.447 41.247 40.800 -0.001 0.000 1.034 155 D HN 0.459 nan 8.370 nan 0.000 0.507 156 E N 1.140 121.340 120.200 -0.000 0.000 2.204 156 E HA -0.134 4.216 4.350 0.000 0.000 0.195 156 E C 1.367 177.968 176.600 0.001 0.000 0.990 156 E CA 0.921 57.321 56.400 0.001 0.000 0.821 156 E CB 0.303 30.003 29.700 0.000 0.000 0.750 156 E HN 0.467 nan 8.360 nan 0.000 0.477 157 T N 0.739 115.293 114.554 0.001 0.000 2.684 157 T HA -0.145 4.205 4.350 0.000 0.000 0.267 157 T C 2.075 176.776 174.700 0.002 0.000 1.036 157 T CA 1.231 63.331 62.100 0.001 0.000 1.148 157 T CB -0.178 68.690 68.868 0.000 0.000 0.863 157 T HN 0.010 nan 8.240 nan 0.000 0.436 158 V N 1.237 121.152 119.914 0.003 0.000 2.427 158 V HA -0.067 4.053 4.120 0.000 0.000 0.248 158 V C 2.803 178.900 176.094 0.005 0.000 1.051 158 V CA 1.801 64.103 62.300 0.004 0.000 1.048 158 V CB -1.345 30.481 31.823 0.005 0.000 0.666 158 V HN 0.594 nan 8.190 nan 0.000 0.456 159 G N -0.355 108.447 108.800 0.004 0.000 2.433 159 G HA2 -0.300 3.660 3.960 0.000 0.000 0.216 159 G HA3 -0.300 3.660 3.960 0.000 0.000 0.216 159 G C 1.637 176.539 174.900 0.004 0.000 1.186 159 G CA 1.047 46.150 45.100 0.004 0.000 0.779 159 G HN 0.453 nan 8.290 nan 0.000 0.543 160 K N -0.050 120.352 120.400 0.003 0.000 2.044 160 K HA -0.032 4.288 4.320 0.000 0.000 0.210 160 K C 2.574 179.176 176.600 0.002 0.000 1.049 160 K CA 1.075 57.363 56.287 0.002 0.000 0.927 160 K CB -0.306 32.195 32.500 0.002 0.000 0.713 160 K HN 0.339 nan 8.250 nan 0.000 0.443 161 L N 0.684 121.909 121.223 0.003 0.000 1.989 161 L HA -0.225 4.115 4.340 0.000 0.000 0.211 161 L C 2.445 179.317 176.870 0.003 0.000 1.071 161 L CA 1.351 56.193 54.840 0.003 0.000 0.749 161 L CB -0.317 41.745 42.059 0.003 0.000 0.890 161 L HN 0.248 nan 8.230 nan 0.000 0.431 162 I N -0.529 120.044 120.570 0.004 0.000 2.315 162 I HA -0.262 3.908 4.170 0.000 0.000 0.248 162 I C 2.717 178.835 176.117 0.002 0.000 1.117 162 I CA 1.067 62.370 61.300 0.004 0.000 1.404 162 I CB -0.418 37.586 38.000 0.007 0.000 1.071 162 I HN 0.201 nan 8.210 nan 0.000 0.419 163 A N 0.359 123.180 122.820 0.002 0.000 1.933 163 A HA -0.209 4.111 4.320 0.000 0.000 0.218 163 A C 2.224 179.809 177.584 0.001 0.000 1.175 163 A CA 1.605 53.643 52.037 0.001 0.000 0.628 163 A CB -0.480 18.521 19.000 0.002 0.000 0.814 163 A HN 0.438 nan 8.150 nan 0.000 0.444 164 E N -0.285 119.916 120.200 0.001 0.000 2.046 164 E HA -0.054 4.296 4.350 0.000 0.000 0.190 164 E C 2.397 178.998 176.600 0.001 0.000 0.982 164 E CA 0.790 57.190 56.400 0.001 0.000 0.800 164 E CB -0.298 29.403 29.700 0.001 0.000 0.756 164 E HN 0.596 nan 8.360 nan 0.000 0.449 165 A N 1.461 124.281 122.820 0.001 0.000 1.873 165 A HA -0.239 4.081 4.320 0.000 0.000 0.218 165 A C 2.197 179.780 177.584 -0.001 0.000 1.193 165 A CA 1.737 53.775 52.037 0.000 0.000 0.629 165 A CB -0.570 18.431 19.000 0.001 0.000 0.826 165 A HN 0.158 nan 8.150 nan 0.000 0.447 166 M N -1.279 118.321 119.600 -0.001 0.000 2.296 166 M HA -0.147 4.333 4.480 0.000 0.000 0.265 166 M C 1.773 178.072 176.300 -0.002 0.000 1.064 166 M CA 1.812 57.110 55.300 -0.002 0.000 1.109 166 M CB -0.501 32.097 32.600 -0.003 0.000 1.396 166 M HN 0.495 nan 8.290 nan 0.000 0.430 167 D N 0.467 120.867 120.400 -0.001 0.000 2.178 167 D HA -0.121 4.519 4.640 0.000 0.000 0.202 167 D C 2.025 178.324 176.300 -0.000 0.000 0.974 167 D CA 1.043 55.043 54.000 -0.000 0.000 0.841 167 D CB 0.311 41.111 40.800 0.000 0.000 0.953 167 D HN 0.054 nan 8.370 nan 0.000 0.478 168 K N -0.284 120.116 120.400 -0.000 0.000 2.067 168 K HA 0.010 4.330 4.320 0.000 0.000 0.203 168 K C 1.923 178.523 176.600 -0.000 0.000 1.048 168 K CA 1.044 57.331 56.287 -0.000 0.000 0.954 168 K CB -0.040 32.460 32.500 0.000 0.000 0.737 168 K HN 0.264 nan 8.250 nan 0.000 0.444 169 V N -2.819 117.095 119.914 -0.000 0.000 3.578 169 V HA 0.392 4.513 4.120 0.000 0.000 0.290 169 V C 0.536 176.629 176.094 -0.001 0.000 1.376 169 V CA 0.172 62.472 62.300 -0.000 0.000 1.083 169 V CB -0.296 31.527 31.823 0.000 0.000 0.911 169 V HN 0.331 nan 8.190 nan 0.000 0.433 170 G N 2.171 110.970 108.800 -0.002 0.000 2.705 170 G HA2 -0.174 3.786 3.960 0.000 0.000 0.686 170 G HA3 -0.174 3.786 3.960 0.000 0.000 0.686 170 G C 0.151 175.049 174.900 -0.004 0.000 1.285 170 G CA -0.090 45.008 45.100 -0.002 0.000 0.800 170 G HN 0.701 nan 8.290 nan 0.000 0.611 171 K N -0.156 120.241 120.400 -0.005 0.000 2.442 171 K HA 0.027 4.347 4.320 0.000 0.000 0.198 171 K C 0.917 177.511 176.600 -0.011 0.000 1.042 171 K CA 1.585 57.868 56.287 -0.008 0.000 0.958 171 K CB 0.328 32.824 32.500 -0.007 0.000 0.766 171 K HN 0.495 nan 8.250 nan 0.000 0.474 172 E N 1.434 121.629 120.200 -0.009 0.000 2.501 172 E HA 0.100 4.450 4.350 0.000 0.000 0.200 172 E C 0.637 177.233 176.600 -0.007 0.000 1.016 172 E CA -0.057 56.337 56.400 -0.010 0.000 0.921 172 E CB 0.932 30.628 29.700 -0.006 0.000 1.034 172 E HN 0.401 nan 8.360 nan 0.000 0.468 173 G N 0.829 109.626 108.800 -0.006 0.000 2.580 173 G HA2 0.294 4.254 3.960 0.000 0.000 0.278 173 G HA3 0.294 4.254 3.960 0.000 0.000 0.278 173 G C 0.092 174.988 174.900 -0.006 0.000 1.212 173 G CA -0.485 44.613 45.100 -0.004 0.000 0.939 173 G HN -0.034 nan 8.290 nan 0.000 0.513 174 V N 0.692 120.605 119.914 -0.002 0.000 2.455 174 V HA 0.328 4.449 4.120 0.000 0.000 0.273 174 V C 0.148 176.240 176.094 -0.003 0.000 1.045 174 V CA 0.087 62.385 62.300 -0.004 0.000 0.976 174 V CB 0.458 32.281 31.823 -0.001 0.000 0.993 174 V HN 0.414 nan 8.190 nan 0.000 0.475 175 I N 4.506 125.073 120.570 -0.005 0.000 2.466 175 I HA 0.498 4.668 4.170 0.000 0.000 0.289 175 I C 0.092 176.210 176.117 0.001 0.000 1.026 175 I CA -0.133 61.166 61.300 -0.002 0.000 1.078 175 I CB 2.279 40.278 38.000 -0.002 0.000 1.249 175 I HN 0.578 nan 8.210 nan 0.000 0.429 176 T N 4.665 119.220 114.554 0.002 0.000 2.940 176 T HA 0.692 5.042 4.350 0.000 0.000 0.288 176 T C -0.446 174.257 174.700 0.005 0.000 1.045 176 T CA -0.745 61.358 62.100 0.004 0.000 1.018 176 T CB 2.442 71.311 68.868 0.001 0.000 1.151 176 T HN 0.434 nan 8.240 nan 0.000 0.529 177 V N -1.116 118.802 119.914 0.006 0.000 2.709 177 V HA 0.812 4.932 4.120 0.000 0.000 0.308 177 V C -1.046 175.050 176.094 0.003 0.000 1.062 177 V CA -0.815 61.488 62.300 0.005 0.000 0.901 177 V CB 1.714 33.542 31.823 0.009 0.000 1.003 177 V HN 0.941 nan 8.190 nan 0.000 0.425 178 E N 1.822 122.023 120.200 0.001 0.000 2.410 178 E HA 0.447 4.798 4.350 0.000 0.000 0.269 178 E C -1.508 175.091 176.600 -0.002 0.000 0.937 178 E CA -1.096 55.303 56.400 -0.002 0.000 0.793 178 E CB 1.661 31.359 29.700 -0.004 0.000 1.314 178 E HN 0.787 nan 8.360 nan 0.000 0.447 179 D N 0.952 121.350 120.400 -0.003 0.000 2.443 179 D HA 0.160 4.800 4.640 0.000 0.000 0.239 179 D C 0.157 176.454 176.300 -0.004 0.000 1.136 179 D CA 0.376 54.374 54.000 -0.004 0.000 0.879 179 D CB 0.812 41.609 40.800 -0.005 0.000 1.195 179 D HN 0.489 nan 8.370 nan 0.000 0.443 180 G N -0.192 108.606 108.800 -0.003 0.000 2.572 180 G HA2 0.295 4.255 3.960 0.000 0.000 0.261 180 G HA3 0.295 4.255 3.960 0.000 0.000 0.261 180 G C 1.045 175.942 174.900 -0.004 0.000 1.197 180 G CA -0.169 44.929 45.100 -0.003 0.000 0.870 180 G HN 0.465 nan 8.290 nan 0.000 0.548 181 T N -2.500 112.052 114.554 -0.004 0.000 3.057 181 T HA 0.441 4.791 4.350 0.000 0.000 0.254 181 T C 1.150 175.848 174.700 -0.004 0.000 1.094 181 T CA 0.989 63.086 62.100 -0.005 0.000 1.088 181 T CB 0.259 69.124 68.868 -0.005 0.000 0.934 181 T HN 1.036 nan 8.240 nan 0.000 0.497 182 G N 0.352 109.150 108.800 -0.003 0.000 2.894 182 G HA2 0.454 4.414 3.960 0.000 0.000 0.164 182 G HA3 0.454 4.414 3.960 0.000 0.000 0.164 182 G C -0.131 174.767 174.900 -0.003 0.000 1.180 182 G CA 0.036 45.134 45.100 -0.003 0.000 0.997 182 G HN 0.108 nan 8.290 nan 0.000 0.572 183 L N 0.071 121.293 121.223 -0.002 0.000 2.298 183 L HA 0.403 4.743 4.340 0.000 0.000 0.209 183 L C 0.718 177.587 176.870 -0.002 0.000 1.084 183 L CA 1.068 55.906 54.840 -0.002 0.000 0.816 183 L CB -0.345 41.713 42.059 -0.002 0.000 0.967 183 L HN 0.495 nan 8.230 nan 0.000 0.460 184 Q N 0.475 120.274 119.800 -0.002 0.000 2.205 184 Q HA 0.195 4.535 4.340 0.000 0.000 0.249 184 Q C -0.850 175.149 176.000 -0.001 0.000 0.948 184 Q CA -0.869 54.933 55.803 -0.001 0.000 0.895 184 Q CB 1.447 30.184 28.738 -0.001 0.000 1.249 184 Q HN 0.129 nan 8.270 nan 0.000 0.458 185 D N 1.745 122.145 120.400 -0.001 0.000 2.362 185 D HA 0.105 4.745 4.640 0.000 0.000 0.242 185 D C -0.572 175.728 176.300 -0.001 0.000 1.132 185 D CA 0.392 54.391 54.000 -0.001 0.000 0.907 185 D CB 0.794 41.594 40.800 -0.000 0.000 1.195 185 D HN 0.354 nan 8.370 nan 0.000 0.429 186 E N 0.134 120.334 120.200 -0.001 0.000 2.293 186 E HA 0.494 4.844 4.350 0.000 0.000 0.270 186 E C -1.083 175.517 176.600 -0.001 0.000 0.879 186 E CA -0.913 55.487 56.400 -0.001 0.000 0.756 186 E CB 2.447 32.146 29.700 -0.002 0.000 1.208 186 E HN 0.074 nan 8.360 nan 0.000 0.428 187 L N 3.841 125.063 121.223 -0.000 0.000 2.372 187 L HA 0.434 4.774 4.340 0.000 0.000 0.273 187 L C -1.767 175.103 176.870 -0.000 0.000 0.989 187 L CA -0.324 54.516 54.840 -0.000 0.000 0.841 187 L CB 1.016 43.075 42.059 0.000 0.000 1.225 187 L HN 0.494 nan 8.230 nan 0.000 0.414 188 D N 3.893 124.293 120.400 -0.001 0.000 2.547 188 D HA 0.472 5.112 4.640 0.000 0.000 0.231 188 D C -1.020 175.280 176.300 -0.000 0.000 1.099 188 D CA -0.548 53.452 54.000 -0.001 0.000 0.901 188 D CB 2.241 43.040 40.800 -0.001 0.000 1.478 188 D HN 0.206 nan 8.370 nan 0.000 0.471 189 V N 0.761 120.675 119.914 0.000 0.000 2.370 189 V HA 0.434 4.554 4.120 0.000 0.000 0.283 189 V C 0.601 176.696 176.094 0.002 0.000 1.023 189 V CA -0.704 61.597 62.300 0.001 0.000 0.857 189 V CB 1.039 32.862 31.823 0.001 0.000 0.985 189 V HN 0.603 nan 8.190 nan 0.000 0.443 190 V N 1.821 121.737 119.914 0.002 0.000 3.177 190 V HA 0.707 4.827 4.120 0.000 0.000 0.319 190 V C -0.094 176.003 176.094 0.006 0.000 1.125 190 V CA -0.973 61.329 62.300 0.003 0.000 1.029 190 V CB 1.936 33.760 31.823 0.001 0.000 1.119 190 V HN 0.645 nan 8.190 nan 0.000 0.452 191 E N 1.244 121.447 120.200 0.006 0.000 2.290 191 E HA 0.648 4.998 4.350 0.000 0.000 0.277 191 E C 0.259 176.867 176.600 0.014 0.000 1.035 191 E CA 0.980 57.386 56.400 0.010 0.000 0.873 191 E CB 0.778 30.484 29.700 0.009 0.000 1.029 191 E HN 1.249 nan 8.360 nan 0.000 0.419 192 G N 1.315 110.128 108.800 0.020 0.000 2.320 192 G HA2 0.471 4.431 3.960 0.000 0.000 0.296 192 G HA3 0.471 4.431 3.960 0.000 0.000 0.296 192 G C -1.309 173.615 174.900 0.040 0.000 1.306 192 G CA -0.729 44.389 45.100 0.030 0.000 0.836 192 G HN 0.394 nan 8.290 nan 0.000 0.517 193 M N -0.167 119.467 119.600 0.056 0.000 2.643 193 M HA 0.532 5.012 4.480 0.000 0.000 0.276 193 M C -2.010 174.343 176.300 0.088 0.000 1.200 193 M CA -0.626 54.724 55.300 0.084 0.000 0.863 193 M CB 2.584 35.258 32.600 0.123 0.000 1.711 193 M HN 0.757 nan 8.290 nan 0.000 0.492 194 Q N 3.028 122.882 119.800 0.090 0.000 2.347 194 Q HA 0.719 5.059 4.340 0.000 0.000 0.271 194 Q C -2.127 173.941 176.000 0.113 0.000 1.064 194 Q CA -0.641 55.177 55.803 0.025 0.000 0.800 194 Q CB 2.145 30.872 28.738 -0.018 0.000 1.304 194 Q HN 0.566 nan 8.270 nan 0.000 0.438 195 F N -0.118 119.835 119.950 0.005 0.000 2.613 195 F HA 0.506 5.033 4.527 0.000 0.000 0.314 195 F C -0.515 175.287 175.800 0.005 0.000 1.075 195 F CA -1.143 56.861 58.000 0.006 0.000 0.945 195 F CB 1.241 40.247 39.000 0.009 0.000 1.310 195 F HN 0.340 nan 8.300 nan 0.000 0.467 196 D N 3.006 123.526 120.400 0.200 0.000 2.934 196 D HA 0.137 4.777 4.640 0.000 0.000 0.237 196 D C -0.295 176.066 176.300 0.101 0.000 1.158 196 D CA 0.314 54.364 54.000 0.084 0.000 0.971 196 D CB -0.063 40.789 40.800 0.087 0.000 1.123 196 D HN 0.285 nan 8.370 nan 0.000 0.467 197 R N -0.005 120.517 120.500 0.037 0.000 2.621 197 R HA 0.545 4.885 4.340 0.000 0.000 0.284 197 R C 0.293 176.536 176.300 -0.095 0.000 0.998 197 R CA -0.721 55.409 56.100 0.049 0.000 0.895 197 R CB 2.169 32.628 30.300 0.265 0.000 1.195 197 R HN 0.133 nan 8.270 nan 0.000 0.450 198 G N 0.899 109.630 108.800 -0.115 0.000 2.753 198 G HA2 0.459 4.419 3.960 0.000 0.000 0.285 198 G HA3 0.459 4.419 3.960 0.000 0.000 0.285 198 G C -0.675 174.152 174.900 -0.123 0.000 1.344 198 G CA -0.577 44.382 45.100 -0.234 0.000 1.050 198 G HN 0.448 nan 8.290 nan 0.000 0.532 199 Y N -1.343 119.004 120.300 0.078 0.000 2.550 199 Y HA 0.379 4.929 4.550 0.000 0.000 0.343 199 Y C 1.168 177.177 175.900 0.182 0.000 1.245 199 Y CA -0.879 57.326 58.100 0.176 0.000 1.462 199 Y CB 0.472 39.078 38.460 0.243 0.000 1.340 199 Y HN 0.164 nan 8.280 nan 0.000 0.604 200 L N 1.507 123.037 121.223 0.512 0.000 2.529 200 L HA 0.146 4.486 4.340 0.000 0.000 0.223 200 L C 0.403 177.428 176.870 0.259 0.000 1.113 200 L CA 0.602 55.645 54.840 0.339 0.000 0.861 200 L CB -0.149 42.101 42.059 0.318 0.000 1.012 200 L HN 0.830 nan 8.230 nan 0.000 0.461 201 S N -2.838 112.992 115.700 0.218 0.000 2.541 201 S HA 0.424 4.894 4.470 0.000 0.000 0.271 201 S C -2.462 171.991 174.600 -0.246 0.000 1.133 201 S CA -1.131 57.026 58.200 -0.071 0.000 0.876 201 S CB 1.889 64.921 63.200 -0.279 0.000 1.105 201 S HN -0.277 nan 8.310 nan 0.000 0.470 202 P HA -0.031 nan 4.420 nan 0.000 0.222 202 P C 0.605 177.533 177.300 -0.620 0.000 1.147 202 P CA 0.988 63.704 63.100 -0.640 0.000 0.790 202 P CB -0.229 31.185 31.700 -0.477 0.000 0.780 203 Y N -2.027 118.026 120.300 -0.410 0.000 2.333 203 Y HA -0.117 4.433 4.550 0.000 0.000 0.290 203 Y C 1.900 177.639 175.900 -0.268 0.000 1.144 203 Y CA 0.788 58.685 58.100 -0.338 0.000 1.228 203 Y CB -1.429 36.826 38.460 -0.342 0.000 0.985 203 Y HN -0.073 nan 8.280 nan 0.000 0.542 204 F N -0.139 119.784 119.950 -0.046 0.000 2.451 204 F HA -0.062 4.465 4.527 0.000 0.000 0.299 204 F C 1.026 176.756 175.800 -0.116 0.000 1.101 204 F CA -0.338 57.627 58.000 -0.059 0.000 1.436 204 F CB -1.195 37.784 39.000 -0.035 0.000 1.074 204 F HN -0.129 nan 8.300 nan 0.000 0.553 205 I N 2.533 123.051 120.570 -0.086 0.000 2.769 205 I HA -0.169 4.001 4.170 0.000 0.000 0.285 205 I C 1.028 177.134 176.117 -0.019 0.000 1.173 205 I CA 0.227 61.461 61.300 -0.111 0.000 1.389 205 I CB 0.126 37.990 38.000 -0.227 0.000 1.404 205 I HN 0.155 nan 8.210 nan 0.000 0.544 206 N N 5.558 124.263 118.700 0.009 0.000 2.282 206 N HA -0.003 4.737 4.740 0.000 0.000 0.185 206 N C 0.100 175.613 175.510 0.005 0.000 1.099 206 N CA 0.207 53.266 53.050 0.016 0.000 0.878 206 N CB 0.319 38.822 38.487 0.027 0.000 0.993 206 N HN 0.412 nan 8.380 nan 0.000 0.481 207 K N 1.237 121.636 120.400 -0.001 0.000 2.682 207 K HA 0.267 4.588 4.320 0.000 0.000 0.189 207 K C -2.032 174.563 176.600 -0.009 0.000 1.062 207 K CA -1.761 54.525 56.287 -0.002 0.000 0.997 207 K CB 1.724 34.226 32.500 0.004 0.000 1.405 207 K HN 0.030 nan 8.250 nan 0.000 0.588 208 P HA -0.175 nan 4.420 nan 0.000 0.224 208 P C 0.219 177.509 177.300 -0.016 0.000 1.142 208 P CA 1.166 64.253 63.100 -0.022 0.000 0.778 208 P CB 0.433 32.120 31.700 -0.021 0.000 0.764 209 E N -0.662 119.531 120.200 -0.012 0.000 2.112 209 E HA -0.052 4.298 4.350 0.000 0.000 0.190 209 E C 1.588 178.179 176.600 -0.014 0.000 0.979 209 E CA 1.338 57.730 56.400 -0.014 0.000 0.814 209 E CB -0.917 28.776 29.700 -0.011 0.000 0.762 209 E HN 0.209 nan 8.360 nan 0.000 0.460 210 T N -0.836 113.715 114.554 -0.005 0.000 3.086 210 T HA 0.227 4.577 4.350 0.000 0.000 0.250 210 T C 1.124 175.835 174.700 0.019 0.000 1.074 210 T CA 0.347 62.449 62.100 0.003 0.000 0.988 210 T CB 0.467 69.342 68.868 0.012 0.000 0.988 210 T HN 0.346 nan 8.240 nan 0.000 0.530 211 G N 1.838 110.645 108.800 0.012 0.000 2.341 211 G HA2 -0.047 3.913 3.960 0.000 0.000 0.292 211 G HA3 -0.047 3.913 3.960 0.000 0.000 0.292 211 G C 0.131 175.076 174.900 0.075 0.000 1.021 211 G CA 0.208 45.322 45.100 0.024 0.000 0.905 211 G HN 0.896 nan 8.290 nan 0.000 0.508 212 A N -1.448 121.404 122.820 0.053 0.000 2.387 212 A HA 0.921 5.241 4.320 0.000 0.000 0.303 212 A C -0.211 177.406 177.584 0.054 0.000 1.145 212 A CA -0.350 51.742 52.037 0.092 0.000 0.801 212 A CB 2.063 21.104 19.000 0.069 0.000 1.342 212 A HN 1.137 nan 8.150 nan 0.000 0.440 213 V N 1.025 120.993 119.914 0.090 0.000 2.417 213 V HA 0.497 4.617 4.120 0.000 0.000 0.291 213 V C -0.134 175.986 176.094 0.043 0.000 1.024 213 V CA -0.357 61.982 62.300 0.065 0.000 0.861 213 V CB 1.193 33.079 31.823 0.104 0.000 0.985 213 V HN 0.911 nan 8.190 nan 0.000 0.436 214 E N 4.452 124.666 120.200 0.023 0.000 2.224 214 E HA 0.680 5.030 4.350 0.000 0.000 0.265 214 E C -1.745 174.855 176.600 -0.000 0.000 0.878 214 E CA -0.608 55.798 56.400 0.009 0.000 0.759 214 E CB 1.840 31.544 29.700 0.007 0.000 1.164 214 E HN 0.604 nan 8.360 nan 0.000 0.414 215 L N 3.229 124.447 121.223 -0.010 0.000 2.386 215 L HA 0.489 4.829 4.340 0.000 0.000 0.271 215 L C -0.498 176.354 176.870 -0.029 0.000 0.993 215 L CA -0.771 54.057 54.840 -0.020 0.000 0.819 215 L CB 2.092 44.136 42.059 -0.025 0.000 1.294 215 L HN 0.461 nan 8.230 nan 0.000 0.414 216 E N 1.387 121.565 120.200 -0.037 0.000 2.151 216 E HA 0.325 4.675 4.350 0.000 0.000 0.275 216 E C -0.384 176.169 176.600 -0.078 0.000 0.936 216 E CA -0.577 55.795 56.400 -0.048 0.000 0.777 216 E CB 1.638 31.316 29.700 -0.037 0.000 1.108 216 E HN 0.602 nan 8.360 nan 0.000 0.401 217 S N 2.048 117.692 115.700 -0.094 0.000 3.550 217 S HA -0.126 4.344 4.470 0.000 0.000 0.372 217 S C -2.220 172.238 174.600 -0.236 0.000 0.966 217 S CA 0.262 58.371 58.200 -0.152 0.000 1.229 217 S CB -1.368 61.741 63.200 -0.153 0.000 0.917 217 S HN 0.468 nan 8.310 nan 0.000 0.496 218 P HA 0.545 nan 4.420 nan 0.000 0.282 218 P C -0.054 177.112 177.300 -0.223 0.000 1.259 218 P CA -0.707 62.288 63.100 -0.174 0.000 0.826 218 P CB 0.501 32.165 31.700 -0.060 0.000 1.064 219 F N 0.605 120.552 119.950 -0.005 0.000 2.389 219 F HA 0.351 4.878 4.527 0.000 0.000 0.337 219 F C 0.954 176.752 175.800 -0.003 0.000 1.112 219 F CA -0.030 57.968 58.000 -0.003 0.000 1.192 219 F CB 0.286 39.283 39.000 -0.005 0.000 1.185 219 F HN 0.048 nan 8.300 nan 0.000 0.552 220 I N 4.242 124.947 120.570 0.224 0.000 2.411 220 I HA 0.214 4.384 4.170 0.000 0.000 0.284 220 I C -1.055 175.118 176.117 0.093 0.000 1.012 220 I CA -0.790 60.584 61.300 0.123 0.000 1.119 220 I CB 1.487 39.544 38.000 0.094 0.000 1.261 220 I HN 0.275 nan 8.210 nan 0.000 0.448 221 L N 8.395 129.657 121.223 0.065 0.000 2.281 221 L HA 0.419 4.759 4.340 0.000 0.000 0.285 221 L C -0.799 176.088 176.870 0.027 0.000 1.074 221 L CA 0.165 55.025 54.840 0.033 0.000 0.817 221 L CB 0.510 42.581 42.059 0.019 0.000 1.168 221 L HN 0.462 nan 8.230 nan 0.000 0.434 222 L N 6.724 127.956 121.223 0.016 0.000 2.335 222 L HA 0.636 4.976 4.340 0.000 0.000 0.268 222 L C 0.017 176.886 176.870 -0.002 0.000 1.037 222 L CA -0.308 54.535 54.840 0.004 0.000 0.895 222 L CB 0.939 42.996 42.059 -0.003 0.000 1.266 222 L HN 0.768 nan 8.230 nan 0.000 0.439 223 A N 1.182 124.003 122.820 0.002 0.000 2.271 223 A HA 0.395 4.715 4.320 0.000 0.000 0.317 223 A C -0.269 177.315 177.584 0.000 0.000 1.245 223 A CA -0.461 51.577 52.037 0.002 0.000 0.857 223 A CB 0.680 19.686 19.000 0.008 0.000 1.175 223 A HN 0.633 nan 8.150 nan 0.000 0.512 224 D N 2.289 122.686 120.400 -0.004 0.000 2.896 224 D HA 0.365 5.005 4.640 0.000 0.000 0.240 224 D C 0.017 176.319 176.300 0.003 0.000 1.193 224 D CA 0.165 54.162 54.000 -0.005 0.000 0.983 224 D CB -0.585 40.208 40.800 -0.012 0.000 1.074 224 D HN 0.636 nan 8.370 nan 0.000 0.496 225 K N -1.104 119.302 120.400 0.010 0.000 2.809 225 K HA 0.305 4.625 4.320 0.000 0.000 0.293 225 K C -1.244 175.370 176.600 0.023 0.000 1.061 225 K CA -1.171 55.126 56.287 0.016 0.000 0.837 225 K CB 0.677 33.185 32.500 0.013 0.000 1.524 225 K HN -0.205 nan 8.250 nan 0.000 0.370 226 K N 1.140 121.556 120.400 0.026 0.000 2.276 226 K HA 0.365 4.685 4.320 0.000 0.000 0.283 226 K C -0.575 176.044 176.600 0.031 0.000 1.044 226 K CA -0.406 55.900 56.287 0.032 0.000 0.944 226 K CB 0.687 33.207 32.500 0.033 0.000 1.012 226 K HN 0.370 nan 8.250 nan 0.000 0.472 227 I N 2.530 123.122 120.570 0.037 0.000 2.306 227 I HA 0.046 4.216 4.170 0.000 0.000 0.288 227 I C 0.562 176.702 176.117 0.039 0.000 1.036 227 I CA 0.043 61.364 61.300 0.036 0.000 1.221 227 I CB 1.527 39.550 38.000 0.038 0.000 1.385 227 I HN 0.665 nan 8.210 nan 0.000 0.472 228 S N 3.519 119.238 115.700 0.032 0.000 2.545 228 S HA 0.189 4.659 4.470 0.000 0.000 0.232 228 S C 0.686 175.303 174.600 0.029 0.000 1.070 228 S CA -0.048 58.171 58.200 0.032 0.000 0.923 228 S CB 0.224 63.440 63.200 0.026 0.000 0.806 228 S HN 0.588 nan 8.310 nan 0.000 0.506 229 N N 1.842 120.557 118.700 0.024 0.000 2.438 229 N HA 0.290 5.030 4.740 0.000 0.000 0.282 229 N C 0.538 176.061 175.510 0.022 0.000 1.037 229 N CA -0.141 52.921 53.050 0.020 0.000 0.942 229 N CB 1.714 40.210 38.487 0.015 0.000 1.136 229 N HN 0.112 nan 8.380 nan 0.000 0.481 230 I N 2.581 123.164 120.570 0.021 0.000 2.315 230 I HA -0.226 3.944 4.170 0.000 0.000 0.248 230 I C 2.091 178.217 176.117 0.015 0.000 1.117 230 I CA 1.075 62.388 61.300 0.021 0.000 1.404 230 I CB 0.156 38.168 38.000 0.021 0.000 1.071 230 I HN 0.493 nan 8.210 nan 0.000 0.419 231 R N 0.846 121.353 120.500 0.011 0.000 2.159 231 R HA -0.284 4.056 4.340 0.000 0.000 0.249 231 R C 2.000 178.303 176.300 0.005 0.000 1.136 231 R CA 2.595 58.700 56.100 0.007 0.000 0.951 231 R CB -0.576 29.727 30.300 0.006 0.000 0.876 231 R HN 0.575 nan 8.270 nan 0.000 0.440 232 E N -0.322 119.882 120.200 0.007 0.000 2.118 232 E HA -0.197 4.153 4.350 0.000 0.000 0.195 232 E C 2.012 178.613 176.600 0.002 0.000 0.992 232 E CA 1.112 57.515 56.400 0.004 0.000 0.804 232 E CB -0.062 29.642 29.700 0.007 0.000 0.741 232 E HN 0.291 nan 8.360 nan 0.000 0.458 233 M N 0.339 119.943 119.600 0.006 0.000 2.236 233 M HA -0.016 4.464 4.480 0.000 0.000 0.266 233 M C 2.349 178.649 176.300 -0.001 0.000 1.070 233 M CA 0.921 56.224 55.300 0.004 0.000 1.137 233 M CB -0.789 31.819 32.600 0.014 0.000 1.378 233 M HN 0.143 nan 8.290 nan 0.000 0.426 234 L N 0.649 121.872 121.223 0.001 0.000 2.040 234 L HA -0.281 4.059 4.340 0.000 0.000 0.228 234 L C -0.270 176.595 176.870 -0.009 0.000 1.092 234 L CA 2.165 57.004 54.840 -0.001 0.000 0.805 234 L CB -2.601 39.458 42.059 -0.000 0.000 0.905 234 L HN 0.192 nan 8.230 nan 0.000 0.443 235 P HA -0.119 nan 4.420 nan 0.000 0.217 235 P C 1.850 179.130 177.300 -0.034 0.000 1.150 235 P CA 1.475 64.562 63.100 -0.021 0.000 0.832 235 P CB 0.003 31.690 31.700 -0.021 0.000 0.787 236 V N 0.123 120.016 119.914 -0.035 0.000 2.453 236 V HA -0.167 3.954 4.120 0.000 0.000 0.247 236 V C 2.818 178.883 176.094 -0.048 0.000 1.048 236 V CA 1.289 63.556 62.300 -0.054 0.000 1.049 236 V CB -1.154 30.640 31.823 -0.048 0.000 0.672 236 V HN 0.001 nan 8.190 nan 0.000 0.457 237 L N -0.189 121.021 121.223 -0.023 0.000 2.046 237 L HA -0.183 4.157 4.340 0.000 0.000 0.208 237 L C 2.579 179.445 176.870 -0.007 0.000 1.077 237 L CA 1.725 56.560 54.840 -0.008 0.000 0.747 237 L CB -0.541 41.521 42.059 0.004 0.000 0.896 237 L HN 0.397 nan 8.230 nan 0.000 0.432 238 E N 0.060 120.252 120.200 -0.012 0.000 2.107 238 E HA -0.149 4.201 4.350 0.000 0.000 0.191 238 E C 2.294 178.882 176.600 -0.019 0.000 0.982 238 E CA 0.955 57.349 56.400 -0.010 0.000 0.809 238 E CB -0.145 29.549 29.700 -0.010 0.000 0.756 238 E HN 0.472 nan 8.360 nan 0.000 0.459 239 A N 1.029 123.824 122.820 -0.043 0.000 1.933 239 A HA -0.139 4.181 4.320 0.000 0.000 0.218 239 A C 2.477 180.014 177.584 -0.077 0.000 1.175 239 A CA 1.118 53.113 52.037 -0.070 0.000 0.628 239 A CB -0.558 18.377 19.000 -0.108 0.000 0.814 239 A HN 0.117 nan 8.150 nan 0.000 0.444 240 V N -0.202 119.670 119.914 -0.070 0.000 2.358 240 V HA -0.196 3.924 4.120 0.000 0.000 0.246 240 V C 3.041 179.182 176.094 0.078 0.000 1.047 240 V CA 1.687 63.992 62.300 0.007 0.000 1.035 240 V CB -1.268 30.582 31.823 0.044 0.000 0.658 240 V HN 0.601 nan 8.190 nan 0.000 0.452 241 A N -0.364 122.480 122.820 0.041 0.000 1.948 241 A HA -0.296 4.024 4.320 0.000 0.000 0.220 241 A C 2.335 179.945 177.584 0.043 0.000 1.177 241 A CA 2.242 54.304 52.037 0.041 0.000 0.636 241 A CB -0.475 18.539 19.000 0.023 0.000 0.815 241 A HN 0.520 nan 8.150 nan 0.000 0.449 242 K N -0.798 119.622 120.400 0.033 0.000 2.057 242 K HA -0.006 4.314 4.320 0.000 0.000 0.206 242 K C 2.091 178.724 176.600 0.055 0.000 1.050 242 K CA 0.985 57.291 56.287 0.031 0.000 0.935 242 K CB -0.249 32.260 32.500 0.014 0.000 0.715 242 K HN 0.439 nan 8.250 nan 0.000 0.439 243 A N 0.398 123.274 122.820 0.093 0.000 2.209 243 A HA 0.053 4.373 4.320 0.000 0.000 0.212 243 A C 1.317 178.974 177.584 0.123 0.000 1.158 243 A CA 1.060 53.186 52.037 0.149 0.000 0.742 243 A CB -0.597 18.597 19.000 0.323 0.000 0.790 243 A HN 0.469 nan 8.150 nan 0.000 0.472 244 G N -0.716 108.140 108.800 0.094 0.000 2.225 244 G HA2 -0.287 3.673 3.960 0.000 0.000 0.267 244 G HA3 -0.287 3.673 3.960 0.000 0.000 0.267 244 G C 0.125 175.056 174.900 0.051 0.000 1.024 244 G CA 0.951 46.088 45.100 0.060 0.000 0.784 244 G HN 0.628 nan 8.290 nan 0.000 0.507 245 K N 0.298 120.753 120.400 0.092 0.000 2.281 245 K HA 0.598 4.918 4.320 0.000 0.000 0.242 245 K C -2.298 174.340 176.600 0.064 0.000 0.971 245 K CA -2.040 54.261 56.287 0.024 0.000 0.834 245 K CB 2.371 34.792 32.500 -0.133 0.000 1.181 245 K HN 0.043 nan 8.250 nan 0.000 0.435 246 P HA 0.194 nan 4.420 nan 0.000 0.276 246 P C -1.306 176.031 177.300 0.061 0.000 1.252 246 P CA -0.606 62.509 63.100 0.026 0.000 0.802 246 P CB 0.708 32.402 31.700 -0.009 0.000 1.035 247 L N 2.080 123.333 121.223 0.051 0.000 2.356 247 L HA 0.489 4.829 4.340 0.000 0.000 0.277 247 L C -1.244 175.625 176.870 -0.000 0.000 0.996 247 L CA -0.981 53.901 54.840 0.069 0.000 0.822 247 L CB 1.395 43.500 42.059 0.076 0.000 1.256 247 L HN 0.153 nan 8.230 nan 0.000 0.413 248 L N 6.396 127.630 121.223 0.019 0.000 2.257 248 L HA 0.540 4.880 4.340 0.000 0.000 0.290 248 L C -0.880 175.997 176.870 0.013 0.000 1.044 248 L CA -0.116 54.719 54.840 -0.008 0.000 0.810 248 L CB 0.764 42.835 42.059 0.020 0.000 1.193 248 L HN 0.427 nan 8.230 nan 0.000 0.425 249 I N 7.241 127.800 120.570 -0.017 0.000 2.301 249 I HA 0.220 4.390 4.170 0.000 0.000 0.292 249 I C 0.071 176.213 176.117 0.042 0.000 1.046 249 I CA -0.091 61.215 61.300 0.010 0.000 1.282 249 I CB 0.483 38.483 38.000 -0.001 0.000 1.409 249 I HN 0.536 nan 8.210 nan 0.000 0.484 250 I N 6.236 126.840 120.570 0.056 0.000 2.347 250 I HA 0.477 4.647 4.170 0.000 0.000 0.283 250 I C 0.465 176.604 176.117 0.038 0.000 1.058 250 I CA -0.221 61.121 61.300 0.070 0.000 1.202 250 I CB 0.927 38.969 38.000 0.069 0.000 1.386 250 I HN 0.622 nan 8.210 nan 0.000 0.475 251 A N 4.476 127.324 122.820 0.047 0.000 2.346 251 A HA 0.411 4.731 4.320 0.000 0.000 0.313 251 A C 1.047 178.655 177.584 0.039 0.000 1.140 251 A CA -0.546 51.513 52.037 0.036 0.000 0.826 251 A CB 1.252 20.277 19.000 0.041 0.000 1.332 251 A HN 0.724 nan 8.150 nan 0.000 0.457 252 E N -0.706 119.514 120.200 0.032 0.000 2.160 252 E HA -0.155 4.195 4.350 0.000 0.000 0.195 252 E C -0.439 176.194 176.600 0.054 0.000 0.991 252 E CA 1.604 58.027 56.400 0.039 0.000 0.810 252 E CB 0.137 29.858 29.700 0.034 0.000 0.742 252 E HN 0.631 nan 8.360 nan 0.000 0.466 253 D N -2.158 118.276 120.400 0.056 0.000 2.720 253 D HA 0.136 4.776 4.640 0.000 0.000 0.239 253 D C -1.951 174.391 176.300 0.070 0.000 1.218 253 D CA -0.508 53.532 54.000 0.067 0.000 0.748 253 D CB 1.859 42.695 40.800 0.060 0.000 1.387 253 D HN -0.145 nan 8.370 nan 0.000 0.438 254 V N 2.530 122.496 119.914 0.087 0.000 2.349 254 V HA 0.460 4.580 4.120 0.000 0.000 0.284 254 V C 0.091 176.239 176.094 0.091 0.000 1.014 254 V CA -0.627 61.728 62.300 0.092 0.000 0.826 254 V CB 1.290 33.185 31.823 0.120 0.000 1.009 254 V HN 0.425 nan 8.190 nan 0.000 0.431 255 E N 2.427 122.670 120.200 0.071 0.000 2.254 255 E HA 0.557 4.907 4.350 0.000 0.000 0.261 255 E C 1.347 177.981 176.600 0.057 0.000 1.051 255 E CA -0.043 56.394 56.400 0.060 0.000 0.902 255 E CB 1.386 31.114 29.700 0.046 0.000 1.168 255 E HN 0.685 nan 8.360 nan 0.000 0.423 256 G N 1.479 110.308 108.800 0.048 0.000 3.903 256 G HA2 -0.470 3.490 3.960 0.000 0.000 0.260 256 G HA3 -0.470 3.490 3.960 0.000 0.000 0.260 256 G C 1.247 176.171 174.900 0.039 0.000 0.882 256 G CA 1.415 46.539 45.100 0.039 0.000 0.749 256 G HN 0.687 nan 8.290 nan 0.000 1.415 257 E N 0.945 121.164 120.200 0.032 0.000 2.048 257 E HA -0.231 4.119 4.350 0.000 0.000 0.202 257 E C 3.009 179.631 176.600 0.038 0.000 1.021 257 E CA 2.162 58.579 56.400 0.029 0.000 0.825 257 E CB -0.677 29.037 29.700 0.024 0.000 0.756 257 E HN 0.508 nan 8.360 nan 0.000 0.454 258 A N 0.770 123.618 122.820 0.046 0.000 1.898 258 A HA -0.150 4.170 4.320 0.000 0.000 0.216 258 A C 2.251 179.885 177.584 0.083 0.000 1.181 258 A CA 1.341 53.412 52.037 0.057 0.000 0.620 258 A CB -0.630 18.403 19.000 0.055 0.000 0.819 258 A HN 0.318 nan 8.150 nan 0.000 0.442 259 L N -0.124 121.157 121.223 0.097 0.000 1.994 259 L HA -0.063 4.277 4.340 0.000 0.000 0.208 259 L C 2.757 179.687 176.870 0.101 0.000 1.071 259 L CA 2.213 57.135 54.840 0.137 0.000 0.745 259 L CB -0.840 41.297 42.059 0.130 0.000 0.892 259 L HN 0.353 nan 8.230 nan 0.000 0.431 260 A N -1.588 121.265 122.820 0.055 0.000 1.927 260 A HA -0.287 4.033 4.320 0.000 0.000 0.220 260 A C 2.275 179.868 177.584 0.015 0.000 1.185 260 A CA 2.656 54.703 52.037 0.018 0.000 0.639 260 A CB -1.320 17.685 19.000 0.009 0.000 0.820 260 A HN 0.560 nan 8.150 nan 0.000 0.451 261 T N 0.255 114.831 114.554 0.036 0.000 2.770 261 T HA -0.023 4.327 4.350 0.000 0.000 0.263 261 T C 1.815 176.553 174.700 0.064 0.000 1.039 261 T CA 1.337 63.459 62.100 0.036 0.000 1.142 261 T CB -0.367 68.522 68.868 0.035 0.000 0.868 261 T HN 0.386 nan 8.240 nan 0.000 0.435 262 L N 0.856 122.147 121.223 0.115 0.000 2.079 262 L HA -0.102 4.238 4.340 0.000 0.000 0.210 262 L C 2.653 179.672 176.870 0.248 0.000 1.081 262 L CA 0.886 55.841 54.840 0.192 0.000 0.752 262 L CB -0.815 41.406 42.059 0.270 0.000 0.896 262 L HN 0.149 nan 8.230 nan 0.000 0.433 263 V N -0.619 119.383 119.914 0.147 0.000 2.261 263 V HA -0.242 3.878 4.120 0.000 0.000 0.246 263 V C 2.414 178.473 176.094 -0.060 0.000 1.047 263 V CA 1.624 63.911 62.300 -0.022 0.000 1.015 263 V CB -0.256 31.469 31.823 -0.163 0.000 0.642 263 V HN 0.202 nan 8.190 nan 0.000 0.446 264 V N 0.453 120.332 119.914 -0.059 0.000 2.490 264 V HA -0.251 3.869 4.120 0.000 0.000 0.250 264 V C 1.964 178.045 176.094 -0.022 0.000 1.061 264 V CA 2.306 64.565 62.300 -0.068 0.000 1.064 264 V CB -0.980 30.809 31.823 -0.057 0.000 0.670 264 V HN 0.630 nan 8.190 nan 0.000 0.461 265 N N 0.009 118.721 118.700 0.021 0.000 2.376 265 N HA -0.099 4.641 4.740 0.000 0.000 0.177 265 N C 1.842 177.380 175.510 0.048 0.000 1.024 265 N CA 1.324 54.393 53.050 0.032 0.000 0.893 265 N CB 0.033 38.543 38.487 0.039 0.000 0.980 265 N HN 0.638 nan 8.380 nan 0.000 0.439 266 T N -1.517 113.089 114.554 0.087 0.000 3.088 266 T HA 0.068 4.418 4.350 0.000 0.000 0.259 266 T C 1.698 176.438 174.700 0.067 0.000 1.122 266 T CA 0.240 62.401 62.100 0.101 0.000 1.095 266 T CB 0.061 69.046 68.868 0.195 0.000 0.930 266 T HN -0.030 nan 8.240 nan 0.000 0.508 267 M N 1.297 120.912 119.600 0.026 0.000 2.200 267 M HA 0.254 4.734 4.480 0.000 0.000 0.265 267 M C 1.964 178.255 176.300 -0.014 0.000 1.066 267 M CA 1.263 56.553 55.300 -0.016 0.000 1.127 267 M CB -0.112 32.437 32.600 -0.086 0.000 1.379 267 M HN 0.074 nan 8.290 nan 0.000 0.420 268 R N -0.782 119.712 120.500 -0.009 0.000 2.356 268 R HA 0.325 4.665 4.340 0.000 0.000 0.234 268 R C 1.173 177.474 176.300 0.000 0.000 0.929 268 R CA 0.545 56.639 56.100 -0.009 0.000 1.084 268 R CB -0.220 30.073 30.300 -0.012 0.000 1.105 268 R HN 0.590 nan 8.270 nan 0.000 0.515 269 G N 1.483 110.289 108.800 0.010 0.000 2.257 269 G HA2 -0.374 3.586 3.960 0.000 0.000 0.267 269 G HA3 -0.374 3.586 3.960 0.000 0.000 0.267 269 G C 0.986 175.896 174.900 0.016 0.000 0.984 269 G CA 0.638 45.746 45.100 0.013 0.000 0.626 269 G HN 0.328 nan 8.290 nan 0.000 0.540 270 I N -0.217 120.362 120.570 0.015 0.000 2.094 270 I HA -0.198 3.972 4.170 0.000 0.000 0.236 270 I C 1.224 177.354 176.117 0.022 0.000 1.016 270 I CA 2.149 63.458 61.300 0.016 0.000 1.294 270 I CB -0.568 37.441 38.000 0.014 0.000 1.006 270 I HN 0.167 nan 8.210 nan 0.000 0.397 271 V N -0.040 119.891 119.914 0.029 0.000 2.709 271 V HA 0.271 4.391 4.120 0.000 0.000 0.308 271 V C -0.691 175.425 176.094 0.037 0.000 1.062 271 V CA -1.029 61.290 62.300 0.032 0.000 0.901 271 V CB 1.867 33.709 31.823 0.032 0.000 1.003 271 V HN 0.094 nan 8.190 nan 0.000 0.425 272 K N 2.883 123.302 120.400 0.031 0.000 2.219 272 K HA 0.578 4.898 4.320 0.000 0.000 0.280 272 K C -0.821 175.779 176.600 -0.000 0.000 1.104 272 K CA 0.076 56.378 56.287 0.025 0.000 0.925 272 K CB 0.875 33.386 32.500 0.018 0.000 1.261 272 K HN 0.481 nan 8.250 nan 0.000 0.445 273 V N 1.613 121.514 119.914 -0.022 0.000 2.656 273 V HA 0.799 4.919 4.120 0.000 0.000 0.307 273 V C -0.579 175.288 176.094 -0.379 0.000 1.051 273 V CA -1.117 61.115 62.300 -0.114 0.000 0.893 273 V CB 1.880 33.667 31.823 -0.058 0.000 0.999 273 V HN 0.698 nan 8.190 nan 0.000 0.426 274 A N 3.167 125.681 122.820 -0.511 0.000 2.386 274 A HA 0.998 5.318 4.320 0.000 0.000 0.311 274 A C -0.432 176.769 177.584 -0.639 0.000 1.068 274 A CA -0.351 51.070 52.037 -1.027 0.000 0.743 274 A CB 1.834 20.522 19.000 -0.520 0.000 1.258 274 A HN 1.474 nan 8.150 nan 0.000 0.429 275 A N 1.086 123.507 122.820 -0.666 0.000 2.355 275 A HA 0.793 5.113 4.320 0.000 0.000 0.317 275 A C -0.322 177.314 177.584 0.087 0.000 1.094 275 A CA -0.156 51.812 52.037 -0.114 0.000 0.764 275 A CB 1.139 20.160 19.000 0.035 0.000 1.230 275 A HN 2.246 nan 8.150 nan 0.000 0.448 276 V N -0.334 119.643 119.914 0.106 0.000 2.962 276 V HA 0.622 4.742 4.120 0.000 0.000 0.313 276 V C -0.343 175.847 176.094 0.159 0.000 1.099 276 V CA -1.242 61.151 62.300 0.156 0.000 0.971 276 V CB 1.521 33.445 31.823 0.168 0.000 1.028 276 V HN 0.859 nan 8.190 nan 0.000 0.430 277 K N 1.967 122.461 120.400 0.157 0.000 2.380 277 K HA 0.575 4.895 4.320 0.000 0.000 0.267 277 K C 0.437 177.127 176.600 0.150 0.000 0.990 277 K CA 0.368 56.735 56.287 0.133 0.000 0.946 277 K CB 1.010 33.579 32.500 0.114 0.000 0.937 277 K HN 1.106 nan 8.250 nan 0.000 0.491 278 A N 3.935 126.795 122.820 0.066 0.000 2.407 278 A HA 0.257 4.577 4.320 0.000 0.000 0.248 278 A C -2.084 175.482 177.584 -0.030 0.000 1.082 278 A CA -1.252 50.762 52.037 -0.038 0.000 0.785 278 A CB -0.255 18.713 19.000 -0.053 0.000 1.020 278 A HN 0.444 nan 8.150 nan 0.000 0.489 279 P HA 0.395 nan 4.420 nan 0.000 0.271 279 P C 0.642 177.943 177.300 0.002 0.000 1.218 279 P CA 1.427 64.496 63.100 -0.051 0.000 0.780 279 P CB 0.593 32.165 31.700 -0.213 0.000 0.901 280 G N 1.735 110.591 108.800 0.094 0.000 2.796 280 G HA2 -0.031 3.929 3.960 0.000 0.000 0.226 280 G HA3 -0.031 3.929 3.960 0.000 0.000 0.226 280 G C -0.873 174.172 174.900 0.240 0.000 1.381 280 G CA -0.096 45.095 45.100 0.152 0.000 0.867 280 G HN 0.720 nan 8.290 nan 0.000 0.552 281 F N -1.774 118.188 119.950 0.020 0.000 2.650 281 F HA 0.848 5.375 4.527 0.000 0.000 0.320 281 F C 1.086 176.898 175.800 0.021 0.000 1.091 281 F CA 0.166 58.178 58.000 0.020 0.000 0.962 281 F CB 1.014 40.031 39.000 0.027 0.000 1.363 281 F HN 2.454 nan 8.300 nan 0.000 0.482 282 G N 1.519 110.287 108.800 -0.053 0.000 2.611 282 G HA2 -0.335 3.625 3.960 0.000 0.000 0.301 282 G HA3 -0.335 3.625 3.960 0.000 0.000 0.301 282 G C 0.448 175.259 174.900 -0.148 0.000 1.233 282 G CA 0.777 45.793 45.100 -0.140 0.000 0.993 282 G HN 0.848 nan 8.290 nan 0.000 0.553 283 D N 1.147 121.444 120.400 -0.172 0.000 2.078 283 D HA -0.105 4.535 4.640 0.000 0.000 0.193 283 D C 2.520 178.747 176.300 -0.123 0.000 0.990 283 D CA 1.908 55.837 54.000 -0.118 0.000 0.827 283 D CB -0.378 40.362 40.800 -0.101 0.000 0.975 283 D HN 0.708 nan 8.370 nan 0.000 0.451 284 R N 1.244 121.644 120.500 -0.166 0.000 2.249 284 R HA -0.075 4.265 4.340 0.000 0.000 0.230 284 R C 2.091 178.323 176.300 -0.114 0.000 1.121 284 R CA 1.024 57.041 56.100 -0.138 0.000 0.997 284 R CB -0.478 29.728 30.300 -0.155 0.000 0.867 284 R HN 0.112 nan 8.270 nan 0.000 0.465 285 R N 1.627 122.060 120.500 -0.111 0.000 2.073 285 R HA -0.113 4.227 4.340 0.000 0.000 0.234 285 R C 1.446 177.703 176.300 -0.072 0.000 1.134 285 R CA 1.873 57.929 56.100 -0.073 0.000 0.952 285 R CB -0.055 30.224 30.300 -0.033 0.000 0.850 285 R HN 0.311 nan 8.270 nan 0.000 0.433 286 K N 0.204 120.567 120.400 -0.063 0.000 2.002 286 K HA -0.091 4.229 4.320 0.000 0.000 0.209 286 K C 2.188 178.752 176.600 -0.060 0.000 1.048 286 K CA 1.558 57.812 56.287 -0.054 0.000 0.930 286 K CB -0.275 32.199 32.500 -0.043 0.000 0.714 286 K HN 0.230 nan 8.250 nan 0.000 0.438 287 A N 1.254 124.035 122.820 -0.064 0.000 1.948 287 A HA -0.201 4.119 4.320 0.000 0.000 0.220 287 A C 2.136 179.678 177.584 -0.071 0.000 1.177 287 A CA 1.757 53.757 52.037 -0.062 0.000 0.636 287 A CB -0.516 18.446 19.000 -0.063 0.000 0.815 287 A HN 0.227 nan 8.150 nan 0.000 0.449 288 M N -1.253 118.294 119.600 -0.088 0.000 2.236 288 M HA 0.044 4.524 4.480 0.000 0.000 0.266 288 M C 2.181 178.400 176.300 -0.136 0.000 1.070 288 M CA 0.919 56.153 55.300 -0.111 0.000 1.137 288 M CB -0.303 32.221 32.600 -0.127 0.000 1.378 288 M HN 0.414 nan 8.290 nan 0.000 0.426 289 L N 0.237 121.384 121.223 -0.126 0.000 2.079 289 L HA -0.277 4.063 4.340 0.000 0.000 0.210 289 L C 2.629 179.448 176.870 -0.086 0.000 1.081 289 L CA 1.475 56.242 54.840 -0.121 0.000 0.752 289 L CB -0.310 41.697 42.059 -0.087 0.000 0.896 289 L HN 0.331 nan 8.230 nan 0.000 0.433 290 Q N 0.131 119.891 119.800 -0.066 0.000 2.124 290 Q HA -0.224 4.116 4.340 0.000 0.000 0.202 290 Q C 1.670 177.645 176.000 -0.043 0.000 0.977 290 Q CA 1.868 57.644 55.803 -0.046 0.000 0.850 290 Q CB -0.172 28.542 28.738 -0.039 0.000 0.901 290 Q HN 0.420 nan 8.270 nan 0.000 0.429 291 D N -0.188 120.181 120.400 -0.053 0.000 2.116 291 D HA -0.177 4.463 4.640 0.000 0.000 0.193 291 D C 1.860 178.139 176.300 -0.034 0.000 0.998 291 D CA 1.505 55.480 54.000 -0.042 0.000 0.836 291 D CB -0.227 40.544 40.800 -0.049 0.000 0.951 291 D HN 0.386 nan 8.370 nan 0.000 0.449 292 I N 1.071 121.608 120.570 -0.055 0.000 2.179 292 I HA -0.251 3.919 4.170 0.000 0.000 0.242 292 I C 2.539 178.651 176.117 -0.009 0.000 1.088 292 I CA 0.975 62.255 61.300 -0.033 0.000 1.357 292 I CB -0.332 37.622 38.000 -0.076 0.000 1.051 292 I HN -0.077 nan 8.210 nan 0.000 0.409 293 A N 0.803 123.613 122.820 -0.018 0.000 1.859 293 A HA -0.274 4.046 4.320 0.000 0.000 0.217 293 A C 2.406 179.991 177.584 0.002 0.000 1.198 293 A CA 2.860 54.895 52.037 -0.004 0.000 0.629 293 A CB -1.366 17.627 19.000 -0.011 0.000 0.830 293 A HN 0.398 nan 8.150 nan 0.000 0.446 294 T N 0.240 114.791 114.554 -0.004 0.000 2.737 294 T HA -0.155 4.195 4.350 0.000 0.000 0.269 294 T C 1.788 176.491 174.700 0.006 0.000 1.040 294 T CA 1.385 63.485 62.100 -0.001 0.000 1.142 294 T CB -0.305 68.558 68.868 -0.007 0.000 0.861 294 T HN 0.302 nan 8.240 nan 0.000 0.456 295 L N 1.541 122.769 121.223 0.009 0.000 2.093 295 L HA -0.041 4.299 4.340 0.000 0.000 0.208 295 L C 2.363 179.246 176.870 0.022 0.000 1.085 295 L CA 2.157 57.007 54.840 0.016 0.000 0.755 295 L CB -1.124 40.949 42.059 0.023 0.000 0.904 295 L HN 0.462 nan 8.230 nan 0.000 0.435 296 T N -4.591 109.979 114.554 0.026 0.000 3.069 296 T HA 0.257 4.607 4.350 0.000 0.000 0.252 296 T C 1.273 175.996 174.700 0.038 0.000 1.053 296 T CA 0.402 62.523 62.100 0.035 0.000 0.964 296 T CB 0.227 69.122 68.868 0.046 0.000 1.005 296 T HN 0.465 nan 8.240 nan 0.000 0.532 297 G N 0.758 109.576 108.800 0.029 0.000 2.160 297 G HA2 -0.054 3.906 3.960 0.000 0.000 0.251 297 G HA3 -0.054 3.906 3.960 0.000 0.000 0.251 297 G C 0.444 175.365 174.900 0.035 0.000 1.008 297 G CA -0.100 45.018 45.100 0.030 0.000 0.724 297 G HN 1.007 nan 8.290 nan 0.000 0.514 298 G N -1.569 107.251 108.800 0.034 0.000 2.532 298 G HA2 0.709 4.669 3.960 0.000 0.000 0.291 298 G HA3 0.709 4.669 3.960 0.000 0.000 0.291 298 G C -0.287 174.621 174.900 0.013 0.000 1.349 298 G CA 0.348 45.467 45.100 0.031 0.000 1.038 298 G HN 0.726 nan 8.290 nan 0.000 0.518 299 T N -0.112 114.445 114.554 0.006 0.000 2.879 299 T HA 0.376 4.726 4.350 0.000 0.000 0.290 299 T C -0.202 174.494 174.700 -0.006 0.000 0.993 299 T CA -0.323 61.776 62.100 -0.002 0.000 0.975 299 T CB 1.738 70.603 68.868 -0.005 0.000 0.981 299 T HN 0.350 nan 8.240 nan 0.000 0.439 300 V N 4.619 124.527 119.914 -0.010 0.000 2.529 300 V HA 0.164 4.284 4.120 0.000 0.000 0.292 300 V C 0.421 176.508 176.094 -0.011 0.000 1.028 300 V CA 0.019 62.311 62.300 -0.013 0.000 1.074 300 V CB -0.047 31.765 31.823 -0.019 0.000 0.958 300 V HN 0.758 nan 8.190 nan 0.000 0.481 301 I N 5.677 126.241 120.570 -0.010 0.000 2.276 301 I HA 0.236 4.406 4.170 0.000 0.000 0.290 301 I C 0.482 176.595 176.117 -0.007 0.000 1.109 301 I CA 0.168 61.463 61.300 -0.009 0.000 1.229 301 I CB 0.450 38.444 38.000 -0.009 0.000 1.452 301 I HN 0.701 nan 8.210 nan 0.000 0.497 302 S N 2.809 118.504 115.700 -0.008 0.000 2.509 302 S HA 0.380 4.850 4.470 0.000 0.000 0.297 302 S C 0.590 175.187 174.600 -0.005 0.000 1.118 302 S CA -0.848 57.348 58.200 -0.007 0.000 1.074 302 S CB 2.113 65.307 63.200 -0.009 0.000 1.038 302 S HN 0.544 nan 8.310 nan 0.000 0.498 303 E N 1.165 121.364 120.200 -0.002 0.000 2.347 303 E HA -0.112 4.238 4.350 0.000 0.000 0.196 303 E C 1.227 177.826 176.600 -0.002 0.000 1.008 303 E CA 0.724 57.123 56.400 -0.001 0.000 0.852 303 E CB -0.016 29.685 29.700 0.002 0.000 0.783 303 E HN 0.794 nan 8.360 nan 0.000 0.505 304 E N 0.537 120.735 120.200 -0.003 0.000 2.150 304 E HA -0.135 4.215 4.350 0.000 0.000 0.193 304 E C 1.573 178.170 176.600 -0.005 0.000 0.985 304 E CA 0.794 57.192 56.400 -0.004 0.000 0.814 304 E CB -0.008 29.688 29.700 -0.005 0.000 0.752 304 E HN 0.330 nan 8.360 nan 0.000 0.466 305 I N 0.137 120.704 120.570 -0.006 0.000 3.812 305 I HA 0.145 4.315 4.170 0.000 0.000 0.320 305 I C 0.953 177.067 176.117 -0.005 0.000 1.276 305 I CA 0.103 61.399 61.300 -0.006 0.000 1.164 305 I CB -0.082 37.914 38.000 -0.007 0.000 1.009 305 I HN 0.115 nan 8.210 nan 0.000 0.431 306 G N 2.023 110.820 108.800 -0.004 0.000 2.246 306 G HA2 -0.275 3.685 3.960 0.000 0.000 0.273 306 G HA3 -0.275 3.685 3.960 0.000 0.000 0.273 306 G C 0.041 174.938 174.900 -0.005 0.000 1.055 306 G CA -0.089 45.009 45.100 -0.004 0.000 0.851 306 G HN 0.347 nan 8.290 nan 0.000 0.500 307 M N -0.020 119.577 119.600 -0.005 0.000 2.300 307 M HA 0.506 4.986 4.480 0.000 0.000 0.348 307 M C 0.299 176.596 176.300 -0.006 0.000 1.151 307 M CA -0.338 54.958 55.300 -0.007 0.000 1.046 307 M CB 1.489 34.084 32.600 -0.008 0.000 1.647 307 M HN 0.237 nan 8.290 nan 0.000 0.451 308 E N 1.826 122.022 120.200 -0.007 0.000 2.212 308 E HA 0.325 4.675 4.350 0.000 0.000 0.270 308 E C 0.252 176.847 176.600 -0.009 0.000 0.956 308 E CA -0.566 55.830 56.400 -0.006 0.000 0.825 308 E CB 2.048 31.745 29.700 -0.006 0.000 1.167 308 E HN 0.668 nan 8.360 nan 0.000 0.400 309 L N 1.435 122.654 121.223 -0.007 0.000 2.291 309 L HA -0.129 4.211 4.340 0.000 0.000 0.214 309 L C 1.592 178.454 176.870 -0.014 0.000 1.120 309 L CA 0.911 55.745 54.840 -0.010 0.000 0.799 309 L CB -0.181 41.876 42.059 -0.004 0.000 0.925 309 L HN 0.544 nan 8.230 nan 0.000 0.446 310 E N 0.536 120.729 120.200 -0.011 0.000 2.106 310 E HA -0.130 4.220 4.350 0.000 0.000 0.192 310 E C 0.920 177.509 176.600 -0.018 0.000 0.984 310 E CA 0.986 57.378 56.400 -0.013 0.000 0.806 310 E CB 0.033 29.727 29.700 -0.009 0.000 0.750 310 E HN 0.263 nan 8.360 nan 0.000 0.458 311 K N 0.464 120.854 120.400 -0.017 0.000 3.141 311 K HA 0.439 4.759 4.320 0.000 0.000 0.248 311 K C -0.861 175.724 176.600 -0.024 0.000 1.282 311 K CA -0.250 56.026 56.287 -0.019 0.000 1.251 311 K CB 0.886 33.377 32.500 -0.015 0.000 1.533 311 K HN -0.022 nan 8.250 nan 0.000 0.409 312 A N 0.960 123.761 122.820 -0.032 0.000 2.374 312 A HA 0.493 4.813 4.320 0.000 0.000 0.305 312 A C 0.020 177.568 177.584 -0.060 0.000 1.053 312 A CA -0.663 51.349 52.037 -0.041 0.000 0.726 312 A CB 0.951 19.928 19.000 -0.038 0.000 1.229 312 A HN 0.274 nan 8.150 nan 0.000 0.431 313 T N -0.262 114.250 114.554 -0.070 0.000 2.919 313 T HA 0.545 4.896 4.350 0.000 0.000 0.282 313 T C 1.147 175.757 174.700 -0.151 0.000 1.020 313 T CA -0.728 61.313 62.100 -0.097 0.000 0.994 313 T CB 0.421 69.244 68.868 -0.074 0.000 1.180 313 T HN 0.350 nan 8.240 nan 0.000 0.566 314 L N -0.032 121.064 121.223 -0.212 0.000 2.261 314 L HA -0.054 4.286 4.340 0.000 0.000 0.216 314 L C 2.859 179.590 176.870 -0.231 0.000 1.114 314 L CA 1.545 56.162 54.840 -0.370 0.000 0.777 314 L CB -0.558 41.250 42.059 -0.418 0.000 0.910 314 L HN 0.859 nan 8.230 nan 0.000 0.440 315 E N 0.189 120.321 120.200 -0.113 0.000 2.152 315 E HA -0.208 4.142 4.350 0.000 0.000 0.192 315 E C 1.482 178.064 176.600 -0.030 0.000 0.983 315 E CA 0.985 57.359 56.400 -0.045 0.000 0.818 315 E CB 0.204 29.886 29.700 -0.029 0.000 0.758 315 E HN 0.451 nan 8.360 nan 0.000 0.467 316 D N 0.171 120.542 120.400 -0.049 0.000 2.183 316 D HA -0.083 4.557 4.640 0.000 0.000 0.203 316 D C 0.241 176.532 176.300 -0.014 0.000 0.969 316 D CA 0.442 54.424 54.000 -0.030 0.000 0.842 316 D CB 0.055 40.833 40.800 -0.038 0.000 0.957 316 D HN 0.136 nan 8.370 nan 0.000 0.484 317 L N 0.916 122.119 121.223 -0.034 0.000 2.426 317 L HA 0.265 4.605 4.340 0.000 0.000 0.271 317 L C 1.423 178.361 176.870 0.113 0.000 1.169 317 L CA 0.104 54.957 54.840 0.021 0.000 0.836 317 L CB 0.731 42.760 42.059 -0.051 0.000 1.112 317 L HN -0.158 nan 8.230 nan 0.000 0.465 318 G N 1.595 110.469 108.800 0.124 0.000 2.563 318 G HA2 0.526 4.486 3.960 0.000 0.000 0.283 318 G HA3 0.526 4.486 3.960 0.000 0.000 0.283 318 G C -0.942 174.062 174.900 0.174 0.000 1.309 318 G CA -0.218 44.955 45.100 0.122 0.000 1.022 318 G HN 0.555 nan 8.290 nan 0.000 0.501 319 Q N -2.145 117.712 119.800 0.095 0.000 2.472 319 Q HA 0.576 4.916 4.340 0.000 0.000 0.281 319 Q C -1.358 174.639 176.000 -0.005 0.000 0.997 319 Q CA -0.743 55.075 55.803 0.024 0.000 0.828 319 Q CB 2.320 31.052 28.738 -0.011 0.000 1.443 319 Q HN 1.040 nan 8.270 nan 0.000 0.390 320 A N 1.462 124.257 122.820 -0.043 0.000 2.612 320 A HA 0.398 4.718 4.320 0.000 0.000 0.293 320 A C -0.553 176.999 177.584 -0.054 0.000 1.075 320 A CA -0.595 51.424 52.037 -0.030 0.000 0.680 320 A CB 1.488 20.486 19.000 -0.004 0.000 1.279 320 A HN 0.759 nan 8.150 nan 0.000 0.411 321 K N -0.415 119.961 120.400 -0.040 0.000 2.097 321 K HA -0.048 4.272 4.320 0.000 0.000 0.206 321 K C 0.629 177.204 176.600 -0.043 0.000 1.049 321 K CA 1.315 57.575 56.287 -0.045 0.000 0.933 321 K CB 0.103 32.584 32.500 -0.030 0.000 0.717 321 K HN 0.526 nan 8.250 nan 0.000 0.442 322 R N -0.054 120.427 120.500 -0.030 0.000 2.561 322 R HA 0.177 4.517 4.340 0.000 0.000 0.266 322 R C -1.841 174.450 176.300 -0.016 0.000 1.091 322 R CA -0.466 55.619 56.100 -0.024 0.000 0.927 322 R CB 2.030 32.319 30.300 -0.018 0.000 1.240 322 R HN -0.045 nan 8.270 nan 0.000 0.449 323 V N 0.820 120.725 119.914 -0.016 0.000 2.656 323 V HA 0.827 4.947 4.120 0.000 0.000 0.307 323 V C -1.191 174.894 176.094 -0.014 0.000 1.051 323 V CA -0.619 61.673 62.300 -0.013 0.000 0.893 323 V CB 2.111 33.930 31.823 -0.005 0.000 0.999 323 V HN 0.409 nan 8.190 nan 0.000 0.426 324 V N 6.294 126.195 119.914 -0.022 0.000 2.540 324 V HA 0.617 4.737 4.120 0.000 0.000 0.302 324 V C -0.157 175.923 176.094 -0.024 0.000 1.035 324 V CA -0.408 61.886 62.300 -0.011 0.000 0.873 324 V CB 1.616 33.433 31.823 -0.009 0.000 0.992 324 V HN 1.063 nan 8.190 nan 0.000 0.428 325 I N 1.519 122.103 120.570 0.023 0.000 2.478 325 I HA 0.653 4.823 4.170 0.000 0.000 0.287 325 I C -0.608 175.591 176.117 0.137 0.000 1.042 325 I CA -0.452 60.870 61.300 0.036 0.000 1.067 325 I CB 1.993 40.023 38.000 0.050 0.000 1.233 325 I HN 0.447 nan 8.210 nan 0.000 0.431 326 N N 5.219 123.937 118.700 0.031 0.000 2.431 326 N HA 0.180 4.921 4.740 0.000 0.000 0.289 326 N C 0.764 176.120 175.510 -0.256 0.000 1.277 326 N CA -0.512 52.558 53.050 0.033 0.000 0.972 326 N CB 0.773 39.240 38.487 -0.033 0.000 1.143 326 N HN 0.668 nan 8.380 nan 0.000 0.578 327 K N 0.056 120.277 120.400 -0.297 0.000 2.160 327 K HA -0.191 4.129 4.320 0.000 0.000 0.206 327 K C -0.460 175.832 176.600 -0.514 0.000 1.047 327 K CA 2.025 57.929 56.287 -0.638 0.000 0.930 327 K CB -0.020 32.361 32.500 -0.199 0.000 0.720 327 K HN 0.623 nan 8.250 nan 0.000 0.450 328 D N -1.675 118.556 120.400 -0.282 0.000 2.881 328 D HA 0.116 4.756 4.640 0.000 0.000 0.325 328 D C -0.903 175.312 176.300 -0.141 0.000 1.621 328 D CA -0.469 53.418 54.000 -0.189 0.000 0.785 328 D CB 0.810 41.539 40.800 -0.118 0.000 1.233 328 D HN -0.177 nan 8.370 nan 0.000 0.447 329 T N -0.318 114.134 114.554 -0.170 0.000 2.993 329 T HA 0.593 4.943 4.350 0.000 0.000 0.312 329 T C -1.215 173.325 174.700 -0.266 0.000 1.115 329 T CA -0.398 61.588 62.100 -0.190 0.000 1.027 329 T CB 2.158 70.951 68.868 -0.126 0.000 1.116 329 T HN -0.082 nan 8.240 nan 0.000 0.464 330 T N 2.255 116.512 114.554 -0.495 0.000 2.812 330 T HA 0.645 4.995 4.350 0.000 0.000 0.282 330 T C -0.546 173.839 174.700 -0.524 0.000 0.990 330 T CA -0.493 61.259 62.100 -0.580 0.000 0.960 330 T CB 1.473 69.738 68.868 -1.005 0.000 0.948 330 T HN 0.630 nan 8.240 nan 0.000 0.438 331 T N 3.676 118.081 114.554 -0.248 0.000 2.841 331 T HA 0.672 5.022 4.350 0.000 0.000 0.285 331 T C -0.693 173.974 174.700 -0.054 0.000 0.991 331 T CA -0.696 61.324 62.100 -0.133 0.000 0.966 331 T CB 0.221 69.040 68.868 -0.081 0.000 0.962 331 T HN 0.473 nan 8.240 nan 0.000 0.438 332 I N 6.002 126.574 120.570 0.003 0.000 2.307 332 I HA 0.426 4.596 4.170 0.000 0.000 0.289 332 I C -0.358 175.773 176.117 0.024 0.000 1.021 332 I CA -0.762 60.559 61.300 0.035 0.000 1.224 332 I CB 1.243 39.300 38.000 0.096 0.000 1.376 332 I HN 0.585 nan 8.210 nan 0.000 0.470 333 I N 6.154 126.729 120.570 0.009 0.000 2.328 333 I HA 0.250 4.420 4.170 0.000 0.000 0.287 333 I C -0.482 175.636 176.117 0.001 0.000 1.012 333 I CA -0.275 61.027 61.300 0.004 0.000 1.195 333 I CB 0.945 38.942 38.000 -0.004 0.000 1.350 333 I HN 0.565 nan 8.210 nan 0.000 0.464 334 D N 4.953 125.355 120.400 0.004 0.000 3.241 334 D HA -0.107 4.533 4.640 0.000 0.000 0.248 334 D C 0.192 176.493 176.300 0.001 0.000 1.093 334 D CA 0.863 54.864 54.000 0.001 0.000 0.940 334 D CB -0.296 40.500 40.800 -0.006 0.000 0.980 334 D HN 0.788 nan 8.370 nan 0.000 0.421 335 G N 0.421 109.227 108.800 0.010 0.000 2.467 335 G HA2 0.368 4.328 3.960 0.000 0.000 0.257 335 G HA3 0.368 4.328 3.960 0.000 0.000 0.257 335 G C 1.453 176.358 174.900 0.009 0.000 1.227 335 G CA -0.292 44.815 45.100 0.013 0.000 0.835 335 G HN 0.335 nan 8.290 nan 0.000 0.556 336 V N 2.500 122.419 119.914 0.010 0.000 2.759 336 V HA -0.020 4.100 4.120 0.000 0.000 0.256 336 V C 2.276 178.378 176.094 0.014 0.000 1.080 336 V CA 1.204 63.510 62.300 0.010 0.000 1.101 336 V CB -1.152 30.680 31.823 0.016 0.000 0.698 336 V HN 0.876 nan 8.190 nan 0.000 0.477 337 G N 0.923 109.733 108.800 0.017 0.000 2.257 337 G HA2 -0.045 3.915 3.960 0.000 0.000 0.235 337 G HA3 -0.045 3.915 3.960 0.000 0.000 0.235 337 G C -0.092 174.814 174.900 0.010 0.000 1.225 337 G CA -0.121 44.988 45.100 0.014 0.000 0.878 337 G HN 0.542 nan 8.290 nan 0.000 0.505 338 E N 1.671 121.876 120.200 0.009 0.000 2.313 338 E HA 0.059 4.409 4.350 0.000 0.000 0.276 338 E C 0.980 177.582 176.600 0.005 0.000 1.031 338 E CA -0.275 56.129 56.400 0.007 0.000 0.857 338 E CB 1.407 31.111 29.700 0.006 0.000 1.040 338 E HN 0.679 nan 8.360 nan 0.000 0.408 339 E N 2.000 122.202 120.200 0.004 0.000 2.187 339 E HA -0.316 4.034 4.350 0.000 0.000 0.199 339 E C 1.836 178.437 176.600 0.002 0.000 1.004 339 E CA 1.292 57.694 56.400 0.003 0.000 0.813 339 E CB -0.108 29.594 29.700 0.002 0.000 0.736 339 E HN 0.617 nan 8.360 nan 0.000 0.468 340 A N 1.733 124.554 122.820 0.002 0.000 1.859 340 A HA -0.214 4.106 4.320 0.000 0.000 0.217 340 A C 2.456 180.040 177.584 -0.000 0.000 1.198 340 A CA 2.205 54.242 52.037 0.001 0.000 0.629 340 A CB -0.871 18.129 19.000 0.001 0.000 0.830 340 A HN 0.328 nan 8.150 nan 0.000 0.446 341 A N -0.505 122.316 122.820 0.001 0.000 1.873 341 A HA -0.042 4.278 4.320 0.000 0.000 0.215 341 A C 2.178 179.761 177.584 -0.001 0.000 1.186 341 A CA 1.528 53.565 52.037 -0.000 0.000 0.616 341 A CB -0.634 18.366 19.000 0.001 0.000 0.823 341 A HN 0.506 nan 8.150 nan 0.000 0.442 342 I N -0.910 119.660 120.570 0.000 0.000 2.142 342 I HA -0.278 3.892 4.170 0.000 0.000 0.240 342 I C 2.765 178.880 176.117 -0.002 0.000 1.078 342 I CA 1.804 63.104 61.300 -0.000 0.000 1.343 342 I CB -0.292 37.710 38.000 0.003 0.000 1.046 342 I HN 0.327 nan 8.210 nan 0.000 0.405 343 Q N 1.208 121.007 119.800 -0.001 0.000 2.170 343 Q HA -0.128 4.212 4.340 0.000 0.000 0.203 343 Q C 2.011 178.008 176.000 -0.004 0.000 0.976 343 Q CA 1.944 57.746 55.803 -0.002 0.000 0.858 343 Q CB -0.749 27.988 28.738 -0.002 0.000 0.907 343 Q HN 0.511 nan 8.270 nan 0.000 0.433 344 G N -0.261 108.536 108.800 -0.004 0.000 2.394 344 G HA2 -0.276 3.684 3.960 0.000 0.000 0.215 344 G HA3 -0.276 3.684 3.960 0.000 0.000 0.215 344 G C 1.589 176.484 174.900 -0.007 0.000 1.165 344 G CA 0.711 45.808 45.100 -0.005 0.000 0.784 344 G HN 0.362 nan 8.290 nan 0.000 0.535 345 R N 0.242 120.737 120.500 -0.008 0.000 2.081 345 R HA -0.028 4.312 4.340 0.000 0.000 0.235 345 R C 2.591 178.884 176.300 -0.012 0.000 1.131 345 R CA 1.499 57.593 56.100 -0.011 0.000 0.960 345 R CB -0.857 29.437 30.300 -0.011 0.000 0.856 345 R HN 0.188 nan 8.270 nan 0.000 0.436 346 V N 0.874 120.782 119.914 -0.010 0.000 2.252 346 V HA -0.300 3.820 4.120 0.000 0.000 0.249 346 V C 2.374 178.461 176.094 -0.011 0.000 1.056 346 V CA 2.148 64.442 62.300 -0.010 0.000 1.022 346 V CB -1.050 30.768 31.823 -0.007 0.000 0.641 346 V HN 0.597 nan 8.190 nan 0.000 0.445 347 A N -1.195 121.619 122.820 -0.009 0.000 1.940 347 A HA -0.309 4.011 4.320 0.000 0.000 0.219 347 A C 2.167 179.745 177.584 -0.011 0.000 1.176 347 A CA 2.126 54.157 52.037 -0.009 0.000 0.631 347 A CB -0.480 18.515 19.000 -0.007 0.000 0.814 347 A HN 0.665 nan 8.150 nan 0.000 0.446 348 Q N -0.507 119.286 119.800 -0.012 0.000 1.993 348 Q HA -0.132 4.208 4.340 0.000 0.000 0.202 348 Q C 2.107 178.097 176.000 -0.017 0.000 0.984 348 Q CA 1.733 57.528 55.803 -0.014 0.000 0.837 348 Q CB -0.357 28.372 28.738 -0.015 0.000 0.902 348 Q HN 0.753 nan 8.270 nan 0.000 0.423 349 I N 0.266 120.825 120.570 -0.019 0.000 2.208 349 I HA -0.306 3.864 4.170 0.000 0.000 0.245 349 I C 2.548 178.651 176.117 -0.022 0.000 1.097 349 I CA 1.150 62.435 61.300 -0.024 0.000 1.363 349 I CB -0.320 37.664 38.000 -0.026 0.000 1.051 349 I HN 0.149 nan 8.210 nan 0.000 0.413 350 R N 0.582 121.072 120.500 -0.018 0.000 2.127 350 R HA -0.205 4.135 4.340 0.000 0.000 0.238 350 R C 2.322 178.614 176.300 -0.014 0.000 1.134 350 R CA 1.440 57.531 56.100 -0.015 0.000 0.975 350 R CB -0.069 30.224 30.300 -0.012 0.000 0.865 350 R HN 0.451 nan 8.270 nan 0.000 0.447 351 Q N -0.654 119.138 119.800 -0.014 0.000 2.137 351 Q HA -0.113 4.227 4.340 0.000 0.000 0.198 351 Q C 2.001 177.992 176.000 -0.014 0.000 0.960 351 Q CA 0.917 56.713 55.803 -0.013 0.000 0.847 351 Q CB 0.263 28.994 28.738 -0.011 0.000 0.915 351 Q HN 0.480 nan 8.270 nan 0.000 0.448 352 Q N 0.409 120.198 119.800 -0.018 0.000 2.135 352 Q HA -0.180 4.160 4.340 0.000 0.000 0.204 352 Q C 2.099 178.086 176.000 -0.021 0.000 0.981 352 Q CA 1.110 56.901 55.803 -0.021 0.000 0.856 352 Q CB -0.302 28.420 28.738 -0.027 0.000 0.902 352 Q HN 0.469 nan 8.270 nan 0.000 0.425 353 I N 1.380 121.937 120.570 -0.022 0.000 2.264 353 I HA -0.252 3.918 4.170 0.000 0.000 0.248 353 I C 2.132 178.240 176.117 -0.015 0.000 1.111 353 I CA 1.064 62.352 61.300 -0.022 0.000 1.382 353 I CB -0.323 37.664 38.000 -0.022 0.000 1.060 353 I HN 0.165 nan 8.210 nan 0.000 0.418 354 E N 1.026 121.218 120.200 -0.012 0.000 2.152 354 E HA -0.180 4.170 4.350 0.000 0.000 0.192 354 E C 1.732 178.327 176.600 -0.007 0.000 0.983 354 E CA 1.089 57.484 56.400 -0.009 0.000 0.818 354 E CB -0.244 29.451 29.700 -0.008 0.000 0.758 354 E HN 0.640 nan 8.360 nan 0.000 0.467 355 E N 0.967 121.161 120.200 -0.009 0.000 2.442 355 E HA 0.195 4.545 4.350 0.000 0.000 0.195 355 E C 0.463 177.059 176.600 -0.006 0.000 1.030 355 E CA 0.063 56.459 56.400 -0.007 0.000 0.869 355 E CB 0.287 29.982 29.700 -0.008 0.000 0.857 355 E HN 0.063 nan 8.360 nan 0.000 0.505 356 A N 1.853 124.668 122.820 -0.008 0.000 2.545 356 A HA 0.024 4.344 4.320 0.000 0.000 0.253 356 A C 1.172 178.757 177.584 0.002 0.000 1.074 356 A CA 0.485 52.518 52.037 -0.006 0.000 0.760 356 A CB -0.153 18.839 19.000 -0.013 0.000 1.005 356 A HN 0.245 nan 8.150 nan 0.000 0.506 357 T N -0.584 113.975 114.554 0.008 0.000 3.105 357 T HA 0.407 4.757 4.350 0.000 0.000 0.253 357 T C 0.371 175.084 174.700 0.022 0.000 1.047 357 T CA 0.374 62.482 62.100 0.012 0.000 0.944 357 T CB -0.307 68.567 68.868 0.011 0.000 1.016 357 T HN 1.176 nan 8.240 nan 0.000 0.544 358 S N -0.252 115.465 115.700 0.029 0.000 2.546 358 S HA 0.338 4.808 4.470 0.000 0.000 0.272 358 S C -0.129 174.504 174.600 0.056 0.000 1.140 358 S CA -0.632 57.599 58.200 0.051 0.000 0.920 358 S CB 1.622 64.867 63.200 0.075 0.000 1.083 358 S HN 0.017 nan 8.310 nan 0.000 0.476 359 D N 2.267 122.706 120.400 0.065 0.000 2.123 359 D HA -0.129 4.511 4.640 0.000 0.000 0.196 359 D C 1.342 177.687 176.300 0.074 0.000 0.992 359 D CA 1.709 55.744 54.000 0.059 0.000 0.833 359 D CB -0.302 40.537 40.800 0.065 0.000 0.954 359 D HN 0.730 nan 8.370 nan 0.000 0.455 360 Y N 2.029 122.331 120.300 0.003 0.000 2.097 360 Y HA -0.245 4.305 4.550 0.000 0.000 0.282 360 Y C 1.643 177.542 175.900 -0.003 0.000 1.152 360 Y CA 2.063 60.165 58.100 0.004 0.000 1.136 360 Y CB -0.438 38.027 38.460 0.008 0.000 0.975 360 Y HN -0.081 nan 8.280 nan 0.000 0.498 361 D N -0.709 119.662 120.400 -0.047 0.000 2.117 361 D HA -0.175 4.465 4.640 0.000 0.000 0.197 361 D C 2.255 178.474 176.300 -0.135 0.000 0.987 361 D CA 1.604 55.532 54.000 -0.120 0.000 0.829 361 D CB -0.243 40.547 40.800 -0.016 0.000 0.961 361 D HN 0.250 nan 8.370 nan 0.000 0.460 362 R N 0.763 121.218 120.500 -0.076 0.000 2.097 362 R HA -0.181 4.159 4.340 0.000 0.000 0.236 362 R C 1.968 178.215 176.300 -0.088 0.000 1.135 362 R CA 1.529 57.592 56.100 -0.061 0.000 0.934 362 R CB -0.030 30.254 30.300 -0.027 0.000 0.846 362 R HN 0.192 nan 8.270 nan 0.000 0.431 363 E N 0.605 120.741 120.200 -0.107 0.000 2.085 363 E HA -0.209 4.141 4.350 0.000 0.000 0.194 363 E C 1.897 178.407 176.600 -0.150 0.000 0.994 363 E CA 0.951 57.287 56.400 -0.107 0.000 0.801 363 E CB -0.179 29.469 29.700 -0.087 0.000 0.743 363 E HN 0.232 nan 8.360 nan 0.000 0.453 364 K N 0.898 121.142 120.400 -0.261 0.000 2.103 364 K HA -0.058 4.262 4.320 0.000 0.000 0.207 364 K C 2.397 178.908 176.600 -0.149 0.000 1.048 364 K CA 0.699 56.833 56.287 -0.255 0.000 0.930 364 K CB -0.515 31.748 32.500 -0.394 0.000 0.716 364 K HN 0.201 nan 8.250 nan 0.000 0.444 365 L N 0.729 121.876 121.223 -0.127 0.000 2.044 365 L HA -0.165 4.175 4.340 0.000 0.000 0.205 365 L C 2.547 179.380 176.870 -0.061 0.000 1.075 365 L CA 1.114 55.904 54.840 -0.083 0.000 0.747 365 L CB -0.440 41.577 42.059 -0.070 0.000 0.903 365 L HN 0.186 nan 8.230 nan 0.000 0.435 366 Q N -0.014 119.752 119.800 -0.058 0.000 2.152 366 Q HA -0.262 4.078 4.340 0.000 0.000 0.206 366 Q C 2.075 178.055 176.000 -0.034 0.000 0.985 366 Q CA 1.663 57.442 55.803 -0.039 0.000 0.863 366 Q CB -0.157 28.560 28.738 -0.034 0.000 0.904 366 Q HN 0.534 nan 8.270 nan 0.000 0.422 367 E N 0.323 120.498 120.200 -0.043 0.000 2.077 367 E HA -0.171 4.179 4.350 0.000 0.000 0.193 367 E C 2.085 178.673 176.600 -0.022 0.000 0.989 367 E CA 0.741 57.124 56.400 -0.029 0.000 0.800 367 E CB 0.017 29.696 29.700 -0.034 0.000 0.746 367 E HN 0.277 nan 8.360 nan 0.000 0.452 368 R N 0.465 120.945 120.500 -0.034 0.000 2.073 368 R HA -0.135 4.205 4.340 0.000 0.000 0.234 368 R C 2.762 179.051 176.300 -0.019 0.000 1.134 368 R CA 1.674 57.757 56.100 -0.029 0.000 0.952 368 R CB -0.838 29.437 30.300 -0.042 0.000 0.850 368 R HN 0.227 nan 8.270 nan 0.000 0.433 369 V N -0.945 118.957 119.914 -0.021 0.000 2.295 369 V HA -0.153 3.967 4.120 0.000 0.000 0.246 369 V C 2.390 178.479 176.094 -0.007 0.000 1.049 369 V CA 1.883 64.175 62.300 -0.014 0.000 1.024 369 V CB -1.175 30.639 31.823 -0.016 0.000 0.648 369 V HN 0.265 nan 8.190 nan 0.000 0.447 370 A N 0.436 123.252 122.820 -0.007 0.000 1.908 370 A HA -0.237 4.083 4.320 0.000 0.000 0.218 370 A C 2.344 179.932 177.584 0.006 0.000 1.181 370 A CA 2.429 54.465 52.037 -0.001 0.000 0.627 370 A CB -0.655 18.344 19.000 -0.002 0.000 0.818 370 A HN 0.659 nan 8.150 nan 0.000 0.445 371 K N -1.316 119.090 120.400 0.010 0.000 2.062 371 K HA -0.016 4.304 4.320 0.000 0.000 0.205 371 K C 1.854 178.467 176.600 0.021 0.000 1.051 371 K CA 1.083 57.384 56.287 0.023 0.000 0.941 371 K CB -0.227 32.294 32.500 0.035 0.000 0.719 371 K HN 0.336 nan 8.250 nan 0.000 0.440 372 L N 0.509 121.738 121.223 0.011 0.000 2.072 372 L HA -0.014 4.326 4.340 0.000 0.000 0.205 372 L C 2.029 178.903 176.870 0.007 0.000 1.079 372 L CA 1.605 56.450 54.840 0.008 0.000 0.752 372 L CB -0.591 41.467 42.059 -0.001 0.000 0.906 372 L HN 0.089 nan 8.230 nan 0.000 0.436 373 A N -1.551 121.271 122.820 0.003 0.000 2.123 373 A HA 0.193 4.513 4.320 0.000 0.000 0.214 373 A C 2.178 179.765 177.584 0.004 0.000 1.152 373 A CA 0.932 52.971 52.037 0.002 0.000 0.728 373 A CB -0.831 18.168 19.000 -0.001 0.000 0.814 373 A HN 0.453 nan 8.150 nan 0.000 0.464 374 G N -0.906 107.898 108.800 0.007 0.000 2.437 374 G HA2 0.406 4.366 3.960 0.000 0.000 0.212 374 G HA3 0.406 4.366 3.960 0.000 0.000 0.212 374 G C 1.092 175.997 174.900 0.008 0.000 1.174 374 G CA 0.665 45.769 45.100 0.006 0.000 0.811 374 G HN 1.634 nan 8.290 nan 0.000 0.537 375 G N -1.644 107.162 108.800 0.011 0.000 2.615 375 G HA2 0.076 4.036 3.960 0.000 0.000 0.218 375 G HA3 0.076 4.036 3.960 0.000 0.000 0.218 375 G C -0.860 174.046 174.900 0.010 0.000 1.339 375 G CA -0.257 44.850 45.100 0.011 0.000 0.884 375 G HN 1.102 nan 8.290 nan 0.000 0.559 376 V N 0.354 120.273 119.914 0.008 0.000 2.668 376 V HA 0.706 4.826 4.120 0.000 0.000 0.304 376 V C 0.636 176.732 176.094 0.003 0.000 1.071 376 V CA -0.026 62.277 62.300 0.005 0.000 0.894 376 V CB 1.376 33.203 31.823 0.006 0.000 1.008 376 V HN 2.194 nan 8.190 nan 0.000 0.425 377 A N 4.681 127.501 122.820 0.002 0.000 2.366 377 A HA 0.733 5.053 4.320 0.000 0.000 0.272 377 A C -0.447 177.138 177.584 0.001 0.000 1.135 377 A CA -0.256 51.781 52.037 0.001 0.000 0.804 377 A CB 0.727 19.727 19.000 0.001 0.000 1.064 377 A HN 0.777 nan 8.150 nan 0.000 0.499 378 V N 4.683 124.597 119.914 0.000 0.000 2.378 378 V HA 0.293 4.413 4.120 0.000 0.000 0.288 378 V C -0.167 175.928 176.094 0.000 0.000 1.016 378 V CA -0.142 62.158 62.300 -0.000 0.000 0.840 378 V CB 1.155 32.977 31.823 -0.001 0.000 0.994 378 V HN 0.741 nan 8.190 nan 0.000 0.431 379 I N 5.278 125.849 120.570 0.001 0.000 2.315 379 I HA 0.367 4.537 4.170 0.000 0.000 0.291 379 I C 0.269 176.387 176.117 0.001 0.000 1.006 379 I CA -0.251 61.050 61.300 0.002 0.000 1.265 379 I CB 0.926 38.928 38.000 0.003 0.000 1.387 379 I HN 0.476 nan 8.210 nan 0.000 0.475 380 K N 5.789 126.189 120.400 -0.000 0.000 2.265 380 K HA 0.490 4.810 4.320 0.000 0.000 0.267 380 K C -0.978 175.622 176.600 -0.001 0.000 0.994 380 K CA -0.675 55.612 56.287 -0.001 0.000 0.860 380 K CB 2.186 34.684 32.500 -0.002 0.000 1.099 380 K HN 0.301 nan 8.250 nan 0.000 0.448 381 V N 2.983 122.896 119.914 -0.001 0.000 2.368 381 V HA 0.227 4.347 4.120 0.000 0.000 0.266 381 V C 0.741 176.834 176.094 -0.001 0.000 1.045 381 V CA -0.707 61.593 62.300 -0.000 0.000 0.899 381 V CB 1.000 32.823 31.823 0.000 0.000 1.006 381 V HN 0.902 nan 8.190 nan 0.000 0.470 382 G N 3.459 112.259 108.800 -0.001 0.000 2.476 382 G HA2 0.727 4.687 3.960 0.000 0.000 0.269 382 G HA3 0.727 4.687 3.960 0.000 0.000 0.269 382 G C -0.272 174.627 174.900 -0.002 0.000 1.195 382 G CA 0.385 45.484 45.100 -0.002 0.000 0.843 382 G HN 1.241 nan 8.290 nan 0.000 0.545 383 A N -0.362 122.457 122.820 -0.002 0.000 2.540 383 A HA 0.765 5.085 4.320 0.000 0.000 0.291 383 A C 0.704 178.286 177.584 -0.002 0.000 1.083 383 A CA 0.392 52.428 52.037 -0.002 0.000 0.650 383 A CB 0.337 19.335 19.000 -0.002 0.000 1.292 383 A HN 1.775 nan 8.150 nan 0.000 0.435 384 A N -0.534 122.285 122.820 -0.002 0.000 1.935 384 A HA 0.459 4.779 4.320 0.000 0.000 0.214 384 A C 1.209 178.792 177.584 -0.003 0.000 1.178 384 A CA 2.248 54.283 52.037 -0.002 0.000 0.640 384 A CB -0.497 18.502 19.000 -0.002 0.000 0.825 384 A HN 2.079 nan 8.150 nan 0.000 0.447 385 T N -4.314 110.239 114.554 -0.003 0.000 2.916 385 T HA 0.472 4.822 4.350 0.000 0.000 0.292 385 T C 0.459 175.158 174.700 -0.003 0.000 1.055 385 T CA 0.057 62.155 62.100 -0.003 0.000 1.009 385 T CB 1.907 70.773 68.868 -0.003 0.000 1.118 385 T HN 0.247 nan 8.240 nan 0.000 0.497 386 E N 0.166 120.364 120.200 -0.003 0.000 2.114 386 E HA -0.187 4.163 4.350 0.000 0.000 0.199 386 E C 1.754 178.352 176.600 -0.003 0.000 1.008 386 E CA 1.814 58.212 56.400 -0.004 0.000 0.810 386 E CB -0.245 29.453 29.700 -0.004 0.000 0.739 386 E HN 0.556 nan 8.360 nan 0.000 0.456 387 V N 0.618 120.530 119.914 -0.003 0.000 2.358 387 V HA -0.199 3.921 4.120 0.000 0.000 0.246 387 V C 2.072 178.164 176.094 -0.003 0.000 1.047 387 V CA 2.077 64.375 62.300 -0.003 0.000 1.035 387 V CB -0.517 31.304 31.823 -0.003 0.000 0.658 387 V HN 0.240 nan 8.190 nan 0.000 0.452 388 E N -0.605 119.593 120.200 -0.003 0.000 2.208 388 E HA -0.147 4.203 4.350 0.000 0.000 0.193 388 E C 2.129 178.727 176.600 -0.003 0.000 0.988 388 E CA 0.891 57.290 56.400 -0.003 0.000 0.828 388 E CB -0.084 29.614 29.700 -0.003 0.000 0.763 388 E HN 0.450 nan 8.360 nan 0.000 0.478 389 M N 0.668 120.266 119.600 -0.003 0.000 2.134 389 M HA -0.119 4.361 4.480 0.000 0.000 0.262 389 M C 1.561 177.859 176.300 -0.003 0.000 1.076 389 M CA 1.268 56.566 55.300 -0.003 0.000 1.143 389 M CB 0.032 32.630 32.600 -0.003 0.000 1.346 389 M HN -0.119 nan 8.290 nan 0.000 0.421 390 K N 0.492 120.890 120.400 -0.003 0.000 2.152 390 K HA -0.202 4.118 4.320 0.000 0.000 0.206 390 K C 1.803 178.400 176.600 -0.004 0.000 1.048 390 K CA 1.386 57.671 56.287 -0.003 0.000 0.933 390 K CB -0.674 31.824 32.500 -0.004 0.000 0.721 390 K HN 0.574 nan 8.250 nan 0.000 0.447 391 E N 1.247 121.445 120.200 -0.004 0.000 2.028 391 E HA -0.154 4.196 4.350 0.000 0.000 0.190 391 E C 2.097 178.695 176.600 -0.003 0.000 0.984 391 E CA 0.934 57.332 56.400 -0.004 0.000 0.800 391 E CB 0.119 29.816 29.700 -0.004 0.000 0.758 391 E HN 0.185 nan 8.360 nan 0.000 0.448 392 K N 1.049 121.448 120.400 -0.002 0.000 2.097 392 K HA -0.193 4.127 4.320 0.000 0.000 0.206 392 K C 2.301 178.901 176.600 -0.000 0.000 1.049 392 K CA 1.362 57.648 56.287 -0.001 0.000 0.933 392 K CB -0.060 32.439 32.500 -0.001 0.000 0.717 392 K HN -0.063 nan 8.250 nan 0.000 0.442 393 K N 0.268 120.667 120.400 -0.000 0.000 2.044 393 K HA -0.192 4.128 4.320 0.000 0.000 0.210 393 K C 1.952 178.553 176.600 0.001 0.000 1.049 393 K CA 1.547 57.835 56.287 0.001 0.000 0.927 393 K CB -0.236 32.264 32.500 -0.000 0.000 0.713 393 K HN 0.217 nan 8.250 nan 0.000 0.443 394 A N 1.295 124.114 122.820 -0.002 0.000 1.933 394 A HA -0.156 4.164 4.320 0.000 0.000 0.218 394 A C 2.131 179.713 177.584 -0.003 0.000 1.175 394 A CA 1.417 53.452 52.037 -0.004 0.000 0.628 394 A CB -0.464 18.531 19.000 -0.008 0.000 0.814 394 A HN 0.344 nan 8.150 nan 0.000 0.444 395 R N -0.756 119.743 120.500 -0.001 0.000 2.081 395 R HA -0.085 4.255 4.340 0.000 0.000 0.235 395 R C 2.054 178.359 176.300 0.007 0.000 1.131 395 R CA 1.512 57.613 56.100 0.001 0.000 0.960 395 R CB -0.453 29.847 30.300 0.000 0.000 0.856 395 R HN 0.404 nan 8.270 nan 0.000 0.436 396 V N 0.977 120.896 119.914 0.008 0.000 2.343 396 V HA -0.234 3.886 4.120 0.000 0.000 0.247 396 V C 1.946 178.053 176.094 0.022 0.000 1.051 396 V CA 1.795 64.103 62.300 0.013 0.000 1.036 396 V CB -0.408 31.421 31.823 0.010 0.000 0.654 396 V HN 0.356 nan 8.190 nan 0.000 0.451 397 E N -0.087 120.125 120.200 0.020 0.000 2.051 397 E HA -0.230 4.120 4.350 0.000 0.000 0.192 397 E C 2.060 178.690 176.600 0.050 0.000 0.991 397 E CA 1.559 57.978 56.400 0.032 0.000 0.799 397 E CB -0.171 29.540 29.700 0.018 0.000 0.748 397 E HN 0.588 nan 8.360 nan 0.000 0.449 398 D N 0.171 120.586 120.400 0.025 0.000 2.097 398 D HA -0.149 4.491 4.640 0.000 0.000 0.195 398 D C 1.898 178.236 176.300 0.062 0.000 0.989 398 D CA 1.306 55.320 54.000 0.023 0.000 0.827 398 D CB -0.255 40.541 40.800 -0.007 0.000 0.966 398 D HN 0.168 nan 8.370 nan 0.000 0.456 399 A N 0.878 123.724 122.820 0.043 0.000 1.902 399 A HA -0.157 4.163 4.320 0.000 0.000 0.217 399 A C 2.178 179.794 177.584 0.054 0.000 1.181 399 A CA 1.033 53.095 52.037 0.041 0.000 0.623 399 A CB -0.680 18.335 19.000 0.024 0.000 0.818 399 A HN 0.235 nan 8.150 nan 0.000 0.443 400 L N -0.840 120.418 121.223 0.059 0.000 2.017 400 L HA -0.181 4.159 4.340 0.000 0.000 0.208 400 L C 2.398 179.307 176.870 0.066 0.000 1.073 400 L CA 2.631 57.501 54.840 0.050 0.000 0.745 400 L CB -0.856 41.229 42.059 0.044 0.000 0.894 400 L HN 0.614 nan 8.230 nan 0.000 0.432 401 H N -0.285 118.785 119.070 0.000 0.000 2.352 401 H HA -0.132 4.424 4.556 0.000 0.000 0.299 401 H C 1.950 177.280 175.328 0.003 0.000 1.097 401 H CA 1.715 57.764 56.048 0.001 0.000 1.311 401 H CB 0.127 29.890 29.762 0.001 0.000 1.377 401 H HN 0.481 nan 8.280 nan 0.000 0.504 402 A N -0.120 122.814 122.820 0.190 0.000 1.902 402 A HA -0.145 4.175 4.320 0.000 0.000 0.217 402 A C 2.663 180.267 177.584 0.033 0.000 1.181 402 A CA 2.070 54.173 52.037 0.111 0.000 0.623 402 A CB -0.939 18.113 19.000 0.086 0.000 0.818 402 A HN 0.515 nan 8.150 nan 0.000 0.443 403 T N -0.715 113.851 114.554 0.022 0.000 2.821 403 T HA -0.111 4.239 4.350 0.000 0.000 0.267 403 T C 2.165 176.853 174.700 -0.019 0.000 1.046 403 T CA 1.289 63.391 62.100 0.003 0.000 1.139 403 T CB -0.227 68.645 68.868 0.007 0.000 0.871 403 T HN 0.306 nan 8.240 nan 0.000 0.454 404 R N 1.676 122.149 120.500 -0.046 0.000 2.073 404 R HA 0.099 4.439 4.340 0.000 0.000 0.234 404 R C 2.567 178.820 176.300 -0.078 0.000 1.134 404 R CA 1.814 57.869 56.100 -0.074 0.000 0.952 404 R CB -1.207 29.015 30.300 -0.130 0.000 0.850 404 R HN 0.410 nan 8.270 nan 0.000 0.433 405 A N 0.469 123.232 122.820 -0.095 0.000 1.883 405 A HA -0.124 4.196 4.320 0.000 0.000 0.217 405 A C 2.364 179.936 177.584 -0.020 0.000 1.186 405 A CA 2.192 54.197 52.037 -0.055 0.000 0.624 405 A CB -0.869 18.117 19.000 -0.024 0.000 0.822 405 A HN 0.430 nan 8.150 nan 0.000 0.444 406 A N -0.933 121.882 122.820 -0.010 0.000 1.972 406 A HA 0.034 4.354 4.320 0.000 0.000 0.219 406 A C 2.202 179.783 177.584 -0.004 0.000 1.169 406 A CA 1.719 53.756 52.037 -0.000 0.000 0.635 406 A CB -0.708 18.295 19.000 0.005 0.000 0.810 406 A HN 0.384 nan 8.150 nan 0.000 0.446 407 V N -0.152 119.755 119.914 -0.011 0.000 2.453 407 V HA -0.204 3.916 4.120 0.000 0.000 0.247 407 V C 2.348 178.436 176.094 -0.010 0.000 1.048 407 V CA 2.071 64.365 62.300 -0.010 0.000 1.049 407 V CB -0.606 31.209 31.823 -0.014 0.000 0.672 407 V HN 0.649 nan 8.190 nan 0.000 0.457 408 E N -0.094 120.097 120.200 -0.014 0.000 2.077 408 E HA -0.204 4.146 4.350 0.000 0.000 0.193 408 E C 1.553 178.150 176.600 -0.004 0.000 0.989 408 E CA 1.568 57.961 56.400 -0.011 0.000 0.800 408 E CB 0.029 29.720 29.700 -0.016 0.000 0.746 408 E HN 0.667 nan 8.360 nan 0.000 0.452 409 E N -1.381 118.818 120.200 -0.002 0.000 2.712 409 E HA 0.221 4.571 4.350 0.000 0.000 0.221 409 E C 0.239 176.842 176.600 0.005 0.000 0.943 409 E CA 0.139 56.540 56.400 0.003 0.000 1.259 409 E CB 1.760 31.463 29.700 0.005 0.000 1.167 409 E HN 0.217 nan 8.360 nan 0.000 0.569 410 G N 1.333 110.136 108.800 0.005 0.000 2.627 410 G HA2 -0.186 3.774 3.960 0.000 0.000 0.214 410 G HA3 -0.186 3.774 3.960 0.000 0.000 0.214 410 G C -0.381 174.525 174.900 0.011 0.000 1.331 410 G CA -0.491 44.613 45.100 0.007 0.000 0.891 410 G HN 0.511 nan 8.290 nan 0.000 0.539 411 V N -2.455 117.466 119.914 0.012 0.000 2.960 411 V HA 0.979 5.099 4.120 0.000 0.000 0.315 411 V C 0.647 176.751 176.094 0.016 0.000 1.087 411 V CA 0.044 62.353 62.300 0.015 0.000 0.982 411 V CB 1.267 33.098 31.823 0.014 0.000 1.039 411 V HN 2.420 nan 8.190 nan 0.000 0.437 412 V N -0.693 119.232 119.914 0.018 0.000 3.141 412 V HA 1.017 5.137 4.120 0.000 0.000 0.312 412 V C 0.455 176.561 176.094 0.021 0.000 1.157 412 V CA -0.647 61.665 62.300 0.020 0.000 1.041 412 V CB 1.278 33.114 31.823 0.021 0.000 1.071 412 V HN 1.974 nan 8.190 nan 0.000 0.441 413 A N 0.855 123.690 122.820 0.024 0.000 2.498 413 A HA 0.673 4.993 4.320 0.000 0.000 0.239 413 A C 0.827 178.422 177.584 0.020 0.000 1.068 413 A CA 0.627 52.677 52.037 0.023 0.000 0.766 413 A CB -0.326 18.692 19.000 0.032 0.000 1.003 413 A HN 1.945 nan 8.150 nan 0.000 0.497 414 G N 0.045 108.853 108.800 0.013 0.000 2.574 414 G HA2 0.531 4.491 3.960 0.000 0.000 0.248 414 G HA3 0.531 4.491 3.960 0.000 0.000 0.248 414 G C 1.077 175.983 174.900 0.011 0.000 1.422 414 G CA -0.099 45.008 45.100 0.011 0.000 1.051 414 G HN 2.243 nan 8.290 nan 0.000 0.560 415 G N -2.037 106.768 108.800 0.009 0.000 2.179 415 G HA2 0.210 4.170 3.960 0.000 0.000 0.257 415 G HA3 0.210 4.170 3.960 0.000 0.000 0.257 415 G C 1.522 176.438 174.900 0.027 0.000 1.010 415 G CA 1.186 46.296 45.100 0.016 0.000 0.736 415 G HN 2.473 nan 8.290 nan 0.000 0.513 416 G N -2.327 106.488 108.800 0.024 0.000 2.168 416 G HA2 -0.130 3.830 3.960 0.000 0.000 0.263 416 G HA3 -0.130 3.830 3.960 0.000 0.000 0.263 416 G C 1.878 176.796 174.900 0.031 0.000 0.977 416 G CA 1.921 47.037 45.100 0.027 0.000 0.659 416 G HN 2.178 nan 8.290 nan 0.000 0.533 417 V N -0.432 119.502 119.914 0.033 0.000 2.548 417 V HA 0.320 4.440 4.120 0.000 0.000 0.249 417 V C 2.833 178.951 176.094 0.041 0.000 1.055 417 V CA 2.224 64.549 62.300 0.041 0.000 1.065 417 V CB -0.542 31.310 31.823 0.047 0.000 0.681 417 V HN 1.408 nan 8.190 nan 0.000 0.462 418 A N 0.616 123.457 122.820 0.034 0.000 1.873 418 A HA -0.182 4.138 4.320 0.000 0.000 0.218 418 A C 2.240 179.842 177.584 0.030 0.000 1.193 418 A CA 2.523 54.579 52.037 0.032 0.000 0.629 418 A CB -0.828 18.188 19.000 0.027 0.000 0.826 418 A HN 0.616 nan 8.150 nan 0.000 0.447 419 L N -1.090 120.149 121.223 0.027 0.000 2.056 419 L HA -0.106 4.234 4.340 0.000 0.000 0.207 419 L C 2.534 179.420 176.870 0.026 0.000 1.078 419 L CA 1.099 55.954 54.840 0.025 0.000 0.749 419 L CB -0.351 41.722 42.059 0.023 0.000 0.901 419 L HN 0.415 nan 8.230 nan 0.000 0.433 420 I N -0.566 120.022 120.570 0.030 0.000 2.286 420 I HA -0.309 3.861 4.170 0.000 0.000 0.248 420 I C 2.788 178.927 176.117 0.037 0.000 1.115 420 I CA 0.898 62.218 61.300 0.034 0.000 1.392 420 I CB -0.004 38.020 38.000 0.040 0.000 1.065 420 I HN 0.211 nan 8.210 nan 0.000 0.418 421 R N 0.265 120.789 120.500 0.041 0.000 2.066 421 R HA -0.097 4.243 4.340 0.000 0.000 0.232 421 R C 2.061 178.380 176.300 0.031 0.000 1.131 421 R CA 1.502 57.628 56.100 0.043 0.000 0.955 421 R CB -0.934 29.395 30.300 0.048 0.000 0.851 421 R HN 0.178 nan 8.270 nan 0.000 0.432 422 V N 0.650 120.580 119.914 0.026 0.000 2.295 422 V HA -0.232 3.888 4.120 0.000 0.000 0.246 422 V C 2.318 178.422 176.094 0.018 0.000 1.049 422 V CA 2.041 64.353 62.300 0.020 0.000 1.024 422 V CB -0.931 30.902 31.823 0.017 0.000 0.648 422 V HN 0.479 nan 8.190 nan 0.000 0.447 423 A N 0.644 123.475 122.820 0.019 0.000 1.933 423 A HA -0.204 4.116 4.320 0.000 0.000 0.218 423 A C 2.513 180.106 177.584 0.016 0.000 1.175 423 A CA 2.160 54.207 52.037 0.016 0.000 0.628 423 A CB -0.808 18.202 19.000 0.016 0.000 0.814 423 A HN 0.705 nan 8.150 nan 0.000 0.444 424 S N -0.267 115.445 115.700 0.020 0.000 2.469 424 S HA -0.126 4.344 4.470 0.000 0.000 0.238 424 S C 1.579 176.188 174.600 0.015 0.000 0.998 424 S CA 1.477 59.688 58.200 0.019 0.000 0.957 424 S CB -0.335 62.880 63.200 0.024 0.000 0.764 424 S HN 0.601 nan 8.310 nan 0.000 0.514 425 K N 0.379 120.788 120.400 0.015 0.000 2.459 425 K HA 0.291 4.611 4.320 0.000 0.000 0.193 425 K C 0.965 177.570 176.600 0.009 0.000 1.030 425 K CA 0.374 56.669 56.287 0.012 0.000 1.026 425 K CB -0.053 32.455 32.500 0.013 0.000 0.809 425 K HN 0.438 nan 8.250 nan 0.000 0.504 426 L N -0.573 120.655 121.223 0.009 0.000 2.808 426 L HA 0.225 4.565 4.340 0.000 0.000 0.246 426 L C 1.748 178.621 176.870 0.006 0.000 1.153 426 L CA -0.110 54.734 54.840 0.007 0.000 0.956 426 L CB 0.289 42.352 42.059 0.006 0.000 1.270 426 L HN 0.016 nan 8.230 nan 0.000 0.528 427 A N 0.026 122.850 122.820 0.006 0.000 2.070 427 A HA -0.174 4.146 4.320 0.000 0.000 0.220 427 A C 1.612 179.199 177.584 0.004 0.000 1.159 427 A CA 1.435 53.475 52.037 0.005 0.000 0.656 427 A CB -0.209 18.794 19.000 0.006 0.000 0.800 427 A HN 0.351 nan 8.150 nan 0.000 0.453 428 D N -0.881 119.521 120.400 0.003 0.000 2.340 428 D HA 0.077 4.717 4.640 0.000 0.000 0.220 428 D C 0.331 176.632 176.300 0.002 0.000 1.039 428 D CA -0.073 53.928 54.000 0.002 0.000 0.866 428 D CB -0.044 40.758 40.800 0.002 0.000 0.913 428 D HN 0.366 nan 8.370 nan 0.000 0.523 429 L N 1.970 123.194 121.223 0.003 0.000 2.455 429 L HA 0.095 4.435 4.340 0.000 0.000 0.272 429 L C 0.010 176.881 176.870 0.002 0.000 1.174 429 L CA 0.483 55.325 54.840 0.002 0.000 0.869 429 L CB 0.238 42.298 42.059 0.002 0.000 1.130 429 L HN -0.255 nan 8.230 nan 0.000 0.474 430 R N 3.201 123.701 120.500 0.001 0.000 2.837 430 R HA 0.722 5.062 4.340 0.000 0.000 0.271 430 R C -0.114 176.186 176.300 0.001 0.000 0.993 430 R CA -0.304 55.797 56.100 0.001 0.000 0.931 430 R CB 1.517 31.817 30.300 0.001 0.000 1.206 430 R HN 0.833 nan 8.270 nan 0.000 0.474 431 G N -0.220 108.580 108.800 0.001 0.000 3.122 431 G HA2 0.215 4.175 3.960 0.000 0.000 0.180 431 G HA3 0.215 4.175 3.960 0.000 0.000 0.180 431 G C -0.061 174.839 174.900 0.001 0.000 1.279 431 G CA -0.252 44.848 45.100 0.001 0.000 0.987 431 G HN 0.411 nan 8.290 nan 0.000 0.589 432 Q N -0.300 119.500 119.800 0.001 0.000 2.424 432 Q HA 0.175 4.515 4.340 0.000 0.000 0.204 432 Q C -0.033 175.968 176.000 0.001 0.000 0.933 432 Q CA 0.586 56.390 55.803 0.001 0.000 0.929 432 Q CB 0.140 28.878 28.738 0.001 0.000 1.037 432 Q HN 0.583 nan 8.270 nan 0.000 0.511 433 N N -2.891 115.810 118.700 0.001 0.000 3.116 433 N HA 0.165 4.905 4.740 0.000 0.000 0.244 433 N C 0.212 175.723 175.510 0.002 0.000 1.485 433 N CA 0.083 53.134 53.050 0.001 0.000 0.884 433 N CB 0.170 38.658 38.487 0.002 0.000 1.415 433 N HN -0.156 nan 8.380 nan 0.000 0.524 434 E N -0.296 119.905 120.200 0.002 0.000 2.110 434 E HA -0.190 4.160 4.350 0.000 0.000 0.193 434 E C 0.819 177.421 176.600 0.002 0.000 0.988 434 E CA 2.039 58.440 56.400 0.002 0.000 0.804 434 E CB -1.026 28.675 29.700 0.002 0.000 0.745 434 E HN 0.654 nan 8.360 nan 0.000 0.458 435 D N -0.057 120.345 120.400 0.003 0.000 2.149 435 D HA -0.095 4.545 4.640 0.000 0.000 0.201 435 D C 2.122 178.424 176.300 0.003 0.000 0.972 435 D CA 1.144 55.146 54.000 0.003 0.000 0.835 435 D CB -0.276 40.526 40.800 0.004 0.000 0.966 435 D HN 0.566 nan 8.370 nan 0.000 0.476 436 Q N 0.129 119.931 119.800 0.003 0.000 2.167 436 Q HA -0.073 4.267 4.340 0.000 0.000 0.202 436 Q C 1.544 177.546 176.000 0.002 0.000 0.970 436 Q CA 0.673 56.478 55.803 0.003 0.000 0.855 436 Q CB 0.074 28.813 28.738 0.002 0.000 0.911 436 Q HN 0.215 nan 8.270 nan 0.000 0.438 437 N N -0.318 118.384 118.700 0.002 0.000 2.331 437 N HA -0.080 4.660 4.740 0.000 0.000 0.180 437 N C 1.679 177.191 175.510 0.003 0.000 1.019 437 N CA 0.665 53.716 53.050 0.002 0.000 0.881 437 N CB 0.044 38.532 38.487 0.002 0.000 0.972 437 N HN 0.039 nan 8.380 nan 0.000 0.435 438 V N 0.623 120.539 119.914 0.003 0.000 2.407 438 V HA -0.056 4.064 4.120 0.000 0.000 0.245 438 V C 2.409 178.506 176.094 0.004 0.000 1.041 438 V CA 1.839 64.141 62.300 0.004 0.000 1.040 438 V CB -1.090 30.736 31.823 0.004 0.000 0.671 438 V HN 0.282 nan 8.190 nan 0.000 0.455 439 G N 0.267 109.070 108.800 0.004 0.000 2.491 439 G HA2 -0.285 3.675 3.960 0.000 0.000 0.218 439 G HA3 -0.285 3.675 3.960 0.000 0.000 0.218 439 G C 1.580 176.482 174.900 0.004 0.000 1.180 439 G CA 1.369 46.472 45.100 0.005 0.000 0.774 439 G HN 0.480 nan 8.290 nan 0.000 0.562 440 I N 0.344 120.916 120.570 0.003 0.000 2.208 440 I HA -0.166 4.004 4.170 0.000 0.000 0.245 440 I C 2.728 178.848 176.117 0.004 0.000 1.097 440 I CA 1.140 62.442 61.300 0.003 0.000 1.363 440 I CB -0.080 37.921 38.000 0.003 0.000 1.051 440 I HN -0.001 nan 8.210 nan 0.000 0.413 441 K N 0.395 120.798 120.400 0.004 0.000 2.097 441 K HA -0.062 4.258 4.320 0.000 0.000 0.206 441 K C 2.137 178.741 176.600 0.006 0.000 1.049 441 K CA 0.951 57.241 56.287 0.005 0.000 0.933 441 K CB -0.773 31.729 32.500 0.005 0.000 0.717 441 K HN 0.194 nan 8.250 nan 0.000 0.442 442 V N 1.540 121.458 119.914 0.006 0.000 2.332 442 V HA -0.268 3.852 4.120 0.000 0.000 0.248 442 V C 2.374 178.472 176.094 0.008 0.000 1.055 442 V CA 2.114 64.419 62.300 0.007 0.000 1.038 442 V CB -0.653 31.175 31.823 0.007 0.000 0.651 442 V HN 0.315 nan 8.190 nan 0.000 0.450 443 A N -0.648 122.176 122.820 0.007 0.000 1.898 443 A HA -0.019 4.301 4.320 0.000 0.000 0.214 443 A C 2.137 179.726 177.584 0.008 0.000 1.183 443 A CA 1.190 53.231 52.037 0.007 0.000 0.622 443 A CB -0.379 18.624 19.000 0.005 0.000 0.824 443 A HN 0.494 nan 8.150 nan 0.000 0.444 444 L N -1.102 120.126 121.223 0.008 0.000 2.083 444 L HA -0.151 4.189 4.340 0.000 0.000 0.209 444 L C 2.761 179.638 176.870 0.010 0.000 1.083 444 L CA 1.626 56.471 54.840 0.009 0.000 0.752 444 L CB -0.513 41.551 42.059 0.008 0.000 0.899 444 L HN 0.378 nan 8.230 nan 0.000 0.433 445 R N 0.226 120.732 120.500 0.009 0.000 2.096 445 R HA -0.138 4.202 4.340 0.000 0.000 0.235 445 R C 2.368 178.674 176.300 0.010 0.000 1.127 445 R CA 1.322 57.427 56.100 0.009 0.000 0.968 445 R CB -0.212 30.093 30.300 0.008 0.000 0.861 445 R HN 0.362 nan 8.270 nan 0.000 0.440 446 A N 0.229 123.056 122.820 0.011 0.000 2.015 446 A HA -0.128 4.192 4.320 0.000 0.000 0.219 446 A C 2.005 179.597 177.584 0.014 0.000 1.163 446 A CA 1.115 53.160 52.037 0.012 0.000 0.646 446 A CB -0.299 18.709 19.000 0.013 0.000 0.806 446 A HN 0.296 nan 8.150 nan 0.000 0.448 447 M N -0.423 119.186 119.600 0.014 0.000 2.557 447 M HA -0.096 4.384 4.480 0.000 0.000 0.259 447 M C 1.357 177.668 176.300 0.017 0.000 1.086 447 M CA 0.948 56.257 55.300 0.016 0.000 1.096 447 M CB -0.201 32.409 32.600 0.016 0.000 1.424 447 M HN 0.476 nan 8.290 nan 0.000 0.488 448 E N 0.231 120.441 120.200 0.016 0.000 2.435 448 E HA -0.007 4.343 4.350 0.000 0.000 0.195 448 E C 2.025 178.632 176.600 0.013 0.000 1.029 448 E CA 0.581 56.990 56.400 0.015 0.000 0.865 448 E CB 0.013 29.721 29.700 0.013 0.000 0.833 448 E HN 0.490 nan 8.360 nan 0.000 0.510 449 A N 2.413 125.240 122.820 0.013 0.000 1.902 449 A HA -0.085 4.235 4.320 0.000 0.000 0.217 449 A C -0.296 177.295 177.584 0.011 0.000 1.181 449 A CA 1.000 53.044 52.037 0.010 0.000 0.623 449 A CB -1.223 17.784 19.000 0.011 0.000 0.818 449 A HN 0.124 nan 8.150 nan 0.000 0.443 450 P HA -0.167 nan 4.420 nan 0.000 0.214 450 P C 1.825 179.134 177.300 0.016 0.000 1.163 450 P CA 0.907 64.016 63.100 0.016 0.000 0.883 450 P CB -0.159 31.552 31.700 0.019 0.000 0.788 451 L N -0.557 120.676 121.223 0.017 0.000 2.021 451 L HA -0.262 4.078 4.340 0.000 0.000 0.215 451 L C 2.474 179.346 176.870 0.004 0.000 1.074 451 L CA 1.918 56.768 54.840 0.017 0.000 0.760 451 L CB -0.332 41.738 42.059 0.020 0.000 0.889 451 L HN -0.151 nan 8.230 nan 0.000 0.433 452 R N -1.026 119.473 120.500 -0.001 0.000 2.120 452 R HA -0.217 4.123 4.340 0.000 0.000 0.234 452 R C 2.271 178.566 176.300 -0.008 0.000 1.123 452 R CA 1.548 57.641 56.100 -0.012 0.000 0.975 452 R CB -0.264 30.032 30.300 -0.007 0.000 0.866 452 R HN 0.419 nan 8.270 nan 0.000 0.446 453 Q N 0.986 120.787 119.800 0.001 0.000 2.137 453 Q HA -0.009 4.331 4.340 0.000 0.000 0.198 453 Q C 1.781 177.786 176.000 0.008 0.000 0.960 453 Q CA 1.243 57.048 55.803 0.004 0.000 0.847 453 Q CB -0.003 28.739 28.738 0.006 0.000 0.915 453 Q HN 0.306 nan 8.270 nan 0.000 0.448 454 I N -0.650 119.929 120.570 0.014 0.000 2.226 454 I HA -0.260 3.910 4.170 0.000 0.000 0.245 454 I C 1.910 178.049 176.117 0.037 0.000 1.100 454 I CA 0.900 62.215 61.300 0.026 0.000 1.374 454 I CB -0.149 37.872 38.000 0.036 0.000 1.057 454 I HN 0.067 nan 8.210 nan 0.000 0.413 455 V N 0.341 120.267 119.914 0.019 0.000 2.358 455 V HA -0.257 3.863 4.120 0.000 0.000 0.246 455 V C 2.342 178.433 176.094 -0.005 0.000 1.047 455 V CA 1.414 63.711 62.300 -0.004 0.000 1.035 455 V CB -0.508 31.251 31.823 -0.107 0.000 0.658 455 V HN 0.335 nan 8.190 nan 0.000 0.452 456 L N 0.952 122.170 121.223 -0.008 0.000 2.042 456 L HA -0.170 4.170 4.340 0.000 0.000 0.210 456 L C 2.208 179.081 176.870 0.005 0.000 1.076 456 L CA 1.947 56.784 54.840 -0.004 0.000 0.749 456 L CB -0.873 41.184 42.059 -0.004 0.000 0.893 456 L HN 0.325 nan 8.230 nan 0.000 0.432 457 N N -1.111 117.594 118.700 0.009 0.000 2.223 457 N HA -0.172 4.568 4.740 0.000 0.000 0.185 457 N C 1.802 177.321 175.510 0.015 0.000 1.016 457 N CA 1.656 54.712 53.050 0.010 0.000 0.863 457 N CB -0.827 37.665 38.487 0.009 0.000 0.983 457 N HN 0.435 nan 8.380 nan 0.000 0.429 458 C N -0.688 118.628 119.300 0.028 0.000 2.437 458 C HA 0.180 4.640 4.460 0.000 0.000 0.283 458 C C 1.790 176.796 174.990 0.027 0.000 1.424 458 C CA 0.557 59.597 59.018 0.036 0.000 1.782 458 C CB -1.219 26.572 27.740 0.084 0.000 1.833 458 C HN 0.647 nan 8.230 nan 0.000 0.532 459 G N 0.370 109.180 108.800 0.017 0.000 2.141 459 G HA2 -0.159 3.801 3.960 0.000 0.000 0.242 459 G HA3 -0.159 3.801 3.960 0.000 0.000 0.242 459 G C -0.156 174.751 174.900 0.011 0.000 0.982 459 G CA 0.216 45.324 45.100 0.012 0.000 0.662 459 G HN 0.500 nan 8.290 nan 0.000 0.527 460 E N 0.253 120.458 120.200 0.009 0.000 2.302 460 E HA 0.472 4.822 4.350 0.000 0.000 0.255 460 E C 0.118 176.696 176.600 -0.036 0.000 1.099 460 E CA -0.652 55.741 56.400 -0.011 0.000 0.929 460 E CB 0.581 30.269 29.700 -0.020 0.000 1.203 460 E HN 0.483 nan 8.360 nan 0.000 0.459 461 E N 1.505 121.674 120.200 -0.052 0.000 2.046 461 E HA 0.150 4.500 4.350 0.000 0.000 0.279 461 E C -1.746 174.817 176.600 -0.062 0.000 0.989 461 E CA -1.715 54.660 56.400 -0.042 0.000 0.798 461 E CB 1.125 30.811 29.700 -0.024 0.000 1.086 461 E HN 0.122 nan 8.360 nan 0.000 0.399 462 P HA -0.158 nan 4.420 nan 0.000 0.215 462 P C 1.235 178.508 177.300 -0.046 0.000 1.153 462 P CA 1.067 64.133 63.100 -0.057 0.000 0.853 462 P CB 0.348 32.029 31.700 -0.032 0.000 0.788 463 S N -0.878 114.805 115.700 -0.028 0.000 2.382 463 S HA -0.094 4.376 4.470 0.000 0.000 0.228 463 S C 1.994 176.585 174.600 -0.014 0.000 1.027 463 S CA 1.024 59.215 58.200 -0.016 0.000 0.991 463 S CB -1.095 62.100 63.200 -0.009 0.000 0.823 463 S HN -0.066 nan 8.310 nan 0.000 0.469 464 V N 1.167 121.070 119.914 -0.018 0.000 2.343 464 V HA -0.114 4.006 4.120 0.000 0.000 0.247 464 V C 2.228 178.324 176.094 0.004 0.000 1.051 464 V CA 1.448 63.745 62.300 -0.005 0.000 1.036 464 V CB -0.519 31.303 31.823 -0.001 0.000 0.654 464 V HN 0.339 nan 8.190 nan 0.000 0.451 465 V N 0.011 119.898 119.914 -0.046 0.000 2.488 465 V HA -0.130 3.990 4.120 0.000 0.000 0.246 465 V C 2.655 178.755 176.094 0.009 0.000 1.046 465 V CA 1.537 63.804 62.300 -0.055 0.000 1.053 465 V CB -0.938 30.652 31.823 -0.389 0.000 0.679 465 V HN 0.534 nan 8.190 nan 0.000 0.458 466 A N 0.648 123.459 122.820 -0.016 0.000 1.908 466 A HA -0.320 4.000 4.320 0.000 0.000 0.218 466 A C 2.063 179.668 177.584 0.036 0.000 1.181 466 A CA 2.579 54.624 52.037 0.013 0.000 0.627 466 A CB -0.824 18.178 19.000 0.003 0.000 0.818 466 A HN 0.610 nan 8.150 nan 0.000 0.445 467 N N -0.936 117.780 118.700 0.027 0.000 2.106 467 N HA -0.099 4.641 4.740 0.000 0.000 0.188 467 N C 1.704 177.237 175.510 0.039 0.000 1.029 467 N CA 2.160 55.225 53.050 0.025 0.000 0.848 467 N CB -0.366 38.128 38.487 0.012 0.000 1.007 467 N HN 0.372 nan 8.380 nan 0.000 0.423 468 T N -0.453 114.128 114.554 0.046 0.000 2.821 468 T HA -0.055 4.295 4.350 0.000 0.000 0.267 468 T C 1.921 176.710 174.700 0.148 0.000 1.046 468 T CA 1.064 63.180 62.100 0.027 0.000 1.139 468 T CB -0.315 68.496 68.868 -0.096 0.000 0.871 468 T HN 0.005 nan 8.240 nan 0.000 0.454 469 V N 1.574 121.599 119.914 0.185 0.000 2.358 469 V HA -0.143 3.977 4.120 0.000 0.000 0.246 469 V C 2.399 178.614 176.094 0.201 0.000 1.047 469 V CA 1.493 63.932 62.300 0.232 0.000 1.035 469 V CB -0.441 31.475 31.823 0.155 0.000 0.658 469 V HN 0.474 nan 8.190 nan 0.000 0.452 470 K N 0.283 120.752 120.400 0.116 0.000 2.280 470 K HA -0.094 4.226 4.320 0.000 0.000 0.202 470 K C 2.057 178.696 176.600 0.064 0.000 1.047 470 K CA 1.282 57.616 56.287 0.079 0.000 0.942 470 K CB -0.429 32.100 32.500 0.048 0.000 0.739 470 K HN 0.573 nan 8.250 nan 0.000 0.457 471 G N 0.906 109.741 108.800 0.059 0.000 2.623 471 G HA2 -0.012 3.948 3.960 0.000 0.000 0.214 471 G HA3 -0.012 3.948 3.960 0.000 0.000 0.214 471 G C 0.712 175.595 174.900 -0.030 0.000 1.138 471 G CA 0.418 45.521 45.100 0.006 0.000 0.794 471 G HN 0.341 nan 8.290 nan 0.000 0.535 472 G N -0.274 108.537 108.800 0.018 0.000 2.606 472 G HA2 0.543 4.503 3.960 0.000 0.000 0.262 472 G HA3 0.543 4.503 3.960 0.000 0.000 0.262 472 G C -0.840 174.061 174.900 0.002 0.000 1.394 472 G CA -0.014 45.007 45.100 -0.132 0.000 1.044 472 G HN 0.335 nan 8.290 nan 0.000 0.553 473 D N -3.635 116.770 120.400 0.009 0.000 2.759 473 D HA 0.550 5.190 4.640 0.000 0.000 0.321 473 D C 0.750 177.107 176.300 0.095 0.000 1.267 473 D CA 0.241 54.277 54.000 0.060 0.000 0.933 473 D CB 0.251 41.060 40.800 0.015 0.000 1.431 473 D HN 1.364 nan 8.370 nan 0.000 0.504 474 G N 0.307 109.150 108.800 0.071 0.000 2.651 474 G HA2 -0.390 3.570 3.960 0.000 0.000 0.315 474 G HA3 -0.390 3.570 3.960 0.000 0.000 0.315 474 G C 0.252 175.211 174.900 0.099 0.000 1.258 474 G CA 0.679 45.822 45.100 0.072 0.000 1.002 474 G HN 0.743 nan 8.290 nan 0.000 0.551 475 N N -0.086 118.678 118.700 0.106 0.000 2.313 475 N HA 0.288 5.028 4.740 0.000 0.000 0.207 475 N C 0.212 175.813 175.510 0.153 0.000 1.141 475 N CA -0.159 52.954 53.050 0.105 0.000 0.830 475 N CB 0.251 38.783 38.487 0.075 0.000 1.008 475 N HN 0.482 nan 8.380 nan 0.000 0.481 476 Y N 1.521 121.855 120.300 0.056 0.000 2.610 476 Y HA 0.307 4.857 4.550 0.000 0.000 0.332 476 Y C 0.754 176.725 175.900 0.118 0.000 1.201 476 Y CA 0.409 58.558 58.100 0.082 0.000 1.465 476 Y CB 0.197 38.697 38.460 0.066 0.000 1.283 476 Y HN 0.041 nan 8.280 nan 0.000 0.563 477 G N 3.865 112.481 108.800 -0.307 0.000 2.548 477 G HA2 0.251 4.212 3.960 0.000 0.000 0.301 477 G HA3 0.251 4.212 3.960 0.000 0.000 0.301 477 G C -2.508 172.308 174.900 -0.140 0.000 1.349 477 G CA -0.984 44.019 45.100 -0.161 0.000 0.792 477 G HN 0.547 nan 8.290 nan 0.000 0.481 478 Y N 1.571 121.737 120.300 -0.224 0.000 2.335 478 Y HA 0.579 5.129 4.550 0.000 0.000 0.339 478 Y C 0.024 175.773 175.900 -0.252 0.000 0.987 478 Y CA -1.334 56.540 58.100 -0.377 0.000 1.140 478 Y CB 1.437 39.654 38.460 -0.406 0.000 1.173 478 Y HN 0.433 nan 8.280 nan 0.000 0.486 479 N N 4.665 123.003 118.700 -0.604 0.000 2.415 479 N HA 0.184 4.924 4.740 0.000 0.000 0.246 479 N C 0.263 175.342 175.510 -0.718 0.000 1.078 479 N CA 0.502 53.266 53.050 -0.478 0.000 0.942 479 N CB 1.428 39.713 38.487 -0.336 0.000 1.140 479 N HN 0.885 nan 8.380 nan 0.000 0.501 480 A N 3.498 126.056 122.820 -0.437 0.000 2.119 480 A HA 0.104 4.424 4.320 0.000 0.000 0.216 480 A C 1.907 179.359 177.584 -0.220 0.000 1.152 480 A CA 1.189 53.033 52.037 -0.321 0.000 0.708 480 A CB -0.238 18.739 19.000 -0.037 0.000 0.805 480 A HN 0.699 nan 8.150 nan 0.000 0.460 481 A N -0.260 122.444 122.820 -0.193 0.000 1.970 481 A HA 0.007 4.327 4.320 0.000 0.000 0.216 481 A C 2.212 179.711 177.584 -0.142 0.000 1.170 481 A CA 2.075 54.033 52.037 -0.130 0.000 0.645 481 A CB -0.684 18.257 19.000 -0.099 0.000 0.816 481 A HN 0.664 nan 8.150 nan 0.000 0.447 482 T N -4.019 110.414 114.554 -0.201 0.000 3.023 482 T HA 0.272 4.622 4.350 0.000 0.000 0.253 482 T C 0.242 174.814 174.700 -0.213 0.000 1.038 482 T CA 0.578 62.578 62.100 -0.167 0.000 0.962 482 T CB -0.126 68.653 68.868 -0.148 0.000 1.018 482 T HN 0.524 nan 8.240 nan 0.000 0.521 483 E N 1.204 121.180 120.200 -0.374 0.000 2.416 483 E HA -0.127 4.223 4.350 0.000 0.000 0.249 483 E C -0.878 175.494 176.600 -0.379 0.000 1.124 483 E CA 0.424 56.562 56.400 -0.437 0.000 0.732 483 E CB -0.897 28.742 29.700 -0.101 0.000 1.286 483 E HN 0.608 nan 8.360 nan 0.000 0.394 484 E N -0.372 119.527 120.200 -0.502 0.000 2.317 484 E HA 0.369 4.719 4.350 0.000 0.000 0.270 484 E C -0.667 175.744 176.600 -0.315 0.000 0.885 484 E CA -0.707 55.544 56.400 -0.248 0.000 0.760 484 E CB 1.065 30.698 29.700 -0.111 0.000 1.227 484 E HN 0.049 nan 8.360 nan 0.000 0.434 485 Y N -0.013 120.268 120.300 -0.032 0.000 2.316 485 Y HA 0.622 5.172 4.550 0.000 0.000 0.324 485 Y C 1.209 177.053 175.900 -0.094 0.000 1.267 485 Y CA 0.524 58.561 58.100 -0.104 0.000 1.311 485 Y CB 1.722 40.136 38.460 -0.077 0.000 1.267 485 Y HN 0.675 nan 8.280 nan 0.000 0.516 486 G N 0.654 109.446 108.800 -0.013 0.000 2.325 486 G HA2 0.003 3.963 3.960 0.000 0.000 0.295 486 G HA3 0.003 3.963 3.960 0.000 0.000 0.295 486 G C -1.918 173.019 174.900 0.061 0.000 1.274 486 G CA -1.139 44.011 45.100 0.085 0.000 0.857 486 G HN 0.493 nan 8.290 nan 0.000 0.499 487 N N 1.023 119.781 118.700 0.096 0.000 2.408 487 N HA 0.171 4.911 4.740 0.000 0.000 0.257 487 N C 1.569 177.101 175.510 0.036 0.000 1.064 487 N CA -0.543 52.561 53.050 0.090 0.000 0.952 487 N CB 0.990 39.532 38.487 0.091 0.000 1.093 487 N HN 0.346 nan 8.380 nan 0.000 0.490 488 M N 3.387 123.002 119.600 0.026 0.000 2.159 488 M HA -0.132 4.348 4.480 0.000 0.000 0.263 488 M C 1.605 177.910 176.300 0.008 0.000 1.063 488 M CA 0.967 56.269 55.300 0.003 0.000 1.110 488 M CB -0.618 31.985 32.600 0.005 0.000 1.374 488 M HN 0.523 nan 8.290 nan 0.000 0.411 489 I N 0.844 121.426 120.570 0.020 0.000 2.142 489 I HA -0.262 3.908 4.170 0.000 0.000 0.240 489 I C 1.896 178.021 176.117 0.014 0.000 1.078 489 I CA 1.485 62.795 61.300 0.017 0.000 1.343 489 I CB -1.947 36.067 38.000 0.023 0.000 1.046 489 I HN 0.222 nan 8.210 nan 0.000 0.405 490 D N 0.576 120.988 120.400 0.020 0.000 2.182 490 D HA -0.172 4.468 4.640 0.000 0.000 0.201 490 D C 2.203 178.506 176.300 0.005 0.000 0.986 490 D CA 1.174 55.184 54.000 0.016 0.000 0.847 490 D CB -0.232 40.582 40.800 0.023 0.000 0.942 490 D HN 0.368 nan 8.370 nan 0.000 0.467 491 M N -0.831 118.768 119.600 -0.002 0.000 2.561 491 M HA 0.144 4.624 4.480 0.000 0.000 0.238 491 M C 0.924 177.213 176.300 -0.018 0.000 1.131 491 M CA 0.447 55.737 55.300 -0.017 0.000 1.046 491 M CB 0.551 33.131 32.600 -0.035 0.000 1.532 491 M HN 0.076 nan 8.290 nan 0.000 0.497 492 G N 2.202 110.996 108.800 -0.009 0.000 2.182 492 G HA2 -0.239 3.721 3.960 0.000 0.000 0.248 492 G HA3 -0.239 3.721 3.960 0.000 0.000 0.248 492 G C -0.102 174.791 174.900 -0.012 0.000 1.042 492 G CA -0.239 44.856 45.100 -0.008 0.000 0.775 492 G HN 0.519 nan 8.290 nan 0.000 0.501 493 I N 0.839 121.401 120.570 -0.013 0.000 2.412 493 I HA 0.469 4.639 4.170 0.000 0.000 0.279 493 I C 0.334 176.449 176.117 -0.004 0.000 1.063 493 I CA -0.542 60.748 61.300 -0.015 0.000 1.193 493 I CB 0.705 38.688 38.000 -0.030 0.000 1.370 493 I HN -0.016 nan 8.210 nan 0.000 0.479 494 L N 4.853 126.077 121.223 0.002 0.000 2.362 494 L HA 0.636 4.976 4.340 0.000 0.000 0.271 494 L C -1.014 175.863 176.870 0.012 0.000 1.002 494 L CA -0.862 53.983 54.840 0.009 0.000 0.818 494 L CB 2.242 44.307 42.059 0.010 0.000 1.298 494 L HN 0.349 nan 8.230 nan 0.000 0.420 495 D N 1.664 122.074 120.400 0.017 0.000 2.481 495 D HA 0.410 5.050 4.640 0.000 0.000 0.244 495 D C -2.587 173.728 176.300 0.024 0.000 1.057 495 D CA -1.529 52.483 54.000 0.022 0.000 0.848 495 D CB 2.216 43.030 40.800 0.023 0.000 1.388 495 D HN 0.123 nan 8.370 nan 0.000 0.475 496 P HA 0.094 nan 4.420 nan 0.000 0.271 496 P C 0.778 178.094 177.300 0.027 0.000 1.220 496 P CA -0.061 63.055 63.100 0.027 0.000 0.768 496 P CB 0.600 32.320 31.700 0.034 0.000 0.848 497 T N 2.452 117.019 114.554 0.021 0.000 2.721 497 T HA -0.237 4.113 4.350 0.000 0.000 0.268 497 T C 1.587 176.301 174.700 0.024 0.000 1.038 497 T CA 1.453 63.565 62.100 0.020 0.000 1.145 497 T CB -0.318 68.559 68.868 0.015 0.000 0.858 497 T HN 0.512 nan 8.240 nan 0.000 0.459 498 K N 0.912 121.327 120.400 0.025 0.000 2.097 498 K HA -0.078 4.242 4.320 0.000 0.000 0.206 498 K C 2.439 179.069 176.600 0.050 0.000 1.049 498 K CA 1.308 57.614 56.287 0.031 0.000 0.933 498 K CB -0.313 32.202 32.500 0.025 0.000 0.717 498 K HN 0.338 nan 8.250 nan 0.000 0.442 499 V N 0.110 120.057 119.914 0.054 0.000 2.515 499 V HA -0.148 3.972 4.120 0.000 0.000 0.250 499 V C 1.654 177.784 176.094 0.060 0.000 1.058 499 V CA 2.336 64.676 62.300 0.066 0.000 1.064 499 V CB -0.471 31.393 31.823 0.067 0.000 0.675 499 V HN 0.324 nan 8.190 nan 0.000 0.461 500 T N 0.402 114.983 114.554 0.044 0.000 2.770 500 T HA -0.070 4.280 4.350 0.000 0.000 0.263 500 T C 1.930 176.652 174.700 0.036 0.000 1.039 500 T CA 1.707 63.830 62.100 0.038 0.000 1.142 500 T CB -0.330 68.555 68.868 0.029 0.000 0.868 500 T HN 0.588 nan 8.240 nan 0.000 0.435 501 R N 1.181 121.698 120.500 0.028 0.000 2.097 501 R HA -0.138 4.202 4.340 0.000 0.000 0.236 501 R C 2.550 178.860 176.300 0.017 0.000 1.135 501 R CA 2.061 58.169 56.100 0.013 0.000 0.934 501 R CB -0.588 29.714 30.300 0.003 0.000 0.846 501 R HN 0.238 nan 8.270 nan 0.000 0.431 502 S N 0.540 116.273 115.700 0.056 0.000 2.372 502 S HA -0.233 4.237 4.470 0.000 0.000 0.227 502 S C 2.034 176.758 174.600 0.205 0.000 1.044 502 S CA 1.460 59.741 58.200 0.136 0.000 1.050 502 S CB -0.431 62.904 63.200 0.225 0.000 0.901 502 S HN 0.618 nan 8.310 nan 0.000 0.447 503 A N 1.172 124.078 122.820 0.143 0.000 1.877 503 A HA -0.072 4.248 4.320 0.000 0.000 0.216 503 A C 2.178 179.824 177.584 0.102 0.000 1.186 503 A CA 1.671 53.785 52.037 0.128 0.000 0.620 503 A CB -0.740 18.306 19.000 0.076 0.000 0.822 503 A HN 0.434 nan 8.150 nan 0.000 0.443 504 L N -0.403 120.853 121.223 0.056 0.000 2.056 504 L HA -0.146 4.194 4.340 0.000 0.000 0.207 504 L C 2.442 179.312 176.870 0.001 0.000 1.078 504 L CA 2.217 57.074 54.840 0.027 0.000 0.749 504 L CB -0.640 41.425 42.059 0.012 0.000 0.901 504 L HN 0.495 nan 8.230 nan 0.000 0.433 505 Q N -1.611 118.157 119.800 -0.054 0.000 2.046 505 Q HA -0.203 4.137 4.340 0.000 0.000 0.200 505 Q C 2.178 178.070 176.000 -0.179 0.000 0.975 505 Q CA 1.979 57.685 55.803 -0.162 0.000 0.836 505 Q CB -0.341 28.220 28.738 -0.295 0.000 0.896 505 Q HN 0.521 nan 8.270 nan 0.000 0.428 506 Y N 0.399 120.703 120.300 0.007 0.000 2.181 506 Y HA -0.218 4.332 4.550 0.000 0.000 0.288 506 Y C 2.394 178.297 175.900 0.006 0.000 1.146 506 Y CA 1.041 59.145 58.100 0.006 0.000 1.164 506 Y CB -0.722 37.742 38.460 0.006 0.000 0.982 506 Y HN 0.145 nan 8.280 nan 0.000 0.515 507 A N 0.104 123.012 122.820 0.146 0.000 1.858 507 A HA -0.148 4.172 4.320 0.000 0.000 0.216 507 A C 2.502 180.122 177.584 0.059 0.000 1.190 507 A CA 2.064 54.154 52.037 0.089 0.000 0.617 507 A CB -1.355 17.683 19.000 0.063 0.000 0.827 507 A HN 0.394 nan 8.150 nan 0.000 0.443 508 A N -0.657 122.183 122.820 0.034 0.000 1.908 508 A HA -0.155 4.165 4.320 0.000 0.000 0.218 508 A C 2.524 180.118 177.584 0.016 0.000 1.181 508 A CA 2.438 54.484 52.037 0.014 0.000 0.627 508 A CB -1.034 17.962 19.000 -0.007 0.000 0.818 508 A HN 0.695 nan 8.150 nan 0.000 0.445 509 S N -0.802 114.909 115.700 0.018 0.000 2.368 509 S HA -0.110 4.360 4.470 0.000 0.000 0.225 509 S C 1.822 176.451 174.600 0.049 0.000 1.030 509 S CA 1.707 59.922 58.200 0.025 0.000 0.999 509 S CB -0.408 62.810 63.200 0.030 0.000 0.844 509 S HN 0.287 nan 8.310 nan 0.000 0.459 510 V N 1.699 121.654 119.914 0.069 0.000 2.719 510 V HA 0.108 4.228 4.120 0.000 0.000 0.252 510 V C 2.801 178.918 176.094 0.039 0.000 1.065 510 V CA 1.308 63.643 62.300 0.057 0.000 1.086 510 V CB -0.985 30.876 31.823 0.063 0.000 0.700 510 V HN 0.599 nan 8.190 nan 0.000 0.467 511 A N 0.610 123.452 122.820 0.036 0.000 1.968 511 A HA 0.023 4.343 4.320 0.000 0.000 0.217 511 A C 2.368 179.965 177.584 0.022 0.000 1.169 511 A CA 1.568 53.621 52.037 0.027 0.000 0.638 511 A CB -0.920 18.095 19.000 0.024 0.000 0.812 511 A HN 0.495 nan 8.150 nan 0.000 0.446 512 G N -0.082 108.730 108.800 0.020 0.000 2.408 512 G HA2 -0.133 3.827 3.960 0.000 0.000 0.217 512 G HA3 -0.133 3.827 3.960 0.000 0.000 0.217 512 G C 1.506 176.417 174.900 0.018 0.000 1.150 512 G CA 0.929 46.039 45.100 0.016 0.000 0.776 512 G HN 0.424 nan 8.290 nan 0.000 0.542 513 L N -0.239 120.997 121.223 0.021 0.000 2.083 513 L HA -0.036 4.304 4.340 0.000 0.000 0.209 513 L C 3.032 179.915 176.870 0.021 0.000 1.083 513 L CA 0.984 55.837 54.840 0.021 0.000 0.752 513 L CB -0.256 41.817 42.059 0.025 0.000 0.899 513 L HN 0.256 nan 8.230 nan 0.000 0.433 514 M N -1.104 118.509 119.600 0.022 0.000 2.287 514 M HA -0.084 4.397 4.480 0.000 0.000 0.266 514 M C 2.228 178.540 176.300 0.020 0.000 1.079 514 M CA 1.366 56.679 55.300 0.022 0.000 1.146 514 M CB -0.055 32.559 32.600 0.023 0.000 1.374 514 M HN 0.185 nan 8.290 nan 0.000 0.435 515 I N 0.301 120.882 120.570 0.019 0.000 2.493 515 I HA -0.190 3.980 4.170 0.000 0.000 0.254 515 I C 1.668 177.796 176.117 0.019 0.000 1.160 515 I CA 1.317 62.627 61.300 0.017 0.000 1.445 515 I CB -0.277 37.733 38.000 0.015 0.000 1.086 515 I HN 0.357 nan 8.210 nan 0.000 0.433 516 T N -3.305 111.260 114.554 0.019 0.000 3.214 516 T HA 0.167 4.517 4.350 0.000 0.000 0.264 516 T C 0.495 175.209 174.700 0.023 0.000 1.012 516 T CA -0.318 61.794 62.100 0.020 0.000 0.901 516 T CB -0.386 68.493 68.868 0.018 0.000 1.070 516 T HN -0.094 nan 8.240 nan 0.000 0.561 517 T N 2.459 117.027 114.554 0.023 0.000 2.780 517 T HA 0.290 4.640 4.350 0.000 0.000 0.294 517 T C 0.703 175.420 174.700 0.030 0.000 0.949 517 T CA -0.364 61.749 62.100 0.023 0.000 1.074 517 T CB 1.415 70.295 68.868 0.020 0.000 0.910 517 T HN 0.076 nan 8.240 nan 0.000 0.501 518 E N 0.858 121.081 120.200 0.038 0.000 2.431 518 E HA 0.180 4.530 4.350 0.000 0.000 0.200 518 E C 0.039 176.671 176.600 0.053 0.000 0.995 518 E CA -0.035 56.407 56.400 0.070 0.000 0.915 518 E CB 0.387 30.151 29.700 0.108 0.000 0.930 518 E HN 0.598 nan 8.360 nan 0.000 0.496 519 C N 0.361 119.640 119.300 -0.034 0.000 2.782 519 C HA 0.691 5.151 4.460 0.000 0.000 0.328 519 C C -1.329 173.580 174.990 -0.135 0.000 1.145 519 C CA -0.727 58.164 59.018 -0.212 0.000 1.358 519 C CB 0.146 27.719 27.740 -0.278 0.000 1.841 519 C HN 0.164 nan 8.230 nan 0.000 0.477 520 M N 5.195 124.718 119.600 -0.129 0.000 2.395 520 M HA 0.632 5.112 4.480 0.000 0.000 0.307 520 M C -1.105 175.248 176.300 0.089 0.000 1.091 520 M CA -0.626 54.702 55.300 0.047 0.000 0.919 520 M CB 2.159 34.907 32.600 0.246 0.000 1.662 520 M HN 0.376 nan 8.290 nan 0.000 0.440 521 V N 1.098 121.020 119.914 0.013 0.000 2.531 521 V HA 0.769 4.889 4.120 0.000 0.000 0.301 521 V C -0.358 175.653 176.094 -0.138 0.000 1.034 521 V CA -0.427 61.855 62.300 -0.029 0.000 0.865 521 V CB 1.899 33.696 31.823 -0.044 0.000 0.995 521 V HN 0.964 nan 8.190 nan 0.000 0.424 522 T N 1.701 116.124 114.554 -0.219 0.000 2.816 522 T HA 0.395 4.745 4.350 0.000 0.000 0.299 522 T C -1.413 173.170 174.700 -0.195 0.000 1.230 522 T CA -0.566 61.355 62.100 -0.299 0.000 1.007 522 T CB 1.876 70.377 68.868 -0.612 0.000 1.289 522 T HN 0.642 nan 8.240 nan 0.000 0.508 523 D N 2.051 122.356 120.400 -0.159 0.000 2.455 523 D HA 0.239 4.879 4.640 0.000 0.000 0.241 523 D C 0.105 176.352 176.300 -0.088 0.000 1.138 523 D CA -0.047 53.895 54.000 -0.097 0.000 0.877 523 D CB 0.324 41.077 40.800 -0.078 0.000 1.187 523 D HN 0.246 nan 8.370 nan 0.000 0.451 524 L N 4.527 125.728 121.223 -0.036 0.000 2.525 524 L HA 0.128 4.468 4.340 0.000 0.000 0.278 524 L C -1.852 175.009 176.870 -0.015 0.000 1.218 524 L CA -1.202 53.635 54.840 -0.006 0.000 0.878 524 L CB -0.264 41.801 42.059 0.010 0.000 1.127 524 L HN 0.289 nan 8.230 nan 0.000 0.492 525 P HA 0.185 nan 4.420 nan 0.000 0.267 525 P C -0.725 176.574 177.300 -0.001 0.000 1.328 525 P CA 0.206 63.303 63.100 -0.006 0.000 0.990 525 P CB 0.276 31.983 31.700 0.011 0.000 1.168 526 K N 0.000 120.396 120.400 -0.007 0.000 2.780 526 K HA 0.000 4.320 4.320 0.000 0.000 0.191 526 K CA 0.000 56.285 56.287 -0.003 0.000 0.838 526 K CB 0.000 32.501 32.500 0.001 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543