REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1xck_1_F 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 0.000 177.582 177.584 -0.003 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 3 A N 1.942 124.762 122.820 0.001 0.000 2.567 3 A HA 0.500 4.820 4.320 -0.000 0.000 0.240 3 A C 0.333 177.919 177.584 0.003 0.000 1.053 3 A CA 0.486 52.528 52.037 0.007 0.000 0.755 3 A CB -0.126 18.881 19.000 0.011 0.000 0.978 3 A HN 0.614 nan 8.150 nan 0.000 0.507 4 K N 1.263 121.670 120.400 0.011 0.000 2.211 4 K HA 0.449 4.769 4.320 -0.000 0.000 0.237 4 K C -1.068 175.553 176.600 0.036 0.000 1.002 4 K CA -0.688 55.603 56.287 0.007 0.000 0.885 4 K CB 1.321 33.825 32.500 0.006 0.000 1.136 4 K HN 0.718 nan 8.250 nan 0.000 0.448 5 D N 0.986 121.415 120.400 0.049 0.000 2.425 5 D HA 0.306 4.946 4.640 -0.000 0.000 0.240 5 D C -1.285 175.153 176.300 0.229 0.000 1.080 5 D CA -0.557 53.531 54.000 0.146 0.000 0.836 5 D CB 1.096 42.005 40.800 0.182 0.000 1.125 5 D HN 0.050 nan 8.370 nan 0.000 0.525 6 V N 4.413 124.413 119.914 0.143 0.000 2.459 6 V HA 0.473 4.593 4.120 -0.000 0.000 0.295 6 V C 0.268 176.264 176.094 -0.164 0.000 1.029 6 V CA -0.735 61.559 62.300 -0.011 0.000 0.874 6 V CB 1.704 33.468 31.823 -0.098 0.000 0.985 6 V HN 0.365 nan 8.190 nan 0.000 0.438 7 K N 3.585 123.761 120.400 -0.373 0.000 2.316 7 K HA 0.732 5.052 4.320 -0.000 0.000 0.251 7 K C -1.524 174.728 176.600 -0.581 0.000 0.934 7 K CA -0.466 55.547 56.287 -0.456 0.000 0.802 7 K CB 2.368 34.417 32.500 -0.751 0.000 1.171 7 K HN 0.456 nan 8.250 nan 0.000 0.426 8 F N -0.182 119.709 119.950 -0.099 0.000 2.575 8 F HA 0.402 4.929 4.527 -0.000 0.000 0.330 8 F C 1.407 177.170 175.800 -0.061 0.000 1.056 8 F CA -0.093 57.873 58.000 -0.056 0.000 0.964 8 F CB 1.285 40.264 39.000 -0.036 0.000 1.258 8 F HN 0.811 nan 8.300 nan 0.000 0.484 9 G N 1.431 110.338 108.800 0.178 0.000 2.627 9 G HA2 -0.465 3.495 3.960 -0.000 0.000 0.400 9 G HA3 -0.465 3.495 3.960 -0.000 0.000 0.400 9 G C 1.333 176.250 174.900 0.028 0.000 1.334 9 G CA 1.014 46.163 45.100 0.082 0.000 0.960 9 G HN 0.828 nan 8.290 nan 0.000 0.533 10 N N 0.520 119.231 118.700 0.018 0.000 2.091 10 N HA -0.215 4.525 4.740 -0.000 0.000 0.193 10 N C 1.902 177.397 175.510 -0.025 0.000 1.021 10 N CA 2.479 55.527 53.050 -0.002 0.000 0.862 10 N CB -0.392 38.094 38.487 -0.001 0.000 1.018 10 N HN 0.597 nan 8.380 nan 0.000 0.429 11 D N 0.135 120.515 120.400 -0.032 0.000 2.123 11 D HA -0.093 4.547 4.640 -0.000 0.000 0.196 11 D C 1.816 178.031 176.300 -0.141 0.000 0.992 11 D CA 1.605 55.558 54.000 -0.078 0.000 0.833 11 D CB -0.303 40.451 40.800 -0.076 0.000 0.954 11 D HN 0.399 nan 8.370 nan 0.000 0.455 12 A N 0.280 123.013 122.820 -0.145 0.000 1.873 12 A HA -0.106 4.214 4.320 -0.000 0.000 0.215 12 A C 2.334 179.869 177.584 -0.082 0.000 1.186 12 A CA 1.330 53.256 52.037 -0.185 0.000 0.616 12 A CB -0.475 18.435 19.000 -0.150 0.000 0.823 12 A HN 0.200 nan 8.150 nan 0.000 0.442 13 R N -0.211 120.264 120.500 -0.042 0.000 2.096 13 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 13 R C 2.140 178.433 176.300 -0.012 0.000 1.127 13 R CA 1.668 57.760 56.100 -0.014 0.000 0.968 13 R CB -0.736 29.561 30.300 -0.004 0.000 0.861 13 R HN 0.601 nan 8.270 nan 0.000 0.440 14 V N -0.520 119.380 119.914 -0.022 0.000 2.427 14 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 14 V C 1.972 178.063 176.094 -0.006 0.000 1.051 14 V CA 1.405 63.697 62.300 -0.014 0.000 1.048 14 V CB -0.419 31.393 31.823 -0.019 0.000 0.666 14 V HN 0.074 nan 8.190 nan 0.000 0.456 15 K N 0.086 120.475 120.400 -0.018 0.000 2.032 15 K HA -0.078 4.242 4.320 -0.000 0.000 0.209 15 K C 2.246 178.876 176.600 0.050 0.000 1.048 15 K CA 2.216 58.516 56.287 0.021 0.000 0.927 15 K CB -0.555 31.955 32.500 0.017 0.000 0.712 15 K HN 0.535 nan 8.250 nan 0.000 0.441 16 M N 0.227 119.853 119.600 0.044 0.000 2.067 16 M HA -0.202 4.278 4.480 -0.000 0.000 0.260 16 M C 2.290 178.608 176.300 0.030 0.000 1.069 16 M CA 1.220 56.547 55.300 0.046 0.000 1.117 16 M CB -0.441 32.182 32.600 0.038 0.000 1.334 16 M HN 0.042 nan 8.290 nan 0.000 0.407 17 L N 0.705 121.939 121.223 0.019 0.000 1.990 17 L HA -0.241 4.099 4.340 -0.000 0.000 0.213 17 L C 2.480 179.358 176.870 0.015 0.000 1.072 17 L CA 2.054 56.903 54.840 0.014 0.000 0.755 17 L CB -0.796 41.268 42.059 0.009 0.000 0.889 17 L HN 0.193 nan 8.230 nan 0.000 0.432 18 R N -0.358 120.152 120.500 0.016 0.000 2.103 18 R HA -0.144 4.196 4.340 -0.000 0.000 0.242 18 R C 2.160 178.471 176.300 0.018 0.000 1.142 18 R CA 1.901 58.011 56.100 0.016 0.000 0.960 18 R CB -1.221 29.091 30.300 0.019 0.000 0.858 18 R HN 0.519 nan 8.270 nan 0.000 0.439 19 G N -0.344 108.471 108.800 0.025 0.000 2.404 19 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.215 19 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.215 19 G C 1.419 176.328 174.900 0.014 0.000 1.174 19 G CA 0.828 45.941 45.100 0.022 0.000 0.780 19 G HN 0.373 nan 8.290 nan 0.000 0.537 20 V N 0.208 120.130 119.914 0.014 0.000 2.759 20 V HA -0.070 4.050 4.120 -0.000 0.000 0.256 20 V C 2.089 178.188 176.094 0.007 0.000 1.080 20 V CA 2.096 64.401 62.300 0.010 0.000 1.101 20 V CB -0.492 31.338 31.823 0.012 0.000 0.698 20 V HN 0.211 nan 8.190 nan 0.000 0.477 21 N N 0.787 119.492 118.700 0.008 0.000 2.188 21 N HA -0.074 4.666 4.740 -0.000 0.000 0.184 21 N C 1.791 177.303 175.510 0.003 0.000 1.018 21 N CA 1.747 54.800 53.050 0.006 0.000 0.858 21 N CB -0.285 38.206 38.487 0.006 0.000 0.989 21 N HN 0.519 nan 8.380 nan 0.000 0.426 22 V N 1.601 121.517 119.914 0.004 0.000 2.307 22 V HA -0.181 3.939 4.120 -0.000 0.000 0.245 22 V C 2.422 178.515 176.094 -0.002 0.000 1.045 22 V CA 1.062 63.363 62.300 0.001 0.000 1.024 22 V CB -0.599 31.225 31.823 0.001 0.000 0.651 22 V HN 0.182 nan 8.190 nan 0.000 0.449 23 L N 1.105 122.327 121.223 -0.002 0.000 1.970 23 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 23 L C 2.467 179.334 176.870 -0.004 0.000 1.071 23 L CA 2.601 57.438 54.840 -0.005 0.000 0.751 23 L CB -1.073 40.983 42.059 -0.005 0.000 0.889 23 L HN 0.212 nan 8.230 nan 0.000 0.432 24 A N -0.776 122.044 122.820 -0.001 0.000 1.908 24 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 24 A C 1.994 179.578 177.584 -0.001 0.000 1.181 24 A CA 1.959 53.995 52.037 -0.001 0.000 0.627 24 A CB -0.972 18.029 19.000 0.002 0.000 0.818 24 A HN 0.594 nan 8.150 nan 0.000 0.445 25 D N 0.030 120.429 120.400 -0.001 0.000 2.144 25 D HA -0.030 4.610 4.640 -0.000 0.000 0.199 25 D C 2.164 178.462 176.300 -0.003 0.000 0.984 25 D CA 1.464 55.463 54.000 -0.002 0.000 0.834 25 D CB -0.408 40.391 40.800 -0.001 0.000 0.955 25 D HN 0.444 nan 8.370 nan 0.000 0.465 26 A N 0.354 123.171 122.820 -0.005 0.000 1.929 26 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 26 A C 2.451 180.031 177.584 -0.008 0.000 1.176 26 A CA 0.905 52.938 52.037 -0.007 0.000 0.628 26 A CB -0.426 18.569 19.000 -0.009 0.000 0.816 26 A HN 0.149 nan 8.150 nan 0.000 0.444 27 V N 0.958 120.867 119.914 -0.008 0.000 2.446 27 V HA -0.183 3.937 4.120 -0.000 0.000 0.244 27 V C 2.443 178.533 176.094 -0.007 0.000 1.039 27 V CA 1.994 64.288 62.300 -0.009 0.000 1.045 27 V CB -0.509 31.308 31.823 -0.010 0.000 0.681 27 V HN 0.836 nan 8.190 nan 0.000 0.459 28 K N 1.486 121.884 120.400 -0.004 0.000 2.360 28 K HA -0.100 4.220 4.320 -0.000 0.000 0.201 28 K C 1.766 178.364 176.600 -0.003 0.000 1.046 28 K CA 1.676 57.961 56.287 -0.003 0.000 0.945 28 K CB -0.632 31.867 32.500 -0.001 0.000 0.750 28 K HN 0.478 nan 8.250 nan 0.000 0.464 29 V N -0.134 119.778 119.914 -0.003 0.000 2.970 29 V HA -0.150 3.970 4.120 -0.000 0.000 0.260 29 V C 2.249 178.341 176.094 -0.004 0.000 1.100 29 V CA 1.710 64.008 62.300 -0.003 0.000 1.122 29 V CB -1.036 30.785 31.823 -0.003 0.000 0.721 29 V HN 0.548 nan 8.190 nan 0.000 0.483 30 T N -2.086 112.465 114.554 -0.005 0.000 3.088 30 T HA 0.170 4.520 4.350 -0.000 0.000 0.259 30 T C 0.694 175.390 174.700 -0.006 0.000 1.122 30 T CA -0.000 62.096 62.100 -0.007 0.000 1.095 30 T CB -0.424 68.438 68.868 -0.009 0.000 0.930 30 T HN 0.363 nan 8.240 nan 0.000 0.508 31 L N 2.528 123.748 121.223 -0.005 0.000 2.525 31 L HA 0.444 4.784 4.340 -0.000 0.000 0.278 31 L C 1.071 177.940 176.870 -0.002 0.000 1.218 31 L CA 1.856 56.694 54.840 -0.004 0.000 0.878 31 L CB -0.621 41.438 42.059 -0.001 0.000 1.127 31 L HN 0.760 nan 8.230 nan 0.000 0.492 32 G N 3.992 112.789 108.800 -0.005 0.000 2.796 32 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.571 32 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.571 32 G C -1.860 173.033 174.900 -0.012 0.000 1.370 32 G CA -0.265 44.832 45.100 -0.006 0.000 0.856 32 G HN 0.618 nan 8.290 nan 0.000 0.538 33 P HA 0.040 nan 4.420 nan 0.000 0.221 33 P C 0.861 178.151 177.300 -0.017 0.000 1.150 33 P CA 1.133 64.218 63.100 -0.024 0.000 0.800 33 P CB 0.142 31.818 31.700 -0.040 0.000 0.787 34 K N 0.541 120.935 120.400 -0.009 0.000 2.570 34 K HA 0.265 4.585 4.320 -0.000 0.000 0.210 34 K C 1.038 177.637 176.600 -0.002 0.000 1.048 34 K CA -0.210 56.075 56.287 -0.004 0.000 1.167 34 K CB 0.145 32.647 32.500 0.003 0.000 0.892 34 K HN 0.055 nan 8.250 nan 0.000 0.480 35 G N 1.474 110.271 108.800 -0.005 0.000 2.491 35 G HA2 0.065 4.025 3.960 -0.000 0.000 0.238 35 G HA3 0.065 4.025 3.960 -0.000 0.000 0.238 35 G C 0.246 175.143 174.900 -0.004 0.000 1.277 35 G CA -0.372 44.725 45.100 -0.004 0.000 0.851 35 G HN 0.081 nan 8.290 nan 0.000 0.573 36 R N 0.588 121.085 120.500 -0.004 0.000 2.541 36 R HA 0.217 4.557 4.340 -0.000 0.000 0.263 36 R C 0.016 176.313 176.300 -0.005 0.000 1.112 36 R CA -0.695 55.403 56.100 -0.004 0.000 1.170 36 R CB 0.250 30.548 30.300 -0.003 0.000 1.167 36 R HN 0.645 nan 8.270 nan 0.000 0.582 37 N N -0.929 117.768 118.700 -0.005 0.000 2.473 37 N HA 0.320 5.060 4.740 -0.000 0.000 0.291 37 N C -1.046 174.461 175.510 -0.006 0.000 1.083 37 N CA -0.473 52.574 53.050 -0.006 0.000 0.951 37 N CB 1.573 40.057 38.487 -0.005 0.000 1.164 37 N HN 0.065 nan 8.380 nan 0.000 0.480 38 V N 2.265 122.174 119.914 -0.007 0.000 2.495 38 V HA 0.330 4.450 4.120 -0.000 0.000 0.298 38 V C -0.326 175.763 176.094 -0.008 0.000 1.031 38 V CA -0.792 61.503 62.300 -0.008 0.000 0.871 38 V CB 1.785 33.603 31.823 -0.009 0.000 0.988 38 V HN 0.335 nan 8.190 nan 0.000 0.432 39 V N 6.504 126.413 119.914 -0.008 0.000 2.364 39 V HA 0.421 4.541 4.120 -0.000 0.000 0.272 39 V C -0.107 175.980 176.094 -0.010 0.000 1.036 39 V CA -0.384 61.911 62.300 -0.008 0.000 0.880 39 V CB 1.263 33.082 31.823 -0.007 0.000 0.991 39 V HN 0.600 nan 8.190 nan 0.000 0.460 40 L N 3.991 125.208 121.223 -0.011 0.000 2.280 40 L HA 0.492 4.832 4.340 -0.000 0.000 0.287 40 L C -0.158 176.703 176.870 -0.015 0.000 1.023 40 L CA -0.530 54.301 54.840 -0.014 0.000 0.819 40 L CB 1.544 43.595 42.059 -0.015 0.000 1.212 40 L HN 0.543 nan 8.230 nan 0.000 0.420 41 D N 3.424 123.812 120.400 -0.021 0.000 2.350 41 D HA 0.222 4.862 4.640 -0.000 0.000 0.249 41 D C -0.592 175.687 176.300 -0.035 0.000 1.119 41 D CA 0.130 54.115 54.000 -0.025 0.000 0.886 41 D CB 0.932 41.714 40.800 -0.031 0.000 1.195 41 D HN 0.320 nan 8.370 nan 0.000 0.437 42 K N 1.229 121.609 120.400 -0.033 0.000 2.292 42 K HA 0.228 4.548 4.320 -0.000 0.000 0.257 42 K C 1.176 177.719 176.600 -0.095 0.000 0.940 42 K CA -0.582 55.679 56.287 -0.044 0.000 0.811 42 K CB 1.673 34.178 32.500 0.008 0.000 1.120 42 K HN 0.375 nan 8.250 nan 0.000 0.428 43 S N 1.807 117.376 115.700 -0.218 0.000 2.402 43 S HA -0.129 4.341 4.470 -0.000 0.000 0.233 43 S C 0.437 174.804 174.600 -0.388 0.000 1.030 43 S CA 0.990 58.954 58.200 -0.392 0.000 1.003 43 S CB -0.343 62.454 63.200 -0.672 0.000 0.813 43 S HN 0.384 nan 8.310 nan 0.000 0.477 44 F N 2.645 122.592 119.950 -0.004 0.000 2.411 44 F HA 0.677 5.204 4.527 0.000 0.000 0.352 44 F C 1.277 177.075 175.800 -0.004 0.000 1.123 44 F CA -0.271 57.727 58.000 -0.003 0.000 1.044 44 F CB 0.921 39.919 39.000 -0.003 0.000 1.135 44 F HN 0.460 nan 8.300 nan 0.000 0.461 45 G N 1.607 110.521 108.800 0.191 0.000 2.512 45 G HA2 0.150 4.110 3.960 -0.000 0.000 0.240 45 G HA3 0.150 4.110 3.960 -0.000 0.000 0.240 45 G C -0.583 174.353 174.900 0.060 0.000 1.246 45 G CA -0.502 44.660 45.100 0.103 0.000 0.919 45 G HN 1.065 nan 8.290 nan 0.000 0.577 46 A N 0.966 123.812 122.820 0.043 0.000 2.302 46 A HA 0.818 5.138 4.320 -0.000 0.000 0.285 46 A C -1.549 176.047 177.584 0.021 0.000 1.105 46 A CA -0.340 51.712 52.037 0.026 0.000 0.816 46 A CB 0.256 19.268 19.000 0.020 0.000 1.067 46 A HN 0.684 nan 8.150 nan 0.000 0.489 47 P HA 0.270 nan 4.420 nan 0.000 0.273 47 P C -0.360 176.943 177.300 0.005 0.000 1.250 47 P CA 0.042 63.145 63.100 0.004 0.000 0.793 47 P CB 0.441 32.140 31.700 -0.001 0.000 1.011 48 T N 1.494 116.049 114.554 0.002 0.000 2.767 48 T HA 0.501 4.851 4.350 -0.000 0.000 0.284 48 T C 0.183 174.882 174.700 -0.002 0.000 0.973 48 T CA -0.257 61.843 62.100 0.001 0.000 0.996 48 T CB 0.016 68.884 68.868 -0.000 0.000 0.927 48 T HN 0.158 nan 8.240 nan 0.000 0.456 49 I N 2.715 123.284 120.570 -0.002 0.000 2.377 49 I HA 0.546 4.716 4.170 -0.000 0.000 0.293 49 I C 0.492 176.606 176.117 -0.005 0.000 0.987 49 I CA -0.466 60.831 61.300 -0.004 0.000 1.185 49 I CB 1.799 39.798 38.000 -0.003 0.000 1.341 49 I HN 0.513 nan 8.210 nan 0.000 0.455 50 T N 4.311 118.861 114.554 -0.007 0.000 2.868 50 T HA 0.395 4.745 4.350 -0.000 0.000 0.306 50 T C -0.180 174.514 174.700 -0.009 0.000 1.224 50 T CA -0.599 61.496 62.100 -0.008 0.000 1.012 50 T CB 1.739 70.601 68.868 -0.010 0.000 1.221 50 T HN 0.676 nan 8.240 nan 0.000 0.499 51 K N 1.129 121.523 120.400 -0.010 0.000 2.469 51 K HA 0.198 4.518 4.320 -0.000 0.000 0.204 51 K C -0.713 175.879 176.600 -0.013 0.000 1.047 51 K CA -0.300 55.981 56.287 -0.010 0.000 1.072 51 K CB 0.560 33.054 32.500 -0.010 0.000 0.863 51 K HN 0.436 nan 8.250 nan 0.000 0.530 52 D N 0.414 120.806 120.400 -0.014 0.000 2.380 52 D HA 0.101 4.741 4.640 -0.000 0.000 0.230 52 D C 1.200 177.489 176.300 -0.018 0.000 1.154 52 D CA -0.097 53.893 54.000 -0.017 0.000 0.859 52 D CB 1.247 42.036 40.800 -0.018 0.000 1.045 52 D HN 0.206 nan 8.370 nan 0.000 0.495 53 G N 2.540 111.329 108.800 -0.019 0.000 2.450 53 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 53 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 53 G C 1.517 176.403 174.900 -0.023 0.000 1.130 53 G CA 0.740 45.828 45.100 -0.019 0.000 0.760 53 G HN 0.487 nan 8.290 nan 0.000 0.557 54 V N 0.967 120.864 119.914 -0.028 0.000 2.358 54 V HA -0.175 3.945 4.120 -0.000 0.000 0.246 54 V C 3.088 179.163 176.094 -0.030 0.000 1.047 54 V CA 2.170 64.450 62.300 -0.032 0.000 1.035 54 V CB -0.453 31.348 31.823 -0.037 0.000 0.658 54 V HN 0.373 nan 8.190 nan 0.000 0.452 55 S N -0.025 115.659 115.700 -0.026 0.000 2.356 55 S HA -0.164 4.306 4.470 -0.000 0.000 0.223 55 S C 2.052 176.638 174.600 -0.024 0.000 1.032 55 S CA 1.522 59.707 58.200 -0.025 0.000 1.005 55 S CB -0.273 62.915 63.200 -0.020 0.000 0.867 55 S HN 0.377 nan 8.310 nan 0.000 0.449 56 V N 2.326 122.227 119.914 -0.022 0.000 2.255 56 V HA -0.249 3.870 4.120 -0.000 0.000 0.247 56 V C 2.715 178.795 176.094 -0.023 0.000 1.051 56 V CA 1.832 64.120 62.300 -0.020 0.000 1.018 56 V CB -1.333 30.480 31.823 -0.017 0.000 0.641 56 V HN 0.553 nan 8.190 nan 0.000 0.445 57 A N -0.538 122.267 122.820 -0.024 0.000 1.940 57 A HA -0.276 4.044 4.320 -0.000 0.000 0.219 57 A C 2.405 179.970 177.584 -0.031 0.000 1.176 57 A CA 2.041 54.062 52.037 -0.026 0.000 0.631 57 A CB -0.621 18.362 19.000 -0.028 0.000 0.814 57 A HN 0.464 nan 8.150 nan 0.000 0.446 58 R N -0.540 119.940 120.500 -0.034 0.000 2.091 58 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 58 R C 1.581 177.857 176.300 -0.040 0.000 1.136 58 R CA 1.542 57.617 56.100 -0.041 0.000 0.959 58 R CB -0.169 30.105 30.300 -0.044 0.000 0.856 58 R HN 0.505 nan 8.270 nan 0.000 0.437 59 E N 0.190 120.370 120.200 -0.033 0.000 2.427 59 E HA -0.042 4.308 4.350 -0.000 0.000 0.196 59 E C 0.285 176.867 176.600 -0.029 0.000 1.028 59 E CA 0.301 56.682 56.400 -0.032 0.000 0.864 59 E CB 0.139 29.822 29.700 -0.028 0.000 0.813 59 E HN 0.217 nan 8.360 nan 0.000 0.514 60 I N 2.041 122.595 120.570 -0.027 0.000 2.379 60 I HA 0.131 4.301 4.170 -0.000 0.000 0.290 60 I C 0.348 176.451 176.117 -0.024 0.000 1.063 60 I CA 0.189 61.476 61.300 -0.023 0.000 1.351 60 I CB 0.093 38.081 38.000 -0.019 0.000 1.410 60 I HN -0.071 nan 8.210 nan 0.000 0.505 61 E N 7.118 127.304 120.200 -0.023 0.000 2.291 61 E HA 0.482 4.832 4.350 -0.000 0.000 0.276 61 E C -1.625 174.963 176.600 -0.020 0.000 0.896 61 E CA -0.599 55.786 56.400 -0.024 0.000 0.774 61 E CB 1.983 31.667 29.700 -0.027 0.000 1.227 61 E HN 0.439 nan 8.360 nan 0.000 0.413 62 L N 3.485 124.697 121.223 -0.018 0.000 2.334 62 L HA 0.364 4.704 4.340 -0.000 0.000 0.275 62 L C 1.511 178.370 176.870 -0.017 0.000 1.036 62 L CA -0.392 54.440 54.840 -0.013 0.000 0.807 62 L CB 1.455 43.512 42.059 -0.004 0.000 1.231 62 L HN 0.748 nan 8.230 nan 0.000 0.438 63 E N 0.966 121.159 120.200 -0.013 0.000 2.072 63 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 63 E C 0.540 177.131 176.600 -0.015 0.000 0.985 63 E CA 0.509 56.899 56.400 -0.015 0.000 0.801 63 E CB 0.275 29.969 29.700 -0.010 0.000 0.750 63 E HN 0.669 nan 8.360 nan 0.000 0.452 64 D N 0.619 121.021 120.400 0.003 0.000 2.401 64 D HA -0.062 4.578 4.640 -0.000 0.000 0.254 64 D C 0.673 176.963 176.300 -0.016 0.000 1.192 64 D CA 0.006 54.018 54.000 0.021 0.000 0.885 64 D CB 0.971 41.809 40.800 0.064 0.000 1.147 64 D HN 0.004 nan 8.370 nan 0.000 0.478 65 K N 3.629 123.972 120.400 -0.095 0.000 2.074 65 K HA -0.173 4.147 4.320 -0.000 0.000 0.209 65 K C 1.929 178.370 176.600 -0.265 0.000 1.048 65 K CA 1.246 57.391 56.287 -0.236 0.000 0.926 65 K CB -0.440 31.814 32.500 -0.410 0.000 0.713 65 K HN 0.499 nan 8.250 nan 0.000 0.444 66 F N 1.700 121.636 119.950 -0.023 0.000 2.113 66 F HA -0.091 4.436 4.527 -0.000 0.000 0.297 66 F C 2.453 178.241 175.800 -0.020 0.000 1.103 66 F CA 1.170 59.155 58.000 -0.026 0.000 1.248 66 F CB -0.588 38.395 39.000 -0.028 0.000 0.999 66 F HN 0.126 nan 8.300 nan 0.000 0.475 67 E N -0.049 120.250 120.200 0.166 0.000 2.085 67 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 67 E C 1.864 178.488 176.600 0.041 0.000 0.994 67 E CA 1.435 57.887 56.400 0.086 0.000 0.801 67 E CB -0.385 29.354 29.700 0.064 0.000 0.743 67 E HN 0.330 nan 8.360 nan 0.000 0.453 68 N N 0.474 119.182 118.700 0.013 0.000 2.166 68 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 68 N C 1.735 177.237 175.510 -0.014 0.000 1.019 68 N CA 1.150 54.193 53.050 -0.012 0.000 0.856 68 N CB 0.013 38.478 38.487 -0.036 0.000 0.993 68 N HN 0.070 nan 8.380 nan 0.000 0.426 69 M N -0.738 118.853 119.600 -0.015 0.000 2.159 69 M HA -0.037 4.443 4.480 -0.000 0.000 0.263 69 M C 2.121 178.428 176.300 0.011 0.000 1.063 69 M CA 1.642 56.936 55.300 -0.010 0.000 1.110 69 M CB -0.477 32.119 32.600 -0.007 0.000 1.374 69 M HN 0.335 nan 8.290 nan 0.000 0.411 70 G N -0.216 108.602 108.800 0.030 0.000 2.421 70 G HA2 -0.159 3.800 3.960 -0.000 0.000 0.216 70 G HA3 -0.159 3.800 3.960 -0.000 0.000 0.216 70 G C 1.603 176.512 174.900 0.014 0.000 1.171 70 G CA 0.981 46.097 45.100 0.028 0.000 0.775 70 G HN 0.542 nan 8.290 nan 0.000 0.543 71 A N 0.027 122.852 122.820 0.009 0.000 1.877 71 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 71 A C 2.413 179.993 177.584 -0.006 0.000 1.186 71 A CA 1.996 54.033 52.037 0.000 0.000 0.620 71 A CB -0.405 18.593 19.000 -0.003 0.000 0.822 71 A HN 0.299 nan 8.150 nan 0.000 0.443 72 Q N -0.527 119.267 119.800 -0.010 0.000 2.170 72 Q HA -0.127 4.213 4.340 -0.000 0.000 0.203 72 Q C 2.136 178.129 176.000 -0.012 0.000 0.976 72 Q CA 1.550 57.343 55.803 -0.016 0.000 0.858 72 Q CB -0.564 28.162 28.738 -0.020 0.000 0.907 72 Q HN 0.781 nan 8.270 nan 0.000 0.433 73 M N -0.149 119.449 119.600 -0.004 0.000 2.086 73 M HA -0.138 4.342 4.480 -0.000 0.000 0.261 73 M C 2.287 178.588 176.300 0.001 0.000 1.067 73 M CA 1.624 56.925 55.300 0.001 0.000 1.116 73 M CB -0.467 32.139 32.600 0.010 0.000 1.348 73 M HN 0.195 nan 8.290 nan 0.000 0.407 74 V N -1.052 118.864 119.914 0.003 0.000 2.591 74 V HA -0.168 3.952 4.120 -0.000 0.000 0.249 74 V C 2.056 178.143 176.094 -0.012 0.000 1.053 74 V CA 1.714 64.016 62.300 0.004 0.000 1.068 74 V CB -0.707 31.122 31.823 0.009 0.000 0.689 74 V HN 0.436 nan 8.190 nan 0.000 0.462 75 K N 0.057 120.447 120.400 -0.017 0.000 2.063 75 K HA -0.247 4.073 4.320 -0.000 0.000 0.208 75 K C 2.377 178.951 176.600 -0.043 0.000 1.048 75 K CA 2.135 58.405 56.287 -0.029 0.000 0.928 75 K CB -0.254 32.231 32.500 -0.026 0.000 0.713 75 K HN 0.702 nan 8.250 nan 0.000 0.442 76 E N 0.005 120.181 120.200 -0.039 0.000 2.072 76 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 76 E C 1.910 178.458 176.600 -0.087 0.000 0.985 76 E CA 1.202 57.571 56.400 -0.052 0.000 0.801 76 E CB 0.194 29.874 29.700 -0.033 0.000 0.750 76 E HN 0.134 nan 8.360 nan 0.000 0.452 77 V N 1.198 121.070 119.914 -0.070 0.000 2.358 77 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 77 V C 2.473 178.444 176.094 -0.206 0.000 1.047 77 V CA 1.682 63.917 62.300 -0.107 0.000 1.035 77 V CB -0.698 31.137 31.823 0.019 0.000 0.658 77 V HN 0.340 nan 8.190 nan 0.000 0.452 78 A N 0.705 123.463 122.820 -0.103 0.000 1.972 78 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 78 A C 2.560 180.054 177.584 -0.150 0.000 1.169 78 A CA 2.156 54.137 52.037 -0.093 0.000 0.635 78 A CB -0.740 18.237 19.000 -0.038 0.000 0.810 78 A HN 0.685 nan 8.150 nan 0.000 0.446 79 S N 0.088 115.699 115.700 -0.148 0.000 2.399 79 S HA -0.210 4.260 4.470 -0.000 0.000 0.231 79 S C 1.811 176.290 174.600 -0.203 0.000 1.022 79 S CA 1.566 59.685 58.200 -0.136 0.000 0.983 79 S CB -0.423 62.717 63.200 -0.100 0.000 0.803 79 S HN 0.617 nan 8.310 nan 0.000 0.480 80 K N 1.414 121.599 120.400 -0.359 0.000 2.147 80 K HA 0.056 4.376 4.320 -0.000 0.000 0.205 80 K C 2.519 178.837 176.600 -0.471 0.000 1.049 80 K CA 1.090 57.066 56.287 -0.519 0.000 0.936 80 K CB -0.547 31.379 32.500 -0.957 0.000 0.722 80 K HN 0.538 nan 8.250 nan 0.000 0.446 81 A N 1.746 124.321 122.820 -0.408 0.000 1.877 81 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 81 A C 1.924 179.492 177.584 -0.027 0.000 1.186 81 A CA 1.960 53.975 52.037 -0.036 0.000 0.620 81 A CB -0.672 18.365 19.000 0.062 0.000 0.822 81 A HN 0.280 nan 8.150 nan 0.000 0.443 82 N N 0.026 118.678 118.700 -0.080 0.000 2.120 82 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 82 N C 1.241 176.694 175.510 -0.096 0.000 1.024 82 N CA 1.607 54.602 53.050 -0.093 0.000 0.852 82 N CB -0.183 38.247 38.487 -0.096 0.000 1.003 82 N HN 0.426 nan 8.380 nan 0.000 0.424 83 D N -0.071 120.287 120.400 -0.071 0.000 2.097 83 D HA -0.125 4.515 4.640 -0.000 0.000 0.195 83 D C 1.779 178.109 176.300 0.049 0.000 0.989 83 D CA 1.294 55.282 54.000 -0.021 0.000 0.827 83 D CB -0.497 40.278 40.800 -0.041 0.000 0.966 83 D HN 0.360 nan 8.370 nan 0.000 0.456 84 A N 0.615 123.468 122.820 0.055 0.000 1.873 84 A HA 0.100 4.420 4.320 -0.000 0.000 0.215 84 A C 2.051 179.725 177.584 0.150 0.000 1.186 84 A CA 2.157 54.266 52.037 0.121 0.000 0.616 84 A CB -0.226 18.885 19.000 0.185 0.000 0.823 84 A HN 0.253 nan 8.150 nan 0.000 0.442 85 A N -2.818 120.066 122.820 0.106 0.000 2.469 85 A HA 0.477 4.797 4.320 -0.000 0.000 0.245 85 A C 1.517 179.101 177.584 0.000 0.000 1.221 85 A CA 0.978 53.081 52.037 0.111 0.000 0.946 85 A CB -0.362 18.685 19.000 0.079 0.000 1.049 85 A HN 1.912 nan 8.150 nan 0.000 0.529 86 G N -0.621 108.011 108.800 -0.279 0.000 2.148 86 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.254 86 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.254 86 G C -0.160 174.567 174.900 -0.288 0.000 0.981 86 G CA 0.713 45.389 45.100 -0.707 0.000 0.670 86 G HN 0.941 nan 8.290 nan 0.000 0.528 87 D N -3.358 116.956 120.400 -0.142 0.000 2.808 87 D HA 0.564 5.204 4.640 -0.000 0.000 0.294 87 D C 0.874 177.153 176.300 -0.035 0.000 1.278 87 D CA 1.533 55.485 54.000 -0.079 0.000 0.756 87 D CB 0.057 40.824 40.800 -0.055 0.000 1.271 87 D HN 1.439 nan 8.370 nan 0.000 0.425 88 G N -0.423 108.363 108.800 -0.022 0.000 2.176 88 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.232 88 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.232 88 G C 1.106 176.006 174.900 -0.000 0.000 0.986 88 G CA 0.906 46.007 45.100 0.000 0.000 0.643 88 G HN 0.569 nan 8.290 nan 0.000 0.522 89 T N 0.966 115.507 114.554 -0.021 0.000 2.674 89 T HA -0.095 4.255 4.350 -0.000 0.000 0.265 89 T C 2.607 177.298 174.700 -0.015 0.000 1.039 89 T CA 2.517 64.601 62.100 -0.027 0.000 1.150 89 T CB -0.417 68.424 68.868 -0.045 0.000 0.864 89 T HN 0.464 nan 8.240 nan 0.000 0.427 90 T N 1.690 116.236 114.554 -0.015 0.000 2.684 90 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 90 T C 2.239 176.939 174.700 -0.000 0.000 1.036 90 T CA 1.778 63.873 62.100 -0.009 0.000 1.148 90 T CB -0.788 68.073 68.868 -0.011 0.000 0.863 90 T HN 0.418 nan 8.240 nan 0.000 0.436 91 T N 2.224 116.780 114.554 0.003 0.000 2.635 91 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 91 T C 2.401 177.113 174.700 0.019 0.000 1.040 91 T CA 1.384 63.491 62.100 0.011 0.000 1.156 91 T CB -0.748 68.129 68.868 0.014 0.000 0.863 91 T HN 0.453 nan 8.240 nan 0.000 0.430 92 A N 1.345 124.181 122.820 0.028 0.000 1.917 92 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 92 A C 2.567 180.170 177.584 0.031 0.000 1.182 92 A CA 2.357 54.420 52.037 0.044 0.000 0.633 92 A CB -1.383 17.654 19.000 0.062 0.000 0.819 92 A HN 0.524 nan 8.150 nan 0.000 0.448 93 T N -0.428 114.135 114.554 0.015 0.000 2.708 93 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 93 T C 1.997 176.704 174.700 0.011 0.000 1.037 93 T CA 1.946 64.051 62.100 0.009 0.000 1.146 93 T CB -0.820 68.048 68.868 -0.000 0.000 0.865 93 T HN 0.702 nan 8.240 nan 0.000 0.435 94 V N 0.877 120.796 119.914 0.009 0.000 2.515 94 V HA -0.030 4.090 4.120 -0.000 0.000 0.250 94 V C 2.156 178.258 176.094 0.012 0.000 1.058 94 V CA 1.401 63.706 62.300 0.009 0.000 1.064 94 V CB -0.912 30.915 31.823 0.006 0.000 0.675 94 V HN 0.476 nan 8.190 nan 0.000 0.461 95 L N 0.555 121.788 121.223 0.017 0.000 2.027 95 L HA -0.018 4.322 4.340 -0.000 0.000 0.206 95 L C 3.063 179.945 176.870 0.020 0.000 1.074 95 L CA 1.725 56.576 54.840 0.019 0.000 0.745 95 L CB -0.948 41.126 42.059 0.024 0.000 0.898 95 L HN 0.443 nan 8.230 nan 0.000 0.433 96 A N -0.469 122.365 122.820 0.024 0.000 1.908 96 A HA -0.311 4.009 4.320 -0.000 0.000 0.218 96 A C 2.254 179.849 177.584 0.018 0.000 1.181 96 A CA 2.043 54.094 52.037 0.024 0.000 0.627 96 A CB -0.659 18.357 19.000 0.028 0.000 0.818 96 A HN 0.525 nan 8.150 nan 0.000 0.445 97 Q N -0.513 119.295 119.800 0.014 0.000 2.061 97 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 97 Q C 2.198 178.204 176.000 0.010 0.000 0.984 97 Q CA 1.813 57.623 55.803 0.011 0.000 0.846 97 Q CB -0.384 28.359 28.738 0.008 0.000 0.902 97 Q HN 0.594 nan 8.270 nan 0.000 0.421 98 A N 0.936 123.762 122.820 0.010 0.000 1.883 98 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 98 A C 2.025 179.615 177.584 0.010 0.000 1.186 98 A CA 1.612 53.654 52.037 0.009 0.000 0.624 98 A CB -0.766 18.239 19.000 0.009 0.000 0.822 98 A HN 0.506 nan 8.150 nan 0.000 0.444 99 I N -0.461 120.116 120.570 0.012 0.000 2.179 99 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 99 I C 2.345 178.469 176.117 0.012 0.000 1.088 99 I CA 1.420 62.727 61.300 0.012 0.000 1.357 99 I CB -0.413 37.596 38.000 0.014 0.000 1.051 99 I HN 0.296 nan 8.210 nan 0.000 0.409 100 I N 0.399 120.977 120.570 0.013 0.000 2.226 100 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 100 I C 2.586 178.709 176.117 0.010 0.000 1.100 100 I CA 1.557 62.865 61.300 0.013 0.000 1.374 100 I CB -0.616 37.393 38.000 0.014 0.000 1.057 100 I HN 0.251 nan 8.210 nan 0.000 0.413 101 T N 0.192 114.752 114.554 0.009 0.000 2.652 101 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 101 T C 1.844 176.548 174.700 0.006 0.000 1.039 101 T CA 1.353 63.457 62.100 0.007 0.000 1.153 101 T CB -0.173 68.698 68.868 0.006 0.000 0.863 101 T HN 0.281 nan 8.240 nan 0.000 0.428 102 E N 0.641 120.844 120.200 0.006 0.000 2.107 102 E HA 0.004 4.354 4.350 -0.000 0.000 0.191 102 E C 2.555 179.158 176.600 0.006 0.000 0.982 102 E CA 0.980 57.383 56.400 0.006 0.000 0.809 102 E CB -0.905 28.799 29.700 0.006 0.000 0.756 102 E HN 0.558 nan 8.360 nan 0.000 0.459 103 G N 1.540 110.344 108.800 0.007 0.000 2.446 103 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 103 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 103 G C 1.740 176.644 174.900 0.007 0.000 1.168 103 G CA 0.679 45.784 45.100 0.008 0.000 0.771 103 G HN 0.189 nan 8.290 nan 0.000 0.551 104 L N -0.150 121.077 121.223 0.007 0.000 2.083 104 L HA -0.054 4.286 4.340 -0.000 0.000 0.209 104 L C 2.985 179.858 176.870 0.005 0.000 1.083 104 L CA 1.196 56.040 54.840 0.006 0.000 0.752 104 L CB -0.345 41.717 42.059 0.006 0.000 0.899 104 L HN 0.199 nan 8.230 nan 0.000 0.433 105 K N 0.159 120.561 120.400 0.004 0.000 2.032 105 K HA -0.196 4.124 4.320 -0.000 0.000 0.209 105 K C 2.244 178.846 176.600 0.003 0.000 1.048 105 K CA 1.532 57.821 56.287 0.003 0.000 0.927 105 K CB -0.278 32.224 32.500 0.003 0.000 0.712 105 K HN 0.292 nan 8.250 nan 0.000 0.441 106 A N 0.973 123.796 122.820 0.004 0.000 1.908 106 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 106 A C 2.365 179.952 177.584 0.004 0.000 1.181 106 A CA 1.550 53.590 52.037 0.004 0.000 0.627 106 A CB -0.691 18.311 19.000 0.005 0.000 0.818 106 A HN 0.092 nan 8.150 nan 0.000 0.445 107 V N -0.209 119.708 119.914 0.005 0.000 2.343 107 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 107 V C 3.037 179.134 176.094 0.005 0.000 1.051 107 V CA 1.967 64.270 62.300 0.006 0.000 1.036 107 V CB -1.178 30.650 31.823 0.008 0.000 0.654 107 V HN 0.622 nan 8.190 nan 0.000 0.451 108 A N -0.104 122.719 122.820 0.004 0.000 1.972 108 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 108 A C 2.291 179.876 177.584 0.002 0.000 1.169 108 A CA 1.708 53.746 52.037 0.002 0.000 0.635 108 A CB -0.599 18.402 19.000 0.001 0.000 0.810 108 A HN 0.587 nan 8.150 nan 0.000 0.446 109 A N -1.860 120.961 122.820 0.002 0.000 2.209 109 A HA 0.370 4.690 4.320 -0.000 0.000 0.212 109 A C 1.806 179.391 177.584 0.001 0.000 1.158 109 A CA 1.399 53.436 52.037 0.001 0.000 0.742 109 A CB -0.829 18.172 19.000 0.002 0.000 0.790 109 A HN 1.864 nan 8.150 nan 0.000 0.472 110 G N -2.225 106.577 108.800 0.002 0.000 2.163 110 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.213 110 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.213 110 G C 0.159 175.060 174.900 0.003 0.000 0.991 110 G CA 0.142 45.243 45.100 0.002 0.000 0.653 110 G HN 0.359 nan 8.290 nan 0.000 0.518 111 M N 0.713 120.315 119.600 0.004 0.000 2.241 111 M HA 0.241 4.721 4.480 -0.000 0.000 0.335 111 M C 0.721 177.024 176.300 0.005 0.000 1.122 111 M CA -0.470 54.832 55.300 0.004 0.000 1.164 111 M CB 0.445 33.048 32.600 0.004 0.000 1.459 111 M HN 0.173 nan 8.290 nan 0.000 0.461 112 N N 2.401 121.104 118.700 0.005 0.000 2.452 112 N HA 0.101 4.841 4.740 -0.000 0.000 0.266 112 N C -2.137 173.378 175.510 0.008 0.000 1.175 112 N CA -1.279 51.774 53.050 0.006 0.000 0.945 112 N CB 1.240 39.731 38.487 0.006 0.000 1.063 112 N HN 0.275 nan 8.380 nan 0.000 0.472 113 P HA -0.137 nan 4.420 nan 0.000 0.216 113 P C 1.637 178.943 177.300 0.010 0.000 1.153 113 P CA 1.444 64.550 63.100 0.011 0.000 0.858 113 P CB 0.217 31.925 31.700 0.013 0.000 0.789 114 M N -1.031 118.575 119.600 0.010 0.000 2.159 114 M HA -0.123 4.357 4.480 -0.000 0.000 0.263 114 M C 1.479 177.783 176.300 0.007 0.000 1.063 114 M CA 1.610 56.915 55.300 0.009 0.000 1.110 114 M CB -1.652 30.954 32.600 0.009 0.000 1.374 114 M HN -0.002 nan 8.290 nan 0.000 0.411 115 D N 0.419 120.823 120.400 0.006 0.000 2.149 115 D HA -0.012 4.628 4.640 -0.000 0.000 0.201 115 D C 2.335 178.638 176.300 0.005 0.000 0.972 115 D CA 0.841 54.844 54.000 0.005 0.000 0.835 115 D CB -0.032 40.771 40.800 0.004 0.000 0.966 115 D HN 0.315 nan 8.370 nan 0.000 0.476 116 L N 0.907 122.133 121.223 0.006 0.000 2.042 116 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 116 L C 2.563 179.436 176.870 0.006 0.000 1.076 116 L CA 1.232 56.076 54.840 0.006 0.000 0.749 116 L CB -0.326 41.737 42.059 0.007 0.000 0.893 116 L HN -0.002 nan 8.230 nan 0.000 0.432 117 K N 0.420 120.824 120.400 0.007 0.000 2.026 117 K HA -0.240 4.080 4.320 -0.000 0.000 0.208 117 K C 2.324 178.927 176.600 0.004 0.000 1.048 117 K CA 1.443 57.734 56.287 0.007 0.000 0.929 117 K CB -0.077 32.428 32.500 0.008 0.000 0.713 117 K HN 0.054 nan 8.250 nan 0.000 0.439 118 R N -0.214 120.288 120.500 0.004 0.000 2.105 118 R HA -0.112 4.228 4.340 -0.000 0.000 0.239 118 R C 2.293 178.594 176.300 0.001 0.000 1.135 118 R CA 1.777 57.878 56.100 0.002 0.000 0.967 118 R CB -0.525 29.776 30.300 0.002 0.000 0.861 118 R HN 0.451 nan 8.270 nan 0.000 0.442 119 G N 0.477 109.278 108.800 0.002 0.000 2.402 119 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.216 119 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.216 119 G C 1.426 176.327 174.900 0.002 0.000 1.162 119 G CA 0.686 45.787 45.100 0.002 0.000 0.777 119 G HN 0.248 nan 8.290 nan 0.000 0.539 120 I N 1.065 121.636 120.570 0.003 0.000 2.208 120 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 120 I C 2.271 178.387 176.117 -0.001 0.000 1.097 120 I CA 1.249 62.551 61.300 0.002 0.000 1.363 120 I CB -0.165 37.837 38.000 0.004 0.000 1.051 120 I HN 0.072 nan 8.210 nan 0.000 0.413 121 D N 0.765 121.164 120.400 -0.002 0.000 2.117 121 D HA -0.211 4.429 4.640 -0.000 0.000 0.197 121 D C 2.065 178.360 176.300 -0.007 0.000 0.987 121 D CA 1.198 55.194 54.000 -0.006 0.000 0.829 121 D CB -0.202 40.595 40.800 -0.006 0.000 0.961 121 D HN 0.296 nan 8.370 nan 0.000 0.460 122 K N 0.830 121.228 120.400 -0.004 0.000 2.057 122 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 122 K C 2.041 178.639 176.600 -0.003 0.000 1.049 122 K CA 1.326 57.611 56.287 -0.003 0.000 0.931 122 K CB -0.032 32.467 32.500 -0.001 0.000 0.714 122 K HN 0.009 nan 8.250 nan 0.000 0.440 123 A N 0.551 123.370 122.820 -0.002 0.000 1.902 123 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 123 A C 2.241 179.824 177.584 -0.002 0.000 1.181 123 A CA 1.738 53.775 52.037 -0.000 0.000 0.623 123 A CB -0.682 18.319 19.000 0.002 0.000 0.818 123 A HN 0.183 nan 8.150 nan 0.000 0.443 124 V N -0.193 119.718 119.914 -0.005 0.000 2.343 124 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 124 V C 2.727 178.813 176.094 -0.013 0.000 1.051 124 V CA 2.421 64.715 62.300 -0.010 0.000 1.036 124 V CB -1.242 30.572 31.823 -0.016 0.000 0.654 124 V HN 0.620 nan 8.190 nan 0.000 0.451 125 T N 0.417 114.963 114.554 -0.013 0.000 2.788 125 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 125 T C 2.031 176.725 174.700 -0.009 0.000 1.044 125 T CA 1.594 63.685 62.100 -0.014 0.000 1.139 125 T CB -0.366 68.495 68.868 -0.012 0.000 0.867 125 T HN 0.574 nan 8.240 nan 0.000 0.454 126 A N 1.372 124.189 122.820 -0.005 0.000 1.897 126 A HA 0.290 4.610 4.320 -0.000 0.000 0.215 126 A C 2.664 180.247 177.584 -0.000 0.000 1.181 126 A CA 1.569 53.605 52.037 -0.002 0.000 0.620 126 A CB -1.078 17.923 19.000 0.000 0.000 0.821 126 A HN 0.486 nan 8.150 nan 0.000 0.443 127 A N -0.421 122.398 122.820 -0.001 0.000 1.908 127 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 127 A C 2.198 179.782 177.584 -0.000 0.000 1.181 127 A CA 1.872 53.910 52.037 0.001 0.000 0.627 127 A CB -0.931 18.070 19.000 0.001 0.000 0.818 127 A HN 0.400 nan 8.150 nan 0.000 0.445 128 V N -0.309 119.601 119.914 -0.006 0.000 2.407 128 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 128 V C 2.540 178.632 176.094 -0.004 0.000 1.055 128 V CA 2.313 64.609 62.300 -0.008 0.000 1.049 128 V CB -0.653 31.159 31.823 -0.018 0.000 0.662 128 V HN 0.578 nan 8.190 nan 0.000 0.455 129 E N 0.078 120.276 120.200 -0.003 0.000 2.107 129 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 129 E C 2.132 178.734 176.600 0.004 0.000 0.982 129 E CA 0.868 57.268 56.400 0.000 0.000 0.809 129 E CB -0.166 29.534 29.700 -0.000 0.000 0.756 129 E HN 0.539 nan 8.360 nan 0.000 0.459 130 E N -0.519 119.685 120.200 0.005 0.000 2.150 130 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 130 E C 1.579 178.186 176.600 0.011 0.000 0.985 130 E CA 0.370 56.775 56.400 0.009 0.000 0.814 130 E CB -0.149 29.557 29.700 0.010 0.000 0.752 130 E HN 0.146 nan 8.360 nan 0.000 0.466 131 L N 0.626 121.855 121.223 0.009 0.000 2.093 131 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 131 L C 1.734 178.610 176.870 0.011 0.000 1.085 131 L CA 1.692 56.538 54.840 0.011 0.000 0.755 131 L CB -0.282 41.781 42.059 0.008 0.000 0.904 131 L HN 0.023 nan 8.230 nan 0.000 0.435 132 K N -1.114 119.291 120.400 0.008 0.000 2.097 132 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 132 K C 2.057 178.663 176.600 0.010 0.000 1.050 132 K CA 1.173 57.465 56.287 0.008 0.000 0.938 132 K CB -0.264 32.239 32.500 0.006 0.000 0.718 132 K HN 0.323 nan 8.250 nan 0.000 0.442 133 A N 1.392 124.218 122.820 0.011 0.000 1.969 133 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 133 A C 2.036 179.629 177.584 0.015 0.000 1.169 133 A CA 0.969 53.014 52.037 0.012 0.000 0.635 133 A CB -0.436 18.571 19.000 0.012 0.000 0.810 133 A HN 0.232 nan 8.150 nan 0.000 0.445 134 L N -0.484 120.750 121.223 0.018 0.000 2.179 134 L HA -0.001 4.339 4.340 -0.000 0.000 0.208 134 L C 1.381 178.263 176.870 0.021 0.000 1.096 134 L CA 0.530 55.383 54.840 0.022 0.000 0.779 134 L CB -0.215 41.858 42.059 0.025 0.000 0.922 134 L HN 0.406 nan 8.230 nan 0.000 0.443 135 S N -0.293 115.417 115.700 0.018 0.000 2.552 135 S HA 0.073 4.543 4.470 -0.000 0.000 0.289 135 S C -0.201 174.408 174.600 0.016 0.000 1.304 135 S CA -0.429 57.781 58.200 0.016 0.000 1.063 135 S CB 0.551 63.760 63.200 0.014 0.000 0.848 135 S HN 0.063 nan 8.310 nan 0.000 0.499 136 V N 8.164 128.087 119.914 0.016 0.000 2.435 136 V HA 0.409 4.529 4.120 -0.000 0.000 0.290 136 V C -2.090 174.012 176.094 0.013 0.000 1.030 136 V CA -1.877 60.432 62.300 0.015 0.000 0.881 136 V CB 1.376 33.208 31.823 0.015 0.000 0.983 136 V HN 0.763 nan 8.190 nan 0.000 0.445 137 P HA 0.193 nan 4.420 nan 0.000 0.272 137 P C -0.783 176.523 177.300 0.010 0.000 1.223 137 P CA -0.265 62.841 63.100 0.010 0.000 0.784 137 P CB 0.508 32.214 31.700 0.009 0.000 0.923 138 C N 2.774 122.079 119.300 0.009 0.000 2.814 138 C HA 0.483 4.943 4.460 -0.000 0.000 0.269 138 C C 1.019 176.014 174.990 0.007 0.000 1.090 138 C CA 0.175 59.198 59.018 0.009 0.000 1.492 138 C CB -1.345 26.401 27.740 0.010 0.000 1.825 138 C HN 0.574 nan 8.230 nan 0.000 0.442 139 S N 1.682 117.386 115.700 0.006 0.000 3.039 139 S HA 0.129 4.599 4.470 -0.000 0.000 0.251 139 S C 0.282 174.884 174.600 0.003 0.000 1.064 139 S CA 0.025 58.228 58.200 0.005 0.000 0.822 139 S CB -0.107 63.096 63.200 0.005 0.000 0.802 139 S HN 0.938 nan 8.310 nan 0.000 0.519 140 D N 2.362 122.765 120.400 0.004 0.000 2.382 140 D HA 0.050 4.690 4.640 -0.000 0.000 0.240 140 D C 0.893 177.194 176.300 0.002 0.000 1.146 140 D CA 0.342 54.343 54.000 0.003 0.000 0.897 140 D CB 0.835 41.637 40.800 0.003 0.000 1.197 140 D HN 0.256 nan 8.370 nan 0.000 0.432 141 S N 0.420 116.121 115.700 0.002 0.000 2.595 141 S HA -0.173 4.297 4.470 -0.000 0.000 0.235 141 S C 1.462 176.063 174.600 0.002 0.000 0.974 141 S CA 0.502 58.703 58.200 0.001 0.000 0.942 141 S CB -0.243 62.957 63.200 0.000 0.000 0.766 141 S HN 0.619 nan 8.310 nan 0.000 0.536 142 K N 1.386 121.787 120.400 0.002 0.000 2.076 142 K HA 0.123 4.443 4.320 -0.000 0.000 0.204 142 K C 2.263 178.865 176.600 0.003 0.000 1.051 142 K CA 0.968 57.257 56.287 0.002 0.000 0.949 142 K CB -0.543 31.958 32.500 0.003 0.000 0.726 142 K HN 0.416 nan 8.250 nan 0.000 0.443 143 A N 1.677 124.499 122.820 0.004 0.000 1.898 143 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 143 A C 2.079 179.665 177.584 0.005 0.000 1.181 143 A CA 1.115 53.154 52.037 0.005 0.000 0.620 143 A CB -0.533 18.471 19.000 0.006 0.000 0.819 143 A HN 0.320 nan 8.150 nan 0.000 0.442 144 I N -0.072 120.500 120.570 0.004 0.000 2.194 144 I HA -0.346 3.824 4.170 -0.000 0.000 0.246 144 I C 2.954 179.073 176.117 0.004 0.000 1.093 144 I CA 1.258 62.560 61.300 0.004 0.000 1.355 144 I CB -0.402 37.599 38.000 0.002 0.000 1.046 144 I HN 0.387 nan 8.210 nan 0.000 0.413 145 A N 0.288 123.109 122.820 0.003 0.000 1.930 145 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 145 A C 2.253 179.838 177.584 0.003 0.000 1.175 145 A CA 1.402 53.440 52.037 0.002 0.000 0.627 145 A CB -0.535 18.466 19.000 0.001 0.000 0.815 145 A HN 0.504 nan 8.150 nan 0.000 0.443 146 Q N -0.374 119.427 119.800 0.003 0.000 2.050 146 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 146 Q C 2.121 178.123 176.000 0.003 0.000 0.980 146 Q CA 1.678 57.483 55.803 0.003 0.000 0.840 146 Q CB -0.468 28.272 28.738 0.003 0.000 0.898 146 Q HN 0.480 nan 8.270 nan 0.000 0.424 147 V N 0.877 120.794 119.914 0.005 0.000 2.407 147 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 147 V C 2.246 178.344 176.094 0.008 0.000 1.055 147 V CA 1.947 64.251 62.300 0.007 0.000 1.049 147 V CB -1.106 30.723 31.823 0.010 0.000 0.662 147 V HN 0.536 nan 8.190 nan 0.000 0.455 148 G N -0.544 108.260 108.800 0.007 0.000 2.421 148 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 148 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 148 G C 1.666 176.569 174.900 0.006 0.000 1.143 148 G CA 1.335 46.440 45.100 0.008 0.000 0.784 148 G HN 0.477 nan 8.290 nan 0.000 0.541 149 T N 1.358 115.914 114.554 0.003 0.000 2.777 149 T HA -0.008 4.342 4.350 -0.000 0.000 0.266 149 T C 2.370 177.069 174.700 -0.001 0.000 1.040 149 T CA 0.773 62.873 62.100 0.001 0.000 1.141 149 T CB -0.105 68.762 68.868 -0.000 0.000 0.868 149 T HN 0.235 nan 8.240 nan 0.000 0.444 150 I N 1.303 121.872 120.570 -0.001 0.000 2.252 150 I HA -0.127 4.043 4.170 -0.000 0.000 0.245 150 I C 2.400 178.516 176.117 -0.003 0.000 1.102 150 I CA 0.956 62.254 61.300 -0.003 0.000 1.385 150 I CB -0.307 37.691 38.000 -0.003 0.000 1.064 150 I HN 0.175 nan 8.210 nan 0.000 0.414 151 S N 0.706 116.408 115.700 0.002 0.000 2.515 151 S HA 0.052 4.522 4.470 -0.000 0.000 0.231 151 S C 1.570 176.172 174.600 0.004 0.000 0.987 151 S CA 0.866 59.069 58.200 0.005 0.000 0.936 151 S CB -0.051 63.157 63.200 0.013 0.000 0.766 151 S HN 0.496 nan 8.310 nan 0.000 0.528 152 A N 1.339 124.160 122.820 0.002 0.000 2.545 152 A HA 0.466 4.786 4.320 -0.000 0.000 0.277 152 A C 0.603 178.186 177.584 -0.002 0.000 1.301 152 A CA -0.418 51.620 52.037 0.001 0.000 0.935 152 A CB -0.522 18.479 19.000 0.003 0.000 1.093 152 A HN 0.356 nan 8.150 nan 0.000 0.519 153 N N -0.298 118.399 118.700 -0.005 0.000 2.756 153 N HA -0.213 4.527 4.740 -0.000 0.000 0.248 153 N C 0.184 175.689 175.510 -0.008 0.000 1.062 153 N CA 1.071 54.117 53.050 -0.008 0.000 0.696 153 N CB -1.851 36.631 38.487 -0.008 0.000 0.946 153 N HN 0.516 nan 8.380 nan 0.000 0.548 154 S N -1.594 114.102 115.700 -0.007 0.000 3.586 154 S HA -0.222 4.248 4.470 -0.000 0.000 0.309 154 S C -0.419 174.178 174.600 -0.005 0.000 1.195 154 S CA 0.781 58.977 58.200 -0.007 0.000 0.895 154 S CB -1.017 62.177 63.200 -0.009 0.000 0.983 154 S HN 0.725 nan 8.310 nan 0.000 0.563 155 D N 1.492 121.890 120.400 -0.003 0.000 2.441 155 D HA 0.233 4.873 4.640 -0.000 0.000 0.221 155 D C 1.205 177.504 176.300 -0.002 0.000 1.156 155 D CA -0.343 53.655 54.000 -0.003 0.000 0.896 155 D CB 0.490 41.288 40.800 -0.002 0.000 1.028 155 D HN 0.460 nan 8.370 nan 0.000 0.509 156 E N 1.322 121.521 120.200 -0.002 0.000 2.160 156 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 156 E C 1.406 178.006 176.600 -0.001 0.000 0.991 156 E CA 1.148 57.547 56.400 -0.001 0.000 0.810 156 E CB 0.117 29.816 29.700 -0.001 0.000 0.742 156 E HN 0.492 nan 8.360 nan 0.000 0.466 157 T N 1.298 115.852 114.554 -0.001 0.000 2.652 157 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 157 T C 2.213 176.913 174.700 -0.000 0.000 1.039 157 T CA 1.485 63.584 62.100 -0.001 0.000 1.153 157 T CB -0.367 68.500 68.868 -0.001 0.000 0.863 157 T HN 0.011 nan 8.240 nan 0.000 0.428 158 V N 1.536 121.450 119.914 0.000 0.000 2.343 158 V HA -0.116 4.004 4.120 -0.000 0.000 0.247 158 V C 2.907 179.002 176.094 0.002 0.000 1.051 158 V CA 1.954 64.255 62.300 0.001 0.000 1.036 158 V CB -1.497 30.328 31.823 0.003 0.000 0.654 158 V HN 0.617 nan 8.190 nan 0.000 0.451 159 G N -0.426 108.375 108.800 0.002 0.000 2.418 159 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.217 159 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.217 159 G C 1.647 176.547 174.900 0.001 0.000 1.158 159 G CA 1.094 46.195 45.100 0.002 0.000 0.771 159 G HN 0.500 nan 8.290 nan 0.000 0.545 160 K N -0.099 120.301 120.400 0.000 0.000 2.026 160 K HA 0.050 4.370 4.320 -0.000 0.000 0.208 160 K C 2.521 179.121 176.600 -0.001 0.000 1.048 160 K CA 0.825 57.112 56.287 -0.000 0.000 0.929 160 K CB -0.291 32.209 32.500 -0.001 0.000 0.713 160 K HN 0.322 nan 8.250 nan 0.000 0.439 161 L N 0.951 122.173 121.223 -0.001 0.000 1.989 161 L HA -0.236 4.104 4.340 -0.000 0.000 0.211 161 L C 2.426 179.295 176.870 -0.002 0.000 1.071 161 L CA 1.448 56.287 54.840 -0.002 0.000 0.749 161 L CB -0.313 41.746 42.059 -0.001 0.000 0.890 161 L HN 0.277 nan 8.230 nan 0.000 0.431 162 I N -0.668 119.901 120.570 -0.001 0.000 2.226 162 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 162 I C 2.734 178.849 176.117 -0.003 0.000 1.100 162 I CA 1.120 62.419 61.300 -0.002 0.000 1.374 162 I CB -0.499 37.501 38.000 0.001 0.000 1.057 162 I HN 0.237 nan 8.210 nan 0.000 0.413 163 A N 0.514 123.333 122.820 -0.002 0.000 1.902 163 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 163 A C 2.219 179.802 177.584 -0.003 0.000 1.181 163 A CA 1.686 53.722 52.037 -0.002 0.000 0.623 163 A CB -0.563 18.437 19.000 -0.001 0.000 0.818 163 A HN 0.434 nan 8.150 nan 0.000 0.443 164 E N -0.316 119.882 120.200 -0.003 0.000 2.051 164 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 164 E C 2.357 178.954 176.600 -0.005 0.000 0.991 164 E CA 0.983 57.381 56.400 -0.003 0.000 0.799 164 E CB -0.288 29.410 29.700 -0.003 0.000 0.748 164 E HN 0.620 nan 8.360 nan 0.000 0.449 165 A N 1.191 124.007 122.820 -0.006 0.000 1.877 165 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 165 A C 2.176 179.755 177.584 -0.009 0.000 1.186 165 A CA 1.384 53.416 52.037 -0.008 0.000 0.620 165 A CB -0.466 18.528 19.000 -0.009 0.000 0.822 165 A HN 0.144 nan 8.150 nan 0.000 0.443 166 M N -0.884 118.711 119.600 -0.008 0.000 2.279 166 M HA -0.171 4.309 4.480 -0.000 0.000 0.264 166 M C 1.796 178.092 176.300 -0.007 0.000 1.062 166 M CA 1.933 57.228 55.300 -0.009 0.000 1.099 166 M CB -0.563 32.032 32.600 -0.008 0.000 1.394 166 M HN 0.544 nan 8.290 nan 0.000 0.426 167 D N 0.476 120.873 120.400 -0.005 0.000 2.149 167 D HA -0.123 4.517 4.640 -0.000 0.000 0.201 167 D C 2.027 178.324 176.300 -0.005 0.000 0.972 167 D CA 1.118 55.116 54.000 -0.004 0.000 0.835 167 D CB 0.262 41.060 40.800 -0.003 0.000 0.966 167 D HN 0.010 nan 8.370 nan 0.000 0.476 168 K N 0.046 120.443 120.400 -0.005 0.000 1.973 168 K HA -0.073 4.247 4.320 -0.000 0.000 0.212 168 K C 2.127 178.724 176.600 -0.006 0.000 1.047 168 K CA 1.543 57.827 56.287 -0.006 0.000 0.937 168 K CB -0.721 31.775 32.500 -0.006 0.000 0.721 168 K HN 0.294 nan 8.250 nan 0.000 0.440 169 V N -2.309 117.601 119.914 -0.008 0.000 3.649 169 V HA 0.294 4.414 4.120 -0.000 0.000 0.275 169 V C 0.739 176.828 176.094 -0.008 0.000 1.281 169 V CA 0.328 62.623 62.300 -0.008 0.000 1.143 169 V CB -0.741 31.075 31.823 -0.010 0.000 0.892 169 V HN 0.435 nan 8.190 nan 0.000 0.441 170 G N 0.798 109.593 108.800 -0.008 0.000 2.730 170 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.686 170 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.686 170 G C 0.073 174.968 174.900 -0.009 0.000 1.343 170 G CA 0.046 45.142 45.100 -0.007 0.000 0.826 170 G HN 0.328 nan 8.290 nan 0.000 0.582 171 K N 0.071 120.467 120.400 -0.007 0.000 2.152 171 K HA -0.091 4.229 4.320 -0.000 0.000 0.206 171 K C 1.957 178.550 176.600 -0.012 0.000 1.048 171 K CA 1.769 58.051 56.287 -0.009 0.000 0.933 171 K CB -0.020 32.477 32.500 -0.005 0.000 0.721 171 K HN 0.534 nan 8.250 nan 0.000 0.447 172 E N 0.296 120.490 120.200 -0.010 0.000 2.442 172 E HA 0.016 4.366 4.350 -0.000 0.000 0.195 172 E C 1.043 177.634 176.600 -0.014 0.000 1.030 172 E CA 0.108 56.501 56.400 -0.011 0.000 0.869 172 E CB 0.005 29.701 29.700 -0.007 0.000 0.857 172 E HN 0.263 nan 8.360 nan 0.000 0.505 173 G N 1.313 110.105 108.800 -0.014 0.000 2.771 173 G HA2 0.123 4.083 3.960 -0.000 0.000 0.242 173 G HA3 0.123 4.083 3.960 -0.000 0.000 0.242 173 G C 0.096 174.983 174.900 -0.023 0.000 1.233 173 G CA -0.392 44.699 45.100 -0.015 0.000 0.858 173 G HN -0.009 nan 8.290 nan 0.000 0.591 174 V N 1.414 121.315 119.914 -0.021 0.000 2.407 174 V HA 0.358 4.478 4.120 -0.000 0.000 0.278 174 V C 0.313 176.389 176.094 -0.030 0.000 1.037 174 V CA -0.143 62.139 62.300 -0.029 0.000 0.900 174 V CB 0.953 32.761 31.823 -0.024 0.000 0.983 174 V HN 0.463 nan 8.190 nan 0.000 0.459 175 I N 4.251 124.798 120.570 -0.039 0.000 2.436 175 I HA 0.465 4.635 4.170 -0.000 0.000 0.289 175 I C 0.033 176.129 176.117 -0.035 0.000 1.010 175 I CA -0.148 61.132 61.300 -0.033 0.000 1.098 175 I CB 2.181 40.161 38.000 -0.032 0.000 1.266 175 I HN 0.499 nan 8.210 nan 0.000 0.434 176 T N 5.223 119.761 114.554 -0.026 0.000 2.912 176 T HA 0.576 4.926 4.350 -0.000 0.000 0.288 176 T C -0.896 173.795 174.700 -0.015 0.000 1.030 176 T CA -0.563 61.524 62.100 -0.023 0.000 1.020 176 T CB 2.596 71.451 68.868 -0.022 0.000 1.056 176 T HN 0.372 nan 8.240 nan 0.000 0.480 177 V N 2.616 122.524 119.914 -0.011 0.000 2.760 177 V HA 0.835 4.955 4.120 -0.000 0.000 0.309 177 V C -1.520 174.572 176.094 -0.005 0.000 1.077 177 V CA -0.607 61.690 62.300 -0.006 0.000 0.910 177 V CB 1.716 33.538 31.823 -0.002 0.000 1.008 177 V HN 1.061 nan 8.190 nan 0.000 0.424 178 E N 3.281 123.478 120.200 -0.005 0.000 2.449 178 E HA 0.493 4.843 4.350 -0.000 0.000 0.278 178 E C -1.630 174.967 176.600 -0.005 0.000 0.992 178 E CA -1.116 55.281 56.400 -0.005 0.000 0.807 178 E CB 1.351 31.046 29.700 -0.008 0.000 1.350 178 E HN 0.548 nan 8.360 nan 0.000 0.462 179 D N 0.779 121.177 120.400 -0.004 0.000 2.506 179 D HA 0.139 4.779 4.640 -0.000 0.000 0.234 179 D C 0.263 176.560 176.300 -0.005 0.000 1.143 179 D CA 0.764 54.762 54.000 -0.004 0.000 0.871 179 D CB 0.752 41.549 40.800 -0.004 0.000 1.190 179 D HN 0.556 nan 8.370 nan 0.000 0.459 180 G N -0.482 108.315 108.800 -0.004 0.000 2.528 180 G HA2 0.329 4.289 3.960 -0.000 0.000 0.289 180 G HA3 0.329 4.289 3.960 -0.000 0.000 0.289 180 G C 0.893 175.790 174.900 -0.005 0.000 1.192 180 G CA -0.293 44.804 45.100 -0.005 0.000 0.921 180 G HN 0.446 nan 8.290 nan 0.000 0.512 181 T N -3.094 111.457 114.554 -0.005 0.000 3.107 181 T HA 0.487 4.837 4.350 -0.000 0.000 0.249 181 T C 0.860 175.557 174.700 -0.004 0.000 1.096 181 T CA 0.543 62.640 62.100 -0.005 0.000 1.012 181 T CB -0.135 68.730 68.868 -0.006 0.000 0.977 181 T HN 1.992 nan 8.240 nan 0.000 0.527 182 G N 1.257 110.054 108.800 -0.004 0.000 2.462 182 G HA2 0.237 4.197 3.960 -0.000 0.000 0.424 182 G HA3 0.237 4.197 3.960 -0.000 0.000 0.424 182 G C -0.573 174.325 174.900 -0.003 0.000 1.573 182 G CA -0.739 44.358 45.100 -0.003 0.000 0.913 182 G HN 0.514 nan 8.290 nan 0.000 0.672 183 L N 1.562 122.783 121.223 -0.003 0.000 5.090 183 L HA -0.147 4.193 4.340 -0.000 0.000 0.471 183 L C -0.116 176.753 176.870 -0.003 0.000 1.241 183 L CA 2.032 56.870 54.840 -0.003 0.000 0.601 183 L CB -1.136 40.921 42.059 -0.002 0.000 1.240 183 L HN 0.963 nan 8.230 nan 0.000 0.641 184 Q N 1.954 121.753 119.800 -0.003 0.000 3.349 184 Q HA 0.078 4.418 4.340 -0.000 0.000 0.159 184 Q C -1.232 174.766 176.000 -0.003 0.000 0.979 184 Q CA -0.603 55.198 55.803 -0.003 0.000 1.248 184 Q CB 0.787 29.523 28.738 -0.003 0.000 1.740 184 Q HN 0.515 nan 8.270 nan 0.000 0.602 185 D N 2.594 122.993 120.400 -0.003 0.000 2.344 185 D HA 0.277 4.917 4.640 -0.000 0.000 0.244 185 D C -0.256 176.041 176.300 -0.004 0.000 1.134 185 D CA 0.241 54.239 54.000 -0.003 0.000 0.930 185 D CB 0.999 41.797 40.800 -0.003 0.000 1.175 185 D HN 0.342 nan 8.370 nan 0.000 0.437 186 E N -0.049 120.149 120.200 -0.004 0.000 2.314 186 E HA 0.498 4.848 4.350 -0.000 0.000 0.272 186 E C -1.185 175.412 176.600 -0.005 0.000 0.884 186 E CA -0.905 55.492 56.400 -0.005 0.000 0.753 186 E CB 2.547 32.244 29.700 -0.005 0.000 1.213 186 E HN 0.077 nan 8.360 nan 0.000 0.432 187 L N 2.433 123.653 121.223 -0.005 0.000 2.406 187 L HA 0.535 4.875 4.340 -0.000 0.000 0.272 187 L C -1.770 175.096 176.870 -0.006 0.000 0.980 187 L CA -0.098 54.739 54.840 -0.006 0.000 0.831 187 L CB 1.386 43.442 42.059 -0.005 0.000 1.253 187 L HN 0.470 nan 8.230 nan 0.000 0.406 188 D N 3.904 124.300 120.400 -0.007 0.000 2.756 188 D HA 0.449 5.089 4.640 -0.000 0.000 0.226 188 D C -1.179 175.116 176.300 -0.007 0.000 1.186 188 D CA -0.257 53.739 54.000 -0.006 0.000 0.845 188 D CB 2.967 43.763 40.800 -0.007 0.000 1.610 188 D HN 0.269 nan 8.370 nan 0.000 0.465 189 V N 1.510 121.420 119.914 -0.006 0.000 2.427 189 V HA 0.511 4.631 4.120 -0.000 0.000 0.286 189 V C 0.528 176.619 176.094 -0.005 0.000 1.034 189 V CA -0.557 61.740 62.300 -0.006 0.000 0.893 189 V CB 1.408 33.228 31.823 -0.006 0.000 0.982 189 V HN 0.470 nan 8.190 nan 0.000 0.452 190 V N 1.478 121.389 119.914 -0.005 0.000 3.158 190 V HA 0.705 4.825 4.120 -0.000 0.000 0.311 190 V C -0.374 175.718 176.094 -0.002 0.000 1.181 190 V CA -1.059 61.238 62.300 -0.004 0.000 1.054 190 V CB 2.156 33.975 31.823 -0.006 0.000 1.085 190 V HN 0.654 nan 8.190 nan 0.000 0.446 191 E N 1.335 121.534 120.200 -0.001 0.000 2.351 191 E HA 0.577 4.927 4.350 -0.000 0.000 0.266 191 E C 0.247 176.851 176.600 0.006 0.000 1.031 191 E CA 1.102 57.504 56.400 0.003 0.000 0.911 191 E CB 0.605 30.307 29.700 0.003 0.000 0.986 191 E HN 1.249 nan 8.360 nan 0.000 0.446 192 G N 1.361 110.168 108.800 0.011 0.000 2.441 192 G HA2 0.550 4.510 3.960 -0.000 0.000 0.294 192 G HA3 0.550 4.510 3.960 -0.000 0.000 0.294 192 G C -1.237 173.681 174.900 0.029 0.000 1.393 192 G CA -0.653 44.458 45.100 0.018 0.000 0.796 192 G HN 0.403 nan 8.290 nan 0.000 0.494 193 M N -0.447 119.179 119.600 0.044 0.000 2.833 193 M HA 0.611 5.091 4.480 -0.000 0.000 0.270 193 M C -2.226 174.117 176.300 0.071 0.000 1.209 193 M CA -0.688 54.654 55.300 0.070 0.000 0.826 193 M CB 2.482 35.146 32.600 0.107 0.000 1.657 193 M HN 0.787 nan 8.290 nan 0.000 0.492 194 Q N 2.513 122.364 119.800 0.085 0.000 2.315 194 Q HA 0.657 4.997 4.340 -0.000 0.000 0.273 194 Q C -2.238 173.832 176.000 0.117 0.000 1.053 194 Q CA -0.657 55.150 55.803 0.006 0.000 0.817 194 Q CB 2.162 30.872 28.738 -0.046 0.000 1.326 194 Q HN 0.579 nan 8.270 nan 0.000 0.423 195 F N -0.216 119.729 119.950 -0.009 0.000 2.620 195 F HA 0.546 5.073 4.527 -0.000 0.000 0.320 195 F C -0.572 175.225 175.800 -0.005 0.000 1.069 195 F CA -1.209 56.789 58.000 -0.005 0.000 0.953 195 F CB 1.136 40.136 39.000 -0.001 0.000 1.322 195 F HN 0.309 nan 8.300 nan 0.000 0.479 196 D N 3.005 123.529 120.400 0.207 0.000 2.608 196 D HA 0.192 4.832 4.640 -0.000 0.000 0.224 196 D C -0.320 176.054 176.300 0.123 0.000 1.123 196 D CA 0.232 54.289 54.000 0.095 0.000 1.030 196 D CB -0.040 40.811 40.800 0.085 0.000 1.093 196 D HN 0.300 nan 8.370 nan 0.000 0.497 197 R N 0.370 120.908 120.500 0.063 0.000 2.522 197 R HA 0.502 4.842 4.340 -0.000 0.000 0.283 197 R C 0.175 176.431 176.300 -0.072 0.000 1.074 197 R CA -0.698 55.450 56.100 0.080 0.000 0.925 197 R CB 2.133 32.617 30.300 0.306 0.000 1.205 197 R HN 0.236 nan 8.270 nan 0.000 0.436 198 G N 1.039 109.775 108.800 -0.108 0.000 2.613 198 G HA2 0.449 4.409 3.960 -0.000 0.000 0.303 198 G HA3 0.449 4.409 3.960 -0.000 0.000 0.303 198 G C -0.662 174.149 174.900 -0.148 0.000 1.312 198 G CA -0.599 44.355 45.100 -0.244 0.000 1.036 198 G HN 0.449 nan 8.290 nan 0.000 0.513 199 Y N -0.924 119.419 120.300 0.072 0.000 2.712 199 Y HA 0.217 4.767 4.550 -0.000 0.000 0.333 199 Y C 1.184 177.199 175.900 0.193 0.000 1.225 199 Y CA -0.915 57.277 58.100 0.153 0.000 1.499 199 Y CB 0.280 38.877 38.460 0.228 0.000 1.288 199 Y HN 0.189 nan 8.280 nan 0.000 0.575 200 L N 2.311 123.810 121.223 0.460 0.000 2.622 200 L HA 0.049 4.389 4.340 -0.000 0.000 0.233 200 L C 0.654 177.757 176.870 0.388 0.000 1.156 200 L CA 1.028 56.085 54.840 0.361 0.000 0.866 200 L CB -0.354 41.896 42.059 0.318 0.000 0.980 200 L HN 0.844 nan 8.230 nan 0.000 0.448 201 S N -2.100 113.910 115.700 0.517 0.000 2.578 201 S HA 0.356 4.826 4.470 -0.000 0.000 0.285 201 S C -2.702 171.892 174.600 -0.010 0.000 1.126 201 S CA -0.997 57.337 58.200 0.223 0.000 0.878 201 S CB 1.591 64.763 63.200 -0.046 0.000 1.091 201 S HN -0.259 nan 8.310 nan 0.000 0.450 202 P HA 0.444 nan 4.420 nan 0.000 0.333 202 P C 0.016 177.060 177.300 -0.426 0.000 1.343 202 P CA 0.432 63.112 63.100 -0.700 0.000 0.761 202 P CB 0.016 31.341 31.700 -0.624 0.000 1.701 203 Y N -4.806 115.299 120.300 -0.324 0.000 2.884 203 Y HA -0.296 4.254 4.550 -0.000 0.000 0.483 203 Y C 1.821 177.620 175.900 -0.168 0.000 1.209 203 Y CA 1.425 59.371 58.100 -0.256 0.000 2.681 203 Y CB -2.930 35.324 38.460 -0.343 0.000 0.894 203 Y HN 0.113 nan 8.280 nan 0.000 0.529 204 F N 0.735 120.677 119.950 -0.014 0.000 2.408 204 F HA -0.010 4.517 4.527 0.000 0.000 0.300 204 F C 1.434 177.192 175.800 -0.070 0.000 1.090 204 F CA 0.516 58.504 58.000 -0.020 0.000 1.427 204 F CB -0.522 38.479 39.000 0.001 0.000 1.070 204 F HN -0.022 nan 8.300 nan 0.000 0.549 205 I N 2.105 122.668 120.570 -0.013 0.000 2.668 205 I HA -0.131 4.039 4.170 -0.000 0.000 0.285 205 I C 0.515 176.632 176.117 -0.000 0.000 1.168 205 I CA 0.441 61.704 61.300 -0.061 0.000 1.424 205 I CB 0.169 38.056 38.000 -0.189 0.000 1.377 205 I HN 0.170 nan 8.210 nan 0.000 0.560 206 N N 4.641 123.355 118.700 0.022 0.000 2.241 206 N HA 0.098 4.838 4.740 -0.000 0.000 0.238 206 N C -0.301 175.219 175.510 0.016 0.000 1.244 206 N CA -0.345 52.720 53.050 0.025 0.000 0.880 206 N CB 0.580 39.091 38.487 0.040 0.000 1.179 206 N HN 0.308 nan 8.380 nan 0.000 0.513 207 K N 1.047 121.452 120.400 0.009 0.000 3.301 207 K HA 0.263 4.583 4.320 -0.000 0.000 0.170 207 K C -2.093 174.507 176.600 0.001 0.000 1.061 207 K CA -1.370 54.922 56.287 0.009 0.000 0.807 207 K CB 1.796 34.306 32.500 0.018 0.000 0.889 207 K HN 0.003 nan 8.250 nan 0.000 0.564 208 P HA -0.276 nan 4.420 nan 0.000 0.219 208 P C 0.604 177.895 177.300 -0.015 0.000 1.153 208 P CA 1.632 64.718 63.100 -0.024 0.000 0.865 208 P CB 0.530 32.215 31.700 -0.026 0.000 0.788 209 E N 0.300 120.496 120.200 -0.007 0.000 2.026 209 E HA -0.177 4.173 4.350 -0.000 0.000 0.206 209 E C 2.081 178.680 176.600 -0.003 0.000 1.028 209 E CA 2.460 58.857 56.400 -0.005 0.000 0.845 209 E CB -1.753 27.947 29.700 -0.001 0.000 0.772 209 E HN 0.409 nan 8.360 nan 0.000 0.462 210 T N -2.382 112.177 114.554 0.008 0.000 3.148 210 T HA 0.262 4.612 4.350 -0.000 0.000 0.253 210 T C 1.430 176.150 174.700 0.034 0.000 1.134 210 T CA 0.216 62.328 62.100 0.020 0.000 1.051 210 T CB -0.121 68.766 68.868 0.032 0.000 0.959 210 T HN 0.418 nan 8.240 nan 0.000 0.525 211 G N 1.114 109.929 108.800 0.025 0.000 2.305 211 G HA2 0.020 3.980 3.960 -0.000 0.000 0.287 211 G HA3 0.020 3.980 3.960 -0.000 0.000 0.287 211 G C 0.141 175.105 174.900 0.106 0.000 1.036 211 G CA 0.052 45.176 45.100 0.040 0.000 0.887 211 G HN 1.178 nan 8.290 nan 0.000 0.505 212 A N -1.346 121.524 122.820 0.082 0.000 2.386 212 A HA 0.902 5.222 4.320 -0.000 0.000 0.308 212 A C -0.135 177.501 177.584 0.087 0.000 1.128 212 A CA -0.369 51.740 52.037 0.119 0.000 0.789 212 A CB 2.063 21.113 19.000 0.083 0.000 1.325 212 A HN 1.118 nan 8.150 nan 0.000 0.437 213 V N 1.081 121.064 119.914 0.114 0.000 2.394 213 V HA 0.461 4.581 4.120 -0.000 0.000 0.282 213 V C -0.012 176.110 176.094 0.047 0.000 1.031 213 V CA -0.264 62.086 62.300 0.082 0.000 0.881 213 V CB 1.141 33.029 31.823 0.109 0.000 0.982 213 V HN 0.919 nan 8.190 nan 0.000 0.451 214 E N 4.925 125.143 120.200 0.030 0.000 2.235 214 E HA 0.556 4.906 4.350 -0.000 0.000 0.252 214 E C -1.497 175.105 176.600 0.004 0.000 0.886 214 E CA -0.494 55.914 56.400 0.013 0.000 0.767 214 E CB 1.170 30.877 29.700 0.012 0.000 1.205 214 E HN 0.638 nan 8.360 nan 0.000 0.421 215 L N 3.388 124.607 121.223 -0.007 0.000 2.325 215 L HA 0.514 4.854 4.340 -0.000 0.000 0.278 215 L C -0.006 176.849 176.870 -0.026 0.000 1.023 215 L CA -0.840 53.992 54.840 -0.014 0.000 0.811 215 L CB 1.685 43.733 42.059 -0.020 0.000 1.249 215 L HN 0.448 nan 8.230 nan 0.000 0.431 216 E N 1.246 121.427 120.200 -0.033 0.000 2.171 216 E HA 0.262 4.612 4.350 -0.000 0.000 0.271 216 E C -0.286 176.268 176.600 -0.076 0.000 0.916 216 E CA -0.576 55.797 56.400 -0.045 0.000 0.774 216 E CB 1.751 31.430 29.700 -0.035 0.000 1.128 216 E HN 0.611 nan 8.360 nan 0.000 0.403 217 S N 1.750 117.393 115.700 -0.095 0.000 3.549 217 S HA -0.126 4.344 4.470 -0.000 0.000 0.366 217 S C -2.069 172.384 174.600 -0.245 0.000 1.012 217 S CA 0.431 58.536 58.200 -0.157 0.000 1.141 217 S CB -1.284 61.826 63.200 -0.151 0.000 0.910 217 S HN 0.481 nan 8.310 nan 0.000 0.471 218 P HA 0.480 nan 4.420 nan 0.000 0.278 218 P C -0.173 176.993 177.300 -0.222 0.000 1.258 218 P CA -0.570 62.428 63.100 -0.169 0.000 0.811 218 P CB 0.523 32.189 31.700 -0.056 0.000 1.063 219 F N 0.177 120.127 119.950 -0.001 0.000 2.397 219 F HA 0.433 4.960 4.527 -0.000 0.000 0.331 219 F C 0.806 176.606 175.800 0.001 0.000 1.090 219 F CA -0.441 57.560 58.000 0.001 0.000 1.065 219 F CB 0.805 39.805 39.000 0.000 0.000 1.184 219 F HN 0.040 nan 8.300 nan 0.000 0.499 220 I N 4.616 125.316 120.570 0.217 0.000 2.382 220 I HA 0.245 4.415 4.170 -0.000 0.000 0.286 220 I C -1.140 175.033 176.117 0.093 0.000 1.002 220 I CA -0.928 60.445 61.300 0.121 0.000 1.135 220 I CB 1.651 39.705 38.000 0.091 0.000 1.288 220 I HN 0.266 nan 8.210 nan 0.000 0.448 221 L N 8.440 129.702 121.223 0.065 0.000 2.260 221 L HA 0.445 4.785 4.340 -0.000 0.000 0.289 221 L C -0.834 176.051 176.870 0.025 0.000 1.057 221 L CA 0.049 54.910 54.840 0.035 0.000 0.811 221 L CB 0.625 42.697 42.059 0.022 0.000 1.184 221 L HN 0.462 nan 8.230 nan 0.000 0.429 222 L N 6.633 127.865 121.223 0.014 0.000 2.297 222 L HA 0.640 4.980 4.340 -0.000 0.000 0.277 222 L C 0.046 176.913 176.870 -0.005 0.000 1.040 222 L CA -0.401 54.439 54.840 0.000 0.000 0.867 222 L CB 0.870 42.924 42.059 -0.008 0.000 1.244 222 L HN 0.786 nan 8.230 nan 0.000 0.433 223 A N 1.677 124.496 122.820 -0.002 0.000 2.273 223 A HA 0.353 4.673 4.320 -0.000 0.000 0.315 223 A C -0.421 177.161 177.584 -0.003 0.000 1.256 223 A CA -0.541 51.495 52.037 -0.001 0.000 0.851 223 A CB 0.693 19.696 19.000 0.006 0.000 1.172 223 A HN 0.661 nan 8.150 nan 0.000 0.508 224 D N 3.057 123.453 120.400 -0.007 0.000 2.470 224 D HA 0.423 5.063 4.640 -0.000 0.000 0.226 224 D C 0.056 176.357 176.300 0.002 0.000 1.196 224 D CA 0.324 54.320 54.000 -0.007 0.000 0.979 224 D CB -0.555 40.238 40.800 -0.013 0.000 1.059 224 D HN 0.649 nan 8.370 nan 0.000 0.515 225 K N 0.232 120.637 120.400 0.009 0.000 3.957 225 K HA 0.186 4.506 4.320 -0.000 0.000 0.464 225 K C -1.419 175.194 176.600 0.021 0.000 1.065 225 K CA -1.193 55.103 56.287 0.015 0.000 0.865 225 K CB 0.252 32.759 32.500 0.012 0.000 1.556 225 K HN -0.062 nan 8.250 nan 0.000 0.597 226 K N 1.050 121.465 120.400 0.024 0.000 2.185 226 K HA 0.475 4.795 4.320 -0.000 0.000 0.269 226 K C -0.662 175.956 176.600 0.029 0.000 0.987 226 K CA -0.641 55.665 56.287 0.031 0.000 0.865 226 K CB 1.190 33.709 32.500 0.032 0.000 1.090 226 K HN 0.362 nan 8.250 nan 0.000 0.450 227 I N 2.330 122.921 120.570 0.035 0.000 2.307 227 I HA 0.076 4.246 4.170 -0.000 0.000 0.289 227 I C 0.482 176.622 176.117 0.038 0.000 1.021 227 I CA -0.034 61.286 61.300 0.034 0.000 1.224 227 I CB 1.491 39.513 38.000 0.037 0.000 1.376 227 I HN 0.648 nan 8.210 nan 0.000 0.470 228 S N 4.029 119.747 115.700 0.031 0.000 2.526 228 S HA 0.237 4.707 4.470 -0.000 0.000 0.220 228 S C 0.354 174.969 174.600 0.025 0.000 1.017 228 S CA -0.204 58.014 58.200 0.030 0.000 0.930 228 S CB 0.169 63.384 63.200 0.025 0.000 0.856 228 S HN 0.613 nan 8.310 nan 0.000 0.497 229 N N 1.039 119.752 118.700 0.023 0.000 2.410 229 N HA 0.353 5.092 4.740 -0.000 0.000 0.287 229 N C -0.361 175.161 175.510 0.020 0.000 1.044 229 N CA -0.272 52.789 53.050 0.019 0.000 0.881 229 N CB 2.048 40.543 38.487 0.014 0.000 1.405 229 N HN 0.034 nan 8.380 nan 0.000 0.490 230 I N 1.804 122.387 120.570 0.021 0.000 3.164 230 I HA -0.139 4.031 4.170 -0.000 0.000 0.278 230 I C 2.328 178.454 176.117 0.014 0.000 1.320 230 I CA 0.738 62.051 61.300 0.022 0.000 1.422 230 I CB 0.005 38.019 38.000 0.024 0.000 1.066 230 I HN 0.442 nan 8.210 nan 0.000 0.503 231 R N 0.864 121.371 120.500 0.011 0.000 2.092 231 R HA -0.175 4.165 4.340 -0.000 0.000 0.231 231 R C 1.808 178.111 176.300 0.005 0.000 1.119 231 R CA 1.583 57.687 56.100 0.007 0.000 0.970 231 R CB -0.037 30.266 30.300 0.006 0.000 0.864 231 R HN 0.482 nan 8.270 nan 0.000 0.440 232 E N -0.243 119.961 120.200 0.007 0.000 2.208 232 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 232 E C 1.959 178.560 176.600 0.003 0.000 0.988 232 E CA 0.793 57.195 56.400 0.004 0.000 0.828 232 E CB 0.066 29.770 29.700 0.006 0.000 0.763 232 E HN 0.298 nan 8.360 nan 0.000 0.478 233 M N 0.526 120.130 119.600 0.007 0.000 2.123 233 M HA -0.083 4.397 4.480 -0.000 0.000 0.263 233 M C 2.369 178.669 176.300 0.000 0.000 1.069 233 M CA 1.164 56.468 55.300 0.006 0.000 1.133 233 M CB -0.968 31.642 32.600 0.017 0.000 1.356 233 M HN 0.160 nan 8.290 nan 0.000 0.415 234 L N 0.340 121.564 121.223 0.003 0.000 2.077 234 L HA -0.304 4.035 4.340 -0.000 0.000 0.231 234 L C -0.207 176.658 176.870 -0.009 0.000 1.100 234 L CA 2.284 57.123 54.840 -0.001 0.000 0.819 234 L CB -2.888 39.171 42.059 -0.000 0.000 0.913 234 L HN 0.208 nan 8.230 nan 0.000 0.446 235 P HA -0.144 nan 4.420 nan 0.000 0.215 235 P C 1.855 179.135 177.300 -0.033 0.000 1.157 235 P CA 1.730 64.817 63.100 -0.021 0.000 0.868 235 P CB -0.039 31.649 31.700 -0.020 0.000 0.788 236 V N 0.199 120.092 119.914 -0.034 0.000 2.453 236 V HA -0.165 3.955 4.120 -0.000 0.000 0.247 236 V C 2.838 178.903 176.094 -0.048 0.000 1.048 236 V CA 1.311 63.580 62.300 -0.053 0.000 1.049 236 V CB -1.177 30.619 31.823 -0.044 0.000 0.672 236 V HN 0.004 nan 8.190 nan 0.000 0.457 237 L N -0.196 121.014 121.223 -0.022 0.000 2.201 237 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 237 L C 2.453 179.318 176.870 -0.008 0.000 1.105 237 L CA 1.433 56.269 54.840 -0.006 0.000 0.775 237 L CB -0.461 41.604 42.059 0.009 0.000 0.913 237 L HN 0.443 nan 8.230 nan 0.000 0.440 238 E N -0.108 120.082 120.200 -0.017 0.000 2.230 238 E HA -0.053 4.297 4.350 -0.000 0.000 0.192 238 E C 2.268 178.851 176.600 -0.028 0.000 0.987 238 E CA 0.757 57.148 56.400 -0.015 0.000 0.841 238 E CB 0.004 29.696 29.700 -0.013 0.000 0.783 238 E HN 0.450 nan 8.360 nan 0.000 0.481 239 A N 1.026 123.813 122.820 -0.055 0.000 1.968 239 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 239 A C 2.365 179.885 177.584 -0.106 0.000 1.169 239 A CA 0.764 52.746 52.037 -0.091 0.000 0.638 239 A CB -0.256 18.662 19.000 -0.135 0.000 0.812 239 A HN 0.100 nan 8.150 nan 0.000 0.446 240 V N -0.464 119.398 119.914 -0.086 0.000 2.719 240 V HA -0.095 4.025 4.120 -0.000 0.000 0.252 240 V C 2.904 179.030 176.094 0.053 0.000 1.065 240 V CA 1.355 63.645 62.300 -0.016 0.000 1.086 240 V CB -0.665 31.172 31.823 0.024 0.000 0.700 240 V HN 0.584 nan 8.190 nan 0.000 0.467 241 A N -0.152 122.683 122.820 0.025 0.000 1.902 241 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 241 A C 1.508 179.115 177.584 0.037 0.000 1.181 241 A CA 1.096 53.153 52.037 0.033 0.000 0.623 241 A CB -0.179 18.832 19.000 0.019 0.000 0.818 241 A HN 0.530 nan 8.150 nan 0.000 0.443 242 K N -2.638 117.777 120.400 0.025 0.000 2.118 242 K HA 0.468 4.788 4.320 -0.000 0.000 0.240 242 K C 1.094 177.732 176.600 0.063 0.000 1.035 242 K CA 0.169 56.474 56.287 0.030 0.000 0.899 242 K CB 0.298 32.804 32.500 0.011 0.000 1.085 242 K HN 0.643 nan 8.250 nan 0.000 0.498 243 A N 0.185 123.050 122.820 0.075 0.000 3.275 243 A HA -0.229 4.091 4.320 -0.000 0.000 0.241 243 A C 1.268 178.924 177.584 0.119 0.000 0.607 243 A CA 1.871 53.985 52.037 0.129 0.000 1.181 243 A CB -2.456 16.687 19.000 0.239 0.000 1.304 243 A HN 1.556 nan 8.150 nan 0.000 0.682 244 G N -0.823 108.042 108.800 0.109 0.000 2.272 244 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.280 244 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.280 244 G C -0.166 174.782 174.900 0.079 0.000 1.067 244 G CA 1.473 46.621 45.100 0.080 0.000 0.902 244 G HN 1.177 nan 8.290 nan 0.000 0.500 245 K N 0.301 120.781 120.400 0.133 0.000 2.281 245 K HA 0.611 4.931 4.320 -0.000 0.000 0.242 245 K C -2.180 174.483 176.600 0.106 0.000 0.971 245 K CA -2.071 54.259 56.287 0.072 0.000 0.834 245 K CB 2.646 35.114 32.500 -0.054 0.000 1.181 245 K HN 0.079 nan 8.250 nan 0.000 0.435 246 P HA 0.168 nan 4.420 nan 0.000 0.275 246 P C -1.227 176.128 177.300 0.092 0.000 1.266 246 P CA -0.513 62.619 63.100 0.053 0.000 0.793 246 P CB 0.670 32.379 31.700 0.014 0.000 1.074 247 L N 0.653 121.918 121.223 0.071 0.000 2.431 247 L HA 0.541 4.881 4.340 -0.000 0.000 0.266 247 L C -1.544 175.335 176.870 0.016 0.000 0.978 247 L CA -0.968 53.924 54.840 0.086 0.000 0.822 247 L CB 1.764 43.879 42.059 0.094 0.000 1.310 247 L HN 0.151 nan 8.230 nan 0.000 0.409 248 L N 5.909 127.149 121.223 0.029 0.000 2.287 248 L HA 0.628 4.968 4.340 -0.000 0.000 0.287 248 L C -1.165 175.712 176.870 0.011 0.000 1.022 248 L CA -0.203 54.633 54.840 -0.007 0.000 0.814 248 L CB 1.155 43.225 42.059 0.018 0.000 1.217 248 L HN 0.448 nan 8.230 nan 0.000 0.420 249 I N 7.090 127.648 120.570 -0.021 0.000 2.312 249 I HA 0.306 4.476 4.170 -0.000 0.000 0.290 249 I C -0.171 175.965 176.117 0.032 0.000 1.008 249 I CA -0.188 61.117 61.300 0.007 0.000 1.226 249 I CB 1.085 39.085 38.000 -0.001 0.000 1.371 249 I HN 0.570 nan 8.210 nan 0.000 0.468 250 I N 6.039 126.636 120.570 0.045 0.000 2.460 250 I HA 0.504 4.674 4.170 -0.000 0.000 0.277 250 I C 0.272 176.403 176.117 0.023 0.000 1.057 250 I CA -0.185 61.147 61.300 0.055 0.000 1.179 250 I CB 1.251 39.282 38.000 0.052 0.000 1.329 250 I HN 0.650 nan 8.210 nan 0.000 0.478 251 A N 4.162 127.002 122.820 0.034 0.000 2.389 251 A HA 0.460 4.780 4.320 -0.000 0.000 0.293 251 A C 0.936 178.537 177.584 0.029 0.000 1.186 251 A CA -0.511 51.541 52.037 0.025 0.000 0.828 251 A CB 1.308 20.328 19.000 0.032 0.000 1.369 251 A HN 0.678 nan 8.150 nan 0.000 0.446 252 E N -0.736 119.480 120.200 0.027 0.000 2.160 252 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 252 E C -0.378 176.251 176.600 0.049 0.000 0.991 252 E CA 1.461 57.881 56.400 0.034 0.000 0.810 252 E CB 0.175 29.894 29.700 0.033 0.000 0.742 252 E HN 0.577 nan 8.360 nan 0.000 0.466 253 D N -2.025 118.406 120.400 0.052 0.000 2.783 253 D HA 0.108 4.748 4.640 -0.000 0.000 0.253 253 D C -1.888 174.452 176.300 0.066 0.000 1.206 253 D CA -0.451 53.587 54.000 0.064 0.000 0.740 253 D CB 1.758 42.593 40.800 0.058 0.000 1.313 253 D HN -0.145 nan 8.370 nan 0.000 0.427 254 V N 2.415 122.379 119.914 0.082 0.000 2.447 254 V HA 0.438 4.558 4.120 -0.000 0.000 0.292 254 V C -0.096 176.051 176.094 0.088 0.000 1.021 254 V CA -0.556 61.796 62.300 0.087 0.000 0.850 254 V CB 1.591 33.482 31.823 0.114 0.000 1.005 254 V HN 0.398 nan 8.190 nan 0.000 0.426 255 E N 2.238 122.478 120.200 0.067 0.000 2.281 255 E HA 0.685 5.035 4.350 -0.000 0.000 0.257 255 E C 1.142 177.769 176.600 0.045 0.000 0.971 255 E CA -0.184 56.250 56.400 0.055 0.000 0.839 255 E CB 1.653 31.379 29.700 0.043 0.000 1.238 255 E HN 0.731 nan 8.360 nan 0.000 0.412 256 G N 1.362 110.182 108.800 0.034 0.000 2.808 256 G HA2 -0.488 3.472 3.960 -0.000 0.000 0.470 256 G HA3 -0.488 3.472 3.960 -0.000 0.000 0.470 256 G C 1.190 176.100 174.900 0.017 0.000 1.041 256 G CA 1.253 46.366 45.100 0.021 0.000 0.839 256 G HN 0.735 nan 8.290 nan 0.000 0.825 257 E N 0.949 121.157 120.200 0.013 0.000 2.068 257 E HA -0.276 4.074 4.350 -0.000 0.000 0.207 257 E C 2.960 179.571 176.600 0.018 0.000 1.032 257 E CA 2.605 59.011 56.400 0.010 0.000 0.839 257 E CB -0.694 29.012 29.700 0.009 0.000 0.758 257 E HN 0.708 nan 8.360 nan 0.000 0.457 258 A N 1.198 124.036 122.820 0.030 0.000 1.865 258 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 258 A C 2.296 179.920 177.584 0.066 0.000 1.191 258 A CA 1.835 53.898 52.037 0.045 0.000 0.623 258 A CB -0.936 18.093 19.000 0.049 0.000 0.826 258 A HN 0.381 nan 8.150 nan 0.000 0.444 259 L N -0.210 121.058 121.223 0.075 0.000 1.989 259 L HA -0.114 4.226 4.340 -0.000 0.000 0.211 259 L C 2.735 179.630 176.870 0.042 0.000 1.071 259 L CA 2.462 57.366 54.840 0.105 0.000 0.749 259 L CB -0.947 41.172 42.059 0.100 0.000 0.890 259 L HN 0.385 nan 8.230 nan 0.000 0.431 260 A N -1.464 121.356 122.820 -0.000 0.000 1.903 260 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 260 A C 2.286 179.841 177.584 -0.048 0.000 1.191 260 A CA 2.756 54.763 52.037 -0.050 0.000 0.638 260 A CB -1.420 17.555 19.000 -0.041 0.000 0.823 260 A HN 0.566 nan 8.150 nan 0.000 0.451 261 T N 0.350 114.899 114.554 -0.008 0.000 2.746 261 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 261 T C 1.827 176.543 174.700 0.026 0.000 1.039 261 T CA 1.405 63.506 62.100 0.002 0.000 1.142 261 T CB -0.380 68.497 68.868 0.015 0.000 0.866 261 T HN 0.369 nan 8.240 nan 0.000 0.444 262 L N 0.809 122.078 121.223 0.078 0.000 2.017 262 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 262 L C 2.695 179.657 176.870 0.154 0.000 1.073 262 L CA 1.021 55.964 54.840 0.172 0.000 0.745 262 L CB -0.823 41.420 42.059 0.307 0.000 0.894 262 L HN 0.142 nan 8.230 nan 0.000 0.432 263 V N -0.689 119.206 119.914 -0.032 0.000 2.380 263 V HA -0.272 3.848 4.120 -0.000 0.000 0.251 263 V C 2.334 178.311 176.094 -0.195 0.000 1.063 263 V CA 1.531 63.647 62.300 -0.306 0.000 1.055 263 V CB -0.414 31.137 31.823 -0.453 0.000 0.657 263 V HN 0.202 nan 8.190 nan 0.000 0.455 264 V N 0.170 120.008 119.914 -0.126 0.000 2.256 264 V HA -0.213 3.907 4.120 -0.000 0.000 0.240 264 V C 2.122 178.197 176.094 -0.030 0.000 1.036 264 V CA 2.316 64.556 62.300 -0.098 0.000 1.008 264 V CB -0.861 30.913 31.823 -0.083 0.000 0.648 264 V HN 0.581 nan 8.190 nan 0.000 0.453 265 N N 0.537 119.239 118.700 0.004 0.000 2.037 265 N HA -0.252 4.488 4.740 -0.000 0.000 0.196 265 N C 1.806 177.345 175.510 0.049 0.000 1.034 265 N CA 2.110 55.176 53.050 0.028 0.000 0.861 265 N CB -0.311 38.200 38.487 0.041 0.000 1.039 265 N HN 0.681 nan 8.380 nan 0.000 0.427 266 T N -1.289 113.318 114.554 0.088 0.000 3.051 266 T HA -0.057 4.293 4.350 -0.000 0.000 0.269 266 T C 1.418 176.171 174.700 0.088 0.000 1.127 266 T CA 0.628 62.799 62.100 0.117 0.000 1.107 266 T CB -0.059 68.946 68.868 0.229 0.000 0.898 266 T HN 0.165 nan 8.240 nan 0.000 0.517 267 M N 0.439 120.066 119.600 0.046 0.000 2.493 267 M HA 0.368 4.848 4.480 -0.000 0.000 0.244 267 M C 0.878 177.189 176.300 0.018 0.000 1.182 267 M CA -0.043 55.273 55.300 0.026 0.000 0.981 267 M CB 0.059 32.643 32.600 -0.026 0.000 1.551 267 M HN 0.069 nan 8.290 nan 0.000 0.476 268 R N -1.325 119.188 120.500 0.023 0.000 2.563 268 R HA 0.251 4.591 4.340 -0.000 0.000 0.443 268 R C 0.852 177.165 176.300 0.021 0.000 0.956 268 R CA 0.373 56.483 56.100 0.016 0.000 1.141 268 R CB 0.730 31.034 30.300 0.008 0.000 1.553 268 R HN 0.454 nan 8.270 nan 0.000 0.577 269 G N 1.678 110.497 108.800 0.030 0.000 2.186 269 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.266 269 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.266 269 G C 0.404 175.322 174.900 0.030 0.000 0.982 269 G CA 0.443 45.561 45.100 0.030 0.000 0.670 269 G HN 0.371 nan 8.290 nan 0.000 0.533 270 I N 0.968 121.557 120.570 0.031 0.000 2.293 270 I HA 0.395 4.565 4.170 -0.000 0.000 0.280 270 I C 0.495 176.636 176.117 0.040 0.000 1.075 270 I CA -0.510 60.808 61.300 0.030 0.000 1.702 270 I CB -0.129 37.886 38.000 0.024 0.000 1.477 270 I HN 0.076 nan 8.210 nan 0.000 0.733 271 V N 2.346 122.286 119.914 0.043 0.000 3.301 271 V HA -0.182 3.938 4.120 -0.000 0.000 0.474 271 V C -0.092 176.040 176.094 0.063 0.000 0.682 271 V CA -0.163 62.168 62.300 0.052 0.000 2.015 271 V CB -0.825 31.029 31.823 0.051 0.000 2.470 271 V HN 0.611 nan 8.190 nan 0.000 0.499 272 K N 4.108 124.544 120.400 0.060 0.000 2.349 272 K HA 0.699 5.019 4.320 -0.000 0.000 0.289 272 K C -0.319 176.312 176.600 0.052 0.000 1.064 272 K CA -0.049 56.277 56.287 0.064 0.000 0.947 272 K CB 1.324 33.853 32.500 0.048 0.000 1.007 272 K HN 0.565 nan 8.250 nan 0.000 0.478 273 V N 1.081 121.030 119.914 0.059 0.000 3.078 273 V HA 0.882 5.002 4.120 -0.000 0.000 0.311 273 V C -1.008 174.938 176.094 -0.247 0.000 1.138 273 V CA -1.124 61.161 62.300 -0.025 0.000 1.007 273 V CB 2.201 34.040 31.823 0.028 0.000 1.045 273 V HN 0.748 nan 8.190 nan 0.000 0.432 274 A N 1.861 124.396 122.820 -0.475 0.000 2.517 274 A HA 0.985 5.304 4.320 -0.000 0.000 0.297 274 A C -0.832 176.364 177.584 -0.647 0.000 1.050 274 A CA -0.057 51.358 52.037 -1.037 0.000 0.694 274 A CB 1.836 20.526 19.000 -0.517 0.000 1.277 274 A HN 1.745 nan 8.150 nan 0.000 0.400 275 A N 0.888 123.291 122.820 -0.694 0.000 2.386 275 A HA 0.908 5.228 4.320 -0.000 0.000 0.311 275 A C -0.410 177.175 177.584 0.001 0.000 1.068 275 A CA -0.101 51.835 52.037 -0.168 0.000 0.743 275 A CB 1.434 20.425 19.000 -0.015 0.000 1.258 275 A HN 2.356 nan 8.150 nan 0.000 0.429 276 V N -0.832 119.121 119.914 0.066 0.000 3.012 276 V HA 0.604 4.724 4.120 -0.000 0.000 0.307 276 V C -0.558 175.622 176.094 0.143 0.000 1.166 276 V CA -1.241 61.136 62.300 0.128 0.000 0.974 276 V CB 1.486 33.397 31.823 0.147 0.000 1.040 276 V HN 0.882 nan 8.190 nan 0.000 0.428 277 K N 2.037 122.523 120.400 0.144 0.000 2.319 277 K HA 0.609 4.929 4.320 -0.000 0.000 0.265 277 K C 0.555 177.223 176.600 0.113 0.000 1.000 277 K CA 0.397 56.753 56.287 0.115 0.000 0.943 277 K CB 1.086 33.650 32.500 0.105 0.000 0.950 277 K HN 1.146 nan 8.250 nan 0.000 0.485 278 A N 3.929 126.768 122.820 0.031 0.000 2.425 278 A HA 0.214 4.534 4.320 -0.000 0.000 0.242 278 A C -2.071 175.469 177.584 -0.073 0.000 1.077 278 A CA -1.079 50.908 52.037 -0.084 0.000 0.781 278 A CB -0.315 18.636 19.000 -0.082 0.000 1.020 278 A HN 0.474 nan 8.150 nan 0.000 0.494 279 P HA 0.401 nan 4.420 nan 0.000 0.275 279 P C 0.659 177.949 177.300 -0.017 0.000 1.227 279 P CA 1.420 64.469 63.100 -0.084 0.000 0.781 279 P CB 0.783 32.339 31.700 -0.240 0.000 0.906 280 G N 2.494 111.343 108.800 0.081 0.000 2.645 280 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.239 280 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.239 280 G C -0.756 174.278 174.900 0.223 0.000 1.331 280 G CA 0.118 45.301 45.100 0.139 0.000 0.890 280 G HN 0.750 nan 8.290 nan 0.000 0.572 281 F N -2.685 117.273 119.950 0.013 0.000 2.789 281 F HA 0.811 5.338 4.527 0.000 0.000 0.319 281 F C 1.047 176.856 175.800 0.015 0.000 1.168 281 F CA 0.368 58.377 58.000 0.014 0.000 0.934 281 F CB 0.760 39.773 39.000 0.022 0.000 1.375 281 F HN 2.516 nan 8.300 nan 0.000 0.480 282 G N 1.185 109.951 108.800 -0.057 0.000 2.574 282 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.282 282 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.282 282 G C 0.239 175.040 174.900 -0.166 0.000 1.257 282 G CA 0.650 45.641 45.100 -0.181 0.000 0.956 282 G HN 0.915 nan 8.290 nan 0.000 0.560 283 D N 0.538 120.833 120.400 -0.176 0.000 2.097 283 D HA -0.090 4.550 4.640 -0.000 0.000 0.197 283 D C 2.443 178.664 176.300 -0.132 0.000 0.984 283 D CA 1.567 55.496 54.000 -0.117 0.000 0.826 283 D CB -0.266 40.480 40.800 -0.090 0.000 0.973 283 D HN 0.659 nan 8.370 nan 0.000 0.460 284 R N 1.443 121.831 120.500 -0.187 0.000 2.241 284 R HA -0.071 4.269 4.340 -0.000 0.000 0.224 284 R C 2.082 178.298 176.300 -0.140 0.000 1.101 284 R CA 0.939 56.944 56.100 -0.160 0.000 0.995 284 R CB -0.235 29.955 30.300 -0.183 0.000 0.870 284 R HN 0.054 nan 8.270 nan 0.000 0.463 285 R N 1.120 121.534 120.500 -0.145 0.000 2.115 285 R HA -0.039 4.301 4.340 -0.000 0.000 0.226 285 R C 1.177 177.425 176.300 -0.088 0.000 1.100 285 R CA 1.333 57.374 56.100 -0.097 0.000 0.980 285 R CB 0.045 30.315 30.300 -0.050 0.000 0.875 285 R HN 0.297 nan 8.270 nan 0.000 0.445 286 K N -0.121 120.232 120.400 -0.079 0.000 2.228 286 K HA 0.050 4.370 4.320 -0.000 0.000 0.202 286 K C 1.966 178.526 176.600 -0.067 0.000 1.051 286 K CA 0.907 57.156 56.287 -0.063 0.000 0.960 286 K CB 0.142 32.613 32.500 -0.049 0.000 0.743 286 K HN 0.171 nan 8.250 nan 0.000 0.458 287 A N 1.264 124.039 122.820 -0.075 0.000 1.930 287 A HA -0.052 4.268 4.320 -0.000 0.000 0.215 287 A C 2.087 179.624 177.584 -0.078 0.000 1.176 287 A CA 1.011 53.006 52.037 -0.070 0.000 0.632 287 A CB -0.288 18.669 19.000 -0.071 0.000 0.819 287 A HN 0.124 nan 8.150 nan 0.000 0.445 288 M N -0.733 118.808 119.600 -0.097 0.000 2.200 288 M HA -0.005 4.475 4.480 -0.000 0.000 0.265 288 M C 2.102 178.319 176.300 -0.138 0.000 1.066 288 M CA 1.037 56.266 55.300 -0.118 0.000 1.127 288 M CB -0.378 32.136 32.600 -0.144 0.000 1.379 288 M HN 0.375 nan 8.290 nan 0.000 0.420 289 L N 0.129 121.273 121.223 -0.132 0.000 2.081 289 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 289 L C 2.668 179.487 176.870 -0.085 0.000 1.080 289 L CA 1.438 56.204 54.840 -0.124 0.000 0.754 289 L CB -0.391 41.614 42.059 -0.091 0.000 0.893 289 L HN 0.341 nan 8.230 nan 0.000 0.433 290 Q N 0.136 119.896 119.800 -0.067 0.000 2.079 290 Q HA -0.208 4.132 4.340 -0.000 0.000 0.200 290 Q C 1.681 177.655 176.000 -0.043 0.000 0.974 290 Q CA 1.831 57.606 55.803 -0.047 0.000 0.840 290 Q CB -0.156 28.558 28.738 -0.041 0.000 0.898 290 Q HN 0.414 nan 8.270 nan 0.000 0.430 291 D N -0.046 120.322 120.400 -0.053 0.000 2.104 291 D HA -0.175 4.465 4.640 -0.000 0.000 0.194 291 D C 1.915 178.196 176.300 -0.032 0.000 0.994 291 D CA 1.460 55.436 54.000 -0.041 0.000 0.830 291 D CB -0.258 40.514 40.800 -0.046 0.000 0.959 291 D HN 0.373 nan 8.370 nan 0.000 0.452 292 I N 1.241 121.780 120.570 -0.051 0.000 2.142 292 I HA -0.286 3.884 4.170 -0.000 0.000 0.240 292 I C 2.562 178.674 176.117 -0.007 0.000 1.078 292 I CA 1.082 62.365 61.300 -0.028 0.000 1.343 292 I CB -0.378 37.580 38.000 -0.069 0.000 1.046 292 I HN -0.067 nan 8.210 nan 0.000 0.405 293 A N 0.808 123.618 122.820 -0.018 0.000 1.869 293 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 293 A C 2.398 179.983 177.584 0.002 0.000 1.203 293 A CA 2.990 55.025 52.037 -0.004 0.000 0.638 293 A CB -1.402 17.591 19.000 -0.012 0.000 0.831 293 A HN 0.415 nan 8.150 nan 0.000 0.450 294 T N 0.422 114.973 114.554 -0.005 0.000 2.653 294 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 294 T C 1.832 176.535 174.700 0.005 0.000 1.035 294 T CA 1.454 63.553 62.100 -0.001 0.000 1.154 294 T CB -0.452 68.412 68.868 -0.007 0.000 0.862 294 T HN 0.362 nan 8.240 nan 0.000 0.441 295 L N 1.630 122.857 121.223 0.006 0.000 2.079 295 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 295 L C 2.262 179.143 176.870 0.018 0.000 1.081 295 L CA 2.365 57.213 54.840 0.013 0.000 0.752 295 L CB -1.140 40.931 42.059 0.020 0.000 0.896 295 L HN 0.496 nan 8.230 nan 0.000 0.433 296 T N -4.227 110.341 114.554 0.023 0.000 3.069 296 T HA 0.261 4.611 4.350 -0.000 0.000 0.252 296 T C 1.254 175.974 174.700 0.033 0.000 1.053 296 T CA 0.357 62.475 62.100 0.030 0.000 0.964 296 T CB 0.029 68.922 68.868 0.042 0.000 1.005 296 T HN 0.535 nan 8.240 nan 0.000 0.532 297 G N 0.587 109.402 108.800 0.025 0.000 2.249 297 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.273 297 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.273 297 G C 0.372 175.294 174.900 0.035 0.000 1.036 297 G CA -0.081 45.035 45.100 0.027 0.000 0.824 297 G HN 1.036 nan 8.290 nan 0.000 0.504 298 G N -1.819 107.000 108.800 0.032 0.000 2.753 298 G HA2 0.800 4.760 3.960 -0.000 0.000 0.285 298 G HA3 0.800 4.760 3.960 -0.000 0.000 0.285 298 G C -0.489 174.420 174.900 0.016 0.000 1.344 298 G CA 0.177 45.297 45.100 0.033 0.000 1.050 298 G HN 0.685 nan 8.290 nan 0.000 0.532 299 T N 0.030 114.590 114.554 0.010 0.000 2.879 299 T HA 0.435 4.785 4.350 -0.000 0.000 0.290 299 T C -0.197 174.500 174.700 -0.004 0.000 0.993 299 T CA -0.284 61.816 62.100 0.000 0.000 0.975 299 T CB 1.736 70.603 68.868 -0.002 0.000 0.981 299 T HN 0.361 nan 8.240 nan 0.000 0.439 300 V N 4.296 124.204 119.914 -0.009 0.000 2.637 300 V HA 0.267 4.387 4.120 -0.000 0.000 0.296 300 V C 0.446 176.533 176.094 -0.011 0.000 1.046 300 V CA -0.289 62.003 62.300 -0.013 0.000 1.066 300 V CB 0.504 32.315 31.823 -0.021 0.000 0.968 300 V HN 0.789 nan 8.190 nan 0.000 0.483 301 I N 4.982 125.546 120.570 -0.010 0.000 2.317 301 I HA 0.192 4.362 4.170 -0.000 0.000 0.286 301 I C 0.482 176.594 176.117 -0.008 0.000 1.119 301 I CA 0.083 61.378 61.300 -0.009 0.000 1.228 301 I CB 0.517 38.512 38.000 -0.008 0.000 1.476 301 I HN 0.714 nan 8.210 nan 0.000 0.514 302 S N 2.615 118.309 115.700 -0.009 0.000 2.480 302 S HA 0.323 4.793 4.470 -0.000 0.000 0.286 302 S C 0.764 175.361 174.600 -0.005 0.000 1.180 302 S CA -0.773 57.422 58.200 -0.008 0.000 1.075 302 S CB 1.840 65.034 63.200 -0.010 0.000 0.996 302 S HN 0.536 nan 8.310 nan 0.000 0.487 303 E N 2.223 122.422 120.200 -0.002 0.000 2.110 303 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 303 E C 1.585 178.184 176.600 -0.002 0.000 0.988 303 E CA 1.365 57.765 56.400 -0.001 0.000 0.804 303 E CB -0.119 29.582 29.700 0.002 0.000 0.745 303 E HN 0.833 nan 8.360 nan 0.000 0.458 304 E N 0.921 121.120 120.200 -0.002 0.000 2.048 304 E HA -0.227 4.123 4.350 -0.000 0.000 0.202 304 E C 2.008 178.605 176.600 -0.004 0.000 1.021 304 E CA 1.237 57.635 56.400 -0.003 0.000 0.825 304 E CB -0.268 29.430 29.700 -0.005 0.000 0.756 304 E HN 0.312 nan 8.360 nan 0.000 0.454 305 I N 0.025 120.592 120.570 -0.005 0.000 3.083 305 I HA -0.078 4.092 4.170 -0.000 0.000 0.273 305 I C 1.235 177.349 176.117 -0.005 0.000 1.297 305 I CA 0.707 62.003 61.300 -0.006 0.000 1.452 305 I CB -0.406 37.589 38.000 -0.007 0.000 1.078 305 I HN 0.345 nan 8.210 nan 0.000 0.484 306 G N 1.275 110.073 108.800 -0.004 0.000 2.142 306 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.225 306 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.225 306 G C 0.139 175.036 174.900 -0.004 0.000 1.015 306 G CA -0.370 44.728 45.100 -0.003 0.000 0.716 306 G HN 0.251 nan 8.290 nan 0.000 0.508 307 M N 0.224 119.821 119.600 -0.005 0.000 2.274 307 M HA 0.511 4.991 4.480 -0.000 0.000 0.344 307 M C 0.346 176.643 176.300 -0.005 0.000 1.161 307 M CA 0.036 55.332 55.300 -0.006 0.000 1.126 307 M CB 1.071 33.667 32.600 -0.007 0.000 1.522 307 M HN 0.236 nan 8.290 nan 0.000 0.461 308 E N 1.745 121.941 120.200 -0.006 0.000 2.212 308 E HA 0.293 4.643 4.350 -0.000 0.000 0.268 308 E C 0.224 176.820 176.600 -0.007 0.000 0.902 308 E CA -0.513 55.884 56.400 -0.005 0.000 0.779 308 E CB 2.203 31.900 29.700 -0.005 0.000 1.172 308 E HN 0.662 nan 8.360 nan 0.000 0.409 309 L N 1.709 122.929 121.223 -0.005 0.000 2.131 309 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 309 L C 1.640 178.503 176.870 -0.011 0.000 1.092 309 L CA 1.222 56.058 54.840 -0.007 0.000 0.759 309 L CB -0.173 41.884 42.059 -0.002 0.000 0.903 309 L HN 0.580 nan 8.230 nan 0.000 0.435 310 E N 0.304 120.499 120.200 -0.009 0.000 2.110 310 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 310 E C 1.462 178.052 176.600 -0.015 0.000 0.988 310 E CA 0.969 57.362 56.400 -0.011 0.000 0.804 310 E CB 0.003 29.699 29.700 -0.008 0.000 0.745 310 E HN 0.284 nan 8.360 nan 0.000 0.458 311 K N 0.402 120.793 120.400 -0.015 0.000 2.551 311 K HA 0.287 4.607 4.320 -0.000 0.000 0.204 311 K C -0.221 176.366 176.600 -0.022 0.000 1.033 311 K CA 0.017 56.294 56.287 -0.017 0.000 1.187 311 K CB 0.642 33.134 32.500 -0.013 0.000 0.900 311 K HN -0.006 nan 8.250 nan 0.000 0.499 312 A N 1.976 124.781 122.820 -0.026 0.000 2.289 312 A HA 0.276 4.596 4.320 -0.000 0.000 0.298 312 A C 0.463 178.017 177.584 -0.050 0.000 1.208 312 A CA -0.429 51.588 52.037 -0.034 0.000 0.845 312 A CB 0.281 19.262 19.000 -0.032 0.000 1.125 312 A HN 0.257 nan 8.150 nan 0.000 0.517 313 T N 0.356 114.877 114.554 -0.056 0.000 2.944 313 T HA 0.482 4.832 4.350 -0.000 0.000 0.284 313 T C 1.139 175.769 174.700 -0.116 0.000 1.010 313 T CA -0.751 61.304 62.100 -0.076 0.000 1.025 313 T CB 0.733 69.567 68.868 -0.057 0.000 1.079 313 T HN 0.377 nan 8.240 nan 0.000 0.516 314 L N 0.163 121.286 121.223 -0.167 0.000 2.189 314 L HA -0.118 4.222 4.340 -0.000 0.000 0.214 314 L C 2.848 179.605 176.870 -0.190 0.000 1.097 314 L CA 1.720 56.385 54.840 -0.292 0.000 0.764 314 L CB -0.380 41.476 42.059 -0.338 0.000 0.900 314 L HN 0.900 nan 8.230 nan 0.000 0.436 315 E N -0.326 119.820 120.200 -0.090 0.000 2.285 315 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 315 E C 1.384 177.974 176.600 -0.016 0.000 0.997 315 E CA 0.714 57.096 56.400 -0.030 0.000 0.845 315 E CB 0.217 29.907 29.700 -0.017 0.000 0.782 315 E HN 0.465 nan 8.360 nan 0.000 0.491 316 D N 0.210 120.590 120.400 -0.034 0.000 2.224 316 D HA -0.069 4.570 4.640 -0.000 0.000 0.205 316 D C 0.272 176.571 176.300 -0.002 0.000 0.965 316 D CA 0.358 54.347 54.000 -0.018 0.000 0.852 316 D CB 0.103 40.888 40.800 -0.026 0.000 0.947 316 D HN 0.139 nan 8.370 nan 0.000 0.494 317 L N 0.808 122.023 121.223 -0.013 0.000 2.461 317 L HA 0.234 4.573 4.340 -0.000 0.000 0.272 317 L C 1.465 178.410 176.870 0.124 0.000 1.197 317 L CA 0.245 55.111 54.840 0.043 0.000 0.836 317 L CB 0.480 42.533 42.059 -0.011 0.000 1.105 317 L HN -0.152 nan 8.230 nan 0.000 0.477 318 G N 1.182 110.063 108.800 0.133 0.000 2.535 318 G HA2 0.559 4.519 3.960 -0.000 0.000 0.303 318 G HA3 0.559 4.519 3.960 -0.000 0.000 0.303 318 G C -1.066 173.928 174.900 0.157 0.000 1.237 318 G CA -0.231 44.940 45.100 0.118 0.000 0.986 318 G HN 0.562 nan 8.290 nan 0.000 0.494 319 Q N -1.914 117.933 119.800 0.078 0.000 2.426 319 Q HA 0.562 4.902 4.340 -0.000 0.000 0.278 319 Q C -1.397 174.592 176.000 -0.019 0.000 1.007 319 Q CA -0.695 55.111 55.803 0.006 0.000 0.850 319 Q CB 2.161 30.891 28.738 -0.014 0.000 1.427 319 Q HN 1.060 nan 8.270 nan 0.000 0.391 320 A N 2.078 124.866 122.820 -0.053 0.000 2.594 320 A HA 0.418 4.738 4.320 -0.000 0.000 0.295 320 A C -0.579 176.968 177.584 -0.062 0.000 1.071 320 A CA -0.621 51.393 52.037 -0.038 0.000 0.685 320 A CB 1.570 20.563 19.000 -0.013 0.000 1.285 320 A HN 0.811 nan 8.150 nan 0.000 0.405 321 K N -0.421 119.950 120.400 -0.048 0.000 2.209 321 K HA -0.043 4.277 4.320 -0.000 0.000 0.204 321 K C 0.764 177.334 176.600 -0.049 0.000 1.048 321 K CA 1.428 57.683 56.287 -0.053 0.000 0.940 321 K CB 0.099 32.577 32.500 -0.038 0.000 0.729 321 K HN 0.550 nan 8.250 nan 0.000 0.451 322 R N -0.389 120.088 120.500 -0.038 0.000 2.664 322 R HA 0.215 4.555 4.340 -0.000 0.000 0.266 322 R C -2.083 174.202 176.300 -0.026 0.000 1.046 322 R CA -0.635 55.445 56.100 -0.032 0.000 0.885 322 R CB 1.948 32.232 30.300 -0.026 0.000 1.254 322 R HN -0.055 nan 8.270 nan 0.000 0.465 323 V N 0.161 120.060 119.914 -0.026 0.000 2.808 323 V HA 0.791 4.911 4.120 -0.000 0.000 0.308 323 V C -1.414 174.662 176.094 -0.030 0.000 1.099 323 V CA -0.682 61.601 62.300 -0.029 0.000 0.920 323 V CB 2.058 33.868 31.823 -0.022 0.000 1.014 323 V HN 0.430 nan 8.190 nan 0.000 0.425 324 V N 5.842 125.730 119.914 -0.042 0.000 2.540 324 V HA 0.609 4.729 4.120 -0.000 0.000 0.302 324 V C -0.284 175.783 176.094 -0.046 0.000 1.035 324 V CA -0.372 61.911 62.300 -0.029 0.000 0.873 324 V CB 1.728 33.535 31.823 -0.026 0.000 0.992 324 V HN 0.860 nan 8.190 nan 0.000 0.428 325 I N 4.527 125.098 120.570 0.001 0.000 2.418 325 I HA 0.458 4.628 4.170 -0.000 0.000 0.287 325 I C 0.042 176.209 176.117 0.084 0.000 1.008 325 I CA -0.468 60.838 61.300 0.011 0.000 1.104 325 I CB 1.770 39.806 38.000 0.059 0.000 1.264 325 I HN 0.543 nan 8.210 nan 0.000 0.438 326 N N 4.302 122.988 118.700 -0.023 0.000 2.452 326 N HA 0.210 4.950 4.740 -0.000 0.000 0.296 326 N C 0.951 176.253 175.510 -0.347 0.000 1.304 326 N CA -0.352 52.672 53.050 -0.042 0.000 0.956 326 N CB 0.681 39.123 38.487 -0.075 0.000 1.106 326 N HN 0.518 nan 8.380 nan 0.000 0.555 327 K N -0.054 120.124 120.400 -0.371 0.000 2.228 327 K HA -0.070 4.250 4.320 -0.000 0.000 0.202 327 K C -0.506 175.794 176.600 -0.501 0.000 1.051 327 K CA 1.332 57.199 56.287 -0.700 0.000 0.960 327 K CB 0.122 32.495 32.500 -0.211 0.000 0.743 327 K HN 0.567 nan 8.250 nan 0.000 0.458 328 D N -1.311 118.922 120.400 -0.278 0.000 2.740 328 D HA 0.106 4.746 4.640 -0.000 0.000 0.305 328 D C -0.871 175.350 176.300 -0.133 0.000 1.583 328 D CA -0.440 53.456 54.000 -0.172 0.000 0.790 328 D CB 0.942 41.684 40.800 -0.097 0.000 1.187 328 D HN -0.177 nan 8.370 nan 0.000 0.447 329 T N -0.179 114.272 114.554 -0.171 0.000 3.105 329 T HA 0.533 4.883 4.350 -0.000 0.000 0.321 329 T C -1.217 173.320 174.700 -0.271 0.000 1.135 329 T CA -0.391 61.594 62.100 -0.191 0.000 1.053 329 T CB 2.068 70.855 68.868 -0.135 0.000 1.133 329 T HN -0.110 nan 8.240 nan 0.000 0.463 330 T N 2.454 116.710 114.554 -0.496 0.000 2.792 330 T HA 0.637 4.987 4.350 -0.000 0.000 0.280 330 T C -0.453 173.868 174.700 -0.632 0.000 0.990 330 T CA -0.481 61.246 62.100 -0.621 0.000 0.960 330 T CB 1.448 69.727 68.868 -0.982 0.000 0.939 330 T HN 0.597 nan 8.240 nan 0.000 0.439 331 T N 4.011 118.374 114.554 -0.318 0.000 2.840 331 T HA 0.598 4.947 4.350 -0.000 0.000 0.287 331 T C -0.525 174.119 174.700 -0.094 0.000 0.991 331 T CA -0.709 61.277 62.100 -0.191 0.000 0.964 331 T CB 0.116 68.908 68.868 -0.127 0.000 0.954 331 T HN 0.484 nan 8.240 nan 0.000 0.438 332 I N 6.461 127.013 120.570 -0.030 0.000 2.301 332 I HA 0.377 4.547 4.170 -0.000 0.000 0.292 332 I C -0.118 176.002 176.117 0.006 0.000 1.046 332 I CA -0.636 60.672 61.300 0.015 0.000 1.282 332 I CB 0.906 38.954 38.000 0.081 0.000 1.409 332 I HN 0.561 nan 8.210 nan 0.000 0.484 333 I N 6.070 126.635 120.570 -0.007 0.000 2.312 333 I HA 0.222 4.392 4.170 -0.000 0.000 0.290 333 I C -0.333 175.779 176.117 -0.009 0.000 1.008 333 I CA -0.333 60.962 61.300 -0.010 0.000 1.226 333 I CB 0.927 38.917 38.000 -0.017 0.000 1.371 333 I HN 0.578 nan 8.210 nan 0.000 0.468 334 D N 4.899 125.295 120.400 -0.006 0.000 3.437 334 D HA -0.106 4.534 4.640 -0.000 0.000 0.243 334 D C 0.165 176.461 176.300 -0.007 0.000 1.104 334 D CA 0.925 54.921 54.000 -0.007 0.000 1.009 334 D CB -0.226 40.566 40.800 -0.013 0.000 0.937 334 D HN 0.814 nan 8.370 nan 0.000 0.417 335 G N 0.531 109.332 108.800 0.002 0.000 2.539 335 G HA2 0.413 4.373 3.960 -0.000 0.000 0.258 335 G HA3 0.413 4.373 3.960 -0.000 0.000 0.258 335 G C 1.341 176.242 174.900 0.002 0.000 1.202 335 G CA -0.290 44.813 45.100 0.005 0.000 0.851 335 G HN 0.379 nan 8.290 nan 0.000 0.556 336 V N 1.476 121.392 119.914 0.004 0.000 3.129 336 V HA 0.092 4.212 4.120 -0.000 0.000 0.259 336 V C 2.116 178.216 176.094 0.009 0.000 1.116 336 V CA 0.729 63.032 62.300 0.005 0.000 1.127 336 V CB -0.942 30.887 31.823 0.009 0.000 0.742 336 V HN 0.849 nan 8.190 nan 0.000 0.474 337 G N 1.505 110.312 108.800 0.012 0.000 2.187 337 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.239 337 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.239 337 G C 0.008 174.912 174.900 0.007 0.000 1.200 337 G CA -0.119 44.987 45.100 0.011 0.000 0.888 337 G HN 0.314 nan 8.290 nan 0.000 0.482 338 E N 2.086 122.290 120.200 0.006 0.000 2.384 338 E HA 0.004 4.354 4.350 -0.000 0.000 0.266 338 E C 1.476 178.077 176.600 0.002 0.000 1.012 338 E CA -0.068 56.334 56.400 0.004 0.000 0.901 338 E CB 0.963 30.665 29.700 0.004 0.000 0.967 338 E HN 0.712 nan 8.360 nan 0.000 0.435 339 E N 2.160 122.360 120.200 0.001 0.000 2.114 339 E HA -0.302 4.048 4.350 -0.000 0.000 0.199 339 E C 1.726 178.325 176.600 -0.001 0.000 1.008 339 E CA 1.549 57.949 56.400 -0.000 0.000 0.810 339 E CB -0.065 29.635 29.700 -0.001 0.000 0.739 339 E HN 0.601 nan 8.360 nan 0.000 0.456 340 A N 1.832 124.652 122.820 -0.000 0.000 1.869 340 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 340 A C 2.469 180.052 177.584 -0.002 0.000 1.203 340 A CA 2.388 54.424 52.037 -0.001 0.000 0.638 340 A CB -0.992 18.008 19.000 -0.000 0.000 0.831 340 A HN 0.336 nan 8.150 nan 0.000 0.450 341 A N -0.300 122.519 122.820 -0.001 0.000 1.845 341 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 341 A C 2.182 179.765 177.584 -0.003 0.000 1.195 341 A CA 1.661 53.697 52.037 -0.002 0.000 0.616 341 A CB -0.774 18.226 19.000 0.000 0.000 0.832 341 A HN 0.521 nan 8.150 nan 0.000 0.443 342 I N -0.815 119.754 120.570 -0.002 0.000 2.151 342 I HA -0.312 3.858 4.170 -0.000 0.000 0.243 342 I C 2.813 178.927 176.117 -0.004 0.000 1.080 342 I CA 1.983 63.282 61.300 -0.002 0.000 1.339 342 I CB -0.341 37.659 38.000 -0.000 0.000 1.039 342 I HN 0.393 nan 8.210 nan 0.000 0.409 343 Q N 1.181 120.979 119.800 -0.004 0.000 2.167 343 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 343 Q C 2.047 178.043 176.000 -0.006 0.000 0.970 343 Q CA 1.907 57.707 55.803 -0.005 0.000 0.855 343 Q CB -0.665 28.071 28.738 -0.004 0.000 0.911 343 Q HN 0.490 nan 8.270 nan 0.000 0.438 344 G N -0.177 108.620 108.800 -0.006 0.000 2.408 344 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 344 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 344 G C 1.577 176.472 174.900 -0.009 0.000 1.150 344 G CA 0.752 45.848 45.100 -0.007 0.000 0.776 344 G HN 0.306 nan 8.290 nan 0.000 0.542 345 R N 0.475 120.969 120.500 -0.009 0.000 2.073 345 R HA -0.007 4.333 4.340 -0.000 0.000 0.234 345 R C 2.586 178.878 176.300 -0.014 0.000 1.134 345 R CA 1.539 57.631 56.100 -0.012 0.000 0.952 345 R CB -1.049 29.243 30.300 -0.012 0.000 0.850 345 R HN 0.178 nan 8.270 nan 0.000 0.433 346 V N 1.100 121.007 119.914 -0.012 0.000 2.332 346 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 346 V C 2.377 178.463 176.094 -0.013 0.000 1.055 346 V CA 1.979 64.271 62.300 -0.013 0.000 1.038 346 V CB -1.062 30.755 31.823 -0.010 0.000 0.651 346 V HN 0.559 nan 8.190 nan 0.000 0.450 347 A N -0.816 121.998 122.820 -0.011 0.000 1.865 347 A HA -0.315 4.005 4.320 -0.000 0.000 0.217 347 A C 2.153 179.730 177.584 -0.012 0.000 1.191 347 A CA 2.188 54.219 52.037 -0.011 0.000 0.623 347 A CB -0.543 18.452 19.000 -0.009 0.000 0.826 347 A HN 0.629 nan 8.150 nan 0.000 0.444 348 Q N -0.467 119.325 119.800 -0.013 0.000 1.956 348 Q HA -0.210 4.130 4.340 -0.000 0.000 0.208 348 Q C 2.136 178.125 176.000 -0.018 0.000 0.998 348 Q CA 1.959 57.752 55.803 -0.015 0.000 0.855 348 Q CB -0.486 28.242 28.738 -0.017 0.000 0.928 348 Q HN 0.729 nan 8.270 nan 0.000 0.418 349 I N 0.314 120.871 120.570 -0.021 0.000 2.145 349 I HA -0.365 3.805 4.170 -0.000 0.000 0.244 349 I C 2.658 178.761 176.117 -0.024 0.000 1.075 349 I CA 1.531 62.816 61.300 -0.026 0.000 1.332 349 I CB -0.393 37.590 38.000 -0.029 0.000 1.033 349 I HN 0.208 nan 8.210 nan 0.000 0.410 350 R N 0.517 121.005 120.500 -0.020 0.000 2.127 350 R HA -0.233 4.107 4.340 -0.000 0.000 0.238 350 R C 2.378 178.669 176.300 -0.016 0.000 1.134 350 R CA 1.604 57.693 56.100 -0.018 0.000 0.975 350 R CB -0.182 30.110 30.300 -0.014 0.000 0.865 350 R HN 0.454 nan 8.270 nan 0.000 0.447 351 Q N -0.023 119.768 119.800 -0.015 0.000 2.096 351 Q HA -0.156 4.184 4.340 -0.000 0.000 0.197 351 Q C 1.851 177.842 176.000 -0.014 0.000 0.964 351 Q CA 1.199 56.994 55.803 -0.013 0.000 0.838 351 Q CB 0.160 28.892 28.738 -0.011 0.000 0.906 351 Q HN 0.498 nan 8.270 nan 0.000 0.444 352 Q N 0.257 120.047 119.800 -0.017 0.000 2.248 352 Q HA -0.167 4.173 4.340 -0.000 0.000 0.208 352 Q C 2.001 177.990 176.000 -0.020 0.000 0.984 352 Q CA 1.265 57.057 55.803 -0.019 0.000 0.875 352 Q CB -0.135 28.588 28.738 -0.024 0.000 0.910 352 Q HN 0.483 nan 8.270 nan 0.000 0.433 353 I N 0.815 121.372 120.570 -0.022 0.000 2.567 353 I HA -0.226 3.944 4.170 -0.000 0.000 0.257 353 I C 1.881 177.989 176.117 -0.015 0.000 1.184 353 I CA 0.666 61.953 61.300 -0.022 0.000 1.451 353 I CB -0.189 37.797 38.000 -0.023 0.000 1.089 353 I HN 0.193 nan 8.210 nan 0.000 0.441 354 E N 1.114 121.307 120.200 -0.012 0.000 2.033 354 E HA -0.150 4.200 4.350 -0.000 0.000 0.189 354 E C 1.790 178.387 176.600 -0.006 0.000 0.979 354 E CA 1.020 57.415 56.400 -0.008 0.000 0.802 354 E CB -0.362 29.334 29.700 -0.007 0.000 0.763 354 E HN 0.538 nan 8.360 nan 0.000 0.449 355 E N 1.267 121.463 120.200 -0.007 0.000 2.515 355 E HA 0.059 4.409 4.350 -0.000 0.000 0.201 355 E C 0.309 176.907 176.600 -0.004 0.000 1.071 355 E CA 0.153 56.550 56.400 -0.005 0.000 0.880 355 E CB -0.017 29.679 29.700 -0.007 0.000 0.828 355 E HN 0.091 nan 8.360 nan 0.000 0.540 356 A N 1.785 124.601 122.820 -0.006 0.000 2.537 356 A HA 0.024 4.344 4.320 -0.000 0.000 0.260 356 A C 1.044 178.632 177.584 0.005 0.000 1.082 356 A CA 0.337 52.373 52.037 -0.003 0.000 0.765 356 A CB -0.184 18.810 19.000 -0.009 0.000 1.019 356 A HN 0.206 nan 8.150 nan 0.000 0.507 357 T N -0.357 114.204 114.554 0.012 0.000 3.264 357 T HA 0.485 4.835 4.350 -0.000 0.000 0.257 357 T C 0.111 174.827 174.700 0.027 0.000 0.976 357 T CA 0.229 62.338 62.100 0.016 0.000 0.908 357 T CB -0.497 68.380 68.868 0.014 0.000 1.082 357 T HN 1.142 nan 8.240 nan 0.000 0.567 358 S N -0.484 115.237 115.700 0.035 0.000 2.570 358 S HA 0.259 4.729 4.470 -0.000 0.000 0.286 358 S C -0.162 174.475 174.600 0.063 0.000 1.143 358 S CA -0.592 57.643 58.200 0.058 0.000 0.921 358 S CB 1.269 64.522 63.200 0.088 0.000 1.108 358 S HN 0.098 nan 8.310 nan 0.000 0.456 359 D N 2.290 122.731 120.400 0.070 0.000 2.116 359 D HA -0.131 4.509 4.640 -0.000 0.000 0.193 359 D C 1.411 177.759 176.300 0.080 0.000 0.998 359 D CA 1.872 55.910 54.000 0.063 0.000 0.836 359 D CB -0.275 40.564 40.800 0.066 0.000 0.951 359 D HN 0.716 nan 8.370 nan 0.000 0.449 360 Y N 2.088 122.390 120.300 0.003 0.000 2.053 360 Y HA -0.256 4.294 4.550 -0.000 0.000 0.277 360 Y C 1.786 177.684 175.900 -0.002 0.000 1.159 360 Y CA 2.130 60.233 58.100 0.004 0.000 1.125 360 Y CB -0.477 37.988 38.460 0.008 0.000 0.969 360 Y HN -0.130 nan 8.280 nan 0.000 0.492 361 D N -0.469 119.946 120.400 0.025 0.000 2.149 361 D HA -0.192 4.448 4.640 -0.000 0.000 0.198 361 D C 2.277 178.509 176.300 -0.113 0.000 0.990 361 D CA 1.614 55.570 54.000 -0.074 0.000 0.839 361 D CB -0.289 40.529 40.800 0.029 0.000 0.948 361 D HN 0.329 nan 8.370 nan 0.000 0.460 362 R N 0.611 121.072 120.500 -0.065 0.000 2.075 362 R HA -0.106 4.234 4.340 -0.000 0.000 0.232 362 R C 1.856 178.103 176.300 -0.088 0.000 1.126 362 R CA 1.217 57.282 56.100 -0.057 0.000 0.963 362 R CB 0.079 30.364 30.300 -0.024 0.000 0.858 362 R HN 0.248 nan 8.270 nan 0.000 0.435 363 E N 0.163 120.293 120.200 -0.115 0.000 2.051 363 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 363 E C 1.968 178.467 176.600 -0.168 0.000 0.991 363 E CA 0.874 57.200 56.400 -0.123 0.000 0.799 363 E CB 0.041 29.672 29.700 -0.115 0.000 0.748 363 E HN 0.147 nan 8.360 nan 0.000 0.449 364 K N 0.934 121.163 120.400 -0.285 0.000 2.063 364 K HA -0.123 4.197 4.320 -0.000 0.000 0.208 364 K C 2.267 178.774 176.600 -0.154 0.000 1.048 364 K CA 0.904 57.033 56.287 -0.265 0.000 0.928 364 K CB -0.504 31.763 32.500 -0.387 0.000 0.713 364 K HN 0.194 nan 8.250 nan 0.000 0.442 365 L N 0.877 122.021 121.223 -0.132 0.000 2.017 365 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 365 L C 2.666 179.496 176.870 -0.067 0.000 1.073 365 L CA 1.345 56.134 54.840 -0.086 0.000 0.745 365 L CB -0.444 41.573 42.059 -0.069 0.000 0.894 365 L HN 0.242 nan 8.230 nan 0.000 0.432 366 Q N -0.302 119.459 119.800 -0.065 0.000 2.152 366 Q HA -0.260 4.080 4.340 -0.000 0.000 0.206 366 Q C 2.140 178.115 176.000 -0.042 0.000 0.985 366 Q CA 1.677 57.452 55.803 -0.046 0.000 0.863 366 Q CB -0.059 28.654 28.738 -0.042 0.000 0.904 366 Q HN 0.478 nan 8.270 nan 0.000 0.422 367 E N 0.107 120.274 120.200 -0.054 0.000 2.038 367 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 367 E C 2.089 178.671 176.600 -0.030 0.000 1.000 367 E CA 0.948 57.324 56.400 -0.040 0.000 0.803 367 E CB -0.002 29.668 29.700 -0.051 0.000 0.750 367 E HN 0.275 nan 8.360 nan 0.000 0.448 368 R N 0.299 120.774 120.500 -0.041 0.000 2.083 368 R HA -0.155 4.184 4.340 -0.000 0.000 0.237 368 R C 2.680 178.966 176.300 -0.024 0.000 1.137 368 R CA 1.752 57.833 56.100 -0.033 0.000 0.951 368 R CB -0.737 29.535 30.300 -0.046 0.000 0.851 368 R HN 0.225 nan 8.270 nan 0.000 0.434 369 V N -1.312 118.587 119.914 -0.026 0.000 2.343 369 V HA -0.151 3.969 4.120 -0.000 0.000 0.247 369 V C 2.404 178.490 176.094 -0.013 0.000 1.051 369 V CA 1.775 64.064 62.300 -0.019 0.000 1.036 369 V CB -1.201 30.610 31.823 -0.020 0.000 0.654 369 V HN 0.268 nan 8.190 nan 0.000 0.451 370 A N 0.597 123.409 122.820 -0.014 0.000 1.908 370 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 370 A C 2.347 179.930 177.584 -0.002 0.000 1.181 370 A CA 2.434 54.466 52.037 -0.008 0.000 0.627 370 A CB -0.614 18.380 19.000 -0.010 0.000 0.818 370 A HN 0.638 nan 8.150 nan 0.000 0.445 371 K N -1.145 119.256 120.400 0.001 0.000 1.985 371 K HA -0.103 4.217 4.320 -0.000 0.000 0.210 371 K C 1.938 178.545 176.600 0.012 0.000 1.047 371 K CA 1.357 57.652 56.287 0.013 0.000 0.932 371 K CB -0.446 32.069 32.500 0.025 0.000 0.716 371 K HN 0.305 nan 8.250 nan 0.000 0.439 372 L N 1.104 122.330 121.223 0.006 0.000 1.956 372 L HA -0.222 4.118 4.340 -0.000 0.000 0.216 372 L C 2.363 179.234 176.870 0.002 0.000 1.073 372 L CA 2.135 56.977 54.840 0.004 0.000 0.762 372 L CB -1.026 41.031 42.059 -0.004 0.000 0.889 372 L HN 0.227 nan 8.230 nan 0.000 0.433 373 A N -1.136 121.683 122.820 -0.002 0.000 1.972 373 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 373 A C 2.318 179.901 177.584 -0.002 0.000 1.169 373 A CA 1.581 53.616 52.037 -0.003 0.000 0.635 373 A CB -1.349 17.647 19.000 -0.006 0.000 0.810 373 A HN 0.525 nan 8.150 nan 0.000 0.446 374 G N -1.164 107.636 108.800 -0.001 0.000 2.408 374 G HA2 0.327 4.287 3.960 -0.000 0.000 0.217 374 G HA3 0.327 4.287 3.960 -0.000 0.000 0.217 374 G C 1.252 176.151 174.900 -0.001 0.000 1.150 374 G CA 0.887 45.986 45.100 -0.001 0.000 0.776 374 G HN 1.695 nan 8.290 nan 0.000 0.542 375 G N -1.646 107.155 108.800 0.002 0.000 2.598 375 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.244 375 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.244 375 G C -0.597 174.302 174.900 -0.000 0.000 1.302 375 G CA -0.144 44.957 45.100 0.002 0.000 0.903 375 G HN 1.114 nan 8.290 nan 0.000 0.575 376 V N 0.127 120.038 119.914 -0.003 0.000 2.808 376 V HA 0.732 4.852 4.120 -0.000 0.000 0.308 376 V C 0.682 176.770 176.094 -0.010 0.000 1.099 376 V CA -0.103 62.192 62.300 -0.008 0.000 0.920 376 V CB 1.423 33.241 31.823 -0.009 0.000 1.014 376 V HN 2.193 nan 8.190 nan 0.000 0.425 377 A N 3.836 126.648 122.820 -0.013 0.000 2.354 377 A HA 0.767 5.087 4.320 -0.000 0.000 0.269 377 A C -0.513 177.063 177.584 -0.013 0.000 1.109 377 A CA -0.294 51.735 52.037 -0.012 0.000 0.800 377 A CB 0.819 19.811 19.000 -0.013 0.000 1.045 377 A HN 0.855 nan 8.150 nan 0.000 0.489 378 V N 4.217 124.124 119.914 -0.011 0.000 2.443 378 V HA 0.299 4.419 4.120 -0.000 0.000 0.293 378 V C -0.382 175.706 176.094 -0.010 0.000 1.021 378 V CA -0.114 62.179 62.300 -0.011 0.000 0.848 378 V CB 1.256 33.073 31.823 -0.011 0.000 0.998 378 V HN 0.745 nan 8.190 nan 0.000 0.424 379 I N 4.907 125.472 120.570 -0.009 0.000 2.315 379 I HA 0.416 4.586 4.170 -0.000 0.000 0.291 379 I C 0.158 176.271 176.117 -0.006 0.000 1.006 379 I CA -0.438 60.858 61.300 -0.007 0.000 1.265 379 I CB 1.208 39.204 38.000 -0.006 0.000 1.387 379 I HN 0.467 nan 8.210 nan 0.000 0.475 380 K N 6.027 126.423 120.400 -0.006 0.000 2.293 380 K HA 0.446 4.766 4.320 -0.000 0.000 0.267 380 K C -0.927 175.670 176.600 -0.004 0.000 1.010 380 K CA -0.659 55.624 56.287 -0.005 0.000 0.875 380 K CB 2.150 34.646 32.500 -0.006 0.000 1.106 380 K HN 0.326 nan 8.250 nan 0.000 0.450 381 V N 2.948 122.860 119.914 -0.003 0.000 2.389 381 V HA 0.206 4.326 4.120 -0.000 0.000 0.264 381 V C 0.861 176.953 176.094 -0.003 0.000 1.049 381 V CA -0.628 61.671 62.300 -0.002 0.000 0.932 381 V CB 0.779 32.602 31.823 -0.001 0.000 1.011 381 V HN 0.886 nan 8.190 nan 0.000 0.475 382 G N 2.894 111.692 108.800 -0.003 0.000 2.477 382 G HA2 0.626 4.586 3.960 -0.000 0.000 0.304 382 G HA3 0.626 4.586 3.960 -0.000 0.000 0.304 382 G C 0.378 175.276 174.900 -0.002 0.000 1.175 382 G CA 0.190 45.289 45.100 -0.003 0.000 0.907 382 G HN 1.077 nan 8.290 nan 0.000 0.509 383 A N -1.173 121.646 122.820 -0.002 0.000 2.260 383 A HA 0.682 5.002 4.320 -0.000 0.000 0.153 383 A C 0.881 178.464 177.584 -0.002 0.000 1.906 383 A CA 1.199 53.235 52.037 -0.002 0.000 1.444 383 A CB -0.553 18.446 19.000 -0.002 0.000 1.615 383 A HN 2.689 nan 8.150 nan 0.000 0.356 384 A N 0.054 122.872 122.820 -0.002 0.000 2.102 384 A HA 0.515 4.835 4.320 -0.000 0.000 0.249 384 A C 0.863 178.445 177.584 -0.002 0.000 1.348 384 A CA 1.184 53.220 52.037 -0.002 0.000 0.694 384 A CB -2.470 16.528 19.000 -0.002 0.000 1.175 384 A HN 3.215 nan 8.150 nan 0.000 0.287 385 T N -1.497 113.055 114.554 -0.002 0.000 0.613 385 T HA -0.016 4.334 4.350 -0.000 0.000 0.768 385 T C 0.224 174.923 174.700 -0.002 0.000 0.991 385 T CA 1.184 63.283 62.100 -0.002 0.000 4.045 385 T CB -1.194 67.673 68.868 -0.002 0.000 2.287 385 T HN 1.887 nan 8.240 nan 0.000 0.397 386 E N 1.432 121.630 120.200 -0.002 0.000 2.097 386 E HA -0.163 4.187 4.350 -0.000 0.000 0.196 386 E C 2.052 178.651 176.600 -0.002 0.000 1.000 386 E CA 2.299 58.697 56.400 -0.002 0.000 0.804 386 E CB -0.126 29.573 29.700 -0.002 0.000 0.740 386 E HN 0.666 nan 8.360 nan 0.000 0.454 387 V N 1.314 121.227 119.914 -0.002 0.000 2.233 387 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 387 V C 2.151 178.244 176.094 -0.002 0.000 1.050 387 V CA 2.410 64.710 62.300 -0.002 0.000 1.010 387 V CB -0.714 31.108 31.823 -0.002 0.000 0.637 387 V HN 0.325 nan 8.190 nan 0.000 0.444 388 E N -0.371 119.828 120.200 -0.002 0.000 2.118 388 E HA -0.267 4.083 4.350 -0.000 0.000 0.195 388 E C 2.187 178.786 176.600 -0.001 0.000 0.992 388 E CA 1.531 57.930 56.400 -0.002 0.000 0.804 388 E CB -0.283 29.416 29.700 -0.002 0.000 0.741 388 E HN 0.451 nan 8.360 nan 0.000 0.458 389 M N 1.233 120.832 119.600 -0.002 0.000 2.067 389 M HA -0.170 4.310 4.480 -0.000 0.000 0.260 389 M C 1.759 178.059 176.300 -0.001 0.000 1.069 389 M CA 1.635 56.934 55.300 -0.001 0.000 1.117 389 M CB -0.212 32.387 32.600 -0.002 0.000 1.334 389 M HN -0.120 nan 8.290 nan 0.000 0.407 390 K N 0.285 120.684 120.400 -0.001 0.000 2.103 390 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 390 K C 1.957 178.557 176.600 0.000 0.000 1.048 390 K CA 1.130 57.417 56.287 -0.000 0.000 0.930 390 K CB -0.638 31.862 32.500 -0.000 0.000 0.716 390 K HN 0.476 nan 8.250 nan 0.000 0.444 391 E N 1.593 121.792 120.200 -0.000 0.000 2.015 391 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 391 E C 1.996 178.597 176.600 0.000 0.000 0.991 391 E CA 1.277 57.677 56.400 -0.000 0.000 0.802 391 E CB 0.011 29.710 29.700 -0.001 0.000 0.759 391 E HN 0.181 nan 8.360 nan 0.000 0.447 392 K N 0.927 121.327 120.400 0.000 0.000 2.103 392 K HA -0.186 4.134 4.320 -0.000 0.000 0.207 392 K C 2.339 178.940 176.600 0.002 0.000 1.048 392 K CA 1.569 57.856 56.287 0.001 0.000 0.930 392 K CB -0.141 32.359 32.500 -0.000 0.000 0.716 392 K HN -0.050 nan 8.250 nan 0.000 0.444 393 K N 0.159 120.561 120.400 0.002 0.000 2.103 393 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 393 K C 1.901 178.505 176.600 0.006 0.000 1.048 393 K CA 1.317 57.606 56.287 0.003 0.000 0.930 393 K CB -0.157 32.345 32.500 0.002 0.000 0.716 393 K HN 0.225 nan 8.250 nan 0.000 0.444 394 A N 1.495 124.318 122.820 0.006 0.000 1.873 394 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 394 A C 2.092 179.682 177.584 0.009 0.000 1.186 394 A CA 1.268 53.310 52.037 0.007 0.000 0.616 394 A CB -0.466 18.536 19.000 0.004 0.000 0.823 394 A HN 0.322 nan 8.150 nan 0.000 0.442 395 R N -0.605 119.898 120.500 0.006 0.000 2.127 395 R HA -0.099 4.241 4.340 -0.000 0.000 0.238 395 R C 1.972 178.278 176.300 0.011 0.000 1.134 395 R CA 1.431 57.535 56.100 0.006 0.000 0.975 395 R CB -0.489 29.813 30.300 0.003 0.000 0.865 395 R HN 0.421 nan 8.270 nan 0.000 0.447 396 V N 0.847 120.767 119.914 0.010 0.000 2.379 396 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 396 V C 1.952 178.058 176.094 0.020 0.000 1.044 396 V CA 1.681 63.988 62.300 0.012 0.000 1.036 396 V CB -0.356 31.471 31.823 0.007 0.000 0.664 396 V HN 0.322 nan 8.190 nan 0.000 0.453 397 E N -0.215 119.999 120.200 0.023 0.000 2.085 397 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 397 E C 2.030 178.669 176.600 0.065 0.000 0.994 397 E CA 1.490 57.913 56.400 0.039 0.000 0.801 397 E CB -0.133 29.590 29.700 0.037 0.000 0.743 397 E HN 0.570 nan 8.360 nan 0.000 0.453 398 D N -0.009 120.419 120.400 0.047 0.000 2.084 398 D HA -0.115 4.525 4.640 -0.000 0.000 0.196 398 D C 1.961 178.298 176.300 0.061 0.000 0.985 398 D CA 1.286 55.316 54.000 0.049 0.000 0.826 398 D CB -0.130 40.681 40.800 0.018 0.000 0.978 398 D HN 0.132 nan 8.370 nan 0.000 0.456 399 A N 0.868 123.711 122.820 0.039 0.000 1.978 399 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 399 A C 2.159 179.769 177.584 0.043 0.000 1.170 399 A CA 1.005 53.062 52.037 0.033 0.000 0.636 399 A CB -0.622 18.390 19.000 0.019 0.000 0.810 399 A HN 0.253 nan 8.150 nan 0.000 0.448 400 L N -1.034 120.216 121.223 0.045 0.000 1.994 400 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 400 L C 2.381 179.279 176.870 0.046 0.000 1.071 400 L CA 2.460 57.317 54.840 0.030 0.000 0.745 400 L CB -0.849 41.217 42.059 0.013 0.000 0.892 400 L HN 0.564 nan 8.230 nan 0.000 0.431 401 H N -0.410 118.659 119.070 -0.002 0.000 2.387 401 H HA -0.074 4.482 4.556 0.000 0.000 0.299 401 H C 2.001 177.330 175.328 0.001 0.000 1.090 401 H CA 1.500 57.547 56.048 -0.001 0.000 1.332 401 H CB 0.066 29.827 29.762 -0.001 0.000 1.386 401 H HN 0.482 nan 8.280 nan 0.000 0.516 402 A N -0.306 122.612 122.820 0.163 0.000 1.855 402 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 402 A C 2.679 180.302 177.584 0.066 0.000 1.191 402 A CA 2.103 54.197 52.037 0.094 0.000 0.613 402 A CB -0.975 18.057 19.000 0.052 0.000 0.829 402 A HN 0.463 nan 8.150 nan 0.000 0.442 403 T N -0.540 114.042 114.554 0.047 0.000 2.788 403 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 403 T C 2.137 176.848 174.700 0.019 0.000 1.044 403 T CA 1.206 63.322 62.100 0.026 0.000 1.139 403 T CB -0.246 68.631 68.868 0.016 0.000 0.867 403 T HN 0.269 nan 8.240 nan 0.000 0.454 404 R N 1.273 121.782 120.500 0.014 0.000 2.083 404 R HA 0.018 4.358 4.340 -0.000 0.000 0.237 404 R C 2.623 178.931 176.300 0.014 0.000 1.137 404 R CA 1.789 57.883 56.100 -0.010 0.000 0.951 404 R CB -1.038 29.222 30.300 -0.066 0.000 0.851 404 R HN 0.448 nan 8.270 nan 0.000 0.434 405 A N 0.252 123.100 122.820 0.047 0.000 1.930 405 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 405 A C 2.341 179.947 177.584 0.037 0.000 1.175 405 A CA 1.690 53.761 52.037 0.055 0.000 0.627 405 A CB -0.551 18.501 19.000 0.087 0.000 0.815 405 A HN 0.399 nan 8.150 nan 0.000 0.443 406 A N -0.520 122.319 122.820 0.032 0.000 1.877 406 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 406 A C 2.191 179.786 177.584 0.017 0.000 1.186 406 A CA 1.784 53.835 52.037 0.023 0.000 0.620 406 A CB -0.971 18.041 19.000 0.020 0.000 0.822 406 A HN 0.392 nan 8.150 nan 0.000 0.443 407 V N 0.076 119.998 119.914 0.014 0.000 2.490 407 V HA -0.253 3.867 4.120 -0.000 0.000 0.250 407 V C 2.399 178.498 176.094 0.010 0.000 1.061 407 V CA 2.273 64.579 62.300 0.009 0.000 1.064 407 V CB -0.711 31.114 31.823 0.004 0.000 0.670 407 V HN 0.635 nan 8.190 nan 0.000 0.461 408 E N -0.260 119.947 120.200 0.013 0.000 2.046 408 E HA -0.126 4.224 4.350 -0.000 0.000 0.190 408 E C 1.536 178.145 176.600 0.014 0.000 0.982 408 E CA 1.210 57.618 56.400 0.013 0.000 0.800 408 E CB 0.057 29.767 29.700 0.017 0.000 0.756 408 E HN 0.652 nan 8.360 nan 0.000 0.449 409 E N -0.600 119.611 120.200 0.017 0.000 2.714 409 E HA 0.235 4.585 4.350 -0.000 0.000 0.219 409 E C 0.152 176.761 176.600 0.015 0.000 0.979 409 E CA 0.071 56.480 56.400 0.016 0.000 1.092 409 E CB 1.622 31.332 29.700 0.017 0.000 1.049 409 E HN 0.241 nan 8.360 nan 0.000 0.487 410 G N 1.257 110.066 108.800 0.015 0.000 2.681 410 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 410 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 410 G C -0.247 174.663 174.900 0.016 0.000 1.353 410 G CA -0.431 44.678 45.100 0.015 0.000 0.872 410 G HN 0.503 nan 8.290 nan 0.000 0.557 411 V N -2.632 117.291 119.914 0.015 0.000 2.914 411 V HA 0.978 5.098 4.120 -0.000 0.000 0.314 411 V C 0.574 176.677 176.094 0.015 0.000 1.084 411 V CA 0.072 62.381 62.300 0.015 0.000 0.963 411 V CB 1.325 33.156 31.823 0.013 0.000 1.025 411 V HN 2.420 nan 8.190 nan 0.000 0.432 412 V N -0.494 119.429 119.914 0.015 0.000 3.160 412 V HA 1.013 5.133 4.120 -0.000 0.000 0.310 412 V C 0.495 176.597 176.094 0.013 0.000 1.181 412 V CA -0.714 61.596 62.300 0.016 0.000 1.047 412 V CB 1.224 33.058 31.823 0.017 0.000 1.068 412 V HN 2.030 nan 8.190 nan 0.000 0.441 413 A N 0.736 123.566 122.820 0.016 0.000 2.540 413 A HA 0.630 4.950 4.320 -0.000 0.000 0.239 413 A C 0.861 178.447 177.584 0.003 0.000 1.061 413 A CA 0.733 52.775 52.037 0.008 0.000 0.758 413 A CB -0.458 18.549 19.000 0.013 0.000 0.991 413 A HN 1.950 nan 8.150 nan 0.000 0.502 414 G N 0.366 109.162 108.800 -0.007 0.000 2.630 414 G HA2 0.523 4.483 3.960 -0.000 0.000 0.223 414 G HA3 0.523 4.483 3.960 -0.000 0.000 0.223 414 G C 1.110 176.002 174.900 -0.013 0.000 1.434 414 G CA -0.066 45.028 45.100 -0.009 0.000 1.057 414 G HN 2.229 nan 8.290 nan 0.000 0.570 415 G N -1.762 107.029 108.800 -0.015 0.000 2.258 415 G HA2 0.202 4.162 3.960 -0.000 0.000 0.274 415 G HA3 0.202 4.162 3.960 -0.000 0.000 0.274 415 G C 1.525 176.428 174.900 0.005 0.000 1.021 415 G CA 1.354 46.447 45.100 -0.011 0.000 0.798 415 G HN 2.446 nan 8.290 nan 0.000 0.507 416 G N -2.560 106.243 108.800 0.006 0.000 2.184 416 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.264 416 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.264 416 G C 1.874 176.782 174.900 0.014 0.000 0.975 416 G CA 1.898 47.004 45.100 0.011 0.000 0.642 416 G HN 2.204 nan 8.290 nan 0.000 0.536 417 V N -1.221 118.700 119.914 0.012 0.000 2.591 417 V HA 0.400 4.520 4.120 -0.000 0.000 0.249 417 V C 2.781 178.891 176.094 0.025 0.000 1.053 417 V CA 2.056 64.367 62.300 0.018 0.000 1.068 417 V CB -0.584 31.243 31.823 0.006 0.000 0.689 417 V HN 1.423 nan 8.190 nan 0.000 0.462 418 A N 0.733 123.566 122.820 0.021 0.000 1.883 418 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 418 A C 2.249 179.847 177.584 0.024 0.000 1.186 418 A CA 2.339 54.391 52.037 0.024 0.000 0.624 418 A CB -0.785 18.226 19.000 0.019 0.000 0.822 418 A HN 0.606 nan 8.150 nan 0.000 0.444 419 L N -1.068 120.167 121.223 0.020 0.000 2.083 419 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 419 L C 2.521 179.404 176.870 0.021 0.000 1.083 419 L CA 1.370 56.221 54.840 0.019 0.000 0.752 419 L CB -0.307 41.762 42.059 0.016 0.000 0.899 419 L HN 0.478 nan 8.230 nan 0.000 0.433 420 I N -0.564 120.021 120.570 0.024 0.000 2.439 420 I HA -0.265 3.905 4.170 -0.000 0.000 0.251 420 I C 2.765 178.904 176.117 0.036 0.000 1.139 420 I CA 0.691 62.008 61.300 0.028 0.000 1.438 420 I CB 0.044 38.061 38.000 0.029 0.000 1.085 420 I HN 0.193 nan 8.210 nan 0.000 0.427 421 R N 0.534 121.059 120.500 0.042 0.000 2.070 421 R HA -0.141 4.199 4.340 -0.000 0.000 0.233 421 R C 2.032 178.355 176.300 0.038 0.000 1.137 421 R CA 2.190 58.320 56.100 0.050 0.000 0.945 421 R CB -1.164 29.169 30.300 0.055 0.000 0.845 421 R HN 0.213 nan 8.270 nan 0.000 0.430 422 V N 0.936 120.868 119.914 0.030 0.000 2.392 422 V HA -0.219 3.901 4.120 -0.000 0.000 0.249 422 V C 2.297 178.403 176.094 0.020 0.000 1.059 422 V CA 1.991 64.305 62.300 0.023 0.000 1.051 422 V CB -0.784 31.050 31.823 0.018 0.000 0.658 422 V HN 0.594 nan 8.190 nan 0.000 0.455 423 A N 0.249 123.081 122.820 0.020 0.000 1.898 423 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 423 A C 2.528 180.124 177.584 0.019 0.000 1.181 423 A CA 2.020 54.067 52.037 0.017 0.000 0.620 423 A CB -0.762 18.248 19.000 0.017 0.000 0.819 423 A HN 0.702 nan 8.150 nan 0.000 0.442 424 S N -0.107 115.607 115.700 0.024 0.000 2.442 424 S HA -0.150 4.320 4.470 -0.000 0.000 0.236 424 S C 1.637 176.250 174.600 0.021 0.000 1.007 424 S CA 1.563 59.778 58.200 0.025 0.000 0.965 424 S CB -0.348 62.872 63.200 0.034 0.000 0.773 424 S HN 0.598 nan 8.310 nan 0.000 0.504 425 K N 0.430 120.843 120.400 0.021 0.000 2.418 425 K HA 0.284 4.604 4.320 -0.000 0.000 0.195 425 K C 0.747 177.355 176.600 0.013 0.000 1.035 425 K CA 0.383 56.680 56.287 0.017 0.000 1.003 425 K CB -0.100 32.411 32.500 0.018 0.000 0.793 425 K HN 0.423 nan 8.250 nan 0.000 0.494 426 L N 0.061 121.291 121.223 0.012 0.000 2.872 426 L HA 0.234 4.574 4.340 -0.000 0.000 0.245 426 L C 1.632 178.507 176.870 0.008 0.000 1.211 426 L CA -0.317 54.528 54.840 0.009 0.000 1.013 426 L CB 0.255 42.319 42.059 0.008 0.000 1.326 426 L HN 0.047 nan 8.230 nan 0.000 0.525 427 A N 0.187 123.012 122.820 0.009 0.000 1.940 427 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 427 A C 1.715 179.302 177.584 0.006 0.000 1.176 427 A CA 1.780 53.822 52.037 0.007 0.000 0.631 427 A CB -0.181 18.823 19.000 0.008 0.000 0.814 427 A HN 0.396 nan 8.150 nan 0.000 0.446 428 D N -0.879 119.524 120.400 0.005 0.000 2.340 428 D HA 0.090 4.730 4.640 -0.000 0.000 0.220 428 D C 0.360 176.662 176.300 0.004 0.000 1.039 428 D CA -0.136 53.867 54.000 0.004 0.000 0.866 428 D CB -0.182 40.620 40.800 0.004 0.000 0.913 428 D HN 0.350 nan 8.370 nan 0.000 0.523 429 L N 2.210 123.435 121.223 0.004 0.000 2.513 429 L HA 0.029 4.369 4.340 -0.000 0.000 0.272 429 L C 0.187 177.058 176.870 0.003 0.000 1.187 429 L CA 0.562 55.404 54.840 0.003 0.000 0.895 429 L CB 0.080 42.141 42.059 0.004 0.000 1.147 429 L HN -0.209 nan 8.230 nan 0.000 0.483 430 R N 3.347 123.848 120.500 0.002 0.000 2.888 430 R HA 0.737 5.077 4.340 -0.000 0.000 0.264 430 R C -0.141 176.160 176.300 0.002 0.000 1.045 430 R CA -0.349 55.752 56.100 0.002 0.000 0.962 430 R CB 1.456 31.757 30.300 0.002 0.000 1.210 430 R HN 0.795 nan 8.270 nan 0.000 0.479 431 G N -0.439 108.362 108.800 0.002 0.000 3.122 431 G HA2 0.196 4.156 3.960 -0.000 0.000 0.180 431 G HA3 0.196 4.156 3.960 -0.000 0.000 0.180 431 G C -0.057 174.844 174.900 0.001 0.000 1.279 431 G CA -0.261 44.840 45.100 0.001 0.000 0.987 431 G HN 0.408 nan 8.290 nan 0.000 0.589 432 Q N -0.353 119.448 119.800 0.001 0.000 2.425 432 Q HA 0.156 4.496 4.340 -0.000 0.000 0.204 432 Q C -0.215 175.786 176.000 0.002 0.000 0.933 432 Q CA 0.495 56.298 55.803 0.001 0.000 0.939 432 Q CB 0.127 28.866 28.738 0.001 0.000 1.044 432 Q HN 0.598 nan 8.270 nan 0.000 0.513 433 N N -2.586 116.115 118.700 0.002 0.000 3.046 433 N HA 0.005 4.745 4.740 -0.000 0.000 0.243 433 N C -0.207 175.304 175.510 0.002 0.000 1.452 433 N CA -0.533 52.518 53.050 0.002 0.000 0.882 433 N CB 0.423 38.911 38.487 0.002 0.000 1.425 433 N HN -0.305 nan 8.380 nan 0.000 0.517 434 E N -0.234 119.968 120.200 0.002 0.000 2.160 434 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 434 E C 0.431 177.032 176.600 0.002 0.000 0.991 434 E CA 1.584 57.985 56.400 0.002 0.000 0.810 434 E CB -0.289 29.412 29.700 0.002 0.000 0.742 434 E HN 0.593 nan 8.360 nan 0.000 0.466 435 D N 0.003 120.405 120.400 0.003 0.000 2.117 435 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 435 D C 1.874 178.176 176.300 0.003 0.000 0.987 435 D CA 1.038 55.040 54.000 0.003 0.000 0.829 435 D CB -0.187 40.615 40.800 0.003 0.000 0.961 435 D HN 0.391 nan 8.370 nan 0.000 0.460 436 Q N 0.118 119.920 119.800 0.003 0.000 2.167 436 Q HA -0.070 4.270 4.340 -0.000 0.000 0.202 436 Q C 1.709 177.711 176.000 0.003 0.000 0.970 436 Q CA 0.593 56.398 55.803 0.003 0.000 0.855 436 Q CB -0.046 28.693 28.738 0.002 0.000 0.911 436 Q HN 0.250 nan 8.270 nan 0.000 0.438 437 N N 0.324 119.025 118.700 0.003 0.000 2.188 437 N HA -0.104 4.636 4.740 -0.000 0.000 0.184 437 N C 1.851 177.363 175.510 0.003 0.000 1.018 437 N CA 0.848 53.899 53.050 0.003 0.000 0.858 437 N CB -0.179 38.310 38.487 0.002 0.000 0.989 437 N HN 0.041 nan 8.380 nan 0.000 0.426 438 V N 0.753 120.669 119.914 0.003 0.000 2.358 438 V HA -0.108 4.012 4.120 -0.000 0.000 0.246 438 V C 2.414 178.511 176.094 0.004 0.000 1.047 438 V CA 1.929 64.231 62.300 0.003 0.000 1.035 438 V CB -1.155 30.670 31.823 0.003 0.000 0.658 438 V HN 0.321 nan 8.190 nan 0.000 0.452 439 G N -0.046 108.756 108.800 0.004 0.000 2.440 439 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 439 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 439 G C 1.567 176.469 174.900 0.004 0.000 1.154 439 G CA 1.107 46.210 45.100 0.004 0.000 0.767 439 G HN 0.480 nan 8.290 nan 0.000 0.552 440 I N 0.250 120.822 120.570 0.004 0.000 2.179 440 I HA -0.143 4.027 4.170 -0.000 0.000 0.242 440 I C 2.710 178.830 176.117 0.004 0.000 1.088 440 I CA 1.059 62.361 61.300 0.004 0.000 1.357 440 I CB -0.149 37.853 38.000 0.003 0.000 1.051 440 I HN 0.034 nan 8.210 nan 0.000 0.409 441 K N 0.579 120.982 120.400 0.004 0.000 2.097 441 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 441 K C 2.128 178.732 176.600 0.005 0.000 1.049 441 K CA 0.957 57.246 56.287 0.005 0.000 0.933 441 K CB -0.661 31.842 32.500 0.004 0.000 0.717 441 K HN 0.213 nan 8.250 nan 0.000 0.442 442 V N 1.680 121.597 119.914 0.005 0.000 2.287 442 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 442 V C 2.484 178.582 176.094 0.007 0.000 1.053 442 V CA 2.091 64.395 62.300 0.006 0.000 1.027 442 V CB -0.764 31.062 31.823 0.006 0.000 0.646 442 V HN 0.307 nan 8.190 nan 0.000 0.447 443 A N -0.426 122.398 122.820 0.006 0.000 1.873 443 A HA -0.117 4.203 4.320 -0.000 0.000 0.215 443 A C 2.192 179.781 177.584 0.007 0.000 1.186 443 A CA 1.633 53.674 52.037 0.007 0.000 0.616 443 A CB -0.513 18.490 19.000 0.005 0.000 0.823 443 A HN 0.494 nan 8.150 nan 0.000 0.442 444 L N -1.266 119.961 121.223 0.007 0.000 2.083 444 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 444 L C 2.880 179.755 176.870 0.009 0.000 1.083 444 L CA 1.510 56.355 54.840 0.008 0.000 0.752 444 L CB -0.521 41.543 42.059 0.008 0.000 0.899 444 L HN 0.377 nan 8.230 nan 0.000 0.433 445 R N -0.100 120.404 120.500 0.008 0.000 2.066 445 R HA -0.116 4.224 4.340 -0.000 0.000 0.232 445 R C 2.451 178.756 176.300 0.008 0.000 1.131 445 R CA 1.331 57.435 56.100 0.007 0.000 0.955 445 R CB -0.384 29.919 30.300 0.006 0.000 0.851 445 R HN 0.341 nan 8.270 nan 0.000 0.432 446 A N 0.763 123.588 122.820 0.008 0.000 1.978 446 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 446 A C 2.030 179.620 177.584 0.010 0.000 1.170 446 A CA 1.375 53.417 52.037 0.009 0.000 0.636 446 A CB -0.447 18.559 19.000 0.010 0.000 0.810 446 A HN 0.260 nan 8.150 nan 0.000 0.448 447 M N -0.723 118.883 119.600 0.010 0.000 2.629 447 M HA -0.126 4.354 4.480 -0.000 0.000 0.257 447 M C 1.378 177.685 176.300 0.012 0.000 1.071 447 M CA 1.067 56.374 55.300 0.012 0.000 1.077 447 M CB -0.222 32.386 32.600 0.012 0.000 1.423 447 M HN 0.484 nan 8.290 nan 0.000 0.508 448 E N -0.127 120.079 120.200 0.010 0.000 2.400 448 E HA 0.064 4.414 4.350 -0.000 0.000 0.195 448 E C 2.053 178.657 176.600 0.006 0.000 1.012 448 E CA 0.346 56.751 56.400 0.009 0.000 0.875 448 E CB 0.132 29.836 29.700 0.007 0.000 0.859 448 E HN 0.471 nan 8.360 nan 0.000 0.498 449 A N 2.522 125.345 122.820 0.006 0.000 1.869 449 A HA -0.185 4.134 4.320 -0.000 0.000 0.218 449 A C -0.355 177.232 177.584 0.005 0.000 1.203 449 A CA 1.616 53.656 52.037 0.005 0.000 0.638 449 A CB -1.621 17.383 19.000 0.007 0.000 0.831 449 A HN 0.126 nan 8.150 nan 0.000 0.450 450 P HA -0.201 nan 4.420 nan 0.000 0.213 450 P C 1.876 179.180 177.300 0.008 0.000 1.176 450 P CA 1.284 64.388 63.100 0.008 0.000 0.919 450 P CB -0.176 31.530 31.700 0.010 0.000 0.791 451 L N -0.856 120.372 121.223 0.008 0.000 1.971 451 L HA -0.267 4.073 4.340 -0.000 0.000 0.215 451 L C 2.564 179.434 176.870 -0.000 0.000 1.072 451 L CA 1.899 56.744 54.840 0.009 0.000 0.758 451 L CB -0.410 41.654 42.059 0.008 0.000 0.889 451 L HN -0.177 nan 8.230 nan 0.000 0.433 452 R N -0.811 119.684 120.500 -0.007 0.000 2.113 452 R HA -0.287 4.053 4.340 -0.000 0.000 0.244 452 R C 2.328 178.622 176.300 -0.010 0.000 1.142 452 R CA 2.092 58.183 56.100 -0.016 0.000 0.953 452 R CB -0.468 29.825 30.300 -0.012 0.000 0.860 452 R HN 0.416 nan 8.270 nan 0.000 0.438 453 Q N 0.930 120.729 119.800 -0.002 0.000 2.050 453 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 453 Q C 1.874 177.877 176.000 0.005 0.000 0.980 453 Q CA 1.671 57.475 55.803 0.001 0.000 0.840 453 Q CB -0.212 28.528 28.738 0.002 0.000 0.898 453 Q HN 0.374 nan 8.270 nan 0.000 0.424 454 I N -0.693 119.884 120.570 0.011 0.000 2.163 454 I HA -0.299 3.871 4.170 -0.000 0.000 0.243 454 I C 2.079 178.217 176.117 0.035 0.000 1.085 454 I CA 1.184 62.497 61.300 0.022 0.000 1.347 454 I CB -0.419 37.599 38.000 0.030 0.000 1.044 454 I HN 0.076 nan 8.210 nan 0.000 0.408 455 V N 0.605 120.536 119.914 0.027 0.000 2.407 455 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 455 V C 2.363 178.459 176.094 0.004 0.000 1.055 455 V CA 1.581 63.888 62.300 0.013 0.000 1.049 455 V CB -0.527 31.245 31.823 -0.085 0.000 0.662 455 V HN 0.352 nan 8.190 nan 0.000 0.455 456 L N 0.817 122.038 121.223 -0.003 0.000 2.017 456 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 456 L C 2.211 179.085 176.870 0.006 0.000 1.073 456 L CA 1.920 56.759 54.840 -0.002 0.000 0.745 456 L CB -0.868 41.189 42.059 -0.004 0.000 0.894 456 L HN 0.307 nan 8.230 nan 0.000 0.432 457 N N -1.072 117.634 118.700 0.009 0.000 2.289 457 N HA -0.171 4.569 4.740 -0.000 0.000 0.184 457 N C 1.682 177.201 175.510 0.015 0.000 1.016 457 N CA 1.573 54.629 53.050 0.010 0.000 0.872 457 N CB -0.716 37.776 38.487 0.008 0.000 0.973 457 N HN 0.427 nan 8.380 nan 0.000 0.433 458 C N -0.558 118.758 119.300 0.027 0.000 2.562 458 C HA 0.275 4.735 4.460 -0.000 0.000 0.266 458 C C 1.624 176.634 174.990 0.033 0.000 1.382 458 C CA 0.255 59.295 59.018 0.038 0.000 1.742 458 C CB -1.104 26.683 27.740 0.077 0.000 1.812 458 C HN 0.616 nan 8.230 nan 0.000 0.559 459 G N 1.200 110.013 108.800 0.021 0.000 2.137 459 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.237 459 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.237 459 G C -0.277 174.632 174.900 0.016 0.000 1.002 459 G CA 0.150 45.260 45.100 0.016 0.000 0.702 459 G HN 0.510 nan 8.290 nan 0.000 0.515 460 E N -0.000 120.206 120.200 0.010 0.000 2.259 460 E HA 0.445 4.795 4.350 -0.000 0.000 0.257 460 E C 0.096 176.677 176.600 -0.032 0.000 0.998 460 E CA -0.844 55.551 56.400 -0.007 0.000 0.866 460 E CB 0.757 30.444 29.700 -0.022 0.000 1.220 460 E HN 0.460 nan 8.360 nan 0.000 0.415 461 E N 1.815 121.990 120.200 -0.042 0.000 2.070 461 E HA 0.095 4.445 4.350 -0.000 0.000 0.282 461 E C -1.699 174.861 176.600 -0.066 0.000 1.104 461 E CA -1.530 54.846 56.400 -0.041 0.000 0.876 461 E CB 0.742 30.426 29.700 -0.027 0.000 1.055 461 E HN 0.128 nan 8.360 nan 0.000 0.401 462 P HA -0.286 nan 4.420 nan 0.000 0.215 462 P C 1.397 178.664 177.300 -0.056 0.000 1.163 462 P CA 1.526 64.588 63.100 -0.063 0.000 0.894 462 P CB 0.174 31.852 31.700 -0.036 0.000 0.791 463 S N -1.318 114.361 115.700 -0.035 0.000 2.400 463 S HA -0.131 4.339 4.470 -0.000 0.000 0.232 463 S C 1.983 176.568 174.600 -0.024 0.000 1.025 463 S CA 1.516 59.702 58.200 -0.024 0.000 0.993 463 S CB -1.735 61.456 63.200 -0.015 0.000 0.808 463 S HN -0.038 nan 8.310 nan 0.000 0.478 464 V N 1.459 121.353 119.914 -0.033 0.000 2.283 464 V HA -0.087 4.033 4.120 -0.000 0.000 0.243 464 V C 2.641 178.721 176.094 -0.024 0.000 1.039 464 V CA 1.429 63.714 62.300 -0.025 0.000 1.016 464 V CB -0.796 31.013 31.823 -0.023 0.000 0.650 464 V HN 0.425 nan 8.190 nan 0.000 0.449 465 V N 0.412 120.276 119.914 -0.083 0.000 2.287 465 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 465 V C 2.766 178.847 176.094 -0.021 0.000 1.053 465 V CA 2.143 64.371 62.300 -0.119 0.000 1.027 465 V CB -1.168 30.360 31.823 -0.493 0.000 0.646 465 V HN 0.556 nan 8.190 nan 0.000 0.447 466 A N 0.413 123.208 122.820 -0.042 0.000 1.873 466 A HA -0.365 3.955 4.320 -0.000 0.000 0.218 466 A C 2.063 179.664 177.584 0.028 0.000 1.193 466 A CA 2.687 54.722 52.037 -0.003 0.000 0.629 466 A CB -1.017 17.976 19.000 -0.011 0.000 0.826 466 A HN 0.638 nan 8.150 nan 0.000 0.447 467 N N -0.883 117.828 118.700 0.018 0.000 2.104 467 N HA -0.130 4.610 4.740 -0.000 0.000 0.190 467 N C 1.705 177.240 175.510 0.043 0.000 1.024 467 N CA 2.410 55.474 53.050 0.023 0.000 0.853 467 N CB -0.454 38.036 38.487 0.007 0.000 1.008 467 N HN 0.432 nan 8.380 nan 0.000 0.424 468 T N -0.398 114.188 114.554 0.053 0.000 2.701 468 T HA -0.071 4.279 4.350 -0.000 0.000 0.263 468 T C 1.960 176.768 174.700 0.180 0.000 1.040 468 T CA 1.371 63.505 62.100 0.056 0.000 1.147 468 T CB -0.490 68.342 68.868 -0.061 0.000 0.865 468 T HN 0.030 nan 8.240 nan 0.000 0.426 469 V N 1.741 121.790 119.914 0.224 0.000 2.324 469 V HA -0.235 3.885 4.120 -0.000 0.000 0.250 469 V C 2.444 178.659 176.094 0.201 0.000 1.060 469 V CA 1.660 64.093 62.300 0.222 0.000 1.042 469 V CB -0.569 31.330 31.823 0.126 0.000 0.650 469 V HN 0.492 nan 8.190 nan 0.000 0.450 470 K N 0.272 120.748 120.400 0.126 0.000 2.097 470 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 470 K C 2.222 178.879 176.600 0.096 0.000 1.049 470 K CA 1.436 57.780 56.287 0.094 0.000 0.933 470 K CB -0.647 31.887 32.500 0.057 0.000 0.717 470 K HN 0.577 nan 8.250 nan 0.000 0.442 471 G N 1.054 109.911 108.800 0.096 0.000 2.470 471 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.220 471 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.220 471 G C 0.798 175.726 174.900 0.046 0.000 1.121 471 G CA 0.764 45.898 45.100 0.057 0.000 0.766 471 G HN 0.379 nan 8.290 nan 0.000 0.553 472 G N -1.094 107.792 108.800 0.143 0.000 2.509 472 G HA2 0.489 4.449 3.960 -0.000 0.000 0.269 472 G HA3 0.489 4.449 3.960 -0.000 0.000 0.269 472 G C -0.859 174.090 174.900 0.081 0.000 1.416 472 G CA -0.382 44.749 45.100 0.052 0.000 1.052 472 G HN 0.145 nan 8.290 nan 0.000 0.542 473 D N -2.288 118.159 120.400 0.078 0.000 2.559 473 D HA 0.491 5.131 4.640 -0.000 0.000 0.250 473 D C 0.925 177.297 176.300 0.120 0.000 1.135 473 D CA 0.564 54.610 54.000 0.076 0.000 0.955 473 D CB 1.910 42.719 40.800 0.015 0.000 1.442 473 D HN 0.789 nan 8.370 nan 0.000 0.471 474 G N 1.221 110.071 108.800 0.083 0.000 2.672 474 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.324 474 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.324 474 G C 0.312 175.274 174.900 0.102 0.000 1.286 474 G CA 0.736 45.884 45.100 0.080 0.000 1.004 474 G HN 0.613 nan 8.290 nan 0.000 0.548 475 N N 0.010 118.771 118.700 0.102 0.000 2.378 475 N HA 0.357 5.097 4.740 -0.000 0.000 0.243 475 N C -0.135 175.452 175.510 0.129 0.000 1.137 475 N CA -0.092 53.013 53.050 0.092 0.000 0.862 475 N CB 0.254 38.776 38.487 0.059 0.000 1.116 475 N HN 0.520 nan 8.380 nan 0.000 0.499 476 Y N 0.923 121.255 120.300 0.053 0.000 2.377 476 Y HA 0.549 5.099 4.550 -0.000 0.000 0.330 476 Y C 0.672 176.635 175.900 0.105 0.000 1.108 476 Y CA -0.069 58.078 58.100 0.078 0.000 1.308 476 Y CB 0.295 38.802 38.460 0.078 0.000 1.216 476 Y HN 0.081 nan 8.280 nan 0.000 0.518 477 G N 3.881 112.378 108.800 -0.505 0.000 2.554 477 G HA2 0.209 4.169 3.960 -0.000 0.000 0.306 477 G HA3 0.209 4.169 3.960 -0.000 0.000 0.306 477 G C -2.479 172.219 174.900 -0.338 0.000 1.320 477 G CA -1.020 43.873 45.100 -0.346 0.000 0.800 477 G HN 0.607 nan 8.290 nan 0.000 0.481 478 Y N 1.512 121.566 120.300 -0.409 0.000 2.326 478 Y HA 0.593 5.143 4.550 -0.000 0.000 0.337 478 Y C 0.099 175.782 175.900 -0.362 0.000 1.023 478 Y CA -1.184 56.547 58.100 -0.615 0.000 1.143 478 Y CB 1.489 39.563 38.460 -0.643 0.000 1.183 478 Y HN 0.410 nan 8.280 nan 0.000 0.485 479 N N 5.154 123.391 118.700 -0.773 0.000 2.602 479 N HA 0.161 4.901 4.740 -0.000 0.000 0.238 479 N C 0.597 175.588 175.510 -0.865 0.000 1.084 479 N CA 0.553 53.256 53.050 -0.578 0.000 0.952 479 N CB 0.915 39.169 38.487 -0.388 0.000 1.244 479 N HN 0.933 nan 8.380 nan 0.000 0.512 480 A N 3.526 125.958 122.820 -0.646 0.000 1.997 480 A HA -0.194 4.126 4.320 -0.000 0.000 0.221 480 A C 2.100 179.513 177.584 -0.285 0.000 1.172 480 A CA 2.068 53.857 52.037 -0.414 0.000 0.645 480 A CB -0.599 18.379 19.000 -0.037 0.000 0.813 480 A HN 0.686 nan 8.150 nan 0.000 0.454 481 A N -0.836 121.840 122.820 -0.240 0.000 1.898 481 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 481 A C 2.292 179.779 177.584 -0.160 0.000 1.181 481 A CA 2.349 54.293 52.037 -0.154 0.000 0.620 481 A CB -0.892 18.036 19.000 -0.120 0.000 0.819 481 A HN 0.905 nan 8.150 nan 0.000 0.442 482 T N -3.991 110.428 114.554 -0.225 0.000 3.054 482 T HA 0.271 4.621 4.350 -0.000 0.000 0.255 482 T C 0.259 174.832 174.700 -0.212 0.000 1.035 482 T CA 0.687 62.681 62.100 -0.178 0.000 0.941 482 T CB -0.240 68.541 68.868 -0.146 0.000 1.026 482 T HN 0.569 nan 8.240 nan 0.000 0.533 483 E N 0.751 120.717 120.200 -0.390 0.000 2.722 483 E HA -0.141 4.209 4.350 -0.000 0.000 0.265 483 E C -0.857 175.591 176.600 -0.252 0.000 1.081 483 E CA 0.628 56.814 56.400 -0.357 0.000 0.781 483 E CB -1.016 28.679 29.700 -0.009 0.000 1.372 483 E HN 0.605 nan 8.360 nan 0.000 0.423 484 E N 0.006 119.988 120.200 -0.363 0.000 2.183 484 E HA 0.356 4.706 4.350 -0.000 0.000 0.271 484 E C -0.407 176.070 176.600 -0.204 0.000 0.919 484 E CA -0.590 55.731 56.400 -0.133 0.000 0.781 484 E CB 0.812 30.474 29.700 -0.064 0.000 1.140 484 E HN 0.048 nan 8.360 nan 0.000 0.402 485 Y N 0.404 120.704 120.300 -0.001 0.000 2.316 485 Y HA 0.595 5.145 4.550 -0.000 0.000 0.324 485 Y C 1.314 177.206 175.900 -0.014 0.000 1.267 485 Y CA 0.499 58.562 58.100 -0.061 0.000 1.311 485 Y CB 1.501 39.967 38.460 0.010 0.000 1.267 485 Y HN 0.677 nan 8.280 nan 0.000 0.516 486 G N 0.591 109.428 108.800 0.061 0.000 2.351 486 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.279 486 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.279 486 G C -1.739 173.243 174.900 0.138 0.000 1.297 486 G CA -1.197 44.021 45.100 0.197 0.000 0.886 486 G HN 0.548 nan 8.290 nan 0.000 0.493 487 N N 1.227 120.007 118.700 0.135 0.000 2.401 487 N HA 0.126 4.866 4.740 -0.000 0.000 0.255 487 N C 1.782 177.311 175.510 0.031 0.000 1.110 487 N CA -0.484 52.627 53.050 0.101 0.000 0.949 487 N CB 0.753 39.294 38.487 0.090 0.000 1.110 487 N HN 0.385 nan 8.380 nan 0.000 0.490 488 M N 3.481 123.085 119.600 0.008 0.000 2.106 488 M HA -0.189 4.291 4.480 -0.000 0.000 0.259 488 M C 1.620 177.915 176.300 -0.010 0.000 1.068 488 M CA 1.208 56.495 55.300 -0.022 0.000 1.100 488 M CB -0.584 32.001 32.600 -0.025 0.000 1.351 488 M HN 0.556 nan 8.290 nan 0.000 0.404 489 I N 0.166 120.741 120.570 0.008 0.000 2.202 489 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 489 I C 1.908 178.029 176.117 0.006 0.000 1.091 489 I CA 1.333 62.638 61.300 0.008 0.000 1.368 489 I CB -1.675 36.335 38.000 0.016 0.000 1.058 489 I HN 0.210 nan 8.210 nan 0.000 0.410 490 D N 1.018 121.426 120.400 0.013 0.000 2.123 490 D HA -0.173 4.467 4.640 -0.000 0.000 0.196 490 D C 2.203 178.503 176.300 0.000 0.000 0.992 490 D CA 1.271 55.278 54.000 0.011 0.000 0.833 490 D CB -0.250 40.563 40.800 0.022 0.000 0.954 490 D HN 0.314 nan 8.370 nan 0.000 0.455 491 M N -0.511 119.084 119.600 -0.009 0.000 2.686 491 M HA 0.083 4.563 4.480 -0.000 0.000 0.246 491 M C 1.020 177.303 176.300 -0.030 0.000 1.096 491 M CA 0.697 55.982 55.300 -0.026 0.000 1.076 491 M CB 0.095 32.667 32.600 -0.047 0.000 1.504 491 M HN 0.100 nan 8.290 nan 0.000 0.524 492 G N 2.035 110.823 108.800 -0.020 0.000 2.176 492 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.252 492 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.252 492 G C -0.006 174.879 174.900 -0.025 0.000 1.024 492 G CA -0.156 44.933 45.100 -0.019 0.000 0.755 492 G HN 0.549 nan 8.290 nan 0.000 0.507 493 I N 0.844 121.396 120.570 -0.031 0.000 2.460 493 I HA 0.472 4.642 4.170 -0.000 0.000 0.277 493 I C 0.244 176.347 176.117 -0.024 0.000 1.057 493 I CA -0.873 60.406 61.300 -0.036 0.000 1.179 493 I CB 0.456 38.421 38.000 -0.059 0.000 1.329 493 I HN 0.204 nan 8.210 nan 0.000 0.478 494 L N 3.078 124.293 121.223 -0.014 0.000 2.277 494 L HA 0.825 5.165 4.340 -0.000 0.000 0.254 494 L C -1.079 175.790 176.870 -0.002 0.000 1.044 494 L CA -0.690 54.147 54.840 -0.005 0.000 0.842 494 L CB 1.337 43.396 42.059 0.000 0.000 1.422 494 L HN 0.030 nan 8.230 nan 0.000 0.422 495 D N -0.830 119.573 120.400 0.004 0.000 2.857 495 D HA 0.432 5.072 4.640 -0.000 0.000 0.227 495 D C -2.828 173.481 176.300 0.014 0.000 1.192 495 D CA -1.052 52.952 54.000 0.008 0.000 0.857 495 D CB 2.703 43.508 40.800 0.008 0.000 1.645 495 D HN 0.358 nan 8.370 nan 0.000 0.482 496 P HA 0.072 nan 4.420 nan 0.000 0.267 496 P C 0.889 178.203 177.300 0.024 0.000 1.205 496 P CA 0.090 63.205 63.100 0.024 0.000 0.765 496 P CB 0.645 32.366 31.700 0.035 0.000 0.828 497 T N 2.460 117.027 114.554 0.021 0.000 2.778 497 T HA -0.229 4.121 4.350 -0.000 0.000 0.269 497 T C 1.612 176.325 174.700 0.022 0.000 1.050 497 T CA 1.359 63.471 62.100 0.019 0.000 1.137 497 T CB -0.291 68.587 68.868 0.016 0.000 0.860 497 T HN 0.502 nan 8.240 nan 0.000 0.468 498 K N 0.844 121.261 120.400 0.028 0.000 2.057 498 K HA -0.108 4.212 4.320 -0.000 0.000 0.207 498 K C 2.443 179.069 176.600 0.043 0.000 1.049 498 K CA 1.517 57.825 56.287 0.035 0.000 0.931 498 K CB -0.312 32.215 32.500 0.045 0.000 0.714 498 K HN 0.357 nan 8.250 nan 0.000 0.440 499 V N -0.497 119.442 119.914 0.042 0.000 2.453 499 V HA -0.141 3.979 4.120 -0.000 0.000 0.247 499 V C 1.747 177.865 176.094 0.040 0.000 1.048 499 V CA 2.257 64.583 62.300 0.044 0.000 1.049 499 V CB -0.589 31.250 31.823 0.028 0.000 0.672 499 V HN 0.287 nan 8.190 nan 0.000 0.457 500 T N 0.558 115.129 114.554 0.029 0.000 2.777 500 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 500 T C 1.966 176.679 174.700 0.022 0.000 1.040 500 T CA 2.040 64.154 62.100 0.024 0.000 1.141 500 T CB -0.375 68.504 68.868 0.018 0.000 0.868 500 T HN 0.624 nan 8.240 nan 0.000 0.444 501 R N 0.921 121.431 120.500 0.016 0.000 2.083 501 R HA -0.097 4.243 4.340 -0.000 0.000 0.237 501 R C 2.523 178.818 176.300 -0.009 0.000 1.137 501 R CA 1.820 57.920 56.100 -0.000 0.000 0.951 501 R CB -0.377 29.919 30.300 -0.005 0.000 0.851 501 R HN 0.222 nan 8.270 nan 0.000 0.434 502 S N 0.467 116.181 115.700 0.023 0.000 2.356 502 S HA -0.121 4.349 4.470 -0.000 0.000 0.223 502 S C 2.020 176.702 174.600 0.137 0.000 1.032 502 S CA 1.154 59.391 58.200 0.061 0.000 1.005 502 S CB -0.283 63.022 63.200 0.177 0.000 0.867 502 S HN 0.587 nan 8.310 nan 0.000 0.449 503 A N 1.380 124.271 122.820 0.118 0.000 1.908 503 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 503 A C 2.140 179.775 177.584 0.085 0.000 1.181 503 A CA 1.585 53.690 52.037 0.114 0.000 0.627 503 A CB -0.760 18.278 19.000 0.064 0.000 0.818 503 A HN 0.419 nan 8.150 nan 0.000 0.445 504 L N -0.169 121.078 121.223 0.040 0.000 2.005 504 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 504 L C 2.519 179.387 176.870 -0.003 0.000 1.072 504 L CA 2.420 57.270 54.840 0.018 0.000 0.744 504 L CB -0.910 41.151 42.059 0.003 0.000 0.895 504 L HN 0.522 nan 8.230 nan 0.000 0.433 505 Q N -1.721 118.044 119.800 -0.059 0.000 2.096 505 Q HA -0.241 4.099 4.340 -0.000 0.000 0.204 505 Q C 2.172 178.088 176.000 -0.141 0.000 0.982 505 Q CA 2.081 57.801 55.803 -0.139 0.000 0.850 505 Q CB -0.377 28.210 28.738 -0.252 0.000 0.901 505 Q HN 0.513 nan 8.270 nan 0.000 0.422 506 Y N 0.285 120.587 120.300 0.004 0.000 2.200 506 Y HA -0.155 4.395 4.550 -0.000 0.000 0.290 506 Y C 2.421 178.322 175.900 0.003 0.000 1.137 506 Y CA 0.884 58.986 58.100 0.003 0.000 1.163 506 Y CB -0.723 37.738 38.460 0.002 0.000 0.988 506 Y HN 0.126 nan 8.280 nan 0.000 0.518 507 A N 0.122 123.037 122.820 0.157 0.000 1.865 507 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 507 A C 2.489 180.109 177.584 0.060 0.000 1.191 507 A CA 2.189 54.279 52.037 0.090 0.000 0.623 507 A CB -1.365 17.672 19.000 0.062 0.000 0.826 507 A HN 0.394 nan 8.150 nan 0.000 0.444 508 A N -0.765 122.078 122.820 0.038 0.000 1.940 508 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 508 A C 2.475 180.073 177.584 0.024 0.000 1.176 508 A CA 2.339 54.388 52.037 0.020 0.000 0.631 508 A CB -1.002 17.999 19.000 0.001 0.000 0.814 508 A HN 0.649 nan 8.150 nan 0.000 0.446 509 S N -0.848 114.872 115.700 0.034 0.000 2.351 509 S HA -0.158 4.312 4.470 -0.000 0.000 0.220 509 S C 1.982 176.613 174.600 0.051 0.000 1.035 509 S CA 1.878 60.103 58.200 0.042 0.000 1.031 509 S CB -0.668 62.573 63.200 0.069 0.000 0.928 509 S HN 0.614 nan 8.310 nan 0.000 0.433 510 V N 1.717 121.672 119.914 0.068 0.000 2.515 510 V HA 0.021 4.141 4.120 -0.000 0.000 0.250 510 V C 2.591 178.707 176.094 0.036 0.000 1.058 510 V CA 1.976 64.307 62.300 0.052 0.000 1.064 510 V CB -1.075 30.780 31.823 0.052 0.000 0.675 510 V HN 0.610 nan 8.190 nan 0.000 0.461 511 A N 0.086 122.927 122.820 0.034 0.000 1.902 511 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 511 A C 2.376 179.973 177.584 0.021 0.000 1.181 511 A CA 1.822 53.875 52.037 0.025 0.000 0.623 511 A CB -1.411 17.602 19.000 0.023 0.000 0.818 511 A HN 0.639 nan 8.150 nan 0.000 0.443 512 G N -0.180 108.632 108.800 0.021 0.000 2.418 512 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 512 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 512 G C 1.557 176.468 174.900 0.018 0.000 1.158 512 G CA 1.050 46.161 45.100 0.017 0.000 0.771 512 G HN 0.430 nan 8.290 nan 0.000 0.545 513 L N -0.329 120.907 121.223 0.022 0.000 2.046 513 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 513 L C 3.122 180.004 176.870 0.021 0.000 1.077 513 L CA 1.032 55.885 54.840 0.022 0.000 0.747 513 L CB -0.316 41.758 42.059 0.026 0.000 0.896 513 L HN 0.243 nan 8.230 nan 0.000 0.432 514 M N -0.614 118.998 119.600 0.021 0.000 2.132 514 M HA -0.202 4.278 4.480 -0.000 0.000 0.263 514 M C 2.322 178.632 176.300 0.018 0.000 1.065 514 M CA 1.775 57.087 55.300 0.020 0.000 1.122 514 M CB -0.334 32.279 32.600 0.020 0.000 1.365 514 M HN 0.182 nan 8.290 nan 0.000 0.411 515 I N 0.160 120.740 120.570 0.017 0.000 2.335 515 I HA -0.243 3.927 4.170 -0.000 0.000 0.251 515 I C 1.753 177.879 176.117 0.015 0.000 1.129 515 I CA 1.544 62.853 61.300 0.015 0.000 1.402 515 I CB -0.555 37.453 38.000 0.013 0.000 1.069 515 I HN 0.403 nan 8.210 nan 0.000 0.424 516 T N -2.927 111.637 114.554 0.017 0.000 3.273 516 T HA 0.164 4.514 4.350 -0.000 0.000 0.254 516 T C 0.420 175.132 174.700 0.021 0.000 1.002 516 T CA -0.326 61.784 62.100 0.018 0.000 0.913 516 T CB -0.440 68.438 68.868 0.017 0.000 1.056 516 T HN -0.053 nan 8.240 nan 0.000 0.576 517 T N 1.936 116.502 114.554 0.020 0.000 2.795 517 T HA 0.371 4.721 4.350 -0.000 0.000 0.282 517 T C 0.510 175.224 174.700 0.024 0.000 0.980 517 T CA -0.591 61.521 62.100 0.020 0.000 1.012 517 T CB 1.754 70.632 68.868 0.017 0.000 0.936 517 T HN 0.099 nan 8.240 nan 0.000 0.457 518 E N 0.447 120.666 120.200 0.032 0.000 2.453 518 E HA 0.187 4.537 4.350 -0.000 0.000 0.211 518 E C 0.029 176.660 176.600 0.053 0.000 0.897 518 E CA 0.126 56.561 56.400 0.060 0.000 1.063 518 E CB 0.820 30.572 29.700 0.088 0.000 1.080 518 E HN 0.557 nan 8.360 nan 0.000 0.512 519 C N 0.606 119.898 119.300 -0.015 0.000 2.888 519 C HA 0.709 5.169 4.460 -0.000 0.000 0.308 519 C C -1.342 173.574 174.990 -0.123 0.000 1.213 519 C CA -0.558 58.363 59.018 -0.162 0.000 1.461 519 C CB 0.590 28.234 27.740 -0.161 0.000 1.934 519 C HN 0.138 nan 8.230 nan 0.000 0.474 520 M N 4.899 124.404 119.600 -0.159 0.000 2.326 520 M HA 0.551 5.031 4.480 -0.000 0.000 0.292 520 M C -1.229 175.118 176.300 0.078 0.000 1.081 520 M CA -0.528 54.790 55.300 0.030 0.000 0.919 520 M CB 2.095 34.820 32.600 0.209 0.000 1.634 520 M HN 0.358 nan 8.290 nan 0.000 0.451 521 V N 1.355 121.291 119.914 0.036 0.000 2.487 521 V HA 0.806 4.926 4.120 -0.000 0.000 0.298 521 V C -0.272 175.783 176.094 -0.066 0.000 1.028 521 V CA -0.390 61.912 62.300 0.004 0.000 0.860 521 V CB 1.937 33.745 31.823 -0.026 0.000 0.991 521 V HN 0.961 nan 8.190 nan 0.000 0.427 522 T N 1.798 116.273 114.554 -0.132 0.000 2.762 522 T HA 0.347 4.697 4.350 -0.000 0.000 0.301 522 T C -1.433 173.163 174.700 -0.173 0.000 1.299 522 T CA -0.586 61.373 62.100 -0.234 0.000 1.005 522 T CB 1.984 70.543 68.868 -0.515 0.000 1.377 522 T HN 0.646 nan 8.240 nan 0.000 0.504 523 D N 1.471 121.776 120.400 -0.158 0.000 2.357 523 D HA 0.265 4.905 4.640 -0.000 0.000 0.242 523 D C -0.069 176.172 176.300 -0.099 0.000 1.153 523 D CA -0.196 53.744 54.000 -0.101 0.000 0.918 523 D CB 0.714 41.465 40.800 -0.082 0.000 1.181 523 D HN 0.232 nan 8.370 nan 0.000 0.435 524 L N 3.365 124.558 121.223 -0.050 0.000 2.416 524 L HA 0.188 4.528 4.340 -0.000 0.000 0.272 524 L C -1.319 175.532 176.870 -0.032 0.000 1.161 524 L CA -1.048 53.777 54.840 -0.025 0.000 0.845 524 L CB -0.275 41.781 42.059 -0.004 0.000 1.119 524 L HN 0.284 nan 8.230 nan 0.000 0.464 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.086 63.100 -0.023 0.000 0.800 525 P CB 0.000 31.696 31.700 -0.007 0.000 0.726