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 1pcq_1_B DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.574 177.584 -0.017 0.000 1.274 2 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 2 A CB 0.000 18.985 19.000 -0.026 0.000 0.831 3 A N 1.984 124.796 122.820 -0.013 0.000 2.565 3 A HA 0.483 4.803 4.320 -0.000 0.000 0.237 3 A C 0.257 177.830 177.584 -0.019 0.000 1.053 3 A CA 0.517 52.549 52.037 -0.009 0.000 0.755 3 A CB -0.135 18.863 19.000 -0.004 0.000 0.980 3 A HN 0.604 nan 8.150 nan 0.000 0.506 4 K N 1.786 122.178 120.400 -0.014 0.000 2.156 4 K HA 0.401 4.721 4.320 -0.000 0.000 0.250 4 K C -0.947 175.648 176.600 -0.009 0.000 0.955 4 K CA -0.734 55.537 56.287 -0.027 0.000 0.855 4 K CB 1.487 33.973 32.500 -0.023 0.000 1.101 4 K HN 0.736 nan 8.250 nan 0.000 0.434 5 D N 1.434 121.820 120.400 -0.023 0.000 2.168 5 D HA 0.312 4.952 4.640 -0.000 0.000 0.246 5 D C -1.148 175.226 176.300 0.123 0.000 1.050 5 D CA -0.506 53.529 54.000 0.057 0.000 0.857 5 D CB 1.359 42.185 40.800 0.045 0.000 1.169 5 D HN 0.244 nan 8.370 nan 0.000 0.453 6 V N 1.008 120.989 119.914 0.111 0.000 2.588 6 V HA 0.661 4.781 4.120 -0.000 0.000 0.304 6 V C -0.942 175.058 176.094 -0.156 0.000 1.042 6 V CA -0.654 61.631 62.300 -0.025 0.000 0.877 6 V CB 1.779 33.505 31.823 -0.162 0.000 0.996 6 V HN 0.395 nan 8.190 nan 0.000 0.425 7 K N 4.343 124.541 120.400 -0.338 0.000 2.318 7 K HA 0.673 4.993 4.320 -0.000 0.000 0.249 7 K C -1.727 174.522 176.600 -0.585 0.000 0.942 7 K CA -0.479 55.537 56.287 -0.451 0.000 0.808 7 K CB 2.518 34.597 32.500 -0.702 0.000 1.189 7 K HN 0.723 nan 8.250 nan 0.000 0.428 8 F N 0.250 120.141 119.950 -0.097 0.000 2.480 8 F HA 0.380 4.907 4.527 -0.000 0.000 0.329 8 F C 1.222 176.980 175.800 -0.070 0.000 1.091 8 F CA 0.298 58.261 58.000 -0.062 0.000 0.972 8 F CB 1.888 40.867 39.000 -0.036 0.000 1.150 8 F HN 0.867 nan 8.300 nan 0.000 0.467 9 G N 2.602 111.497 108.800 0.158 0.000 2.591 9 G HA2 -0.493 3.467 3.960 -0.000 0.000 0.298 9 G HA3 -0.493 3.467 3.960 -0.000 0.000 0.298 9 G C 0.964 175.878 174.900 0.023 0.000 1.195 9 G CA 0.951 46.102 45.100 0.086 0.000 0.989 9 G HN 0.796 nan 8.290 nan 0.000 0.551 10 N N 0.886 119.594 118.700 0.014 0.000 2.120 10 N HA -0.067 4.673 4.740 -0.000 0.000 0.188 10 N C 1.755 177.242 175.510 -0.037 0.000 1.024 10 N CA 2.489 55.533 53.050 -0.009 0.000 0.852 10 N CB -0.326 38.158 38.487 -0.006 0.000 1.003 10 N HN 0.534 nan 8.380 nan 0.000 0.424 11 D N 0.143 120.513 120.400 -0.049 0.000 2.103 11 D HA -0.151 4.489 4.640 -0.000 0.000 0.190 11 D C 1.922 178.114 176.300 -0.181 0.000 0.997 11 D CA 1.740 55.677 54.000 -0.105 0.000 0.833 11 D CB -0.885 39.848 40.800 -0.112 0.000 0.961 11 D HN 0.433 nan 8.370 nan 0.000 0.447 12 A N 0.695 123.390 122.820 -0.208 0.000 1.927 12 A HA -0.277 4.043 4.320 -0.000 0.000 0.220 12 A C 2.188 179.681 177.584 -0.152 0.000 1.185 12 A CA 1.934 53.807 52.037 -0.273 0.000 0.639 12 A CB -0.538 18.342 19.000 -0.201 0.000 0.820 12 A HN 0.140 nan 8.150 nan 0.000 0.451 13 R N -1.079 119.371 120.500 -0.083 0.000 2.062 13 R HA -0.027 4.313 4.340 -0.000 0.000 0.229 13 R C 2.138 178.418 176.300 -0.035 0.000 1.128 13 R CA 1.273 57.348 56.100 -0.041 0.000 0.960 13 R CB -0.559 29.729 30.300 -0.020 0.000 0.855 13 R HN 0.389 nan 8.270 nan 0.000 0.432 14 V N 2.141 122.029 119.914 -0.042 0.000 2.252 14 V HA -0.333 3.787 4.120 -0.000 0.000 0.249 14 V C 2.271 178.349 176.094 -0.027 0.000 1.056 14 V CA 1.800 64.081 62.300 -0.030 0.000 1.022 14 V CB -0.439 31.364 31.823 -0.033 0.000 0.641 14 V HN 0.293 nan 8.190 nan 0.000 0.445 15 K N -0.459 119.909 120.400 -0.052 0.000 2.009 15 K HA -0.211 4.109 4.320 -0.000 0.000 0.210 15 K C 2.146 178.760 176.600 0.022 0.000 1.049 15 K CA 1.940 58.218 56.287 -0.016 0.000 0.929 15 K CB -0.765 31.707 32.500 -0.047 0.000 0.714 15 K HN 0.432 nan 8.250 nan 0.000 0.440 16 M N 0.748 120.356 119.600 0.013 0.000 2.195 16 M HA -0.208 4.272 4.480 -0.000 0.000 0.260 16 M C 2.093 178.408 176.300 0.025 0.000 1.066 16 M CA 1.338 56.658 55.300 0.034 0.000 1.089 16 M CB -0.046 32.567 32.600 0.023 0.000 1.377 16 M HN 0.107 nan 8.290 nan 0.000 0.411 17 L N 0.197 121.428 121.223 0.013 0.000 2.049 17 L HA -0.097 4.243 4.340 -0.000 0.000 0.203 17 L C 2.257 179.136 176.870 0.015 0.000 1.074 17 L CA 1.704 56.551 54.840 0.012 0.000 0.749 17 L CB -0.697 41.365 42.059 0.006 0.000 0.907 17 L HN 0.185 nan 8.230 nan 0.000 0.439 18 R N -0.233 120.276 120.500 0.014 0.000 2.153 18 R HA -0.207 4.133 4.340 -0.000 0.000 0.252 18 R C 2.113 178.426 176.300 0.022 0.000 1.158 18 R CA 1.383 57.493 56.100 0.017 0.000 0.975 18 R CB -1.147 29.164 30.300 0.019 0.000 0.871 18 R HN 0.637 nan 8.270 nan 0.000 0.450 19 G N 0.567 109.385 108.800 0.029 0.000 2.511 19 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.216 19 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.216 19 G C 1.487 176.400 174.900 0.021 0.000 1.218 19 G CA 1.089 46.207 45.100 0.030 0.000 0.788 19 G HN 0.154 nan 8.290 nan 0.000 0.560 20 V N 1.631 121.557 119.914 0.021 0.000 2.250 20 V HA -0.355 3.765 4.120 -0.000 0.000 0.250 20 V C 2.522 178.625 176.094 0.015 0.000 1.060 20 V CA 2.445 64.755 62.300 0.017 0.000 1.030 20 V CB -1.074 30.759 31.823 0.017 0.000 0.643 20 V HN 0.487 nan 8.190 nan 0.000 0.445 21 N N -0.147 118.562 118.700 0.014 0.000 2.036 21 N HA -0.195 4.545 4.740 -0.000 0.000 0.195 21 N C 1.760 177.276 175.510 0.011 0.000 1.037 21 N CA 1.630 54.687 53.050 0.011 0.000 0.855 21 N CB -0.356 38.137 38.487 0.010 0.000 1.033 21 N HN 0.325 nan 8.380 nan 0.000 0.423 22 V N 1.711 121.632 119.914 0.011 0.000 2.252 22 V HA -0.231 3.889 4.120 -0.000 0.000 0.249 22 V C 2.242 178.341 176.094 0.008 0.000 1.056 22 V CA 1.431 63.736 62.300 0.010 0.000 1.022 22 V CB -0.696 31.134 31.823 0.011 0.000 0.641 22 V HN 0.381 nan 8.190 nan 0.000 0.445 23 L N 0.924 122.152 121.223 0.010 0.000 1.976 23 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 23 L C 2.563 179.439 176.870 0.009 0.000 1.071 23 L CA 2.840 57.685 54.840 0.008 0.000 0.746 23 L CB -1.782 40.282 42.059 0.009 0.000 0.890 23 L HN 0.295 nan 8.230 nan 0.000 0.432 24 A N 0.012 122.838 122.820 0.010 0.000 1.884 24 A HA -0.296 4.024 4.320 -0.000 0.000 0.219 24 A C 1.932 179.522 177.584 0.009 0.000 1.197 24 A CA 2.255 54.299 52.037 0.011 0.000 0.637 24 A CB -1.105 17.902 19.000 0.012 0.000 0.827 24 A HN 0.608 nan 8.150 nan 0.000 0.450 25 D N -0.109 120.296 120.400 0.008 0.000 2.149 25 D HA -0.072 4.568 4.640 -0.000 0.000 0.198 25 D C 2.101 178.404 176.300 0.005 0.000 0.990 25 D CA 1.580 55.584 54.000 0.006 0.000 0.839 25 D CB -0.484 40.319 40.800 0.006 0.000 0.948 25 D HN 0.492 nan 8.370 nan 0.000 0.460 26 A N 0.276 123.098 122.820 0.005 0.000 1.968 26 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 26 A C 2.427 180.013 177.584 0.003 0.000 1.169 26 A CA 0.817 52.855 52.037 0.003 0.000 0.638 26 A CB -0.304 18.697 19.000 0.002 0.000 0.812 26 A HN 0.160 nan 8.150 nan 0.000 0.446 27 V N -0.236 119.681 119.914 0.005 0.000 2.446 27 V HA -0.151 3.969 4.120 -0.000 0.000 0.244 27 V C 2.271 178.369 176.094 0.006 0.000 1.039 27 V CA 1.786 64.089 62.300 0.005 0.000 1.045 27 V CB -0.555 31.272 31.823 0.007 0.000 0.681 27 V HN 0.485 nan 8.190 nan 0.000 0.459 28 K N 0.586 120.991 120.400 0.007 0.000 2.127 28 K HA -0.214 4.106 4.320 -0.000 0.000 0.208 28 K C 1.981 178.585 176.600 0.007 0.000 1.047 28 K CA 1.927 58.219 56.287 0.008 0.000 0.927 28 K CB -0.489 32.016 32.500 0.008 0.000 0.716 28 K HN 0.583 nan 8.250 nan 0.000 0.450 29 V N -0.945 118.972 119.914 0.005 0.000 3.078 29 V HA -0.124 3.996 4.120 -0.000 0.000 0.265 29 V C 1.795 177.891 176.094 0.004 0.000 1.122 29 V CA 1.954 64.256 62.300 0.004 0.000 1.141 29 V CB -0.960 30.864 31.823 0.002 0.000 0.735 29 V HN 0.355 nan 8.190 nan 0.000 0.498 30 T N -2.499 112.058 114.554 0.004 0.000 3.069 30 T HA 0.326 4.676 4.350 -0.000 0.000 0.252 30 T C 0.434 175.137 174.700 0.005 0.000 1.053 30 T CA -0.152 61.950 62.100 0.003 0.000 0.964 30 T CB -0.024 68.845 68.868 0.002 0.000 1.005 30 T HN 0.373 nan 8.240 nan 0.000 0.532 31 L N 2.670 123.898 121.223 0.007 0.000 2.410 31 L HA 0.583 4.923 4.340 -0.000 0.000 0.273 31 L C 0.655 177.531 176.870 0.010 0.000 1.144 31 L CA 1.518 56.364 54.840 0.010 0.000 0.863 31 L CB -0.390 41.677 42.059 0.013 0.000 1.140 31 L HN 0.662 nan 8.230 nan 0.000 0.463 32 G N 4.369 113.174 108.800 0.009 0.000 2.661 32 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.685 32 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.685 32 G C -2.223 172.678 174.900 0.002 0.000 1.298 32 G CA -0.331 44.774 45.100 0.009 0.000 0.855 32 G HN 0.538 nan 8.290 nan 0.000 0.560 33 P HA -0.014 nan 4.420 nan 0.000 0.218 33 P C 0.982 178.277 177.300 -0.009 0.000 1.149 33 P CA 1.346 64.439 63.100 -0.012 0.000 0.817 33 P CB 0.069 31.754 31.700 -0.026 0.000 0.785 34 K N 0.404 120.802 120.400 -0.002 0.000 2.577 34 K HA 0.243 4.563 4.320 -0.000 0.000 0.210 34 K C 1.062 177.664 176.600 0.003 0.000 1.048 34 K CA -0.272 56.015 56.287 0.000 0.000 1.188 34 K CB 0.096 32.599 32.500 0.005 0.000 0.910 34 K HN 0.066 nan 8.250 nan 0.000 0.483 35 G N 1.385 110.186 108.800 0.002 0.000 2.491 35 G HA2 0.065 4.025 3.960 -0.000 0.000 0.242 35 G HA3 0.065 4.025 3.960 -0.000 0.000 0.242 35 G C -0.049 174.852 174.900 0.000 0.000 1.266 35 G CA -0.332 44.770 45.100 0.002 0.000 0.844 35 G HN 0.223 nan 8.290 nan 0.000 0.571 36 R N 0.736 121.236 120.500 0.000 0.000 2.824 36 R HA 0.361 4.701 4.340 -0.000 0.000 0.238 36 R C -0.414 175.885 176.300 -0.002 0.000 1.236 36 R CA -0.993 55.106 56.100 -0.001 0.000 1.100 36 R CB 0.849 31.148 30.300 -0.001 0.000 1.341 36 R HN 0.462 nan 8.270 nan 0.000 0.519 37 N N -0.270 118.428 118.700 -0.003 0.000 2.472 37 N HA 0.384 5.124 4.740 -0.000 0.000 0.289 37 N C -1.026 174.482 175.510 -0.005 0.000 1.156 37 N CA -0.487 52.560 53.050 -0.004 0.000 0.940 37 N CB 1.904 40.388 38.487 -0.005 0.000 1.200 37 N HN 0.123 nan 8.380 nan 0.000 0.511 38 V N 0.947 120.858 119.914 -0.005 0.000 2.555 38 V HA 0.394 4.514 4.120 -0.000 0.000 0.302 38 V C -0.094 175.995 176.094 -0.009 0.000 1.038 38 V CA -0.863 61.433 62.300 -0.006 0.000 0.887 38 V CB 2.002 33.822 31.823 -0.005 0.000 0.991 38 V HN 0.294 nan 8.190 nan 0.000 0.434 39 V N 5.947 125.854 119.914 -0.013 0.000 2.383 39 V HA 0.444 4.564 4.120 -0.000 0.000 0.275 39 V C -0.226 175.854 176.094 -0.023 0.000 1.036 39 V CA -0.381 61.908 62.300 -0.018 0.000 0.889 39 V CB 1.211 33.021 31.823 -0.021 0.000 0.985 39 V HN 0.624 nan 8.190 nan 0.000 0.459 40 L N 3.926 125.134 121.223 -0.025 0.000 2.295 40 L HA 0.491 4.831 4.340 -0.000 0.000 0.281 40 L C 0.059 176.892 176.870 -0.061 0.000 1.018 40 L CA -0.571 54.251 54.840 -0.031 0.000 0.841 40 L CB 1.321 43.374 42.059 -0.011 0.000 1.218 40 L HN 0.505 nan 8.230 nan 0.000 0.424 41 D N 3.379 123.728 120.400 -0.085 0.000 2.390 41 D HA 0.153 4.793 4.640 -0.000 0.000 0.236 41 D C -0.393 175.749 176.300 -0.263 0.000 1.189 41 D CA 0.582 54.493 54.000 -0.148 0.000 0.887 41 D CB 0.745 41.464 40.800 -0.136 0.000 1.198 41 D HN 0.379 nan 8.370 nan 0.000 0.444 42 K N 0.715 120.845 120.400 -0.450 0.000 2.707 42 K HA 0.114 4.434 4.320 -0.000 0.000 0.283 42 K C 0.811 176.771 176.600 -1.067 0.000 1.105 42 K CA -0.266 55.397 56.287 -1.040 0.000 1.018 42 K CB 0.942 33.094 32.500 -0.580 0.000 1.315 42 K HN 0.338 nan 8.250 nan 0.000 0.495 43 S N 2.619 117.641 115.700 -1.130 0.000 2.377 43 S HA -0.267 4.203 4.470 -0.000 0.000 0.224 43 S C 1.563 176.025 174.600 -0.230 0.000 1.042 43 S CA 1.753 59.686 58.200 -0.445 0.000 1.086 43 S CB -0.777 62.340 63.200 -0.139 0.000 0.995 43 S HN 0.522 nan 8.310 nan 0.000 0.428 44 F N 2.625 122.570 119.950 -0.008 0.000 2.442 44 F HA -0.196 4.331 4.527 -0.000 0.000 0.279 44 F C 1.939 177.735 175.800 -0.007 0.000 1.191 44 F CA 0.745 58.740 58.000 -0.008 0.000 1.443 44 F CB -1.991 37.003 39.000 -0.009 0.000 0.833 44 F HN 0.564 nan 8.300 nan 0.000 0.539 45 G N -1.384 107.487 108.800 0.119 0.000 3.135 45 G HA2 0.666 4.626 3.960 -0.000 0.000 0.159 45 G HA3 0.666 4.626 3.960 -0.000 0.000 0.159 45 G C -0.775 174.110 174.900 -0.024 0.000 1.244 45 G CA -0.318 44.812 45.100 0.051 0.000 0.965 45 G HN 0.659 nan 8.290 nan 0.000 0.599 46 A N 0.053 122.864 122.820 -0.014 0.000 2.332 46 A HA 0.675 4.995 4.320 -0.000 0.000 0.258 46 A C -1.968 175.586 177.584 -0.051 0.000 1.087 46 A CA -0.728 51.289 52.037 -0.033 0.000 0.802 46 A CB -0.273 18.718 19.000 -0.016 0.000 1.042 46 A HN 0.400 nan 8.150 nan 0.000 0.489 47 P HA 0.181 nan 4.420 nan 0.000 0.272 47 P C -0.215 177.065 177.300 -0.034 0.000 1.243 47 P CA 0.221 63.282 63.100 -0.064 0.000 0.803 47 P CB 0.354 32.019 31.700 -0.058 0.000 0.974 48 T N 1.048 115.585 114.554 -0.027 0.000 2.824 48 T HA 0.554 4.904 4.350 -0.000 0.000 0.282 48 T C -0.109 174.584 174.700 -0.011 0.000 0.993 48 T CA -0.274 61.820 62.100 -0.009 0.000 0.967 48 T CB 0.168 69.038 68.868 0.003 0.000 0.960 48 T HN 0.095 nan 8.240 nan 0.000 0.441 49 I N 2.577 123.143 120.570 -0.007 0.000 2.392 49 I HA 0.584 4.754 4.170 -0.000 0.000 0.295 49 I C 0.508 176.623 176.117 -0.004 0.000 0.985 49 I CA -0.174 61.122 61.300 -0.007 0.000 1.221 49 I CB 1.909 39.904 38.000 -0.008 0.000 1.366 49 I HN 0.455 nan 8.210 nan 0.000 0.467 50 T N 4.151 118.703 114.554 -0.004 0.000 3.012 50 T HA 0.258 4.608 4.350 -0.000 0.000 0.330 50 T C 0.113 174.810 174.700 -0.004 0.000 1.321 50 T CA -0.632 61.466 62.100 -0.003 0.000 1.067 50 T CB 1.386 70.253 68.868 -0.002 0.000 1.235 50 T HN 0.716 nan 8.240 nan 0.000 0.479 51 K N 1.775 122.173 120.400 -0.004 0.000 2.361 51 K HA 0.166 4.486 4.320 -0.000 0.000 0.194 51 K C 0.065 176.663 176.600 -0.004 0.000 1.032 51 K CA -0.014 56.271 56.287 -0.004 0.000 1.048 51 K CB 0.283 32.780 32.500 -0.004 0.000 0.842 51 K HN 0.502 nan 8.250 nan 0.000 0.526 52 D N -0.036 120.359 120.400 -0.007 0.000 2.344 52 D HA 0.065 4.705 4.640 -0.000 0.000 0.253 52 D C 1.140 177.435 176.300 -0.008 0.000 1.255 52 D CA 0.103 54.097 54.000 -0.011 0.000 0.894 52 D CB 1.111 41.901 40.800 -0.017 0.000 1.067 52 D HN 0.248 nan 8.370 nan 0.000 0.492 53 G N 2.830 111.627 108.800 -0.006 0.000 2.513 53 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.219 53 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.219 53 G C 1.522 176.420 174.900 -0.003 0.000 1.160 53 G CA 0.907 46.006 45.100 -0.001 0.000 0.767 53 G HN 0.508 nan 8.290 nan 0.000 0.571 54 V N 0.364 120.273 119.914 -0.008 0.000 2.515 54 V HA -0.117 4.003 4.120 -0.000 0.000 0.250 54 V C 2.899 178.988 176.094 -0.008 0.000 1.058 54 V CA 2.755 65.049 62.300 -0.011 0.000 1.064 54 V CB -0.316 31.494 31.823 -0.020 0.000 0.675 54 V HN 0.344 nan 8.190 nan 0.000 0.461 55 S N -0.337 115.359 115.700 -0.007 0.000 2.368 55 S HA -0.151 4.319 4.470 -0.000 0.000 0.225 55 S C 1.871 176.473 174.600 0.004 0.000 1.030 55 S CA 1.593 59.793 58.200 -0.001 0.000 0.999 55 S CB -0.157 63.043 63.200 -0.001 0.000 0.844 55 S HN 0.509 nan 8.310 nan 0.000 0.459 56 V N 2.084 121.999 119.914 0.002 0.000 2.287 56 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 56 V C 2.635 178.731 176.094 0.004 0.000 1.053 56 V CA 1.782 64.084 62.300 0.003 0.000 1.027 56 V CB -1.259 30.564 31.823 0.001 0.000 0.646 56 V HN 0.536 nan 8.190 nan 0.000 0.447 57 A N 0.182 123.003 122.820 0.002 0.000 1.865 57 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 57 A C 2.304 179.889 177.584 0.002 0.000 1.191 57 A CA 1.868 53.906 52.037 0.001 0.000 0.623 57 A CB -0.601 18.398 19.000 -0.001 0.000 0.826 57 A HN 0.503 nan 8.150 nan 0.000 0.444 58 R N -0.318 120.183 120.500 0.002 0.000 2.316 58 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 58 R C 1.168 177.476 176.300 0.013 0.000 1.137 58 R CA 1.212 57.314 56.100 0.004 0.000 1.012 58 R CB -0.169 30.133 30.300 0.004 0.000 0.859 58 R HN 0.580 nan 8.270 nan 0.000 0.474 59 E N 0.101 120.310 120.200 0.015 0.000 2.415 59 E HA 0.080 4.430 4.350 -0.000 0.000 0.197 59 E C 0.495 177.104 176.600 0.014 0.000 1.007 59 E CA 0.087 56.500 56.400 0.022 0.000 0.890 59 E CB 0.442 30.154 29.700 0.021 0.000 0.891 59 E HN 0.138 nan 8.360 nan 0.000 0.496 60 I N 2.168 122.743 120.570 0.009 0.000 2.471 60 I HA 0.144 4.314 4.170 -0.000 0.000 0.286 60 I C 0.346 176.467 176.117 0.006 0.000 1.079 60 I CA 0.322 61.626 61.300 0.006 0.000 1.398 60 I CB 0.340 38.343 38.000 0.005 0.000 1.403 60 I HN -0.032 nan 8.210 nan 0.000 0.530 61 E N 6.215 126.418 120.200 0.005 0.000 2.291 61 E HA 0.442 4.792 4.350 -0.000 0.000 0.276 61 E C -1.793 174.807 176.600 0.001 0.000 0.896 61 E CA -0.661 55.740 56.400 0.002 0.000 0.774 61 E CB 1.904 31.606 29.700 0.002 0.000 1.227 61 E HN 0.246 nan 8.360 nan 0.000 0.413 62 L N 2.984 124.206 121.223 -0.001 0.000 2.331 62 L HA 0.367 4.707 4.340 -0.000 0.000 0.268 62 L C 1.378 178.245 176.870 -0.005 0.000 1.015 62 L CA 0.047 54.888 54.840 0.001 0.000 0.807 62 L CB 1.162 43.226 42.059 0.009 0.000 1.293 62 L HN 0.823 nan 8.230 nan 0.000 0.451 63 E N -0.271 119.928 120.200 -0.002 0.000 2.075 63 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 63 E C -0.036 176.556 176.600 -0.013 0.000 0.969 63 E CA 0.029 56.424 56.400 -0.008 0.000 0.815 63 E CB 0.318 30.016 29.700 -0.003 0.000 0.776 63 E HN 0.663 nan 8.360 nan 0.000 0.457 64 D N 1.398 121.802 120.400 0.006 0.000 2.451 64 D HA -0.083 4.557 4.640 -0.000 0.000 0.254 64 D C 0.746 177.041 176.300 -0.008 0.000 1.204 64 D CA 0.232 54.245 54.000 0.021 0.000 0.896 64 D CB 0.890 41.729 40.800 0.065 0.000 1.136 64 D HN -0.022 nan 8.370 nan 0.000 0.499 65 K N 3.435 123.776 120.400 -0.098 0.000 2.209 65 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 65 K C 1.660 178.124 176.600 -0.227 0.000 1.048 65 K CA 0.892 57.049 56.287 -0.216 0.000 0.940 65 K CB -0.091 32.190 32.500 -0.366 0.000 0.729 65 K HN 0.485 nan 8.250 nan 0.000 0.451 66 F N 1.416 121.354 119.950 -0.021 0.000 2.179 66 F HA -0.015 4.512 4.527 -0.000 0.000 0.292 66 F C 2.334 178.123 175.800 -0.018 0.000 1.089 66 F CA 0.830 58.816 58.000 -0.025 0.000 1.295 66 F CB -0.450 38.534 39.000 -0.028 0.000 1.041 66 F HN 0.041 nan 8.300 nan 0.000 0.487 67 E N 0.124 120.434 120.200 0.184 0.000 2.058 67 E HA -0.288 4.062 4.350 -0.000 0.000 0.194 67 E C 1.878 178.512 176.600 0.057 0.000 0.997 67 E CA 1.436 57.893 56.400 0.096 0.000 0.801 67 E CB -0.418 29.324 29.700 0.071 0.000 0.746 67 E HN 0.271 nan 8.360 nan 0.000 0.450 68 N N 0.712 119.431 118.700 0.032 0.000 2.060 68 N HA -0.218 4.522 4.740 -0.000 0.000 0.195 68 N C 1.736 177.253 175.510 0.011 0.000 1.028 68 N CA 1.602 54.656 53.050 0.007 0.000 0.861 68 N CB -0.096 38.378 38.487 -0.021 0.000 1.029 68 N HN 0.096 nan 8.380 nan 0.000 0.428 69 M N -0.697 118.915 119.600 0.020 0.000 2.117 69 M HA -0.058 4.422 4.480 -0.000 0.000 0.262 69 M C 2.114 178.433 176.300 0.032 0.000 1.065 69 M CA 1.702 57.015 55.300 0.023 0.000 1.114 69 M CB -0.623 32.004 32.600 0.044 0.000 1.361 69 M HN 0.344 nan 8.290 nan 0.000 0.408 70 G N -0.057 108.771 108.800 0.046 0.000 2.586 70 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.218 70 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.218 70 G C 1.545 176.459 174.900 0.024 0.000 1.216 70 G CA 1.318 46.440 45.100 0.036 0.000 0.786 70 G HN 0.572 nan 8.290 nan 0.000 0.583 71 A N -0.497 122.336 122.820 0.021 0.000 1.908 71 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 71 A C 2.368 179.957 177.584 0.008 0.000 1.181 71 A CA 2.104 54.150 52.037 0.014 0.000 0.627 71 A CB -0.403 18.605 19.000 0.012 0.000 0.818 71 A HN 0.353 nan 8.150 nan 0.000 0.445 72 Q N -1.130 118.673 119.800 0.006 0.000 2.364 72 Q HA -0.022 4.318 4.340 -0.000 0.000 0.207 72 Q C 1.965 177.965 176.000 -0.000 0.000 0.970 72 Q CA 1.113 56.916 55.803 -0.000 0.000 0.888 72 Q CB -0.257 28.478 28.738 -0.005 0.000 0.951 72 Q HN 0.795 nan 8.270 nan 0.000 0.469 73 M N -0.681 118.922 119.600 0.006 0.000 2.276 73 M HA -0.098 4.382 4.480 -0.000 0.000 0.262 73 M C 2.135 178.439 176.300 0.007 0.000 1.098 73 M CA 0.814 56.117 55.300 0.006 0.000 1.167 73 M CB 0.036 32.643 32.600 0.013 0.000 1.337 73 M HN 0.007 nan 8.290 nan 0.000 0.446 74 V N -0.347 119.574 119.914 0.011 0.000 2.568 74 V HA -0.263 3.857 4.120 -0.000 0.000 0.253 74 V C 2.070 178.167 176.094 0.006 0.000 1.072 74 V CA 1.915 64.223 62.300 0.013 0.000 1.084 74 V CB -1.451 30.381 31.823 0.016 0.000 0.676 74 V HN 0.518 nan 8.190 nan 0.000 0.469 75 K N 0.726 121.126 120.400 0.001 0.000 2.286 75 K HA -0.280 4.040 4.320 -0.000 0.000 0.203 75 K C 2.135 178.725 176.600 -0.018 0.000 1.045 75 K CA 1.987 58.270 56.287 -0.006 0.000 0.935 75 K CB -0.144 32.352 32.500 -0.006 0.000 0.737 75 K HN 0.695 nan 8.250 nan 0.000 0.460 76 E N 0.339 120.527 120.200 -0.021 0.000 2.299 76 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 76 E C 1.867 178.429 176.600 -0.063 0.000 0.998 76 E CA 0.608 56.982 56.400 -0.044 0.000 0.851 76 E CB 0.221 29.897 29.700 -0.039 0.000 0.795 76 E HN 0.300 nan 8.360 nan 0.000 0.492 77 V N 0.199 120.100 119.914 -0.022 0.000 2.270 77 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 77 V C 2.243 178.328 176.094 -0.015 0.000 1.043 77 V CA 2.055 64.356 62.300 0.002 0.000 1.014 77 V CB -0.623 31.236 31.823 0.061 0.000 0.645 77 V HN 0.261 nan 8.190 nan 0.000 0.447 78 A N -0.236 122.582 122.820 -0.004 0.000 1.978 78 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 78 A C 2.598 180.163 177.584 -0.031 0.000 1.170 78 A CA 2.573 54.609 52.037 -0.003 0.000 0.636 78 A CB -1.122 17.878 19.000 0.000 0.000 0.810 78 A HN 0.750 nan 8.150 nan 0.000 0.448 79 S N -1.153 114.515 115.700 -0.054 0.000 2.371 79 S HA -0.114 4.356 4.470 -0.000 0.000 0.224 79 S C 2.200 176.728 174.600 -0.119 0.000 1.029 79 S CA 1.434 59.592 58.200 -0.070 0.000 0.978 79 S CB -0.247 62.914 63.200 -0.064 0.000 0.833 79 S HN 0.434 nan 8.310 nan 0.000 0.466 80 K N 1.345 121.616 120.400 -0.215 0.000 2.025 80 K HA 0.112 4.432 4.320 -0.000 0.000 0.207 80 K C 2.347 178.713 176.600 -0.390 0.000 1.049 80 K CA 1.185 57.216 56.287 -0.427 0.000 0.933 80 K CB -1.057 30.966 32.500 -0.794 0.000 0.714 80 K HN 0.381 nan 8.250 nan 0.000 0.438 81 A N 2.244 124.951 122.820 -0.189 0.000 1.896 81 A HA -0.294 4.026 4.320 -0.000 0.000 0.220 81 A C 2.087 179.712 177.584 0.069 0.000 1.206 81 A CA 2.324 54.439 52.037 0.130 0.000 0.647 81 A CB -1.019 18.072 19.000 0.151 0.000 0.828 81 A HN 0.556 nan 8.150 nan 0.000 0.455 82 N N -0.456 118.245 118.700 0.002 0.000 2.104 82 N HA -0.188 4.551 4.740 -0.000 0.000 0.190 82 N C 0.963 176.479 175.510 0.011 0.000 1.024 82 N CA 1.734 54.780 53.050 -0.008 0.000 0.853 82 N CB -0.283 38.184 38.487 -0.033 0.000 1.008 82 N HN 0.533 nan 8.380 nan 0.000 0.424 83 D N 0.167 120.562 120.400 -0.008 0.000 2.224 83 D HA -0.051 4.589 4.640 -0.000 0.000 0.205 83 D C 1.575 177.914 176.300 0.066 0.000 0.965 83 D CA 0.693 54.703 54.000 0.017 0.000 0.852 83 D CB 0.066 40.852 40.800 -0.023 0.000 0.947 83 D HN 0.393 nan 8.370 nan 0.000 0.494 84 A N 1.150 124.025 122.820 0.091 0.000 1.884 84 A HA 0.362 4.682 4.320 -0.000 0.000 0.212 84 A C 2.215 179.889 177.584 0.150 0.000 1.265 84 A CA 1.137 53.262 52.037 0.147 0.000 0.626 84 A CB -0.563 18.600 19.000 0.272 0.000 0.943 84 A HN 0.185 nan 8.150 nan 0.000 0.466 85 A N -1.894 121.022 122.820 0.161 0.000 1.831 85 A HA 0.382 4.702 4.320 -0.000 0.000 0.213 85 A C 2.064 179.752 177.584 0.172 0.000 1.223 85 A CA 2.181 54.303 52.037 0.140 0.000 0.604 85 A CB -0.979 18.095 19.000 0.122 0.000 0.878 85 A HN 1.935 nan 8.150 nan 0.000 0.450 86 G N -2.131 106.739 108.800 0.116 0.000 2.211 86 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.201 86 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.201 86 G C -0.184 174.688 174.900 -0.047 0.000 0.997 86 G CA 0.576 45.681 45.100 0.009 0.000 0.652 86 G HN 0.816 nan 8.290 nan 0.000 0.500 87 D N -1.995 118.418 120.400 0.022 0.000 2.677 87 D HA 0.563 5.203 4.640 -0.000 0.000 0.298 87 D C 1.094 177.414 176.300 0.033 0.000 1.250 87 D CA 0.969 54.978 54.000 0.014 0.000 0.888 87 D CB 0.746 41.563 40.800 0.028 0.000 1.397 87 D HN 1.335 nan 8.370 nan 0.000 0.461 88 G N -0.281 108.536 108.800 0.028 0.000 2.159 88 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.256 88 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.256 88 G C 0.995 175.920 174.900 0.042 0.000 0.977 88 G CA 1.725 46.847 45.100 0.037 0.000 0.652 88 G HN 0.792 nan 8.290 nan 0.000 0.531 89 T N -2.449 112.124 114.554 0.031 0.000 2.788 89 T HA -0.092 4.258 4.350 -0.000 0.000 0.268 89 T C 2.215 176.930 174.700 0.025 0.000 1.044 89 T CA 2.485 64.602 62.100 0.029 0.000 1.139 89 T CB -0.592 68.281 68.868 0.009 0.000 0.867 89 T HN 0.341 nan 8.240 nan 0.000 0.454 90 T N 1.813 116.378 114.554 0.019 0.000 2.737 90 T HA -0.079 4.271 4.350 -0.000 0.000 0.265 90 T C 2.255 176.969 174.700 0.023 0.000 1.038 90 T CA 1.741 63.852 62.100 0.018 0.000 1.144 90 T CB -0.948 67.927 68.868 0.013 0.000 0.866 90 T HN 0.474 nan 8.240 nan 0.000 0.434 91 T N 2.145 116.715 114.554 0.026 0.000 2.580 91 T HA -0.130 4.220 4.350 -0.000 0.000 0.265 91 T C 2.371 177.091 174.700 0.035 0.000 1.063 91 T CA 1.489 63.606 62.100 0.028 0.000 1.170 91 T CB -0.815 68.070 68.868 0.028 0.000 0.863 91 T HN 0.430 nan 8.240 nan 0.000 0.418 92 A N 1.207 124.056 122.820 0.047 0.000 1.894 92 A HA -0.282 4.038 4.320 -0.000 0.000 0.220 92 A C 2.538 180.152 177.584 0.051 0.000 1.237 92 A CA 2.863 54.938 52.037 0.064 0.000 0.660 92 A CB -1.601 17.458 19.000 0.099 0.000 0.835 92 A HN 0.536 nan 8.150 nan 0.000 0.461 93 T N -0.508 114.069 114.554 0.039 0.000 2.720 93 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 93 T C 1.832 176.548 174.700 0.026 0.000 1.037 93 T CA 1.655 63.773 62.100 0.030 0.000 1.144 93 T CB -0.469 68.412 68.868 0.021 0.000 0.864 93 T HN 0.223 nan 8.240 nan 0.000 0.444 94 V N 1.104 121.032 119.914 0.024 0.000 2.626 94 V HA -0.049 4.071 4.120 -0.000 0.000 0.252 94 V C 2.364 178.471 176.094 0.021 0.000 1.067 94 V CA 1.185 63.497 62.300 0.020 0.000 1.081 94 V CB -0.669 31.165 31.823 0.018 0.000 0.686 94 V HN 0.410 nan 8.190 nan 0.000 0.468 95 L N 0.105 121.343 121.223 0.025 0.000 2.023 95 L HA -0.058 4.282 4.340 -0.000 0.000 0.205 95 L C 2.789 179.675 176.870 0.025 0.000 1.073 95 L CA 1.473 56.328 54.840 0.024 0.000 0.745 95 L CB -0.763 41.312 42.059 0.026 0.000 0.900 95 L HN 0.321 nan 8.230 nan 0.000 0.435 96 A N 0.398 123.237 122.820 0.032 0.000 1.917 96 A HA -0.319 4.001 4.320 -0.000 0.000 0.219 96 A C 2.180 179.778 177.584 0.025 0.000 1.182 96 A CA 2.164 54.220 52.037 0.032 0.000 0.633 96 A CB -0.750 18.274 19.000 0.039 0.000 0.819 96 A HN 0.595 nan 8.150 nan 0.000 0.448 97 Q N -0.375 119.438 119.800 0.022 0.000 2.291 97 Q HA 0.089 4.429 4.340 -0.000 0.000 0.206 97 Q C 1.713 177.722 176.000 0.015 0.000 0.976 97 Q CA 1.941 57.754 55.803 0.018 0.000 0.875 97 Q CB -0.401 28.347 28.738 0.016 0.000 0.927 97 Q HN 0.509 nan 8.270 nan 0.000 0.450 98 A N 0.731 123.561 122.820 0.016 0.000 1.887 98 A HA 0.076 4.396 4.320 -0.000 0.000 0.212 98 A C 2.072 179.664 177.584 0.013 0.000 1.198 98 A CA 0.869 52.914 52.037 0.013 0.000 0.628 98 A CB -0.446 18.562 19.000 0.013 0.000 0.847 98 A HN 0.412 nan 8.150 nan 0.000 0.449 99 I N 0.008 120.587 120.570 0.015 0.000 2.208 99 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 99 I C 2.296 178.422 176.117 0.014 0.000 1.097 99 I CA 1.414 62.723 61.300 0.015 0.000 1.363 99 I CB -0.416 37.594 38.000 0.018 0.000 1.051 99 I HN 0.292 nan 8.210 nan 0.000 0.413 100 I N 0.409 120.988 120.570 0.016 0.000 2.142 100 I HA -0.292 3.878 4.170 -0.000 0.000 0.240 100 I C 2.596 178.720 176.117 0.012 0.000 1.078 100 I CA 1.771 63.080 61.300 0.015 0.000 1.343 100 I CB -0.645 37.365 38.000 0.016 0.000 1.046 100 I HN 0.237 nan 8.210 nan 0.000 0.405 101 T N -0.050 114.511 114.554 0.011 0.000 2.720 101 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 101 T C 1.840 176.544 174.700 0.007 0.000 1.037 101 T CA 1.306 63.411 62.100 0.008 0.000 1.144 101 T CB -0.173 68.700 68.868 0.008 0.000 0.864 101 T HN 0.262 nan 8.240 nan 0.000 0.444 102 E N 0.576 120.781 120.200 0.008 0.000 2.076 102 E HA 0.066 4.416 4.350 -0.000 0.000 0.190 102 E C 2.545 179.149 176.600 0.007 0.000 0.979 102 E CA 0.916 57.321 56.400 0.007 0.000 0.807 102 E CB -0.971 28.734 29.700 0.007 0.000 0.761 102 E HN 0.506 nan 8.360 nan 0.000 0.454 103 G N 1.987 110.793 108.800 0.009 0.000 2.628 103 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 103 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 103 G C 1.694 176.599 174.900 0.008 0.000 1.240 103 G CA 1.274 46.379 45.100 0.009 0.000 0.792 103 G HN 0.247 nan 8.290 nan 0.000 0.593 104 L N 0.233 121.461 121.223 0.008 0.000 2.129 104 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 104 L C 2.830 179.703 176.870 0.005 0.000 1.087 104 L CA 1.539 56.383 54.840 0.006 0.000 0.757 104 L CB -0.384 41.678 42.059 0.005 0.000 0.896 104 L HN 0.237 nan 8.230 nan 0.000 0.434 105 K N 0.217 120.620 120.400 0.005 0.000 2.148 105 K HA -0.146 4.173 4.320 -0.000 0.000 0.204 105 K C 2.137 178.740 176.600 0.004 0.000 1.050 105 K CA 1.181 57.470 56.287 0.004 0.000 0.942 105 K CB 0.016 32.518 32.500 0.004 0.000 0.724 105 K HN 0.319 nan 8.250 nan 0.000 0.446 106 A N 0.381 123.203 122.820 0.005 0.000 1.898 106 A HA -0.050 4.270 4.320 -0.000 0.000 0.214 106 A C 2.135 179.723 177.584 0.005 0.000 1.183 106 A CA 0.884 52.924 52.037 0.005 0.000 0.622 106 A CB -0.387 18.616 19.000 0.006 0.000 0.824 106 A HN 0.115 nan 8.150 nan 0.000 0.444 107 V N 0.094 120.012 119.914 0.006 0.000 2.392 107 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 107 V C 2.882 178.979 176.094 0.005 0.000 1.059 107 V CA 1.909 64.213 62.300 0.007 0.000 1.051 107 V CB -1.009 30.819 31.823 0.009 0.000 0.658 107 V HN 0.590 nan 8.190 nan 0.000 0.455 108 A N -0.574 122.249 122.820 0.004 0.000 2.206 108 A HA 0.242 4.562 4.320 -0.000 0.000 0.211 108 A C 2.122 179.707 177.584 0.002 0.000 1.158 108 A CA 1.186 53.224 52.037 0.003 0.000 0.761 108 A CB -0.343 18.658 19.000 0.001 0.000 0.801 108 A HN 0.551 nan 8.150 nan 0.000 0.473 109 A N -1.855 120.967 122.820 0.003 0.000 2.251 109 A HA 0.441 4.760 4.320 -0.000 0.000 0.209 109 A C 1.673 179.258 177.584 0.002 0.000 1.187 109 A CA 1.095 53.133 52.037 0.002 0.000 0.823 109 A CB -0.596 18.406 19.000 0.002 0.000 0.846 109 A HN 1.688 nan 8.150 nan 0.000 0.486 110 G N -1.873 106.929 108.800 0.003 0.000 2.176 110 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.232 110 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.232 110 G C 0.199 175.101 174.900 0.004 0.000 0.986 110 G CA 0.255 45.356 45.100 0.003 0.000 0.643 110 G HN 0.349 nan 8.290 nan 0.000 0.522 111 M N 0.947 120.550 119.600 0.004 0.000 2.250 111 M HA 0.321 4.801 4.480 -0.000 0.000 0.325 111 M C 0.750 177.054 176.300 0.007 0.000 1.084 111 M CA -0.135 55.168 55.300 0.005 0.000 1.161 111 M CB 0.356 32.959 32.600 0.005 0.000 1.481 111 M HN 0.273 nan 8.290 nan 0.000 0.449 112 N N 3.160 121.865 118.700 0.007 0.000 2.402 112 N HA 0.225 4.965 4.740 -0.000 0.000 0.252 112 N C -2.278 173.238 175.510 0.010 0.000 1.118 112 N CA -1.877 51.178 53.050 0.008 0.000 0.945 112 N CB 0.840 39.331 38.487 0.008 0.000 1.147 112 N HN 0.210 nan 8.380 nan 0.000 0.495 113 P HA -0.161 nan 4.420 nan 0.000 0.216 113 P C 1.243 178.551 177.300 0.013 0.000 1.150 113 P CA 1.069 64.177 63.100 0.013 0.000 0.843 113 P CB 0.128 31.837 31.700 0.015 0.000 0.787 114 M N -0.903 118.705 119.600 0.013 0.000 2.460 114 M HA -0.090 4.390 4.480 -0.000 0.000 0.263 114 M C 1.020 177.327 176.300 0.011 0.000 1.071 114 M CA 1.585 56.893 55.300 0.013 0.000 1.096 114 M CB -0.958 31.651 32.600 0.014 0.000 1.408 114 M HN -0.219 nan 8.290 nan 0.000 0.463 115 D N -0.828 119.578 120.400 0.010 0.000 2.216 115 D HA 0.035 4.675 4.640 -0.000 0.000 0.208 115 D C 2.002 178.307 176.300 0.009 0.000 0.960 115 D CA 0.866 54.871 54.000 0.009 0.000 0.861 115 D CB -0.086 40.718 40.800 0.007 0.000 0.985 115 D HN 0.326 nan 8.370 nan 0.000 0.493 116 L N 0.952 122.181 121.223 0.009 0.000 2.042 116 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 116 L C 2.489 179.365 176.870 0.010 0.000 1.076 116 L CA 1.205 56.050 54.840 0.009 0.000 0.749 116 L CB -0.348 41.717 42.059 0.010 0.000 0.893 116 L HN 0.005 nan 8.230 nan 0.000 0.432 117 K N 0.364 120.771 120.400 0.012 0.000 2.009 117 K HA -0.210 4.110 4.320 -0.000 0.000 0.210 117 K C 2.308 178.914 176.600 0.011 0.000 1.049 117 K CA 1.496 57.791 56.287 0.013 0.000 0.929 117 K CB -0.053 32.456 32.500 0.015 0.000 0.714 117 K HN 0.169 nan 8.250 nan 0.000 0.440 118 R N -0.277 120.229 120.500 0.010 0.000 2.127 118 R HA -0.111 4.229 4.340 -0.000 0.000 0.238 118 R C 2.392 178.696 176.300 0.007 0.000 1.134 118 R CA 1.314 57.420 56.100 0.009 0.000 0.975 118 R CB -0.497 29.808 30.300 0.008 0.000 0.865 118 R HN 0.443 nan 8.270 nan 0.000 0.447 119 G N 1.557 110.362 108.800 0.007 0.000 2.464 119 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.214 119 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.214 119 G C 1.460 176.364 174.900 0.006 0.000 1.218 119 G CA 0.531 45.635 45.100 0.006 0.000 0.794 119 G HN 0.118 nan 8.290 nan 0.000 0.542 120 I N 1.374 121.949 120.570 0.007 0.000 2.103 120 I HA -0.304 3.866 4.170 -0.000 0.000 0.241 120 I C 2.463 178.583 176.117 0.006 0.000 1.036 120 I CA 1.947 63.252 61.300 0.008 0.000 1.300 120 I CB -0.190 37.817 38.000 0.011 0.000 1.010 120 I HN 0.118 nan 8.210 nan 0.000 0.406 121 D N 0.271 120.675 120.400 0.007 0.000 2.097 121 D HA -0.214 4.426 4.640 -0.000 0.000 0.195 121 D C 2.097 178.398 176.300 0.002 0.000 0.989 121 D CA 1.244 55.247 54.000 0.005 0.000 0.827 121 D CB -0.312 40.493 40.800 0.008 0.000 0.966 121 D HN 0.348 nan 8.370 nan 0.000 0.456 122 K N 0.688 121.090 120.400 0.003 0.000 2.057 122 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 122 K C 2.053 178.653 176.600 -0.000 0.000 1.049 122 K CA 1.206 57.494 56.287 0.001 0.000 0.931 122 K CB -0.037 32.464 32.500 0.002 0.000 0.714 122 K HN 0.013 nan 8.250 nan 0.000 0.440 123 A N 0.712 123.532 122.820 0.001 0.000 1.883 123 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 123 A C 2.248 179.830 177.584 -0.003 0.000 1.186 123 A CA 1.800 53.837 52.037 0.000 0.000 0.624 123 A CB -0.748 18.253 19.000 0.002 0.000 0.822 123 A HN 0.187 nan 8.150 nan 0.000 0.444 124 V N -0.078 119.834 119.914 -0.005 0.000 2.343 124 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 124 V C 2.725 178.809 176.094 -0.015 0.000 1.051 124 V CA 2.447 64.740 62.300 -0.011 0.000 1.036 124 V CB -1.228 30.587 31.823 -0.014 0.000 0.654 124 V HN 0.648 nan 8.190 nan 0.000 0.451 125 T N 0.228 114.775 114.554 -0.012 0.000 2.833 125 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 125 T C 1.933 176.627 174.700 -0.011 0.000 1.054 125 T CA 1.505 63.597 62.100 -0.012 0.000 1.135 125 T CB -0.299 68.564 68.868 -0.007 0.000 0.869 125 T HN 0.581 nan 8.240 nan 0.000 0.466 126 A N 1.245 124.061 122.820 -0.008 0.000 1.878 126 A HA 0.468 4.788 4.320 -0.000 0.000 0.213 126 A C 2.658 180.239 177.584 -0.006 0.000 1.192 126 A CA 1.195 53.228 52.037 -0.005 0.000 0.619 126 A CB -1.037 17.961 19.000 -0.003 0.000 0.837 126 A HN 0.461 nan 8.150 nan 0.000 0.446 127 A N -0.330 122.486 122.820 -0.007 0.000 1.940 127 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 127 A C 2.193 179.769 177.584 -0.012 0.000 1.176 127 A CA 1.867 53.899 52.037 -0.008 0.000 0.631 127 A CB -0.883 18.112 19.000 -0.008 0.000 0.814 127 A HN 0.365 nan 8.150 nan 0.000 0.446 128 V N -0.090 119.813 119.914 -0.018 0.000 2.358 128 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 128 V C 2.619 178.704 176.094 -0.016 0.000 1.047 128 V CA 2.118 64.404 62.300 -0.024 0.000 1.035 128 V CB -0.675 31.127 31.823 -0.035 0.000 0.658 128 V HN 0.468 nan 8.190 nan 0.000 0.452 129 E N -0.030 120.162 120.200 -0.012 0.000 2.085 129 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 129 E C 2.327 178.924 176.600 -0.005 0.000 0.994 129 E CA 1.104 57.499 56.400 -0.008 0.000 0.801 129 E CB -0.285 29.412 29.700 -0.006 0.000 0.743 129 E HN 0.523 nan 8.360 nan 0.000 0.453 130 E N 0.251 120.449 120.200 -0.004 0.000 2.072 130 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 130 E C 2.403 179.003 176.600 0.000 0.000 0.985 130 E CA 0.434 56.834 56.400 -0.000 0.000 0.801 130 E CB -0.282 29.419 29.700 0.001 0.000 0.750 130 E HN 0.288 nan 8.360 nan 0.000 0.452 131 L N 0.534 121.755 121.223 -0.002 0.000 2.079 131 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 131 L C 2.426 179.295 176.870 -0.002 0.000 1.081 131 L CA 1.197 56.036 54.840 -0.002 0.000 0.752 131 L CB -0.298 41.757 42.059 -0.007 0.000 0.896 131 L HN 0.017 nan 8.230 nan 0.000 0.433 132 K N -0.069 120.328 120.400 -0.004 0.000 2.152 132 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 132 K C 2.096 178.696 176.600 0.000 0.000 1.048 132 K CA 1.377 57.662 56.287 -0.003 0.000 0.933 132 K CB -0.288 32.209 32.500 -0.005 0.000 0.721 132 K HN 0.335 nan 8.250 nan 0.000 0.447 133 A N 0.074 122.894 122.820 0.001 0.000 1.854 133 A HA -0.093 4.227 4.320 -0.000 0.000 0.214 133 A C 1.992 179.579 177.584 0.005 0.000 1.192 133 A CA 1.082 53.121 52.037 0.003 0.000 0.611 133 A CB -0.559 18.443 19.000 0.003 0.000 0.832 133 A HN 0.169 nan 8.150 nan 0.000 0.442 134 L N 0.454 121.681 121.223 0.007 0.000 2.083 134 L HA -0.042 4.298 4.340 -0.000 0.000 0.209 134 L C 1.758 178.633 176.870 0.010 0.000 1.083 134 L CA 1.427 56.273 54.840 0.010 0.000 0.752 134 L CB -0.557 41.509 42.059 0.012 0.000 0.899 134 L HN 0.380 nan 8.230 nan 0.000 0.433 135 S N -0.207 115.497 115.700 0.007 0.000 2.575 135 S HA 0.215 4.685 4.470 -0.000 0.000 0.295 135 S C -0.166 174.439 174.600 0.008 0.000 1.267 135 S CA -0.391 57.813 58.200 0.007 0.000 1.074 135 S CB 0.058 63.261 63.200 0.005 0.000 0.829 135 S HN 0.159 nan 8.310 nan 0.000 0.497 136 V N 3.330 123.250 119.914 0.009 0.000 2.667 136 V HA 0.734 4.854 4.120 -0.000 0.000 0.308 136 V C -2.596 173.503 176.094 0.007 0.000 1.048 136 V CA -2.671 59.633 62.300 0.008 0.000 0.928 136 V CB 0.770 32.598 31.823 0.009 0.000 1.004 136 V HN 0.694 nan 8.190 nan 0.000 0.444 137 P HA 0.198 nan 4.420 nan 0.000 0.270 137 P C -0.642 176.661 177.300 0.006 0.000 1.221 137 P CA -0.080 63.023 63.100 0.005 0.000 0.788 137 P CB 0.353 32.056 31.700 0.004 0.000 0.904 138 C N 1.799 121.102 119.300 0.006 0.000 2.660 138 C HA 0.536 4.996 4.460 -0.000 0.000 0.336 138 C C 0.956 175.949 174.990 0.005 0.000 1.058 138 C CA 0.557 59.578 59.018 0.006 0.000 1.368 138 C CB -0.795 26.950 27.740 0.007 0.000 1.884 138 C HN 0.696 nan 8.230 nan 0.000 0.454 139 S N 2.173 117.875 115.700 0.004 0.000 2.769 139 S HA 0.200 4.670 4.470 -0.000 0.000 0.258 139 S C -0.022 174.579 174.600 0.002 0.000 1.080 139 S CA 0.198 58.400 58.200 0.003 0.000 0.943 139 S CB -0.315 62.886 63.200 0.002 0.000 0.893 139 S HN 0.851 nan 8.310 nan 0.000 0.490 140 D N 2.334 122.736 120.400 0.003 0.000 2.382 140 D HA 0.291 4.931 4.640 -0.000 0.000 0.245 140 D C 0.677 176.979 176.300 0.003 0.000 1.120 140 D CA -0.025 53.977 54.000 0.003 0.000 0.890 140 D CB 1.290 42.092 40.800 0.003 0.000 1.201 140 D HN 0.088 nan 8.370 nan 0.000 0.433 141 S N 1.530 117.232 115.700 0.002 0.000 2.389 141 S HA -0.273 4.197 4.470 -0.000 0.000 0.231 141 S C 1.605 176.207 174.600 0.003 0.000 1.052 141 S CA 1.767 59.968 58.200 0.002 0.000 1.053 141 S CB -0.261 62.940 63.200 0.002 0.000 0.886 141 S HN 0.699 nan 8.310 nan 0.000 0.456 142 K N 1.014 121.416 120.400 0.003 0.000 2.057 142 K HA -0.066 4.254 4.320 -0.000 0.000 0.207 142 K C 2.222 178.824 176.600 0.003 0.000 1.049 142 K CA 1.215 57.503 56.287 0.002 0.000 0.931 142 K CB -0.349 32.153 32.500 0.002 0.000 0.714 142 K HN 0.308 nan 8.250 nan 0.000 0.440 143 A N 1.290 124.113 122.820 0.004 0.000 1.902 143 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 143 A C 2.103 179.690 177.584 0.006 0.000 1.181 143 A CA 1.412 53.452 52.037 0.005 0.000 0.623 143 A CB -0.568 18.436 19.000 0.006 0.000 0.818 143 A HN 0.351 nan 8.150 nan 0.000 0.443 144 I N -0.153 120.421 120.570 0.006 0.000 2.127 144 I HA -0.337 3.833 4.170 -0.000 0.000 0.241 144 I C 2.985 179.107 176.117 0.008 0.000 1.075 144 I CA 1.247 62.551 61.300 0.007 0.000 1.334 144 I CB -0.298 37.706 38.000 0.006 0.000 1.040 144 I HN 0.368 nan 8.210 nan 0.000 0.405 145 A N -0.237 122.586 122.820 0.006 0.000 1.978 145 A HA -0.293 4.027 4.320 -0.000 0.000 0.220 145 A C 2.211 179.798 177.584 0.005 0.000 1.170 145 A CA 1.774 53.814 52.037 0.005 0.000 0.636 145 A CB -0.616 18.386 19.000 0.003 0.000 0.810 145 A HN 0.509 nan 8.150 nan 0.000 0.448 146 Q N -0.660 119.142 119.800 0.004 0.000 2.046 146 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 146 Q C 2.321 178.324 176.000 0.005 0.000 0.975 146 Q CA 1.976 57.780 55.803 0.003 0.000 0.836 146 Q CB -0.495 28.244 28.738 0.002 0.000 0.896 146 Q HN 0.757 nan 8.270 nan 0.000 0.428 147 V N -1.230 118.689 119.914 0.009 0.000 2.295 147 V HA -0.126 3.994 4.120 -0.000 0.000 0.246 147 V C 1.982 178.084 176.094 0.015 0.000 1.049 147 V CA 2.287 64.595 62.300 0.012 0.000 1.024 147 V CB -1.517 30.316 31.823 0.016 0.000 0.648 147 V HN 0.383 nan 8.190 nan 0.000 0.447 148 G N -0.104 108.705 108.800 0.016 0.000 2.529 148 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.219 148 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.219 148 G C 1.615 176.522 174.900 0.012 0.000 1.177 148 G CA 1.968 47.078 45.100 0.017 0.000 0.773 148 G HN 0.532 nan 8.290 nan 0.000 0.573 149 T N 0.940 115.499 114.554 0.007 0.000 2.708 149 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 149 T C 2.398 177.099 174.700 0.001 0.000 1.037 149 T CA 1.210 63.312 62.100 0.002 0.000 1.146 149 T CB -0.152 68.715 68.868 -0.002 0.000 0.865 149 T HN 0.153 nan 8.240 nan 0.000 0.435 150 I N 0.708 121.279 120.570 0.001 0.000 2.353 150 I HA -0.084 4.086 4.170 -0.000 0.000 0.248 150 I C 2.645 178.764 176.117 0.003 0.000 1.119 150 I CA 0.811 62.110 61.300 -0.001 0.000 1.417 150 I CB -0.477 37.523 38.000 -0.001 0.000 1.078 150 I HN 0.132 nan 8.210 nan 0.000 0.421 151 S N 0.221 115.926 115.700 0.009 0.000 2.374 151 S HA -0.144 4.326 4.470 -0.000 0.000 0.227 151 S C 1.797 176.403 174.600 0.009 0.000 1.037 151 S CA 1.370 59.577 58.200 0.013 0.000 1.024 151 S CB -0.301 62.912 63.200 0.022 0.000 0.861 151 S HN 0.453 nan 8.310 nan 0.000 0.456 152 A N 0.994 123.819 122.820 0.008 0.000 2.648 152 A HA 0.349 4.669 4.320 -0.000 0.000 0.269 152 A C 0.529 178.113 177.584 0.000 0.000 1.392 152 A CA -0.070 51.970 52.037 0.005 0.000 1.019 152 A CB -1.249 17.755 19.000 0.007 0.000 1.009 152 A HN 0.750 nan 8.150 nan 0.000 0.565 153 N N 0.351 119.051 118.700 -0.001 0.000 2.705 153 N HA -0.219 4.521 4.740 -0.000 0.000 0.255 153 N C -0.127 175.378 175.510 -0.008 0.000 1.008 153 N CA 0.444 53.491 53.050 -0.005 0.000 0.742 153 N CB -0.826 37.658 38.487 -0.005 0.000 0.906 153 N HN 0.467 nan 8.380 nan 0.000 0.541 154 S N -0.375 115.319 115.700 -0.009 0.000 3.749 154 S HA -0.197 4.273 4.470 -0.000 0.000 0.348 154 S C -0.629 173.965 174.600 -0.011 0.000 1.045 154 S CA 0.926 59.118 58.200 -0.013 0.000 1.051 154 S CB -0.654 62.534 63.200 -0.020 0.000 0.898 154 S HN 0.668 nan 8.310 nan 0.000 0.472 155 D N 0.899 121.295 120.400 -0.006 0.000 2.472 155 D HA 0.285 4.925 4.640 -0.000 0.000 0.234 155 D C 1.112 177.410 176.300 -0.003 0.000 1.088 155 D CA -0.477 53.521 54.000 -0.004 0.000 0.882 155 D CB 0.582 41.381 40.800 -0.002 0.000 1.037 155 D HN 0.398 nan 8.370 nan 0.000 0.520 156 E N 0.985 121.182 120.200 -0.005 0.000 2.130 156 E HA -0.167 4.183 4.350 -0.000 0.000 0.196 156 E C 1.236 177.836 176.600 -0.001 0.000 0.998 156 E CA 1.432 57.830 56.400 -0.004 0.000 0.806 156 E CB 0.362 30.059 29.700 -0.006 0.000 0.738 156 E HN 0.505 nan 8.360 nan 0.000 0.459 157 T N 0.447 115.000 114.554 -0.001 0.000 2.821 157 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 157 T C 2.125 176.827 174.700 0.003 0.000 1.046 157 T CA 1.061 63.161 62.100 0.001 0.000 1.139 157 T CB -0.187 68.681 68.868 0.000 0.000 0.871 157 T HN -0.003 nan 8.240 nan 0.000 0.454 158 V N 1.640 121.556 119.914 0.004 0.000 2.358 158 V HA -0.029 4.091 4.120 -0.000 0.000 0.246 158 V C 2.897 178.997 176.094 0.009 0.000 1.047 158 V CA 1.736 64.041 62.300 0.008 0.000 1.035 158 V CB -1.552 30.277 31.823 0.009 0.000 0.658 158 V HN 0.568 nan 8.190 nan 0.000 0.452 159 G N 0.412 109.216 108.800 0.007 0.000 2.545 159 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.217 159 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.217 159 G C 1.561 176.464 174.900 0.006 0.000 1.218 159 G CA 1.426 46.530 45.100 0.007 0.000 0.787 159 G HN 0.458 nan 8.290 nan 0.000 0.571 160 K N -0.188 120.214 120.400 0.004 0.000 2.089 160 K HA -0.101 4.219 4.320 -0.000 0.000 0.210 160 K C 2.330 178.932 176.600 0.004 0.000 1.048 160 K CA 1.125 57.414 56.287 0.003 0.000 0.926 160 K CB -0.662 31.838 32.500 0.001 0.000 0.714 160 K HN 0.249 nan 8.250 nan 0.000 0.448 161 L N 0.388 121.614 121.223 0.005 0.000 2.093 161 L HA 0.046 4.386 4.340 -0.000 0.000 0.208 161 L C 2.042 178.916 176.870 0.007 0.000 1.085 161 L CA 1.503 56.347 54.840 0.006 0.000 0.755 161 L CB -0.419 41.644 42.059 0.007 0.000 0.904 161 L HN 0.267 nan 8.230 nan 0.000 0.435 162 I N -1.107 119.468 120.570 0.009 0.000 2.286 162 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 162 I C 2.531 178.652 176.117 0.007 0.000 1.104 162 I CA 1.010 62.316 61.300 0.011 0.000 1.397 162 I CB -0.468 37.541 38.000 0.015 0.000 1.072 162 I HN 0.234 nan 8.210 nan 0.000 0.417 163 A N 0.336 123.159 122.820 0.006 0.000 1.892 163 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 163 A C 2.238 179.824 177.584 0.003 0.000 1.188 163 A CA 1.992 54.032 52.037 0.005 0.000 0.631 163 A CB -0.710 18.293 19.000 0.004 0.000 0.822 163 A HN 0.438 nan 8.150 nan 0.000 0.447 164 E N -0.589 119.613 120.200 0.003 0.000 2.118 164 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 164 E C 2.334 178.935 176.600 0.002 0.000 0.992 164 E CA 0.876 57.277 56.400 0.002 0.000 0.804 164 E CB -0.261 29.440 29.700 0.002 0.000 0.741 164 E HN 0.637 nan 8.360 nan 0.000 0.458 165 A N 1.121 123.943 122.820 0.003 0.000 1.845 165 A HA -0.222 4.098 4.320 -0.000 0.000 0.215 165 A C 2.174 179.758 177.584 0.001 0.000 1.195 165 A CA 1.645 53.683 52.037 0.003 0.000 0.616 165 A CB -0.574 18.428 19.000 0.005 0.000 0.832 165 A HN 0.150 nan 8.150 nan 0.000 0.443 166 M N -0.880 118.720 119.600 0.001 0.000 2.149 166 M HA -0.205 4.275 4.480 -0.000 0.000 0.261 166 M C 1.854 178.153 176.300 -0.001 0.000 1.064 166 M CA 2.046 57.346 55.300 -0.001 0.000 1.102 166 M CB -0.678 31.921 32.600 -0.001 0.000 1.369 166 M HN 0.540 nan 8.290 nan 0.000 0.408 167 D N 0.358 120.757 120.400 -0.000 0.000 2.149 167 D HA -0.159 4.481 4.640 -0.000 0.000 0.198 167 D C 1.910 178.209 176.300 -0.001 0.000 0.990 167 D CA 1.420 55.420 54.000 -0.000 0.000 0.839 167 D CB 0.219 41.019 40.800 0.000 0.000 0.948 167 D HN 0.171 nan 8.370 nan 0.000 0.460 168 K N -0.911 119.488 120.400 -0.001 0.000 2.202 168 K HA 0.046 4.366 4.320 -0.000 0.000 0.201 168 K C 1.944 178.543 176.600 -0.001 0.000 1.051 168 K CA 0.710 56.996 56.287 -0.001 0.000 0.977 168 K CB 0.389 32.889 32.500 -0.000 0.000 0.792 168 K HN 0.126 nan 8.250 nan 0.000 0.469 169 V N -2.622 117.291 119.914 -0.001 0.000 2.788 169 V HA 0.297 4.417 4.120 -0.000 0.000 0.251 169 V C 1.031 177.124 176.094 -0.003 0.000 1.068 169 V CA 0.676 62.975 62.300 -0.002 0.000 1.090 169 V CB -0.874 30.948 31.823 -0.002 0.000 0.710 169 V HN 0.364 nan 8.190 nan 0.000 0.467 170 G N 0.388 109.186 108.800 -0.003 0.000 2.548 170 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.208 170 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.208 170 G C 0.167 175.064 174.900 -0.006 0.000 1.308 170 G CA 0.202 45.300 45.100 -0.004 0.000 0.924 170 G HN 0.294 nan 8.290 nan 0.000 0.540 171 K N 0.082 120.478 120.400 -0.006 0.000 2.202 171 K HA 0.159 4.479 4.320 -0.000 0.000 0.201 171 K C 1.573 178.166 176.600 -0.010 0.000 1.051 171 K CA 0.923 57.205 56.287 -0.008 0.000 0.977 171 K CB 0.113 32.609 32.500 -0.007 0.000 0.792 171 K HN 0.443 nan 8.250 nan 0.000 0.469 172 E N 1.003 121.197 120.200 -0.010 0.000 2.320 172 E HA 0.065 4.414 4.350 -0.000 0.000 0.189 172 E C 0.015 176.608 176.600 -0.012 0.000 1.100 172 E CA -0.140 56.253 56.400 -0.012 0.000 1.009 172 E CB 0.668 30.362 29.700 -0.011 0.000 1.145 172 E HN 0.200 nan 8.360 nan 0.000 0.454 173 G N 0.238 109.031 108.800 -0.011 0.000 2.453 173 G HA2 0.451 4.411 3.960 -0.000 0.000 0.323 173 G HA3 0.451 4.411 3.960 -0.000 0.000 0.323 173 G C -0.432 174.462 174.900 -0.011 0.000 1.198 173 G CA -0.454 44.640 45.100 -0.009 0.000 0.959 173 G HN -0.023 nan 8.290 nan 0.000 0.482 174 V N 0.939 120.848 119.914 -0.008 0.000 2.532 174 V HA 0.546 4.666 4.120 -0.000 0.000 0.295 174 V C -0.174 175.918 176.094 -0.003 0.000 1.041 174 V CA -0.556 61.739 62.300 -0.008 0.000 0.926 174 V CB 1.425 33.245 31.823 -0.004 0.000 0.992 174 V HN 0.574 nan 8.190 nan 0.000 0.457 175 I N 3.484 124.051 120.570 -0.005 0.000 2.447 175 I HA 0.494 4.664 4.170 -0.000 0.000 0.287 175 I C 0.191 176.314 176.117 0.009 0.000 1.023 175 I CA -0.120 61.181 61.300 0.002 0.000 1.083 175 I CB 2.239 40.239 38.000 0.001 0.000 1.245 175 I HN 0.786 nan 8.210 nan 0.000 0.434 176 T N 2.789 117.353 114.554 0.017 0.000 2.950 176 T HA 0.730 5.080 4.350 -0.000 0.000 0.288 176 T C -0.588 174.129 174.700 0.028 0.000 1.035 176 T CA -0.944 61.172 62.100 0.027 0.000 1.028 176 T CB 2.412 71.298 68.868 0.028 0.000 1.109 176 T HN 0.329 nan 8.240 nan 0.000 0.514 177 V N 1.134 121.069 119.914 0.035 0.000 2.525 177 V HA 0.679 4.799 4.120 -0.000 0.000 0.299 177 V C -1.394 174.717 176.094 0.028 0.000 1.034 177 V CA -0.521 61.797 62.300 0.032 0.000 0.863 177 V CB 1.290 33.136 31.823 0.039 0.000 0.999 177 V HN 1.108 nan 8.190 nan 0.000 0.423 178 E N 3.670 123.883 120.200 0.021 0.000 2.423 178 E HA 0.552 4.902 4.350 -0.000 0.000 0.269 178 E C -1.642 174.966 176.600 0.014 0.000 0.948 178 E CA -1.149 55.262 56.400 0.018 0.000 0.802 178 E CB 1.168 30.878 29.700 0.017 0.000 1.339 178 E HN 0.585 nan 8.360 nan 0.000 0.445 179 D N 0.877 121.285 120.400 0.012 0.000 2.425 179 D HA 0.246 4.886 4.640 -0.000 0.000 0.247 179 D C 0.116 176.420 176.300 0.007 0.000 1.147 179 D CA 0.267 54.272 54.000 0.009 0.000 0.879 179 D CB 1.039 41.844 40.800 0.009 0.000 1.179 179 D HN 0.525 nan 8.370 nan 0.000 0.456 180 G N 0.148 108.951 108.800 0.006 0.000 2.502 180 G HA2 0.358 4.318 3.960 -0.000 0.000 0.305 180 G HA3 0.358 4.318 3.960 -0.000 0.000 0.305 180 G C 1.069 175.970 174.900 0.003 0.000 1.190 180 G CA -0.283 44.819 45.100 0.004 0.000 0.933 180 G HN 0.416 nan 8.290 nan 0.000 0.503 181 T N -1.601 112.954 114.554 0.001 0.000 2.901 181 T HA 0.223 4.573 4.350 -0.000 0.000 0.252 181 T C 1.590 176.290 174.700 0.001 0.000 1.035 181 T CA 0.896 62.997 62.100 0.001 0.000 1.142 181 T CB -0.461 68.406 68.868 -0.000 0.000 0.869 181 T HN 0.722 nan 8.240 nan 0.000 0.442 182 G N 0.658 109.458 108.800 0.000 0.000 2.489 182 G HA2 0.481 4.441 3.960 -0.000 0.000 0.271 182 G HA3 0.481 4.441 3.960 -0.000 0.000 0.271 182 G C 0.577 175.477 174.900 0.001 0.000 1.427 182 G CA -0.576 44.524 45.100 0.000 0.000 1.057 182 G HN 0.312 nan 8.290 nan 0.000 0.532 183 L N -0.735 120.488 121.223 0.000 0.000 2.416 183 L HA 0.125 4.465 4.340 -0.000 0.000 0.216 183 L C 0.632 177.503 176.870 0.000 0.000 1.098 183 L CA 0.706 55.546 54.840 0.000 0.000 0.840 183 L CB -0.217 41.842 42.059 -0.000 0.000 0.981 183 L HN 0.516 nan 8.230 nan 0.000 0.462 184 Q N -0.546 119.254 119.800 0.000 0.000 2.257 184 Q HA 0.310 4.650 4.340 -0.000 0.000 0.262 184 Q C -0.684 175.317 176.000 0.001 0.000 0.997 184 Q CA -0.711 55.092 55.803 0.001 0.000 0.873 184 Q CB 0.807 29.545 28.738 -0.000 0.000 1.312 184 Q HN -0.012 nan 8.270 nan 0.000 0.450 185 D N 0.976 121.377 120.400 0.002 0.000 2.357 185 D HA 0.125 4.765 4.640 -0.000 0.000 0.242 185 D C -0.527 175.774 176.300 0.003 0.000 1.153 185 D CA 0.132 54.134 54.000 0.003 0.000 0.918 185 D CB 0.976 41.779 40.800 0.004 0.000 1.181 185 D HN 0.583 nan 8.370 nan 0.000 0.435 186 E N 0.584 120.786 120.200 0.003 0.000 2.304 186 E HA 0.327 4.677 4.350 -0.000 0.000 0.277 186 E C -1.885 174.716 176.600 0.003 0.000 0.898 186 E CA -0.765 55.636 56.400 0.002 0.000 0.764 186 E CB 1.844 31.545 29.700 0.001 0.000 1.216 186 E HN 0.169 nan 8.360 nan 0.000 0.419 187 L N 4.035 125.259 121.223 0.002 0.000 2.296 187 L HA 0.515 4.855 4.340 -0.000 0.000 0.286 187 L C -1.375 175.496 176.870 0.001 0.000 1.023 187 L CA -0.136 54.706 54.840 0.003 0.000 0.812 187 L CB 1.372 43.433 42.059 0.003 0.000 1.223 187 L HN 0.429 nan 8.230 nan 0.000 0.421 188 D N 4.432 124.832 120.400 0.001 0.000 2.391 188 D HA 0.451 5.091 4.640 -0.000 0.000 0.245 188 D C -1.036 175.264 176.300 -0.001 0.000 1.069 188 D CA -0.057 53.942 54.000 -0.001 0.000 0.831 188 D CB 2.539 43.338 40.800 -0.002 0.000 1.204 188 D HN 0.277 nan 8.370 nan 0.000 0.503 189 V N 2.493 122.406 119.914 -0.002 0.000 2.487 189 V HA 0.292 4.412 4.120 -0.000 0.000 0.298 189 V C 0.056 176.149 176.094 -0.003 0.000 1.028 189 V CA -0.828 61.471 62.300 -0.001 0.000 0.860 189 V CB 2.065 33.887 31.823 -0.001 0.000 0.991 189 V HN 0.268 nan 8.190 nan 0.000 0.427 190 V N 4.454 124.367 119.914 -0.002 0.000 2.350 190 V HA 0.409 4.529 4.120 -0.000 0.000 0.276 190 V C 0.202 176.297 176.094 0.000 0.000 1.028 190 V CA -0.704 61.594 62.300 -0.003 0.000 0.860 190 V CB 1.234 33.055 31.823 -0.004 0.000 0.990 190 V HN 0.785 nan 8.190 nan 0.000 0.453 191 E N 2.987 123.187 120.200 -0.001 0.000 2.301 191 E HA 0.535 4.885 4.350 -0.000 0.000 0.275 191 E C 0.872 177.476 176.600 0.006 0.000 1.030 191 E CA 0.845 57.246 56.400 0.002 0.000 0.852 191 E CB 1.711 31.410 29.700 -0.001 0.000 1.060 191 E HN 0.959 nan 8.360 nan 0.000 0.401 192 G N 2.633 111.439 108.800 0.009 0.000 2.547 192 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.271 192 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.271 192 G C -0.131 174.785 174.900 0.027 0.000 1.209 192 G CA 0.295 45.404 45.100 0.016 0.000 0.959 192 G HN 0.535 nan 8.290 nan 0.000 0.563 193 M N 1.002 120.628 119.600 0.043 0.000 2.364 193 M HA 0.670 5.150 4.480 -0.000 0.000 0.334 193 M C -0.376 175.985 176.300 0.102 0.000 1.107 193 M CA -0.556 54.788 55.300 0.074 0.000 0.988 193 M CB 1.528 34.179 32.600 0.085 0.000 1.673 193 M HN 0.892 nan 8.290 nan 0.000 0.441 194 Q N 4.626 124.496 119.800 0.116 0.000 2.379 194 Q HA 0.615 4.955 4.340 -0.000 0.000 0.278 194 Q C -2.214 173.890 176.000 0.173 0.000 1.068 194 Q CA -0.698 55.152 55.803 0.078 0.000 0.816 194 Q CB 2.381 31.106 28.738 -0.021 0.000 1.387 194 Q HN 0.736 nan 8.270 nan 0.000 0.413 195 F N -0.651 119.289 119.950 -0.016 0.000 2.613 195 F HA 0.501 5.028 4.527 0.000 0.000 0.314 195 F C -0.795 174.993 175.800 -0.020 0.000 1.075 195 F CA -1.223 56.764 58.000 -0.021 0.000 0.945 195 F CB 1.096 40.079 39.000 -0.029 0.000 1.310 195 F HN 0.322 nan 8.300 nan 0.000 0.467 196 D N 2.489 122.960 120.400 0.118 0.000 2.441 196 D HA 0.223 4.863 4.640 -0.000 0.000 0.243 196 D C -0.514 175.808 176.300 0.036 0.000 1.257 196 D CA 0.518 54.533 54.000 0.026 0.000 1.027 196 D CB 0.251 41.090 40.800 0.066 0.000 1.084 196 D HN 0.464 nan 8.370 nan 0.000 0.514 197 R N 0.437 120.865 120.500 -0.121 0.000 2.523 197 R HA 0.431 4.771 4.340 -0.000 0.000 0.278 197 R C -0.505 175.688 176.300 -0.178 0.000 1.150 197 R CA -0.534 55.523 56.100 -0.071 0.000 0.987 197 R CB 1.460 31.834 30.300 0.123 0.000 1.232 197 R HN 0.288 nan 8.270 nan 0.000 0.424 198 G N 1.978 110.681 108.800 -0.161 0.000 2.462 198 G HA2 0.370 4.330 3.960 -0.000 0.000 0.319 198 G HA3 0.370 4.330 3.960 -0.000 0.000 0.319 198 G C -0.868 173.926 174.900 -0.176 0.000 1.171 198 G CA -0.594 44.326 45.100 -0.300 0.000 0.920 198 G HN 0.530 nan 8.290 nan 0.000 0.499 199 Y N -0.618 119.691 120.300 0.014 0.000 2.702 199 Y HA 0.267 4.817 4.550 -0.000 0.000 0.336 199 Y C 1.097 177.020 175.900 0.038 0.000 1.235 199 Y CA -0.974 57.156 58.100 0.050 0.000 1.492 199 Y CB 0.332 38.842 38.460 0.084 0.000 1.308 199 Y HN 0.211 nan 8.280 nan 0.000 0.589 200 L N 1.657 123.036 121.223 0.260 0.000 2.375 200 L HA 0.058 4.398 4.340 -0.000 0.000 0.215 200 L C 1.089 178.059 176.870 0.167 0.000 1.108 200 L CA 0.866 55.809 54.840 0.171 0.000 0.830 200 L CB 0.026 42.151 42.059 0.110 0.000 0.959 200 L HN 0.752 nan 8.230 nan 0.000 0.457 201 S N 0.863 116.668 115.700 0.175 0.000 2.528 201 S HA 0.300 4.770 4.470 -0.000 0.000 0.303 201 S C -1.539 173.022 174.600 -0.064 0.000 1.123 201 S CA -1.559 56.691 58.200 0.084 0.000 1.138 201 S CB 0.799 64.038 63.200 0.063 0.000 0.984 201 S HN -0.064 nan 8.310 nan 0.000 0.474 202 P HA -0.056 nan 4.420 nan 0.000 0.223 202 P C 0.148 177.168 177.300 -0.467 0.000 1.151 202 P CA 0.764 63.570 63.100 -0.491 0.000 0.787 202 P CB -0.178 31.304 31.700 -0.363 0.000 0.788 203 Y N -1.457 118.798 120.300 -0.075 0.000 2.581 203 Y HA 0.197 4.747 4.550 -0.000 0.000 0.346 203 Y C 1.733 177.668 175.900 0.058 0.000 1.147 203 Y CA -0.022 58.065 58.100 -0.023 0.000 1.353 203 Y CB -1.278 37.184 38.460 0.003 0.000 1.187 203 Y HN -0.010 nan 8.280 nan 0.000 0.505 204 F N -1.014 118.857 119.950 -0.131 0.000 2.778 204 F HA 0.301 4.828 4.527 -0.000 0.000 0.314 204 F C 0.648 176.369 175.800 -0.132 0.000 1.073 204 F CA -0.294 57.641 58.000 -0.108 0.000 1.218 204 F CB 0.565 39.500 39.000 -0.108 0.000 1.037 204 F HN -0.189 nan 8.300 nan 0.000 0.594 205 I N 4.416 124.792 120.570 -0.324 0.000 3.247 205 I HA -0.260 3.910 4.170 -0.000 0.000 0.309 205 I C 0.884 176.833 176.117 -0.280 0.000 1.246 205 I CA 0.564 61.659 61.300 -0.342 0.000 1.384 205 I CB 0.015 37.874 38.000 -0.235 0.000 1.401 205 I HN 0.401 nan 8.210 nan 0.000 0.520 206 N N 6.609 125.092 118.700 -0.362 0.000 2.322 206 N HA -0.003 4.737 4.740 -0.000 0.000 0.194 206 N C -0.133 175.292 175.510 -0.141 0.000 1.126 206 N CA 0.049 52.955 53.050 -0.240 0.000 0.845 206 N CB 0.541 38.857 38.487 -0.284 0.000 0.976 206 N HN 0.476 nan 8.380 nan 0.000 0.475 207 K N 1.021 121.347 120.400 -0.124 0.000 2.803 207 K HA 0.265 4.585 4.320 -0.000 0.000 0.229 207 K C -2.347 174.219 176.600 -0.056 0.000 1.084 207 K CA -1.190 55.052 56.287 -0.075 0.000 1.063 207 K CB 2.339 34.800 32.500 -0.065 0.000 1.254 207 K HN -0.136 nan 8.250 nan 0.000 0.551 208 P HA -0.094 nan 4.420 nan 0.000 0.231 208 P C 0.582 177.872 177.300 -0.018 0.000 1.158 208 P CA 0.933 64.016 63.100 -0.029 0.000 0.763 208 P CB 0.555 32.242 31.700 -0.021 0.000 0.805 209 E N -0.734 119.454 120.200 -0.019 0.000 2.047 209 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 209 E C 1.925 178.519 176.600 -0.010 0.000 0.987 209 E CA 1.984 58.376 56.400 -0.013 0.000 0.799 209 E CB -1.170 28.520 29.700 -0.015 0.000 0.752 209 E HN 0.338 nan 8.360 nan 0.000 0.449 210 T N -3.389 111.158 114.554 -0.012 0.000 3.057 210 T HA 0.249 4.599 4.350 -0.000 0.000 0.254 210 T C 1.459 176.162 174.700 0.006 0.000 1.094 210 T CA 0.251 62.348 62.100 -0.006 0.000 1.088 210 T CB 0.240 69.102 68.868 -0.011 0.000 0.934 210 T HN 0.278 nan 8.240 nan 0.000 0.497 211 G N 1.185 109.988 108.800 0.006 0.000 2.256 211 G HA2 0.196 4.156 3.960 -0.000 0.000 0.272 211 G HA3 0.196 4.156 3.960 -0.000 0.000 0.272 211 G C 0.020 174.968 174.900 0.080 0.000 1.076 211 G CA -0.119 45.000 45.100 0.031 0.000 0.882 211 G HN 1.242 nan 8.290 nan 0.000 0.497 212 A N -1.301 121.540 122.820 0.035 0.000 2.556 212 A HA 0.885 5.205 4.320 -0.000 0.000 0.294 212 A C -0.372 177.189 177.584 -0.039 0.000 1.091 212 A CA -0.312 51.763 52.037 0.062 0.000 0.704 212 A CB 1.949 20.968 19.000 0.032 0.000 1.300 212 A HN 1.298 nan 8.150 nan 0.000 0.406 213 V N 1.326 121.217 119.914 -0.037 0.000 2.407 213 V HA 0.348 4.468 4.120 -0.000 0.000 0.278 213 V C -0.097 175.931 176.094 -0.109 0.000 1.037 213 V CA -0.045 62.148 62.300 -0.179 0.000 0.900 213 V CB 1.033 32.724 31.823 -0.219 0.000 0.983 213 V HN 0.869 nan 8.190 nan 0.000 0.459 214 E N 5.353 125.472 120.200 -0.135 0.000 2.376 214 E HA 0.374 4.724 4.350 -0.000 0.000 0.236 214 E C -0.991 175.574 176.600 -0.059 0.000 0.962 214 E CA -0.311 56.046 56.400 -0.073 0.000 0.768 214 E CB 1.151 30.814 29.700 -0.062 0.000 1.236 214 E HN 0.579 nan 8.360 nan 0.000 0.431 215 L N 2.752 123.962 121.223 -0.023 0.000 2.315 215 L HA 0.202 4.542 4.340 -0.000 0.000 0.283 215 L C 0.417 177.291 176.870 0.007 0.000 1.089 215 L CA -0.378 54.470 54.840 0.014 0.000 0.833 215 L CB 0.315 42.418 42.059 0.074 0.000 1.170 215 L HN 0.368 nan 8.230 nan 0.000 0.442 216 E N 3.256 123.456 120.200 -0.000 0.000 2.180 216 E HA 0.042 4.392 4.350 -0.000 0.000 0.283 216 E C 0.417 177.003 176.600 -0.023 0.000 1.061 216 E CA 0.015 56.408 56.400 -0.012 0.000 0.861 216 E CB 0.753 30.446 29.700 -0.012 0.000 1.056 216 E HN 0.492 nan 8.360 nan 0.000 0.407 217 S N 4.596 120.273 115.700 -0.039 0.000 3.405 217 S HA -0.116 4.354 4.470 -0.000 0.000 0.373 217 S C -2.455 172.069 174.600 -0.127 0.000 0.939 217 S CA 0.359 58.512 58.200 -0.079 0.000 1.295 217 S CB -0.873 62.277 63.200 -0.084 0.000 0.919 217 S HN 0.522 nan 8.310 nan 0.000 0.535 218 P HA 0.613 nan 4.420 nan 0.000 0.286 218 P C -0.072 177.137 177.300 -0.152 0.000 1.292 218 P CA -0.883 62.173 63.100 -0.073 0.000 0.842 218 P CB 0.457 32.185 31.700 0.046 0.000 1.207 219 F N -0.406 119.567 119.950 0.039 0.000 2.370 219 F HA 0.433 4.960 4.527 -0.000 0.000 0.324 219 F C 0.747 176.571 175.800 0.040 0.000 1.116 219 F CA 0.091 58.111 58.000 0.033 0.000 1.123 219 F CB 0.414 39.430 39.000 0.027 0.000 1.238 219 F HN 0.007 nan 8.300 nan 0.000 0.536 220 I N 2.952 123.680 120.570 0.263 0.000 2.478 220 I HA 0.273 4.443 4.170 -0.000 0.000 0.287 220 I C -1.372 174.817 176.117 0.120 0.000 1.042 220 I CA -0.687 60.707 61.300 0.157 0.000 1.067 220 I CB 1.860 39.928 38.000 0.113 0.000 1.233 220 I HN 0.262 nan 8.210 nan 0.000 0.431 221 L N 7.772 129.049 121.223 0.089 0.000 2.282 221 L HA 0.547 4.887 4.340 -0.000 0.000 0.288 221 L C -1.106 175.786 176.870 0.038 0.000 1.033 221 L CA -0.065 54.804 54.840 0.050 0.000 0.807 221 L CB 0.920 42.998 42.059 0.031 0.000 1.209 221 L HN 0.474 nan 8.230 nan 0.000 0.423 222 L N 6.486 127.721 121.223 0.021 0.000 2.297 222 L HA 0.589 4.929 4.340 -0.000 0.000 0.277 222 L C -0.020 176.849 176.870 -0.002 0.000 1.040 222 L CA -0.566 54.277 54.840 0.004 0.000 0.867 222 L CB 1.130 43.184 42.059 -0.008 0.000 1.244 222 L HN 0.808 nan 8.230 nan 0.000 0.433 223 A N 1.460 124.280 122.820 0.000 0.000 2.260 223 A HA 0.206 4.526 4.320 -0.000 0.000 0.312 223 A C 0.629 178.209 177.584 -0.007 0.000 1.321 223 A CA -0.516 51.520 52.037 -0.002 0.000 0.928 223 A CB 0.699 19.701 19.000 0.003 0.000 1.158 223 A HN 0.773 nan 8.150 nan 0.000 0.542 224 D N 2.408 122.802 120.400 -0.010 0.000 2.097 224 D HA -0.111 4.529 4.640 -0.000 0.000 0.197 224 D C 0.950 177.247 176.300 -0.005 0.000 0.984 224 D CA 1.738 55.730 54.000 -0.012 0.000 0.826 224 D CB 0.011 40.804 40.800 -0.013 0.000 0.973 224 D HN 0.667 nan 8.370 nan 0.000 0.460 225 K N 0.491 120.890 120.400 -0.001 0.000 2.149 225 K HA 0.135 4.455 4.320 -0.000 0.000 0.245 225 K C -0.089 176.515 176.600 0.007 0.000 1.024 225 K CA -0.508 55.781 56.287 0.003 0.000 0.899 225 K CB 0.168 32.669 32.500 0.002 0.000 1.038 225 K HN -0.030 nan 8.250 nan 0.000 0.496 226 K N 0.947 121.354 120.400 0.010 0.000 2.172 226 K HA 0.339 4.659 4.320 -0.000 0.000 0.276 226 K C -0.672 175.935 176.600 0.011 0.000 1.013 226 K CA -0.522 55.774 56.287 0.014 0.000 0.913 226 K CB 0.688 33.199 32.500 0.018 0.000 1.055 226 K HN 0.504 nan 8.250 nan 0.000 0.461 227 I N 1.806 122.383 120.570 0.012 0.000 2.440 227 I HA 0.034 4.204 4.170 -0.000 0.000 0.294 227 I C 0.873 176.996 176.117 0.010 0.000 0.995 227 I CA -0.082 61.223 61.300 0.009 0.000 1.306 227 I CB 1.785 39.790 38.000 0.007 0.000 1.407 227 I HN 0.914 nan 8.210 nan 0.000 0.501 228 S N 2.943 118.647 115.700 0.007 0.000 2.560 228 S HA 0.240 4.710 4.470 -0.000 0.000 0.281 228 S C -0.329 174.273 174.600 0.003 0.000 1.075 228 S CA -0.277 57.927 58.200 0.007 0.000 1.295 228 S CB 0.135 63.340 63.200 0.008 0.000 1.156 228 S HN 0.749 nan 8.310 nan 0.000 0.627 229 N N 1.300 120.000 118.700 0.000 0.000 2.321 229 N HA 0.421 5.161 4.740 -0.000 0.000 0.299 229 N C 0.063 175.569 175.510 -0.006 0.000 1.048 229 N CA -0.619 52.429 53.050 -0.003 0.000 0.836 229 N CB 1.279 39.764 38.487 -0.003 0.000 1.269 229 N HN 0.018 nan 8.380 nan 0.000 0.486 230 I N 1.213 121.778 120.570 -0.008 0.000 2.756 230 I HA -0.047 4.123 4.170 -0.000 0.000 0.262 230 I C 2.156 178.265 176.117 -0.013 0.000 1.225 230 I CA 1.078 62.370 61.300 -0.012 0.000 1.472 230 I CB -0.190 37.802 38.000 -0.014 0.000 1.094 230 I HN 0.582 nan 8.210 nan 0.000 0.454 231 R N 0.565 121.059 120.500 -0.011 0.000 2.097 231 R HA -0.254 4.086 4.340 -0.000 0.000 0.236 231 R C 2.041 178.333 176.300 -0.013 0.000 1.135 231 R CA 2.266 58.360 56.100 -0.011 0.000 0.934 231 R CB -0.280 30.015 30.300 -0.008 0.000 0.846 231 R HN 0.360 nan 8.270 nan 0.000 0.431 232 E N -0.432 119.761 120.200 -0.012 0.000 2.267 232 E HA -0.180 4.170 4.350 -0.000 0.000 0.197 232 E C 1.883 178.472 176.600 -0.017 0.000 0.998 232 E CA 1.273 57.665 56.400 -0.013 0.000 0.830 232 E CB 0.049 29.743 29.700 -0.010 0.000 0.751 232 E HN 0.299 nan 8.360 nan 0.000 0.491 233 M N -0.387 119.202 119.600 -0.018 0.000 2.193 233 M HA -0.012 4.468 4.480 -0.000 0.000 0.265 233 M C 2.160 178.444 176.300 -0.027 0.000 1.071 233 M CA 1.067 56.353 55.300 -0.023 0.000 1.140 233 M CB -0.889 31.697 32.600 -0.023 0.000 1.369 233 M HN 0.154 nan 8.290 nan 0.000 0.423 234 L N 0.011 121.220 121.223 -0.024 0.000 2.030 234 L HA -0.285 4.055 4.340 -0.000 0.000 0.222 234 L C -0.327 176.526 176.870 -0.029 0.000 1.082 234 L CA 2.085 56.910 54.840 -0.024 0.000 0.785 234 L CB -2.414 39.634 42.059 -0.019 0.000 0.895 234 L HN 0.182 nan 8.230 nan 0.000 0.439 235 P HA -0.155 nan 4.420 nan 0.000 0.214 235 P C 1.819 179.090 177.300 -0.047 0.000 1.163 235 P CA 1.483 64.563 63.100 -0.034 0.000 0.889 235 P CB 0.009 31.691 31.700 -0.030 0.000 0.790 236 V N -1.002 118.880 119.914 -0.053 0.000 2.346 236 V HA -0.126 3.994 4.120 -0.000 0.000 0.244 236 V C 2.485 178.530 176.094 -0.082 0.000 1.037 236 V CA 1.049 63.303 62.300 -0.077 0.000 1.029 236 V CB -1.415 30.363 31.823 -0.075 0.000 0.663 236 V HN 0.009 nan 8.190 nan 0.000 0.454 237 L N 0.275 121.465 121.223 -0.056 0.000 2.129 237 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 237 L C 2.636 179.480 176.870 -0.043 0.000 1.087 237 L CA 1.935 56.747 54.840 -0.045 0.000 0.757 237 L CB -0.165 41.874 42.059 -0.034 0.000 0.896 237 L HN 0.417 nan 8.230 nan 0.000 0.434 238 E N -0.103 120.071 120.200 -0.044 0.000 2.028 238 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 238 E C 2.068 178.640 176.600 -0.046 0.000 0.988 238 E CA 1.592 57.969 56.400 -0.037 0.000 0.799 238 E CB -0.280 29.401 29.700 -0.032 0.000 0.755 238 E HN 0.445 nan 8.360 nan 0.000 0.447 239 A N 0.101 122.878 122.820 -0.071 0.000 2.019 239 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 239 A C 2.403 179.918 177.584 -0.115 0.000 1.164 239 A CA 1.641 53.622 52.037 -0.093 0.000 0.644 239 A CB -0.556 18.369 19.000 -0.125 0.000 0.805 239 A HN 0.206 nan 8.150 nan 0.000 0.449 240 V N -0.557 119.281 119.914 -0.127 0.000 2.591 240 V HA -0.129 3.991 4.120 -0.000 0.000 0.249 240 V C 2.911 179.012 176.094 0.012 0.000 1.053 240 V CA 1.528 63.776 62.300 -0.087 0.000 1.068 240 V CB -1.108 30.672 31.823 -0.072 0.000 0.689 240 V HN 0.571 nan 8.190 nan 0.000 0.462 241 A N -0.090 122.729 122.820 -0.002 0.000 2.015 241 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 241 A C 2.067 179.663 177.584 0.020 0.000 1.163 241 A CA 1.356 53.402 52.037 0.014 0.000 0.646 241 A CB -0.270 18.731 19.000 0.002 0.000 0.806 241 A HN 0.548 nan 8.150 nan 0.000 0.448 242 K N -0.897 119.510 120.400 0.011 0.000 2.437 242 K HA 0.407 4.727 4.320 -0.000 0.000 0.205 242 K C 0.996 177.616 176.600 0.033 0.000 1.026 242 K CA 0.417 56.713 56.287 0.016 0.000 1.153 242 K CB 0.406 32.908 32.500 0.003 0.000 0.863 242 K HN 0.384 nan 8.250 nan 0.000 0.502 243 A N -0.154 122.701 122.820 0.057 0.000 2.287 243 A HA 0.396 4.716 4.320 -0.000 0.000 0.214 243 A C 1.451 179.111 177.584 0.127 0.000 1.228 243 A CA 0.690 52.792 52.037 0.108 0.000 0.939 243 A CB 0.246 19.346 19.000 0.165 0.000 0.992 243 A HN 0.323 nan 8.150 nan 0.000 0.502 244 G N 0.113 108.977 108.800 0.107 0.000 2.579 244 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.222 244 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.222 244 G C 0.439 175.405 174.900 0.110 0.000 1.201 244 G CA 0.389 45.543 45.100 0.090 0.000 0.710 244 G HN 0.568 nan 8.290 nan 0.000 0.516 245 K N 2.411 122.903 120.400 0.152 0.000 2.485 245 K HA 0.384 4.704 4.320 -0.000 0.000 0.277 245 K C -1.958 174.752 176.600 0.184 0.000 0.990 245 K CA -0.700 55.663 56.287 0.126 0.000 0.994 245 K CB 0.516 33.036 32.500 0.034 0.000 0.906 245 K HN 0.240 nan 8.250 nan 0.000 0.488 246 P HA 0.070 nan 4.420 nan 0.000 0.275 246 P C -1.279 176.146 177.300 0.207 0.000 1.270 246 P CA -0.446 62.748 63.100 0.158 0.000 0.791 246 P CB 0.455 32.235 31.700 0.134 0.000 1.089 247 L N 0.246 121.581 121.223 0.187 0.000 2.470 247 L HA 0.553 4.893 4.340 -0.000 0.000 0.268 247 L C -1.732 175.230 176.870 0.153 0.000 0.964 247 L CA -0.851 54.102 54.840 0.187 0.000 0.839 247 L CB 1.649 43.797 42.059 0.148 0.000 1.276 247 L HN 0.098 nan 8.230 nan 0.000 0.403 248 L N 5.916 127.232 121.223 0.155 0.000 2.307 248 L HA 0.677 5.017 4.340 -0.000 0.000 0.282 248 L C -1.105 175.833 176.870 0.115 0.000 1.051 248 L CA 0.121 55.047 54.840 0.144 0.000 0.804 248 L CB 1.252 43.402 42.059 0.152 0.000 1.197 248 L HN 0.614 nan 8.230 nan 0.000 0.431 249 I N 6.561 127.190 120.570 0.097 0.000 2.390 249 I HA 0.347 4.517 4.170 -0.000 0.000 0.283 249 I C -0.631 175.537 176.117 0.086 0.000 1.016 249 I CA -0.077 61.266 61.300 0.072 0.000 1.151 249 I CB 1.111 39.135 38.000 0.040 0.000 1.293 249 I HN 0.469 nan 8.210 nan 0.000 0.458 250 I N 6.313 126.932 120.570 0.081 0.000 2.310 250 I HA 0.553 4.723 4.170 -0.000 0.000 0.287 250 I C 0.546 176.685 176.117 0.036 0.000 1.073 250 I CA 0.020 61.366 61.300 0.077 0.000 1.216 250 I CB 0.669 38.709 38.000 0.066 0.000 1.415 250 I HN 0.604 nan 8.210 nan 0.000 0.480 251 A N 4.549 127.393 122.820 0.041 0.000 2.309 251 A HA 0.426 4.746 4.320 -0.000 0.000 0.317 251 A C 1.108 178.705 177.584 0.023 0.000 1.134 251 A CA -0.520 51.531 52.037 0.024 0.000 0.866 251 A CB 0.987 20.002 19.000 0.025 0.000 1.329 251 A HN 0.720 nan 8.150 nan 0.000 0.477 252 E N -0.606 119.604 120.200 0.015 0.000 2.085 252 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 252 E C -0.316 176.304 176.600 0.033 0.000 0.994 252 E CA 1.474 57.886 56.400 0.019 0.000 0.801 252 E CB 0.160 29.870 29.700 0.016 0.000 0.743 252 E HN 0.616 nan 8.360 nan 0.000 0.453 253 D N -1.584 118.836 120.400 0.033 0.000 2.685 253 D HA 0.197 4.837 4.640 -0.000 0.000 0.236 253 D C -1.798 174.521 176.300 0.033 0.000 1.233 253 D CA -0.455 53.568 54.000 0.038 0.000 0.760 253 D CB 2.262 43.084 40.800 0.036 0.000 1.410 253 D HN -0.102 nan 8.370 nan 0.000 0.439 254 V N 2.557 122.493 119.914 0.037 0.000 2.525 254 V HA 0.501 4.621 4.120 -0.000 0.000 0.299 254 V C 0.162 176.274 176.094 0.031 0.000 1.034 254 V CA -0.499 61.818 62.300 0.029 0.000 0.863 254 V CB 1.686 33.526 31.823 0.028 0.000 0.999 254 V HN 0.651 nan 8.190 nan 0.000 0.423 255 E N 3.200 123.414 120.200 0.024 0.000 2.296 255 E HA 0.783 5.133 4.350 -0.000 0.000 0.224 255 E C 0.525 177.136 176.600 0.019 0.000 0.949 255 E CA -0.391 56.024 56.400 0.025 0.000 0.879 255 E CB 1.019 30.734 29.700 0.026 0.000 1.922 255 E HN 1.132 nan 8.360 nan 0.000 0.437 256 G N 0.979 109.791 108.800 0.019 0.000 2.574 256 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.282 256 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.282 256 G C 0.624 175.531 174.900 0.012 0.000 1.257 256 G CA 1.091 46.199 45.100 0.014 0.000 0.956 256 G HN 0.792 nan 8.290 nan 0.000 0.560 257 E N 0.190 120.394 120.200 0.007 0.000 2.208 257 E HA 0.357 4.707 4.350 -0.000 0.000 0.193 257 E C 2.706 179.305 176.600 -0.002 0.000 0.988 257 E CA 2.110 58.512 56.400 0.003 0.000 0.828 257 E CB -0.730 28.969 29.700 -0.001 0.000 0.763 257 E HN 1.298 nan 8.360 nan 0.000 0.478 258 A N 1.672 124.491 122.820 -0.002 0.000 1.869 258 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 258 A C 2.224 179.801 177.584 -0.011 0.000 1.203 258 A CA 1.925 53.957 52.037 -0.007 0.000 0.638 258 A CB -1.053 17.945 19.000 -0.004 0.000 0.831 258 A HN 0.325 nan 8.150 nan 0.000 0.450 259 L N -0.397 120.825 121.223 -0.001 0.000 2.012 259 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 259 L C 2.780 179.650 176.870 0.000 0.000 1.073 259 L CA 2.474 57.314 54.840 0.001 0.000 0.748 259 L CB -0.900 41.172 42.059 0.022 0.000 0.891 259 L HN 0.403 nan 8.230 nan 0.000 0.431 260 A N -1.218 121.608 122.820 0.010 0.000 1.908 260 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 260 A C 2.344 179.922 177.584 -0.009 0.000 1.181 260 A CA 2.823 54.866 52.037 0.010 0.000 0.627 260 A CB -1.434 17.572 19.000 0.010 0.000 0.818 260 A HN 0.651 nan 8.150 nan 0.000 0.445 261 T N -1.318 113.226 114.554 -0.017 0.000 2.737 261 T HA -0.063 4.287 4.350 -0.000 0.000 0.265 261 T C 1.842 176.517 174.700 -0.041 0.000 1.038 261 T CA 1.293 63.377 62.100 -0.026 0.000 1.144 261 T CB -0.718 68.137 68.868 -0.023 0.000 0.866 261 T HN 0.265 nan 8.240 nan 0.000 0.434 262 L N 1.106 122.297 121.223 -0.054 0.000 2.089 262 L HA -0.162 4.178 4.340 -0.000 0.000 0.213 262 L C 2.896 179.690 176.870 -0.127 0.000 1.079 262 L CA 1.163 55.945 54.840 -0.096 0.000 0.758 262 L CB -0.891 41.099 42.059 -0.115 0.000 0.891 262 L HN 0.207 nan 8.230 nan 0.000 0.433 263 V N -0.826 119.037 119.914 -0.084 0.000 2.233 263 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 263 V C 2.364 178.437 176.094 -0.036 0.000 1.050 263 V CA 1.907 64.176 62.300 -0.052 0.000 1.010 263 V CB -0.696 31.137 31.823 0.017 0.000 0.637 263 V HN 0.283 nan 8.190 nan 0.000 0.444 264 V N 0.722 120.615 119.914 -0.034 0.000 2.688 264 V HA -0.227 3.893 4.120 -0.000 0.000 0.256 264 V C 2.172 178.253 176.094 -0.022 0.000 1.084 264 V CA 1.926 64.210 62.300 -0.028 0.000 1.103 264 V CB -1.152 30.654 31.823 -0.030 0.000 0.688 264 V HN 0.577 nan 8.190 nan 0.000 0.480 265 N N 0.442 119.122 118.700 -0.033 0.000 2.207 265 N HA -0.087 4.653 4.740 -0.000 0.000 0.182 265 N C 1.913 177.416 175.510 -0.012 0.000 1.020 265 N CA 1.873 54.907 53.050 -0.027 0.000 0.858 265 N CB -0.118 38.344 38.487 -0.042 0.000 0.991 265 N HN 0.486 nan 8.380 nan 0.000 0.427 266 T N 1.483 116.023 114.554 -0.022 0.000 2.978 266 T HA 0.093 4.443 4.350 -0.000 0.000 0.262 266 T C 1.940 176.695 174.700 0.093 0.000 1.063 266 T CA 0.219 62.349 62.100 0.050 0.000 1.140 266 T CB 0.121 69.019 68.868 0.050 0.000 0.886 266 T HN 0.127 nan 8.240 nan 0.000 0.470 267 M N 0.724 120.363 119.600 0.065 0.000 2.195 267 M HA -0.128 4.352 4.480 -0.000 0.000 0.260 267 M C 2.380 178.701 176.300 0.036 0.000 1.066 267 M CA 1.547 56.880 55.300 0.057 0.000 1.089 267 M CB -0.060 32.554 32.600 0.023 0.000 1.377 267 M HN 0.059 nan 8.290 nan 0.000 0.411 268 R N -0.863 119.652 120.500 0.024 0.000 2.140 268 R HA 0.039 4.379 4.340 -0.000 0.000 0.213 268 R C 0.989 177.305 176.300 0.025 0.000 1.059 268 R CA 1.206 57.317 56.100 0.017 0.000 1.000 268 R CB 0.291 30.595 30.300 0.007 0.000 0.910 268 R HN 0.527 nan 8.270 nan 0.000 0.455 269 G N -0.049 108.773 108.800 0.037 0.000 2.135 269 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.183 269 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.183 269 G C 0.495 175.416 174.900 0.035 0.000 1.004 269 G CA 0.149 45.274 45.100 0.043 0.000 0.677 269 G HN 0.150 nan 8.290 nan 0.000 0.512 270 I N -0.121 120.464 120.570 0.026 0.000 2.193 270 I HA 0.085 4.255 4.170 -0.000 0.000 0.240 270 I C 1.553 177.685 176.117 0.025 0.000 1.084 270 I CA 2.266 63.577 61.300 0.018 0.000 1.365 270 I CB -1.339 36.664 38.000 0.006 0.000 1.064 270 I HN 0.556 nan 8.210 nan 0.000 0.410 271 V N -1.925 118.006 119.914 0.028 0.000 3.114 271 V HA 0.497 4.617 4.120 -0.000 0.000 0.308 271 V C -0.482 175.650 176.094 0.062 0.000 1.168 271 V CA -1.254 61.070 62.300 0.040 0.000 1.015 271 V CB 2.514 34.348 31.823 0.018 0.000 1.050 271 V HN 0.041 nan 8.190 nan 0.000 0.433 272 K N 1.848 122.310 120.400 0.104 0.000 2.334 272 K HA 0.719 5.039 4.320 -0.000 0.000 0.265 272 K C -0.995 175.703 176.600 0.163 0.000 1.039 272 K CA -0.441 55.962 56.287 0.194 0.000 0.920 272 K CB 1.501 34.138 32.500 0.228 0.000 1.160 272 K HN 0.936 nan 8.250 nan 0.000 0.451 273 V N 0.297 120.182 119.914 -0.047 0.000 2.577 273 V HA 0.823 4.943 4.120 -0.000 0.000 0.303 273 V C -0.598 175.196 176.094 -0.501 0.000 1.042 273 V CA -1.068 61.137 62.300 -0.158 0.000 0.872 273 V CB 1.521 33.257 31.823 -0.145 0.000 0.998 273 V HN 0.658 nan 8.190 nan 0.000 0.423 274 A N 3.505 126.296 122.820 -0.049 0.000 2.320 274 A HA 1.035 5.355 4.320 -0.000 0.000 0.334 274 A C 0.098 177.717 177.584 0.058 0.000 1.147 274 A CA -0.289 51.806 52.037 0.096 0.000 0.820 274 A CB 1.707 20.972 19.000 0.441 0.000 1.218 274 A HN 2.351 nan 8.150 nan 0.000 0.482 275 A N 1.170 124.043 122.820 0.088 0.000 2.357 275 A HA 0.662 4.982 4.320 -0.000 0.000 0.295 275 A C -0.603 177.063 177.584 0.137 0.000 1.121 275 A CA -0.242 51.846 52.037 0.085 0.000 0.742 275 A CB 0.796 19.817 19.000 0.035 0.000 1.181 275 A HN 2.114 nan 8.150 nan 0.000 0.454 276 V N 0.114 120.111 119.914 0.138 0.000 2.841 276 V HA 0.595 4.715 4.120 -0.000 0.000 0.310 276 V C -0.173 176.007 176.094 0.143 0.000 1.090 276 V CA -1.238 61.151 62.300 0.149 0.000 0.930 276 V CB 1.330 33.258 31.823 0.175 0.000 1.014 276 V HN 0.843 nan 8.190 nan 0.000 0.425 277 K N 1.747 122.225 120.400 0.128 0.000 2.188 277 K HA 0.592 4.912 4.320 -0.000 0.000 0.246 277 K C 0.434 177.110 176.600 0.127 0.000 1.026 277 K CA 0.351 56.703 56.287 0.109 0.000 0.871 277 K CB 0.482 33.038 32.500 0.095 0.000 1.042 277 K HN 1.101 nan 8.250 nan 0.000 0.509 278 A N 2.325 125.181 122.820 0.061 0.000 2.327 278 A HA 0.303 4.623 4.320 -0.000 0.000 0.283 278 A C -2.214 175.352 177.584 -0.030 0.000 1.127 278 A CA -1.514 50.513 52.037 -0.017 0.000 0.810 278 A CB -0.017 18.953 19.000 -0.051 0.000 1.066 278 A HN 0.404 nan 8.150 nan 0.000 0.492 279 P HA 0.416 nan 4.420 nan 0.000 0.275 279 P C 0.524 177.683 177.300 -0.234 0.000 1.276 279 P CA 1.352 64.375 63.100 -0.129 0.000 0.782 279 P CB 0.438 31.931 31.700 -0.344 0.000 0.851 280 G N 2.946 111.568 108.800 -0.298 0.000 2.396 280 G HA2 0.197 4.157 3.960 -0.000 0.000 0.254 280 G HA3 0.197 4.157 3.960 -0.000 0.000 0.254 280 G C -1.500 173.092 174.900 -0.513 0.000 1.248 280 G CA -0.659 43.992 45.100 -0.748 0.000 1.033 280 G HN 0.485 nan 8.290 nan 0.000 0.502 281 F N -2.049 117.916 119.950 0.024 0.000 2.672 281 F HA 0.725 5.252 4.527 -0.000 0.000 0.311 281 F C 0.872 176.687 175.800 0.024 0.000 1.113 281 F CA 0.035 58.050 58.000 0.024 0.000 0.996 281 F CB 0.846 39.864 39.000 0.029 0.000 1.286 281 F HN 2.396 nan 8.300 nan 0.000 0.441 282 G N 1.730 110.660 108.800 0.218 0.000 2.566 282 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.280 282 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.280 282 G C 0.253 175.198 174.900 0.075 0.000 1.225 282 G CA 0.731 45.916 45.100 0.141 0.000 0.966 282 G HN 0.809 nan 8.290 nan 0.000 0.560 283 D N 0.050 120.491 120.400 0.069 0.000 2.269 283 D HA 0.017 4.657 4.640 -0.000 0.000 0.208 283 D C 2.411 178.711 176.300 -0.000 0.000 0.963 283 D CA 0.825 54.843 54.000 0.030 0.000 0.864 283 D CB -0.119 40.702 40.800 0.035 0.000 0.936 283 D HN 0.420 nan 8.370 nan 0.000 0.505 284 R N 0.379 120.880 120.500 0.002 0.000 2.115 284 R HA -0.050 4.290 4.340 -0.000 0.000 0.230 284 R C 2.210 178.429 176.300 -0.135 0.000 1.111 284 R CA 0.741 56.799 56.100 -0.071 0.000 0.976 284 R CB 0.113 30.360 30.300 -0.089 0.000 0.870 284 R HN 0.078 nan 8.270 nan 0.000 0.445 285 R N 1.223 121.644 120.500 -0.131 0.000 2.082 285 R HA -0.182 4.158 4.340 -0.000 0.000 0.234 285 R C 1.729 177.961 176.300 -0.112 0.000 1.136 285 R CA 2.139 58.153 56.100 -0.144 0.000 0.935 285 R CB -0.081 30.165 30.300 -0.090 0.000 0.842 285 R HN 0.111 nan 8.270 nan 0.000 0.430 286 K N 0.233 120.591 120.400 -0.071 0.000 2.147 286 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 286 K C 2.156 178.715 176.600 -0.068 0.000 1.049 286 K CA 1.328 57.579 56.287 -0.059 0.000 0.936 286 K CB -0.203 32.277 32.500 -0.035 0.000 0.722 286 K HN 0.275 nan 8.250 nan 0.000 0.446 287 A N 1.716 124.494 122.820 -0.071 0.000 1.845 287 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 287 A C 2.225 179.753 177.584 -0.095 0.000 1.195 287 A CA 1.588 53.581 52.037 -0.073 0.000 0.616 287 A CB -0.484 18.474 19.000 -0.071 0.000 0.832 287 A HN 0.164 nan 8.150 nan 0.000 0.443 288 M N -1.412 118.112 119.600 -0.127 0.000 2.175 288 M HA -0.102 4.378 4.480 -0.000 0.000 0.264 288 M C 2.197 178.392 176.300 -0.176 0.000 1.063 288 M CA 1.159 56.364 55.300 -0.158 0.000 1.119 288 M CB -0.505 31.973 32.600 -0.203 0.000 1.377 288 M HN 0.452 nan 8.290 nan 0.000 0.415 289 L N 0.689 121.814 121.223 -0.163 0.000 2.083 289 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 289 L C 2.449 179.254 176.870 -0.108 0.000 1.083 289 L CA 1.861 56.609 54.840 -0.153 0.000 0.752 289 L CB -0.732 41.257 42.059 -0.117 0.000 0.899 289 L HN 0.257 nan 8.230 nan 0.000 0.433 290 Q N -0.190 119.560 119.800 -0.085 0.000 2.084 290 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 290 Q C 1.739 177.703 176.000 -0.060 0.000 0.978 290 Q CA 2.133 57.900 55.803 -0.061 0.000 0.844 290 Q CB -0.410 28.298 28.738 -0.050 0.000 0.898 290 Q HN 0.536 nan 8.270 nan 0.000 0.426 291 D N -0.171 120.185 120.400 -0.074 0.000 2.133 291 D HA -0.179 4.461 4.640 -0.000 0.000 0.195 291 D C 1.762 178.025 176.300 -0.061 0.000 0.997 291 D CA 1.623 55.583 54.000 -0.066 0.000 0.840 291 D CB -0.229 40.523 40.800 -0.079 0.000 0.947 291 D HN 0.403 nan 8.370 nan 0.000 0.452 292 I N 0.716 121.235 120.570 -0.085 0.000 2.315 292 I HA -0.230 3.940 4.170 -0.000 0.000 0.248 292 I C 2.411 178.509 176.117 -0.032 0.000 1.117 292 I CA 0.979 62.237 61.300 -0.069 0.000 1.404 292 I CB -0.241 37.686 38.000 -0.121 0.000 1.071 292 I HN -0.054 nan 8.210 nan 0.000 0.419 293 A N 0.543 123.343 122.820 -0.033 0.000 1.908 293 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 293 A C 2.410 179.990 177.584 -0.007 0.000 1.181 293 A CA 2.521 54.550 52.037 -0.013 0.000 0.627 293 A CB -1.175 17.815 19.000 -0.016 0.000 0.818 293 A HN 0.414 nan 8.150 nan 0.000 0.445 294 T N 0.030 114.575 114.554 -0.014 0.000 2.708 294 T HA -0.143 4.206 4.350 -0.000 0.000 0.266 294 T C 1.761 176.459 174.700 -0.004 0.000 1.037 294 T CA 1.512 63.606 62.100 -0.010 0.000 1.146 294 T CB -0.364 68.494 68.868 -0.016 0.000 0.865 294 T HN 0.311 nan 8.240 nan 0.000 0.435 295 L N 1.860 123.080 121.223 -0.005 0.000 2.362 295 L HA 0.027 4.367 4.340 -0.000 0.000 0.219 295 L C 2.159 179.034 176.870 0.008 0.000 1.134 295 L CA 1.606 56.447 54.840 0.001 0.000 0.807 295 L CB -0.640 41.421 42.059 0.004 0.000 0.927 295 L HN 0.439 nan 8.230 nan 0.000 0.447 296 T N -5.318 109.242 114.554 0.011 0.000 3.003 296 T HA 0.378 4.728 4.350 -0.000 0.000 0.261 296 T C 1.255 175.970 174.700 0.024 0.000 1.003 296 T CA 0.184 62.295 62.100 0.019 0.000 0.917 296 T CB 0.137 69.023 68.868 0.031 0.000 1.084 296 T HN 0.435 nan 8.240 nan 0.000 0.522 297 G N 0.732 109.544 108.800 0.020 0.000 2.225 297 G HA2 0.118 4.078 3.960 -0.000 0.000 0.264 297 G HA3 0.118 4.078 3.960 -0.000 0.000 0.264 297 G C 0.266 175.187 174.900 0.036 0.000 1.060 297 G CA -0.182 44.932 45.100 0.024 0.000 0.833 297 G HN 1.050 nan 8.290 nan 0.000 0.498 298 G N -1.610 107.209 108.800 0.032 0.000 2.644 298 G HA2 0.806 4.766 3.960 -0.000 0.000 0.307 298 G HA3 0.806 4.766 3.960 -0.000 0.000 0.307 298 G C -0.441 174.470 174.900 0.018 0.000 1.250 298 G CA 0.092 45.214 45.100 0.037 0.000 0.996 298 G HN 0.600 nan 8.290 nan 0.000 0.489 299 T N 0.372 114.935 114.554 0.015 0.000 2.823 299 T HA 0.420 4.770 4.350 -0.000 0.000 0.279 299 T C 0.156 174.856 174.700 -0.001 0.000 0.998 299 T CA -0.290 61.812 62.100 0.004 0.000 0.994 299 T CB 1.679 70.548 68.868 0.002 0.000 0.960 299 T HN 0.357 nan 8.240 nan 0.000 0.448 300 V N 4.262 124.171 119.914 -0.008 0.000 2.479 300 V HA 0.123 4.243 4.120 -0.000 0.000 0.281 300 V C 0.399 176.487 176.094 -0.010 0.000 1.031 300 V CA -0.268 62.025 62.300 -0.013 0.000 1.038 300 V CB -0.250 31.560 31.823 -0.021 0.000 0.981 300 V HN 0.734 nan 8.190 nan 0.000 0.478 301 I N 4.867 125.432 120.570 -0.009 0.000 2.243 301 I HA 0.094 4.264 4.170 -0.000 0.000 0.297 301 I C 0.845 176.956 176.117 -0.009 0.000 1.161 301 I CA 0.971 62.266 61.300 -0.009 0.000 1.298 301 I CB 0.674 38.669 38.000 -0.008 0.000 1.475 301 I HN 0.617 nan 8.210 nan 0.000 0.561 302 S N 4.328 120.022 115.700 -0.009 0.000 2.430 302 S HA 0.173 4.643 4.470 -0.000 0.000 0.289 302 S C 1.271 175.867 174.600 -0.007 0.000 1.143 302 S CA -0.508 57.686 58.200 -0.009 0.000 1.067 302 S CB 0.546 63.740 63.200 -0.010 0.000 0.964 302 S HN 0.690 nan 8.310 nan 0.000 0.485 303 E N 3.308 123.505 120.200 -0.005 0.000 2.153 303 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 303 E C 1.303 177.902 176.600 -0.003 0.000 0.988 303 E CA 1.248 57.646 56.400 -0.004 0.000 0.811 303 E CB 0.131 29.830 29.700 -0.002 0.000 0.746 303 E HN 0.838 nan 8.360 nan 0.000 0.466 304 E N 0.421 120.619 120.200 -0.003 0.000 2.077 304 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 304 E C 1.618 178.217 176.600 -0.003 0.000 0.989 304 E CA 1.218 57.617 56.400 -0.002 0.000 0.800 304 E CB -0.288 29.411 29.700 -0.001 0.000 0.746 304 E HN 0.437 nan 8.360 nan 0.000 0.452 305 I N -2.045 118.523 120.570 -0.004 0.000 3.595 305 I HA 0.417 4.587 4.170 -0.000 0.000 0.336 305 I C 0.446 176.561 176.117 -0.004 0.000 1.402 305 I CA -0.241 61.056 61.300 -0.004 0.000 1.223 305 I CB -0.304 37.693 38.000 -0.005 0.000 1.455 305 I HN 0.053 nan 8.210 nan 0.000 0.456 306 G N 2.697 111.494 108.800 -0.004 0.000 2.333 306 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.296 306 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.296 306 G C -0.345 174.552 174.900 -0.005 0.000 1.059 306 G CA 0.080 45.178 45.100 -0.004 0.000 1.050 306 G HN 0.577 nan 8.290 nan 0.000 0.508 307 M N -0.394 119.203 119.600 -0.005 0.000 2.386 307 M HA 0.376 4.856 4.480 -0.000 0.000 0.293 307 M C -0.247 176.049 176.300 -0.007 0.000 1.120 307 M CA -0.616 54.680 55.300 -0.007 0.000 0.909 307 M CB 2.332 34.928 32.600 -0.007 0.000 1.661 307 M HN 0.269 nan 8.290 nan 0.000 0.452 308 E N 1.443 121.638 120.200 -0.008 0.000 2.214 308 E HA 0.213 4.563 4.350 -0.000 0.000 0.274 308 E C 0.220 176.814 176.600 -0.010 0.000 0.977 308 E CA -0.573 55.822 56.400 -0.008 0.000 0.827 308 E CB 2.156 31.851 29.700 -0.008 0.000 1.130 308 E HN 0.494 nan 8.360 nan 0.000 0.394 309 L N 2.650 123.867 121.223 -0.010 0.000 2.201 309 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 309 L C 1.485 178.345 176.870 -0.016 0.000 1.105 309 L CA 1.818 56.651 54.840 -0.012 0.000 0.775 309 L CB -0.214 41.840 42.059 -0.010 0.000 0.913 309 L HN 0.577 nan 8.230 nan 0.000 0.440 310 E N -0.372 119.819 120.200 -0.015 0.000 2.230 310 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 310 E C 1.479 178.067 176.600 -0.020 0.000 0.987 310 E CA 0.796 57.185 56.400 -0.018 0.000 0.841 310 E CB -0.128 29.563 29.700 -0.015 0.000 0.783 310 E HN 0.586 nan 8.360 nan 0.000 0.481 311 K N 1.267 121.657 120.400 -0.018 0.000 2.505 311 K HA 0.271 4.591 4.320 -0.000 0.000 0.192 311 K C 0.517 177.104 176.600 -0.022 0.000 1.025 311 K CA 0.029 56.305 56.287 -0.018 0.000 1.086 311 K CB 0.346 32.838 32.500 -0.014 0.000 0.840 311 K HN -0.072 nan 8.250 nan 0.000 0.514 312 A N 1.548 124.352 122.820 -0.026 0.000 2.340 312 A HA 0.375 4.695 4.320 -0.000 0.000 0.268 312 A C 0.218 177.775 177.584 -0.045 0.000 1.100 312 A CA -0.244 51.774 52.037 -0.032 0.000 0.803 312 A CB 0.477 19.458 19.000 -0.031 0.000 1.043 312 A HN 0.498 nan 8.150 nan 0.000 0.488 313 T N -0.903 113.621 114.554 -0.051 0.000 2.773 313 T HA 0.510 4.860 4.350 -0.000 0.000 0.278 313 T C 1.033 175.672 174.700 -0.102 0.000 1.011 313 T CA -0.693 61.364 62.100 -0.071 0.000 1.014 313 T CB 0.432 69.269 68.868 -0.051 0.000 1.293 313 T HN 0.315 nan 8.240 nan 0.000 0.554 314 L N 0.230 121.366 121.223 -0.145 0.000 2.189 314 L HA -0.115 4.225 4.340 -0.000 0.000 0.214 314 L C 2.857 179.675 176.870 -0.087 0.000 1.097 314 L CA 1.805 56.511 54.840 -0.223 0.000 0.764 314 L CB -0.625 41.287 42.059 -0.245 0.000 0.900 314 L HN 0.866 nan 8.230 nan 0.000 0.436 315 E N 0.811 120.988 120.200 -0.039 0.000 2.086 315 E HA -0.267 4.083 4.350 -0.000 0.000 0.200 315 E C 1.481 178.089 176.600 0.014 0.000 1.012 315 E CA 2.018 58.419 56.400 0.001 0.000 0.812 315 E CB -0.046 29.652 29.700 -0.005 0.000 0.743 315 E HN 0.480 nan 8.360 nan 0.000 0.453 316 D N -0.177 120.221 120.400 -0.004 0.000 2.355 316 D HA -0.005 4.635 4.640 -0.000 0.000 0.218 316 D C 0.179 176.493 176.300 0.024 0.000 1.004 316 D CA 0.184 54.187 54.000 0.006 0.000 0.880 316 D CB 0.136 40.932 40.800 -0.007 0.000 0.911 316 D HN 0.265 nan 8.370 nan 0.000 0.528 317 L N 1.299 122.544 121.223 0.036 0.000 2.349 317 L HA 0.305 4.645 4.340 -0.000 0.000 0.275 317 L C 1.353 178.325 176.870 0.170 0.000 1.115 317 L CA -0.587 54.312 54.840 0.098 0.000 0.820 317 L CB 1.258 43.365 42.059 0.081 0.000 1.135 317 L HN -0.112 nan 8.230 nan 0.000 0.445 318 G N 2.366 111.251 108.800 0.142 0.000 2.616 318 G HA2 0.409 4.369 3.960 -0.000 0.000 0.268 318 G HA3 0.409 4.369 3.960 -0.000 0.000 0.268 318 G C -0.770 174.211 174.900 0.136 0.000 1.213 318 G CA -0.271 44.898 45.100 0.115 0.000 0.926 318 G HN 0.630 nan 8.290 nan 0.000 0.523 319 Q N -1.350 118.481 119.800 0.052 0.000 2.340 319 Q HA 0.579 4.919 4.340 -0.000 0.000 0.276 319 Q C -0.817 175.163 176.000 -0.034 0.000 1.048 319 Q CA -0.742 55.039 55.803 -0.037 0.000 0.832 319 Q CB 2.535 31.204 28.738 -0.115 0.000 1.373 319 Q HN 0.832 nan 8.270 nan 0.000 0.409 320 A N 1.139 123.927 122.820 -0.053 0.000 2.479 320 A HA 0.449 4.769 4.320 -0.000 0.000 0.296 320 A C -0.039 177.517 177.584 -0.046 0.000 1.121 320 A CA -0.574 51.446 52.037 -0.029 0.000 0.743 320 A CB 1.681 20.683 19.000 0.003 0.000 1.323 320 A HN 0.786 nan 8.150 nan 0.000 0.415 321 K N -0.508 119.874 120.400 -0.030 0.000 2.057 321 K HA 0.035 4.355 4.320 -0.000 0.000 0.206 321 K C 0.541 177.125 176.600 -0.026 0.000 1.050 321 K CA 1.262 57.530 56.287 -0.031 0.000 0.935 321 K CB 0.050 32.538 32.500 -0.021 0.000 0.715 321 K HN 0.610 nan 8.250 nan 0.000 0.439 322 R N -0.977 119.515 120.500 -0.014 0.000 2.692 322 R HA 0.352 4.692 4.340 -0.000 0.000 0.269 322 R C -1.982 174.321 176.300 0.004 0.000 1.030 322 R CA -0.743 55.352 56.100 -0.009 0.000 0.882 322 R CB 2.464 32.757 30.300 -0.011 0.000 1.250 322 R HN -0.113 nan 8.270 nan 0.000 0.465 323 V N 2.162 122.081 119.914 0.008 0.000 2.760 323 V HA 0.535 4.654 4.120 -0.000 0.000 0.309 323 V C -1.045 175.052 176.094 0.005 0.000 1.077 323 V CA -0.766 61.545 62.300 0.020 0.000 0.910 323 V CB 2.208 34.060 31.823 0.048 0.000 1.008 323 V HN 0.439 nan 8.190 nan 0.000 0.424 324 V N 5.998 125.908 119.914 -0.007 0.000 2.443 324 V HA 0.590 4.710 4.120 -0.000 0.000 0.293 324 V C -0.676 175.398 176.094 -0.033 0.000 1.021 324 V CA -0.310 61.978 62.300 -0.021 0.000 0.848 324 V CB 1.709 33.515 31.823 -0.029 0.000 0.998 324 V HN 0.728 nan 8.190 nan 0.000 0.424 325 I N 5.363 125.931 120.570 -0.003 0.000 2.447 325 I HA 0.526 4.696 4.170 -0.000 0.000 0.287 325 I C -0.193 175.960 176.117 0.061 0.000 1.023 325 I CA -0.388 60.917 61.300 0.008 0.000 1.083 325 I CB 1.985 40.044 38.000 0.098 0.000 1.245 325 I HN 0.798 nan 8.210 nan 0.000 0.434 326 N N 4.464 123.128 118.700 -0.062 0.000 2.815 326 N HA 0.350 5.090 4.740 -0.000 0.000 0.315 326 N C 0.584 175.764 175.510 -0.548 0.000 1.320 326 N CA -1.046 51.943 53.050 -0.101 0.000 0.846 326 N CB 0.651 39.095 38.487 -0.071 0.000 1.344 326 N HN 0.460 nan 8.380 nan 0.000 0.593 327 K N -1.234 118.794 120.400 -0.619 0.000 2.286 327 K HA -0.183 4.137 4.320 -0.000 0.000 0.203 327 K C -0.312 176.016 176.600 -0.453 0.000 1.045 327 K CA 1.773 57.605 56.287 -0.758 0.000 0.935 327 K CB -0.132 32.186 32.500 -0.303 0.000 0.737 327 K HN 0.573 nan 8.250 nan 0.000 0.460 328 D N -0.707 119.510 120.400 -0.306 0.000 2.504 328 D HA 0.016 4.656 4.640 -0.000 0.000 0.276 328 D C 0.189 176.372 176.300 -0.194 0.000 1.073 328 D CA 0.650 54.532 54.000 -0.198 0.000 0.905 328 D CB 0.974 41.697 40.800 -0.129 0.000 1.350 328 D HN 0.275 nan 8.370 nan 0.000 0.496 329 T N -0.911 113.509 114.554 -0.222 0.000 2.909 329 T HA 0.603 4.953 4.350 -0.000 0.000 0.299 329 T C -0.422 174.075 174.700 -0.338 0.000 1.073 329 T CA -0.629 61.310 62.100 -0.269 0.000 0.999 329 T CB 2.486 71.236 68.868 -0.196 0.000 1.098 329 T HN -0.315 nan 8.240 nan 0.000 0.477 330 T N 2.291 116.490 114.554 -0.591 0.000 2.829 330 T HA 0.682 5.032 4.350 -0.000 0.000 0.280 330 T C -0.562 173.832 174.700 -0.509 0.000 0.999 330 T CA -0.558 61.192 62.100 -0.584 0.000 0.983 330 T CB 1.535 69.931 68.868 -0.787 0.000 0.968 330 T HN 0.796 nan 8.240 nan 0.000 0.446 331 T N 3.163 117.594 114.554 -0.205 0.000 2.848 331 T HA 0.554 4.904 4.350 -0.000 0.000 0.285 331 T C -0.314 174.391 174.700 0.009 0.000 0.995 331 T CA -0.493 61.561 62.100 -0.076 0.000 0.970 331 T CB 0.795 69.626 68.868 -0.061 0.000 0.976 331 T HN 0.409 nan 8.240 nan 0.000 0.441 332 I N 3.640 124.250 120.570 0.067 0.000 2.328 332 I HA 0.390 4.560 4.170 -0.000 0.000 0.287 332 I C -0.291 175.850 176.117 0.040 0.000 1.012 332 I CA -0.588 60.754 61.300 0.069 0.000 1.195 332 I CB 0.935 38.999 38.000 0.107 0.000 1.350 332 I HN 0.525 nan 8.210 nan 0.000 0.464 333 I N 6.358 126.941 120.570 0.022 0.000 2.291 333 I HA 0.172 4.342 4.170 -0.000 0.000 0.292 333 I C -0.225 175.897 176.117 0.008 0.000 1.064 333 I CA -0.141 61.166 61.300 0.011 0.000 1.269 333 I CB 0.246 38.246 38.000 0.001 0.000 1.418 333 I HN 0.584 nan 8.210 nan 0.000 0.485 334 D N 5.123 125.529 120.400 0.009 0.000 3.908 334 D HA -0.117 4.523 4.640 -0.000 0.000 0.237 334 D C 0.198 176.499 176.300 0.001 0.000 1.091 334 D CA 0.951 54.953 54.000 0.003 0.000 1.147 334 D CB -0.161 40.638 40.800 -0.003 0.000 0.857 334 D HN 0.754 nan 8.370 nan 0.000 0.410 335 G N 0.919 109.722 108.800 0.006 0.000 2.562 335 G HA2 0.421 4.381 3.960 -0.000 0.000 0.275 335 G HA3 0.421 4.381 3.960 -0.000 0.000 0.275 335 G C 1.472 176.371 174.900 -0.003 0.000 1.196 335 G CA -0.166 44.936 45.100 0.004 0.000 0.908 335 G HN 0.337 nan 8.290 nan 0.000 0.524 336 V N 1.535 121.446 119.914 -0.005 0.000 2.233 336 V HA 0.023 4.143 4.120 -0.000 0.000 0.247 336 V C 2.127 178.221 176.094 -0.000 0.000 1.050 336 V CA 1.976 64.272 62.300 -0.006 0.000 1.010 336 V CB -1.474 30.346 31.823 -0.005 0.000 0.637 336 V HN 1.517 nan 8.190 nan 0.000 0.444 337 G N 1.706 110.508 108.800 0.004 0.000 2.561 337 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.214 337 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.214 337 G C -0.392 174.509 174.900 0.002 0.000 0.124 337 G CA 0.126 45.227 45.100 0.003 0.000 1.129 337 G HN 0.648 nan 8.290 nan 0.000 0.532 338 E N 1.993 122.194 120.200 0.003 0.000 2.585 338 E HA 0.183 4.533 4.350 -0.000 0.000 0.252 338 E C 1.218 177.818 176.600 -0.000 0.000 0.981 338 E CA 0.251 56.652 56.400 0.001 0.000 0.943 338 E CB 0.744 30.445 29.700 0.002 0.000 0.923 338 E HN 0.639 nan 8.360 nan 0.000 0.486 339 E N 3.766 123.966 120.200 -0.001 0.000 2.065 339 E HA -0.287 4.063 4.350 -0.000 0.000 0.201 339 E C 1.780 178.378 176.600 -0.002 0.000 1.016 339 E CA 2.065 58.464 56.400 -0.002 0.000 0.818 339 E CB -0.283 29.416 29.700 -0.002 0.000 0.749 339 E HN 0.605 nan 8.360 nan 0.000 0.453 340 A N 0.401 123.220 122.820 -0.002 0.000 1.933 340 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 340 A C 2.399 179.980 177.584 -0.004 0.000 1.175 340 A CA 2.233 54.269 52.037 -0.003 0.000 0.628 340 A CB -0.885 18.113 19.000 -0.002 0.000 0.814 340 A HN 0.363 nan 8.150 nan 0.000 0.444 341 A N -0.176 122.642 122.820 -0.003 0.000 1.969 341 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 341 A C 2.074 179.654 177.584 -0.006 0.000 1.169 341 A CA 1.357 53.391 52.037 -0.004 0.000 0.635 341 A CB -0.542 18.456 19.000 -0.003 0.000 0.810 341 A HN 0.506 nan 8.150 nan 0.000 0.445 342 I N -0.664 119.903 120.570 -0.006 0.000 2.090 342 I HA -0.319 3.851 4.170 -0.000 0.000 0.236 342 I C 2.683 178.794 176.117 -0.009 0.000 1.064 342 I CA 1.768 63.064 61.300 -0.007 0.000 1.324 342 I CB -0.487 37.510 38.000 -0.005 0.000 1.044 342 I HN 0.356 nan 8.210 nan 0.000 0.399 343 Q N 0.550 120.346 119.800 -0.007 0.000 2.291 343 Q HA -0.072 4.268 4.340 -0.000 0.000 0.205 343 Q C 2.235 178.230 176.000 -0.008 0.000 0.970 343 Q CA 1.226 57.024 55.803 -0.008 0.000 0.876 343 Q CB -0.299 28.435 28.738 -0.006 0.000 0.935 343 Q HN 0.644 nan 8.270 nan 0.000 0.455 344 G N 0.787 109.582 108.800 -0.008 0.000 2.404 344 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.215 344 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.215 344 G C 1.462 176.356 174.900 -0.011 0.000 1.174 344 G CA 0.148 45.243 45.100 -0.009 0.000 0.780 344 G HN 0.102 nan 8.290 nan 0.000 0.537 345 R N 0.208 120.700 120.500 -0.012 0.000 2.152 345 R HA 0.005 4.345 4.340 -0.000 0.000 0.232 345 R C 2.551 178.840 176.300 -0.018 0.000 1.117 345 R CA 0.832 56.922 56.100 -0.016 0.000 0.981 345 R CB -0.374 29.915 30.300 -0.018 0.000 0.870 345 R HN 0.339 nan 8.270 nan 0.000 0.451 346 V N 0.459 120.364 119.914 -0.016 0.000 2.283 346 V HA -0.146 3.974 4.120 -0.000 0.000 0.243 346 V C 2.371 178.456 176.094 -0.016 0.000 1.039 346 V CA 1.780 64.070 62.300 -0.017 0.000 1.016 346 V CB -0.714 31.101 31.823 -0.014 0.000 0.650 346 V HN 0.367 nan 8.190 nan 0.000 0.449 347 A N -1.033 121.779 122.820 -0.013 0.000 2.178 347 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 347 A C 2.166 179.742 177.584 -0.013 0.000 1.157 347 A CA 1.837 53.867 52.037 -0.012 0.000 0.689 347 A CB -0.425 18.569 19.000 -0.010 0.000 0.787 347 A HN 0.640 nan 8.150 nan 0.000 0.465 348 Q N -0.388 119.403 119.800 -0.015 0.000 2.061 348 Q HA 0.005 4.345 4.340 -0.000 0.000 0.195 348 Q C 1.863 177.851 176.000 -0.020 0.000 0.967 348 Q CA 1.015 56.808 55.803 -0.016 0.000 0.829 348 Q CB -0.120 28.608 28.738 -0.017 0.000 0.900 348 Q HN 0.676 nan 8.270 nan 0.000 0.450 349 I N 0.562 121.117 120.570 -0.024 0.000 2.493 349 I HA -0.223 3.947 4.170 -0.000 0.000 0.254 349 I C 2.634 178.734 176.117 -0.028 0.000 1.160 349 I CA 0.740 62.022 61.300 -0.030 0.000 1.445 349 I CB -0.299 37.681 38.000 -0.035 0.000 1.086 349 I HN 0.197 nan 8.210 nan 0.000 0.433 350 R N 0.827 121.314 120.500 -0.023 0.000 2.120 350 R HA -0.205 4.135 4.340 -0.000 0.000 0.234 350 R C 2.295 178.584 176.300 -0.018 0.000 1.123 350 R CA 1.326 57.414 56.100 -0.020 0.000 0.975 350 R CB -0.100 30.190 30.300 -0.016 0.000 0.866 350 R HN 0.399 nan 8.270 nan 0.000 0.446 351 Q N 0.102 119.892 119.800 -0.017 0.000 2.408 351 Q HA -0.078 4.262 4.340 -0.000 0.000 0.205 351 Q C 1.223 177.214 176.000 -0.016 0.000 0.919 351 Q CA 0.785 56.580 55.803 -0.014 0.000 0.932 351 Q CB 0.382 29.113 28.738 -0.012 0.000 1.058 351 Q HN 0.458 nan 8.270 nan 0.000 0.517 352 Q N 0.150 119.937 119.800 -0.022 0.000 2.230 352 Q HA -0.012 4.328 4.340 -0.000 0.000 0.202 352 Q C 1.987 177.970 176.000 -0.029 0.000 0.963 352 Q CA 1.153 56.940 55.803 -0.026 0.000 0.866 352 Q CB 0.100 28.818 28.738 -0.032 0.000 0.931 352 Q HN 0.452 nan 8.270 nan 0.000 0.452 353 I N 0.366 120.919 120.570 -0.029 0.000 2.439 353 I HA -0.181 3.989 4.170 -0.000 0.000 0.251 353 I C 2.080 178.186 176.117 -0.018 0.000 1.139 353 I CA 0.654 61.937 61.300 -0.029 0.000 1.438 353 I CB -0.237 37.746 38.000 -0.029 0.000 1.085 353 I HN 0.102 nan 8.210 nan 0.000 0.427 354 E N 1.737 121.928 120.200 -0.014 0.000 2.058 354 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 354 E C 1.614 178.211 176.600 -0.006 0.000 0.997 354 E CA 1.578 57.973 56.400 -0.008 0.000 0.801 354 E CB -0.150 29.546 29.700 -0.008 0.000 0.746 354 E HN 0.698 nan 8.360 nan 0.000 0.450 355 E N 0.142 120.337 120.200 -0.007 0.000 2.451 355 E HA 0.334 4.684 4.350 -0.000 0.000 0.194 355 E C -0.066 176.531 176.600 -0.005 0.000 1.027 355 E CA -0.195 56.203 56.400 -0.004 0.000 0.914 355 E CB 0.385 30.083 29.700 -0.004 0.000 1.054 355 E HN -0.047 nan 8.360 nan 0.000 0.461 356 A N 1.860 124.674 122.820 -0.009 0.000 2.484 356 A HA 0.121 4.441 4.320 -0.000 0.000 0.268 356 A C 1.106 178.691 177.584 0.003 0.000 1.114 356 A CA -0.063 51.967 52.037 -0.011 0.000 0.780 356 A CB -0.100 18.885 19.000 -0.024 0.000 1.061 356 A HN 0.308 nan 8.150 nan 0.000 0.505 357 T N 0.150 114.710 114.554 0.010 0.000 3.380 357 T HA 0.331 4.681 4.350 -0.000 0.000 0.250 357 T C 0.673 175.391 174.700 0.029 0.000 1.082 357 T CA 0.387 62.498 62.100 0.018 0.000 0.968 357 T CB -1.071 67.809 68.868 0.019 0.000 1.027 357 T HN 1.204 nan 8.240 nan 0.000 0.575 358 S N -0.574 115.145 115.700 0.032 0.000 3.319 358 S HA 0.344 4.814 4.470 -0.000 0.000 0.310 358 S C -0.596 174.033 174.600 0.048 0.000 1.223 358 S CA -0.595 57.634 58.200 0.048 0.000 1.189 358 S CB 0.522 63.766 63.200 0.074 0.000 1.514 358 S HN 0.030 nan 8.310 nan 0.000 0.554 359 D N -0.691 119.753 120.400 0.074 0.000 2.514 359 D HA 0.185 4.825 4.640 -0.000 0.000 0.249 359 D C 1.418 177.780 176.300 0.104 0.000 1.036 359 D CA 0.495 54.540 54.000 0.075 0.000 0.911 359 D CB -0.073 40.774 40.800 0.078 0.000 1.145 359 D HN 0.451 nan 8.370 nan 0.000 0.495 360 Y N 2.470 122.781 120.300 0.019 0.000 2.242 360 Y HA -0.090 4.460 4.550 -0.000 0.000 0.291 360 Y C 1.376 177.291 175.900 0.024 0.000 1.137 360 Y CA 1.335 59.450 58.100 0.025 0.000 1.181 360 Y CB -0.041 38.435 38.460 0.028 0.000 0.989 360 Y HN -0.208 nan 8.280 nan 0.000 0.527 361 D N -0.081 120.244 120.400 -0.125 0.000 2.392 361 D HA -0.065 4.575 4.640 -0.000 0.000 0.228 361 D C 1.756 177.972 176.300 -0.140 0.000 1.003 361 D CA 0.665 54.551 54.000 -0.189 0.000 0.917 361 D CB 0.023 40.790 40.800 -0.055 0.000 0.890 361 D HN 0.483 nan 8.370 nan 0.000 0.532 362 R N -0.043 120.396 120.500 -0.101 0.000 2.164 362 R HA 0.063 4.403 4.340 -0.000 0.000 0.198 362 R C 1.884 178.141 176.300 -0.073 0.000 1.028 362 R CA 0.121 56.182 56.100 -0.064 0.000 1.083 362 R CB 0.476 30.763 30.300 -0.021 0.000 1.026 362 R HN 0.037 nan 8.270 nan 0.000 0.514 363 E N 1.509 121.667 120.200 -0.070 0.000 2.005 363 E HA -0.252 4.098 4.350 -0.000 0.000 0.198 363 E C 1.759 178.314 176.600 -0.075 0.000 1.010 363 E CA 2.040 58.416 56.400 -0.040 0.000 0.825 363 E CB -0.060 29.659 29.700 0.032 0.000 0.769 363 E HN 0.262 nan 8.360 nan 0.000 0.456 364 K N 0.853 121.159 120.400 -0.157 0.000 2.211 364 K HA -0.149 4.171 4.320 -0.000 0.000 0.204 364 K C 2.025 178.553 176.600 -0.120 0.000 1.047 364 K CA 1.140 57.340 56.287 -0.146 0.000 0.935 364 K CB -0.127 32.220 32.500 -0.254 0.000 0.728 364 K HN 0.026 nan 8.250 nan 0.000 0.452 365 L N 2.341 123.488 121.223 -0.128 0.000 2.005 365 L HA -0.164 4.176 4.340 -0.000 0.000 0.207 365 L C 2.926 179.758 176.870 -0.063 0.000 1.072 365 L CA 2.134 56.917 54.840 -0.094 0.000 0.744 365 L CB -1.358 40.648 42.059 -0.089 0.000 0.895 365 L HN 0.570 nan 8.230 nan 0.000 0.433 366 Q N -0.510 119.258 119.800 -0.053 0.000 2.291 366 Q HA -0.202 4.138 4.340 -0.000 0.000 0.205 366 Q C 1.565 177.547 176.000 -0.030 0.000 0.970 366 Q CA 1.168 56.949 55.803 -0.037 0.000 0.876 366 Q CB -0.266 28.453 28.738 -0.032 0.000 0.935 366 Q HN 0.535 nan 8.270 nan 0.000 0.455 367 E N 1.193 121.374 120.200 -0.033 0.000 2.051 367 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 367 E C 2.143 178.729 176.600 -0.022 0.000 0.991 367 E CA 1.211 57.599 56.400 -0.021 0.000 0.799 367 E CB 0.057 29.747 29.700 -0.017 0.000 0.748 367 E HN 0.363 nan 8.360 nan 0.000 0.449 368 R N 0.253 120.730 120.500 -0.038 0.000 2.115 368 R HA -0.107 4.233 4.340 -0.000 0.000 0.230 368 R C 2.636 178.917 176.300 -0.031 0.000 1.111 368 R CA 1.194 57.270 56.100 -0.040 0.000 0.976 368 R CB -0.369 29.895 30.300 -0.059 0.000 0.870 368 R HN 0.204 nan 8.270 nan 0.000 0.445 369 V N -1.495 118.401 119.914 -0.030 0.000 2.427 369 V HA -0.082 4.038 4.120 -0.000 0.000 0.248 369 V C 2.093 178.177 176.094 -0.015 0.000 1.051 369 V CA 1.846 64.132 62.300 -0.023 0.000 1.048 369 V CB -0.646 31.162 31.823 -0.024 0.000 0.666 369 V HN 0.244 nan 8.190 nan 0.000 0.456 370 A N 0.373 123.185 122.820 -0.013 0.000 1.929 370 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 370 A C 2.280 179.864 177.584 -0.000 0.000 1.176 370 A CA 1.767 53.800 52.037 -0.006 0.000 0.628 370 A CB -0.538 18.458 19.000 -0.005 0.000 0.816 370 A HN 0.616 nan 8.150 nan 0.000 0.444 371 K N -0.527 119.874 120.400 0.002 0.000 2.097 371 K HA -0.024 4.296 4.320 -0.000 0.000 0.206 371 K C 1.628 178.233 176.600 0.009 0.000 1.049 371 K CA 1.358 57.653 56.287 0.013 0.000 0.933 371 K CB -0.256 32.254 32.500 0.016 0.000 0.717 371 K HN 0.466 nan 8.250 nan 0.000 0.442 372 L N -0.537 120.685 121.223 -0.002 0.000 2.298 372 L HA 0.049 4.389 4.340 -0.000 0.000 0.209 372 L C 2.062 178.930 176.870 -0.003 0.000 1.084 372 L CA 0.334 55.172 54.840 -0.004 0.000 0.816 372 L CB -0.160 41.891 42.059 -0.013 0.000 0.967 372 L HN 0.128 nan 8.230 nan 0.000 0.460 373 A N 0.112 122.929 122.820 -0.005 0.000 2.712 373 A HA 0.395 4.715 4.320 -0.000 0.000 0.211 373 A C 1.689 179.272 177.584 -0.002 0.000 1.877 373 A CA 0.721 52.755 52.037 -0.005 0.000 0.686 373 A CB -1.322 17.674 19.000 -0.007 0.000 1.308 373 A HN 0.243 nan 8.150 nan 0.000 0.498 374 G N -1.402 107.396 108.800 -0.002 0.000 3.107 374 G HA2 0.443 4.403 3.960 -0.000 0.000 0.155 374 G HA3 0.443 4.403 3.960 -0.000 0.000 0.155 374 G C 0.454 175.355 174.900 0.002 0.000 1.875 374 G CA 0.500 45.600 45.100 -0.001 0.000 1.004 374 G HN 1.288 nan 8.290 nan 0.000 0.480 375 G N -2.571 106.229 108.800 0.002 0.000 2.766 375 G HA2 0.512 4.472 3.960 -0.000 0.000 0.288 375 G HA3 0.512 4.472 3.960 -0.000 0.000 0.288 375 G C -2.027 172.875 174.900 0.004 0.000 1.408 375 G CA -0.301 44.802 45.100 0.004 0.000 0.852 375 G HN 0.676 nan 8.290 nan 0.000 0.487 376 V N -0.038 119.880 119.914 0.006 0.000 2.604 376 V HA 0.788 4.908 4.120 -0.000 0.000 0.305 376 V C -0.003 176.095 176.094 0.005 0.000 1.043 376 V CA -0.357 61.947 62.300 0.006 0.000 0.888 376 V CB 1.451 33.281 31.823 0.011 0.000 0.995 376 V HN 1.279 nan 8.190 nan 0.000 0.429 377 A N 4.546 127.369 122.820 0.005 0.000 2.365 377 A HA 0.916 5.236 4.320 -0.000 0.000 0.318 377 A C -1.230 176.359 177.584 0.007 0.000 1.091 377 A CA -0.560 51.480 52.037 0.005 0.000 0.763 377 A CB 1.953 20.956 19.000 0.004 0.000 1.248 377 A HN 0.665 nan 8.150 nan 0.000 0.442 378 V N 2.978 122.897 119.914 0.007 0.000 2.487 378 V HA 0.389 4.509 4.120 -0.000 0.000 0.298 378 V C -0.399 175.700 176.094 0.009 0.000 1.028 378 V CA -0.221 62.085 62.300 0.010 0.000 0.860 378 V CB 1.495 33.323 31.823 0.009 0.000 0.991 378 V HN 0.756 nan 8.190 nan 0.000 0.427 379 I N 4.761 125.338 120.570 0.013 0.000 2.315 379 I HA 0.371 4.541 4.170 -0.000 0.000 0.291 379 I C 0.173 176.298 176.117 0.012 0.000 1.006 379 I CA -0.359 60.948 61.300 0.012 0.000 1.265 379 I CB 1.099 39.108 38.000 0.016 0.000 1.387 379 I HN 0.508 nan 8.210 nan 0.000 0.475 380 K N 5.882 126.288 120.400 0.009 0.000 2.240 380 K HA 0.492 4.812 4.320 -0.000 0.000 0.271 380 K C -0.923 175.682 176.600 0.008 0.000 1.018 380 K CA -0.619 55.673 56.287 0.008 0.000 0.874 380 K CB 1.935 34.438 32.500 0.005 0.000 1.098 380 K HN 0.310 nan 8.250 nan 0.000 0.458 381 V N 2.172 122.092 119.914 0.009 0.000 2.465 381 V HA 0.384 4.504 4.120 -0.000 0.000 0.279 381 V C 0.700 176.797 176.094 0.006 0.000 1.045 381 V CA -0.848 61.456 62.300 0.008 0.000 0.938 381 V CB 1.372 33.201 31.823 0.010 0.000 0.986 381 V HN 0.898 nan 8.190 nan 0.000 0.467 382 G N 2.527 111.329 108.800 0.005 0.000 2.389 382 G HA2 0.798 4.758 3.960 -0.000 0.000 0.328 382 G HA3 0.798 4.758 3.960 -0.000 0.000 0.328 382 G C -0.594 174.308 174.900 0.003 0.000 1.133 382 G CA -0.030 45.072 45.100 0.003 0.000 0.891 382 G HN 1.255 nan 8.290 nan 0.000 0.485 383 A N 0.082 122.903 122.820 0.002 0.000 2.610 383 A HA 0.796 5.116 4.320 -0.000 0.000 0.291 383 A C 0.704 178.288 177.584 0.001 0.000 1.086 383 A CA 0.313 52.351 52.037 0.002 0.000 0.677 383 A CB 0.798 19.799 19.000 0.002 0.000 1.278 383 A HN 1.730 nan 8.150 nan 0.000 0.414 384 A N 0.023 122.843 122.820 0.000 0.000 1.874 384 A HA 0.346 4.666 4.320 -0.000 0.000 0.214 384 A C 1.556 179.140 177.584 0.000 0.000 1.189 384 A CA 2.525 54.562 52.037 -0.000 0.000 0.615 384 A CB -0.901 18.098 19.000 -0.001 0.000 0.830 384 A HN 1.780 nan 8.150 nan 0.000 0.443 385 T N -4.151 110.403 114.554 0.000 0.000 2.923 385 T HA 0.482 4.832 4.350 -0.000 0.000 0.282 385 T C 0.749 175.450 174.700 0.002 0.000 1.137 385 T CA 0.232 62.332 62.100 0.000 0.000 0.958 385 T CB 1.118 69.986 68.868 -0.001 0.000 1.961 385 T HN 0.205 nan 8.240 nan 0.000 0.586 386 E N -0.525 119.676 120.200 0.002 0.000 2.364 386 E HA 0.099 4.449 4.350 -0.000 0.000 0.203 386 E C 2.164 178.766 176.600 0.004 0.000 0.888 386 E CA 0.356 56.758 56.400 0.004 0.000 0.989 386 E CB 0.398 30.101 29.700 0.006 0.000 0.985 386 E HN 0.518 nan 8.360 nan 0.000 0.499 387 V N -0.381 119.534 119.914 0.002 0.000 2.626 387 V HA -0.163 3.957 4.120 -0.000 0.000 0.252 387 V C 2.057 178.151 176.094 0.001 0.000 1.067 387 V CA 2.000 64.300 62.300 0.000 0.000 1.081 387 V CB -0.520 31.301 31.823 -0.003 0.000 0.686 387 V HN 0.156 nan 8.190 nan 0.000 0.468 388 E N 0.004 120.204 120.200 0.000 0.000 2.072 388 E HA -0.208 4.142 4.350 -0.000 0.000 0.190 388 E C 2.114 178.715 176.600 0.002 0.000 0.982 388 E CA 1.353 57.753 56.400 0.000 0.000 0.803 388 E CB -0.192 29.508 29.700 -0.000 0.000 0.755 388 E HN 0.514 nan 8.360 nan 0.000 0.453 389 M N 1.253 120.855 119.600 0.003 0.000 2.108 389 M HA -0.190 4.290 4.480 -0.000 0.000 0.261 389 M C 1.762 178.066 176.300 0.006 0.000 1.066 389 M CA 1.757 57.060 55.300 0.005 0.000 1.107 389 M CB -0.028 32.576 32.600 0.006 0.000 1.356 389 M HN -0.088 nan 8.290 nan 0.000 0.406 390 K N -0.470 119.934 120.400 0.007 0.000 2.025 390 K HA -0.212 4.108 4.320 -0.000 0.000 0.207 390 K C 1.981 178.584 176.600 0.005 0.000 1.049 390 K CA 1.887 58.179 56.287 0.008 0.000 0.933 390 K CB -0.352 32.154 32.500 0.010 0.000 0.714 390 K HN 0.555 nan 8.250 nan 0.000 0.438 391 E N 1.658 121.859 120.200 0.003 0.000 2.106 391 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 391 E C 1.901 178.502 176.600 0.001 0.000 0.984 391 E CA 1.560 57.961 56.400 0.000 0.000 0.806 391 E CB 0.014 29.714 29.700 -0.001 0.000 0.750 391 E HN 0.060 nan 8.360 nan 0.000 0.458 392 K N 0.912 121.314 120.400 0.002 0.000 2.001 392 K HA -0.101 4.219 4.320 -0.000 0.000 0.208 392 K C 2.188 178.791 176.600 0.006 0.000 1.048 392 K CA 1.713 58.002 56.287 0.003 0.000 0.932 392 K CB -0.176 32.326 32.500 0.004 0.000 0.715 392 K HN 0.087 nan 8.250 nan 0.000 0.437 393 K N -0.229 120.176 120.400 0.007 0.000 2.074 393 K HA -0.160 4.160 4.320 -0.000 0.000 0.209 393 K C 1.919 178.525 176.600 0.009 0.000 1.048 393 K CA 1.424 57.718 56.287 0.011 0.000 0.926 393 K CB -0.270 32.237 32.500 0.012 0.000 0.713 393 K HN 0.269 nan 8.250 nan 0.000 0.444 394 A N 1.062 123.883 122.820 0.002 0.000 1.972 394 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 394 A C 2.057 179.634 177.584 -0.011 0.000 1.169 394 A CA 1.376 53.408 52.037 -0.008 0.000 0.635 394 A CB -0.350 18.644 19.000 -0.010 0.000 0.810 394 A HN 0.301 nan 8.150 nan 0.000 0.446 395 R N -0.875 119.624 120.500 -0.003 0.000 2.062 395 R HA -0.018 4.322 4.340 -0.000 0.000 0.226 395 R C 2.049 178.355 176.300 0.010 0.000 1.125 395 R CA 1.273 57.373 56.100 -0.000 0.000 0.966 395 R CB -0.391 29.909 30.300 0.001 0.000 0.861 395 R HN 0.382 nan 8.270 nan 0.000 0.433 396 V N 1.541 121.465 119.914 0.015 0.000 2.392 396 V HA -0.235 3.885 4.120 -0.000 0.000 0.249 396 V C 2.186 178.308 176.094 0.047 0.000 1.059 396 V CA 1.688 64.004 62.300 0.027 0.000 1.051 396 V CB -0.454 31.384 31.823 0.024 0.000 0.658 396 V HN 0.304 nan 8.190 nan 0.000 0.455 397 E N 0.109 120.334 120.200 0.042 0.000 2.077 397 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 397 E C 1.990 178.632 176.600 0.070 0.000 0.989 397 E CA 1.718 58.161 56.400 0.072 0.000 0.800 397 E CB -0.268 29.446 29.700 0.023 0.000 0.746 397 E HN 0.650 nan 8.360 nan 0.000 0.452 398 D N 0.275 120.670 120.400 -0.008 0.000 2.084 398 D HA -0.118 4.522 4.640 -0.000 0.000 0.194 398 D C 1.866 178.198 176.300 0.053 0.000 0.990 398 D CA 1.764 55.744 54.000 -0.032 0.000 0.826 398 D CB -0.155 40.626 40.800 -0.031 0.000 0.971 398 D HN 0.165 nan 8.370 nan 0.000 0.453 399 A N 0.673 123.525 122.820 0.053 0.000 1.908 399 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 399 A C 2.157 179.792 177.584 0.085 0.000 1.181 399 A CA 0.850 52.922 52.037 0.058 0.000 0.627 399 A CB -0.840 18.182 19.000 0.037 0.000 0.818 399 A HN 0.308 nan 8.150 nan 0.000 0.445 400 L N -0.739 120.548 121.223 0.107 0.000 2.051 400 L HA -0.266 4.074 4.340 -0.000 0.000 0.214 400 L C 2.387 179.320 176.870 0.105 0.000 1.076 400 L CA 2.699 57.601 54.840 0.103 0.000 0.758 400 L CB -1.084 41.045 42.059 0.116 0.000 0.890 400 L HN 0.550 nan 8.230 nan 0.000 0.433 401 H N -0.767 118.312 119.070 0.015 0.000 2.363 401 H HA 0.003 4.559 4.556 -0.000 0.000 0.301 401 H C 2.167 177.506 175.328 0.018 0.000 1.074 401 H CA 1.498 57.556 56.048 0.018 0.000 1.354 401 H CB -0.164 29.611 29.762 0.021 0.000 1.397 401 H HN 0.426 nan 8.280 nan 0.000 0.516 402 A N 0.159 123.071 122.820 0.152 0.000 1.930 402 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 402 A C 2.451 180.068 177.584 0.055 0.000 1.175 402 A CA 1.999 54.089 52.037 0.088 0.000 0.627 402 A CB -0.982 18.057 19.000 0.064 0.000 0.815 402 A HN 0.609 nan 8.150 nan 0.000 0.443 403 T N -2.098 112.484 114.554 0.046 0.000 2.777 403 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 403 T C 1.923 176.632 174.700 0.014 0.000 1.040 403 T CA 1.050 63.165 62.100 0.025 0.000 1.141 403 T CB -0.396 68.484 68.868 0.020 0.000 0.868 403 T HN 0.433 nan 8.240 nan 0.000 0.444 404 R N 1.308 121.811 120.500 0.005 0.000 2.152 404 R HA 0.116 4.456 4.340 -0.000 0.000 0.232 404 R C 2.761 179.059 176.300 -0.003 0.000 1.117 404 R CA 1.209 57.300 56.100 -0.016 0.000 0.981 404 R CB -0.663 29.600 30.300 -0.060 0.000 0.870 404 R HN 0.600 nan 8.270 nan 0.000 0.451 405 A N 0.933 123.763 122.820 0.017 0.000 1.898 405 A HA 0.064 4.384 4.320 -0.000 0.000 0.214 405 A C 2.358 179.953 177.584 0.018 0.000 1.183 405 A CA 1.156 53.207 52.037 0.024 0.000 0.622 405 A CB -0.368 18.658 19.000 0.043 0.000 0.824 405 A HN 0.310 nan 8.150 nan 0.000 0.444 406 A N -0.329 122.502 122.820 0.019 0.000 1.908 406 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 406 A C 2.202 179.791 177.584 0.009 0.000 1.181 406 A CA 1.867 53.913 52.037 0.014 0.000 0.627 406 A CB -1.002 18.007 19.000 0.015 0.000 0.818 406 A HN 0.382 nan 8.150 nan 0.000 0.445 407 V N 1.100 121.018 119.914 0.006 0.000 2.407 407 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 407 V C 2.512 178.607 176.094 0.002 0.000 1.055 407 V CA 2.368 64.670 62.300 0.003 0.000 1.049 407 V CB -0.859 30.964 31.823 -0.001 0.000 0.662 407 V HN 0.935 nan 8.190 nan 0.000 0.455 408 E N -0.468 119.733 120.200 0.002 0.000 2.442 408 E HA -0.079 4.271 4.350 -0.000 0.000 0.195 408 E C 1.583 178.186 176.600 0.004 0.000 1.030 408 E CA 0.960 57.361 56.400 0.002 0.000 0.869 408 E CB 0.130 29.830 29.700 0.001 0.000 0.857 408 E HN 0.661 nan 8.360 nan 0.000 0.505 409 E N -0.161 120.043 120.200 0.006 0.000 2.703 409 E HA 0.200 4.550 4.350 -0.000 0.000 0.214 409 E C 0.013 176.617 176.600 0.006 0.000 0.944 409 E CA 0.180 56.584 56.400 0.005 0.000 1.299 409 E CB 1.326 31.029 29.700 0.006 0.000 1.189 409 E HN 0.328 nan 8.360 nan 0.000 0.597 410 G N 0.763 109.568 108.800 0.007 0.000 2.728 410 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.294 410 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.294 410 G C -0.415 174.491 174.900 0.010 0.000 1.342 410 G CA -0.446 44.658 45.100 0.008 0.000 0.866 410 G HN 0.591 nan 8.290 nan 0.000 0.534 411 V N -2.566 117.353 119.914 0.010 0.000 3.074 411 V HA 1.003 5.123 4.120 -0.000 0.000 0.314 411 V C 0.596 176.698 176.094 0.012 0.000 1.117 411 V CA 0.196 62.503 62.300 0.012 0.000 1.014 411 V CB 1.407 33.237 31.823 0.012 0.000 1.057 411 V HN 2.535 nan 8.190 nan 0.000 0.438 412 V N -1.279 118.643 119.914 0.014 0.000 3.182 412 V HA 1.002 5.122 4.120 -0.000 0.000 0.308 412 V C 0.322 176.426 176.094 0.018 0.000 1.240 412 V CA -0.727 61.583 62.300 0.016 0.000 1.063 412 V CB 1.244 33.075 31.823 0.014 0.000 1.076 412 V HN 2.149 nan 8.190 nan 0.000 0.446 413 A N 0.982 123.815 122.820 0.022 0.000 2.522 413 A HA 0.646 4.966 4.320 -0.000 0.000 0.256 413 A C 0.922 178.518 177.584 0.021 0.000 1.086 413 A CA 0.605 52.656 52.037 0.024 0.000 0.763 413 A CB -0.630 18.390 19.000 0.033 0.000 1.024 413 A HN 2.043 nan 8.150 nan 0.000 0.502 414 G N 1.067 109.876 108.800 0.015 0.000 2.529 414 G HA2 0.488 4.447 3.960 -0.000 0.000 0.277 414 G HA3 0.488 4.447 3.960 -0.000 0.000 0.277 414 G C 1.225 176.136 174.900 0.017 0.000 1.383 414 G CA 0.065 45.173 45.100 0.013 0.000 1.050 414 G HN 2.269 nan 8.290 nan 0.000 0.526 415 G N -2.227 106.584 108.800 0.017 0.000 2.168 415 G HA2 0.197 4.157 3.960 -0.000 0.000 0.257 415 G HA3 0.197 4.157 3.960 -0.000 0.000 0.257 415 G C 1.495 176.418 174.900 0.038 0.000 0.997 415 G CA 1.129 46.247 45.100 0.030 0.000 0.708 415 G HN 2.520 nan 8.290 nan 0.000 0.520 416 G N -2.183 106.635 108.800 0.029 0.000 2.203 416 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.263 416 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.263 416 G C 1.682 176.602 174.900 0.033 0.000 1.012 416 G CA 1.716 46.833 45.100 0.029 0.000 0.749 416 G HN 2.124 nan 8.290 nan 0.000 0.512 417 V N -0.679 119.257 119.914 0.036 0.000 2.407 417 V HA 0.268 4.388 4.120 -0.000 0.000 0.245 417 V C 2.883 179.000 176.094 0.038 0.000 1.041 417 V CA 2.267 64.593 62.300 0.043 0.000 1.040 417 V CB -0.532 31.321 31.823 0.050 0.000 0.671 417 V HN 1.448 nan 8.190 nan 0.000 0.455 418 A N 0.511 123.350 122.820 0.031 0.000 1.896 418 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 418 A C 2.168 179.765 177.584 0.022 0.000 1.206 418 A CA 2.660 54.713 52.037 0.026 0.000 0.647 418 A CB -1.032 17.980 19.000 0.020 0.000 0.828 418 A HN 0.563 nan 8.150 nan 0.000 0.455 419 L N -0.994 120.241 121.223 0.020 0.000 2.042 419 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 419 L C 2.390 179.271 176.870 0.020 0.000 1.076 419 L CA 1.686 56.536 54.840 0.017 0.000 0.749 419 L CB -0.668 41.400 42.059 0.015 0.000 0.893 419 L HN 0.439 nan 8.230 nan 0.000 0.432 420 I N -1.424 119.161 120.570 0.026 0.000 2.361 420 I HA -0.289 3.881 4.170 -0.000 0.000 0.251 420 I C 2.441 178.575 176.117 0.028 0.000 1.133 420 I CA 0.821 62.138 61.300 0.028 0.000 1.413 420 I CB -0.122 37.899 38.000 0.036 0.000 1.073 420 I HN 0.173 nan 8.210 nan 0.000 0.424 421 R N -0.093 120.426 120.500 0.031 0.000 2.073 421 R HA -0.063 4.277 4.340 -0.000 0.000 0.229 421 R C 2.317 178.629 176.300 0.021 0.000 1.120 421 R CA 1.646 57.764 56.100 0.031 0.000 0.967 421 R CB -1.282 29.039 30.300 0.034 0.000 0.862 421 R HN 0.436 nan 8.270 nan 0.000 0.436 422 V N -0.842 119.082 119.914 0.017 0.000 2.626 422 V HA -0.002 4.118 4.120 -0.000 0.000 0.252 422 V C 2.012 178.112 176.094 0.010 0.000 1.067 422 V CA 1.755 64.061 62.300 0.011 0.000 1.081 422 V CB -0.771 31.057 31.823 0.007 0.000 0.686 422 V HN 0.176 nan 8.190 nan 0.000 0.468 423 A N 1.563 124.391 122.820 0.012 0.000 1.978 423 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 423 A C 2.547 180.137 177.584 0.010 0.000 1.170 423 A CA 2.560 54.603 52.037 0.010 0.000 0.636 423 A CB -0.947 18.061 19.000 0.012 0.000 0.810 423 A HN 0.983 nan 8.150 nan 0.000 0.448 424 S N -0.341 115.366 115.700 0.012 0.000 2.425 424 S HA -0.034 4.436 4.470 -0.000 0.000 0.225 424 S C 1.736 176.341 174.600 0.008 0.000 1.024 424 S CA 0.910 59.116 58.200 0.010 0.000 0.951 424 S CB -0.242 62.966 63.200 0.013 0.000 0.796 424 S HN 0.599 nan 8.310 nan 0.000 0.498 425 K N 1.277 121.682 120.400 0.009 0.000 2.147 425 K HA 0.096 4.416 4.320 -0.000 0.000 0.205 425 K C 1.310 177.913 176.600 0.005 0.000 1.049 425 K CA 0.998 57.289 56.287 0.006 0.000 0.936 425 K CB -0.423 32.081 32.500 0.007 0.000 0.722 425 K HN 0.429 nan 8.250 nan 0.000 0.446 426 L N 0.359 121.585 121.223 0.005 0.000 2.629 426 L HA 0.170 4.510 4.340 -0.000 0.000 0.230 426 L C 1.946 178.818 176.870 0.003 0.000 1.151 426 L CA -0.352 54.490 54.840 0.003 0.000 0.924 426 L CB -0.165 41.895 42.059 0.003 0.000 1.137 426 L HN 0.056 nan 8.230 nan 0.000 0.457 427 A N 0.046 122.868 122.820 0.004 0.000 2.032 427 A HA -0.205 4.115 4.320 -0.000 0.000 0.221 427 A C 1.505 179.090 177.584 0.002 0.000 1.165 427 A CA 1.734 53.773 52.037 0.003 0.000 0.645 427 A CB -0.215 18.787 19.000 0.003 0.000 0.807 427 A HN 0.346 nan 8.150 nan 0.000 0.453 428 D N -1.279 119.122 120.400 0.002 0.000 2.368 428 D HA 0.229 4.869 4.640 -0.000 0.000 0.218 428 D C -0.235 176.066 176.300 0.002 0.000 1.112 428 D CA -0.262 53.739 54.000 0.001 0.000 0.834 428 D CB 0.085 40.885 40.800 0.001 0.000 0.953 428 D HN 0.272 nan 8.370 nan 0.000 0.505 429 L N 1.546 122.771 121.223 0.002 0.000 2.416 429 L HA 0.221 4.561 4.340 -0.000 0.000 0.272 429 L C 0.205 177.076 176.870 0.002 0.000 1.161 429 L CA 0.450 55.291 54.840 0.002 0.000 0.845 429 L CB 0.223 42.283 42.059 0.002 0.000 1.119 429 L HN -0.191 nan 8.230 nan 0.000 0.464 430 R N 2.721 123.222 120.500 0.002 0.000 2.836 430 R HA 0.704 5.044 4.340 -0.000 0.000 0.269 430 R C -0.355 175.946 176.300 0.002 0.000 1.010 430 R CA -0.517 55.584 56.100 0.002 0.000 0.930 430 R CB 1.584 31.885 30.300 0.002 0.000 1.218 430 R HN 0.789 nan 8.270 nan 0.000 0.473 431 G N -0.343 108.459 108.800 0.003 0.000 2.971 431 G HA2 0.210 4.170 3.960 -0.000 0.000 0.235 431 G HA3 0.210 4.170 3.960 -0.000 0.000 0.235 431 G C 0.067 174.969 174.900 0.003 0.000 1.351 431 G CA -0.310 44.792 45.100 0.003 0.000 1.039 431 G HN 0.432 nan 8.290 nan 0.000 0.563 432 Q N -0.127 119.675 119.800 0.003 0.000 2.378 432 Q HA 0.082 4.422 4.340 -0.000 0.000 0.205 432 Q C 0.506 176.507 176.000 0.003 0.000 0.954 432 Q CA 0.711 56.516 55.803 0.003 0.000 0.901 432 Q CB 0.021 28.762 28.738 0.004 0.000 0.981 432 Q HN 0.604 nan 8.270 nan 0.000 0.483 433 N N -1.836 116.866 118.700 0.003 0.000 3.116 433 N HA -0.033 4.707 4.740 -0.000 0.000 0.244 433 N C 0.040 175.552 175.510 0.003 0.000 1.485 433 N CA -0.272 52.780 53.050 0.003 0.000 0.884 433 N CB 0.995 39.484 38.487 0.003 0.000 1.415 433 N HN -0.246 nan 8.380 nan 0.000 0.524 434 E N 0.316 120.518 120.200 0.003 0.000 2.118 434 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 434 E C 0.616 177.218 176.600 0.003 0.000 0.992 434 E CA 1.843 58.244 56.400 0.003 0.000 0.804 434 E CB -0.306 29.395 29.700 0.002 0.000 0.741 434 E HN 0.529 nan 8.360 nan 0.000 0.458 435 D N 0.148 120.551 120.400 0.004 0.000 2.117 435 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 435 D C 1.884 178.187 176.300 0.005 0.000 0.987 435 D CA 1.020 55.022 54.000 0.004 0.000 0.829 435 D CB -0.255 40.548 40.800 0.005 0.000 0.961 435 D HN 0.386 nan 8.370 nan 0.000 0.460 436 Q N 0.077 119.880 119.800 0.005 0.000 2.226 436 Q HA -0.107 4.233 4.340 -0.000 0.000 0.204 436 Q C 1.686 177.689 176.000 0.005 0.000 0.975 436 Q CA 0.665 56.471 55.803 0.005 0.000 0.866 436 Q CB -0.018 28.723 28.738 0.005 0.000 0.915 436 Q HN 0.267 nan 8.270 nan 0.000 0.440 437 N N 0.137 118.839 118.700 0.004 0.000 2.106 437 N HA -0.112 4.628 4.740 -0.000 0.000 0.188 437 N C 1.894 177.406 175.510 0.004 0.000 1.029 437 N CA 0.964 54.016 53.050 0.003 0.000 0.848 437 N CB -0.440 38.049 38.487 0.003 0.000 1.007 437 N HN 0.018 nan 8.380 nan 0.000 0.423 438 V N 1.070 120.987 119.914 0.004 0.000 2.392 438 V HA -0.186 3.934 4.120 -0.000 0.000 0.249 438 V C 2.401 178.498 176.094 0.005 0.000 1.059 438 V CA 2.025 64.328 62.300 0.004 0.000 1.051 438 V CB -1.316 30.510 31.823 0.004 0.000 0.658 438 V HN 0.370 nan 8.190 nan 0.000 0.455 439 G N -0.111 108.692 108.800 0.006 0.000 2.476 439 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 439 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 439 G C 1.564 176.467 174.900 0.006 0.000 1.164 439 G CA 1.279 46.383 45.100 0.006 0.000 0.768 439 G HN 0.496 nan 8.290 nan 0.000 0.560 440 I N 0.057 120.630 120.570 0.005 0.000 2.113 440 I HA -0.111 4.059 4.170 -0.000 0.000 0.238 440 I C 2.778 178.898 176.117 0.005 0.000 1.070 440 I CA 1.205 62.507 61.300 0.005 0.000 1.332 440 I CB -0.132 37.870 38.000 0.004 0.000 1.044 440 I HN -0.018 nan 8.210 nan 0.000 0.402 441 K N 0.559 120.961 120.400 0.004 0.000 2.113 441 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 441 K C 1.927 178.530 176.600 0.005 0.000 1.047 441 K CA 1.095 57.385 56.287 0.005 0.000 0.928 441 K CB -0.808 31.695 32.500 0.004 0.000 0.716 441 K HN 0.136 nan 8.250 nan 0.000 0.446 442 V N 0.469 120.387 119.914 0.006 0.000 2.287 442 V HA -0.301 3.818 4.120 -0.000 0.000 0.248 442 V C 2.185 178.284 176.094 0.007 0.000 1.053 442 V CA 2.119 64.423 62.300 0.007 0.000 1.027 442 V CB -0.734 31.093 31.823 0.007 0.000 0.646 442 V HN 0.406 nan 8.190 nan 0.000 0.447 443 A N -0.441 122.383 122.820 0.007 0.000 1.902 443 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 443 A C 2.177 179.765 177.584 0.007 0.000 1.181 443 A CA 1.762 53.804 52.037 0.007 0.000 0.623 443 A CB -0.510 18.494 19.000 0.006 0.000 0.818 443 A HN 0.511 nan 8.150 nan 0.000 0.443 444 L N -1.302 119.925 121.223 0.006 0.000 1.989 444 L HA -0.197 4.143 4.340 -0.000 0.000 0.211 444 L C 2.777 179.651 176.870 0.008 0.000 1.071 444 L CA 1.906 56.750 54.840 0.006 0.000 0.749 444 L CB -0.562 41.501 42.059 0.006 0.000 0.890 444 L HN 0.352 nan 8.230 nan 0.000 0.431 445 R N -0.066 120.438 120.500 0.007 0.000 2.159 445 R HA -0.167 4.173 4.340 -0.000 0.000 0.237 445 R C 2.229 178.533 176.300 0.008 0.000 1.131 445 R CA 1.283 57.387 56.100 0.007 0.000 0.982 445 R CB -0.178 30.126 30.300 0.006 0.000 0.868 445 R HN 0.418 nan 8.270 nan 0.000 0.453 446 A N -0.205 122.621 122.820 0.009 0.000 1.975 446 A HA -0.058 4.262 4.320 -0.000 0.000 0.215 446 A C 1.976 179.567 177.584 0.011 0.000 1.170 446 A CA 0.636 52.679 52.037 0.010 0.000 0.656 446 A CB -0.191 18.816 19.000 0.011 0.000 0.821 446 A HN 0.260 nan 8.150 nan 0.000 0.449 447 M N -0.260 119.347 119.600 0.011 0.000 2.346 447 M HA -0.173 4.307 4.480 -0.000 0.000 0.263 447 M C 1.558 177.866 176.300 0.014 0.000 1.064 447 M CA 1.232 56.539 55.300 0.012 0.000 1.083 447 M CB -0.251 32.355 32.600 0.010 0.000 1.399 447 M HN 0.466 nan 8.290 nan 0.000 0.435 448 E N -0.240 119.967 120.200 0.013 0.000 2.418 448 E HA -0.088 4.262 4.350 -0.000 0.000 0.197 448 E C 1.939 178.547 176.600 0.013 0.000 1.026 448 E CA 0.645 57.053 56.400 0.014 0.000 0.862 448 E CB 0.005 29.711 29.700 0.011 0.000 0.799 448 E HN 0.527 nan 8.360 nan 0.000 0.518 449 A N 1.926 124.754 122.820 0.013 0.000 1.898 449 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 449 A C -0.371 177.221 177.584 0.014 0.000 1.181 449 A CA 0.766 52.810 52.037 0.012 0.000 0.620 449 A CB -1.181 17.827 19.000 0.012 0.000 0.819 449 A HN 0.117 nan 8.150 nan 0.000 0.442 450 P HA -0.189 nan 4.420 nan 0.000 0.215 450 P C 1.826 179.140 177.300 0.022 0.000 1.157 450 P CA 0.849 63.961 63.100 0.020 0.000 0.874 450 P CB -0.137 31.576 31.700 0.021 0.000 0.790 451 L N -0.553 120.685 121.223 0.024 0.000 2.012 451 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 451 L C 2.295 179.175 176.870 0.017 0.000 1.073 451 L CA 2.035 56.893 54.840 0.029 0.000 0.748 451 L CB -0.517 41.561 42.059 0.032 0.000 0.891 451 L HN -0.099 nan 8.230 nan 0.000 0.431 452 R N -0.785 119.720 120.500 0.009 0.000 2.105 452 R HA -0.191 4.149 4.340 -0.000 0.000 0.239 452 R C 2.350 178.651 176.300 0.001 0.000 1.135 452 R CA 1.409 57.508 56.100 -0.001 0.000 0.967 452 R CB -0.129 30.170 30.300 -0.001 0.000 0.861 452 R HN 0.443 nan 8.270 nan 0.000 0.442 453 Q N 0.307 120.112 119.800 0.009 0.000 2.096 453 Q HA -0.021 4.319 4.340 -0.000 0.000 0.197 453 Q C 2.159 178.168 176.000 0.015 0.000 0.964 453 Q CA 1.236 57.045 55.803 0.010 0.000 0.838 453 Q CB -0.057 28.689 28.738 0.012 0.000 0.906 453 Q HN 0.360 nan 8.270 nan 0.000 0.444 454 I N -0.013 120.571 120.570 0.023 0.000 2.113 454 I HA -0.322 3.848 4.170 -0.000 0.000 0.242 454 I C 2.263 178.407 176.117 0.045 0.000 1.064 454 I CA 1.169 62.491 61.300 0.036 0.000 1.320 454 I CB -0.409 37.620 38.000 0.049 0.000 1.028 454 I HN -0.015 nan 8.210 nan 0.000 0.406 455 V N 0.425 120.359 119.914 0.034 0.000 2.490 455 V HA -0.258 3.862 4.120 -0.000 0.000 0.250 455 V C 2.282 178.378 176.094 0.002 0.000 1.061 455 V CA 1.633 63.939 62.300 0.010 0.000 1.064 455 V CB -0.420 31.357 31.823 -0.077 0.000 0.670 455 V HN 0.371 nan 8.190 nan 0.000 0.461 456 L N 0.301 121.524 121.223 0.001 0.000 2.109 456 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 456 L C 2.006 178.880 176.870 0.007 0.000 1.086 456 L CA 1.849 56.688 54.840 -0.000 0.000 0.760 456 L CB -0.694 41.364 42.059 -0.001 0.000 0.910 456 L HN 0.359 nan 8.230 nan 0.000 0.437 457 N N -1.814 116.893 118.700 0.012 0.000 2.519 457 N HA -0.169 4.571 4.740 -0.000 0.000 0.186 457 N C 1.269 176.789 175.510 0.017 0.000 1.062 457 N CA 0.964 54.022 53.050 0.013 0.000 0.910 457 N CB -0.168 38.327 38.487 0.013 0.000 0.958 457 N HN 0.409 nan 8.380 nan 0.000 0.445 458 C N -0.307 119.008 119.300 0.025 0.000 2.697 458 C HA 0.275 4.735 4.460 -0.000 0.000 0.267 458 C C 1.701 176.704 174.990 0.022 0.000 1.278 458 C CA 0.016 59.053 59.018 0.032 0.000 1.708 458 C CB -0.888 26.892 27.740 0.067 0.000 1.860 458 C HN 0.632 nan 8.230 nan 0.000 0.589 459 G N 1.455 110.263 108.800 0.013 0.000 2.143 459 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.248 459 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.248 459 G C -0.317 174.586 174.900 0.005 0.000 0.991 459 G CA 0.231 45.336 45.100 0.008 0.000 0.689 459 G HN 0.614 nan 8.290 nan 0.000 0.522 460 E N 0.028 120.229 120.200 0.001 0.000 2.281 460 E HA 0.453 4.803 4.350 -0.000 0.000 0.262 460 E C -0.187 176.392 176.600 -0.035 0.000 0.933 460 E CA -0.920 55.471 56.400 -0.015 0.000 0.809 460 E CB 0.970 30.659 29.700 -0.019 0.000 1.242 460 E HN 0.329 nan 8.360 nan 0.000 0.418 461 E N 2.368 122.542 120.200 -0.042 0.000 2.220 461 E HA 0.030 4.380 4.350 -0.000 0.000 0.272 461 E C -1.930 174.634 176.600 -0.059 0.000 1.099 461 E CA -1.372 55.004 56.400 -0.039 0.000 0.907 461 E CB 0.643 30.327 29.700 -0.028 0.000 1.022 461 E HN 0.278 nan 8.360 nan 0.000 0.428 462 P HA -0.101 nan 4.420 nan 0.000 0.219 462 P C 1.338 178.611 177.300 -0.046 0.000 1.154 462 P CA 0.796 63.864 63.100 -0.052 0.000 0.826 462 P CB 0.221 31.904 31.700 -0.029 0.000 0.795 463 S N -0.510 115.172 115.700 -0.030 0.000 2.402 463 S HA -0.079 4.391 4.470 -0.000 0.000 0.229 463 S C 2.066 176.651 174.600 -0.024 0.000 1.021 463 S CA 0.973 59.160 58.200 -0.021 0.000 0.974 463 S CB -1.769 61.422 63.200 -0.014 0.000 0.800 463 S HN -0.069 nan 8.310 nan 0.000 0.484 464 V N 1.637 121.534 119.914 -0.029 0.000 2.358 464 V HA -0.111 4.009 4.120 -0.000 0.000 0.246 464 V C 2.565 178.644 176.094 -0.025 0.000 1.047 464 V CA 1.402 63.688 62.300 -0.022 0.000 1.035 464 V CB -0.629 31.185 31.823 -0.015 0.000 0.658 464 V HN 0.414 nan 8.190 nan 0.000 0.452 465 V N 0.110 119.983 119.914 -0.068 0.000 2.307 465 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 465 V C 2.686 178.769 176.094 -0.019 0.000 1.045 465 V CA 2.006 64.257 62.300 -0.082 0.000 1.024 465 V CB -1.021 30.596 31.823 -0.344 0.000 0.651 465 V HN 0.559 nan 8.190 nan 0.000 0.449 466 A N 0.364 123.167 122.820 -0.028 0.000 1.865 466 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 466 A C 2.043 179.629 177.584 0.002 0.000 1.191 466 A CA 2.291 54.326 52.037 -0.003 0.000 0.623 466 A CB -0.885 18.112 19.000 -0.005 0.000 0.826 466 A HN 0.582 nan 8.150 nan 0.000 0.444 467 N N -0.181 118.514 118.700 -0.007 0.000 2.049 467 N HA -0.189 4.551 4.740 -0.000 0.000 0.198 467 N C 1.989 177.490 175.510 -0.015 0.000 1.030 467 N CA 2.616 55.660 53.050 -0.009 0.000 0.870 467 N CB -0.942 37.536 38.487 -0.014 0.000 1.045 467 N HN 0.732 nan 8.380 nan 0.000 0.434 468 T N -1.915 112.615 114.554 -0.040 0.000 2.951 468 T HA 0.018 4.368 4.350 -0.000 0.000 0.268 468 T C 1.983 176.671 174.700 -0.020 0.000 1.073 468 T CA 0.871 62.916 62.100 -0.093 0.000 1.134 468 T CB -0.536 68.174 68.868 -0.263 0.000 0.884 468 T HN -0.042 nan 8.240 nan 0.000 0.479 469 V N 1.616 121.544 119.914 0.023 0.000 2.427 469 V HA -0.046 4.074 4.120 -0.000 0.000 0.248 469 V C 2.703 178.876 176.094 0.132 0.000 1.051 469 V CA 1.646 64.009 62.300 0.105 0.000 1.048 469 V CB -0.492 31.382 31.823 0.085 0.000 0.666 469 V HN 0.528 nan 8.190 nan 0.000 0.456 470 K N 0.313 120.754 120.400 0.067 0.000 2.288 470 K HA -0.006 4.314 4.320 -0.000 0.000 0.201 470 K C 2.100 178.722 176.600 0.035 0.000 1.048 470 K CA 0.997 57.313 56.287 0.049 0.000 0.956 470 K CB -0.349 32.167 32.500 0.026 0.000 0.746 470 K HN 0.545 nan 8.250 nan 0.000 0.461 471 G N 1.239 110.056 108.800 0.027 0.000 2.509 471 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.218 471 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.218 471 G C 0.738 175.618 174.900 -0.034 0.000 1.124 471 G CA 0.534 45.629 45.100 -0.009 0.000 0.776 471 G HN 0.340 nan 8.290 nan 0.000 0.547 472 G N -1.013 107.801 108.800 0.023 0.000 2.543 472 G HA2 0.526 4.486 3.960 -0.000 0.000 0.267 472 G HA3 0.526 4.486 3.960 -0.000 0.000 0.267 472 G C -1.090 173.812 174.900 0.003 0.000 1.406 472 G CA -0.457 44.603 45.100 -0.066 0.000 1.048 472 G HN 0.117 nan 8.290 nan 0.000 0.548 473 D N -2.203 118.200 120.400 0.004 0.000 2.579 473 D HA 0.492 5.132 4.640 -0.000 0.000 0.257 473 D C 0.922 177.265 176.300 0.072 0.000 1.176 473 D CA 0.531 54.547 54.000 0.026 0.000 0.914 473 D CB 1.740 42.529 40.800 -0.018 0.000 1.431 473 D HN 0.837 nan 8.370 nan 0.000 0.454 474 G N 1.445 110.279 108.800 0.056 0.000 2.690 474 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.334 474 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.334 474 G C 0.415 175.367 174.900 0.088 0.000 1.250 474 G CA 0.821 45.957 45.100 0.060 0.000 0.994 474 G HN 0.647 nan 8.290 nan 0.000 0.549 475 N N -0.192 118.568 118.700 0.100 0.000 2.251 475 N HA 0.292 5.032 4.740 -0.000 0.000 0.217 475 N C -0.125 175.478 175.510 0.154 0.000 1.124 475 N CA -0.279 52.832 53.050 0.102 0.000 0.843 475 N CB 0.343 38.872 38.487 0.071 0.000 1.024 475 N HN 0.447 nan 8.380 nan 0.000 0.501 476 Y N 1.368 121.694 120.300 0.043 0.000 2.442 476 Y HA 0.416 4.966 4.550 -0.000 0.000 0.330 476 Y C 0.590 176.547 175.900 0.096 0.000 1.129 476 Y CA 0.110 58.248 58.100 0.064 0.000 1.365 476 Y CB 0.373 38.860 38.460 0.045 0.000 1.233 476 Y HN -0.006 nan 8.280 nan 0.000 0.529 477 G N 3.961 112.597 108.800 -0.274 0.000 2.663 477 G HA2 0.247 4.207 3.960 -0.000 0.000 0.299 477 G HA3 0.247 4.207 3.960 -0.000 0.000 0.299 477 G C -2.447 172.408 174.900 -0.075 0.000 1.372 477 G CA -0.920 44.088 45.100 -0.154 0.000 0.781 477 G HN 0.500 nan 8.290 nan 0.000 0.491 478 Y N 1.457 121.701 120.300 -0.093 0.000 2.320 478 Y HA 0.565 5.115 4.550 -0.000 0.000 0.334 478 Y C 0.023 175.823 175.900 -0.167 0.000 1.055 478 Y CA -1.394 56.598 58.100 -0.179 0.000 1.143 478 Y CB 1.478 39.846 38.460 -0.153 0.000 1.193 478 Y HN 0.419 nan 8.280 nan 0.000 0.477 479 N N 4.614 122.903 118.700 -0.686 0.000 2.527 479 N HA 0.235 4.975 4.740 -0.000 0.000 0.236 479 N C 0.254 175.276 175.510 -0.813 0.000 0.999 479 N CA 0.412 53.143 53.050 -0.533 0.000 0.935 479 N CB 1.322 39.597 38.487 -0.353 0.000 1.132 479 N HN 0.873 nan 8.380 nan 0.000 0.511 480 A N 3.868 126.393 122.820 -0.492 0.000 1.969 480 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 480 A C 2.080 179.528 177.584 -0.226 0.000 1.169 480 A CA 1.645 53.497 52.037 -0.308 0.000 0.635 480 A CB -0.634 18.355 19.000 -0.018 0.000 0.810 480 A HN 0.711 nan 8.150 nan 0.000 0.445 481 A N -0.255 122.451 122.820 -0.190 0.000 1.865 481 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 481 A C 2.392 179.885 177.584 -0.151 0.000 1.191 481 A CA 2.660 54.618 52.037 -0.132 0.000 0.623 481 A CB -1.219 17.718 19.000 -0.104 0.000 0.826 481 A HN 0.860 nan 8.150 nan 0.000 0.444 482 T N -4.268 110.159 114.554 -0.210 0.000 3.060 482 T HA 0.274 4.624 4.350 -0.000 0.000 0.249 482 T C 0.385 174.950 174.700 -0.224 0.000 1.079 482 T CA 0.864 62.855 62.100 -0.181 0.000 1.013 482 T CB -0.180 68.595 68.868 -0.156 0.000 0.975 482 T HN 0.567 nan 8.240 nan 0.000 0.518 483 E N 1.214 121.195 120.200 -0.365 0.000 2.791 483 E HA -0.175 4.175 4.350 -0.000 0.000 0.271 483 E C -0.187 176.195 176.600 -0.363 0.000 1.044 483 E CA 0.991 57.176 56.400 -0.358 0.000 0.814 483 E CB -1.286 28.357 29.700 -0.096 0.000 1.400 483 E HN 0.972 nan 8.360 nan 0.000 0.423 484 E N -0.813 119.091 120.200 -0.492 0.000 2.393 484 E HA 0.491 4.841 4.350 -0.000 0.000 0.273 484 E C -0.722 175.636 176.600 -0.403 0.000 0.918 484 E CA -0.970 55.231 56.400 -0.331 0.000 0.773 484 E CB 0.994 30.631 29.700 -0.105 0.000 1.275 484 E HN 0.046 nan 8.360 nan 0.000 0.451 485 Y N 0.249 120.538 120.300 -0.019 0.000 2.298 485 Y HA 0.647 5.197 4.550 0.000 0.000 0.329 485 Y C 1.102 176.956 175.900 -0.076 0.000 1.293 485 Y CA 0.799 58.835 58.100 -0.107 0.000 1.388 485 Y CB 1.685 40.073 38.460 -0.120 0.000 1.309 485 Y HN 0.862 nan 8.280 nan 0.000 0.544 486 G N 0.434 109.241 108.800 0.011 0.000 2.325 486 G HA2 0.025 3.985 3.960 -0.000 0.000 0.295 486 G HA3 0.025 3.985 3.960 -0.000 0.000 0.295 486 G C -1.997 172.966 174.900 0.106 0.000 1.274 486 G CA -1.153 44.016 45.100 0.116 0.000 0.857 486 G HN 0.546 nan 8.290 nan 0.000 0.499 487 N N 0.994 119.765 118.700 0.118 0.000 2.420 487 N HA 0.160 4.900 4.740 -0.000 0.000 0.249 487 N C 1.588 177.126 175.510 0.047 0.000 1.033 487 N CA -0.574 52.540 53.050 0.106 0.000 0.944 487 N CB 0.947 39.493 38.487 0.098 0.000 1.113 487 N HN 0.372 nan 8.380 nan 0.000 0.502 488 M N 3.335 122.956 119.600 0.035 0.000 2.159 488 M HA -0.129 4.351 4.480 -0.000 0.000 0.263 488 M C 1.544 177.851 176.300 0.011 0.000 1.063 488 M CA 0.986 56.292 55.300 0.009 0.000 1.110 488 M CB -0.535 32.071 32.600 0.010 0.000 1.374 488 M HN 0.537 nan 8.290 nan 0.000 0.411 489 I N 0.300 120.884 120.570 0.023 0.000 2.394 489 I HA -0.221 3.949 4.170 -0.000 0.000 0.251 489 I C 1.786 177.912 176.117 0.015 0.000 1.136 489 I CA 1.252 62.563 61.300 0.018 0.000 1.425 489 I CB -1.401 36.612 38.000 0.022 0.000 1.079 489 I HN 0.224 nan 8.210 nan 0.000 0.425 490 D N 0.680 121.092 120.400 0.019 0.000 2.149 490 D HA -0.063 4.577 4.640 -0.000 0.000 0.201 490 D C 2.250 178.554 176.300 0.006 0.000 0.972 490 D CA 0.978 54.987 54.000 0.016 0.000 0.835 490 D CB -0.034 40.781 40.800 0.025 0.000 0.966 490 D HN 0.304 nan 8.370 nan 0.000 0.476 491 M N -0.738 118.862 119.600 0.000 0.000 2.659 491 M HA 0.143 4.623 4.480 -0.000 0.000 0.243 491 M C 1.203 177.494 176.300 -0.017 0.000 1.111 491 M CA 0.707 55.999 55.300 -0.015 0.000 1.070 491 M CB 0.368 32.949 32.600 -0.031 0.000 1.525 491 M HN 0.062 nan 8.290 nan 0.000 0.517 492 G N 1.906 110.701 108.800 -0.008 0.000 2.143 492 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.249 492 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.249 492 G C 0.175 175.070 174.900 -0.009 0.000 0.981 492 G CA -0.258 44.838 45.100 -0.007 0.000 0.665 492 G HN 0.539 nan 8.290 nan 0.000 0.528 493 I N 1.989 122.551 120.570 -0.013 0.000 2.213 493 I HA 0.300 4.470 4.170 -0.000 0.000 0.295 493 I C 0.603 176.719 176.117 -0.002 0.000 1.172 493 I CA -0.048 61.243 61.300 -0.014 0.000 1.443 493 I CB -0.193 37.791 38.000 -0.026 0.000 1.491 493 I HN 0.079 nan 8.210 nan 0.000 0.652 494 L N 3.206 124.430 121.223 0.002 0.000 2.307 494 L HA 0.605 4.945 4.340 -0.000 0.000 0.284 494 L C -0.540 176.336 176.870 0.010 0.000 1.023 494 L CA -0.948 53.897 54.840 0.008 0.000 0.810 494 L CB 1.211 43.275 42.059 0.009 0.000 1.231 494 L HN 0.203 nan 8.230 nan 0.000 0.423 495 D N 2.623 123.031 120.400 0.013 0.000 2.193 495 D HA 0.420 5.060 4.640 -0.000 0.000 0.249 495 D C -2.478 173.832 176.300 0.017 0.000 1.034 495 D CA -1.457 52.553 54.000 0.016 0.000 0.902 495 D CB 1.796 42.606 40.800 0.017 0.000 1.182 495 D HN 0.259 nan 8.370 nan 0.000 0.436 496 P HA 0.168 nan 4.420 nan 0.000 0.279 496 P C 0.616 177.926 177.300 0.017 0.000 1.239 496 P CA -0.293 62.819 63.100 0.020 0.000 0.789 496 P CB 0.797 32.513 31.700 0.027 0.000 0.933 497 T N 1.631 116.193 114.554 0.013 0.000 2.674 497 T HA -0.191 4.159 4.350 -0.000 0.000 0.265 497 T C 1.636 176.339 174.700 0.004 0.000 1.039 497 T CA 1.366 63.470 62.100 0.007 0.000 1.150 497 T CB -0.498 68.373 68.868 0.004 0.000 0.864 497 T HN 0.495 nan 8.240 nan 0.000 0.427 498 K N 0.849 121.254 120.400 0.007 0.000 2.107 498 K HA -0.198 4.122 4.320 -0.000 0.000 0.211 498 K C 2.383 178.991 176.600 0.014 0.000 1.049 498 K CA 1.929 58.221 56.287 0.008 0.000 0.927 498 K CB -0.525 31.987 32.500 0.021 0.000 0.714 498 K HN 0.320 nan 8.250 nan 0.000 0.452 499 V N -0.190 119.740 119.914 0.027 0.000 2.358 499 V HA -0.179 3.941 4.120 -0.000 0.000 0.246 499 V C 1.758 177.864 176.094 0.019 0.000 1.047 499 V CA 2.441 64.762 62.300 0.035 0.000 1.035 499 V CB -0.721 31.130 31.823 0.046 0.000 0.658 499 V HN 0.405 nan 8.190 nan 0.000 0.452 500 T N 0.693 115.253 114.554 0.010 0.000 2.708 500 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 500 T C 2.048 176.738 174.700 -0.017 0.000 1.037 500 T CA 1.884 63.986 62.100 0.003 0.000 1.146 500 T CB -0.454 68.417 68.868 0.005 0.000 0.865 500 T HN 0.505 nan 8.240 nan 0.000 0.435 501 R N 1.182 121.664 120.500 -0.030 0.000 2.082 501 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 501 R C 2.564 178.790 176.300 -0.122 0.000 1.136 501 R CA 1.995 58.058 56.100 -0.063 0.000 0.935 501 R CB -0.842 29.424 30.300 -0.056 0.000 0.842 501 R HN 0.301 nan 8.270 nan 0.000 0.430 502 S N 0.675 116.299 115.700 -0.127 0.000 2.370 502 S HA -0.143 4.327 4.470 -0.000 0.000 0.226 502 S C 2.053 176.557 174.600 -0.160 0.000 1.033 502 S CA 1.266 59.318 58.200 -0.245 0.000 1.011 502 S CB -0.369 62.802 63.200 -0.048 0.000 0.852 502 S HN 0.582 nan 8.310 nan 0.000 0.457 503 A N 1.848 124.666 122.820 -0.004 0.000 1.884 503 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 503 A C 2.126 179.714 177.584 0.007 0.000 1.197 503 A CA 1.540 53.607 52.037 0.050 0.000 0.637 503 A CB -0.971 18.054 19.000 0.041 0.000 0.827 503 A HN 0.457 nan 8.150 nan 0.000 0.450 504 L N -0.741 120.459 121.223 -0.038 0.000 1.994 504 L HA -0.259 4.081 4.340 -0.000 0.000 0.208 504 L C 2.823 179.653 176.870 -0.067 0.000 1.071 504 L CA 2.359 57.177 54.840 -0.038 0.000 0.745 504 L CB -0.841 41.195 42.059 -0.038 0.000 0.892 504 L HN 0.571 nan 8.230 nan 0.000 0.431 505 Q N -1.089 118.610 119.800 -0.168 0.000 2.045 505 Q HA -0.270 4.070 4.340 -0.000 0.000 0.206 505 Q C 2.057 177.987 176.000 -0.117 0.000 0.991 505 Q CA 2.259 57.937 55.803 -0.209 0.000 0.851 505 Q CB -0.308 28.206 28.738 -0.373 0.000 0.911 505 Q HN 0.483 nan 8.270 nan 0.000 0.418 506 Y N -0.076 120.231 120.300 0.012 0.000 2.163 506 Y HA -0.150 4.400 4.550 -0.000 0.000 0.288 506 Y C 2.406 178.313 175.900 0.011 0.000 1.136 506 Y CA 0.733 58.840 58.100 0.011 0.000 1.147 506 Y CB -1.098 37.369 38.460 0.012 0.000 0.987 506 Y HN 0.138 nan 8.280 nan 0.000 0.509 507 A N 0.274 123.190 122.820 0.159 0.000 1.908 507 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 507 A C 2.523 180.149 177.584 0.070 0.000 1.181 507 A CA 2.302 54.396 52.037 0.095 0.000 0.627 507 A CB -1.280 17.757 19.000 0.063 0.000 0.818 507 A HN 0.407 nan 8.150 nan 0.000 0.445 508 A N -0.871 121.980 122.820 0.052 0.000 1.877 508 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 508 A C 2.481 180.092 177.584 0.045 0.000 1.186 508 A CA 2.239 54.297 52.037 0.035 0.000 0.620 508 A CB -1.115 17.894 19.000 0.015 0.000 0.822 508 A HN 0.630 nan 8.150 nan 0.000 0.443 509 S N -0.389 115.350 115.700 0.066 0.000 2.365 509 S HA -0.188 4.281 4.470 -0.000 0.000 0.221 509 S C 1.966 176.604 174.600 0.063 0.000 1.037 509 S CA 2.357 60.602 58.200 0.074 0.000 1.060 509 S CB -0.795 62.479 63.200 0.123 0.000 0.974 509 S HN 0.455 nan 8.310 nan 0.000 0.427 510 V N 2.373 122.329 119.914 0.071 0.000 2.261 510 V HA -0.082 4.037 4.120 -0.000 0.000 0.246 510 V C 2.935 179.052 176.094 0.038 0.000 1.047 510 V CA 1.853 64.183 62.300 0.048 0.000 1.015 510 V CB -1.719 30.129 31.823 0.042 0.000 0.642 510 V HN 0.634 nan 8.190 nan 0.000 0.446 511 A N 0.876 123.720 122.820 0.039 0.000 2.019 511 A HA -0.005 4.315 4.320 -0.000 0.000 0.219 511 A C 2.365 179.964 177.584 0.026 0.000 1.164 511 A CA 1.757 53.812 52.037 0.030 0.000 0.644 511 A CB -1.215 17.802 19.000 0.028 0.000 0.805 511 A HN 0.559 nan 8.150 nan 0.000 0.449 512 G N 0.038 108.855 108.800 0.028 0.000 2.459 512 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.217 512 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.217 512 G C 1.560 176.474 174.900 0.023 0.000 1.183 512 G CA 1.056 46.170 45.100 0.024 0.000 0.776 512 G HN 0.422 nan 8.290 nan 0.000 0.552 513 L N -0.494 120.744 121.223 0.025 0.000 2.012 513 L HA -0.069 4.271 4.340 -0.000 0.000 0.210 513 L C 2.965 179.848 176.870 0.022 0.000 1.073 513 L CA 1.459 56.313 54.840 0.024 0.000 0.748 513 L CB -0.266 41.808 42.059 0.025 0.000 0.891 513 L HN 0.279 nan 8.230 nan 0.000 0.431 514 M N 0.057 119.670 119.600 0.022 0.000 2.149 514 M HA -0.227 4.253 4.480 -0.000 0.000 0.261 514 M C 2.015 178.326 176.300 0.019 0.000 1.064 514 M CA 1.807 57.120 55.300 0.021 0.000 1.102 514 M CB -0.136 32.477 32.600 0.021 0.000 1.369 514 M HN 0.310 nan 8.290 nan 0.000 0.408 515 I N -2.763 117.818 120.570 0.018 0.000 3.291 515 I HA -0.032 4.138 4.170 -0.000 0.000 0.279 515 I C 1.592 177.719 176.117 0.016 0.000 1.294 515 I CA 1.148 62.458 61.300 0.016 0.000 1.428 515 I CB -1.063 36.946 38.000 0.015 0.000 1.070 515 I HN 0.242 nan 8.210 nan 0.000 0.478 516 T N -2.504 112.061 114.554 0.018 0.000 3.188 516 T HA 0.161 4.511 4.350 -0.000 0.000 0.250 516 T C 0.696 175.410 174.700 0.023 0.000 1.077 516 T CA -0.226 61.886 62.100 0.020 0.000 0.967 516 T CB -0.885 67.996 68.868 0.020 0.000 1.006 516 T HN 0.205 nan 8.240 nan 0.000 0.552 517 T N 2.654 117.221 114.554 0.021 0.000 2.779 517 T HA 0.261 4.611 4.350 -0.000 0.000 0.296 517 T C 0.756 175.471 174.700 0.025 0.000 0.938 517 T CA -0.168 61.944 62.100 0.021 0.000 1.119 517 T CB 1.352 70.229 68.868 0.015 0.000 0.891 517 T HN 0.350 nan 8.240 nan 0.000 0.526 518 E N 1.408 121.632 120.200 0.039 0.000 2.465 518 E HA 0.204 4.554 4.350 -0.000 0.000 0.209 518 E C -0.008 176.646 176.600 0.089 0.000 0.951 518 E CA -0.077 56.364 56.400 0.070 0.000 0.997 518 E CB 0.494 30.247 29.700 0.089 0.000 1.025 518 E HN 0.607 nan 8.360 nan 0.000 0.500 519 C N 0.219 119.531 119.300 0.021 0.000 3.082 519 C HA 0.736 5.196 4.460 -0.000 0.000 0.324 519 C C -1.620 173.303 174.990 -0.111 0.000 1.210 519 C CA -0.713 58.239 59.018 -0.112 0.000 1.366 519 C CB 0.543 28.235 27.740 -0.079 0.000 1.756 519 C HN 0.285 nan 8.230 nan 0.000 0.485 520 M N 4.605 124.107 119.600 -0.163 0.000 2.393 520 M HA 0.573 5.053 4.480 -0.000 0.000 0.299 520 M C -1.244 175.100 176.300 0.075 0.000 1.103 520 M CA -0.569 54.738 55.300 0.013 0.000 0.910 520 M CB 2.227 34.912 32.600 0.141 0.000 1.659 520 M HN 0.401 nan 8.290 nan 0.000 0.445 521 V N 1.567 121.513 119.914 0.053 0.000 2.409 521 V HA 0.667 4.787 4.120 -0.000 0.000 0.290 521 V C -0.366 175.703 176.094 -0.043 0.000 1.017 521 V CA -0.347 61.958 62.300 0.008 0.000 0.841 521 V CB 1.741 33.551 31.823 -0.020 0.000 1.003 521 V HN 0.959 nan 8.190 nan 0.000 0.426 522 T N 2.179 116.660 114.554 -0.122 0.000 2.841 522 T HA 0.449 4.799 4.350 -0.000 0.000 0.296 522 T C -1.015 173.565 174.700 -0.199 0.000 1.166 522 T CA -0.528 61.440 62.100 -0.221 0.000 1.007 522 T CB 1.900 70.504 68.868 -0.439 0.000 1.253 522 T HN 0.584 nan 8.240 nan 0.000 0.511 523 D N 1.303 121.598 120.400 -0.175 0.000 2.362 523 D HA 0.278 4.918 4.640 -0.000 0.000 0.238 523 D C 0.204 176.414 176.300 -0.149 0.000 1.212 523 D CA 0.131 54.053 54.000 -0.130 0.000 0.902 523 D CB 0.322 41.061 40.800 -0.100 0.000 1.180 523 D HN 0.377 nan 8.370 nan 0.000 0.445 524 L N 2.265 123.433 121.223 -0.091 0.000 2.417 524 L HA 0.252 4.592 4.340 -0.000 0.000 0.268 524 L C -1.420 175.410 176.870 -0.067 0.000 1.158 524 L CA -1.522 53.276 54.840 -0.069 0.000 0.819 524 L CB 0.392 42.431 42.059 -0.033 0.000 1.112 524 L HN 0.338 nan 8.230 nan 0.000 0.458 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.075 63.100 -0.041 0.000 0.800 525 P CB 0.000 31.689 31.700 -0.018 0.000 0.726