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 1sx4_1_K DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.579 177.584 -0.009 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 2 A CB 0.000 18.990 19.000 -0.016 0.000 0.831 3 A N 3.501 126.318 122.820 -0.005 0.000 2.450 3 A HA 0.601 4.921 4.320 -0.000 0.000 0.255 3 A C 0.423 178.005 177.584 -0.004 0.000 1.096 3 A CA 0.002 52.039 52.037 0.001 0.000 0.778 3 A CB 0.174 19.178 19.000 0.007 0.000 1.031 3 A HN 0.639 nan 8.150 nan 0.000 0.494 4 K N 1.282 121.681 120.400 -0.000 0.000 2.177 4 K HA 0.446 4.766 4.320 -0.000 0.000 0.238 4 K C -1.059 175.553 176.600 0.021 0.000 1.015 4 K CA -0.634 55.647 56.287 -0.009 0.000 0.922 4 K CB 0.985 33.474 32.500 -0.018 0.000 1.127 4 K HN 0.695 nan 8.250 nan 0.000 0.469 5 D N 0.790 121.206 120.400 0.027 0.000 2.481 5 D HA 0.295 4.935 4.640 -0.000 0.000 0.246 5 D C -1.387 175.026 176.300 0.188 0.000 1.109 5 D CA -0.603 53.466 54.000 0.115 0.000 0.845 5 D CB 1.220 42.101 40.800 0.134 0.000 1.160 5 D HN 0.092 nan 8.370 nan 0.000 0.534 6 V N 3.861 123.866 119.914 0.152 0.000 2.417 6 V HA 0.513 4.633 4.120 -0.000 0.000 0.291 6 V C 0.261 176.330 176.094 -0.041 0.000 1.024 6 V CA -0.755 61.565 62.300 0.033 0.000 0.861 6 V CB 1.613 33.400 31.823 -0.060 0.000 0.985 6 V HN 0.380 nan 8.190 nan 0.000 0.436 7 K N 2.982 123.266 120.400 -0.194 0.000 2.318 7 K HA 0.769 5.089 4.320 -0.000 0.000 0.249 7 K C -1.681 174.670 176.600 -0.415 0.000 0.942 7 K CA -0.487 55.621 56.287 -0.298 0.000 0.808 7 K CB 2.116 34.227 32.500 -0.648 0.000 1.189 7 K HN 0.510 nan 8.250 nan 0.000 0.428 8 F N 0.490 120.394 119.950 -0.076 0.000 2.563 8 F HA 0.396 4.923 4.527 -0.000 0.000 0.316 8 F C 1.176 176.948 175.800 -0.047 0.000 1.076 8 F CA 0.233 58.209 58.000 -0.040 0.000 0.921 8 F CB 2.029 41.015 39.000 -0.024 0.000 1.209 8 F HN 0.809 nan 8.300 nan 0.000 0.462 9 G N 2.371 111.291 108.800 0.199 0.000 2.690 9 G HA2 -0.493 3.467 3.960 -0.000 0.000 0.334 9 G HA3 -0.493 3.467 3.960 -0.000 0.000 0.334 9 G C 1.145 176.074 174.900 0.048 0.000 1.250 9 G CA 1.348 46.513 45.100 0.108 0.000 0.994 9 G HN 0.684 nan 8.290 nan 0.000 0.549 10 N N 1.199 119.919 118.700 0.033 0.000 2.058 10 N HA -0.043 4.697 4.740 -0.000 0.000 0.191 10 N C 1.896 177.393 175.510 -0.023 0.000 1.037 10 N CA 1.988 55.041 53.050 0.005 0.000 0.848 10 N CB -0.374 38.114 38.487 0.002 0.000 1.021 10 N HN 0.561 nan 8.380 nan 0.000 0.422 11 D N 0.518 120.898 120.400 -0.034 0.000 2.177 11 D HA -0.249 4.391 4.640 -0.000 0.000 0.189 11 D C 1.837 178.048 176.300 -0.149 0.000 1.002 11 D CA 1.701 55.642 54.000 -0.097 0.000 0.845 11 D CB -0.960 39.767 40.800 -0.120 0.000 0.960 11 D HN 0.335 nan 8.370 nan 0.000 0.447 12 A N 1.341 124.069 122.820 -0.152 0.000 1.881 12 A HA -0.320 4.000 4.320 -0.000 0.000 0.219 12 A C 2.203 179.739 177.584 -0.080 0.000 1.215 12 A CA 2.654 54.595 52.037 -0.160 0.000 0.648 12 A CB -0.784 18.164 19.000 -0.087 0.000 0.832 12 A HN 0.266 nan 8.150 nan 0.000 0.455 13 R N -1.109 119.369 120.500 -0.037 0.000 2.115 13 R HA -0.001 4.339 4.340 -0.000 0.000 0.230 13 R C 2.043 178.333 176.300 -0.016 0.000 1.111 13 R CA 1.127 57.220 56.100 -0.012 0.000 0.976 13 R CB -0.663 29.637 30.300 0.000 0.000 0.870 13 R HN 0.396 nan 8.270 nan 0.000 0.445 14 V N 1.869 121.765 119.914 -0.030 0.000 2.255 14 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 14 V C 2.254 178.334 176.094 -0.022 0.000 1.051 14 V CA 1.746 64.031 62.300 -0.025 0.000 1.018 14 V CB -0.360 31.444 31.823 -0.032 0.000 0.641 14 V HN 0.202 nan 8.190 nan 0.000 0.445 15 K N -0.608 119.764 120.400 -0.046 0.000 2.034 15 K HA -0.202 4.118 4.320 -0.000 0.000 0.214 15 K C 2.099 178.717 176.600 0.029 0.000 1.051 15 K CA 1.843 58.120 56.287 -0.016 0.000 0.931 15 K CB -0.746 31.714 32.500 -0.067 0.000 0.715 15 K HN 0.395 nan 8.250 nan 0.000 0.446 16 M N 0.054 119.671 119.600 0.027 0.000 2.149 16 M HA -0.207 4.273 4.480 -0.000 0.000 0.261 16 M C 2.122 178.439 176.300 0.029 0.000 1.064 16 M CA 1.158 56.483 55.300 0.041 0.000 1.102 16 M CB -0.267 32.354 32.600 0.035 0.000 1.369 16 M HN 0.056 nan 8.290 nan 0.000 0.408 17 L N 0.438 121.671 121.223 0.018 0.000 2.017 17 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 17 L C 2.395 179.274 176.870 0.016 0.000 1.073 17 L CA 1.917 56.765 54.840 0.014 0.000 0.745 17 L CB -0.606 41.458 42.059 0.008 0.000 0.894 17 L HN 0.183 nan 8.230 nan 0.000 0.432 18 R N -0.696 119.814 120.500 0.016 0.000 2.062 18 R HA -0.062 4.278 4.340 -0.000 0.000 0.231 18 R C 2.186 178.499 176.300 0.022 0.000 1.136 18 R CA 1.089 57.199 56.100 0.017 0.000 0.948 18 R CB -1.267 29.044 30.300 0.017 0.000 0.845 18 R HN 0.549 nan 8.270 nan 0.000 0.430 19 G N 1.530 110.349 108.800 0.030 0.000 2.764 19 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.219 19 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.219 19 G C 1.462 176.376 174.900 0.023 0.000 1.259 19 G CA 1.627 46.745 45.100 0.031 0.000 0.793 19 G HN 0.315 nan 8.290 nan 0.000 0.633 20 V N 1.326 121.253 119.914 0.022 0.000 2.278 20 V HA -0.309 3.811 4.120 -0.000 0.000 0.251 20 V C 2.312 178.415 176.094 0.014 0.000 1.062 20 V CA 3.108 65.418 62.300 0.017 0.000 1.038 20 V CB -0.956 30.878 31.823 0.018 0.000 0.646 20 V HN 0.583 nan 8.190 nan 0.000 0.447 21 N N -0.255 118.453 118.700 0.014 0.000 2.061 21 N HA -0.183 4.557 4.740 -0.000 0.000 0.193 21 N C 1.791 177.307 175.510 0.010 0.000 1.030 21 N CA 1.894 54.951 53.050 0.011 0.000 0.856 21 N CB -0.383 38.111 38.487 0.010 0.000 1.023 21 N HN 0.467 nan 8.380 nan 0.000 0.424 22 V N 1.611 121.532 119.914 0.011 0.000 2.287 22 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 22 V C 2.251 178.350 176.094 0.008 0.000 1.053 22 V CA 1.323 63.629 62.300 0.010 0.000 1.027 22 V CB -0.619 31.211 31.823 0.011 0.000 0.646 22 V HN 0.383 nan 8.190 nan 0.000 0.447 23 L N 0.001 121.228 121.223 0.008 0.000 1.965 23 L HA -0.321 4.019 4.340 -0.000 0.000 0.226 23 L C 2.632 179.505 176.870 0.005 0.000 1.083 23 L CA 2.679 57.522 54.840 0.005 0.000 0.790 23 L CB -0.842 41.220 42.059 0.005 0.000 0.898 23 L HN 0.403 nan 8.230 nan 0.000 0.439 24 A N -0.771 122.053 122.820 0.007 0.000 1.940 24 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 24 A C 1.776 179.363 177.584 0.006 0.000 1.176 24 A CA 2.067 54.108 52.037 0.007 0.000 0.631 24 A CB -0.581 18.425 19.000 0.009 0.000 0.814 24 A HN 0.589 nan 8.150 nan 0.000 0.446 25 D N -0.419 119.985 120.400 0.007 0.000 2.277 25 D HA 0.111 4.751 4.640 -0.000 0.000 0.208 25 D C 1.950 178.253 176.300 0.005 0.000 0.962 25 D CA 1.137 55.141 54.000 0.006 0.000 0.865 25 D CB -0.104 40.700 40.800 0.006 0.000 0.939 25 D HN 0.467 nan 8.370 nan 0.000 0.510 26 A N 0.205 123.028 122.820 0.005 0.000 2.030 26 A HA 0.038 4.358 4.320 -0.000 0.000 0.215 26 A C 2.144 179.729 177.584 0.003 0.000 1.164 26 A CA 0.350 52.389 52.037 0.004 0.000 0.697 26 A CB 0.032 19.034 19.000 0.003 0.000 0.827 26 A HN 0.158 nan 8.150 nan 0.000 0.457 27 V N 0.557 120.472 119.914 0.003 0.000 3.125 27 V HA -0.048 4.072 4.120 -0.000 0.000 0.249 27 V C 2.257 178.353 176.094 0.002 0.000 1.113 27 V CA 1.728 64.028 62.300 0.001 0.000 1.106 27 V CB -0.206 31.617 31.823 -0.001 0.000 0.768 27 V HN 0.755 nan 8.190 nan 0.000 0.468 28 K N 0.743 121.146 120.400 0.004 0.000 2.288 28 K HA -0.045 4.275 4.320 -0.000 0.000 0.201 28 K C 1.537 178.140 176.600 0.006 0.000 1.048 28 K CA 1.769 58.059 56.287 0.006 0.000 0.956 28 K CB -0.468 32.036 32.500 0.007 0.000 0.746 28 K HN 0.480 nan 8.250 nan 0.000 0.461 29 V N -0.062 119.855 119.914 0.005 0.000 3.444 29 V HA -0.046 4.074 4.120 -0.000 0.000 0.271 29 V C 1.574 177.670 176.094 0.005 0.000 1.188 29 V CA 1.272 63.576 62.300 0.006 0.000 1.168 29 V CB -1.003 30.823 31.823 0.005 0.000 0.810 29 V HN 0.495 nan 8.190 nan 0.000 0.500 30 T N -3.051 111.505 114.554 0.003 0.000 3.186 30 T HA 0.297 4.647 4.350 -0.000 0.000 0.257 30 T C 1.207 175.908 174.700 0.002 0.000 1.029 30 T CA 0.361 62.462 62.100 0.002 0.000 0.916 30 T CB 0.613 69.481 68.868 0.000 0.000 1.041 30 T HN 0.343 nan 8.240 nan 0.000 0.562 31 L N 2.324 123.550 121.223 0.004 0.000 2.049 31 L HA 0.469 4.809 4.340 -0.000 0.000 0.203 31 L C 1.564 178.436 176.870 0.003 0.000 1.074 31 L CA 1.167 56.010 54.840 0.004 0.000 0.749 31 L CB -1.249 40.815 42.059 0.007 0.000 0.907 31 L HN 0.368 nan 8.230 nan 0.000 0.439 32 G N -0.240 108.564 108.800 0.006 0.000 2.714 32 G HA2 0.003 3.963 3.960 -0.000 0.000 0.278 32 G HA3 0.003 3.963 3.960 -0.000 0.000 0.278 32 G C -1.547 173.348 174.900 -0.008 0.000 1.288 32 G CA 0.177 45.279 45.100 0.003 0.000 1.027 32 G HN 0.421 nan 8.290 nan 0.000 0.607 33 P HA 0.041 nan 4.420 nan 0.000 0.234 33 P C 0.404 177.693 177.300 -0.019 0.000 1.167 33 P CA 1.059 64.144 63.100 -0.024 0.000 0.763 33 P CB 0.365 32.040 31.700 -0.042 0.000 0.835 34 K N 0.470 120.863 120.400 -0.012 0.000 3.237 34 K HA 0.330 4.650 4.320 -0.000 0.000 0.197 34 K C 0.682 177.282 176.600 -0.000 0.000 1.133 34 K CA -0.397 55.886 56.287 -0.007 0.000 0.944 34 K CB 0.929 33.425 32.500 -0.006 0.000 0.952 34 K HN -0.005 nan 8.250 nan 0.000 0.515 35 G N 0.807 109.606 108.800 -0.001 0.000 2.634 35 G HA2 0.188 4.148 3.960 -0.000 0.000 0.255 35 G HA3 0.188 4.148 3.960 -0.000 0.000 0.255 35 G C 0.103 175.004 174.900 0.001 0.000 1.205 35 G CA -0.489 44.611 45.100 0.001 0.000 0.884 35 G HN 0.163 nan 8.290 nan 0.000 0.549 36 R N -0.190 120.312 120.500 0.003 0.000 2.608 36 R HA 0.310 4.650 4.340 -0.000 0.000 0.255 36 R C -0.027 176.274 176.300 0.002 0.000 1.086 36 R CA -0.837 55.265 56.100 0.003 0.000 1.125 36 R CB 0.313 30.615 30.300 0.004 0.000 1.193 36 R HN 0.557 nan 8.270 nan 0.000 0.553 37 N N -0.022 118.679 118.700 0.002 0.000 2.509 37 N HA 0.267 5.007 4.740 -0.000 0.000 0.287 37 N C -0.697 174.814 175.510 0.002 0.000 1.121 37 N CA -0.369 52.682 53.050 0.002 0.000 0.977 37 N CB 1.834 40.322 38.487 0.002 0.000 1.167 37 N HN 0.075 nan 8.380 nan 0.000 0.476 38 V N 1.720 121.635 119.914 0.002 0.000 2.555 38 V HA 0.317 4.437 4.120 -0.000 0.000 0.302 38 V C 0.069 176.165 176.094 0.003 0.000 1.038 38 V CA -0.817 61.485 62.300 0.003 0.000 0.887 38 V CB 2.131 33.955 31.823 0.003 0.000 0.991 38 V HN 0.307 nan 8.190 nan 0.000 0.434 39 V N 5.918 125.834 119.914 0.003 0.000 2.394 39 V HA 0.448 4.568 4.120 -0.000 0.000 0.282 39 V C -0.592 175.504 176.094 0.004 0.000 1.031 39 V CA -0.523 61.779 62.300 0.004 0.000 0.881 39 V CB 1.510 33.334 31.823 0.003 0.000 0.982 39 V HN 0.511 nan 8.190 nan 0.000 0.451 40 L N 4.314 125.541 121.223 0.006 0.000 2.345 40 L HA 0.486 4.826 4.340 -0.000 0.000 0.274 40 L C -0.088 176.788 176.870 0.010 0.000 0.999 40 L CA -0.360 54.485 54.840 0.008 0.000 0.849 40 L CB 1.066 43.131 42.059 0.009 0.000 1.220 40 L HN 0.589 nan 8.230 nan 0.000 0.422 41 D N 3.340 123.745 120.400 0.008 0.000 2.423 41 D HA 0.144 4.784 4.640 -0.000 0.000 0.238 41 D C -0.164 176.146 176.300 0.017 0.000 1.142 41 D CA 0.502 54.507 54.000 0.008 0.000 0.884 41 D CB 0.818 41.618 40.800 0.000 0.000 1.199 41 D HN 0.273 nan 8.370 nan 0.000 0.438 42 K N 2.274 122.690 120.400 0.025 0.000 2.565 42 K HA 0.182 4.502 4.320 -0.000 0.000 0.249 42 K C 0.643 177.283 176.600 0.066 0.000 0.958 42 K CA -0.524 55.792 56.287 0.049 0.000 0.806 42 K CB 1.372 33.904 32.500 0.053 0.000 1.194 42 K HN 0.380 nan 8.250 nan 0.000 0.434 43 S N 2.976 118.730 115.700 0.090 0.000 2.452 43 S HA -0.179 4.291 4.470 -0.000 0.000 0.253 43 S C 0.462 175.069 174.600 0.011 0.000 1.061 43 S CA 1.634 59.865 58.200 0.051 0.000 1.273 43 S CB -0.313 63.004 63.200 0.194 0.000 1.191 43 S HN 0.481 nan 8.310 nan 0.000 0.430 44 F N 0.725 120.674 119.950 -0.001 0.000 2.377 44 F HA 0.592 5.119 4.527 -0.000 0.000 0.328 44 F C 1.187 176.987 175.800 -0.001 0.000 1.094 44 F CA -0.136 57.863 58.000 -0.002 0.000 1.093 44 F CB 0.159 39.158 39.000 -0.002 0.000 1.214 44 F HN 0.582 nan 8.300 nan 0.000 0.518 45 G N 0.379 109.274 108.800 0.158 0.000 2.681 45 G HA2 0.237 4.197 3.960 -0.000 0.000 0.220 45 G HA3 0.237 4.197 3.960 -0.000 0.000 0.220 45 G C -0.842 174.090 174.900 0.053 0.000 1.353 45 G CA -0.665 44.490 45.100 0.092 0.000 0.872 45 G HN 1.165 nan 8.290 nan 0.000 0.557 46 A N 1.052 123.896 122.820 0.040 0.000 2.302 46 A HA 0.830 5.150 4.320 -0.000 0.000 0.285 46 A C -0.819 176.780 177.584 0.024 0.000 1.105 46 A CA -0.187 51.865 52.037 0.025 0.000 0.816 46 A CB 0.117 19.129 19.000 0.020 0.000 1.067 46 A HN 0.943 nan 8.150 nan 0.000 0.489 47 P HA 0.211 nan 4.420 nan 0.000 0.272 47 P C -0.334 176.975 177.300 0.015 0.000 1.254 47 P CA 0.012 63.121 63.100 0.015 0.000 0.795 47 P CB 0.300 32.005 31.700 0.008 0.000 1.022 48 T N 0.946 115.509 114.554 0.014 0.000 2.771 48 T HA 0.500 4.850 4.350 -0.000 0.000 0.281 48 T C 0.152 174.857 174.700 0.009 0.000 0.982 48 T CA -0.363 61.744 62.100 0.012 0.000 0.978 48 T CB -0.032 68.844 68.868 0.014 0.000 0.930 48 T HN 0.162 nan 8.240 nan 0.000 0.447 49 I N 2.994 123.569 120.570 0.007 0.000 2.359 49 I HA 0.565 4.735 4.170 -0.000 0.000 0.294 49 I C 0.487 176.607 176.117 0.004 0.000 0.987 49 I CA -0.540 60.763 61.300 0.005 0.000 1.225 49 I CB 1.676 39.678 38.000 0.004 0.000 1.366 49 I HN 0.467 nan 8.210 nan 0.000 0.466 50 T N 4.401 118.957 114.554 0.004 0.000 2.889 50 T HA 0.332 4.682 4.350 -0.000 0.000 0.315 50 T C -0.288 174.413 174.700 0.002 0.000 1.291 50 T CA -0.591 61.511 62.100 0.003 0.000 1.028 50 T CB 1.818 70.688 68.868 0.004 0.000 1.235 50 T HN 0.707 nan 8.240 nan 0.000 0.491 51 K N 1.451 121.851 120.400 0.001 0.000 2.506 51 K HA 0.203 4.523 4.320 -0.000 0.000 0.204 51 K C -0.775 175.824 176.600 -0.001 0.000 1.045 51 K CA -0.228 56.059 56.287 -0.000 0.000 1.074 51 K CB 0.510 33.009 32.500 -0.001 0.000 0.842 51 K HN 0.437 nan 8.250 nan 0.000 0.514 52 D N -0.113 120.287 120.400 -0.001 0.000 2.460 52 D HA 0.130 4.770 4.640 -0.000 0.000 0.232 52 D C 1.054 177.352 176.300 -0.003 0.000 1.079 52 D CA -0.411 53.587 54.000 -0.002 0.000 0.864 52 D CB 1.282 42.081 40.800 -0.001 0.000 1.048 52 D HN 0.198 nan 8.370 nan 0.000 0.523 53 G N 2.277 111.074 108.800 -0.005 0.000 2.516 53 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.221 53 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.221 53 G C 1.384 176.279 174.900 -0.009 0.000 1.107 53 G CA 0.675 45.772 45.100 -0.006 0.000 0.747 53 G HN 0.466 nan 8.290 nan 0.000 0.567 54 V N 0.580 120.488 119.914 -0.011 0.000 2.346 54 V HA -0.133 3.987 4.120 -0.000 0.000 0.244 54 V C 3.040 179.128 176.094 -0.009 0.000 1.037 54 V CA 2.057 64.349 62.300 -0.014 0.000 1.029 54 V CB -0.343 31.470 31.823 -0.017 0.000 0.663 54 V HN 0.372 nan 8.190 nan 0.000 0.454 55 S N 0.036 115.733 115.700 -0.005 0.000 2.359 55 S HA -0.203 4.267 4.470 -0.000 0.000 0.224 55 S C 2.011 176.610 174.600 -0.001 0.000 1.035 55 S CA 1.716 59.916 58.200 -0.001 0.000 1.018 55 S CB -0.316 62.885 63.200 0.001 0.000 0.876 55 S HN 0.359 nan 8.310 nan 0.000 0.448 56 V N 2.245 122.158 119.914 -0.001 0.000 2.220 56 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 56 V C 2.699 178.792 176.094 -0.002 0.000 1.049 56 V CA 1.849 64.149 62.300 -0.001 0.000 1.003 56 V CB -1.452 30.371 31.823 -0.000 0.000 0.634 56 V HN 0.559 nan 8.190 nan 0.000 0.444 57 A N 0.286 123.103 122.820 -0.005 0.000 1.929 57 A HA -0.398 3.922 4.320 -0.000 0.000 0.221 57 A C 2.370 179.950 177.584 -0.007 0.000 1.211 57 A CA 2.947 54.980 52.037 -0.007 0.000 0.657 57 A CB -0.797 18.195 19.000 -0.013 0.000 0.827 57 A HN 0.577 nan 8.150 nan 0.000 0.462 58 R N -0.873 119.623 120.500 -0.007 0.000 2.117 58 R HA -0.199 4.141 4.340 -0.000 0.000 0.243 58 R C 1.765 178.063 176.300 -0.003 0.000 1.143 58 R CA 1.943 58.040 56.100 -0.006 0.000 0.968 58 R CB -0.219 30.078 30.300 -0.004 0.000 0.863 58 R HN 0.431 nan 8.270 nan 0.000 0.444 59 E N 0.047 120.247 120.200 -0.000 0.000 2.371 59 E HA 0.063 4.413 4.350 -0.000 0.000 0.194 59 E C -0.125 176.476 176.600 0.001 0.000 1.012 59 E CA 0.181 56.582 56.400 0.002 0.000 0.860 59 E CB 0.176 29.878 29.700 0.004 0.000 0.811 59 E HN 0.227 nan 8.360 nan 0.000 0.502 60 I N 2.087 122.657 120.570 -0.001 0.000 2.517 60 I HA 0.114 4.284 4.170 -0.000 0.000 0.285 60 I C 0.240 176.357 176.117 -0.001 0.000 1.106 60 I CA 0.306 61.606 61.300 0.000 0.000 1.402 60 I CB 0.025 38.025 38.000 0.000 0.000 1.399 60 I HN 0.050 nan 8.210 nan 0.000 0.535 61 E N 7.614 127.814 120.200 0.000 0.000 2.307 61 E HA 0.480 4.830 4.350 -0.000 0.000 0.280 61 E C -1.850 174.750 176.600 0.001 0.000 0.900 61 E CA -0.591 55.808 56.400 -0.001 0.000 0.790 61 E CB 1.544 31.242 29.700 -0.004 0.000 1.261 61 E HN 0.444 nan 8.360 nan 0.000 0.405 62 L N 3.157 124.382 121.223 0.003 0.000 2.365 62 L HA 0.434 4.774 4.340 -0.000 0.000 0.267 62 L C 1.540 178.414 176.870 0.006 0.000 1.033 62 L CA -0.576 54.269 54.840 0.008 0.000 0.802 62 L CB 1.143 43.212 42.059 0.016 0.000 1.267 62 L HN 0.726 nan 8.230 nan 0.000 0.457 63 E N -0.022 120.184 120.200 0.011 0.000 2.051 63 E HA -0.131 4.219 4.350 -0.000 0.000 0.189 63 E C 0.339 176.946 176.600 0.013 0.000 0.979 63 E CA 0.276 56.681 56.400 0.008 0.000 0.803 63 E CB 0.296 30.003 29.700 0.011 0.000 0.761 63 E HN 0.623 nan 8.360 nan 0.000 0.451 64 D N 1.656 122.076 120.400 0.033 0.000 2.382 64 D HA -0.027 4.613 4.640 -0.000 0.000 0.259 64 D C -0.391 175.938 176.300 0.048 0.000 1.224 64 D CA 0.114 54.153 54.000 0.065 0.000 0.894 64 D CB 0.632 41.488 40.800 0.093 0.000 1.127 64 D HN 0.079 nan 8.370 nan 0.000 0.487 65 K N 2.905 123.299 120.400 -0.011 0.000 2.188 65 K HA 0.093 4.413 4.320 -0.000 0.000 0.246 65 K C 0.698 177.279 176.600 -0.032 0.000 1.026 65 K CA -0.501 55.714 56.287 -0.120 0.000 0.871 65 K CB 0.665 32.989 32.500 -0.293 0.000 1.042 65 K HN 0.402 nan 8.250 nan 0.000 0.509 66 F N -1.162 118.777 119.950 -0.018 0.000 2.525 66 F HA -0.367 4.160 4.527 -0.000 0.000 0.755 66 F C 2.017 177.808 175.800 -0.014 0.000 0.485 66 F CA 1.762 59.750 58.000 -0.020 0.000 0.762 66 F CB -1.458 37.530 39.000 -0.020 0.000 1.609 66 F HN 0.768 nan 8.300 nan 0.000 0.279 67 E N 0.209 120.546 120.200 0.227 0.000 2.108 67 E HA -0.342 4.008 4.350 -0.000 0.000 0.203 67 E C 1.633 178.275 176.600 0.070 0.000 1.022 67 E CA 2.032 58.498 56.400 0.110 0.000 0.823 67 E CB -0.388 29.365 29.700 0.088 0.000 0.744 67 E HN 0.489 nan 8.360 nan 0.000 0.456 68 N N -0.176 118.556 118.700 0.052 0.000 2.120 68 N HA -0.154 4.586 4.740 -0.000 0.000 0.188 68 N C 1.780 177.298 175.510 0.014 0.000 1.024 68 N CA 1.483 54.544 53.050 0.018 0.000 0.852 68 N CB -0.016 38.468 38.487 -0.006 0.000 1.003 68 N HN 0.114 nan 8.380 nan 0.000 0.424 69 M N -0.584 119.025 119.600 0.015 0.000 2.149 69 M HA -0.063 4.417 4.480 -0.000 0.000 0.261 69 M C 2.206 178.522 176.300 0.028 0.000 1.064 69 M CA 1.524 56.830 55.300 0.010 0.000 1.102 69 M CB -0.684 31.924 32.600 0.012 0.000 1.369 69 M HN 0.328 nan 8.290 nan 0.000 0.408 70 G N 0.401 109.229 108.800 0.047 0.000 2.514 70 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 70 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 70 G C 1.625 176.540 174.900 0.024 0.000 1.198 70 G CA 1.301 46.424 45.100 0.039 0.000 0.780 70 G HN 0.552 nan 8.290 nan 0.000 0.565 71 A N -0.467 122.365 122.820 0.020 0.000 1.873 71 A HA -0.013 4.307 4.320 -0.000 0.000 0.215 71 A C 2.418 180.006 177.584 0.005 0.000 1.186 71 A CA 1.942 53.986 52.037 0.012 0.000 0.616 71 A CB -0.386 18.620 19.000 0.010 0.000 0.823 71 A HN 0.305 nan 8.150 nan 0.000 0.442 72 Q N -0.454 119.347 119.800 0.002 0.000 2.135 72 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 72 Q C 2.092 178.089 176.000 -0.004 0.000 0.981 72 Q CA 1.742 57.542 55.803 -0.005 0.000 0.856 72 Q CB -0.572 28.160 28.738 -0.010 0.000 0.902 72 Q HN 0.788 nan 8.270 nan 0.000 0.425 73 M N -0.557 119.045 119.600 0.003 0.000 2.117 73 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 73 M C 2.245 178.549 176.300 0.007 0.000 1.065 73 M CA 1.127 56.432 55.300 0.008 0.000 1.114 73 M CB -0.286 32.324 32.600 0.017 0.000 1.361 73 M HN -0.040 nan 8.290 nan 0.000 0.408 74 V N 0.279 120.197 119.914 0.008 0.000 2.323 74 V HA -0.242 3.878 4.120 -0.000 0.000 0.244 74 V C 2.178 178.266 176.094 -0.010 0.000 1.041 74 V CA 1.715 64.019 62.300 0.007 0.000 1.025 74 V CB -0.682 31.147 31.823 0.011 0.000 0.656 74 V HN 0.415 nan 8.190 nan 0.000 0.451 75 K N -0.122 120.270 120.400 -0.014 0.000 2.089 75 K HA -0.295 4.025 4.320 -0.000 0.000 0.210 75 K C 2.257 178.831 176.600 -0.043 0.000 1.048 75 K CA 2.122 58.393 56.287 -0.026 0.000 0.926 75 K CB -0.239 32.249 32.500 -0.021 0.000 0.714 75 K HN 0.517 nan 8.250 nan 0.000 0.448 76 E N 0.388 120.567 120.200 -0.035 0.000 2.077 76 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 76 E C 1.963 178.511 176.600 -0.088 0.000 0.989 76 E CA 1.111 57.482 56.400 -0.047 0.000 0.800 76 E CB 0.153 29.837 29.700 -0.026 0.000 0.746 76 E HN 0.105 nan 8.360 nan 0.000 0.452 77 V N 0.237 120.105 119.914 -0.077 0.000 2.599 77 V HA -0.033 4.087 4.120 -0.000 0.000 0.245 77 V C 2.128 178.061 176.094 -0.268 0.000 1.046 77 V CA 1.424 63.649 62.300 -0.126 0.000 1.065 77 V CB 0.114 31.959 31.823 0.037 0.000 0.703 77 V HN 0.381 nan 8.190 nan 0.000 0.464 78 A N -0.637 122.099 122.820 -0.140 0.000 1.969 78 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 78 A C 2.536 180.012 177.584 -0.179 0.000 1.169 78 A CA 2.034 53.992 52.037 -0.132 0.000 0.635 78 A CB -0.731 18.234 19.000 -0.058 0.000 0.810 78 A HN 0.611 nan 8.150 nan 0.000 0.445 79 S N 0.164 115.766 115.700 -0.162 0.000 2.368 79 S HA -0.188 4.282 4.470 -0.000 0.000 0.224 79 S C 1.936 176.405 174.600 -0.218 0.000 1.029 79 S CA 1.577 59.686 58.200 -0.152 0.000 0.988 79 S CB -0.390 62.749 63.200 -0.102 0.000 0.838 79 S HN 0.609 nan 8.310 nan 0.000 0.462 80 K N 1.330 121.534 120.400 -0.328 0.000 2.152 80 K HA -0.037 4.283 4.320 -0.000 0.000 0.206 80 K C 2.483 178.748 176.600 -0.557 0.000 1.048 80 K CA 1.139 57.164 56.287 -0.435 0.000 0.933 80 K CB -0.589 31.567 32.500 -0.574 0.000 0.721 80 K HN 0.496 nan 8.250 nan 0.000 0.447 81 A N 2.706 125.099 122.820 -0.711 0.000 1.859 81 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 81 A C 2.139 179.637 177.584 -0.143 0.000 1.198 81 A CA 1.946 53.791 52.037 -0.320 0.000 0.629 81 A CB -0.854 18.065 19.000 -0.136 0.000 0.830 81 A HN 0.362 nan 8.150 nan 0.000 0.446 82 N N -0.006 118.599 118.700 -0.158 0.000 2.104 82 N HA -0.205 4.535 4.740 -0.000 0.000 0.190 82 N C 1.172 176.600 175.510 -0.137 0.000 1.024 82 N CA 1.868 54.838 53.050 -0.133 0.000 0.853 82 N CB -0.420 37.992 38.487 -0.125 0.000 1.008 82 N HN 0.411 nan 8.380 nan 0.000 0.424 83 D N 0.367 120.687 120.400 -0.132 0.000 2.133 83 D HA -0.112 4.528 4.640 -0.000 0.000 0.195 83 D C 1.504 177.775 176.300 -0.049 0.000 0.997 83 D CA 1.418 55.366 54.000 -0.088 0.000 0.840 83 D CB -0.279 40.473 40.800 -0.080 0.000 0.947 83 D HN 0.435 nan 8.370 nan 0.000 0.452 84 A N -0.538 122.269 122.820 -0.022 0.000 2.178 84 A HA 0.415 4.735 4.320 -0.000 0.000 0.211 84 A C 1.840 179.440 177.584 0.027 0.000 1.157 84 A CA 1.260 53.320 52.037 0.038 0.000 0.780 84 A CB 0.307 19.380 19.000 0.122 0.000 0.828 84 A HN 0.219 nan 8.150 nan 0.000 0.476 85 A N -2.887 119.923 122.820 -0.016 0.000 2.048 85 A HA 0.488 4.808 4.320 -0.000 0.000 0.197 85 A C 1.568 179.103 177.584 -0.081 0.000 1.486 85 A CA 1.076 53.103 52.037 -0.018 0.000 1.029 85 A CB 0.022 19.027 19.000 0.009 0.000 1.101 85 A HN 1.716 nan 8.150 nan 0.000 0.470 86 G N -1.133 107.548 108.800 -0.198 0.000 2.168 86 G HA2 0.021 3.981 3.960 -0.000 0.000 0.197 86 G HA3 0.021 3.981 3.960 -0.000 0.000 0.197 86 G C -0.369 174.394 174.900 -0.229 0.000 0.997 86 G CA 0.390 45.254 45.100 -0.393 0.000 0.658 86 G HN 0.822 nan 8.290 nan 0.000 0.513 87 D N -2.777 117.542 120.400 -0.135 0.000 2.926 87 D HA 0.557 5.197 4.640 -0.000 0.000 0.272 87 D C 0.913 177.182 176.300 -0.051 0.000 1.172 87 D CA 1.461 55.415 54.000 -0.077 0.000 0.731 87 D CB 0.414 41.186 40.800 -0.047 0.000 1.282 87 D HN 1.392 nan 8.370 nan 0.000 0.430 88 G N -0.163 108.616 108.800 -0.035 0.000 2.238 88 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.217 88 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.217 88 G C 1.200 176.087 174.900 -0.022 0.000 0.996 88 G CA 1.211 46.301 45.100 -0.016 0.000 0.632 88 G HN 0.779 nan 8.290 nan 0.000 0.503 89 T N 1.040 115.568 114.554 -0.044 0.000 2.582 89 T HA -0.367 3.983 4.350 -0.000 0.000 0.246 89 T C 2.263 176.947 174.700 -0.028 0.000 1.236 89 T CA 3.182 65.254 62.100 -0.048 0.000 1.125 89 T CB -1.339 67.499 68.868 -0.050 0.000 0.837 89 T HN 0.663 nan 8.240 nan 0.000 0.458 90 T N 1.320 115.862 114.554 -0.019 0.000 2.777 90 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 90 T C 2.335 177.034 174.700 -0.001 0.000 1.040 90 T CA 1.637 63.731 62.100 -0.009 0.000 1.141 90 T CB -0.765 68.099 68.868 -0.007 0.000 0.868 90 T HN 0.498 nan 8.240 nan 0.000 0.444 91 T N 2.127 116.682 114.554 0.001 0.000 2.708 91 T HA -0.031 4.319 4.350 -0.000 0.000 0.266 91 T C 2.453 177.163 174.700 0.016 0.000 1.037 91 T CA 1.194 63.300 62.100 0.010 0.000 1.146 91 T CB -0.645 68.231 68.868 0.013 0.000 0.865 91 T HN 0.433 nan 8.240 nan 0.000 0.435 92 A N 1.363 124.193 122.820 0.017 0.000 1.892 92 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 92 A C 2.556 180.154 177.584 0.024 0.000 1.188 92 A CA 2.450 54.505 52.037 0.030 0.000 0.631 92 A CB -1.430 17.583 19.000 0.021 0.000 0.822 92 A HN 0.495 nan 8.150 nan 0.000 0.447 93 T N -0.372 114.187 114.554 0.009 0.000 2.708 93 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 93 T C 1.877 176.585 174.700 0.013 0.000 1.037 93 T CA 1.622 63.727 62.100 0.008 0.000 1.146 93 T CB -0.521 68.347 68.868 -0.000 0.000 0.865 93 T HN 0.173 nan 8.240 nan 0.000 0.435 94 V N 1.362 121.283 119.914 0.012 0.000 2.392 94 V HA -0.132 3.988 4.120 -0.000 0.000 0.249 94 V C 2.429 178.533 176.094 0.017 0.000 1.059 94 V CA 1.498 63.806 62.300 0.014 0.000 1.051 94 V CB -0.654 31.177 31.823 0.013 0.000 0.658 94 V HN 0.416 nan 8.190 nan 0.000 0.455 95 L N -0.220 121.016 121.223 0.021 0.000 2.109 95 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 95 L C 2.694 179.579 176.870 0.025 0.000 1.086 95 L CA 1.284 56.138 54.840 0.024 0.000 0.760 95 L CB -0.714 41.363 42.059 0.029 0.000 0.910 95 L HN 0.321 nan 8.230 nan 0.000 0.437 96 A N -0.454 122.382 122.820 0.028 0.000 1.908 96 A HA -0.298 4.022 4.320 -0.000 0.000 0.218 96 A C 2.263 179.861 177.584 0.022 0.000 1.181 96 A CA 1.939 53.993 52.037 0.029 0.000 0.627 96 A CB -0.612 18.406 19.000 0.031 0.000 0.818 96 A HN 0.487 nan 8.150 nan 0.000 0.445 97 Q N -0.513 119.298 119.800 0.018 0.000 2.030 97 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 97 Q C 2.238 178.247 176.000 0.015 0.000 0.986 97 Q CA 1.892 57.705 55.803 0.015 0.000 0.843 97 Q CB -0.393 28.353 28.738 0.013 0.000 0.904 97 Q HN 0.599 nan 8.270 nan 0.000 0.420 98 A N 0.535 123.364 122.820 0.015 0.000 1.917 98 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 98 A C 1.948 179.540 177.584 0.013 0.000 1.182 98 A CA 1.752 53.798 52.037 0.014 0.000 0.633 98 A CB -0.667 18.342 19.000 0.015 0.000 0.819 98 A HN 0.491 nan 8.150 nan 0.000 0.448 99 I N -0.466 120.113 120.570 0.016 0.000 2.235 99 I HA -0.168 4.002 4.170 -0.000 0.000 0.241 99 I C 2.285 178.411 176.117 0.014 0.000 1.085 99 I CA 1.097 62.406 61.300 0.015 0.000 1.378 99 I CB -0.398 37.612 38.000 0.016 0.000 1.076 99 I HN 0.259 nan 8.210 nan 0.000 0.415 100 I N 0.534 121.114 120.570 0.016 0.000 2.151 100 I HA -0.319 3.851 4.170 -0.000 0.000 0.243 100 I C 2.592 178.717 176.117 0.012 0.000 1.080 100 I CA 1.683 62.992 61.300 0.015 0.000 1.339 100 I CB -0.964 37.047 38.000 0.017 0.000 1.039 100 I HN 0.282 nan 8.210 nan 0.000 0.409 101 T N 0.270 114.831 114.554 0.012 0.000 2.635 101 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 101 T C 1.878 176.583 174.700 0.008 0.000 1.040 101 T CA 1.541 63.646 62.100 0.009 0.000 1.156 101 T CB -0.172 68.701 68.868 0.009 0.000 0.863 101 T HN 0.320 nan 8.240 nan 0.000 0.430 102 E N 0.309 120.514 120.200 0.008 0.000 2.076 102 E HA 0.051 4.401 4.350 -0.000 0.000 0.190 102 E C 2.593 179.197 176.600 0.007 0.000 0.979 102 E CA 0.872 57.276 56.400 0.007 0.000 0.807 102 E CB -0.742 28.962 29.700 0.007 0.000 0.761 102 E HN 0.542 nan 8.360 nan 0.000 0.454 103 G N 0.930 109.735 108.800 0.008 0.000 2.432 103 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.219 103 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.219 103 G C 1.488 176.393 174.900 0.008 0.000 1.135 103 G CA 0.330 45.435 45.100 0.008 0.000 0.767 103 G HN 0.149 nan 8.290 nan 0.000 0.550 104 L N -0.104 121.124 121.223 0.008 0.000 2.270 104 L HA 0.311 4.651 4.340 -0.000 0.000 0.210 104 L C 2.570 179.443 176.870 0.006 0.000 1.104 104 L CA 1.117 55.962 54.840 0.008 0.000 0.804 104 L CB -0.303 41.761 42.059 0.008 0.000 0.937 104 L HN 0.115 nan 8.230 nan 0.000 0.450 105 K N -0.939 119.464 120.400 0.005 0.000 2.062 105 K HA -0.041 4.279 4.320 -0.000 0.000 0.205 105 K C 2.135 178.737 176.600 0.004 0.000 1.051 105 K CA 1.150 57.439 56.287 0.004 0.000 0.941 105 K CB -0.207 32.295 32.500 0.004 0.000 0.719 105 K HN 0.302 nan 8.250 nan 0.000 0.440 106 A N 1.180 124.002 122.820 0.004 0.000 1.883 106 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 106 A C 2.351 179.937 177.584 0.004 0.000 1.186 106 A CA 2.080 54.120 52.037 0.004 0.000 0.624 106 A CB -1.059 17.944 19.000 0.005 0.000 0.822 106 A HN 0.245 nan 8.150 nan 0.000 0.444 107 V N -1.932 117.985 119.914 0.005 0.000 2.407 107 V HA -0.030 4.090 4.120 -0.000 0.000 0.248 107 V C 2.385 178.482 176.094 0.005 0.000 1.055 107 V CA 2.251 64.555 62.300 0.006 0.000 1.049 107 V CB -1.047 30.781 31.823 0.009 0.000 0.662 107 V HN 0.584 nan 8.190 nan 0.000 0.455 108 A N -0.099 122.723 122.820 0.004 0.000 2.167 108 A HA 0.448 4.768 4.320 -0.000 0.000 0.214 108 A C 2.301 179.886 177.584 0.001 0.000 1.151 108 A CA 1.350 53.388 52.037 0.002 0.000 0.735 108 A CB -0.670 18.331 19.000 0.001 0.000 0.802 108 A HN 1.042 nan 8.150 nan 0.000 0.467 109 A N -1.639 121.182 122.820 0.002 0.000 2.178 109 A HA 0.425 4.745 4.320 -0.000 0.000 0.211 109 A C 1.625 179.209 177.584 0.001 0.000 1.157 109 A CA 1.166 53.203 52.037 0.001 0.000 0.780 109 A CB -0.526 18.475 19.000 0.001 0.000 0.828 109 A HN 1.763 nan 8.150 nan 0.000 0.476 110 G N -1.402 107.399 108.800 0.001 0.000 2.145 110 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.176 110 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.176 110 G C 0.013 174.914 174.900 0.002 0.000 1.013 110 G CA 0.172 45.272 45.100 0.001 0.000 0.689 110 G HN 0.332 nan 8.290 nan 0.000 0.506 111 M N 0.046 119.648 119.600 0.003 0.000 2.369 111 M HA 0.368 4.848 4.480 -0.000 0.000 0.291 111 M C 0.686 176.989 176.300 0.004 0.000 1.178 111 M CA -0.839 54.463 55.300 0.003 0.000 0.996 111 M CB 0.568 33.170 32.600 0.003 0.000 1.472 111 M HN 0.099 nan 8.290 nan 0.000 0.496 112 N N 1.588 120.291 118.700 0.004 0.000 2.401 112 N HA 0.140 4.880 4.740 -0.000 0.000 0.255 112 N C -2.127 173.387 175.510 0.006 0.000 1.110 112 N CA -1.390 51.663 53.050 0.005 0.000 0.949 112 N CB 1.053 39.543 38.487 0.004 0.000 1.110 112 N HN 0.247 nan 8.380 nan 0.000 0.490 113 P HA -0.165 nan 4.420 nan 0.000 0.216 113 P C 1.351 178.656 177.300 0.009 0.000 1.154 113 P CA 1.341 64.447 63.100 0.010 0.000 0.865 113 P CB 0.267 31.974 31.700 0.013 0.000 0.789 114 M N -1.111 118.494 119.600 0.008 0.000 2.200 114 M HA -0.081 4.399 4.480 -0.000 0.000 0.265 114 M C 1.412 177.715 176.300 0.005 0.000 1.066 114 M CA 1.609 56.913 55.300 0.007 0.000 1.127 114 M CB -0.752 31.852 32.600 0.007 0.000 1.379 114 M HN -0.216 nan 8.290 nan 0.000 0.420 115 D N -0.321 120.082 120.400 0.005 0.000 2.149 115 D HA -0.086 4.554 4.640 -0.000 0.000 0.201 115 D C 2.029 178.331 176.300 0.004 0.000 0.972 115 D CA 1.215 55.218 54.000 0.004 0.000 0.835 115 D CB -0.156 40.646 40.800 0.003 0.000 0.966 115 D HN 0.354 nan 8.370 nan 0.000 0.476 116 L N 0.749 121.975 121.223 0.005 0.000 2.056 116 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 116 L C 2.559 179.432 176.870 0.005 0.000 1.078 116 L CA 0.985 55.828 54.840 0.005 0.000 0.749 116 L CB -0.339 41.724 42.059 0.006 0.000 0.901 116 L HN -0.032 nan 8.230 nan 0.000 0.433 117 K N 0.511 120.915 120.400 0.006 0.000 2.032 117 K HA -0.259 4.061 4.320 -0.000 0.000 0.209 117 K C 2.283 178.884 176.600 0.002 0.000 1.048 117 K CA 1.545 57.835 56.287 0.005 0.000 0.927 117 K CB -0.025 32.478 32.500 0.005 0.000 0.712 117 K HN 0.031 nan 8.250 nan 0.000 0.441 118 R N -0.177 120.324 120.500 0.002 0.000 2.122 118 R HA -0.181 4.159 4.340 -0.000 0.000 0.236 118 R C 2.312 178.612 176.300 0.000 0.000 1.129 118 R CA 2.248 58.348 56.100 0.000 0.000 0.925 118 R CB -1.015 29.286 30.300 0.001 0.000 0.850 118 R HN 0.458 nan 8.270 nan 0.000 0.431 119 G N 0.711 109.511 108.800 0.001 0.000 2.586 119 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.218 119 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.218 119 G C 1.475 176.376 174.900 0.001 0.000 1.216 119 G CA 1.533 46.634 45.100 0.001 0.000 0.786 119 G HN 0.361 nan 8.290 nan 0.000 0.583 120 I N 1.134 121.706 120.570 0.002 0.000 2.091 120 I HA -0.262 3.908 4.170 -0.000 0.000 0.240 120 I C 2.470 178.586 176.117 -0.001 0.000 1.046 120 I CA 1.840 63.141 61.300 0.002 0.000 1.306 120 I CB -0.312 37.691 38.000 0.004 0.000 1.018 120 I HN 0.111 nan 8.210 nan 0.000 0.404 121 D N 0.492 120.890 120.400 -0.003 0.000 2.149 121 D HA -0.202 4.438 4.640 -0.000 0.000 0.198 121 D C 2.071 178.366 176.300 -0.008 0.000 0.990 121 D CA 1.167 55.162 54.000 -0.008 0.000 0.839 121 D CB -0.245 40.549 40.800 -0.009 0.000 0.948 121 D HN 0.350 nan 8.370 nan 0.000 0.460 122 K N 0.607 121.005 120.400 -0.004 0.000 1.985 122 K HA -0.100 4.220 4.320 -0.000 0.000 0.210 122 K C 2.132 178.730 176.600 -0.003 0.000 1.047 122 K CA 1.211 57.495 56.287 -0.004 0.000 0.932 122 K CB -0.124 32.375 32.500 -0.002 0.000 0.716 122 K HN 0.001 nan 8.250 nan 0.000 0.439 123 A N 0.735 123.554 122.820 -0.001 0.000 1.958 123 A HA -0.183 4.137 4.320 -0.000 0.000 0.221 123 A C 2.244 179.828 177.584 -0.000 0.000 1.178 123 A CA 2.027 54.064 52.037 0.001 0.000 0.642 123 A CB -0.767 18.234 19.000 0.003 0.000 0.816 123 A HN 0.209 nan 8.150 nan 0.000 0.453 124 V N -0.829 119.084 119.914 -0.003 0.000 2.283 124 V HA -0.212 3.908 4.120 -0.000 0.000 0.243 124 V C 2.690 178.778 176.094 -0.009 0.000 1.039 124 V CA 2.394 64.690 62.300 -0.006 0.000 1.016 124 V CB -1.398 30.417 31.823 -0.012 0.000 0.650 124 V HN 0.600 nan 8.190 nan 0.000 0.449 125 T N 0.753 115.300 114.554 -0.011 0.000 2.620 125 T HA -0.319 4.031 4.350 -0.000 0.000 0.267 125 T C 1.995 176.691 174.700 -0.006 0.000 1.044 125 T CA 2.195 64.288 62.100 -0.011 0.000 1.161 125 T CB -0.530 68.332 68.868 -0.010 0.000 0.862 125 T HN 0.592 nan 8.240 nan 0.000 0.438 126 A N 1.034 123.852 122.820 -0.003 0.000 1.898 126 A HA 0.255 4.575 4.320 -0.000 0.000 0.216 126 A C 2.620 180.205 177.584 0.002 0.000 1.181 126 A CA 1.777 53.814 52.037 -0.000 0.000 0.620 126 A CB -1.004 17.996 19.000 0.001 0.000 0.819 126 A HN 0.532 nan 8.150 nan 0.000 0.442 127 A N -0.550 122.271 122.820 0.002 0.000 1.968 127 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 127 A C 2.180 179.766 177.584 0.004 0.000 1.169 127 A CA 1.484 53.525 52.037 0.005 0.000 0.638 127 A CB -0.810 18.194 19.000 0.007 0.000 0.812 127 A HN 0.344 nan 8.150 nan 0.000 0.446 128 V N 0.034 119.948 119.914 -0.000 0.000 2.287 128 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 128 V C 2.533 178.628 176.094 0.001 0.000 1.053 128 V CA 2.469 64.768 62.300 -0.001 0.000 1.027 128 V CB -0.865 30.953 31.823 -0.009 0.000 0.646 128 V HN 0.583 nan 8.190 nan 0.000 0.447 129 E N 0.157 120.357 120.200 0.000 0.000 2.065 129 E HA -0.237 4.113 4.350 -0.000 0.000 0.201 129 E C 2.315 178.919 176.600 0.006 0.000 1.016 129 E CA 1.673 58.075 56.400 0.003 0.000 0.818 129 E CB -0.310 29.391 29.700 0.002 0.000 0.749 129 E HN 0.540 nan 8.360 nan 0.000 0.453 130 E N -0.328 119.876 120.200 0.007 0.000 2.085 130 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 130 E C 2.112 178.720 176.600 0.013 0.000 0.994 130 E CA 0.717 57.123 56.400 0.010 0.000 0.801 130 E CB -0.272 29.434 29.700 0.011 0.000 0.743 130 E HN 0.183 nan 8.360 nan 0.000 0.453 131 L N 1.617 122.848 121.223 0.013 0.000 2.042 131 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 131 L C 2.181 179.060 176.870 0.014 0.000 1.076 131 L CA 1.719 56.568 54.840 0.015 0.000 0.749 131 L CB -0.493 41.574 42.059 0.013 0.000 0.893 131 L HN 0.045 nan 8.230 nan 0.000 0.432 132 K N -1.105 119.301 120.400 0.011 0.000 2.209 132 K HA -0.111 4.209 4.320 -0.000 0.000 0.204 132 K C 2.013 178.620 176.600 0.011 0.000 1.048 132 K CA 1.256 57.549 56.287 0.010 0.000 0.940 132 K CB -0.273 32.232 32.500 0.008 0.000 0.729 132 K HN 0.358 nan 8.250 nan 0.000 0.451 133 A N 1.270 124.097 122.820 0.012 0.000 1.930 133 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 133 A C 2.047 179.640 177.584 0.015 0.000 1.176 133 A CA 0.689 52.733 52.037 0.012 0.000 0.632 133 A CB -0.289 18.717 19.000 0.011 0.000 0.819 133 A HN 0.190 nan 8.150 nan 0.000 0.445 134 L N -0.080 121.154 121.223 0.018 0.000 2.217 134 L HA 0.107 4.447 4.340 -0.000 0.000 0.211 134 L C 1.365 178.248 176.870 0.022 0.000 1.107 134 L CA 0.954 55.807 54.840 0.022 0.000 0.783 134 L CB -0.519 41.555 42.059 0.026 0.000 0.919 134 L HN 0.247 nan 8.230 nan 0.000 0.442 135 S N -0.857 114.855 115.700 0.019 0.000 2.552 135 S HA 0.200 4.670 4.470 -0.000 0.000 0.289 135 S C -0.229 174.382 174.600 0.017 0.000 1.304 135 S CA -0.470 57.741 58.200 0.018 0.000 1.063 135 S CB 0.279 63.489 63.200 0.016 0.000 0.848 135 S HN 0.052 nan 8.310 nan 0.000 0.499 136 V N 8.224 128.149 119.914 0.017 0.000 2.417 136 V HA 0.409 4.529 4.120 -0.000 0.000 0.291 136 V C -2.054 174.048 176.094 0.015 0.000 1.024 136 V CA -1.847 60.463 62.300 0.016 0.000 0.861 136 V CB 1.506 33.339 31.823 0.017 0.000 0.985 136 V HN 0.762 nan 8.190 nan 0.000 0.436 137 P HA 0.189 nan 4.420 nan 0.000 0.271 137 P C -0.806 176.501 177.300 0.012 0.000 1.233 137 P CA -0.260 62.847 63.100 0.012 0.000 0.789 137 P CB 0.457 32.163 31.700 0.011 0.000 0.951 138 C N 1.465 120.772 119.300 0.012 0.000 2.478 138 C HA 0.619 5.079 4.460 -0.000 0.000 0.334 138 C C 1.083 176.079 174.990 0.010 0.000 1.106 138 C CA 0.384 59.408 59.018 0.011 0.000 1.363 138 C CB -0.430 27.317 27.740 0.012 0.000 1.941 138 C HN 0.645 nan 8.230 nan 0.000 0.436 139 S N 3.090 118.795 115.700 0.008 0.000 3.056 139 S HA 0.209 4.679 4.470 -0.000 0.000 0.255 139 S C 0.242 174.846 174.600 0.006 0.000 1.079 139 S CA 0.590 58.794 58.200 0.007 0.000 0.810 139 S CB -0.156 63.048 63.200 0.007 0.000 0.810 139 S HN 0.936 nan 8.310 nan 0.000 0.477 140 D N 1.422 121.826 120.400 0.005 0.000 2.358 140 D HA 0.344 4.984 4.640 -0.000 0.000 0.244 140 D C 1.051 177.353 176.300 0.004 0.000 1.163 140 D CA -0.042 53.960 54.000 0.004 0.000 0.945 140 D CB 0.419 41.221 40.800 0.004 0.000 1.152 140 D HN 0.076 nan 8.370 nan 0.000 0.451 141 S N -0.245 115.456 115.700 0.002 0.000 2.374 141 S HA -0.252 4.218 4.470 -0.000 0.000 0.227 141 S C 1.572 176.173 174.600 0.002 0.000 1.037 141 S CA 1.715 59.916 58.200 0.002 0.000 1.024 141 S CB -0.336 62.864 63.200 0.000 0.000 0.861 141 S HN 0.636 nan 8.310 nan 0.000 0.456 142 K N 0.923 121.325 120.400 0.002 0.000 2.001 142 K HA -0.138 4.182 4.320 -0.000 0.000 0.214 142 K C 2.171 178.773 176.600 0.004 0.000 1.050 142 K CA 1.494 57.783 56.287 0.003 0.000 0.934 142 K CB -0.443 32.059 32.500 0.003 0.000 0.718 142 K HN 0.312 nan 8.250 nan 0.000 0.443 143 A N 1.049 123.872 122.820 0.005 0.000 1.972 143 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 143 A C 2.010 179.598 177.584 0.006 0.000 1.169 143 A CA 1.204 53.245 52.037 0.006 0.000 0.635 143 A CB -0.483 18.521 19.000 0.007 0.000 0.810 143 A HN 0.311 nan 8.150 nan 0.000 0.446 144 I N 0.134 120.707 120.570 0.005 0.000 2.113 144 I HA -0.247 3.923 4.170 -0.000 0.000 0.238 144 I C 2.953 179.072 176.117 0.004 0.000 1.070 144 I CA 1.538 62.841 61.300 0.005 0.000 1.332 144 I CB -1.644 36.358 38.000 0.003 0.000 1.044 144 I HN 0.353 nan 8.210 nan 0.000 0.402 145 A N -0.208 122.614 122.820 0.003 0.000 1.933 145 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 145 A C 2.238 179.823 177.584 0.002 0.000 1.175 145 A CA 1.791 53.829 52.037 0.002 0.000 0.628 145 A CB -0.647 18.353 19.000 0.000 0.000 0.814 145 A HN 0.487 nan 8.150 nan 0.000 0.444 146 Q N 0.218 120.020 119.800 0.003 0.000 1.935 146 Q HA -0.210 4.130 4.340 -0.000 0.000 0.212 146 Q C 2.085 178.088 176.000 0.005 0.000 1.008 146 Q CA 3.365 59.170 55.803 0.004 0.000 0.868 146 Q CB -0.838 27.903 28.738 0.005 0.000 0.946 146 Q HN 0.721 nan 8.270 nan 0.000 0.418 147 V N -0.345 119.573 119.914 0.007 0.000 2.407 147 V HA -0.084 4.036 4.120 -0.000 0.000 0.248 147 V C 1.907 178.006 176.094 0.009 0.000 1.055 147 V CA 2.591 64.896 62.300 0.009 0.000 1.049 147 V CB -1.388 30.443 31.823 0.012 0.000 0.662 147 V HN 0.510 nan 8.190 nan 0.000 0.455 148 G N 0.713 109.517 108.800 0.008 0.000 2.480 148 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.216 148 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.216 148 G C 1.808 176.710 174.900 0.005 0.000 1.200 148 G CA 2.397 47.501 45.100 0.007 0.000 0.782 148 G HN 0.758 nan 8.290 nan 0.000 0.554 149 T N 0.188 114.744 114.554 0.002 0.000 2.720 149 T HA -0.097 4.253 4.350 -0.000 0.000 0.268 149 T C 2.418 177.118 174.700 -0.000 0.000 1.037 149 T CA 1.442 63.542 62.100 0.000 0.000 1.144 149 T CB -0.368 68.499 68.868 -0.001 0.000 0.864 149 T HN 0.239 nan 8.240 nan 0.000 0.444 150 I N 1.671 122.242 120.570 0.000 0.000 2.226 150 I HA -0.132 4.038 4.170 -0.000 0.000 0.245 150 I C 3.029 179.145 176.117 -0.000 0.000 1.100 150 I CA 1.441 62.740 61.300 -0.002 0.000 1.374 150 I CB -0.542 37.457 38.000 -0.002 0.000 1.057 150 I HN 0.312 nan 8.210 nan 0.000 0.413 151 S N 0.312 116.015 115.700 0.005 0.000 2.447 151 S HA 0.021 4.491 4.470 -0.000 0.000 0.233 151 S C 1.697 176.302 174.600 0.009 0.000 1.006 151 S CA 1.022 59.227 58.200 0.009 0.000 0.957 151 S CB -0.131 63.079 63.200 0.017 0.000 0.773 151 S HN 0.445 nan 8.310 nan 0.000 0.507 152 A N 1.261 124.084 122.820 0.006 0.000 2.545 152 A HA 0.408 4.728 4.320 -0.000 0.000 0.277 152 A C 0.476 178.060 177.584 -0.000 0.000 1.301 152 A CA -0.198 51.842 52.037 0.004 0.000 0.935 152 A CB -0.673 18.329 19.000 0.003 0.000 1.093 152 A HN 0.690 nan 8.150 nan 0.000 0.519 153 N N 0.262 118.961 118.700 -0.002 0.000 2.729 153 N HA -0.198 4.542 4.740 -0.000 0.000 0.259 153 N C 0.141 175.647 175.510 -0.007 0.000 1.119 153 N CA 0.515 53.562 53.050 -0.006 0.000 0.679 153 N CB -1.106 37.377 38.487 -0.006 0.000 0.892 153 N HN 0.398 nan 8.380 nan 0.000 0.558 154 S N -0.764 114.931 115.700 -0.008 0.000 3.257 154 S HA -0.232 4.238 4.470 -0.000 0.000 0.300 154 S C -0.174 174.422 174.600 -0.006 0.000 1.275 154 S CA 1.385 59.580 58.200 -0.008 0.000 1.023 154 S CB -0.673 62.520 63.200 -0.011 0.000 1.180 154 S HN 0.782 nan 8.310 nan 0.000 0.660 155 D N 1.256 121.653 120.400 -0.005 0.000 2.393 155 D HA 0.278 4.918 4.640 -0.000 0.000 0.232 155 D C 0.976 177.274 176.300 -0.004 0.000 1.192 155 D CA -0.163 53.834 54.000 -0.004 0.000 0.882 155 D CB 0.516 41.313 40.800 -0.004 0.000 1.038 155 D HN 0.421 nan 8.370 nan 0.000 0.499 156 E N 1.024 121.221 120.200 -0.004 0.000 2.204 156 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 156 E C 1.763 178.361 176.600 -0.003 0.000 0.989 156 E CA 1.173 57.571 56.400 -0.003 0.000 0.824 156 E CB 0.291 29.989 29.700 -0.003 0.000 0.756 156 E HN 0.628 nan 8.360 nan 0.000 0.477 157 T N -1.669 112.882 114.554 -0.004 0.000 2.867 157 T HA -0.092 4.258 4.350 -0.000 0.000 0.268 157 T C 2.000 176.697 174.700 -0.005 0.000 1.057 157 T CA 1.020 63.118 62.100 -0.004 0.000 1.136 157 T CB -0.323 68.542 68.868 -0.005 0.000 0.874 157 T HN -0.040 nan 8.240 nan 0.000 0.466 158 V N 1.876 121.787 119.914 -0.004 0.000 2.358 158 V HA 0.071 4.191 4.120 -0.000 0.000 0.246 158 V C 3.155 179.247 176.094 -0.004 0.000 1.047 158 V CA 1.606 63.903 62.300 -0.004 0.000 1.035 158 V CB -1.612 30.210 31.823 -0.003 0.000 0.658 158 V HN 0.651 nan 8.190 nan 0.000 0.452 159 G N -0.049 108.749 108.800 -0.002 0.000 2.491 159 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.218 159 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.218 159 G C 1.623 176.522 174.900 -0.003 0.000 1.180 159 G CA 1.390 46.490 45.100 -0.001 0.000 0.774 159 G HN 0.491 nan 8.290 nan 0.000 0.562 160 K N -0.494 119.904 120.400 -0.003 0.000 2.001 160 K HA -0.085 4.235 4.320 -0.000 0.000 0.214 160 K C 2.535 179.132 176.600 -0.005 0.000 1.050 160 K CA 1.346 57.631 56.287 -0.004 0.000 0.934 160 K CB -0.344 32.154 32.500 -0.004 0.000 0.718 160 K HN 0.216 nan 8.250 nan 0.000 0.443 161 L N 1.038 122.257 121.223 -0.007 0.000 2.079 161 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 161 L C 2.117 178.980 176.870 -0.010 0.000 1.081 161 L CA 1.496 56.331 54.840 -0.009 0.000 0.752 161 L CB -0.310 41.743 42.059 -0.010 0.000 0.896 161 L HN 0.280 nan 8.230 nan 0.000 0.433 162 I N -1.272 119.292 120.570 -0.010 0.000 2.133 162 I HA -0.303 3.867 4.170 -0.000 0.000 0.238 162 I C 2.634 178.746 176.117 -0.008 0.000 1.074 162 I CA 1.173 62.466 61.300 -0.011 0.000 1.342 162 I CB -0.686 37.309 38.000 -0.009 0.000 1.053 162 I HN 0.216 nan 8.210 nan 0.000 0.404 163 A N 0.354 123.171 122.820 -0.005 0.000 1.940 163 A HA -0.314 4.006 4.320 -0.000 0.000 0.221 163 A C 2.249 179.831 177.584 -0.005 0.000 1.190 163 A CA 2.277 54.312 52.037 -0.004 0.000 0.647 163 A CB -0.786 18.213 19.000 -0.002 0.000 0.821 163 A HN 0.507 nan 8.150 nan 0.000 0.457 164 E N -0.817 119.379 120.200 -0.006 0.000 2.072 164 E HA -0.053 4.297 4.350 -0.000 0.000 0.191 164 E C 2.401 178.996 176.600 -0.008 0.000 0.985 164 E CA 0.787 57.183 56.400 -0.007 0.000 0.801 164 E CB -0.246 29.450 29.700 -0.007 0.000 0.750 164 E HN 0.640 nan 8.360 nan 0.000 0.452 165 A N 1.462 124.276 122.820 -0.010 0.000 1.835 165 A HA -0.226 4.093 4.320 -0.000 0.000 0.215 165 A C 2.216 179.794 177.584 -0.011 0.000 1.199 165 A CA 1.709 53.739 52.037 -0.012 0.000 0.615 165 A CB -0.628 18.362 19.000 -0.017 0.000 0.838 165 A HN 0.152 nan 8.150 nan 0.000 0.444 166 M N -0.805 118.789 119.600 -0.010 0.000 2.108 166 M HA -0.261 4.219 4.480 -0.000 0.000 0.257 166 M C 1.779 178.075 176.300 -0.006 0.000 1.071 166 M CA 2.308 57.603 55.300 -0.007 0.000 1.093 166 M CB -1.095 31.502 32.600 -0.005 0.000 1.345 166 M HN 0.509 nan 8.290 nan 0.000 0.403 167 D N 0.290 120.687 120.400 -0.005 0.000 2.221 167 D HA -0.125 4.515 4.640 -0.000 0.000 0.204 167 D C 1.898 178.195 176.300 -0.005 0.000 0.982 167 D CA 1.181 55.179 54.000 -0.004 0.000 0.857 167 D CB 0.251 41.049 40.800 -0.004 0.000 0.934 167 D HN 0.356 nan 8.370 nan 0.000 0.475 168 K N -1.057 119.339 120.400 -0.006 0.000 2.240 168 K HA 0.121 4.441 4.320 -0.000 0.000 0.202 168 K C 1.425 178.021 176.600 -0.007 0.000 1.053 168 K CA 0.256 56.539 56.287 -0.007 0.000 0.973 168 K CB 0.582 33.077 32.500 -0.008 0.000 0.924 168 K HN -0.024 nan 8.250 nan 0.000 0.477 169 V N 0.355 120.265 119.914 -0.008 0.000 3.578 169 V HA 0.270 4.390 4.120 -0.000 0.000 0.290 169 V C -0.045 176.045 176.094 -0.006 0.000 1.376 169 V CA 0.799 63.094 62.300 -0.008 0.000 1.083 169 V CB 0.301 32.118 31.823 -0.010 0.000 0.911 169 V HN 0.543 nan 8.190 nan 0.000 0.433 170 G N 0.659 109.456 108.800 -0.006 0.000 2.612 170 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.686 170 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.686 170 G C -0.043 174.855 174.900 -0.004 0.000 1.274 170 G CA -0.076 45.022 45.100 -0.004 0.000 0.849 170 G HN 0.288 nan 8.290 nan 0.000 0.595 171 K N -0.053 120.346 120.400 -0.001 0.000 2.442 171 K HA 0.040 4.360 4.320 -0.000 0.000 0.198 171 K C 1.936 178.536 176.600 0.001 0.000 1.042 171 K CA 1.602 57.889 56.287 0.000 0.000 0.958 171 K CB 0.148 32.650 32.500 0.004 0.000 0.766 171 K HN 0.407 nan 8.250 nan 0.000 0.474 172 E N 0.777 120.977 120.200 0.000 0.000 2.038 172 E HA 0.045 4.395 4.350 -0.000 0.000 0.190 172 E C 0.707 177.305 176.600 -0.004 0.000 0.967 172 E CA 0.538 56.939 56.400 0.001 0.000 0.816 172 E CB -0.483 29.218 29.700 0.002 0.000 0.784 172 E HN 0.291 nan 8.360 nan 0.000 0.456 173 G N 1.186 109.983 108.800 -0.005 0.000 2.548 173 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.243 173 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.243 173 G C -0.017 174.874 174.900 -0.014 0.000 0.801 173 G CA 0.014 45.110 45.100 -0.008 0.000 0.977 173 G HN 0.113 nan 8.290 nan 0.000 0.363 174 V N 4.342 124.247 119.914 -0.015 0.000 2.446 174 V HA 0.154 4.274 4.120 -0.000 0.000 0.276 174 V C 0.842 176.917 176.094 -0.030 0.000 1.030 174 V CA 0.457 62.743 62.300 -0.024 0.000 1.033 174 V CB 0.195 32.004 31.823 -0.023 0.000 0.993 174 V HN 0.487 nan 8.190 nan 0.000 0.477 175 I N 5.604 126.150 120.570 -0.040 0.000 2.382 175 I HA 0.497 4.667 4.170 -0.000 0.000 0.286 175 I C 0.377 176.460 176.117 -0.057 0.000 1.002 175 I CA -0.255 61.019 61.300 -0.044 0.000 1.135 175 I CB 1.835 39.810 38.000 -0.042 0.000 1.288 175 I HN 0.672 nan 8.210 nan 0.000 0.448 176 T N 2.528 117.051 114.554 -0.051 0.000 2.940 176 T HA 0.792 5.142 4.350 -0.000 0.000 0.288 176 T C -0.453 174.220 174.700 -0.046 0.000 1.045 176 T CA -0.832 61.235 62.100 -0.055 0.000 1.018 176 T CB 2.280 71.118 68.868 -0.051 0.000 1.151 176 T HN 0.186 nan 8.240 nan 0.000 0.529 177 V N 0.898 120.785 119.914 -0.045 0.000 2.540 177 V HA 0.585 4.705 4.120 -0.000 0.000 0.302 177 V C -0.313 175.763 176.094 -0.030 0.000 1.035 177 V CA -0.766 61.512 62.300 -0.036 0.000 0.873 177 V CB 1.422 33.222 31.823 -0.038 0.000 0.992 177 V HN 0.987 nan 8.190 nan 0.000 0.428 178 E N 1.400 121.586 120.200 -0.025 0.000 2.320 178 E HA 0.432 4.782 4.350 -0.000 0.000 0.264 178 E C -1.377 175.213 176.600 -0.017 0.000 0.923 178 E CA -1.008 55.379 56.400 -0.021 0.000 0.796 178 E CB 1.718 31.405 29.700 -0.022 0.000 1.262 178 E HN 0.665 nan 8.360 nan 0.000 0.428 179 D N 0.608 121.000 120.400 -0.015 0.000 2.455 179 D HA 0.196 4.836 4.640 -0.000 0.000 0.241 179 D C -0.105 176.188 176.300 -0.012 0.000 1.138 179 D CA 0.465 54.458 54.000 -0.012 0.000 0.877 179 D CB 0.875 41.669 40.800 -0.010 0.000 1.187 179 D HN 0.434 nan 8.370 nan 0.000 0.451 180 G N 0.031 108.824 108.800 -0.011 0.000 2.448 180 G HA2 0.376 4.336 3.960 -0.000 0.000 0.285 180 G HA3 0.376 4.336 3.960 -0.000 0.000 0.285 180 G C 0.910 175.804 174.900 -0.010 0.000 1.176 180 G CA -0.382 44.711 45.100 -0.011 0.000 0.852 180 G HN 0.483 nan 8.290 nan 0.000 0.530 181 T N -1.272 113.276 114.554 -0.010 0.000 2.990 181 T HA 0.372 4.722 4.350 -0.000 0.000 0.250 181 T C 1.194 175.889 174.700 -0.008 0.000 1.041 181 T CA 0.692 62.787 62.100 -0.009 0.000 1.010 181 T CB 0.494 69.356 68.868 -0.010 0.000 1.003 181 T HN 0.728 nan 8.240 nan 0.000 0.499 182 G N 1.159 109.954 108.800 -0.008 0.000 3.008 182 G HA2 0.541 4.501 3.960 -0.000 0.000 0.181 182 G HA3 0.541 4.501 3.960 -0.000 0.000 0.181 182 G C 0.146 175.043 174.900 -0.006 0.000 1.309 182 G CA -0.332 44.764 45.100 -0.007 0.000 1.009 182 G HN 0.228 nan 8.290 nan 0.000 0.584 183 L N -0.913 120.307 121.223 -0.006 0.000 2.554 183 L HA 0.379 4.719 4.340 -0.000 0.000 0.225 183 L C 0.601 177.467 176.870 -0.006 0.000 1.104 183 L CA 0.374 55.211 54.840 -0.005 0.000 0.866 183 L CB -0.176 41.880 42.059 -0.005 0.000 1.047 183 L HN 0.213 nan 8.230 nan 0.000 0.468 184 Q N 1.615 121.411 119.800 -0.006 0.000 2.261 184 Q HA 0.188 4.528 4.340 -0.000 0.000 0.252 184 Q C -0.793 175.202 176.000 -0.007 0.000 0.915 184 Q CA -0.261 55.538 55.803 -0.007 0.000 0.915 184 Q CB 1.008 29.742 28.738 -0.006 0.000 1.204 184 Q HN 0.302 nan 8.270 nan 0.000 0.421 185 D N 2.188 122.584 120.400 -0.008 0.000 2.399 185 D HA 0.126 4.766 4.640 -0.000 0.000 0.241 185 D C -0.255 176.040 176.300 -0.009 0.000 1.133 185 D CA 0.411 54.406 54.000 -0.009 0.000 0.890 185 D CB 0.947 41.742 40.800 -0.009 0.000 1.201 185 D HN 0.369 nan 8.370 nan 0.000 0.432 186 E N 0.358 120.551 120.200 -0.010 0.000 2.317 186 E HA 0.547 4.897 4.350 -0.000 0.000 0.270 186 E C -0.802 175.791 176.600 -0.012 0.000 0.885 186 E CA -0.761 55.633 56.400 -0.011 0.000 0.760 186 E CB 2.648 32.341 29.700 -0.011 0.000 1.227 186 E HN 0.159 nan 8.360 nan 0.000 0.434 187 L N 2.605 123.821 121.223 -0.012 0.000 2.372 187 L HA 0.464 4.804 4.340 -0.000 0.000 0.274 187 L C -1.617 175.245 176.870 -0.012 0.000 0.988 187 L CA -0.438 54.395 54.840 -0.013 0.000 0.833 187 L CB 0.970 43.022 42.059 -0.012 0.000 1.236 187 L HN 0.614 nan 8.230 nan 0.000 0.410 188 D N 4.479 124.871 120.400 -0.014 0.000 2.646 188 D HA 0.355 4.995 4.640 -0.000 0.000 0.245 188 D C -0.458 175.834 176.300 -0.014 0.000 1.099 188 D CA -0.232 53.760 54.000 -0.013 0.000 0.849 188 D CB 3.216 44.008 40.800 -0.014 0.000 1.448 188 D HN 0.309 nan 8.370 nan 0.000 0.489 189 V N -0.188 119.718 119.914 -0.012 0.000 2.567 189 V HA 0.782 4.902 4.120 -0.000 0.000 0.289 189 V C 0.025 176.112 176.094 -0.011 0.000 1.049 189 V CA -0.368 61.925 62.300 -0.012 0.000 0.969 189 V CB 1.557 33.374 31.823 -0.010 0.000 0.995 189 V HN 0.340 nan 8.190 nan 0.000 0.471 190 V N 1.772 121.679 119.914 -0.011 0.000 3.204 190 V HA 0.457 4.577 4.120 -0.000 0.000 0.298 190 V C -0.767 175.322 176.094 -0.009 0.000 1.328 190 V CA -0.612 61.682 62.300 -0.011 0.000 1.035 190 V CB 2.374 34.189 31.823 -0.014 0.000 1.095 190 V HN 1.084 nan 8.190 nan 0.000 0.442 191 E N 2.252 122.448 120.200 -0.007 0.000 2.415 191 E HA 0.533 4.883 4.350 -0.000 0.000 0.263 191 E C 0.327 176.926 176.600 -0.002 0.000 0.995 191 E CA 1.068 57.466 56.400 -0.004 0.000 0.915 191 E CB 0.980 30.678 29.700 -0.003 0.000 0.951 191 E HN 1.123 nan 8.360 nan 0.000 0.449 192 G N 1.095 109.898 108.800 0.004 0.000 2.364 192 G HA2 0.505 4.465 3.960 -0.000 0.000 0.286 192 G HA3 0.505 4.465 3.960 -0.000 0.000 0.286 192 G C -1.090 173.823 174.900 0.021 0.000 1.241 192 G CA -0.512 44.593 45.100 0.009 0.000 0.887 192 G HN 0.433 nan 8.290 nan 0.000 0.484 193 M N -0.249 119.366 119.600 0.024 0.000 3.019 193 M HA 0.380 4.860 4.480 -0.000 0.000 0.256 193 M C -2.386 173.934 176.300 0.033 0.000 0.911 193 M CA -0.511 54.819 55.300 0.050 0.000 0.794 193 M CB 2.150 34.810 32.600 0.100 0.000 1.643 193 M HN 0.846 nan 8.290 nan 0.000 0.572 194 Q N 3.036 122.861 119.800 0.042 0.000 2.315 194 Q HA 0.748 5.088 4.340 -0.000 0.000 0.273 194 Q C -2.195 173.842 176.000 0.061 0.000 1.053 194 Q CA -0.618 55.160 55.803 -0.042 0.000 0.817 194 Q CB 2.359 31.057 28.738 -0.068 0.000 1.326 194 Q HN 0.545 nan 8.270 nan 0.000 0.423 195 F N -0.068 119.877 119.950 -0.007 0.000 2.588 195 F HA 0.501 5.028 4.527 -0.000 0.000 0.310 195 F C -0.569 175.230 175.800 -0.002 0.000 1.082 195 F CA -1.153 56.845 58.000 -0.002 0.000 0.929 195 F CB 1.239 40.239 39.000 0.000 0.000 1.254 195 F HN 0.305 nan 8.300 nan 0.000 0.455 196 D N 3.511 124.043 120.400 0.221 0.000 2.662 196 D HA 0.159 4.799 4.640 -0.000 0.000 0.228 196 D C -0.221 176.171 176.300 0.154 0.000 1.093 196 D CA 0.432 54.502 54.000 0.117 0.000 1.075 196 D CB -0.193 40.663 40.800 0.093 0.000 1.122 196 D HN 0.319 nan 8.370 nan 0.000 0.475 197 R N -0.087 120.498 120.500 0.143 0.000 2.673 197 R HA 0.646 4.986 4.340 -0.000 0.000 0.281 197 R C 0.252 176.545 176.300 -0.012 0.000 0.991 197 R CA -0.831 55.345 56.100 0.126 0.000 0.896 197 R CB 2.208 32.690 30.300 0.304 0.000 1.201 197 R HN 0.191 nan 8.270 nan 0.000 0.457 198 G N 0.959 109.727 108.800 -0.053 0.000 2.471 198 G HA2 0.459 4.419 3.960 -0.000 0.000 0.332 198 G HA3 0.459 4.419 3.960 -0.000 0.000 0.332 198 G C -0.624 174.224 174.900 -0.088 0.000 1.176 198 G CA -0.591 44.397 45.100 -0.188 0.000 0.949 198 G HN 0.455 nan 8.290 nan 0.000 0.488 199 Y N -0.778 119.557 120.300 0.058 0.000 2.890 199 Y HA 0.135 4.685 4.550 0.000 0.000 0.341 199 Y C 1.041 177.043 175.900 0.169 0.000 1.269 199 Y CA -0.739 57.433 58.100 0.120 0.000 1.517 199 Y CB 0.289 38.862 38.460 0.188 0.000 1.314 199 Y HN 0.216 nan 8.280 nan 0.000 0.622 200 L N 1.711 123.248 121.223 0.523 0.000 2.558 200 L HA 0.145 4.485 4.340 -0.000 0.000 0.225 200 L C 0.619 177.708 176.870 0.364 0.000 1.128 200 L CA 0.851 55.929 54.840 0.398 0.000 0.868 200 L CB -0.083 42.180 42.059 0.339 0.000 1.006 200 L HN 0.804 nan 8.230 nan 0.000 0.454 201 S N -1.355 114.589 115.700 0.408 0.000 2.584 201 S HA 0.330 4.800 4.470 -0.000 0.000 0.280 201 S C -2.385 172.016 174.600 -0.332 0.000 1.162 201 S CA -0.905 57.278 58.200 -0.028 0.000 0.951 201 S CB 1.718 64.736 63.200 -0.303 0.000 1.108 201 S HN -0.242 nan 8.310 nan 0.000 0.464 202 P HA -0.042 nan 4.420 nan 0.000 0.221 202 P C 0.491 177.441 177.300 -0.584 0.000 1.145 202 P CA 0.959 63.601 63.100 -0.765 0.000 0.795 202 P CB -0.135 31.244 31.700 -0.535 0.000 0.775 203 Y N -2.727 117.338 120.300 -0.391 0.000 2.616 203 Y HA 0.002 4.552 4.550 -0.000 0.000 0.296 203 Y C 1.778 177.500 175.900 -0.297 0.000 1.154 203 Y CA 0.255 58.160 58.100 -0.325 0.000 1.325 203 Y CB -1.209 37.055 38.460 -0.327 0.000 1.007 203 Y HN -0.063 nan 8.280 nan 0.000 0.542 204 F N -0.266 119.633 119.950 -0.086 0.000 2.325 204 F HA -0.007 4.520 4.527 0.000 0.000 0.299 204 F C 1.144 176.892 175.800 -0.087 0.000 1.090 204 F CA -0.327 57.631 58.000 -0.070 0.000 1.392 204 F CB -0.740 38.219 39.000 -0.069 0.000 1.053 204 F HN -0.181 nan 8.300 nan 0.000 0.521 205 I N 2.538 123.102 120.570 -0.010 0.000 2.919 205 I HA -0.219 3.951 4.170 -0.000 0.000 0.299 205 I C 0.903 177.035 176.117 0.026 0.000 1.221 205 I CA 0.411 61.698 61.300 -0.022 0.000 1.424 205 I CB 0.187 38.127 38.000 -0.100 0.000 1.358 205 I HN 0.210 nan 8.210 nan 0.000 0.551 206 N N 5.386 124.108 118.700 0.037 0.000 2.184 206 N HA 0.055 4.795 4.740 -0.000 0.000 0.206 206 N C -0.249 175.273 175.510 0.021 0.000 1.151 206 N CA -0.092 52.977 53.050 0.032 0.000 0.878 206 N CB 0.429 38.938 38.487 0.037 0.000 1.014 206 N HN 0.466 nan 8.380 nan 0.000 0.512 207 K N 0.926 121.338 120.400 0.021 0.000 2.827 207 K HA 0.269 4.589 4.320 -0.000 0.000 0.186 207 K C -2.172 174.439 176.600 0.019 0.000 1.093 207 K CA -1.522 54.776 56.287 0.018 0.000 0.993 207 K CB 2.097 34.608 32.500 0.019 0.000 1.199 207 K HN -0.088 nan 8.250 nan 0.000 0.598 208 P HA -0.185 nan 4.420 nan 0.000 0.222 208 P C 0.215 177.525 177.300 0.016 0.000 1.142 208 P CA 1.239 64.346 63.100 0.012 0.000 0.788 208 P CB 0.410 32.114 31.700 0.008 0.000 0.767 209 E N -0.960 119.251 120.200 0.017 0.000 2.285 209 E HA -0.035 4.315 4.350 -0.000 0.000 0.194 209 E C 1.495 178.110 176.600 0.026 0.000 0.997 209 E CA 1.100 57.511 56.400 0.018 0.000 0.845 209 E CB -0.947 28.762 29.700 0.015 0.000 0.782 209 E HN 0.261 nan 8.360 nan 0.000 0.491 210 T N -0.677 113.896 114.554 0.032 0.000 3.060 210 T HA 0.208 4.558 4.350 -0.000 0.000 0.249 210 T C 1.195 175.930 174.700 0.058 0.000 1.079 210 T CA 0.267 62.394 62.100 0.044 0.000 1.013 210 T CB 0.310 69.203 68.868 0.042 0.000 0.975 210 T HN 0.309 nan 8.240 nan 0.000 0.518 211 G N 1.885 110.716 108.800 0.052 0.000 2.393 211 G HA2 0.067 4.027 3.960 -0.000 0.000 0.299 211 G HA3 0.067 4.027 3.960 -0.000 0.000 0.299 211 G C 0.035 175.010 174.900 0.126 0.000 0.990 211 G CA 0.139 45.280 45.100 0.068 0.000 1.118 211 G HN 0.968 nan 8.290 nan 0.000 0.513 212 A N -1.038 121.841 122.820 0.098 0.000 2.606 212 A HA 0.858 5.178 4.320 -0.000 0.000 0.293 212 A C -0.502 177.134 177.584 0.087 0.000 1.082 212 A CA -0.282 51.832 52.037 0.128 0.000 0.685 212 A CB 1.874 20.930 19.000 0.093 0.000 1.284 212 A HN 1.292 nan 8.150 nan 0.000 0.408 213 V N 0.963 120.940 119.914 0.105 0.000 2.435 213 V HA 0.556 4.676 4.120 -0.000 0.000 0.290 213 V C -0.044 176.073 176.094 0.038 0.000 1.030 213 V CA -0.255 62.088 62.300 0.071 0.000 0.881 213 V CB 1.376 33.252 31.823 0.087 0.000 0.983 213 V HN 0.883 nan 8.190 nan 0.000 0.445 214 E N 4.435 124.649 120.200 0.023 0.000 2.325 214 E HA 0.514 4.864 4.350 -0.000 0.000 0.248 214 E C -1.532 175.068 176.600 0.001 0.000 0.912 214 E CA -0.399 56.005 56.400 0.006 0.000 0.782 214 E CB 1.364 31.067 29.700 0.005 0.000 1.264 214 E HN 0.592 nan 8.360 nan 0.000 0.417 215 L N 2.934 124.151 121.223 -0.009 0.000 2.317 215 L HA 0.467 4.807 4.340 -0.000 0.000 0.281 215 L C 0.036 176.893 176.870 -0.022 0.000 1.024 215 L CA -0.682 54.151 54.840 -0.011 0.000 0.810 215 L CB 1.590 43.640 42.059 -0.015 0.000 1.240 215 L HN 0.355 nan 8.230 nan 0.000 0.427 216 E N 1.767 121.953 120.200 -0.023 0.000 2.129 216 E HA 0.233 4.583 4.350 -0.000 0.000 0.268 216 E C -0.214 176.352 176.600 -0.057 0.000 0.900 216 E CA -0.369 56.010 56.400 -0.035 0.000 0.755 216 E CB 1.622 31.306 29.700 -0.026 0.000 1.117 216 E HN 0.649 nan 8.360 nan 0.000 0.410 217 S N 1.755 117.406 115.700 -0.080 0.000 3.635 217 S HA -0.103 4.367 4.470 -0.000 0.000 0.328 217 S C -2.221 172.256 174.600 -0.206 0.000 1.135 217 S CA 0.154 58.273 58.200 -0.135 0.000 0.942 217 S CB -0.948 62.173 63.200 -0.131 0.000 0.930 217 S HN 0.475 nan 8.310 nan 0.000 0.512 218 P HA 0.346 nan 4.420 nan 0.000 0.275 218 P C 0.201 177.404 177.300 -0.162 0.000 1.228 218 P CA -0.369 62.669 63.100 -0.103 0.000 0.786 218 P CB 0.319 32.004 31.700 -0.024 0.000 0.927 219 F N 1.288 121.237 119.950 -0.002 0.000 2.410 219 F HA 0.284 4.811 4.527 -0.000 0.000 0.334 219 F C 1.105 176.905 175.800 0.000 0.000 1.134 219 F CA 0.199 58.199 58.000 0.000 0.000 1.227 219 F CB 0.230 39.230 39.000 0.001 0.000 1.194 219 F HN 0.082 nan 8.300 nan 0.000 0.571 220 I N 3.835 124.524 120.570 0.197 0.000 2.439 220 I HA 0.201 4.371 4.170 -0.000 0.000 0.283 220 I C -1.090 175.085 176.117 0.097 0.000 1.023 220 I CA -0.809 60.559 61.300 0.113 0.000 1.100 220 I CB 1.549 39.597 38.000 0.080 0.000 1.238 220 I HN 0.280 nan 8.210 nan 0.000 0.445 221 L N 8.064 129.330 121.223 0.073 0.000 2.319 221 L HA 0.366 4.706 4.340 -0.000 0.000 0.280 221 L C -0.610 176.283 176.870 0.037 0.000 1.099 221 L CA 0.344 55.212 54.840 0.046 0.000 0.828 221 L CB 0.528 42.606 42.059 0.032 0.000 1.150 221 L HN 0.524 nan 8.230 nan 0.000 0.442 222 L N 6.748 127.987 121.223 0.027 0.000 2.709 222 L HA 0.518 4.858 4.340 -0.000 0.000 0.236 222 L C 0.185 177.058 176.870 0.004 0.000 1.266 222 L CA -0.286 54.562 54.840 0.014 0.000 0.987 222 L CB 0.471 42.536 42.059 0.010 0.000 1.306 222 L HN 0.806 nan 8.230 nan 0.000 0.467 223 A N 0.065 122.889 122.820 0.007 0.000 2.328 223 A HA 0.322 4.642 4.320 -0.000 0.000 0.284 223 A C -0.184 177.400 177.584 0.001 0.000 1.160 223 A CA -0.328 51.712 52.037 0.005 0.000 0.818 223 A CB 0.462 19.469 19.000 0.011 0.000 1.087 223 A HN 0.480 nan 8.150 nan 0.000 0.504 224 D N 1.799 122.198 120.400 -0.002 0.000 2.557 224 D HA 0.433 5.073 4.640 -0.000 0.000 0.236 224 D C -0.183 176.119 176.300 0.004 0.000 1.154 224 D CA -0.055 53.942 54.000 -0.004 0.000 0.985 224 D CB -0.479 40.316 40.800 -0.009 0.000 1.010 224 D HN 0.661 nan 8.370 nan 0.000 0.516 225 K N -0.270 120.135 120.400 0.009 0.000 2.772 225 K HA 0.269 4.589 4.320 -0.000 0.000 0.292 225 K C -1.413 175.200 176.600 0.020 0.000 1.049 225 K CA -1.126 55.169 56.287 0.014 0.000 0.846 225 K CB 0.595 33.102 32.500 0.012 0.000 1.514 225 K HN -0.146 nan 8.250 nan 0.000 0.373 226 K N 1.548 121.962 120.400 0.023 0.000 2.276 226 K HA 0.340 4.660 4.320 -0.000 0.000 0.285 226 K C -0.518 176.099 176.600 0.029 0.000 1.062 226 K CA -0.393 55.911 56.287 0.029 0.000 0.918 226 K CB 0.603 33.121 32.500 0.029 0.000 1.055 226 K HN 0.371 nan 8.250 nan 0.000 0.477 227 I N 2.766 123.356 120.570 0.035 0.000 2.301 227 I HA 0.004 4.174 4.170 -0.000 0.000 0.292 227 I C 0.746 176.887 176.117 0.040 0.000 1.046 227 I CA 0.128 61.449 61.300 0.035 0.000 1.282 227 I CB 1.328 39.351 38.000 0.039 0.000 1.409 227 I HN 0.680 nan 8.210 nan 0.000 0.484 228 S N 4.063 119.783 115.700 0.033 0.000 2.566 228 S HA 0.188 4.658 4.470 -0.000 0.000 0.234 228 S C 0.625 175.243 174.600 0.030 0.000 1.075 228 S CA -0.007 58.212 58.200 0.032 0.000 0.926 228 S CB 0.273 63.488 63.200 0.025 0.000 0.811 228 S HN 0.610 nan 8.310 nan 0.000 0.518 229 N N 1.420 120.135 118.700 0.025 0.000 2.443 229 N HA 0.332 5.072 4.740 -0.000 0.000 0.295 229 N C 0.032 175.556 175.510 0.024 0.000 1.076 229 N CA -0.282 52.781 53.050 0.022 0.000 0.919 229 N CB 1.886 40.383 38.487 0.016 0.000 1.176 229 N HN 0.058 nan 8.380 nan 0.000 0.487 230 I N 1.711 122.295 120.570 0.024 0.000 3.111 230 I HA -0.090 4.080 4.170 -0.000 0.000 0.272 230 I C 2.002 178.128 176.117 0.016 0.000 1.268 230 I CA 0.572 61.886 61.300 0.024 0.000 1.467 230 I CB 0.102 38.117 38.000 0.026 0.000 1.087 230 I HN 0.457 nan 8.210 nan 0.000 0.467 231 R N 0.853 121.360 120.500 0.013 0.000 2.083 231 R HA -0.211 4.129 4.340 -0.000 0.000 0.237 231 R C 1.894 178.198 176.300 0.007 0.000 1.137 231 R CA 1.951 58.056 56.100 0.008 0.000 0.951 231 R CB -0.161 30.144 30.300 0.007 0.000 0.851 231 R HN 0.458 nan 8.270 nan 0.000 0.434 232 E N -0.218 119.987 120.200 0.009 0.000 2.209 232 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 232 E C 1.854 178.457 176.600 0.005 0.000 0.993 232 E CA 0.928 57.332 56.400 0.007 0.000 0.819 232 E CB -0.002 29.704 29.700 0.010 0.000 0.745 232 E HN 0.274 nan 8.360 nan 0.000 0.477 233 M N 0.120 119.725 119.600 0.009 0.000 2.193 233 M HA -0.021 4.459 4.480 -0.000 0.000 0.265 233 M C 2.300 178.600 176.300 -0.001 0.000 1.071 233 M CA 1.019 56.323 55.300 0.007 0.000 1.140 233 M CB -0.617 31.994 32.600 0.017 0.000 1.369 233 M HN 0.165 nan 8.290 nan 0.000 0.423 234 L N 0.537 121.760 121.223 0.000 0.000 2.189 234 L HA -0.202 4.138 4.340 -0.000 0.000 0.214 234 L C -0.370 176.492 176.870 -0.012 0.000 1.097 234 L CA 1.361 56.199 54.840 -0.004 0.000 0.764 234 L CB -2.052 40.006 42.059 -0.001 0.000 0.900 234 L HN 0.204 nan 8.230 nan 0.000 0.436 235 P HA -0.088 nan 4.420 nan 0.000 0.217 235 P C 1.830 179.106 177.300 -0.040 0.000 1.151 235 P CA 1.180 64.265 63.100 -0.025 0.000 0.828 235 P CB 0.161 31.847 31.700 -0.023 0.000 0.788 236 V N 0.219 120.110 119.914 -0.039 0.000 2.488 236 V HA -0.114 4.006 4.120 -0.000 0.000 0.246 236 V C 2.724 178.781 176.094 -0.061 0.000 1.046 236 V CA 1.149 63.413 62.300 -0.060 0.000 1.053 236 V CB -1.082 30.713 31.823 -0.047 0.000 0.679 236 V HN -0.007 nan 8.190 nan 0.000 0.458 237 L N -0.316 120.888 121.223 -0.031 0.000 2.362 237 L HA -0.134 4.205 4.340 -0.000 0.000 0.219 237 L C 2.418 179.274 176.870 -0.023 0.000 1.134 237 L CA 1.284 56.113 54.840 -0.018 0.000 0.807 237 L CB -0.254 41.806 42.059 0.003 0.000 0.927 237 L HN 0.419 nan 8.230 nan 0.000 0.447 238 E N -0.428 119.753 120.200 -0.032 0.000 2.140 238 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 238 E C 2.262 178.833 176.600 -0.047 0.000 0.973 238 E CA 0.768 57.150 56.400 -0.030 0.000 0.829 238 E CB 0.090 29.774 29.700 -0.026 0.000 0.781 238 E HN 0.453 nan 8.360 nan 0.000 0.466 239 A N 0.465 123.239 122.820 -0.078 0.000 1.929 239 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 239 A C 2.322 179.814 177.584 -0.153 0.000 1.176 239 A CA 0.830 52.797 52.037 -0.117 0.000 0.628 239 A CB -0.383 18.523 19.000 -0.156 0.000 0.816 239 A HN 0.129 nan 8.150 nan 0.000 0.444 240 V N -0.236 119.587 119.914 -0.153 0.000 2.379 240 V HA -0.181 3.939 4.120 -0.000 0.000 0.245 240 V C 3.026 179.115 176.094 -0.007 0.000 1.044 240 V CA 1.765 63.992 62.300 -0.120 0.000 1.036 240 V CB -0.973 30.807 31.823 -0.072 0.000 0.664 240 V HN 0.586 nan 8.190 nan 0.000 0.453 241 A N -0.745 122.072 122.820 -0.006 0.000 2.019 241 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 241 A C 2.275 179.868 177.584 0.015 0.000 1.164 241 A CA 1.760 53.806 52.037 0.014 0.000 0.644 241 A CB -0.358 18.647 19.000 0.008 0.000 0.805 241 A HN 0.528 nan 8.150 nan 0.000 0.449 242 K N -0.743 119.657 120.400 -0.000 0.000 2.186 242 K HA 0.126 4.446 4.320 -0.000 0.000 0.202 242 K C 1.881 178.497 176.600 0.026 0.000 1.052 242 K CA 0.770 57.060 56.287 0.005 0.000 0.965 242 K CB -0.110 32.383 32.500 -0.011 0.000 0.746 242 K HN 0.402 nan 8.250 nan 0.000 0.457 243 A N 0.751 123.595 122.820 0.041 0.000 2.235 243 A HA 0.123 4.443 4.320 -0.000 0.000 0.208 243 A C 1.191 178.855 177.584 0.133 0.000 1.172 243 A CA 0.729 52.834 52.037 0.112 0.000 0.786 243 A CB -0.573 18.549 19.000 0.204 0.000 0.804 243 A HN 0.388 nan 8.150 nan 0.000 0.479 244 G N -0.200 108.654 108.800 0.090 0.000 2.341 244 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.292 244 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.292 244 G C 0.070 175.025 174.900 0.091 0.000 1.021 244 G CA 1.033 46.177 45.100 0.074 0.000 0.905 244 G HN 0.613 nan 8.290 nan 0.000 0.508 245 K N 0.068 120.556 120.400 0.146 0.000 2.385 245 K HA 0.555 4.875 4.320 -0.000 0.000 0.248 245 K C -2.300 174.389 176.600 0.148 0.000 0.955 245 K CA -2.053 54.321 56.287 0.144 0.000 0.816 245 K CB 2.765 35.377 32.500 0.186 0.000 1.250 245 K HN 0.037 nan 8.250 nan 0.000 0.434 246 P HA 0.217 nan 4.420 nan 0.000 0.275 246 P C -1.237 176.135 177.300 0.120 0.000 1.266 246 P CA -0.568 62.581 63.100 0.082 0.000 0.793 246 P CB 0.650 32.373 31.700 0.039 0.000 1.074 247 L N 0.476 121.749 121.223 0.082 0.000 2.464 247 L HA 0.528 4.868 4.340 -0.000 0.000 0.266 247 L C -1.690 175.194 176.870 0.023 0.000 0.965 247 L CA -0.861 54.033 54.840 0.091 0.000 0.833 247 L CB 1.738 43.853 42.059 0.093 0.000 1.296 247 L HN 0.132 nan 8.230 nan 0.000 0.405 248 L N 5.940 127.180 121.223 0.028 0.000 2.272 248 L HA 0.614 4.954 4.340 -0.000 0.000 0.289 248 L C -0.903 175.975 176.870 0.013 0.000 1.032 248 L CA -0.239 54.596 54.840 -0.008 0.000 0.810 248 L CB 1.084 43.147 42.059 0.007 0.000 1.205 248 L HN 0.470 nan 8.230 nan 0.000 0.422 249 I N 6.864 127.426 120.570 -0.014 0.000 2.315 249 I HA 0.267 4.437 4.170 -0.000 0.000 0.291 249 I C -0.035 176.102 176.117 0.032 0.000 1.006 249 I CA -0.140 61.167 61.300 0.012 0.000 1.265 249 I CB 1.002 39.006 38.000 0.007 0.000 1.387 249 I HN 0.554 nan 8.210 nan 0.000 0.475 250 I N 5.899 126.497 120.570 0.047 0.000 2.621 250 I HA 0.436 4.606 4.170 -0.000 0.000 0.276 250 I C 0.360 176.491 176.117 0.024 0.000 1.118 250 I CA -0.135 61.200 61.300 0.059 0.000 1.159 250 I CB 0.999 39.046 38.000 0.078 0.000 1.357 250 I HN 0.671 nan 8.210 nan 0.000 0.513 251 A N 3.313 126.151 122.820 0.030 0.000 2.312 251 A HA 0.445 4.765 4.320 -0.000 0.000 0.310 251 A C 1.155 178.751 177.584 0.021 0.000 1.139 251 A CA -0.460 51.589 52.037 0.020 0.000 0.886 251 A CB 1.083 20.099 19.000 0.027 0.000 1.350 251 A HN 0.649 nan 8.150 nan 0.000 0.479 252 E N -0.744 119.468 120.200 0.019 0.000 2.097 252 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 252 E C -0.132 176.492 176.600 0.041 0.000 1.000 252 E CA 1.928 58.343 56.400 0.026 0.000 0.804 252 E CB 0.121 29.837 29.700 0.027 0.000 0.740 252 E HN 0.614 nan 8.360 nan 0.000 0.454 253 D N -2.233 118.194 120.400 0.045 0.000 2.710 253 D HA 0.245 4.885 4.640 -0.000 0.000 0.276 253 D C -1.918 174.418 176.300 0.061 0.000 1.267 253 D CA -0.521 53.513 54.000 0.057 0.000 0.772 253 D CB 2.018 42.850 40.800 0.053 0.000 1.299 253 D HN -0.106 nan 8.370 nan 0.000 0.421 254 V N 1.648 121.608 119.914 0.077 0.000 2.569 254 V HA 0.443 4.563 4.120 -0.000 0.000 0.301 254 V C -0.390 175.756 176.094 0.086 0.000 1.044 254 V CA -0.629 61.721 62.300 0.084 0.000 0.874 254 V CB 1.793 33.680 31.823 0.106 0.000 1.002 254 V HN 0.418 nan 8.190 nan 0.000 0.424 255 E N 2.190 122.431 120.200 0.068 0.000 2.227 255 E HA 0.602 4.952 4.350 -0.000 0.000 0.268 255 E C 1.070 177.702 176.600 0.052 0.000 0.907 255 E CA 0.104 56.538 56.400 0.057 0.000 0.786 255 E CB 2.211 31.937 29.700 0.044 0.000 1.191 255 E HN 0.813 nan 8.360 nan 0.000 0.411 256 G N 2.786 111.614 108.800 0.046 0.000 2.850 256 G HA2 -0.487 3.473 3.960 -0.000 0.000 0.353 256 G HA3 -0.487 3.473 3.960 -0.000 0.000 0.353 256 G C 1.201 176.123 174.900 0.036 0.000 0.983 256 G CA 1.272 46.394 45.100 0.037 0.000 0.832 256 G HN 0.718 nan 8.290 nan 0.000 0.889 257 E N 0.941 121.159 120.200 0.030 0.000 2.054 257 E HA -0.290 4.060 4.350 -0.000 0.000 0.225 257 E C 2.992 179.613 176.600 0.035 0.000 1.048 257 E CA 2.597 59.013 56.400 0.027 0.000 0.899 257 E CB -0.874 28.840 29.700 0.023 0.000 0.801 257 E HN 0.809 nan 8.360 nan 0.000 0.495 258 A N 0.734 123.579 122.820 0.043 0.000 1.978 258 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 258 A C 2.232 179.863 177.584 0.079 0.000 1.170 258 A CA 1.619 53.688 52.037 0.054 0.000 0.636 258 A CB -0.604 18.428 19.000 0.054 0.000 0.810 258 A HN 0.373 nan 8.150 nan 0.000 0.448 259 L N -0.253 121.020 121.223 0.085 0.000 1.973 259 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 259 L C 2.669 179.580 176.870 0.069 0.000 1.073 259 L CA 2.358 57.266 54.840 0.114 0.000 0.746 259 L CB -0.902 41.223 42.059 0.109 0.000 0.891 259 L HN 0.296 nan 8.230 nan 0.000 0.433 260 A N -1.762 121.080 122.820 0.037 0.000 2.131 260 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 260 A C 2.123 179.704 177.584 -0.004 0.000 1.158 260 A CA 2.060 54.100 52.037 0.005 0.000 0.665 260 A CB -1.116 17.887 19.000 0.005 0.000 0.795 260 A HN 0.603 nan 8.150 nan 0.000 0.460 261 T N 0.309 114.876 114.554 0.021 0.000 2.698 261 T HA -0.041 4.309 4.350 -0.000 0.000 0.260 261 T C 1.807 176.529 174.700 0.037 0.000 1.044 261 T CA 1.335 63.448 62.100 0.022 0.000 1.149 261 T CB -0.398 68.489 68.868 0.032 0.000 0.864 261 T HN 0.359 nan 8.240 nan 0.000 0.419 262 L N 1.076 122.350 121.223 0.086 0.000 2.127 262 L HA -0.105 4.235 4.340 -0.000 0.000 0.211 262 L C 2.648 179.595 176.870 0.129 0.000 1.089 262 L CA 0.666 55.597 54.840 0.152 0.000 0.757 262 L CB -0.752 41.463 42.059 0.259 0.000 0.899 262 L HN 0.140 nan 8.230 nan 0.000 0.434 263 V N -0.598 119.313 119.914 -0.005 0.000 2.233 263 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 263 V C 2.261 178.277 176.094 -0.130 0.000 1.050 263 V CA 1.866 64.054 62.300 -0.186 0.000 1.010 263 V CB -0.403 31.300 31.823 -0.199 0.000 0.637 263 V HN 0.233 nan 8.190 nan 0.000 0.444 264 V N 0.202 120.056 119.914 -0.100 0.000 3.141 264 V HA -0.160 3.960 4.120 -0.000 0.000 0.265 264 V C 1.909 177.972 176.094 -0.051 0.000 1.126 264 V CA 1.664 63.904 62.300 -0.100 0.000 1.141 264 V CB -1.246 30.523 31.823 -0.090 0.000 0.743 264 V HN 0.595 nan 8.190 nan 0.000 0.492 265 N N 0.307 119.001 118.700 -0.011 0.000 2.416 265 N HA -0.099 4.641 4.740 -0.000 0.000 0.177 265 N C 1.885 177.413 175.510 0.030 0.000 1.036 265 N CA 1.342 54.402 53.050 0.017 0.000 0.901 265 N CB 0.241 38.754 38.487 0.043 0.000 0.976 265 N HN 0.651 nan 8.380 nan 0.000 0.444 266 T N -2.327 112.252 114.554 0.043 0.000 3.022 266 T HA 0.130 4.480 4.350 -0.000 0.000 0.250 266 T C 1.637 176.341 174.700 0.006 0.000 1.060 266 T CA -0.129 62.006 62.100 0.058 0.000 1.013 266 T CB 0.159 69.119 68.868 0.154 0.000 0.982 266 T HN -0.086 nan 8.240 nan 0.000 0.508 267 M N 2.235 121.807 119.600 -0.048 0.000 2.067 267 M HA 0.151 4.631 4.480 -0.000 0.000 0.260 267 M C 2.113 178.375 176.300 -0.063 0.000 1.069 267 M CA 1.682 56.926 55.300 -0.092 0.000 1.117 267 M CB -0.167 32.332 32.600 -0.167 0.000 1.334 267 M HN 0.179 nan 8.290 nan 0.000 0.407 268 R N -0.403 120.067 120.500 -0.050 0.000 2.310 268 R HA 0.342 4.682 4.340 -0.000 0.000 0.202 268 R C 0.834 177.123 176.300 -0.019 0.000 0.933 268 R CA 0.540 56.618 56.100 -0.037 0.000 1.054 268 R CB -0.512 29.767 30.300 -0.035 0.000 0.985 268 R HN 0.560 nan 8.270 nan 0.000 0.489 269 G N 1.785 110.581 108.800 -0.007 0.000 2.314 269 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.292 269 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.292 269 G C 0.524 175.430 174.900 0.010 0.000 1.059 269 G CA 0.261 45.365 45.100 0.007 0.000 0.982 269 G HN 0.374 nan 8.290 nan 0.000 0.505 270 I N -1.368 119.210 120.570 0.012 0.000 2.296 270 I HA 0.064 4.234 4.170 -0.000 0.000 0.242 270 I C 0.892 177.023 176.117 0.022 0.000 1.087 270 I CA 1.100 62.407 61.300 0.013 0.000 1.393 270 I CB 0.005 38.010 38.000 0.008 0.000 1.093 270 I HN 0.133 nan 8.210 nan 0.000 0.421 271 V N 0.796 120.730 119.914 0.033 0.000 2.577 271 V HA 0.315 4.435 4.120 -0.000 0.000 0.303 271 V C -0.653 175.477 176.094 0.060 0.000 1.042 271 V CA -1.154 61.172 62.300 0.043 0.000 0.872 271 V CB 1.455 33.303 31.823 0.042 0.000 0.998 271 V HN 0.050 nan 8.190 nan 0.000 0.423 272 K N 2.792 123.228 120.400 0.059 0.000 2.379 272 K HA 0.642 4.962 4.320 -0.000 0.000 0.284 272 K C -0.620 176.024 176.600 0.072 0.000 1.044 272 K CA 0.172 56.503 56.287 0.073 0.000 0.974 272 K CB 1.129 33.663 32.500 0.057 0.000 0.962 272 K HN 0.571 nan 8.250 nan 0.000 0.474 273 V N 1.203 121.174 119.914 0.095 0.000 3.087 273 V HA 0.834 4.954 4.120 -0.000 0.000 0.306 273 V C -1.233 174.789 176.094 -0.120 0.000 1.187 273 V CA -1.038 61.282 62.300 0.033 0.000 0.999 273 V CB 2.210 34.081 31.823 0.080 0.000 1.049 273 V HN 0.804 nan 8.190 nan 0.000 0.431 274 A N 1.846 124.445 122.820 -0.367 0.000 2.549 274 A HA 1.020 5.340 4.320 -0.000 0.000 0.297 274 A C -0.872 176.330 177.584 -0.636 0.000 1.061 274 A CA -0.069 51.379 52.037 -0.981 0.000 0.690 274 A CB 1.959 20.592 19.000 -0.611 0.000 1.287 274 A HN 1.864 nan 8.150 nan 0.000 0.402 275 A N 0.649 123.018 122.820 -0.751 0.000 2.414 275 A HA 0.882 5.202 4.320 -0.000 0.000 0.306 275 A C -0.541 177.010 177.584 -0.055 0.000 1.054 275 A CA -0.116 51.792 52.037 -0.215 0.000 0.724 275 A CB 1.450 20.422 19.000 -0.047 0.000 1.267 275 A HN 2.308 nan 8.150 nan 0.000 0.418 276 V N -0.719 119.217 119.914 0.036 0.000 2.888 276 V HA 0.585 4.705 4.120 -0.000 0.000 0.309 276 V C -0.415 175.757 176.094 0.130 0.000 1.114 276 V CA -1.275 61.090 62.300 0.107 0.000 0.940 276 V CB 1.336 33.233 31.823 0.124 0.000 1.021 276 V HN 0.903 nan 8.190 nan 0.000 0.426 277 K N 1.955 122.432 120.400 0.128 0.000 2.397 277 K HA 0.527 4.847 4.320 -0.000 0.000 0.265 277 K C 0.571 177.230 176.600 0.098 0.000 0.982 277 K CA 0.519 56.867 56.287 0.101 0.000 0.931 277 K CB 0.671 33.226 32.500 0.091 0.000 0.943 277 K HN 1.132 nan 8.250 nan 0.000 0.501 278 A N 3.352 126.181 122.820 0.016 0.000 2.332 278 A HA 0.291 4.611 4.320 -0.000 0.000 0.258 278 A C -2.120 175.384 177.584 -0.132 0.000 1.087 278 A CA -1.273 50.696 52.037 -0.113 0.000 0.802 278 A CB -0.200 18.737 19.000 -0.104 0.000 1.042 278 A HN 0.476 nan 8.150 nan 0.000 0.489 279 P HA 0.388 nan 4.420 nan 0.000 0.275 279 P C 0.583 177.839 177.300 -0.074 0.000 1.227 279 P CA 1.403 64.377 63.100 -0.210 0.000 0.781 279 P CB 0.583 32.019 31.700 -0.442 0.000 0.906 280 G N 2.286 111.114 108.800 0.046 0.000 2.894 280 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.247 280 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.247 280 G C -0.849 174.156 174.900 0.175 0.000 1.442 280 G CA -0.128 45.033 45.100 0.101 0.000 0.897 280 G HN 0.699 nan 8.290 nan 0.000 0.550 281 F N -1.496 118.457 119.950 0.005 0.000 2.588 281 F HA 0.816 5.343 4.527 -0.000 0.000 0.310 281 F C 1.001 176.808 175.800 0.011 0.000 1.082 281 F CA 0.071 58.076 58.000 0.007 0.000 0.929 281 F CB 1.293 40.303 39.000 0.016 0.000 1.254 281 F HN 2.370 nan 8.300 nan 0.000 0.455 282 G N 2.171 111.028 108.800 0.096 0.000 2.543 282 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.286 282 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.286 282 G C 0.370 175.240 174.900 -0.049 0.000 1.153 282 G CA 0.679 45.797 45.100 0.029 0.000 0.968 282 G HN 0.739 nan 8.290 nan 0.000 0.544 283 D N 1.293 121.641 120.400 -0.086 0.000 2.084 283 D HA -0.020 4.620 4.640 -0.000 0.000 0.196 283 D C 2.528 178.770 176.300 -0.097 0.000 0.985 283 D CA 1.667 55.623 54.000 -0.073 0.000 0.826 283 D CB -0.324 40.441 40.800 -0.059 0.000 0.978 283 D HN 0.678 nan 8.370 nan 0.000 0.456 284 R N 0.749 121.157 120.500 -0.154 0.000 2.339 284 R HA 0.142 4.481 4.340 -0.000 0.000 0.199 284 R C 1.966 178.186 176.300 -0.133 0.000 1.018 284 R CA 0.219 56.232 56.100 -0.144 0.000 1.036 284 R CB -0.204 29.996 30.300 -0.167 0.000 0.899 284 R HN 0.099 nan 8.270 nan 0.000 0.473 285 R N 2.236 122.665 120.500 -0.119 0.000 2.062 285 R HA -0.059 4.281 4.340 -0.000 0.000 0.229 285 R C 1.238 177.492 176.300 -0.077 0.000 1.128 285 R CA 1.394 57.442 56.100 -0.086 0.000 0.960 285 R CB 0.053 30.328 30.300 -0.042 0.000 0.855 285 R HN 0.164 nan 8.270 nan 0.000 0.432 286 K N 0.259 120.623 120.400 -0.061 0.000 2.097 286 K HA -0.017 4.303 4.320 -0.000 0.000 0.205 286 K C 2.145 178.712 176.600 -0.054 0.000 1.050 286 K CA 1.257 57.515 56.287 -0.049 0.000 0.938 286 K CB -0.116 32.363 32.500 -0.035 0.000 0.718 286 K HN 0.233 nan 8.250 nan 0.000 0.442 287 A N 1.379 124.163 122.820 -0.059 0.000 1.877 287 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 287 A C 2.147 179.691 177.584 -0.067 0.000 1.186 287 A CA 1.547 53.549 52.037 -0.057 0.000 0.620 287 A CB -0.442 18.522 19.000 -0.059 0.000 0.822 287 A HN 0.174 nan 8.150 nan 0.000 0.443 288 M N -1.092 118.456 119.600 -0.086 0.000 2.175 288 M HA -0.024 4.456 4.480 -0.000 0.000 0.264 288 M C 2.249 178.472 176.300 -0.128 0.000 1.063 288 M CA 1.086 56.322 55.300 -0.107 0.000 1.119 288 M CB -0.360 32.161 32.600 -0.131 0.000 1.377 288 M HN 0.485 nan 8.290 nan 0.000 0.415 289 L N 0.007 121.157 121.223 -0.121 0.000 2.056 289 L HA -0.239 4.101 4.340 -0.000 0.000 0.207 289 L C 2.584 179.411 176.870 -0.072 0.000 1.078 289 L CA 1.317 56.089 54.840 -0.114 0.000 0.749 289 L CB -0.278 41.727 42.059 -0.090 0.000 0.901 289 L HN 0.277 nan 8.230 nan 0.000 0.433 290 Q N 0.305 120.071 119.800 -0.056 0.000 2.181 290 Q HA -0.249 4.091 4.340 -0.000 0.000 0.205 290 Q C 1.594 177.574 176.000 -0.032 0.000 0.980 290 Q CA 1.978 57.759 55.803 -0.037 0.000 0.862 290 Q CB -0.248 28.470 28.738 -0.032 0.000 0.905 290 Q HN 0.452 nan 8.270 nan 0.000 0.429 291 D N -0.587 119.789 120.400 -0.041 0.000 2.144 291 D HA -0.107 4.533 4.640 -0.000 0.000 0.199 291 D C 1.739 178.029 176.300 -0.017 0.000 0.984 291 D CA 1.131 55.113 54.000 -0.030 0.000 0.834 291 D CB -0.105 40.674 40.800 -0.036 0.000 0.955 291 D HN 0.384 nan 8.370 nan 0.000 0.465 292 I N 0.669 121.224 120.570 -0.026 0.000 2.439 292 I HA -0.163 4.007 4.170 -0.000 0.000 0.251 292 I C 2.388 178.510 176.117 0.010 0.000 1.139 292 I CA 0.543 61.845 61.300 0.002 0.000 1.438 292 I CB -0.302 37.694 38.000 -0.008 0.000 1.085 292 I HN -0.081 nan 8.210 nan 0.000 0.427 293 A N 1.528 124.346 122.820 -0.003 0.000 1.842 293 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 293 A C 2.421 180.009 177.584 0.008 0.000 1.206 293 A CA 2.951 54.991 52.037 0.005 0.000 0.630 293 A CB -1.381 17.617 19.000 -0.003 0.000 0.839 293 A HN 0.396 nan 8.150 nan 0.000 0.447 294 T N 0.486 115.041 114.554 0.001 0.000 2.685 294 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 294 T C 1.791 176.495 174.700 0.006 0.000 1.034 294 T CA 1.437 63.538 62.100 0.002 0.000 1.149 294 T CB -0.407 68.459 68.868 -0.003 0.000 0.860 294 T HN 0.296 nan 8.240 nan 0.000 0.449 295 L N 1.607 122.836 121.223 0.009 0.000 2.056 295 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 295 L C 2.321 179.200 176.870 0.014 0.000 1.078 295 L CA 2.269 57.117 54.840 0.013 0.000 0.749 295 L CB -1.118 40.955 42.059 0.022 0.000 0.901 295 L HN 0.498 nan 8.230 nan 0.000 0.433 296 T N -4.196 110.370 114.554 0.019 0.000 3.134 296 T HA 0.257 4.607 4.350 -0.000 0.000 0.260 296 T C 1.182 175.895 174.700 0.022 0.000 1.027 296 T CA 0.276 62.387 62.100 0.019 0.000 0.913 296 T CB -0.041 68.845 68.868 0.029 0.000 1.046 296 T HN 0.483 nan 8.240 nan 0.000 0.553 297 G N 0.783 109.594 108.800 0.019 0.000 2.356 297 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.296 297 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.296 297 G C 0.378 175.297 174.900 0.032 0.000 1.022 297 G CA -0.098 45.015 45.100 0.021 0.000 0.961 297 G HN 1.040 nan 8.290 nan 0.000 0.510 298 G N -1.432 107.387 108.800 0.032 0.000 2.491 298 G HA2 0.709 4.669 3.960 -0.000 0.000 0.327 298 G HA3 0.709 4.669 3.960 -0.000 0.000 0.327 298 G C -0.171 174.743 174.900 0.023 0.000 1.189 298 G CA 0.097 45.220 45.100 0.037 0.000 0.956 298 G HN 0.504 nan 8.290 nan 0.000 0.491 299 T N 0.359 114.926 114.554 0.021 0.000 2.795 299 T HA 0.404 4.754 4.350 -0.000 0.000 0.282 299 T C 0.132 174.836 174.700 0.008 0.000 0.980 299 T CA -0.280 61.827 62.100 0.011 0.000 1.012 299 T CB 1.673 70.546 68.868 0.009 0.000 0.936 299 T HN 0.278 nan 8.240 nan 0.000 0.457 300 V N 4.765 124.680 119.914 0.001 0.000 2.488 300 V HA 0.266 4.386 4.120 -0.000 0.000 0.277 300 V C 0.447 176.539 176.094 -0.002 0.000 1.046 300 V CA -0.439 61.859 62.300 -0.003 0.000 0.986 300 V CB 0.619 32.435 31.823 -0.011 0.000 0.989 300 V HN 0.785 nan 8.190 nan 0.000 0.475 301 I N 5.077 125.646 120.570 -0.001 0.000 2.268 301 I HA 0.192 4.362 4.170 -0.000 0.000 0.290 301 I C 0.294 176.411 176.117 -0.001 0.000 1.125 301 I CA 0.076 61.376 61.300 -0.001 0.000 1.236 301 I CB 0.385 38.385 38.000 0.001 0.000 1.469 301 I HN 0.612 nan 8.210 nan 0.000 0.512 302 S N 3.660 119.358 115.700 -0.003 0.000 2.422 302 S HA 0.247 4.717 4.470 -0.000 0.000 0.298 302 S C 0.898 175.498 174.600 -0.001 0.000 1.118 302 S CA -0.810 57.389 58.200 -0.003 0.000 1.083 302 S CB 1.699 64.896 63.200 -0.005 0.000 0.971 302 S HN 0.532 nan 8.310 nan 0.000 0.478 303 E N 2.071 122.271 120.200 0.001 0.000 2.273 303 E HA -0.201 4.149 4.350 -0.000 0.000 0.198 303 E C 0.737 177.338 176.600 0.002 0.000 1.002 303 E CA 1.110 57.511 56.400 0.002 0.000 0.828 303 E CB 0.011 29.713 29.700 0.005 0.000 0.747 303 E HN 0.794 nan 8.360 nan 0.000 0.491 304 E N -0.424 119.777 120.200 0.001 0.000 2.494 304 E HA -0.025 4.325 4.350 -0.000 0.000 0.193 304 E C 1.118 177.718 176.600 -0.001 0.000 1.074 304 E CA 0.271 56.672 56.400 0.000 0.000 0.867 304 E CB 0.213 29.913 29.700 -0.000 0.000 0.924 304 E HN 0.337 nan 8.360 nan 0.000 0.502 305 I N -1.263 119.306 120.570 -0.001 0.000 4.327 305 I HA 0.271 4.441 4.170 -0.000 0.000 0.331 305 I C 1.009 177.126 176.117 -0.001 0.000 1.348 305 I CA -0.108 61.191 61.300 -0.001 0.000 1.152 305 I CB 1.191 39.190 38.000 -0.002 0.000 1.151 305 I HN 0.109 nan 8.210 nan 0.000 0.410 306 G N 2.361 111.160 108.800 -0.000 0.000 2.167 306 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.194 306 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.194 306 G C -0.078 174.822 174.900 -0.001 0.000 1.027 306 G CA -0.384 44.716 45.100 -0.000 0.000 0.717 306 G HN 0.259 nan 8.290 nan 0.000 0.501 307 M N 0.594 120.194 119.600 -0.001 0.000 2.125 307 M HA 0.601 5.081 4.480 -0.000 0.000 0.321 307 M C -0.023 176.277 176.300 -0.000 0.000 0.983 307 M CA -0.663 54.636 55.300 -0.001 0.000 0.934 307 M CB 1.533 34.132 32.600 -0.002 0.000 1.542 307 M HN 0.176 nan 8.290 nan 0.000 0.424 308 E N 2.237 122.436 120.200 -0.001 0.000 2.312 308 E HA 0.318 4.668 4.350 -0.000 0.000 0.259 308 E C 0.357 176.956 176.600 -0.002 0.000 1.122 308 E CA -0.606 55.794 56.400 -0.000 0.000 0.922 308 E CB 1.435 31.135 29.700 -0.000 0.000 1.109 308 E HN 0.694 nan 8.360 nan 0.000 0.442 309 L N 0.942 122.164 121.223 -0.000 0.000 2.478 309 L HA -0.075 4.265 4.340 -0.000 0.000 0.223 309 L C 1.523 178.389 176.870 -0.007 0.000 1.140 309 L CA 0.672 55.511 54.840 -0.003 0.000 0.842 309 L CB -0.334 41.726 42.059 0.001 0.000 0.953 309 L HN 0.512 nan 8.230 nan 0.000 0.452 310 E N 0.964 121.161 120.200 -0.005 0.000 2.204 310 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 310 E C 0.322 176.916 176.600 -0.011 0.000 0.989 310 E CA 0.881 57.277 56.400 -0.007 0.000 0.824 310 E CB 0.047 29.744 29.700 -0.005 0.000 0.756 310 E HN 0.356 nan 8.360 nan 0.000 0.477 311 K N 0.574 120.968 120.400 -0.010 0.000 2.385 311 K HA 0.580 4.900 4.320 -0.000 0.000 0.229 311 K C -1.058 175.533 176.600 -0.014 0.000 1.089 311 K CA -0.231 56.049 56.287 -0.011 0.000 1.060 311 K CB 1.481 33.977 32.500 -0.008 0.000 1.698 311 K HN -0.043 nan 8.250 nan 0.000 0.469 312 A N 1.281 124.089 122.820 -0.020 0.000 2.497 312 A HA 0.445 4.765 4.320 -0.000 0.000 0.280 312 A C -0.240 177.319 177.584 -0.042 0.000 1.065 312 A CA -0.801 51.221 52.037 -0.025 0.000 0.781 312 A CB 0.650 19.637 19.000 -0.021 0.000 1.289 312 A HN 0.418 nan 8.150 nan 0.000 0.415 313 T N 0.166 114.692 114.554 -0.046 0.000 2.923 313 T HA 0.575 4.925 4.350 -0.000 0.000 0.281 313 T C 1.431 176.075 174.700 -0.093 0.000 0.995 313 T CA -0.676 61.382 62.100 -0.070 0.000 0.985 313 T CB 0.493 69.327 68.868 -0.056 0.000 1.114 313 T HN 0.377 nan 8.240 nan 0.000 0.548 314 L N 0.055 121.186 121.223 -0.153 0.000 2.064 314 L HA -0.194 4.146 4.340 -0.000 0.000 0.216 314 L C 2.960 179.782 176.870 -0.079 0.000 1.077 314 L CA 1.959 56.657 54.840 -0.237 0.000 0.766 314 L CB -0.721 41.138 42.059 -0.334 0.000 0.890 314 L HN 0.873 nan 8.230 nan 0.000 0.435 315 E N -0.170 120.011 120.200 -0.032 0.000 2.284 315 E HA -0.270 4.080 4.350 -0.000 0.000 0.200 315 E C 1.409 178.021 176.600 0.021 0.000 1.008 315 E CA 1.348 57.756 56.400 0.013 0.000 0.829 315 E CB 0.093 29.796 29.700 0.004 0.000 0.744 315 E HN 0.518 nan 8.360 nan 0.000 0.491 316 D N -0.462 119.940 120.400 0.004 0.000 2.240 316 D HA -0.037 4.603 4.640 -0.000 0.000 0.206 316 D C 0.155 176.475 176.300 0.034 0.000 0.963 316 D CA 0.154 54.161 54.000 0.012 0.000 0.863 316 D CB 0.122 40.920 40.800 -0.003 0.000 0.973 316 D HN 0.093 nan 8.370 nan 0.000 0.501 317 L N 1.466 122.716 121.223 0.044 0.000 2.453 317 L HA 0.218 4.558 4.340 -0.000 0.000 0.272 317 L C 1.507 178.467 176.870 0.150 0.000 1.182 317 L CA 0.098 54.998 54.840 0.099 0.000 0.858 317 L CB 0.265 42.397 42.059 0.123 0.000 1.120 317 L HN -0.133 nan 8.230 nan 0.000 0.474 318 G N 2.387 111.258 108.800 0.118 0.000 2.653 318 G HA2 0.390 4.350 3.960 -0.000 0.000 0.265 318 G HA3 0.390 4.350 3.960 -0.000 0.000 0.265 318 G C -0.719 174.244 174.900 0.105 0.000 1.237 318 G CA -0.248 44.908 45.100 0.094 0.000 0.946 318 G HN 0.597 nan 8.290 nan 0.000 0.522 319 Q N -1.593 118.227 119.800 0.033 0.000 2.327 319 Q HA 0.538 4.878 4.340 -0.000 0.000 0.265 319 Q C -1.216 174.750 176.000 -0.056 0.000 0.993 319 Q CA -0.666 55.105 55.803 -0.052 0.000 0.885 319 Q CB 1.962 30.633 28.738 -0.112 0.000 1.379 319 Q HN 0.949 nan 8.270 nan 0.000 0.408 320 A N 2.583 125.356 122.820 -0.077 0.000 2.556 320 A HA 0.472 4.792 4.320 -0.000 0.000 0.294 320 A C -0.449 177.089 177.584 -0.077 0.000 1.091 320 A CA -0.602 51.401 52.037 -0.058 0.000 0.704 320 A CB 1.752 20.735 19.000 -0.029 0.000 1.300 320 A HN 0.800 nan 8.150 nan 0.000 0.406 321 K N -0.604 119.759 120.400 -0.062 0.000 2.366 321 K HA 0.081 4.401 4.320 -0.000 0.000 0.198 321 K C 0.482 177.049 176.600 -0.056 0.000 1.044 321 K CA 0.980 57.229 56.287 -0.064 0.000 0.973 321 K CB 0.116 32.586 32.500 -0.050 0.000 0.767 321 K HN 0.565 nan 8.250 nan 0.000 0.475 322 R N -0.750 119.721 120.500 -0.048 0.000 2.664 322 R HA 0.223 4.563 4.340 -0.000 0.000 0.266 322 R C -2.010 174.266 176.300 -0.040 0.000 1.046 322 R CA -0.653 55.422 56.100 -0.042 0.000 0.885 322 R CB 2.017 32.295 30.300 -0.037 0.000 1.254 322 R HN -0.079 nan 8.270 nan 0.000 0.465 323 V N -0.759 119.132 119.914 -0.039 0.000 2.932 323 V HA 0.794 4.914 4.120 -0.000 0.000 0.307 323 V C -1.377 174.691 176.094 -0.043 0.000 1.147 323 V CA -0.798 61.475 62.300 -0.045 0.000 0.951 323 V CB 2.160 33.959 31.823 -0.041 0.000 1.031 323 V HN 0.407 nan 8.190 nan 0.000 0.426 324 V N 5.479 125.359 119.914 -0.058 0.000 2.525 324 V HA 0.610 4.730 4.120 -0.000 0.000 0.299 324 V C -0.308 175.753 176.094 -0.055 0.000 1.034 324 V CA -0.329 61.946 62.300 -0.042 0.000 0.863 324 V CB 1.636 33.434 31.823 -0.041 0.000 0.999 324 V HN 0.985 nan 8.190 nan 0.000 0.423 325 I N 1.574 122.139 120.570 -0.009 0.000 2.646 325 I HA 0.742 4.912 4.170 -0.000 0.000 0.299 325 I C -0.832 175.335 176.117 0.084 0.000 1.036 325 I CA -0.595 60.705 61.300 -0.001 0.000 1.074 325 I CB 2.445 40.454 38.000 0.014 0.000 1.258 325 I HN 0.389 nan 8.210 nan 0.000 0.430 326 N N 3.171 121.864 118.700 -0.013 0.000 2.592 326 N HA 0.303 5.043 4.740 -0.000 0.000 0.292 326 N C 0.659 175.909 175.510 -0.433 0.000 1.260 326 N CA -0.781 52.240 53.050 -0.048 0.000 0.910 326 N CB 1.437 39.873 38.487 -0.086 0.000 1.257 326 N HN 0.678 nan 8.380 nan 0.000 0.569 327 K N -0.037 120.094 120.400 -0.450 0.000 2.117 327 K HA -0.257 4.063 4.320 -0.000 0.000 0.215 327 K C -0.406 175.881 176.600 -0.522 0.000 1.053 327 K CA 2.687 58.582 56.287 -0.653 0.000 0.935 327 K CB -0.006 32.373 32.500 -0.200 0.000 0.719 327 K HN 0.722 nan 8.250 nan 0.000 0.460 328 D N -2.431 117.797 120.400 -0.286 0.000 2.615 328 D HA 0.088 4.728 4.640 -0.000 0.000 0.274 328 D C -0.956 175.272 176.300 -0.121 0.000 1.512 328 D CA -0.423 53.474 54.000 -0.171 0.000 0.803 328 D CB 0.803 41.542 40.800 -0.101 0.000 1.182 328 D HN -0.063 nan 8.370 nan 0.000 0.473 329 T N -0.153 114.313 114.554 -0.147 0.000 2.881 329 T HA 0.622 4.972 4.350 -0.000 0.000 0.290 329 T C -0.654 173.903 174.700 -0.237 0.000 1.000 329 T CA -0.554 61.449 62.100 -0.161 0.000 0.978 329 T CB 2.118 70.914 68.868 -0.120 0.000 0.997 329 T HN -0.147 nan 8.240 nan 0.000 0.443 330 T N 2.463 116.754 114.554 -0.439 0.000 2.779 330 T HA 0.655 5.005 4.350 -0.000 0.000 0.280 330 T C -0.173 174.170 174.700 -0.595 0.000 0.987 330 T CA -0.552 61.201 62.100 -0.578 0.000 0.966 330 T CB 1.357 69.668 68.868 -0.928 0.000 0.933 330 T HN 0.717 nan 8.240 nan 0.000 0.442 331 T N 3.545 117.904 114.554 -0.327 0.000 2.881 331 T HA 0.638 4.988 4.350 -0.000 0.000 0.291 331 T C -0.732 173.892 174.700 -0.128 0.000 0.990 331 T CA -0.693 61.280 62.100 -0.212 0.000 0.976 331 T CB 0.120 68.903 68.868 -0.141 0.000 0.970 331 T HN 0.469 nan 8.240 nan 0.000 0.438 332 I N 5.865 126.387 120.570 -0.080 0.000 2.321 332 I HA 0.461 4.631 4.170 -0.000 0.000 0.291 332 I C -0.320 175.783 176.117 -0.023 0.000 0.998 332 I CA -0.876 60.406 61.300 -0.031 0.000 1.227 332 I CB 1.415 39.431 38.000 0.026 0.000 1.368 332 I HN 0.593 nan 8.210 nan 0.000 0.466 333 I N 6.055 126.608 120.570 -0.029 0.000 2.355 333 I HA 0.266 4.436 4.170 -0.000 0.000 0.288 333 I C -0.548 175.554 176.117 -0.025 0.000 0.999 333 I CA -0.443 60.840 61.300 -0.027 0.000 1.163 333 I CB 1.199 39.179 38.000 -0.033 0.000 1.316 333 I HN 0.565 nan 8.210 nan 0.000 0.454 334 D N 5.153 125.541 120.400 -0.020 0.000 4.044 334 D HA -0.117 4.523 4.640 -0.000 0.000 0.242 334 D C -0.049 176.239 176.300 -0.021 0.000 1.076 334 D CA 0.836 54.824 54.000 -0.020 0.000 1.171 334 D CB -0.163 40.621 40.800 -0.025 0.000 0.866 334 D HN 0.808 nan 8.370 nan 0.000 0.413 335 G N 1.422 110.215 108.800 -0.012 0.000 2.372 335 G HA2 0.452 4.412 3.960 -0.000 0.000 0.283 335 G HA3 0.452 4.412 3.960 -0.000 0.000 0.283 335 G C 1.411 176.304 174.900 -0.012 0.000 1.177 335 G CA -0.306 44.788 45.100 -0.010 0.000 0.842 335 G HN 0.366 nan 8.290 nan 0.000 0.503 336 V N 2.651 122.555 119.914 -0.017 0.000 2.809 336 V HA 0.012 4.132 4.120 -0.000 0.000 0.256 336 V C 2.149 178.240 176.094 -0.004 0.000 1.080 336 V CA 0.834 63.125 62.300 -0.016 0.000 1.102 336 V CB -1.260 30.548 31.823 -0.024 0.000 0.705 336 V HN 0.792 nan 8.190 nan 0.000 0.475 337 G N 1.281 110.081 108.800 0.001 0.000 2.178 337 G HA2 0.037 3.997 3.960 -0.000 0.000 0.244 337 G HA3 0.037 3.997 3.960 -0.000 0.000 0.244 337 G C -0.019 174.882 174.900 0.002 0.000 1.213 337 G CA -0.094 45.009 45.100 0.005 0.000 0.912 337 G HN 0.548 nan 8.290 nan 0.000 0.474 338 E N 1.655 121.856 120.200 0.002 0.000 2.373 338 E HA 0.071 4.421 4.350 -0.000 0.000 0.263 338 E C 0.812 177.412 176.600 -0.000 0.000 1.073 338 E CA -0.459 55.941 56.400 0.000 0.000 0.894 338 E CB 1.271 30.972 29.700 0.001 0.000 1.008 338 E HN 0.610 nan 8.360 nan 0.000 0.420 339 E N 1.149 121.348 120.200 -0.002 0.000 2.204 339 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 339 E C 1.845 178.444 176.600 -0.002 0.000 0.989 339 E CA 0.768 57.167 56.400 -0.002 0.000 0.824 339 E CB -0.068 29.630 29.700 -0.003 0.000 0.756 339 E HN 0.581 nan 8.360 nan 0.000 0.477 340 A N 1.961 124.781 122.820 -0.001 0.000 1.892 340 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 340 A C 2.431 180.014 177.584 -0.002 0.000 1.188 340 A CA 2.249 54.285 52.037 -0.001 0.000 0.631 340 A CB -0.563 18.437 19.000 -0.001 0.000 0.822 340 A HN 0.311 nan 8.150 nan 0.000 0.447 341 A N -0.604 122.216 122.820 -0.001 0.000 1.874 341 A HA 0.098 4.418 4.320 -0.000 0.000 0.214 341 A C 2.127 179.710 177.584 -0.002 0.000 1.189 341 A CA 1.227 53.263 52.037 -0.001 0.000 0.615 341 A CB -0.548 18.452 19.000 0.000 0.000 0.830 341 A HN 0.450 nan 8.150 nan 0.000 0.443 342 I N -0.632 119.937 120.570 -0.002 0.000 2.226 342 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 342 I C 2.768 178.883 176.117 -0.004 0.000 1.100 342 I CA 1.366 62.664 61.300 -0.002 0.000 1.374 342 I CB -0.192 37.807 38.000 -0.001 0.000 1.057 342 I HN 0.265 nan 8.210 nan 0.000 0.413 343 Q N 0.835 120.633 119.800 -0.004 0.000 2.046 343 Q HA -0.089 4.251 4.340 -0.000 0.000 0.200 343 Q C 2.266 178.263 176.000 -0.005 0.000 0.975 343 Q CA 1.837 57.638 55.803 -0.005 0.000 0.836 343 Q CB -1.021 27.715 28.738 -0.004 0.000 0.896 343 Q HN 0.514 nan 8.270 nan 0.000 0.428 344 G N 0.132 108.929 108.800 -0.005 0.000 2.469 344 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.219 344 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.219 344 G C 1.637 176.533 174.900 -0.007 0.000 1.150 344 G CA 1.168 46.265 45.100 -0.005 0.000 0.763 344 G HN 0.320 nan 8.290 nan 0.000 0.561 345 R N 0.006 120.502 120.500 -0.007 0.000 2.092 345 R HA 0.020 4.360 4.340 -0.000 0.000 0.231 345 R C 2.626 178.920 176.300 -0.011 0.000 1.119 345 R CA 1.310 57.404 56.100 -0.010 0.000 0.970 345 R CB -0.631 29.663 30.300 -0.010 0.000 0.864 345 R HN 0.226 nan 8.270 nan 0.000 0.440 346 V N 0.767 120.675 119.914 -0.010 0.000 2.407 346 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 346 V C 2.343 178.430 176.094 -0.011 0.000 1.055 346 V CA 1.881 64.174 62.300 -0.011 0.000 1.049 346 V CB -0.940 30.878 31.823 -0.009 0.000 0.662 346 V HN 0.525 nan 8.190 nan 0.000 0.455 347 A N -0.899 121.915 122.820 -0.010 0.000 1.972 347 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 347 A C 2.213 179.791 177.584 -0.010 0.000 1.169 347 A CA 1.761 53.793 52.037 -0.009 0.000 0.635 347 A CB -0.384 18.612 19.000 -0.007 0.000 0.810 347 A HN 0.624 nan 8.150 nan 0.000 0.446 348 Q N -0.458 119.335 119.800 -0.011 0.000 1.990 348 Q HA -0.086 4.254 4.340 -0.000 0.000 0.200 348 Q C 2.074 178.065 176.000 -0.015 0.000 0.980 348 Q CA 1.619 57.415 55.803 -0.012 0.000 0.832 348 Q CB -0.304 28.426 28.738 -0.013 0.000 0.897 348 Q HN 0.721 nan 8.270 nan 0.000 0.427 349 I N 0.280 120.840 120.570 -0.017 0.000 2.286 349 I HA -0.284 3.886 4.170 -0.000 0.000 0.248 349 I C 2.472 178.577 176.117 -0.020 0.000 1.115 349 I CA 0.873 62.160 61.300 -0.022 0.000 1.392 349 I CB -0.249 37.736 38.000 -0.024 0.000 1.065 349 I HN 0.150 nan 8.210 nan 0.000 0.418 350 R N 0.977 121.467 120.500 -0.017 0.000 2.115 350 R HA -0.250 4.090 4.340 -0.000 0.000 0.239 350 R C 2.364 178.655 176.300 -0.015 0.000 1.133 350 R CA 1.985 58.076 56.100 -0.015 0.000 0.935 350 R CB -0.370 29.923 30.300 -0.012 0.000 0.853 350 R HN 0.377 nan 8.270 nan 0.000 0.433 351 Q N -0.367 119.425 119.800 -0.013 0.000 2.135 351 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 351 Q C 2.114 178.106 176.000 -0.013 0.000 0.981 351 Q CA 1.620 57.416 55.803 -0.011 0.000 0.856 351 Q CB -0.012 28.720 28.738 -0.010 0.000 0.902 351 Q HN 0.531 nan 8.270 nan 0.000 0.425 352 Q N 0.095 119.885 119.800 -0.016 0.000 2.234 352 Q HA -0.163 4.177 4.340 -0.000 0.000 0.206 352 Q C 2.026 178.015 176.000 -0.018 0.000 0.980 352 Q CA 1.014 56.806 55.803 -0.017 0.000 0.869 352 Q CB -0.226 28.498 28.738 -0.022 0.000 0.912 352 Q HN 0.507 nan 8.270 nan 0.000 0.436 353 I N 1.209 121.767 120.570 -0.019 0.000 2.493 353 I HA -0.221 3.949 4.170 -0.000 0.000 0.254 353 I C 1.983 178.092 176.117 -0.013 0.000 1.160 353 I CA 0.775 62.064 61.300 -0.019 0.000 1.445 353 I CB -0.272 37.715 38.000 -0.021 0.000 1.086 353 I HN 0.067 nan 8.210 nan 0.000 0.433 354 E N 1.522 121.716 120.200 -0.011 0.000 2.072 354 E HA -0.168 4.182 4.350 -0.000 0.000 0.190 354 E C 1.201 177.797 176.600 -0.006 0.000 0.982 354 E CA 1.057 57.452 56.400 -0.008 0.000 0.803 354 E CB -0.497 29.199 29.700 -0.007 0.000 0.755 354 E HN 0.611 nan 8.360 nan 0.000 0.453 355 E N 1.054 121.249 120.200 -0.007 0.000 2.296 355 E HA 0.348 4.698 4.350 -0.000 0.000 0.196 355 E C -0.323 176.274 176.600 -0.005 0.000 1.143 355 E CA -0.169 56.227 56.400 -0.005 0.000 1.145 355 E CB 0.338 30.035 29.700 -0.006 0.000 1.215 355 E HN 0.086 nan 8.360 nan 0.000 0.447 356 A N 0.982 123.800 122.820 -0.005 0.000 2.274 356 A HA 0.323 4.643 4.320 -0.000 0.000 0.309 356 A C 1.018 178.605 177.584 0.003 0.000 1.226 356 A CA -0.603 51.433 52.037 -0.002 0.000 0.853 356 A CB 0.435 19.431 19.000 -0.007 0.000 1.146 356 A HN 0.247 nan 8.150 nan 0.000 0.518 357 T N -1.070 113.489 114.554 0.009 0.000 3.010 357 T HA 0.302 4.652 4.350 -0.000 0.000 0.257 357 T C 0.734 175.445 174.700 0.019 0.000 1.020 357 T CA 0.565 62.672 62.100 0.011 0.000 0.938 357 T CB -0.075 68.799 68.868 0.010 0.000 1.049 357 T HN 0.735 nan 8.240 nan 0.000 0.522 358 S N -0.379 115.337 115.700 0.027 0.000 2.638 358 S HA 0.412 4.882 4.470 -0.000 0.000 0.302 358 S C -0.018 174.610 174.600 0.046 0.000 1.096 358 S CA -0.637 57.588 58.200 0.043 0.000 0.953 358 S CB 1.755 64.993 63.200 0.064 0.000 1.107 358 S HN 0.072 nan 8.310 nan 0.000 0.503 359 D N 0.716 121.153 120.400 0.061 0.000 2.183 359 D HA -0.038 4.602 4.640 -0.000 0.000 0.205 359 D C 1.257 177.599 176.300 0.071 0.000 0.962 359 D CA 1.037 55.069 54.000 0.054 0.000 0.849 359 D CB -0.153 40.680 40.800 0.054 0.000 0.978 359 D HN 0.700 nan 8.370 nan 0.000 0.488 360 Y N 2.106 122.404 120.300 -0.003 0.000 2.274 360 Y HA -0.153 4.397 4.550 -0.000 0.000 0.290 360 Y C 1.727 177.619 175.900 -0.014 0.000 1.145 360 Y CA 1.401 59.498 58.100 -0.005 0.000 1.203 360 Y CB 0.082 38.541 38.460 -0.002 0.000 0.984 360 Y HN -0.128 nan 8.280 nan 0.000 0.533 361 D N -0.467 119.972 120.400 0.065 0.000 2.312 361 D HA -0.112 4.528 4.640 -0.000 0.000 0.211 361 D C 1.980 178.237 176.300 -0.072 0.000 0.964 361 D CA 0.662 54.654 54.000 -0.013 0.000 0.877 361 D CB 0.009 40.830 40.800 0.035 0.000 0.924 361 D HN 0.424 nan 8.370 nan 0.000 0.515 362 R N 0.866 121.329 120.500 -0.062 0.000 2.052 362 R HA -0.071 4.269 4.340 -0.000 0.000 0.224 362 R C 2.321 178.562 176.300 -0.099 0.000 1.165 362 R CA 0.860 56.923 56.100 -0.062 0.000 0.939 362 R CB 0.113 30.395 30.300 -0.031 0.000 0.834 362 R HN 0.095 nan 8.270 nan 0.000 0.435 363 E N 0.935 121.063 120.200 -0.120 0.000 2.147 363 E HA -0.253 4.097 4.350 -0.000 0.000 0.199 363 E C 1.652 178.147 176.600 -0.175 0.000 1.005 363 E CA 1.051 57.373 56.400 -0.131 0.000 0.810 363 E CB -0.203 29.421 29.700 -0.127 0.000 0.736 363 E HN 0.154 nan 8.360 nan 0.000 0.460 364 K N 0.739 120.972 120.400 -0.279 0.000 2.209 364 K HA -0.001 4.319 4.320 -0.000 0.000 0.204 364 K C 2.274 178.778 176.600 -0.159 0.000 1.048 364 K CA 0.641 56.764 56.287 -0.274 0.000 0.940 364 K CB -0.218 32.041 32.500 -0.402 0.000 0.729 364 K HN 0.286 nan 8.250 nan 0.000 0.451 365 L N -0.059 121.089 121.223 -0.125 0.000 2.249 365 L HA -0.044 4.296 4.340 -0.000 0.000 0.207 365 L C 2.143 178.975 176.870 -0.065 0.000 1.090 365 L CA 0.642 55.433 54.840 -0.082 0.000 0.802 365 L CB -0.178 41.842 42.059 -0.065 0.000 0.947 365 L HN 0.104 nan 8.230 nan 0.000 0.453 366 Q N -0.028 119.733 119.800 -0.066 0.000 2.311 366 Q HA -0.131 4.209 4.340 -0.000 0.000 0.203 366 Q C 1.813 177.787 176.000 -0.044 0.000 0.954 366 Q CA 0.807 56.582 55.803 -0.048 0.000 0.885 366 Q CB 0.209 28.922 28.738 -0.042 0.000 0.963 366 Q HN 0.432 nan 8.270 nan 0.000 0.471 367 E N 0.003 120.169 120.200 -0.056 0.000 2.274 367 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 367 E C 1.799 178.379 176.600 -0.033 0.000 0.996 367 E CA 0.415 56.790 56.400 -0.042 0.000 0.840 367 E CB 0.215 29.883 29.700 -0.053 0.000 0.772 367 E HN 0.175 nan 8.360 nan 0.000 0.491 368 R N 0.242 120.716 120.500 -0.043 0.000 2.066 368 R HA -0.068 4.272 4.340 -0.000 0.000 0.224 368 R C 2.633 178.918 176.300 -0.025 0.000 1.122 368 R CA 1.224 57.302 56.100 -0.036 0.000 0.974 368 R CB -0.280 29.991 30.300 -0.049 0.000 0.871 368 R HN 0.185 nan 8.270 nan 0.000 0.435 369 V N -0.943 118.955 119.914 -0.027 0.000 2.392 369 V HA -0.172 3.948 4.120 -0.000 0.000 0.249 369 V C 2.174 178.259 176.094 -0.014 0.000 1.059 369 V CA 1.863 64.151 62.300 -0.020 0.000 1.051 369 V CB -0.956 30.854 31.823 -0.021 0.000 0.658 369 V HN 0.252 nan 8.190 nan 0.000 0.455 370 A N 0.852 123.663 122.820 -0.014 0.000 1.828 370 A HA -0.193 4.127 4.320 -0.000 0.000 0.215 370 A C 2.288 179.871 177.584 -0.001 0.000 1.203 370 A CA 2.268 54.300 52.037 -0.008 0.000 0.614 370 A CB -0.896 18.098 19.000 -0.009 0.000 0.844 370 A HN 0.542 nan 8.150 nan 0.000 0.445 371 K N -1.199 119.204 120.400 0.004 0.000 2.144 371 K HA -0.216 4.104 4.320 -0.000 0.000 0.209 371 K C 1.843 178.453 176.600 0.016 0.000 1.047 371 K CA 1.789 58.087 56.287 0.018 0.000 0.927 371 K CB -0.331 32.189 32.500 0.034 0.000 0.716 371 K HN 0.388 nan 8.250 nan 0.000 0.454 372 L N -0.354 120.874 121.223 0.007 0.000 2.071 372 L HA 0.056 4.396 4.340 -0.000 0.000 0.201 372 L C 1.997 178.868 176.870 0.002 0.000 1.076 372 L CA 1.778 56.622 54.840 0.006 0.000 0.755 372 L CB -0.616 41.442 42.059 -0.001 0.000 0.915 372 L HN 0.096 nan 8.230 nan 0.000 0.445 373 A N -1.076 121.742 122.820 -0.002 0.000 2.072 373 A HA 0.142 4.462 4.320 -0.000 0.000 0.216 373 A C 2.163 179.746 177.584 -0.003 0.000 1.156 373 A CA 0.925 52.960 52.037 -0.003 0.000 0.701 373 A CB -1.143 17.853 19.000 -0.006 0.000 0.816 373 A HN 0.500 nan 8.150 nan 0.000 0.458 374 G N -0.587 108.212 108.800 -0.002 0.000 2.421 374 G HA2 0.366 4.326 3.960 -0.000 0.000 0.217 374 G HA3 0.366 4.326 3.960 -0.000 0.000 0.217 374 G C 1.097 175.996 174.900 -0.003 0.000 1.143 374 G CA 0.690 45.789 45.100 -0.002 0.000 0.784 374 G HN 1.672 nan 8.290 nan 0.000 0.541 375 G N -1.856 106.944 108.800 -0.000 0.000 2.796 375 G HA2 0.060 4.020 3.960 -0.000 0.000 0.571 375 G HA3 0.060 4.020 3.960 -0.000 0.000 0.571 375 G C -0.775 174.122 174.900 -0.005 0.000 1.370 375 G CA -0.381 44.717 45.100 -0.002 0.000 0.856 375 G HN 0.988 nan 8.290 nan 0.000 0.538 376 V N 0.346 120.255 119.914 -0.009 0.000 2.531 376 V HA 0.745 4.865 4.120 -0.000 0.000 0.301 376 V C 0.679 176.762 176.094 -0.017 0.000 1.034 376 V CA -0.093 62.198 62.300 -0.015 0.000 0.865 376 V CB 1.477 33.289 31.823 -0.018 0.000 0.995 376 V HN 2.101 nan 8.190 nan 0.000 0.424 377 A N 4.569 127.377 122.820 -0.020 0.000 2.252 377 A HA 0.726 5.046 4.320 -0.000 0.000 0.309 377 A C -0.180 177.389 177.584 -0.024 0.000 1.285 377 A CA -0.424 51.601 52.037 -0.020 0.000 0.900 377 A CB 0.920 19.909 19.000 -0.019 0.000 1.157 377 A HN 1.418 nan 8.150 nan 0.000 0.536 378 V N 2.461 122.362 119.914 -0.023 0.000 2.427 378 V HA 0.688 4.808 4.120 -0.000 0.000 0.286 378 V C -0.273 175.808 176.094 -0.023 0.000 1.034 378 V CA -0.620 61.665 62.300 -0.025 0.000 0.893 378 V CB 0.859 32.667 31.823 -0.025 0.000 0.982 378 V HN 0.625 nan 8.190 nan 0.000 0.452 379 I N 5.491 126.046 120.570 -0.025 0.000 2.321 379 I HA 0.444 4.614 4.170 -0.000 0.000 0.291 379 I C 0.255 176.359 176.117 -0.020 0.000 0.998 379 I CA -0.519 60.768 61.300 -0.022 0.000 1.227 379 I CB 1.490 39.476 38.000 -0.024 0.000 1.368 379 I HN 0.654 nan 8.210 nan 0.000 0.466 380 K N 6.024 126.414 120.400 -0.017 0.000 2.234 380 K HA 0.422 4.742 4.320 -0.000 0.000 0.277 380 K C -0.852 175.740 176.600 -0.014 0.000 1.038 380 K CA -0.656 55.621 56.287 -0.016 0.000 0.888 380 K CB 2.067 34.559 32.500 -0.015 0.000 1.091 380 K HN 0.305 nan 8.250 nan 0.000 0.467 381 V N 3.089 122.995 119.914 -0.013 0.000 2.389 381 V HA 0.172 4.292 4.120 -0.000 0.000 0.264 381 V C 0.766 176.854 176.094 -0.009 0.000 1.049 381 V CA -0.476 61.817 62.300 -0.011 0.000 0.932 381 V CB 0.846 32.663 31.823 -0.011 0.000 1.011 381 V HN 0.899 nan 8.190 nan 0.000 0.475 382 G N 3.537 112.332 108.800 -0.009 0.000 2.425 382 G HA2 0.779 4.739 3.960 -0.000 0.000 0.302 382 G HA3 0.779 4.739 3.960 -0.000 0.000 0.302 382 G C -0.363 174.533 174.900 -0.006 0.000 1.159 382 G CA 0.272 45.368 45.100 -0.007 0.000 0.865 382 G HN 1.186 nan 8.290 nan 0.000 0.515 383 A N -0.279 122.537 122.820 -0.006 0.000 2.511 383 A HA 0.794 5.114 4.320 -0.000 0.000 0.293 383 A C 0.749 178.330 177.584 -0.005 0.000 1.098 383 A CA 0.406 52.441 52.037 -0.005 0.000 0.643 383 A CB 0.370 19.367 19.000 -0.005 0.000 1.302 383 A HN 1.753 nan 8.150 nan 0.000 0.446 384 A N -0.504 122.313 122.820 -0.004 0.000 1.855 384 A HA 0.439 4.759 4.320 -0.000 0.000 0.213 384 A C 1.389 178.971 177.584 -0.004 0.000 1.195 384 A CA 2.339 54.374 52.037 -0.004 0.000 0.610 384 A CB -0.645 18.353 19.000 -0.003 0.000 0.837 384 A HN 1.881 nan 8.150 nan 0.000 0.444 385 T N -2.405 112.147 114.554 -0.003 0.000 2.940 385 T HA 0.376 4.726 4.350 -0.000 0.000 0.288 385 T C 0.764 175.462 174.700 -0.003 0.000 1.033 385 T CA 0.062 62.160 62.100 -0.003 0.000 1.033 385 T CB 1.655 70.521 68.868 -0.003 0.000 1.079 385 T HN 0.384 nan 8.240 nan 0.000 0.496 386 E N 1.068 121.266 120.200 -0.003 0.000 2.070 386 E HA -0.139 4.211 4.350 -0.000 0.000 0.197 386 E C 1.943 178.541 176.600 -0.002 0.000 1.004 386 E CA 1.911 58.309 56.400 -0.003 0.000 0.805 386 E CB -0.178 29.520 29.700 -0.003 0.000 0.744 386 E HN 0.570 nan 8.360 nan 0.000 0.451 387 V N 0.869 120.782 119.914 -0.002 0.000 2.220 387 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 387 V C 2.288 178.381 176.094 -0.002 0.000 1.049 387 V CA 2.304 64.603 62.300 -0.001 0.000 1.003 387 V CB -0.862 30.960 31.823 -0.001 0.000 0.634 387 V HN 0.325 nan 8.190 nan 0.000 0.444 388 E N -0.585 119.613 120.200 -0.002 0.000 2.113 388 E HA -0.334 4.016 4.350 -0.000 0.000 0.210 388 E C 2.222 178.821 176.600 -0.003 0.000 1.040 388 E CA 2.357 58.756 56.400 -0.002 0.000 0.847 388 E CB -0.220 29.479 29.700 -0.003 0.000 0.755 388 E HN 0.483 nan 8.360 nan 0.000 0.459 389 M N 0.419 120.017 119.600 -0.003 0.000 2.084 389 M HA -0.205 4.275 4.480 -0.000 0.000 0.259 389 M C 1.865 178.163 176.300 -0.004 0.000 1.072 389 M CA 1.702 57.000 55.300 -0.004 0.000 1.107 389 M CB -0.180 32.417 32.600 -0.005 0.000 1.299 389 M HN -0.095 nan 8.290 nan 0.000 0.413 390 K N -0.345 120.054 120.400 -0.003 0.000 2.555 390 K HA -0.107 4.213 4.320 -0.000 0.000 0.193 390 K C 1.767 178.367 176.600 0.000 0.000 1.032 390 K CA 0.328 56.614 56.287 -0.002 0.000 1.004 390 K CB 0.100 32.600 32.500 -0.001 0.000 0.804 390 K HN 0.337 nan 8.250 nan 0.000 0.496 391 E N 1.371 121.571 120.200 -0.000 0.000 2.057 391 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 391 E C 1.710 178.311 176.600 0.001 0.000 0.969 391 E CA 0.943 57.344 56.400 0.001 0.000 0.812 391 E CB 0.224 29.924 29.700 0.000 0.000 0.777 391 E HN 0.082 nan 8.360 nan 0.000 0.455 392 K N 1.146 121.545 120.400 -0.001 0.000 2.044 392 K HA -0.196 4.124 4.320 -0.000 0.000 0.210 392 K C 2.301 178.899 176.600 -0.003 0.000 1.049 392 K CA 1.656 57.942 56.287 -0.002 0.000 0.927 392 K CB -0.137 32.361 32.500 -0.004 0.000 0.713 392 K HN -0.082 nan 8.250 nan 0.000 0.443 393 K N 0.030 120.427 120.400 -0.004 0.000 2.127 393 K HA -0.207 4.113 4.320 -0.000 0.000 0.208 393 K C 1.875 178.474 176.600 -0.003 0.000 1.047 393 K CA 1.461 57.745 56.287 -0.006 0.000 0.927 393 K CB -0.148 32.349 32.500 -0.006 0.000 0.716 393 K HN 0.264 nan 8.250 nan 0.000 0.450 394 A N 1.041 123.862 122.820 0.002 0.000 1.898 394 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 394 A C 2.074 179.666 177.584 0.013 0.000 1.181 394 A CA 1.262 53.304 52.037 0.009 0.000 0.620 394 A CB -0.343 18.663 19.000 0.010 0.000 0.819 394 A HN 0.307 nan 8.150 nan 0.000 0.442 395 R N -0.687 119.818 120.500 0.009 0.000 2.148 395 R HA -0.018 4.322 4.340 -0.000 0.000 0.223 395 R C 1.945 178.251 176.300 0.010 0.000 1.088 395 R CA 1.102 57.208 56.100 0.011 0.000 0.985 395 R CB -0.356 29.948 30.300 0.006 0.000 0.880 395 R HN 0.390 nan 8.270 nan 0.000 0.451 396 V N 1.076 120.990 119.914 0.001 0.000 2.295 396 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 396 V C 1.863 177.949 176.094 -0.013 0.000 1.049 396 V CA 1.903 64.199 62.300 -0.007 0.000 1.024 396 V CB -0.383 31.432 31.823 -0.012 0.000 0.648 396 V HN 0.337 nan 8.190 nan 0.000 0.447 397 E N -0.286 119.905 120.200 -0.015 0.000 2.153 397 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 397 E C 1.968 178.582 176.600 0.024 0.000 0.988 397 E CA 1.238 57.618 56.400 -0.032 0.000 0.811 397 E CB -0.144 29.541 29.700 -0.024 0.000 0.746 397 E HN 0.590 nan 8.360 nan 0.000 0.466 398 D N 0.153 120.589 120.400 0.059 0.000 2.097 398 D HA -0.126 4.514 4.640 -0.000 0.000 0.195 398 D C 1.885 178.241 176.300 0.094 0.000 0.989 398 D CA 1.307 55.366 54.000 0.097 0.000 0.827 398 D CB -0.117 40.716 40.800 0.055 0.000 0.966 398 D HN 0.169 nan 8.370 nan 0.000 0.456 399 A N 0.867 123.715 122.820 0.046 0.000 1.855 399 A HA -0.106 4.214 4.320 -0.000 0.000 0.215 399 A C 2.304 179.908 177.584 0.034 0.000 1.191 399 A CA 0.883 52.941 52.037 0.035 0.000 0.613 399 A CB -0.978 18.031 19.000 0.015 0.000 0.829 399 A HN 0.226 nan 8.150 nan 0.000 0.442 400 L N -0.851 120.374 121.223 0.002 0.000 2.010 400 L HA -0.339 4.001 4.340 -0.000 0.000 0.219 400 L C 2.611 179.481 176.870 -0.000 0.000 1.077 400 L CA 2.519 57.340 54.840 -0.031 0.000 0.773 400 L CB -0.534 41.469 42.059 -0.093 0.000 0.892 400 L HN 0.536 nan 8.230 nan 0.000 0.436 401 H N -0.567 118.501 119.070 -0.003 0.000 2.265 401 H HA -0.185 4.371 4.556 -0.000 0.000 0.293 401 H C 2.129 177.457 175.328 0.001 0.000 1.089 401 H CA 1.792 57.838 56.048 -0.002 0.000 1.244 401 H CB -0.569 29.192 29.762 -0.003 0.000 1.355 401 H HN 0.564 nan 8.280 nan 0.000 0.485 402 A N -0.200 122.705 122.820 0.141 0.000 2.015 402 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 402 A C 2.550 180.167 177.584 0.055 0.000 1.163 402 A CA 1.904 53.985 52.037 0.074 0.000 0.646 402 A CB -0.512 18.517 19.000 0.048 0.000 0.806 402 A HN 0.478 nan 8.150 nan 0.000 0.448 403 T N -0.972 113.612 114.554 0.050 0.000 2.894 403 T HA -0.026 4.324 4.350 -0.000 0.000 0.258 403 T C 2.049 176.768 174.700 0.031 0.000 1.043 403 T CA 0.984 63.102 62.100 0.030 0.000 1.141 403 T CB -0.155 68.724 68.868 0.018 0.000 0.873 403 T HN 0.459 nan 8.240 nan 0.000 0.449 404 R N 0.924 121.446 120.500 0.038 0.000 2.105 404 R HA -0.037 4.303 4.340 -0.000 0.000 0.239 404 R C 2.705 179.031 176.300 0.044 0.000 1.135 404 R CA 1.379 57.501 56.100 0.037 0.000 0.967 404 R CB -0.392 29.934 30.300 0.044 0.000 0.861 404 R HN 0.384 nan 8.270 nan 0.000 0.442 405 A N 0.697 123.551 122.820 0.056 0.000 1.873 405 A HA -0.064 4.256 4.320 -0.000 0.000 0.215 405 A C 2.318 179.921 177.584 0.033 0.000 1.186 405 A CA 1.500 53.565 52.037 0.046 0.000 0.616 405 A CB -0.632 18.396 19.000 0.047 0.000 0.823 405 A HN 0.404 nan 8.150 nan 0.000 0.442 406 A N -0.444 122.394 122.820 0.030 0.000 1.902 406 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 406 A C 2.234 179.830 177.584 0.020 0.000 1.181 406 A CA 1.826 53.876 52.037 0.023 0.000 0.623 406 A CB -0.991 18.021 19.000 0.021 0.000 0.818 406 A HN 0.372 nan 8.150 nan 0.000 0.443 407 V N 0.106 120.032 119.914 0.020 0.000 2.233 407 V HA -0.326 3.794 4.120 -0.000 0.000 0.247 407 V C 2.451 178.556 176.094 0.017 0.000 1.050 407 V CA 2.475 64.785 62.300 0.016 0.000 1.010 407 V CB -0.964 30.868 31.823 0.015 0.000 0.637 407 V HN 0.663 nan 8.190 nan 0.000 0.444 408 E N -0.175 120.037 120.200 0.020 0.000 2.058 408 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 408 E C 1.729 178.340 176.600 0.018 0.000 0.997 408 E CA 1.731 58.143 56.400 0.020 0.000 0.801 408 E CB -0.069 29.646 29.700 0.024 0.000 0.746 408 E HN 0.714 nan 8.360 nan 0.000 0.450 409 E N -0.859 119.352 120.200 0.019 0.000 2.715 409 E HA 0.259 4.609 4.350 -0.000 0.000 0.224 409 E C 0.326 176.936 176.600 0.016 0.000 0.962 409 E CA 0.162 56.572 56.400 0.017 0.000 1.145 409 E CB 1.653 31.364 29.700 0.018 0.000 1.083 409 E HN 0.220 nan 8.360 nan 0.000 0.506 410 G N 1.530 110.340 108.800 0.017 0.000 2.757 410 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.638 410 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.638 410 G C -0.235 174.675 174.900 0.017 0.000 1.344 410 G CA -0.474 44.635 45.100 0.016 0.000 0.855 410 G HN 0.441 nan 8.290 nan 0.000 0.537 411 V N -2.152 117.772 119.914 0.017 0.000 3.019 411 V HA 0.993 5.113 4.120 -0.000 0.000 0.317 411 V C 0.802 176.908 176.094 0.018 0.000 1.094 411 V CA 0.300 62.610 62.300 0.017 0.000 1.000 411 V CB 1.272 33.105 31.823 0.015 0.000 1.060 411 V HN 2.540 nan 8.190 nan 0.000 0.443 412 V N -1.016 118.909 119.914 0.019 0.000 3.165 412 V HA 0.982 5.102 4.120 -0.000 0.000 0.309 412 V C 0.366 176.473 176.094 0.022 0.000 1.267 412 V CA -0.787 61.526 62.300 0.022 0.000 1.067 412 V CB 1.199 33.036 31.823 0.023 0.000 1.082 412 V HN 2.184 nan 8.190 nan 0.000 0.451 413 A N 0.402 123.238 122.820 0.027 0.000 2.537 413 A HA 0.491 4.811 4.320 -0.000 0.000 0.260 413 A C 1.316 178.912 177.584 0.020 0.000 1.082 413 A CA 0.566 52.618 52.037 0.026 0.000 0.765 413 A CB -0.368 18.655 19.000 0.037 0.000 1.019 413 A HN 2.081 nan 8.150 nan 0.000 0.507 414 G N 1.957 110.763 108.800 0.010 0.000 2.985 414 G HA2 0.263 4.223 3.960 -0.000 0.000 0.209 414 G HA3 0.263 4.223 3.960 -0.000 0.000 0.209 414 G C 0.870 175.773 174.900 0.006 0.000 1.165 414 G CA 0.691 45.795 45.100 0.006 0.000 0.776 414 G HN 1.104 nan 8.290 nan 0.000 0.541 415 G N -0.557 108.249 108.800 0.010 0.000 3.383 415 G HA2 0.412 4.372 3.960 -0.000 0.000 0.251 415 G HA3 0.412 4.372 3.960 -0.000 0.000 0.251 415 G C 1.224 176.144 174.900 0.033 0.000 1.203 415 G CA 0.270 45.378 45.100 0.014 0.000 0.852 415 G HN 1.085 nan 8.290 nan 0.000 0.531 416 G N -0.651 108.167 108.800 0.029 0.000 2.336 416 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.233 416 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.233 416 G C 1.508 176.431 174.900 0.039 0.000 1.053 416 G CA 0.611 45.732 45.100 0.034 0.000 0.625 416 G HN 0.664 nan 8.290 nan 0.000 0.511 417 V N 1.642 121.582 119.914 0.044 0.000 2.252 417 V HA -0.213 3.907 4.120 -0.000 0.000 0.255 417 V C 3.392 179.513 176.094 0.046 0.000 1.071 417 V CA 3.682 66.012 62.300 0.051 0.000 1.050 417 V CB -1.591 30.261 31.823 0.048 0.000 0.654 417 V HN 1.429 nan 8.190 nan 0.000 0.448 418 A N -0.234 122.609 122.820 0.038 0.000 1.873 418 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 418 A C 2.226 179.830 177.584 0.033 0.000 1.193 418 A CA 2.228 54.286 52.037 0.036 0.000 0.629 418 A CB -0.594 18.424 19.000 0.029 0.000 0.826 418 A HN 0.439 nan 8.150 nan 0.000 0.447 419 L N -0.547 120.694 121.223 0.031 0.000 2.017 419 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 419 L C 2.568 179.456 176.870 0.030 0.000 1.073 419 L CA 1.463 56.320 54.840 0.028 0.000 0.745 419 L CB -1.054 41.020 42.059 0.026 0.000 0.894 419 L HN 0.351 nan 8.230 nan 0.000 0.432 420 I N -0.025 120.566 120.570 0.035 0.000 2.335 420 I HA -0.311 3.859 4.170 -0.000 0.000 0.251 420 I C 2.725 178.864 176.117 0.038 0.000 1.129 420 I CA 1.250 62.572 61.300 0.037 0.000 1.402 420 I CB -0.526 37.501 38.000 0.045 0.000 1.069 420 I HN 0.319 nan 8.210 nan 0.000 0.424 421 R N 0.895 121.420 120.500 0.042 0.000 2.052 421 R HA -0.110 4.230 4.340 -0.000 0.000 0.226 421 R C 2.365 178.684 176.300 0.032 0.000 1.145 421 R CA 1.989 58.115 56.100 0.043 0.000 0.952 421 R CB -0.600 29.730 30.300 0.050 0.000 0.847 421 R HN 0.250 nan 8.270 nan 0.000 0.431 422 V N -0.725 119.206 119.914 0.028 0.000 2.392 422 V HA -0.090 4.030 4.120 -0.000 0.000 0.249 422 V C 2.146 178.251 176.094 0.018 0.000 1.059 422 V CA 1.865 64.178 62.300 0.022 0.000 1.051 422 V CB -1.185 30.649 31.823 0.019 0.000 0.658 422 V HN 0.387 nan 8.190 nan 0.000 0.455 423 A N 1.443 124.275 122.820 0.020 0.000 1.902 423 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 423 A C 2.595 180.188 177.584 0.015 0.000 1.181 423 A CA 2.460 54.507 52.037 0.016 0.000 0.623 423 A CB -1.046 17.964 19.000 0.017 0.000 0.818 423 A HN 1.038 nan 8.150 nan 0.000 0.443 424 S N -0.465 115.246 115.700 0.018 0.000 2.481 424 S HA -0.065 4.405 4.470 -0.000 0.000 0.231 424 S C 1.719 176.327 174.600 0.013 0.000 0.996 424 S CA 1.055 59.264 58.200 0.015 0.000 0.942 424 S CB -0.233 62.978 63.200 0.019 0.000 0.768 424 S HN 0.579 nan 8.310 nan 0.000 0.520 425 K N 1.062 121.471 120.400 0.014 0.000 1.980 425 K HA 0.036 4.356 4.320 -0.000 0.000 0.208 425 K C 0.626 177.231 176.600 0.008 0.000 1.043 425 K CA 1.158 57.452 56.287 0.011 0.000 0.938 425 K CB -0.566 31.942 32.500 0.013 0.000 0.724 425 K HN 0.468 nan 8.250 nan 0.000 0.438 426 L N -0.129 121.099 121.223 0.008 0.000 2.796 426 L HA 0.328 4.668 4.340 -0.000 0.000 0.235 426 L C 0.696 177.570 176.870 0.006 0.000 1.344 426 L CA -0.045 54.799 54.840 0.006 0.000 1.245 426 L CB 0.327 42.389 42.059 0.006 0.000 1.556 426 L HN -0.065 nan 8.230 nan 0.000 0.423 427 A N -1.259 121.564 122.820 0.005 0.000 2.415 427 A HA 0.218 4.538 4.320 -0.000 0.000 0.248 427 A C 1.116 178.702 177.584 0.003 0.000 1.299 427 A CA -0.025 52.015 52.037 0.005 0.000 0.899 427 A CB -0.176 18.827 19.000 0.005 0.000 0.997 427 A HN 0.429 nan 8.150 nan 0.000 0.506 428 D N -0.830 119.571 120.400 0.003 0.000 2.392 428 D HA 0.100 4.740 4.640 -0.000 0.000 0.206 428 D C 0.411 176.712 176.300 0.002 0.000 1.046 428 D CA -0.160 53.842 54.000 0.002 0.000 0.865 428 D CB 0.040 40.840 40.800 0.001 0.000 0.969 428 D HN 0.277 nan 8.370 nan 0.000 0.509 429 L N 2.208 123.432 121.223 0.002 0.000 2.653 429 L HA -0.091 4.249 4.340 -0.000 0.000 0.288 429 L C 0.568 177.439 176.870 0.002 0.000 1.243 429 L CA 0.936 55.777 54.840 0.002 0.000 0.906 429 L CB -0.014 42.046 42.059 0.002 0.000 1.154 429 L HN -0.090 nan 8.230 nan 0.000 0.498 430 R N 2.917 123.418 120.500 0.001 0.000 2.919 430 R HA 0.776 5.116 4.340 -0.000 0.000 0.260 430 R C -0.070 176.230 176.300 0.001 0.000 1.067 430 R CA -0.358 55.743 56.100 0.001 0.000 1.003 430 R CB 1.380 31.680 30.300 0.001 0.000 1.192 430 R HN 0.775 nan 8.270 nan 0.000 0.488 431 G N -0.135 108.666 108.800 0.001 0.000 3.217 431 G HA2 0.323 4.283 3.960 -0.000 0.000 0.213 431 G HA3 0.323 4.283 3.960 -0.000 0.000 0.213 431 G C -0.278 174.622 174.900 0.001 0.000 1.294 431 G CA -0.153 44.947 45.100 0.001 0.000 0.987 431 G HN 0.361 nan 8.290 nan 0.000 0.584 432 Q N -0.468 119.333 119.800 0.001 0.000 2.514 432 Q HA 0.166 4.506 4.340 -0.000 0.000 0.208 432 Q C 1.104 177.104 176.000 0.001 0.000 0.938 432 Q CA -0.029 55.774 55.803 0.001 0.000 0.892 432 Q CB -0.263 28.476 28.738 0.000 0.000 1.050 432 Q HN 0.545 nan 8.270 nan 0.000 0.595 433 N N 2.243 120.944 118.700 0.001 0.000 2.412 433 N HA -0.100 4.640 4.740 -0.000 0.000 0.258 433 N C 0.761 176.272 175.510 0.001 0.000 1.236 433 N CA 0.004 53.055 53.050 0.001 0.000 0.882 433 N CB 0.519 39.007 38.487 0.002 0.000 1.066 433 N HN 0.368 nan 8.380 nan 0.000 0.465 434 E N 2.468 122.668 120.200 0.001 0.000 2.396 434 E HA -0.257 4.093 4.350 -0.000 0.000 0.200 434 E C 0.046 176.647 176.600 0.002 0.000 1.023 434 E CA 1.120 57.521 56.400 0.001 0.000 0.857 434 E CB 0.120 29.821 29.700 0.001 0.000 0.775 434 E HN 0.576 nan 8.360 nan 0.000 0.525 435 D N 1.187 121.588 120.400 0.002 0.000 2.178 435 D HA -0.113 4.527 4.640 -0.000 0.000 0.202 435 D C 1.825 178.126 176.300 0.002 0.000 0.974 435 D CA 0.936 54.937 54.000 0.002 0.000 0.841 435 D CB -0.065 40.737 40.800 0.003 0.000 0.953 435 D HN 0.403 nan 8.370 nan 0.000 0.478 436 Q N 0.002 119.803 119.800 0.002 0.000 2.245 436 Q HA -0.044 4.296 4.340 -0.000 0.000 0.201 436 Q C 1.664 177.665 176.000 0.002 0.000 0.955 436 Q CA 0.429 56.233 55.803 0.002 0.000 0.870 436 Q CB 0.132 28.871 28.738 0.002 0.000 0.945 436 Q HN 0.180 nan 8.270 nan 0.000 0.461 437 N N 0.209 118.911 118.700 0.002 0.000 2.084 437 N HA -0.136 4.604 4.740 -0.000 0.000 0.190 437 N C 1.854 177.365 175.510 0.003 0.000 1.030 437 N CA 1.122 54.173 53.050 0.002 0.000 0.849 437 N CB -0.423 38.065 38.487 0.002 0.000 1.012 437 N HN 0.027 nan 8.380 nan 0.000 0.423 438 V N 0.855 120.770 119.914 0.003 0.000 2.332 438 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 438 V C 2.419 178.516 176.094 0.004 0.000 1.055 438 V CA 2.061 64.363 62.300 0.003 0.000 1.038 438 V CB -1.362 30.463 31.823 0.003 0.000 0.651 438 V HN 0.368 nan 8.190 nan 0.000 0.450 439 G N 0.174 108.976 108.800 0.004 0.000 2.459 439 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 439 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 439 G C 1.558 176.461 174.900 0.004 0.000 1.183 439 G CA 1.319 46.422 45.100 0.004 0.000 0.776 439 G HN 0.505 nan 8.290 nan 0.000 0.552 440 I N 0.479 121.051 120.570 0.003 0.000 2.163 440 I HA -0.187 3.983 4.170 -0.000 0.000 0.243 440 I C 2.855 178.975 176.117 0.004 0.000 1.085 440 I CA 1.399 62.701 61.300 0.003 0.000 1.347 440 I CB -0.196 37.806 38.000 0.003 0.000 1.044 440 I HN 0.097 nan 8.210 nan 0.000 0.408 441 K N 0.471 120.874 120.400 0.004 0.000 2.002 441 K HA -0.144 4.176 4.320 -0.000 0.000 0.209 441 K C 2.181 178.785 176.600 0.006 0.000 1.048 441 K CA 1.404 57.694 56.287 0.005 0.000 0.930 441 K CB -0.533 31.969 32.500 0.004 0.000 0.714 441 K HN 0.114 nan 8.250 nan 0.000 0.438 442 V N 1.731 121.648 119.914 0.006 0.000 2.252 442 V HA -0.368 3.752 4.120 -0.000 0.000 0.255 442 V C 2.453 178.551 176.094 0.008 0.000 1.071 442 V CA 2.341 64.645 62.300 0.007 0.000 1.050 442 V CB -0.766 31.061 31.823 0.007 0.000 0.654 442 V HN 0.462 nan 8.190 nan 0.000 0.448 443 A N -1.140 121.684 122.820 0.007 0.000 1.902 443 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 443 A C 2.217 179.807 177.584 0.009 0.000 1.181 443 A CA 1.935 53.977 52.037 0.008 0.000 0.623 443 A CB -0.511 18.493 19.000 0.006 0.000 0.818 443 A HN 0.503 nan 8.150 nan 0.000 0.443 444 L N -0.985 120.243 121.223 0.008 0.000 1.989 444 L HA -0.193 4.147 4.340 -0.000 0.000 0.211 444 L C 2.858 179.734 176.870 0.010 0.000 1.071 444 L CA 1.961 56.806 54.840 0.009 0.000 0.749 444 L CB -0.422 41.641 42.059 0.008 0.000 0.890 444 L HN 0.494 nan 8.230 nan 0.000 0.431 445 R N 0.172 120.677 120.500 0.009 0.000 2.237 445 R HA -0.104 4.236 4.340 -0.000 0.000 0.219 445 R C 2.016 178.322 176.300 0.011 0.000 1.080 445 R CA 0.990 57.096 56.100 0.009 0.000 0.995 445 R CB -0.041 30.264 30.300 0.008 0.000 0.875 445 R HN 0.342 nan 8.270 nan 0.000 0.462 446 A N 0.725 123.552 122.820 0.012 0.000 2.066 446 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 446 A C 1.987 179.580 177.584 0.016 0.000 1.157 446 A CA 0.834 52.879 52.037 0.014 0.000 0.670 446 A CB -0.225 18.784 19.000 0.014 0.000 0.804 446 A HN 0.347 nan 8.150 nan 0.000 0.453 447 M N -0.394 119.215 119.600 0.016 0.000 2.476 447 M HA -0.062 4.418 4.480 -0.000 0.000 0.262 447 M C 1.249 177.561 176.300 0.020 0.000 1.079 447 M CA 0.932 56.243 55.300 0.018 0.000 1.104 447 M CB -0.316 32.294 32.600 0.017 0.000 1.409 447 M HN 0.430 nan 8.290 nan 0.000 0.467 448 E N 0.922 121.133 120.200 0.018 0.000 2.482 448 E HA 0.019 4.369 4.350 -0.000 0.000 0.196 448 E C 2.055 178.666 176.600 0.019 0.000 1.047 448 E CA 0.516 56.927 56.400 0.020 0.000 0.869 448 E CB -0.047 29.663 29.700 0.016 0.000 0.836 448 E HN 0.499 nan 8.360 nan 0.000 0.520 449 A N 2.641 125.471 122.820 0.018 0.000 1.865 449 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 449 A C -0.207 177.389 177.584 0.019 0.000 1.191 449 A CA 1.246 53.293 52.037 0.017 0.000 0.623 449 A CB -1.421 17.589 19.000 0.016 0.000 0.826 449 A HN 0.139 nan 8.150 nan 0.000 0.444 450 P HA -0.148 nan 4.420 nan 0.000 0.215 450 P C 1.764 179.081 177.300 0.030 0.000 1.157 450 P CA 1.043 64.157 63.100 0.023 0.000 0.868 450 P CB -0.099 31.615 31.700 0.023 0.000 0.788 451 L N -0.419 120.825 121.223 0.035 0.000 1.970 451 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 451 L C 2.446 179.339 176.870 0.039 0.000 1.071 451 L CA 1.968 56.836 54.840 0.047 0.000 0.751 451 L CB -0.809 41.282 42.059 0.053 0.000 0.889 451 L HN -0.285 nan 8.230 nan 0.000 0.432 452 R N -0.960 119.555 120.500 0.025 0.000 2.133 452 R HA -0.260 4.080 4.340 -0.000 0.000 0.247 452 R C 2.368 178.678 176.300 0.017 0.000 1.151 452 R CA 1.934 58.042 56.100 0.015 0.000 0.971 452 R CB -0.410 29.896 30.300 0.010 0.000 0.866 452 R HN 0.473 nan 8.270 nan 0.000 0.447 453 Q N 0.427 120.240 119.800 0.021 0.000 2.016 453 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 453 Q C 1.846 177.862 176.000 0.027 0.000 0.978 453 Q CA 1.619 57.434 55.803 0.020 0.000 0.833 453 Q CB -0.108 28.640 28.738 0.017 0.000 0.895 453 Q HN 0.262 nan 8.270 nan 0.000 0.427 454 I N -0.211 120.381 120.570 0.035 0.000 2.087 454 I HA -0.324 3.846 4.170 -0.000 0.000 0.240 454 I C 2.201 178.354 176.117 0.060 0.000 1.054 454 I CA 1.403 62.730 61.300 0.044 0.000 1.311 454 I CB -1.285 36.748 38.000 0.055 0.000 1.024 454 I HN 0.114 nan 8.210 nan 0.000 0.402 455 V N 1.001 120.961 119.914 0.077 0.000 2.250 455 V HA -0.317 3.803 4.120 -0.000 0.000 0.253 455 V C 2.607 178.725 176.094 0.040 0.000 1.065 455 V CA 2.232 64.577 62.300 0.074 0.000 1.039 455 V CB -0.753 31.076 31.823 0.010 0.000 0.647 455 V HN 0.359 nan 8.190 nan 0.000 0.446 456 L N 0.567 121.804 121.223 0.024 0.000 1.989 456 L HA -0.181 4.159 4.340 -0.000 0.000 0.211 456 L C 2.245 179.125 176.870 0.018 0.000 1.071 456 L CA 2.147 56.997 54.840 0.015 0.000 0.749 456 L CB -0.891 41.175 42.059 0.011 0.000 0.890 456 L HN 0.329 nan 8.230 nan 0.000 0.431 457 N N -0.697 118.015 118.700 0.020 0.000 2.094 457 N HA -0.226 4.514 4.740 -0.000 0.000 0.191 457 N C 1.836 177.357 175.510 0.019 0.000 1.023 457 N CA 1.879 54.939 53.050 0.017 0.000 0.857 457 N CB -1.025 37.471 38.487 0.016 0.000 1.013 457 N HN 0.461 nan 8.380 nan 0.000 0.426 458 C N -0.849 118.469 119.300 0.030 0.000 2.437 458 C HA 0.139 4.599 4.460 -0.000 0.000 0.283 458 C C 1.807 176.814 174.990 0.028 0.000 1.424 458 C CA 0.636 59.673 59.018 0.032 0.000 1.782 458 C CB -1.350 26.426 27.740 0.061 0.000 1.833 458 C HN 0.685 nan 8.230 nan 0.000 0.532 459 G N 0.449 109.263 108.800 0.024 0.000 2.157 459 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.248 459 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.248 459 G C -0.104 174.807 174.900 0.018 0.000 0.979 459 G CA 0.308 45.419 45.100 0.017 0.000 0.650 459 G HN 0.582 nan 8.290 nan 0.000 0.529 460 E N 0.365 120.580 120.200 0.025 0.000 2.359 460 E HA 0.410 4.760 4.350 -0.000 0.000 0.255 460 E C -0.008 176.586 176.600 -0.010 0.000 1.191 460 E CA -0.658 55.749 56.400 0.010 0.000 0.952 460 E CB 0.810 30.518 29.700 0.015 0.000 1.152 460 E HN 0.340 nan 8.360 nan 0.000 0.496 461 E N 1.329 121.511 120.200 -0.030 0.000 2.229 461 E HA 0.117 4.467 4.350 -0.000 0.000 0.283 461 E C -1.770 174.799 176.600 -0.052 0.000 1.030 461 E CA -1.629 54.752 56.400 -0.032 0.000 0.836 461 E CB 1.304 30.985 29.700 -0.030 0.000 1.068 461 E HN 0.223 nan 8.360 nan 0.000 0.401 462 P HA -0.109 nan 4.420 nan 0.000 0.211 462 P C 1.461 178.739 177.300 -0.037 0.000 1.183 462 P CA 1.071 64.149 63.100 -0.036 0.000 0.901 462 P CB 0.020 31.711 31.700 -0.015 0.000 0.762 463 S N -0.014 115.672 115.700 -0.023 0.000 2.451 463 S HA -0.275 4.195 4.470 -0.000 0.000 0.272 463 S C 2.022 176.605 174.600 -0.029 0.000 1.136 463 S CA 2.457 60.645 58.200 -0.020 0.000 1.209 463 S CB -2.148 61.043 63.200 -0.014 0.000 1.130 463 S HN -0.042 nan 8.310 nan 0.000 0.440 464 V N 1.547 121.439 119.914 -0.037 0.000 2.244 464 V HA -0.127 3.993 4.120 -0.000 0.000 0.244 464 V C 2.704 178.764 176.094 -0.056 0.000 1.042 464 V CA 1.832 64.108 62.300 -0.040 0.000 1.006 464 V CB -0.825 30.979 31.823 -0.031 0.000 0.641 464 V HN 0.507 nan 8.190 nan 0.000 0.446 465 V N 0.163 120.014 119.914 -0.104 0.000 2.392 465 V HA -0.281 3.839 4.120 -0.000 0.000 0.249 465 V C 2.628 178.692 176.094 -0.051 0.000 1.059 465 V CA 2.012 64.224 62.300 -0.145 0.000 1.051 465 V CB -1.060 30.482 31.823 -0.468 0.000 0.658 465 V HN 0.572 nan 8.190 nan 0.000 0.455 466 A N 0.748 123.543 122.820 -0.041 0.000 1.845 466 A HA -0.312 4.008 4.320 -0.000 0.000 0.215 466 A C 2.065 179.648 177.584 -0.002 0.000 1.195 466 A CA 2.344 54.377 52.037 -0.006 0.000 0.616 466 A CB -0.996 18.001 19.000 -0.005 0.000 0.832 466 A HN 0.666 nan 8.150 nan 0.000 0.443 467 N N -0.237 118.454 118.700 -0.015 0.000 2.060 467 N HA -0.237 4.503 4.740 -0.000 0.000 0.195 467 N C 1.806 177.300 175.510 -0.026 0.000 1.028 467 N CA 3.558 56.598 53.050 -0.017 0.000 0.861 467 N CB -0.613 37.860 38.487 -0.023 0.000 1.029 467 N HN 0.526 nan 8.380 nan 0.000 0.428 468 T N -2.037 112.481 114.554 -0.061 0.000 2.821 468 T HA -0.040 4.310 4.350 -0.000 0.000 0.267 468 T C 1.977 176.662 174.700 -0.025 0.000 1.046 468 T CA 1.441 63.473 62.100 -0.114 0.000 1.139 468 T CB -0.833 67.847 68.868 -0.312 0.000 0.871 468 T HN 0.035 nan 8.240 nan 0.000 0.454 469 V N 2.191 122.116 119.914 0.020 0.000 2.332 469 V HA -0.179 3.941 4.120 -0.000 0.000 0.248 469 V C 2.887 179.055 176.094 0.124 0.000 1.055 469 V CA 2.075 64.436 62.300 0.102 0.000 1.038 469 V CB -0.577 31.308 31.823 0.103 0.000 0.651 469 V HN 0.558 nan 8.190 nan 0.000 0.450 470 K N 0.272 120.711 120.400 0.066 0.000 2.152 470 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 470 K C 2.194 178.821 176.600 0.045 0.000 1.048 470 K CA 1.512 57.829 56.287 0.050 0.000 0.933 470 K CB -0.704 31.811 32.500 0.025 0.000 0.721 470 K HN 0.581 nan 8.250 nan 0.000 0.447 471 G N 1.262 110.082 108.800 0.034 0.000 2.498 471 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.219 471 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.219 471 G C 0.881 175.771 174.900 -0.017 0.000 1.119 471 G CA 0.873 45.974 45.100 0.001 0.000 0.766 471 G HN 0.386 nan 8.290 nan 0.000 0.552 472 G N -1.053 107.771 108.800 0.041 0.000 2.630 472 G HA2 0.513 4.473 3.960 -0.000 0.000 0.223 472 G HA3 0.513 4.473 3.960 -0.000 0.000 0.223 472 G C -0.888 174.013 174.900 0.002 0.000 1.434 472 G CA -0.406 44.663 45.100 -0.052 0.000 1.057 472 G HN 0.161 nan 8.290 nan 0.000 0.570 473 D N -2.152 118.254 120.400 0.011 0.000 2.579 473 D HA 0.482 5.122 4.640 -0.000 0.000 0.257 473 D C 0.822 177.169 176.300 0.079 0.000 1.176 473 D CA 0.511 54.530 54.000 0.032 0.000 0.914 473 D CB 1.839 42.632 40.800 -0.011 0.000 1.431 473 D HN 0.843 nan 8.370 nan 0.000 0.454 474 G N 1.388 110.224 108.800 0.060 0.000 2.651 474 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.315 474 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.315 474 G C 0.359 175.316 174.900 0.094 0.000 1.258 474 G CA 0.227 45.366 45.100 0.065 0.000 1.002 474 G HN 0.580 nan 8.290 nan 0.000 0.551 475 N N 0.383 119.145 118.700 0.104 0.000 2.320 475 N HA 0.180 4.920 4.740 -0.000 0.000 0.237 475 N C -0.161 175.440 175.510 0.152 0.000 1.129 475 N CA 0.013 53.126 53.050 0.104 0.000 0.854 475 N CB 0.345 38.874 38.487 0.071 0.000 1.083 475 N HN 0.465 nan 8.380 nan 0.000 0.504 476 Y N 1.197 121.527 120.300 0.050 0.000 2.359 476 Y HA 0.449 4.999 4.550 0.000 0.000 0.330 476 Y C 0.774 176.736 175.900 0.103 0.000 1.143 476 Y CA 0.078 58.221 58.100 0.071 0.000 1.318 476 Y CB 0.514 39.007 38.460 0.055 0.000 1.234 476 Y HN 0.139 nan 8.280 nan 0.000 0.522 477 G N 3.701 112.288 108.800 -0.354 0.000 2.619 477 G HA2 0.307 4.267 3.960 -0.000 0.000 0.305 477 G HA3 0.307 4.267 3.960 -0.000 0.000 0.305 477 G C -2.550 172.304 174.900 -0.076 0.000 1.330 477 G CA -0.878 44.134 45.100 -0.146 0.000 0.789 477 G HN 0.585 nan 8.290 nan 0.000 0.487 478 Y N 1.229 121.473 120.300 -0.093 0.000 2.350 478 Y HA 0.648 5.198 4.550 -0.000 0.000 0.338 478 Y C -0.610 175.183 175.900 -0.177 0.000 0.961 478 Y CA -1.449 56.543 58.100 -0.180 0.000 1.100 478 Y CB 1.987 40.377 38.460 -0.116 0.000 1.179 478 Y HN 0.472 nan 8.280 nan 0.000 0.454 479 N N 4.989 123.260 118.700 -0.714 0.000 2.678 479 N HA 0.243 4.983 4.740 -0.000 0.000 0.231 479 N C 0.592 175.607 175.510 -0.824 0.000 1.038 479 N CA 0.475 53.199 53.050 -0.544 0.000 0.932 479 N CB 1.088 39.369 38.487 -0.343 0.000 1.176 479 N HN 0.885 nan 8.380 nan 0.000 0.511 480 A N 3.511 125.923 122.820 -0.680 0.000 2.042 480 A HA -0.186 4.134 4.320 -0.000 0.000 0.222 480 A C 2.071 179.478 177.584 -0.295 0.000 1.167 480 A CA 2.065 53.826 52.037 -0.460 0.000 0.649 480 A CB -0.747 18.200 19.000 -0.089 0.000 0.809 480 A HN 0.725 nan 8.150 nan 0.000 0.457 481 A N -0.990 121.684 122.820 -0.242 0.000 1.930 481 A HA 0.009 4.329 4.320 -0.000 0.000 0.217 481 A C 2.166 179.653 177.584 -0.163 0.000 1.175 481 A CA 2.225 54.169 52.037 -0.155 0.000 0.627 481 A CB -0.682 18.247 19.000 -0.118 0.000 0.815 481 A HN 0.941 nan 8.150 nan 0.000 0.443 482 T N -3.424 110.993 114.554 -0.229 0.000 3.084 482 T HA 0.244 4.594 4.350 -0.000 0.000 0.270 482 T C 0.101 174.661 174.700 -0.234 0.000 1.008 482 T CA 0.590 62.578 62.100 -0.186 0.000 0.900 482 T CB -0.287 68.488 68.868 -0.155 0.000 1.084 482 T HN 0.578 nan 8.240 nan 0.000 0.538 483 E N 0.383 120.355 120.200 -0.379 0.000 2.494 483 E HA -0.223 4.127 4.350 -0.000 0.000 0.249 483 E C -0.608 175.763 176.600 -0.382 0.000 1.184 483 E CA 0.751 56.903 56.400 -0.413 0.000 0.727 483 E CB -2.195 27.453 29.700 -0.087 0.000 1.281 483 E HN 0.744 nan 8.360 nan 0.000 0.405 484 E N -0.302 119.621 120.200 -0.461 0.000 2.199 484 E HA 0.444 4.794 4.350 -0.000 0.000 0.269 484 E C -0.636 175.760 176.600 -0.341 0.000 0.899 484 E CA -0.693 55.531 56.400 -0.294 0.000 0.772 484 E CB 1.003 30.619 29.700 -0.139 0.000 1.155 484 E HN 0.098 nan 8.360 nan 0.000 0.408 485 Y N 0.853 121.153 120.300 0.001 0.000 2.298 485 Y HA 0.634 5.184 4.550 -0.000 0.000 0.329 485 Y C 1.176 177.024 175.900 -0.087 0.000 1.293 485 Y CA 0.319 58.350 58.100 -0.115 0.000 1.388 485 Y CB 1.363 39.752 38.460 -0.120 0.000 1.309 485 Y HN 0.644 nan 8.280 nan 0.000 0.544 486 G N 0.404 109.188 108.800 -0.027 0.000 2.336 486 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.286 486 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.286 486 G C -1.897 173.077 174.900 0.124 0.000 1.269 486 G CA -1.150 44.026 45.100 0.127 0.000 0.873 486 G HN 0.547 nan 8.290 nan 0.000 0.494 487 N N 1.244 120.025 118.700 0.134 0.000 2.415 487 N HA 0.128 4.868 4.740 -0.000 0.000 0.246 487 N C 1.705 177.243 175.510 0.047 0.000 1.078 487 N CA -0.559 52.560 53.050 0.115 0.000 0.942 487 N CB 0.729 39.279 38.487 0.104 0.000 1.140 487 N HN 0.384 nan 8.380 nan 0.000 0.501 488 M N 3.338 122.956 119.600 0.030 0.000 2.260 488 M HA -0.186 4.294 4.480 -0.000 0.000 0.261 488 M C 1.623 177.926 176.300 0.005 0.000 1.066 488 M CA 1.226 56.526 55.300 -0.000 0.000 1.082 488 M CB -0.485 32.116 32.600 0.001 0.000 1.388 488 M HN 0.596 nan 8.290 nan 0.000 0.419 489 I N -0.145 120.437 120.570 0.021 0.000 2.296 489 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 489 I C 1.853 177.978 176.117 0.013 0.000 1.087 489 I CA 0.863 62.173 61.300 0.017 0.000 1.393 489 I CB -0.267 37.747 38.000 0.024 0.000 1.093 489 I HN 0.154 nan 8.210 nan 0.000 0.421 490 D N 0.941 121.353 120.400 0.021 0.000 2.126 490 D HA -0.246 4.394 4.640 -0.000 0.000 0.190 490 D C 2.026 178.329 176.300 0.006 0.000 1.001 490 D CA 1.753 55.764 54.000 0.017 0.000 0.841 490 D CB -0.306 40.511 40.800 0.028 0.000 0.949 490 D HN 0.310 nan 8.370 nan 0.000 0.446 491 M N -0.811 118.788 119.600 -0.001 0.000 2.686 491 M HA 0.147 4.627 4.480 -0.000 0.000 0.246 491 M C 1.096 177.380 176.300 -0.025 0.000 1.096 491 M CA 0.770 56.058 55.300 -0.019 0.000 1.076 491 M CB 0.217 32.793 32.600 -0.039 0.000 1.504 491 M HN 0.119 nan 8.290 nan 0.000 0.524 492 G N 1.549 110.340 108.800 -0.016 0.000 2.160 492 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.244 492 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.244 492 G C -0.257 174.631 174.900 -0.021 0.000 1.022 492 G CA -0.429 44.662 45.100 -0.015 0.000 0.741 492 G HN 0.373 nan 8.290 nan 0.000 0.508 493 I N 1.557 122.113 120.570 -0.024 0.000 2.460 493 I HA 0.533 4.703 4.170 -0.000 0.000 0.277 493 I C 0.430 176.540 176.117 -0.012 0.000 1.057 493 I CA -1.283 60.001 61.300 -0.026 0.000 1.179 493 I CB 0.509 38.482 38.000 -0.045 0.000 1.329 493 I HN 0.406 nan 8.210 nan 0.000 0.478 494 L N 2.714 123.934 121.223 -0.005 0.000 2.409 494 L HA 0.816 5.156 4.340 -0.000 0.000 0.262 494 L C -1.448 175.425 176.870 0.006 0.000 0.992 494 L CA -0.594 54.248 54.840 0.004 0.000 0.817 494 L CB 3.188 45.251 42.059 0.007 0.000 1.350 494 L HN 0.101 nan 8.230 nan 0.000 0.411 495 D N 2.149 122.555 120.400 0.010 0.000 2.248 495 D HA 0.527 5.167 4.640 -0.000 0.000 0.246 495 D C -2.600 173.709 176.300 0.014 0.000 1.027 495 D CA -1.322 52.684 54.000 0.011 0.000 0.853 495 D CB 2.341 43.149 40.800 0.012 0.000 1.243 495 D HN 0.392 nan 8.370 nan 0.000 0.462 496 P HA 0.041 nan 4.420 nan 0.000 0.267 496 P C 0.820 178.131 177.300 0.019 0.000 1.200 496 P CA 0.032 63.143 63.100 0.019 0.000 0.772 496 P CB 0.682 32.395 31.700 0.022 0.000 0.855 497 T N 1.393 115.959 114.554 0.020 0.000 2.708 497 T HA -0.170 4.180 4.350 -0.000 0.000 0.266 497 T C 1.646 176.359 174.700 0.021 0.000 1.037 497 T CA 1.172 63.283 62.100 0.019 0.000 1.146 497 T CB -0.378 68.501 68.868 0.018 0.000 0.865 497 T HN 0.471 nan 8.240 nan 0.000 0.435 498 K N 0.529 120.943 120.400 0.023 0.000 2.032 498 K HA -0.199 4.121 4.320 -0.000 0.000 0.218 498 K C 2.403 179.023 176.600 0.032 0.000 1.054 498 K CA 2.045 58.349 56.287 0.028 0.000 0.941 498 K CB -0.629 31.890 32.500 0.031 0.000 0.720 498 K HN 0.289 nan 8.250 nan 0.000 0.449 499 V N 0.024 119.954 119.914 0.026 0.000 2.358 499 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 499 V C 1.796 177.908 176.094 0.031 0.000 1.047 499 V CA 2.548 64.862 62.300 0.025 0.000 1.035 499 V CB -0.637 31.190 31.823 0.007 0.000 0.658 499 V HN 0.404 nan 8.190 nan 0.000 0.452 500 T N 0.653 115.222 114.554 0.026 0.000 2.746 500 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 500 T C 1.935 176.654 174.700 0.032 0.000 1.039 500 T CA 2.135 64.251 62.100 0.027 0.000 1.142 500 T CB -0.379 68.503 68.868 0.023 0.000 0.866 500 T HN 0.662 nan 8.240 nan 0.000 0.444 501 R N 1.065 121.582 120.500 0.028 0.000 2.070 501 R HA -0.103 4.237 4.340 -0.000 0.000 0.232 501 R C 2.553 178.874 176.300 0.035 0.000 1.138 501 R CA 1.921 58.034 56.100 0.022 0.000 0.936 501 R CB -0.594 29.713 30.300 0.012 0.000 0.839 501 R HN 0.250 nan 8.270 nan 0.000 0.429 502 S N 1.153 116.890 115.700 0.062 0.000 2.389 502 S HA -0.296 4.174 4.470 -0.000 0.000 0.229 502 S C 2.161 176.886 174.600 0.209 0.000 1.048 502 S CA 1.704 59.991 58.200 0.146 0.000 1.117 502 S CB -0.760 62.553 63.200 0.188 0.000 1.020 502 S HN 0.631 nan 8.310 nan 0.000 0.430 503 A N 1.407 124.310 122.820 0.139 0.000 1.915 503 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 503 A C 2.170 179.817 177.584 0.105 0.000 1.198 503 A CA 1.859 53.965 52.037 0.115 0.000 0.647 503 A CB -0.942 18.094 19.000 0.060 0.000 0.825 503 A HN 0.472 nan 8.150 nan 0.000 0.456 504 L N -1.260 120.002 121.223 0.065 0.000 2.027 504 L HA -0.231 4.109 4.340 -0.000 0.000 0.206 504 L C 2.852 179.738 176.870 0.027 0.000 1.074 504 L CA 2.085 56.949 54.840 0.040 0.000 0.745 504 L CB -0.490 41.581 42.059 0.020 0.000 0.898 504 L HN 0.544 nan 8.230 nan 0.000 0.433 505 Q N -1.520 118.276 119.800 -0.007 0.000 2.119 505 Q HA -0.220 4.120 4.340 -0.000 0.000 0.201 505 Q C 2.002 177.934 176.000 -0.115 0.000 0.972 505 Q CA 1.627 57.374 55.803 -0.093 0.000 0.847 505 Q CB -0.090 28.540 28.738 -0.180 0.000 0.903 505 Q HN 0.446 nan 8.270 nan 0.000 0.433 506 Y N 0.027 120.327 120.300 -0.000 0.000 2.200 506 Y HA -0.178 4.372 4.550 0.000 0.000 0.290 506 Y C 2.304 178.204 175.900 0.000 0.000 1.137 506 Y CA 1.087 59.186 58.100 -0.001 0.000 1.163 506 Y CB -0.519 37.939 38.460 -0.004 0.000 0.988 506 Y HN 0.136 nan 8.280 nan 0.000 0.518 507 A N -0.142 122.776 122.820 0.163 0.000 1.902 507 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 507 A C 2.430 180.053 177.584 0.065 0.000 1.181 507 A CA 1.783 53.878 52.037 0.096 0.000 0.623 507 A CB -1.237 17.802 19.000 0.064 0.000 0.818 507 A HN 0.383 nan 8.150 nan 0.000 0.443 508 A N -0.446 122.398 122.820 0.040 0.000 2.019 508 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 508 A C 2.445 180.038 177.584 0.015 0.000 1.164 508 A CA 2.144 54.192 52.037 0.017 0.000 0.644 508 A CB -0.767 18.232 19.000 -0.002 0.000 0.805 508 A HN 0.722 nan 8.150 nan 0.000 0.449 509 S N -0.792 114.920 115.700 0.020 0.000 2.357 509 S HA -0.107 4.363 4.470 -0.000 0.000 0.221 509 S C 1.912 176.535 174.600 0.038 0.000 1.031 509 S CA 1.591 59.800 58.200 0.016 0.000 0.982 509 S CB -0.553 62.651 63.200 0.007 0.000 0.853 509 S HN 0.568 nan 8.310 nan 0.000 0.458 510 V N 1.440 121.391 119.914 0.062 0.000 2.809 510 V HA 0.221 4.341 4.120 -0.000 0.000 0.256 510 V C 2.474 178.591 176.094 0.038 0.000 1.080 510 V CA 1.546 63.879 62.300 0.054 0.000 1.102 510 V CB -0.742 31.119 31.823 0.064 0.000 0.705 510 V HN 0.623 nan 8.190 nan 0.000 0.475 511 A N -0.178 122.662 122.820 0.033 0.000 1.970 511 A HA 0.154 4.474 4.320 -0.000 0.000 0.216 511 A C 2.268 179.864 177.584 0.020 0.000 1.170 511 A CA 1.322 53.374 52.037 0.025 0.000 0.645 511 A CB -0.985 18.029 19.000 0.023 0.000 0.816 511 A HN 0.577 nan 8.150 nan 0.000 0.447 512 G N 0.077 108.888 108.800 0.018 0.000 2.414 512 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.215 512 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.215 512 G C 1.373 176.283 174.900 0.017 0.000 1.188 512 G CA 1.078 46.187 45.100 0.014 0.000 0.783 512 G HN 0.300 nan 8.290 nan 0.000 0.537 513 L N 0.340 121.575 121.223 0.020 0.000 2.021 513 L HA -0.097 4.243 4.340 -0.000 0.000 0.215 513 L C 3.016 179.899 176.870 0.022 0.000 1.074 513 L CA 1.630 56.483 54.840 0.022 0.000 0.760 513 L CB -0.690 41.386 42.059 0.027 0.000 0.889 513 L HN 0.250 nan 8.230 nan 0.000 0.433 514 M N -1.848 117.766 119.600 0.023 0.000 2.099 514 M HA -0.185 4.295 4.480 -0.000 0.000 0.262 514 M C 2.162 178.474 176.300 0.020 0.000 1.067 514 M CA 1.563 56.876 55.300 0.022 0.000 1.124 514 M CB -0.240 32.374 32.600 0.023 0.000 1.353 514 M HN 0.133 nan 8.290 nan 0.000 0.410 515 I N 0.036 120.617 120.570 0.018 0.000 2.850 515 I HA -0.204 3.966 4.170 -0.000 0.000 0.266 515 I C 1.382 177.509 176.117 0.017 0.000 1.257 515 I CA 1.130 62.440 61.300 0.016 0.000 1.465 515 I CB -0.287 37.722 38.000 0.013 0.000 1.091 515 I HN 0.387 nan 8.210 nan 0.000 0.467 516 T N -4.274 110.291 114.554 0.018 0.000 3.182 516 T HA 0.185 4.535 4.350 -0.000 0.000 0.277 516 T C 0.568 175.283 174.700 0.024 0.000 1.013 516 T CA -0.300 61.812 62.100 0.020 0.000 0.900 516 T CB -0.253 68.625 68.868 0.017 0.000 1.098 516 T HN -0.084 nan 8.240 nan 0.000 0.543 517 T N 2.677 117.246 114.554 0.025 0.000 2.832 517 T HA 0.291 4.641 4.350 -0.000 0.000 0.296 517 T C 0.628 175.349 174.700 0.034 0.000 0.968 517 T CA -0.363 61.753 62.100 0.026 0.000 1.107 517 T CB 1.360 70.242 68.868 0.023 0.000 0.916 517 T HN 0.058 nan 8.240 nan 0.000 0.517 518 E N 0.531 120.757 120.200 0.044 0.000 2.434 518 E HA 0.186 4.536 4.350 -0.000 0.000 0.207 518 E C 0.231 176.877 176.600 0.076 0.000 0.929 518 E CA 0.128 56.575 56.400 0.077 0.000 1.001 518 E CB 0.636 30.398 29.700 0.104 0.000 1.016 518 E HN 0.555 nan 8.360 nan 0.000 0.502 519 C N 0.333 119.632 119.300 -0.002 0.000 2.898 519 C HA 0.722 5.181 4.460 -0.000 0.000 0.304 519 C C -1.322 173.601 174.990 -0.111 0.000 1.237 519 C CA -0.578 58.346 59.018 -0.156 0.000 1.529 519 C CB 0.664 28.296 27.740 -0.181 0.000 2.021 519 C HN 0.165 nan 8.230 nan 0.000 0.474 520 M N 4.941 124.460 119.600 -0.135 0.000 2.149 520 M HA 0.397 4.877 4.480 -0.000 0.000 0.273 520 M C -1.125 175.236 176.300 0.103 0.000 0.972 520 M CA -0.338 54.996 55.300 0.057 0.000 0.984 520 M CB 1.829 34.571 32.600 0.238 0.000 1.699 520 M HN 0.388 nan 8.290 nan 0.000 0.462 521 V N 1.801 121.715 119.914 -0.000 0.000 2.532 521 V HA 0.849 4.969 4.120 -0.000 0.000 0.295 521 V C 0.063 176.077 176.094 -0.133 0.000 1.041 521 V CA -0.196 62.077 62.300 -0.045 0.000 0.926 521 V CB 1.884 33.676 31.823 -0.050 0.000 0.992 521 V HN 0.940 nan 8.190 nan 0.000 0.457 522 T N 1.869 116.305 114.554 -0.197 0.000 2.677 522 T HA 0.237 4.587 4.350 -0.000 0.000 0.305 522 T C -1.772 172.805 174.700 -0.205 0.000 1.569 522 T CA -0.638 61.298 62.100 -0.273 0.000 0.984 522 T CB 1.789 70.333 68.868 -0.540 0.000 1.629 522 T HN 0.682 nan 8.240 nan 0.000 0.494 523 D N 1.235 121.526 120.400 -0.181 0.000 2.348 523 D HA 0.360 5.000 4.640 -0.000 0.000 0.249 523 D C 0.075 176.314 176.300 -0.101 0.000 1.110 523 D CA -0.340 53.594 54.000 -0.109 0.000 0.967 523 D CB 0.963 41.715 40.800 -0.080 0.000 1.139 523 D HN 0.399 nan 8.370 nan 0.000 0.466 524 L N 2.142 123.334 121.223 -0.052 0.000 2.453 524 L HA 0.118 4.458 4.340 -0.000 0.000 0.272 524 L C -1.394 175.460 176.870 -0.027 0.000 1.182 524 L CA -1.335 53.490 54.840 -0.025 0.000 0.858 524 L CB 0.196 42.252 42.059 -0.005 0.000 1.120 524 L HN 0.229 nan 8.230 nan 0.000 0.474 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.097 63.100 -0.005 0.000 0.800 525 P CB 0.000 31.710 31.700 0.017 0.000 0.726