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 2c7c_1_C DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.579 177.584 -0.008 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 3 A N 1.260 124.079 122.820 -0.002 0.000 2.407 3 A HA 0.603 4.924 4.320 0.001 0.000 0.248 3 A C 0.259 177.845 177.584 0.002 0.000 1.082 3 A CA -0.064 51.975 52.037 0.003 0.000 0.785 3 A CB 0.110 19.116 19.000 0.011 0.000 1.020 3 A HN 0.629 nan 8.150 nan 0.000 0.489 4 K N 0.824 121.229 120.400 0.008 0.000 2.109 4 K HA 0.398 4.718 4.320 0.001 0.000 0.243 4 K C -0.744 175.889 176.600 0.055 0.000 1.006 4 K CA -0.456 55.839 56.287 0.014 0.000 0.917 4 K CB 1.035 33.539 32.500 0.007 0.000 1.081 4 K HN 0.805 nan 8.250 nan 0.000 0.468 5 D N -0.029 120.438 120.400 0.111 0.000 2.374 5 D HA 0.463 5.104 4.640 0.001 0.000 0.239 5 D C -1.403 175.046 176.300 0.248 0.000 0.991 5 D CA -0.680 53.433 54.000 0.188 0.000 0.960 5 D CB 1.580 42.537 40.800 0.261 0.000 1.284 5 D HN 0.198 nan 8.370 nan 0.000 0.512 6 V N -0.965 119.044 119.914 0.159 0.000 2.709 6 V HA 0.746 4.867 4.120 0.001 0.000 0.308 6 V C -0.992 175.068 176.094 -0.056 0.000 1.062 6 V CA -0.721 61.611 62.300 0.053 0.000 0.901 6 V CB 1.681 33.462 31.823 -0.070 0.000 1.003 6 V HN 0.462 nan 8.190 nan 0.000 0.425 7 K N 4.054 124.368 120.400 -0.143 0.000 2.513 7 K HA 0.652 4.973 4.320 0.001 0.000 0.251 7 K C -1.695 174.777 176.600 -0.213 0.000 0.939 7 K CA -0.350 55.816 56.287 -0.201 0.000 0.793 7 K CB 2.605 34.823 32.500 -0.471 0.000 1.241 7 K HN 0.642 nan 8.250 nan 0.000 0.431 8 F N 0.341 120.267 119.950 -0.040 0.000 2.403 8 F HA 0.329 4.857 4.527 0.001 0.000 0.326 8 F C 1.734 177.522 175.800 -0.021 0.000 1.081 8 F CA 0.721 58.712 58.000 -0.015 0.000 1.041 8 F CB 1.172 40.164 39.000 -0.014 0.000 1.234 8 F HN 0.858 nan 8.300 nan 0.000 0.503 9 G N 1.706 110.629 108.800 0.204 0.000 2.868 9 G HA2 -0.563 3.398 3.960 0.001 0.000 0.368 9 G HA3 -0.563 3.398 3.960 0.001 0.000 0.368 9 G C 1.343 176.284 174.900 0.069 0.000 1.209 9 G CA 1.767 46.939 45.100 0.121 0.000 1.065 9 G HN 0.785 nan 8.290 nan 0.000 0.679 10 N N 1.009 119.741 118.700 0.054 0.000 2.004 10 N HA -0.066 4.675 4.740 0.001 0.000 0.196 10 N C 1.890 177.405 175.510 0.009 0.000 1.064 10 N CA 2.553 55.617 53.050 0.024 0.000 0.855 10 N CB -0.536 37.959 38.487 0.013 0.000 1.056 10 N HN 0.548 nan 8.380 nan 0.000 0.423 11 D N -0.311 120.084 120.400 -0.009 0.000 2.182 11 D HA -0.093 4.548 4.640 0.001 0.000 0.201 11 D C 1.781 178.032 176.300 -0.081 0.000 0.986 11 D CA 1.338 55.297 54.000 -0.068 0.000 0.847 11 D CB -0.420 40.309 40.800 -0.118 0.000 0.942 11 D HN 0.492 nan 8.370 nan 0.000 0.467 12 A N 0.946 123.747 122.820 -0.032 0.000 1.824 12 A HA -0.193 4.128 4.320 0.001 0.000 0.215 12 A C 2.124 179.733 177.584 0.041 0.000 1.209 12 A CA 1.501 53.550 52.037 0.021 0.000 0.614 12 A CB -0.578 18.445 19.000 0.038 0.000 0.852 12 A HN 0.084 nan 8.150 nan 0.000 0.447 13 R N -0.773 119.749 120.500 0.036 0.000 2.120 13 R HA -0.062 4.279 4.340 0.001 0.000 0.234 13 R C 2.029 178.346 176.300 0.029 0.000 1.123 13 R CA 1.235 57.356 56.100 0.035 0.000 0.975 13 R CB -0.565 29.755 30.300 0.032 0.000 0.866 13 R HN 0.403 nan 8.270 nan 0.000 0.446 14 V N 1.472 121.397 119.914 0.019 0.000 2.261 14 V HA -0.265 3.856 4.120 0.001 0.000 0.246 14 V C 2.310 178.418 176.094 0.024 0.000 1.047 14 V CA 1.682 63.991 62.300 0.015 0.000 1.015 14 V CB -0.336 31.488 31.823 0.002 0.000 0.642 14 V HN 0.224 nan 8.190 nan 0.000 0.446 15 K N -0.649 119.770 120.400 0.030 0.000 2.057 15 K HA -0.116 4.205 4.320 0.001 0.000 0.206 15 K C 2.126 178.773 176.600 0.077 0.000 1.050 15 K CA 1.641 57.967 56.287 0.064 0.000 0.935 15 K CB -0.506 32.057 32.500 0.104 0.000 0.715 15 K HN 0.437 nan 8.250 nan 0.000 0.439 16 M N 0.650 120.296 119.600 0.077 0.000 2.080 16 M HA -0.222 4.259 4.480 0.001 0.000 0.260 16 M C 2.129 178.454 176.300 0.041 0.000 1.068 16 M CA 1.418 56.755 55.300 0.061 0.000 1.109 16 M CB -0.145 32.489 32.600 0.056 0.000 1.342 16 M HN 0.064 nan 8.290 nan 0.000 0.405 17 L N 0.505 121.749 121.223 0.035 0.000 2.017 17 L HA -0.195 4.146 4.340 0.001 0.000 0.208 17 L C 2.305 179.190 176.870 0.025 0.000 1.073 17 L CA 1.916 56.772 54.840 0.026 0.000 0.745 17 L CB -0.665 41.408 42.059 0.023 0.000 0.894 17 L HN 0.254 nan 8.230 nan 0.000 0.432 18 R N -0.673 119.844 120.500 0.028 0.000 2.091 18 R HA -0.133 4.208 4.340 0.001 0.000 0.238 18 R C 2.212 178.528 176.300 0.026 0.000 1.136 18 R CA 1.259 57.374 56.100 0.026 0.000 0.959 18 R CB -1.061 29.256 30.300 0.028 0.000 0.856 18 R HN 0.590 nan 8.270 nan 0.000 0.437 19 G N 0.432 109.251 108.800 0.032 0.000 2.418 19 G HA2 -0.214 3.747 3.960 0.001 0.000 0.217 19 G HA3 -0.214 3.747 3.960 0.001 0.000 0.217 19 G C 1.476 176.387 174.900 0.019 0.000 1.158 19 G CA 0.710 45.826 45.100 0.026 0.000 0.771 19 G HN 0.134 nan 8.290 nan 0.000 0.545 20 V N 1.228 121.154 119.914 0.020 0.000 2.343 20 V HA -0.234 3.887 4.120 0.001 0.000 0.247 20 V C 2.597 178.700 176.094 0.015 0.000 1.051 20 V CA 2.254 64.564 62.300 0.017 0.000 1.036 20 V CB -0.720 31.114 31.823 0.018 0.000 0.654 20 V HN 0.383 nan 8.190 nan 0.000 0.451 21 N N -0.201 118.508 118.700 0.016 0.000 2.058 21 N HA -0.154 4.586 4.740 0.001 0.000 0.191 21 N C 1.706 177.223 175.510 0.012 0.000 1.037 21 N CA 1.505 54.563 53.050 0.013 0.000 0.848 21 N CB -0.342 38.153 38.487 0.014 0.000 1.021 21 N HN 0.258 nan 8.380 nan 0.000 0.422 22 V N 1.289 121.211 119.914 0.012 0.000 2.392 22 V HA -0.191 3.930 4.120 0.001 0.000 0.249 22 V C 2.146 178.245 176.094 0.008 0.000 1.059 22 V CA 1.189 63.495 62.300 0.010 0.000 1.051 22 V CB -0.521 31.309 31.823 0.011 0.000 0.658 22 V HN 0.395 nan 8.190 nan 0.000 0.455 23 L N 0.410 121.638 121.223 0.008 0.000 2.007 23 L HA -0.047 4.293 4.340 0.001 0.000 0.205 23 L C 2.486 179.360 176.870 0.007 0.000 1.073 23 L CA 2.755 57.599 54.840 0.006 0.000 0.744 23 L CB -1.313 40.750 42.059 0.006 0.000 0.898 23 L HN 0.323 nan 8.230 nan 0.000 0.435 24 A N -0.721 122.105 122.820 0.009 0.000 1.968 24 A HA -0.156 4.165 4.320 0.001 0.000 0.217 24 A C 1.805 179.395 177.584 0.009 0.000 1.169 24 A CA 1.356 53.400 52.037 0.010 0.000 0.638 24 A CB -0.448 18.560 19.000 0.012 0.000 0.812 24 A HN 0.518 nan 8.150 nan 0.000 0.446 25 D N 0.250 120.655 120.400 0.009 0.000 2.183 25 D HA 0.027 4.668 4.640 0.001 0.000 0.203 25 D C 2.165 178.469 176.300 0.007 0.000 0.969 25 D CA 1.241 55.245 54.000 0.008 0.000 0.842 25 D CB -0.289 40.516 40.800 0.008 0.000 0.957 25 D HN 0.417 nan 8.370 nan 0.000 0.484 26 A N 0.709 123.532 122.820 0.006 0.000 1.841 26 A HA -0.126 4.195 4.320 0.001 0.000 0.214 26 A C 2.490 180.077 177.584 0.005 0.000 1.195 26 A CA 1.154 53.194 52.037 0.005 0.000 0.611 26 A CB -0.896 18.106 19.000 0.004 0.000 0.835 26 A HN 0.116 nan 8.150 nan 0.000 0.443 27 V N 0.331 120.249 119.914 0.006 0.000 2.453 27 V HA -0.309 3.811 4.120 0.001 0.000 0.252 27 V C 2.424 178.522 176.094 0.008 0.000 1.068 27 V CA 2.423 64.728 62.300 0.007 0.000 1.070 27 V CB -0.758 31.070 31.823 0.008 0.000 0.664 27 V HN 0.548 nan 8.190 nan 0.000 0.461 28 K N 0.102 120.506 120.400 0.008 0.000 2.209 28 K HA -0.126 4.195 4.320 0.001 0.000 0.204 28 K C 1.821 178.425 176.600 0.007 0.000 1.048 28 K CA 1.534 57.825 56.287 0.008 0.000 0.940 28 K CB -0.287 32.218 32.500 0.008 0.000 0.729 28 K HN 0.606 nan 8.250 nan 0.000 0.451 29 V N -0.926 118.991 119.914 0.006 0.000 3.444 29 V HA -0.045 4.076 4.120 0.001 0.000 0.271 29 V C 1.357 177.453 176.094 0.004 0.000 1.188 29 V CA 1.659 63.962 62.300 0.005 0.000 1.168 29 V CB -0.763 31.063 31.823 0.004 0.000 0.810 29 V HN 0.327 nan 8.190 nan 0.000 0.500 30 T N -3.036 111.521 114.554 0.005 0.000 3.040 30 T HA 0.358 4.709 4.350 0.001 0.000 0.266 30 T C 0.312 175.014 174.700 0.004 0.000 1.005 30 T CA -0.170 61.932 62.100 0.004 0.000 0.906 30 T CB 0.189 69.060 68.868 0.005 0.000 1.082 30 T HN 0.331 nan 8.240 nan 0.000 0.531 31 L N 2.939 124.164 121.223 0.005 0.000 2.367 31 L HA 0.602 4.942 4.340 0.001 0.000 0.275 31 L C 0.883 177.754 176.870 0.002 0.000 1.129 31 L CA 1.606 56.449 54.840 0.005 0.000 0.839 31 L CB -0.309 41.754 42.059 0.007 0.000 1.133 31 L HN 0.691 nan 8.230 nan 0.000 0.453 32 G N 4.847 113.647 108.800 -0.001 0.000 2.615 32 G HA2 -0.203 3.757 3.960 0.001 0.000 0.218 32 G HA3 -0.203 3.757 3.960 0.001 0.000 0.218 32 G C -2.207 172.685 174.900 -0.012 0.000 1.339 32 G CA -0.197 44.899 45.100 -0.008 0.000 0.884 32 G HN 0.584 nan 8.290 nan 0.000 0.559 33 P HA 0.040 nan 4.420 nan 0.000 0.212 33 P C 1.455 178.742 177.300 -0.021 0.000 1.179 33 P CA 1.712 64.796 63.100 -0.027 0.000 0.898 33 P CB -0.072 31.601 31.700 -0.045 0.000 0.775 34 K N -0.186 120.202 120.400 -0.020 0.000 2.439 34 K HA 0.087 4.408 4.320 0.001 0.000 0.197 34 K C 1.416 178.013 176.600 -0.006 0.000 1.041 34 K CA 0.268 56.548 56.287 -0.013 0.000 0.970 34 K CB -0.618 31.876 32.500 -0.010 0.000 0.773 34 K HN 0.156 nan 8.250 nan 0.000 0.479 35 G N 1.569 110.366 108.800 -0.004 0.000 2.414 35 G HA2 -0.024 3.937 3.960 0.001 0.000 0.236 35 G HA3 -0.024 3.937 3.960 0.001 0.000 0.236 35 G C -0.106 174.793 174.900 -0.001 0.000 1.293 35 G CA -0.228 44.872 45.100 -0.001 0.000 0.869 35 G HN 0.197 nan 8.290 nan 0.000 0.556 36 R N 0.846 121.346 120.500 0.001 0.000 2.523 36 R HA 0.350 4.690 4.340 0.001 0.000 0.216 36 R C -0.267 176.033 176.300 0.001 0.000 1.279 36 R CA -0.783 55.318 56.100 0.000 0.000 1.015 36 R CB 0.398 30.698 30.300 0.001 0.000 1.756 36 R HN 0.498 nan 8.270 nan 0.000 0.528 37 N N -0.873 117.828 118.700 0.001 0.000 2.380 37 N HA 0.418 5.159 4.740 0.001 0.000 0.290 37 N C -1.353 174.158 175.510 0.002 0.000 1.236 37 N CA -0.607 52.444 53.050 0.002 0.000 0.780 37 N CB 2.053 40.541 38.487 0.002 0.000 1.438 37 N HN 0.098 nan 8.380 nan 0.000 0.491 38 V N 0.587 120.502 119.914 0.002 0.000 2.715 38 V HA 0.536 4.657 4.120 0.001 0.000 0.310 38 V C -0.266 175.828 176.094 0.000 0.000 1.054 38 V CA -0.789 61.512 62.300 0.001 0.000 0.928 38 V CB 2.080 33.904 31.823 0.002 0.000 1.007 38 V HN 0.315 nan 8.190 nan 0.000 0.437 39 V N 5.193 125.106 119.914 -0.002 0.000 2.417 39 V HA 0.500 4.621 4.120 0.001 0.000 0.291 39 V C -0.380 175.710 176.094 -0.007 0.000 1.024 39 V CA -0.488 61.809 62.300 -0.004 0.000 0.861 39 V CB 1.576 33.395 31.823 -0.006 0.000 0.985 39 V HN 0.612 nan 8.190 nan 0.000 0.436 40 L N 3.727 124.946 121.223 -0.006 0.000 2.298 40 L HA 0.551 4.892 4.340 0.001 0.000 0.284 40 L C -0.475 176.383 176.870 -0.021 0.000 1.013 40 L CA -0.508 54.326 54.840 -0.010 0.000 0.824 40 L CB 1.674 43.733 42.059 -0.000 0.000 1.221 40 L HN 0.537 nan 8.230 nan 0.000 0.418 41 D N 3.693 124.071 120.400 -0.037 0.000 2.255 41 D HA 0.375 5.016 4.640 0.001 0.000 0.249 41 D C -0.774 175.462 176.300 -0.107 0.000 1.078 41 D CA 0.003 53.965 54.000 -0.063 0.000 0.896 41 D CB 1.035 41.796 40.800 -0.065 0.000 1.194 41 D HN 0.362 nan 8.370 nan 0.000 0.429 42 K N 1.269 121.576 120.400 -0.155 0.000 2.581 42 K HA 0.160 4.480 4.320 0.001 0.000 0.249 42 K C 0.301 176.662 176.600 -0.398 0.000 0.966 42 K CA -0.488 55.602 56.287 -0.329 0.000 0.811 42 K CB 1.663 34.040 32.500 -0.205 0.000 1.223 42 K HN 0.350 nan 8.250 nan 0.000 0.438 43 S N 1.317 116.667 115.700 -0.582 0.000 2.603 43 S HA -0.060 4.410 4.470 0.001 0.000 0.229 43 S C 1.184 175.615 174.600 -0.281 0.000 0.972 43 S CA 0.475 58.444 58.200 -0.385 0.000 0.935 43 S CB -0.439 62.570 63.200 -0.317 0.000 0.769 43 S HN 0.494 nan 8.310 nan 0.000 0.536 44 F N 2.207 122.155 119.950 -0.004 0.000 2.604 44 F HA 0.427 4.954 4.527 0.001 0.000 0.298 44 F C 1.715 177.513 175.800 -0.003 0.000 1.131 44 F CA -0.382 57.615 58.000 -0.004 0.000 1.457 44 F CB -0.896 38.102 39.000 -0.005 0.000 1.095 44 F HN 0.480 nan 8.300 nan 0.000 0.574 45 G N -1.111 107.733 108.800 0.073 0.000 2.825 45 G HA2 0.548 4.508 3.960 0.001 0.000 0.100 45 G HA3 0.548 4.508 3.960 0.001 0.000 0.100 45 G C -1.339 173.563 174.900 0.003 0.000 1.195 45 G CA -0.018 45.111 45.100 0.048 0.000 1.317 45 G HN 0.295 nan 8.290 nan 0.000 0.632 46 A N 0.268 123.093 122.820 0.008 0.000 2.330 46 A HA 0.902 5.222 4.320 0.001 0.000 0.329 46 A C -2.646 174.933 177.584 -0.009 0.000 1.135 46 A CA -1.179 50.855 52.037 -0.006 0.000 0.817 46 A CB 0.635 19.635 19.000 0.001 0.000 1.269 46 A HN 0.374 nan 8.150 nan 0.000 0.469 47 P HA 0.242 nan 4.420 nan 0.000 0.268 47 P C -0.446 176.853 177.300 -0.002 0.000 1.208 47 P CA 0.336 63.426 63.100 -0.016 0.000 0.777 47 P CB 0.384 32.073 31.700 -0.019 0.000 0.875 48 T N 2.822 117.377 114.554 0.003 0.000 2.771 48 T HA 0.467 4.817 4.350 0.001 0.000 0.281 48 T C 0.320 175.024 174.700 0.006 0.000 0.982 48 T CA -0.284 61.822 62.100 0.010 0.000 0.978 48 T CB 0.162 69.042 68.868 0.019 0.000 0.930 48 T HN 0.097 nan 8.240 nan 0.000 0.447 49 I N 2.751 123.325 120.570 0.007 0.000 2.428 49 I HA 0.525 4.696 4.170 0.001 0.000 0.289 49 I C 0.797 176.919 176.117 0.008 0.000 1.019 49 I CA 0.048 61.351 61.300 0.005 0.000 1.351 49 I CB 1.365 39.367 38.000 0.004 0.000 1.412 49 I HN 0.513 nan 8.210 nan 0.000 0.513 50 T N 3.882 118.440 114.554 0.007 0.000 2.889 50 T HA 0.338 4.689 4.350 0.001 0.000 0.315 50 T C 0.139 174.844 174.700 0.007 0.000 1.291 50 T CA -0.653 61.452 62.100 0.009 0.000 1.028 50 T CB 1.392 70.267 68.868 0.011 0.000 1.235 50 T HN 0.739 nan 8.240 nan 0.000 0.491 51 K N 1.124 121.529 120.400 0.009 0.000 2.360 51 K HA 0.175 4.496 4.320 0.001 0.000 0.196 51 K C 0.267 176.872 176.600 0.009 0.000 1.049 51 K CA -0.147 56.145 56.287 0.008 0.000 1.049 51 K CB 0.342 32.846 32.500 0.007 0.000 0.881 51 K HN 0.647 nan 8.250 nan 0.000 0.542 52 D N -0.737 119.670 120.400 0.010 0.000 2.210 52 D HA 0.045 4.686 4.640 0.001 0.000 0.249 52 D C 0.679 176.984 176.300 0.009 0.000 1.078 52 D CA -0.089 53.917 54.000 0.011 0.000 0.875 52 D CB 1.814 42.622 40.800 0.013 0.000 1.175 52 D HN 0.255 nan 8.370 nan 0.000 0.440 53 G N 2.560 111.365 108.800 0.009 0.000 2.443 53 G HA2 -0.170 3.791 3.960 0.001 0.000 0.219 53 G HA3 -0.170 3.791 3.960 0.001 0.000 0.219 53 G C 1.369 176.272 174.900 0.005 0.000 1.131 53 G CA 0.262 45.367 45.100 0.008 0.000 0.775 53 G HN 0.451 nan 8.290 nan 0.000 0.547 54 V N 0.528 120.443 119.914 0.003 0.000 2.649 54 V HA -0.061 4.060 4.120 0.001 0.000 0.248 54 V C 2.907 179.000 176.094 -0.002 0.000 1.054 54 V CA 2.202 64.500 62.300 -0.003 0.000 1.073 54 V CB -0.072 31.744 31.823 -0.012 0.000 0.699 54 V HN 0.349 nan 8.190 nan 0.000 0.463 55 S N -0.047 115.654 115.700 0.002 0.000 2.356 55 S HA -0.179 4.292 4.470 0.001 0.000 0.223 55 S C 1.905 176.508 174.600 0.006 0.000 1.032 55 S CA 1.704 59.907 58.200 0.006 0.000 1.005 55 S CB -0.294 62.912 63.200 0.010 0.000 0.867 55 S HN 0.459 nan 8.310 nan 0.000 0.449 56 V N 2.201 122.118 119.914 0.005 0.000 2.261 56 V HA -0.211 3.910 4.120 0.001 0.000 0.246 56 V C 2.719 178.815 176.094 0.003 0.000 1.047 56 V CA 1.771 64.073 62.300 0.004 0.000 1.015 56 V CB -1.313 30.513 31.823 0.004 0.000 0.642 56 V HN 0.548 nan 8.190 nan 0.000 0.446 57 A N -0.185 122.636 122.820 0.002 0.000 1.908 57 A HA -0.257 4.063 4.320 0.001 0.000 0.218 57 A C 2.357 179.940 177.584 -0.002 0.000 1.181 57 A CA 2.009 54.046 52.037 -0.000 0.000 0.627 57 A CB -0.570 18.429 19.000 -0.001 0.000 0.818 57 A HN 0.499 nan 8.150 nan 0.000 0.445 58 R N -0.615 119.884 120.500 -0.003 0.000 2.127 58 R HA -0.105 4.236 4.340 0.001 0.000 0.238 58 R C 1.686 177.986 176.300 0.000 0.000 1.134 58 R CA 1.308 57.406 56.100 -0.004 0.000 0.975 58 R CB -0.131 30.167 30.300 -0.003 0.000 0.865 58 R HN 0.457 nan 8.270 nan 0.000 0.447 59 E N 0.201 120.403 120.200 0.004 0.000 2.427 59 E HA -0.020 4.331 4.350 0.001 0.000 0.196 59 E C 0.253 176.854 176.600 0.000 0.000 1.028 59 E CA 0.304 56.707 56.400 0.005 0.000 0.864 59 E CB 0.200 29.904 29.700 0.006 0.000 0.813 59 E HN 0.167 nan 8.360 nan 0.000 0.514 60 I N 1.951 122.520 120.570 -0.001 0.000 2.517 60 I HA 0.107 4.277 4.170 0.001 0.000 0.285 60 I C 0.439 176.553 176.117 -0.005 0.000 1.106 60 I CA 0.338 61.636 61.300 -0.003 0.000 1.402 60 I CB 0.166 38.165 38.000 -0.001 0.000 1.399 60 I HN -0.049 nan 8.210 nan 0.000 0.535 61 E N 6.389 126.585 120.200 -0.006 0.000 2.335 61 E HA 0.491 4.842 4.350 0.001 0.000 0.280 61 E C -2.001 174.595 176.600 -0.007 0.000 0.918 61 E CA -0.655 55.740 56.400 -0.009 0.000 0.765 61 E CB 2.161 31.856 29.700 -0.009 0.000 1.218 61 E HN 0.257 nan 8.360 nan 0.000 0.425 62 L N 3.335 124.553 121.223 -0.009 0.000 2.354 62 L HA 0.291 4.632 4.340 0.001 0.000 0.269 62 L C 1.318 178.185 176.870 -0.006 0.000 1.005 62 L CA -0.187 54.651 54.840 -0.003 0.000 0.819 62 L CB 1.452 43.514 42.059 0.005 0.000 1.311 62 L HN 0.864 nan 8.230 nan 0.000 0.423 63 E N 1.014 121.215 120.200 0.001 0.000 2.077 63 E HA -0.187 4.164 4.350 0.001 0.000 0.193 63 E C 0.017 176.626 176.600 0.015 0.000 0.989 63 E CA 0.821 57.224 56.400 0.004 0.000 0.800 63 E CB 0.374 30.080 29.700 0.009 0.000 0.746 63 E HN 0.590 nan 8.360 nan 0.000 0.452 64 D N 1.280 121.699 120.400 0.031 0.000 2.441 64 D HA -0.038 4.603 4.640 0.001 0.000 0.243 64 D C 0.777 177.114 176.300 0.062 0.000 1.257 64 D CA -0.005 54.036 54.000 0.069 0.000 1.027 64 D CB 0.514 41.358 40.800 0.073 0.000 1.084 64 D HN 0.025 nan 8.370 nan 0.000 0.514 65 K N 2.369 122.777 120.400 0.015 0.000 2.113 65 K HA -0.185 4.135 4.320 0.001 0.000 0.208 65 K C 1.722 178.193 176.600 -0.214 0.000 1.047 65 K CA 1.025 57.223 56.287 -0.148 0.000 0.928 65 K CB -0.347 31.978 32.500 -0.292 0.000 0.716 65 K HN 0.455 nan 8.250 nan 0.000 0.446 66 F N 1.720 121.663 119.950 -0.012 0.000 2.502 66 F HA -0.056 4.471 4.527 -0.000 0.000 0.298 66 F C 2.131 177.925 175.800 -0.009 0.000 1.111 66 F CA 0.833 58.825 58.000 -0.013 0.000 1.445 66 F CB -0.098 38.894 39.000 -0.012 0.000 1.081 66 F HN 0.141 nan 8.300 nan 0.000 0.558 67 E N -0.343 119.937 120.200 0.133 0.000 2.140 67 E HA -0.128 4.223 4.350 0.001 0.000 0.191 67 E C 1.623 178.238 176.600 0.025 0.000 0.973 67 E CA 0.671 57.113 56.400 0.071 0.000 0.829 67 E CB -0.336 29.401 29.700 0.061 0.000 0.781 67 E HN 0.322 nan 8.360 nan 0.000 0.466 68 N N 1.336 120.036 118.700 -0.000 0.000 2.094 68 N HA -0.179 4.561 4.740 0.001 0.000 0.191 68 N C 1.846 177.334 175.510 -0.036 0.000 1.023 68 N CA 1.399 54.434 53.050 -0.026 0.000 0.857 68 N CB -0.023 38.435 38.487 -0.048 0.000 1.013 68 N HN 0.059 nan 8.380 nan 0.000 0.426 69 M N -0.762 118.806 119.600 -0.053 0.000 2.082 69 M HA -0.118 4.363 4.480 0.001 0.000 0.258 69 M C 2.220 178.510 176.300 -0.016 0.000 1.069 69 M CA 1.924 57.194 55.300 -0.049 0.000 1.102 69 M CB -0.730 31.833 32.600 -0.061 0.000 1.336 69 M HN 0.356 nan 8.290 nan 0.000 0.404 70 G N -0.375 108.428 108.800 0.005 0.000 2.404 70 G HA2 -0.111 3.850 3.960 0.001 0.000 0.215 70 G HA3 -0.111 3.850 3.960 0.001 0.000 0.215 70 G C 1.624 176.527 174.900 0.005 0.000 1.174 70 G CA 0.952 46.060 45.100 0.013 0.000 0.780 70 G HN 0.551 nan 8.290 nan 0.000 0.537 71 A N 0.015 122.837 122.820 0.003 0.000 1.908 71 A HA -0.122 4.199 4.320 0.001 0.000 0.218 71 A C 2.388 179.967 177.584 -0.008 0.000 1.181 71 A CA 2.033 54.070 52.037 -0.001 0.000 0.627 71 A CB -0.408 18.591 19.000 -0.001 0.000 0.818 71 A HN 0.331 nan 8.150 nan 0.000 0.445 72 Q N -0.870 118.920 119.800 -0.015 0.000 2.124 72 Q HA -0.110 4.231 4.340 0.001 0.000 0.202 72 Q C 2.214 178.202 176.000 -0.020 0.000 0.977 72 Q CA 1.556 57.346 55.803 -0.021 0.000 0.850 72 Q CB -0.379 28.340 28.738 -0.030 0.000 0.901 72 Q HN 0.788 nan 8.270 nan 0.000 0.429 73 M N 0.042 119.634 119.600 -0.015 0.000 2.099 73 M HA -0.145 4.335 4.480 0.001 0.000 0.262 73 M C 2.253 178.550 176.300 -0.006 0.000 1.067 73 M CA 1.370 56.664 55.300 -0.011 0.000 1.124 73 M CB -0.338 32.259 32.600 -0.004 0.000 1.353 73 M HN 0.063 nan 8.290 nan 0.000 0.410 74 V N -1.354 118.560 119.914 -0.000 0.000 2.626 74 V HA -0.186 3.934 4.120 0.001 0.000 0.252 74 V C 2.102 178.195 176.094 -0.002 0.000 1.067 74 V CA 1.613 63.915 62.300 0.004 0.000 1.081 74 V CB -1.210 30.619 31.823 0.010 0.000 0.686 74 V HN 0.460 nan 8.190 nan 0.000 0.468 75 K N 0.562 120.957 120.400 -0.009 0.000 2.147 75 K HA -0.230 4.091 4.320 0.001 0.000 0.205 75 K C 2.260 178.843 176.600 -0.028 0.000 1.049 75 K CA 1.753 58.030 56.287 -0.016 0.000 0.936 75 K CB -0.085 32.405 32.500 -0.017 0.000 0.722 75 K HN 0.666 nan 8.250 nan 0.000 0.446 76 E N 0.117 120.298 120.200 -0.033 0.000 2.047 76 E HA -0.165 4.186 4.350 0.001 0.000 0.191 76 E C 1.936 178.494 176.600 -0.070 0.000 0.987 76 E CA 1.140 57.507 56.400 -0.055 0.000 0.799 76 E CB 0.028 29.697 29.700 -0.052 0.000 0.752 76 E HN 0.204 nan 8.360 nan 0.000 0.449 77 V N 0.801 120.695 119.914 -0.033 0.000 2.332 77 V HA -0.246 3.875 4.120 0.001 0.000 0.248 77 V C 2.187 178.283 176.094 0.004 0.000 1.055 77 V CA 2.271 64.570 62.300 -0.001 0.000 1.038 77 V CB -0.454 31.404 31.823 0.058 0.000 0.651 77 V HN 0.390 nan 8.190 nan 0.000 0.450 78 A N -0.944 121.876 122.820 -0.000 0.000 1.940 78 A HA -0.209 4.112 4.320 0.001 0.000 0.219 78 A C 2.539 180.109 177.584 -0.023 0.000 1.176 78 A CA 2.439 54.477 52.037 0.001 0.000 0.631 78 A CB -1.055 17.945 19.000 -0.000 0.000 0.814 78 A HN 0.602 nan 8.150 nan 0.000 0.446 79 S N -0.907 114.762 115.700 -0.051 0.000 2.345 79 S HA -0.122 4.348 4.470 0.001 0.000 0.220 79 S C 2.150 176.675 174.600 -0.124 0.000 1.031 79 S CA 1.328 59.482 58.200 -0.076 0.000 0.996 79 S CB -0.250 62.904 63.200 -0.077 0.000 0.882 79 S HN 0.465 nan 8.310 nan 0.000 0.445 80 K N 1.256 121.524 120.400 -0.220 0.000 2.160 80 K HA -0.058 4.263 4.320 0.001 0.000 0.206 80 K C 2.177 178.578 176.600 -0.332 0.000 1.047 80 K CA 1.156 57.160 56.287 -0.473 0.000 0.930 80 K CB -0.724 31.246 32.500 -0.884 0.000 0.720 80 K HN 0.419 nan 8.250 nan 0.000 0.450 81 A N 1.956 124.773 122.820 -0.006 0.000 1.845 81 A HA -0.229 4.092 4.320 0.001 0.000 0.215 81 A C 2.083 179.704 177.584 0.062 0.000 1.195 81 A CA 1.903 54.053 52.037 0.189 0.000 0.616 81 A CB -0.843 18.252 19.000 0.158 0.000 0.832 81 A HN 0.484 nan 8.150 nan 0.000 0.443 82 N N -0.432 118.261 118.700 -0.012 0.000 2.104 82 N HA -0.195 4.545 4.740 0.001 0.000 0.190 82 N C 1.019 176.472 175.510 -0.095 0.000 1.024 82 N CA 1.650 54.661 53.050 -0.066 0.000 0.853 82 N CB -0.320 38.128 38.487 -0.064 0.000 1.008 82 N HN 0.437 nan 8.380 nan 0.000 0.424 83 D N -0.234 120.118 120.400 -0.080 0.000 2.310 83 D HA -0.051 4.590 4.640 0.001 0.000 0.212 83 D C 1.221 177.497 176.300 -0.040 0.000 0.965 83 D CA 0.710 54.666 54.000 -0.074 0.000 0.879 83 D CB 0.226 40.969 40.800 -0.094 0.000 0.921 83 D HN 0.462 nan 8.370 nan 0.000 0.510 84 A N -0.211 122.610 122.820 0.002 0.000 2.070 84 A HA 0.503 4.823 4.320 0.001 0.000 0.202 84 A C 1.652 179.275 177.584 0.065 0.000 1.277 84 A CA 0.724 52.802 52.037 0.068 0.000 0.872 84 A CB 0.731 19.845 19.000 0.189 0.000 0.933 84 A HN 0.132 nan 8.150 nan 0.000 0.475 85 A N -2.473 120.372 122.820 0.042 0.000 2.653 85 A HA 0.491 4.812 4.320 0.001 0.000 0.248 85 A C 1.657 179.230 177.584 -0.018 0.000 1.211 85 A CA 1.015 53.075 52.037 0.038 0.000 0.991 85 A CB -0.277 18.762 19.000 0.066 0.000 1.252 85 A HN 1.859 nan 8.150 nan 0.000 0.593 86 G N 0.127 108.841 108.800 -0.144 0.000 3.444 86 G HA2 -0.345 3.616 3.960 0.001 0.000 0.222 86 G HA3 -0.345 3.616 3.960 0.001 0.000 0.222 86 G C 0.352 175.195 174.900 -0.095 0.000 1.358 86 G CA 0.855 45.780 45.100 -0.292 0.000 0.880 86 G HN 0.714 nan 8.290 nan 0.000 0.555 87 D N -0.781 119.613 120.400 -0.009 0.000 2.666 87 D HA 0.555 5.196 4.640 0.001 0.000 0.252 87 D C 1.336 177.651 176.300 0.026 0.000 1.143 87 D CA 1.057 55.068 54.000 0.017 0.000 1.096 87 D CB 0.684 41.508 40.800 0.040 0.000 1.260 87 D HN 1.531 nan 8.370 nan 0.000 0.633 88 G N -0.853 107.962 108.800 0.026 0.000 2.143 88 G HA2 -0.312 3.649 3.960 0.001 0.000 0.249 88 G HA3 -0.312 3.649 3.960 0.001 0.000 0.249 88 G C 1.035 175.954 174.900 0.032 0.000 0.981 88 G CA 1.612 46.729 45.100 0.027 0.000 0.665 88 G HN 0.663 nan 8.290 nan 0.000 0.528 89 T N -2.492 112.078 114.554 0.027 0.000 2.708 89 T HA -0.132 4.219 4.350 0.001 0.000 0.266 89 T C 2.240 176.954 174.700 0.024 0.000 1.037 89 T CA 2.575 64.691 62.100 0.026 0.000 1.146 89 T CB -0.764 68.112 68.868 0.013 0.000 0.865 89 T HN 0.351 nan 8.240 nan 0.000 0.435 90 T N 2.014 116.579 114.554 0.019 0.000 2.708 90 T HA -0.100 4.251 4.350 0.001 0.000 0.266 90 T C 2.284 176.995 174.700 0.019 0.000 1.037 90 T CA 1.905 64.015 62.100 0.016 0.000 1.146 90 T CB -1.040 67.835 68.868 0.013 0.000 0.865 90 T HN 0.561 nan 8.240 nan 0.000 0.435 91 T N 2.220 116.785 114.554 0.019 0.000 2.684 91 T HA -0.077 4.274 4.350 0.001 0.000 0.267 91 T C 2.426 177.140 174.700 0.023 0.000 1.036 91 T CA 1.225 63.336 62.100 0.018 0.000 1.148 91 T CB -0.650 68.227 68.868 0.015 0.000 0.863 91 T HN 0.445 nan 8.240 nan 0.000 0.436 92 A N 1.528 124.368 122.820 0.034 0.000 1.908 92 A HA -0.154 4.166 4.320 0.001 0.000 0.218 92 A C 2.580 180.190 177.584 0.042 0.000 1.181 92 A CA 2.185 54.252 52.037 0.050 0.000 0.627 92 A CB -1.314 17.736 19.000 0.083 0.000 0.818 92 A HN 0.504 nan 8.150 nan 0.000 0.445 93 T N -0.570 114.004 114.554 0.033 0.000 2.777 93 T HA -0.091 4.260 4.350 0.001 0.000 0.266 93 T C 1.851 176.564 174.700 0.022 0.000 1.040 93 T CA 1.430 63.545 62.100 0.026 0.000 1.141 93 T CB -0.409 68.471 68.868 0.020 0.000 0.868 93 T HN 0.137 nan 8.240 nan 0.000 0.444 94 V N 1.401 121.327 119.914 0.020 0.000 2.343 94 V HA -0.099 4.022 4.120 0.001 0.000 0.247 94 V C 2.452 178.556 176.094 0.017 0.000 1.051 94 V CA 1.404 63.714 62.300 0.017 0.000 1.036 94 V CB -0.605 31.227 31.823 0.014 0.000 0.654 94 V HN 0.423 nan 8.190 nan 0.000 0.451 95 L N -0.245 120.989 121.223 0.019 0.000 2.056 95 L HA -0.131 4.210 4.340 0.001 0.000 0.207 95 L C 2.725 179.608 176.870 0.021 0.000 1.078 95 L CA 1.527 56.378 54.840 0.018 0.000 0.749 95 L CB -0.793 41.276 42.059 0.017 0.000 0.901 95 L HN 0.349 nan 8.230 nan 0.000 0.433 96 A N 0.758 123.594 122.820 0.027 0.000 1.865 96 A HA -0.299 4.022 4.320 0.001 0.000 0.217 96 A C 2.195 179.792 177.584 0.022 0.000 1.191 96 A CA 2.054 54.108 52.037 0.028 0.000 0.623 96 A CB -0.736 18.284 19.000 0.033 0.000 0.826 96 A HN 0.585 nan 8.150 nan 0.000 0.444 97 Q N -0.208 119.604 119.800 0.020 0.000 2.170 97 Q HA 0.110 4.451 4.340 0.001 0.000 0.203 97 Q C 1.813 177.823 176.000 0.016 0.000 0.976 97 Q CA 2.061 57.875 55.803 0.017 0.000 0.858 97 Q CB -0.711 28.036 28.738 0.016 0.000 0.907 97 Q HN 0.491 nan 8.270 nan 0.000 0.433 98 A N 1.055 123.884 122.820 0.015 0.000 1.872 98 A HA -0.022 4.299 4.320 0.001 0.000 0.214 98 A C 2.182 179.774 177.584 0.014 0.000 1.187 98 A CA 1.291 53.336 52.037 0.014 0.000 0.614 98 A CB -0.614 18.394 19.000 0.013 0.000 0.826 98 A HN 0.419 nan 8.150 nan 0.000 0.442 99 I N -0.300 120.279 120.570 0.016 0.000 2.286 99 I HA -0.244 3.927 4.170 0.001 0.000 0.248 99 I C 2.237 178.364 176.117 0.017 0.000 1.115 99 I CA 1.164 62.473 61.300 0.016 0.000 1.392 99 I CB -0.333 37.678 38.000 0.017 0.000 1.065 99 I HN 0.288 nan 8.210 nan 0.000 0.418 100 I N 0.340 120.921 120.570 0.018 0.000 2.226 100 I HA -0.283 3.888 4.170 0.001 0.000 0.245 100 I C 2.563 178.690 176.117 0.017 0.000 1.100 100 I CA 1.541 62.852 61.300 0.018 0.000 1.374 100 I CB -0.604 37.408 38.000 0.019 0.000 1.057 100 I HN 0.235 nan 8.210 nan 0.000 0.413 101 T N 0.306 114.869 114.554 0.015 0.000 2.607 101 T HA -0.185 4.165 4.350 0.001 0.000 0.267 101 T C 1.784 176.492 174.700 0.013 0.000 1.049 101 T CA 1.456 63.564 62.100 0.014 0.000 1.162 101 T CB -0.206 68.670 68.868 0.013 0.000 0.863 101 T HN 0.314 nan 8.240 nan 0.000 0.424 102 E N 0.472 120.680 120.200 0.013 0.000 2.216 102 E HA 0.062 4.413 4.350 0.001 0.000 0.192 102 E C 2.500 179.108 176.600 0.013 0.000 0.988 102 E CA 0.691 57.098 56.400 0.012 0.000 0.834 102 E CB -0.584 29.123 29.700 0.011 0.000 0.772 102 E HN 0.575 nan 8.360 nan 0.000 0.479 103 G N 1.362 110.170 108.800 0.014 0.000 2.394 103 G HA2 -0.167 3.793 3.960 0.001 0.000 0.215 103 G HA3 -0.167 3.793 3.960 0.001 0.000 0.215 103 G C 1.734 176.644 174.900 0.016 0.000 1.165 103 G CA 0.196 45.305 45.100 0.015 0.000 0.784 103 G HN 0.139 nan 8.290 nan 0.000 0.535 104 L N 0.165 121.398 121.223 0.017 0.000 2.083 104 L HA -0.051 4.290 4.340 0.001 0.000 0.209 104 L C 2.800 179.679 176.870 0.016 0.000 1.083 104 L CA 1.468 56.319 54.840 0.018 0.000 0.752 104 L CB -0.328 41.743 42.059 0.019 0.000 0.899 104 L HN 0.225 nan 8.230 nan 0.000 0.433 105 K N 0.423 120.831 120.400 0.014 0.000 2.032 105 K HA -0.218 4.103 4.320 0.001 0.000 0.209 105 K C 2.138 178.745 176.600 0.012 0.000 1.048 105 K CA 1.513 57.807 56.287 0.012 0.000 0.927 105 K CB -0.095 32.411 32.500 0.011 0.000 0.712 105 K HN 0.277 nan 8.250 nan 0.000 0.441 106 A N 0.491 123.318 122.820 0.012 0.000 1.898 106 A HA -0.095 4.226 4.320 0.001 0.000 0.216 106 A C 2.214 179.806 177.584 0.013 0.000 1.181 106 A CA 1.506 53.550 52.037 0.011 0.000 0.620 106 A CB -0.579 18.428 19.000 0.011 0.000 0.819 106 A HN 0.182 nan 8.150 nan 0.000 0.442 107 V N -0.205 119.718 119.914 0.015 0.000 2.490 107 V HA -0.243 3.878 4.120 0.001 0.000 0.250 107 V C 2.946 179.050 176.094 0.017 0.000 1.061 107 V CA 1.871 64.181 62.300 0.017 0.000 1.064 107 V CB -0.981 30.854 31.823 0.020 0.000 0.670 107 V HN 0.617 nan 8.190 nan 0.000 0.461 108 A N -0.284 122.546 122.820 0.016 0.000 1.970 108 A HA 0.084 4.404 4.320 0.001 0.000 0.216 108 A C 2.367 179.957 177.584 0.011 0.000 1.170 108 A CA 1.433 53.478 52.037 0.014 0.000 0.645 108 A CB -0.519 18.489 19.000 0.013 0.000 0.816 108 A HN 0.537 nan 8.150 nan 0.000 0.447 109 A N -1.688 121.138 122.820 0.010 0.000 2.067 109 A HA 0.325 4.646 4.320 0.001 0.000 0.219 109 A C 1.873 179.462 177.584 0.008 0.000 1.158 109 A CA 1.847 53.889 52.037 0.008 0.000 0.661 109 A CB -0.631 18.373 19.000 0.008 0.000 0.801 109 A HN 1.745 nan 8.150 nan 0.000 0.452 110 G N -3.414 105.392 108.800 0.010 0.000 2.227 110 G HA2 -0.112 3.849 3.960 0.001 0.000 0.168 110 G HA3 -0.112 3.849 3.960 0.001 0.000 0.168 110 G C 0.064 174.971 174.900 0.011 0.000 1.006 110 G CA 0.027 45.134 45.100 0.010 0.000 0.684 110 G HN 0.232 nan 8.290 nan 0.000 0.489 111 M N 1.370 120.976 119.600 0.011 0.000 2.252 111 M HA 0.284 4.765 4.480 0.001 0.000 0.321 111 M C 0.767 177.075 176.300 0.013 0.000 1.070 111 M CA -0.342 54.965 55.300 0.011 0.000 1.143 111 M CB 0.103 32.710 32.600 0.011 0.000 1.498 111 M HN 0.259 nan 8.290 nan 0.000 0.445 112 N N 2.636 121.344 118.700 0.012 0.000 2.434 112 N HA 0.072 4.812 4.740 0.001 0.000 0.268 112 N C -2.118 173.401 175.510 0.015 0.000 1.256 112 N CA -1.356 51.702 53.050 0.014 0.000 0.914 112 N CB 0.559 39.054 38.487 0.012 0.000 1.088 112 N HN 0.257 nan 8.380 nan 0.000 0.478 113 P HA -0.110 nan 4.420 nan 0.000 0.220 113 P C 1.204 178.514 177.300 0.016 0.000 1.148 113 P CA 0.928 64.038 63.100 0.017 0.000 0.803 113 P CB 0.154 31.866 31.700 0.020 0.000 0.782 114 M N -0.778 118.831 119.600 0.015 0.000 2.349 114 M HA -0.052 4.429 4.480 0.001 0.000 0.266 114 M C 1.173 177.480 176.300 0.013 0.000 1.076 114 M CA 1.635 56.944 55.300 0.014 0.000 1.126 114 M CB -0.782 31.826 32.600 0.014 0.000 1.392 114 M HN -0.242 nan 8.290 nan 0.000 0.440 115 D N -0.524 119.883 120.400 0.012 0.000 2.213 115 D HA -0.008 4.632 4.640 0.001 0.000 0.205 115 D C 2.022 178.329 176.300 0.011 0.000 0.961 115 D CA 0.925 54.932 54.000 0.011 0.000 0.853 115 D CB -0.074 40.732 40.800 0.010 0.000 0.967 115 D HN 0.350 nan 8.370 nan 0.000 0.496 116 L N 0.993 122.223 121.223 0.012 0.000 2.012 116 L HA -0.196 4.145 4.340 0.001 0.000 0.210 116 L C 2.570 179.448 176.870 0.012 0.000 1.073 116 L CA 1.241 56.088 54.840 0.012 0.000 0.748 116 L CB -0.339 41.728 42.059 0.013 0.000 0.891 116 L HN -0.028 nan 8.230 nan 0.000 0.431 117 K N 0.375 120.783 120.400 0.014 0.000 2.009 117 K HA -0.212 4.109 4.320 0.001 0.000 0.210 117 K C 2.295 178.903 176.600 0.012 0.000 1.049 117 K CA 1.562 57.857 56.287 0.014 0.000 0.929 117 K CB -0.042 32.467 32.500 0.016 0.000 0.714 117 K HN 0.194 nan 8.250 nan 0.000 0.440 118 R N -0.572 119.935 120.500 0.011 0.000 2.127 118 R HA -0.119 4.222 4.340 0.001 0.000 0.238 118 R C 2.376 178.681 176.300 0.008 0.000 1.134 118 R CA 1.287 57.393 56.100 0.010 0.000 0.975 118 R CB -0.376 29.930 30.300 0.009 0.000 0.865 118 R HN 0.389 nan 8.270 nan 0.000 0.447 119 G N 0.904 109.709 108.800 0.009 0.000 2.394 119 G HA2 -0.186 3.775 3.960 0.001 0.000 0.215 119 G HA3 -0.186 3.775 3.960 0.001 0.000 0.215 119 G C 1.421 176.326 174.900 0.007 0.000 1.165 119 G CA 0.371 45.476 45.100 0.008 0.000 0.784 119 G HN 0.131 nan 8.290 nan 0.000 0.535 120 I N 1.229 121.805 120.570 0.009 0.000 2.099 120 I HA -0.175 3.995 4.170 0.001 0.000 0.239 120 I C 2.391 178.512 176.117 0.006 0.000 1.066 120 I CA 1.434 62.739 61.300 0.008 0.000 1.324 120 I CB -0.243 37.763 38.000 0.011 0.000 1.037 120 I HN 0.043 nan 8.210 nan 0.000 0.401 121 D N 0.807 121.212 120.400 0.008 0.000 2.116 121 D HA -0.237 4.404 4.640 0.001 0.000 0.193 121 D C 2.076 178.378 176.300 0.003 0.000 0.998 121 D CA 1.383 55.387 54.000 0.006 0.000 0.836 121 D CB -0.288 40.517 40.800 0.009 0.000 0.951 121 D HN 0.301 nan 8.370 nan 0.000 0.449 122 K N 0.419 120.821 120.400 0.004 0.000 2.057 122 K HA -0.055 4.266 4.320 0.001 0.000 0.206 122 K C 2.052 178.653 176.600 0.001 0.000 1.050 122 K CA 1.141 57.430 56.287 0.003 0.000 0.935 122 K CB -0.026 32.477 32.500 0.004 0.000 0.715 122 K HN 0.032 nan 8.250 nan 0.000 0.439 123 A N 0.563 123.385 122.820 0.002 0.000 1.902 123 A HA -0.112 4.209 4.320 0.001 0.000 0.217 123 A C 2.212 179.795 177.584 -0.003 0.000 1.181 123 A CA 1.567 53.604 52.037 0.001 0.000 0.623 123 A CB -0.610 18.392 19.000 0.003 0.000 0.818 123 A HN 0.173 nan 8.150 nan 0.000 0.443 124 V N -0.273 119.638 119.914 -0.005 0.000 2.358 124 V HA -0.210 3.911 4.120 0.001 0.000 0.246 124 V C 2.743 178.828 176.094 -0.015 0.000 1.047 124 V CA 2.406 64.699 62.300 -0.012 0.000 1.035 124 V CB -1.168 30.647 31.823 -0.012 0.000 0.658 124 V HN 0.620 nan 8.190 nan 0.000 0.452 125 T N 0.600 115.148 114.554 -0.010 0.000 2.622 125 T HA -0.209 4.142 4.350 0.001 0.000 0.266 125 T C 2.098 176.793 174.700 -0.009 0.000 1.047 125 T CA 1.833 63.927 62.100 -0.009 0.000 1.159 125 T CB -0.538 68.327 68.868 -0.004 0.000 0.863 125 T HN 0.568 nan 8.240 nan 0.000 0.422 126 A N 1.504 124.321 122.820 -0.005 0.000 1.908 126 A HA 0.048 4.369 4.320 0.001 0.000 0.218 126 A C 2.645 180.226 177.584 -0.005 0.000 1.181 126 A CA 2.087 54.122 52.037 -0.004 0.000 0.627 126 A CB -1.180 17.819 19.000 -0.001 0.000 0.818 126 A HN 0.534 nan 8.150 nan 0.000 0.445 127 A N -0.781 122.035 122.820 -0.007 0.000 1.933 127 A HA 0.010 4.330 4.320 0.001 0.000 0.218 127 A C 2.233 179.809 177.584 -0.014 0.000 1.175 127 A CA 1.797 53.828 52.037 -0.009 0.000 0.628 127 A CB -0.836 18.158 19.000 -0.010 0.000 0.814 127 A HN 0.399 nan 8.150 nan 0.000 0.444 128 V N 0.234 120.136 119.914 -0.020 0.000 2.358 128 V HA -0.181 3.940 4.120 0.001 0.000 0.246 128 V C 2.496 178.580 176.094 -0.017 0.000 1.047 128 V CA 1.958 64.243 62.300 -0.026 0.000 1.035 128 V CB -0.651 31.151 31.823 -0.035 0.000 0.658 128 V HN 0.533 nan 8.190 nan 0.000 0.452 129 E N -0.163 120.030 120.200 -0.012 0.000 2.110 129 E HA -0.190 4.161 4.350 0.001 0.000 0.193 129 E C 2.226 178.823 176.600 -0.005 0.000 0.988 129 E CA 0.948 57.343 56.400 -0.007 0.000 0.804 129 E CB -0.137 29.560 29.700 -0.005 0.000 0.745 129 E HN 0.587 nan 8.360 nan 0.000 0.458 130 E N 0.622 120.820 120.200 -0.004 0.000 2.158 130 E HA -0.036 4.315 4.350 0.001 0.000 0.191 130 E C 2.357 178.956 176.600 -0.002 0.000 0.982 130 E CA 0.172 56.572 56.400 -0.001 0.000 0.823 130 E CB -0.144 29.556 29.700 0.001 0.000 0.766 130 E HN 0.281 nan 8.360 nan 0.000 0.468 131 L N 0.554 121.773 121.223 -0.006 0.000 2.191 131 L HA -0.175 4.166 4.340 0.001 0.000 0.212 131 L C 2.039 178.906 176.870 -0.005 0.000 1.103 131 L CA 1.016 55.852 54.840 -0.007 0.000 0.769 131 L CB -0.145 41.906 42.059 -0.014 0.000 0.908 131 L HN -0.043 nan 8.230 nan 0.000 0.438 132 K N -0.289 120.107 120.400 -0.006 0.000 2.432 132 K HA 0.018 4.339 4.320 0.001 0.000 0.196 132 K C 1.764 178.364 176.600 -0.000 0.000 1.038 132 K CA 0.873 57.158 56.287 -0.004 0.000 0.986 132 K CB -0.026 32.471 32.500 -0.004 0.000 0.782 132 K HN 0.243 nan 8.250 nan 0.000 0.485 133 A N -0.713 122.107 122.820 0.001 0.000 2.169 133 A HA 0.133 4.454 4.320 0.001 0.000 0.210 133 A C 1.478 179.065 177.584 0.005 0.000 1.168 133 A CA 0.410 52.449 52.037 0.003 0.000 0.813 133 A CB 0.116 19.118 19.000 0.003 0.000 0.861 133 A HN 0.125 nan 8.150 nan 0.000 0.481 134 L N -0.877 120.349 121.223 0.005 0.000 2.357 134 L HA 0.219 4.559 4.340 0.001 0.000 0.211 134 L C 1.382 178.256 176.870 0.007 0.000 1.075 134 L CA 0.804 55.649 54.840 0.008 0.000 0.830 134 L CB -0.097 41.968 42.059 0.009 0.000 0.996 134 L HN 0.228 nan 8.230 nan 0.000 0.467 135 S N 0.525 116.228 115.700 0.004 0.000 2.498 135 S HA 0.275 4.745 4.470 0.001 0.000 0.281 135 S C -0.079 174.524 174.600 0.005 0.000 1.265 135 S CA -0.635 57.568 58.200 0.004 0.000 1.071 135 S CB 0.072 63.273 63.200 0.001 0.000 0.894 135 S HN 0.093 nan 8.310 nan 0.000 0.491 136 V N 4.689 124.607 119.914 0.006 0.000 2.546 136 V HA 0.583 4.704 4.120 0.001 0.000 0.284 136 V C -2.525 173.573 176.094 0.006 0.000 1.050 136 V CA -2.591 59.712 62.300 0.006 0.000 0.981 136 V CB 0.402 32.230 31.823 0.008 0.000 0.990 136 V HN 0.605 nan 8.190 nan 0.000 0.474 137 P HA 0.143 nan 4.420 nan 0.000 0.266 137 P C -0.395 176.908 177.300 0.005 0.000 1.195 137 P CA -0.024 63.079 63.100 0.005 0.000 0.768 137 P CB 0.396 32.099 31.700 0.004 0.000 0.838 138 C N 3.000 122.304 119.300 0.005 0.000 2.341 138 C HA 0.595 5.056 4.460 0.001 0.000 0.338 138 C C 0.662 175.655 174.990 0.004 0.000 1.257 138 C CA 0.601 59.622 59.018 0.005 0.000 1.883 138 C CB -0.391 27.352 27.740 0.006 0.000 2.334 138 C HN 0.745 nan 8.230 nan 0.000 0.524 139 S N 2.340 118.042 115.700 0.003 0.000 2.923 139 S HA 0.184 4.655 4.470 0.001 0.000 0.193 139 S C -1.109 173.491 174.600 0.001 0.000 0.775 139 S CA -0.331 57.870 58.200 0.002 0.000 1.205 139 S CB -0.613 62.588 63.200 0.002 0.000 1.330 139 S HN 0.854 nan 8.310 nan 0.000 0.555 140 D N 0.587 120.988 120.400 0.001 0.000 2.934 140 D HA 0.458 5.099 4.640 0.001 0.000 0.230 140 D C 0.555 176.855 176.300 -0.001 0.000 1.204 140 D CA -0.282 53.718 54.000 0.000 0.000 0.873 140 D CB 2.450 43.251 40.800 0.001 0.000 1.645 140 D HN 0.002 nan 8.370 nan 0.000 0.502 141 S N 2.623 118.322 115.700 -0.001 0.000 2.399 141 S HA -0.171 4.300 4.470 0.001 0.000 0.231 141 S C 1.685 176.283 174.600 -0.003 0.000 1.022 141 S CA 0.998 59.196 58.200 -0.003 0.000 0.983 141 S CB 0.094 63.292 63.200 -0.003 0.000 0.803 141 S HN 0.567 nan 8.310 nan 0.000 0.480 142 K N 1.629 122.028 120.400 -0.002 0.000 2.025 142 K HA -0.035 4.286 4.320 0.001 0.000 0.207 142 K C 2.263 178.862 176.600 -0.002 0.000 1.049 142 K CA 1.180 57.466 56.287 -0.002 0.000 0.933 142 K CB -0.380 32.120 32.500 -0.001 0.000 0.714 142 K HN 0.291 nan 8.250 nan 0.000 0.438 143 A N 1.403 124.223 122.820 -0.000 0.000 1.902 143 A HA -0.109 4.212 4.320 0.001 0.000 0.217 143 A C 2.098 179.682 177.584 0.000 0.000 1.181 143 A CA 1.397 53.434 52.037 0.001 0.000 0.623 143 A CB -0.568 18.433 19.000 0.002 0.000 0.818 143 A HN 0.360 nan 8.150 nan 0.000 0.443 144 I N -0.140 120.430 120.570 -0.000 0.000 2.127 144 I HA -0.339 3.832 4.170 0.001 0.000 0.241 144 I C 3.013 179.129 176.117 -0.002 0.000 1.075 144 I CA 1.248 62.547 61.300 -0.001 0.000 1.334 144 I CB -0.391 37.608 38.000 -0.002 0.000 1.040 144 I HN 0.369 nan 8.210 nan 0.000 0.405 145 A N 0.013 122.831 122.820 -0.003 0.000 1.883 145 A HA -0.285 4.036 4.320 0.001 0.000 0.217 145 A C 2.259 179.840 177.584 -0.004 0.000 1.186 145 A CA 1.785 53.819 52.037 -0.004 0.000 0.624 145 A CB -0.704 18.293 19.000 -0.005 0.000 0.822 145 A HN 0.492 nan 8.150 nan 0.000 0.444 146 Q N -0.481 119.317 119.800 -0.004 0.000 2.020 146 Q HA -0.146 4.194 4.340 0.001 0.000 0.202 146 Q C 2.231 178.229 176.000 -0.003 0.000 0.982 146 Q CA 2.231 58.031 55.803 -0.005 0.000 0.838 146 Q CB -0.538 28.197 28.738 -0.005 0.000 0.899 146 Q HN 0.766 nan 8.270 nan 0.000 0.423 147 V N -2.339 117.575 119.914 0.001 0.000 2.759 147 V HA -0.055 4.066 4.120 0.001 0.000 0.256 147 V C 1.828 177.926 176.094 0.007 0.000 1.080 147 V CA 1.891 64.193 62.300 0.005 0.000 1.101 147 V CB -1.241 30.587 31.823 0.009 0.000 0.698 147 V HN 0.337 nan 8.190 nan 0.000 0.477 148 G N 0.380 109.182 108.800 0.004 0.000 2.424 148 G HA2 -0.161 3.800 3.960 0.001 0.000 0.214 148 G HA3 -0.161 3.800 3.960 0.001 0.000 0.214 148 G C 1.543 176.444 174.900 0.002 0.000 1.202 148 G CA 1.270 46.373 45.100 0.004 0.000 0.793 148 G HN 0.442 nan 8.290 nan 0.000 0.534 149 T N 1.407 115.960 114.554 -0.002 0.000 2.803 149 T HA -0.120 4.231 4.350 0.001 0.000 0.269 149 T C 2.338 177.034 174.700 -0.007 0.000 1.052 149 T CA 1.004 63.100 62.100 -0.006 0.000 1.136 149 T CB -0.138 68.724 68.868 -0.009 0.000 0.864 149 T HN 0.084 nan 8.240 nan 0.000 0.467 150 I N 0.583 121.149 120.570 -0.007 0.000 2.252 150 I HA -0.069 4.101 4.170 0.001 0.000 0.245 150 I C 2.609 178.723 176.117 -0.004 0.000 1.102 150 I CA 1.115 62.409 61.300 -0.009 0.000 1.385 150 I CB -0.591 37.403 38.000 -0.010 0.000 1.064 150 I HN 0.127 nan 8.210 nan 0.000 0.414 151 S N -0.324 115.378 115.700 0.003 0.000 2.425 151 S HA 0.076 4.547 4.470 0.001 0.000 0.225 151 S C 2.092 176.697 174.600 0.008 0.000 1.024 151 S CA 0.781 58.986 58.200 0.009 0.000 0.951 151 S CB -0.243 62.968 63.200 0.019 0.000 0.796 151 S HN 0.418 nan 8.310 nan 0.000 0.498 152 A N 1.413 124.237 122.820 0.007 0.000 2.248 152 A HA 0.127 4.448 4.320 0.001 0.000 0.210 152 A C 0.805 178.389 177.584 -0.000 0.000 1.174 152 A CA 0.611 52.652 52.037 0.005 0.000 0.750 152 A CB -0.643 18.359 19.000 0.004 0.000 0.780 152 A HN 0.733 nan 8.150 nan 0.000 0.478 153 N N -1.111 117.587 118.700 -0.004 0.000 2.846 153 N HA -0.195 4.546 4.740 0.001 0.000 0.249 153 N C 0.085 175.588 175.510 -0.012 0.000 1.090 153 N CA 0.695 53.740 53.050 -0.008 0.000 0.674 153 N CB -1.257 37.227 38.487 -0.006 0.000 0.938 153 N HN 0.510 nan 8.380 nan 0.000 0.559 154 S N -1.370 114.321 115.700 -0.015 0.000 3.018 154 S HA -0.190 4.281 4.470 0.001 0.000 0.274 154 S C -0.171 174.421 174.600 -0.014 0.000 1.300 154 S CA 0.898 59.087 58.200 -0.018 0.000 1.179 154 S CB -0.893 62.294 63.200 -0.022 0.000 1.427 154 S HN 0.697 nan 8.310 nan 0.000 0.668 155 D N 2.084 122.478 120.400 -0.010 0.000 2.489 155 D HA 0.138 4.778 4.640 0.001 0.000 0.237 155 D C 1.138 177.433 176.300 -0.008 0.000 1.212 155 D CA 0.143 54.139 54.000 -0.008 0.000 1.058 155 D CB 0.074 40.871 40.800 -0.005 0.000 1.098 155 D HN 0.546 nan 8.370 nan 0.000 0.509 156 E N 0.443 120.637 120.200 -0.010 0.000 2.265 156 E HA -0.149 4.201 4.350 0.001 0.000 0.196 156 E C 1.629 178.224 176.600 -0.008 0.000 0.996 156 E CA 1.112 57.507 56.400 -0.009 0.000 0.832 156 E CB 0.274 29.968 29.700 -0.010 0.000 0.756 156 E HN 0.557 nan 8.360 nan 0.000 0.491 157 T N -0.458 114.092 114.554 -0.007 0.000 2.732 157 T HA -0.096 4.254 4.350 0.001 0.000 0.261 157 T C 2.182 176.878 174.700 -0.006 0.000 1.040 157 T CA 0.782 62.878 62.100 -0.007 0.000 1.145 157 T CB -0.601 68.263 68.868 -0.006 0.000 0.866 157 T HN -0.042 nan 8.240 nan 0.000 0.427 158 V N 2.072 121.982 119.914 -0.006 0.000 2.343 158 V HA -0.058 4.062 4.120 0.001 0.000 0.247 158 V C 3.007 179.097 176.094 -0.006 0.000 1.051 158 V CA 1.968 64.264 62.300 -0.006 0.000 1.036 158 V CB -1.474 30.347 31.823 -0.004 0.000 0.654 158 V HN 0.689 nan 8.190 nan 0.000 0.451 159 G N -0.270 108.526 108.800 -0.006 0.000 2.421 159 G HA2 -0.324 3.636 3.960 0.001 0.000 0.216 159 G HA3 -0.324 3.636 3.960 0.001 0.000 0.216 159 G C 1.591 176.486 174.900 -0.007 0.000 1.171 159 G CA 1.172 46.269 45.100 -0.006 0.000 0.775 159 G HN 0.460 nan 8.290 nan 0.000 0.543 160 K N 0.013 120.409 120.400 -0.007 0.000 2.057 160 K HA 0.023 4.343 4.320 0.001 0.000 0.207 160 K C 2.311 178.906 176.600 -0.008 0.000 1.049 160 K CA 0.875 57.158 56.287 -0.007 0.000 0.931 160 K CB -0.637 31.859 32.500 -0.007 0.000 0.714 160 K HN 0.250 nan 8.250 nan 0.000 0.440 161 L N 0.527 121.745 121.223 -0.008 0.000 2.027 161 L HA 0.010 4.351 4.340 0.001 0.000 0.206 161 L C 2.029 178.892 176.870 -0.011 0.000 1.074 161 L CA 1.554 56.389 54.840 -0.009 0.000 0.745 161 L CB -0.299 41.755 42.059 -0.009 0.000 0.898 161 L HN 0.245 nan 8.230 nan 0.000 0.433 162 I N -0.833 119.730 120.570 -0.012 0.000 2.252 162 I HA -0.274 3.896 4.170 0.001 0.000 0.245 162 I C 2.537 178.647 176.117 -0.012 0.000 1.102 162 I CA 1.068 62.360 61.300 -0.014 0.000 1.385 162 I CB -0.593 37.398 38.000 -0.016 0.000 1.064 162 I HN 0.320 nan 8.210 nan 0.000 0.414 163 A N 0.442 123.257 122.820 -0.010 0.000 1.902 163 A HA -0.221 4.100 4.320 0.001 0.000 0.217 163 A C 2.227 179.807 177.584 -0.008 0.000 1.181 163 A CA 1.622 53.654 52.037 -0.008 0.000 0.623 163 A CB -0.560 18.436 19.000 -0.007 0.000 0.818 163 A HN 0.417 nan 8.150 nan 0.000 0.443 164 E N -0.350 119.845 120.200 -0.008 0.000 2.110 164 E HA -0.125 4.226 4.350 0.001 0.000 0.193 164 E C 2.330 178.924 176.600 -0.009 0.000 0.988 164 E CA 0.877 57.273 56.400 -0.008 0.000 0.804 164 E CB -0.264 29.431 29.700 -0.008 0.000 0.745 164 E HN 0.628 nan 8.360 nan 0.000 0.458 165 A N 1.194 124.007 122.820 -0.011 0.000 1.858 165 A HA -0.195 4.126 4.320 0.001 0.000 0.216 165 A C 2.174 179.751 177.584 -0.012 0.000 1.190 165 A CA 1.393 53.422 52.037 -0.012 0.000 0.617 165 A CB -0.453 18.538 19.000 -0.015 0.000 0.827 165 A HN 0.136 nan 8.150 nan 0.000 0.443 166 M N -0.704 118.889 119.600 -0.012 0.000 2.159 166 M HA -0.156 4.325 4.480 0.001 0.000 0.263 166 M C 1.899 178.194 176.300 -0.008 0.000 1.063 166 M CA 1.740 57.034 55.300 -0.011 0.000 1.110 166 M CB -0.590 32.004 32.600 -0.010 0.000 1.374 166 M HN 0.516 nan 8.290 nan 0.000 0.411 167 D N 0.541 120.936 120.400 -0.007 0.000 2.221 167 D HA -0.161 4.480 4.640 0.001 0.000 0.204 167 D C 1.465 177.761 176.300 -0.006 0.000 0.982 167 D CA 1.247 55.244 54.000 -0.006 0.000 0.857 167 D CB 0.281 41.077 40.800 -0.006 0.000 0.934 167 D HN 0.261 nan 8.370 nan 0.000 0.475 168 K N -0.450 119.945 120.400 -0.007 0.000 2.276 168 K HA 0.010 4.331 4.320 0.001 0.000 0.198 168 K C 1.861 178.456 176.600 -0.008 0.000 1.052 168 K CA 0.336 56.619 56.287 -0.007 0.000 0.984 168 K CB 0.420 32.915 32.500 -0.008 0.000 0.836 168 K HN 0.089 nan 8.250 nan 0.000 0.490 169 V N -2.712 117.197 119.914 -0.008 0.000 3.354 169 V HA 0.372 4.493 4.120 0.001 0.000 0.258 169 V C 0.917 177.007 176.094 -0.008 0.000 1.159 169 V CA 0.402 62.697 62.300 -0.008 0.000 1.125 169 V CB -0.836 30.981 31.823 -0.010 0.000 0.774 169 V HN 0.279 nan 8.190 nan 0.000 0.464 170 G N 0.775 109.570 108.800 -0.007 0.000 2.782 170 G HA2 -0.248 3.713 3.960 0.001 0.000 0.228 170 G HA3 -0.248 3.713 3.960 0.001 0.000 0.228 170 G C 0.255 175.152 174.900 -0.006 0.000 1.372 170 G CA 0.292 45.389 45.100 -0.006 0.000 0.862 170 G HN 0.404 nan 8.290 nan 0.000 0.547 171 K N 0.078 120.475 120.400 -0.004 0.000 2.009 171 K HA -0.096 4.224 4.320 0.001 0.000 0.210 171 K C 2.207 178.805 176.600 -0.003 0.000 1.049 171 K CA 2.075 58.361 56.287 -0.003 0.000 0.929 171 K CB -0.150 32.349 32.500 -0.001 0.000 0.714 171 K HN 0.509 nan 8.250 nan 0.000 0.440 172 E N 0.302 120.500 120.200 -0.004 0.000 2.516 172 E HA 0.013 4.364 4.350 0.001 0.000 0.199 172 E C 0.429 177.024 176.600 -0.008 0.000 1.069 172 E CA 0.108 56.505 56.400 -0.005 0.000 0.876 172 E CB 0.121 29.818 29.700 -0.005 0.000 0.843 172 E HN 0.300 nan 8.360 nan 0.000 0.530 173 G N 0.184 108.979 108.800 -0.008 0.000 2.491 173 G HA2 0.285 4.246 3.960 0.001 0.000 0.242 173 G HA3 0.285 4.246 3.960 0.001 0.000 0.242 173 G C -0.327 174.565 174.900 -0.014 0.000 1.266 173 G CA -0.468 44.626 45.100 -0.010 0.000 0.844 173 G HN 0.021 nan 8.290 nan 0.000 0.571 174 V N 2.858 122.763 119.914 -0.014 0.000 2.483 174 V HA 0.459 4.579 4.120 0.001 0.000 0.295 174 V C 0.114 176.196 176.094 -0.020 0.000 1.035 174 V CA -0.477 61.812 62.300 -0.018 0.000 0.896 174 V CB 1.495 33.309 31.823 -0.015 0.000 0.986 174 V HN 0.577 nan 8.190 nan 0.000 0.447 175 I N 3.889 124.443 120.570 -0.027 0.000 2.436 175 I HA 0.498 4.668 4.170 0.001 0.000 0.289 175 I C 0.049 176.148 176.117 -0.029 0.000 1.010 175 I CA -0.371 60.913 61.300 -0.027 0.000 1.098 175 I CB 2.336 40.317 38.000 -0.032 0.000 1.266 175 I HN 0.699 nan 8.210 nan 0.000 0.434 176 T N 3.042 117.584 114.554 -0.021 0.000 2.797 176 T HA 0.587 4.938 4.350 0.001 0.000 0.279 176 T C -0.569 174.121 174.700 -0.015 0.000 0.991 176 T CA -0.763 61.327 62.100 -0.016 0.000 0.979 176 T CB 2.016 70.880 68.868 -0.008 0.000 0.943 176 T HN 0.298 nan 8.240 nan 0.000 0.444 177 V N 2.583 122.488 119.914 -0.014 0.000 2.481 177 V HA 0.570 4.691 4.120 0.001 0.000 0.286 177 V C -0.625 175.467 176.094 -0.003 0.000 1.042 177 V CA -0.403 61.891 62.300 -0.010 0.000 0.928 177 V CB 1.218 33.034 31.823 -0.012 0.000 0.986 177 V HN 1.048 nan 8.190 nan 0.000 0.462 178 E N 3.569 123.767 120.200 -0.003 0.000 2.292 178 E HA 0.328 4.679 4.350 0.001 0.000 0.272 178 E C -1.648 174.952 176.600 -0.000 0.000 0.881 178 E CA -0.882 55.517 56.400 -0.001 0.000 0.754 178 E CB 1.769 31.468 29.700 -0.003 0.000 1.201 178 E HN 0.653 nan 8.360 nan 0.000 0.425 179 D N 2.203 122.604 120.400 0.002 0.000 2.426 179 D HA 0.127 4.767 4.640 0.001 0.000 0.261 179 D C 0.339 176.639 176.300 0.000 0.000 1.245 179 D CA 0.547 54.548 54.000 0.003 0.000 0.917 179 D CB 0.707 41.510 40.800 0.004 0.000 1.123 179 D HN 0.507 nan 8.370 nan 0.000 0.508 180 G N 0.586 109.386 108.800 -0.000 0.000 2.583 180 G HA2 0.458 4.419 3.960 0.001 0.000 0.280 180 G HA3 0.458 4.419 3.960 0.001 0.000 0.280 180 G C 0.676 175.575 174.900 -0.001 0.000 1.376 180 G CA -0.074 45.025 45.100 -0.002 0.000 1.043 180 G HN 0.433 nan 8.290 nan 0.000 0.538 181 T N -4.234 110.319 114.554 -0.002 0.000 3.131 181 T HA 0.372 4.723 4.350 0.001 0.000 0.283 181 T C 0.815 175.514 174.700 -0.002 0.000 0.906 181 T CA 0.647 62.746 62.100 -0.001 0.000 0.882 181 T CB 0.323 69.190 68.868 -0.002 0.000 1.208 181 T HN 0.922 nan 8.240 nan 0.000 0.561 182 G N 0.911 109.710 108.800 -0.002 0.000 2.461 182 G HA2 0.612 4.573 3.960 0.001 0.000 0.329 182 G HA3 0.612 4.573 3.960 0.001 0.000 0.329 182 G C 0.139 175.037 174.900 -0.002 0.000 1.170 182 G CA -1.064 44.035 45.100 -0.003 0.000 0.935 182 G HN 0.338 nan 8.290 nan 0.000 0.492 183 L N 0.148 121.370 121.223 -0.002 0.000 2.718 183 L HA 0.190 4.531 4.340 0.001 0.000 0.242 183 L C 0.362 177.230 176.870 -0.003 0.000 1.203 183 L CA 0.103 54.941 54.840 -0.002 0.000 1.011 183 L CB -1.034 41.024 42.059 -0.002 0.000 1.250 183 L HN 0.667 nan 8.230 nan 0.000 0.437 184 Q N -2.425 117.373 119.800 -0.003 0.000 2.430 184 Q HA 0.306 4.647 4.340 0.001 0.000 0.253 184 Q C -1.540 174.457 176.000 -0.005 0.000 0.945 184 Q CA -0.740 55.060 55.803 -0.004 0.000 0.964 184 Q CB 0.603 29.339 28.738 -0.005 0.000 1.460 184 Q HN -0.030 nan 8.270 nan 0.000 0.428 185 D N 1.868 122.265 120.400 -0.005 0.000 2.390 185 D HA 0.207 4.848 4.640 0.001 0.000 0.249 185 D C -0.766 175.530 176.300 -0.007 0.000 1.144 185 D CA -0.052 53.944 54.000 -0.006 0.000 0.880 185 D CB 0.986 41.782 40.800 -0.006 0.000 1.182 185 D HN 0.550 nan 8.370 nan 0.000 0.451 186 E N 2.139 122.335 120.200 -0.008 0.000 2.129 186 E HA 0.277 4.627 4.350 0.001 0.000 0.268 186 E C -1.364 175.230 176.600 -0.010 0.000 0.900 186 E CA -0.975 55.419 56.400 -0.009 0.000 0.755 186 E CB 0.741 30.436 29.700 -0.009 0.000 1.117 186 E HN 0.271 nan 8.360 nan 0.000 0.410 187 L N 5.774 126.991 121.223 -0.010 0.000 2.282 187 L HA 0.289 4.630 4.340 0.001 0.000 0.287 187 L C -0.891 175.972 176.870 -0.012 0.000 1.075 187 L CA -0.148 54.686 54.840 -0.011 0.000 0.839 187 L CB 0.573 42.626 42.059 -0.011 0.000 1.219 187 L HN 0.485 nan 8.230 nan 0.000 0.434 188 D N 4.285 124.677 120.400 -0.013 0.000 2.351 188 D HA 0.222 4.863 4.640 0.001 0.000 0.251 188 D C -0.539 175.752 176.300 -0.014 0.000 1.137 188 D CA 0.104 54.095 54.000 -0.014 0.000 0.879 188 D CB 2.010 42.800 40.800 -0.016 0.000 1.181 188 D HN 0.271 nan 8.370 nan 0.000 0.448 189 V N 2.781 122.687 119.914 -0.014 0.000 2.495 189 V HA 0.334 4.455 4.120 0.001 0.000 0.298 189 V C 0.159 176.245 176.094 -0.014 0.000 1.031 189 V CA -0.759 61.533 62.300 -0.013 0.000 0.871 189 V CB 2.123 33.939 31.823 -0.011 0.000 0.988 189 V HN 0.243 nan 8.190 nan 0.000 0.432 190 V N 4.054 123.960 119.914 -0.013 0.000 2.531 190 V HA 0.490 4.611 4.120 0.001 0.000 0.301 190 V C -0.290 175.798 176.094 -0.010 0.000 1.034 190 V CA -0.728 61.563 62.300 -0.014 0.000 0.865 190 V CB 1.930 33.742 31.823 -0.017 0.000 0.995 190 V HN 0.819 nan 8.190 nan 0.000 0.424 191 E N 2.560 122.754 120.200 -0.010 0.000 2.242 191 E HA 0.669 5.020 4.350 0.001 0.000 0.275 191 E C 0.602 177.199 176.600 -0.005 0.000 1.002 191 E CA 0.622 57.018 56.400 -0.007 0.000 0.841 191 E CB 1.960 31.655 29.700 -0.008 0.000 1.109 191 E HN 1.060 nan 8.360 nan 0.000 0.394 192 G N 1.930 110.731 108.800 0.000 0.000 2.632 192 G HA2 -0.272 3.688 3.960 0.001 0.000 0.224 192 G HA3 -0.272 3.688 3.960 0.001 0.000 0.224 192 G C -0.381 174.529 174.900 0.018 0.000 1.341 192 G CA -0.117 44.987 45.100 0.007 0.000 0.880 192 G HN 0.515 nan 8.290 nan 0.000 0.566 193 M N 1.295 120.916 119.600 0.036 0.000 2.152 193 M HA 0.467 4.947 4.480 0.001 0.000 0.354 193 M C 0.280 176.628 176.300 0.079 0.000 1.173 193 M CA -0.344 54.999 55.300 0.071 0.000 1.110 193 M CB 0.514 33.174 32.600 0.100 0.000 1.366 193 M HN 0.626 nan 8.290 nan 0.000 0.415 194 Q N 5.319 125.144 119.800 0.042 0.000 2.294 194 Q HA 0.409 4.750 4.340 0.001 0.000 0.257 194 Q C -1.585 174.466 176.000 0.085 0.000 0.955 194 Q CA -0.436 55.364 55.803 -0.006 0.000 0.936 194 Q CB 0.751 29.467 28.738 -0.037 0.000 1.188 194 Q HN 0.703 nan 8.270 nan 0.000 0.420 195 F N 0.682 120.620 119.950 -0.022 0.000 2.561 195 F HA 0.504 5.032 4.527 0.001 0.000 0.321 195 F C -0.879 174.906 175.800 -0.025 0.000 1.065 195 F CA -1.294 56.691 58.000 -0.024 0.000 0.934 195 F CB 1.141 40.127 39.000 -0.024 0.000 1.215 195 F HN 0.343 nan 8.300 nan 0.000 0.471 196 D N 2.222 122.752 120.400 0.218 0.000 2.619 196 D HA 0.394 5.035 4.640 0.001 0.000 0.224 196 D C -0.747 175.624 176.300 0.118 0.000 1.133 196 D CA 0.191 54.242 54.000 0.084 0.000 1.017 196 D CB 0.113 40.957 40.800 0.074 0.000 1.077 196 D HN 0.440 nan 8.370 nan 0.000 0.503 197 R N 0.418 120.929 120.500 0.019 0.000 2.563 197 R HA 0.594 4.935 4.340 0.001 0.000 0.262 197 R C -0.243 175.974 176.300 -0.138 0.000 1.128 197 R CA -0.608 55.501 56.100 0.015 0.000 0.969 197 R CB 1.456 31.884 30.300 0.213 0.000 1.251 197 R HN 0.300 nan 8.270 nan 0.000 0.442 198 G N 1.146 109.854 108.800 -0.153 0.000 2.613 198 G HA2 0.361 4.322 3.960 0.001 0.000 0.303 198 G HA3 0.361 4.322 3.960 0.001 0.000 0.303 198 G C -0.922 173.871 174.900 -0.179 0.000 1.312 198 G CA -0.589 44.354 45.100 -0.262 0.000 1.036 198 G HN 0.547 nan 8.290 nan 0.000 0.513 199 Y N -1.133 119.146 120.300 -0.036 0.000 2.597 199 Y HA 0.294 4.845 4.550 0.001 0.000 0.336 199 Y C 1.109 177.028 175.900 0.032 0.000 1.216 199 Y CA -0.911 57.186 58.100 -0.005 0.000 1.463 199 Y CB 0.410 38.853 38.460 -0.028 0.000 1.303 199 Y HN 0.181 nan 8.280 nan 0.000 0.576 200 L N 1.958 123.341 121.223 0.267 0.000 2.554 200 L HA 0.109 4.450 4.340 0.001 0.000 0.226 200 L C 0.671 177.693 176.870 0.253 0.000 1.137 200 L CA 0.758 55.724 54.840 0.209 0.000 0.863 200 L CB -0.137 42.011 42.059 0.148 0.000 0.985 200 L HN 0.781 nan 8.230 nan 0.000 0.451 201 S N -1.124 114.772 115.700 0.326 0.000 2.543 201 S HA 0.371 4.842 4.470 0.001 0.000 0.273 201 S C -2.238 172.397 174.600 0.058 0.000 1.152 201 S CA -0.843 57.506 58.200 0.248 0.000 0.910 201 S CB 1.749 65.071 63.200 0.203 0.000 1.105 201 S HN -0.173 nan 8.310 nan 0.000 0.465 202 P HA 0.100 nan 4.420 nan 0.000 0.245 202 P C 0.652 177.812 177.300 -0.232 0.000 1.206 202 P CA 0.355 63.255 63.100 -0.332 0.000 0.781 202 P CB -0.139 31.485 31.700 -0.126 0.000 0.994 203 Y N -1.307 118.959 120.300 -0.057 0.000 2.639 203 Y HA 0.008 4.559 4.550 0.001 0.000 0.297 203 Y C 1.789 177.728 175.900 0.064 0.000 1.151 203 Y CA 0.848 58.946 58.100 -0.003 0.000 1.335 203 Y CB -0.491 37.974 38.460 0.009 0.000 0.994 203 Y HN -0.031 nan 8.280 nan 0.000 0.548 204 F N -0.050 119.856 119.950 -0.074 0.000 2.684 204 F HA 0.279 4.807 4.527 0.001 0.000 0.298 204 F C 0.103 175.795 175.800 -0.178 0.000 1.120 204 F CA -0.388 57.555 58.000 -0.094 0.000 1.332 204 F CB 0.132 39.101 39.000 -0.052 0.000 0.986 204 F HN -0.190 nan 8.300 nan 0.000 0.524 205 I N 3.381 123.851 120.570 -0.166 0.000 2.593 205 I HA -0.143 4.028 4.170 0.001 0.000 0.304 205 I C 1.377 177.445 176.117 -0.082 0.000 1.176 205 I CA 0.195 61.362 61.300 -0.222 0.000 1.533 205 I CB -0.230 37.617 38.000 -0.256 0.000 1.492 205 I HN 0.392 nan 8.210 nan 0.000 0.704 206 N N 5.217 123.894 118.700 -0.039 0.000 2.515 206 N HA -0.085 4.656 4.740 0.001 0.000 0.185 206 N C 0.235 175.739 175.510 -0.009 0.000 1.109 206 N CA 0.439 53.513 53.050 0.040 0.000 0.903 206 N CB 0.356 38.930 38.487 0.145 0.000 0.969 206 N HN 0.338 nan 8.380 nan 0.000 0.450 207 K N 1.349 121.721 120.400 -0.047 0.000 2.499 207 K HA 0.272 4.593 4.320 0.001 0.000 0.215 207 K C -1.983 174.588 176.600 -0.048 0.000 1.041 207 K CA -1.870 54.393 56.287 -0.040 0.000 1.031 207 K CB 1.814 34.290 32.500 -0.040 0.000 1.479 207 K HN -0.008 nan 8.250 nan 0.000 0.518 208 P HA -0.162 nan 4.420 nan 0.000 0.222 208 P C 0.464 177.743 177.300 -0.035 0.000 1.142 208 P CA 1.136 64.207 63.100 -0.048 0.000 0.788 208 P CB 0.415 32.087 31.700 -0.046 0.000 0.767 209 E N -1.293 118.891 120.200 -0.028 0.000 2.265 209 E HA -0.115 4.236 4.350 0.001 0.000 0.196 209 E C 1.600 178.188 176.600 -0.020 0.000 0.996 209 E CA 1.871 58.258 56.400 -0.021 0.000 0.832 209 E CB -0.674 29.015 29.700 -0.018 0.000 0.756 209 E HN 0.426 nan 8.360 nan 0.000 0.491 210 T N -6.471 108.069 114.554 -0.023 0.000 3.029 210 T HA 0.371 4.722 4.350 0.001 0.000 0.256 210 T C 1.570 176.263 174.700 -0.011 0.000 0.914 210 T CA 0.143 62.233 62.100 -0.018 0.000 0.880 210 T CB 0.746 69.602 68.868 -0.021 0.000 1.246 210 T HN 0.223 nan 8.240 nan 0.000 0.523 211 G N 1.651 110.441 108.800 -0.018 0.000 2.157 211 G HA2 0.090 4.051 3.960 0.001 0.000 0.239 211 G HA3 0.090 4.051 3.960 0.001 0.000 0.239 211 G C 0.259 175.168 174.900 0.015 0.000 0.982 211 G CA -0.071 45.031 45.100 0.003 0.000 0.650 211 G HN 1.246 nan 8.290 nan 0.000 0.527 212 A N -0.359 122.444 122.820 -0.028 0.000 2.293 212 A HA 0.812 5.133 4.320 0.001 0.000 0.302 212 A C 0.323 177.818 177.584 -0.149 0.000 1.119 212 A CA 0.016 52.026 52.037 -0.045 0.000 0.823 212 A CB 1.421 20.392 19.000 -0.048 0.000 1.097 212 A HN 1.149 nan 8.150 nan 0.000 0.491 213 V N 1.841 121.632 119.914 -0.205 0.000 2.427 213 V HA 0.382 4.503 4.120 0.001 0.000 0.286 213 V C -0.096 175.803 176.094 -0.326 0.000 1.034 213 V CA -0.370 61.668 62.300 -0.437 0.000 0.893 213 V CB 1.158 32.619 31.823 -0.603 0.000 0.982 213 V HN 0.950 nan 8.190 nan 0.000 0.452 214 E N 4.817 124.827 120.200 -0.318 0.000 2.199 214 E HA 0.589 4.940 4.350 0.001 0.000 0.265 214 E C -1.441 175.118 176.600 -0.068 0.000 0.882 214 E CA -0.580 55.734 56.400 -0.143 0.000 0.759 214 E CB 2.359 32.019 29.700 -0.068 0.000 1.148 214 E HN 0.524 nan 8.360 nan 0.000 0.412 215 L N 2.831 124.037 121.223 -0.028 0.000 2.316 215 L HA 0.409 4.750 4.340 0.001 0.000 0.280 215 L C -0.306 176.579 176.870 0.025 0.000 1.006 215 L CA -0.763 54.105 54.840 0.046 0.000 0.836 215 L CB 1.313 43.406 42.059 0.057 0.000 1.221 215 L HN 0.440 nan 8.230 nan 0.000 0.418 216 E N 1.628 121.848 120.200 0.034 0.000 2.200 216 E HA 0.195 4.546 4.350 0.001 0.000 0.283 216 E C 0.441 177.037 176.600 -0.007 0.000 1.015 216 E CA 0.047 56.453 56.400 0.010 0.000 0.819 216 E CB 1.268 30.977 29.700 0.016 0.000 1.081 216 E HN 0.489 nan 8.360 nan 0.000 0.397 217 S N 4.021 119.699 115.700 -0.036 0.000 3.477 217 S HA -0.117 4.354 4.470 0.001 0.000 0.371 217 S C -2.382 172.139 174.600 -0.132 0.000 0.965 217 S CA 0.245 58.394 58.200 -0.085 0.000 1.239 217 S CB -0.859 62.289 63.200 -0.087 0.000 0.918 217 S HN 0.444 nan 8.310 nan 0.000 0.498 218 P HA 0.370 nan 4.420 nan 0.000 0.277 218 P C 0.200 177.410 177.300 -0.151 0.000 1.240 218 P CA -0.567 62.507 63.100 -0.043 0.000 0.798 218 P CB 0.383 32.112 31.700 0.048 0.000 0.979 219 F N 0.898 120.873 119.950 0.042 0.000 2.406 219 F HA 0.364 4.892 4.527 0.001 0.000 0.327 219 F C 1.024 176.852 175.800 0.047 0.000 1.153 219 F CA 0.206 58.228 58.000 0.038 0.000 1.218 219 F CB 0.327 39.346 39.000 0.032 0.000 1.215 219 F HN 0.061 nan 8.300 nan 0.000 0.570 220 I N 3.371 124.096 120.570 0.259 0.000 2.534 220 I HA 0.238 4.409 4.170 0.001 0.000 0.286 220 I C -1.442 174.754 176.117 0.131 0.000 1.094 220 I CA -0.757 60.641 61.300 0.162 0.000 1.055 220 I CB 1.929 40.001 38.000 0.120 0.000 1.225 220 I HN 0.269 nan 8.210 nan 0.000 0.435 221 L N 7.832 129.116 121.223 0.102 0.000 2.295 221 L HA 0.631 4.972 4.340 0.001 0.000 0.285 221 L C -1.146 175.752 176.870 0.047 0.000 1.035 221 L CA -0.085 54.793 54.840 0.063 0.000 0.806 221 L CB 1.189 43.277 42.059 0.048 0.000 1.214 221 L HN 0.444 nan 8.230 nan 0.000 0.426 222 L N 5.542 126.779 121.223 0.025 0.000 2.341 222 L HA 0.919 5.260 4.340 0.001 0.000 0.278 222 L C -0.469 176.399 176.870 -0.003 0.000 1.005 222 L CA -0.676 54.165 54.840 0.002 0.000 0.818 222 L CB 1.670 43.721 42.059 -0.013 0.000 1.259 222 L HN 0.792 nan 8.230 nan 0.000 0.418 223 A N 1.150 123.965 122.820 -0.008 0.000 2.488 223 A HA 0.416 4.736 4.320 0.001 0.000 0.298 223 A C -0.518 177.058 177.584 -0.013 0.000 1.044 223 A CA -0.453 51.580 52.037 -0.007 0.000 0.693 223 A CB 1.664 20.666 19.000 0.004 0.000 1.272 223 A HN 0.753 nan 8.150 nan 0.000 0.402 224 D N 0.830 121.222 120.400 -0.014 0.000 2.325 224 D HA 0.173 4.814 4.640 0.001 0.000 0.225 224 D C 0.207 176.503 176.300 -0.006 0.000 1.096 224 D CA 0.489 54.480 54.000 -0.016 0.000 0.844 224 D CB -0.056 40.733 40.800 -0.019 0.000 0.925 224 D HN 0.511 nan 8.370 nan 0.000 0.513 225 K N -0.453 119.947 120.400 -0.001 0.000 2.371 225 K HA 0.351 4.672 4.320 0.001 0.000 0.251 225 K C -0.532 176.074 176.600 0.010 0.000 0.934 225 K CA -1.033 55.257 56.287 0.005 0.000 0.798 225 K CB 1.078 33.580 32.500 0.004 0.000 1.204 225 K HN -0.111 nan 8.250 nan 0.000 0.427 226 K N 2.692 123.099 120.400 0.013 0.000 2.414 226 K HA 0.237 4.558 4.320 0.001 0.000 0.272 226 K C -0.604 176.006 176.600 0.016 0.000 0.993 226 K CA -0.198 56.100 56.287 0.017 0.000 0.964 226 K CB 0.317 32.829 32.500 0.019 0.000 0.925 226 K HN 0.614 nan 8.250 nan 0.000 0.487 227 I N 1.205 121.787 120.570 0.020 0.000 2.693 227 I HA 0.144 4.314 4.170 0.001 0.000 0.303 227 I C 0.603 176.732 176.117 0.019 0.000 1.025 227 I CA -0.530 60.781 61.300 0.019 0.000 1.086 227 I CB 2.032 40.045 38.000 0.022 0.000 1.268 227 I HN 0.968 nan 8.210 nan 0.000 0.440 228 S N 2.349 118.058 115.700 0.015 0.000 2.786 228 S HA 0.202 4.673 4.470 0.001 0.000 0.269 228 S C -0.149 174.457 174.600 0.010 0.000 1.040 228 S CA -0.203 58.005 58.200 0.013 0.000 1.099 228 S CB 0.128 63.334 63.200 0.011 0.000 0.936 228 S HN 0.747 nan 8.310 nan 0.000 0.450 229 N N 1.568 120.272 118.700 0.007 0.000 2.438 229 N HA 0.413 5.154 4.740 0.001 0.000 0.282 229 N C 0.215 175.727 175.510 0.003 0.000 1.037 229 N CA -0.295 52.757 53.050 0.004 0.000 0.942 229 N CB 1.420 39.908 38.487 0.002 0.000 1.136 229 N HN 0.120 nan 8.380 nan 0.000 0.481 230 I N 1.866 122.436 120.570 0.001 0.000 2.676 230 I HA -0.042 4.129 4.170 0.001 0.000 0.259 230 I C 2.275 178.390 176.117 -0.004 0.000 1.194 230 I CA 0.742 62.041 61.300 -0.001 0.000 1.473 230 I CB -0.274 37.724 38.000 -0.004 0.000 1.096 230 I HN 0.583 nan 8.210 nan 0.000 0.443 231 R N 0.765 121.263 120.500 -0.005 0.000 2.196 231 R HA -0.320 4.021 4.340 0.001 0.000 0.244 231 R C 1.880 178.175 176.300 -0.007 0.000 1.121 231 R CA 2.649 58.746 56.100 -0.006 0.000 0.930 231 R CB -0.390 29.907 30.300 -0.005 0.000 0.890 231 R HN 0.334 nan 8.270 nan 0.000 0.435 232 E N -0.575 119.622 120.200 -0.005 0.000 2.347 232 E HA -0.086 4.265 4.350 0.001 0.000 0.196 232 E C 1.790 178.384 176.600 -0.009 0.000 1.008 232 E CA 0.930 57.327 56.400 -0.007 0.000 0.852 232 E CB 0.093 29.790 29.700 -0.004 0.000 0.783 232 E HN 0.361 nan 8.360 nan 0.000 0.505 233 M N -0.363 119.232 119.600 -0.008 0.000 2.388 233 M HA 0.052 4.533 4.480 0.001 0.000 0.265 233 M C 1.854 178.144 176.300 -0.017 0.000 1.088 233 M CA 0.760 56.054 55.300 -0.010 0.000 1.134 233 M CB -0.352 32.246 32.600 -0.003 0.000 1.384 233 M HN 0.188 nan 8.290 nan 0.000 0.447 234 L N 0.152 121.365 121.223 -0.017 0.000 2.051 234 L HA -0.224 4.117 4.340 0.001 0.000 0.214 234 L C -0.419 176.434 176.870 -0.027 0.000 1.076 234 L CA 1.655 56.483 54.840 -0.020 0.000 0.758 234 L CB -2.429 39.620 42.059 -0.017 0.000 0.890 234 L HN 0.183 nan 8.230 nan 0.000 0.433 235 P HA -0.130 nan 4.420 nan 0.000 0.215 235 P C 1.923 179.191 177.300 -0.053 0.000 1.153 235 P CA 1.165 64.243 63.100 -0.037 0.000 0.853 235 P CB 0.019 31.699 31.700 -0.033 0.000 0.788 236 V N -0.645 119.236 119.914 -0.056 0.000 2.358 236 V HA -0.202 3.919 4.120 0.001 0.000 0.246 236 V C 2.467 178.509 176.094 -0.087 0.000 1.047 236 V CA 1.449 63.700 62.300 -0.082 0.000 1.035 236 V CB -1.262 30.522 31.823 -0.064 0.000 0.658 236 V HN 0.066 nan 8.190 nan 0.000 0.452 237 L N -0.096 121.094 121.223 -0.053 0.000 2.017 237 L HA -0.197 4.143 4.340 0.001 0.000 0.208 237 L C 2.719 179.563 176.870 -0.043 0.000 1.073 237 L CA 1.984 56.800 54.840 -0.040 0.000 0.745 237 L CB -0.234 41.810 42.059 -0.024 0.000 0.894 237 L HN 0.383 nan 8.230 nan 0.000 0.432 238 E N -0.055 120.120 120.200 -0.042 0.000 2.110 238 E HA -0.201 4.150 4.350 0.001 0.000 0.193 238 E C 1.968 178.539 176.600 -0.048 0.000 0.988 238 E CA 1.425 57.803 56.400 -0.037 0.000 0.804 238 E CB -0.085 29.597 29.700 -0.031 0.000 0.745 238 E HN 0.465 nan 8.360 nan 0.000 0.458 239 A N -0.049 122.727 122.820 -0.073 0.000 1.902 239 A HA -0.125 4.196 4.320 0.001 0.000 0.217 239 A C 2.491 179.999 177.584 -0.128 0.000 1.181 239 A CA 1.540 53.517 52.037 -0.101 0.000 0.623 239 A CB -0.753 18.167 19.000 -0.133 0.000 0.818 239 A HN 0.205 nan 8.150 nan 0.000 0.443 240 V N -0.174 119.649 119.914 -0.152 0.000 2.343 240 V HA -0.246 3.875 4.120 0.001 0.000 0.247 240 V C 3.059 179.157 176.094 0.007 0.000 1.051 240 V CA 1.895 64.125 62.300 -0.117 0.000 1.036 240 V CB -1.107 30.665 31.823 -0.086 0.000 0.654 240 V HN 0.624 nan 8.190 nan 0.000 0.451 241 A N -0.278 122.539 122.820 -0.005 0.000 1.883 241 A HA -0.259 4.062 4.320 0.001 0.000 0.217 241 A C 2.234 179.828 177.584 0.017 0.000 1.186 241 A CA 2.021 54.064 52.037 0.010 0.000 0.624 241 A CB -0.450 18.547 19.000 -0.006 0.000 0.822 241 A HN 0.547 nan 8.150 nan 0.000 0.444 242 K N -0.411 119.991 120.400 0.004 0.000 2.362 242 K HA 0.090 4.411 4.320 0.001 0.000 0.200 242 K C 1.777 178.397 176.600 0.033 0.000 1.046 242 K CA 0.714 57.007 56.287 0.010 0.000 0.952 242 K CB -0.160 32.337 32.500 -0.006 0.000 0.753 242 K HN 0.452 nan 8.250 nan 0.000 0.466 243 A N 0.370 123.225 122.820 0.058 0.000 2.218 243 A HA 0.178 4.499 4.320 0.001 0.000 0.209 243 A C 1.527 179.201 177.584 0.149 0.000 1.168 243 A CA 0.755 52.874 52.037 0.138 0.000 0.804 243 A CB -0.286 18.861 19.000 0.245 0.000 0.834 243 A HN 0.366 nan 8.150 nan 0.000 0.482 244 G N -0.800 108.063 108.800 0.105 0.000 2.168 244 G HA2 -0.292 3.669 3.960 0.001 0.000 0.263 244 G HA3 -0.292 3.669 3.960 0.001 0.000 0.263 244 G C 0.206 175.163 174.900 0.094 0.000 0.977 244 G CA 0.991 46.139 45.100 0.080 0.000 0.659 244 G HN 0.611 nan 8.290 nan 0.000 0.533 245 K N 0.426 120.919 120.400 0.155 0.000 2.208 245 K HA 0.602 4.922 4.320 0.001 0.000 0.247 245 K C -2.393 174.318 176.600 0.184 0.000 0.953 245 K CA -2.231 54.146 56.287 0.150 0.000 0.837 245 K CB 1.916 34.497 32.500 0.136 0.000 1.131 245 K HN -0.029 nan 8.250 nan 0.000 0.431 246 P HA 0.118 nan 4.420 nan 0.000 0.274 246 P C -1.384 176.047 177.300 0.219 0.000 1.260 246 P CA -0.546 62.652 63.100 0.163 0.000 0.793 246 P CB 0.461 32.258 31.700 0.163 0.000 1.048 247 L N 0.766 122.106 121.223 0.195 0.000 2.431 247 L HA 0.587 4.928 4.340 0.001 0.000 0.266 247 L C -1.697 175.281 176.870 0.179 0.000 0.978 247 L CA -0.877 54.082 54.840 0.198 0.000 0.822 247 L CB 1.750 43.899 42.059 0.151 0.000 1.310 247 L HN 0.101 nan 8.230 nan 0.000 0.409 248 L N 5.467 126.791 121.223 0.168 0.000 2.296 248 L HA 0.628 4.969 4.340 0.001 0.000 0.286 248 L C -0.998 175.954 176.870 0.135 0.000 1.023 248 L CA -0.019 54.914 54.840 0.156 0.000 0.812 248 L CB 1.266 43.414 42.059 0.149 0.000 1.223 248 L HN 0.569 nan 8.230 nan 0.000 0.421 249 I N 6.650 127.295 120.570 0.125 0.000 2.297 249 I HA 0.264 4.435 4.170 0.001 0.000 0.291 249 I C 0.062 176.244 176.117 0.109 0.000 1.033 249 I CA 0.305 61.665 61.300 0.099 0.000 1.253 249 I CB 0.649 38.698 38.000 0.082 0.000 1.396 249 I HN 0.440 nan 8.210 nan 0.000 0.476 250 I N 6.776 127.403 120.570 0.094 0.000 2.234 250 I HA 0.404 4.574 4.170 0.001 0.000 0.287 250 I C 0.662 176.797 176.117 0.029 0.000 1.131 250 I CA -0.236 61.110 61.300 0.076 0.000 1.335 250 I CB -0.105 37.922 38.000 0.046 0.000 1.511 250 I HN 0.600 nan 8.210 nan 0.000 0.588 251 A N 2.638 125.483 122.820 0.041 0.000 2.279 251 A HA 0.252 4.573 4.320 0.001 0.000 0.303 251 A C 1.431 179.027 177.584 0.020 0.000 1.108 251 A CA -0.437 51.614 52.037 0.024 0.000 0.830 251 A CB 0.773 19.792 19.000 0.031 0.000 1.106 251 A HN 0.701 nan 8.150 nan 0.000 0.493 252 E N -0.070 120.135 120.200 0.009 0.000 2.136 252 E HA -0.232 4.119 4.350 0.001 0.000 0.202 252 E C -0.054 176.562 176.600 0.026 0.000 1.019 252 E CA 1.989 58.395 56.400 0.010 0.000 0.819 252 E CB 0.129 29.833 29.700 0.007 0.000 0.739 252 E HN 0.685 nan 8.360 nan 0.000 0.458 253 D N -2.069 118.350 120.400 0.031 0.000 2.653 253 D HA 0.302 4.943 4.640 0.001 0.000 0.258 253 D C -1.877 174.447 176.300 0.040 0.000 1.252 253 D CA -0.512 53.511 54.000 0.039 0.000 0.777 253 D CB 2.332 43.153 40.800 0.035 0.000 1.339 253 D HN -0.090 nan 8.370 nan 0.000 0.422 254 V N 1.910 121.852 119.914 0.046 0.000 2.655 254 V HA 0.434 4.555 4.120 0.001 0.000 0.301 254 V C 0.064 176.184 176.094 0.043 0.000 1.082 254 V CA -0.627 61.700 62.300 0.045 0.000 0.899 254 V CB 1.644 33.500 31.823 0.055 0.000 1.014 254 V HN 0.667 nan 8.190 nan 0.000 0.429 255 E N 3.533 123.753 120.200 0.034 0.000 2.490 255 E HA 0.881 5.232 4.350 0.001 0.000 0.176 255 E C 0.700 177.313 176.600 0.022 0.000 0.781 255 E CA -0.225 56.193 56.400 0.030 0.000 0.911 255 E CB 1.147 30.863 29.700 0.026 0.000 2.014 255 E HN 1.181 nan 8.360 nan 0.000 0.388 256 G N 1.110 109.920 108.800 0.016 0.000 2.536 256 G HA2 -0.409 3.552 3.960 0.001 0.000 0.280 256 G HA3 -0.409 3.552 3.960 0.001 0.000 0.280 256 G C 0.615 175.518 174.900 0.006 0.000 1.152 256 G CA 0.966 46.072 45.100 0.010 0.000 0.970 256 G HN 0.772 nan 8.290 nan 0.000 0.549 257 E N 0.554 120.756 120.200 0.004 0.000 2.447 257 E HA 0.647 4.998 4.350 0.001 0.000 0.204 257 E C 2.407 179.008 176.600 0.001 0.000 0.977 257 E CA 1.538 57.938 56.400 -0.001 0.000 0.950 257 E CB -0.351 29.346 29.700 -0.005 0.000 0.975 257 E HN 1.193 nan 8.360 nan 0.000 0.496 258 A N 1.499 124.324 122.820 0.008 0.000 1.883 258 A HA -0.121 4.200 4.320 0.001 0.000 0.217 258 A C 2.147 179.743 177.584 0.019 0.000 1.186 258 A CA 1.594 53.639 52.037 0.012 0.000 0.624 258 A CB -0.744 18.266 19.000 0.017 0.000 0.822 258 A HN 0.302 nan 8.150 nan 0.000 0.444 259 L N -0.258 120.981 121.223 0.026 0.000 2.017 259 L HA -0.068 4.272 4.340 0.001 0.000 0.208 259 L C 2.702 179.585 176.870 0.022 0.000 1.073 259 L CA 2.270 57.132 54.840 0.038 0.000 0.745 259 L CB -0.897 41.190 42.059 0.047 0.000 0.894 259 L HN 0.358 nan 8.230 nan 0.000 0.432 260 A N -1.072 121.750 122.820 0.003 0.000 1.877 260 A HA -0.243 4.077 4.320 0.001 0.000 0.216 260 A C 2.348 179.917 177.584 -0.025 0.000 1.186 260 A CA 2.679 54.704 52.037 -0.020 0.000 0.620 260 A CB -1.432 17.553 19.000 -0.026 0.000 0.822 260 A HN 0.626 nan 8.150 nan 0.000 0.443 261 T N -1.247 113.297 114.554 -0.017 0.000 2.777 261 T HA -0.067 4.284 4.350 0.001 0.000 0.266 261 T C 1.849 176.535 174.700 -0.024 0.000 1.040 261 T CA 1.388 63.475 62.100 -0.022 0.000 1.141 261 T CB -0.624 68.234 68.868 -0.016 0.000 0.868 261 T HN 0.278 nan 8.240 nan 0.000 0.444 262 L N 0.668 121.886 121.223 -0.009 0.000 2.012 262 L HA -0.077 4.263 4.340 0.001 0.000 0.210 262 L C 2.986 179.836 176.870 -0.033 0.000 1.073 262 L CA 1.028 55.863 54.840 -0.009 0.000 0.748 262 L CB -0.742 41.335 42.059 0.030 0.000 0.891 262 L HN 0.163 nan 8.230 nan 0.000 0.431 263 V N -0.774 119.133 119.914 -0.011 0.000 2.343 263 V HA -0.257 3.864 4.120 0.001 0.000 0.247 263 V C 2.409 178.469 176.094 -0.057 0.000 1.051 263 V CA 1.551 63.842 62.300 -0.015 0.000 1.036 263 V CB -0.203 31.625 31.823 0.008 0.000 0.654 263 V HN 0.189 nan 8.190 nan 0.000 0.451 264 V N 0.432 120.311 119.914 -0.059 0.000 2.261 264 V HA -0.264 3.857 4.120 0.001 0.000 0.246 264 V C 2.257 178.308 176.094 -0.072 0.000 1.047 264 V CA 2.233 64.495 62.300 -0.063 0.000 1.015 264 V CB -0.823 30.967 31.823 -0.054 0.000 0.642 264 V HN 0.599 nan 8.190 nan 0.000 0.446 265 N N -0.254 118.401 118.700 -0.076 0.000 2.289 265 N HA -0.135 4.606 4.740 0.001 0.000 0.184 265 N C 1.760 177.188 175.510 -0.136 0.000 1.016 265 N CA 1.900 54.899 53.050 -0.085 0.000 0.872 265 N CB -0.051 38.395 38.487 -0.069 0.000 0.973 265 N HN 0.533 nan 8.380 nan 0.000 0.433 266 T N 1.337 115.768 114.554 -0.206 0.000 2.755 266 T HA 0.007 4.358 4.350 0.001 0.000 0.251 266 T C 1.963 176.526 174.700 -0.229 0.000 1.044 266 T CA 0.332 62.218 62.100 -0.358 0.000 1.154 266 T CB -0.103 68.332 68.868 -0.723 0.000 0.866 266 T HN 0.128 nan 8.240 nan 0.000 0.416 267 M N 0.710 120.230 119.600 -0.133 0.000 2.106 267 M HA -0.128 4.353 4.480 0.001 0.000 0.259 267 M C 2.173 178.456 176.300 -0.029 0.000 1.068 267 M CA 1.635 56.916 55.300 -0.032 0.000 1.100 267 M CB -0.063 32.554 32.600 0.028 0.000 1.351 267 M HN -0.037 nan 8.290 nan 0.000 0.404 268 R N 0.248 120.721 120.500 -0.045 0.000 2.307 268 R HA 0.100 4.441 4.340 0.001 0.000 0.199 268 R C 0.633 176.911 176.300 -0.037 0.000 1.000 268 R CA 0.897 56.977 56.100 -0.033 0.000 1.023 268 R CB -0.563 29.716 30.300 -0.035 0.000 0.908 268 R HN 0.658 nan 8.270 nan 0.000 0.473 269 G N 0.363 109.130 108.800 -0.055 0.000 2.291 269 G HA2 -0.186 3.775 3.960 0.001 0.000 0.271 269 G HA3 -0.186 3.775 3.960 0.001 0.000 0.271 269 G C 0.363 175.236 174.900 -0.045 0.000 1.099 269 G CA 0.284 45.355 45.100 -0.050 0.000 0.919 269 G HN 0.189 nan 8.290 nan 0.000 0.496 270 I N -1.033 119.501 120.570 -0.059 0.000 2.681 270 I HA 0.252 4.423 4.170 0.001 0.000 0.247 270 I C 1.369 177.458 176.117 -0.047 0.000 1.091 270 I CA 1.655 62.927 61.300 -0.046 0.000 1.442 270 I CB -0.838 37.135 38.000 -0.045 0.000 1.219 270 I HN 0.709 nan 8.210 nan 0.000 0.451 271 V N -1.538 118.332 119.914 -0.074 0.000 2.924 271 V HA 0.422 4.542 4.120 0.001 0.000 0.300 271 V C -0.414 175.595 176.094 -0.142 0.000 1.227 271 V CA -1.320 60.941 62.300 -0.066 0.000 0.954 271 V CB 1.944 33.748 31.823 -0.031 0.000 1.055 271 V HN 0.087 nan 8.190 nan 0.000 0.429 272 K N 2.697 123.025 120.400 -0.119 0.000 2.351 272 K HA 0.496 4.817 4.320 0.001 0.000 0.287 272 K C -0.332 176.227 176.600 -0.067 0.000 1.068 272 K CA 0.127 56.291 56.287 -0.206 0.000 0.998 272 K CB 0.885 33.445 32.500 0.101 0.000 0.968 272 K HN 1.003 nan 8.250 nan 0.000 0.464 273 V N -0.437 119.369 119.914 -0.180 0.000 2.760 273 V HA 0.887 5.007 4.120 0.001 0.000 0.309 273 V C -0.837 175.389 176.094 0.219 0.000 1.077 273 V CA -1.001 61.343 62.300 0.072 0.000 0.910 273 V CB 1.805 33.640 31.823 0.020 0.000 1.008 273 V HN 0.678 nan 8.190 nan 0.000 0.424 274 A N 2.810 125.815 122.820 0.308 0.000 2.527 274 A HA 1.115 5.436 4.320 0.001 0.000 0.293 274 A C -0.299 177.403 177.584 0.198 0.000 1.117 274 A CA -0.405 51.825 52.037 0.320 0.000 0.723 274 A CB 1.949 21.145 19.000 0.326 0.000 1.313 274 A HN 2.599 nan 8.150 nan 0.000 0.411 275 A N -0.318 122.610 122.820 0.180 0.000 2.515 275 A HA 0.837 5.157 4.320 0.001 0.000 0.298 275 A C -0.733 176.940 177.584 0.148 0.000 1.059 275 A CA 0.001 52.126 52.037 0.145 0.000 0.698 275 A CB 1.392 20.462 19.000 0.118 0.000 1.289 275 A HN 2.368 nan 8.150 nan 0.000 0.404 276 V N -1.199 118.802 119.914 0.146 0.000 3.087 276 V HA 0.626 4.747 4.120 0.001 0.000 0.306 276 V C -0.787 175.394 176.094 0.144 0.000 1.187 276 V CA -1.279 61.113 62.300 0.152 0.000 0.999 276 V CB 1.727 33.663 31.823 0.189 0.000 1.049 276 V HN 0.848 nan 8.190 nan 0.000 0.431 277 K N 2.443 122.919 120.400 0.126 0.000 2.368 277 K HA 0.617 4.938 4.320 0.001 0.000 0.282 277 K C 0.364 177.019 176.600 0.090 0.000 1.035 277 K CA 0.316 56.659 56.287 0.093 0.000 0.973 277 K CB 1.379 33.924 32.500 0.075 0.000 0.957 277 K HN 1.122 nan 8.250 nan 0.000 0.474 278 A N 5.889 128.723 122.820 0.023 0.000 2.491 278 A HA 0.169 4.490 4.320 0.001 0.000 0.261 278 A C -1.891 175.657 177.584 -0.060 0.000 1.101 278 A CA -1.080 50.918 52.037 -0.064 0.000 0.772 278 A CB -0.461 18.492 19.000 -0.079 0.000 1.043 278 A HN 0.456 nan 8.150 nan 0.000 0.501 279 P HA 0.504 nan 4.420 nan 0.000 0.274 279 P C 0.366 177.609 177.300 -0.095 0.000 1.237 279 P CA 0.897 63.974 63.100 -0.039 0.000 0.793 279 P CB 1.073 32.776 31.700 0.006 0.000 0.977 280 G N 0.934 109.685 108.800 -0.082 0.000 2.570 280 G HA2 0.107 4.068 3.960 0.001 0.000 0.686 280 G HA3 0.107 4.068 3.960 0.001 0.000 0.686 280 G C -1.077 173.758 174.900 -0.107 0.000 1.257 280 G CA -0.774 44.191 45.100 -0.226 0.000 0.846 280 G HN 0.527 nan 8.290 nan 0.000 0.627 281 F N 0.327 120.282 119.950 0.008 0.000 2.450 281 F HA 0.830 5.358 4.527 0.002 0.000 0.332 281 F C 1.159 176.966 175.800 0.011 0.000 1.093 281 F CA -0.213 57.795 58.000 0.013 0.000 1.003 281 F CB 1.066 40.080 39.000 0.024 0.000 1.151 281 F HN 2.292 nan 8.300 nan 0.000 0.474 282 G N 2.211 111.124 108.800 0.189 0.000 2.578 282 G HA2 -0.317 3.644 3.960 0.001 0.000 0.284 282 G HA3 -0.317 3.644 3.960 0.001 0.000 0.284 282 G C 0.352 175.261 174.900 0.015 0.000 1.283 282 G CA 0.461 45.625 45.100 0.106 0.000 0.944 282 G HN 0.796 nan 8.290 nan 0.000 0.558 283 D N 0.312 120.716 120.400 0.007 0.000 2.392 283 D HA -0.036 4.605 4.640 0.001 0.000 0.228 283 D C 2.215 178.471 176.300 -0.074 0.000 1.003 283 D CA 0.670 54.654 54.000 -0.026 0.000 0.917 283 D CB -0.109 40.686 40.800 -0.009 0.000 0.890 283 D HN 0.479 nan 8.370 nan 0.000 0.532 284 R N 1.098 121.520 120.500 -0.130 0.000 2.139 284 R HA -0.155 4.186 4.340 0.001 0.000 0.243 284 R C 2.194 178.376 176.300 -0.196 0.000 1.145 284 R CA 0.956 56.922 56.100 -0.224 0.000 0.976 284 R CB 0.024 30.048 30.300 -0.460 0.000 0.866 284 R HN 0.075 nan 8.270 nan 0.000 0.449 285 R N 0.872 121.278 120.500 -0.156 0.000 2.080 285 R HA -0.181 4.159 4.340 0.001 0.000 0.236 285 R C 1.958 178.194 176.300 -0.107 0.000 1.137 285 R CA 2.176 58.202 56.100 -0.122 0.000 0.943 285 R CB -0.068 30.186 30.300 -0.076 0.000 0.846 285 R HN 0.163 nan 8.270 nan 0.000 0.431 286 K N -0.132 120.220 120.400 -0.080 0.000 2.044 286 K HA -0.172 4.149 4.320 0.001 0.000 0.210 286 K C 2.149 178.702 176.600 -0.077 0.000 1.049 286 K CA 1.668 57.914 56.287 -0.067 0.000 0.927 286 K CB -0.247 32.225 32.500 -0.047 0.000 0.713 286 K HN 0.282 nan 8.250 nan 0.000 0.443 287 A N 1.327 124.095 122.820 -0.087 0.000 1.858 287 A HA -0.164 4.157 4.320 0.001 0.000 0.216 287 A C 2.152 179.674 177.584 -0.103 0.000 1.190 287 A CA 1.697 53.681 52.037 -0.088 0.000 0.617 287 A CB -0.459 18.484 19.000 -0.095 0.000 0.827 287 A HN 0.193 nan 8.150 nan 0.000 0.443 288 M N -1.397 118.125 119.600 -0.131 0.000 2.349 288 M HA 0.003 4.484 4.480 0.001 0.000 0.266 288 M C 2.062 178.260 176.300 -0.169 0.000 1.076 288 M CA 0.767 55.978 55.300 -0.148 0.000 1.126 288 M CB -0.253 32.243 32.600 -0.173 0.000 1.392 288 M HN 0.408 nan 8.290 nan 0.000 0.440 289 L N 0.710 121.837 121.223 -0.160 0.000 2.141 289 L HA -0.162 4.179 4.340 0.001 0.000 0.209 289 L C 2.442 179.248 176.870 -0.107 0.000 1.094 289 L CA 1.829 56.576 54.840 -0.154 0.000 0.763 289 L CB -0.616 41.367 42.059 -0.127 0.000 0.908 289 L HN 0.233 nan 8.230 nan 0.000 0.437 290 Q N -0.440 119.309 119.800 -0.085 0.000 2.167 290 Q HA -0.185 4.156 4.340 0.001 0.000 0.202 290 Q C 1.706 177.670 176.000 -0.060 0.000 0.970 290 Q CA 1.840 57.606 55.803 -0.062 0.000 0.855 290 Q CB -0.219 28.488 28.738 -0.052 0.000 0.911 290 Q HN 0.525 nan 8.270 nan 0.000 0.438 291 D N -0.113 120.243 120.400 -0.074 0.000 2.097 291 D HA -0.133 4.507 4.640 0.001 0.000 0.195 291 D C 1.865 178.129 176.300 -0.060 0.000 0.989 291 D CA 1.302 55.264 54.000 -0.063 0.000 0.827 291 D CB -0.180 40.578 40.800 -0.070 0.000 0.966 291 D HN 0.373 nan 8.370 nan 0.000 0.456 292 I N 1.393 121.908 120.570 -0.091 0.000 2.208 292 I HA -0.270 3.901 4.170 0.001 0.000 0.245 292 I C 2.523 178.615 176.117 -0.041 0.000 1.097 292 I CA 1.061 62.313 61.300 -0.080 0.000 1.363 292 I CB -0.240 37.659 38.000 -0.168 0.000 1.051 292 I HN -0.078 nan 8.210 nan 0.000 0.413 293 A N 0.341 123.135 122.820 -0.044 0.000 1.902 293 A HA -0.209 4.112 4.320 0.001 0.000 0.217 293 A C 2.385 179.962 177.584 -0.011 0.000 1.181 293 A CA 2.483 54.508 52.037 -0.021 0.000 0.623 293 A CB -1.080 17.904 19.000 -0.025 0.000 0.818 293 A HN 0.398 nan 8.150 nan 0.000 0.443 294 T N -0.125 114.419 114.554 -0.017 0.000 2.821 294 T HA -0.095 4.256 4.350 0.001 0.000 0.267 294 T C 1.811 176.508 174.700 -0.005 0.000 1.046 294 T CA 1.438 63.532 62.100 -0.011 0.000 1.139 294 T CB -0.279 68.580 68.868 -0.015 0.000 0.871 294 T HN 0.320 nan 8.240 nan 0.000 0.454 295 L N 1.824 123.045 121.223 -0.004 0.000 2.072 295 L HA -0.018 4.323 4.340 0.001 0.000 0.205 295 L C 2.624 179.500 176.870 0.009 0.000 1.079 295 L CA 2.031 56.874 54.840 0.004 0.000 0.752 295 L CB -1.128 40.937 42.059 0.009 0.000 0.906 295 L HN 0.373 nan 8.230 nan 0.000 0.436 296 T N -3.774 110.788 114.554 0.013 0.000 3.023 296 T HA 0.196 4.547 4.350 0.001 0.000 0.266 296 T C 1.557 176.270 174.700 0.022 0.000 1.093 296 T CA 0.537 62.650 62.100 0.021 0.000 1.129 296 T CB -0.457 68.431 68.868 0.034 0.000 0.899 296 T HN 0.670 nan 8.240 nan 0.000 0.491 297 G N 0.600 109.410 108.800 0.017 0.000 2.143 297 G HA2 -0.029 3.932 3.960 0.001 0.000 0.249 297 G HA3 -0.029 3.932 3.960 0.001 0.000 0.249 297 G C 0.340 175.258 174.900 0.029 0.000 0.981 297 G CA -0.086 45.026 45.100 0.020 0.000 0.665 297 G HN 1.047 nan 8.290 nan 0.000 0.528 298 G N -1.222 107.597 108.800 0.032 0.000 2.521 298 G HA2 0.674 4.635 3.960 0.001 0.000 0.323 298 G HA3 0.674 4.635 3.960 0.001 0.000 0.323 298 G C -0.086 174.827 174.900 0.022 0.000 1.211 298 G CA 0.326 45.450 45.100 0.040 0.000 0.979 298 G HN 0.532 nan 8.290 nan 0.000 0.490 299 T N 0.006 114.574 114.554 0.022 0.000 2.882 299 T HA 0.424 4.775 4.350 0.001 0.000 0.287 299 T C 0.052 174.754 174.700 0.003 0.000 0.992 299 T CA -0.213 61.893 62.100 0.009 0.000 1.076 299 T CB 1.634 70.507 68.868 0.009 0.000 0.961 299 T HN 0.265 nan 8.240 nan 0.000 0.490 300 V N 4.077 123.987 119.914 -0.006 0.000 2.407 300 V HA 0.338 4.458 4.120 0.001 0.000 0.278 300 V C -0.148 175.940 176.094 -0.010 0.000 1.037 300 V CA -0.792 61.501 62.300 -0.012 0.000 0.900 300 V CB 0.912 32.721 31.823 -0.023 0.000 0.983 300 V HN 0.688 nan 8.190 nan 0.000 0.459 301 I N 4.270 124.835 120.570 -0.008 0.000 2.312 301 I HA 0.292 4.463 4.170 0.001 0.000 0.291 301 I C 0.531 176.643 176.117 -0.008 0.000 1.031 301 I CA 0.671 61.967 61.300 -0.006 0.000 1.293 301 I CB 1.497 39.495 38.000 -0.004 0.000 1.403 301 I HN 0.580 nan 8.210 nan 0.000 0.484 302 S N 5.207 120.902 115.700 -0.008 0.000 2.594 302 S HA 0.219 4.690 4.470 0.001 0.000 0.322 302 S C 1.074 175.671 174.600 -0.005 0.000 1.085 302 S CA -0.617 57.578 58.200 -0.008 0.000 1.116 302 S CB 0.410 63.604 63.200 -0.010 0.000 0.979 302 S HN 0.750 nan 8.310 nan 0.000 0.465 303 E N 3.312 123.510 120.200 -0.003 0.000 2.267 303 E HA -0.170 4.181 4.350 0.001 0.000 0.197 303 E C 1.038 177.637 176.600 -0.001 0.000 0.998 303 E CA 1.273 57.672 56.400 -0.002 0.000 0.830 303 E CB 0.090 29.790 29.700 -0.000 0.000 0.751 303 E HN 0.832 nan 8.360 nan 0.000 0.491 304 E N 0.144 120.342 120.200 -0.002 0.000 2.338 304 E HA -0.125 4.226 4.350 0.001 0.000 0.197 304 E C 1.600 178.199 176.600 -0.002 0.000 1.007 304 E CA 0.999 57.398 56.400 -0.001 0.000 0.849 304 E CB -0.091 29.608 29.700 -0.001 0.000 0.774 304 E HN 0.563 nan 8.360 nan 0.000 0.506 305 I N -4.470 116.098 120.570 -0.003 0.000 3.833 305 I HA 0.477 4.648 4.170 0.001 0.000 0.328 305 I C 0.799 176.915 176.117 -0.003 0.000 1.554 305 I CA -0.145 61.153 61.300 -0.003 0.000 1.116 305 I CB 0.630 38.627 38.000 -0.004 0.000 1.182 305 I HN 0.011 nan 8.210 nan 0.000 0.459 306 G N 1.955 110.754 108.800 -0.003 0.000 2.136 306 G HA2 -0.259 3.702 3.960 0.001 0.000 0.242 306 G HA3 -0.259 3.702 3.960 0.001 0.000 0.242 306 G C 0.111 175.009 174.900 -0.003 0.000 0.989 306 G CA -0.019 45.079 45.100 -0.003 0.000 0.682 306 G HN 0.453 nan 8.290 nan 0.000 0.522 307 M N 1.495 121.093 119.600 -0.004 0.000 2.251 307 M HA 0.212 4.693 4.480 0.001 0.000 0.346 307 M C 0.610 176.907 176.300 -0.004 0.000 1.499 307 M CA 0.505 55.802 55.300 -0.004 0.000 1.128 307 M CB 0.250 32.846 32.600 -0.005 0.000 1.809 307 M HN 0.224 nan 8.290 nan 0.000 0.464 308 E N 2.248 122.445 120.200 -0.005 0.000 2.360 308 E HA 0.005 4.355 4.350 0.001 0.000 0.269 308 E C 0.399 176.995 176.600 -0.007 0.000 1.022 308 E CA -0.295 56.101 56.400 -0.006 0.000 0.887 308 E CB 1.350 31.046 29.700 -0.006 0.000 0.990 308 E HN 0.551 nan 8.360 nan 0.000 0.426 309 L N 3.320 124.539 121.223 -0.007 0.000 2.253 309 L HA 0.005 4.346 4.340 0.001 0.000 0.205 309 L C 1.369 178.232 176.870 -0.013 0.000 1.078 309 L CA 1.483 56.318 54.840 -0.009 0.000 0.805 309 L CB 0.087 42.142 42.059 -0.006 0.000 0.963 309 L HN 0.415 nan 8.230 nan 0.000 0.459 310 E N 0.366 120.558 120.200 -0.013 0.000 2.478 310 E HA -0.160 4.191 4.350 0.001 0.000 0.198 310 E C 1.279 177.867 176.600 -0.020 0.000 1.046 310 E CA 0.934 57.324 56.400 -0.016 0.000 0.870 310 E CB -0.193 29.499 29.700 -0.013 0.000 0.818 310 E HN 0.621 nan 8.360 nan 0.000 0.527 311 K N -0.079 120.310 120.400 -0.019 0.000 2.372 311 K HA 0.427 4.747 4.320 0.001 0.000 0.200 311 K C 0.411 176.996 176.600 -0.026 0.000 1.022 311 K CA -0.118 56.157 56.287 -0.021 0.000 1.125 311 K CB 0.670 33.160 32.500 -0.016 0.000 0.855 311 K HN -0.005 nan 8.250 nan 0.000 0.524 312 A N 1.677 124.480 122.820 -0.029 0.000 2.462 312 A HA 0.309 4.630 4.320 0.001 0.000 0.243 312 A C 0.346 177.895 177.584 -0.058 0.000 1.076 312 A CA 0.231 52.247 52.037 -0.035 0.000 0.773 312 A CB 0.134 19.116 19.000 -0.031 0.000 1.010 312 A HN 0.539 nan 8.150 nan 0.000 0.493 313 T N -0.837 113.677 114.554 -0.066 0.000 2.831 313 T HA 0.514 4.864 4.350 0.001 0.000 0.287 313 T C 0.762 175.377 174.700 -0.142 0.000 1.070 313 T CA -0.679 61.363 62.100 -0.096 0.000 1.010 313 T CB 0.448 69.281 68.868 -0.059 0.000 1.264 313 T HN 0.377 nan 8.240 nan 0.000 0.532 314 L N 0.395 121.500 121.223 -0.196 0.000 2.549 314 L HA 0.043 4.383 4.340 0.001 0.000 0.230 314 L C 2.274 179.166 176.870 0.037 0.000 1.162 314 L CA 1.633 56.338 54.840 -0.224 0.000 0.834 314 L CB -0.738 41.210 42.059 -0.184 0.000 0.947 314 L HN 0.878 nan 8.230 nan 0.000 0.452 315 E N -1.343 118.869 120.200 0.020 0.000 2.473 315 E HA -0.058 4.292 4.350 0.001 0.000 0.204 315 E C 1.206 177.831 176.600 0.042 0.000 0.994 315 E CA 0.180 56.610 56.400 0.051 0.000 0.945 315 E CB 0.127 29.846 29.700 0.032 0.000 0.990 315 E HN 0.293 nan 8.360 nan 0.000 0.493 316 D N 0.511 120.924 120.400 0.021 0.000 2.301 316 D HA 0.083 4.724 4.640 0.001 0.000 0.206 316 D C 0.417 176.742 176.300 0.042 0.000 0.979 316 D CA 0.156 54.168 54.000 0.020 0.000 0.874 316 D CB 0.588 41.387 40.800 -0.002 0.000 0.968 316 D HN 0.237 nan 8.370 nan 0.000 0.510 317 L N 1.366 122.627 121.223 0.064 0.000 2.426 317 L HA 0.253 4.593 4.340 0.001 0.000 0.271 317 L C 1.304 178.287 176.870 0.188 0.000 1.169 317 L CA -0.434 54.483 54.840 0.128 0.000 0.836 317 L CB 0.992 43.139 42.059 0.146 0.000 1.112 317 L HN -0.107 nan 8.230 nan 0.000 0.465 318 G N 1.894 110.785 108.800 0.151 0.000 2.599 318 G HA2 0.480 4.441 3.960 0.001 0.000 0.264 318 G HA3 0.480 4.441 3.960 0.001 0.000 0.264 318 G C -0.785 174.186 174.900 0.118 0.000 1.200 318 G CA -0.290 44.877 45.100 0.112 0.000 0.896 318 G HN 0.632 nan 8.290 nan 0.000 0.536 319 Q N -1.527 118.292 119.800 0.032 0.000 2.511 319 Q HA 0.640 4.981 4.340 0.001 0.000 0.289 319 Q C -0.887 175.088 176.000 -0.042 0.000 1.021 319 Q CA -0.874 54.893 55.803 -0.059 0.000 0.785 319 Q CB 2.599 31.231 28.738 -0.177 0.000 1.472 319 Q HN 0.887 nan 8.270 nan 0.000 0.411 320 A N 0.340 123.121 122.820 -0.064 0.000 2.609 320 A HA 0.404 4.724 4.320 0.001 0.000 0.291 320 A C -0.384 177.166 177.584 -0.057 0.000 1.096 320 A CA -0.562 51.451 52.037 -0.040 0.000 0.684 320 A CB 1.634 20.629 19.000 -0.007 0.000 1.282 320 A HN 0.720 nan 8.150 nan 0.000 0.412 321 K N -0.525 119.851 120.400 -0.040 0.000 2.097 321 K HA 0.019 4.340 4.320 0.001 0.000 0.205 321 K C 0.673 177.253 176.600 -0.033 0.000 1.050 321 K CA 1.305 57.568 56.287 -0.040 0.000 0.938 321 K CB 0.065 32.547 32.500 -0.029 0.000 0.718 321 K HN 0.562 nan 8.250 nan 0.000 0.442 322 R N -0.420 120.066 120.500 -0.023 0.000 2.643 322 R HA 0.324 4.665 4.340 0.001 0.000 0.269 322 R C -1.970 174.323 176.300 -0.012 0.000 1.037 322 R CA -0.683 55.406 56.100 -0.018 0.000 0.894 322 R CB 2.269 32.558 30.300 -0.019 0.000 1.238 322 R HN -0.112 nan 8.270 nan 0.000 0.459 323 V N 3.183 123.090 119.914 -0.011 0.000 2.709 323 V HA 0.586 4.707 4.120 0.001 0.000 0.308 323 V C -0.820 175.248 176.094 -0.043 0.000 1.062 323 V CA -0.741 61.550 62.300 -0.015 0.000 0.901 323 V CB 2.092 33.923 31.823 0.013 0.000 1.003 323 V HN 0.473 nan 8.190 nan 0.000 0.425 324 V N 5.536 125.411 119.914 -0.065 0.000 2.709 324 V HA 0.620 4.740 4.120 0.001 0.000 0.308 324 V C -0.643 175.389 176.094 -0.104 0.000 1.062 324 V CA -0.432 61.818 62.300 -0.083 0.000 0.901 324 V CB 2.098 33.880 31.823 -0.068 0.000 1.003 324 V HN 0.723 nan 8.190 nan 0.000 0.425 325 I N 4.846 125.358 120.570 -0.096 0.000 2.533 325 I HA 0.517 4.688 4.170 0.001 0.000 0.290 325 I C -0.494 175.638 176.117 0.025 0.000 1.056 325 I CA -0.530 60.728 61.300 -0.069 0.000 1.057 325 I CB 2.304 40.280 38.000 -0.040 0.000 1.240 325 I HN 0.805 nan 8.210 nan 0.000 0.423 326 N N 5.245 123.936 118.700 -0.015 0.000 2.989 326 N HA 0.287 5.028 4.740 0.001 0.000 0.338 326 N C 0.458 175.784 175.510 -0.306 0.000 1.369 326 N CA -0.731 52.332 53.050 0.021 0.000 0.794 326 N CB 0.942 39.410 38.487 -0.032 0.000 1.359 326 N HN 0.516 nan 8.380 nan 0.000 0.609 327 K N -0.877 119.293 120.400 -0.384 0.000 2.280 327 K HA -0.112 4.208 4.320 0.001 0.000 0.202 327 K C -0.314 175.989 176.600 -0.495 0.000 1.047 327 K CA 1.907 57.767 56.287 -0.711 0.000 0.942 327 K CB -0.024 32.308 32.500 -0.279 0.000 0.739 327 K HN 0.564 nan 8.250 nan 0.000 0.457 328 D N -1.475 118.744 120.400 -0.300 0.000 2.490 328 D HA 0.002 4.642 4.640 0.001 0.000 0.246 328 D C -0.590 175.608 176.300 -0.170 0.000 1.196 328 D CA 0.067 53.950 54.000 -0.196 0.000 0.812 328 D CB 1.403 42.126 40.800 -0.127 0.000 1.191 328 D HN 0.176 nan 8.370 nan 0.000 0.531 329 T N -2.282 112.151 114.554 -0.203 0.000 2.900 329 T HA 0.672 5.022 4.350 0.001 0.000 0.303 329 T C -0.668 173.836 174.700 -0.327 0.000 1.142 329 T CA -0.614 61.342 62.100 -0.241 0.000 1.007 329 T CB 2.254 71.016 68.868 -0.175 0.000 1.156 329 T HN -0.251 nan 8.240 nan 0.000 0.490 330 T N 2.249 116.465 114.554 -0.564 0.000 2.812 330 T HA 0.635 4.986 4.350 0.001 0.000 0.282 330 T C -0.699 173.686 174.700 -0.525 0.000 0.990 330 T CA -0.518 61.200 62.100 -0.637 0.000 0.960 330 T CB 1.541 69.745 68.868 -1.108 0.000 0.948 330 T HN 0.813 nan 8.240 nan 0.000 0.438 331 T N 4.085 118.485 114.554 -0.257 0.000 2.786 331 T HA 0.546 4.897 4.350 0.001 0.000 0.283 331 T C 0.032 174.695 174.700 -0.060 0.000 0.992 331 T CA -0.500 61.524 62.100 -0.128 0.000 0.954 331 T CB 0.499 69.313 68.868 -0.089 0.000 0.934 331 T HN 0.428 nan 8.240 nan 0.000 0.440 332 I N 4.161 124.734 120.570 0.004 0.000 2.336 332 I HA 0.462 4.633 4.170 0.001 0.000 0.292 332 I C -0.289 175.838 176.117 0.018 0.000 0.991 332 I CA -0.725 60.596 61.300 0.035 0.000 1.227 332 I CB 1.131 39.188 38.000 0.095 0.000 1.366 332 I HN 0.451 nan 8.210 nan 0.000 0.466 333 I N 5.559 126.131 120.570 0.004 0.000 2.418 333 I HA 0.222 4.393 4.170 0.001 0.000 0.287 333 I C -0.427 175.687 176.117 -0.005 0.000 1.008 333 I CA -0.384 60.914 61.300 -0.003 0.000 1.104 333 I CB 1.459 39.452 38.000 -0.012 0.000 1.264 333 I HN 0.638 nan 8.210 nan 0.000 0.438 334 D N 4.978 125.375 120.400 -0.004 0.000 2.760 334 D HA -0.121 4.520 4.640 0.001 0.000 0.244 334 D C 0.436 176.731 176.300 -0.009 0.000 1.123 334 D CA 0.948 54.943 54.000 -0.008 0.000 0.719 334 D CB -0.457 40.335 40.800 -0.013 0.000 1.045 334 D HN 0.830 nan 8.370 nan 0.000 0.426 335 G N -0.159 108.641 108.800 -0.001 0.000 2.484 335 G HA2 0.251 4.212 3.960 0.001 0.000 0.235 335 G HA3 0.251 4.212 3.960 0.001 0.000 0.235 335 G C 1.341 176.237 174.900 -0.006 0.000 1.282 335 G CA -0.080 45.020 45.100 0.000 0.000 0.857 335 G HN 0.432 nan 8.290 nan 0.000 0.571 336 V N 2.516 122.424 119.914 -0.009 0.000 3.623 336 V HA 0.119 4.239 4.120 0.001 0.000 0.271 336 V C 2.017 178.110 176.094 -0.002 0.000 1.248 336 V CA 0.767 63.060 62.300 -0.012 0.000 1.156 336 V CB -0.699 31.109 31.823 -0.025 0.000 0.870 336 V HN 0.845 nan 8.190 nan 0.000 0.453 337 G N 0.440 109.242 108.800 0.003 0.000 2.614 337 G HA2 0.201 4.162 3.960 0.001 0.000 0.239 337 G HA3 0.201 4.162 3.960 0.001 0.000 0.239 337 G C -0.343 174.557 174.900 0.001 0.000 1.240 337 G CA -0.351 44.751 45.100 0.004 0.000 0.842 337 G HN 0.476 nan 8.290 nan 0.000 0.584 338 E N 0.355 120.556 120.200 0.002 0.000 2.292 338 E HA 0.117 4.468 4.350 0.001 0.000 0.265 338 E C 1.091 177.690 176.600 -0.001 0.000 1.093 338 E CA 0.010 56.411 56.400 0.000 0.000 0.922 338 E CB 1.395 31.096 29.700 0.001 0.000 1.001 338 E HN 0.694 nan 8.360 nan 0.000 0.444 339 E N 4.013 124.212 120.200 -0.002 0.000 2.086 339 E HA -0.343 4.008 4.350 0.001 0.000 0.205 339 E C 1.682 178.281 176.600 -0.003 0.000 1.027 339 E CA 2.231 58.629 56.400 -0.002 0.000 0.830 339 E CB -0.107 29.592 29.700 -0.003 0.000 0.751 339 E HN 0.621 nan 8.360 nan 0.000 0.456 340 A N 0.032 122.851 122.820 -0.002 0.000 2.015 340 A HA 0.069 4.390 4.320 0.001 0.000 0.219 340 A C 2.317 179.899 177.584 -0.003 0.000 1.163 340 A CA 1.763 53.799 52.037 -0.002 0.000 0.646 340 A CB -0.661 18.338 19.000 -0.002 0.000 0.806 340 A HN 0.413 nan 8.150 nan 0.000 0.448 341 A N -0.150 122.668 122.820 -0.003 0.000 1.930 341 A HA 0.102 4.423 4.320 0.001 0.000 0.215 341 A C 2.030 179.611 177.584 -0.005 0.000 1.176 341 A CA 1.097 53.131 52.037 -0.004 0.000 0.632 341 A CB -0.456 18.542 19.000 -0.003 0.000 0.819 341 A HN 0.450 nan 8.150 nan 0.000 0.445 342 I N -0.301 120.266 120.570 -0.005 0.000 2.142 342 I HA -0.321 3.850 4.170 0.001 0.000 0.240 342 I C 2.746 178.859 176.117 -0.007 0.000 1.078 342 I CA 1.587 62.884 61.300 -0.006 0.000 1.343 342 I CB -0.428 37.570 38.000 -0.004 0.000 1.046 342 I HN 0.394 nan 8.210 nan 0.000 0.405 343 Q N 0.432 120.229 119.800 -0.005 0.000 2.167 343 Q HA -0.117 4.224 4.340 0.001 0.000 0.202 343 Q C 2.366 178.363 176.000 -0.006 0.000 0.970 343 Q CA 1.397 57.197 55.803 -0.005 0.000 0.855 343 Q CB -0.376 28.359 28.738 -0.004 0.000 0.911 343 Q HN 0.665 nan 8.270 nan 0.000 0.438 344 G N 1.102 109.899 108.800 -0.006 0.000 2.422 344 G HA2 -0.260 3.701 3.960 0.001 0.000 0.218 344 G HA3 -0.260 3.701 3.960 0.001 0.000 0.218 344 G C 1.554 176.449 174.900 -0.008 0.000 1.146 344 G CA 0.261 45.358 45.100 -0.006 0.000 0.769 344 G HN 0.074 nan 8.290 nan 0.000 0.547 345 R N 0.391 120.886 120.500 -0.010 0.000 2.075 345 R HA -0.003 4.338 4.340 0.001 0.000 0.232 345 R C 2.727 179.018 176.300 -0.014 0.000 1.126 345 R CA 1.084 57.176 56.100 -0.013 0.000 0.963 345 R CB -0.965 29.326 30.300 -0.015 0.000 0.858 345 R HN 0.288 nan 8.270 nan 0.000 0.435 346 V N 1.205 121.112 119.914 -0.012 0.000 2.332 346 V HA -0.256 3.865 4.120 0.001 0.000 0.248 346 V C 2.560 178.648 176.094 -0.010 0.000 1.055 346 V CA 1.958 64.251 62.300 -0.012 0.000 1.038 346 V CB -0.890 30.927 31.823 -0.009 0.000 0.651 346 V HN 0.417 nan 8.190 nan 0.000 0.450 347 A N -1.069 121.746 122.820 -0.009 0.000 1.902 347 A HA -0.298 4.023 4.320 0.001 0.000 0.217 347 A C 2.255 179.834 177.584 -0.008 0.000 1.181 347 A CA 2.019 54.052 52.037 -0.007 0.000 0.623 347 A CB -0.555 18.442 19.000 -0.005 0.000 0.818 347 A HN 0.588 nan 8.150 nan 0.000 0.443 348 Q N -0.424 119.370 119.800 -0.009 0.000 2.124 348 Q HA -0.153 4.187 4.340 0.001 0.000 0.202 348 Q C 1.932 177.925 176.000 -0.013 0.000 0.977 348 Q CA 1.665 57.462 55.803 -0.011 0.000 0.850 348 Q CB -0.237 28.494 28.738 -0.012 0.000 0.901 348 Q HN 0.742 nan 8.270 nan 0.000 0.429 349 I N -0.077 120.483 120.570 -0.016 0.000 2.315 349 I HA -0.260 3.910 4.170 0.001 0.000 0.248 349 I C 2.637 178.745 176.117 -0.015 0.000 1.117 349 I CA 0.901 62.190 61.300 -0.019 0.000 1.404 349 I CB -0.266 37.720 38.000 -0.023 0.000 1.071 349 I HN 0.164 nan 8.210 nan 0.000 0.419 350 R N 0.591 121.084 120.500 -0.011 0.000 2.092 350 R HA -0.203 4.138 4.340 0.001 0.000 0.231 350 R C 2.416 178.713 176.300 -0.005 0.000 1.119 350 R CA 1.241 57.337 56.100 -0.007 0.000 0.970 350 R CB -0.199 30.098 30.300 -0.005 0.000 0.864 350 R HN 0.378 nan 8.270 nan 0.000 0.440 351 Q N 0.870 120.667 119.800 -0.006 0.000 2.084 351 Q HA -0.237 4.104 4.340 0.001 0.000 0.202 351 Q C 1.611 177.608 176.000 -0.004 0.000 0.978 351 Q CA 1.803 57.604 55.803 -0.004 0.000 0.844 351 Q CB -0.008 28.728 28.738 -0.004 0.000 0.898 351 Q HN 0.498 nan 8.270 nan 0.000 0.426 352 Q N -0.044 119.751 119.800 -0.008 0.000 2.119 352 Q HA -0.025 4.315 4.340 0.001 0.000 0.201 352 Q C 2.261 178.257 176.000 -0.007 0.000 0.972 352 Q CA 1.219 57.017 55.803 -0.009 0.000 0.847 352 Q CB 0.005 28.734 28.738 -0.016 0.000 0.903 352 Q HN 0.419 nan 8.270 nan 0.000 0.433 353 I N 0.890 121.455 120.570 -0.008 0.000 2.361 353 I HA -0.219 3.951 4.170 0.001 0.000 0.251 353 I C 1.933 178.052 176.117 0.003 0.000 1.133 353 I CA 0.813 62.111 61.300 -0.004 0.000 1.413 353 I CB -0.100 37.898 38.000 -0.005 0.000 1.073 353 I HN 0.150 nan 8.210 nan 0.000 0.424 354 E N 1.199 121.400 120.200 0.003 0.000 2.472 354 E HA -0.178 4.173 4.350 0.001 0.000 0.200 354 E C 0.957 177.561 176.600 0.008 0.000 1.046 354 E CA 0.756 57.159 56.400 0.006 0.000 0.871 354 E CB -0.058 29.644 29.700 0.004 0.000 0.806 354 E HN 0.717 nan 8.360 nan 0.000 0.533 355 E N -1.168 119.035 120.200 0.006 0.000 2.876 355 E HA 0.350 4.701 4.350 0.001 0.000 0.208 355 E C -0.122 176.484 176.600 0.011 0.000 0.981 355 E CA -0.275 56.131 56.400 0.009 0.000 1.174 355 E CB 0.482 30.186 29.700 0.007 0.000 1.047 355 E HN -0.040 nan 8.360 nan 0.000 0.477 356 A N 1.547 124.373 122.820 0.010 0.000 2.491 356 A HA 0.181 4.502 4.320 0.001 0.000 0.261 356 A C 1.367 178.966 177.584 0.024 0.000 1.101 356 A CA 0.315 52.360 52.037 0.013 0.000 0.772 356 A CB 0.216 19.221 19.000 0.008 0.000 1.043 356 A HN 0.373 nan 8.150 nan 0.000 0.501 357 T N 0.530 115.103 114.554 0.031 0.000 2.857 357 T HA 0.100 4.451 4.350 0.001 0.000 0.266 357 T C 0.972 175.700 174.700 0.046 0.000 1.048 357 T CA 1.075 63.198 62.100 0.037 0.000 1.139 357 T CB -0.436 68.456 68.868 0.040 0.000 0.874 357 T HN 1.272 nan 8.240 nan 0.000 0.455 358 S N -0.180 115.557 115.700 0.062 0.000 2.720 358 S HA 0.375 4.846 4.470 0.001 0.000 0.287 358 S C 0.027 174.679 174.600 0.087 0.000 1.168 358 S CA -0.790 57.456 58.200 0.076 0.000 0.832 358 S CB 1.548 64.808 63.200 0.101 0.000 1.166 358 S HN 0.035 nan 8.310 nan 0.000 0.493 359 D N 0.148 120.605 120.400 0.095 0.000 2.116 359 D HA -0.163 4.478 4.640 0.001 0.000 0.193 359 D C 1.434 177.821 176.300 0.145 0.000 0.998 359 D CA 1.845 55.907 54.000 0.105 0.000 0.836 359 D CB -0.300 40.558 40.800 0.096 0.000 0.951 359 D HN 0.646 nan 8.370 nan 0.000 0.449 360 Y N 2.223 122.541 120.300 0.030 0.000 2.333 360 Y HA -0.160 4.391 4.550 0.002 0.000 0.290 360 Y C 1.730 177.652 175.900 0.036 0.000 1.144 360 Y CA 1.253 59.375 58.100 0.038 0.000 1.228 360 Y CB -0.029 38.453 38.460 0.037 0.000 0.985 360 Y HN -0.104 nan 8.280 nan 0.000 0.542 361 D N -0.358 120.059 120.400 0.029 0.000 2.120 361 D HA -0.109 4.532 4.640 0.001 0.000 0.202 361 D C 2.145 178.413 176.300 -0.053 0.000 0.972 361 D CA 1.080 55.048 54.000 -0.052 0.000 0.837 361 D CB -0.208 40.599 40.800 0.012 0.000 0.989 361 D HN 0.387 nan 8.370 nan 0.000 0.469 362 R N 1.001 121.499 120.500 -0.004 0.000 2.120 362 R HA -0.091 4.249 4.340 0.001 0.000 0.234 362 R C 2.203 178.495 176.300 -0.013 0.000 1.123 362 R CA 0.858 56.959 56.100 0.001 0.000 0.975 362 R CB -0.051 30.267 30.300 0.031 0.000 0.866 362 R HN 0.339 nan 8.270 nan 0.000 0.446 363 E N 1.181 121.371 120.200 -0.017 0.000 2.000 363 E HA -0.229 4.121 4.350 0.001 0.000 0.199 363 E C 1.664 178.213 176.600 -0.085 0.000 1.011 363 E CA 1.681 58.062 56.400 -0.032 0.000 0.836 363 E CB -0.113 29.582 29.700 -0.008 0.000 0.778 363 E HN 0.352 nan 8.360 nan 0.000 0.462 364 K N 0.858 121.153 120.400 -0.175 0.000 2.574 364 K HA -0.049 4.271 4.320 0.001 0.000 0.193 364 K C 1.579 178.098 176.600 -0.135 0.000 1.035 364 K CA 0.628 56.800 56.287 -0.191 0.000 0.982 364 K CB 0.245 32.549 32.500 -0.327 0.000 0.795 364 K HN 0.104 nan 8.250 nan 0.000 0.491 365 L N 1.414 122.579 121.223 -0.097 0.000 2.362 365 L HA -0.035 4.306 4.340 0.001 0.000 0.204 365 L C 2.740 179.581 176.870 -0.048 0.000 1.060 365 L CA 1.233 56.033 54.840 -0.067 0.000 0.827 365 L CB -0.770 41.258 42.059 -0.051 0.000 1.027 365 L HN 0.435 nan 8.230 nan 0.000 0.474 366 Q N 0.287 120.064 119.800 -0.038 0.000 2.119 366 Q HA -0.196 4.145 4.340 0.001 0.000 0.201 366 Q C 1.476 177.461 176.000 -0.026 0.000 0.972 366 Q CA 1.439 57.227 55.803 -0.025 0.000 0.847 366 Q CB -0.350 28.379 28.738 -0.016 0.000 0.903 366 Q HN 0.441 nan 8.270 nan 0.000 0.433 367 E N 1.088 121.269 120.200 -0.031 0.000 2.147 367 E HA -0.231 4.120 4.350 0.001 0.000 0.199 367 E C 2.129 178.714 176.600 -0.024 0.000 1.005 367 E CA 1.691 58.076 56.400 -0.026 0.000 0.810 367 E CB -0.116 29.563 29.700 -0.034 0.000 0.736 367 E HN 0.432 nan 8.360 nan 0.000 0.460 368 R N 0.325 120.805 120.500 -0.034 0.000 2.090 368 R HA -0.078 4.263 4.340 0.001 0.000 0.228 368 R C 2.668 178.954 176.300 -0.023 0.000 1.110 368 R CA 1.362 57.441 56.100 -0.034 0.000 0.973 368 R CB -0.332 29.939 30.300 -0.048 0.000 0.869 368 R HN 0.207 nan 8.270 nan 0.000 0.440 369 V N -1.775 118.127 119.914 -0.020 0.000 2.591 369 V HA 0.043 4.164 4.120 0.001 0.000 0.249 369 V C 2.248 178.337 176.094 -0.010 0.000 1.053 369 V CA 1.382 63.673 62.300 -0.015 0.000 1.068 369 V CB -0.731 31.084 31.823 -0.014 0.000 0.689 369 V HN 0.212 nan 8.190 nan 0.000 0.462 370 A N 1.199 124.013 122.820 -0.009 0.000 1.835 370 A HA -0.180 4.141 4.320 0.001 0.000 0.215 370 A C 2.330 179.914 177.584 0.001 0.000 1.199 370 A CA 2.286 54.320 52.037 -0.005 0.000 0.615 370 A CB -0.672 18.324 19.000 -0.006 0.000 0.838 370 A HN 0.554 nan 8.150 nan 0.000 0.444 371 K N -0.505 119.897 120.400 0.004 0.000 2.209 371 K HA 0.033 4.354 4.320 0.001 0.000 0.204 371 K C 1.826 178.437 176.600 0.017 0.000 1.048 371 K CA 0.939 57.236 56.287 0.018 0.000 0.940 371 K CB -0.308 32.210 32.500 0.029 0.000 0.729 371 K HN 0.439 nan 8.250 nan 0.000 0.451 372 L N -0.522 120.703 121.223 0.004 0.000 2.093 372 L HA -0.189 4.152 4.340 0.001 0.000 0.208 372 L C 1.873 178.746 176.870 0.004 0.000 1.085 372 L CA 1.524 56.365 54.840 0.001 0.000 0.755 372 L CB 0.007 42.061 42.059 -0.009 0.000 0.904 372 L HN 0.261 nan 8.230 nan 0.000 0.435 373 A N -2.509 120.313 122.820 0.002 0.000 2.011 373 A HA 0.196 4.517 4.320 0.001 0.000 0.170 373 A C 1.809 179.393 177.584 -0.000 0.000 1.938 373 A CA 0.442 52.479 52.037 0.001 0.000 1.498 373 A CB -0.914 18.085 19.000 -0.002 0.000 1.619 373 A HN 0.239 nan 8.150 nan 0.000 0.343 374 G N 0.044 108.843 108.800 -0.002 0.000 2.448 374 G HA2 0.465 4.426 3.960 0.001 0.000 0.218 374 G HA3 0.465 4.426 3.960 0.001 0.000 0.218 374 G C 1.245 176.143 174.900 -0.003 0.000 1.135 374 G CA 1.200 46.298 45.100 -0.003 0.000 0.784 374 G HN 2.011 nan 8.290 nan 0.000 0.543 375 G N -2.025 106.774 108.800 -0.001 0.000 2.710 375 G HA2 0.150 4.110 3.960 0.001 0.000 0.668 375 G HA3 0.150 4.110 3.960 0.001 0.000 0.668 375 G C -0.964 173.935 174.900 -0.003 0.000 1.320 375 G CA -0.452 44.647 45.100 -0.002 0.000 0.860 375 G HN 0.962 nan 8.290 nan 0.000 0.538 376 V N -0.060 119.851 119.914 -0.005 0.000 2.841 376 V HA 0.853 4.973 4.120 0.001 0.000 0.310 376 V C 0.592 176.680 176.094 -0.010 0.000 1.090 376 V CA -0.103 62.194 62.300 -0.006 0.000 0.930 376 V CB 1.594 33.415 31.823 -0.003 0.000 1.014 376 V HN 2.280 nan 8.190 nan 0.000 0.425 377 A N 3.565 126.379 122.820 -0.011 0.000 2.337 377 A HA 0.953 5.274 4.320 0.001 0.000 0.329 377 A C -1.016 176.560 177.584 -0.014 0.000 1.146 377 A CA -0.600 51.429 52.037 -0.013 0.000 0.800 377 A CB 1.698 20.689 19.000 -0.014 0.000 1.220 377 A HN 0.827 nan 8.150 nan 0.000 0.472 378 V N 2.921 122.827 119.914 -0.014 0.000 2.686 378 V HA 0.417 4.537 4.120 0.001 0.000 0.306 378 V C -0.686 175.400 176.094 -0.013 0.000 1.065 378 V CA -0.166 62.126 62.300 -0.014 0.000 0.894 378 V CB 1.660 33.475 31.823 -0.014 0.000 1.004 378 V HN 0.761 nan 8.190 nan 0.000 0.424 379 I N 3.964 124.527 120.570 -0.013 0.000 2.354 379 I HA 0.428 4.599 4.170 0.001 0.000 0.286 379 I C -0.325 175.787 176.117 -0.010 0.000 1.007 379 I CA -0.808 60.485 61.300 -0.012 0.000 1.167 379 I CB 1.650 39.643 38.000 -0.013 0.000 1.320 379 I HN 0.458 nan 8.210 nan 0.000 0.458 380 K N 5.249 125.643 120.400 -0.009 0.000 2.312 380 K HA 0.303 4.623 4.320 0.001 0.000 0.287 380 K C -0.513 176.083 176.600 -0.006 0.000 1.062 380 K CA -0.300 55.983 56.287 -0.007 0.000 0.934 380 K CB 0.940 33.435 32.500 -0.008 0.000 1.027 380 K HN 0.284 nan 8.250 nan 0.000 0.478 381 V N 2.571 122.483 119.914 -0.004 0.000 2.673 381 V HA 0.190 4.311 4.120 0.001 0.000 0.303 381 V C 0.962 177.055 176.094 -0.002 0.000 1.046 381 V CA -0.094 62.205 62.300 -0.002 0.000 1.126 381 V CB 0.861 32.684 31.823 0.000 0.000 0.934 381 V HN 0.836 nan 8.190 nan 0.000 0.487 382 G N 3.138 111.937 108.800 -0.002 0.000 2.384 382 G HA2 0.736 4.696 3.960 0.001 0.000 0.316 382 G HA3 0.736 4.696 3.960 0.001 0.000 0.316 382 G C -0.403 174.497 174.900 -0.001 0.000 1.160 382 G CA 0.317 45.416 45.100 -0.002 0.000 0.936 382 G HN 1.291 nan 8.290 nan 0.000 0.455 383 A N 1.075 123.895 122.820 -0.000 0.000 2.567 383 A HA 0.822 5.143 4.320 0.001 0.000 0.291 383 A C 0.448 178.032 177.584 0.001 0.000 1.048 383 A CA 0.287 52.324 52.037 0.001 0.000 0.661 383 A CB 0.448 19.449 19.000 0.002 0.000 1.288 383 A HN 1.678 nan 8.150 nan 0.000 0.424 384 A N 0.024 122.845 122.820 0.001 0.000 1.864 384 A HA 0.482 4.803 4.320 0.001 0.000 0.213 384 A C 1.439 179.025 177.584 0.002 0.000 1.266 384 A CA 2.063 54.101 52.037 0.001 0.000 0.612 384 A CB -1.056 17.945 19.000 0.001 0.000 0.940 384 A HN 2.037 nan 8.150 nan 0.000 0.463 385 T N -2.525 112.031 114.554 0.003 0.000 2.824 385 T HA 0.429 4.779 4.350 0.001 0.000 0.277 385 T C 0.501 175.204 174.700 0.006 0.000 0.975 385 T CA 0.117 62.219 62.100 0.004 0.000 0.966 385 T CB 1.238 70.109 68.868 0.004 0.000 1.054 385 T HN 0.362 nan 8.240 nan 0.000 0.533 386 E N -0.179 120.025 120.200 0.007 0.000 2.170 386 E HA -0.027 4.323 4.350 0.001 0.000 0.191 386 E C 2.259 178.866 176.600 0.011 0.000 0.981 386 E CA 0.805 57.211 56.400 0.009 0.000 0.830 386 E CB -0.195 29.512 29.700 0.011 0.000 0.775 386 E HN 0.611 nan 8.360 nan 0.000 0.470 387 V N -0.243 119.678 119.914 0.011 0.000 2.407 387 V HA -0.264 3.857 4.120 0.001 0.000 0.248 387 V C 2.101 178.201 176.094 0.010 0.000 1.055 387 V CA 2.116 64.422 62.300 0.011 0.000 1.049 387 V CB -0.491 31.337 31.823 0.009 0.000 0.662 387 V HN 0.162 nan 8.190 nan 0.000 0.455 388 E N -0.325 119.880 120.200 0.007 0.000 2.072 388 E HA -0.208 4.143 4.350 0.001 0.000 0.190 388 E C 2.138 178.742 176.600 0.007 0.000 0.982 388 E CA 1.382 57.786 56.400 0.006 0.000 0.803 388 E CB -0.169 29.533 29.700 0.004 0.000 0.755 388 E HN 0.550 nan 8.360 nan 0.000 0.453 389 M N 1.241 120.845 119.600 0.007 0.000 2.106 389 M HA -0.193 4.287 4.480 0.001 0.000 0.259 389 M C 1.706 178.011 176.300 0.009 0.000 1.068 389 M CA 1.786 57.090 55.300 0.007 0.000 1.100 389 M CB 0.067 32.671 32.600 0.007 0.000 1.351 389 M HN -0.092 nan 8.290 nan 0.000 0.404 390 K N -0.782 119.625 120.400 0.012 0.000 2.243 390 K HA -0.122 4.198 4.320 0.001 0.000 0.201 390 K C 1.744 178.354 176.600 0.016 0.000 1.051 390 K CA 1.284 57.580 56.287 0.015 0.000 0.970 390 K CB -0.063 32.448 32.500 0.018 0.000 0.755 390 K HN 0.513 nan 8.250 nan 0.000 0.465 391 E N 1.715 121.924 120.200 0.014 0.000 2.072 391 E HA -0.199 4.152 4.350 0.001 0.000 0.190 391 E C 1.840 178.448 176.600 0.013 0.000 0.982 391 E CA 1.336 57.745 56.400 0.014 0.000 0.803 391 E CB -0.094 29.612 29.700 0.011 0.000 0.755 391 E HN -0.068 nan 8.360 nan 0.000 0.453 392 K N 1.265 121.670 120.400 0.010 0.000 2.026 392 K HA -0.146 4.174 4.320 0.001 0.000 0.208 392 K C 2.145 178.751 176.600 0.009 0.000 1.048 392 K CA 2.114 58.405 56.287 0.008 0.000 0.929 392 K CB -0.323 32.180 32.500 0.005 0.000 0.713 392 K HN 0.191 nan 8.250 nan 0.000 0.439 393 K N -0.378 120.028 120.400 0.011 0.000 2.032 393 K HA -0.164 4.157 4.320 0.001 0.000 0.209 393 K C 1.942 178.554 176.600 0.020 0.000 1.048 393 K CA 1.529 57.824 56.287 0.013 0.000 0.927 393 K CB -0.376 32.132 32.500 0.014 0.000 0.712 393 K HN 0.232 nan 8.250 nan 0.000 0.441 394 A N 1.456 124.291 122.820 0.025 0.000 1.883 394 A HA -0.194 4.126 4.320 0.001 0.000 0.217 394 A C 2.103 179.710 177.584 0.038 0.000 1.186 394 A CA 1.703 53.762 52.037 0.036 0.000 0.624 394 A CB -0.555 18.464 19.000 0.032 0.000 0.822 394 A HN 0.353 nan 8.150 nan 0.000 0.444 395 R N -0.806 119.709 120.500 0.026 0.000 2.096 395 R HA -0.075 4.266 4.340 0.001 0.000 0.235 395 R C 2.013 178.325 176.300 0.020 0.000 1.127 395 R CA 1.373 57.487 56.100 0.023 0.000 0.968 395 R CB -0.562 29.747 30.300 0.014 0.000 0.861 395 R HN 0.408 nan 8.270 nan 0.000 0.440 396 V N 1.304 121.225 119.914 0.012 0.000 2.407 396 V HA -0.220 3.901 4.120 0.001 0.000 0.248 396 V C 1.996 178.085 176.094 -0.008 0.000 1.055 396 V CA 1.779 64.079 62.300 0.000 0.000 1.049 396 V CB -0.353 31.467 31.823 -0.005 0.000 0.662 396 V HN 0.355 nan 8.190 nan 0.000 0.455 397 E N -0.554 119.650 120.200 0.007 0.000 2.072 397 E HA -0.200 4.150 4.350 0.001 0.000 0.190 397 E C 2.030 178.674 176.600 0.072 0.000 0.982 397 E CA 1.110 57.509 56.400 -0.002 0.000 0.803 397 E CB -0.176 29.556 29.700 0.054 0.000 0.755 397 E HN 0.508 nan 8.360 nan 0.000 0.453 398 D N 0.510 120.986 120.400 0.127 0.000 2.123 398 D HA -0.139 4.502 4.640 0.001 0.000 0.196 398 D C 1.879 178.240 176.300 0.102 0.000 0.992 398 D CA 1.244 55.336 54.000 0.153 0.000 0.833 398 D CB -0.031 40.822 40.800 0.088 0.000 0.954 398 D HN 0.133 nan 8.370 nan 0.000 0.455 399 A N 0.879 123.726 122.820 0.046 0.000 1.969 399 A HA -0.103 4.218 4.320 0.001 0.000 0.218 399 A C 2.159 179.742 177.584 -0.001 0.000 1.169 399 A CA 0.625 52.675 52.037 0.022 0.000 0.635 399 A CB -0.471 18.533 19.000 0.008 0.000 0.810 399 A HN 0.284 nan 8.150 nan 0.000 0.445 400 L N -0.726 120.468 121.223 -0.049 0.000 2.056 400 L HA -0.130 4.211 4.340 0.001 0.000 0.207 400 L C 2.302 179.094 176.870 -0.129 0.000 1.078 400 L CA 2.082 56.852 54.840 -0.117 0.000 0.749 400 L CB -1.241 40.704 42.059 -0.189 0.000 0.901 400 L HN 0.488 nan 8.230 nan 0.000 0.433 401 H N 0.094 119.172 119.070 0.013 0.000 2.321 401 H HA -0.084 4.473 4.556 0.001 0.000 0.300 401 H C 2.176 177.513 175.328 0.015 0.000 1.087 401 H CA 1.533 57.591 56.048 0.017 0.000 1.319 401 H CB -0.262 29.512 29.762 0.020 0.000 1.379 401 H HN 0.437 nan 8.280 nan 0.000 0.501 402 A N 0.888 123.785 122.820 0.128 0.000 1.902 402 A HA -0.195 4.126 4.320 0.001 0.000 0.217 402 A C 2.722 180.333 177.584 0.044 0.000 1.181 402 A CA 2.609 54.690 52.037 0.073 0.000 0.623 402 A CB -0.978 18.055 19.000 0.054 0.000 0.818 402 A HN 0.619 nan 8.150 nan 0.000 0.443 403 T N -2.159 112.412 114.554 0.027 0.000 2.674 403 T HA -0.154 4.197 4.350 0.001 0.000 0.265 403 T C 2.010 176.720 174.700 0.015 0.000 1.039 403 T CA 1.103 63.211 62.100 0.013 0.000 1.150 403 T CB -0.375 68.492 68.868 -0.001 0.000 0.864 403 T HN 0.333 nan 8.240 nan 0.000 0.427 404 R N 1.862 122.372 120.500 0.017 0.000 2.096 404 R HA 0.068 4.408 4.340 0.001 0.000 0.240 404 R C 2.935 179.257 176.300 0.037 0.000 1.139 404 R CA 1.678 57.792 56.100 0.024 0.000 0.952 404 R CB -1.440 28.876 30.300 0.027 0.000 0.854 404 R HN 0.602 nan 8.270 nan 0.000 0.436 405 A N 0.967 123.819 122.820 0.053 0.000 1.933 405 A HA -0.081 4.240 4.320 0.001 0.000 0.218 405 A C 2.396 179.998 177.584 0.030 0.000 1.175 405 A CA 1.867 53.933 52.037 0.048 0.000 0.628 405 A CB -0.530 18.506 19.000 0.061 0.000 0.814 405 A HN 0.376 nan 8.150 nan 0.000 0.444 406 A N -0.614 122.221 122.820 0.026 0.000 1.877 406 A HA 0.005 4.326 4.320 0.001 0.000 0.216 406 A C 2.211 179.803 177.584 0.013 0.000 1.186 406 A CA 1.745 53.792 52.037 0.017 0.000 0.620 406 A CB -0.918 18.090 19.000 0.014 0.000 0.822 406 A HN 0.393 nan 8.150 nan 0.000 0.443 407 V N 1.261 121.184 119.914 0.014 0.000 2.407 407 V HA -0.268 3.853 4.120 0.001 0.000 0.248 407 V C 2.548 178.649 176.094 0.011 0.000 1.055 407 V CA 2.280 64.586 62.300 0.010 0.000 1.049 407 V CB -0.909 30.919 31.823 0.008 0.000 0.662 407 V HN 0.915 nan 8.190 nan 0.000 0.455 408 E N 0.099 120.308 120.200 0.015 0.000 2.230 408 E HA -0.168 4.183 4.350 0.001 0.000 0.192 408 E C 1.814 178.421 176.600 0.011 0.000 0.987 408 E CA 1.312 57.721 56.400 0.015 0.000 0.841 408 E CB 0.011 29.723 29.700 0.020 0.000 0.783 408 E HN 0.674 nan 8.360 nan 0.000 0.481 409 E N 0.016 120.222 120.200 0.010 0.000 2.676 409 E HA 0.217 4.568 4.350 0.001 0.000 0.225 409 E C 0.215 176.818 176.600 0.004 0.000 0.944 409 E CA 0.320 56.723 56.400 0.006 0.000 1.156 409 E CB 1.075 30.777 29.700 0.003 0.000 1.117 409 E HN 0.346 nan 8.360 nan 0.000 0.523 410 G N 0.381 109.185 108.800 0.006 0.000 2.627 410 G HA2 -0.191 3.770 3.960 0.001 0.000 0.214 410 G HA3 -0.191 3.770 3.960 0.001 0.000 0.214 410 G C -0.537 174.366 174.900 0.006 0.000 1.331 410 G CA -0.478 44.626 45.100 0.006 0.000 0.891 410 G HN 0.647 nan 8.290 nan 0.000 0.539 411 V N -2.595 117.323 119.914 0.006 0.000 2.962 411 V HA 0.967 5.087 4.120 0.001 0.000 0.313 411 V C 0.604 176.701 176.094 0.006 0.000 1.099 411 V CA 0.031 62.334 62.300 0.006 0.000 0.971 411 V CB 1.151 32.978 31.823 0.006 0.000 1.028 411 V HN 2.398 nan 8.190 nan 0.000 0.430 412 V N -0.312 119.605 119.914 0.006 0.000 3.155 412 V HA 1.024 5.145 4.120 0.001 0.000 0.313 412 V C 0.590 176.690 176.094 0.010 0.000 1.162 412 V CA -0.666 61.639 62.300 0.009 0.000 1.048 412 V CB 1.383 33.210 31.823 0.007 0.000 1.092 412 V HN 1.983 nan 8.190 nan 0.000 0.447 413 A N 0.729 123.558 122.820 0.014 0.000 2.520 413 A HA 0.624 4.945 4.320 0.001 0.000 0.245 413 A C 0.848 178.437 177.584 0.008 0.000 1.072 413 A CA 0.593 52.639 52.037 0.015 0.000 0.761 413 A CB -0.593 18.423 19.000 0.027 0.000 1.004 413 A HN 1.884 nan 8.150 nan 0.000 0.499 414 G N 0.609 109.410 108.800 0.001 0.000 2.508 414 G HA2 0.510 4.471 3.960 0.001 0.000 0.278 414 G HA3 0.510 4.471 3.960 0.001 0.000 0.278 414 G C 1.169 176.064 174.900 -0.008 0.000 1.389 414 G CA -0.028 45.070 45.100 -0.005 0.000 1.050 414 G HN 2.242 nan 8.290 nan 0.000 0.522 415 G N -2.107 106.687 108.800 -0.011 0.000 2.187 415 G HA2 0.181 4.142 3.960 0.001 0.000 0.261 415 G HA3 0.181 4.142 3.960 0.001 0.000 0.261 415 G C 1.553 176.453 174.900 0.001 0.000 1.000 415 G CA 1.256 46.351 45.100 -0.008 0.000 0.718 415 G HN 2.492 nan 8.290 nan 0.000 0.519 416 G N -2.356 106.446 108.800 0.002 0.000 2.168 416 G HA2 -0.197 3.764 3.960 0.001 0.000 0.263 416 G HA3 -0.197 3.764 3.960 0.001 0.000 0.263 416 G C 1.476 176.381 174.900 0.009 0.000 0.977 416 G CA 1.472 46.575 45.100 0.005 0.000 0.659 416 G HN 1.693 nan 8.290 nan 0.000 0.533 417 V N 0.495 120.415 119.914 0.010 0.000 2.594 417 V HA 0.090 4.211 4.120 0.001 0.000 0.253 417 V C 3.017 179.125 176.094 0.024 0.000 1.069 417 V CA 2.717 65.028 62.300 0.018 0.000 1.082 417 V CB -0.569 31.265 31.823 0.018 0.000 0.680 417 V HN 1.154 nan 8.190 nan 0.000 0.469 418 A N -0.217 122.614 122.820 0.019 0.000 1.986 418 A HA -0.210 4.111 4.320 0.001 0.000 0.220 418 A C 2.119 179.712 177.584 0.014 0.000 1.171 418 A CA 2.179 54.226 52.037 0.018 0.000 0.640 418 A CB -0.534 18.473 19.000 0.012 0.000 0.811 418 A HN 0.589 nan 8.150 nan 0.000 0.451 419 L N -0.727 120.503 121.223 0.011 0.000 2.012 419 L HA -0.206 4.135 4.340 0.001 0.000 0.210 419 L C 2.488 179.366 176.870 0.014 0.000 1.073 419 L CA 1.487 56.332 54.840 0.009 0.000 0.748 419 L CB -0.587 41.476 42.059 0.006 0.000 0.891 419 L HN 0.382 nan 8.230 nan 0.000 0.431 420 I N -0.663 119.919 120.570 0.020 0.000 2.286 420 I HA -0.259 3.912 4.170 0.001 0.000 0.248 420 I C 2.716 178.850 176.117 0.029 0.000 1.115 420 I CA 0.894 62.210 61.300 0.026 0.000 1.392 420 I CB -0.355 37.665 38.000 0.034 0.000 1.065 420 I HN 0.274 nan 8.210 nan 0.000 0.418 421 R N 0.669 121.188 120.500 0.031 0.000 2.092 421 R HA -0.098 4.242 4.340 0.001 0.000 0.231 421 R C 2.286 178.599 176.300 0.021 0.000 1.119 421 R CA 1.627 57.745 56.100 0.031 0.000 0.970 421 R CB -1.373 28.948 30.300 0.034 0.000 0.864 421 R HN 0.469 nan 8.270 nan 0.000 0.440 422 V N -1.640 118.283 119.914 0.016 0.000 2.719 422 V HA 0.105 4.225 4.120 0.001 0.000 0.252 422 V C 2.252 178.352 176.094 0.010 0.000 1.065 422 V CA 1.269 63.575 62.300 0.010 0.000 1.086 422 V CB -0.849 30.977 31.823 0.005 0.000 0.700 422 V HN 0.133 nan 8.190 nan 0.000 0.467 423 A N 2.182 125.009 122.820 0.012 0.000 1.855 423 A HA -0.143 4.178 4.320 0.001 0.000 0.215 423 A C 2.543 180.135 177.584 0.013 0.000 1.191 423 A CA 2.528 54.572 52.037 0.012 0.000 0.613 423 A CB -1.150 17.858 19.000 0.013 0.000 0.829 423 A HN 0.903 nan 8.150 nan 0.000 0.442 424 S N -0.489 115.221 115.700 0.016 0.000 2.481 424 S HA -0.045 4.426 4.470 0.001 0.000 0.231 424 S C 1.681 176.288 174.600 0.013 0.000 0.996 424 S CA 1.204 59.413 58.200 0.015 0.000 0.942 424 S CB -0.198 63.014 63.200 0.020 0.000 0.768 424 S HN 0.557 nan 8.310 nan 0.000 0.520 425 K N 0.858 121.266 120.400 0.012 0.000 2.097 425 K HA 0.160 4.481 4.320 0.001 0.000 0.205 425 K C 1.375 177.980 176.600 0.007 0.000 1.050 425 K CA 1.137 57.430 56.287 0.010 0.000 0.938 425 K CB -0.204 32.302 32.500 0.009 0.000 0.718 425 K HN 0.396 nan 8.250 nan 0.000 0.442 426 L N -0.457 120.770 121.223 0.007 0.000 2.640 426 L HA 0.195 4.536 4.340 0.001 0.000 0.230 426 L C 1.816 178.690 176.870 0.006 0.000 1.123 426 L CA -0.239 54.604 54.840 0.006 0.000 0.900 426 L CB 0.252 42.314 42.059 0.005 0.000 1.146 426 L HN 0.081 nan 8.230 nan 0.000 0.484 427 A N 0.107 122.931 122.820 0.006 0.000 2.032 427 A HA -0.219 4.101 4.320 0.001 0.000 0.221 427 A C 1.715 179.302 177.584 0.005 0.000 1.165 427 A CA 1.779 53.820 52.037 0.006 0.000 0.645 427 A CB -0.249 18.755 19.000 0.007 0.000 0.807 427 A HN 0.352 nan 8.150 nan 0.000 0.453 428 D N -1.029 119.374 120.400 0.005 0.000 2.340 428 D HA 0.095 4.736 4.640 0.001 0.000 0.220 428 D C 0.398 176.700 176.300 0.004 0.000 1.039 428 D CA -0.092 53.910 54.000 0.004 0.000 0.866 428 D CB -0.091 40.711 40.800 0.003 0.000 0.913 428 D HN 0.370 nan 8.370 nan 0.000 0.523 429 L N 1.756 122.982 121.223 0.004 0.000 2.456 429 L HA 0.092 4.433 4.340 0.001 0.000 0.272 429 L C 0.082 176.955 176.870 0.004 0.000 1.189 429 L CA 0.535 55.377 54.840 0.004 0.000 0.846 429 L CB 0.287 42.348 42.059 0.004 0.000 1.111 429 L HN -0.233 nan 8.230 nan 0.000 0.475 430 R N 2.970 123.472 120.500 0.004 0.000 2.808 430 R HA 0.680 5.021 4.340 0.001 0.000 0.272 430 R C -0.192 176.111 176.300 0.004 0.000 0.995 430 R CA -0.302 55.801 56.100 0.004 0.000 0.917 430 R CB 1.397 31.700 30.300 0.004 0.000 1.217 430 R HN 0.838 nan 8.270 nan 0.000 0.471 431 G N -0.283 108.519 108.800 0.005 0.000 2.890 431 G HA2 0.185 4.146 3.960 0.001 0.000 0.189 431 G HA3 0.185 4.146 3.960 0.001 0.000 0.189 431 G C 0.113 175.016 174.900 0.005 0.000 1.342 431 G CA -0.223 44.880 45.100 0.005 0.000 1.026 431 G HN 0.419 nan 8.290 nan 0.000 0.579 432 Q N -0.205 119.598 119.800 0.005 0.000 2.378 432 Q HA 0.087 4.428 4.340 0.001 0.000 0.205 432 Q C 0.037 176.040 176.000 0.005 0.000 0.954 432 Q CA 0.793 56.599 55.803 0.005 0.000 0.901 432 Q CB 0.066 28.807 28.738 0.005 0.000 0.981 432 Q HN 0.592 nan 8.270 nan 0.000 0.483 433 N N -2.142 116.561 118.700 0.005 0.000 3.116 433 N HA -0.004 4.737 4.740 0.001 0.000 0.244 433 N C -0.236 175.277 175.510 0.005 0.000 1.485 433 N CA -0.492 52.561 53.050 0.005 0.000 0.884 433 N CB 0.642 39.132 38.487 0.006 0.000 1.415 433 N HN -0.262 nan 8.380 nan 0.000 0.524 434 E N -0.064 120.140 120.200 0.005 0.000 2.204 434 E HA -0.065 4.285 4.350 0.001 0.000 0.194 434 E C 0.130 176.733 176.600 0.006 0.000 0.989 434 E CA 1.539 57.942 56.400 0.005 0.000 0.824 434 E CB -0.306 29.396 29.700 0.005 0.000 0.756 434 E HN 0.654 nan 8.360 nan 0.000 0.477 435 D N -0.047 120.357 120.400 0.007 0.000 2.123 435 D HA -0.206 4.435 4.640 0.001 0.000 0.196 435 D C 1.811 178.116 176.300 0.008 0.000 0.992 435 D CA 1.365 55.369 54.000 0.008 0.000 0.833 435 D CB -0.119 40.686 40.800 0.009 0.000 0.954 435 D HN 0.293 nan 8.370 nan 0.000 0.455 436 Q N -0.175 119.629 119.800 0.008 0.000 2.123 436 Q HA -0.058 4.283 4.340 0.001 0.000 0.199 436 Q C 1.672 177.676 176.000 0.007 0.000 0.966 436 Q CA 0.697 56.504 55.803 0.007 0.000 0.845 436 Q CB 0.051 28.793 28.738 0.007 0.000 0.907 436 Q HN 0.287 nan 8.270 nan 0.000 0.439 437 N N 0.051 118.754 118.700 0.006 0.000 2.166 437 N HA -0.119 4.622 4.740 0.001 0.000 0.186 437 N C 1.824 177.338 175.510 0.006 0.000 1.019 437 N CA 1.003 54.057 53.050 0.006 0.000 0.856 437 N CB -0.270 38.220 38.487 0.005 0.000 0.993 437 N HN 0.052 nan 8.380 nan 0.000 0.426 438 V N 0.861 120.779 119.914 0.007 0.000 2.427 438 V HA -0.110 4.011 4.120 0.001 0.000 0.248 438 V C 2.438 178.537 176.094 0.008 0.000 1.051 438 V CA 1.939 64.243 62.300 0.007 0.000 1.048 438 V CB -1.190 30.638 31.823 0.008 0.000 0.666 438 V HN 0.334 nan 8.190 nan 0.000 0.456 439 G N -0.040 108.765 108.800 0.008 0.000 2.418 439 G HA2 -0.218 3.743 3.960 0.001 0.000 0.217 439 G HA3 -0.218 3.743 3.960 0.001 0.000 0.217 439 G C 1.580 176.485 174.900 0.008 0.000 1.158 439 G CA 1.018 46.123 45.100 0.009 0.000 0.771 439 G HN 0.477 nan 8.290 nan 0.000 0.545 440 I N 0.191 120.766 120.570 0.007 0.000 2.127 440 I HA -0.174 3.997 4.170 0.001 0.000 0.241 440 I C 2.801 178.922 176.117 0.007 0.000 1.075 440 I CA 1.377 62.681 61.300 0.006 0.000 1.334 440 I CB -0.129 37.874 38.000 0.006 0.000 1.040 440 I HN 0.019 nan 8.210 nan 0.000 0.405 441 K N 0.449 120.853 120.400 0.007 0.000 2.063 441 K HA -0.134 4.187 4.320 0.001 0.000 0.208 441 K C 1.934 178.538 176.600 0.008 0.000 1.048 441 K CA 1.132 57.424 56.287 0.007 0.000 0.928 441 K CB -0.570 31.935 32.500 0.007 0.000 0.713 441 K HN 0.113 nan 8.250 nan 0.000 0.442 442 V N 0.549 120.468 119.914 0.009 0.000 2.295 442 V HA -0.294 3.827 4.120 0.001 0.000 0.246 442 V C 2.185 178.285 176.094 0.009 0.000 1.049 442 V CA 2.093 64.398 62.300 0.009 0.000 1.024 442 V CB -0.758 31.072 31.823 0.010 0.000 0.648 442 V HN 0.416 nan 8.190 nan 0.000 0.447 443 A N -0.287 122.539 122.820 0.009 0.000 1.877 443 A HA -0.147 4.173 4.320 0.001 0.000 0.216 443 A C 2.183 179.771 177.584 0.007 0.000 1.186 443 A CA 1.861 53.903 52.037 0.008 0.000 0.620 443 A CB -0.549 18.455 19.000 0.006 0.000 0.822 443 A HN 0.504 nan 8.150 nan 0.000 0.443 444 L N -1.248 119.979 121.223 0.007 0.000 2.093 444 L HA -0.127 4.214 4.340 0.001 0.000 0.208 444 L C 2.765 179.641 176.870 0.009 0.000 1.085 444 L CA 1.544 56.389 54.840 0.008 0.000 0.755 444 L CB -0.549 41.515 42.059 0.007 0.000 0.904 444 L HN 0.463 nan 8.230 nan 0.000 0.435 445 R N 0.813 121.318 120.500 0.009 0.000 2.091 445 R HA -0.179 4.162 4.340 0.001 0.000 0.238 445 R C 2.270 178.576 176.300 0.010 0.000 1.136 445 R CA 1.504 57.610 56.100 0.010 0.000 0.959 445 R CB -0.212 30.093 30.300 0.009 0.000 0.856 445 R HN 0.334 nan 8.270 nan 0.000 0.437 446 A N 0.482 123.308 122.820 0.010 0.000 2.121 446 A HA -0.104 4.217 4.320 0.001 0.000 0.218 446 A C 2.009 179.600 177.584 0.010 0.000 1.154 446 A CA 1.132 53.175 52.037 0.010 0.000 0.679 446 A CB -0.344 18.662 19.000 0.011 0.000 0.795 446 A HN 0.371 nan 8.150 nan 0.000 0.458 447 M N -1.047 118.559 119.600 0.010 0.000 2.549 447 M HA -0.083 4.398 4.480 0.001 0.000 0.260 447 M C 1.834 178.142 176.300 0.012 0.000 1.076 447 M CA 1.109 56.415 55.300 0.010 0.000 1.090 447 M CB -0.143 32.462 32.600 0.009 0.000 1.418 447 M HN 0.539 nan 8.290 nan 0.000 0.486 448 E N 0.569 120.777 120.200 0.013 0.000 2.285 448 E HA -0.064 4.287 4.350 0.001 0.000 0.194 448 E C 1.934 178.541 176.600 0.012 0.000 0.997 448 E CA 0.639 57.048 56.400 0.014 0.000 0.845 448 E CB 0.207 29.915 29.700 0.014 0.000 0.782 448 E HN 0.485 nan 8.360 nan 0.000 0.491 449 A N 1.800 124.627 122.820 0.012 0.000 1.902 449 A HA -0.101 4.220 4.320 0.001 0.000 0.217 449 A C -0.410 177.181 177.584 0.011 0.000 1.181 449 A CA 1.043 53.087 52.037 0.011 0.000 0.623 449 A CB -1.388 17.619 19.000 0.011 0.000 0.818 449 A HN 0.235 nan 8.150 nan 0.000 0.443 450 P HA -0.183 nan 4.420 nan 0.000 0.215 450 P C 1.817 179.124 177.300 0.012 0.000 1.157 450 P CA 0.922 64.028 63.100 0.011 0.000 0.874 450 P CB -0.138 31.568 31.700 0.010 0.000 0.790 451 L N -0.144 121.087 121.223 0.013 0.000 1.994 451 L HA -0.162 4.179 4.340 0.001 0.000 0.208 451 L C 2.226 179.104 176.870 0.014 0.000 1.071 451 L CA 2.109 56.958 54.840 0.015 0.000 0.745 451 L CB -1.036 41.033 42.059 0.016 0.000 0.892 451 L HN -0.040 nan 8.230 nan 0.000 0.431 452 R N -0.690 119.817 120.500 0.011 0.000 2.105 452 R HA -0.182 4.159 4.340 0.001 0.000 0.239 452 R C 2.136 178.441 176.300 0.010 0.000 1.135 452 R CA 1.385 57.490 56.100 0.009 0.000 0.967 452 R CB -0.114 30.191 30.300 0.008 0.000 0.861 452 R HN 0.578 nan 8.270 nan 0.000 0.442 453 Q N 0.244 120.050 119.800 0.011 0.000 2.137 453 Q HA -0.037 4.303 4.340 0.001 0.000 0.198 453 Q C 2.227 178.234 176.000 0.011 0.000 0.960 453 Q CA 0.944 56.753 55.803 0.010 0.000 0.847 453 Q CB -0.059 28.685 28.738 0.010 0.000 0.915 453 Q HN 0.402 nan 8.270 nan 0.000 0.448 454 I N 0.128 120.705 120.570 0.013 0.000 2.127 454 I HA -0.263 3.908 4.170 0.001 0.000 0.241 454 I C 2.265 178.394 176.117 0.021 0.000 1.075 454 I CA 1.005 62.314 61.300 0.014 0.000 1.334 454 I CB -0.309 37.699 38.000 0.014 0.000 1.040 454 I HN -0.039 nan 8.210 nan 0.000 0.405 455 V N 0.424 120.353 119.914 0.025 0.000 2.515 455 V HA -0.239 3.882 4.120 0.001 0.000 0.250 455 V C 2.314 178.421 176.094 0.021 0.000 1.058 455 V CA 1.332 63.651 62.300 0.031 0.000 1.064 455 V CB -0.448 31.386 31.823 0.018 0.000 0.675 455 V HN 0.350 nan 8.190 nan 0.000 0.461 456 L N 0.583 121.814 121.223 0.014 0.000 2.083 456 L HA -0.132 4.209 4.340 0.001 0.000 0.209 456 L C 2.140 179.017 176.870 0.011 0.000 1.083 456 L CA 1.891 56.738 54.840 0.011 0.000 0.752 456 L CB -0.868 41.197 42.059 0.009 0.000 0.899 456 L HN 0.327 nan 8.230 nan 0.000 0.433 457 N N -1.371 117.336 118.700 0.012 0.000 2.309 457 N HA -0.154 4.587 4.740 0.001 0.000 0.182 457 N C 1.568 177.084 175.510 0.011 0.000 1.018 457 N CA 1.549 54.604 53.050 0.009 0.000 0.876 457 N CB -0.114 38.377 38.487 0.007 0.000 0.972 457 N HN 0.437 nan 8.380 nan 0.000 0.434 458 C N -0.552 118.759 119.300 0.018 0.000 2.594 458 C HA 0.210 4.671 4.460 0.001 0.000 0.265 458 C C 1.929 176.936 174.990 0.028 0.000 1.351 458 C CA 0.423 59.456 59.018 0.024 0.000 1.744 458 C CB -0.643 27.124 27.740 0.045 0.000 1.890 458 C HN 0.646 nan 8.230 nan 0.000 0.551 459 G N 0.739 109.553 108.800 0.023 0.000 2.304 459 G HA2 -0.249 3.711 3.960 0.001 0.000 0.252 459 G HA3 -0.249 3.711 3.960 0.001 0.000 0.252 459 G C -0.059 174.854 174.900 0.022 0.000 1.014 459 G CA 0.463 45.575 45.100 0.020 0.000 0.619 459 G HN 0.522 nan 8.290 nan 0.000 0.525 460 E N 1.708 121.928 120.200 0.035 0.000 2.459 460 E HA 0.402 4.753 4.350 0.001 0.000 0.264 460 E C 0.568 177.168 176.600 0.001 0.000 1.055 460 E CA 0.390 56.803 56.400 0.022 0.000 0.957 460 E CB 0.319 30.041 29.700 0.038 0.000 0.952 460 E HN 0.558 nan 8.360 nan 0.000 0.448 461 E N 3.802 123.993 120.200 -0.015 0.000 2.152 461 E HA 0.059 4.410 4.350 0.001 0.000 0.285 461 E C -1.709 174.878 176.600 -0.021 0.000 1.043 461 E CA -1.621 54.771 56.400 -0.013 0.000 0.839 461 E CB 0.824 30.518 29.700 -0.009 0.000 1.069 461 E HN 0.338 nan 8.360 nan 0.000 0.399 462 P HA -0.271 nan 4.420 nan 0.000 0.216 462 P C 1.402 178.693 177.300 -0.014 0.000 1.157 462 P CA 1.584 64.678 63.100 -0.011 0.000 0.880 462 P CB 0.155 31.855 31.700 -0.002 0.000 0.791 463 S N -1.732 113.962 115.700 -0.010 0.000 2.447 463 S HA -0.090 4.381 4.470 0.001 0.000 0.233 463 S C 1.921 176.513 174.600 -0.012 0.000 1.006 463 S CA 1.113 59.308 58.200 -0.007 0.000 0.957 463 S CB -1.580 61.617 63.200 -0.004 0.000 0.773 463 S HN -0.035 nan 8.310 nan 0.000 0.507 464 V N 1.668 121.567 119.914 -0.024 0.000 2.255 464 V HA -0.098 4.023 4.120 0.001 0.000 0.243 464 V C 2.604 178.675 176.094 -0.038 0.000 1.038 464 V CA 1.574 63.855 62.300 -0.031 0.000 1.008 464 V CB -0.802 30.995 31.823 -0.043 0.000 0.645 464 V HN 0.449 nan 8.190 nan 0.000 0.449 465 V N 0.391 120.254 119.914 -0.086 0.000 2.427 465 V HA -0.176 3.945 4.120 0.001 0.000 0.248 465 V C 2.700 178.787 176.094 -0.012 0.000 1.051 465 V CA 1.689 63.922 62.300 -0.112 0.000 1.048 465 V CB -1.171 30.510 31.823 -0.236 0.000 0.666 465 V HN 0.525 nan 8.190 nan 0.000 0.456 466 A N 0.882 123.698 122.820 -0.007 0.000 1.865 466 A HA -0.246 4.075 4.320 0.001 0.000 0.217 466 A C 2.038 179.640 177.584 0.030 0.000 1.191 466 A CA 2.294 54.340 52.037 0.015 0.000 0.623 466 A CB -0.703 18.302 19.000 0.009 0.000 0.826 466 A HN 0.573 nan 8.150 nan 0.000 0.444 467 N N -0.346 118.366 118.700 0.020 0.000 2.396 467 N HA -0.091 4.650 4.740 0.001 0.000 0.180 467 N C 1.862 177.394 175.510 0.036 0.000 1.028 467 N CA 1.845 54.908 53.050 0.023 0.000 0.893 467 N CB -0.616 37.876 38.487 0.008 0.000 0.967 467 N HN 0.753 nan 8.380 nan 0.000 0.440 468 T N -1.996 112.587 114.554 0.048 0.000 2.770 468 T HA 0.006 4.356 4.350 0.001 0.000 0.258 468 T C 2.049 176.872 174.700 0.205 0.000 1.039 468 T CA 0.843 62.987 62.100 0.073 0.000 1.143 468 T CB -0.803 68.067 68.868 0.003 0.000 0.866 468 T HN -0.108 nan 8.240 nan 0.000 0.428 469 V N 1.994 122.020 119.914 0.187 0.000 2.490 469 V HA -0.089 4.032 4.120 0.001 0.000 0.250 469 V C 2.678 178.883 176.094 0.186 0.000 1.061 469 V CA 1.575 63.984 62.300 0.180 0.000 1.064 469 V CB -0.688 31.172 31.823 0.061 0.000 0.670 469 V HN 0.510 nan 8.190 nan 0.000 0.461 470 K N 0.142 120.614 120.400 0.120 0.000 2.283 470 K HA -0.042 4.279 4.320 0.001 0.000 0.202 470 K C 2.158 178.809 176.600 0.086 0.000 1.048 470 K CA 1.142 57.482 56.287 0.089 0.000 0.948 470 K CB -0.326 32.206 32.500 0.053 0.000 0.742 470 K HN 0.570 nan 8.250 nan 0.000 0.458 471 G N 0.988 109.844 108.800 0.094 0.000 2.408 471 G HA2 -0.040 3.921 3.960 0.001 0.000 0.213 471 G HA3 -0.040 3.921 3.960 0.001 0.000 0.213 471 G C 0.657 175.560 174.900 0.005 0.000 1.177 471 G CA 0.366 45.489 45.100 0.038 0.000 0.802 471 G HN 0.336 nan 8.290 nan 0.000 0.533 472 G N -0.150 108.654 108.800 0.006 0.000 2.448 472 G HA2 0.497 4.457 3.960 0.001 0.000 0.285 472 G HA3 0.497 4.457 3.960 0.001 0.000 0.285 472 G C -1.038 173.910 174.900 0.081 0.000 1.176 472 G CA -0.396 44.608 45.100 -0.159 0.000 0.852 472 G HN 0.152 nan 8.290 nan 0.000 0.530 473 D N -0.502 119.912 120.400 0.024 0.000 2.442 473 D HA 0.581 5.222 4.640 0.001 0.000 0.254 473 D C 1.068 177.440 176.300 0.121 0.000 1.069 473 D CA 0.752 54.800 54.000 0.081 0.000 1.017 473 D CB 1.842 42.659 40.800 0.028 0.000 1.172 473 D HN 0.764 nan 8.370 nan 0.000 0.561 474 G N 1.221 110.079 108.800 0.096 0.000 2.536 474 G HA2 -0.356 3.604 3.960 0.001 0.000 0.280 474 G HA3 -0.356 3.604 3.960 0.001 0.000 0.280 474 G C 0.638 175.602 174.900 0.106 0.000 1.152 474 G CA 0.572 45.722 45.100 0.083 0.000 0.970 474 G HN 0.543 nan 8.290 nan 0.000 0.549 475 N N 0.048 118.812 118.700 0.107 0.000 2.515 475 N HA 0.170 4.911 4.740 0.001 0.000 0.185 475 N C 0.726 176.324 175.510 0.148 0.000 1.109 475 N CA 0.740 53.850 53.050 0.101 0.000 0.903 475 N CB -0.006 38.527 38.487 0.078 0.000 0.969 475 N HN 0.542 nan 8.380 nan 0.000 0.450 476 Y N 1.188 121.521 120.300 0.054 0.000 2.610 476 Y HA 0.363 4.914 4.550 0.001 0.000 0.332 476 Y C 0.890 176.856 175.900 0.111 0.000 1.201 476 Y CA 0.337 58.487 58.100 0.083 0.000 1.465 476 Y CB -0.019 38.485 38.460 0.073 0.000 1.283 476 Y HN 0.073 nan 8.280 nan 0.000 0.563 477 G N 3.617 112.148 108.800 -0.448 0.000 2.490 477 G HA2 0.264 4.225 3.960 0.001 0.000 0.308 477 G HA3 0.264 4.225 3.960 0.001 0.000 0.308 477 G C -2.516 172.240 174.900 -0.241 0.000 1.286 477 G CA -0.914 43.972 45.100 -0.357 0.000 0.825 477 G HN 0.559 nan 8.290 nan 0.000 0.479 478 Y N 1.494 121.597 120.300 -0.329 0.000 2.326 478 Y HA 0.582 5.133 4.550 0.001 0.000 0.331 478 Y C -0.099 175.621 175.900 -0.299 0.000 0.962 478 Y CA -1.558 56.255 58.100 -0.480 0.000 1.167 478 Y CB 1.641 39.737 38.460 -0.607 0.000 1.148 478 Y HN 0.434 nan 8.280 nan 0.000 0.463 479 N N 4.796 123.107 118.700 -0.649 0.000 2.466 479 N HA 0.109 4.850 4.740 0.001 0.000 0.263 479 N C 0.490 175.452 175.510 -0.912 0.000 1.178 479 N CA 0.628 53.336 53.050 -0.570 0.000 0.983 479 N CB 0.836 39.111 38.487 -0.353 0.000 1.331 479 N HN 0.830 nan 8.380 nan 0.000 0.500 480 A N 2.936 125.324 122.820 -0.720 0.000 2.209 480 A HA 0.091 4.412 4.320 0.001 0.000 0.212 480 A C 1.908 179.333 177.584 -0.264 0.000 1.158 480 A CA 1.145 52.885 52.037 -0.496 0.000 0.742 480 A CB -0.218 18.719 19.000 -0.104 0.000 0.790 480 A HN 0.665 nan 8.150 nan 0.000 0.472 481 A N -0.314 122.363 122.820 -0.239 0.000 1.903 481 A HA 0.019 4.340 4.320 0.001 0.000 0.213 481 A C 2.355 179.855 177.584 -0.140 0.000 1.185 481 A CA 2.020 53.970 52.037 -0.146 0.000 0.628 481 A CB -0.832 18.099 19.000 -0.115 0.000 0.830 481 A HN 0.666 nan 8.150 nan 0.000 0.446 482 T N -3.835 110.611 114.554 -0.180 0.000 3.051 482 T HA 0.213 4.564 4.350 0.001 0.000 0.255 482 T C 0.271 174.880 174.700 -0.152 0.000 1.085 482 T CA 0.870 62.887 62.100 -0.139 0.000 1.109 482 T CB -0.153 68.644 68.868 -0.117 0.000 0.921 482 T HN 0.551 nan 8.240 nan 0.000 0.488 483 E N 1.234 121.263 120.200 -0.284 0.000 2.459 483 E HA -0.090 4.261 4.350 0.001 0.000 0.310 483 E C -0.418 176.058 176.600 -0.206 0.000 1.002 483 E CA 0.431 56.671 56.400 -0.267 0.000 0.918 483 E CB -1.666 28.024 29.700 -0.018 0.000 1.359 483 E HN 0.952 nan 8.360 nan 0.000 0.403 484 E N -0.721 119.190 120.200 -0.481 0.000 2.445 484 E HA 0.564 4.914 4.350 0.001 0.000 0.279 484 E C -1.151 175.306 176.600 -0.237 0.000 1.018 484 E CA -0.918 55.403 56.400 -0.132 0.000 0.816 484 E CB 1.167 30.860 29.700 -0.012 0.000 1.356 484 E HN 0.029 nan 8.360 nan 0.000 0.462 485 Y N -0.559 119.823 120.300 0.136 0.000 2.496 485 Y HA 0.755 5.306 4.550 0.001 0.000 0.331 485 Y C 0.852 176.809 175.900 0.094 0.000 1.140 485 Y CA 0.614 58.792 58.100 0.130 0.000 1.166 485 Y CB 2.322 40.920 38.460 0.231 0.000 1.249 485 Y HN 0.907 nan 8.280 nan 0.000 0.479 486 G N 0.632 109.584 108.800 0.253 0.000 2.323 486 G HA2 -0.010 3.951 3.960 0.001 0.000 0.291 486 G HA3 -0.010 3.951 3.960 0.001 0.000 0.291 486 G C -1.821 173.195 174.900 0.193 0.000 1.278 486 G CA -1.239 44.000 45.100 0.232 0.000 0.860 486 G HN 0.494 nan 8.290 nan 0.000 0.504 487 N N 1.024 119.816 118.700 0.154 0.000 2.452 487 N HA 0.086 4.826 4.740 0.001 0.000 0.266 487 N C 1.818 177.358 175.510 0.050 0.000 1.209 487 N CA -0.336 52.780 53.050 0.110 0.000 0.929 487 N CB 0.755 39.295 38.487 0.088 0.000 1.063 487 N HN 0.386 nan 8.380 nan 0.000 0.472 488 M N 3.614 123.232 119.600 0.030 0.000 2.202 488 M HA -0.171 4.309 4.480 0.001 0.000 0.262 488 M C 1.525 177.824 176.300 -0.003 0.000 1.063 488 M CA 0.926 56.224 55.300 -0.004 0.000 1.097 488 M CB -0.550 32.045 32.600 -0.008 0.000 1.382 488 M HN 0.547 nan 8.290 nan 0.000 0.413 489 I N 0.522 121.099 120.570 0.011 0.000 2.099 489 I HA -0.292 3.878 4.170 0.001 0.000 0.239 489 I C 1.666 177.784 176.117 0.002 0.000 1.066 489 I CA 1.717 63.022 61.300 0.008 0.000 1.324 489 I CB -1.373 36.636 38.000 0.016 0.000 1.037 489 I HN 0.331 nan 8.210 nan 0.000 0.401 490 D N -0.200 120.204 120.400 0.006 0.000 2.339 490 D HA 0.066 4.706 4.640 0.001 0.000 0.217 490 D C 2.097 178.394 176.300 -0.006 0.000 1.050 490 D CA 0.171 54.173 54.000 0.002 0.000 0.856 490 D CB 0.353 41.159 40.800 0.009 0.000 0.922 490 D HN 0.348 nan 8.370 nan 0.000 0.518 491 M N -0.162 119.431 119.600 -0.012 0.000 2.630 491 M HA 0.024 4.505 4.480 0.001 0.000 0.254 491 M C 1.433 177.710 176.300 -0.038 0.000 1.092 491 M CA 0.933 56.213 55.300 -0.033 0.000 1.087 491 M CB 0.261 32.830 32.600 -0.052 0.000 1.453 491 M HN 0.182 nan 8.290 nan 0.000 0.509 492 G N 1.102 109.887 108.800 -0.026 0.000 2.218 492 G HA2 -0.196 3.765 3.960 0.001 0.000 0.216 492 G HA3 -0.196 3.765 3.960 0.001 0.000 0.216 492 G C 0.184 175.071 174.900 -0.022 0.000 0.994 492 G CA -0.543 44.543 45.100 -0.024 0.000 0.637 492 G HN 0.441 nan 8.290 nan 0.000 0.505 493 I N 2.473 123.027 120.570 -0.026 0.000 2.287 493 I HA 0.481 4.652 4.170 0.001 0.000 0.290 493 I C 0.292 176.400 176.117 -0.014 0.000 1.069 493 I CA -0.401 60.882 61.300 -0.027 0.000 1.237 493 I CB 0.667 38.641 38.000 -0.043 0.000 1.418 493 I HN -0.030 nan 8.210 nan 0.000 0.481 494 L N 5.274 126.492 121.223 -0.009 0.000 2.334 494 L HA 0.498 4.839 4.340 0.001 0.000 0.273 494 L C -0.705 176.164 176.870 -0.001 0.000 1.013 494 L CA -0.732 54.107 54.840 -0.002 0.000 0.816 494 L CB 1.990 44.049 42.059 -0.000 0.000 1.278 494 L HN 0.414 nan 8.230 nan 0.000 0.431 495 D N 3.048 123.449 120.400 0.002 0.000 2.329 495 D HA 0.295 4.936 4.640 0.001 0.000 0.232 495 D C -2.455 173.848 176.300 0.005 0.000 1.088 495 D CA -1.165 52.837 54.000 0.003 0.000 0.835 495 D CB 1.451 42.253 40.800 0.002 0.000 1.078 495 D HN 0.126 nan 8.370 nan 0.000 0.495 496 P HA 0.045 nan 4.420 nan 0.000 0.264 496 P C 0.691 177.995 177.300 0.006 0.000 1.229 496 P CA -0.088 63.018 63.100 0.010 0.000 0.780 496 P CB 0.877 32.587 31.700 0.017 0.000 0.808 497 T N 2.940 117.496 114.554 0.003 0.000 2.665 497 T HA -0.241 4.110 4.350 0.001 0.000 0.268 497 T C 1.641 176.335 174.700 -0.010 0.000 1.035 497 T CA 1.529 63.627 62.100 -0.004 0.000 1.151 497 T CB -0.297 68.569 68.868 -0.003 0.000 0.862 497 T HN 0.461 nan 8.240 nan 0.000 0.438 498 K N 0.866 121.264 120.400 -0.003 0.000 2.063 498 K HA -0.133 4.188 4.320 0.001 0.000 0.208 498 K C 2.397 178.992 176.600 -0.009 0.000 1.048 498 K CA 1.672 57.955 56.287 -0.005 0.000 0.928 498 K CB -0.307 32.201 32.500 0.013 0.000 0.713 498 K HN 0.389 nan 8.250 nan 0.000 0.442 499 V N -1.581 118.336 119.914 0.004 0.000 2.379 499 V HA -0.135 3.986 4.120 0.001 0.000 0.245 499 V C 1.852 177.942 176.094 -0.007 0.000 1.044 499 V CA 2.113 64.420 62.300 0.011 0.000 1.036 499 V CB -0.888 30.949 31.823 0.024 0.000 0.664 499 V HN 0.246 nan 8.190 nan 0.000 0.453 500 T N 0.177 114.723 114.554 -0.013 0.000 2.812 500 T HA -0.055 4.296 4.350 0.001 0.000 0.264 500 T C 2.112 176.783 174.700 -0.049 0.000 1.042 500 T CA 1.549 63.637 62.100 -0.021 0.000 1.140 500 T CB -0.397 68.464 68.868 -0.011 0.000 0.870 500 T HN 0.388 nan 8.240 nan 0.000 0.445 501 R N 1.416 121.880 120.500 -0.059 0.000 2.091 501 R HA -0.048 4.293 4.340 0.001 0.000 0.238 501 R C 2.436 178.631 176.300 -0.175 0.000 1.136 501 R CA 1.656 57.702 56.100 -0.090 0.000 0.959 501 R CB -0.781 29.478 30.300 -0.068 0.000 0.856 501 R HN 0.328 nan 8.270 nan 0.000 0.437 502 S N 0.649 116.227 115.700 -0.204 0.000 2.355 502 S HA -0.066 4.405 4.470 0.001 0.000 0.222 502 S C 2.097 176.422 174.600 -0.459 0.000 1.031 502 S CA 1.114 59.049 58.200 -0.441 0.000 0.993 502 S CB -0.345 62.721 63.200 -0.222 0.000 0.859 502 S HN 0.532 nan 8.310 nan 0.000 0.453 503 A N 2.218 124.959 122.820 -0.132 0.000 1.892 503 A HA -0.090 4.231 4.320 0.001 0.000 0.218 503 A C 2.108 179.668 177.584 -0.040 0.000 1.188 503 A CA 1.347 53.377 52.037 -0.012 0.000 0.631 503 A CB -0.853 18.155 19.000 0.014 0.000 0.822 503 A HN 0.435 nan 8.150 nan 0.000 0.447 504 L N -0.316 120.859 121.223 -0.079 0.000 2.046 504 L HA -0.209 4.132 4.340 0.001 0.000 0.208 504 L C 2.422 179.245 176.870 -0.079 0.000 1.077 504 L CA 2.455 57.259 54.840 -0.060 0.000 0.747 504 L CB -1.210 40.816 42.059 -0.056 0.000 0.896 504 L HN 0.555 nan 8.230 nan 0.000 0.432 505 Q N -1.311 118.384 119.800 -0.176 0.000 2.079 505 Q HA -0.214 4.126 4.340 0.001 0.000 0.200 505 Q C 2.068 178.031 176.000 -0.061 0.000 0.974 505 Q CA 1.675 57.376 55.803 -0.170 0.000 0.840 505 Q CB -0.194 28.368 28.738 -0.292 0.000 0.898 505 Q HN 0.501 nan 8.270 nan 0.000 0.430 506 Y N 0.154 120.455 120.300 0.001 0.000 2.242 506 Y HA -0.102 4.449 4.550 0.001 0.000 0.291 506 Y C 2.350 178.250 175.900 0.001 0.000 1.137 506 Y CA 0.585 58.685 58.100 -0.000 0.000 1.181 506 Y CB -1.041 37.417 38.460 -0.003 0.000 0.989 506 Y HN 0.115 nan 8.280 nan 0.000 0.527 507 A N 0.408 123.309 122.820 0.135 0.000 1.865 507 A HA -0.152 4.169 4.320 0.001 0.000 0.217 507 A C 2.550 180.167 177.584 0.055 0.000 1.191 507 A CA 2.258 54.340 52.037 0.076 0.000 0.623 507 A CB -1.285 17.742 19.000 0.046 0.000 0.826 507 A HN 0.383 nan 8.150 nan 0.000 0.444 508 A N -0.880 121.964 122.820 0.039 0.000 1.908 508 A HA -0.124 4.196 4.320 0.001 0.000 0.218 508 A C 2.507 180.116 177.584 0.041 0.000 1.181 508 A CA 2.355 54.410 52.037 0.029 0.000 0.627 508 A CB -1.001 18.006 19.000 0.012 0.000 0.818 508 A HN 0.618 nan 8.150 nan 0.000 0.445 509 S N -0.751 114.987 115.700 0.063 0.000 2.348 509 S HA -0.128 4.343 4.470 0.001 0.000 0.221 509 S C 1.940 176.573 174.600 0.055 0.000 1.033 509 S CA 1.690 59.931 58.200 0.069 0.000 1.010 509 S CB -0.571 62.696 63.200 0.112 0.000 0.891 509 S HN 0.291 nan 8.310 nan 0.000 0.442 510 V N 2.207 122.158 119.914 0.061 0.000 2.295 510 V HA -0.144 3.977 4.120 0.001 0.000 0.246 510 V C 2.896 179.009 176.094 0.031 0.000 1.049 510 V CA 1.926 64.250 62.300 0.039 0.000 1.024 510 V CB -1.360 30.485 31.823 0.037 0.000 0.648 510 V HN 0.634 nan 8.190 nan 0.000 0.447 511 A N 0.331 123.172 122.820 0.033 0.000 1.873 511 A HA -0.061 4.260 4.320 0.001 0.000 0.215 511 A C 2.406 180.004 177.584 0.024 0.000 1.186 511 A CA 1.836 53.889 52.037 0.027 0.000 0.616 511 A CB -1.258 17.757 19.000 0.026 0.000 0.823 511 A HN 0.535 nan 8.150 nan 0.000 0.442 512 G N -0.615 108.200 108.800 0.025 0.000 2.471 512 G HA2 -0.048 3.913 3.960 0.001 0.000 0.219 512 G HA3 -0.048 3.913 3.960 0.001 0.000 0.219 512 G C 1.497 176.410 174.900 0.021 0.000 1.125 512 G CA 0.963 46.076 45.100 0.022 0.000 0.775 512 G HN 0.422 nan 8.290 nan 0.000 0.548 513 L N -0.547 120.689 121.223 0.022 0.000 2.102 513 L HA 0.170 4.510 4.340 0.001 0.000 0.202 513 L C 2.804 179.685 176.870 0.017 0.000 1.076 513 L CA 0.693 55.544 54.840 0.019 0.000 0.761 513 L CB -0.329 41.741 42.059 0.018 0.000 0.921 513 L HN 0.207 nan 8.230 nan 0.000 0.444 514 M N 0.882 120.493 119.600 0.018 0.000 2.149 514 M HA -0.229 4.252 4.480 0.001 0.000 0.261 514 M C 2.297 178.610 176.300 0.020 0.000 1.064 514 M CA 1.934 57.245 55.300 0.018 0.000 1.102 514 M CB -0.209 32.403 32.600 0.019 0.000 1.369 514 M HN 0.338 nan 8.290 nan 0.000 0.408 515 I N -1.706 118.876 120.570 0.021 0.000 2.700 515 I HA -0.164 4.007 4.170 0.001 0.000 0.261 515 I C 1.974 178.104 176.117 0.023 0.000 1.219 515 I CA 1.615 62.928 61.300 0.022 0.000 1.463 515 I CB -1.384 36.628 38.000 0.020 0.000 1.092 515 I HN 0.344 nan 8.210 nan 0.000 0.452 516 T N -1.520 113.046 114.554 0.021 0.000 3.098 516 T HA -0.017 4.333 4.350 0.001 0.000 0.266 516 T C 0.953 175.668 174.700 0.025 0.000 1.145 516 T CA 0.518 62.631 62.100 0.022 0.000 1.092 516 T CB -1.276 67.603 68.868 0.019 0.000 0.908 516 T HN 0.374 nan 8.240 nan 0.000 0.526 517 T N 2.985 117.554 114.554 0.025 0.000 2.765 517 T HA 0.155 4.506 4.350 0.001 0.000 0.284 517 T C 0.730 175.452 174.700 0.038 0.000 0.946 517 T CA 0.073 62.189 62.100 0.027 0.000 1.185 517 T CB 0.862 69.747 68.868 0.028 0.000 0.887 517 T HN 0.321 nan 8.240 nan 0.000 0.532 518 E N 1.178 121.404 120.200 0.044 0.000 2.473 518 E HA 0.228 4.579 4.350 0.001 0.000 0.204 518 E C 0.014 176.657 176.600 0.072 0.000 0.994 518 E CA -0.064 56.382 56.400 0.075 0.000 0.945 518 E CB 0.457 30.212 29.700 0.093 0.000 0.990 518 E HN 0.652 nan 8.360 nan 0.000 0.493 519 C N -0.136 119.159 119.300 -0.008 0.000 3.082 519 C HA 0.692 5.153 4.460 0.001 0.000 0.324 519 C C -1.596 173.348 174.990 -0.077 0.000 1.210 519 C CA -0.735 58.201 59.018 -0.137 0.000 1.366 519 C CB 0.647 28.195 27.740 -0.321 0.000 1.756 519 C HN 0.260 nan 8.230 nan 0.000 0.485 520 M N 4.183 123.753 119.600 -0.051 0.000 2.393 520 M HA 0.666 5.147 4.480 0.001 0.000 0.299 520 M C -1.267 175.099 176.300 0.110 0.000 1.103 520 M CA -0.555 54.786 55.300 0.068 0.000 0.910 520 M CB 2.183 34.920 32.600 0.228 0.000 1.659 520 M HN 0.385 nan 8.290 nan 0.000 0.445 521 V N 0.999 120.916 119.914 0.005 0.000 2.638 521 V HA 0.838 4.959 4.120 0.001 0.000 0.306 521 V C -0.553 175.442 176.094 -0.164 0.000 1.052 521 V CA -0.485 61.793 62.300 -0.036 0.000 0.885 521 V CB 2.110 33.903 31.823 -0.049 0.000 0.999 521 V HN 0.938 nan 8.190 nan 0.000 0.424 522 T N 1.986 116.398 114.554 -0.237 0.000 2.886 522 T HA 0.369 4.720 4.350 0.001 0.000 0.330 522 T C -1.616 172.963 174.700 -0.201 0.000 1.488 522 T CA -0.537 61.382 62.100 -0.302 0.000 1.054 522 T CB 1.813 70.359 68.868 -0.538 0.000 1.348 522 T HN 0.696 nan 8.240 nan 0.000 0.489 523 D N 2.191 122.504 120.400 -0.144 0.000 2.382 523 D HA 0.360 5.001 4.640 0.001 0.000 0.245 523 D C 0.440 176.699 176.300 -0.069 0.000 1.120 523 D CA 0.071 54.023 54.000 -0.080 0.000 0.890 523 D CB 0.477 41.239 40.800 -0.064 0.000 1.201 523 D HN 0.420 nan 8.370 nan 0.000 0.433 524 L N 3.831 125.040 121.223 -0.022 0.000 2.506 524 L HA 0.070 4.411 4.340 0.001 0.000 0.281 524 L C -0.832 176.036 176.870 -0.004 0.000 1.228 524 L CA -0.971 53.873 54.840 0.006 0.000 0.850 524 L CB 0.241 42.313 42.059 0.021 0.000 1.110 524 L HN 0.481 nan 8.230 nan 0.000 0.496 525 P HA 0.056 nan 4.420 nan 0.000 0.214 525 P C 0.055 177.362 177.300 0.010 0.000 1.167 525 P CA 1.206 64.311 63.100 0.009 0.000 0.882 525 P CB 0.301 32.015 31.700 0.024 0.000 0.777 526 K N 0.000 120.411 120.400 0.018 0.000 2.780 526 K HA 0.000 4.321 4.320 0.001 0.000 0.191 526 K CA 0.000 nan 56.287 nan 0.000 0.838 526 K CB 0.000 nan 32.500 nan 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543