REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1sx4_1_D 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 0.000 177.575 177.584 -0.015 0.000 1.274 2 A CA 0.000 52.028 52.037 -0.016 0.000 0.836 2 A CB 0.000 18.987 19.000 -0.022 0.000 0.831 3 A N 2.572 125.387 122.820 -0.010 0.000 2.603 3 A HA 0.441 4.761 4.320 0.000 0.000 0.235 3 A C 0.347 177.923 177.584 -0.013 0.000 1.035 3 A CA 0.633 52.667 52.037 -0.006 0.000 0.755 3 A CB -0.130 18.870 19.000 -0.001 0.000 0.954 3 A HN 0.631 nan 8.150 nan 0.000 0.511 4 K N 1.632 122.026 120.400 -0.009 0.000 2.166 4 K HA 0.409 4.729 4.320 0.000 0.000 0.245 4 K C -1.081 175.522 176.600 0.005 0.000 0.967 4 K CA -0.745 55.532 56.287 -0.018 0.000 0.863 4 K CB 1.467 33.954 32.500 -0.021 0.000 1.107 4 K HN 0.692 nan 8.250 nan 0.000 0.436 5 D N 1.839 122.246 120.400 0.011 0.000 2.392 5 D HA 0.213 4.853 4.640 0.000 0.000 0.228 5 D C -0.936 175.453 176.300 0.147 0.000 1.074 5 D CA -0.542 53.515 54.000 0.095 0.000 0.838 5 D CB 0.937 41.819 40.800 0.137 0.000 1.067 5 D HN 0.275 nan 8.370 nan 0.000 0.511 6 V N 1.329 121.280 119.914 0.062 0.000 2.427 6 V HA 0.636 4.757 4.120 0.000 0.000 0.286 6 V C -0.231 175.738 176.094 -0.208 0.000 1.034 6 V CA -0.610 61.650 62.300 -0.066 0.000 0.893 6 V CB 1.481 33.163 31.823 -0.236 0.000 0.982 6 V HN 0.309 nan 8.190 nan 0.000 0.452 7 K N 3.952 124.169 120.400 -0.305 0.000 2.316 7 K HA 0.712 5.032 4.320 0.000 0.000 0.251 7 K C -1.537 174.771 176.600 -0.486 0.000 0.934 7 K CA -0.469 55.560 56.287 -0.430 0.000 0.802 7 K CB 2.174 34.237 32.500 -0.728 0.000 1.171 7 K HN 0.730 nan 8.250 nan 0.000 0.426 8 F N 0.208 120.110 119.950 -0.081 0.000 2.556 8 F HA 0.374 4.901 4.527 0.000 0.000 0.327 8 F C 1.392 177.159 175.800 -0.054 0.000 1.059 8 F CA -0.013 57.960 58.000 -0.045 0.000 0.953 8 F CB 1.688 40.671 39.000 -0.028 0.000 1.227 8 F HN 0.815 nan 8.300 nan 0.000 0.478 9 G N 1.830 110.753 108.800 0.205 0.000 2.651 9 G HA2 -0.531 3.429 3.960 0.000 0.000 0.387 9 G HA3 -0.531 3.429 3.960 0.000 0.000 0.387 9 G C 1.040 175.962 174.900 0.037 0.000 1.291 9 G CA 1.435 46.591 45.100 0.093 0.000 0.958 9 G HN 0.911 nan 8.290 nan 0.000 0.549 10 N N 0.059 118.772 118.700 0.022 0.000 2.104 10 N HA -0.112 4.628 4.740 0.000 0.000 0.190 10 N C 1.822 177.321 175.510 -0.020 0.000 1.024 10 N CA 2.245 55.296 53.050 0.002 0.000 0.853 10 N CB -0.321 38.166 38.487 0.001 0.000 1.008 10 N HN 0.545 nan 8.380 nan 0.000 0.424 11 D N -0.213 120.170 120.400 -0.027 0.000 2.205 11 D HA -0.229 4.411 4.640 0.000 0.000 0.190 11 D C 1.849 178.075 176.300 -0.124 0.000 1.002 11 D CA 2.121 56.079 54.000 -0.071 0.000 0.848 11 D CB -0.736 40.022 40.800 -0.071 0.000 0.975 11 D HN 0.474 nan 8.370 nan 0.000 0.449 12 A N 0.220 122.957 122.820 -0.137 0.000 1.902 12 A HA -0.206 4.114 4.320 0.000 0.000 0.217 12 A C 2.221 179.754 177.584 -0.085 0.000 1.181 12 A CA 1.715 53.637 52.037 -0.191 0.000 0.623 12 A CB -0.455 18.455 19.000 -0.149 0.000 0.818 12 A HN 0.175 nan 8.150 nan 0.000 0.443 13 R N -0.812 119.666 120.500 -0.036 0.000 2.070 13 R HA -0.101 4.239 4.340 0.000 0.000 0.233 13 R C 2.088 178.382 176.300 -0.011 0.000 1.137 13 R CA 1.484 57.578 56.100 -0.009 0.000 0.945 13 R CB -0.883 29.418 30.300 0.002 0.000 0.845 13 R HN 0.355 nan 8.270 nan 0.000 0.430 14 V N 2.161 122.062 119.914 -0.021 0.000 2.277 14 V HA -0.358 3.762 4.120 0.000 0.000 0.253 14 V C 2.356 178.444 176.094 -0.011 0.000 1.067 14 V CA 1.918 64.208 62.300 -0.017 0.000 1.047 14 V CB -0.421 31.387 31.823 -0.025 0.000 0.649 14 V HN 0.340 nan 8.190 nan 0.000 0.447 15 K N -0.837 119.545 120.400 -0.029 0.000 2.026 15 K HA -0.149 4.171 4.320 0.000 0.000 0.208 15 K C 2.123 178.747 176.600 0.039 0.000 1.048 15 K CA 1.783 58.071 56.287 0.002 0.000 0.929 15 K CB -0.637 31.848 32.500 -0.025 0.000 0.713 15 K HN 0.449 nan 8.250 nan 0.000 0.439 16 M N 0.876 120.499 119.600 0.039 0.000 2.195 16 M HA -0.200 4.280 4.480 0.000 0.000 0.260 16 M C 2.059 178.380 176.300 0.035 0.000 1.066 16 M CA 1.268 56.599 55.300 0.052 0.000 1.089 16 M CB -0.055 32.571 32.600 0.043 0.000 1.377 16 M HN 0.074 nan 8.290 nan 0.000 0.411 17 L N 0.386 121.622 121.223 0.023 0.000 2.072 17 L HA -0.130 4.210 4.340 0.000 0.000 0.205 17 L C 2.205 179.086 176.870 0.018 0.000 1.079 17 L CA 1.799 56.649 54.840 0.018 0.000 0.752 17 L CB -0.658 41.408 42.059 0.012 0.000 0.906 17 L HN 0.223 nan 8.230 nan 0.000 0.436 18 R N -0.377 120.135 120.500 0.019 0.000 2.103 18 R HA -0.143 4.198 4.340 0.000 0.000 0.242 18 R C 2.228 178.541 176.300 0.022 0.000 1.142 18 R CA 1.336 57.447 56.100 0.019 0.000 0.960 18 R CB -1.286 29.025 30.300 0.020 0.000 0.858 18 R HN 0.564 nan 8.270 nan 0.000 0.439 19 G N 1.007 109.825 108.800 0.030 0.000 2.480 19 G HA2 -0.252 3.708 3.960 0.000 0.000 0.216 19 G HA3 -0.252 3.708 3.960 0.000 0.000 0.216 19 G C 1.542 176.454 174.900 0.020 0.000 1.200 19 G CA 1.179 46.296 45.100 0.028 0.000 0.782 19 G HN 0.147 nan 8.290 nan 0.000 0.554 20 V N 1.537 121.464 119.914 0.020 0.000 2.250 20 V HA -0.361 3.759 4.120 0.000 0.000 0.253 20 V C 2.493 178.595 176.094 0.013 0.000 1.065 20 V CA 2.437 64.747 62.300 0.016 0.000 1.039 20 V CB -1.054 30.779 31.823 0.017 0.000 0.647 20 V HN 0.479 nan 8.190 nan 0.000 0.446 21 N N -0.204 118.504 118.700 0.013 0.000 2.069 21 N HA -0.169 4.571 4.740 0.000 0.000 0.191 21 N C 1.759 177.274 175.510 0.008 0.000 1.031 21 N CA 1.488 54.544 53.050 0.010 0.000 0.852 21 N CB -0.280 38.213 38.487 0.010 0.000 1.018 21 N HN 0.328 nan 8.380 nan 0.000 0.423 22 V N 1.767 121.686 119.914 0.009 0.000 2.255 22 V HA -0.209 3.911 4.120 0.000 0.000 0.247 22 V C 2.220 178.316 176.094 0.004 0.000 1.051 22 V CA 1.297 63.601 62.300 0.006 0.000 1.018 22 V CB -0.657 31.169 31.823 0.006 0.000 0.641 22 V HN 0.388 nan 8.190 nan 0.000 0.445 23 L N 1.300 122.526 121.223 0.005 0.000 1.961 23 L HA -0.112 4.228 4.340 0.000 0.000 0.210 23 L C 2.546 179.418 176.870 0.003 0.000 1.072 23 L CA 2.890 57.731 54.840 0.003 0.000 0.749 23 L CB -1.796 40.265 42.059 0.003 0.000 0.889 23 L HN 0.278 nan 8.230 nan 0.000 0.432 24 A N -0.102 122.721 122.820 0.006 0.000 1.927 24 A HA -0.270 4.050 4.320 0.000 0.000 0.220 24 A C 1.865 179.452 177.584 0.005 0.000 1.185 24 A CA 2.156 54.197 52.037 0.007 0.000 0.639 24 A CB -0.949 18.057 19.000 0.009 0.000 0.820 24 A HN 0.629 nan 8.150 nan 0.000 0.451 25 D N -0.214 120.189 120.400 0.004 0.000 2.224 25 D HA 0.078 4.718 4.640 0.000 0.000 0.205 25 D C 2.024 178.324 176.300 0.001 0.000 0.965 25 D CA 1.239 55.240 54.000 0.003 0.000 0.852 25 D CB -0.382 40.419 40.800 0.002 0.000 0.947 25 D HN 0.470 nan 8.370 nan 0.000 0.494 26 A N 0.366 123.186 122.820 -0.001 0.000 2.014 26 A HA -0.049 4.271 4.320 0.000 0.000 0.218 26 A C 2.278 179.861 177.584 -0.002 0.000 1.163 26 A CA 0.674 52.709 52.037 -0.003 0.000 0.652 26 A CB -0.299 18.698 19.000 -0.005 0.000 0.808 26 A HN 0.154 nan 8.150 nan 0.000 0.449 27 V N 0.118 120.032 119.914 -0.000 0.000 2.591 27 V HA -0.163 3.957 4.120 0.000 0.000 0.249 27 V C 2.205 178.301 176.094 0.002 0.000 1.053 27 V CA 1.769 64.070 62.300 0.001 0.000 1.068 27 V CB -0.551 31.273 31.823 0.002 0.000 0.689 27 V HN 0.489 nan 8.190 nan 0.000 0.462 28 K N 0.816 121.219 120.400 0.004 0.000 2.209 28 K HA -0.113 4.207 4.320 0.000 0.000 0.204 28 K C 2.025 178.627 176.600 0.004 0.000 1.048 28 K CA 1.607 57.897 56.287 0.005 0.000 0.940 28 K CB -0.399 32.104 32.500 0.005 0.000 0.729 28 K HN 0.585 nan 8.250 nan 0.000 0.451 29 V N -0.315 119.600 119.914 0.002 0.000 2.867 29 V HA -0.135 3.985 4.120 0.000 0.000 0.260 29 V C 1.885 177.980 176.094 0.002 0.000 1.099 29 V CA 1.903 64.204 62.300 0.002 0.000 1.122 29 V CB -1.322 30.500 31.823 -0.001 0.000 0.708 29 V HN 0.314 nan 8.190 nan 0.000 0.490 30 T N -2.415 112.140 114.554 0.002 0.000 3.163 30 T HA 0.390 4.740 4.350 0.000 0.000 0.252 30 T C 0.190 174.893 174.700 0.005 0.000 1.056 30 T CA -0.277 61.825 62.100 0.003 0.000 0.947 30 T CB -0.012 68.857 68.868 0.001 0.000 1.016 30 T HN 0.309 nan 8.240 nan 0.000 0.554 31 L N 2.488 123.716 121.223 0.007 0.000 2.305 31 L HA 0.662 5.002 4.340 0.000 0.000 0.281 31 L C 0.740 177.617 176.870 0.012 0.000 1.085 31 L CA 1.237 56.083 54.840 0.010 0.000 0.813 31 L CB -0.001 42.066 42.059 0.013 0.000 1.157 31 L HN 0.632 nan 8.230 nan 0.000 0.436 32 G N 4.827 113.634 108.800 0.012 0.000 2.828 32 G HA2 -0.190 3.770 3.960 0.000 0.000 0.463 32 G HA3 -0.190 3.770 3.960 0.000 0.000 0.463 32 G C -2.050 172.853 174.900 0.005 0.000 1.394 32 G CA -0.273 44.833 45.100 0.011 0.000 0.862 32 G HN 0.593 nan 8.290 nan 0.000 0.540 33 P HA -0.049 nan 4.420 nan 0.000 0.217 33 P C 1.072 178.368 177.300 -0.006 0.000 1.150 33 P CA 1.522 64.617 63.100 -0.008 0.000 0.832 33 P CB 0.014 31.701 31.700 -0.022 0.000 0.787 34 K N 0.628 121.028 120.400 0.000 0.000 2.790 34 K HA 0.200 4.520 4.320 0.000 0.000 0.229 34 K C 1.152 177.755 176.600 0.005 0.000 1.040 34 K CA -0.328 55.961 56.287 0.003 0.000 1.211 34 K CB -0.374 32.132 32.500 0.009 0.000 1.002 34 K HN 0.119 nan 8.250 nan 0.000 0.479 35 G N 0.930 109.732 108.800 0.003 0.000 2.606 35 G HA2 0.171 4.131 3.960 0.000 0.000 0.252 35 G HA3 0.171 4.131 3.960 0.000 0.000 0.252 35 G C -0.185 174.716 174.900 0.001 0.000 1.206 35 G CA -0.433 44.669 45.100 0.003 0.000 0.861 35 G HN 0.254 nan 8.290 nan 0.000 0.561 36 R N -0.209 120.291 120.500 0.000 0.000 2.939 36 R HA 0.383 4.723 4.340 0.000 0.000 0.254 36 R C -0.637 175.661 176.300 -0.002 0.000 1.123 36 R CA -1.006 55.093 56.100 -0.001 0.000 1.020 36 R CB 1.364 31.663 30.300 -0.002 0.000 1.206 36 R HN 0.465 nan 8.270 nan 0.000 0.491 37 N N -0.321 118.376 118.700 -0.004 0.000 2.459 37 N HA 0.457 5.197 4.740 0.000 0.000 0.288 37 N C -0.983 174.522 175.510 -0.008 0.000 1.186 37 N CA -0.474 52.573 53.050 -0.006 0.000 0.917 37 N CB 1.944 40.427 38.487 -0.007 0.000 1.219 37 N HN 0.115 nan 8.380 nan 0.000 0.525 38 V N 0.530 120.437 119.914 -0.010 0.000 2.815 38 V HA 0.504 4.624 4.120 0.000 0.000 0.314 38 V C -0.135 175.947 176.094 -0.020 0.000 1.064 38 V CA -0.818 61.474 62.300 -0.014 0.000 0.952 38 V CB 2.179 33.994 31.823 -0.014 0.000 1.020 38 V HN 0.281 nan 8.190 nan 0.000 0.439 39 V N 4.434 124.333 119.914 -0.025 0.000 2.409 39 V HA 0.500 4.620 4.120 0.000 0.000 0.291 39 V C -0.471 175.596 176.094 -0.044 0.000 1.020 39 V CA -0.405 61.875 62.300 -0.034 0.000 0.848 39 V CB 1.442 33.245 31.823 -0.033 0.000 0.990 39 V HN 0.611 nan 8.190 nan 0.000 0.430 40 L N 3.884 125.072 121.223 -0.057 0.000 2.313 40 L HA 0.577 4.917 4.340 0.000 0.000 0.283 40 L C -0.029 176.768 176.870 -0.122 0.000 1.013 40 L CA -0.499 54.294 54.840 -0.078 0.000 0.816 40 L CB 1.610 43.627 42.059 -0.070 0.000 1.236 40 L HN 0.511 nan 8.230 nan 0.000 0.419 41 D N 2.800 123.116 120.400 -0.140 0.000 2.414 41 D HA 0.376 5.016 4.640 0.000 0.000 0.251 41 D C -0.698 175.410 176.300 -0.319 0.000 1.252 41 D CA -0.065 53.829 54.000 -0.177 0.000 0.999 41 D CB 0.949 41.669 40.800 -0.132 0.000 1.093 41 D HN 0.384 nan 8.370 nan 0.000 0.515 42 K N -0.375 119.776 120.400 -0.415 0.000 2.592 42 K HA 0.135 4.455 4.320 0.000 0.000 0.265 42 K C 0.665 176.939 176.600 -0.543 0.000 1.006 42 K CA -0.254 55.496 56.287 -0.894 0.000 0.907 42 K CB 1.204 33.043 32.500 -1.101 0.000 1.309 42 K HN 0.296 nan 8.250 nan 0.000 0.452 43 S N 2.847 118.360 115.700 -0.311 0.000 2.387 43 S HA -0.204 4.266 4.470 0.000 0.000 0.230 43 S C 1.614 176.356 174.600 0.235 0.000 1.035 43 S CA 1.131 59.374 58.200 0.071 0.000 1.014 43 S CB -0.653 62.669 63.200 0.204 0.000 0.836 43 S HN 0.499 nan 8.310 nan 0.000 0.466 44 F N 2.767 122.715 119.950 -0.004 0.000 2.397 44 F HA 0.047 4.574 4.527 0.000 0.000 0.308 44 F C 1.987 177.785 175.800 -0.003 0.000 1.335 44 F CA 0.516 58.514 58.000 -0.004 0.000 1.282 44 F CB -1.826 37.172 39.000 -0.004 0.000 0.881 44 F HN 0.482 nan 8.300 nan 0.000 0.606 45 G N -1.775 107.138 108.800 0.188 0.000 3.253 45 G HA2 0.599 4.559 3.960 0.000 0.000 0.175 45 G HA3 0.599 4.559 3.960 0.000 0.000 0.175 45 G C -0.911 173.995 174.900 0.010 0.000 1.098 45 G CA -0.177 44.971 45.100 0.081 0.000 0.790 45 G HN 0.609 nan 8.290 nan 0.000 0.648 46 A N 0.666 123.491 122.820 0.008 0.000 2.520 46 A HA 0.560 4.880 4.320 0.000 0.000 0.235 46 A C -1.776 175.777 177.584 -0.053 0.000 1.065 46 A CA -0.257 51.769 52.037 -0.019 0.000 0.764 46 A CB -0.589 18.407 19.000 -0.007 0.000 1.002 46 A HN 0.357 nan 8.150 nan 0.000 0.502 47 P HA 0.211 nan 4.420 nan 0.000 0.278 47 P C -0.092 177.171 177.300 -0.062 0.000 1.270 47 P CA 0.123 63.168 63.100 -0.091 0.000 0.800 47 P CB 0.381 32.037 31.700 -0.073 0.000 1.142 48 T N 0.493 115.009 114.554 -0.064 0.000 2.841 48 T HA 0.555 4.905 4.350 0.000 0.000 0.285 48 T C -0.347 174.334 174.700 -0.032 0.000 0.991 48 T CA -0.331 61.746 62.100 -0.038 0.000 0.966 48 T CB 0.131 68.974 68.868 -0.043 0.000 0.962 48 T HN 0.103 nan 8.240 nan 0.000 0.438 49 I N 3.002 123.561 120.570 -0.019 0.000 2.321 49 I HA 0.552 4.722 4.170 0.000 0.000 0.291 49 I C 0.499 176.610 176.117 -0.009 0.000 0.998 49 I CA -0.358 60.932 61.300 -0.015 0.000 1.227 49 I CB 1.731 39.724 38.000 -0.012 0.000 1.368 49 I HN 0.451 nan 8.210 nan 0.000 0.466 50 T N 4.267 118.815 114.554 -0.010 0.000 2.883 50 T HA 0.335 4.685 4.350 0.000 0.000 0.301 50 T C 0.017 174.715 174.700 -0.005 0.000 1.158 50 T CA -0.619 61.478 62.100 -0.005 0.000 1.007 50 T CB 1.819 70.684 68.868 -0.004 0.000 1.186 50 T HN 0.699 nan 8.240 nan 0.000 0.499 51 K N 1.115 121.514 120.400 -0.001 0.000 2.387 51 K HA 0.202 4.522 4.320 0.000 0.000 0.203 51 K C -0.479 176.121 176.600 0.000 0.000 1.030 51 K CA -0.125 56.161 56.287 -0.000 0.000 1.099 51 K CB 0.339 32.840 32.500 0.001 0.000 0.863 51 K HN 0.558 nan 8.250 nan 0.000 0.529 52 D N -0.758 119.641 120.400 -0.001 0.000 2.373 52 D HA 0.162 4.802 4.640 0.000 0.000 0.227 52 D C 1.103 177.400 176.300 -0.005 0.000 1.091 52 D CA -0.260 53.739 54.000 -0.002 0.000 0.840 52 D CB 1.483 42.282 40.800 -0.002 0.000 1.060 52 D HN 0.138 nan 8.370 nan 0.000 0.502 53 G N 2.561 111.359 108.800 -0.004 0.000 2.469 53 G HA2 -0.255 3.705 3.960 0.000 0.000 0.219 53 G HA3 -0.255 3.705 3.960 0.000 0.000 0.219 53 G C 1.479 176.374 174.900 -0.009 0.000 1.150 53 G CA 0.884 45.981 45.100 -0.004 0.000 0.763 53 G HN 0.515 nan 8.290 nan 0.000 0.561 54 V N 0.472 120.377 119.914 -0.014 0.000 2.759 54 V HA -0.100 4.020 4.120 0.000 0.000 0.256 54 V C 2.749 178.835 176.094 -0.014 0.000 1.080 54 V CA 2.635 64.924 62.300 -0.019 0.000 1.101 54 V CB -0.273 31.531 31.823 -0.032 0.000 0.698 54 V HN 0.316 nan 8.190 nan 0.000 0.477 55 S N -0.361 115.333 115.700 -0.010 0.000 2.371 55 S HA -0.112 4.358 4.470 0.000 0.000 0.224 55 S C 1.840 176.436 174.600 -0.007 0.000 1.029 55 S CA 1.544 59.741 58.200 -0.005 0.000 0.978 55 S CB -0.002 63.196 63.200 -0.002 0.000 0.833 55 S HN 0.509 nan 8.310 nan 0.000 0.466 56 V N 2.015 121.924 119.914 -0.009 0.000 2.307 56 V HA -0.162 3.958 4.120 0.000 0.000 0.245 56 V C 2.617 178.705 176.094 -0.009 0.000 1.045 56 V CA 1.654 63.948 62.300 -0.011 0.000 1.024 56 V CB -1.189 30.628 31.823 -0.009 0.000 0.651 56 V HN 0.512 nan 8.190 nan 0.000 0.449 57 A N 0.631 123.446 122.820 -0.008 0.000 1.841 57 A HA -0.243 4.077 4.320 0.000 0.000 0.216 57 A C 2.251 179.831 177.584 -0.008 0.000 1.199 57 A CA 1.905 53.938 52.037 -0.008 0.000 0.621 57 A CB -0.646 18.348 19.000 -0.009 0.000 0.835 57 A HN 0.485 nan 8.150 nan 0.000 0.445 58 R N -0.067 120.429 120.500 -0.007 0.000 2.267 58 R HA -0.186 4.154 4.340 0.000 0.000 0.259 58 R C 1.309 177.609 176.300 0.001 0.000 1.192 58 R CA 1.433 57.531 56.100 -0.003 0.000 1.013 58 R CB -0.652 29.649 30.300 0.002 0.000 0.877 58 R HN 0.585 nan 8.270 nan 0.000 0.474 59 E N 0.459 120.657 120.200 -0.003 0.000 2.371 59 E HA 0.043 4.393 4.350 0.000 0.000 0.194 59 E C 0.715 177.310 176.600 -0.009 0.000 1.012 59 E CA 0.221 56.616 56.400 -0.007 0.000 0.860 59 E CB 0.142 29.830 29.700 -0.020 0.000 0.811 59 E HN 0.192 nan 8.360 nan 0.000 0.502 60 I N 2.151 122.717 120.570 -0.008 0.000 2.396 60 I HA 0.155 4.325 4.170 0.000 0.000 0.289 60 I C 0.411 176.524 176.117 -0.006 0.000 1.056 60 I CA 0.098 61.393 61.300 -0.007 0.000 1.365 60 I CB 0.294 38.291 38.000 -0.005 0.000 1.407 60 I HN -0.045 nan 8.210 nan 0.000 0.509 61 E N 6.126 126.322 120.200 -0.007 0.000 2.308 61 E HA 0.552 4.902 4.350 0.000 0.000 0.275 61 E C -1.902 174.694 176.600 -0.007 0.000 0.890 61 E CA -0.664 55.732 56.400 -0.007 0.000 0.754 61 E CB 2.232 31.928 29.700 -0.008 0.000 1.207 61 E HN 0.250 nan 8.360 nan 0.000 0.426 62 L N 2.846 124.065 121.223 -0.007 0.000 2.303 62 L HA 0.331 4.671 4.340 0.000 0.000 0.266 62 L C 1.078 177.945 176.870 -0.006 0.000 1.011 62 L CA -0.132 54.706 54.840 -0.003 0.000 0.818 62 L CB 1.511 43.573 42.059 0.005 0.000 1.326 62 L HN 0.856 nan 8.230 nan 0.000 0.435 63 E N -0.339 119.861 120.200 -0.000 0.000 2.216 63 E HA -0.056 4.294 4.350 0.000 0.000 0.192 63 E C 0.126 176.726 176.600 -0.001 0.000 0.973 63 E CA 0.098 56.496 56.400 -0.003 0.000 0.851 63 E CB 0.214 29.914 29.700 -0.000 0.000 0.804 63 E HN 0.614 nan 8.360 nan 0.000 0.477 64 D N 1.205 121.616 120.400 0.017 0.000 2.382 64 D HA -0.046 4.594 4.640 0.000 0.000 0.259 64 D C 0.472 176.779 176.300 0.011 0.000 1.224 64 D CA 0.035 54.061 54.000 0.042 0.000 0.894 64 D CB 0.881 41.728 40.800 0.079 0.000 1.127 64 D HN 0.070 nan 8.370 nan 0.000 0.487 65 K N 3.431 123.792 120.400 -0.066 0.000 2.360 65 K HA -0.114 4.206 4.320 0.000 0.000 0.201 65 K C 1.490 177.935 176.600 -0.259 0.000 1.046 65 K CA 0.698 56.866 56.287 -0.198 0.000 0.945 65 K CB -0.029 32.270 32.500 -0.335 0.000 0.750 65 K HN 0.495 nan 8.250 nan 0.000 0.464 66 F N 1.175 121.113 119.950 -0.020 0.000 2.317 66 F HA 0.048 4.575 4.527 0.000 0.000 0.293 66 F C 2.290 178.081 175.800 -0.016 0.000 1.085 66 F CA 0.593 58.580 58.000 -0.022 0.000 1.390 66 F CB -0.107 38.878 39.000 -0.025 0.000 1.077 66 F HN 0.039 nan 8.300 nan 0.000 0.517 67 E N 0.126 120.422 120.200 0.160 0.000 2.072 67 E HA -0.227 4.123 4.350 0.000 0.000 0.191 67 E C 1.852 178.484 176.600 0.053 0.000 0.985 67 E CA 1.121 57.577 56.400 0.093 0.000 0.801 67 E CB -0.247 29.495 29.700 0.069 0.000 0.750 67 E HN 0.242 nan 8.360 nan 0.000 0.452 68 N N 0.834 119.549 118.700 0.025 0.000 2.036 68 N HA -0.213 4.527 4.740 0.000 0.000 0.195 68 N C 1.766 177.274 175.510 -0.003 0.000 1.037 68 N CA 1.629 54.677 53.050 -0.003 0.000 0.855 68 N CB -0.093 38.376 38.487 -0.030 0.000 1.033 68 N HN 0.066 nan 8.380 nan 0.000 0.423 69 M N -0.533 119.062 119.600 -0.008 0.000 2.108 69 M HA -0.154 4.326 4.480 0.000 0.000 0.257 69 M C 2.164 178.477 176.300 0.021 0.000 1.071 69 M CA 1.942 57.243 55.300 0.001 0.000 1.093 69 M CB -0.804 31.802 32.600 0.009 0.000 1.345 69 M HN 0.390 nan 8.290 nan 0.000 0.403 70 G N -0.379 108.445 108.800 0.040 0.000 2.476 70 G HA2 -0.212 3.748 3.960 0.000 0.000 0.218 70 G HA3 -0.212 3.748 3.960 0.000 0.000 0.218 70 G C 1.531 176.443 174.900 0.020 0.000 1.164 70 G CA 1.145 46.266 45.100 0.034 0.000 0.768 70 G HN 0.589 nan 8.290 nan 0.000 0.560 71 A N -0.754 122.075 122.820 0.015 0.000 2.016 71 A HA 0.104 4.424 4.320 0.000 0.000 0.217 71 A C 2.294 179.880 177.584 0.003 0.000 1.162 71 A CA 1.359 53.401 52.037 0.009 0.000 0.662 71 A CB -0.106 18.898 19.000 0.007 0.000 0.812 71 A HN 0.310 nan 8.150 nan 0.000 0.450 72 Q N -0.877 118.923 119.800 -0.000 0.000 2.432 72 Q HA 0.131 4.471 4.340 0.000 0.000 0.205 72 Q C 1.812 177.809 176.000 -0.005 0.000 0.945 72 Q CA 0.649 56.448 55.803 -0.006 0.000 0.924 72 Q CB -0.042 28.689 28.738 -0.013 0.000 1.016 72 Q HN 0.764 nan 8.270 nan 0.000 0.503 73 M N -0.388 119.213 119.600 0.002 0.000 2.257 73 M HA -0.080 4.400 4.480 0.000 0.000 0.260 73 M C 2.221 178.524 176.300 0.005 0.000 1.102 73 M CA 0.956 56.258 55.300 0.004 0.000 1.169 73 M CB -0.378 32.229 32.600 0.012 0.000 1.323 73 M HN -0.020 nan 8.290 nan 0.000 0.447 74 V N 0.005 119.924 119.914 0.009 0.000 2.453 74 V HA -0.272 3.848 4.120 0.000 0.000 0.252 74 V C 2.186 178.281 176.094 0.002 0.000 1.068 74 V CA 2.077 64.383 62.300 0.010 0.000 1.070 74 V CB -1.499 30.331 31.823 0.013 0.000 0.664 74 V HN 0.529 nan 8.190 nan 0.000 0.461 75 K N 0.741 121.139 120.400 -0.003 0.000 2.286 75 K HA -0.279 4.041 4.320 0.000 0.000 0.203 75 K C 2.121 178.707 176.600 -0.024 0.000 1.045 75 K CA 2.013 58.294 56.287 -0.011 0.000 0.935 75 K CB -0.178 32.315 32.500 -0.011 0.000 0.737 75 K HN 0.688 nan 8.250 nan 0.000 0.460 76 E N 0.460 120.644 120.200 -0.026 0.000 2.427 76 E HA -0.095 4.255 4.350 0.000 0.000 0.196 76 E C 1.781 178.339 176.600 -0.071 0.000 1.028 76 E CA 0.552 56.922 56.400 -0.049 0.000 0.864 76 E CB 0.256 29.930 29.700 -0.043 0.000 0.813 76 E HN 0.328 nan 8.360 nan 0.000 0.514 77 V N -0.771 119.126 119.914 -0.029 0.000 2.407 77 V HA -0.025 4.095 4.120 0.000 0.000 0.245 77 V C 2.150 178.226 176.094 -0.031 0.000 1.041 77 V CA 1.665 63.962 62.300 -0.006 0.000 1.040 77 V CB -0.205 31.648 31.823 0.049 0.000 0.671 77 V HN 0.234 nan 8.190 nan 0.000 0.455 78 A N 0.172 122.979 122.820 -0.022 0.000 1.972 78 A HA -0.159 4.161 4.320 0.000 0.000 0.219 78 A C 2.590 180.140 177.584 -0.056 0.000 1.169 78 A CA 2.304 54.327 52.037 -0.024 0.000 0.635 78 A CB -1.020 17.971 19.000 -0.014 0.000 0.810 78 A HN 0.743 nan 8.150 nan 0.000 0.446 79 S N -0.969 114.685 115.700 -0.077 0.000 2.371 79 S HA -0.130 4.340 4.470 0.000 0.000 0.224 79 S C 2.187 176.695 174.600 -0.155 0.000 1.029 79 S CA 1.497 59.640 58.200 -0.095 0.000 0.978 79 S CB -0.247 62.906 63.200 -0.079 0.000 0.833 79 S HN 0.418 nan 8.310 nan 0.000 0.466 80 K N 1.307 121.552 120.400 -0.258 0.000 2.007 80 K HA 0.135 4.455 4.320 0.000 0.000 0.206 80 K C 2.421 178.725 176.600 -0.494 0.000 1.047 80 K CA 1.183 57.169 56.287 -0.501 0.000 0.937 80 K CB -1.149 30.819 32.500 -0.886 0.000 0.718 80 K HN 0.396 nan 8.250 nan 0.000 0.438 81 A N 2.289 124.919 122.820 -0.316 0.000 1.954 81 A HA -0.285 4.035 4.320 0.000 0.000 0.222 81 A C 1.993 179.568 177.584 -0.015 0.000 1.199 81 A CA 2.416 54.468 52.037 0.025 0.000 0.657 81 A CB -0.855 18.194 19.000 0.083 0.000 0.823 81 A HN 0.576 nan 8.150 nan 0.000 0.463 82 N N -1.307 117.345 118.700 -0.079 0.000 2.333 82 N HA -0.121 4.619 4.740 0.000 0.000 0.178 82 N C 0.634 176.084 175.510 -0.099 0.000 1.018 82 N CA 1.120 54.118 53.050 -0.086 0.000 0.882 82 N CB -0.128 38.307 38.487 -0.086 0.000 0.984 82 N HN 0.368 nan 8.380 nan 0.000 0.434 83 D N 0.449 120.794 120.400 -0.093 0.000 2.317 83 D HA 0.038 4.678 4.640 0.000 0.000 0.211 83 D C 1.525 177.816 176.300 -0.015 0.000 0.966 83 D CA 0.348 54.312 54.000 -0.061 0.000 0.876 83 D CB 0.208 40.964 40.800 -0.074 0.000 0.927 83 D HN 0.393 nan 8.370 nan 0.000 0.519 84 A N 0.266 123.090 122.820 0.007 0.000 1.887 84 A HA 0.371 4.691 4.320 0.000 0.000 0.212 84 A C 1.795 179.435 177.584 0.093 0.000 1.198 84 A CA 1.250 53.346 52.037 0.100 0.000 0.628 84 A CB 0.242 19.400 19.000 0.263 0.000 0.847 84 A HN 0.153 nan 8.150 nan 0.000 0.449 85 A N -1.903 120.954 122.820 0.061 0.000 2.630 85 A HA 0.482 4.802 4.320 0.000 0.000 0.287 85 A C 1.322 178.898 177.584 -0.013 0.000 1.040 85 A CA 0.845 52.919 52.037 0.062 0.000 0.971 85 A CB -0.696 18.346 19.000 0.071 0.000 1.241 85 A HN 1.762 nan 8.150 nan 0.000 0.558 86 G N 0.176 108.869 108.800 -0.179 0.000 2.450 86 G HA2 -0.164 3.796 3.960 0.000 0.000 0.302 86 G HA3 -0.164 3.796 3.960 0.000 0.000 0.302 86 G C -0.123 174.683 174.900 -0.156 0.000 0.957 86 G CA 1.121 45.986 45.100 -0.392 0.000 1.005 86 G HN 0.711 nan 8.290 nan 0.000 0.514 87 D N -2.571 117.798 120.400 -0.051 0.000 2.742 87 D HA 0.486 5.126 4.640 0.000 0.000 0.262 87 D C 0.831 177.139 176.300 0.013 0.000 1.240 87 D CA 0.881 54.876 54.000 -0.008 0.000 0.752 87 D CB 0.482 41.295 40.800 0.022 0.000 1.290 87 D HN 1.220 nan 8.370 nan 0.000 0.420 88 G N 0.396 109.207 108.800 0.017 0.000 2.176 88 G HA2 -0.338 3.622 3.960 0.000 0.000 0.253 88 G HA3 -0.338 3.622 3.960 0.000 0.000 0.253 88 G C 1.105 176.023 174.900 0.030 0.000 0.979 88 G CA 1.742 46.858 45.100 0.027 0.000 0.641 88 G HN 0.979 nan 8.290 nan 0.000 0.530 89 T N -2.095 112.469 114.554 0.017 0.000 2.737 89 T HA -0.179 4.171 4.350 0.000 0.000 0.269 89 T C 2.194 176.903 174.700 0.015 0.000 1.040 89 T CA 2.772 64.880 62.100 0.013 0.000 1.142 89 T CB -0.754 68.109 68.868 -0.007 0.000 0.861 89 T HN 0.425 nan 8.240 nan 0.000 0.456 90 T N 1.594 116.156 114.554 0.012 0.000 2.770 90 T HA -0.058 4.292 4.350 0.000 0.000 0.263 90 T C 2.270 176.981 174.700 0.018 0.000 1.039 90 T CA 1.680 63.787 62.100 0.013 0.000 1.142 90 T CB -0.966 67.909 68.868 0.010 0.000 0.868 90 T HN 0.527 nan 8.240 nan 0.000 0.435 91 T N 2.405 116.972 114.554 0.022 0.000 2.597 91 T HA -0.189 4.161 4.350 0.000 0.000 0.267 91 T C 2.357 177.075 174.700 0.030 0.000 1.053 91 T CA 1.539 63.654 62.100 0.025 0.000 1.165 91 T CB -0.831 68.053 68.868 0.027 0.000 0.863 91 T HN 0.449 nan 8.240 nan 0.000 0.427 92 A N 1.274 124.119 122.820 0.041 0.000 1.870 92 A HA -0.263 4.057 4.320 0.000 0.000 0.219 92 A C 2.571 180.181 177.584 0.042 0.000 1.224 92 A CA 2.794 54.864 52.037 0.055 0.000 0.650 92 A CB -1.623 17.425 19.000 0.081 0.000 0.836 92 A HN 0.502 nan 8.150 nan 0.000 0.454 93 T N -0.472 114.101 114.554 0.031 0.000 2.653 93 T HA -0.176 4.174 4.350 0.000 0.000 0.268 93 T C 1.868 176.581 174.700 0.022 0.000 1.035 93 T CA 1.827 63.941 62.100 0.023 0.000 1.154 93 T CB -0.578 68.299 68.868 0.014 0.000 0.862 93 T HN 0.184 nan 8.240 nan 0.000 0.441 94 V N 1.185 121.111 119.914 0.020 0.000 2.332 94 V HA -0.137 3.983 4.120 0.000 0.000 0.248 94 V C 2.468 178.574 176.094 0.019 0.000 1.055 94 V CA 1.538 63.848 62.300 0.018 0.000 1.038 94 V CB -0.596 31.237 31.823 0.017 0.000 0.651 94 V HN 0.446 nan 8.190 nan 0.000 0.450 95 L N -0.361 120.876 121.223 0.023 0.000 2.141 95 L HA -0.119 4.221 4.340 0.000 0.000 0.209 95 L C 2.590 179.474 176.870 0.024 0.000 1.094 95 L CA 1.352 56.205 54.840 0.023 0.000 0.763 95 L CB -0.573 41.501 42.059 0.025 0.000 0.908 95 L HN 0.373 nan 8.230 nan 0.000 0.437 96 A N -0.029 122.808 122.820 0.028 0.000 1.898 96 A HA -0.229 4.091 4.320 0.000 0.000 0.214 96 A C 2.172 179.770 177.584 0.022 0.000 1.183 96 A CA 1.232 53.286 52.037 0.028 0.000 0.622 96 A CB -0.490 18.530 19.000 0.034 0.000 0.824 96 A HN 0.486 nan 8.150 nan 0.000 0.444 97 Q N 0.110 119.922 119.800 0.019 0.000 2.308 97 Q HA -0.071 4.269 4.340 0.000 0.000 0.209 97 Q C 1.665 177.674 176.000 0.014 0.000 0.985 97 Q CA 2.163 57.976 55.803 0.016 0.000 0.881 97 Q CB -0.391 28.356 28.738 0.014 0.000 0.917 97 Q HN 0.525 nan 8.270 nan 0.000 0.443 98 A N 0.636 123.465 122.820 0.015 0.000 1.862 98 A HA 0.072 4.392 4.320 0.000 0.000 0.211 98 A C 2.079 179.671 177.584 0.013 0.000 1.220 98 A CA 0.873 52.918 52.037 0.013 0.000 0.616 98 A CB -0.480 18.528 19.000 0.013 0.000 0.878 98 A HN 0.418 nan 8.150 nan 0.000 0.453 99 I N 0.208 120.787 120.570 0.015 0.000 2.208 99 I HA -0.301 3.869 4.170 0.000 0.000 0.245 99 I C 2.336 178.462 176.117 0.015 0.000 1.097 99 I CA 1.511 62.819 61.300 0.015 0.000 1.363 99 I CB -0.511 37.500 38.000 0.017 0.000 1.051 99 I HN 0.322 nan 8.210 nan 0.000 0.413 100 I N 0.306 120.885 120.570 0.016 0.000 2.142 100 I HA -0.293 3.877 4.170 0.000 0.000 0.240 100 I C 2.644 178.769 176.117 0.013 0.000 1.078 100 I CA 1.706 63.015 61.300 0.016 0.000 1.343 100 I CB -0.766 37.244 38.000 0.017 0.000 1.046 100 I HN 0.214 nan 8.210 nan 0.000 0.405 101 T N 0.183 114.744 114.554 0.012 0.000 2.607 101 T HA -0.211 4.139 4.350 0.000 0.000 0.267 101 T C 1.894 176.599 174.700 0.009 0.000 1.049 101 T CA 1.567 63.672 62.100 0.010 0.000 1.162 101 T CB -0.208 68.665 68.868 0.008 0.000 0.863 101 T HN 0.244 nan 8.240 nan 0.000 0.424 102 E N 0.443 120.648 120.200 0.009 0.000 2.072 102 E HA -0.012 4.338 4.350 0.000 0.000 0.191 102 E C 2.488 179.092 176.600 0.008 0.000 0.985 102 E CA 1.187 57.592 56.400 0.008 0.000 0.801 102 E CB -0.996 28.709 29.700 0.008 0.000 0.750 102 E HN 0.544 nan 8.360 nan 0.000 0.452 103 G N 1.165 109.971 108.800 0.010 0.000 2.459 103 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 103 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 103 G C 1.692 176.599 174.900 0.010 0.000 1.183 103 G CA 0.711 45.817 45.100 0.010 0.000 0.776 103 G HN 0.236 nan 8.290 nan 0.000 0.552 104 L N 0.169 121.399 121.223 0.011 0.000 2.187 104 L HA -0.091 4.249 4.340 0.000 0.000 0.213 104 L C 2.782 179.657 176.870 0.008 0.000 1.100 104 L CA 1.437 56.283 54.840 0.010 0.000 0.765 104 L CB -0.309 41.756 42.059 0.010 0.000 0.904 104 L HN 0.278 nan 8.230 nan 0.000 0.437 105 K N 0.374 120.778 120.400 0.007 0.000 2.217 105 K HA -0.089 4.231 4.320 0.000 0.000 0.202 105 K C 1.936 178.539 176.600 0.005 0.000 1.051 105 K CA 1.057 57.347 56.287 0.005 0.000 0.952 105 K CB 0.059 32.561 32.500 0.005 0.000 0.736 105 K HN 0.263 nan 8.250 nan 0.000 0.453 106 A N 0.084 122.908 122.820 0.006 0.000 2.178 106 A HA 0.064 4.385 4.320 0.000 0.000 0.211 106 A C 1.806 179.394 177.584 0.006 0.000 1.157 106 A CA 0.316 52.357 52.037 0.006 0.000 0.780 106 A CB 0.159 19.163 19.000 0.006 0.000 0.828 106 A HN 0.126 nan 8.150 nan 0.000 0.476 107 V N -0.492 119.427 119.914 0.007 0.000 2.535 107 V HA -0.095 4.025 4.120 0.000 0.000 0.246 107 V C 2.910 179.008 176.094 0.007 0.000 1.045 107 V CA 1.544 63.849 62.300 0.008 0.000 1.058 107 V CB -0.783 31.047 31.823 0.011 0.000 0.689 107 V HN 0.529 nan 8.190 nan 0.000 0.461 108 A N 0.277 123.101 122.820 0.005 0.000 2.070 108 A HA -0.034 4.287 4.320 0.000 0.000 0.220 108 A C 2.323 179.908 177.584 0.002 0.000 1.159 108 A CA 1.646 53.685 52.037 0.004 0.000 0.656 108 A CB -0.546 18.456 19.000 0.003 0.000 0.800 108 A HN 0.548 nan 8.150 nan 0.000 0.453 109 A N -1.557 121.264 122.820 0.003 0.000 2.070 109 A HA 0.323 4.643 4.320 0.000 0.000 0.220 109 A C 1.887 179.471 177.584 0.002 0.000 1.159 109 A CA 1.574 53.613 52.037 0.002 0.000 0.656 109 A CB -0.821 18.181 19.000 0.002 0.000 0.800 109 A HN 1.898 nan 8.150 nan 0.000 0.453 110 G N -2.304 106.498 108.800 0.002 0.000 2.138 110 G HA2 -0.189 3.771 3.960 0.000 0.000 0.193 110 G HA3 -0.189 3.771 3.960 0.000 0.000 0.193 110 G C 0.078 174.980 174.900 0.003 0.000 0.998 110 G CA 0.094 45.195 45.100 0.002 0.000 0.668 110 G HN 0.357 nan 8.290 nan 0.000 0.516 111 M N 0.619 120.222 119.600 0.004 0.000 2.243 111 M HA 0.228 4.708 4.480 0.000 0.000 0.341 111 M C 0.829 177.133 176.300 0.006 0.000 1.130 111 M CA -0.452 54.851 55.300 0.005 0.000 1.162 111 M CB 0.409 33.012 32.600 0.005 0.000 1.497 111 M HN 0.212 nan 8.290 nan 0.000 0.456 112 N N 3.669 122.372 118.700 0.006 0.000 2.406 112 N HA 0.115 4.855 4.740 0.000 0.000 0.265 112 N C -2.130 173.386 175.510 0.010 0.000 1.203 112 N CA -1.691 51.363 53.050 0.008 0.000 0.945 112 N CB 0.636 39.127 38.487 0.007 0.000 1.165 112 N HN 0.228 nan 8.380 nan 0.000 0.485 113 P HA -0.152 nan 4.420 nan 0.000 0.218 113 P C 1.599 178.908 177.300 0.014 0.000 1.148 113 P CA 1.041 64.149 63.100 0.014 0.000 0.822 113 P CB 0.139 31.850 31.700 0.017 0.000 0.784 114 M N -0.465 119.143 119.600 0.014 0.000 2.202 114 M HA -0.144 4.336 4.480 0.000 0.000 0.262 114 M C 1.196 177.502 176.300 0.011 0.000 1.063 114 M CA 1.654 56.962 55.300 0.013 0.000 1.097 114 M CB -1.413 31.195 32.600 0.013 0.000 1.382 114 M HN -0.046 nan 8.290 nan 0.000 0.413 115 D N -0.100 120.306 120.400 0.010 0.000 2.183 115 D HA -0.025 4.615 4.640 0.000 0.000 0.203 115 D C 2.185 178.490 176.300 0.008 0.000 0.969 115 D CA 0.687 54.691 54.000 0.008 0.000 0.842 115 D CB -0.028 40.776 40.800 0.007 0.000 0.957 115 D HN 0.325 nan 8.370 nan 0.000 0.484 116 L N 0.701 121.929 121.223 0.009 0.000 2.083 116 L HA -0.165 4.175 4.340 0.000 0.000 0.209 116 L C 2.470 179.346 176.870 0.010 0.000 1.083 116 L CA 1.071 55.916 54.840 0.009 0.000 0.752 116 L CB -0.228 41.837 42.059 0.010 0.000 0.899 116 L HN 0.012 nan 8.230 nan 0.000 0.433 117 K N 0.366 120.773 120.400 0.011 0.000 2.002 117 K HA -0.184 4.136 4.320 0.000 0.000 0.209 117 K C 2.250 178.856 176.600 0.010 0.000 1.048 117 K CA 1.200 57.494 56.287 0.012 0.000 0.930 117 K CB -0.034 32.475 32.500 0.014 0.000 0.714 117 K HN 0.160 nan 8.250 nan 0.000 0.438 118 R N -0.152 120.354 120.500 0.009 0.000 2.119 118 R HA -0.150 4.190 4.340 0.000 0.000 0.246 118 R C 2.465 178.768 176.300 0.006 0.000 1.146 118 R CA 1.585 57.690 56.100 0.007 0.000 0.962 118 R CB -0.727 29.577 30.300 0.007 0.000 0.863 118 R HN 0.458 nan 8.270 nan 0.000 0.442 119 G N 1.356 110.159 108.800 0.006 0.000 2.414 119 G HA2 -0.204 3.756 3.960 0.000 0.000 0.215 119 G HA3 -0.204 3.756 3.960 0.000 0.000 0.215 119 G C 1.516 176.418 174.900 0.004 0.000 1.188 119 G CA 0.476 45.579 45.100 0.005 0.000 0.783 119 G HN 0.140 nan 8.290 nan 0.000 0.537 120 I N 1.353 121.926 120.570 0.006 0.000 2.113 120 I HA -0.226 3.944 4.170 0.000 0.000 0.242 120 I C 2.365 178.484 176.117 0.004 0.000 1.064 120 I CA 1.676 62.980 61.300 0.006 0.000 1.320 120 I CB -0.129 37.877 38.000 0.009 0.000 1.028 120 I HN 0.096 nan 8.210 nan 0.000 0.406 121 D N 0.405 120.808 120.400 0.004 0.000 2.117 121 D HA -0.194 4.446 4.640 0.000 0.000 0.198 121 D C 2.050 178.349 176.300 -0.001 0.000 0.982 121 D CA 1.093 55.094 54.000 0.001 0.000 0.828 121 D CB -0.279 40.523 40.800 0.003 0.000 0.967 121 D HN 0.337 nan 8.370 nan 0.000 0.464 122 K N 1.218 121.618 120.400 0.000 0.000 2.020 122 K HA -0.188 4.132 4.320 0.000 0.000 0.212 122 K C 2.129 178.728 176.600 -0.002 0.000 1.050 122 K CA 1.620 57.907 56.287 -0.001 0.000 0.929 122 K CB -0.162 32.338 32.500 0.001 0.000 0.714 122 K HN -0.006 nan 8.250 nan 0.000 0.443 123 A N 0.677 123.497 122.820 -0.001 0.000 1.915 123 A HA -0.217 4.103 4.320 0.000 0.000 0.220 123 A C 2.303 179.885 177.584 -0.004 0.000 1.198 123 A CA 2.319 54.355 52.037 -0.001 0.000 0.647 123 A CB -0.981 18.020 19.000 0.001 0.000 0.825 123 A HN 0.247 nan 8.150 nan 0.000 0.456 124 V N -0.500 119.411 119.914 -0.006 0.000 2.453 124 V HA -0.178 3.942 4.120 0.000 0.000 0.247 124 V C 2.694 178.777 176.094 -0.018 0.000 1.048 124 V CA 2.304 64.596 62.300 -0.013 0.000 1.049 124 V CB -1.062 30.751 31.823 -0.017 0.000 0.672 124 V HN 0.672 nan 8.190 nan 0.000 0.457 125 T N 0.433 114.978 114.554 -0.015 0.000 2.833 125 T HA -0.134 4.216 4.350 0.000 0.000 0.269 125 T C 2.008 176.701 174.700 -0.013 0.000 1.054 125 T CA 1.428 63.519 62.100 -0.016 0.000 1.135 125 T CB -0.329 68.533 68.868 -0.011 0.000 0.869 125 T HN 0.554 nan 8.240 nan 0.000 0.466 126 A N 1.661 124.475 122.820 -0.009 0.000 1.854 126 A HA 0.284 4.604 4.320 0.000 0.000 0.214 126 A C 2.714 180.294 177.584 -0.007 0.000 1.192 126 A CA 1.577 53.610 52.037 -0.006 0.000 0.611 126 A CB -1.251 17.747 19.000 -0.004 0.000 0.832 126 A HN 0.489 nan 8.150 nan 0.000 0.442 127 A N -0.504 122.311 122.820 -0.008 0.000 1.940 127 A HA -0.038 4.282 4.320 0.000 0.000 0.219 127 A C 2.230 179.806 177.584 -0.012 0.000 1.176 127 A CA 1.877 53.909 52.037 -0.008 0.000 0.631 127 A CB -1.021 17.974 19.000 -0.008 0.000 0.814 127 A HN 0.399 nan 8.150 nan 0.000 0.446 128 V N -0.040 119.862 119.914 -0.019 0.000 2.287 128 V HA -0.253 3.867 4.120 0.000 0.000 0.248 128 V C 2.663 178.748 176.094 -0.016 0.000 1.053 128 V CA 2.378 64.664 62.300 -0.024 0.000 1.027 128 V CB -0.746 31.055 31.823 -0.035 0.000 0.646 128 V HN 0.505 nan 8.190 nan 0.000 0.447 129 E N -0.079 120.113 120.200 -0.012 0.000 2.038 129 E HA -0.191 4.159 4.350 0.000 0.000 0.195 129 E C 2.309 178.906 176.600 -0.005 0.000 1.000 129 E CA 1.156 57.551 56.400 -0.008 0.000 0.803 129 E CB -0.452 29.245 29.700 -0.006 0.000 0.750 129 E HN 0.506 nan 8.360 nan 0.000 0.448 130 E N 0.383 120.581 120.200 -0.003 0.000 2.065 130 E HA -0.205 4.145 4.350 0.000 0.000 0.201 130 E C 2.388 178.988 176.600 0.001 0.000 1.016 130 E CA 0.899 57.299 56.400 0.000 0.000 0.818 130 E CB -0.545 29.156 29.700 0.001 0.000 0.749 130 E HN 0.288 nan 8.360 nan 0.000 0.453 131 L N 0.658 121.880 121.223 -0.001 0.000 2.043 131 L HA -0.228 4.112 4.340 0.000 0.000 0.212 131 L C 2.454 179.323 176.870 -0.000 0.000 1.075 131 L CA 1.490 56.330 54.840 -0.000 0.000 0.752 131 L CB -0.388 41.668 42.059 -0.005 0.000 0.891 131 L HN 0.094 nan 8.230 nan 0.000 0.432 132 K N -0.181 120.217 120.400 -0.003 0.000 2.280 132 K HA -0.113 4.207 4.320 0.000 0.000 0.202 132 K C 2.139 178.740 176.600 0.001 0.000 1.047 132 K CA 1.118 57.404 56.287 -0.002 0.000 0.942 132 K CB -0.190 32.307 32.500 -0.004 0.000 0.739 132 K HN 0.318 nan 8.250 nan 0.000 0.457 133 A N 0.960 123.782 122.820 0.002 0.000 1.897 133 A HA -0.080 4.240 4.320 0.000 0.000 0.215 133 A C 1.979 179.566 177.584 0.006 0.000 1.181 133 A CA 0.994 53.033 52.037 0.004 0.000 0.620 133 A CB -0.240 18.762 19.000 0.004 0.000 0.821 133 A HN 0.107 nan 8.150 nan 0.000 0.443 134 L N -0.220 121.008 121.223 0.008 0.000 2.240 134 L HA 0.099 4.439 4.340 0.000 0.000 0.211 134 L C 1.484 178.361 176.870 0.012 0.000 1.106 134 L CA 0.788 55.635 54.840 0.011 0.000 0.793 134 L CB -0.474 41.594 42.059 0.014 0.000 0.927 134 L HN 0.243 nan 8.230 nan 0.000 0.446 135 S N -0.595 115.111 115.700 0.009 0.000 2.546 135 S HA 0.266 4.736 4.470 0.000 0.000 0.290 135 S C -0.273 174.333 174.600 0.009 0.000 1.290 135 S CA -0.312 57.894 58.200 0.009 0.000 1.069 135 S CB 0.138 63.342 63.200 0.007 0.000 0.846 135 S HN 0.119 nan 8.310 nan 0.000 0.495 136 V N 3.674 123.594 119.914 0.010 0.000 2.769 136 V HA 0.722 4.842 4.120 0.000 0.000 0.312 136 V C -2.805 173.294 176.094 0.009 0.000 1.061 136 V CA -2.866 59.439 62.300 0.009 0.000 0.931 136 V CB 1.138 32.967 31.823 0.011 0.000 1.010 136 V HN 0.600 nan 8.190 nan 0.000 0.433 137 P HA 0.214 nan 4.420 nan 0.000 0.268 137 P C -0.563 176.742 177.300 0.008 0.000 1.205 137 P CA -0.007 63.098 63.100 0.007 0.000 0.771 137 P CB 0.403 32.107 31.700 0.006 0.000 0.858 138 C N 3.073 122.378 119.300 0.008 0.000 2.291 138 C HA 0.631 5.091 4.460 0.000 0.000 0.322 138 C C 0.978 175.972 174.990 0.006 0.000 1.205 138 C CA 0.451 59.473 59.018 0.008 0.000 1.495 138 C CB -0.771 26.975 27.740 0.009 0.000 2.127 138 C HN 0.678 nan 8.230 nan 0.000 0.452 139 S N 1.873 117.576 115.700 0.005 0.000 2.700 139 S HA 0.191 4.661 4.470 0.000 0.000 0.272 139 S C -0.283 174.319 174.600 0.003 0.000 1.052 139 S CA 0.117 58.319 58.200 0.004 0.000 1.317 139 S CB -0.411 62.791 63.200 0.003 0.000 1.212 139 S HN 0.850 nan 8.310 nan 0.000 0.675 140 D N 1.444 121.846 120.400 0.003 0.000 2.383 140 D HA 0.512 5.152 4.640 0.000 0.000 0.248 140 D C 0.959 177.260 176.300 0.002 0.000 1.170 140 D CA -0.467 53.534 54.000 0.002 0.000 0.977 140 D CB 0.562 41.363 40.800 0.003 0.000 1.120 140 D HN -0.063 nan 8.370 nan 0.000 0.481 141 S N -0.940 114.760 115.700 0.001 0.000 2.423 141 S HA -0.145 4.325 4.470 0.000 0.000 0.231 141 S C 1.548 176.149 174.600 0.001 0.000 1.014 141 S CA 0.939 59.139 58.200 0.000 0.000 0.965 141 S CB -0.349 62.850 63.200 -0.000 0.000 0.785 141 S HN 0.599 nan 8.310 nan 0.000 0.495 142 K N 1.324 121.725 120.400 0.001 0.000 2.026 142 K HA -0.042 4.278 4.320 0.000 0.000 0.208 142 K C 2.146 178.748 176.600 0.002 0.000 1.048 142 K CA 1.281 57.568 56.287 0.001 0.000 0.929 142 K CB -0.371 32.130 32.500 0.002 0.000 0.713 142 K HN 0.272 nan 8.250 nan 0.000 0.439 143 A N 1.678 124.500 122.820 0.003 0.000 1.855 143 A HA -0.099 4.221 4.320 0.000 0.000 0.215 143 A C 2.126 179.713 177.584 0.005 0.000 1.191 143 A CA 1.433 53.472 52.037 0.005 0.000 0.613 143 A CB -0.651 18.353 19.000 0.006 0.000 0.829 143 A HN 0.361 nan 8.150 nan 0.000 0.442 144 I N -0.017 120.556 120.570 0.005 0.000 2.113 144 I HA -0.411 3.759 4.170 0.000 0.000 0.242 144 I C 2.987 179.107 176.117 0.004 0.000 1.057 144 I CA 1.620 62.923 61.300 0.005 0.000 1.314 144 I CB -0.635 37.366 38.000 0.003 0.000 1.022 144 I HN 0.405 nan 8.210 nan 0.000 0.408 145 A N -0.048 122.774 122.820 0.003 0.000 1.940 145 A HA -0.281 4.039 4.320 0.000 0.000 0.219 145 A C 2.193 179.778 177.584 0.002 0.000 1.176 145 A CA 1.857 53.895 52.037 0.002 0.000 0.631 145 A CB -0.639 18.361 19.000 0.000 0.000 0.814 145 A HN 0.547 nan 8.150 nan 0.000 0.446 146 Q N -0.801 119.000 119.800 0.002 0.000 2.172 146 Q HA -0.053 4.287 4.340 0.000 0.000 0.200 146 Q C 2.199 178.202 176.000 0.005 0.000 0.964 146 Q CA 1.430 57.234 55.803 0.002 0.000 0.855 146 Q CB -0.325 28.414 28.738 0.001 0.000 0.918 146 Q HN 0.722 nan 8.270 nan 0.000 0.444 147 V N -1.278 118.641 119.914 0.008 0.000 2.323 147 V HA -0.020 4.100 4.120 0.000 0.000 0.244 147 V C 1.939 178.041 176.094 0.014 0.000 1.041 147 V CA 2.116 64.424 62.300 0.012 0.000 1.025 147 V CB -1.193 30.639 31.823 0.016 0.000 0.656 147 V HN 0.328 nan 8.190 nan 0.000 0.451 148 G N 0.019 108.827 108.800 0.013 0.000 2.574 148 G HA2 -0.340 3.620 3.960 0.000 0.000 0.220 148 G HA3 -0.340 3.620 3.960 0.000 0.000 0.220 148 G C 1.631 176.538 174.900 0.011 0.000 1.173 148 G CA 1.992 47.101 45.100 0.014 0.000 0.772 148 G HN 0.519 nan 8.290 nan 0.000 0.585 149 T N 0.584 115.141 114.554 0.006 0.000 2.746 149 T HA -0.083 4.267 4.350 0.000 0.000 0.267 149 T C 2.329 177.030 174.700 0.003 0.000 1.039 149 T CA 1.165 63.266 62.100 0.003 0.000 1.142 149 T CB -0.124 68.743 68.868 -0.001 0.000 0.866 149 T HN 0.185 nan 8.240 nan 0.000 0.444 150 I N 0.465 121.038 120.570 0.004 0.000 2.500 150 I HA -0.048 4.122 4.170 0.000 0.000 0.252 150 I C 2.546 178.667 176.117 0.007 0.000 1.142 150 I CA 0.730 62.031 61.300 0.002 0.000 1.451 150 I CB -0.161 37.840 38.000 0.002 0.000 1.093 150 I HN 0.123 nan 8.210 nan 0.000 0.430 151 S N 0.452 116.160 115.700 0.014 0.000 2.383 151 S HA 0.005 4.475 4.470 0.000 0.000 0.227 151 S C 1.758 176.369 174.600 0.019 0.000 1.026 151 S CA 0.872 59.084 58.200 0.020 0.000 0.981 151 S CB -0.306 62.913 63.200 0.031 0.000 0.818 151 S HN 0.429 nan 8.310 nan 0.000 0.472 152 A N 1.507 124.337 122.820 0.016 0.000 3.019 152 A HA 0.348 4.668 4.320 0.000 0.000 0.262 152 A C 0.633 178.222 177.584 0.007 0.000 1.509 152 A CA 0.024 52.069 52.037 0.014 0.000 1.159 152 A CB -1.576 17.431 19.000 0.013 0.000 1.042 152 A HN 0.779 nan 8.150 nan 0.000 0.641 153 N N 0.338 119.042 118.700 0.005 0.000 2.701 153 N HA -0.264 4.476 4.740 0.000 0.000 0.250 153 N C -0.131 175.376 175.510 -0.004 0.000 1.046 153 N CA 0.566 53.617 53.050 0.000 0.000 0.733 153 N CB -0.603 37.884 38.487 0.001 0.000 0.973 153 N HN 0.550 nan 8.380 nan 0.000 0.541 154 S N -1.002 114.695 115.700 -0.005 0.000 3.807 154 S HA -0.151 4.319 4.470 0.000 0.000 0.304 154 S C -0.765 173.831 174.600 -0.008 0.000 1.152 154 S CA 0.526 58.720 58.200 -0.010 0.000 0.852 154 S CB -0.892 62.297 63.200 -0.017 0.000 0.924 154 S HN 0.604 nan 8.310 nan 0.000 0.545 155 D N 1.450 121.848 120.400 -0.003 0.000 2.467 155 D HA 0.279 4.919 4.640 0.000 0.000 0.220 155 D C 1.142 177.441 176.300 -0.002 0.000 1.103 155 D CA -0.344 53.655 54.000 -0.002 0.000 0.886 155 D CB 0.536 41.337 40.800 0.001 0.000 1.025 155 D HN 0.437 nan 8.370 nan 0.000 0.514 156 E N 0.880 121.077 120.200 -0.004 0.000 2.267 156 E HA -0.124 4.226 4.350 0.000 0.000 0.197 156 E C 1.144 177.742 176.600 -0.002 0.000 0.998 156 E CA 1.071 57.468 56.400 -0.004 0.000 0.830 156 E CB 0.370 30.066 29.700 -0.006 0.000 0.751 156 E HN 0.467 nan 8.360 nan 0.000 0.491 157 T N 0.054 114.607 114.554 -0.002 0.000 2.978 157 T HA -0.038 4.312 4.350 0.000 0.000 0.262 157 T C 2.133 176.834 174.700 0.000 0.000 1.063 157 T CA 0.472 62.572 62.100 -0.001 0.000 1.140 157 T CB 0.019 68.886 68.868 -0.001 0.000 0.886 157 T HN -0.021 nan 8.240 nan 0.000 0.470 158 V N 1.894 121.809 119.914 0.002 0.000 2.323 158 V HA -0.022 4.098 4.120 0.000 0.000 0.244 158 V C 2.964 179.060 176.094 0.003 0.000 1.041 158 V CA 1.881 64.183 62.300 0.004 0.000 1.025 158 V CB -1.526 30.301 31.823 0.007 0.000 0.656 158 V HN 0.553 nan 8.190 nan 0.000 0.451 159 G N -0.145 108.657 108.800 0.003 0.000 2.513 159 G HA2 -0.368 3.592 3.960 0.000 0.000 0.219 159 G HA3 -0.368 3.592 3.960 0.000 0.000 0.219 159 G C 1.673 176.573 174.900 0.001 0.000 1.160 159 G CA 1.376 46.478 45.100 0.002 0.000 0.767 159 G HN 0.462 nan 8.290 nan 0.000 0.571 160 K N -0.474 119.926 120.400 -0.000 0.000 2.097 160 K HA 0.042 4.362 4.320 0.000 0.000 0.205 160 K C 2.500 179.099 176.600 -0.001 0.000 1.050 160 K CA 0.744 57.030 56.287 -0.001 0.000 0.938 160 K CB -0.206 32.293 32.500 -0.002 0.000 0.718 160 K HN 0.265 nan 8.250 nan 0.000 0.442 161 L N 1.446 122.668 121.223 -0.001 0.000 2.056 161 L HA -0.076 4.264 4.340 0.000 0.000 0.207 161 L C 2.116 178.984 176.870 -0.003 0.000 1.078 161 L CA 1.257 56.096 54.840 -0.002 0.000 0.749 161 L CB -0.270 41.788 42.059 -0.001 0.000 0.901 161 L HN 0.171 nan 8.230 nan 0.000 0.433 162 I N -1.108 119.460 120.570 -0.003 0.000 2.142 162 I HA -0.338 3.832 4.170 0.000 0.000 0.240 162 I C 2.561 178.675 176.117 -0.005 0.000 1.078 162 I CA 1.287 62.584 61.300 -0.005 0.000 1.343 162 I CB -0.508 37.491 38.000 -0.003 0.000 1.046 162 I HN 0.270 nan 8.210 nan 0.000 0.405 163 A N 0.081 122.900 122.820 -0.003 0.000 1.892 163 A HA -0.279 4.041 4.320 0.000 0.000 0.218 163 A C 2.261 179.843 177.584 -0.003 0.000 1.188 163 A CA 1.936 53.972 52.037 -0.002 0.000 0.631 163 A CB -0.710 18.289 19.000 -0.001 0.000 0.822 163 A HN 0.452 nan 8.150 nan 0.000 0.447 164 E N -0.635 119.563 120.200 -0.003 0.000 2.077 164 E HA -0.157 4.193 4.350 0.000 0.000 0.193 164 E C 2.371 178.968 176.600 -0.005 0.000 0.989 164 E CA 1.000 57.398 56.400 -0.004 0.000 0.800 164 E CB -0.240 29.458 29.700 -0.003 0.000 0.746 164 E HN 0.621 nan 8.360 nan 0.000 0.452 165 A N 1.260 124.077 122.820 -0.006 0.000 1.855 165 A HA -0.173 4.147 4.320 0.000 0.000 0.215 165 A C 2.182 179.761 177.584 -0.009 0.000 1.191 165 A CA 1.250 53.282 52.037 -0.008 0.000 0.613 165 A CB -0.494 18.500 19.000 -0.010 0.000 0.829 165 A HN 0.152 nan 8.150 nan 0.000 0.442 166 M N -0.590 119.004 119.600 -0.010 0.000 2.146 166 M HA -0.246 4.234 4.480 0.000 0.000 0.256 166 M C 1.790 178.085 176.300 -0.007 0.000 1.075 166 M CA 2.259 57.553 55.300 -0.010 0.000 1.082 166 M CB -0.839 31.756 32.600 -0.008 0.000 1.355 166 M HN 0.538 nan 8.290 nan 0.000 0.402 167 D N 0.049 120.445 120.400 -0.006 0.000 2.149 167 D HA -0.087 4.553 4.640 0.000 0.000 0.201 167 D C 1.838 178.136 176.300 -0.005 0.000 0.972 167 D CA 1.306 55.303 54.000 -0.005 0.000 0.835 167 D CB 0.243 41.041 40.800 -0.004 0.000 0.966 167 D HN 0.221 nan 8.370 nan 0.000 0.476 168 K N -0.472 119.925 120.400 -0.005 0.000 2.067 168 K HA 0.017 4.337 4.320 0.000 0.000 0.203 168 K C 2.021 178.618 176.600 -0.005 0.000 1.048 168 K CA 0.999 57.283 56.287 -0.005 0.000 0.954 168 K CB 0.112 32.609 32.500 -0.004 0.000 0.737 168 K HN 0.121 nan 8.250 nan 0.000 0.444 169 V N -1.730 118.180 119.914 -0.006 0.000 3.217 169 V HA 0.200 4.320 4.120 0.000 0.000 0.264 169 V C 0.949 177.039 176.094 -0.007 0.000 1.135 169 V CA 0.578 62.874 62.300 -0.007 0.000 1.142 169 V CB -1.326 30.491 31.823 -0.009 0.000 0.754 169 V HN 0.414 nan 8.190 nan 0.000 0.484 170 G N 1.106 109.902 108.800 -0.007 0.000 2.593 170 G HA2 -0.267 3.693 3.960 0.000 0.000 0.237 170 G HA3 -0.267 3.693 3.960 0.000 0.000 0.237 170 G C 0.265 175.160 174.900 -0.008 0.000 1.312 170 G CA 0.308 45.404 45.100 -0.007 0.000 0.896 170 G HN 0.424 nan 8.290 nan 0.000 0.574 171 K N 0.601 120.997 120.400 -0.007 0.000 2.314 171 K HA 0.125 4.445 4.320 0.000 0.000 0.198 171 K C 1.212 177.807 176.600 -0.010 0.000 1.045 171 K CA 1.274 57.556 56.287 -0.008 0.000 0.988 171 K CB 0.240 32.736 32.500 -0.006 0.000 0.783 171 K HN 0.564 nan 8.250 nan 0.000 0.484 172 E N 1.104 121.298 120.200 -0.010 0.000 2.609 172 E HA 0.128 4.478 4.350 0.000 0.000 0.208 172 E C 0.005 176.597 176.600 -0.013 0.000 1.013 172 E CA -0.299 56.093 56.400 -0.012 0.000 1.093 172 E CB 1.172 30.865 29.700 -0.011 0.000 1.129 172 E HN 0.145 nan 8.360 nan 0.000 0.450 173 G N 0.859 109.651 108.800 -0.014 0.000 2.416 173 G HA2 0.442 4.403 3.960 0.000 0.000 0.329 173 G HA3 0.442 4.403 3.960 0.000 0.000 0.329 173 G C 0.073 174.962 174.900 -0.019 0.000 1.173 173 G CA -0.468 44.624 45.100 -0.014 0.000 0.929 173 G HN -0.000 nan 8.290 nan 0.000 0.475 174 V N 1.206 121.109 119.914 -0.019 0.000 2.785 174 V HA 0.533 4.653 4.120 0.000 0.000 0.300 174 V C 0.142 176.221 176.094 -0.024 0.000 1.062 174 V CA -0.550 61.735 62.300 -0.024 0.000 1.029 174 V CB 1.214 33.024 31.823 -0.022 0.000 1.024 174 V HN 0.569 nan 8.190 nan 0.000 0.477 175 I N 2.732 123.282 120.570 -0.034 0.000 2.499 175 I HA 0.570 4.740 4.170 0.000 0.000 0.288 175 I C -0.129 175.965 176.117 -0.037 0.000 1.048 175 I CA -0.163 61.118 61.300 -0.032 0.000 1.062 175 I CB 2.341 40.319 38.000 -0.037 0.000 1.238 175 I HN 0.841 nan 8.210 nan 0.000 0.426 176 T N 2.751 117.292 114.554 -0.023 0.000 2.907 176 T HA 0.688 5.038 4.350 0.000 0.000 0.292 176 T C -0.580 174.115 174.700 -0.008 0.000 1.043 176 T CA -0.889 61.202 62.100 -0.016 0.000 1.003 176 T CB 2.175 71.040 68.868 -0.005 0.000 1.084 176 T HN 0.393 nan 8.240 nan 0.000 0.483 177 V N 0.804 120.717 119.914 -0.001 0.000 2.513 177 V HA 0.904 5.024 4.120 0.000 0.000 0.299 177 V C -0.879 175.222 176.094 0.012 0.000 1.035 177 V CA -0.632 61.672 62.300 0.006 0.000 0.889 177 V CB 1.117 32.946 31.823 0.010 0.000 0.988 177 V HN 1.216 nan 8.190 nan 0.000 0.440 178 E N 2.626 122.832 120.200 0.010 0.000 2.445 178 E HA 0.480 4.830 4.350 0.000 0.000 0.279 178 E C -1.730 174.876 176.600 0.011 0.000 1.018 178 E CA -1.097 55.311 56.400 0.012 0.000 0.816 178 E CB 1.177 30.883 29.700 0.010 0.000 1.356 178 E HN 0.553 nan 8.360 nan 0.000 0.462 179 D N 0.666 121.073 120.400 0.011 0.000 2.472 179 D HA 0.264 4.904 4.640 0.000 0.000 0.237 179 D C 0.154 176.458 176.300 0.007 0.000 1.141 179 D CA 0.556 54.562 54.000 0.010 0.000 0.875 179 D CB 0.981 41.787 40.800 0.010 0.000 1.192 179 D HN 0.559 nan 8.370 nan 0.000 0.450 180 G N -0.244 108.560 108.800 0.006 0.000 2.488 180 G HA2 0.382 4.342 3.960 0.000 0.000 0.318 180 G HA3 0.382 4.342 3.960 0.000 0.000 0.318 180 G C 1.021 175.923 174.900 0.003 0.000 1.188 180 G CA -0.326 44.777 45.100 0.004 0.000 0.944 180 G HN 0.414 nan 8.290 nan 0.000 0.495 181 T N -1.168 113.387 114.554 0.002 0.000 2.852 181 T HA 0.207 4.557 4.350 0.000 0.000 0.256 181 T C 1.573 176.274 174.700 0.002 0.000 1.038 181 T CA 0.969 63.070 62.100 0.001 0.000 1.141 181 T CB -0.357 68.511 68.868 0.000 0.000 0.869 181 T HN 0.704 nan 8.240 nan 0.000 0.439 182 G N 0.502 109.303 108.800 0.001 0.000 2.630 182 G HA2 0.547 4.507 3.960 0.000 0.000 0.223 182 G HA3 0.547 4.507 3.960 0.000 0.000 0.223 182 G C 0.511 175.412 174.900 0.002 0.000 1.434 182 G CA -0.576 44.525 45.100 0.001 0.000 1.057 182 G HN 0.295 nan 8.290 nan 0.000 0.570 183 L N -0.545 120.679 121.223 0.001 0.000 2.408 183 L HA 0.159 4.499 4.340 0.000 0.000 0.215 183 L C 0.475 177.346 176.870 0.001 0.000 1.081 183 L CA 0.502 55.343 54.840 0.001 0.000 0.840 183 L CB -0.216 41.844 42.059 0.001 0.000 1.002 183 L HN 0.420 nan 8.230 nan 0.000 0.468 184 Q N 0.022 119.823 119.800 0.001 0.000 2.222 184 Q HA 0.277 4.617 4.340 0.000 0.000 0.252 184 Q C -0.704 175.297 176.000 0.001 0.000 0.926 184 Q CA -0.581 55.223 55.803 0.001 0.000 0.899 184 Q CB 0.582 29.320 28.738 -0.000 0.000 1.250 184 Q HN -0.048 nan 8.270 nan 0.000 0.441 185 D N 1.400 121.801 120.400 0.001 0.000 2.399 185 D HA 0.083 4.723 4.640 0.000 0.000 0.241 185 D C -0.408 175.892 176.300 0.000 0.000 1.133 185 D CA 0.214 54.215 54.000 0.001 0.000 0.890 185 D CB 0.794 41.595 40.800 0.002 0.000 1.201 185 D HN 0.627 nan 8.370 nan 0.000 0.432 186 E N 1.041 121.241 120.200 0.000 0.000 2.308 186 E HA 0.397 4.747 4.350 0.000 0.000 0.275 186 E C -1.826 174.773 176.600 -0.001 0.000 0.890 186 E CA -0.863 55.536 56.400 -0.001 0.000 0.754 186 E CB 1.624 31.324 29.700 -0.001 0.000 1.207 186 E HN 0.189 nan 8.360 nan 0.000 0.426 187 L N 4.009 125.231 121.223 -0.002 0.000 2.298 187 L HA 0.507 4.847 4.340 0.000 0.000 0.284 187 L C -1.473 175.395 176.870 -0.004 0.000 1.013 187 L CA -0.280 54.558 54.840 -0.003 0.000 0.824 187 L CB 1.338 43.395 42.059 -0.003 0.000 1.221 187 L HN 0.453 nan 8.230 nan 0.000 0.418 188 D N 4.101 124.499 120.400 -0.004 0.000 2.177 188 D HA 0.504 5.144 4.640 0.000 0.000 0.247 188 D C -0.880 175.417 176.300 -0.005 0.000 1.063 188 D CA 0.048 54.045 54.000 -0.004 0.000 0.867 188 D CB 2.390 43.187 40.800 -0.005 0.000 1.168 188 D HN 0.293 nan 8.370 nan 0.000 0.445 189 V N 2.658 122.569 119.914 -0.004 0.000 2.447 189 V HA 0.192 4.312 4.120 0.000 0.000 0.292 189 V C -0.141 175.951 176.094 -0.004 0.000 1.021 189 V CA -0.857 61.440 62.300 -0.004 0.000 0.850 189 V CB 1.895 33.715 31.823 -0.004 0.000 1.005 189 V HN 0.295 nan 8.190 nan 0.000 0.426 190 V N 3.862 123.775 119.914 -0.003 0.000 2.488 190 V HA 0.371 4.491 4.120 0.000 0.000 0.277 190 V C 0.356 176.451 176.094 0.001 0.000 1.046 190 V CA -0.675 61.624 62.300 -0.002 0.000 0.986 190 V CB 1.064 32.887 31.823 -0.001 0.000 0.989 190 V HN 0.734 nan 8.190 nan 0.000 0.475 191 E N 3.658 123.858 120.200 0.000 0.000 2.152 191 E HA 0.478 4.828 4.350 0.000 0.000 0.285 191 E C 0.890 177.493 176.600 0.006 0.000 1.043 191 E CA 0.963 57.364 56.400 0.001 0.000 0.839 191 E CB 1.208 30.908 29.700 -0.001 0.000 1.069 191 E HN 1.015 nan 8.360 nan 0.000 0.399 192 G N 3.659 112.463 108.800 0.008 0.000 2.527 192 G HA2 -0.335 3.625 3.960 0.000 0.000 0.268 192 G HA3 -0.335 3.625 3.960 0.000 0.000 0.268 192 G C 0.008 174.923 174.900 0.026 0.000 1.175 192 G CA 0.335 45.443 45.100 0.013 0.000 0.962 192 G HN 0.550 nan 8.290 nan 0.000 0.560 193 M N 1.255 120.878 119.600 0.039 0.000 2.209 193 M HA 0.710 5.190 4.480 0.000 0.000 0.355 193 M C -0.361 176.001 176.300 0.105 0.000 1.171 193 M CA -0.147 55.196 55.300 0.072 0.000 1.069 193 M CB 1.305 33.951 32.600 0.077 0.000 1.622 193 M HN 0.960 nan 8.290 nan 0.000 0.459 194 Q N 4.866 124.753 119.800 0.145 0.000 2.438 194 Q HA 0.489 4.829 4.340 0.000 0.000 0.272 194 Q C -2.216 173.912 176.000 0.213 0.000 0.994 194 Q CA -0.755 55.122 55.803 0.123 0.000 0.887 194 Q CB 1.547 30.287 28.738 0.004 0.000 1.432 194 Q HN 0.808 nan 8.270 nan 0.000 0.392 195 F N -0.265 119.678 119.950 -0.012 0.000 2.706 195 F HA 0.597 5.124 4.527 0.000 0.000 0.328 195 F C -0.534 175.257 175.800 -0.015 0.000 1.123 195 F CA -1.258 56.736 58.000 -0.010 0.000 0.978 195 F CB 0.693 39.690 39.000 -0.006 0.000 1.404 195 F HN 0.420 nan 8.300 nan 0.000 0.497 196 D N 0.393 120.880 120.400 0.145 0.000 2.870 196 D HA 0.213 4.853 4.640 0.000 0.000 0.241 196 D C -0.544 175.743 176.300 -0.022 0.000 1.234 196 D CA 0.086 54.099 54.000 0.021 0.000 0.844 196 D CB -0.151 40.688 40.800 0.065 0.000 1.051 196 D HN 0.111 nan 8.370 nan 0.000 0.469 197 R N 0.578 120.990 120.500 -0.147 0.000 2.513 197 R HA 0.586 4.926 4.340 0.000 0.000 0.301 197 R C 0.348 176.515 176.300 -0.221 0.000 0.968 197 R CA -0.768 55.265 56.100 -0.112 0.000 0.872 197 R CB 1.639 31.974 30.300 0.059 0.000 1.177 197 R HN 0.153 nan 8.270 nan 0.000 0.444 198 G N 1.592 110.262 108.800 -0.215 0.000 2.502 198 G HA2 0.373 4.333 3.960 0.000 0.000 0.305 198 G HA3 0.373 4.333 3.960 0.000 0.000 0.305 198 G C -0.493 174.253 174.900 -0.256 0.000 1.190 198 G CA -0.517 44.352 45.100 -0.385 0.000 0.933 198 G HN 0.464 nan 8.290 nan 0.000 0.503 199 Y N -1.079 119.235 120.300 0.024 0.000 2.757 199 Y HA 0.169 4.719 4.550 0.000 0.000 0.344 199 Y C 1.218 177.214 175.900 0.159 0.000 1.263 199 Y CA -0.706 57.456 58.100 0.103 0.000 1.493 199 Y CB 0.308 38.888 38.460 0.199 0.000 1.342 199 Y HN 0.204 nan 8.280 nan 0.000 0.627 200 L N 1.466 122.973 121.223 0.475 0.000 2.446 200 L HA 0.088 4.428 4.340 0.000 0.000 0.219 200 L C 0.480 177.574 176.870 0.373 0.000 1.116 200 L CA 0.825 55.883 54.840 0.364 0.000 0.844 200 L CB -0.082 42.156 42.059 0.299 0.000 0.970 200 L HN 0.837 nan 8.230 nan 0.000 0.457 201 S N -2.437 113.539 115.700 0.459 0.000 2.575 201 S HA 0.405 4.875 4.470 0.000 0.000 0.278 201 S C -2.422 172.165 174.600 -0.022 0.000 1.139 201 S CA -1.241 57.059 58.200 0.166 0.000 0.954 201 S CB 1.821 65.019 63.200 -0.003 0.000 1.054 201 S HN -0.242 nan 8.310 nan 0.000 0.483 202 P HA 0.017 nan 4.420 nan 0.000 0.236 202 P C 0.151 177.102 177.300 -0.580 0.000 1.172 202 P CA 0.671 63.358 63.100 -0.688 0.000 0.759 202 P CB -0.328 31.114 31.700 -0.429 0.000 0.843 203 Y N -2.641 117.449 120.300 -0.349 0.000 2.420 203 Y HA 0.008 4.558 4.550 0.000 0.000 0.292 203 Y C 1.858 177.594 175.900 -0.274 0.000 1.119 203 Y CA 0.654 58.566 58.100 -0.312 0.000 1.229 203 Y CB -0.993 37.261 38.460 -0.344 0.000 1.026 203 Y HN -0.096 nan 8.280 nan 0.000 0.554 204 F N 0.258 120.188 119.950 -0.034 0.000 2.269 204 F HA -0.123 4.404 4.527 0.000 0.000 0.301 204 F C 0.980 176.737 175.800 -0.072 0.000 1.082 204 F CA 0.178 58.160 58.000 -0.030 0.000 1.360 204 F CB -0.929 38.067 39.000 -0.008 0.000 1.041 204 F HN -0.151 nan 8.300 nan 0.000 0.512 205 I N 2.530 123.090 120.570 -0.016 0.000 2.792 205 I HA -0.173 3.998 4.170 0.000 0.000 0.284 205 I C 0.922 177.037 176.117 -0.002 0.000 1.166 205 I CA 0.251 61.515 61.300 -0.060 0.000 1.375 205 I CB -0.115 37.768 38.000 -0.195 0.000 1.421 205 I HN 0.191 nan 8.210 nan 0.000 0.544 206 N N 5.788 124.507 118.700 0.031 0.000 2.336 206 N HA -0.006 4.734 4.740 0.000 0.000 0.189 206 N C -0.050 175.471 175.510 0.017 0.000 1.113 206 N CA 0.223 53.291 53.050 0.030 0.000 0.858 206 N CB 0.390 38.904 38.487 0.043 0.000 0.970 206 N HN 0.426 nan 8.380 nan 0.000 0.471 207 K N 0.837 121.244 120.400 0.012 0.000 2.701 207 K HA 0.217 4.537 4.320 0.000 0.000 0.212 207 K C -2.245 174.357 176.600 0.003 0.000 1.035 207 K CA -1.485 54.808 56.287 0.009 0.000 1.048 207 K CB 2.438 34.947 32.500 0.015 0.000 1.234 207 K HN -0.010 nan 8.250 nan 0.000 0.540 208 P HA -0.160 nan 4.420 nan 0.000 0.222 208 P C 0.359 177.658 177.300 -0.002 0.000 1.147 208 P CA 1.196 64.289 63.100 -0.013 0.000 0.790 208 P CB 0.464 32.153 31.700 -0.019 0.000 0.780 209 E N -0.037 120.164 120.200 0.002 0.000 2.110 209 E HA -0.116 4.234 4.350 0.000 0.000 0.193 209 E C 1.861 178.466 176.600 0.009 0.000 0.988 209 E CA 1.741 58.143 56.400 0.004 0.000 0.804 209 E CB -1.532 28.170 29.700 0.004 0.000 0.745 209 E HN 0.271 nan 8.360 nan 0.000 0.458 210 T N -1.027 113.535 114.554 0.014 0.000 3.014 210 T HA 0.166 4.516 4.350 0.000 0.000 0.263 210 T C 1.478 176.198 174.700 0.033 0.000 1.078 210 T CA 0.654 62.767 62.100 0.020 0.000 1.135 210 T CB -0.049 68.832 68.868 0.023 0.000 0.895 210 T HN 0.425 nan 8.240 nan 0.000 0.480 211 G N 1.422 110.242 108.800 0.034 0.000 2.160 211 G HA2 0.049 4.009 3.960 0.000 0.000 0.244 211 G HA3 0.049 4.009 3.960 0.000 0.000 0.244 211 G C 0.041 175.013 174.900 0.121 0.000 1.022 211 G CA 0.007 45.140 45.100 0.055 0.000 0.741 211 G HN 0.973 nan 8.290 nan 0.000 0.508 212 A N -1.367 121.509 122.820 0.094 0.000 2.515 212 A HA 0.910 5.230 4.320 0.000 0.000 0.296 212 A C -0.258 177.381 177.584 0.092 0.000 1.094 212 A CA -0.170 51.952 52.037 0.140 0.000 0.718 212 A CB 1.957 21.014 19.000 0.094 0.000 1.307 212 A HN 1.285 nan 8.150 nan 0.000 0.408 213 V N 0.902 120.889 119.914 0.122 0.000 2.539 213 V HA 0.610 4.730 4.120 0.000 0.000 0.292 213 V C 0.104 176.227 176.094 0.048 0.000 1.045 213 V CA -0.327 62.023 62.300 0.083 0.000 0.945 213 V CB 1.344 33.234 31.823 0.113 0.000 0.993 213 V HN 0.910 nan 8.190 nan 0.000 0.464 214 E N 4.089 124.310 120.200 0.034 0.000 2.274 214 E HA 0.639 4.989 4.350 0.000 0.000 0.269 214 E C -1.920 174.690 176.600 0.017 0.000 0.891 214 E CA -0.568 55.844 56.400 0.019 0.000 0.784 214 E CB 1.682 31.392 29.700 0.016 0.000 1.225 214 E HN 0.672 nan 8.360 nan 0.000 0.412 215 L N 2.396 123.624 121.223 0.008 0.000 2.388 215 L HA 0.612 4.952 4.340 0.000 0.000 0.264 215 L C -0.626 176.242 176.870 -0.004 0.000 0.998 215 L CA -1.027 53.817 54.840 0.007 0.000 0.817 215 L CB 2.156 44.221 42.059 0.009 0.000 1.338 215 L HN 0.457 nan 8.230 nan 0.000 0.414 216 E N 0.358 120.553 120.200 -0.007 0.000 2.222 216 E HA 0.454 4.804 4.350 0.000 0.000 0.267 216 E C -0.436 176.141 176.600 -0.038 0.000 0.884 216 E CA -0.857 55.531 56.400 -0.020 0.000 0.764 216 E CB 1.844 31.536 29.700 -0.014 0.000 1.169 216 E HN 0.614 nan 8.360 nan 0.000 0.413 217 S N 1.001 116.663 115.700 -0.064 0.000 3.581 217 S HA -0.123 4.347 4.470 0.000 0.000 0.354 217 S C -2.256 172.240 174.600 -0.174 0.000 1.059 217 S CA 0.484 58.613 58.200 -0.119 0.000 1.060 217 S CB -1.546 61.588 63.200 -0.111 0.000 0.908 217 S HN 0.485 nan 8.310 nan 0.000 0.475 218 P HA 0.492 nan 4.420 nan 0.000 0.282 218 P C 0.147 177.369 177.300 -0.130 0.000 1.249 218 P CA -0.580 62.477 63.100 -0.071 0.000 0.806 218 P CB 0.401 32.098 31.700 -0.005 0.000 0.984 219 F N 1.584 121.536 119.950 0.004 0.000 2.450 219 F HA 0.283 4.810 4.527 0.000 0.000 0.339 219 F C 1.080 176.882 175.800 0.003 0.000 1.146 219 F CA 0.334 58.337 58.000 0.004 0.000 1.267 219 F CB 0.252 39.255 39.000 0.004 0.000 1.178 219 F HN 0.089 nan 8.300 nan 0.000 0.585 220 I N 3.646 124.344 120.570 0.212 0.000 2.447 220 I HA 0.239 4.409 4.170 0.000 0.000 0.287 220 I C -1.267 174.911 176.117 0.101 0.000 1.023 220 I CA -0.828 60.543 61.300 0.118 0.000 1.083 220 I CB 1.756 39.802 38.000 0.076 0.000 1.245 220 I HN 0.251 nan 8.210 nan 0.000 0.434 221 L N 8.140 129.406 121.223 0.071 0.000 2.255 221 L HA 0.491 4.831 4.340 0.000 0.000 0.289 221 L C -0.876 176.015 176.870 0.034 0.000 1.046 221 L CA -0.077 54.791 54.840 0.046 0.000 0.816 221 L CB 0.617 42.695 42.059 0.031 0.000 1.197 221 L HN 0.452 nan 8.230 nan 0.000 0.427 222 L N 6.153 127.391 121.223 0.026 0.000 2.262 222 L HA 0.688 5.028 4.340 0.000 0.000 0.288 222 L C 0.020 176.895 176.870 0.009 0.000 1.035 222 L CA -0.529 54.319 54.840 0.013 0.000 0.820 222 L CB 1.185 43.246 42.059 0.003 0.000 1.204 222 L HN 0.771 nan 8.230 nan 0.000 0.424 223 A N 1.956 124.782 122.820 0.010 0.000 2.285 223 A HA 0.326 4.646 4.320 0.000 0.000 0.310 223 A C -0.398 177.191 177.584 0.008 0.000 1.266 223 A CA -0.533 51.511 52.037 0.010 0.000 0.832 223 A CB 0.725 19.735 19.000 0.017 0.000 1.163 223 A HN 0.699 nan 8.150 nan 0.000 0.499 224 D N 2.831 123.232 120.400 0.002 0.000 2.688 224 D HA 0.346 4.986 4.640 0.000 0.000 0.228 224 D C -0.045 176.260 176.300 0.008 0.000 1.116 224 D CA 0.357 54.357 54.000 0.001 0.000 1.023 224 D CB -0.606 40.190 40.800 -0.008 0.000 1.100 224 D HN 0.604 nan 8.370 nan 0.000 0.487 225 K N -0.338 120.071 120.400 0.015 0.000 2.740 225 K HA 0.197 4.517 4.320 0.000 0.000 0.279 225 K C -1.049 175.567 176.600 0.027 0.000 1.038 225 K CA -1.142 55.157 56.287 0.020 0.000 0.887 225 K CB 0.582 33.091 32.500 0.016 0.000 1.411 225 K HN -0.180 nan 8.250 nan 0.000 0.381 226 K N 1.732 122.150 120.400 0.030 0.000 2.414 226 K HA 0.185 4.505 4.320 0.000 0.000 0.272 226 K C -0.258 176.362 176.600 0.033 0.000 0.993 226 K CA 0.079 56.387 56.287 0.035 0.000 0.964 226 K CB 0.310 32.831 32.500 0.035 0.000 0.925 226 K HN 0.409 nan 8.250 nan 0.000 0.487 227 I N 2.271 122.865 120.570 0.040 0.000 2.420 227 I HA 0.033 4.203 4.170 0.000 0.000 0.282 227 I C 0.284 176.425 176.117 0.041 0.000 1.019 227 I CA -0.067 61.256 61.300 0.039 0.000 1.130 227 I CB 1.741 39.768 38.000 0.044 0.000 1.262 227 I HN 0.664 nan 8.210 nan 0.000 0.454 228 S N 3.514 119.233 115.700 0.033 0.000 2.591 228 S HA 0.192 4.662 4.470 0.000 0.000 0.235 228 S C 0.733 175.350 174.600 0.027 0.000 1.074 228 S CA -0.011 58.208 58.200 0.031 0.000 0.925 228 S CB 0.250 63.465 63.200 0.026 0.000 0.818 228 S HN 0.573 nan 8.310 nan 0.000 0.535 229 N N 2.045 120.759 118.700 0.023 0.000 2.434 229 N HA 0.270 5.010 4.740 0.000 0.000 0.272 229 N C 0.415 175.937 175.510 0.021 0.000 1.040 229 N CA -0.078 52.984 53.050 0.019 0.000 0.956 229 N CB 1.440 39.935 38.487 0.014 0.000 1.108 229 N HN 0.143 nan 8.380 nan 0.000 0.481 230 I N 3.233 123.815 120.570 0.020 0.000 2.546 230 I HA -0.198 3.972 4.170 0.000 0.000 0.255 230 I C 1.829 177.954 176.117 0.014 0.000 1.163 230 I CA 0.831 62.144 61.300 0.020 0.000 1.457 230 I CB 0.178 38.190 38.000 0.020 0.000 1.092 230 I HN 0.459 nan 8.210 nan 0.000 0.434 231 R N 0.945 121.452 120.500 0.010 0.000 2.113 231 R HA -0.243 4.097 4.340 0.000 0.000 0.244 231 R C 1.751 178.054 176.300 0.005 0.000 1.142 231 R CA 1.941 58.045 56.100 0.006 0.000 0.953 231 R CB -0.866 29.437 30.300 0.005 0.000 0.860 231 R HN 0.498 nan 8.270 nan 0.000 0.438 232 E N 0.230 120.435 120.200 0.008 0.000 2.331 232 E HA -0.141 4.209 4.350 0.000 0.000 0.199 232 E C 1.847 178.450 176.600 0.005 0.000 1.008 232 E CA 0.855 57.259 56.400 0.007 0.000 0.843 232 E CB -0.011 29.695 29.700 0.010 0.000 0.761 232 E HN 0.335 nan 8.360 nan 0.000 0.507 233 M N -0.177 119.427 119.600 0.007 0.000 2.429 233 M HA 0.051 4.531 4.480 0.000 0.000 0.265 233 M C 2.270 178.569 176.300 -0.002 0.000 1.120 233 M CA 0.644 55.948 55.300 0.006 0.000 1.173 233 M CB -0.643 31.967 32.600 0.017 0.000 1.343 233 M HN 0.121 nan 8.290 nan 0.000 0.464 234 L N 1.006 122.228 121.223 -0.000 0.000 2.030 234 L HA -0.256 4.084 4.340 0.000 0.000 0.222 234 L C -0.400 176.462 176.870 -0.013 0.000 1.082 234 L CA 2.062 56.899 54.840 -0.004 0.000 0.785 234 L CB -2.418 39.639 42.059 -0.003 0.000 0.895 234 L HN 0.173 nan 8.230 nan 0.000 0.439 235 P HA -0.150 nan 4.420 nan 0.000 0.217 235 P C 1.727 179.006 177.300 -0.036 0.000 1.148 235 P CA 1.532 64.618 63.100 -0.023 0.000 0.828 235 P CB 0.035 31.723 31.700 -0.020 0.000 0.783 236 V N 0.137 120.028 119.914 -0.038 0.000 2.341 236 V HA -0.118 4.002 4.120 0.000 0.000 0.240 236 V C 2.793 178.848 176.094 -0.064 0.000 1.035 236 V CA 1.033 63.298 62.300 -0.059 0.000 1.033 236 V CB -1.327 30.468 31.823 -0.047 0.000 0.678 236 V HN -0.048 nan 8.190 nan 0.000 0.464 237 L N 0.236 121.438 121.223 -0.035 0.000 2.197 237 L HA -0.257 4.083 4.340 0.000 0.000 0.215 237 L C 2.499 179.352 176.870 -0.028 0.000 1.095 237 L CA 1.787 56.614 54.840 -0.022 0.000 0.764 237 L CB -0.618 41.441 42.059 0.001 0.000 0.897 237 L HN 0.506 nan 8.230 nan 0.000 0.436 238 E N -0.352 119.828 120.200 -0.033 0.000 2.216 238 E HA -0.021 4.329 4.350 0.000 0.000 0.192 238 E C 2.332 178.904 176.600 -0.046 0.000 0.973 238 E CA 0.752 57.135 56.400 -0.029 0.000 0.851 238 E CB -0.032 29.655 29.700 -0.022 0.000 0.804 238 E HN 0.459 nan 8.360 nan 0.000 0.477 239 A N 1.454 124.232 122.820 -0.070 0.000 1.972 239 A HA -0.124 4.196 4.320 0.000 0.000 0.219 239 A C 2.455 179.954 177.584 -0.141 0.000 1.169 239 A CA 1.081 53.057 52.037 -0.100 0.000 0.635 239 A CB -0.500 18.427 19.000 -0.123 0.000 0.810 239 A HN 0.104 nan 8.150 nan 0.000 0.446 240 V N -0.498 119.324 119.914 -0.152 0.000 2.488 240 V HA -0.121 3.999 4.120 0.000 0.000 0.246 240 V C 2.917 178.995 176.094 -0.027 0.000 1.046 240 V CA 1.494 63.706 62.300 -0.146 0.000 1.053 240 V CB -1.257 30.494 31.823 -0.120 0.000 0.679 240 V HN 0.555 nan 8.190 nan 0.000 0.458 241 A N -0.436 122.375 122.820 -0.016 0.000 2.019 241 A HA -0.197 4.123 4.320 0.000 0.000 0.219 241 A C 2.341 179.931 177.584 0.011 0.000 1.164 241 A CA 1.713 53.755 52.037 0.008 0.000 0.644 241 A CB -0.377 18.625 19.000 0.005 0.000 0.805 241 A HN 0.485 nan 8.150 nan 0.000 0.449 242 K N -0.807 119.591 120.400 -0.003 0.000 2.167 242 K HA 0.096 4.416 4.320 0.000 0.000 0.203 242 K C 1.999 178.611 176.600 0.021 0.000 1.052 242 K CA 0.840 57.129 56.287 0.003 0.000 0.956 242 K CB -0.113 32.381 32.500 -0.011 0.000 0.735 242 K HN 0.422 nan 8.250 nan 0.000 0.451 243 A N 0.250 123.089 122.820 0.031 0.000 2.169 243 A HA 0.122 4.442 4.320 0.000 0.000 0.212 243 A C 1.297 178.949 177.584 0.114 0.000 1.153 243 A CA 0.970 53.060 52.037 0.089 0.000 0.756 243 A CB -0.297 18.792 19.000 0.149 0.000 0.813 243 A HN 0.415 nan 8.150 nan 0.000 0.471 244 G N -0.655 108.198 108.800 0.088 0.000 2.179 244 G HA2 -0.278 3.682 3.960 0.000 0.000 0.257 244 G HA3 -0.278 3.682 3.960 0.000 0.000 0.257 244 G C 0.128 175.086 174.900 0.097 0.000 1.010 244 G CA 0.861 46.007 45.100 0.077 0.000 0.736 244 G HN 0.602 nan 8.290 nan 0.000 0.513 245 K N 0.641 121.135 120.400 0.158 0.000 2.208 245 K HA 0.562 4.882 4.320 0.000 0.000 0.247 245 K C -2.073 174.627 176.600 0.167 0.000 0.953 245 K CA -2.023 54.361 56.287 0.161 0.000 0.837 245 K CB 2.264 34.892 32.500 0.214 0.000 1.131 245 K HN 0.045 nan 8.250 nan 0.000 0.431 246 P HA 0.143 nan 4.420 nan 0.000 0.275 246 P C -1.235 176.147 177.300 0.138 0.000 1.266 246 P CA -0.500 62.660 63.100 0.100 0.000 0.793 246 P CB 0.622 32.357 31.700 0.058 0.000 1.074 247 L N 0.558 121.840 121.223 0.098 0.000 2.464 247 L HA 0.503 4.843 4.340 0.000 0.000 0.266 247 L C -1.520 175.370 176.870 0.034 0.000 0.965 247 L CA -0.973 53.930 54.840 0.105 0.000 0.833 247 L CB 1.685 43.805 42.059 0.101 0.000 1.296 247 L HN 0.139 nan 8.230 nan 0.000 0.405 248 L N 5.674 126.919 121.223 0.038 0.000 2.325 248 L HA 0.653 4.993 4.340 0.000 0.000 0.279 248 L C -1.053 175.821 176.870 0.007 0.000 1.054 248 L CA -0.149 54.688 54.840 -0.005 0.000 0.804 248 L CB 1.276 43.344 42.059 0.016 0.000 1.200 248 L HN 0.477 nan 8.230 nan 0.000 0.436 249 I N 6.986 127.539 120.570 -0.029 0.000 2.390 249 I HA 0.309 4.479 4.170 0.000 0.000 0.283 249 I C -0.485 175.646 176.117 0.022 0.000 1.016 249 I CA -0.238 61.062 61.300 0.000 0.000 1.151 249 I CB 1.026 39.022 38.000 -0.007 0.000 1.293 249 I HN 0.528 nan 8.210 nan 0.000 0.458 250 I N 5.723 126.322 120.570 0.047 0.000 2.337 250 I HA 0.549 4.719 4.170 0.000 0.000 0.285 250 I C 0.481 176.623 176.117 0.041 0.000 1.041 250 I CA -0.046 61.295 61.300 0.069 0.000 1.199 250 I CB 1.287 39.341 38.000 0.090 0.000 1.370 250 I HN 0.643 nan 8.210 nan 0.000 0.470 251 A N 4.316 127.165 122.820 0.047 0.000 2.347 251 A HA 0.460 4.780 4.320 0.000 0.000 0.301 251 A C 1.030 178.639 177.584 0.043 0.000 1.163 251 A CA -0.527 51.532 52.037 0.037 0.000 0.860 251 A CB 1.020 20.044 19.000 0.040 0.000 1.367 251 A HN 0.714 nan 8.150 nan 0.000 0.461 252 E N -0.751 119.471 120.200 0.037 0.000 2.160 252 E HA -0.154 4.196 4.350 0.000 0.000 0.195 252 E C -0.309 176.325 176.600 0.056 0.000 0.991 252 E CA 1.760 58.186 56.400 0.044 0.000 0.810 252 E CB 0.116 29.839 29.700 0.039 0.000 0.742 252 E HN 0.627 nan 8.360 nan 0.000 0.466 253 D N -2.335 118.098 120.400 0.056 0.000 2.783 253 D HA 0.135 4.775 4.640 0.000 0.000 0.253 253 D C -1.999 174.342 176.300 0.067 0.000 1.206 253 D CA -0.518 53.521 54.000 0.065 0.000 0.740 253 D CB 1.709 42.544 40.800 0.059 0.000 1.313 253 D HN -0.132 nan 8.370 nan 0.000 0.427 254 V N 2.592 122.556 119.914 0.083 0.000 2.380 254 V HA 0.438 4.558 4.120 0.000 0.000 0.286 254 V C 0.254 176.404 176.094 0.094 0.000 1.015 254 V CA -0.598 61.758 62.300 0.093 0.000 0.834 254 V CB 1.282 33.178 31.823 0.120 0.000 1.009 254 V HN 0.452 nan 8.190 nan 0.000 0.428 255 E N 2.515 122.759 120.200 0.073 0.000 2.790 255 E HA 0.462 4.812 4.350 0.000 0.000 0.256 255 E C 1.455 178.091 176.600 0.060 0.000 1.246 255 E CA -0.042 56.395 56.400 0.062 0.000 1.041 255 E CB 0.710 30.438 29.700 0.047 0.000 1.272 255 E HN 0.622 nan 8.360 nan 0.000 0.603 256 G N 0.764 109.592 108.800 0.046 0.000 2.863 256 G HA2 -0.375 3.585 3.960 0.000 0.000 0.217 256 G HA3 -0.375 3.585 3.960 0.000 0.000 0.217 256 G C 1.260 176.179 174.900 0.032 0.000 1.315 256 G CA 1.114 46.236 45.100 0.037 0.000 0.796 256 G HN 0.527 nan 8.290 nan 0.000 0.669 257 E N 0.787 121.002 120.200 0.026 0.000 2.035 257 E HA -0.223 4.127 4.350 0.000 0.000 0.204 257 E C 2.993 179.609 176.600 0.025 0.000 1.025 257 E CA 1.635 58.047 56.400 0.020 0.000 0.835 257 E CB -0.682 29.029 29.700 0.018 0.000 0.764 257 E HN 0.301 nan 8.360 nan 0.000 0.457 258 A N 1.257 124.099 122.820 0.036 0.000 1.841 258 A HA -0.214 4.106 4.320 0.000 0.000 0.216 258 A C 2.314 179.936 177.584 0.064 0.000 1.199 258 A CA 1.809 53.874 52.037 0.047 0.000 0.621 258 A CB -1.080 17.952 19.000 0.054 0.000 0.835 258 A HN 0.330 nan 8.150 nan 0.000 0.445 259 L N -0.152 121.121 121.223 0.082 0.000 1.963 259 L HA -0.230 4.110 4.340 0.000 0.000 0.220 259 L C 2.790 179.691 176.870 0.052 0.000 1.076 259 L CA 2.688 57.595 54.840 0.113 0.000 0.772 259 L CB -1.216 40.917 42.059 0.123 0.000 0.892 259 L HN 0.467 nan 8.230 nan 0.000 0.435 260 A N -1.764 121.066 122.820 0.017 0.000 1.894 260 A HA -0.369 3.951 4.320 0.000 0.000 0.220 260 A C 2.300 179.856 177.584 -0.047 0.000 1.237 260 A CA 3.227 55.245 52.037 -0.032 0.000 0.660 260 A CB -1.559 17.427 19.000 -0.023 0.000 0.835 260 A HN 0.594 nan 8.150 nan 0.000 0.461 261 T N 0.046 114.592 114.554 -0.013 0.000 2.746 261 T HA -0.088 4.262 4.350 0.000 0.000 0.267 261 T C 1.829 176.530 174.700 0.002 0.000 1.039 261 T CA 1.369 63.462 62.100 -0.012 0.000 1.142 261 T CB -0.379 68.491 68.868 0.004 0.000 0.866 261 T HN 0.359 nan 8.240 nan 0.000 0.444 262 L N 0.747 121.998 121.223 0.046 0.000 2.012 262 L HA -0.141 4.199 4.340 0.000 0.000 0.210 262 L C 2.630 179.536 176.870 0.060 0.000 1.073 262 L CA 1.151 56.057 54.840 0.110 0.000 0.748 262 L CB -0.565 41.634 42.059 0.234 0.000 0.891 262 L HN 0.172 nan 8.230 nan 0.000 0.431 263 V N -0.765 119.104 119.914 -0.075 0.000 2.287 263 V HA -0.266 3.854 4.120 0.000 0.000 0.248 263 V C 2.384 178.350 176.094 -0.212 0.000 1.053 263 V CA 1.688 63.819 62.300 -0.282 0.000 1.027 263 V CB -0.397 31.215 31.823 -0.352 0.000 0.646 263 V HN 0.252 nan 8.190 nan 0.000 0.447 264 V N 0.660 120.482 119.914 -0.154 0.000 2.407 264 V HA -0.271 3.849 4.120 0.000 0.000 0.248 264 V C 2.010 178.062 176.094 -0.071 0.000 1.055 264 V CA 2.361 64.585 62.300 -0.127 0.000 1.049 264 V CB -1.125 30.640 31.823 -0.096 0.000 0.662 264 V HN 0.643 nan 8.190 nan 0.000 0.455 265 N N 0.527 119.209 118.700 -0.030 0.000 2.171 265 N HA -0.137 4.603 4.740 0.000 0.000 0.184 265 N C 1.993 177.516 175.510 0.021 0.000 1.021 265 N CA 1.640 54.692 53.050 0.003 0.000 0.854 265 N CB -0.191 38.312 38.487 0.027 0.000 0.994 265 N HN 0.675 nan 8.380 nan 0.000 0.426 266 T N -0.443 114.137 114.554 0.044 0.000 2.857 266 T HA -0.068 4.282 4.350 0.000 0.000 0.266 266 T C 1.934 176.652 174.700 0.030 0.000 1.048 266 T CA 0.578 62.725 62.100 0.078 0.000 1.139 266 T CB -0.215 68.763 68.868 0.184 0.000 0.874 266 T HN -0.026 nan 8.240 nan 0.000 0.455 267 M N 1.522 121.106 119.600 -0.025 0.000 2.082 267 M HA -0.003 4.477 4.480 0.000 0.000 0.258 267 M C 2.308 178.594 176.300 -0.024 0.000 1.071 267 M CA 1.679 56.951 55.300 -0.046 0.000 1.103 267 M CB -0.407 32.123 32.600 -0.116 0.000 1.307 267 M HN 0.054 nan 8.290 nan 0.000 0.409 268 R N -0.303 120.180 120.500 -0.027 0.000 2.369 268 R HA 0.080 4.420 4.340 0.000 0.000 0.200 268 R C 0.759 177.058 176.300 -0.003 0.000 1.046 268 R CA 0.624 56.714 56.100 -0.018 0.000 1.057 268 R CB -0.731 29.556 30.300 -0.022 0.000 0.888 268 R HN 0.755 nan 8.270 nan 0.000 0.474 269 G N 0.962 109.767 108.800 0.008 0.000 2.176 269 G HA2 -0.274 3.686 3.960 0.000 0.000 0.252 269 G HA3 -0.274 3.686 3.960 0.000 0.000 0.252 269 G C 0.626 175.537 174.900 0.019 0.000 1.024 269 G CA 0.272 45.382 45.100 0.017 0.000 0.755 269 G HN 0.325 nan 8.290 nan 0.000 0.507 270 I N -1.121 119.461 120.570 0.020 0.000 2.130 270 I HA 0.085 4.255 4.170 0.000 0.000 0.234 270 I C 1.053 177.187 176.117 0.029 0.000 1.067 270 I CA 1.280 62.592 61.300 0.020 0.000 1.339 270 I CB -0.175 37.834 38.000 0.016 0.000 1.073 270 I HN 0.081 nan 8.210 nan 0.000 0.405 271 V N 0.718 120.656 119.914 0.041 0.000 2.686 271 V HA 0.264 4.384 4.120 0.000 0.000 0.306 271 V C -0.632 175.504 176.094 0.071 0.000 1.065 271 V CA -1.061 61.270 62.300 0.052 0.000 0.894 271 V CB 1.697 33.548 31.823 0.047 0.000 1.004 271 V HN 0.098 nan 8.190 nan 0.000 0.424 272 K N 2.962 123.405 120.400 0.072 0.000 2.363 272 K HA 0.534 4.854 4.320 0.000 0.000 0.289 272 K C -0.649 176.004 176.600 0.087 0.000 1.063 272 K CA 0.314 56.651 56.287 0.083 0.000 0.967 272 K CB 0.550 33.090 32.500 0.067 0.000 0.987 272 K HN 0.535 nan 8.250 nan 0.000 0.473 273 V N 1.334 121.318 119.914 0.117 0.000 3.078 273 V HA 0.879 4.999 4.120 0.000 0.000 0.311 273 V C -0.838 175.225 176.094 -0.051 0.000 1.138 273 V CA -1.123 61.217 62.300 0.067 0.000 1.007 273 V CB 2.134 34.019 31.823 0.102 0.000 1.045 273 V HN 0.742 nan 8.190 nan 0.000 0.432 274 A N 1.339 123.937 122.820 -0.370 0.000 2.587 274 A HA 1.051 5.371 4.320 0.000 0.000 0.293 274 A C -0.922 176.184 177.584 -0.797 0.000 1.087 274 A CA -0.137 51.283 52.037 -1.028 0.000 0.692 274 A CB 2.014 20.717 19.000 -0.496 0.000 1.291 274 A HN 2.005 nan 8.150 nan 0.000 0.407 275 A N 0.004 122.244 122.820 -0.967 0.000 2.549 275 A HA 0.878 5.198 4.320 0.000 0.000 0.297 275 A C -0.924 176.605 177.584 -0.092 0.000 1.061 275 A CA -0.065 51.783 52.037 -0.314 0.000 0.690 275 A CB 1.502 20.436 19.000 -0.110 0.000 1.287 275 A HN 2.331 nan 8.150 nan 0.000 0.402 276 V N -0.965 118.955 119.914 0.010 0.000 2.924 276 V HA 0.509 4.629 4.120 0.000 0.000 0.300 276 V C -0.505 175.656 176.094 0.113 0.000 1.227 276 V CA -1.265 61.072 62.300 0.061 0.000 0.954 276 V CB 1.042 32.885 31.823 0.032 0.000 1.055 276 V HN 0.948 nan 8.190 nan 0.000 0.429 277 K N 1.879 122.348 120.400 0.116 0.000 2.344 277 K HA 0.568 4.888 4.320 0.000 0.000 0.260 277 K C 0.677 177.380 176.600 0.172 0.000 0.988 277 K CA 0.534 56.895 56.287 0.123 0.000 0.909 277 K CB 0.642 33.203 32.500 0.101 0.000 0.968 277 K HN 1.163 nan 8.250 nan 0.000 0.505 278 A N 2.992 125.877 122.820 0.108 0.000 2.366 278 A HA 0.270 4.591 4.320 0.000 0.000 0.249 278 A C -2.159 175.459 177.584 0.056 0.000 1.084 278 A CA -1.203 50.862 52.037 0.047 0.000 0.794 278 A CB -0.232 18.772 19.000 0.007 0.000 1.034 278 A HN 0.454 nan 8.150 nan 0.000 0.491 279 P HA 0.387 nan 4.420 nan 0.000 0.276 279 P C 0.696 178.011 177.300 0.026 0.000 1.230 279 P CA 1.400 64.483 63.100 -0.029 0.000 0.776 279 P CB 0.622 32.141 31.700 -0.302 0.000 0.888 280 G N 2.757 111.623 108.800 0.109 0.000 2.682 280 G HA2 -0.132 3.828 3.960 0.000 0.000 0.256 280 G HA3 -0.132 3.828 3.960 0.000 0.000 0.256 280 G C -0.535 174.523 174.900 0.264 0.000 1.333 280 G CA 0.258 45.468 45.100 0.184 0.000 0.904 280 G HN 0.692 nan 8.290 nan 0.000 0.569 281 F N -2.364 117.598 119.950 0.019 0.000 2.922 281 F HA 0.856 5.383 4.527 0.000 0.000 0.345 281 F C 1.315 177.125 175.800 0.017 0.000 1.209 281 F CA 0.203 58.213 58.000 0.018 0.000 1.018 281 F CB 0.531 39.545 39.000 0.023 0.000 1.472 281 F HN 2.385 nan 8.300 nan 0.000 0.521 282 G N 0.813 109.442 108.800 -0.285 0.000 2.611 282 G HA2 -0.308 3.652 3.960 0.000 0.000 0.301 282 G HA3 -0.308 3.652 3.960 0.000 0.000 0.301 282 G C 0.435 175.204 174.900 -0.219 0.000 1.233 282 G CA 0.759 45.623 45.100 -0.394 0.000 0.993 282 G HN 0.861 nan 8.290 nan 0.000 0.553 283 D N 0.963 121.227 120.400 -0.227 0.000 2.183 283 D HA -0.021 4.619 4.640 0.000 0.000 0.205 283 D C 2.632 178.863 176.300 -0.113 0.000 0.962 283 D CA 1.212 55.133 54.000 -0.131 0.000 0.849 283 D CB -0.031 40.704 40.800 -0.108 0.000 0.978 283 D HN 0.620 nan 8.370 nan 0.000 0.488 284 R N 1.413 121.830 120.500 -0.137 0.000 2.120 284 R HA -0.038 4.302 4.340 0.000 0.000 0.234 284 R C 2.296 178.542 176.300 -0.089 0.000 1.123 284 R CA 0.560 56.596 56.100 -0.106 0.000 0.975 284 R CB -0.469 29.766 30.300 -0.108 0.000 0.866 284 R HN 0.049 nan 8.270 nan 0.000 0.446 285 R N 2.114 122.564 120.500 -0.083 0.000 2.143 285 R HA -0.225 4.115 4.340 0.000 0.000 0.239 285 R C 1.742 178.001 176.300 -0.068 0.000 1.126 285 R CA 2.415 58.479 56.100 -0.059 0.000 0.927 285 R CB -0.173 30.114 30.300 -0.023 0.000 0.860 285 R HN 0.283 nan 8.270 nan 0.000 0.433 286 K N -0.181 120.185 120.400 -0.057 0.000 2.063 286 K HA -0.134 4.186 4.320 0.000 0.000 0.208 286 K C 2.209 178.775 176.600 -0.056 0.000 1.048 286 K CA 1.553 57.810 56.287 -0.050 0.000 0.928 286 K CB -0.251 32.226 32.500 -0.040 0.000 0.713 286 K HN 0.318 nan 8.250 nan 0.000 0.442 287 A N 1.365 124.149 122.820 -0.061 0.000 1.902 287 A HA -0.131 4.189 4.320 0.000 0.000 0.217 287 A C 2.137 179.678 177.584 -0.071 0.000 1.181 287 A CA 1.393 53.394 52.037 -0.060 0.000 0.623 287 A CB -0.397 18.567 19.000 -0.060 0.000 0.818 287 A HN 0.230 nan 8.150 nan 0.000 0.443 288 M N -1.099 118.448 119.600 -0.088 0.000 2.288 288 M HA 0.052 4.532 4.480 0.000 0.000 0.266 288 M C 2.074 178.288 176.300 -0.143 0.000 1.072 288 M CA 0.967 56.199 55.300 -0.113 0.000 1.132 288 M CB -0.137 32.386 32.600 -0.128 0.000 1.386 288 M HN 0.482 nan 8.290 nan 0.000 0.432 289 L N 0.053 121.198 121.223 -0.131 0.000 2.083 289 L HA -0.263 4.077 4.340 0.000 0.000 0.209 289 L C 2.463 179.279 176.870 -0.089 0.000 1.083 289 L CA 1.337 56.100 54.840 -0.128 0.000 0.752 289 L CB -0.280 41.724 42.059 -0.092 0.000 0.899 289 L HN 0.327 nan 8.230 nan 0.000 0.433 290 Q N 0.264 120.023 119.800 -0.069 0.000 2.096 290 Q HA -0.252 4.088 4.340 0.000 0.000 0.204 290 Q C 1.641 177.610 176.000 -0.051 0.000 0.982 290 Q CA 2.111 57.884 55.803 -0.050 0.000 0.850 290 Q CB -0.238 28.474 28.738 -0.043 0.000 0.901 290 Q HN 0.445 nan 8.270 nan 0.000 0.422 291 D N -0.090 120.271 120.400 -0.065 0.000 2.106 291 D HA -0.194 4.446 4.640 0.000 0.000 0.191 291 D C 1.921 178.189 176.300 -0.054 0.000 0.997 291 D CA 1.767 55.731 54.000 -0.059 0.000 0.834 291 D CB -0.367 40.389 40.800 -0.073 0.000 0.956 291 D HN 0.405 nan 8.370 nan 0.000 0.448 292 I N 1.188 121.711 120.570 -0.078 0.000 2.208 292 I HA -0.290 3.880 4.170 0.000 0.000 0.245 292 I C 2.524 178.625 176.117 -0.028 0.000 1.097 292 I CA 1.076 62.340 61.300 -0.061 0.000 1.363 292 I CB -0.354 37.580 38.000 -0.109 0.000 1.051 292 I HN -0.069 nan 8.210 nan 0.000 0.413 293 A N 0.969 123.771 122.820 -0.030 0.000 1.859 293 A HA -0.262 4.058 4.320 0.000 0.000 0.217 293 A C 2.428 180.008 177.584 -0.007 0.000 1.198 293 A CA 2.881 54.911 52.037 -0.012 0.000 0.629 293 A CB -1.353 17.639 19.000 -0.014 0.000 0.830 293 A HN 0.411 nan 8.150 nan 0.000 0.446 294 T N 0.458 115.004 114.554 -0.014 0.000 2.635 294 T HA -0.170 4.180 4.350 0.000 0.000 0.267 294 T C 1.813 176.509 174.700 -0.007 0.000 1.040 294 T CA 1.429 63.523 62.100 -0.010 0.000 1.156 294 T CB -0.410 68.449 68.868 -0.016 0.000 0.863 294 T HN 0.260 nan 8.240 nan 0.000 0.430 295 L N 1.709 122.927 121.223 -0.008 0.000 2.131 295 L HA -0.063 4.277 4.340 0.000 0.000 0.210 295 L C 2.268 179.138 176.870 -0.000 0.000 1.092 295 L CA 2.234 57.072 54.840 -0.003 0.000 0.759 295 L CB -1.226 40.833 42.059 0.000 0.000 0.903 295 L HN 0.531 nan 8.230 nan 0.000 0.435 296 T N -4.805 109.751 114.554 0.003 0.000 3.044 296 T HA 0.277 4.627 4.350 0.000 0.000 0.260 296 T C 1.138 175.843 174.700 0.008 0.000 1.019 296 T CA 0.326 62.428 62.100 0.004 0.000 0.921 296 T CB 0.128 69.003 68.868 0.012 0.000 1.053 296 T HN 0.441 nan 8.240 nan 0.000 0.533 297 G N 0.567 109.372 108.800 0.009 0.000 2.314 297 G HA2 0.105 4.065 3.960 0.000 0.000 0.292 297 G HA3 0.105 4.065 3.960 0.000 0.000 0.292 297 G C 0.298 175.215 174.900 0.028 0.000 1.059 297 G CA -0.132 44.976 45.100 0.014 0.000 0.982 297 G HN 1.066 nan 8.290 nan 0.000 0.505 298 G N -1.539 107.277 108.800 0.027 0.000 2.735 298 G HA2 0.818 4.778 3.960 0.000 0.000 0.301 298 G HA3 0.818 4.778 3.960 0.000 0.000 0.301 298 G C -0.521 174.391 174.900 0.021 0.000 1.279 298 G CA 0.030 45.152 45.100 0.036 0.000 1.019 298 G HN 0.652 nan 8.290 nan 0.000 0.497 299 T N 0.660 115.226 114.554 0.020 0.000 2.809 299 T HA 0.412 4.762 4.350 0.000 0.000 0.284 299 T C 0.166 174.869 174.700 0.005 0.000 0.992 299 T CA -0.275 61.831 62.100 0.010 0.000 0.957 299 T CB 1.479 70.353 68.868 0.009 0.000 0.942 299 T HN 0.396 nan 8.240 nan 0.000 0.439 300 V N 4.794 124.707 119.914 -0.002 0.000 2.599 300 V HA 0.131 4.251 4.120 0.000 0.000 0.300 300 V C 0.441 176.533 176.094 -0.003 0.000 1.034 300 V CA 0.132 62.428 62.300 -0.006 0.000 1.115 300 V CB -0.058 31.757 31.823 -0.014 0.000 0.934 300 V HN 0.786 nan 8.190 nan 0.000 0.485 301 I N 5.318 125.887 120.570 -0.001 0.000 2.442 301 I HA 0.270 4.440 4.170 0.000 0.000 0.279 301 I C 0.279 176.396 176.117 -0.000 0.000 1.081 301 I CA 0.145 61.445 61.300 -0.000 0.000 1.197 301 I CB 0.757 38.758 38.000 0.001 0.000 1.394 301 I HN 0.745 nan 8.210 nan 0.000 0.488 302 S N 2.327 118.026 115.700 -0.002 0.000 2.501 302 S HA 0.400 4.870 4.470 0.000 0.000 0.301 302 S C 0.480 175.079 174.600 -0.001 0.000 1.096 302 S CA -0.872 57.327 58.200 -0.002 0.000 1.063 302 S CB 1.793 64.990 63.200 -0.005 0.000 1.042 302 S HN 0.537 nan 8.310 nan 0.000 0.494 303 E N 0.917 121.118 120.200 0.001 0.000 2.516 303 E HA -0.074 4.276 4.350 0.000 0.000 0.199 303 E C 0.985 177.585 176.600 0.000 0.000 1.069 303 E CA 0.490 56.891 56.400 0.002 0.000 0.876 303 E CB -0.065 29.638 29.700 0.004 0.000 0.843 303 E HN 0.755 nan 8.360 nan 0.000 0.530 304 E N 0.555 120.754 120.200 -0.002 0.000 2.076 304 E HA -0.052 4.298 4.350 0.000 0.000 0.190 304 E C 1.454 178.052 176.600 -0.004 0.000 0.979 304 E CA 0.623 57.021 56.400 -0.003 0.000 0.807 304 E CB 0.116 29.812 29.700 -0.005 0.000 0.761 304 E HN 0.303 nan 8.360 nan 0.000 0.454 305 I N 0.711 121.279 120.570 -0.004 0.000 3.680 305 I HA 0.094 4.264 4.170 0.000 0.000 0.306 305 I C 0.664 176.779 176.117 -0.003 0.000 1.260 305 I CA -0.002 61.296 61.300 -0.004 0.000 1.201 305 I CB -0.375 37.623 38.000 -0.005 0.000 1.009 305 I HN 0.065 nan 8.210 nan 0.000 0.467 306 G N 2.195 110.993 108.800 -0.002 0.000 2.392 306 G HA2 -0.259 3.701 3.960 0.000 0.000 0.290 306 G HA3 -0.259 3.701 3.960 0.000 0.000 0.290 306 G C -0.250 174.649 174.900 -0.001 0.000 1.032 306 G CA -0.039 45.060 45.100 -0.001 0.000 1.269 306 G HN 0.328 nan 8.290 nan 0.000 0.511 307 M N -0.174 119.426 119.600 -0.001 0.000 2.591 307 M HA 0.538 5.018 4.480 0.000 0.000 0.306 307 M C -0.128 176.172 176.300 -0.000 0.000 1.190 307 M CA -0.672 54.627 55.300 -0.001 0.000 0.889 307 M CB 2.356 34.955 32.600 -0.002 0.000 1.728 307 M HN 0.323 nan 8.290 nan 0.000 0.458 308 E N 1.575 121.775 120.200 -0.001 0.000 2.222 308 E HA 0.351 4.701 4.350 0.000 0.000 0.267 308 E C 0.268 176.867 176.600 -0.002 0.000 0.884 308 E CA -0.533 55.867 56.400 -0.000 0.000 0.764 308 E CB 2.536 32.236 29.700 -0.001 0.000 1.169 308 E HN 0.626 nan 8.360 nan 0.000 0.413 309 L N 1.609 122.832 121.223 0.000 0.000 2.013 309 L HA -0.283 4.057 4.340 0.000 0.000 0.212 309 L C 1.846 178.712 176.870 -0.006 0.000 1.073 309 L CA 1.561 56.400 54.840 -0.001 0.000 0.753 309 L CB -0.388 41.673 42.059 0.003 0.000 0.890 309 L HN 0.623 nan 8.230 nan 0.000 0.432 310 E N 0.320 120.517 120.200 -0.005 0.000 2.114 310 E HA -0.197 4.153 4.350 0.000 0.000 0.199 310 E C 0.862 177.456 176.600 -0.011 0.000 1.008 310 E CA 1.267 57.662 56.400 -0.008 0.000 0.810 310 E CB -0.100 29.597 29.700 -0.005 0.000 0.739 310 E HN 0.329 nan 8.360 nan 0.000 0.456 311 K N 0.421 120.816 120.400 -0.009 0.000 2.502 311 K HA 0.418 4.738 4.320 0.000 0.000 0.244 311 K C -1.060 175.532 176.600 -0.013 0.000 1.249 311 K CA -0.172 56.108 56.287 -0.011 0.000 1.193 311 K CB 0.761 33.256 32.500 -0.008 0.000 1.674 311 K HN 0.005 nan 8.250 nan 0.000 0.302 312 A N 1.500 124.309 122.820 -0.019 0.000 2.499 312 A HA 0.271 4.591 4.320 0.000 0.000 0.280 312 A C 0.106 177.668 177.584 -0.038 0.000 1.135 312 A CA -0.832 51.191 52.037 -0.023 0.000 0.744 312 A CB 0.543 19.531 19.000 -0.020 0.000 1.213 312 A HN 0.419 nan 8.150 nan 0.000 0.434 313 T N 0.276 114.808 114.554 -0.038 0.000 2.754 313 T HA 0.414 4.764 4.350 0.000 0.000 0.286 313 T C 1.458 176.108 174.700 -0.083 0.000 0.997 313 T CA -0.425 61.642 62.100 -0.056 0.000 0.982 313 T CB 0.292 69.136 68.868 -0.039 0.000 1.027 313 T HN 0.421 nan 8.240 nan 0.000 0.529 314 L N 0.028 121.173 121.223 -0.131 0.000 2.089 314 L HA -0.191 4.149 4.340 0.000 0.000 0.213 314 L C 3.096 179.913 176.870 -0.088 0.000 1.079 314 L CA 1.952 56.656 54.840 -0.227 0.000 0.758 314 L CB -0.589 41.309 42.059 -0.269 0.000 0.891 314 L HN 0.888 nan 8.230 nan 0.000 0.433 315 E N -0.064 120.123 120.200 -0.021 0.000 2.130 315 E HA -0.265 4.085 4.350 0.000 0.000 0.196 315 E C 1.583 178.207 176.600 0.040 0.000 0.998 315 E CA 1.535 57.954 56.400 0.031 0.000 0.806 315 E CB 0.073 29.784 29.700 0.017 0.000 0.738 315 E HN 0.525 nan 8.360 nan 0.000 0.459 316 D N 0.122 120.532 120.400 0.015 0.000 2.218 316 D HA -0.117 4.523 4.640 0.000 0.000 0.204 316 D C 0.367 176.693 176.300 0.044 0.000 0.976 316 D CA 0.414 54.426 54.000 0.020 0.000 0.853 316 D CB -0.060 40.742 40.800 0.003 0.000 0.939 316 D HN 0.121 nan 8.370 nan 0.000 0.481 317 L N 1.212 122.474 121.223 0.064 0.000 2.453 317 L HA 0.214 4.554 4.340 0.000 0.000 0.272 317 L C 1.430 178.405 176.870 0.175 0.000 1.182 317 L CA 0.104 55.021 54.840 0.127 0.000 0.858 317 L CB 0.654 42.816 42.059 0.172 0.000 1.120 317 L HN -0.134 nan 8.230 nan 0.000 0.474 318 G N 2.557 111.434 108.800 0.128 0.000 2.684 318 G HA2 0.388 4.348 3.960 0.000 0.000 0.255 318 G HA3 0.388 4.348 3.960 0.000 0.000 0.255 318 G C -0.731 174.227 174.900 0.096 0.000 1.219 318 G CA -0.216 44.939 45.100 0.092 0.000 0.901 318 G HN 0.629 nan 8.290 nan 0.000 0.548 319 Q N -1.612 118.192 119.800 0.006 0.000 2.435 319 Q HA 0.603 4.943 4.340 0.000 0.000 0.282 319 Q C -0.881 175.072 176.000 -0.078 0.000 1.020 319 Q CA -0.693 55.050 55.803 -0.100 0.000 0.820 319 Q CB 2.100 30.698 28.738 -0.233 0.000 1.436 319 Q HN 0.986 nan 8.270 nan 0.000 0.395 320 A N 1.818 124.580 122.820 -0.097 0.000 2.552 320 A HA 0.515 4.835 4.320 0.000 0.000 0.288 320 A C -0.693 176.844 177.584 -0.079 0.000 1.193 320 A CA -0.563 51.436 52.037 -0.064 0.000 0.713 320 A CB 1.449 20.432 19.000 -0.028 0.000 1.305 320 A HN 0.767 nan 8.150 nan 0.000 0.424 321 K N -0.771 119.597 120.400 -0.053 0.000 2.314 321 K HA 0.207 4.527 4.320 0.000 0.000 0.198 321 K C 0.216 176.793 176.600 -0.039 0.000 1.045 321 K CA 0.804 57.061 56.287 -0.050 0.000 0.988 321 K CB 0.270 32.748 32.500 -0.037 0.000 0.783 321 K HN 0.496 nan 8.250 nan 0.000 0.484 322 R N -0.188 120.294 120.500 -0.029 0.000 2.664 322 R HA 0.176 4.516 4.340 0.000 0.000 0.260 322 R C -1.896 174.396 176.300 -0.013 0.000 1.062 322 R CA -0.495 55.593 56.100 -0.019 0.000 0.902 322 R CB 2.133 32.425 30.300 -0.014 0.000 1.258 322 R HN -0.045 nan 8.270 nan 0.000 0.465 323 V N -0.109 119.799 119.914 -0.010 0.000 2.876 323 V HA 0.856 4.976 4.120 0.000 0.000 0.312 323 V C -1.458 174.628 176.094 -0.013 0.000 1.085 323 V CA -0.534 61.760 62.300 -0.010 0.000 0.945 323 V CB 2.362 34.181 31.823 -0.005 0.000 1.017 323 V HN 0.418 nan 8.190 nan 0.000 0.428 324 V N 6.273 126.172 119.914 -0.025 0.000 2.482 324 V HA 0.583 4.703 4.120 0.000 0.000 0.295 324 V C -0.341 175.724 176.094 -0.047 0.000 1.026 324 V CA -0.202 62.084 62.300 -0.023 0.000 0.856 324 V CB 1.434 33.243 31.823 -0.022 0.000 1.001 324 V HN 1.076 nan 8.190 nan 0.000 0.424 325 I N 3.054 123.615 120.570 -0.015 0.000 2.498 325 I HA 0.685 4.855 4.170 0.000 0.000 0.290 325 I C -0.677 175.464 176.117 0.040 0.000 1.032 325 I CA -0.352 60.929 61.300 -0.032 0.000 1.073 325 I CB 2.090 40.072 38.000 -0.031 0.000 1.251 325 I HN 0.469 nan 8.210 nan 0.000 0.426 326 N N 5.407 124.068 118.700 -0.066 0.000 2.776 326 N HA 0.232 4.972 4.740 0.000 0.000 0.319 326 N C 0.490 175.769 175.510 -0.385 0.000 1.316 326 N CA -0.758 52.256 53.050 -0.061 0.000 0.890 326 N CB 0.740 39.184 38.487 -0.071 0.000 1.165 326 N HN 0.666 nan 8.380 nan 0.000 0.596 327 K N 0.273 120.464 120.400 -0.348 0.000 2.152 327 K HA -0.167 4.153 4.320 0.000 0.000 0.206 327 K C -0.508 175.822 176.600 -0.450 0.000 1.048 327 K CA 1.999 57.960 56.287 -0.544 0.000 0.933 327 K CB -0.063 32.336 32.500 -0.167 0.000 0.721 327 K HN 0.575 nan 8.250 nan 0.000 0.447 328 D N -1.187 119.042 120.400 -0.284 0.000 2.822 328 D HA 0.106 4.746 4.640 0.000 0.000 0.327 328 D C -1.097 175.091 176.300 -0.187 0.000 1.577 328 D CA -0.410 53.465 54.000 -0.210 0.000 0.785 328 D CB 1.129 41.850 40.800 -0.131 0.000 1.199 328 D HN -0.164 nan 8.370 nan 0.000 0.443 329 T N 0.282 114.699 114.554 -0.227 0.000 3.355 329 T HA 0.342 4.692 4.350 0.000 0.000 0.324 329 T C -0.671 173.841 174.700 -0.313 0.000 0.932 329 T CA -0.408 61.546 62.100 -0.243 0.000 1.032 329 T CB 1.549 70.322 68.868 -0.158 0.000 1.027 329 T HN -0.091 nan 8.240 nan 0.000 0.456 330 T N 2.810 117.036 114.554 -0.546 0.000 2.889 330 T HA 0.651 5.001 4.350 0.000 0.000 0.291 330 T C 0.135 174.514 174.700 -0.535 0.000 0.995 330 T CA -0.333 61.407 62.100 -0.600 0.000 1.092 330 T CB 1.306 69.654 68.868 -0.866 0.000 0.954 330 T HN 0.582 nan 8.240 nan 0.000 0.506 331 T N 2.765 117.168 114.554 -0.251 0.000 3.071 331 T HA 0.558 4.908 4.350 0.000 0.000 0.311 331 T C -1.040 173.647 174.700 -0.022 0.000 1.042 331 T CA -0.681 61.357 62.100 -0.104 0.000 1.028 331 T CB 0.272 69.095 68.868 -0.074 0.000 1.068 331 T HN 0.436 nan 8.240 nan 0.000 0.451 332 I N 5.596 126.193 120.570 0.044 0.000 2.331 332 I HA 0.464 4.634 4.170 0.000 0.000 0.292 332 I C -0.066 176.067 176.117 0.026 0.000 0.998 332 I CA -0.748 60.580 61.300 0.046 0.000 1.267 332 I CB 1.393 39.444 38.000 0.085 0.000 1.386 332 I HN 0.565 nan 8.210 nan 0.000 0.476 333 I N 5.845 126.420 120.570 0.009 0.000 2.312 333 I HA 0.202 4.372 4.170 0.000 0.000 0.290 333 I C -0.542 175.573 176.117 -0.003 0.000 1.008 333 I CA -0.252 61.049 61.300 0.002 0.000 1.226 333 I CB 0.840 38.837 38.000 -0.005 0.000 1.371 333 I HN 0.612 nan 8.210 nan 0.000 0.468 334 D N 4.834 125.233 120.400 -0.002 0.000 4.201 334 D HA -0.110 4.530 4.640 0.000 0.000 0.238 334 D C 0.075 176.368 176.300 -0.012 0.000 1.070 334 D CA 0.978 54.974 54.000 -0.008 0.000 1.208 334 D CB 0.009 40.802 40.800 -0.012 0.000 0.825 334 D HN 0.772 nan 8.370 nan 0.000 0.404 335 G N 1.141 109.936 108.800 -0.008 0.000 2.448 335 G HA2 0.422 4.382 3.960 0.000 0.000 0.285 335 G HA3 0.422 4.382 3.960 0.000 0.000 0.285 335 G C 1.329 176.219 174.900 -0.017 0.000 1.176 335 G CA -0.505 44.589 45.100 -0.011 0.000 0.852 335 G HN 0.380 nan 8.290 nan 0.000 0.530 336 V N 1.738 121.638 119.914 -0.023 0.000 2.809 336 V HA 0.013 4.133 4.120 0.000 0.000 0.256 336 V C 2.170 178.257 176.094 -0.012 0.000 1.080 336 V CA 1.131 63.417 62.300 -0.024 0.000 1.102 336 V CB -0.974 30.828 31.823 -0.035 0.000 0.705 336 V HN 0.826 nan 8.190 nan 0.000 0.475 337 G N 1.314 110.110 108.800 -0.007 0.000 2.150 337 G HA2 0.001 3.961 3.960 0.000 0.000 0.250 337 G HA3 0.001 3.961 3.960 0.000 0.000 0.250 337 G C -0.044 174.854 174.900 -0.005 0.000 1.179 337 G CA -0.138 44.959 45.100 -0.004 0.000 0.934 337 G HN 0.571 nan 8.290 nan 0.000 0.453 338 E N 2.116 122.314 120.200 -0.003 0.000 2.413 338 E HA 0.011 4.361 4.350 0.000 0.000 0.263 338 E C 0.819 177.417 176.600 -0.004 0.000 1.015 338 E CA 0.116 56.514 56.400 -0.004 0.000 0.916 338 E CB 1.106 30.805 29.700 -0.002 0.000 0.947 338 E HN 0.688 nan 8.360 nan 0.000 0.440 339 E N 1.735 121.932 120.200 -0.004 0.000 2.409 339 E HA -0.183 4.167 4.350 0.000 0.000 0.198 339 E C 1.636 178.234 176.600 -0.004 0.000 1.024 339 E CA 0.595 56.992 56.400 -0.005 0.000 0.861 339 E CB -0.009 29.689 29.700 -0.005 0.000 0.788 339 E HN 0.587 nan 8.360 nan 0.000 0.521 340 A N 1.736 124.554 122.820 -0.004 0.000 1.865 340 A HA -0.157 4.163 4.320 0.000 0.000 0.217 340 A C 2.419 180.001 177.584 -0.004 0.000 1.191 340 A CA 1.831 53.866 52.037 -0.004 0.000 0.623 340 A CB -0.701 18.298 19.000 -0.003 0.000 0.826 340 A HN 0.328 nan 8.150 nan 0.000 0.444 341 A N -0.558 122.260 122.820 -0.004 0.000 1.929 341 A HA 0.072 4.392 4.320 0.000 0.000 0.216 341 A C 2.118 179.698 177.584 -0.007 0.000 1.176 341 A CA 1.204 53.238 52.037 -0.005 0.000 0.628 341 A CB -0.536 18.462 19.000 -0.004 0.000 0.816 341 A HN 0.491 nan 8.150 nan 0.000 0.444 342 I N -0.830 119.736 120.570 -0.006 0.000 2.099 342 I HA -0.289 3.881 4.170 0.000 0.000 0.239 342 I C 2.759 178.871 176.117 -0.008 0.000 1.066 342 I CA 1.831 63.126 61.300 -0.008 0.000 1.324 342 I CB -0.355 37.642 38.000 -0.006 0.000 1.037 342 I HN 0.321 nan 8.210 nan 0.000 0.401 343 Q N 1.248 121.044 119.800 -0.007 0.000 2.135 343 Q HA -0.148 4.192 4.340 0.000 0.000 0.204 343 Q C 1.997 177.992 176.000 -0.008 0.000 0.981 343 Q CA 2.071 57.870 55.803 -0.007 0.000 0.856 343 Q CB -0.798 27.936 28.738 -0.006 0.000 0.902 343 Q HN 0.534 nan 8.270 nan 0.000 0.425 344 G N -0.154 108.642 108.800 -0.008 0.000 2.414 344 G HA2 -0.304 3.656 3.960 0.000 0.000 0.215 344 G HA3 -0.304 3.656 3.960 0.000 0.000 0.215 344 G C 1.523 176.417 174.900 -0.011 0.000 1.188 344 G CA 0.826 45.921 45.100 -0.008 0.000 0.783 344 G HN 0.371 nan 8.290 nan 0.000 0.537 345 R N 0.311 120.804 120.500 -0.012 0.000 2.152 345 R HA 0.005 4.345 4.340 0.000 0.000 0.232 345 R C 2.383 178.673 176.300 -0.017 0.000 1.117 345 R CA 1.373 57.463 56.100 -0.015 0.000 0.981 345 R CB -0.783 29.507 30.300 -0.017 0.000 0.870 345 R HN 0.251 nan 8.270 nan 0.000 0.451 346 V N 0.365 120.271 119.914 -0.015 0.000 2.453 346 V HA -0.070 4.050 4.120 0.000 0.000 0.247 346 V C 2.193 178.279 176.094 -0.014 0.000 1.048 346 V CA 1.663 63.955 62.300 -0.015 0.000 1.049 346 V CB -0.664 31.152 31.823 -0.012 0.000 0.672 346 V HN 0.507 nan 8.190 nan 0.000 0.457 347 A N -1.064 121.749 122.820 -0.012 0.000 2.168 347 A HA -0.173 4.147 4.320 0.000 0.000 0.215 347 A C 2.138 179.715 177.584 -0.012 0.000 1.152 347 A CA 1.242 53.273 52.037 -0.011 0.000 0.716 347 A CB -0.257 18.738 19.000 -0.009 0.000 0.794 347 A HN 0.638 nan 8.150 nan 0.000 0.465 348 Q N -0.603 119.188 119.800 -0.014 0.000 2.107 348 Q HA 0.113 4.454 4.340 0.000 0.000 0.195 348 Q C 1.667 177.657 176.000 -0.018 0.000 0.964 348 Q CA 1.076 56.870 55.803 -0.015 0.000 0.833 348 Q CB -0.160 28.568 28.738 -0.016 0.000 0.910 348 Q HN 0.713 nan 8.270 nan 0.000 0.465 349 I N 0.777 121.335 120.570 -0.021 0.000 3.083 349 I HA -0.169 4.001 4.170 0.000 0.000 0.273 349 I C 2.259 178.362 176.117 -0.022 0.000 1.297 349 I CA 0.409 61.694 61.300 -0.025 0.000 1.452 349 I CB -0.145 37.837 38.000 -0.029 0.000 1.078 349 I HN 0.091 nan 8.210 nan 0.000 0.484 350 R N 1.653 122.142 120.500 -0.018 0.000 2.073 350 R HA -0.190 4.150 4.340 0.000 0.000 0.234 350 R C 2.013 178.305 176.300 -0.013 0.000 1.134 350 R CA 1.766 57.857 56.100 -0.014 0.000 0.952 350 R CB -0.125 30.168 30.300 -0.012 0.000 0.850 350 R HN 0.400 nan 8.270 nan 0.000 0.433 351 Q N -0.649 119.143 119.800 -0.013 0.000 2.392 351 Q HA 0.037 4.377 4.340 0.000 0.000 0.203 351 Q C 1.684 177.676 176.000 -0.013 0.000 0.917 351 Q CA 0.168 55.964 55.803 -0.011 0.000 0.939 351 Q CB 0.541 29.273 28.738 -0.010 0.000 1.063 351 Q HN 0.365 nan 8.270 nan 0.000 0.516 352 Q N 0.455 120.244 119.800 -0.018 0.000 2.124 352 Q HA -0.121 4.219 4.340 0.000 0.000 0.202 352 Q C 1.990 177.977 176.000 -0.021 0.000 0.977 352 Q CA 1.183 56.972 55.803 -0.022 0.000 0.850 352 Q CB -0.003 28.718 28.738 -0.029 0.000 0.901 352 Q HN 0.510 nan 8.270 nan 0.000 0.429 353 I N 0.981 121.538 120.570 -0.021 0.000 2.353 353 I HA -0.196 3.974 4.170 0.000 0.000 0.248 353 I C 2.090 178.201 176.117 -0.010 0.000 1.119 353 I CA 0.723 62.012 61.300 -0.018 0.000 1.417 353 I CB -0.310 37.679 38.000 -0.018 0.000 1.078 353 I HN 0.034 nan 8.210 nan 0.000 0.421 354 E N 1.600 121.795 120.200 -0.008 0.000 2.085 354 E HA -0.218 4.132 4.350 0.000 0.000 0.194 354 E C 1.412 178.010 176.600 -0.002 0.000 0.994 354 E CA 1.422 57.819 56.400 -0.004 0.000 0.801 354 E CB -0.304 29.394 29.700 -0.004 0.000 0.743 354 E HN 0.657 nan 8.360 nan 0.000 0.453 355 E N 0.116 120.313 120.200 -0.004 0.000 2.501 355 E HA 0.310 4.660 4.350 0.000 0.000 0.200 355 E C -0.089 176.509 176.600 -0.003 0.000 1.016 355 E CA -0.076 56.323 56.400 -0.003 0.000 0.921 355 E CB 0.817 30.515 29.700 -0.004 0.000 1.034 355 E HN 0.039 nan 8.360 nan 0.000 0.468 356 A N 1.870 124.687 122.820 -0.005 0.000 2.545 356 A HA 0.080 4.400 4.320 0.000 0.000 0.297 356 A C 1.320 178.907 177.584 0.006 0.000 1.340 356 A CA -0.214 51.820 52.037 -0.004 0.000 1.016 356 A CB -0.561 18.431 19.000 -0.013 0.000 1.122 356 A HN 0.253 nan 8.150 nan 0.000 0.537 357 T N -0.275 114.286 114.554 0.011 0.000 3.160 357 T HA 0.133 4.483 4.350 0.000 0.000 0.257 357 T C 0.842 175.556 174.700 0.024 0.000 1.147 357 T CA 0.845 62.955 62.100 0.016 0.000 1.064 357 T CB -0.159 68.718 68.868 0.014 0.000 0.949 357 T HN 0.411 nan 8.240 nan 0.000 0.526 358 S N -0.581 115.137 115.700 0.030 0.000 2.759 358 S HA 0.414 4.884 4.470 0.000 0.000 0.310 358 S C 0.246 174.876 174.600 0.050 0.000 1.123 358 S CA -0.750 57.479 58.200 0.048 0.000 0.959 358 S CB 1.737 64.980 63.200 0.071 0.000 1.172 358 S HN 0.146 nan 8.310 nan 0.000 0.539 359 D N -0.207 120.237 120.400 0.073 0.000 2.323 359 D HA 0.045 4.685 4.640 0.000 0.000 0.218 359 D C 1.230 177.589 176.300 0.099 0.000 0.973 359 D CA 0.754 54.798 54.000 0.075 0.000 0.890 359 D CB -0.056 40.789 40.800 0.075 0.000 1.011 359 D HN 0.590 nan 8.370 nan 0.000 0.499 360 Y N 1.884 122.190 120.300 0.010 0.000 2.337 360 Y HA -0.081 4.469 4.550 0.000 0.000 0.293 360 Y C 0.988 176.891 175.900 0.004 0.000 1.123 360 Y CA 1.345 59.451 58.100 0.010 0.000 1.201 360 Y CB 0.026 38.494 38.460 0.013 0.000 1.011 360 Y HN -0.201 nan 8.280 nan 0.000 0.545 361 D N -0.246 120.138 120.400 -0.027 0.000 2.392 361 D HA -0.053 4.587 4.640 0.000 0.000 0.228 361 D C 1.901 178.133 176.300 -0.113 0.000 1.003 361 D CA 0.554 54.495 54.000 -0.098 0.000 0.917 361 D CB 0.003 40.807 40.800 0.006 0.000 0.890 361 D HN 0.337 nan 8.370 nan 0.000 0.532 362 R N 0.114 120.554 120.500 -0.101 0.000 2.164 362 R HA 0.000 4.340 4.340 0.000 0.000 0.198 362 R C 1.508 177.755 176.300 -0.090 0.000 1.028 362 R CA 0.202 56.262 56.100 -0.068 0.000 1.083 362 R CB 0.395 30.680 30.300 -0.024 0.000 1.026 362 R HN -0.014 nan 8.270 nan 0.000 0.514 363 E N 1.619 121.748 120.200 -0.120 0.000 2.033 363 E HA -0.229 4.121 4.350 0.000 0.000 0.199 363 E C 1.670 178.191 176.600 -0.132 0.000 1.011 363 E CA 1.197 57.530 56.400 -0.113 0.000 0.815 363 E CB -0.174 29.455 29.700 -0.118 0.000 0.755 363 E HN 0.203 nan 8.360 nan 0.000 0.451 364 K N 0.912 121.184 120.400 -0.214 0.000 2.063 364 K HA -0.079 4.241 4.320 0.000 0.000 0.208 364 K C 2.549 179.080 176.600 -0.116 0.000 1.048 364 K CA 0.787 56.967 56.287 -0.178 0.000 0.928 364 K CB -0.704 31.648 32.500 -0.247 0.000 0.713 364 K HN 0.196 nan 8.250 nan 0.000 0.442 365 L N 1.183 122.340 121.223 -0.111 0.000 2.017 365 L HA -0.224 4.116 4.340 0.000 0.000 0.208 365 L C 2.673 179.509 176.870 -0.057 0.000 1.073 365 L CA 1.407 56.201 54.840 -0.076 0.000 0.745 365 L CB -0.554 41.465 42.059 -0.067 0.000 0.894 365 L HN 0.231 nan 8.230 nan 0.000 0.432 366 Q N -0.294 119.473 119.800 -0.055 0.000 2.170 366 Q HA -0.220 4.120 4.340 0.000 0.000 0.203 366 Q C 2.108 178.086 176.000 -0.036 0.000 0.976 366 Q CA 1.352 57.130 55.803 -0.040 0.000 0.858 366 Q CB -0.078 28.638 28.738 -0.037 0.000 0.907 366 Q HN 0.523 nan 8.270 nan 0.000 0.433 367 E N 0.643 120.817 120.200 -0.043 0.000 2.007 367 E HA -0.193 4.157 4.350 0.000 0.000 0.194 367 E C 2.070 178.655 176.600 -0.025 0.000 0.999 367 E CA 0.961 57.343 56.400 -0.031 0.000 0.811 367 E CB -0.019 29.661 29.700 -0.033 0.000 0.762 367 E HN 0.251 nan 8.360 nan 0.000 0.450 368 R N 0.407 120.886 120.500 -0.036 0.000 2.103 368 R HA -0.179 4.161 4.340 0.000 0.000 0.242 368 R C 2.696 178.980 176.300 -0.027 0.000 1.142 368 R CA 1.702 57.782 56.100 -0.034 0.000 0.960 368 R CB -0.876 29.396 30.300 -0.048 0.000 0.858 368 R HN 0.249 nan 8.270 nan 0.000 0.439 369 V N -1.216 118.681 119.914 -0.028 0.000 2.324 369 V HA -0.221 3.899 4.120 0.000 0.000 0.250 369 V C 2.209 178.294 176.094 -0.016 0.000 1.060 369 V CA 2.025 64.312 62.300 -0.022 0.000 1.042 369 V CB -0.964 30.845 31.823 -0.022 0.000 0.650 369 V HN 0.311 nan 8.190 nan 0.000 0.450 370 A N 0.264 123.076 122.820 -0.014 0.000 1.929 370 A HA -0.071 4.249 4.320 0.000 0.000 0.216 370 A C 2.288 179.871 177.584 -0.002 0.000 1.176 370 A CA 1.706 53.738 52.037 -0.008 0.000 0.628 370 A CB -0.537 18.457 19.000 -0.009 0.000 0.816 370 A HN 0.611 nan 8.150 nan 0.000 0.444 371 K N -0.658 119.742 120.400 0.001 0.000 2.283 371 K HA 0.066 4.386 4.320 0.000 0.000 0.202 371 K C 1.394 177.999 176.600 0.008 0.000 1.048 371 K CA 0.950 57.245 56.287 0.013 0.000 0.948 371 K CB -0.162 32.350 32.500 0.021 0.000 0.742 371 K HN 0.465 nan 8.250 nan 0.000 0.458 372 L N -1.087 120.134 121.223 -0.003 0.000 2.425 372 L HA 0.133 4.473 4.340 0.000 0.000 0.215 372 L C 1.893 178.760 176.870 -0.005 0.000 1.065 372 L CA 0.238 55.075 54.840 -0.005 0.000 0.842 372 L CB 0.062 42.113 42.059 -0.013 0.000 1.033 372 L HN 0.073 nan 8.230 nan 0.000 0.474 373 A N -0.035 122.782 122.820 -0.006 0.000 2.453 373 A HA 0.499 4.819 4.320 0.000 0.000 0.225 373 A C 1.622 179.204 177.584 -0.004 0.000 2.127 373 A CA 0.708 52.742 52.037 -0.006 0.000 0.864 373 A CB -1.219 17.776 19.000 -0.008 0.000 1.440 373 A HN 0.218 nan 8.150 nan 0.000 0.566 374 G N -1.133 107.664 108.800 -0.004 0.000 3.311 374 G HA2 0.456 4.416 3.960 0.000 0.000 0.169 374 G HA3 0.456 4.416 3.960 0.000 0.000 0.169 374 G C 0.416 175.315 174.900 -0.001 0.000 1.852 374 G CA 0.364 45.462 45.100 -0.004 0.000 1.010 374 G HN 1.202 nan 8.290 nan 0.000 0.530 375 G N -2.261 106.538 108.800 -0.002 0.000 2.733 375 G HA2 0.519 4.479 3.960 0.000 0.000 0.288 375 G HA3 0.519 4.479 3.960 0.000 0.000 0.288 375 G C -1.761 173.138 174.900 -0.002 0.000 1.373 375 G CA -0.357 44.743 45.100 -0.000 0.000 0.895 375 G HN 0.607 nan 8.290 nan 0.000 0.479 376 V N 0.134 120.049 119.914 0.001 0.000 2.483 376 V HA 0.767 4.888 4.120 0.000 0.000 0.295 376 V C 0.341 176.433 176.094 -0.003 0.000 1.035 376 V CA -0.478 61.822 62.300 -0.000 0.000 0.896 376 V CB 1.134 32.961 31.823 0.006 0.000 0.986 376 V HN 1.180 nan 8.190 nan 0.000 0.447 377 A N 4.178 126.994 122.820 -0.006 0.000 2.386 377 A HA 0.897 5.217 4.320 0.000 0.000 0.311 377 A C -1.116 176.464 177.584 -0.008 0.000 1.068 377 A CA -0.572 51.461 52.037 -0.007 0.000 0.743 377 A CB 1.942 20.937 19.000 -0.009 0.000 1.258 377 A HN 0.625 nan 8.150 nan 0.000 0.429 378 V N 3.049 122.960 119.914 -0.006 0.000 2.540 378 V HA 0.437 4.557 4.120 0.000 0.000 0.302 378 V C -0.381 175.710 176.094 -0.004 0.000 1.035 378 V CA -0.282 62.016 62.300 -0.005 0.000 0.873 378 V CB 1.600 33.422 31.823 -0.003 0.000 0.992 378 V HN 0.798 nan 8.190 nan 0.000 0.428 379 I N 4.358 124.926 120.570 -0.004 0.000 2.392 379 I HA 0.433 4.603 4.170 0.000 0.000 0.295 379 I C -0.051 176.066 176.117 0.001 0.000 0.985 379 I CA -0.464 60.835 61.300 -0.002 0.000 1.221 379 I CB 1.530 39.528 38.000 -0.003 0.000 1.366 379 I HN 0.517 nan 8.210 nan 0.000 0.467 380 K N 5.660 126.061 120.400 0.001 0.000 2.307 380 K HA 0.482 4.802 4.320 0.000 0.000 0.263 380 K C -1.162 175.441 176.600 0.004 0.000 0.973 380 K CA -0.691 55.598 56.287 0.003 0.000 0.846 380 K CB 1.931 34.432 32.500 0.002 0.000 1.100 380 K HN 0.263 nan 8.250 nan 0.000 0.438 381 V N 2.320 122.237 119.914 0.006 0.000 2.488 381 V HA 0.277 4.397 4.120 0.000 0.000 0.277 381 V C 0.847 176.945 176.094 0.006 0.000 1.046 381 V CA -0.766 61.539 62.300 0.007 0.000 0.986 381 V CB 0.995 32.824 31.823 0.010 0.000 0.989 381 V HN 0.891 nan 8.190 nan 0.000 0.475 382 G N 2.952 111.755 108.800 0.005 0.000 2.400 382 G HA2 0.736 4.696 3.960 0.000 0.000 0.301 382 G HA3 0.736 4.696 3.960 0.000 0.000 0.301 382 G C -0.439 174.464 174.900 0.005 0.000 1.154 382 G CA 0.088 45.190 45.100 0.004 0.000 0.852 382 G HN 1.353 nan 8.290 nan 0.000 0.511 383 A N -0.114 122.709 122.820 0.004 0.000 2.594 383 A HA 0.726 5.046 4.320 0.000 0.000 0.296 383 A C 0.598 178.184 177.584 0.004 0.000 1.056 383 A CA 0.341 52.380 52.037 0.004 0.000 0.693 383 A CB 0.683 19.686 19.000 0.006 0.000 1.278 383 A HN 1.791 nan 8.150 nan 0.000 0.408 384 A N 0.558 123.380 122.820 0.003 0.000 1.897 384 A HA 0.377 4.697 4.320 0.000 0.000 0.215 384 A C 1.395 178.981 177.584 0.003 0.000 1.181 384 A CA 2.424 54.463 52.037 0.002 0.000 0.620 384 A CB -0.629 18.372 19.000 0.001 0.000 0.821 384 A HN 1.927 nan 8.150 nan 0.000 0.443 385 T N -4.601 109.956 114.554 0.004 0.000 2.841 385 T HA 0.534 4.884 4.350 0.000 0.000 0.276 385 T C 0.530 175.233 174.700 0.006 0.000 1.003 385 T CA -0.127 61.976 62.100 0.004 0.000 0.995 385 T CB 1.764 70.633 68.868 0.003 0.000 1.260 385 T HN 0.182 nan 8.240 nan 0.000 0.581 386 E N -0.439 119.765 120.200 0.008 0.000 2.166 386 E HA 0.008 4.358 4.350 0.000 0.000 0.192 386 E C 2.210 178.816 176.600 0.011 0.000 0.967 386 E CA 0.512 56.919 56.400 0.011 0.000 0.840 386 E CB -0.014 29.694 29.700 0.014 0.000 0.795 386 E HN 0.546 nan 8.360 nan 0.000 0.470 387 V N 0.866 120.784 119.914 0.007 0.000 2.453 387 V HA -0.256 3.864 4.120 0.000 0.000 0.252 387 V C 2.116 178.213 176.094 0.004 0.000 1.068 387 V CA 1.912 64.214 62.300 0.004 0.000 1.070 387 V CB -0.585 31.237 31.823 -0.001 0.000 0.664 387 V HN 0.217 nan 8.190 nan 0.000 0.461 388 E N -0.455 119.748 120.200 0.005 0.000 2.075 388 E HA -0.123 4.227 4.350 0.000 0.000 0.190 388 E C 2.108 178.712 176.600 0.008 0.000 0.969 388 E CA 1.039 57.442 56.400 0.005 0.000 0.815 388 E CB -0.067 29.635 29.700 0.004 0.000 0.776 388 E HN 0.498 nan 8.360 nan 0.000 0.457 389 M N 1.724 121.329 119.600 0.009 0.000 2.082 389 M HA -0.232 4.248 4.480 0.000 0.000 0.258 389 M C 1.898 178.206 176.300 0.014 0.000 1.071 389 M CA 1.809 57.116 55.300 0.011 0.000 1.103 389 M CB -0.187 32.421 32.600 0.012 0.000 1.307 389 M HN -0.124 nan 8.290 nan 0.000 0.409 390 K N -0.428 119.982 120.400 0.016 0.000 2.015 390 K HA -0.285 4.035 4.320 0.000 0.000 0.216 390 K C 1.984 178.595 176.600 0.017 0.000 1.052 390 K CA 2.319 58.618 56.287 0.019 0.000 0.937 390 K CB -0.520 31.992 32.500 0.020 0.000 0.719 390 K HN 0.572 nan 8.250 nan 0.000 0.446 391 E N 1.548 121.755 120.200 0.012 0.000 2.031 391 E HA -0.245 4.105 4.350 0.000 0.000 0.193 391 E C 1.927 178.535 176.600 0.013 0.000 0.994 391 E CA 1.956 58.362 56.400 0.011 0.000 0.800 391 E CB -0.190 29.514 29.700 0.006 0.000 0.752 391 E HN 0.094 nan 8.360 nan 0.000 0.447 392 K N 0.816 121.223 120.400 0.012 0.000 2.074 392 K HA -0.210 4.110 4.320 0.000 0.000 0.209 392 K C 2.187 178.798 176.600 0.017 0.000 1.048 392 K CA 2.054 58.348 56.287 0.012 0.000 0.926 392 K CB -0.239 32.267 32.500 0.010 0.000 0.713 392 K HN 0.164 nan 8.250 nan 0.000 0.444 393 K N -0.537 119.874 120.400 0.019 0.000 2.026 393 K HA -0.106 4.214 4.320 0.000 0.000 0.208 393 K C 2.017 178.636 176.600 0.031 0.000 1.048 393 K CA 1.262 57.563 56.287 0.023 0.000 0.929 393 K CB -0.321 32.193 32.500 0.024 0.000 0.713 393 K HN 0.249 nan 8.250 nan 0.000 0.439 394 A N 1.511 124.350 122.820 0.031 0.000 1.892 394 A HA -0.233 4.087 4.320 0.000 0.000 0.218 394 A C 2.129 179.737 177.584 0.040 0.000 1.188 394 A CA 1.764 53.823 52.037 0.036 0.000 0.631 394 A CB -0.570 18.446 19.000 0.026 0.000 0.822 394 A HN 0.325 nan 8.150 nan 0.000 0.447 395 R N -0.831 119.687 120.500 0.030 0.000 2.070 395 R HA -0.098 4.242 4.340 0.000 0.000 0.233 395 R C 2.137 178.460 176.300 0.039 0.000 1.137 395 R CA 1.612 57.730 56.100 0.030 0.000 0.945 395 R CB -0.686 29.626 30.300 0.020 0.000 0.845 395 R HN 0.406 nan 8.270 nan 0.000 0.430 396 V N 1.550 121.484 119.914 0.032 0.000 2.250 396 V HA -0.306 3.814 4.120 0.000 0.000 0.250 396 V C 2.284 178.406 176.094 0.047 0.000 1.060 396 V CA 1.903 64.222 62.300 0.031 0.000 1.030 396 V CB -0.584 31.252 31.823 0.021 0.000 0.643 396 V HN 0.361 nan 8.190 nan 0.000 0.445 397 E N 0.015 120.252 120.200 0.062 0.000 2.048 397 E HA -0.334 4.016 4.350 0.000 0.000 0.202 397 E C 2.049 178.782 176.600 0.221 0.000 1.021 397 E CA 2.164 58.629 56.400 0.109 0.000 0.825 397 E CB -0.515 29.257 29.700 0.121 0.000 0.756 397 E HN 0.694 nan 8.360 nan 0.000 0.454 398 D N -0.345 120.156 120.400 0.169 0.000 2.149 398 D HA -0.181 4.459 4.640 0.000 0.000 0.194 398 D C 1.715 178.101 176.300 0.144 0.000 1.001 398 D CA 1.957 56.044 54.000 0.144 0.000 0.849 398 D CB -0.025 40.814 40.800 0.065 0.000 0.939 398 D HN 0.230 nan 8.370 nan 0.000 0.449 399 A N -0.241 122.635 122.820 0.093 0.000 1.943 399 A HA 0.024 4.344 4.320 0.000 0.000 0.213 399 A C 2.071 179.688 177.584 0.055 0.000 1.181 399 A CA 0.181 52.257 52.037 0.065 0.000 0.653 399 A CB -0.527 18.496 19.000 0.039 0.000 0.833 399 A HN 0.295 nan 8.150 nan 0.000 0.451 400 L N -0.081 121.164 121.223 0.035 0.000 2.064 400 L HA -0.294 4.046 4.340 0.000 0.000 0.216 400 L C 2.288 179.130 176.870 -0.047 0.000 1.077 400 L CA 2.706 57.529 54.840 -0.028 0.000 0.766 400 L CB -1.175 40.837 42.059 -0.079 0.000 0.890 400 L HN 0.577 nan 8.230 nan 0.000 0.435 401 H N -1.011 118.067 119.070 0.013 0.000 2.326 401 H HA -0.043 4.513 4.556 0.000 0.000 0.301 401 H C 2.194 177.532 175.328 0.016 0.000 1.081 401 H CA 1.677 57.735 56.048 0.016 0.000 1.334 401 H CB -0.061 29.712 29.762 0.019 0.000 1.385 401 H HN 0.468 nan 8.280 nan 0.000 0.504 402 A N 0.225 123.137 122.820 0.153 0.000 1.902 402 A HA -0.232 4.088 4.320 0.000 0.000 0.217 402 A C 2.524 180.141 177.584 0.055 0.000 1.181 402 A CA 2.274 54.365 52.037 0.089 0.000 0.623 402 A CB -1.237 17.802 19.000 0.066 0.000 0.818 402 A HN 0.631 nan 8.150 nan 0.000 0.443 403 T N -1.629 112.948 114.554 0.039 0.000 2.684 403 T HA -0.225 4.125 4.350 0.000 0.000 0.267 403 T C 1.897 176.608 174.700 0.017 0.000 1.036 403 T CA 1.347 63.460 62.100 0.021 0.000 1.148 403 T CB -0.530 68.343 68.868 0.010 0.000 0.863 403 T HN 0.466 nan 8.240 nan 0.000 0.436 404 R N 1.620 122.126 120.500 0.011 0.000 2.170 404 R HA 0.032 4.372 4.340 0.000 0.000 0.242 404 R C 2.748 179.064 176.300 0.027 0.000 1.145 404 R CA 1.382 57.487 56.100 0.008 0.000 0.984 404 R CB -0.977 29.316 30.300 -0.011 0.000 0.869 404 R HN 0.661 nan 8.270 nan 0.000 0.455 405 A N 1.009 123.855 122.820 0.043 0.000 1.903 405 A HA 0.135 4.455 4.320 0.000 0.000 0.213 405 A C 2.419 180.021 177.584 0.031 0.000 1.185 405 A CA 1.015 53.079 52.037 0.045 0.000 0.628 405 A CB -0.406 18.630 19.000 0.059 0.000 0.830 405 A HN 0.290 nan 8.150 nan 0.000 0.446 406 A N -0.341 122.495 122.820 0.028 0.000 1.903 406 A HA -0.126 4.194 4.320 0.000 0.000 0.219 406 A C 2.207 179.801 177.584 0.016 0.000 1.191 406 A CA 2.116 54.165 52.037 0.020 0.000 0.638 406 A CB -0.997 18.014 19.000 0.018 0.000 0.823 406 A HN 0.425 nan 8.150 nan 0.000 0.451 407 V N 0.742 120.665 119.914 0.014 0.000 2.548 407 V HA -0.197 3.923 4.120 0.000 0.000 0.249 407 V C 2.411 178.511 176.094 0.010 0.000 1.055 407 V CA 2.145 64.451 62.300 0.010 0.000 1.065 407 V CB -0.679 31.148 31.823 0.006 0.000 0.681 407 V HN 0.930 nan 8.190 nan 0.000 0.462 408 E N -0.354 119.854 120.200 0.013 0.000 2.447 408 E HA -0.060 4.290 4.350 0.000 0.000 0.195 408 E C 1.640 178.248 176.600 0.012 0.000 1.028 408 E CA 0.747 57.154 56.400 0.013 0.000 0.876 408 E CB 0.204 29.913 29.700 0.015 0.000 0.885 408 E HN 0.631 nan 8.360 nan 0.000 0.500 409 E N 0.089 120.298 120.200 0.014 0.000 2.702 409 E HA 0.218 4.568 4.350 0.000 0.000 0.225 409 E C 0.229 176.836 176.600 0.010 0.000 0.942 409 E CA 0.349 56.756 56.400 0.011 0.000 1.210 409 E CB 1.115 30.823 29.700 0.013 0.000 1.143 409 E HN 0.323 nan 8.360 nan 0.000 0.544 410 G N 0.265 109.072 108.800 0.012 0.000 2.660 410 G HA2 -0.161 3.799 3.960 0.000 0.000 0.247 410 G HA3 -0.161 3.799 3.960 0.000 0.000 0.247 410 G C -0.534 174.374 174.900 0.013 0.000 1.328 410 G CA -0.511 44.596 45.100 0.011 0.000 0.884 410 G HN 0.686 nan 8.290 nan 0.000 0.531 411 V N -2.750 117.171 119.914 0.012 0.000 3.040 411 V HA 0.989 5.109 4.120 0.000 0.000 0.312 411 V C 0.618 176.721 176.094 0.014 0.000 1.115 411 V CA 0.062 62.370 62.300 0.014 0.000 0.998 411 V CB 1.122 32.953 31.823 0.014 0.000 1.042 411 V HN 2.501 nan 8.190 nan 0.000 0.433 412 V N -1.049 118.874 119.914 0.016 0.000 3.156 412 V HA 1.033 5.153 4.120 0.000 0.000 0.310 412 V C 0.259 176.365 176.094 0.020 0.000 1.234 412 V CA -0.655 61.656 62.300 0.018 0.000 1.065 412 V CB 1.475 33.309 31.823 0.017 0.000 1.088 412 V HN 2.015 nan 8.190 nan 0.000 0.451 413 A N 0.749 123.584 122.820 0.025 0.000 2.409 413 A HA 0.749 5.069 4.320 0.000 0.000 0.267 413 A C 0.769 178.368 177.584 0.025 0.000 1.127 413 A CA 0.414 52.468 52.037 0.027 0.000 0.795 413 A CB -0.277 18.746 19.000 0.037 0.000 1.061 413 A HN 1.963 nan 8.150 nan 0.000 0.502 414 G N 0.758 109.570 108.800 0.020 0.000 2.525 414 G HA2 0.493 4.453 3.960 0.000 0.000 0.276 414 G HA3 0.493 4.453 3.960 0.000 0.000 0.276 414 G C 1.161 176.076 174.900 0.025 0.000 1.388 414 G CA 0.044 45.155 45.100 0.019 0.000 1.050 414 G HN 2.231 nan 8.290 nan 0.000 0.520 415 G N -2.336 106.480 108.800 0.026 0.000 2.155 415 G HA2 0.209 4.169 3.960 0.000 0.000 0.257 415 G HA3 0.209 4.169 3.960 0.000 0.000 0.257 415 G C 1.463 176.391 174.900 0.046 0.000 0.983 415 G CA 1.059 46.185 45.100 0.042 0.000 0.676 415 G HN 2.529 nan 8.290 nan 0.000 0.528 416 G N -2.012 106.809 108.800 0.035 0.000 2.198 416 G HA2 -0.053 3.907 3.960 0.000 0.000 0.260 416 G HA3 -0.053 3.907 3.960 0.000 0.000 0.260 416 G C 1.679 176.602 174.900 0.038 0.000 1.025 416 G CA 1.664 46.784 45.100 0.033 0.000 0.769 416 G HN 2.101 nan 8.290 nan 0.000 0.507 417 V N -0.556 119.383 119.914 0.042 0.000 2.379 417 V HA 0.223 4.343 4.120 0.000 0.000 0.245 417 V C 2.873 178.992 176.094 0.042 0.000 1.044 417 V CA 2.456 64.785 62.300 0.049 0.000 1.036 417 V CB -0.544 31.314 31.823 0.058 0.000 0.664 417 V HN 1.392 nan 8.190 nan 0.000 0.453 418 A N 0.367 123.208 122.820 0.035 0.000 1.873 418 A HA -0.206 4.114 4.320 0.000 0.000 0.218 418 A C 2.175 179.774 177.584 0.025 0.000 1.193 418 A CA 2.444 54.498 52.037 0.028 0.000 0.629 418 A CB -0.989 18.025 19.000 0.022 0.000 0.826 418 A HN 0.537 nan 8.150 nan 0.000 0.447 419 L N -0.862 120.375 121.223 0.022 0.000 2.042 419 L HA -0.150 4.190 4.340 0.000 0.000 0.210 419 L C 2.396 179.278 176.870 0.021 0.000 1.076 419 L CA 1.856 56.707 54.840 0.018 0.000 0.749 419 L CB -0.840 41.228 42.059 0.016 0.000 0.893 419 L HN 0.500 nan 8.230 nan 0.000 0.432 420 I N -1.268 119.318 120.570 0.027 0.000 2.361 420 I HA -0.272 3.898 4.170 0.000 0.000 0.251 420 I C 2.523 178.658 176.117 0.030 0.000 1.133 420 I CA 0.944 62.261 61.300 0.029 0.000 1.413 420 I CB -0.162 37.860 38.000 0.036 0.000 1.073 420 I HN 0.208 nan 8.210 nan 0.000 0.424 421 R N -0.082 120.438 120.500 0.034 0.000 2.066 421 R HA -0.094 4.246 4.340 0.000 0.000 0.232 421 R C 2.368 178.681 176.300 0.022 0.000 1.131 421 R CA 1.750 57.869 56.100 0.032 0.000 0.955 421 R CB -1.452 28.870 30.300 0.037 0.000 0.851 421 R HN 0.461 nan 8.270 nan 0.000 0.432 422 V N 0.408 120.333 119.914 0.018 0.000 2.759 422 V HA -0.058 4.062 4.120 0.000 0.000 0.256 422 V C 2.126 178.226 176.094 0.010 0.000 1.080 422 V CA 1.855 64.162 62.300 0.012 0.000 1.101 422 V CB -0.577 31.251 31.823 0.008 0.000 0.698 422 V HN 0.224 nan 8.190 nan 0.000 0.477 423 A N 1.373 124.201 122.820 0.012 0.000 1.933 423 A HA -0.147 4.173 4.320 0.000 0.000 0.218 423 A C 2.563 180.153 177.584 0.010 0.000 1.175 423 A CA 2.405 54.449 52.037 0.010 0.000 0.628 423 A CB -0.969 18.038 19.000 0.012 0.000 0.814 423 A HN 1.018 nan 8.150 nan 0.000 0.444 424 S N -0.573 115.135 115.700 0.013 0.000 2.461 424 S HA -0.027 4.443 4.470 0.000 0.000 0.228 424 S C 1.679 176.284 174.600 0.008 0.000 1.005 424 S CA 1.098 59.304 58.200 0.011 0.000 0.942 424 S CB -0.171 63.036 63.200 0.013 0.000 0.776 424 S HN 0.556 nan 8.310 nan 0.000 0.514 425 K N 1.135 121.540 120.400 0.009 0.000 2.147 425 K HA 0.167 4.487 4.320 0.000 0.000 0.205 425 K C 1.342 177.944 176.600 0.005 0.000 1.049 425 K CA 1.061 57.352 56.287 0.007 0.000 0.936 425 K CB -0.317 32.188 32.500 0.007 0.000 0.722 425 K HN 0.422 nan 8.250 nan 0.000 0.446 426 L N -0.223 121.003 121.223 0.005 0.000 2.611 426 L HA 0.206 4.546 4.340 0.000 0.000 0.229 426 L C 1.834 178.705 176.870 0.003 0.000 1.137 426 L CA -0.236 54.606 54.840 0.003 0.000 0.901 426 L CB -0.125 41.935 42.059 0.003 0.000 1.098 426 L HN 0.063 nan 8.230 nan 0.000 0.456 427 A N 0.193 123.015 122.820 0.004 0.000 2.148 427 A HA -0.219 4.101 4.320 0.000 0.000 0.222 427 A C 1.529 179.114 177.584 0.002 0.000 1.161 427 A CA 1.827 53.865 52.037 0.003 0.000 0.662 427 A CB -0.275 18.727 19.000 0.003 0.000 0.799 427 A HN 0.385 nan 8.150 nan 0.000 0.466 428 D N -1.477 118.924 120.400 0.002 0.000 2.398 428 D HA 0.198 4.838 4.640 0.000 0.000 0.210 428 D C -0.077 176.223 176.300 0.001 0.000 1.094 428 D CA -0.315 53.685 54.000 0.001 0.000 0.839 428 D CB 0.100 40.900 40.800 0.001 0.000 0.963 428 D HN 0.284 nan 8.370 nan 0.000 0.506 429 L N 1.671 122.894 121.223 0.001 0.000 2.453 429 L HA 0.172 4.512 4.340 0.000 0.000 0.272 429 L C 0.312 177.182 176.870 0.001 0.000 1.182 429 L CA 0.593 55.433 54.840 0.001 0.000 0.858 429 L CB 0.146 42.205 42.059 0.001 0.000 1.120 429 L HN -0.177 nan 8.230 nan 0.000 0.474 430 R N 2.450 122.950 120.500 0.001 0.000 2.799 430 R HA 0.703 5.043 4.340 0.000 0.000 0.270 430 R C -0.447 175.854 176.300 0.001 0.000 1.010 430 R CA -0.540 55.560 56.100 0.001 0.000 0.916 430 R CB 1.711 32.012 30.300 0.001 0.000 1.228 430 R HN 0.798 nan 8.270 nan 0.000 0.469 431 G N -0.372 108.429 108.800 0.002 0.000 3.075 431 G HA2 0.209 4.169 3.960 0.000 0.000 0.253 431 G HA3 0.209 4.169 3.960 0.000 0.000 0.253 431 G C 0.126 175.028 174.900 0.002 0.000 1.353 431 G CA -0.416 44.685 45.100 0.002 0.000 1.051 431 G HN 0.474 nan 8.290 nan 0.000 0.553 432 Q N -0.188 119.613 119.800 0.002 0.000 2.364 432 Q HA 0.035 4.376 4.340 0.000 0.000 0.209 432 Q C 0.425 176.426 176.000 0.002 0.000 0.977 432 Q CA 1.061 56.866 55.803 0.002 0.000 0.885 432 Q CB -0.201 28.539 28.738 0.003 0.000 0.941 432 Q HN 0.540 nan 8.270 nan 0.000 0.464 433 N N -1.451 117.251 118.700 0.002 0.000 3.127 433 N HA -0.028 4.712 4.740 0.000 0.000 0.239 433 N C -0.181 175.331 175.510 0.002 0.000 1.407 433 N CA -0.410 52.641 53.050 0.002 0.000 0.891 433 N CB 1.030 39.519 38.487 0.002 0.000 1.447 433 N HN -0.141 nan 8.380 nan 0.000 0.507 434 E N 0.469 120.670 120.200 0.002 0.000 2.077 434 E HA -0.132 4.218 4.350 0.000 0.000 0.193 434 E C 0.489 177.091 176.600 0.003 0.000 0.989 434 E CA 1.837 58.238 56.400 0.002 0.000 0.800 434 E CB -0.235 29.466 29.700 0.002 0.000 0.746 434 E HN 0.576 nan 8.360 nan 0.000 0.452 435 D N 0.301 120.703 120.400 0.003 0.000 2.106 435 D HA -0.197 4.443 4.640 0.000 0.000 0.191 435 D C 1.944 178.246 176.300 0.004 0.000 0.997 435 D CA 1.342 55.344 54.000 0.004 0.000 0.834 435 D CB -0.390 40.412 40.800 0.004 0.000 0.956 435 D HN 0.356 nan 8.370 nan 0.000 0.448 436 Q N -0.060 119.743 119.800 0.004 0.000 2.197 436 Q HA -0.157 4.183 4.340 0.000 0.000 0.207 436 Q C 1.747 177.749 176.000 0.004 0.000 0.984 436 Q CA 0.921 56.727 55.803 0.004 0.000 0.869 436 Q CB -0.024 28.716 28.738 0.004 0.000 0.906 436 Q HN 0.271 nan 8.270 nan 0.000 0.426 437 N N -0.355 118.347 118.700 0.003 0.000 2.142 437 N HA -0.111 4.629 4.740 0.000 0.000 0.186 437 N C 1.798 177.310 175.510 0.003 0.000 1.023 437 N CA 1.012 54.063 53.050 0.003 0.000 0.852 437 N CB -0.314 38.174 38.487 0.002 0.000 0.998 437 N HN 0.051 nan 8.380 nan 0.000 0.424 438 V N 0.875 120.791 119.914 0.003 0.000 2.343 438 V HA -0.138 3.982 4.120 0.000 0.000 0.247 438 V C 2.442 178.538 176.094 0.005 0.000 1.051 438 V CA 1.975 64.277 62.300 0.004 0.000 1.036 438 V CB -1.306 30.519 31.823 0.004 0.000 0.654 438 V HN 0.335 nan 8.190 nan 0.000 0.451 439 G N 0.019 108.822 108.800 0.005 0.000 2.446 439 G HA2 -0.256 3.704 3.960 0.000 0.000 0.217 439 G HA3 -0.256 3.704 3.960 0.000 0.000 0.217 439 G C 1.589 176.492 174.900 0.005 0.000 1.168 439 G CA 1.219 46.322 45.100 0.006 0.000 0.771 439 G HN 0.480 nan 8.290 nan 0.000 0.551 440 I N 0.043 120.615 120.570 0.004 0.000 2.127 440 I HA -0.150 4.020 4.170 0.000 0.000 0.241 440 I C 2.777 178.896 176.117 0.004 0.000 1.075 440 I CA 1.300 62.602 61.300 0.004 0.000 1.334 440 I CB -0.116 37.886 38.000 0.003 0.000 1.040 440 I HN 0.020 nan 8.210 nan 0.000 0.405 441 K N 0.455 120.857 120.400 0.004 0.000 2.147 441 K HA -0.103 4.217 4.320 0.000 0.000 0.205 441 K C 1.894 178.497 176.600 0.005 0.000 1.049 441 K CA 0.852 57.142 56.287 0.004 0.000 0.936 441 K CB -0.582 31.920 32.500 0.003 0.000 0.722 441 K HN 0.113 nan 8.250 nan 0.000 0.446 442 V N 0.350 120.267 119.914 0.005 0.000 2.295 442 V HA -0.296 3.824 4.120 0.000 0.000 0.246 442 V C 2.131 178.229 176.094 0.007 0.000 1.049 442 V CA 2.122 64.426 62.300 0.006 0.000 1.024 442 V CB -0.609 31.218 31.823 0.007 0.000 0.648 442 V HN 0.406 nan 8.190 nan 0.000 0.447 443 A N -0.390 122.434 122.820 0.007 0.000 1.873 443 A HA -0.148 4.172 4.320 0.000 0.000 0.215 443 A C 2.150 179.738 177.584 0.006 0.000 1.186 443 A CA 1.827 53.868 52.037 0.007 0.000 0.616 443 A CB -0.588 18.415 19.000 0.005 0.000 0.823 443 A HN 0.509 nan 8.150 nan 0.000 0.442 444 L N -1.160 120.066 121.223 0.006 0.000 2.013 444 L HA -0.266 4.074 4.340 0.000 0.000 0.212 444 L C 2.828 179.702 176.870 0.007 0.000 1.073 444 L CA 2.050 56.894 54.840 0.006 0.000 0.753 444 L CB -0.659 41.404 42.059 0.005 0.000 0.890 444 L HN 0.412 nan 8.230 nan 0.000 0.432 445 R N 0.064 120.568 120.500 0.007 0.000 2.083 445 R HA -0.171 4.169 4.340 0.000 0.000 0.237 445 R C 2.378 178.683 176.300 0.008 0.000 1.137 445 R CA 1.555 57.659 56.100 0.007 0.000 0.951 445 R CB -0.312 29.991 30.300 0.006 0.000 0.851 445 R HN 0.394 nan 8.270 nan 0.000 0.434 446 A N 0.141 122.966 122.820 0.008 0.000 2.070 446 A HA -0.154 4.166 4.320 0.000 0.000 0.220 446 A C 2.010 179.601 177.584 0.011 0.000 1.159 446 A CA 1.125 53.167 52.037 0.010 0.000 0.656 446 A CB -0.352 18.655 19.000 0.011 0.000 0.800 446 A HN 0.323 nan 8.150 nan 0.000 0.453 447 M N -0.507 119.099 119.600 0.010 0.000 2.446 447 M HA -0.134 4.346 4.480 0.000 0.000 0.263 447 M C 1.466 177.775 176.300 0.014 0.000 1.066 447 M CA 1.083 56.389 55.300 0.012 0.000 1.087 447 M CB -0.147 32.459 32.600 0.010 0.000 1.406 447 M HN 0.466 nan 8.290 nan 0.000 0.459 448 E N -0.499 119.708 120.200 0.013 0.000 2.427 448 E HA -0.041 4.309 4.350 0.000 0.000 0.196 448 E C 1.917 178.524 176.600 0.012 0.000 1.028 448 E CA 0.491 56.898 56.400 0.013 0.000 0.864 448 E CB 0.060 29.765 29.700 0.009 0.000 0.813 448 E HN 0.529 nan 8.360 nan 0.000 0.514 449 A N 2.249 125.077 122.820 0.012 0.000 1.858 449 A HA -0.105 4.215 4.320 0.000 0.000 0.216 449 A C -0.291 177.301 177.584 0.014 0.000 1.190 449 A CA 1.068 53.112 52.037 0.011 0.000 0.617 449 A CB -1.432 17.575 19.000 0.012 0.000 0.827 449 A HN 0.113 nan 8.150 nan 0.000 0.443 450 P HA -0.171 nan 4.420 nan 0.000 0.216 450 P C 1.749 179.063 177.300 0.023 0.000 1.150 450 P CA 1.011 64.123 63.100 0.020 0.000 0.843 450 P CB -0.086 31.627 31.700 0.022 0.000 0.787 451 L N -1.031 120.206 121.223 0.024 0.000 2.072 451 L HA -0.105 4.235 4.340 0.000 0.000 0.205 451 L C 2.337 179.216 176.870 0.015 0.000 1.079 451 L CA 1.560 56.418 54.840 0.029 0.000 0.752 451 L CB -0.184 41.895 42.059 0.034 0.000 0.906 451 L HN -0.202 nan 8.230 nan 0.000 0.436 452 R N -0.704 119.800 120.500 0.006 0.000 2.115 452 R HA -0.137 4.203 4.340 0.000 0.000 0.230 452 R C 2.346 178.645 176.300 -0.001 0.000 1.111 452 R CA 1.106 57.203 56.100 -0.005 0.000 0.976 452 R CB -0.170 30.128 30.300 -0.004 0.000 0.870 452 R HN 0.403 nan 8.270 nan 0.000 0.445 453 Q N 0.312 120.117 119.800 0.007 0.000 2.167 453 Q HA -0.056 4.284 4.340 0.000 0.000 0.202 453 Q C 2.102 178.111 176.000 0.015 0.000 0.970 453 Q CA 1.201 57.010 55.803 0.009 0.000 0.855 453 Q CB 0.076 28.821 28.738 0.011 0.000 0.911 453 Q HN 0.426 nan 8.270 nan 0.000 0.438 454 I N -0.244 120.340 120.570 0.023 0.000 2.252 454 I HA -0.228 3.942 4.170 0.000 0.000 0.245 454 I C 2.171 178.315 176.117 0.045 0.000 1.102 454 I CA 0.753 62.075 61.300 0.038 0.000 1.385 454 I CB -0.151 37.881 38.000 0.053 0.000 1.064 454 I HN -0.017 nan 8.210 nan 0.000 0.414 455 V N 0.547 120.478 119.914 0.028 0.000 2.427 455 V HA -0.249 3.871 4.120 0.000 0.000 0.248 455 V C 2.334 178.428 176.094 -0.000 0.000 1.051 455 V CA 1.243 63.546 62.300 0.004 0.000 1.048 455 V CB -0.383 31.393 31.823 -0.080 0.000 0.666 455 V HN 0.313 nan 8.190 nan 0.000 0.456 456 L N 0.381 121.602 121.223 -0.003 0.000 2.201 456 L HA -0.096 4.244 4.340 0.000 0.000 0.212 456 L C 1.952 178.825 176.870 0.006 0.000 1.105 456 L CA 1.824 56.663 54.840 -0.002 0.000 0.775 456 L CB -1.011 41.047 42.059 -0.002 0.000 0.913 456 L HN 0.392 nan 8.230 nan 0.000 0.440 457 N N -2.359 116.348 118.700 0.012 0.000 2.463 457 N HA -0.094 4.646 4.740 0.000 0.000 0.181 457 N C 1.250 176.770 175.510 0.017 0.000 1.078 457 N CA 0.776 53.834 53.050 0.013 0.000 0.902 457 N CB 0.066 38.561 38.487 0.014 0.000 0.970 457 N HN 0.368 nan 8.380 nan 0.000 0.451 458 C N -0.097 119.219 119.300 0.027 0.000 2.791 458 C HA 0.284 4.744 4.460 0.000 0.000 0.270 458 C C 1.613 176.617 174.990 0.023 0.000 1.257 458 C CA -0.270 58.768 59.018 0.033 0.000 1.699 458 C CB -0.809 26.972 27.740 0.069 0.000 1.904 458 C HN 0.568 nan 8.230 nan 0.000 0.603 459 G N 1.823 110.631 108.800 0.013 0.000 2.198 459 G HA2 -0.225 3.735 3.960 0.000 0.000 0.260 459 G HA3 -0.225 3.735 3.960 0.000 0.000 0.260 459 G C -0.234 174.669 174.900 0.005 0.000 1.025 459 G CA 0.629 45.733 45.100 0.007 0.000 0.769 459 G HN 0.638 nan 8.290 nan 0.000 0.507 460 E N -0.514 119.686 120.200 -0.001 0.000 2.450 460 E HA 0.559 4.909 4.350 0.000 0.000 0.248 460 E C -0.120 176.457 176.600 -0.038 0.000 0.930 460 E CA -0.920 55.469 56.400 -0.018 0.000 0.854 460 E CB 0.888 30.570 29.700 -0.029 0.000 1.355 460 E HN 0.369 nan 8.360 nan 0.000 0.402 461 E N 1.671 121.838 120.200 -0.054 0.000 2.046 461 E HA 0.129 4.479 4.350 0.000 0.000 0.279 461 E C -2.037 174.524 176.600 -0.066 0.000 0.989 461 E CA -1.740 54.632 56.400 -0.045 0.000 0.798 461 E CB 0.961 30.643 29.700 -0.030 0.000 1.086 461 E HN 0.220 nan 8.360 nan 0.000 0.399 462 P HA -0.260 nan 4.420 nan 0.000 0.218 462 P C 1.248 178.519 177.300 -0.049 0.000 1.154 462 P CA 1.527 64.594 63.100 -0.054 0.000 0.872 462 P CB 0.155 31.838 31.700 -0.029 0.000 0.790 463 S N -2.354 113.325 115.700 -0.035 0.000 2.528 463 S HA 0.036 4.506 4.470 0.000 0.000 0.219 463 S C 1.906 176.489 174.600 -0.027 0.000 0.985 463 S CA 0.198 58.383 58.200 -0.025 0.000 0.914 463 S CB -1.094 62.096 63.200 -0.016 0.000 0.776 463 S HN -0.046 nan 8.310 nan 0.000 0.526 464 V N 1.495 121.388 119.914 -0.035 0.000 2.331 464 V HA -0.066 4.054 4.120 0.000 0.000 0.242 464 V C 2.510 178.583 176.094 -0.034 0.000 1.034 464 V CA 1.207 63.489 62.300 -0.029 0.000 1.027 464 V CB -0.519 31.292 31.823 -0.020 0.000 0.667 464 V HN 0.386 nan 8.190 nan 0.000 0.457 465 V N 0.486 120.350 119.914 -0.083 0.000 2.231 465 V HA -0.329 3.791 4.120 0.000 0.000 0.248 465 V C 2.764 178.835 176.094 -0.039 0.000 1.054 465 V CA 2.394 64.626 62.300 -0.112 0.000 1.015 465 V CB -1.231 30.349 31.823 -0.404 0.000 0.638 465 V HN 0.571 nan 8.190 nan 0.000 0.444 466 A N 0.169 122.964 122.820 -0.042 0.000 1.903 466 A HA -0.337 3.983 4.320 0.000 0.000 0.219 466 A C 2.032 179.615 177.584 -0.001 0.000 1.191 466 A CA 2.536 54.568 52.037 -0.009 0.000 0.638 466 A CB -0.947 18.049 19.000 -0.008 0.000 0.823 466 A HN 0.617 nan 8.150 nan 0.000 0.451 467 N N -0.401 118.292 118.700 -0.012 0.000 2.061 467 N HA -0.162 4.578 4.740 0.000 0.000 0.193 467 N C 2.031 177.529 175.510 -0.020 0.000 1.030 467 N CA 2.499 55.541 53.050 -0.013 0.000 0.856 467 N CB -0.865 37.612 38.487 -0.017 0.000 1.023 467 N HN 0.751 nan 8.380 nan 0.000 0.424 468 T N -1.806 112.717 114.554 -0.052 0.000 2.904 468 T HA -0.009 4.341 4.350 0.000 0.000 0.267 468 T C 2.022 176.716 174.700 -0.010 0.000 1.059 468 T CA 1.039 63.076 62.100 -0.105 0.000 1.137 468 T CB -0.644 68.036 68.868 -0.314 0.000 0.879 468 T HN -0.055 nan 8.240 nan 0.000 0.467 469 V N 1.607 121.528 119.914 0.012 0.000 2.407 469 V HA -0.104 4.016 4.120 0.000 0.000 0.248 469 V C 2.837 179.007 176.094 0.126 0.000 1.055 469 V CA 1.783 64.140 62.300 0.096 0.000 1.049 469 V CB -0.636 31.236 31.823 0.081 0.000 0.662 469 V HN 0.498 nan 8.190 nan 0.000 0.455 470 K N 0.338 120.775 120.400 0.063 0.000 2.097 470 K HA -0.104 4.216 4.320 0.000 0.000 0.206 470 K C 2.158 178.785 176.600 0.045 0.000 1.049 470 K CA 1.371 57.687 56.287 0.049 0.000 0.933 470 K CB -0.575 31.939 32.500 0.024 0.000 0.717 470 K HN 0.562 nan 8.250 nan 0.000 0.442 471 G N 0.538 109.359 108.800 0.034 0.000 2.559 471 G HA2 -0.094 3.866 3.960 0.000 0.000 0.216 471 G HA3 -0.094 3.866 3.960 0.000 0.000 0.216 471 G C 0.755 175.641 174.900 -0.023 0.000 1.126 471 G CA 0.700 45.802 45.100 0.003 0.000 0.778 471 G HN 0.373 nan 8.290 nan 0.000 0.543 472 G N -0.985 107.834 108.800 0.033 0.000 2.714 472 G HA2 0.504 4.464 3.960 0.000 0.000 0.197 472 G HA3 0.504 4.464 3.960 0.000 0.000 0.197 472 G C -1.159 173.740 174.900 -0.003 0.000 1.449 472 G CA -0.288 44.759 45.100 -0.087 0.000 1.065 472 G HN 0.110 nan 8.290 nan 0.000 0.575 473 D N -2.574 117.834 120.400 0.012 0.000 2.736 473 D HA 0.491 5.131 4.640 0.000 0.000 0.223 473 D C 0.850 177.188 176.300 0.063 0.000 1.231 473 D CA 0.690 54.702 54.000 0.019 0.000 0.818 473 D CB 1.672 42.452 40.800 -0.034 0.000 1.587 473 D HN 0.868 nan 8.370 nan 0.000 0.463 474 G N 2.400 111.231 108.800 0.051 0.000 2.698 474 G HA2 -0.380 3.580 3.960 0.000 0.000 0.337 474 G HA3 -0.380 3.580 3.960 0.000 0.000 0.337 474 G C 0.433 175.384 174.900 0.086 0.000 1.196 474 G CA 0.760 45.894 45.100 0.057 0.000 0.965 474 G HN 0.626 nan 8.290 nan 0.000 0.550 475 N N -0.389 118.374 118.700 0.105 0.000 2.338 475 N HA 0.306 5.046 4.740 0.000 0.000 0.251 475 N C -0.388 175.226 175.510 0.173 0.000 1.199 475 N CA -0.346 52.770 53.050 0.110 0.000 0.879 475 N CB 0.709 39.242 38.487 0.077 0.000 1.159 475 N HN 0.434 nan 8.380 nan 0.000 0.514 476 Y N 1.659 121.988 120.300 0.049 0.000 2.425 476 Y HA 0.428 4.978 4.550 0.000 0.000 0.331 476 Y C 0.571 176.536 175.900 0.108 0.000 1.157 476 Y CA 0.207 58.351 58.100 0.073 0.000 1.372 476 Y CB 0.462 38.956 38.460 0.055 0.000 1.253 476 Y HN 0.052 nan 8.280 nan 0.000 0.536 477 G N 3.895 112.590 108.800 -0.176 0.000 2.663 477 G HA2 0.296 4.256 3.960 0.000 0.000 0.299 477 G HA3 0.296 4.256 3.960 0.000 0.000 0.299 477 G C -2.497 172.370 174.900 -0.055 0.000 1.372 477 G CA -0.910 44.133 45.100 -0.095 0.000 0.781 477 G HN 0.553 nan 8.290 nan 0.000 0.491 478 Y N 1.402 121.637 120.300 -0.108 0.000 2.341 478 Y HA 0.600 5.150 4.550 0.000 0.000 0.337 478 Y C -0.146 175.639 175.900 -0.191 0.000 1.014 478 Y CA -1.532 56.443 58.100 -0.209 0.000 1.111 478 Y CB 1.654 40.012 38.460 -0.169 0.000 1.194 478 Y HN 0.420 nan 8.280 nan 0.000 0.462 479 N N 4.786 122.986 118.700 -0.833 0.000 2.500 479 N HA 0.214 4.954 4.740 0.000 0.000 0.236 479 N C 0.346 175.269 175.510 -0.977 0.000 1.022 479 N CA 0.509 53.170 53.050 -0.648 0.000 0.935 479 N CB 1.370 39.606 38.487 -0.419 0.000 1.147 479 N HN 0.918 nan 8.380 nan 0.000 0.512 480 A N 3.636 126.109 122.820 -0.579 0.000 2.019 480 A HA -0.046 4.274 4.320 0.000 0.000 0.219 480 A C 1.992 179.440 177.584 -0.226 0.000 1.164 480 A CA 1.701 53.550 52.037 -0.312 0.000 0.644 480 A CB -0.389 18.618 19.000 0.012 0.000 0.805 480 A HN 0.696 nan 8.150 nan 0.000 0.449 481 A N -0.505 122.190 122.820 -0.208 0.000 1.929 481 A HA 0.012 4.332 4.320 0.000 0.000 0.216 481 A C 2.135 179.622 177.584 -0.161 0.000 1.176 481 A CA 2.025 53.978 52.037 -0.140 0.000 0.628 481 A CB -0.794 18.143 19.000 -0.105 0.000 0.816 481 A HN 0.764 nan 8.150 nan 0.000 0.444 482 T N -1.903 112.511 114.554 -0.234 0.000 3.134 482 T HA 0.210 4.560 4.350 0.000 0.000 0.260 482 T C 0.257 174.812 174.700 -0.241 0.000 1.027 482 T CA 0.508 62.493 62.100 -0.192 0.000 0.913 482 T CB -0.397 68.371 68.868 -0.168 0.000 1.046 482 T HN 0.641 nan 8.240 nan 0.000 0.553 483 E N 1.563 121.555 120.200 -0.346 0.000 2.360 483 E HA -0.281 4.069 4.350 0.000 0.000 0.236 483 E C -0.391 175.957 176.600 -0.420 0.000 1.312 483 E CA 1.042 57.206 56.400 -0.393 0.000 0.714 483 E CB -2.222 27.446 29.700 -0.053 0.000 1.202 483 E HN 0.951 nan 8.360 nan 0.000 0.386 484 E N -0.461 119.419 120.200 -0.533 0.000 2.312 484 E HA 0.527 4.877 4.350 0.000 0.000 0.267 484 E C -0.729 175.592 176.600 -0.465 0.000 0.894 484 E CA -1.108 55.050 56.400 -0.403 0.000 0.773 484 E CB 0.839 30.454 29.700 -0.141 0.000 1.241 484 E HN 0.093 nan 8.360 nan 0.000 0.432 485 Y N 0.217 120.494 120.300 -0.039 0.000 2.326 485 Y HA 0.548 5.098 4.550 0.000 0.000 0.333 485 Y C 1.118 176.978 175.900 -0.067 0.000 1.240 485 Y CA 0.916 58.945 58.100 -0.117 0.000 1.365 485 Y CB 1.527 39.912 38.460 -0.126 0.000 1.289 485 Y HN 0.819 nan 8.280 nan 0.000 0.548 486 G N 0.843 109.669 108.800 0.044 0.000 2.341 486 G HA2 0.015 3.975 3.960 0.000 0.000 0.299 486 G HA3 0.015 3.975 3.960 0.000 0.000 0.299 486 G C -1.885 173.105 174.900 0.150 0.000 1.274 486 G CA -1.172 44.018 45.100 0.149 0.000 0.853 486 G HN 0.515 nan 8.290 nan 0.000 0.493 487 N N 1.099 119.883 118.700 0.140 0.000 2.411 487 N HA 0.117 4.857 4.740 0.000 0.000 0.259 487 N C 1.690 177.233 175.510 0.055 0.000 1.103 487 N CA -0.458 52.660 53.050 0.114 0.000 0.954 487 N CB 0.855 39.398 38.487 0.095 0.000 1.085 487 N HN 0.386 nan 8.380 nan 0.000 0.485 488 M N 3.512 123.140 119.600 0.046 0.000 2.159 488 M HA -0.138 4.342 4.480 0.000 0.000 0.263 488 M C 1.605 177.915 176.300 0.016 0.000 1.063 488 M CA 1.001 56.311 55.300 0.017 0.000 1.110 488 M CB -0.512 32.099 32.600 0.018 0.000 1.374 488 M HN 0.531 nan 8.290 nan 0.000 0.411 489 I N 0.675 121.260 120.570 0.026 0.000 2.252 489 I HA -0.244 3.926 4.170 0.000 0.000 0.245 489 I C 1.846 177.972 176.117 0.015 0.000 1.102 489 I CA 1.360 62.671 61.300 0.019 0.000 1.385 489 I CB -1.354 36.659 38.000 0.022 0.000 1.064 489 I HN 0.251 nan 8.210 nan 0.000 0.414 490 D N 0.793 121.205 120.400 0.020 0.000 2.144 490 D HA -0.148 4.492 4.640 0.000 0.000 0.199 490 D C 2.098 178.401 176.300 0.006 0.000 0.984 490 D CA 1.110 55.120 54.000 0.015 0.000 0.834 490 D CB -0.116 40.698 40.800 0.023 0.000 0.955 490 D HN 0.343 nan 8.370 nan 0.000 0.465 491 M N -0.348 119.253 119.600 0.000 0.000 2.628 491 M HA 0.141 4.621 4.480 0.000 0.000 0.232 491 M C 1.049 177.339 176.300 -0.017 0.000 1.128 491 M CA 0.392 55.683 55.300 -0.015 0.000 1.040 491 M CB 0.127 32.707 32.600 -0.033 0.000 1.608 491 M HN -0.007 nan 8.290 nan 0.000 0.507 492 G N 2.325 111.120 108.800 -0.008 0.000 2.258 492 G HA2 -0.254 3.706 3.960 0.000 0.000 0.274 492 G HA3 -0.254 3.706 3.960 0.000 0.000 0.274 492 G C 0.127 175.021 174.900 -0.009 0.000 1.021 492 G CA 0.027 45.123 45.100 -0.007 0.000 0.798 492 G HN 0.609 nan 8.290 nan 0.000 0.507 493 I N 1.098 121.661 120.570 -0.012 0.000 2.243 493 I HA 0.300 4.470 4.170 0.000 0.000 0.289 493 I C 0.542 176.659 176.117 -0.001 0.000 1.140 493 I CA -0.299 60.994 61.300 -0.012 0.000 1.289 493 I CB 0.102 38.087 38.000 -0.024 0.000 1.498 493 I HN 0.009 nan 8.210 nan 0.000 0.561 494 L N 3.548 124.773 121.223 0.004 0.000 2.282 494 L HA 0.490 4.830 4.340 0.000 0.000 0.288 494 L C -0.416 176.461 176.870 0.012 0.000 1.033 494 L CA -0.802 54.044 54.840 0.009 0.000 0.807 494 L CB 1.243 43.308 42.059 0.010 0.000 1.209 494 L HN 0.280 nan 8.230 nan 0.000 0.423 495 D N 3.763 124.172 120.400 0.015 0.000 2.210 495 D HA 0.320 4.960 4.640 0.000 0.000 0.249 495 D C -2.380 173.931 176.300 0.019 0.000 1.062 495 D CA -1.461 52.550 54.000 0.018 0.000 0.891 495 D CB 1.511 42.322 40.800 0.018 0.000 1.186 495 D HN 0.214 nan 8.370 nan 0.000 0.432 496 P HA 0.116 nan 4.420 nan 0.000 0.276 496 P C 0.678 177.990 177.300 0.020 0.000 1.235 496 P CA -0.205 62.909 63.100 0.023 0.000 0.772 496 P CB 0.784 32.503 31.700 0.031 0.000 0.871 497 T N 2.701 117.265 114.554 0.016 0.000 2.607 497 T HA -0.231 4.119 4.350 0.000 0.000 0.267 497 T C 1.623 176.328 174.700 0.009 0.000 1.049 497 T CA 1.468 63.575 62.100 0.011 0.000 1.162 497 T CB -0.524 68.349 68.868 0.008 0.000 0.863 497 T HN 0.505 nan 8.240 nan 0.000 0.424 498 K N 0.894 121.301 120.400 0.012 0.000 2.242 498 K HA -0.180 4.140 4.320 0.000 0.000 0.206 498 K C 2.271 178.883 176.600 0.019 0.000 1.045 498 K CA 1.668 57.962 56.287 0.013 0.000 0.930 498 K CB -0.350 32.165 32.500 0.025 0.000 0.726 498 K HN 0.377 nan 8.250 nan 0.000 0.462 499 V N -1.018 118.912 119.914 0.027 0.000 2.446 499 V HA -0.107 4.013 4.120 0.000 0.000 0.244 499 V C 1.730 177.839 176.094 0.023 0.000 1.039 499 V CA 2.060 64.380 62.300 0.035 0.000 1.045 499 V CB -0.460 31.387 31.823 0.040 0.000 0.681 499 V HN 0.303 nan 8.190 nan 0.000 0.459 500 T N 0.857 115.420 114.554 0.016 0.000 2.759 500 T HA -0.167 4.183 4.350 0.000 0.000 0.269 500 T C 2.049 176.746 174.700 -0.006 0.000 1.042 500 T CA 2.048 64.154 62.100 0.010 0.000 1.140 500 T CB -0.417 68.457 68.868 0.010 0.000 0.864 500 T HN 0.527 nan 8.240 nan 0.000 0.455 501 R N 0.890 121.379 120.500 -0.018 0.000 2.073 501 R HA 0.021 4.361 4.340 0.000 0.000 0.229 501 R C 2.393 178.633 176.300 -0.099 0.000 1.120 501 R CA 1.399 57.470 56.100 -0.049 0.000 0.967 501 R CB -0.532 29.739 30.300 -0.048 0.000 0.862 501 R HN 0.284 nan 8.270 nan 0.000 0.436 502 S N 1.075 116.721 115.700 -0.090 0.000 2.355 502 S HA -0.054 4.416 4.470 0.000 0.000 0.222 502 S C 2.104 176.664 174.600 -0.066 0.000 1.031 502 S CA 1.069 59.163 58.200 -0.176 0.000 0.993 502 S CB -0.338 62.879 63.200 0.027 0.000 0.859 502 S HN 0.535 nan 8.310 nan 0.000 0.453 503 A N 2.318 125.170 122.820 0.055 0.000 1.870 503 A HA -0.204 4.116 4.320 0.000 0.000 0.219 503 A C 2.103 179.704 177.584 0.030 0.000 1.224 503 A CA 1.814 53.895 52.037 0.072 0.000 0.650 503 A CB -1.206 17.823 19.000 0.050 0.000 0.836 503 A HN 0.451 nan 8.150 nan 0.000 0.454 504 L N -0.859 120.356 121.223 -0.013 0.000 1.971 504 L HA -0.313 4.027 4.340 0.000 0.000 0.215 504 L C 2.920 179.760 176.870 -0.051 0.000 1.072 504 L CA 2.541 57.366 54.840 -0.024 0.000 0.758 504 L CB -0.810 41.230 42.059 -0.032 0.000 0.889 504 L HN 0.604 nan 8.230 nan 0.000 0.433 505 Q N -1.122 118.592 119.800 -0.144 0.000 1.985 505 Q HA -0.276 4.064 4.340 0.000 0.000 0.207 505 Q C 2.080 177.999 176.000 -0.136 0.000 0.996 505 Q CA 2.353 58.026 55.803 -0.215 0.000 0.851 505 Q CB -0.402 28.089 28.738 -0.411 0.000 0.921 505 Q HN 0.477 nan 8.270 nan 0.000 0.418 506 Y N -0.050 120.253 120.300 0.006 0.000 2.165 506 Y HA -0.229 4.321 4.550 0.000 0.000 0.286 506 Y C 2.334 178.237 175.900 0.005 0.000 1.155 506 Y CA 1.011 59.114 58.100 0.005 0.000 1.164 506 Y CB -0.957 37.505 38.460 0.003 0.000 0.978 506 Y HN 0.188 nan 8.280 nan 0.000 0.513 507 A N -0.132 122.782 122.820 0.156 0.000 1.872 507 A HA -0.009 4.311 4.320 0.000 0.000 0.214 507 A C 2.514 180.136 177.584 0.064 0.000 1.187 507 A CA 1.636 53.730 52.037 0.094 0.000 0.614 507 A CB -1.248 17.792 19.000 0.066 0.000 0.826 507 A HN 0.366 nan 8.150 nan 0.000 0.442 508 A N -0.618 122.228 122.820 0.043 0.000 1.892 508 A HA -0.185 4.135 4.320 0.000 0.000 0.218 508 A C 2.472 180.079 177.584 0.038 0.000 1.188 508 A CA 2.368 54.422 52.037 0.029 0.000 0.631 508 A CB -1.215 17.791 19.000 0.010 0.000 0.822 508 A HN 0.545 nan 8.150 nan 0.000 0.447 509 S N -1.078 114.654 115.700 0.054 0.000 2.372 509 S HA -0.205 4.265 4.470 0.000 0.000 0.227 509 S C 2.037 176.675 174.600 0.063 0.000 1.044 509 S CA 2.391 60.630 58.200 0.066 0.000 1.050 509 S CB -0.733 62.535 63.200 0.115 0.000 0.901 509 S HN 1.053 nan 8.310 nan 0.000 0.447 510 V N 0.907 120.863 119.914 0.069 0.000 2.300 510 V HA 0.195 4.315 4.120 0.000 0.000 0.241 510 V C 2.427 178.544 176.094 0.038 0.000 1.034 510 V CA 1.731 64.061 62.300 0.049 0.000 1.021 510 V CB -1.467 30.381 31.823 0.042 0.000 0.662 510 V HN 0.495 nan 8.190 nan 0.000 0.458 511 A N 0.956 123.799 122.820 0.038 0.000 1.940 511 A HA -0.173 4.147 4.320 0.000 0.000 0.221 511 A C 2.459 180.059 177.584 0.026 0.000 1.190 511 A CA 2.797 54.852 52.037 0.029 0.000 0.647 511 A CB -1.871 17.146 19.000 0.028 0.000 0.821 511 A HN 0.988 nan 8.150 nan 0.000 0.457 512 G N -0.378 108.438 108.800 0.027 0.000 2.553 512 G HA2 -0.290 3.670 3.960 0.000 0.000 0.218 512 G HA3 -0.290 3.670 3.960 0.000 0.000 0.218 512 G C 1.591 176.505 174.900 0.024 0.000 1.195 512 G CA 1.252 46.366 45.100 0.023 0.000 0.779 512 G HN 0.467 nan 8.290 nan 0.000 0.577 513 L N -0.289 120.950 121.223 0.026 0.000 1.994 513 L HA -0.082 4.258 4.340 0.000 0.000 0.208 513 L C 3.172 180.057 176.870 0.025 0.000 1.071 513 L CA 1.266 56.121 54.840 0.025 0.000 0.745 513 L CB -0.294 41.781 42.059 0.026 0.000 0.892 513 L HN 0.243 nan 8.230 nan 0.000 0.431 514 M N -0.203 119.413 119.600 0.025 0.000 2.146 514 M HA -0.274 4.206 4.480 0.000 0.000 0.256 514 M C 2.097 178.412 176.300 0.024 0.000 1.075 514 M CA 1.962 57.277 55.300 0.025 0.000 1.082 514 M CB -0.548 32.067 32.600 0.025 0.000 1.355 514 M HN 0.400 nan 8.290 nan 0.000 0.402 515 I N -2.636 117.947 120.570 0.023 0.000 3.564 515 I HA -0.004 4.166 4.170 0.000 0.000 0.294 515 I C 1.455 177.585 176.117 0.022 0.000 1.289 515 I CA 1.005 62.318 61.300 0.021 0.000 1.325 515 I CB -0.535 37.476 38.000 0.018 0.000 1.039 515 I HN 0.159 nan 8.210 nan 0.000 0.474 516 T N -2.552 112.017 114.554 0.024 0.000 3.134 516 T HA 0.199 4.549 4.350 0.000 0.000 0.260 516 T C 0.650 175.368 174.700 0.031 0.000 1.027 516 T CA -0.266 61.850 62.100 0.026 0.000 0.913 516 T CB -0.762 68.121 68.868 0.024 0.000 1.046 516 T HN 0.195 nan 8.240 nan 0.000 0.553 517 T N 2.913 117.486 114.554 0.032 0.000 2.871 517 T HA 0.145 4.495 4.350 0.000 0.000 0.296 517 T C 0.847 175.575 174.700 0.046 0.000 0.998 517 T CA 0.317 62.439 62.100 0.038 0.000 1.162 517 T CB 1.043 69.932 68.868 0.034 0.000 0.947 517 T HN 0.489 nan 8.240 nan 0.000 0.536 518 E N 0.928 121.166 120.200 0.064 0.000 2.536 518 E HA 0.193 4.543 4.350 0.000 0.000 0.220 518 E C 0.025 176.717 176.600 0.152 0.000 0.876 518 E CA -0.140 56.318 56.400 0.097 0.000 1.190 518 E CB 0.581 30.340 29.700 0.098 0.000 1.191 518 E HN 0.624 nan 8.360 nan 0.000 0.557 519 C N 0.422 119.779 119.300 0.094 0.000 2.802 519 C HA 0.804 5.264 4.460 0.000 0.000 0.307 519 C C -1.429 173.532 174.990 -0.047 0.000 1.222 519 C CA -0.609 58.400 59.018 -0.015 0.000 1.580 519 C CB 0.716 28.467 27.740 0.018 0.000 2.119 519 C HN 0.392 nan 8.230 nan 0.000 0.479 520 M N 4.434 123.977 119.600 -0.095 0.000 2.324 520 M HA 0.532 5.012 4.480 0.000 0.000 0.288 520 M C -1.288 175.066 176.300 0.091 0.000 1.097 520 M CA -0.383 54.951 55.300 0.056 0.000 0.928 520 M CB 2.129 34.850 32.600 0.201 0.000 1.648 520 M HN 0.415 nan 8.290 nan 0.000 0.460 521 V N 1.395 121.327 119.914 0.029 0.000 2.680 521 V HA 0.932 5.052 4.120 0.000 0.000 0.309 521 V C -0.203 175.837 176.094 -0.089 0.000 1.052 521 V CA -0.294 61.994 62.300 -0.020 0.000 0.908 521 V CB 2.162 33.962 31.823 -0.038 0.000 1.001 521 V HN 0.973 nan 8.190 nan 0.000 0.431 522 T N 1.937 116.399 114.554 -0.154 0.000 2.660 522 T HA 0.272 4.622 4.350 0.000 0.000 0.299 522 T C -1.942 172.634 174.700 -0.206 0.000 1.763 522 T CA -0.484 61.472 62.100 -0.239 0.000 0.959 522 T CB 1.567 70.159 68.868 -0.459 0.000 1.935 522 T HN 0.611 nan 8.240 nan 0.000 0.470 523 D N 0.780 121.058 120.400 -0.203 0.000 2.388 523 D HA 0.546 5.186 4.640 0.000 0.000 0.254 523 D C -0.026 176.206 176.300 -0.113 0.000 1.111 523 D CA -0.285 53.640 54.000 -0.126 0.000 0.993 523 D CB 0.609 41.351 40.800 -0.098 0.000 1.118 523 D HN 0.477 nan 8.370 nan 0.000 0.502 524 L N 2.277 123.464 121.223 -0.061 0.000 2.426 524 L HA 0.228 4.568 4.340 0.000 0.000 0.271 524 L C -1.473 175.375 176.870 -0.036 0.000 1.169 524 L CA -1.371 53.449 54.840 -0.033 0.000 0.836 524 L CB 0.289 42.340 42.059 -0.012 0.000 1.112 524 L HN 0.324 nan 8.230 nan 0.000 0.465 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.091 63.100 -0.016 0.000 0.800 525 P CB 0.000 31.703 31.700 0.005 0.000 0.726