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 1xck_1_I 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 0.000 177.580 177.584 -0.006 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 3 A N 2.012 124.830 122.820 -0.002 0.000 2.566 3 A HA 0.489 4.809 4.320 -0.000 0.000 0.245 3 A C 0.381 177.965 177.584 -0.000 0.000 1.056 3 A CA 0.491 52.530 52.037 0.004 0.000 0.757 3 A CB -0.195 18.809 19.000 0.008 0.000 0.979 3 A HN 0.606 nan 8.150 nan 0.000 0.508 4 K N 1.344 121.748 120.400 0.006 0.000 2.168 4 K HA 0.442 4.762 4.320 -0.000 0.000 0.239 4 K C -0.938 175.677 176.600 0.026 0.000 0.999 4 K CA -0.666 55.621 56.287 -0.001 0.000 0.900 4 K CB 1.112 33.610 32.500 -0.003 0.000 1.111 4 K HN 0.716 nan 8.250 nan 0.000 0.452 5 D N 0.913 121.334 120.400 0.036 0.000 2.481 5 D HA 0.281 4.921 4.640 -0.000 0.000 0.246 5 D C -1.335 175.092 176.300 0.211 0.000 1.109 5 D CA -0.564 53.512 54.000 0.127 0.000 0.845 5 D CB 1.080 41.972 40.800 0.154 0.000 1.160 5 D HN 0.038 nan 8.370 nan 0.000 0.534 6 V N 4.635 124.629 119.914 0.134 0.000 2.398 6 V HA 0.440 4.560 4.120 -0.000 0.000 0.286 6 V C 0.358 176.368 176.094 -0.139 0.000 1.026 6 V CA -0.682 61.617 62.300 -0.002 0.000 0.868 6 V CB 1.588 33.353 31.823 -0.098 0.000 0.982 6 V HN 0.356 nan 8.190 nan 0.000 0.443 7 K N 3.663 123.877 120.400 -0.310 0.000 2.259 7 K HA 0.718 5.038 4.320 -0.000 0.000 0.249 7 K C -1.437 174.835 176.600 -0.545 0.000 0.942 7 K CA -0.485 55.545 56.287 -0.428 0.000 0.816 7 K CB 2.302 34.344 32.500 -0.763 0.000 1.155 7 K HN 0.429 nan 8.250 nan 0.000 0.428 8 F N -0.364 119.527 119.950 -0.099 0.000 2.594 8 F HA 0.356 4.883 4.527 0.000 0.000 0.335 8 F C 1.492 177.255 175.800 -0.063 0.000 1.058 8 F CA 0.061 58.027 58.000 -0.056 0.000 0.981 8 F CB 1.140 40.119 39.000 -0.035 0.000 1.289 8 F HN 0.817 nan 8.300 nan 0.000 0.490 9 G N 1.323 110.240 108.800 0.196 0.000 2.668 9 G HA2 -0.467 3.493 3.960 -0.000 0.000 0.429 9 G HA3 -0.467 3.493 3.960 -0.000 0.000 0.429 9 G C 1.398 176.316 174.900 0.030 0.000 1.182 9 G CA 1.191 46.344 45.100 0.089 0.000 0.911 9 G HN 0.736 nan 8.290 nan 0.000 0.631 10 N N 0.549 119.260 118.700 0.020 0.000 2.104 10 N HA -0.165 4.575 4.740 -0.000 0.000 0.190 10 N C 1.917 177.410 175.510 -0.027 0.000 1.024 10 N CA 2.038 55.087 53.050 -0.003 0.000 0.853 10 N CB -0.367 38.120 38.487 -0.001 0.000 1.008 10 N HN 0.551 nan 8.380 nan 0.000 0.424 11 D N 0.419 120.797 120.400 -0.036 0.000 2.123 11 D HA -0.087 4.553 4.640 -0.000 0.000 0.196 11 D C 1.738 177.947 176.300 -0.151 0.000 0.992 11 D CA 1.386 55.334 54.000 -0.086 0.000 0.833 11 D CB -0.235 40.512 40.800 -0.089 0.000 0.954 11 D HN 0.341 nan 8.370 nan 0.000 0.455 12 A N 0.321 123.049 122.820 -0.153 0.000 1.898 12 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 12 A C 2.347 179.881 177.584 -0.083 0.000 1.181 12 A CA 1.241 53.166 52.037 -0.186 0.000 0.620 12 A CB -0.422 18.491 19.000 -0.144 0.000 0.819 12 A HN 0.189 nan 8.150 nan 0.000 0.442 13 R N -0.309 120.165 120.500 -0.044 0.000 2.092 13 R HA -0.103 4.236 4.340 -0.000 0.000 0.231 13 R C 2.157 178.449 176.300 -0.014 0.000 1.119 13 R CA 1.557 57.648 56.100 -0.016 0.000 0.970 13 R CB -0.604 29.693 30.300 -0.005 0.000 0.864 13 R HN 0.591 nan 8.270 nan 0.000 0.440 14 V N -0.558 119.340 119.914 -0.026 0.000 2.427 14 V HA -0.155 3.965 4.120 -0.000 0.000 0.248 14 V C 1.936 178.024 176.094 -0.010 0.000 1.051 14 V CA 1.369 63.658 62.300 -0.017 0.000 1.048 14 V CB -0.371 31.439 31.823 -0.021 0.000 0.666 14 V HN 0.066 nan 8.190 nan 0.000 0.456 15 K N 0.207 120.593 120.400 -0.023 0.000 2.002 15 K HA -0.056 4.264 4.320 -0.000 0.000 0.209 15 K C 2.267 178.894 176.600 0.046 0.000 1.048 15 K CA 2.229 58.524 56.287 0.013 0.000 0.930 15 K CB -0.597 31.905 32.500 0.002 0.000 0.714 15 K HN 0.524 nan 8.250 nan 0.000 0.438 16 M N 0.354 119.979 119.600 0.043 0.000 2.080 16 M HA -0.211 4.269 4.480 -0.000 0.000 0.260 16 M C 2.264 178.581 176.300 0.029 0.000 1.068 16 M CA 1.238 56.566 55.300 0.046 0.000 1.109 16 M CB -0.417 32.206 32.600 0.038 0.000 1.342 16 M HN 0.046 nan 8.290 nan 0.000 0.405 17 L N 0.728 121.962 121.223 0.019 0.000 1.989 17 L HA -0.218 4.122 4.340 -0.000 0.000 0.211 17 L C 2.499 179.378 176.870 0.015 0.000 1.071 17 L CA 2.010 56.858 54.840 0.014 0.000 0.749 17 L CB -0.853 41.211 42.059 0.008 0.000 0.890 17 L HN 0.178 nan 8.230 nan 0.000 0.431 18 R N 0.086 120.595 120.500 0.015 0.000 2.117 18 R HA -0.115 4.225 4.340 -0.000 0.000 0.243 18 R C 2.118 178.429 176.300 0.018 0.000 1.143 18 R CA 1.907 58.016 56.100 0.016 0.000 0.968 18 R CB -1.473 28.837 30.300 0.017 0.000 0.863 18 R HN 0.496 nan 8.270 nan 0.000 0.444 19 G N -0.283 108.532 108.800 0.025 0.000 2.394 19 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.214 19 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.214 19 G C 1.446 176.354 174.900 0.015 0.000 1.176 19 G CA 0.950 46.064 45.100 0.023 0.000 0.786 19 G HN 0.381 nan 8.290 nan 0.000 0.533 20 V N -0.209 119.714 119.914 0.015 0.000 2.759 20 V HA -0.085 4.035 4.120 -0.000 0.000 0.256 20 V C 2.123 178.222 176.094 0.008 0.000 1.080 20 V CA 2.020 64.327 62.300 0.011 0.000 1.101 20 V CB -0.514 31.317 31.823 0.012 0.000 0.698 20 V HN 0.193 nan 8.190 nan 0.000 0.477 21 N N 1.051 119.756 118.700 0.009 0.000 2.142 21 N HA -0.088 4.652 4.740 -0.000 0.000 0.186 21 N C 1.856 177.369 175.510 0.005 0.000 1.023 21 N CA 1.849 54.903 53.050 0.007 0.000 0.852 21 N CB -0.427 38.064 38.487 0.007 0.000 0.998 21 N HN 0.509 nan 8.380 nan 0.000 0.424 22 V N 1.864 121.781 119.914 0.005 0.000 2.287 22 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 22 V C 2.455 178.549 176.094 0.000 0.000 1.053 22 V CA 1.196 63.497 62.300 0.002 0.000 1.027 22 V CB -0.620 31.205 31.823 0.003 0.000 0.646 22 V HN 0.196 nan 8.190 nan 0.000 0.447 23 L N 0.971 122.194 121.223 0.000 0.000 1.970 23 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 23 L C 2.472 179.341 176.870 -0.002 0.000 1.071 23 L CA 2.582 57.420 54.840 -0.003 0.000 0.751 23 L CB -1.104 40.953 42.059 -0.003 0.000 0.889 23 L HN 0.207 nan 8.230 nan 0.000 0.432 24 A N -0.581 122.239 122.820 0.001 0.000 1.865 24 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 24 A C 2.014 179.599 177.584 0.001 0.000 1.191 24 A CA 2.044 54.082 52.037 0.002 0.000 0.623 24 A CB -1.105 17.898 19.000 0.005 0.000 0.826 24 A HN 0.610 nan 8.150 nan 0.000 0.444 25 D N 0.013 120.414 120.400 0.002 0.000 2.182 25 D HA -0.059 4.581 4.640 -0.000 0.000 0.201 25 D C 2.099 178.398 176.300 -0.000 0.000 0.986 25 D CA 1.441 55.441 54.000 0.001 0.000 0.847 25 D CB -0.366 40.434 40.800 0.001 0.000 0.942 25 D HN 0.470 nan 8.370 nan 0.000 0.467 26 A N 0.364 123.183 122.820 -0.002 0.000 1.929 26 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 26 A C 2.477 180.058 177.584 -0.004 0.000 1.176 26 A CA 0.730 52.765 52.037 -0.003 0.000 0.628 26 A CB -0.376 18.621 19.000 -0.005 0.000 0.816 26 A HN 0.140 nan 8.150 nan 0.000 0.444 27 V N 1.092 121.004 119.914 -0.003 0.000 2.446 27 V HA -0.191 3.928 4.120 -0.000 0.000 0.244 27 V C 2.461 178.554 176.094 -0.002 0.000 1.039 27 V CA 2.043 64.341 62.300 -0.004 0.000 1.045 27 V CB -0.521 31.299 31.823 -0.005 0.000 0.681 27 V HN 0.830 nan 8.190 nan 0.000 0.459 28 K N 1.442 121.842 120.400 0.000 0.000 2.442 28 K HA -0.093 4.227 4.320 -0.000 0.000 0.198 28 K C 1.685 178.286 176.600 0.002 0.000 1.044 28 K CA 1.659 57.947 56.287 0.002 0.000 0.948 28 K CB -0.603 31.898 32.500 0.003 0.000 0.762 28 K HN 0.495 nan 8.250 nan 0.000 0.472 29 V N -0.398 119.516 119.914 0.001 0.000 3.305 29 V HA -0.090 4.030 4.120 -0.000 0.000 0.269 29 V C 1.958 178.053 176.094 0.001 0.000 1.157 29 V CA 1.476 63.777 62.300 0.001 0.000 1.157 29 V CB -0.889 30.935 31.823 0.000 0.000 0.772 29 V HN 0.525 nan 8.190 nan 0.000 0.498 30 T N -3.408 111.146 114.554 0.000 0.000 3.060 30 T HA 0.154 4.504 4.350 -0.000 0.000 0.249 30 T C 1.553 176.253 174.700 -0.000 0.000 1.079 30 T CA 0.550 62.650 62.100 -0.001 0.000 1.013 30 T CB 0.207 69.074 68.868 -0.002 0.000 0.975 30 T HN 0.304 nan 8.240 nan 0.000 0.518 31 L N 2.836 124.060 121.223 0.001 0.000 1.944 31 L HA 0.206 4.546 4.340 -0.000 0.000 0.218 31 L C 1.768 178.639 176.870 0.002 0.000 1.075 31 L CA 1.901 56.742 54.840 0.002 0.000 0.767 31 L CB -1.353 40.709 42.059 0.005 0.000 0.890 31 L HN 0.472 nan 8.230 nan 0.000 0.434 32 G N -1.595 107.207 108.800 0.004 0.000 2.683 32 G HA2 0.169 4.129 3.960 -0.000 0.000 0.260 32 G HA3 0.169 4.129 3.960 -0.000 0.000 0.260 32 G C -1.779 173.118 174.900 -0.005 0.000 1.238 32 G CA 0.100 45.201 45.100 0.002 0.000 0.934 32 G HN 0.366 nan 8.290 nan 0.000 0.534 33 P HA 0.019 nan 4.420 nan 0.000 0.226 33 P C 0.721 178.012 177.300 -0.014 0.000 1.153 33 P CA 0.840 63.928 63.100 -0.020 0.000 0.777 33 P CB 0.376 32.054 31.700 -0.037 0.000 0.794 34 K N 0.629 121.024 120.400 -0.008 0.000 2.570 34 K HA 0.245 4.565 4.320 -0.000 0.000 0.210 34 K C 1.054 177.654 176.600 0.000 0.000 1.048 34 K CA -0.224 56.062 56.287 -0.003 0.000 1.167 34 K CB -0.077 32.425 32.500 0.003 0.000 0.892 34 K HN 0.064 nan 8.250 nan 0.000 0.480 35 G N 1.493 110.292 108.800 -0.001 0.000 2.484 35 G HA2 0.034 3.993 3.960 -0.000 0.000 0.235 35 G HA3 0.034 3.993 3.960 -0.000 0.000 0.235 35 G C 0.261 175.160 174.900 -0.001 0.000 1.282 35 G CA -0.352 44.747 45.100 -0.000 0.000 0.857 35 G HN 0.100 nan 8.290 nan 0.000 0.571 36 R N 0.745 121.245 120.500 0.000 0.000 2.549 36 R HA 0.240 4.580 4.340 -0.000 0.000 0.259 36 R C -0.023 176.276 176.300 -0.001 0.000 1.095 36 R CA -0.757 55.343 56.100 -0.000 0.000 1.148 36 R CB 0.274 30.574 30.300 0.001 0.000 1.181 36 R HN 0.641 nan 8.270 nan 0.000 0.571 37 N N -0.970 117.729 118.700 -0.001 0.000 2.487 37 N HA 0.357 5.097 4.740 -0.000 0.000 0.292 37 N C -1.039 174.470 175.510 -0.002 0.000 1.108 37 N CA -0.512 52.537 53.050 -0.002 0.000 0.956 37 N CB 1.589 40.075 38.487 -0.001 0.000 1.176 37 N HN 0.081 nan 8.380 nan 0.000 0.484 38 V N 1.843 121.755 119.914 -0.003 0.000 2.495 38 V HA 0.380 4.500 4.120 -0.000 0.000 0.298 38 V C -0.379 175.712 176.094 -0.004 0.000 1.031 38 V CA -0.819 61.478 62.300 -0.004 0.000 0.871 38 V CB 1.805 33.626 31.823 -0.005 0.000 0.988 38 V HN 0.326 nan 8.190 nan 0.000 0.432 39 V N 6.129 126.040 119.914 -0.005 0.000 2.370 39 V HA 0.446 4.565 4.120 -0.000 0.000 0.279 39 V C -0.185 175.905 176.094 -0.007 0.000 1.029 39 V CA -0.419 61.878 62.300 -0.005 0.000 0.870 39 V CB 1.341 33.162 31.823 -0.004 0.000 0.984 39 V HN 0.618 nan 8.190 nan 0.000 0.451 40 L N 3.927 125.145 121.223 -0.008 0.000 2.280 40 L HA 0.490 4.830 4.340 -0.000 0.000 0.287 40 L C -0.095 176.768 176.870 -0.012 0.000 1.023 40 L CA -0.510 54.324 54.840 -0.011 0.000 0.819 40 L CB 1.456 43.508 42.059 -0.011 0.000 1.212 40 L HN 0.554 nan 8.230 nan 0.000 0.420 41 D N 3.396 123.786 120.400 -0.017 0.000 2.372 41 D HA 0.217 4.857 4.640 -0.000 0.000 0.243 41 D C -0.609 175.674 176.300 -0.028 0.000 1.121 41 D CA 0.254 54.241 54.000 -0.021 0.000 0.898 41 D CB 0.892 41.676 40.800 -0.027 0.000 1.202 41 D HN 0.334 nan 8.370 nan 0.000 0.428 42 K N 1.165 121.549 120.400 -0.027 0.000 2.426 42 K HA 0.206 4.526 4.320 -0.000 0.000 0.254 42 K C 1.081 177.635 176.600 -0.077 0.000 0.936 42 K CA -0.552 55.715 56.287 -0.034 0.000 0.801 42 K CB 1.755 34.260 32.500 0.008 0.000 1.139 42 K HN 0.416 nan 8.250 nan 0.000 0.424 43 S N 2.064 117.660 115.700 -0.174 0.000 2.389 43 S HA -0.174 4.296 4.470 -0.000 0.000 0.231 43 S C 0.493 174.857 174.600 -0.392 0.000 1.052 43 S CA 1.153 59.134 58.200 -0.364 0.000 1.053 43 S CB -0.372 62.465 63.200 -0.604 0.000 0.886 43 S HN 0.399 nan 8.310 nan 0.000 0.456 44 F N 2.596 122.544 119.950 -0.003 0.000 2.426 44 F HA 0.688 5.214 4.527 -0.001 0.000 0.348 44 F C 1.169 176.967 175.800 -0.003 0.000 1.124 44 F CA -0.164 57.834 58.000 -0.003 0.000 1.008 44 F CB 1.126 40.125 39.000 -0.002 0.000 1.139 44 F HN 0.540 nan 8.300 nan 0.000 0.452 45 G N 1.524 110.442 108.800 0.196 0.000 2.545 45 G HA2 0.247 4.207 3.960 -0.000 0.000 0.216 45 G HA3 0.247 4.207 3.960 -0.000 0.000 0.216 45 G C -0.842 174.095 174.900 0.061 0.000 1.314 45 G CA -0.587 44.577 45.100 0.106 0.000 0.906 45 G HN 1.024 nan 8.290 nan 0.000 0.563 46 A N 0.827 123.673 122.820 0.043 0.000 2.340 46 A HA 0.802 5.122 4.320 -0.000 0.000 0.268 46 A C -1.484 176.113 177.584 0.021 0.000 1.100 46 A CA -0.319 51.734 52.037 0.026 0.000 0.803 46 A CB 0.020 19.032 19.000 0.020 0.000 1.043 46 A HN 0.705 nan 8.150 nan 0.000 0.488 47 P HA 0.241 nan 4.420 nan 0.000 0.271 47 P C -0.304 177.000 177.300 0.006 0.000 1.233 47 P CA 0.063 63.166 63.100 0.005 0.000 0.789 47 P CB 0.406 32.106 31.700 0.001 0.000 0.951 48 T N 1.819 116.375 114.554 0.003 0.000 2.767 48 T HA 0.476 4.826 4.350 -0.000 0.000 0.288 48 T C 0.211 174.911 174.700 0.000 0.000 0.963 48 T CA -0.232 61.870 62.100 0.003 0.000 1.019 48 T CB -0.056 68.813 68.868 0.002 0.000 0.923 48 T HN 0.164 nan 8.240 nan 0.000 0.468 49 I N 2.901 123.471 120.570 0.001 0.000 2.336 49 I HA 0.515 4.685 4.170 -0.000 0.000 0.292 49 I C 0.513 176.629 176.117 -0.001 0.000 0.991 49 I CA -0.450 60.849 61.300 -0.000 0.000 1.227 49 I CB 1.724 39.724 38.000 0.000 0.000 1.366 49 I HN 0.506 nan 8.210 nan 0.000 0.466 50 T N 4.372 118.925 114.554 -0.002 0.000 2.843 50 T HA 0.403 4.752 4.350 -0.000 0.000 0.302 50 T C -0.128 174.570 174.700 -0.003 0.000 1.232 50 T CA -0.593 61.506 62.100 -0.002 0.000 1.009 50 T CB 1.776 70.642 68.868 -0.003 0.000 1.254 50 T HN 0.673 nan 8.240 nan 0.000 0.504 51 K N 1.091 121.490 120.400 -0.002 0.000 2.469 51 K HA 0.200 4.520 4.320 -0.000 0.000 0.204 51 K C -0.719 175.879 176.600 -0.002 0.000 1.047 51 K CA -0.243 56.042 56.287 -0.002 0.000 1.072 51 K CB 0.555 33.053 32.500 -0.002 0.000 0.863 51 K HN 0.473 nan 8.250 nan 0.000 0.530 52 D N 0.236 120.635 120.400 -0.003 0.000 2.380 52 D HA 0.101 4.741 4.640 -0.000 0.000 0.230 52 D C 1.219 177.516 176.300 -0.005 0.000 1.154 52 D CA -0.117 53.882 54.000 -0.003 0.000 0.859 52 D CB 1.214 42.013 40.800 -0.002 0.000 1.045 52 D HN 0.192 nan 8.370 nan 0.000 0.495 53 G N 2.450 111.247 108.800 -0.005 0.000 2.462 53 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.220 53 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.220 53 G C 1.428 176.321 174.900 -0.012 0.000 1.121 53 G CA 0.647 45.742 45.100 -0.007 0.000 0.758 53 G HN 0.488 nan 8.290 nan 0.000 0.559 54 V N 0.808 120.714 119.914 -0.013 0.000 2.453 54 V HA -0.143 3.977 4.120 -0.000 0.000 0.247 54 V C 3.031 179.113 176.094 -0.019 0.000 1.048 54 V CA 2.030 64.319 62.300 -0.018 0.000 1.049 54 V CB -0.384 31.428 31.823 -0.018 0.000 0.672 54 V HN 0.349 nan 8.190 nan 0.000 0.457 55 S N 0.168 115.859 115.700 -0.014 0.000 2.356 55 S HA -0.168 4.302 4.470 -0.000 0.000 0.223 55 S C 2.064 176.654 174.600 -0.017 0.000 1.032 55 S CA 1.585 59.776 58.200 -0.015 0.000 1.005 55 S CB -0.255 62.939 63.200 -0.010 0.000 0.867 55 S HN 0.377 nan 8.310 nan 0.000 0.449 56 V N 2.280 122.186 119.914 -0.014 0.000 2.255 56 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 56 V C 2.704 178.788 176.094 -0.017 0.000 1.051 56 V CA 1.807 64.099 62.300 -0.014 0.000 1.018 56 V CB -1.365 30.452 31.823 -0.011 0.000 0.641 56 V HN 0.547 nan 8.190 nan 0.000 0.445 57 A N -0.321 122.488 122.820 -0.018 0.000 1.917 57 A HA -0.308 4.011 4.320 -0.000 0.000 0.219 57 A C 2.417 179.985 177.584 -0.026 0.000 1.182 57 A CA 2.247 54.272 52.037 -0.021 0.000 0.633 57 A CB -0.688 18.299 19.000 -0.022 0.000 0.819 57 A HN 0.464 nan 8.150 nan 0.000 0.448 58 R N -0.609 119.874 120.500 -0.029 0.000 2.117 58 R HA -0.163 4.177 4.340 -0.000 0.000 0.243 58 R C 1.592 177.871 176.300 -0.034 0.000 1.143 58 R CA 1.644 57.723 56.100 -0.035 0.000 0.968 58 R CB -0.148 30.130 30.300 -0.036 0.000 0.863 58 R HN 0.512 nan 8.270 nan 0.000 0.444 59 E N 0.171 120.353 120.200 -0.029 0.000 2.358 59 E HA -0.031 4.318 4.350 -0.000 0.000 0.195 59 E C 0.405 176.989 176.600 -0.026 0.000 1.010 59 E CA 0.220 56.604 56.400 -0.028 0.000 0.856 59 E CB 0.112 29.798 29.700 -0.024 0.000 0.795 59 E HN 0.222 nan 8.360 nan 0.000 0.504 60 I N 2.077 122.633 120.570 -0.023 0.000 2.517 60 I HA 0.083 4.253 4.170 -0.000 0.000 0.285 60 I C 0.407 176.511 176.117 -0.022 0.000 1.106 60 I CA 0.383 61.671 61.300 -0.020 0.000 1.402 60 I CB -0.076 37.914 38.000 -0.016 0.000 1.399 60 I HN -0.038 nan 8.210 nan 0.000 0.535 61 E N 6.998 127.186 120.200 -0.021 0.000 2.343 61 E HA 0.437 4.787 4.350 -0.000 0.000 0.288 61 E C -1.681 174.908 176.600 -0.019 0.000 0.907 61 E CA -0.570 55.816 56.400 -0.022 0.000 0.792 61 E CB 1.786 31.470 29.700 -0.027 0.000 1.275 61 E HN 0.440 nan 8.360 nan 0.000 0.402 62 L N 3.433 124.646 121.223 -0.016 0.000 2.360 62 L HA 0.378 4.718 4.340 -0.000 0.000 0.271 62 L C 1.545 178.406 176.870 -0.015 0.000 1.057 62 L CA -0.414 54.420 54.840 -0.011 0.000 0.803 62 L CB 1.399 43.457 42.059 -0.001 0.000 1.207 62 L HN 0.747 nan 8.230 nan 0.000 0.445 63 E N 0.953 121.146 120.200 -0.010 0.000 2.072 63 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 63 E C 0.555 177.148 176.600 -0.012 0.000 0.985 63 E CA 0.519 56.911 56.400 -0.013 0.000 0.801 63 E CB 0.257 29.953 29.700 -0.008 0.000 0.750 63 E HN 0.678 nan 8.360 nan 0.000 0.452 64 D N 0.750 121.155 120.400 0.007 0.000 2.382 64 D HA -0.068 4.572 4.640 -0.000 0.000 0.259 64 D C 0.678 176.976 176.300 -0.004 0.000 1.224 64 D CA 0.031 54.048 54.000 0.028 0.000 0.894 64 D CB 0.889 41.729 40.800 0.068 0.000 1.127 64 D HN 0.068 nan 8.370 nan 0.000 0.487 65 K N 3.652 124.005 120.400 -0.078 0.000 2.074 65 K HA -0.188 4.132 4.320 -0.000 0.000 0.209 65 K C 1.912 178.369 176.600 -0.239 0.000 1.048 65 K CA 1.244 57.405 56.287 -0.210 0.000 0.926 65 K CB -0.375 31.906 32.500 -0.364 0.000 0.713 65 K HN 0.486 nan 8.250 nan 0.000 0.444 66 F N 1.800 121.735 119.950 -0.024 0.000 2.113 66 F HA -0.086 4.441 4.527 0.000 0.000 0.297 66 F C 2.485 178.273 175.800 -0.021 0.000 1.103 66 F CA 1.175 59.159 58.000 -0.027 0.000 1.248 66 F CB -0.562 38.422 39.000 -0.028 0.000 0.999 66 F HN 0.109 nan 8.300 nan 0.000 0.475 67 E N -0.081 120.222 120.200 0.171 0.000 2.118 67 E HA -0.273 4.076 4.350 -0.000 0.000 0.195 67 E C 1.870 178.496 176.600 0.043 0.000 0.992 67 E CA 1.395 57.848 56.400 0.088 0.000 0.804 67 E CB -0.358 29.380 29.700 0.063 0.000 0.741 67 E HN 0.320 nan 8.360 nan 0.000 0.458 68 N N 0.526 119.236 118.700 0.017 0.000 2.120 68 N HA -0.153 4.587 4.740 -0.000 0.000 0.188 68 N C 1.744 177.247 175.510 -0.012 0.000 1.024 68 N CA 1.287 54.331 53.050 -0.009 0.000 0.852 68 N CB 0.006 38.472 38.487 -0.034 0.000 1.003 68 N HN 0.069 nan 8.380 nan 0.000 0.424 69 M N -0.675 118.916 119.600 -0.015 0.000 2.108 69 M HA -0.065 4.415 4.480 -0.000 0.000 0.261 69 M C 2.172 178.479 176.300 0.011 0.000 1.066 69 M CA 1.712 57.005 55.300 -0.011 0.000 1.107 69 M CB -0.600 31.994 32.600 -0.010 0.000 1.356 69 M HN 0.329 nan 8.290 nan 0.000 0.406 70 G N -0.066 108.752 108.800 0.030 0.000 2.433 70 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.216 70 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.216 70 G C 1.628 176.536 174.900 0.014 0.000 1.186 70 G CA 1.046 46.163 45.100 0.028 0.000 0.779 70 G HN 0.544 nan 8.290 nan 0.000 0.543 71 A N -0.024 122.802 122.820 0.010 0.000 1.877 71 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 71 A C 2.412 179.992 177.584 -0.006 0.000 1.186 71 A CA 2.044 54.082 52.037 0.001 0.000 0.620 71 A CB -0.412 18.587 19.000 -0.002 0.000 0.822 71 A HN 0.315 nan 8.150 nan 0.000 0.443 72 Q N -0.648 119.146 119.800 -0.010 0.000 2.170 72 Q HA -0.131 4.209 4.340 -0.000 0.000 0.203 72 Q C 2.133 178.125 176.000 -0.013 0.000 0.976 72 Q CA 1.523 57.316 55.803 -0.016 0.000 0.858 72 Q CB -0.536 28.189 28.738 -0.021 0.000 0.907 72 Q HN 0.783 nan 8.270 nan 0.000 0.433 73 M N -0.205 119.392 119.600 -0.005 0.000 2.059 73 M HA -0.154 4.326 4.480 -0.000 0.000 0.259 73 M C 2.305 178.605 176.300 -0.001 0.000 1.072 73 M CA 1.689 56.989 55.300 -0.000 0.000 1.117 73 M CB -0.483 32.122 32.600 0.009 0.000 1.320 73 M HN 0.191 nan 8.290 nan 0.000 0.408 74 V N -0.507 119.409 119.914 0.002 0.000 2.548 74 V HA -0.221 3.899 4.120 -0.000 0.000 0.249 74 V C 2.048 178.135 176.094 -0.013 0.000 1.055 74 V CA 1.995 64.296 62.300 0.003 0.000 1.065 74 V CB -0.652 31.176 31.823 0.009 0.000 0.681 74 V HN 0.462 nan 8.190 nan 0.000 0.462 75 K N 0.006 120.395 120.400 -0.017 0.000 2.074 75 K HA -0.247 4.073 4.320 -0.000 0.000 0.209 75 K C 2.329 178.903 176.600 -0.045 0.000 1.048 75 K CA 2.235 58.505 56.287 -0.029 0.000 0.926 75 K CB -0.293 32.191 32.500 -0.026 0.000 0.713 75 K HN 0.721 nan 8.250 nan 0.000 0.444 76 E N -0.056 120.119 120.200 -0.042 0.000 2.015 76 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 76 E C 1.965 178.508 176.600 -0.095 0.000 0.991 76 E CA 1.694 58.060 56.400 -0.057 0.000 0.802 76 E CB 0.019 29.697 29.700 -0.038 0.000 0.759 76 E HN 0.298 nan 8.360 nan 0.000 0.447 77 V N -1.014 118.854 119.914 -0.076 0.000 2.759 77 V HA -0.040 4.080 4.120 -0.000 0.000 0.256 77 V C 2.144 178.109 176.094 -0.215 0.000 1.080 77 V CA 1.627 63.850 62.300 -0.128 0.000 1.101 77 V CB -0.524 31.317 31.823 0.030 0.000 0.698 77 V HN 0.275 nan 8.190 nan 0.000 0.477 78 A N 1.680 124.433 122.820 -0.111 0.000 1.930 78 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 78 A C 2.633 180.124 177.584 -0.155 0.000 1.175 78 A CA 2.311 54.292 52.037 -0.094 0.000 0.627 78 A CB -1.033 17.942 19.000 -0.042 0.000 0.815 78 A HN 0.982 nan 8.150 nan 0.000 0.443 79 S N 0.250 115.858 115.700 -0.154 0.000 2.382 79 S HA -0.219 4.251 4.470 -0.000 0.000 0.228 79 S C 1.819 176.282 174.600 -0.228 0.000 1.027 79 S CA 1.557 59.668 58.200 -0.148 0.000 0.991 79 S CB -0.484 62.650 63.200 -0.111 0.000 0.823 79 S HN 0.594 nan 8.310 nan 0.000 0.469 80 K N 1.549 121.719 120.400 -0.383 0.000 2.160 80 K HA -0.044 4.276 4.320 -0.000 0.000 0.206 80 K C 2.478 178.756 176.600 -0.536 0.000 1.047 80 K CA 1.231 57.181 56.287 -0.561 0.000 0.930 80 K CB -0.597 31.297 32.500 -1.010 0.000 0.720 80 K HN 0.565 nan 8.250 nan 0.000 0.450 81 A N 1.649 124.192 122.820 -0.462 0.000 1.877 81 A HA -0.215 4.104 4.320 -0.000 0.000 0.216 81 A C 1.929 179.483 177.584 -0.051 0.000 1.186 81 A CA 1.865 53.851 52.037 -0.086 0.000 0.620 81 A CB -0.618 18.402 19.000 0.033 0.000 0.822 81 A HN 0.277 nan 8.150 nan 0.000 0.443 82 N N 0.096 118.743 118.700 -0.088 0.000 2.166 82 N HA -0.131 4.609 4.740 -0.000 0.000 0.186 82 N C 1.173 176.626 175.510 -0.094 0.000 1.019 82 N CA 1.550 54.557 53.050 -0.072 0.000 0.856 82 N CB -0.173 38.272 38.487 -0.071 0.000 0.993 82 N HN 0.417 nan 8.380 nan 0.000 0.426 83 D N -0.247 120.086 120.400 -0.112 0.000 2.117 83 D HA -0.098 4.542 4.640 -0.000 0.000 0.197 83 D C 1.682 177.930 176.300 -0.086 0.000 0.987 83 D CA 1.176 55.109 54.000 -0.112 0.000 0.829 83 D CB -0.354 40.377 40.800 -0.115 0.000 0.961 83 D HN 0.368 nan 8.370 nan 0.000 0.460 84 A N 0.346 123.141 122.820 -0.041 0.000 1.930 84 A HA 0.236 4.555 4.320 -0.000 0.000 0.215 84 A C 1.980 179.566 177.584 0.003 0.000 1.176 84 A CA 1.680 53.725 52.037 0.013 0.000 0.632 84 A CB 0.036 19.105 19.000 0.115 0.000 0.819 84 A HN 0.227 nan 8.150 nan 0.000 0.445 85 A N -2.768 120.050 122.820 -0.004 0.000 2.551 85 A HA 0.477 4.797 4.320 -0.000 0.000 0.252 85 A C 1.515 179.087 177.584 -0.020 0.000 1.199 85 A CA 0.958 52.996 52.037 0.001 0.000 0.972 85 A CB -0.325 18.692 19.000 0.029 0.000 1.153 85 A HN 1.823 nan 8.150 nan 0.000 0.559 86 G N -0.509 108.245 108.800 -0.076 0.000 2.168 86 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.263 86 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.263 86 G C -0.132 174.754 174.900 -0.023 0.000 0.977 86 G CA 0.843 45.884 45.100 -0.098 0.000 0.659 86 G HN 1.001 nan 8.290 nan 0.000 0.533 87 D N -3.278 117.115 120.400 -0.012 0.000 2.755 87 D HA 0.570 5.210 4.640 -0.000 0.000 0.277 87 D C 0.804 177.108 176.300 0.007 0.000 1.261 87 D CA 1.457 55.458 54.000 0.002 0.000 0.759 87 D CB 0.150 40.960 40.800 0.016 0.000 1.279 87 D HN 1.429 nan 8.370 nan 0.000 0.420 88 G N -0.176 108.629 108.800 0.009 0.000 2.163 88 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.213 88 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.213 88 G C 1.071 175.979 174.900 0.013 0.000 0.991 88 G CA 0.782 45.893 45.100 0.018 0.000 0.653 88 G HN 0.567 nan 8.290 nan 0.000 0.518 89 T N 0.635 115.186 114.554 -0.005 0.000 2.777 89 T HA -0.048 4.302 4.350 -0.000 0.000 0.266 89 T C 2.617 177.313 174.700 -0.007 0.000 1.040 89 T CA 2.477 64.567 62.100 -0.017 0.000 1.141 89 T CB -0.274 68.574 68.868 -0.033 0.000 0.868 89 T HN 0.437 nan 8.240 nan 0.000 0.444 90 T N 1.385 115.937 114.554 -0.003 0.000 2.737 90 T HA -0.096 4.254 4.350 -0.000 0.000 0.265 90 T C 2.220 176.924 174.700 0.007 0.000 1.038 90 T CA 1.634 63.734 62.100 0.000 0.000 1.144 90 T CB -0.662 68.206 68.868 0.000 0.000 0.866 90 T HN 0.384 nan 8.240 nan 0.000 0.434 91 T N 2.189 116.750 114.554 0.011 0.000 2.652 91 T HA -0.111 4.238 4.350 -0.000 0.000 0.267 91 T C 2.387 177.101 174.700 0.023 0.000 1.039 91 T CA 1.335 63.445 62.100 0.017 0.000 1.153 91 T CB -0.659 68.222 68.868 0.020 0.000 0.863 91 T HN 0.437 nan 8.240 nan 0.000 0.428 92 A N 1.188 124.026 122.820 0.030 0.000 1.940 92 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 92 A C 2.548 180.151 177.584 0.032 0.000 1.176 92 A CA 2.241 54.305 52.037 0.044 0.000 0.631 92 A CB -1.261 17.775 19.000 0.059 0.000 0.814 92 A HN 0.511 nan 8.150 nan 0.000 0.446 93 T N -0.407 114.157 114.554 0.017 0.000 2.701 93 T HA -0.131 4.219 4.350 -0.000 0.000 0.263 93 T C 2.023 176.731 174.700 0.013 0.000 1.040 93 T CA 1.926 64.033 62.100 0.012 0.000 1.147 93 T CB -0.807 68.062 68.868 0.003 0.000 0.865 93 T HN 0.689 nan 8.240 nan 0.000 0.426 94 V N 0.935 120.856 119.914 0.012 0.000 2.490 94 V HA -0.054 4.066 4.120 -0.000 0.000 0.250 94 V C 2.174 178.276 176.094 0.014 0.000 1.061 94 V CA 1.451 63.758 62.300 0.011 0.000 1.064 94 V CB -0.960 30.869 31.823 0.010 0.000 0.670 94 V HN 0.472 nan 8.190 nan 0.000 0.461 95 L N 0.450 121.684 121.223 0.018 0.000 2.027 95 L HA -0.039 4.301 4.340 -0.000 0.000 0.206 95 L C 3.053 179.936 176.870 0.021 0.000 1.074 95 L CA 1.770 56.623 54.840 0.020 0.000 0.745 95 L CB -0.911 41.163 42.059 0.026 0.000 0.898 95 L HN 0.460 nan 8.230 nan 0.000 0.433 96 A N -0.613 122.222 122.820 0.025 0.000 1.933 96 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 96 A C 2.240 179.835 177.584 0.018 0.000 1.175 96 A CA 1.903 53.955 52.037 0.025 0.000 0.628 96 A CB -0.590 18.427 19.000 0.028 0.000 0.814 96 A HN 0.524 nan 8.150 nan 0.000 0.444 97 Q N -0.475 119.334 119.800 0.015 0.000 2.050 97 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 97 Q C 2.201 178.208 176.000 0.011 0.000 0.980 97 Q CA 1.684 57.494 55.803 0.012 0.000 0.840 97 Q CB -0.365 28.379 28.738 0.010 0.000 0.898 97 Q HN 0.588 nan 8.270 nan 0.000 0.424 98 A N 0.984 123.810 122.820 0.011 0.000 1.877 98 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 98 A C 2.019 179.609 177.584 0.010 0.000 1.186 98 A CA 1.573 53.616 52.037 0.010 0.000 0.620 98 A CB -0.756 18.250 19.000 0.010 0.000 0.822 98 A HN 0.496 nan 8.150 nan 0.000 0.443 99 I N -0.362 120.215 120.570 0.012 0.000 2.179 99 I HA -0.257 3.912 4.170 -0.000 0.000 0.242 99 I C 2.344 178.468 176.117 0.011 0.000 1.088 99 I CA 1.398 62.705 61.300 0.012 0.000 1.357 99 I CB -0.442 37.566 38.000 0.014 0.000 1.051 99 I HN 0.295 nan 8.210 nan 0.000 0.409 100 I N 0.470 121.048 120.570 0.013 0.000 2.208 100 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 100 I C 2.602 178.725 176.117 0.010 0.000 1.097 100 I CA 1.619 62.926 61.300 0.012 0.000 1.363 100 I CB -0.664 37.344 38.000 0.014 0.000 1.051 100 I HN 0.273 nan 8.210 nan 0.000 0.413 101 T N 0.226 114.785 114.554 0.009 0.000 2.622 101 T HA -0.169 4.181 4.350 -0.000 0.000 0.266 101 T C 1.843 176.546 174.700 0.006 0.000 1.047 101 T CA 1.336 63.440 62.100 0.007 0.000 1.159 101 T CB -0.208 68.664 68.868 0.006 0.000 0.863 101 T HN 0.273 nan 8.240 nan 0.000 0.422 102 E N 0.733 120.937 120.200 0.006 0.000 2.110 102 E HA -0.043 4.307 4.350 -0.000 0.000 0.193 102 E C 2.530 179.133 176.600 0.006 0.000 0.988 102 E CA 1.144 57.547 56.400 0.006 0.000 0.804 102 E CB -0.952 28.751 29.700 0.006 0.000 0.745 102 E HN 0.572 nan 8.360 nan 0.000 0.458 103 G N 1.367 110.171 108.800 0.007 0.000 2.446 103 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 103 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 103 G C 1.723 176.627 174.900 0.007 0.000 1.168 103 G CA 0.634 45.738 45.100 0.007 0.000 0.771 103 G HN 0.201 nan 8.290 nan 0.000 0.551 104 L N -0.177 121.050 121.223 0.007 0.000 2.141 104 L HA -0.032 4.308 4.340 -0.000 0.000 0.209 104 L C 2.940 179.813 176.870 0.004 0.000 1.094 104 L CA 0.967 55.811 54.840 0.006 0.000 0.763 104 L CB -0.328 41.735 42.059 0.006 0.000 0.908 104 L HN 0.202 nan 8.230 nan 0.000 0.437 105 K N 0.253 120.656 120.400 0.004 0.000 2.032 105 K HA -0.182 4.137 4.320 -0.000 0.000 0.209 105 K C 2.257 178.859 176.600 0.003 0.000 1.048 105 K CA 1.513 57.802 56.287 0.003 0.000 0.927 105 K CB -0.207 32.294 32.500 0.003 0.000 0.712 105 K HN 0.280 nan 8.250 nan 0.000 0.441 106 A N 0.924 123.747 122.820 0.004 0.000 1.908 106 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 106 A C 2.329 179.916 177.584 0.004 0.000 1.181 106 A CA 1.596 53.635 52.037 0.004 0.000 0.627 106 A CB -0.712 18.290 19.000 0.004 0.000 0.818 106 A HN 0.105 nan 8.150 nan 0.000 0.445 107 V N -0.197 119.720 119.914 0.005 0.000 2.332 107 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 107 V C 3.014 179.111 176.094 0.004 0.000 1.055 107 V CA 1.997 64.300 62.300 0.006 0.000 1.038 107 V CB -1.196 30.631 31.823 0.007 0.000 0.651 107 V HN 0.625 nan 8.190 nan 0.000 0.450 108 A N -0.123 122.699 122.820 0.003 0.000 1.969 108 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 108 A C 2.258 179.842 177.584 0.001 0.000 1.169 108 A CA 1.536 53.574 52.037 0.002 0.000 0.635 108 A CB -0.560 18.441 19.000 0.001 0.000 0.810 108 A HN 0.583 nan 8.150 nan 0.000 0.445 109 A N -1.639 121.181 122.820 0.001 0.000 2.239 109 A HA 0.380 4.699 4.320 -0.000 0.000 0.209 109 A C 1.763 179.348 177.584 0.001 0.000 1.171 109 A CA 1.285 53.323 52.037 0.001 0.000 0.768 109 A CB -0.974 18.027 19.000 0.001 0.000 0.790 109 A HN 1.860 nan 8.150 nan 0.000 0.478 110 G N -1.926 106.875 108.800 0.001 0.000 2.141 110 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.231 110 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.231 110 G C 0.157 175.058 174.900 0.002 0.000 0.984 110 G CA 0.241 45.342 45.100 0.001 0.000 0.660 110 G HN 0.394 nan 8.290 nan 0.000 0.525 111 M N 0.595 120.196 119.600 0.003 0.000 2.241 111 M HA 0.227 4.707 4.480 -0.000 0.000 0.335 111 M C 0.753 177.055 176.300 0.004 0.000 1.122 111 M CA -0.512 54.789 55.300 0.003 0.000 1.164 111 M CB 0.478 33.080 32.600 0.003 0.000 1.459 111 M HN 0.175 nan 8.290 nan 0.000 0.461 112 N N 2.603 121.306 118.700 0.004 0.000 2.452 112 N HA 0.072 4.812 4.740 -0.000 0.000 0.266 112 N C -2.117 173.397 175.510 0.007 0.000 1.209 112 N CA -1.144 51.909 53.050 0.005 0.000 0.929 112 N CB 1.180 39.670 38.487 0.005 0.000 1.063 112 N HN 0.291 nan 8.380 nan 0.000 0.472 113 P HA -0.139 nan 4.420 nan 0.000 0.215 113 P C 1.686 178.992 177.300 0.009 0.000 1.157 113 P CA 1.431 64.537 63.100 0.010 0.000 0.874 113 P CB 0.199 31.906 31.700 0.013 0.000 0.790 114 M N -0.845 118.760 119.600 0.009 0.000 2.159 114 M HA -0.141 4.339 4.480 -0.000 0.000 0.263 114 M C 1.513 177.816 176.300 0.006 0.000 1.063 114 M CA 1.658 56.963 55.300 0.008 0.000 1.110 114 M CB -1.745 30.860 32.600 0.008 0.000 1.374 114 M HN 0.003 nan 8.290 nan 0.000 0.411 115 D N 0.391 120.794 120.400 0.005 0.000 2.149 115 D HA -0.030 4.610 4.640 -0.000 0.000 0.201 115 D C 2.332 178.634 176.300 0.004 0.000 0.972 115 D CA 0.901 54.904 54.000 0.004 0.000 0.835 115 D CB -0.090 40.712 40.800 0.003 0.000 0.966 115 D HN 0.326 nan 8.370 nan 0.000 0.476 116 L N 0.893 122.119 121.223 0.005 0.000 2.042 116 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 116 L C 2.558 179.431 176.870 0.005 0.000 1.076 116 L CA 1.190 56.033 54.840 0.005 0.000 0.749 116 L CB -0.330 41.733 42.059 0.006 0.000 0.893 116 L HN -0.011 nan 8.230 nan 0.000 0.432 117 K N 0.421 120.825 120.400 0.006 0.000 2.026 117 K HA -0.232 4.088 4.320 -0.000 0.000 0.208 117 K C 2.347 178.949 176.600 0.003 0.000 1.048 117 K CA 1.406 57.696 56.287 0.005 0.000 0.929 117 K CB -0.059 32.445 32.500 0.006 0.000 0.713 117 K HN 0.069 nan 8.250 nan 0.000 0.439 118 R N -0.224 120.278 120.500 0.002 0.000 2.105 118 R HA -0.109 4.231 4.340 -0.000 0.000 0.239 118 R C 2.285 178.585 176.300 -0.000 0.000 1.135 118 R CA 1.726 57.827 56.100 0.000 0.000 0.967 118 R CB -0.502 29.799 30.300 0.001 0.000 0.861 118 R HN 0.434 nan 8.270 nan 0.000 0.442 119 G N 0.549 109.350 108.800 0.001 0.000 2.402 119 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.216 119 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.216 119 G C 1.422 176.323 174.900 0.001 0.000 1.162 119 G CA 0.710 45.810 45.100 0.001 0.000 0.777 119 G HN 0.247 nan 8.290 nan 0.000 0.539 120 I N 1.047 121.618 120.570 0.001 0.000 2.179 120 I HA -0.144 4.026 4.170 -0.000 0.000 0.242 120 I C 2.294 178.410 176.117 -0.002 0.000 1.088 120 I CA 1.237 62.538 61.300 0.001 0.000 1.357 120 I CB -0.191 37.811 38.000 0.003 0.000 1.051 120 I HN 0.051 nan 8.210 nan 0.000 0.409 121 D N 0.835 121.233 120.400 -0.004 0.000 2.123 121 D HA -0.220 4.420 4.640 -0.000 0.000 0.196 121 D C 2.055 178.349 176.300 -0.009 0.000 0.992 121 D CA 1.235 55.230 54.000 -0.009 0.000 0.833 121 D CB -0.231 40.564 40.800 -0.009 0.000 0.954 121 D HN 0.292 nan 8.370 nan 0.000 0.455 122 K N 0.717 121.113 120.400 -0.006 0.000 2.026 122 K HA -0.116 4.204 4.320 -0.000 0.000 0.208 122 K C 2.066 178.664 176.600 -0.005 0.000 1.048 122 K CA 1.334 57.617 56.287 -0.005 0.000 0.929 122 K CB -0.070 32.428 32.500 -0.003 0.000 0.713 122 K HN 0.017 nan 8.250 nan 0.000 0.439 123 A N 0.649 123.467 122.820 -0.003 0.000 1.883 123 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 123 A C 2.260 179.842 177.584 -0.004 0.000 1.186 123 A CA 1.911 53.947 52.037 -0.001 0.000 0.624 123 A CB -0.795 18.206 19.000 0.001 0.000 0.822 123 A HN 0.192 nan 8.150 nan 0.000 0.444 124 V N -0.315 119.595 119.914 -0.007 0.000 2.295 124 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 124 V C 2.757 178.842 176.094 -0.016 0.000 1.049 124 V CA 2.509 64.802 62.300 -0.012 0.000 1.024 124 V CB -1.367 30.445 31.823 -0.018 0.000 0.648 124 V HN 0.626 nan 8.190 nan 0.000 0.447 125 T N 0.572 115.116 114.554 -0.016 0.000 2.684 125 T HA -0.233 4.117 4.350 -0.000 0.000 0.267 125 T C 2.055 176.749 174.700 -0.011 0.000 1.036 125 T CA 1.851 63.941 62.100 -0.017 0.000 1.148 125 T CB -0.518 68.341 68.868 -0.015 0.000 0.863 125 T HN 0.584 nan 8.240 nan 0.000 0.436 126 A N 1.350 124.166 122.820 -0.007 0.000 1.933 126 A HA 0.148 4.468 4.320 -0.000 0.000 0.218 126 A C 2.644 180.227 177.584 -0.002 0.000 1.175 126 A CA 1.871 53.906 52.037 -0.003 0.000 0.628 126 A CB -1.078 17.921 19.000 -0.001 0.000 0.814 126 A HN 0.523 nan 8.150 nan 0.000 0.444 127 A N -0.604 122.215 122.820 -0.002 0.000 1.933 127 A HA 0.015 4.334 4.320 -0.000 0.000 0.218 127 A C 2.191 179.774 177.584 -0.001 0.000 1.175 127 A CA 1.709 53.746 52.037 0.000 0.000 0.628 127 A CB -0.858 18.142 19.000 0.001 0.000 0.814 127 A HN 0.393 nan 8.150 nan 0.000 0.444 128 V N 0.307 120.217 119.914 -0.007 0.000 2.407 128 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 128 V C 2.538 178.629 176.094 -0.005 0.000 1.055 128 V CA 2.073 64.368 62.300 -0.010 0.000 1.049 128 V CB -0.678 31.133 31.823 -0.020 0.000 0.662 128 V HN 0.493 nan 8.190 nan 0.000 0.455 129 E N -0.041 120.157 120.200 -0.004 0.000 2.047 129 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 129 E C 2.205 178.807 176.600 0.003 0.000 0.987 129 E CA 1.001 57.401 56.400 -0.001 0.000 0.799 129 E CB -0.346 29.354 29.700 -0.001 0.000 0.752 129 E HN 0.539 nan 8.360 nan 0.000 0.449 130 E N 0.476 120.679 120.200 0.005 0.000 2.209 130 E HA -0.137 4.213 4.350 -0.000 0.000 0.196 130 E C 1.781 178.388 176.600 0.011 0.000 0.993 130 E CA 0.296 56.702 56.400 0.009 0.000 0.819 130 E CB -0.174 29.532 29.700 0.010 0.000 0.745 130 E HN 0.050 nan 8.360 nan 0.000 0.477 131 L N 0.387 121.615 121.223 0.008 0.000 2.109 131 L HA -0.039 4.301 4.340 -0.000 0.000 0.207 131 L C 1.697 178.573 176.870 0.010 0.000 1.086 131 L CA 1.658 56.503 54.840 0.010 0.000 0.760 131 L CB -0.221 41.842 42.059 0.006 0.000 0.910 131 L HN -0.005 nan 8.230 nan 0.000 0.437 132 K N -1.073 119.331 120.400 0.007 0.000 2.148 132 K HA -0.035 4.285 4.320 -0.000 0.000 0.204 132 K C 2.067 178.672 176.600 0.010 0.000 1.050 132 K CA 1.101 57.393 56.287 0.007 0.000 0.942 132 K CB -0.227 32.276 32.500 0.005 0.000 0.724 132 K HN 0.340 nan 8.250 nan 0.000 0.446 133 A N 1.589 124.415 122.820 0.010 0.000 1.898 133 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 133 A C 2.007 179.600 177.584 0.015 0.000 1.181 133 A CA 0.903 52.947 52.037 0.012 0.000 0.620 133 A CB -0.467 18.540 19.000 0.012 0.000 0.819 133 A HN 0.209 nan 8.150 nan 0.000 0.442 134 L N 0.163 121.397 121.223 0.017 0.000 2.201 134 L HA 0.004 4.344 4.340 -0.000 0.000 0.212 134 L C 1.263 178.146 176.870 0.021 0.000 1.105 134 L CA 1.360 56.213 54.840 0.022 0.000 0.775 134 L CB -1.075 40.999 42.059 0.024 0.000 0.913 134 L HN 0.385 nan 8.230 nan 0.000 0.440 135 S N -0.347 115.364 115.700 0.017 0.000 2.552 135 S HA 0.139 4.609 4.470 -0.000 0.000 0.289 135 S C -0.159 174.450 174.600 0.015 0.000 1.304 135 S CA -0.367 57.842 58.200 0.016 0.000 1.063 135 S CB 0.600 63.808 63.200 0.013 0.000 0.848 135 S HN 0.087 nan 8.310 nan 0.000 0.499 136 V N 7.998 127.921 119.914 0.015 0.000 2.459 136 V HA 0.421 4.540 4.120 -0.000 0.000 0.295 136 V C -2.109 173.992 176.094 0.013 0.000 1.029 136 V CA -1.905 60.404 62.300 0.015 0.000 0.874 136 V CB 1.574 33.406 31.823 0.016 0.000 0.985 136 V HN 0.774 nan 8.190 nan 0.000 0.438 137 P HA 0.167 nan 4.420 nan 0.000 0.272 137 P C -0.769 176.537 177.300 0.010 0.000 1.223 137 P CA -0.199 62.907 63.100 0.011 0.000 0.784 137 P CB 0.464 32.170 31.700 0.010 0.000 0.923 138 C N 2.570 121.876 119.300 0.010 0.000 2.978 138 C HA 0.465 4.925 4.460 -0.000 0.000 0.274 138 C C 0.980 175.975 174.990 0.009 0.000 1.087 138 C CA 0.151 59.174 59.018 0.009 0.000 1.453 138 C CB -1.309 26.436 27.740 0.010 0.000 1.838 138 C HN 0.572 nan 8.230 nan 0.000 0.470 139 S N 1.520 117.224 115.700 0.008 0.000 2.979 139 S HA 0.135 4.605 4.470 -0.000 0.000 0.243 139 S C 0.257 174.860 174.600 0.006 0.000 1.036 139 S CA 0.079 58.283 58.200 0.007 0.000 0.846 139 S CB -0.198 63.006 63.200 0.007 0.000 0.806 139 S HN 0.935 nan 8.310 nan 0.000 0.568 140 D N 2.724 123.127 120.400 0.005 0.000 2.443 140 D HA 0.020 4.660 4.640 -0.000 0.000 0.239 140 D C 0.957 177.259 176.300 0.003 0.000 1.136 140 D CA 0.490 54.492 54.000 0.004 0.000 0.879 140 D CB 0.872 41.675 40.800 0.004 0.000 1.195 140 D HN 0.278 nan 8.370 nan 0.000 0.443 141 S N 1.400 117.101 115.700 0.002 0.000 2.500 141 S HA -0.233 4.237 4.470 -0.000 0.000 0.239 141 S C 1.541 176.141 174.600 0.001 0.000 0.989 141 S CA 0.825 59.026 58.200 0.001 0.000 0.951 141 S CB -0.284 62.916 63.200 0.000 0.000 0.759 141 S HN 0.661 nan 8.310 nan 0.000 0.523 142 K N 1.447 121.847 120.400 0.001 0.000 2.103 142 K HA 0.088 4.408 4.320 -0.000 0.000 0.204 142 K C 2.237 178.838 176.600 0.001 0.000 1.052 142 K CA 0.985 57.273 56.287 0.001 0.000 0.945 142 K CB -0.488 32.013 32.500 0.002 0.000 0.722 142 K HN 0.439 nan 8.250 nan 0.000 0.443 143 A N 1.424 124.245 122.820 0.002 0.000 1.897 143 A HA -0.037 4.283 4.320 -0.000 0.000 0.215 143 A C 2.032 179.618 177.584 0.003 0.000 1.181 143 A CA 0.945 52.984 52.037 0.003 0.000 0.620 143 A CB -0.468 18.535 19.000 0.005 0.000 0.821 143 A HN 0.296 nan 8.150 nan 0.000 0.443 144 I N 0.036 120.608 120.570 0.002 0.000 2.248 144 I HA -0.334 3.836 4.170 -0.000 0.000 0.248 144 I C 2.918 179.034 176.117 -0.001 0.000 1.107 144 I CA 1.143 62.444 61.300 0.002 0.000 1.373 144 I CB -0.348 37.653 38.000 0.001 0.000 1.055 144 I HN 0.383 nan 8.210 nan 0.000 0.418 145 A N 0.404 123.223 122.820 -0.002 0.000 1.873 145 A HA -0.228 4.092 4.320 -0.000 0.000 0.215 145 A C 2.263 179.844 177.584 -0.004 0.000 1.186 145 A CA 1.381 53.416 52.037 -0.004 0.000 0.616 145 A CB -0.587 18.411 19.000 -0.004 0.000 0.823 145 A HN 0.468 nan 8.150 nan 0.000 0.442 146 Q N -0.341 119.458 119.800 -0.002 0.000 2.096 146 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 146 Q C 2.143 178.141 176.000 -0.002 0.000 0.982 146 Q CA 1.715 57.516 55.803 -0.002 0.000 0.850 146 Q CB -0.478 28.259 28.738 -0.001 0.000 0.901 146 Q HN 0.482 nan 8.270 nan 0.000 0.422 147 V N 0.779 120.693 119.914 -0.001 0.000 2.261 147 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 147 V C 2.318 178.411 176.094 -0.002 0.000 1.047 147 V CA 2.047 64.347 62.300 0.001 0.000 1.015 147 V CB -1.293 30.533 31.823 0.004 0.000 0.642 147 V HN 0.557 nan 8.190 nan 0.000 0.446 148 G N -0.498 108.299 108.800 -0.004 0.000 2.442 148 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.219 148 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.219 148 G C 1.677 176.571 174.900 -0.010 0.000 1.141 148 G CA 1.655 46.750 45.100 -0.009 0.000 0.763 148 G HN 0.486 nan 8.290 nan 0.000 0.554 149 T N 1.235 115.784 114.554 -0.009 0.000 2.777 149 T HA -0.014 4.336 4.350 -0.000 0.000 0.266 149 T C 2.387 177.081 174.700 -0.009 0.000 1.040 149 T CA 0.917 63.011 62.100 -0.009 0.000 1.141 149 T CB -0.126 68.737 68.868 -0.008 0.000 0.868 149 T HN 0.267 nan 8.240 nan 0.000 0.444 150 I N 1.300 121.865 120.570 -0.008 0.000 2.315 150 I HA -0.144 4.026 4.170 -0.000 0.000 0.248 150 I C 2.528 178.641 176.117 -0.008 0.000 1.117 150 I CA 0.969 62.264 61.300 -0.009 0.000 1.404 150 I CB -0.328 37.667 38.000 -0.008 0.000 1.071 150 I HN 0.192 nan 8.210 nan 0.000 0.419 151 S N 0.886 116.583 115.700 -0.005 0.000 2.428 151 S HA 0.004 4.474 4.470 -0.000 0.000 0.230 151 S C 1.951 176.547 174.600 -0.007 0.000 1.014 151 S CA 0.970 59.169 58.200 -0.003 0.000 0.957 151 S CB -0.168 63.033 63.200 0.001 0.000 0.784 151 S HN 0.506 nan 8.310 nan 0.000 0.499 152 A N 1.263 124.076 122.820 -0.010 0.000 2.259 152 A HA 0.284 4.604 4.320 -0.000 0.000 0.208 152 A C 0.799 178.376 177.584 -0.011 0.000 1.201 152 A CA 0.230 52.260 52.037 -0.013 0.000 0.824 152 A CB -0.678 18.313 19.000 -0.016 0.000 0.838 152 A HN 0.483 nan 8.150 nan 0.000 0.485 153 N N -1.444 117.250 118.700 -0.011 0.000 2.862 153 N HA -0.202 4.538 4.740 -0.000 0.000 0.246 153 N C 0.158 175.661 175.510 -0.012 0.000 1.111 153 N CA 1.066 54.109 53.050 -0.011 0.000 0.688 153 N CB -1.865 36.616 38.487 -0.011 0.000 1.018 153 N HN 0.431 nan 8.380 nan 0.000 0.556 154 S N -1.602 114.091 115.700 -0.012 0.000 3.450 154 S HA -0.211 4.259 4.470 -0.000 0.000 0.288 154 S C -0.479 174.115 174.600 -0.011 0.000 1.256 154 S CA 0.756 58.949 58.200 -0.012 0.000 0.910 154 S CB -1.077 62.115 63.200 -0.013 0.000 1.090 154 S HN 0.722 nan 8.310 nan 0.000 0.630 155 D N 1.273 121.666 120.400 -0.011 0.000 2.411 155 D HA 0.288 4.928 4.640 -0.000 0.000 0.225 155 D C 1.055 177.349 176.300 -0.010 0.000 1.156 155 D CA -0.271 53.723 54.000 -0.011 0.000 0.874 155 D CB 0.612 41.405 40.800 -0.012 0.000 1.034 155 D HN 0.458 nan 8.370 nan 0.000 0.502 156 E N 1.203 121.397 120.200 -0.009 0.000 2.160 156 E HA -0.148 4.201 4.350 -0.000 0.000 0.195 156 E C 1.528 178.123 176.600 -0.009 0.000 0.991 156 E CA 1.193 57.588 56.400 -0.008 0.000 0.810 156 E CB 0.263 29.959 29.700 -0.007 0.000 0.742 156 E HN 0.484 nan 8.360 nan 0.000 0.466 157 T N 0.744 115.293 114.554 -0.010 0.000 2.684 157 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 157 T C 2.103 176.795 174.700 -0.013 0.000 1.036 157 T CA 1.416 63.510 62.100 -0.010 0.000 1.148 157 T CB -0.290 68.572 68.868 -0.010 0.000 0.863 157 T HN 0.011 nan 8.240 nan 0.000 0.436 158 V N 1.467 121.372 119.914 -0.014 0.000 2.343 158 V HA -0.096 4.024 4.120 -0.000 0.000 0.247 158 V C 2.894 178.978 176.094 -0.017 0.000 1.051 158 V CA 1.887 64.176 62.300 -0.018 0.000 1.036 158 V CB -1.516 30.294 31.823 -0.020 0.000 0.654 158 V HN 0.598 nan 8.190 nan 0.000 0.451 159 G N -0.209 108.582 108.800 -0.014 0.000 2.446 159 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.217 159 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.217 159 G C 1.632 176.525 174.900 -0.011 0.000 1.168 159 G CA 1.224 46.317 45.100 -0.012 0.000 0.771 159 G HN 0.495 nan 8.290 nan 0.000 0.551 160 K N -0.043 120.351 120.400 -0.010 0.000 1.991 160 K HA -0.028 4.292 4.320 -0.000 0.000 0.212 160 K C 2.580 179.174 176.600 -0.010 0.000 1.049 160 K CA 1.203 57.484 56.287 -0.009 0.000 0.932 160 K CB -0.397 32.098 32.500 -0.008 0.000 0.717 160 K HN 0.313 nan 8.250 nan 0.000 0.441 161 L N 1.010 122.225 121.223 -0.013 0.000 1.978 161 L HA -0.286 4.054 4.340 -0.000 0.000 0.218 161 L C 2.506 179.366 176.870 -0.016 0.000 1.075 161 L CA 1.716 56.547 54.840 -0.015 0.000 0.767 161 L CB -0.383 41.665 42.059 -0.018 0.000 0.890 161 L HN 0.333 nan 8.230 nan 0.000 0.434 162 I N -0.876 119.683 120.570 -0.019 0.000 2.226 162 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 162 I C 2.748 178.857 176.117 -0.013 0.000 1.100 162 I CA 1.176 62.464 61.300 -0.020 0.000 1.374 162 I CB -0.545 37.441 38.000 -0.023 0.000 1.057 162 I HN 0.276 nan 8.210 nan 0.000 0.413 163 A N 0.794 123.608 122.820 -0.010 0.000 1.883 163 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 163 A C 2.204 179.784 177.584 -0.006 0.000 1.186 163 A CA 1.904 53.937 52.037 -0.007 0.000 0.624 163 A CB -0.668 18.329 19.000 -0.005 0.000 0.822 163 A HN 0.486 nan 8.150 nan 0.000 0.444 164 E N -0.211 119.984 120.200 -0.007 0.000 2.077 164 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 164 E C 2.292 178.888 176.600 -0.007 0.000 0.989 164 E CA 0.955 57.352 56.400 -0.006 0.000 0.800 164 E CB -0.322 29.374 29.700 -0.007 0.000 0.746 164 E HN 0.623 nan 8.360 nan 0.000 0.452 165 A N 1.261 124.076 122.820 -0.009 0.000 1.930 165 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 165 A C 2.168 179.748 177.584 -0.006 0.000 1.175 165 A CA 1.217 53.249 52.037 -0.009 0.000 0.627 165 A CB -0.392 18.600 19.000 -0.013 0.000 0.815 165 A HN 0.129 nan 8.150 nan 0.000 0.443 166 M N -0.973 118.624 119.600 -0.005 0.000 2.296 166 M HA -0.125 4.355 4.480 -0.000 0.000 0.265 166 M C 1.779 178.078 176.300 -0.001 0.000 1.064 166 M CA 1.722 57.021 55.300 -0.002 0.000 1.109 166 M CB -0.415 32.185 32.600 -0.001 0.000 1.396 166 M HN 0.492 nan 8.290 nan 0.000 0.430 167 D N 0.612 121.011 120.400 -0.002 0.000 2.144 167 D HA -0.137 4.503 4.640 -0.000 0.000 0.200 167 D C 2.022 178.321 176.300 -0.001 0.000 0.978 167 D CA 1.166 55.165 54.000 -0.001 0.000 0.833 167 D CB 0.239 41.038 40.800 -0.002 0.000 0.961 167 D HN -0.018 nan 8.370 nan 0.000 0.470 168 K N -0.073 120.326 120.400 -0.002 0.000 2.001 168 K HA -0.052 4.268 4.320 -0.000 0.000 0.208 168 K C 2.070 178.670 176.600 -0.000 0.000 1.048 168 K CA 1.401 57.687 56.287 -0.002 0.000 0.932 168 K CB -0.425 32.073 32.500 -0.003 0.000 0.715 168 K HN 0.310 nan 8.250 nan 0.000 0.437 169 V N -3.128 116.786 119.914 0.000 0.000 3.660 169 V HA 0.348 4.468 4.120 -0.000 0.000 0.276 169 V C 0.743 176.839 176.094 0.004 0.000 1.317 169 V CA 0.349 62.650 62.300 0.002 0.000 1.097 169 V CB -0.355 31.470 31.823 0.003 0.000 0.863 169 V HN 0.371 nan 8.190 nan 0.000 0.438 170 G N 1.051 109.853 108.800 0.003 0.000 2.707 170 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.686 170 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.686 170 G C 0.133 175.036 174.900 0.006 0.000 1.315 170 G CA -0.059 45.044 45.100 0.004 0.000 0.832 170 G HN 0.160 nan 8.290 nan 0.000 0.573 171 K N 0.231 120.635 120.400 0.007 0.000 2.063 171 K HA -0.076 4.244 4.320 -0.000 0.000 0.208 171 K C 1.964 178.571 176.600 0.012 0.000 1.048 171 K CA 1.950 58.242 56.287 0.009 0.000 0.928 171 K CB -0.138 32.367 32.500 0.010 0.000 0.713 171 K HN 0.643 nan 8.250 nan 0.000 0.442 172 E N 0.532 120.738 120.200 0.012 0.000 2.489 172 E HA 0.051 4.401 4.350 -0.000 0.000 0.193 172 E C 0.987 177.595 176.600 0.014 0.000 1.057 172 E CA -0.007 56.401 56.400 0.014 0.000 0.866 172 E CB -0.159 29.549 29.700 0.013 0.000 0.916 172 E HN 0.222 nan 8.360 nan 0.000 0.500 173 G N 0.916 109.723 108.800 0.011 0.000 2.636 173 G HA2 0.218 4.178 3.960 -0.000 0.000 0.246 173 G HA3 0.218 4.178 3.960 -0.000 0.000 0.246 173 G C 0.021 174.929 174.900 0.013 0.000 1.216 173 G CA -0.462 44.645 45.100 0.011 0.000 0.854 173 G HN -0.009 nan 8.290 nan 0.000 0.572 174 V N 1.671 121.592 119.914 0.012 0.000 2.364 174 V HA 0.320 4.440 4.120 -0.000 0.000 0.272 174 V C 0.275 176.373 176.094 0.007 0.000 1.036 174 V CA -0.161 62.146 62.300 0.013 0.000 0.880 174 V CB 0.700 32.532 31.823 0.015 0.000 0.991 174 V HN 0.451 nan 8.190 nan 0.000 0.460 175 I N 4.241 124.813 120.570 0.004 0.000 2.433 175 I HA 0.515 4.685 4.170 -0.000 0.000 0.292 175 I C 0.209 176.319 176.117 -0.011 0.000 1.001 175 I CA -0.110 61.186 61.300 -0.006 0.000 1.119 175 I CB 2.165 40.157 38.000 -0.013 0.000 1.289 175 I HN 0.502 nan 8.210 nan 0.000 0.438 176 T N 4.842 119.388 114.554 -0.014 0.000 2.932 176 T HA 0.652 5.002 4.350 -0.000 0.000 0.289 176 T C -0.620 174.065 174.700 -0.025 0.000 1.039 176 T CA -0.527 61.563 62.100 -0.016 0.000 1.024 176 T CB 2.508 71.371 68.868 -0.009 0.000 1.090 176 T HN 0.214 nan 8.240 nan 0.000 0.496 177 V N 2.159 122.056 119.914 -0.027 0.000 2.638 177 V HA 0.554 4.674 4.120 -0.000 0.000 0.306 177 V C -0.534 175.548 176.094 -0.020 0.000 1.052 177 V CA -0.769 61.513 62.300 -0.030 0.000 0.885 177 V CB 1.884 33.679 31.823 -0.047 0.000 0.999 177 V HN 0.900 nan 8.190 nan 0.000 0.424 178 E N 1.690 121.880 120.200 -0.017 0.000 2.433 178 E HA 0.424 4.774 4.350 -0.000 0.000 0.273 178 E C -1.545 175.048 176.600 -0.013 0.000 0.950 178 E CA -1.093 55.299 56.400 -0.013 0.000 0.796 178 E CB 1.825 31.518 29.700 -0.012 0.000 1.330 178 E HN 0.594 nan 8.360 nan 0.000 0.455 179 D N 0.854 121.248 120.400 -0.010 0.000 2.423 179 D HA 0.146 4.786 4.640 -0.000 0.000 0.238 179 D C 0.092 176.386 176.300 -0.010 0.000 1.142 179 D CA 0.394 54.388 54.000 -0.009 0.000 0.884 179 D CB 0.979 41.774 40.800 -0.007 0.000 1.199 179 D HN 0.479 nan 8.370 nan 0.000 0.438 180 G N -0.419 108.376 108.800 -0.010 0.000 2.507 180 G HA2 0.257 4.217 3.960 -0.000 0.000 0.271 180 G HA3 0.257 4.217 3.960 -0.000 0.000 0.271 180 G C 1.097 175.992 174.900 -0.008 0.000 1.189 180 G CA -0.319 44.775 45.100 -0.009 0.000 0.859 180 G HN 0.445 nan 8.290 nan 0.000 0.542 181 T N -2.055 112.494 114.554 -0.008 0.000 3.067 181 T HA 0.428 4.778 4.350 -0.000 0.000 0.261 181 T C 1.159 175.855 174.700 -0.007 0.000 1.110 181 T CA 0.975 63.071 62.100 -0.007 0.000 1.113 181 T CB 0.075 68.939 68.868 -0.007 0.000 0.917 181 T HN 1.341 nan 8.240 nan 0.000 0.499 182 G N 0.496 109.292 108.800 -0.007 0.000 2.450 182 G HA2 0.420 4.380 3.960 -0.000 0.000 0.273 182 G HA3 0.420 4.380 3.960 -0.000 0.000 0.273 182 G C -1.818 173.079 174.900 -0.006 0.000 1.221 182 G CA -0.617 44.479 45.100 -0.006 0.000 0.900 182 G HN 0.300 nan 8.290 nan 0.000 0.483 183 L N 0.826 122.045 121.223 -0.006 0.000 2.397 183 L HA 0.612 4.952 4.340 -0.000 0.000 0.271 183 L C -0.259 176.607 176.870 -0.006 0.000 1.148 183 L CA 0.624 55.460 54.840 -0.006 0.000 0.825 183 L CB 0.290 42.346 42.059 -0.005 0.000 1.117 183 L HN 0.900 nan 8.230 nan 0.000 0.456 184 Q N 3.001 122.797 119.800 -0.007 0.000 2.710 184 Q HA -0.085 4.255 4.340 -0.000 0.000 0.178 184 Q C -1.202 174.794 176.000 -0.008 0.000 1.358 184 Q CA 0.047 55.846 55.803 -0.007 0.000 0.379 184 Q CB -0.105 28.629 28.738 -0.006 0.000 0.558 184 Q HN 0.721 nan 8.270 nan 0.000 0.321 185 D N 2.536 122.930 120.400 -0.009 0.000 2.369 185 D HA 0.229 4.869 4.640 -0.000 0.000 0.241 185 D C 0.060 176.355 176.300 -0.009 0.000 1.271 185 D CA 0.389 54.383 54.000 -0.010 0.000 0.942 185 D CB 0.654 41.447 40.800 -0.011 0.000 1.129 185 D HN 0.358 nan 8.370 nan 0.000 0.476 186 E N -0.570 119.624 120.200 -0.010 0.000 2.343 186 E HA 0.487 4.837 4.350 -0.000 0.000 0.278 186 E C -1.346 175.248 176.600 -0.010 0.000 0.910 186 E CA -0.754 55.640 56.400 -0.009 0.000 0.757 186 E CB 2.451 32.145 29.700 -0.009 0.000 1.218 186 E HN 0.089 nan 8.360 nan 0.000 0.435 187 L N 3.026 124.243 121.223 -0.009 0.000 2.431 187 L HA 0.610 4.950 4.340 -0.000 0.000 0.266 187 L C -2.142 174.724 176.870 -0.008 0.000 0.978 187 L CA -0.252 54.583 54.840 -0.009 0.000 0.822 187 L CB 1.806 43.859 42.059 -0.009 0.000 1.310 187 L HN 0.590 nan 8.230 nan 0.000 0.409 188 D N 3.576 123.971 120.400 -0.007 0.000 2.747 188 D HA 0.222 4.862 4.640 -0.000 0.000 0.218 188 D C -1.302 174.995 176.300 -0.005 0.000 1.230 188 D CA -0.402 53.594 54.000 -0.006 0.000 0.774 188 D CB 1.382 42.179 40.800 -0.006 0.000 1.667 188 D HN 0.307 nan 8.370 nan 0.000 0.499 189 V N 0.949 120.861 119.914 -0.004 0.000 2.432 189 V HA 0.476 4.596 4.120 -0.000 0.000 0.271 189 V C 1.008 177.101 176.094 -0.002 0.000 1.046 189 V CA -0.520 61.779 62.300 -0.002 0.000 0.945 189 V CB 0.810 32.632 31.823 -0.001 0.000 0.992 189 V HN 0.587 nan 8.190 nan 0.000 0.471 190 V N 1.967 121.881 119.914 -0.001 0.000 3.204 190 V HA 0.701 4.820 4.120 -0.000 0.000 0.316 190 V C -0.118 175.977 176.094 0.002 0.000 1.160 190 V CA -1.068 61.232 62.300 -0.001 0.000 1.044 190 V CB 1.957 33.778 31.823 -0.003 0.000 1.136 190 V HN 0.651 nan 8.190 nan 0.000 0.455 191 E N 1.137 121.338 120.200 0.002 0.000 2.376 191 E HA 0.600 4.950 4.350 -0.000 0.000 0.266 191 E C 0.203 176.809 176.600 0.010 0.000 1.009 191 E CA 0.975 57.378 56.400 0.005 0.000 0.902 191 E CB 0.786 30.489 29.700 0.004 0.000 0.972 191 E HN 1.244 nan 8.360 nan 0.000 0.439 192 G N 1.216 110.026 108.800 0.016 0.000 2.466 192 G HA2 0.498 4.458 3.960 -0.000 0.000 0.291 192 G HA3 0.498 4.458 3.960 -0.000 0.000 0.291 192 G C -1.287 173.636 174.900 0.038 0.000 1.460 192 G CA -0.671 44.445 45.100 0.026 0.000 0.791 192 G HN 0.400 nan 8.290 nan 0.000 0.505 193 M N -0.306 119.330 119.600 0.060 0.000 2.773 193 M HA 0.689 5.169 4.480 -0.000 0.000 0.270 193 M C -2.221 174.147 176.300 0.115 0.000 1.238 193 M CA -0.735 54.617 55.300 0.086 0.000 0.832 193 M CB 2.529 35.190 32.600 0.102 0.000 1.672 193 M HN 0.726 nan 8.290 nan 0.000 0.480 194 Q N 2.841 122.722 119.800 0.135 0.000 2.263 194 Q HA 0.509 4.849 4.340 -0.000 0.000 0.262 194 Q C -2.252 173.849 176.000 0.169 0.000 0.984 194 Q CA -0.618 55.241 55.803 0.093 0.000 0.813 194 Q CB 1.680 30.426 28.738 0.013 0.000 1.299 194 Q HN 0.577 nan 8.270 nan 0.000 0.428 195 F N 0.211 120.162 119.950 0.001 0.000 2.556 195 F HA 0.571 5.097 4.527 -0.000 0.000 0.327 195 F C -0.277 175.522 175.800 -0.001 0.000 1.059 195 F CA -1.299 56.702 58.000 0.002 0.000 0.953 195 F CB 0.899 39.901 39.000 0.003 0.000 1.227 195 F HN 0.279 nan 8.300 nan 0.000 0.478 196 D N 3.405 123.885 120.400 0.134 0.000 2.508 196 D HA 0.208 4.848 4.640 -0.000 0.000 0.224 196 D C -0.209 176.116 176.300 0.041 0.000 1.171 196 D CA 0.242 54.260 54.000 0.030 0.000 1.006 196 D CB 0.023 40.856 40.800 0.055 0.000 1.073 196 D HN 0.315 nan 8.370 nan 0.000 0.513 197 R N 0.552 121.001 120.500 -0.085 0.000 2.536 197 R HA 0.486 4.826 4.340 -0.000 0.000 0.269 197 R C 0.067 176.259 176.300 -0.181 0.000 1.113 197 R CA -0.694 55.380 56.100 -0.043 0.000 0.948 197 R CB 2.044 32.440 30.300 0.159 0.000 1.237 197 R HN 0.325 nan 8.270 nan 0.000 0.441 198 G N 0.854 109.547 108.800 -0.179 0.000 2.753 198 G HA2 0.478 4.438 3.960 -0.000 0.000 0.285 198 G HA3 0.478 4.438 3.960 -0.000 0.000 0.285 198 G C -0.712 174.072 174.900 -0.192 0.000 1.344 198 G CA -0.577 44.336 45.100 -0.312 0.000 1.050 198 G HN 0.434 nan 8.290 nan 0.000 0.532 199 Y N -0.941 119.389 120.300 0.049 0.000 2.597 199 Y HA 0.287 4.838 4.550 0.001 0.000 0.336 199 Y C 1.140 177.148 175.900 0.179 0.000 1.216 199 Y CA -1.013 57.171 58.100 0.140 0.000 1.463 199 Y CB 0.349 38.941 38.460 0.219 0.000 1.303 199 Y HN 0.165 nan 8.280 nan 0.000 0.576 200 L N 2.468 123.964 121.223 0.456 0.000 2.675 200 L HA 0.103 4.443 4.340 -0.000 0.000 0.239 200 L C 0.485 177.584 176.870 0.383 0.000 1.151 200 L CA 0.794 55.850 54.840 0.360 0.000 0.905 200 L CB -0.503 41.743 42.059 0.311 0.000 1.057 200 L HN 0.857 nan 8.230 nan 0.000 0.435 201 S N -2.024 113.962 115.700 0.477 0.000 2.714 201 S HA 0.258 4.728 4.470 -0.000 0.000 0.297 201 S C -2.715 171.855 174.600 -0.049 0.000 0.993 201 S CA -0.972 57.342 58.200 0.191 0.000 0.844 201 S CB 1.125 64.315 63.200 -0.017 0.000 1.043 201 S HN -0.222 nan 8.310 nan 0.000 0.457 202 P HA 0.410 nan 4.420 nan 0.000 0.310 202 P C 0.128 177.154 177.300 -0.457 0.000 1.309 202 P CA 0.556 63.239 63.100 -0.694 0.000 0.753 202 P CB -0.003 31.291 31.700 -0.676 0.000 1.491 203 Y N -4.988 115.106 120.300 -0.343 0.000 2.884 203 Y HA -0.281 4.269 4.550 0.000 0.000 0.483 203 Y C 1.749 177.535 175.900 -0.190 0.000 1.209 203 Y CA 1.368 59.301 58.100 -0.278 0.000 2.681 203 Y CB -2.953 35.287 38.460 -0.367 0.000 0.894 203 Y HN 0.124 nan 8.280 nan 0.000 0.529 204 F N 0.794 120.742 119.950 -0.003 0.000 2.641 204 F HA 0.045 4.571 4.527 -0.000 0.000 0.298 204 F C 1.346 177.114 175.800 -0.054 0.000 1.146 204 F CA 0.287 58.284 58.000 -0.006 0.000 1.464 204 F CB -0.465 38.546 39.000 0.018 0.000 1.101 204 F HN -0.023 nan 8.300 nan 0.000 0.585 205 I N 2.046 122.619 120.570 0.004 0.000 2.587 205 I HA -0.081 4.089 4.170 -0.000 0.000 0.284 205 I C 0.626 176.747 176.117 0.007 0.000 1.134 205 I CA 0.215 61.488 61.300 -0.044 0.000 1.410 205 I CB 0.357 38.251 38.000 -0.178 0.000 1.392 205 I HN 0.132 nan 8.210 nan 0.000 0.545 206 N N 4.685 123.403 118.700 0.030 0.000 2.171 206 N HA 0.059 4.799 4.740 -0.000 0.000 0.212 206 N C -0.092 175.430 175.510 0.020 0.000 1.184 206 N CA -0.147 52.921 53.050 0.031 0.000 0.888 206 N CB 0.502 39.016 38.487 0.044 0.000 1.038 206 N HN 0.286 nan 8.380 nan 0.000 0.517 207 K N 1.499 121.908 120.400 0.016 0.000 2.762 207 K HA 0.280 4.600 4.320 -0.000 0.000 0.180 207 K C -2.047 174.557 176.600 0.006 0.000 1.067 207 K CA -1.582 54.714 56.287 0.015 0.000 0.973 207 K CB 2.046 34.561 32.500 0.025 0.000 1.290 207 K HN 0.030 nan 8.250 nan 0.000 0.604 208 P HA -0.205 nan 4.420 nan 0.000 0.218 208 P C 0.371 177.666 177.300 -0.009 0.000 1.146 208 P CA 1.407 64.495 63.100 -0.020 0.000 0.813 208 P CB 0.557 32.244 31.700 -0.022 0.000 0.778 209 E N -0.058 120.143 120.200 0.002 0.000 2.047 209 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 209 E C 1.995 178.604 176.600 0.015 0.000 0.987 209 E CA 1.675 58.079 56.400 0.007 0.000 0.799 209 E CB -1.582 28.125 29.700 0.011 0.000 0.752 209 E HN 0.261 nan 8.360 nan 0.000 0.449 210 T N -0.845 113.724 114.554 0.024 0.000 3.067 210 T HA 0.180 4.530 4.350 -0.000 0.000 0.261 210 T C 1.405 176.128 174.700 0.038 0.000 1.110 210 T CA 0.547 62.671 62.100 0.039 0.000 1.113 210 T CB -0.058 68.840 68.868 0.050 0.000 0.917 210 T HN 0.418 nan 8.240 nan 0.000 0.499 211 G N 1.548 110.364 108.800 0.026 0.000 2.198 211 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.260 211 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.260 211 G C 0.086 175.045 174.900 0.097 0.000 1.025 211 G CA 0.114 45.233 45.100 0.031 0.000 0.769 211 G HN 0.956 nan 8.290 nan 0.000 0.507 212 A N -1.520 121.350 122.820 0.084 0.000 2.435 212 A HA 0.933 5.253 4.320 -0.000 0.000 0.296 212 A C -0.125 177.516 177.584 0.096 0.000 1.147 212 A CA -0.227 51.890 52.037 0.132 0.000 0.775 212 A CB 1.940 20.999 19.000 0.098 0.000 1.340 212 A HN 1.159 nan 8.150 nan 0.000 0.427 213 V N 0.668 120.658 119.914 0.127 0.000 2.539 213 V HA 0.568 4.688 4.120 -0.000 0.000 0.292 213 V C 0.015 176.144 176.094 0.059 0.000 1.045 213 V CA -0.320 62.037 62.300 0.094 0.000 0.945 213 V CB 1.429 33.326 31.823 0.123 0.000 0.993 213 V HN 0.911 nan 8.190 nan 0.000 0.464 214 E N 3.880 124.105 120.200 0.042 0.000 2.302 214 E HA 0.525 4.875 4.350 -0.000 0.000 0.263 214 E C -1.826 174.784 176.600 0.017 0.000 0.897 214 E CA -0.488 55.927 56.400 0.025 0.000 0.809 214 E CB 1.338 31.051 29.700 0.022 0.000 1.270 214 E HN 0.625 nan 8.360 nan 0.000 0.410 215 L N 3.332 124.559 121.223 0.007 0.000 2.329 215 L HA 0.547 4.887 4.340 -0.000 0.000 0.279 215 L C -0.173 176.689 176.870 -0.014 0.000 1.014 215 L CA -0.884 53.956 54.840 -0.001 0.000 0.814 215 L CB 1.865 43.921 42.059 -0.004 0.000 1.257 215 L HN 0.461 nan 8.230 nan 0.000 0.424 216 E N 1.276 121.464 120.200 -0.020 0.000 2.171 216 E HA 0.298 4.648 4.350 -0.000 0.000 0.271 216 E C -0.327 176.236 176.600 -0.062 0.000 0.916 216 E CA -0.624 55.755 56.400 -0.034 0.000 0.774 216 E CB 1.734 31.419 29.700 -0.025 0.000 1.128 216 E HN 0.608 nan 8.360 nan 0.000 0.403 217 S N 1.767 117.416 115.700 -0.084 0.000 3.559 217 S HA -0.121 4.349 4.470 -0.000 0.000 0.369 217 S C -2.127 172.339 174.600 -0.223 0.000 0.987 217 S CA 0.386 58.498 58.200 -0.146 0.000 1.187 217 S CB -1.270 61.848 63.200 -0.136 0.000 0.914 217 S HN 0.486 nan 8.310 nan 0.000 0.480 218 P HA 0.535 nan 4.420 nan 0.000 0.281 218 P C -0.138 177.029 177.300 -0.221 0.000 1.264 218 P CA -0.651 62.359 63.100 -0.150 0.000 0.824 218 P CB 0.572 32.248 31.700 -0.041 0.000 1.092 219 F N 0.087 120.038 119.950 0.001 0.000 2.377 219 F HA 0.442 4.969 4.527 -0.001 0.000 0.328 219 F C 0.840 176.641 175.800 0.002 0.000 1.094 219 F CA -0.346 57.655 58.000 0.002 0.000 1.093 219 F CB 0.800 39.800 39.000 0.000 0.000 1.214 219 F HN 0.033 nan 8.300 nan 0.000 0.518 220 I N 4.081 124.776 120.570 0.209 0.000 2.410 220 I HA 0.225 4.395 4.170 -0.000 0.000 0.286 220 I C -1.248 174.924 176.117 0.092 0.000 1.009 220 I CA -0.903 60.467 61.300 0.117 0.000 1.111 220 I CB 1.692 39.742 38.000 0.083 0.000 1.262 220 I HN 0.248 nan 8.210 nan 0.000 0.443 221 L N 8.423 129.685 121.223 0.065 0.000 2.265 221 L HA 0.458 4.798 4.340 -0.000 0.000 0.288 221 L C -0.886 175.999 176.870 0.025 0.000 1.058 221 L CA 0.081 54.943 54.840 0.036 0.000 0.809 221 L CB 0.619 42.692 42.059 0.022 0.000 1.179 221 L HN 0.445 nan 8.230 nan 0.000 0.429 222 L N 6.505 127.736 121.223 0.013 0.000 2.277 222 L HA 0.710 5.050 4.340 -0.000 0.000 0.284 222 L C -0.100 176.767 176.870 -0.005 0.000 1.028 222 L CA -0.446 54.393 54.840 -0.002 0.000 0.835 222 L CB 1.148 43.199 42.059 -0.013 0.000 1.215 222 L HN 0.790 nan 8.230 nan 0.000 0.425 223 A N 1.815 124.633 122.820 -0.003 0.000 2.311 223 A HA 0.386 4.706 4.320 -0.000 0.000 0.306 223 A C -0.597 176.986 177.584 -0.002 0.000 1.189 223 A CA -0.549 51.487 52.037 -0.001 0.000 0.791 223 A CB 0.936 19.940 19.000 0.006 0.000 1.172 223 A HN 0.688 nan 8.150 nan 0.000 0.481 224 D N 2.626 123.023 120.400 -0.006 0.000 2.558 224 D HA 0.444 5.084 4.640 -0.000 0.000 0.221 224 D C -0.127 176.175 176.300 0.003 0.000 1.143 224 D CA 0.253 54.250 54.000 -0.006 0.000 1.010 224 D CB -0.527 40.265 40.800 -0.013 0.000 1.068 224 D HN 0.616 nan 8.370 nan 0.000 0.511 225 K N -0.128 120.278 120.400 0.011 0.000 3.076 225 K HA 0.185 4.505 4.320 -0.000 0.000 0.314 225 K C -1.503 175.111 176.600 0.023 0.000 1.113 225 K CA -0.988 55.309 56.287 0.017 0.000 0.860 225 K CB 0.132 32.639 32.500 0.013 0.000 1.435 225 K HN -0.083 nan 8.250 nan 0.000 0.374 226 K N 1.375 121.791 120.400 0.027 0.000 2.298 226 K HA 0.393 4.713 4.320 -0.000 0.000 0.280 226 K C -0.383 176.235 176.600 0.030 0.000 1.032 226 K CA -0.344 55.962 56.287 0.032 0.000 0.958 226 K CB 0.519 33.039 32.500 0.033 0.000 0.978 226 K HN 0.433 nan 8.250 nan 0.000 0.472 227 I N 2.190 122.781 120.570 0.035 0.000 2.354 227 I HA 0.069 4.239 4.170 -0.000 0.000 0.286 227 I C 0.406 176.546 176.117 0.038 0.000 1.007 227 I CA -0.073 61.248 61.300 0.034 0.000 1.167 227 I CB 1.707 39.729 38.000 0.036 0.000 1.320 227 I HN 0.642 nan 8.210 nan 0.000 0.458 228 S N 3.787 119.506 115.700 0.031 0.000 2.520 228 S HA 0.241 4.711 4.470 -0.000 0.000 0.219 228 S C 0.347 174.963 174.600 0.026 0.000 1.028 228 S CA -0.168 58.050 58.200 0.030 0.000 0.921 228 S CB 0.199 63.413 63.200 0.025 0.000 0.844 228 S HN 0.604 nan 8.310 nan 0.000 0.495 229 N N 1.111 119.824 118.700 0.023 0.000 2.346 229 N HA 0.359 5.099 4.740 -0.000 0.000 0.289 229 N C -0.605 174.917 175.510 0.020 0.000 1.027 229 N CA -0.301 52.761 53.050 0.019 0.000 0.864 229 N CB 2.019 40.514 38.487 0.014 0.000 1.370 229 N HN 0.056 nan 8.380 nan 0.000 0.481 230 I N 1.728 122.310 120.570 0.021 0.000 3.620 230 I HA -0.020 4.150 4.170 -0.000 0.000 0.305 230 I C 2.062 178.187 176.117 0.014 0.000 1.243 230 I CA 0.372 61.684 61.300 0.021 0.000 1.196 230 I CB -0.052 37.963 38.000 0.025 0.000 1.004 230 I HN 0.408 nan 8.210 nan 0.000 0.487 231 R N 0.657 121.164 120.500 0.011 0.000 2.075 231 R HA -0.122 4.218 4.340 -0.000 0.000 0.226 231 R C 1.752 178.055 176.300 0.004 0.000 1.114 231 R CA 1.377 57.481 56.100 0.006 0.000 0.972 231 R CB 0.040 30.343 30.300 0.005 0.000 0.869 231 R HN 0.471 nan 8.270 nan 0.000 0.437 232 E N -0.069 120.135 120.200 0.006 0.000 2.208 232 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 232 E C 1.959 178.560 176.600 0.000 0.000 0.988 232 E CA 0.844 57.246 56.400 0.003 0.000 0.828 232 E CB 0.066 29.769 29.700 0.005 0.000 0.763 232 E HN 0.288 nan 8.360 nan 0.000 0.478 233 M N 0.480 120.083 119.600 0.005 0.000 2.132 233 M HA -0.089 4.391 4.480 -0.000 0.000 0.263 233 M C 2.330 178.628 176.300 -0.003 0.000 1.065 233 M CA 1.132 56.434 55.300 0.003 0.000 1.122 233 M CB -0.886 31.722 32.600 0.013 0.000 1.365 233 M HN 0.171 nan 8.290 nan 0.000 0.411 234 L N 0.510 121.733 121.223 -0.001 0.000 2.026 234 L HA -0.291 4.049 4.340 -0.000 0.000 0.231 234 L C -0.175 176.687 176.870 -0.013 0.000 1.095 234 L CA 2.270 57.107 54.840 -0.005 0.000 0.810 234 L CB -2.837 39.220 42.059 -0.003 0.000 0.909 234 L HN 0.195 nan 8.230 nan 0.000 0.444 235 P HA -0.161 nan 4.420 nan 0.000 0.216 235 P C 1.727 179.004 177.300 -0.039 0.000 1.153 235 P CA 1.820 64.905 63.100 -0.025 0.000 0.858 235 P CB -0.023 31.664 31.700 -0.023 0.000 0.789 236 V N -0.580 119.310 119.914 -0.040 0.000 2.951 236 V HA -0.067 4.053 4.120 -0.000 0.000 0.255 236 V C 2.723 178.782 176.094 -0.059 0.000 1.088 236 V CA 0.895 63.159 62.300 -0.060 0.000 1.109 236 V CB -0.870 30.923 31.823 -0.051 0.000 0.724 236 V HN 0.014 nan 8.190 nan 0.000 0.471 237 L N -0.306 120.899 121.223 -0.031 0.000 2.179 237 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 237 L C 2.496 179.354 176.870 -0.020 0.000 1.096 237 L CA 1.308 56.138 54.840 -0.017 0.000 0.779 237 L CB -0.281 41.779 42.059 0.001 0.000 0.922 237 L HN 0.386 nan 8.230 nan 0.000 0.443 238 E N 0.123 120.308 120.200 -0.025 0.000 2.158 238 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 238 E C 2.248 178.824 176.600 -0.038 0.000 0.982 238 E CA 0.900 57.286 56.400 -0.023 0.000 0.823 238 E CB -0.055 29.633 29.700 -0.019 0.000 0.766 238 E HN 0.442 nan 8.360 nan 0.000 0.468 239 A N 1.012 123.792 122.820 -0.067 0.000 2.015 239 A HA -0.095 4.224 4.320 -0.000 0.000 0.219 239 A C 2.349 179.854 177.584 -0.133 0.000 1.163 239 A CA 0.886 52.861 52.037 -0.104 0.000 0.646 239 A CB -0.228 18.687 19.000 -0.143 0.000 0.806 239 A HN 0.104 nan 8.150 nan 0.000 0.448 240 V N -0.756 119.091 119.914 -0.111 0.000 2.878 240 V HA -0.047 4.073 4.120 -0.000 0.000 0.250 240 V C 2.853 178.960 176.094 0.022 0.000 1.075 240 V CA 1.229 63.490 62.300 -0.065 0.000 1.096 240 V CB -0.598 31.211 31.823 -0.024 0.000 0.724 240 V HN 0.573 nan 8.190 nan 0.000 0.467 241 A N -0.350 122.474 122.820 0.007 0.000 1.930 241 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 241 A C 1.442 179.042 177.584 0.028 0.000 1.175 241 A CA 1.028 53.079 52.037 0.023 0.000 0.627 241 A CB -0.197 18.810 19.000 0.012 0.000 0.815 241 A HN 0.490 nan 8.150 nan 0.000 0.443 242 K N -1.769 118.639 120.400 0.013 0.000 2.202 242 K HA 0.413 4.733 4.320 -0.000 0.000 0.264 242 K C 0.849 177.480 176.600 0.053 0.000 1.010 242 K CA 0.400 56.699 56.287 0.020 0.000 0.940 242 K CB 0.496 32.995 32.500 -0.000 0.000 0.983 242 K HN 0.729 nan 8.250 nan 0.000 0.475 243 A N 1.773 124.633 122.820 0.067 0.000 3.383 243 A HA -0.179 4.141 4.320 -0.000 0.000 0.264 243 A C 1.001 178.654 177.584 0.115 0.000 1.154 243 A CA 1.058 53.162 52.037 0.111 0.000 1.179 243 A CB -2.441 16.678 19.000 0.197 0.000 1.133 243 A HN 1.306 nan 8.150 nan 0.000 0.933 244 G N -0.543 108.310 108.800 0.088 0.000 2.385 244 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.284 244 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.284 244 G C -0.027 174.925 174.900 0.087 0.000 0.899 244 G CA 1.563 46.708 45.100 0.075 0.000 1.204 244 G HN 1.091 nan 8.290 nan 0.000 0.486 245 K N 0.627 121.112 120.400 0.142 0.000 2.328 245 K HA 0.529 4.849 4.320 -0.000 0.000 0.246 245 K C -2.119 174.565 176.600 0.140 0.000 0.955 245 K CA -2.061 54.300 56.287 0.122 0.000 0.817 245 K CB 2.696 35.268 32.500 0.120 0.000 1.208 245 K HN 0.088 nan 8.250 nan 0.000 0.432 246 P HA 0.146 nan 4.420 nan 0.000 0.275 246 P C -1.205 176.163 177.300 0.113 0.000 1.266 246 P CA -0.508 62.636 63.100 0.072 0.000 0.793 246 P CB 0.682 32.400 31.700 0.030 0.000 1.074 247 L N 0.857 122.126 121.223 0.078 0.000 2.436 247 L HA 0.523 4.863 4.340 -0.000 0.000 0.268 247 L C -1.607 175.274 176.870 0.018 0.000 0.974 247 L CA -0.949 53.944 54.840 0.088 0.000 0.826 247 L CB 1.677 43.785 42.059 0.082 0.000 1.291 247 L HN 0.156 nan 8.230 nan 0.000 0.406 248 L N 6.123 127.364 121.223 0.031 0.000 2.280 248 L HA 0.619 4.959 4.340 -0.000 0.000 0.287 248 L C -1.129 175.747 176.870 0.011 0.000 1.023 248 L CA -0.202 54.635 54.840 -0.005 0.000 0.819 248 L CB 1.080 43.152 42.059 0.023 0.000 1.212 248 L HN 0.459 nan 8.230 nan 0.000 0.420 249 I N 7.142 127.698 120.570 -0.024 0.000 2.304 249 I HA 0.264 4.434 4.170 -0.000 0.000 0.291 249 I C -0.058 176.077 176.117 0.030 0.000 1.018 249 I CA -0.108 61.194 61.300 0.003 0.000 1.260 249 I CB 0.920 38.914 38.000 -0.010 0.000 1.390 249 I HN 0.572 nan 8.210 nan 0.000 0.475 250 I N 6.197 126.794 120.570 0.045 0.000 2.442 250 I HA 0.457 4.627 4.170 -0.000 0.000 0.279 250 I C 0.426 176.561 176.117 0.030 0.000 1.081 250 I CA -0.186 61.151 61.300 0.061 0.000 1.197 250 I CB 0.963 38.996 38.000 0.055 0.000 1.394 250 I HN 0.622 nan 8.210 nan 0.000 0.488 251 A N 3.995 126.839 122.820 0.041 0.000 2.347 251 A HA 0.439 4.759 4.320 -0.000 0.000 0.301 251 A C 1.049 178.655 177.584 0.038 0.000 1.163 251 A CA -0.501 51.554 52.037 0.030 0.000 0.860 251 A CB 1.158 20.178 19.000 0.034 0.000 1.367 251 A HN 0.667 nan 8.150 nan 0.000 0.461 252 E N -0.862 119.358 120.200 0.033 0.000 2.160 252 E HA -0.131 4.218 4.350 -0.000 0.000 0.195 252 E C -0.434 176.200 176.600 0.056 0.000 0.991 252 E CA 1.599 58.024 56.400 0.042 0.000 0.810 252 E CB 0.146 29.868 29.700 0.037 0.000 0.742 252 E HN 0.604 nan 8.360 nan 0.000 0.466 253 D N -2.187 118.247 120.400 0.057 0.000 2.912 253 D HA 0.101 4.741 4.640 -0.000 0.000 0.263 253 D C -1.974 174.366 176.300 0.066 0.000 1.152 253 D CA -0.466 53.574 54.000 0.067 0.000 0.728 253 D CB 1.522 42.359 40.800 0.062 0.000 1.337 253 D HN -0.133 nan 8.370 nan 0.000 0.435 254 V N 2.468 122.431 119.914 0.082 0.000 2.443 254 V HA 0.530 4.650 4.120 -0.000 0.000 0.293 254 V C -0.090 176.057 176.094 0.088 0.000 1.021 254 V CA -0.571 61.781 62.300 0.087 0.000 0.848 254 V CB 1.530 33.419 31.823 0.111 0.000 0.998 254 V HN 0.431 nan 8.190 nan 0.000 0.424 255 E N 2.327 122.568 120.200 0.067 0.000 2.264 255 E HA 0.640 4.990 4.350 -0.000 0.000 0.260 255 E C 1.160 177.789 176.600 0.048 0.000 0.961 255 E CA -0.266 56.169 56.400 0.057 0.000 0.834 255 E CB 1.739 31.465 29.700 0.044 0.000 1.230 255 E HN 0.704 nan 8.360 nan 0.000 0.412 256 G N 1.500 110.322 108.800 0.037 0.000 3.562 256 G HA2 -0.476 3.484 3.960 -0.000 0.000 0.296 256 G HA3 -0.476 3.484 3.960 -0.000 0.000 0.296 256 G C 1.220 176.133 174.900 0.021 0.000 0.884 256 G CA 1.339 46.454 45.100 0.024 0.000 0.739 256 G HN 0.703 nan 8.290 nan 0.000 1.278 257 E N 0.733 120.944 120.200 0.017 0.000 2.095 257 E HA -0.308 4.042 4.350 -0.000 0.000 0.212 257 E C 2.978 179.591 176.600 0.022 0.000 1.044 257 E CA 2.529 58.937 56.400 0.014 0.000 0.857 257 E CB -0.759 28.949 29.700 0.013 0.000 0.764 257 E HN 0.593 nan 8.360 nan 0.000 0.462 258 A N 0.815 123.655 122.820 0.034 0.000 1.855 258 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 258 A C 2.273 179.899 177.584 0.071 0.000 1.191 258 A CA 1.541 53.606 52.037 0.047 0.000 0.613 258 A CB -0.827 18.203 19.000 0.050 0.000 0.829 258 A HN 0.334 nan 8.150 nan 0.000 0.442 259 L N 0.008 121.281 121.223 0.083 0.000 2.042 259 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 259 L C 2.636 179.546 176.870 0.067 0.000 1.076 259 L CA 2.403 57.315 54.840 0.120 0.000 0.749 259 L CB -0.884 41.243 42.059 0.113 0.000 0.893 259 L HN 0.362 nan 8.230 nan 0.000 0.432 260 A N -1.788 121.041 122.820 0.016 0.000 1.902 260 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 260 A C 2.241 179.805 177.584 -0.034 0.000 1.181 260 A CA 2.214 54.229 52.037 -0.037 0.000 0.623 260 A CB -1.177 17.801 19.000 -0.037 0.000 0.818 260 A HN 0.529 nan 8.150 nan 0.000 0.443 261 T N 0.452 115.009 114.554 0.004 0.000 2.867 261 T HA -0.034 4.316 4.350 -0.000 0.000 0.268 261 T C 1.748 176.470 174.700 0.038 0.000 1.057 261 T CA 1.362 63.469 62.100 0.011 0.000 1.136 261 T CB -0.309 68.571 68.868 0.021 0.000 0.874 261 T HN 0.382 nan 8.240 nan 0.000 0.466 262 L N 0.530 121.808 121.223 0.091 0.000 2.072 262 L HA -0.004 4.336 4.340 -0.000 0.000 0.205 262 L C 2.632 179.615 176.870 0.188 0.000 1.079 262 L CA 0.683 55.635 54.840 0.186 0.000 0.752 262 L CB -0.702 41.544 42.059 0.311 0.000 0.906 262 L HN 0.103 nan 8.230 nan 0.000 0.436 263 V N -0.425 119.499 119.914 0.017 0.000 2.469 263 V HA -0.234 3.886 4.120 -0.000 0.000 0.251 263 V C 2.305 178.292 176.094 -0.178 0.000 1.064 263 V CA 1.333 63.478 62.300 -0.258 0.000 1.066 263 V CB -0.260 31.301 31.823 -0.437 0.000 0.667 263 V HN 0.196 nan 8.190 nan 0.000 0.461 264 V N 0.033 119.882 119.914 -0.109 0.000 2.283 264 V HA -0.182 3.938 4.120 -0.000 0.000 0.239 264 V C 2.052 178.130 176.094 -0.027 0.000 1.035 264 V CA 2.176 64.422 62.300 -0.091 0.000 1.018 264 V CB -0.883 30.895 31.823 -0.076 0.000 0.658 264 V HN 0.543 nan 8.190 nan 0.000 0.459 265 N N 0.555 119.259 118.700 0.007 0.000 2.091 265 N HA -0.241 4.499 4.740 -0.000 0.000 0.193 265 N C 1.837 177.376 175.510 0.048 0.000 1.021 265 N CA 2.019 55.086 53.050 0.028 0.000 0.862 265 N CB -0.190 38.321 38.487 0.039 0.000 1.018 265 N HN 0.710 nan 8.380 nan 0.000 0.429 266 T N -1.371 113.234 114.554 0.085 0.000 2.985 266 T HA -0.034 4.316 4.350 -0.000 0.000 0.266 266 T C 1.565 176.315 174.700 0.082 0.000 1.076 266 T CA 0.464 62.631 62.100 0.112 0.000 1.135 266 T CB -0.076 68.921 68.868 0.215 0.000 0.890 266 T HN 0.128 nan 8.240 nan 0.000 0.480 267 M N 0.544 120.171 119.600 0.046 0.000 2.633 267 M HA 0.287 4.767 4.480 -0.000 0.000 0.226 267 M C 1.215 177.523 176.300 0.014 0.000 1.137 267 M CA 0.333 55.646 55.300 0.023 0.000 1.020 267 M CB -0.097 32.481 32.600 -0.036 0.000 1.675 267 M HN 0.107 nan 8.290 nan 0.000 0.500 268 R N -1.462 119.050 120.500 0.019 0.000 2.566 268 R HA 0.266 4.606 4.340 -0.000 0.000 0.388 268 R C 0.934 177.246 176.300 0.020 0.000 0.989 268 R CA 0.448 56.556 56.100 0.013 0.000 1.164 268 R CB 0.797 31.099 30.300 0.004 0.000 1.459 268 R HN 0.478 nan 8.270 nan 0.000 0.553 269 G N 1.729 110.547 108.800 0.030 0.000 2.184 269 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.264 269 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.264 269 G C 0.400 175.319 174.900 0.030 0.000 0.975 269 G CA 0.154 45.272 45.100 0.030 0.000 0.642 269 G HN 0.324 nan 8.290 nan 0.000 0.536 270 I N 1.310 121.898 120.570 0.030 0.000 2.330 270 I HA 0.390 4.560 4.170 -0.000 0.000 0.280 270 I C 0.537 176.677 176.117 0.038 0.000 1.069 270 I CA -0.357 60.961 61.300 0.029 0.000 1.873 270 I CB -0.283 37.731 38.000 0.023 0.000 1.476 270 I HN 0.112 nan 8.210 nan 0.000 0.813 271 V N 2.192 122.131 119.914 0.043 0.000 3.264 271 V HA -0.179 3.941 4.120 -0.000 0.000 0.470 271 V C -0.069 176.063 176.094 0.063 0.000 0.682 271 V CA -0.273 62.057 62.300 0.051 0.000 2.011 271 V CB -0.738 31.113 31.823 0.047 0.000 2.470 271 V HN 0.601 nan 8.190 nan 0.000 0.498 272 K N 3.990 124.427 120.400 0.062 0.000 2.349 272 K HA 0.672 4.992 4.320 -0.000 0.000 0.289 272 K C -0.353 176.279 176.600 0.053 0.000 1.064 272 K CA -0.007 56.320 56.287 0.067 0.000 0.947 272 K CB 1.259 33.791 32.500 0.053 0.000 1.007 272 K HN 0.562 nan 8.250 nan 0.000 0.478 273 V N 1.268 121.214 119.914 0.055 0.000 3.007 273 V HA 0.863 4.983 4.120 -0.000 0.000 0.311 273 V C -1.005 174.935 176.094 -0.257 0.000 1.120 273 V CA -1.121 61.158 62.300 -0.035 0.000 0.980 273 V CB 2.165 33.994 31.823 0.010 0.000 1.033 273 V HN 0.744 nan 8.190 nan 0.000 0.429 274 A N 2.207 124.750 122.820 -0.462 0.000 2.459 274 A HA 0.973 5.293 4.320 -0.000 0.000 0.296 274 A C -0.710 176.496 177.584 -0.630 0.000 1.039 274 A CA -0.072 51.401 52.037 -0.939 0.000 0.698 274 A CB 1.772 20.515 19.000 -0.428 0.000 1.261 274 A HN 1.639 nan 8.150 nan 0.000 0.405 275 A N 1.109 123.493 122.820 -0.726 0.000 2.374 275 A HA 0.917 5.237 4.320 -0.000 0.000 0.317 275 A C -0.275 177.297 177.584 -0.020 0.000 1.094 275 A CA -0.102 51.815 52.037 -0.201 0.000 0.765 275 A CB 1.352 20.320 19.000 -0.053 0.000 1.268 275 A HN 2.341 nan 8.150 nan 0.000 0.438 276 V N -0.982 118.966 119.914 0.056 0.000 3.087 276 V HA 0.610 4.730 4.120 -0.000 0.000 0.306 276 V C -0.651 175.532 176.094 0.148 0.000 1.187 276 V CA -1.243 61.127 62.300 0.115 0.000 0.999 276 V CB 1.479 33.370 31.823 0.114 0.000 1.049 276 V HN 0.881 nan 8.190 nan 0.000 0.431 277 K N 1.872 122.364 120.400 0.153 0.000 2.258 277 K HA 0.691 5.011 4.320 -0.000 0.000 0.264 277 K C 0.436 177.138 176.600 0.170 0.000 1.007 277 K CA 0.265 56.634 56.287 0.137 0.000 0.941 277 K CB 1.308 33.879 32.500 0.118 0.000 0.966 277 K HN 1.143 nan 8.250 nan 0.000 0.480 278 A N 3.670 126.536 122.820 0.076 0.000 2.445 278 A HA 0.221 4.541 4.320 -0.000 0.000 0.242 278 A C -2.050 175.536 177.584 0.002 0.000 1.075 278 A CA -1.130 50.888 52.037 -0.032 0.000 0.777 278 A CB -0.356 18.607 19.000 -0.061 0.000 1.013 278 A HN 0.475 nan 8.150 nan 0.000 0.493 279 P HA 0.356 nan 4.420 nan 0.000 0.271 279 P C 0.693 178.012 177.300 0.031 0.000 1.218 279 P CA 1.426 64.541 63.100 0.026 0.000 0.780 279 P CB 0.562 32.208 31.700 -0.091 0.000 0.901 280 G N 2.054 110.920 108.800 0.110 0.000 2.697 280 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.240 280 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.240 280 G C -0.755 174.276 174.900 0.220 0.000 1.346 280 G CA 0.102 45.291 45.100 0.149 0.000 0.887 280 G HN 0.760 nan 8.290 nan 0.000 0.569 281 F N -2.111 117.853 119.950 0.024 0.000 2.664 281 F HA 0.827 5.354 4.527 -0.000 0.000 0.317 281 F C 1.004 176.816 175.800 0.021 0.000 1.108 281 F CA 0.239 58.252 58.000 0.022 0.000 0.957 281 F CB 1.021 40.038 39.000 0.029 0.000 1.365 281 F HN 2.474 nan 8.300 nan 0.000 0.475 282 G N 1.460 110.231 108.800 -0.050 0.000 2.566 282 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.280 282 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.280 282 G C 0.309 175.110 174.900 -0.164 0.000 1.225 282 G CA 0.636 45.640 45.100 -0.160 0.000 0.966 282 G HN 0.864 nan 8.290 nan 0.000 0.560 283 D N 1.036 121.327 120.400 -0.181 0.000 2.078 283 D HA -0.110 4.530 4.640 -0.000 0.000 0.193 283 D C 2.503 178.719 176.300 -0.141 0.000 0.990 283 D CA 1.805 55.730 54.000 -0.126 0.000 0.827 283 D CB -0.383 40.357 40.800 -0.101 0.000 0.975 283 D HN 0.737 nan 8.370 nan 0.000 0.451 284 R N 1.209 121.594 120.500 -0.193 0.000 2.261 284 R HA -0.098 4.242 4.340 -0.000 0.000 0.236 284 R C 2.106 178.322 176.300 -0.139 0.000 1.141 284 R CA 1.075 57.076 56.100 -0.165 0.000 1.001 284 R CB -0.368 29.817 30.300 -0.191 0.000 0.866 284 R HN 0.120 nan 8.270 nan 0.000 0.468 285 R N 1.579 121.995 120.500 -0.140 0.000 2.075 285 R HA -0.028 4.312 4.340 -0.000 0.000 0.226 285 R C 1.456 177.706 176.300 -0.084 0.000 1.114 285 R CA 1.347 57.393 56.100 -0.090 0.000 0.972 285 R CB 0.025 30.298 30.300 -0.044 0.000 0.869 285 R HN 0.260 nan 8.270 nan 0.000 0.437 286 K N 0.087 120.442 120.400 -0.075 0.000 2.148 286 K HA -0.026 4.294 4.320 -0.000 0.000 0.204 286 K C 2.041 178.600 176.600 -0.069 0.000 1.050 286 K CA 1.092 57.342 56.287 -0.062 0.000 0.942 286 K CB -0.006 32.465 32.500 -0.049 0.000 0.724 286 K HN 0.202 nan 8.250 nan 0.000 0.446 287 A N 1.481 124.254 122.820 -0.077 0.000 1.873 287 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 287 A C 2.127 179.661 177.584 -0.082 0.000 1.186 287 A CA 1.313 53.306 52.037 -0.074 0.000 0.616 287 A CB -0.403 18.551 19.000 -0.078 0.000 0.823 287 A HN 0.150 nan 8.150 nan 0.000 0.442 288 M N -0.714 118.826 119.600 -0.100 0.000 2.296 288 M HA -0.026 4.454 4.480 -0.000 0.000 0.265 288 M C 2.069 178.279 176.300 -0.151 0.000 1.064 288 M CA 0.973 56.199 55.300 -0.124 0.000 1.109 288 M CB -0.342 32.171 32.600 -0.144 0.000 1.396 288 M HN 0.387 nan 8.290 nan 0.000 0.430 289 L N -0.059 121.082 121.223 -0.136 0.000 2.141 289 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 289 L C 2.578 179.391 176.870 -0.095 0.000 1.094 289 L CA 1.237 55.997 54.840 -0.133 0.000 0.763 289 L CB -0.250 41.751 42.059 -0.097 0.000 0.908 289 L HN 0.321 nan 8.230 nan 0.000 0.437 290 Q N 0.114 119.869 119.800 -0.075 0.000 2.123 290 Q HA -0.189 4.151 4.340 -0.000 0.000 0.199 290 Q C 1.575 177.544 176.000 -0.053 0.000 0.966 290 Q CA 1.637 57.408 55.803 -0.054 0.000 0.845 290 Q CB -0.016 28.695 28.738 -0.045 0.000 0.907 290 Q HN 0.353 nan 8.270 nan 0.000 0.439 291 D N -0.034 120.328 120.400 -0.064 0.000 2.116 291 D HA -0.173 4.467 4.640 -0.000 0.000 0.193 291 D C 1.713 177.982 176.300 -0.051 0.000 0.998 291 D CA 1.574 55.541 54.000 -0.055 0.000 0.836 291 D CB -0.192 40.570 40.800 -0.064 0.000 0.951 291 D HN 0.369 nan 8.370 nan 0.000 0.449 292 I N 0.594 121.117 120.570 -0.079 0.000 2.286 292 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 292 I C 2.362 178.461 176.117 -0.031 0.000 1.115 292 I CA 0.874 62.135 61.300 -0.065 0.000 1.392 292 I CB -0.248 37.673 38.000 -0.132 0.000 1.065 292 I HN -0.047 nan 8.210 nan 0.000 0.418 293 A N 0.695 123.493 122.820 -0.035 0.000 1.873 293 A HA -0.174 4.145 4.320 -0.000 0.000 0.215 293 A C 2.402 179.982 177.584 -0.008 0.000 1.186 293 A CA 2.329 54.356 52.037 -0.016 0.000 0.616 293 A CB -1.049 17.939 19.000 -0.020 0.000 0.823 293 A HN 0.360 nan 8.150 nan 0.000 0.442 294 T N 0.579 115.124 114.554 -0.014 0.000 2.746 294 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 294 T C 1.858 176.556 174.700 -0.003 0.000 1.039 294 T CA 1.299 63.394 62.100 -0.009 0.000 1.142 294 T CB -0.338 68.522 68.868 -0.013 0.000 0.866 294 T HN 0.320 nan 8.240 nan 0.000 0.444 295 L N 1.984 123.205 121.223 -0.003 0.000 2.083 295 L HA -0.081 4.259 4.340 -0.000 0.000 0.209 295 L C 2.327 179.202 176.870 0.009 0.000 1.083 295 L CA 2.400 57.242 54.840 0.004 0.000 0.752 295 L CB -1.355 40.709 42.059 0.008 0.000 0.899 295 L HN 0.463 nan 8.230 nan 0.000 0.433 296 T N -3.780 110.782 114.554 0.012 0.000 3.081 296 T HA 0.235 4.584 4.350 -0.000 0.000 0.250 296 T C 1.262 175.975 174.700 0.022 0.000 1.100 296 T CA 0.417 62.529 62.100 0.019 0.000 1.038 296 T CB -0.135 68.751 68.868 0.029 0.000 0.962 296 T HN 0.582 nan 8.240 nan 0.000 0.516 297 G N 0.535 109.345 108.800 0.017 0.000 2.256 297 G HA2 0.111 4.071 3.960 -0.000 0.000 0.272 297 G HA3 0.111 4.071 3.960 -0.000 0.000 0.272 297 G C 0.236 175.154 174.900 0.030 0.000 1.076 297 G CA -0.211 44.901 45.100 0.020 0.000 0.882 297 G HN 1.043 nan 8.290 nan 0.000 0.497 298 G N -1.614 107.201 108.800 0.026 0.000 2.788 298 G HA2 0.837 4.797 3.960 -0.000 0.000 0.293 298 G HA3 0.837 4.797 3.960 -0.000 0.000 0.293 298 G C -0.515 174.393 174.900 0.014 0.000 1.305 298 G CA 0.090 45.208 45.100 0.030 0.000 1.005 298 G HN 0.661 nan 8.290 nan 0.000 0.496 299 T N 0.278 114.838 114.554 0.010 0.000 2.807 299 T HA 0.444 4.794 4.350 -0.000 0.000 0.279 299 T C -0.094 174.604 174.700 -0.004 0.000 0.993 299 T CA -0.288 61.813 62.100 0.000 0.000 0.970 299 T CB 1.732 70.600 68.868 -0.001 0.000 0.950 299 T HN 0.337 nan 8.240 nan 0.000 0.441 300 V N 4.692 124.600 119.914 -0.010 0.000 2.470 300 V HA 0.235 4.355 4.120 -0.000 0.000 0.276 300 V C 0.419 176.506 176.094 -0.012 0.000 1.040 300 V CA -0.368 61.924 62.300 -0.014 0.000 1.008 300 V CB 0.168 31.977 31.823 -0.023 0.000 0.990 300 V HN 0.777 nan 8.190 nan 0.000 0.477 301 I N 5.683 126.247 120.570 -0.010 0.000 2.269 301 I HA 0.214 4.384 4.170 -0.000 0.000 0.293 301 I C 0.555 176.667 176.117 -0.007 0.000 1.106 301 I CA 0.270 61.566 61.300 -0.008 0.000 1.248 301 I CB 0.508 38.504 38.000 -0.007 0.000 1.444 301 I HN 0.714 nan 8.210 nan 0.000 0.497 302 S N 3.275 118.970 115.700 -0.008 0.000 2.475 302 S HA 0.367 4.837 4.470 -0.000 0.000 0.298 302 S C 0.595 175.192 174.600 -0.004 0.000 1.119 302 S CA -0.858 57.338 58.200 -0.007 0.000 1.085 302 S CB 1.989 65.183 63.200 -0.010 0.000 1.028 302 S HN 0.583 nan 8.310 nan 0.000 0.489 303 E N 1.644 121.843 120.200 -0.002 0.000 2.204 303 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 303 E C 1.414 178.013 176.600 -0.001 0.000 0.989 303 E CA 0.918 57.318 56.400 -0.000 0.000 0.824 303 E CB -0.034 29.668 29.700 0.003 0.000 0.756 303 E HN 0.793 nan 8.360 nan 0.000 0.477 304 E N 1.017 121.216 120.200 -0.002 0.000 2.021 304 E HA -0.199 4.151 4.350 -0.000 0.000 0.200 304 E C 1.891 178.489 176.600 -0.003 0.000 1.015 304 E CA 1.114 57.513 56.400 -0.003 0.000 0.824 304 E CB -0.204 29.493 29.700 -0.004 0.000 0.762 304 E HN 0.293 nan 8.360 nan 0.000 0.454 305 I N 0.526 121.093 120.570 -0.005 0.000 3.241 305 I HA -0.045 4.124 4.170 -0.000 0.000 0.280 305 I C 0.997 177.112 176.117 -0.004 0.000 1.320 305 I CA 0.526 61.823 61.300 -0.005 0.000 1.413 305 I CB -0.741 37.255 38.000 -0.007 0.000 1.060 305 I HN 0.272 nan 8.210 nan 0.000 0.500 306 G N 1.691 110.488 108.800 -0.003 0.000 2.256 306 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.272 306 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.272 306 G C 0.019 174.917 174.900 -0.004 0.000 1.076 306 G CA -0.164 44.934 45.100 -0.003 0.000 0.882 306 G HN 0.306 nan 8.290 nan 0.000 0.497 307 M N -0.515 119.082 119.600 -0.004 0.000 2.528 307 M HA 0.633 5.113 4.480 -0.000 0.000 0.318 307 M C 0.260 176.557 176.300 -0.004 0.000 1.195 307 M CA -0.370 54.927 55.300 -0.005 0.000 1.000 307 M CB 1.591 34.187 32.600 -0.006 0.000 1.615 307 M HN 0.226 nan 8.290 nan 0.000 0.469 308 E N 1.005 121.201 120.200 -0.006 0.000 2.272 308 E HA 0.293 4.643 4.350 -0.000 0.000 0.269 308 E C 0.064 176.659 176.600 -0.007 0.000 0.877 308 E CA -0.431 55.966 56.400 -0.005 0.000 0.755 308 E CB 2.341 32.038 29.700 -0.005 0.000 1.192 308 E HN 0.635 nan 8.360 nan 0.000 0.422 309 L N 1.699 122.919 121.223 -0.006 0.000 2.191 309 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 309 L C 1.524 178.387 176.870 -0.012 0.000 1.103 309 L CA 1.257 56.092 54.840 -0.008 0.000 0.769 309 L CB -0.233 41.824 42.059 -0.004 0.000 0.908 309 L HN 0.559 nan 8.230 nan 0.000 0.438 310 E N 0.325 120.519 120.200 -0.010 0.000 2.204 310 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 310 E C 1.423 178.014 176.600 -0.015 0.000 0.989 310 E CA 0.941 57.334 56.400 -0.012 0.000 0.824 310 E CB 0.005 29.700 29.700 -0.008 0.000 0.756 310 E HN 0.364 nan 8.360 nan 0.000 0.477 311 K N 0.093 120.484 120.400 -0.015 0.000 2.437 311 K HA 0.350 4.670 4.320 -0.000 0.000 0.205 311 K C -0.249 176.338 176.600 -0.021 0.000 1.026 311 K CA -0.140 56.137 56.287 -0.017 0.000 1.153 311 K CB 1.076 33.569 32.500 -0.013 0.000 0.863 311 K HN -0.023 nan 8.250 nan 0.000 0.502 312 A N 1.803 124.608 122.820 -0.025 0.000 2.289 312 A HA 0.323 4.643 4.320 -0.000 0.000 0.298 312 A C 0.367 177.922 177.584 -0.049 0.000 1.208 312 A CA -0.423 51.595 52.037 -0.032 0.000 0.845 312 A CB 0.296 19.279 19.000 -0.030 0.000 1.125 312 A HN 0.232 nan 8.150 nan 0.000 0.517 313 T N 0.060 114.581 114.554 -0.054 0.000 2.938 313 T HA 0.506 4.855 4.350 -0.000 0.000 0.285 313 T C 1.137 175.769 174.700 -0.113 0.000 1.028 313 T CA -0.779 61.275 62.100 -0.077 0.000 1.005 313 T CB 0.589 69.422 68.868 -0.058 0.000 1.157 313 T HN 0.352 nan 8.240 nan 0.000 0.550 314 L N 0.038 121.158 121.223 -0.173 0.000 2.263 314 L HA -0.120 4.220 4.340 -0.000 0.000 0.216 314 L C 2.848 179.640 176.870 -0.130 0.000 1.111 314 L CA 1.675 56.345 54.840 -0.284 0.000 0.773 314 L CB -0.555 41.283 42.059 -0.368 0.000 0.906 314 L HN 0.880 nan 8.230 nan 0.000 0.439 315 E N 0.066 120.228 120.200 -0.063 0.000 2.204 315 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 315 E C 1.360 177.961 176.600 0.001 0.000 0.989 315 E CA 1.053 57.447 56.400 -0.011 0.000 0.824 315 E CB 0.201 29.894 29.700 -0.011 0.000 0.756 315 E HN 0.494 nan 8.360 nan 0.000 0.477 316 D N -0.044 120.346 120.400 -0.016 0.000 2.289 316 D HA -0.035 4.605 4.640 -0.000 0.000 0.207 316 D C 0.160 176.468 176.300 0.015 0.000 0.966 316 D CA 0.184 54.182 54.000 -0.004 0.000 0.868 316 D CB 0.200 40.991 40.800 -0.015 0.000 0.943 316 D HN 0.124 nan 8.370 nan 0.000 0.514 317 L N 1.117 122.350 121.223 0.016 0.000 2.456 317 L HA 0.232 4.572 4.340 -0.000 0.000 0.272 317 L C 1.467 178.423 176.870 0.144 0.000 1.189 317 L CA 0.191 55.077 54.840 0.077 0.000 0.846 317 L CB 0.501 42.596 42.059 0.060 0.000 1.111 317 L HN -0.155 nan 8.230 nan 0.000 0.475 318 G N 1.455 110.334 108.800 0.132 0.000 2.543 318 G HA2 0.530 4.490 3.960 -0.000 0.000 0.290 318 G HA3 0.530 4.490 3.960 -0.000 0.000 0.290 318 G C -0.989 173.987 174.900 0.126 0.000 1.310 318 G CA -0.228 44.934 45.100 0.104 0.000 1.025 318 G HN 0.569 nan 8.290 nan 0.000 0.502 319 Q N -1.974 117.855 119.800 0.049 0.000 2.386 319 Q HA 0.562 4.902 4.340 -0.000 0.000 0.274 319 Q C -1.305 174.671 176.000 -0.040 0.000 1.011 319 Q CA -0.669 55.116 55.803 -0.030 0.000 0.867 319 Q CB 2.116 30.812 28.738 -0.069 0.000 1.409 319 Q HN 1.045 nan 8.270 nan 0.000 0.395 320 A N 2.138 124.917 122.820 -0.069 0.000 2.606 320 A HA 0.446 4.766 4.320 -0.000 0.000 0.293 320 A C -0.635 176.909 177.584 -0.067 0.000 1.082 320 A CA -0.616 51.394 52.037 -0.046 0.000 0.685 320 A CB 1.600 20.591 19.000 -0.014 0.000 1.284 320 A HN 0.805 nan 8.150 nan 0.000 0.408 321 K N -0.476 119.895 120.400 -0.048 0.000 2.148 321 K HA 0.007 4.327 4.320 -0.000 0.000 0.204 321 K C 0.685 177.260 176.600 -0.042 0.000 1.050 321 K CA 1.338 57.596 56.287 -0.050 0.000 0.942 321 K CB 0.138 32.617 32.500 -0.035 0.000 0.724 321 K HN 0.551 nan 8.250 nan 0.000 0.446 322 R N -0.070 120.412 120.500 -0.030 0.000 2.633 322 R HA 0.150 4.490 4.340 -0.000 0.000 0.255 322 R C -1.970 174.323 176.300 -0.011 0.000 1.106 322 R CA -0.539 55.548 56.100 -0.021 0.000 0.959 322 R CB 1.590 31.880 30.300 -0.017 0.000 1.259 322 R HN -0.047 nan 8.270 nan 0.000 0.453 323 V N 0.816 120.725 119.914 -0.009 0.000 2.735 323 V HA 0.876 4.996 4.120 -0.000 0.000 0.310 323 V C -1.284 174.805 176.094 -0.008 0.000 1.061 323 V CA -0.610 61.687 62.300 -0.006 0.000 0.913 323 V CB 2.174 33.998 31.823 0.002 0.000 1.005 323 V HN 0.435 nan 8.190 nan 0.000 0.428 324 V N 5.453 125.356 119.914 -0.017 0.000 2.531 324 V HA 0.582 4.702 4.120 -0.000 0.000 0.301 324 V C -0.324 175.753 176.094 -0.029 0.000 1.034 324 V CA -0.331 61.965 62.300 -0.008 0.000 0.865 324 V CB 1.620 33.443 31.823 0.000 0.000 0.995 324 V HN 0.869 nan 8.190 nan 0.000 0.424 325 I N 4.270 124.845 120.570 0.009 0.000 2.433 325 I HA 0.518 4.688 4.170 -0.000 0.000 0.292 325 I C -0.024 176.130 176.117 0.062 0.000 1.001 325 I CA -0.469 60.833 61.300 0.002 0.000 1.119 325 I CB 1.892 39.924 38.000 0.055 0.000 1.289 325 I HN 0.552 nan 8.210 nan 0.000 0.438 326 N N 3.956 122.620 118.700 -0.060 0.000 2.717 326 N HA 0.254 4.993 4.740 -0.000 0.000 0.314 326 N C 0.846 176.091 175.510 -0.442 0.000 1.324 326 N CA -0.560 52.439 53.050 -0.085 0.000 0.902 326 N CB 0.717 39.135 38.487 -0.115 0.000 1.126 326 N HN 0.520 nan 8.380 nan 0.000 0.579 327 K N 0.079 120.221 120.400 -0.429 0.000 2.217 327 K HA -0.079 4.241 4.320 -0.000 0.000 0.202 327 K C -0.629 175.655 176.600 -0.527 0.000 1.051 327 K CA 1.514 57.371 56.287 -0.716 0.000 0.952 327 K CB 0.061 32.424 32.500 -0.227 0.000 0.736 327 K HN 0.532 nan 8.250 nan 0.000 0.453 328 D N -0.802 119.406 120.400 -0.319 0.000 2.822 328 D HA 0.118 4.757 4.640 -0.000 0.000 0.327 328 D C -0.956 175.236 176.300 -0.180 0.000 1.577 328 D CA -0.405 53.467 54.000 -0.215 0.000 0.785 328 D CB 1.082 41.800 40.800 -0.136 0.000 1.199 328 D HN -0.153 nan 8.370 nan 0.000 0.443 329 T N -0.037 114.385 114.554 -0.219 0.000 3.172 329 T HA 0.459 4.809 4.350 -0.000 0.000 0.320 329 T C -1.220 173.301 174.700 -0.298 0.000 1.085 329 T CA -0.325 61.639 62.100 -0.225 0.000 1.052 329 T CB 1.788 70.568 68.868 -0.146 0.000 1.107 329 T HN -0.099 nan 8.240 nan 0.000 0.458 330 T N 2.685 116.924 114.554 -0.524 0.000 2.797 330 T HA 0.653 5.003 4.350 -0.000 0.000 0.279 330 T C -0.337 174.054 174.700 -0.515 0.000 0.991 330 T CA -0.497 61.239 62.100 -0.607 0.000 0.979 330 T CB 1.467 69.700 68.868 -1.058 0.000 0.943 330 T HN 0.578 nan 8.240 nan 0.000 0.444 331 T N 3.782 118.195 114.554 -0.235 0.000 2.890 331 T HA 0.580 4.930 4.350 -0.000 0.000 0.295 331 T C -0.639 174.046 174.700 -0.026 0.000 0.993 331 T CA -0.678 61.361 62.100 -0.102 0.000 0.979 331 T CB 0.073 68.903 68.868 -0.063 0.000 0.967 331 T HN 0.478 nan 8.240 nan 0.000 0.441 332 I N 6.362 126.953 120.570 0.036 0.000 2.312 332 I HA 0.405 4.575 4.170 -0.000 0.000 0.291 332 I C -0.127 176.009 176.117 0.031 0.000 1.031 332 I CA -0.675 60.655 61.300 0.050 0.000 1.293 332 I CB 1.040 39.100 38.000 0.099 0.000 1.403 332 I HN 0.566 nan 8.210 nan 0.000 0.484 333 I N 6.005 126.583 120.570 0.013 0.000 2.330 333 I HA 0.243 4.413 4.170 -0.000 0.000 0.289 333 I C -0.358 175.758 176.117 -0.000 0.000 1.001 333 I CA -0.377 60.926 61.300 0.005 0.000 1.193 333 I CB 0.997 38.995 38.000 -0.002 0.000 1.345 333 I HN 0.569 nan 8.210 nan 0.000 0.461 334 D N 4.903 125.304 120.400 0.001 0.000 3.187 334 D HA -0.109 4.531 4.640 -0.000 0.000 0.244 334 D C 0.205 176.501 176.300 -0.006 0.000 1.114 334 D CA 0.908 54.906 54.000 -0.004 0.000 0.920 334 D CB -0.270 40.523 40.800 -0.010 0.000 0.970 334 D HN 0.832 nan 8.370 nan 0.000 0.418 335 G N 0.311 109.112 108.800 0.002 0.000 2.467 335 G HA2 0.382 4.342 3.960 -0.000 0.000 0.257 335 G HA3 0.382 4.342 3.960 -0.000 0.000 0.257 335 G C 1.368 176.266 174.900 -0.003 0.000 1.227 335 G CA -0.392 44.709 45.100 0.002 0.000 0.835 335 G HN 0.373 nan 8.290 nan 0.000 0.556 336 V N 2.131 122.042 119.914 -0.005 0.000 3.444 336 V HA 0.036 4.156 4.120 -0.000 0.000 0.271 336 V C 2.070 178.166 176.094 0.003 0.000 1.188 336 V CA 0.619 62.916 62.300 -0.004 0.000 1.168 336 V CB -1.240 30.579 31.823 -0.005 0.000 0.810 336 V HN 0.808 nan 8.190 nan 0.000 0.500 337 G N 0.817 109.620 108.800 0.005 0.000 2.391 337 G HA2 0.069 4.029 3.960 -0.000 0.000 0.234 337 G HA3 0.069 4.029 3.960 -0.000 0.000 0.234 337 G C 0.019 174.921 174.900 0.003 0.000 1.284 337 G CA -0.233 44.870 45.100 0.005 0.000 0.873 337 G HN 0.292 nan 8.290 nan 0.000 0.549 338 E N 1.428 121.629 120.200 0.003 0.000 2.338 338 E HA 0.031 4.381 4.350 -0.000 0.000 0.272 338 E C 1.226 177.826 176.600 0.000 0.000 1.029 338 E CA -0.412 55.989 56.400 0.002 0.000 0.872 338 E CB 1.047 30.748 29.700 0.002 0.000 1.015 338 E HN 0.560 nan 8.360 nan 0.000 0.417 339 E N 1.918 122.117 120.200 -0.000 0.000 2.209 339 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 339 E C 1.519 178.118 176.600 -0.002 0.000 0.993 339 E CA 1.122 57.521 56.400 -0.001 0.000 0.819 339 E CB -0.257 29.442 29.700 -0.001 0.000 0.745 339 E HN 0.527 nan 8.360 nan 0.000 0.477 340 A N 1.807 124.626 122.820 -0.001 0.000 1.840 340 A HA 0.062 4.382 4.320 -0.000 0.000 0.214 340 A C 2.493 180.075 177.584 -0.003 0.000 1.198 340 A CA 1.932 53.968 52.037 -0.002 0.000 0.608 340 A CB -0.878 18.121 19.000 -0.001 0.000 0.839 340 A HN 0.284 nan 8.150 nan 0.000 0.443 341 A N 0.115 122.934 122.820 -0.002 0.000 1.859 341 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 341 A C 2.160 179.741 177.584 -0.005 0.000 1.198 341 A CA 1.777 53.812 52.037 -0.003 0.000 0.629 341 A CB -0.852 18.147 19.000 -0.002 0.000 0.830 341 A HN 0.505 nan 8.150 nan 0.000 0.446 342 I N -1.138 119.429 120.570 -0.004 0.000 2.091 342 I HA -0.323 3.847 4.170 -0.000 0.000 0.239 342 I C 2.810 178.923 176.117 -0.006 0.000 1.061 342 I CA 2.040 63.337 61.300 -0.005 0.000 1.317 342 I CB -0.381 37.617 38.000 -0.003 0.000 1.031 342 I HN 0.357 nan 8.210 nan 0.000 0.401 343 Q N 0.907 120.704 119.800 -0.005 0.000 2.226 343 Q HA -0.117 4.223 4.340 -0.000 0.000 0.204 343 Q C 1.985 177.981 176.000 -0.007 0.000 0.975 343 Q CA 1.694 57.494 55.803 -0.005 0.000 0.866 343 Q CB -0.521 28.214 28.738 -0.004 0.000 0.915 343 Q HN 0.545 nan 8.270 nan 0.000 0.440 344 G N -0.502 108.294 108.800 -0.007 0.000 2.421 344 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 344 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 344 G C 1.537 176.431 174.900 -0.010 0.000 1.143 344 G CA 0.648 45.743 45.100 -0.008 0.000 0.784 344 G HN 0.273 nan 8.290 nan 0.000 0.541 345 R N 0.448 120.941 120.500 -0.011 0.000 2.075 345 R HA 0.023 4.363 4.340 -0.000 0.000 0.232 345 R C 2.524 178.814 176.300 -0.016 0.000 1.126 345 R CA 1.340 57.431 56.100 -0.015 0.000 0.963 345 R CB -0.895 29.395 30.300 -0.016 0.000 0.858 345 R HN 0.165 nan 8.270 nan 0.000 0.435 346 V N 1.154 121.060 119.914 -0.014 0.000 2.469 346 V HA -0.251 3.869 4.120 -0.000 0.000 0.251 346 V C 2.352 178.438 176.094 -0.014 0.000 1.064 346 V CA 1.889 64.180 62.300 -0.014 0.000 1.066 346 V CB -1.062 30.755 31.823 -0.010 0.000 0.667 346 V HN 0.538 nan 8.190 nan 0.000 0.461 347 A N -0.346 122.467 122.820 -0.012 0.000 1.845 347 A HA -0.281 4.039 4.320 -0.000 0.000 0.215 347 A C 2.188 179.764 177.584 -0.014 0.000 1.195 347 A CA 1.969 53.999 52.037 -0.011 0.000 0.616 347 A CB -0.547 18.448 19.000 -0.010 0.000 0.832 347 A HN 0.604 nan 8.150 nan 0.000 0.443 348 Q N -0.260 119.531 119.800 -0.015 0.000 2.029 348 Q HA -0.209 4.131 4.340 -0.000 0.000 0.209 348 Q C 2.088 178.076 176.000 -0.020 0.000 0.999 348 Q CA 1.956 57.749 55.803 -0.017 0.000 0.857 348 Q CB -0.539 28.188 28.738 -0.018 0.000 0.926 348 Q HN 0.727 nan 8.270 nan 0.000 0.415 349 I N 0.296 120.852 120.570 -0.023 0.000 2.248 349 I HA -0.306 3.864 4.170 -0.000 0.000 0.248 349 I C 2.571 178.673 176.117 -0.025 0.000 1.107 349 I CA 1.292 62.575 61.300 -0.028 0.000 1.373 349 I CB -0.331 37.651 38.000 -0.030 0.000 1.055 349 I HN 0.173 nan 8.210 nan 0.000 0.418 350 R N 0.224 120.712 120.500 -0.020 0.000 2.280 350 R HA -0.110 4.230 4.340 -0.000 0.000 0.207 350 R C 2.260 178.551 176.300 -0.016 0.000 1.043 350 R CA 0.660 56.750 56.100 -0.017 0.000 1.006 350 R CB 0.110 30.402 30.300 -0.014 0.000 0.885 350 R HN 0.330 nan 8.270 nan 0.000 0.467 351 Q N -0.143 119.647 119.800 -0.016 0.000 2.204 351 Q HA -0.050 4.290 4.340 -0.000 0.000 0.198 351 Q C 1.813 177.804 176.000 -0.016 0.000 0.946 351 Q CA 0.918 56.713 55.803 -0.014 0.000 0.859 351 Q CB 0.319 29.050 28.738 -0.013 0.000 0.946 351 Q HN 0.404 nan 8.270 nan 0.000 0.474 352 Q N 0.489 120.277 119.800 -0.020 0.000 2.112 352 Q HA -0.150 4.190 4.340 -0.000 0.000 0.206 352 Q C 2.185 178.172 176.000 -0.022 0.000 0.987 352 Q CA 1.118 56.907 55.803 -0.022 0.000 0.858 352 Q CB -0.409 28.311 28.738 -0.030 0.000 0.905 352 Q HN 0.444 nan 8.270 nan 0.000 0.420 353 I N 1.161 121.717 120.570 -0.023 0.000 2.335 353 I HA -0.257 3.913 4.170 -0.000 0.000 0.251 353 I C 2.189 178.297 176.117 -0.015 0.000 1.129 353 I CA 1.029 62.316 61.300 -0.022 0.000 1.402 353 I CB -0.281 37.706 38.000 -0.022 0.000 1.069 353 I HN 0.140 nan 8.210 nan 0.000 0.424 354 E N 1.139 121.332 120.200 -0.012 0.000 2.033 354 E HA -0.147 4.203 4.350 -0.000 0.000 0.189 354 E C 1.695 178.291 176.600 -0.007 0.000 0.979 354 E CA 1.017 57.412 56.400 -0.008 0.000 0.802 354 E CB -0.369 29.327 29.700 -0.007 0.000 0.763 354 E HN 0.562 nan 8.360 nan 0.000 0.449 355 E N 1.102 121.297 120.200 -0.008 0.000 2.520 355 E HA 0.104 4.454 4.350 -0.000 0.000 0.201 355 E C -0.009 176.587 176.600 -0.005 0.000 1.122 355 E CA -0.091 56.305 56.400 -0.006 0.000 0.896 355 E CB -0.015 29.680 29.700 -0.008 0.000 0.891 355 E HN 0.059 nan 8.360 nan 0.000 0.533 356 A N 1.513 124.330 122.820 -0.006 0.000 2.396 356 A HA 0.110 4.429 4.320 -0.000 0.000 0.279 356 A C 1.316 178.902 177.584 0.004 0.000 1.165 356 A CA -0.320 51.715 52.037 -0.004 0.000 0.824 356 A CB 0.044 19.038 19.000 -0.009 0.000 1.100 356 A HN 0.226 nan 8.150 nan 0.000 0.516 357 T N -0.384 114.175 114.554 0.009 0.000 3.129 357 T HA 0.250 4.599 4.350 -0.000 0.000 0.251 357 T C 0.746 175.459 174.700 0.023 0.000 1.117 357 T CA 0.690 62.798 62.100 0.014 0.000 1.034 357 T CB -0.165 68.711 68.868 0.013 0.000 0.968 357 T HN 0.710 nan 8.240 nan 0.000 0.526 358 S N -1.078 114.640 115.700 0.030 0.000 2.661 358 S HA 0.408 4.877 4.470 -0.000 0.000 0.285 358 S C -0.194 174.436 174.600 0.051 0.000 1.138 358 S CA -0.681 57.548 58.200 0.048 0.000 0.855 358 S CB 1.746 64.992 63.200 0.075 0.000 1.136 358 S HN 0.081 nan 8.310 nan 0.000 0.484 359 D N 0.480 120.922 120.400 0.069 0.000 2.144 359 D HA -0.034 4.606 4.640 -0.000 0.000 0.207 359 D C 1.433 177.783 176.300 0.084 0.000 0.970 359 D CA 1.120 55.158 54.000 0.064 0.000 0.853 359 D CB -0.353 40.486 40.800 0.066 0.000 1.007 359 D HN 0.625 nan 8.370 nan 0.000 0.469 360 Y N 2.562 122.864 120.300 0.004 0.000 2.069 360 Y HA -0.278 4.272 4.550 -0.000 0.000 0.278 360 Y C 1.495 177.394 175.900 -0.001 0.000 1.175 360 Y CA 2.149 60.252 58.100 0.005 0.000 1.134 360 Y CB -0.468 37.997 38.460 0.009 0.000 0.965 360 Y HN -0.093 nan 8.280 nan 0.000 0.498 361 D N -0.750 119.642 120.400 -0.013 0.000 2.218 361 D HA -0.139 4.501 4.640 -0.000 0.000 0.204 361 D C 2.202 178.430 176.300 -0.120 0.000 0.976 361 D CA 1.343 55.279 54.000 -0.106 0.000 0.853 361 D CB -0.239 40.562 40.800 0.002 0.000 0.939 361 D HN 0.346 nan 8.370 nan 0.000 0.481 362 R N 0.505 120.962 120.500 -0.072 0.000 2.075 362 R HA -0.073 4.267 4.340 -0.000 0.000 0.226 362 R C 1.758 178.009 176.300 -0.083 0.000 1.114 362 R CA 0.826 56.892 56.100 -0.058 0.000 0.972 362 R CB 0.188 30.475 30.300 -0.022 0.000 0.869 362 R HN 0.094 nan 8.270 nan 0.000 0.437 363 E N 1.034 121.173 120.200 -0.101 0.000 2.038 363 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 363 E C 1.820 178.333 176.600 -0.146 0.000 1.000 363 E CA 1.062 57.400 56.400 -0.102 0.000 0.803 363 E CB -0.175 29.470 29.700 -0.091 0.000 0.750 363 E HN 0.191 nan 8.360 nan 0.000 0.448 364 K N 0.859 121.103 120.400 -0.261 0.000 2.103 364 K HA -0.078 4.242 4.320 -0.000 0.000 0.207 364 K C 2.422 178.932 176.600 -0.149 0.000 1.048 364 K CA 0.699 56.837 56.287 -0.249 0.000 0.930 364 K CB -0.544 31.722 32.500 -0.391 0.000 0.716 364 K HN 0.207 nan 8.250 nan 0.000 0.444 365 L N 1.050 122.196 121.223 -0.128 0.000 2.056 365 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 365 L C 2.598 179.430 176.870 -0.063 0.000 1.078 365 L CA 1.048 55.837 54.840 -0.085 0.000 0.749 365 L CB -0.412 41.605 42.059 -0.071 0.000 0.901 365 L HN 0.177 nan 8.230 nan 0.000 0.433 366 Q N 0.145 119.910 119.800 -0.059 0.000 2.124 366 Q HA -0.229 4.111 4.340 -0.000 0.000 0.202 366 Q C 2.016 177.996 176.000 -0.034 0.000 0.977 366 Q CA 1.429 57.208 55.803 -0.039 0.000 0.850 366 Q CB -0.189 28.529 28.738 -0.034 0.000 0.901 366 Q HN 0.602 nan 8.270 nan 0.000 0.429 367 E N 0.405 120.578 120.200 -0.044 0.000 2.058 367 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 367 E C 2.158 178.744 176.600 -0.024 0.000 0.997 367 E CA 0.759 57.141 56.400 -0.031 0.000 0.801 367 E CB -0.044 29.632 29.700 -0.039 0.000 0.746 367 E HN 0.273 nan 8.360 nan 0.000 0.450 368 R N 0.417 120.894 120.500 -0.037 0.000 2.081 368 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 368 R C 2.697 178.984 176.300 -0.022 0.000 1.131 368 R CA 1.617 57.698 56.100 -0.032 0.000 0.960 368 R CB -0.557 29.715 30.300 -0.047 0.000 0.856 368 R HN 0.222 nan 8.270 nan 0.000 0.436 369 V N -1.706 118.194 119.914 -0.023 0.000 2.515 369 V HA -0.043 4.076 4.120 -0.000 0.000 0.250 369 V C 2.337 178.426 176.094 -0.009 0.000 1.058 369 V CA 1.573 63.863 62.300 -0.017 0.000 1.064 369 V CB -0.928 30.884 31.823 -0.018 0.000 0.675 369 V HN 0.218 nan 8.190 nan 0.000 0.461 370 A N 0.870 123.685 122.820 -0.008 0.000 1.883 370 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 370 A C 2.340 179.926 177.584 0.005 0.000 1.186 370 A CA 2.457 54.493 52.037 -0.002 0.000 0.624 370 A CB -0.622 18.377 19.000 -0.001 0.000 0.822 370 A HN 0.618 nan 8.150 nan 0.000 0.444 371 K N -1.131 119.274 120.400 0.008 0.000 2.002 371 K HA -0.090 4.230 4.320 -0.000 0.000 0.209 371 K C 1.937 178.547 176.600 0.016 0.000 1.048 371 K CA 1.327 57.626 56.287 0.020 0.000 0.930 371 K CB -0.400 32.118 32.500 0.029 0.000 0.714 371 K HN 0.301 nan 8.250 nan 0.000 0.438 372 L N 0.977 122.204 121.223 0.007 0.000 1.955 372 L HA -0.192 4.148 4.340 -0.000 0.000 0.213 372 L C 2.299 179.170 176.870 0.003 0.000 1.072 372 L CA 2.107 56.949 54.840 0.003 0.000 0.755 372 L CB -0.957 41.098 42.059 -0.006 0.000 0.888 372 L HN 0.203 nan 8.230 nan 0.000 0.432 373 A N -1.271 121.549 122.820 0.000 0.000 2.014 373 A HA 0.006 4.326 4.320 -0.000 0.000 0.218 373 A C 2.299 179.884 177.584 0.002 0.000 1.163 373 A CA 1.297 53.334 52.037 -0.000 0.000 0.652 373 A CB -1.239 17.759 19.000 -0.003 0.000 0.808 373 A HN 0.510 nan 8.150 nan 0.000 0.449 374 G N -0.813 107.990 108.800 0.005 0.000 2.421 374 G HA2 0.320 4.279 3.960 -0.000 0.000 0.216 374 G HA3 0.320 4.279 3.960 -0.000 0.000 0.216 374 G C 1.232 176.137 174.900 0.007 0.000 1.171 374 G CA 0.955 46.059 45.100 0.006 0.000 0.775 374 G HN 1.725 nan 8.290 nan 0.000 0.543 375 G N -1.896 106.910 108.800 0.010 0.000 2.568 375 G HA2 0.066 4.026 3.960 -0.000 0.000 0.222 375 G HA3 0.066 4.026 3.960 -0.000 0.000 0.222 375 G C -0.774 174.134 174.900 0.012 0.000 1.321 375 G CA -0.217 44.889 45.100 0.010 0.000 0.893 375 G HN 1.153 nan 8.290 nan 0.000 0.569 376 V N 0.533 120.452 119.914 0.009 0.000 2.610 376 V HA 0.681 4.801 4.120 -0.000 0.000 0.298 376 V C 0.676 176.771 176.094 0.002 0.000 1.067 376 V CA -0.017 62.287 62.300 0.008 0.000 0.894 376 V CB 1.136 32.965 31.823 0.010 0.000 1.015 376 V HN 2.217 nan 8.190 nan 0.000 0.432 377 A N 4.598 127.418 122.820 0.000 0.000 2.440 377 A HA 0.668 4.987 4.320 -0.000 0.000 0.251 377 A C -0.318 177.262 177.584 -0.006 0.000 1.089 377 A CA -0.092 51.943 52.037 -0.003 0.000 0.779 377 A CB 0.605 19.602 19.000 -0.005 0.000 1.022 377 A HN 0.842 nan 8.150 nan 0.000 0.492 378 V N 4.643 124.552 119.914 -0.008 0.000 2.376 378 V HA 0.271 4.391 4.120 -0.000 0.000 0.287 378 V C -0.264 175.822 176.094 -0.013 0.000 1.015 378 V CA -0.111 62.182 62.300 -0.010 0.000 0.834 378 V CB 1.144 32.961 31.823 -0.009 0.000 1.001 378 V HN 0.729 nan 8.190 nan 0.000 0.428 379 I N 4.837 125.397 120.570 -0.017 0.000 2.304 379 I HA 0.382 4.552 4.170 -0.000 0.000 0.291 379 I C 0.238 176.344 176.117 -0.018 0.000 1.018 379 I CA -0.361 60.928 61.300 -0.019 0.000 1.260 379 I CB 1.066 39.051 38.000 -0.025 0.000 1.390 379 I HN 0.465 nan 8.210 nan 0.000 0.475 380 K N 5.594 125.985 120.400 -0.015 0.000 2.263 380 K HA 0.427 4.747 4.320 -0.000 0.000 0.272 380 K C -0.818 175.774 176.600 -0.014 0.000 1.033 380 K CA -0.545 55.734 56.287 -0.014 0.000 0.884 380 K CB 1.671 34.164 32.500 -0.012 0.000 1.107 380 K HN 0.338 nan 8.250 nan 0.000 0.460 381 V N 3.045 122.950 119.914 -0.015 0.000 2.455 381 V HA 0.240 4.360 4.120 -0.000 0.000 0.273 381 V C 0.862 176.949 176.094 -0.012 0.000 1.045 381 V CA -0.551 61.740 62.300 -0.015 0.000 0.976 381 V CB 0.999 32.812 31.823 -0.017 0.000 0.993 381 V HN 0.876 nan 8.190 nan 0.000 0.475 382 G N 2.986 111.779 108.800 -0.011 0.000 2.437 382 G HA2 0.819 4.779 3.960 -0.000 0.000 0.319 382 G HA3 0.819 4.779 3.960 -0.000 0.000 0.319 382 G C -0.512 174.383 174.900 -0.009 0.000 1.158 382 G CA 0.069 45.164 45.100 -0.009 0.000 0.899 382 G HN 1.262 nan 8.290 nan 0.000 0.502 383 A N -0.821 121.994 122.820 -0.008 0.000 2.566 383 A HA 0.754 5.074 4.320 -0.000 0.000 0.290 383 A C 0.687 178.268 177.584 -0.006 0.000 1.071 383 A CA 0.391 52.424 52.037 -0.007 0.000 0.658 383 A CB 0.480 19.476 19.000 -0.007 0.000 1.285 383 A HN 1.819 nan 8.150 nan 0.000 0.427 384 A N -0.332 122.484 122.820 -0.005 0.000 1.930 384 A HA 0.430 4.750 4.320 -0.000 0.000 0.215 384 A C 1.307 178.888 177.584 -0.004 0.000 1.176 384 A CA 2.329 54.363 52.037 -0.005 0.000 0.632 384 A CB -0.518 18.479 19.000 -0.004 0.000 0.819 384 A HN 2.211 nan 8.150 nan 0.000 0.445 385 T N -4.433 110.118 114.554 -0.005 0.000 2.916 385 T HA 0.459 4.809 4.350 -0.000 0.000 0.292 385 T C 0.498 175.196 174.700 -0.004 0.000 1.064 385 T CA 0.088 62.186 62.100 -0.004 0.000 1.011 385 T CB 1.882 70.748 68.868 -0.004 0.000 1.152 385 T HN 0.251 nan 8.240 nan 0.000 0.510 386 E N 0.358 120.556 120.200 -0.004 0.000 2.077 386 E HA -0.134 4.215 4.350 -0.000 0.000 0.193 386 E C 1.862 178.460 176.600 -0.004 0.000 0.989 386 E CA 1.470 57.868 56.400 -0.004 0.000 0.800 386 E CB -0.234 29.464 29.700 -0.003 0.000 0.746 386 E HN 0.564 nan 8.360 nan 0.000 0.452 387 V N 1.496 121.408 119.914 -0.003 0.000 2.255 387 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 387 V C 2.181 178.273 176.094 -0.004 0.000 1.051 387 V CA 2.377 64.675 62.300 -0.003 0.000 1.018 387 V CB -0.737 31.084 31.823 -0.003 0.000 0.641 387 V HN 0.302 nan 8.190 nan 0.000 0.445 388 E N -0.347 119.850 120.200 -0.004 0.000 2.077 388 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 388 E C 2.218 178.814 176.600 -0.006 0.000 0.989 388 E CA 1.510 57.907 56.400 -0.005 0.000 0.800 388 E CB -0.292 29.405 29.700 -0.005 0.000 0.746 388 E HN 0.447 nan 8.360 nan 0.000 0.452 389 M N 1.365 120.962 119.600 -0.006 0.000 2.065 389 M HA -0.200 4.280 4.480 -0.000 0.000 0.259 389 M C 1.825 178.121 176.300 -0.008 0.000 1.071 389 M CA 1.688 56.984 55.300 -0.007 0.000 1.109 389 M CB -0.289 32.307 32.600 -0.007 0.000 1.313 389 M HN -0.118 nan 8.290 nan 0.000 0.408 390 K N 0.237 120.633 120.400 -0.006 0.000 2.103 390 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 390 K C 1.960 178.556 176.600 -0.005 0.000 1.048 390 K CA 1.205 57.489 56.287 -0.005 0.000 0.930 390 K CB -0.617 31.882 32.500 -0.003 0.000 0.716 390 K HN 0.480 nan 8.250 nan 0.000 0.444 391 E N 1.549 121.745 120.200 -0.005 0.000 2.028 391 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 391 E C 1.951 178.546 176.600 -0.008 0.000 0.988 391 E CA 1.298 57.695 56.400 -0.006 0.000 0.799 391 E CB 0.005 29.702 29.700 -0.005 0.000 0.755 391 E HN 0.171 nan 8.360 nan 0.000 0.447 392 K N 0.866 121.260 120.400 -0.010 0.000 2.103 392 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 392 K C 2.341 178.931 176.600 -0.017 0.000 1.048 392 K CA 1.501 57.780 56.287 -0.013 0.000 0.930 392 K CB -0.108 32.385 32.500 -0.013 0.000 0.716 392 K HN -0.044 nan 8.250 nan 0.000 0.444 393 K N 0.163 120.554 120.400 -0.016 0.000 2.063 393 K HA -0.162 4.157 4.320 -0.000 0.000 0.208 393 K C 1.918 178.504 176.600 -0.024 0.000 1.048 393 K CA 1.359 57.634 56.287 -0.020 0.000 0.928 393 K CB -0.173 32.318 32.500 -0.015 0.000 0.713 393 K HN 0.211 nan 8.250 nan 0.000 0.442 394 A N 1.363 124.173 122.820 -0.015 0.000 1.898 394 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 394 A C 2.083 179.656 177.584 -0.019 0.000 1.181 394 A CA 1.275 53.305 52.037 -0.012 0.000 0.620 394 A CB -0.414 18.585 19.000 -0.003 0.000 0.819 394 A HN 0.320 nan 8.150 nan 0.000 0.442 395 R N -0.727 119.762 120.500 -0.019 0.000 2.115 395 R HA -0.047 4.293 4.340 -0.000 0.000 0.230 395 R C 1.973 178.252 176.300 -0.035 0.000 1.111 395 R CA 1.271 57.359 56.100 -0.020 0.000 0.976 395 R CB -0.366 29.924 30.300 -0.016 0.000 0.870 395 R HN 0.417 nan 8.270 nan 0.000 0.445 396 V N 0.941 120.829 119.914 -0.043 0.000 2.323 396 V HA -0.202 3.918 4.120 -0.000 0.000 0.244 396 V C 1.932 177.965 176.094 -0.102 0.000 1.041 396 V CA 1.694 63.959 62.300 -0.058 0.000 1.025 396 V CB -0.351 31.442 31.823 -0.050 0.000 0.656 396 V HN 0.318 nan 8.190 nan 0.000 0.451 397 E N -0.268 119.864 120.200 -0.112 0.000 2.085 397 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 397 E C 2.018 178.437 176.600 -0.302 0.000 0.994 397 E CA 1.515 57.790 56.400 -0.208 0.000 0.801 397 E CB -0.126 29.506 29.700 -0.115 0.000 0.743 397 E HN 0.579 nan 8.360 nan 0.000 0.453 398 D N -0.088 120.244 120.400 -0.114 0.000 2.077 398 D HA -0.094 4.546 4.640 -0.000 0.000 0.196 398 D C 1.993 178.267 176.300 -0.042 0.000 0.986 398 D CA 1.222 55.206 54.000 -0.026 0.000 0.829 398 D CB -0.104 40.705 40.800 0.016 0.000 0.983 398 D HN 0.115 nan 8.370 nan 0.000 0.453 399 A N 0.990 123.782 122.820 -0.047 0.000 1.986 399 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 399 A C 2.174 179.727 177.584 -0.050 0.000 1.171 399 A CA 1.116 53.133 52.037 -0.034 0.000 0.640 399 A CB -0.694 18.287 19.000 -0.033 0.000 0.811 399 A HN 0.270 nan 8.150 nan 0.000 0.451 400 L N -0.711 120.440 121.223 -0.118 0.000 1.994 400 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 400 L C 2.423 179.247 176.870 -0.076 0.000 1.071 400 L CA 2.266 57.027 54.840 -0.131 0.000 0.745 400 L CB -0.822 41.106 42.059 -0.219 0.000 0.892 400 L HN 0.528 nan 8.230 nan 0.000 0.431 401 H N -0.389 118.680 119.070 -0.002 0.000 2.352 401 H HA -0.053 4.503 4.556 -0.000 0.000 0.299 401 H C 2.147 177.476 175.328 0.001 0.000 1.097 401 H CA 1.348 57.395 56.048 -0.001 0.000 1.311 401 H CB -0.739 29.022 29.762 -0.002 0.000 1.377 401 H HN 0.491 nan 8.280 nan 0.000 0.504 402 A N 0.616 123.508 122.820 0.119 0.000 1.865 402 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 402 A C 2.657 180.268 177.584 0.044 0.000 1.191 402 A CA 2.458 54.535 52.037 0.067 0.000 0.623 402 A CB -1.052 17.973 19.000 0.041 0.000 0.826 402 A HN 0.443 nan 8.150 nan 0.000 0.444 403 T N -0.586 113.984 114.554 0.028 0.000 2.788 403 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 403 T C 2.126 176.841 174.700 0.025 0.000 1.044 403 T CA 1.252 63.363 62.100 0.018 0.000 1.139 403 T CB -0.250 68.620 68.868 0.004 0.000 0.867 403 T HN 0.273 nan 8.240 nan 0.000 0.454 404 R N 1.268 121.791 120.500 0.038 0.000 2.091 404 R HA 0.056 4.396 4.340 -0.000 0.000 0.238 404 R C 2.569 178.893 176.300 0.041 0.000 1.136 404 R CA 1.691 57.818 56.100 0.044 0.000 0.959 404 R CB -0.991 29.354 30.300 0.075 0.000 0.856 404 R HN 0.456 nan 8.270 nan 0.000 0.437 405 A N 0.039 122.887 122.820 0.047 0.000 1.968 405 A HA 0.042 4.362 4.320 -0.000 0.000 0.217 405 A C 2.290 179.891 177.584 0.028 0.000 1.169 405 A CA 1.435 53.494 52.037 0.037 0.000 0.638 405 A CB -0.432 18.593 19.000 0.040 0.000 0.812 405 A HN 0.366 nan 8.150 nan 0.000 0.446 406 A N -0.511 122.325 122.820 0.026 0.000 1.898 406 A HA 0.009 4.329 4.320 -0.000 0.000 0.216 406 A C 2.157 179.751 177.584 0.017 0.000 1.181 406 A CA 1.677 53.726 52.037 0.020 0.000 0.620 406 A CB -0.842 18.168 19.000 0.017 0.000 0.819 406 A HN 0.353 nan 8.150 nan 0.000 0.442 407 V N 0.064 119.989 119.914 0.018 0.000 2.515 407 V HA -0.238 3.882 4.120 -0.000 0.000 0.250 407 V C 2.371 178.475 176.094 0.016 0.000 1.058 407 V CA 2.223 64.533 62.300 0.015 0.000 1.064 407 V CB -0.673 31.159 31.823 0.015 0.000 0.675 407 V HN 0.636 nan 8.190 nan 0.000 0.461 408 E N -0.261 119.950 120.200 0.018 0.000 2.046 408 E HA -0.127 4.222 4.350 -0.000 0.000 0.190 408 E C 1.473 178.082 176.600 0.015 0.000 0.982 408 E CA 1.185 57.596 56.400 0.018 0.000 0.800 408 E CB 0.081 29.793 29.700 0.020 0.000 0.756 408 E HN 0.640 nan 8.360 nan 0.000 0.449 409 E N -0.793 119.417 120.200 0.016 0.000 2.759 409 E HA 0.229 4.579 4.350 -0.000 0.000 0.220 409 E C 0.064 176.672 176.600 0.013 0.000 0.974 409 E CA 0.064 56.472 56.400 0.013 0.000 1.148 409 E CB 1.638 31.346 29.700 0.013 0.000 1.059 409 E HN 0.248 nan 8.360 nan 0.000 0.493 410 G N 1.105 109.913 108.800 0.014 0.000 2.693 410 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.226 410 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.226 410 G C -0.254 174.654 174.900 0.014 0.000 1.354 410 G CA -0.420 44.688 45.100 0.013 0.000 0.873 410 G HN 0.552 nan 8.290 nan 0.000 0.562 411 V N -2.719 117.203 119.914 0.013 0.000 3.040 411 V HA 0.987 5.107 4.120 -0.000 0.000 0.312 411 V C 0.539 176.641 176.094 0.014 0.000 1.115 411 V CA 0.148 62.456 62.300 0.013 0.000 0.998 411 V CB 1.341 33.171 31.823 0.012 0.000 1.042 411 V HN 2.468 nan 8.190 nan 0.000 0.433 412 V N -0.904 119.018 119.914 0.014 0.000 3.167 412 V HA 1.014 5.134 4.120 -0.000 0.000 0.310 412 V C 0.476 176.577 176.094 0.012 0.000 1.207 412 V CA -0.747 61.562 62.300 0.015 0.000 1.059 412 V CB 1.178 33.011 31.823 0.016 0.000 1.079 412 V HN 2.122 nan 8.190 nan 0.000 0.446 413 A N 0.551 123.379 122.820 0.014 0.000 2.540 413 A HA 0.628 4.948 4.320 -0.000 0.000 0.239 413 A C 0.839 178.423 177.584 0.000 0.000 1.061 413 A CA 0.753 52.794 52.037 0.006 0.000 0.758 413 A CB -0.518 18.486 19.000 0.008 0.000 0.991 413 A HN 1.973 nan 8.150 nan 0.000 0.502 414 G N 0.336 109.130 108.800 -0.009 0.000 2.574 414 G HA2 0.533 4.493 3.960 -0.000 0.000 0.248 414 G HA3 0.533 4.493 3.960 -0.000 0.000 0.248 414 G C 1.127 176.018 174.900 -0.016 0.000 1.422 414 G CA -0.104 44.990 45.100 -0.010 0.000 1.051 414 G HN 2.227 nan 8.290 nan 0.000 0.560 415 G N -1.928 106.862 108.800 -0.017 0.000 2.187 415 G HA2 0.201 4.161 3.960 -0.000 0.000 0.261 415 G HA3 0.201 4.161 3.960 -0.000 0.000 0.261 415 G C 1.517 176.418 174.900 0.002 0.000 1.000 415 G CA 1.295 46.386 45.100 -0.015 0.000 0.718 415 G HN 2.479 nan 8.290 nan 0.000 0.519 416 G N -2.357 106.446 108.800 0.004 0.000 2.148 416 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.254 416 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.254 416 G C 1.720 176.627 174.900 0.013 0.000 0.981 416 G CA 1.809 46.915 45.100 0.010 0.000 0.670 416 G HN 2.225 nan 8.290 nan 0.000 0.528 417 V N -1.792 118.127 119.914 0.009 0.000 3.052 417 V HA 0.515 4.635 4.120 -0.000 0.000 0.254 417 V C 2.634 178.740 176.094 0.020 0.000 1.100 417 V CA 1.761 64.069 62.300 0.013 0.000 1.112 417 V CB -0.190 31.631 31.823 -0.003 0.000 0.738 417 V HN 1.310 nan 8.190 nan 0.000 0.469 418 A N 0.845 123.675 122.820 0.017 0.000 1.877 418 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 418 A C 2.207 179.804 177.584 0.022 0.000 1.186 418 A CA 2.236 54.286 52.037 0.021 0.000 0.620 418 A CB -0.718 18.292 19.000 0.017 0.000 0.822 418 A HN 0.584 nan 8.150 nan 0.000 0.443 419 L N -0.966 120.268 121.223 0.019 0.000 2.046 419 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 419 L C 2.529 179.412 176.870 0.020 0.000 1.077 419 L CA 1.359 56.210 54.840 0.018 0.000 0.747 419 L CB -0.339 41.730 42.059 0.016 0.000 0.896 419 L HN 0.471 nan 8.230 nan 0.000 0.432 420 I N -0.431 120.153 120.570 0.023 0.000 2.315 420 I HA -0.297 3.873 4.170 -0.000 0.000 0.248 420 I C 2.788 178.926 176.117 0.034 0.000 1.117 420 I CA 0.855 62.171 61.300 0.027 0.000 1.404 420 I CB 0.029 38.046 38.000 0.028 0.000 1.071 420 I HN 0.203 nan 8.210 nan 0.000 0.419 421 R N 0.458 120.982 120.500 0.039 0.000 2.070 421 R HA -0.135 4.205 4.340 -0.000 0.000 0.233 421 R C 2.047 178.369 176.300 0.037 0.000 1.137 421 R CA 2.103 58.231 56.100 0.048 0.000 0.945 421 R CB -1.112 29.220 30.300 0.053 0.000 0.845 421 R HN 0.216 nan 8.270 nan 0.000 0.430 422 V N 0.937 120.868 119.914 0.029 0.000 2.332 422 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 422 V C 2.309 178.415 176.094 0.019 0.000 1.055 422 V CA 2.056 64.369 62.300 0.022 0.000 1.038 422 V CB -0.840 30.994 31.823 0.017 0.000 0.651 422 V HN 0.591 nan 8.190 nan 0.000 0.450 423 A N 0.261 123.093 122.820 0.020 0.000 1.898 423 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 423 A C 2.533 180.128 177.584 0.018 0.000 1.181 423 A CA 2.086 54.133 52.037 0.017 0.000 0.620 423 A CB -0.795 18.215 19.000 0.016 0.000 0.819 423 A HN 0.707 nan 8.150 nan 0.000 0.442 424 S N -0.002 115.712 115.700 0.024 0.000 2.419 424 S HA -0.163 4.307 4.470 -0.000 0.000 0.235 424 S C 1.667 176.280 174.600 0.022 0.000 1.019 424 S CA 1.530 59.746 58.200 0.025 0.000 0.982 424 S CB -0.367 62.854 63.200 0.035 0.000 0.789 424 S HN 0.611 nan 8.310 nan 0.000 0.490 425 K N 0.582 120.995 120.400 0.021 0.000 2.365 425 K HA 0.248 4.568 4.320 -0.000 0.000 0.197 425 K C 1.055 177.663 176.600 0.013 0.000 1.042 425 K CA 0.503 56.800 56.287 0.017 0.000 0.987 425 K CB -0.173 32.338 32.500 0.018 0.000 0.779 425 K HN 0.433 nan 8.250 nan 0.000 0.484 426 L N 0.457 121.688 121.223 0.012 0.000 2.685 426 L HA 0.193 4.533 4.340 -0.000 0.000 0.233 426 L C 1.867 178.742 176.870 0.008 0.000 1.173 426 L CA -0.321 54.525 54.840 0.009 0.000 0.961 426 L CB -0.045 42.019 42.059 0.008 0.000 1.217 426 L HN 0.047 nan 8.230 nan 0.000 0.478 427 A N 0.258 123.084 122.820 0.009 0.000 1.948 427 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 427 A C 1.652 179.239 177.584 0.006 0.000 1.177 427 A CA 1.906 53.948 52.037 0.008 0.000 0.636 427 A CB -0.220 18.785 19.000 0.008 0.000 0.815 427 A HN 0.387 nan 8.150 nan 0.000 0.449 428 D N -1.065 119.338 120.400 0.005 0.000 2.328 428 D HA 0.158 4.798 4.640 -0.000 0.000 0.221 428 D C 0.178 176.480 176.300 0.003 0.000 1.072 428 D CA -0.218 53.784 54.000 0.004 0.000 0.850 428 D CB -0.101 40.701 40.800 0.004 0.000 0.922 428 D HN 0.342 nan 8.370 nan 0.000 0.516 429 L N 1.933 123.158 121.223 0.004 0.000 2.455 429 L HA 0.112 4.452 4.340 -0.000 0.000 0.272 429 L C 0.118 176.989 176.870 0.002 0.000 1.174 429 L CA 0.477 55.319 54.840 0.003 0.000 0.869 429 L CB 0.150 42.211 42.059 0.003 0.000 1.130 429 L HN -0.211 nan 8.230 nan 0.000 0.474 430 R N 3.289 123.790 120.500 0.002 0.000 2.867 430 R HA 0.718 5.058 4.340 -0.000 0.000 0.268 430 R C -0.225 176.075 176.300 0.001 0.000 1.014 430 R CA -0.382 55.719 56.100 0.002 0.000 0.946 430 R CB 1.515 31.816 30.300 0.001 0.000 1.208 430 R HN 0.813 nan 8.270 nan 0.000 0.477 431 G N -0.334 108.466 108.800 0.001 0.000 2.971 431 G HA2 0.213 4.173 3.960 -0.000 0.000 0.235 431 G HA3 0.213 4.173 3.960 -0.000 0.000 0.235 431 G C 0.101 175.001 174.900 0.001 0.000 1.351 431 G CA -0.268 44.832 45.100 0.001 0.000 1.039 431 G HN 0.423 nan 8.290 nan 0.000 0.563 432 Q N -0.663 119.138 119.800 0.001 0.000 2.245 432 Q HA 0.082 4.422 4.340 -0.000 0.000 0.201 432 Q C 0.302 176.302 176.000 0.001 0.000 0.955 432 Q CA 1.129 56.932 55.803 0.001 0.000 0.870 432 Q CB 0.046 28.784 28.738 0.000 0.000 0.945 432 Q HN 0.630 nan 8.270 nan 0.000 0.461 433 N N -2.143 116.558 118.700 0.001 0.000 2.972 433 N HA 0.062 4.802 4.740 -0.000 0.000 0.262 433 N C -0.066 175.444 175.510 0.001 0.000 1.478 433 N CA -0.546 52.505 53.050 0.001 0.000 0.841 433 N CB 0.504 38.992 38.487 0.001 0.000 1.512 433 N HN -0.312 nan 8.380 nan 0.000 0.548 434 E N -0.286 119.915 120.200 0.001 0.000 2.077 434 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 434 E C 0.510 177.111 176.600 0.002 0.000 0.989 434 E CA 1.602 58.003 56.400 0.001 0.000 0.800 434 E CB -0.397 29.303 29.700 0.001 0.000 0.746 434 E HN 0.596 nan 8.360 nan 0.000 0.452 435 D N 0.216 120.617 120.400 0.002 0.000 2.104 435 D HA -0.178 4.462 4.640 -0.000 0.000 0.194 435 D C 1.940 178.241 176.300 0.003 0.000 0.994 435 D CA 1.134 55.136 54.000 0.002 0.000 0.830 435 D CB -0.225 40.577 40.800 0.003 0.000 0.959 435 D HN 0.404 nan 8.370 nan 0.000 0.452 436 Q N 0.227 120.029 119.800 0.002 0.000 2.124 436 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 436 Q C 1.878 177.879 176.000 0.002 0.000 0.977 436 Q CA 0.664 56.469 55.803 0.002 0.000 0.850 436 Q CB -0.081 28.658 28.738 0.002 0.000 0.901 436 Q HN 0.274 nan 8.270 nan 0.000 0.429 437 N N 0.298 118.999 118.700 0.002 0.000 2.120 437 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 437 N C 1.919 177.430 175.510 0.003 0.000 1.024 437 N CA 1.034 54.085 53.050 0.002 0.000 0.852 437 N CB -0.285 38.203 38.487 0.002 0.000 1.003 437 N HN 0.056 nan 8.380 nan 0.000 0.424 438 V N 0.974 120.890 119.914 0.003 0.000 2.343 438 V HA -0.158 3.962 4.120 -0.000 0.000 0.247 438 V C 2.476 178.572 176.094 0.003 0.000 1.051 438 V CA 2.017 64.319 62.300 0.003 0.000 1.036 438 V CB -1.260 30.565 31.823 0.003 0.000 0.654 438 V HN 0.337 nan 8.190 nan 0.000 0.451 439 G N -0.008 108.794 108.800 0.003 0.000 2.440 439 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 439 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 439 G C 1.562 176.464 174.900 0.004 0.000 1.154 439 G CA 1.159 46.262 45.100 0.004 0.000 0.767 439 G HN 0.494 nan 8.290 nan 0.000 0.552 440 I N 0.246 120.818 120.570 0.003 0.000 2.226 440 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 440 I C 2.700 178.819 176.117 0.004 0.000 1.100 440 I CA 1.019 62.321 61.300 0.003 0.000 1.374 440 I CB -0.155 37.846 38.000 0.003 0.000 1.057 440 I HN 0.030 nan 8.210 nan 0.000 0.413 441 K N 0.616 121.018 120.400 0.004 0.000 2.097 441 K HA -0.064 4.256 4.320 -0.000 0.000 0.205 441 K C 2.151 178.754 176.600 0.005 0.000 1.050 441 K CA 0.946 57.236 56.287 0.005 0.000 0.938 441 K CB -0.642 31.860 32.500 0.004 0.000 0.718 441 K HN 0.208 nan 8.250 nan 0.000 0.442 442 V N 1.706 121.623 119.914 0.005 0.000 2.287 442 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 442 V C 2.483 178.581 176.094 0.006 0.000 1.053 442 V CA 2.072 64.375 62.300 0.006 0.000 1.027 442 V CB -0.792 31.034 31.823 0.006 0.000 0.646 442 V HN 0.294 nan 8.190 nan 0.000 0.447 443 A N -0.299 122.525 122.820 0.006 0.000 1.873 443 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 443 A C 2.193 179.781 177.584 0.007 0.000 1.186 443 A CA 1.678 53.719 52.037 0.006 0.000 0.616 443 A CB -0.548 18.455 19.000 0.004 0.000 0.823 443 A HN 0.491 nan 8.150 nan 0.000 0.442 444 L N -1.288 119.939 121.223 0.007 0.000 2.083 444 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 444 L C 2.832 179.708 176.870 0.009 0.000 1.083 444 L CA 1.528 56.373 54.840 0.008 0.000 0.752 444 L CB -0.495 41.569 42.059 0.008 0.000 0.899 444 L HN 0.404 nan 8.230 nan 0.000 0.433 445 R N -0.014 120.491 120.500 0.008 0.000 2.075 445 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 445 R C 2.406 178.710 176.300 0.008 0.000 1.126 445 R CA 1.261 57.365 56.100 0.008 0.000 0.963 445 R CB -0.206 30.097 30.300 0.006 0.000 0.858 445 R HN 0.341 nan 8.270 nan 0.000 0.435 446 A N 0.570 123.395 122.820 0.008 0.000 1.972 446 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 446 A C 2.012 179.602 177.584 0.011 0.000 1.169 446 A CA 1.213 53.256 52.037 0.009 0.000 0.635 446 A CB -0.368 18.638 19.000 0.010 0.000 0.810 446 A HN 0.280 nan 8.150 nan 0.000 0.446 447 M N -0.572 119.034 119.600 0.011 0.000 2.629 447 M HA -0.119 4.361 4.480 -0.000 0.000 0.257 447 M C 1.338 177.645 176.300 0.013 0.000 1.071 447 M CA 1.008 56.316 55.300 0.012 0.000 1.077 447 M CB -0.222 32.386 32.600 0.012 0.000 1.423 447 M HN 0.472 nan 8.290 nan 0.000 0.508 448 E N -0.123 120.084 120.200 0.011 0.000 2.400 448 E HA 0.067 4.417 4.350 -0.000 0.000 0.195 448 E C 2.054 178.658 176.600 0.008 0.000 1.012 448 E CA 0.315 56.721 56.400 0.010 0.000 0.875 448 E CB 0.162 29.867 29.700 0.008 0.000 0.859 448 E HN 0.479 nan 8.360 nan 0.000 0.498 449 A N 2.462 125.287 122.820 0.008 0.000 1.873 449 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 449 A C -0.366 177.223 177.584 0.008 0.000 1.193 449 A CA 1.499 53.540 52.037 0.007 0.000 0.629 449 A CB -1.550 17.455 19.000 0.009 0.000 0.826 449 A HN 0.122 nan 8.150 nan 0.000 0.447 450 P HA -0.196 nan 4.420 nan 0.000 0.212 450 P C 1.880 179.186 177.300 0.011 0.000 1.178 450 P CA 1.168 64.274 63.100 0.011 0.000 0.915 450 P CB -0.175 31.532 31.700 0.013 0.000 0.788 451 L N -0.897 120.333 121.223 0.011 0.000 1.990 451 L HA -0.257 4.082 4.340 -0.000 0.000 0.213 451 L C 2.536 179.410 176.870 0.006 0.000 1.072 451 L CA 1.877 56.725 54.840 0.013 0.000 0.755 451 L CB -0.369 41.696 42.059 0.011 0.000 0.889 451 L HN -0.154 nan 8.230 nan 0.000 0.432 452 R N -0.720 119.779 120.500 -0.002 0.000 2.096 452 R HA -0.280 4.060 4.340 -0.000 0.000 0.240 452 R C 2.303 178.602 176.300 -0.003 0.000 1.139 452 R CA 2.084 58.179 56.100 -0.009 0.000 0.952 452 R CB -0.404 29.892 30.300 -0.007 0.000 0.854 452 R HN 0.400 nan 8.270 nan 0.000 0.436 453 Q N 0.903 120.705 119.800 0.003 0.000 2.050 453 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 453 Q C 1.863 177.868 176.000 0.010 0.000 0.980 453 Q CA 1.675 57.481 55.803 0.005 0.000 0.840 453 Q CB -0.205 28.537 28.738 0.006 0.000 0.898 453 Q HN 0.367 nan 8.270 nan 0.000 0.424 454 I N -0.616 119.963 120.570 0.015 0.000 2.151 454 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 454 I C 2.075 178.215 176.117 0.039 0.000 1.080 454 I CA 1.195 62.510 61.300 0.025 0.000 1.339 454 I CB -0.403 37.616 38.000 0.031 0.000 1.039 454 I HN 0.093 nan 8.210 nan 0.000 0.409 455 V N 0.563 120.498 119.914 0.036 0.000 2.407 455 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 455 V C 2.362 178.465 176.094 0.015 0.000 1.055 455 V CA 1.552 63.870 62.300 0.030 0.000 1.049 455 V CB -0.495 31.296 31.823 -0.054 0.000 0.662 455 V HN 0.353 nan 8.190 nan 0.000 0.455 456 L N 0.827 122.053 121.223 0.005 0.000 2.046 456 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 456 L C 2.185 179.061 176.870 0.010 0.000 1.077 456 L CA 1.946 56.788 54.840 0.004 0.000 0.747 456 L CB -0.836 41.223 42.059 0.001 0.000 0.896 456 L HN 0.312 nan 8.230 nan 0.000 0.432 457 N N -1.131 117.577 118.700 0.013 0.000 2.289 457 N HA -0.158 4.582 4.740 -0.000 0.000 0.184 457 N C 1.703 177.223 175.510 0.017 0.000 1.016 457 N CA 1.572 54.629 53.050 0.013 0.000 0.872 457 N CB -0.724 37.770 38.487 0.011 0.000 0.973 457 N HN 0.422 nan 8.380 nan 0.000 0.433 458 C N -0.490 118.827 119.300 0.029 0.000 2.562 458 C HA 0.265 4.725 4.460 -0.000 0.000 0.266 458 C C 1.592 176.602 174.990 0.034 0.000 1.382 458 C CA 0.296 59.336 59.018 0.037 0.000 1.742 458 C CB -1.182 26.601 27.740 0.072 0.000 1.812 458 C HN 0.621 nan 8.230 nan 0.000 0.559 459 G N 1.171 109.986 108.800 0.024 0.000 2.149 459 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.235 459 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.235 459 G C -0.276 174.636 174.900 0.020 0.000 1.018 459 G CA 0.141 45.252 45.100 0.019 0.000 0.728 459 G HN 0.508 nan 8.290 nan 0.000 0.508 460 E N -0.137 120.073 120.200 0.017 0.000 2.281 460 E HA 0.445 4.795 4.350 -0.000 0.000 0.257 460 E C 0.049 176.637 176.600 -0.021 0.000 0.971 460 E CA -0.846 55.555 56.400 0.003 0.000 0.839 460 E CB 0.767 30.468 29.700 0.000 0.000 1.238 460 E HN 0.443 nan 8.360 nan 0.000 0.412 461 E N 1.715 121.895 120.200 -0.034 0.000 2.052 461 E HA 0.114 4.464 4.350 -0.000 0.000 0.283 461 E C -1.716 174.848 176.600 -0.059 0.000 1.071 461 E CA -1.580 54.799 56.400 -0.035 0.000 0.851 461 E CB 0.847 30.533 29.700 -0.023 0.000 1.066 461 E HN 0.115 nan 8.360 nan 0.000 0.396 462 P HA -0.238 nan 4.420 nan 0.000 0.215 462 P C 1.046 178.316 177.300 -0.050 0.000 1.163 462 P CA 1.289 64.357 63.100 -0.054 0.000 0.894 462 P CB 0.294 31.977 31.700 -0.029 0.000 0.791 463 S N -0.720 114.962 115.700 -0.031 0.000 2.370 463 S HA -0.137 4.332 4.470 -0.000 0.000 0.226 463 S C 2.024 176.610 174.600 -0.024 0.000 1.033 463 S CA 1.525 59.712 58.200 -0.022 0.000 1.011 463 S CB -1.409 61.782 63.200 -0.014 0.000 0.852 463 S HN -0.033 nan 8.310 nan 0.000 0.457 464 V N 1.515 121.411 119.914 -0.031 0.000 2.270 464 V HA -0.133 3.986 4.120 -0.000 0.000 0.245 464 V C 2.380 178.459 176.094 -0.025 0.000 1.043 464 V CA 1.491 63.776 62.300 -0.025 0.000 1.014 464 V CB -0.841 30.968 31.823 -0.023 0.000 0.645 464 V HN 0.353 nan 8.190 nan 0.000 0.447 465 V N 0.422 120.286 119.914 -0.083 0.000 2.343 465 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 465 V C 2.739 178.812 176.094 -0.034 0.000 1.051 465 V CA 1.991 64.214 62.300 -0.129 0.000 1.036 465 V CB -1.229 30.294 31.823 -0.499 0.000 0.654 465 V HN 0.551 nan 8.190 nan 0.000 0.451 466 A N 0.320 123.114 122.820 -0.043 0.000 1.908 466 A HA -0.301 4.019 4.320 -0.000 0.000 0.218 466 A C 2.074 179.673 177.584 0.026 0.000 1.181 466 A CA 2.442 54.477 52.037 -0.004 0.000 0.627 466 A CB -0.841 18.153 19.000 -0.009 0.000 0.818 466 A HN 0.605 nan 8.150 nan 0.000 0.445 467 N N -0.656 118.055 118.700 0.018 0.000 2.058 467 N HA -0.115 4.625 4.740 -0.000 0.000 0.191 467 N C 1.752 177.289 175.510 0.044 0.000 1.037 467 N CA 2.276 55.340 53.050 0.023 0.000 0.848 467 N CB -0.446 38.044 38.487 0.006 0.000 1.021 467 N HN 0.399 nan 8.380 nan 0.000 0.422 468 T N -0.212 114.372 114.554 0.050 0.000 2.684 468 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 468 T C 1.978 176.790 174.700 0.186 0.000 1.036 468 T CA 1.398 63.530 62.100 0.054 0.000 1.148 468 T CB -0.539 68.286 68.868 -0.071 0.000 0.863 468 T HN 0.011 nan 8.240 nan 0.000 0.436 469 V N 1.545 121.590 119.914 0.218 0.000 2.287 469 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 469 V C 2.484 178.693 176.094 0.193 0.000 1.053 469 V CA 1.634 64.059 62.300 0.208 0.000 1.027 469 V CB -0.514 31.376 31.823 0.111 0.000 0.646 469 V HN 0.480 nan 8.190 nan 0.000 0.447 470 K N 0.087 120.560 120.400 0.122 0.000 2.152 470 K HA -0.138 4.181 4.320 -0.000 0.000 0.206 470 K C 2.195 178.853 176.600 0.097 0.000 1.048 470 K CA 1.372 57.715 56.287 0.093 0.000 0.933 470 K CB -0.578 31.956 32.500 0.056 0.000 0.721 470 K HN 0.592 nan 8.250 nan 0.000 0.447 471 G N 1.134 109.996 108.800 0.103 0.000 2.422 471 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.218 471 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.218 471 G C 0.863 175.801 174.900 0.063 0.000 1.140 471 G CA 0.741 45.880 45.100 0.066 0.000 0.775 471 G HN 0.389 nan 8.290 nan 0.000 0.545 472 G N -0.762 108.141 108.800 0.171 0.000 2.525 472 G HA2 0.450 4.410 3.960 -0.000 0.000 0.276 472 G HA3 0.450 4.410 3.960 -0.000 0.000 0.276 472 G C -0.717 174.253 174.900 0.116 0.000 1.388 472 G CA -0.281 44.873 45.100 0.091 0.000 1.050 472 G HN 0.204 nan 8.290 nan 0.000 0.520 473 D N -2.054 118.408 120.400 0.102 0.000 2.559 473 D HA 0.500 5.140 4.640 -0.000 0.000 0.250 473 D C 0.878 177.254 176.300 0.127 0.000 1.135 473 D CA 0.573 54.627 54.000 0.090 0.000 0.955 473 D CB 1.683 42.499 40.800 0.027 0.000 1.442 473 D HN 0.829 nan 8.370 nan 0.000 0.471 474 G N 1.177 110.030 108.800 0.088 0.000 2.627 474 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.312 474 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.312 474 G C 0.326 175.289 174.900 0.105 0.000 1.299 474 G CA 0.561 45.711 45.100 0.083 0.000 0.989 474 G HN 0.587 nan 8.290 nan 0.000 0.547 475 N N 0.122 118.883 118.700 0.101 0.000 2.346 475 N HA 0.321 5.061 4.740 -0.000 0.000 0.225 475 N C -0.026 175.559 175.510 0.125 0.000 1.144 475 N CA 0.062 53.166 53.050 0.090 0.000 0.837 475 N CB 0.117 38.639 38.487 0.058 0.000 1.069 475 N HN 0.535 nan 8.380 nan 0.000 0.487 476 Y N 0.639 120.970 120.300 0.053 0.000 2.402 476 Y HA 0.521 5.071 4.550 -0.000 0.000 0.333 476 Y C 0.689 176.651 175.900 0.104 0.000 1.076 476 Y CA -0.253 57.893 58.100 0.076 0.000 1.299 476 Y CB 0.132 38.638 38.460 0.077 0.000 1.197 476 Y HN 0.045 nan 8.280 nan 0.000 0.517 477 G N 4.133 112.641 108.800 -0.486 0.000 2.846 477 G HA2 0.249 4.208 3.960 -0.000 0.000 0.299 477 G HA3 0.249 4.208 3.960 -0.000 0.000 0.299 477 G C -2.383 172.297 174.900 -0.367 0.000 1.242 477 G CA -0.890 43.986 45.100 -0.373 0.000 0.800 477 G HN 0.561 nan 8.290 nan 0.000 0.538 478 Y N 1.487 121.542 120.300 -0.407 0.000 2.328 478 Y HA 0.558 5.108 4.550 -0.000 0.000 0.333 478 Y C -0.165 175.516 175.900 -0.365 0.000 0.958 478 Y CA -1.390 56.350 58.100 -0.600 0.000 1.167 478 Y CB 1.526 39.586 38.460 -0.667 0.000 1.151 478 Y HN 0.396 nan 8.280 nan 0.000 0.470 479 N N 5.104 123.344 118.700 -0.767 0.000 2.508 479 N HA 0.118 4.858 4.740 -0.000 0.000 0.253 479 N C 0.721 175.701 175.510 -0.884 0.000 1.145 479 N CA 0.696 53.395 53.050 -0.586 0.000 0.973 479 N CB 1.058 39.312 38.487 -0.387 0.000 1.305 479 N HN 0.935 nan 8.380 nan 0.000 0.506 480 A N 3.779 126.212 122.820 -0.644 0.000 1.986 480 A HA -0.148 4.171 4.320 -0.000 0.000 0.220 480 A C 2.085 179.497 177.584 -0.286 0.000 1.171 480 A CA 1.879 53.660 52.037 -0.427 0.000 0.640 480 A CB -0.544 18.420 19.000 -0.060 0.000 0.811 480 A HN 0.697 nan 8.150 nan 0.000 0.451 481 A N -0.814 121.862 122.820 -0.240 0.000 1.969 481 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 481 A C 2.214 179.704 177.584 -0.156 0.000 1.169 481 A CA 2.254 54.200 52.037 -0.152 0.000 0.635 481 A CB -0.715 18.214 19.000 -0.118 0.000 0.810 481 A HN 0.879 nan 8.150 nan 0.000 0.445 482 T N -4.270 110.150 114.554 -0.223 0.000 3.040 482 T HA 0.277 4.627 4.350 -0.000 0.000 0.266 482 T C 0.192 174.777 174.700 -0.192 0.000 1.005 482 T CA 0.655 62.655 62.100 -0.168 0.000 0.906 482 T CB -0.230 68.557 68.868 -0.136 0.000 1.082 482 T HN 0.550 nan 8.240 nan 0.000 0.531 483 E N 0.924 120.909 120.200 -0.357 0.000 2.722 483 E HA -0.140 4.210 4.350 -0.000 0.000 0.265 483 E C -0.879 175.606 176.600 -0.192 0.000 1.081 483 E CA 0.590 56.815 56.400 -0.293 0.000 0.781 483 E CB -1.130 28.580 29.700 0.018 0.000 1.372 483 E HN 0.610 nan 8.360 nan 0.000 0.423 484 E N 0.105 120.111 120.200 -0.324 0.000 2.183 484 E HA 0.357 4.707 4.350 -0.000 0.000 0.271 484 E C -0.479 176.021 176.600 -0.166 0.000 0.919 484 E CA -0.570 55.767 56.400 -0.105 0.000 0.781 484 E CB 0.812 30.474 29.700 -0.062 0.000 1.140 484 E HN 0.062 nan 8.360 nan 0.000 0.402 485 Y N 0.367 120.688 120.300 0.035 0.000 2.320 485 Y HA 0.611 5.161 4.550 -0.000 0.000 0.324 485 Y C 1.185 177.119 175.900 0.056 0.000 1.190 485 Y CA 0.286 58.387 58.100 0.003 0.000 1.215 485 Y CB 1.862 40.392 38.460 0.116 0.000 1.221 485 Y HN 0.666 nan 8.280 nan 0.000 0.486 486 G N 1.058 109.932 108.800 0.123 0.000 2.336 486 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.286 486 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.286 486 G C -1.760 173.241 174.900 0.168 0.000 1.269 486 G CA -1.195 44.048 45.100 0.238 0.000 0.873 486 G HN 0.512 nan 8.290 nan 0.000 0.494 487 N N 1.185 119.977 118.700 0.153 0.000 2.405 487 N HA 0.101 4.841 4.740 -0.000 0.000 0.260 487 N C 1.742 177.272 175.510 0.035 0.000 1.152 487 N CA -0.472 52.645 53.050 0.110 0.000 0.948 487 N CB 0.775 39.319 38.487 0.095 0.000 1.111 487 N HN 0.368 nan 8.380 nan 0.000 0.485 488 M N 3.559 123.163 119.600 0.006 0.000 2.106 488 M HA -0.197 4.283 4.480 -0.000 0.000 0.259 488 M C 1.688 177.981 176.300 -0.011 0.000 1.068 488 M CA 1.238 56.522 55.300 -0.026 0.000 1.100 488 M CB -0.658 31.924 32.600 -0.031 0.000 1.351 488 M HN 0.558 nan 8.290 nan 0.000 0.404 489 I N 0.388 120.962 120.570 0.007 0.000 2.226 489 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 489 I C 1.906 178.027 176.117 0.006 0.000 1.100 489 I CA 1.463 62.767 61.300 0.007 0.000 1.374 489 I CB -1.649 36.360 38.000 0.016 0.000 1.057 489 I HN 0.244 nan 8.210 nan 0.000 0.413 490 D N 0.736 121.144 120.400 0.013 0.000 2.144 490 D HA -0.145 4.495 4.640 -0.000 0.000 0.199 490 D C 2.159 178.459 176.300 0.001 0.000 0.984 490 D CA 1.137 55.144 54.000 0.012 0.000 0.834 490 D CB -0.184 40.630 40.800 0.023 0.000 0.955 490 D HN 0.342 nan 8.370 nan 0.000 0.465 491 M N -0.464 119.131 119.600 -0.008 0.000 2.682 491 M HA 0.126 4.606 4.480 -0.000 0.000 0.235 491 M C 0.983 177.266 176.300 -0.030 0.000 1.114 491 M CA 0.460 55.745 55.300 -0.025 0.000 1.053 491 M CB 0.282 32.854 32.600 -0.047 0.000 1.599 491 M HN 0.051 nan 8.290 nan 0.000 0.520 492 G N 2.054 110.842 108.800 -0.020 0.000 2.198 492 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.260 492 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.260 492 G C -0.012 174.873 174.900 -0.026 0.000 1.025 492 G CA -0.105 44.983 45.100 -0.019 0.000 0.769 492 G HN 0.553 nan 8.290 nan 0.000 0.507 493 I N 0.840 121.390 120.570 -0.032 0.000 2.412 493 I HA 0.494 4.664 4.170 -0.000 0.000 0.279 493 I C 0.261 176.364 176.117 -0.025 0.000 1.063 493 I CA -0.886 60.392 61.300 -0.037 0.000 1.193 493 I CB 0.431 38.394 38.000 -0.062 0.000 1.370 493 I HN 0.218 nan 8.210 nan 0.000 0.479 494 L N 2.732 123.946 121.223 -0.014 0.000 2.277 494 L HA 0.828 5.168 4.340 -0.000 0.000 0.254 494 L C -1.091 175.779 176.870 -0.000 0.000 1.044 494 L CA -0.681 54.156 54.840 -0.005 0.000 0.842 494 L CB 1.411 43.469 42.059 -0.000 0.000 1.422 494 L HN 0.016 nan 8.230 nan 0.000 0.422 495 D N -0.739 119.664 120.400 0.005 0.000 2.819 495 D HA 0.426 5.066 4.640 -0.000 0.000 0.232 495 D C -2.823 173.485 176.300 0.014 0.000 1.160 495 D CA -1.097 52.909 54.000 0.010 0.000 0.858 495 D CB 2.731 43.537 40.800 0.011 0.000 1.610 495 D HN 0.362 nan 8.370 nan 0.000 0.481 496 P HA 0.071 nan 4.420 nan 0.000 0.267 496 P C 0.887 178.198 177.300 0.019 0.000 1.209 496 P CA 0.107 63.218 63.100 0.019 0.000 0.763 496 P CB 0.592 32.306 31.700 0.025 0.000 0.816 497 T N 2.632 117.196 114.554 0.017 0.000 2.760 497 T HA -0.248 4.102 4.350 -0.000 0.000 0.269 497 T C 1.599 176.309 174.700 0.016 0.000 1.047 497 T CA 1.443 63.552 62.100 0.015 0.000 1.139 497 T CB -0.281 68.595 68.868 0.013 0.000 0.855 497 T HN 0.502 nan 8.240 nan 0.000 0.471 498 K N 0.860 121.272 120.400 0.019 0.000 2.097 498 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 498 K C 2.442 179.060 176.600 0.031 0.000 1.049 498 K CA 1.436 57.736 56.287 0.023 0.000 0.933 498 K CB -0.238 32.277 32.500 0.025 0.000 0.717 498 K HN 0.391 nan 8.250 nan 0.000 0.442 499 V N -1.062 118.870 119.914 0.031 0.000 2.379 499 V HA -0.140 3.979 4.120 -0.000 0.000 0.245 499 V C 1.816 177.933 176.094 0.039 0.000 1.044 499 V CA 2.142 64.465 62.300 0.038 0.000 1.036 499 V CB -0.791 31.050 31.823 0.030 0.000 0.664 499 V HN 0.229 nan 8.190 nan 0.000 0.453 500 T N 0.545 115.116 114.554 0.028 0.000 2.708 500 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 500 T C 1.987 176.700 174.700 0.022 0.000 1.037 500 T CA 2.195 64.309 62.100 0.025 0.000 1.146 500 T CB -0.399 68.480 68.868 0.018 0.000 0.865 500 T HN 0.612 nan 8.240 nan 0.000 0.435 501 R N 0.909 121.418 120.500 0.015 0.000 2.083 501 R HA -0.116 4.224 4.340 -0.000 0.000 0.237 501 R C 2.563 178.858 176.300 -0.008 0.000 1.137 501 R CA 1.899 57.998 56.100 -0.002 0.000 0.951 501 R CB -0.405 29.890 30.300 -0.009 0.000 0.851 501 R HN 0.248 nan 8.270 nan 0.000 0.434 502 S N 0.561 116.275 115.700 0.024 0.000 2.348 502 S HA -0.156 4.314 4.470 -0.000 0.000 0.221 502 S C 2.057 176.748 174.600 0.151 0.000 1.033 502 S CA 1.217 59.460 58.200 0.071 0.000 1.010 502 S CB -0.397 62.908 63.200 0.175 0.000 0.891 502 S HN 0.592 nan 8.310 nan 0.000 0.442 503 A N 1.535 124.430 122.820 0.126 0.000 1.873 503 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 503 A C 2.169 179.808 177.584 0.092 0.000 1.193 503 A CA 1.782 53.891 52.037 0.119 0.000 0.629 503 A CB -0.910 18.130 19.000 0.067 0.000 0.826 503 A HN 0.408 nan 8.150 nan 0.000 0.447 504 L N -0.169 121.080 121.223 0.044 0.000 1.976 504 L HA -0.220 4.119 4.340 -0.000 0.000 0.209 504 L C 2.606 179.476 176.870 -0.000 0.000 1.071 504 L CA 2.531 57.383 54.840 0.020 0.000 0.746 504 L CB -0.901 41.160 42.059 0.005 0.000 0.890 504 L HN 0.543 nan 8.230 nan 0.000 0.432 505 Q N -1.711 118.057 119.800 -0.054 0.000 2.061 505 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 505 Q C 2.205 178.124 176.000 -0.135 0.000 0.984 505 Q CA 2.202 57.924 55.803 -0.134 0.000 0.846 505 Q CB -0.449 28.140 28.738 -0.248 0.000 0.902 505 Q HN 0.518 nan 8.270 nan 0.000 0.421 506 Y N 0.313 120.612 120.300 -0.002 0.000 2.200 506 Y HA -0.191 4.360 4.550 0.000 0.000 0.290 506 Y C 2.423 178.323 175.900 -0.001 0.000 1.137 506 Y CA 0.946 59.044 58.100 -0.003 0.000 1.163 506 Y CB -0.724 37.733 38.460 -0.005 0.000 0.988 506 Y HN 0.142 nan 8.280 nan 0.000 0.518 507 A N 0.085 122.995 122.820 0.151 0.000 1.858 507 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 507 A C 2.492 180.110 177.584 0.057 0.000 1.190 507 A CA 2.145 54.234 52.037 0.087 0.000 0.617 507 A CB -1.390 17.646 19.000 0.060 0.000 0.827 507 A HN 0.391 nan 8.150 nan 0.000 0.443 508 A N -0.773 122.068 122.820 0.035 0.000 1.978 508 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 508 A C 2.466 180.061 177.584 0.019 0.000 1.170 508 A CA 2.373 54.420 52.037 0.017 0.000 0.636 508 A CB -0.960 18.040 19.000 -0.001 0.000 0.810 508 A HN 0.632 nan 8.150 nan 0.000 0.448 509 S N -0.940 114.777 115.700 0.027 0.000 2.343 509 S HA -0.144 4.326 4.470 -0.000 0.000 0.219 509 S C 1.989 176.617 174.600 0.047 0.000 1.033 509 S CA 1.773 59.993 58.200 0.034 0.000 1.014 509 S CB -0.653 62.579 63.200 0.054 0.000 0.915 509 S HN 0.619 nan 8.310 nan 0.000 0.435 510 V N 1.837 121.790 119.914 0.065 0.000 2.427 510 V HA 0.002 4.122 4.120 -0.000 0.000 0.248 510 V C 2.604 178.719 176.094 0.035 0.000 1.051 510 V CA 2.060 64.390 62.300 0.050 0.000 1.048 510 V CB -1.122 30.732 31.823 0.051 0.000 0.666 510 V HN 0.603 nan 8.190 nan 0.000 0.456 511 A N 0.086 122.926 122.820 0.033 0.000 1.902 511 A HA -0.043 4.276 4.320 -0.000 0.000 0.217 511 A C 2.371 179.967 177.584 0.020 0.000 1.181 511 A CA 1.903 53.955 52.037 0.024 0.000 0.623 511 A CB -1.420 17.593 19.000 0.022 0.000 0.818 511 A HN 0.660 nan 8.150 nan 0.000 0.443 512 G N -0.239 108.572 108.800 0.019 0.000 2.418 512 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 512 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 512 G C 1.556 176.467 174.900 0.017 0.000 1.158 512 G CA 1.002 46.111 45.100 0.015 0.000 0.771 512 G HN 0.428 nan 8.290 nan 0.000 0.545 513 L N -0.263 120.972 121.223 0.020 0.000 2.017 513 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 513 L C 3.136 180.018 176.870 0.020 0.000 1.073 513 L CA 1.142 55.994 54.840 0.020 0.000 0.745 513 L CB -0.354 41.719 42.059 0.024 0.000 0.894 513 L HN 0.246 nan 8.230 nan 0.000 0.432 514 M N -0.556 119.056 119.600 0.020 0.000 2.086 514 M HA -0.228 4.251 4.480 -0.000 0.000 0.261 514 M C 2.313 178.624 176.300 0.018 0.000 1.067 514 M CA 1.836 57.148 55.300 0.020 0.000 1.116 514 M CB -0.390 32.222 32.600 0.020 0.000 1.348 514 M HN 0.196 nan 8.290 nan 0.000 0.407 515 I N 0.094 120.674 120.570 0.016 0.000 2.423 515 I HA -0.229 3.941 4.170 -0.000 0.000 0.254 515 I C 1.704 177.830 176.117 0.015 0.000 1.151 515 I CA 1.469 62.778 61.300 0.014 0.000 1.421 515 I CB -0.531 37.476 38.000 0.013 0.000 1.079 515 I HN 0.405 nan 8.210 nan 0.000 0.431 516 T N -3.074 111.490 114.554 0.017 0.000 3.251 516 T HA 0.171 4.521 4.350 -0.000 0.000 0.259 516 T C 0.416 175.129 174.700 0.021 0.000 0.998 516 T CA -0.322 61.789 62.100 0.018 0.000 0.905 516 T CB -0.369 68.509 68.868 0.016 0.000 1.067 516 T HN -0.070 nan 8.240 nan 0.000 0.569 517 T N 1.934 116.501 114.554 0.021 0.000 2.795 517 T HA 0.370 4.720 4.350 -0.000 0.000 0.282 517 T C 0.499 175.216 174.700 0.028 0.000 0.980 517 T CA -0.578 61.536 62.100 0.023 0.000 1.012 517 T CB 1.753 70.633 68.868 0.020 0.000 0.936 517 T HN 0.090 nan 8.240 nan 0.000 0.457 518 E N 0.534 120.758 120.200 0.039 0.000 2.465 518 E HA 0.187 4.537 4.350 -0.000 0.000 0.209 518 E C 0.023 176.664 176.600 0.069 0.000 0.951 518 E CA 0.131 56.572 56.400 0.069 0.000 0.997 518 E CB 0.776 30.534 29.700 0.098 0.000 1.025 518 E HN 0.550 nan 8.360 nan 0.000 0.500 519 C N 0.570 119.868 119.300 -0.003 0.000 2.783 519 C HA 0.686 5.146 4.460 -0.000 0.000 0.312 519 C C -1.330 173.593 174.990 -0.113 0.000 1.182 519 C CA -0.578 58.348 59.018 -0.154 0.000 1.432 519 C CB 0.566 28.208 27.740 -0.163 0.000 1.933 519 C HN 0.131 nan 8.230 nan 0.000 0.473 520 M N 4.919 124.435 119.600 -0.139 0.000 2.327 520 M HA 0.560 5.039 4.480 -0.000 0.000 0.298 520 M C -1.186 175.172 176.300 0.097 0.000 1.065 520 M CA -0.540 54.791 55.300 0.050 0.000 0.916 520 M CB 2.096 34.841 32.600 0.241 0.000 1.630 520 M HN 0.354 nan 8.290 nan 0.000 0.442 521 V N 1.480 121.414 119.914 0.034 0.000 2.487 521 V HA 0.758 4.878 4.120 -0.000 0.000 0.298 521 V C -0.266 175.775 176.094 -0.089 0.000 1.028 521 V CA -0.377 61.918 62.300 -0.007 0.000 0.860 521 V CB 1.912 33.716 31.823 -0.032 0.000 0.991 521 V HN 0.955 nan 8.190 nan 0.000 0.427 522 T N 2.341 116.792 114.554 -0.171 0.000 2.787 522 T HA 0.449 4.799 4.350 -0.000 0.000 0.297 522 T C -1.093 173.490 174.700 -0.195 0.000 1.221 522 T CA -0.512 61.424 62.100 -0.274 0.000 1.006 522 T CB 1.917 70.433 68.868 -0.588 0.000 1.328 522 T HN 0.680 nan 8.240 nan 0.000 0.509 523 D N 0.900 121.196 120.400 -0.172 0.000 2.358 523 D HA 0.424 5.064 4.640 -0.000 0.000 0.244 523 D C -0.397 175.840 176.300 -0.104 0.000 1.163 523 D CA -0.241 53.694 54.000 -0.108 0.000 0.945 523 D CB 0.402 41.151 40.800 -0.085 0.000 1.152 523 D HN 0.162 nan 8.370 nan 0.000 0.451 524 L N 2.766 123.956 121.223 -0.054 0.000 2.367 524 L HA 0.276 4.616 4.340 -0.000 0.000 0.275 524 L C -1.457 175.393 176.870 -0.033 0.000 1.129 524 L CA -1.293 53.529 54.840 -0.030 0.000 0.839 524 L CB -0.247 41.807 42.059 -0.008 0.000 1.133 524 L HN 0.410 nan 8.230 nan 0.000 0.453 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.087 63.100 -0.023 0.000 0.800 525 P CB 0.000 31.697 31.700 -0.005 0.000 0.726