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 2xhu_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINPLSNSL LRHHNMVYAT TSRSASLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSIEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSRAVNHIR SVWEDLLEDT ETPIDTTIMA KSEVFCVQPE DATA SEQUENCE KGGRKPARLI VFPDLGVRVC EKMALYDVVS TLPQAVMGSS YGFQYSPKQR DATA SEQUENCE VEFLVNTWKS KKCPMGFSYD TRCFDSTVTE SDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIRSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAT DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAAALRAFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPINSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFTLHSYSPG EINRVASCLR KLGVPPLRTW DATA SEQUENCE RHRARSVRAK LLSQGGRAAT CGRYLFNWAV RTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHS 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.567 174.600 -0.055 0.000 1.055 1 S CA 0.000 58.176 58.200 -0.040 0.000 1.107 1 S CB 0.000 63.167 63.200 -0.055 0.000 0.593 2 M N 3.262 122.822 119.600 -0.067 0.000 2.200 2 M HA 0.287 4.776 4.480 0.015 0.000 0.355 2 M C 1.875 178.064 176.300 -0.186 0.000 1.283 2 M CA -0.172 55.074 55.300 -0.090 0.000 1.124 2 M CB 0.725 33.292 32.600 -0.055 0.000 1.625 2 M HN 1.065 nan 8.290 nan 0.000 0.463 3 S N 2.981 118.507 115.700 -0.291 0.000 2.382 3 S HA -0.090 4.389 4.470 0.015 0.000 0.228 3 S C 0.159 174.379 174.600 -0.633 0.000 1.027 3 S CA 0.970 58.888 58.200 -0.470 0.000 0.991 3 S CB -0.182 62.661 63.200 -0.595 0.000 0.823 3 S HN 0.649 nan 8.310 nan 0.000 0.469 4 Y N -0.280 119.859 120.300 -0.269 0.000 2.562 4 Y HA 0.582 5.138 4.550 0.009 0.000 0.345 4 Y C -0.111 175.481 175.900 -0.513 0.000 1.045 4 Y CA -0.996 56.826 58.100 -0.464 0.000 1.028 4 Y CB 2.102 40.148 38.460 -0.690 0.000 1.297 4 Y HN -0.149 nan 8.280 nan 0.000 0.463 5 T N 1.568 115.855 114.554 -0.445 0.000 2.863 5 T HA 0.447 4.805 4.350 0.015 0.000 0.285 5 T C -1.494 172.877 174.700 -0.548 0.000 1.009 5 T CA -0.746 61.143 62.100 -0.353 0.000 0.989 5 T CB 0.654 69.445 68.868 -0.128 0.000 1.004 5 T HN 0.463 nan 8.240 nan 0.000 0.455 6 W N 1.153 122.508 121.300 0.091 0.000 2.702 6 W HA 0.380 5.043 4.660 0.005 0.000 0.331 6 W C 1.466 178.014 176.519 0.049 0.000 1.049 6 W CA -0.925 56.458 57.345 0.063 0.000 1.230 6 W CB 1.246 30.728 29.460 0.036 0.000 1.408 6 W HN 0.790 nan 8.180 nan 0.000 0.492 7 T N -1.879 112.845 114.554 0.282 0.000 2.978 7 T HA 0.282 4.641 4.350 0.015 0.000 0.262 7 T C 1.474 176.263 174.700 0.149 0.000 1.063 7 T CA 1.125 63.326 62.100 0.168 0.000 1.140 7 T CB -0.028 68.915 68.868 0.126 0.000 0.886 7 T HN 1.154 nan 8.240 nan 0.000 0.470 8 G N 1.116 110.018 108.800 0.170 0.000 2.284 8 G HA2 0.095 4.064 3.960 0.015 0.000 0.201 8 G HA3 0.095 4.064 3.960 0.015 0.000 0.201 8 G C 0.353 175.288 174.900 0.058 0.000 0.998 8 G CA -0.119 45.036 45.100 0.092 0.000 0.651 8 G HN 1.049 nan 8.290 nan 0.000 0.489 9 A N 0.793 123.659 122.820 0.077 0.000 2.483 9 A HA 0.644 4.973 4.320 0.015 0.000 0.238 9 A C 0.713 178.317 177.584 0.033 0.000 1.070 9 A CA 0.268 52.336 52.037 0.052 0.000 0.770 9 A CB 0.196 19.233 19.000 0.062 0.000 1.008 9 A HN 0.856 nan 8.150 nan 0.000 0.497 10 L N 1.724 122.951 121.223 0.007 0.000 2.375 10 L HA 0.303 4.652 4.340 0.015 0.000 0.271 10 L C 0.043 176.905 176.870 -0.014 0.000 1.107 10 L CA -0.381 54.445 54.840 -0.024 0.000 0.806 10 L CB 0.859 42.904 42.059 -0.024 0.000 1.146 10 L HN 0.554 nan 8.230 nan 0.000 0.447 11 I N 1.982 122.525 120.570 -0.044 0.000 2.505 11 I HA 0.062 4.241 4.170 0.015 0.000 0.287 11 I C 0.463 176.576 176.117 -0.008 0.000 1.104 11 I CA 0.105 61.393 61.300 -0.021 0.000 1.387 11 I CB 0.465 38.435 38.000 -0.049 0.000 1.404 11 I HN 0.657 nan 8.210 nan 0.000 0.528 12 T N 4.964 119.524 114.554 0.010 0.000 2.918 12 T HA 0.609 4.968 4.350 0.015 0.000 0.286 12 T C -2.549 172.167 174.700 0.028 0.000 1.026 12 T CA -2.100 60.009 62.100 0.015 0.000 1.031 12 T CB 1.930 70.806 68.868 0.014 0.000 1.046 12 T HN 0.278 nan 8.240 nan 0.000 0.479 13 P HA 0.305 nan 4.420 nan 0.000 0.282 13 P C 0.584 177.908 177.300 0.041 0.000 1.259 13 P CA -0.806 62.319 63.100 0.042 0.000 0.826 13 P CB 0.870 32.595 31.700 0.042 0.000 1.064 14 C N -0.436 118.894 119.300 0.049 0.000 2.974 14 C HA 0.820 5.289 4.460 0.015 0.000 0.282 14 C C 0.661 175.674 174.990 0.039 0.000 1.292 14 C CA -0.160 58.883 59.018 0.042 0.000 1.710 14 C CB -1.198 26.572 27.740 0.050 0.000 2.036 14 C HN 0.699 nan 8.230 nan 0.000 0.629 15 A N 0.162 123.008 122.820 0.043 0.000 2.536 15 A HA 0.803 5.132 4.320 0.015 0.000 0.293 15 A C -0.458 177.155 177.584 0.049 0.000 1.119 15 A CA -0.002 52.060 52.037 0.043 0.000 0.654 15 A CB -0.290 18.738 19.000 0.046 0.000 1.291 15 A HN 1.394 nan 8.150 nan 0.000 0.439 16 A N -0.052 122.798 122.820 0.050 0.000 2.498 16 A HA 0.515 4.844 4.320 0.015 0.000 0.239 16 A C -0.032 177.597 177.584 0.075 0.000 1.068 16 A CA 0.434 52.505 52.037 0.057 0.000 0.766 16 A CB -0.254 18.779 19.000 0.054 0.000 1.003 16 A HN 0.593 nan 8.150 nan 0.000 0.497 17 E N 1.557 121.807 120.200 0.083 0.000 2.155 17 E HA 0.262 4.621 4.350 0.015 0.000 0.264 17 E C -0.867 175.816 176.600 0.140 0.000 0.886 17 E CA -0.669 55.793 56.400 0.104 0.000 0.752 17 E CB 1.259 31.011 29.700 0.087 0.000 1.133 17 E HN 0.614 nan 8.360 nan 0.000 0.414 18 E N 1.309 121.629 120.200 0.200 0.000 2.313 18 E HA 0.081 4.440 4.350 0.015 0.000 0.276 18 E C 0.385 177.202 176.600 0.361 0.000 1.031 18 E CA -0.006 56.564 56.400 0.284 0.000 0.857 18 E CB 1.558 31.474 29.700 0.360 0.000 1.040 18 E HN 0.581 nan 8.360 nan 0.000 0.408 19 S N 1.545 117.456 115.700 0.351 0.000 2.604 19 S HA 0.173 4.652 4.470 0.015 0.000 0.235 19 S C 0.464 175.346 174.600 0.470 0.000 1.043 19 S CA -0.317 58.090 58.200 0.346 0.000 0.997 19 S CB 0.682 64.018 63.200 0.226 0.000 0.956 19 S HN 0.096 nan 8.310 nan 0.000 0.535 20 K N 1.547 122.215 120.400 0.447 0.000 2.259 20 K HA 0.499 4.828 4.320 0.015 0.000 0.252 20 K C -1.080 175.651 176.600 0.218 0.000 0.936 20 K CA -0.881 55.621 56.287 0.358 0.000 0.810 20 K CB 2.078 34.706 32.500 0.213 0.000 1.143 20 K HN 0.252 nan 8.250 nan 0.000 0.427 21 L N 4.263 125.628 121.223 0.236 0.000 2.455 21 L HA 0.195 4.543 4.340 0.015 0.000 0.272 21 L C -2.209 174.588 176.870 -0.121 0.000 1.174 21 L CA -0.868 53.945 54.840 -0.045 0.000 0.869 21 L CB 0.037 42.194 42.059 0.164 0.000 1.130 21 L HN 0.396 nan 8.230 nan 0.000 0.474 22 P HA 0.140 nan 4.420 nan 0.000 0.270 22 P C -0.754 176.423 177.300 -0.206 0.000 1.223 22 P CA 0.113 63.086 63.100 -0.211 0.000 0.785 22 P CB 0.377 31.935 31.700 -0.236 0.000 0.923 23 I N 2.735 123.163 120.570 -0.235 0.000 2.291 23 I HA 0.224 4.403 4.170 0.015 0.000 0.292 23 I C 0.511 176.530 176.117 -0.163 0.000 1.064 23 I CA 0.062 61.188 61.300 -0.290 0.000 1.269 23 I CB -0.084 37.712 38.000 -0.340 0.000 1.418 23 I HN 0.289 nan 8.210 nan 0.000 0.485 24 N N 8.496 127.121 118.700 -0.124 0.000 2.336 24 N HA 0.329 5.078 4.740 0.015 0.000 0.290 24 N C -2.360 173.120 175.510 -0.050 0.000 1.058 24 N CA -1.738 51.264 53.050 -0.080 0.000 0.865 24 N CB 2.991 41.429 38.487 -0.081 0.000 1.581 24 N HN 0.019 nan 8.380 nan 0.000 0.480 25 P HA -0.085 nan 4.420 nan 0.000 0.215 25 P C 1.584 178.879 177.300 -0.009 0.000 1.157 25 P CA 1.205 64.291 63.100 -0.024 0.000 0.874 25 P CB 0.461 32.147 31.700 -0.024 0.000 0.790 26 L N -0.593 120.627 121.223 -0.005 0.000 2.046 26 L HA -0.166 4.183 4.340 0.015 0.000 0.208 26 L C 2.550 179.467 176.870 0.077 0.000 1.077 26 L CA 2.163 57.017 54.840 0.023 0.000 0.747 26 L CB -1.248 40.810 42.059 -0.001 0.000 0.896 26 L HN 0.110 nan 8.230 nan 0.000 0.432 27 S N -0.824 114.896 115.700 0.032 0.000 2.414 27 S HA -0.148 4.331 4.470 0.015 0.000 0.227 27 S C 1.699 176.303 174.600 0.007 0.000 1.022 27 S CA 1.112 59.324 58.200 0.019 0.000 0.958 27 S CB -0.620 62.577 63.200 -0.005 0.000 0.797 27 S HN 0.379 nan 8.310 nan 0.000 0.493 28 N N 2.472 121.175 118.700 0.006 0.000 2.289 28 N HA -0.115 4.634 4.740 0.015 0.000 0.184 28 N C 1.714 177.226 175.510 0.004 0.000 1.016 28 N CA 1.470 54.527 53.050 0.011 0.000 0.872 28 N CB -0.386 38.101 38.487 -0.000 0.000 0.973 28 N HN 0.612 nan 8.380 nan 0.000 0.433 29 S N -1.078 114.627 115.700 0.008 0.000 2.522 29 S HA -0.023 4.456 4.470 0.015 0.000 0.227 29 S C 1.641 176.245 174.600 0.007 0.000 0.986 29 S CA 0.265 58.456 58.200 -0.015 0.000 0.929 29 S CB -0.132 63.059 63.200 -0.016 0.000 0.769 29 S HN 0.338 nan 8.310 nan 0.000 0.529 30 L N 0.181 121.421 121.223 0.029 0.000 2.221 30 L HA 0.577 4.926 4.340 0.015 0.000 0.202 30 L C 0.240 177.149 176.870 0.065 0.000 1.074 30 L CA 0.928 55.804 54.840 0.059 0.000 0.795 30 L CB 0.163 41.978 42.059 -0.408 0.000 0.960 30 L HN 0.489 nan 8.230 nan 0.000 0.458 31 L N -0.486 120.741 121.223 0.007 0.000 2.541 31 L HA 0.374 4.723 4.340 0.015 0.000 0.266 31 L C 0.276 177.157 176.870 0.019 0.000 0.966 31 L CA -0.507 54.336 54.840 0.005 0.000 0.871 31 L CB 1.323 43.393 42.059 0.018 0.000 1.232 31 L HN -0.058 nan 8.230 nan 0.000 0.408 32 R N 0.722 121.197 120.500 -0.041 0.000 2.127 32 R HA 0.142 4.491 4.340 0.015 0.000 0.217 32 R C 0.326 176.706 176.300 0.133 0.000 1.074 32 R CA 0.875 56.986 56.100 0.020 0.000 0.991 32 R CB -0.072 30.202 30.300 -0.044 0.000 0.895 32 R HN 0.610 nan 8.270 nan 0.000 0.450 33 H N 1.386 120.486 119.070 0.050 0.000 2.970 33 H HA 0.015 4.580 4.556 0.015 0.000 0.226 33 H C 0.888 176.194 175.328 -0.036 0.000 1.909 33 H CA -0.235 55.796 56.048 -0.027 0.000 1.388 33 H CB -0.038 29.714 29.762 -0.016 0.000 1.773 33 H HN 0.421 nan 8.280 nan 0.000 0.559 34 H N 0.435 119.599 119.070 0.158 0.000 2.456 34 H HA -0.132 4.433 4.556 0.015 0.000 0.296 34 H C 0.694 176.106 175.328 0.141 0.000 1.079 34 H CA 1.127 57.249 56.048 0.123 0.000 1.322 34 H CB -0.080 29.729 29.762 0.077 0.000 1.388 34 H HN 0.516 nan 8.280 nan 0.000 0.538 35 N N 0.364 118.925 118.700 -0.231 0.000 2.512 35 N HA 0.004 4.753 4.740 0.015 0.000 0.183 35 N C 1.576 177.126 175.510 0.067 0.000 1.073 35 N CA 0.563 53.589 53.050 -0.041 0.000 0.911 35 N CB 0.007 38.409 38.487 -0.142 0.000 0.964 35 N HN 0.343 nan 8.380 nan 0.000 0.447 36 M N 0.180 119.834 119.600 0.089 0.000 2.506 36 M HA 0.041 4.530 4.480 0.015 0.000 0.260 36 M C -0.107 176.341 176.300 0.246 0.000 1.104 36 M CA 0.491 55.878 55.300 0.145 0.000 1.112 36 M CB 0.489 33.167 32.600 0.131 0.000 1.401 36 M HN -0.128 nan 8.290 nan 0.000 0.473 37 V N 1.494 121.565 119.914 0.262 0.000 2.407 37 V HA 0.237 4.366 4.120 0.015 0.000 0.278 37 V C -0.675 175.663 176.094 0.408 0.000 1.037 37 V CA -0.653 61.825 62.300 0.297 0.000 0.900 37 V CB 0.112 32.106 31.823 0.285 0.000 0.983 37 V HN 0.296 nan 8.190 nan 0.000 0.459 38 Y N 2.966 123.389 120.300 0.204 0.000 2.609 38 Y HA 0.930 5.489 4.550 0.014 0.000 0.342 38 Y C -0.335 175.566 175.900 0.002 0.000 1.058 38 Y CA -1.401 56.808 58.100 0.182 0.000 1.055 38 Y CB 1.812 40.358 38.460 0.144 0.000 1.292 38 Y HN 0.632 nan 8.280 nan 0.000 0.476 39 A N 1.663 124.461 122.820 -0.036 0.000 2.342 39 A HA 0.623 4.952 4.320 0.015 0.000 0.323 39 A C -0.083 177.544 177.584 0.072 0.000 1.125 39 A CA -0.418 51.424 52.037 -0.324 0.000 0.785 39 A CB 0.417 18.999 19.000 -0.698 0.000 1.221 39 A HN 1.023 nan 8.150 nan 0.000 0.463 40 T N 0.262 114.862 114.554 0.077 0.000 2.926 40 T HA 0.508 4.867 4.350 0.015 0.000 0.307 40 T C 0.472 175.225 174.700 0.090 0.000 1.059 40 T CA 0.490 62.697 62.100 0.179 0.000 1.122 40 T CB 0.617 69.602 68.868 0.196 0.000 0.972 40 T HN 1.532 nan 8.240 nan 0.000 0.545 41 T N -2.018 112.594 114.554 0.097 0.000 2.804 41 T HA 0.490 4.849 4.350 0.015 0.000 0.290 41 T C 1.349 176.081 174.700 0.053 0.000 1.099 41 T CA -0.212 61.930 62.100 0.070 0.000 1.011 41 T CB 1.151 70.066 68.868 0.078 0.000 1.291 41 T HN 0.776 nan 8.240 nan 0.000 0.523 42 S N -0.287 115.438 115.700 0.042 0.000 2.507 42 S HA -0.050 4.429 4.470 0.015 0.000 0.235 42 S C 1.772 176.377 174.600 0.007 0.000 0.988 42 S CA 0.264 58.477 58.200 0.022 0.000 0.944 42 S CB -0.655 62.558 63.200 0.022 0.000 0.762 42 S HN 0.708 nan 8.310 nan 0.000 0.526 43 R N 1.567 122.078 120.500 0.018 0.000 2.193 43 R HA -0.020 4.329 4.340 0.015 0.000 0.229 43 R C 2.027 178.322 176.300 -0.007 0.000 1.110 43 R CA 1.431 57.535 56.100 0.007 0.000 0.988 43 R CB -0.336 29.975 30.300 0.019 0.000 0.871 43 R HN 0.709 nan 8.270 nan 0.000 0.458 44 S N -0.991 114.709 115.700 -0.000 0.000 2.557 44 S HA 0.249 4.728 4.470 0.015 0.000 0.223 44 S C 1.729 176.307 174.600 -0.036 0.000 0.969 44 S CA 0.123 58.315 58.200 -0.013 0.000 0.927 44 S CB 0.926 64.131 63.200 0.009 0.000 0.806 44 S HN 0.258 nan 8.310 nan 0.000 0.489 45 A N 2.922 125.713 122.820 -0.049 0.000 1.917 45 A HA -0.129 4.200 4.320 0.015 0.000 0.219 45 A C 2.488 179.978 177.584 -0.156 0.000 1.182 45 A CA 2.151 54.135 52.037 -0.088 0.000 0.633 45 A CB -1.358 17.586 19.000 -0.094 0.000 0.819 45 A HN 0.895 nan 8.150 nan 0.000 0.448 46 S N -0.883 114.721 115.700 -0.159 0.000 2.423 46 S HA -0.057 4.422 4.470 0.015 0.000 0.231 46 S C 1.667 176.171 174.600 -0.160 0.000 1.014 46 S CA 1.324 59.398 58.200 -0.210 0.000 0.965 46 S CB -0.425 62.673 63.200 -0.169 0.000 0.785 46 S HN 0.210 nan 8.310 nan 0.000 0.495 47 L N 1.702 122.865 121.223 -0.100 0.000 2.056 47 L HA 0.167 4.516 4.340 0.015 0.000 0.207 47 L C 2.839 179.677 176.870 -0.053 0.000 1.078 47 L CA 1.559 56.361 54.840 -0.064 0.000 0.749 47 L CB -1.170 40.864 42.059 -0.043 0.000 0.901 47 L HN 0.314 nan 8.230 nan 0.000 0.433 48 R N -0.310 120.154 120.500 -0.061 0.000 2.066 48 R HA -0.117 4.232 4.340 0.015 0.000 0.232 48 R C 2.240 178.506 176.300 -0.057 0.000 1.131 48 R CA 1.388 57.467 56.100 -0.034 0.000 0.955 48 R CB -0.403 29.883 30.300 -0.023 0.000 0.851 48 R HN 0.414 nan 8.270 nan 0.000 0.432 49 Q N 0.180 119.870 119.800 -0.183 0.000 2.096 49 Q HA -0.255 4.094 4.340 0.015 0.000 0.208 49 Q C 2.011 177.961 176.000 -0.083 0.000 0.993 49 Q CA 2.281 57.905 55.803 -0.299 0.000 0.862 49 Q CB -0.236 28.036 28.738 -0.776 0.000 0.915 49 Q HN 0.305 nan 8.270 nan 0.000 0.416 50 K N 1.028 121.384 120.400 -0.073 0.000 2.057 50 K HA -0.201 4.128 4.320 0.015 0.000 0.207 50 K C 2.059 178.733 176.600 0.123 0.000 1.049 50 K CA 1.330 57.635 56.287 0.030 0.000 0.931 50 K CB -0.040 32.460 32.500 -0.000 0.000 0.714 50 K HN -0.017 nan 8.250 nan 0.000 0.440 51 K N 0.790 121.252 120.400 0.103 0.000 2.147 51 K HA -0.090 4.239 4.320 0.015 0.000 0.205 51 K C 1.673 178.460 176.600 0.311 0.000 1.049 51 K CA 1.460 57.842 56.287 0.159 0.000 0.936 51 K CB 0.124 32.685 32.500 0.102 0.000 0.722 51 K HN 0.219 nan 8.250 nan 0.000 0.446 52 V N -1.562 118.526 119.914 0.290 0.000 3.649 52 V HA 0.149 4.278 4.120 0.015 0.000 0.275 52 V C 0.087 176.375 176.094 0.322 0.000 1.281 52 V CA -0.050 62.474 62.300 0.374 0.000 1.143 52 V CB 0.316 32.299 31.823 0.267 0.000 0.892 52 V HN -0.026 nan 8.190 nan 0.000 0.441 53 T N 4.203 118.983 114.554 0.376 0.000 2.770 53 T HA 0.756 5.114 4.350 0.015 0.000 0.297 53 T C -0.810 174.077 174.700 0.313 0.000 0.997 53 T CA -0.059 62.225 62.100 0.307 0.000 0.949 53 T CB 0.492 69.645 68.868 0.474 0.000 0.941 53 T HN 0.640 nan 8.240 nan 0.000 0.457 54 F N -0.160 119.892 119.950 0.170 0.000 2.770 54 F HA 0.575 5.109 4.527 0.011 0.000 0.313 54 F C -1.237 174.601 175.800 0.063 0.000 1.154 54 F CA -1.601 56.461 58.000 0.102 0.000 0.923 54 F CB 0.579 39.630 39.000 0.085 0.000 1.301 54 F HN 0.193 nan 8.300 nan 0.000 0.449 55 D N 1.111 121.679 120.400 0.281 0.000 2.351 55 D HA 0.346 4.995 4.640 0.015 0.000 0.251 55 D C -0.670 175.774 176.300 0.241 0.000 1.137 55 D CA 0.001 54.097 54.000 0.160 0.000 0.879 55 D CB 0.829 41.698 40.800 0.114 0.000 1.181 55 D HN 0.534 nan 8.370 nan 0.000 0.448 56 R N 2.608 123.183 120.500 0.126 0.000 2.207 56 R HA 0.374 4.723 4.340 0.015 0.000 0.334 56 R C -0.493 175.848 176.300 0.068 0.000 1.013 56 R CA -0.587 55.593 56.100 0.134 0.000 0.858 56 R CB 0.871 31.208 30.300 0.061 0.000 1.094 56 R HN 0.447 nan 8.270 nan 0.000 0.457 57 L N 2.744 124.007 121.223 0.066 0.000 2.290 57 L HA 0.373 4.722 4.340 0.015 0.000 0.284 57 L C -0.754 176.122 176.870 0.011 0.000 1.078 57 L CA -0.054 54.802 54.840 0.026 0.000 0.815 57 L CB 0.706 42.774 42.059 0.016 0.000 1.162 57 L HN 0.640 nan 8.230 nan 0.000 0.435 58 Q N 4.066 123.861 119.800 -0.007 0.000 2.268 58 Q HA 0.547 4.896 4.340 0.015 0.000 0.266 58 Q C -2.129 173.850 176.000 -0.036 0.000 1.006 58 Q CA -0.700 55.092 55.803 -0.018 0.000 0.824 58 Q CB 2.547 31.266 28.738 -0.031 0.000 1.306 58 Q HN 0.571 nan 8.270 nan 0.000 0.424 59 V N 5.317 125.212 119.914 -0.031 0.000 2.524 59 V HA 0.427 4.556 4.120 0.015 0.000 0.297 59 V C -0.437 175.646 176.094 -0.018 0.000 1.035 59 V CA -0.616 61.661 62.300 -0.039 0.000 0.867 59 V CB 1.551 33.351 31.823 -0.040 0.000 1.004 59 V HN 0.755 nan 8.190 nan 0.000 0.426 60 L N 4.746 125.916 121.223 -0.088 0.000 2.379 60 L HA 0.749 5.098 4.340 0.015 0.000 0.269 60 L C -0.145 176.734 176.870 0.016 0.000 1.084 60 L CA -0.375 54.376 54.840 -0.149 0.000 0.802 60 L CB 1.527 43.337 42.059 -0.416 0.000 1.175 60 L HN 0.801 nan 8.230 nan 0.000 0.448 61 D N -1.420 119.062 120.400 0.135 0.000 2.781 61 D HA 0.179 4.828 4.640 0.015 0.000 0.295 61 D C 0.045 176.422 176.300 0.127 0.000 1.143 61 D CA -0.564 53.509 54.000 0.121 0.000 1.076 61 D CB 0.550 41.426 40.800 0.125 0.000 1.444 61 D HN 0.268 nan 8.370 nan 0.000 0.567 62 D N -1.093 119.319 120.400 0.021 0.000 2.104 62 D HA -0.155 4.494 4.640 0.015 0.000 0.194 62 D C 1.771 178.081 176.300 0.017 0.000 0.994 62 D CA 1.363 55.344 54.000 -0.030 0.000 0.830 62 D CB -0.330 40.385 40.800 -0.143 0.000 0.959 62 D HN 0.404 nan 8.370 nan 0.000 0.452 63 H N -0.684 118.458 119.070 0.120 0.000 2.319 63 H HA -0.179 4.386 4.556 0.015 0.000 0.297 63 H C 2.074 177.458 175.328 0.094 0.000 1.097 63 H CA 1.260 57.374 56.048 0.110 0.000 1.285 63 H CB -0.827 29.021 29.762 0.143 0.000 1.368 63 H HN 0.335 nan 8.280 nan 0.000 0.495 64 Y N 1.831 122.197 120.300 0.109 0.000 2.145 64 Y HA -0.232 4.328 4.550 0.017 0.000 0.286 64 Y C 2.716 178.585 175.900 -0.052 0.000 1.145 64 Y CA 1.676 59.721 58.100 -0.091 0.000 1.148 64 Y CB -0.059 38.262 38.460 -0.232 0.000 0.981 64 Y HN -0.026 nan 8.280 nan 0.000 0.507 65 R N 0.090 120.690 120.500 0.165 0.000 2.081 65 R HA -0.155 4.194 4.340 0.015 0.000 0.235 65 R C 1.809 178.100 176.300 -0.015 0.000 1.131 65 R CA 1.508 57.647 56.100 0.065 0.000 0.960 65 R CB -0.394 29.966 30.300 0.099 0.000 0.856 65 R HN 0.379 nan 8.270 nan 0.000 0.436 66 D N 0.203 120.615 120.400 0.020 0.000 2.116 66 D HA -0.144 4.505 4.640 0.015 0.000 0.193 66 D C 1.940 178.232 176.300 -0.013 0.000 0.998 66 D CA 1.200 55.212 54.000 0.020 0.000 0.836 66 D CB -0.262 40.580 40.800 0.071 0.000 0.951 66 D HN 0.003 nan 8.370 nan 0.000 0.449 67 V N 0.936 120.823 119.914 -0.045 0.000 2.427 67 V HA -0.187 3.942 4.120 0.015 0.000 0.248 67 V C 2.386 178.416 176.094 -0.107 0.000 1.051 67 V CA 0.951 63.209 62.300 -0.070 0.000 1.048 67 V CB -0.413 31.343 31.823 -0.113 0.000 0.666 67 V HN 0.144 nan 8.190 nan 0.000 0.456 68 L N 0.416 121.512 121.223 -0.211 0.000 2.046 68 L HA -0.158 4.190 4.340 0.015 0.000 0.208 68 L C 2.327 179.134 176.870 -0.104 0.000 1.077 68 L CA 1.988 56.700 54.840 -0.213 0.000 0.747 68 L CB -0.802 41.075 42.059 -0.304 0.000 0.896 68 L HN 0.202 nan 8.230 nan 0.000 0.432 69 K N -0.375 119.983 120.400 -0.070 0.000 2.057 69 K HA -0.181 4.148 4.320 0.015 0.000 0.207 69 K C 1.987 178.571 176.600 -0.026 0.000 1.049 69 K CA 1.839 58.104 56.287 -0.037 0.000 0.931 69 K CB -0.187 32.301 32.500 -0.020 0.000 0.714 69 K HN 0.462 nan 8.250 nan 0.000 0.440 70 E N 0.486 120.676 120.200 -0.018 0.000 2.058 70 E HA -0.206 4.153 4.350 0.015 0.000 0.194 70 E C 2.034 178.631 176.600 -0.006 0.000 0.997 70 E CA 1.523 57.923 56.400 0.000 0.000 0.801 70 E CB -0.071 29.642 29.700 0.022 0.000 0.746 70 E HN 0.278 nan 8.360 nan 0.000 0.450 71 M N 0.479 120.071 119.600 -0.014 0.000 2.117 71 M HA -0.173 4.316 4.480 0.015 0.000 0.262 71 M C 2.148 178.415 176.300 -0.055 0.000 1.065 71 M CA 1.460 56.738 55.300 -0.037 0.000 1.114 71 M CB -0.161 32.412 32.600 -0.044 0.000 1.361 71 M HN -0.055 nan 8.290 nan 0.000 0.408 72 K N 0.435 120.803 120.400 -0.052 0.000 2.103 72 K HA -0.117 4.212 4.320 0.015 0.000 0.207 72 K C 2.110 178.692 176.600 -0.031 0.000 1.048 72 K CA 1.477 57.737 56.287 -0.045 0.000 0.930 72 K CB -0.356 32.118 32.500 -0.042 0.000 0.716 72 K HN 0.314 nan 8.250 nan 0.000 0.444 73 A N 1.905 124.711 122.820 -0.024 0.000 1.940 73 A HA -0.219 4.110 4.320 0.015 0.000 0.219 73 A C 1.876 179.447 177.584 -0.020 0.000 1.176 73 A CA 1.614 53.641 52.037 -0.017 0.000 0.631 73 A CB -0.255 18.739 19.000 -0.010 0.000 0.814 73 A HN 0.220 nan 8.150 nan 0.000 0.446 74 K N -0.626 119.756 120.400 -0.029 0.000 2.116 74 K HA 0.116 4.444 4.320 0.015 0.000 0.203 74 K C 2.309 178.883 176.600 -0.044 0.000 1.052 74 K CA 0.813 57.078 56.287 -0.038 0.000 0.952 74 K CB -0.264 32.205 32.500 -0.052 0.000 0.729 74 K HN 0.404 nan 8.250 nan 0.000 0.446 75 A N 1.769 124.560 122.820 -0.048 0.000 1.978 75 A HA -0.190 4.139 4.320 0.015 0.000 0.220 75 A C 2.130 179.702 177.584 -0.020 0.000 1.170 75 A CA 2.141 54.155 52.037 -0.037 0.000 0.636 75 A CB -0.703 18.279 19.000 -0.031 0.000 0.810 75 A HN 0.389 nan 8.150 nan 0.000 0.448 76 S N -0.103 115.587 115.700 -0.017 0.000 2.547 76 S HA -0.116 4.363 4.470 0.015 0.000 0.235 76 S C 1.623 176.217 174.600 -0.009 0.000 0.980 76 S CA 1.727 59.922 58.200 -0.009 0.000 0.941 76 S CB -1.111 62.085 63.200 -0.007 0.000 0.763 76 S HN 0.801 nan 8.310 nan 0.000 0.532 77 T N -1.004 113.541 114.554 -0.015 0.000 3.081 77 T HA 0.284 4.643 4.350 0.015 0.000 0.255 77 T C 0.526 175.217 174.700 -0.015 0.000 1.113 77 T CA -0.086 62.006 62.100 -0.014 0.000 1.082 77 T CB -0.397 68.460 68.868 -0.018 0.000 0.939 77 T HN 0.183 nan 8.240 nan 0.000 0.506 78 V N 1.910 121.814 119.914 -0.017 0.000 2.649 78 V HA 0.410 4.539 4.120 0.015 0.000 0.292 78 V C 0.059 176.148 176.094 -0.009 0.000 1.055 78 V CA -0.809 61.480 62.300 -0.019 0.000 1.023 78 V CB 1.290 33.097 31.823 -0.025 0.000 0.992 78 V HN 0.420 nan 8.190 nan 0.000 0.480 79 K N 3.568 123.963 120.400 -0.009 0.000 2.450 79 K HA 0.737 5.066 4.320 0.015 0.000 0.257 79 K C -0.662 175.935 176.600 -0.004 0.000 0.953 79 K CA -0.419 55.867 56.287 -0.002 0.000 0.844 79 K CB 1.457 33.957 32.500 -0.000 0.000 1.103 79 K HN 0.822 nan 8.250 nan 0.000 0.429 80 A N 4.262 127.082 122.820 0.000 0.000 2.312 80 A HA 0.471 4.800 4.320 0.015 0.000 0.326 80 A C -0.911 176.681 177.584 0.013 0.000 1.172 80 A CA -0.847 51.189 52.037 -0.001 0.000 0.821 80 A CB 0.627 19.622 19.000 -0.009 0.000 1.166 80 A HN 0.851 nan 8.150 nan 0.000 0.493 81 K N 1.430 121.840 120.400 0.017 0.000 2.118 81 K HA 0.677 5.005 4.320 0.015 0.000 0.254 81 K C -0.974 175.646 176.600 0.032 0.000 0.961 81 K CA -0.777 55.524 56.287 0.023 0.000 0.876 81 K CB 1.332 33.842 32.500 0.018 0.000 1.077 81 K HN 0.382 nan 8.250 nan 0.000 0.440 82 L N 2.960 124.199 121.223 0.025 0.000 2.313 82 L HA 0.205 4.554 4.340 0.015 0.000 0.282 82 L C -0.958 175.894 176.870 -0.030 0.000 1.092 82 L CA -0.485 54.362 54.840 0.012 0.000 0.831 82 L CB 0.420 42.488 42.059 0.014 0.000 1.159 82 L HN 0.591 nan 8.230 nan 0.000 0.442 83 L N 4.322 125.520 121.223 -0.041 0.000 2.380 83 L HA 0.314 4.663 4.340 0.015 0.000 0.273 83 L C 0.713 177.490 176.870 -0.154 0.000 1.138 83 L CA 0.539 55.338 54.840 -0.069 0.000 0.832 83 L CB 1.018 43.048 42.059 -0.049 0.000 1.124 83 L HN 0.881 nan 8.230 nan 0.000 0.454 84 S N 3.243 118.861 115.700 -0.137 0.000 2.596 84 S HA 0.219 4.698 4.470 0.015 0.000 0.260 84 S C 1.484 175.969 174.600 -0.192 0.000 1.336 84 S CA -0.536 57.562 58.200 -0.170 0.000 0.993 84 S CB 0.367 63.495 63.200 -0.121 0.000 0.923 84 S HN 0.484 nan 8.310 nan 0.000 0.567 85 I N 0.472 120.917 120.570 -0.209 0.000 2.286 85 I HA -0.181 3.998 4.170 0.015 0.000 0.248 85 I C 2.787 178.819 176.117 -0.142 0.000 1.115 85 I CA 1.915 63.100 61.300 -0.191 0.000 1.392 85 I CB -0.587 37.304 38.000 -0.182 0.000 1.065 85 I HN 0.891 nan 8.210 nan 0.000 0.418 86 E N 1.588 121.715 120.200 -0.122 0.000 2.072 86 E HA -0.236 4.123 4.350 0.015 0.000 0.191 86 E C 1.991 178.530 176.600 -0.103 0.000 0.985 86 E CA 1.352 57.692 56.400 -0.100 0.000 0.801 86 E CB 0.062 29.712 29.700 -0.082 0.000 0.750 86 E HN 0.512 nan 8.360 nan 0.000 0.452 87 E N 0.414 120.548 120.200 -0.110 0.000 2.077 87 E HA -0.194 4.165 4.350 0.015 0.000 0.193 87 E C 2.121 178.625 176.600 -0.159 0.000 0.989 87 E CA 0.928 57.256 56.400 -0.120 0.000 0.800 87 E CB -0.186 29.451 29.700 -0.105 0.000 0.746 87 E HN 0.368 nan 8.360 nan 0.000 0.452 88 A N 1.096 123.822 122.820 -0.158 0.000 1.902 88 A HA -0.188 4.141 4.320 0.015 0.000 0.217 88 A C 2.456 179.956 177.584 -0.140 0.000 1.181 88 A CA 1.215 53.154 52.037 -0.163 0.000 0.623 88 A CB -0.925 17.994 19.000 -0.136 0.000 0.818 88 A HN 0.365 nan 8.150 nan 0.000 0.443 89 C N -0.450 118.781 119.300 -0.116 0.000 2.413 89 C HA -0.092 4.377 4.460 0.015 0.000 0.276 89 C C 2.568 177.497 174.990 -0.102 0.000 1.248 89 C CA 1.356 60.316 59.018 -0.097 0.000 1.742 89 C CB -1.056 26.631 27.740 -0.088 0.000 2.017 89 C HN 0.585 nan 8.230 nan 0.000 0.481 90 K N 0.411 120.750 120.400 -0.101 0.000 2.442 90 K HA 0.034 4.363 4.320 0.015 0.000 0.198 90 K C 1.371 177.930 176.600 -0.069 0.000 1.042 90 K CA 0.705 56.946 56.287 -0.076 0.000 0.958 90 K CB -0.127 32.337 32.500 -0.060 0.000 0.766 90 K HN 0.553 nan 8.250 nan 0.000 0.474 91 L N 0.569 121.710 121.223 -0.137 0.000 2.591 91 L HA 0.015 4.364 4.340 0.015 0.000 0.228 91 L C 0.349 177.135 176.870 -0.139 0.000 1.133 91 L CA 0.222 54.958 54.840 -0.174 0.000 0.880 91 L CB 0.141 41.981 42.059 -0.364 0.000 1.033 91 L HN -0.053 nan 8.230 nan 0.000 0.450 92 T N 2.190 116.661 114.554 -0.139 0.000 2.737 92 T HA 0.206 4.565 4.350 0.015 0.000 0.296 92 T C -2.318 172.210 174.700 -0.287 0.000 0.922 92 T CA -1.154 60.844 62.100 -0.170 0.000 1.079 92 T CB 0.895 69.685 68.868 -0.130 0.000 0.892 92 T HN -0.129 nan 8.240 nan 0.000 0.514 93 P HA 0.110 nan 4.420 nan 0.000 0.265 93 P C -1.934 174.971 177.300 -0.660 0.000 1.193 93 P CA -1.300 61.407 63.100 -0.655 0.000 0.765 93 P CB 0.165 31.393 31.700 -0.788 0.000 0.823 94 P HA -0.152 nan 4.420 nan 0.000 0.222 94 P C 0.644 177.812 177.300 -0.220 0.000 1.147 94 P CA 1.547 64.425 63.100 -0.369 0.000 0.790 94 P CB -0.437 31.074 31.700 -0.315 0.000 0.780 95 H N -4.121 114.857 119.070 -0.154 0.000 2.551 95 H HA 0.356 4.920 4.556 0.015 0.000 0.271 95 H C 0.720 175.993 175.328 -0.092 0.000 0.984 95 H CA -0.483 55.509 56.048 -0.093 0.000 1.164 95 H CB -0.683 29.039 29.762 -0.067 0.000 1.437 95 H HN -0.157 nan 8.280 nan 0.000 0.550 96 S N 0.908 116.418 115.700 -0.316 0.000 2.558 96 S HA 0.301 4.780 4.470 0.015 0.000 0.288 96 S C 0.779 175.320 174.600 -0.098 0.000 1.318 96 S CA -0.245 57.831 58.200 -0.205 0.000 1.056 96 S CB -0.174 62.889 63.200 -0.227 0.000 0.853 96 S HN 0.731 nan 8.310 nan 0.000 0.505 97 A N 4.925 127.684 122.820 -0.101 0.000 2.566 97 A HA 0.208 4.537 4.320 0.015 0.000 0.245 97 A C 0.634 178.203 177.584 -0.026 0.000 1.056 97 A CA -0.031 51.974 52.037 -0.054 0.000 0.757 97 A CB -0.268 18.689 19.000 -0.072 0.000 0.979 97 A HN 0.891 nan 8.150 nan 0.000 0.508 98 K N 2.374 122.755 120.400 -0.031 0.000 2.336 98 K HA 0.275 4.604 4.320 0.015 0.000 0.262 98 K C 0.391 176.916 176.600 -0.125 0.000 0.992 98 K CA 0.192 56.431 56.287 -0.080 0.000 0.927 98 K CB 0.363 32.814 32.500 -0.082 0.000 0.956 98 K HN 0.477 nan 8.250 nan 0.000 0.495 99 S N 0.061 115.577 115.700 -0.308 0.000 2.592 99 S HA 0.029 4.508 4.470 0.015 0.000 0.271 99 S C 0.822 175.217 174.600 -0.342 0.000 1.326 99 S CA -0.538 57.434 58.200 -0.381 0.000 1.024 99 S CB 0.948 63.561 63.200 -0.977 0.000 0.921 99 S HN 0.790 nan 8.310 nan 0.000 0.527 100 K N 1.874 122.072 120.400 -0.336 0.000 2.504 100 K HA 0.081 4.410 4.320 0.015 0.000 0.195 100 K C -0.249 175.926 176.600 -0.710 0.000 1.036 100 K CA 0.827 56.788 56.287 -0.543 0.000 0.984 100 K CB -0.090 31.963 32.500 -0.745 0.000 0.788 100 K HN 0.704 nan 8.250 nan 0.000 0.488 101 F N -0.057 119.686 119.950 -0.344 0.000 2.923 101 F HA 0.305 4.841 4.527 0.014 0.000 0.314 101 F C 0.860 176.550 175.800 -0.183 0.000 1.196 101 F CA -0.108 57.708 58.000 -0.307 0.000 1.320 101 F CB 1.297 39.961 39.000 -0.561 0.000 0.953 101 F HN 0.078 nan 8.300 nan 0.000 0.505 102 G N 0.554 109.308 108.800 -0.076 0.000 2.130 102 G HA2 -0.252 3.717 3.960 0.015 0.000 0.216 102 G HA3 -0.252 3.717 3.960 0.015 0.000 0.216 102 G C -0.447 174.538 174.900 0.142 0.000 0.999 102 G CA 0.013 45.137 45.100 0.040 0.000 0.686 102 G HN 0.580 nan 8.290 nan 0.000 0.515 103 Y N -2.682 117.615 120.300 -0.005 0.000 2.641 103 Y HA 0.727 5.286 4.550 0.015 0.000 0.333 103 Y C 0.292 176.196 175.900 0.006 0.000 1.174 103 Y CA -0.908 57.193 58.100 0.003 0.000 1.057 103 Y CB 0.502 38.970 38.460 0.014 0.000 1.322 103 Y HN 0.767 nan 8.280 nan 0.000 0.457 104 G N 0.097 108.974 108.800 0.128 0.000 3.211 104 G HA2 0.556 4.525 3.960 0.015 0.000 0.262 104 G HA3 0.556 4.525 3.960 0.015 0.000 0.262 104 G C 0.287 175.252 174.900 0.108 0.000 1.352 104 G CA -0.730 44.393 45.100 0.039 0.000 1.004 104 G HN 1.231 nan 8.290 nan 0.000 0.559 105 A N -0.202 122.630 122.820 0.020 0.000 1.908 105 A HA -0.076 4.253 4.320 0.015 0.000 0.218 105 A C 2.211 179.778 177.584 -0.029 0.000 1.181 105 A CA 2.646 54.670 52.037 -0.021 0.000 0.627 105 A CB -0.615 18.324 19.000 -0.100 0.000 0.818 105 A HN 0.720 nan 8.150 nan 0.000 0.445 106 K N 0.169 120.555 120.400 -0.023 0.000 2.057 106 K HA -0.141 4.188 4.320 0.015 0.000 0.207 106 K C 1.166 177.761 176.600 -0.008 0.000 1.049 106 K CA 1.820 58.089 56.287 -0.030 0.000 0.931 106 K CB -0.531 31.956 32.500 -0.021 0.000 0.714 106 K HN 0.348 nan 8.250 nan 0.000 0.440 107 D N 0.698 121.119 120.400 0.035 0.000 2.178 107 D HA -0.108 4.541 4.640 0.015 0.000 0.201 107 D C 2.004 178.305 176.300 0.001 0.000 0.980 107 D CA 1.194 55.215 54.000 0.036 0.000 0.842 107 D CB -0.067 40.795 40.800 0.103 0.000 0.948 107 D HN 0.111 nan 8.370 nan 0.000 0.472 108 V N 1.207 121.138 119.914 0.029 0.000 2.323 108 V HA -0.184 3.945 4.120 0.015 0.000 0.244 108 V C 2.446 178.511 176.094 -0.049 0.000 1.041 108 V CA 1.399 63.693 62.300 -0.010 0.000 1.025 108 V CB -0.299 31.552 31.823 0.046 0.000 0.656 108 V HN 0.105 nan 8.190 nan 0.000 0.451 109 R N 0.508 120.973 120.500 -0.058 0.000 2.152 109 R HA -0.098 4.251 4.340 0.015 0.000 0.232 109 R C 1.669 177.933 176.300 -0.060 0.000 1.117 109 R CA 1.304 57.358 56.100 -0.076 0.000 0.981 109 R CB -0.327 29.910 30.300 -0.106 0.000 0.870 109 R HN 0.489 nan 8.270 nan 0.000 0.451 110 N N 0.690 119.360 118.700 -0.049 0.000 2.398 110 N HA 0.077 4.826 4.740 0.015 0.000 0.188 110 N C 0.170 175.652 175.510 -0.048 0.000 1.122 110 N CA 0.266 53.291 53.050 -0.042 0.000 0.866 110 N CB 0.200 38.669 38.487 -0.031 0.000 0.970 110 N HN 0.113 nan 8.380 nan 0.000 0.462 111 L N 0.542 121.729 121.223 -0.060 0.000 3.717 111 L HA -0.231 4.118 4.340 0.015 0.000 0.414 111 L C 0.215 177.041 176.870 -0.072 0.000 1.228 111 L CA -0.000 54.796 54.840 -0.072 0.000 0.918 111 L CB -2.605 39.415 42.059 -0.065 0.000 1.865 111 L HN 0.172 nan 8.230 nan 0.000 0.922 112 S N -1.631 114.025 115.700 -0.073 0.000 2.573 112 S HA 0.185 4.664 4.470 0.015 0.000 0.277 112 S C 1.352 175.900 174.600 -0.088 0.000 1.346 112 S CA 0.272 58.433 58.200 -0.065 0.000 1.034 112 S CB 1.906 65.078 63.200 -0.047 0.000 0.879 112 S HN 0.358 nan 8.310 nan 0.000 0.528 113 S N 1.790 117.453 115.700 -0.062 0.000 2.359 113 S HA -0.192 4.287 4.470 0.015 0.000 0.224 113 S C 2.055 176.609 174.600 -0.077 0.000 1.035 113 S CA 1.635 59.799 58.200 -0.059 0.000 1.018 113 S CB -0.594 62.586 63.200 -0.034 0.000 0.876 113 S HN 0.827 nan 8.310 nan 0.000 0.448 114 R N 0.210 120.666 120.500 -0.073 0.000 2.075 114 R HA -0.006 4.342 4.340 0.015 0.000 0.232 114 R C 2.447 178.607 176.300 -0.233 0.000 1.126 114 R CA 1.331 57.390 56.100 -0.069 0.000 0.963 114 R CB -0.609 29.695 30.300 0.005 0.000 0.858 114 R HN 0.464 nan 8.270 nan 0.000 0.435 115 A N 0.466 123.026 122.820 -0.433 0.000 1.858 115 A HA -0.139 4.190 4.320 0.015 0.000 0.216 115 A C 2.256 179.556 177.584 -0.473 0.000 1.190 115 A CA 1.800 53.279 52.037 -0.929 0.000 0.617 115 A CB -0.924 17.646 19.000 -0.715 0.000 0.827 115 A HN 0.343 nan 8.150 nan 0.000 0.443 116 V N -1.236 118.524 119.914 -0.256 0.000 2.358 116 V HA -0.224 3.905 4.120 0.015 0.000 0.246 116 V C 1.914 177.936 176.094 -0.119 0.000 1.047 116 V CA 2.368 64.570 62.300 -0.162 0.000 1.035 116 V CB -1.263 30.486 31.823 -0.123 0.000 0.658 116 V HN 0.437 nan 8.190 nan 0.000 0.452 117 N N 0.459 119.102 118.700 -0.096 0.000 2.061 117 N HA -0.236 4.513 4.740 0.015 0.000 0.193 117 N C 1.977 177.469 175.510 -0.030 0.000 1.030 117 N CA 2.279 55.300 53.050 -0.048 0.000 0.856 117 N CB -0.914 37.560 38.487 -0.021 0.000 1.023 117 N HN 0.823 nan 8.380 nan 0.000 0.424 118 H N 0.613 119.612 119.070 -0.120 0.000 2.353 118 H HA 0.024 4.588 4.556 0.014 0.000 0.300 118 H C 2.122 177.420 175.328 -0.050 0.000 1.090 118 H CA 1.077 57.083 56.048 -0.071 0.000 1.327 118 H CB -0.059 29.719 29.762 0.026 0.000 1.383 118 H HN 0.150 nan 8.280 nan 0.000 0.508 119 I N 0.664 121.156 120.570 -0.130 0.000 2.208 119 I HA -0.279 3.900 4.170 0.015 0.000 0.245 119 I C 2.857 178.925 176.117 -0.083 0.000 1.097 119 I CA 1.154 62.389 61.300 -0.109 0.000 1.363 119 I CB -0.218 37.747 38.000 -0.059 0.000 1.051 119 I HN 0.201 nan 8.210 nan 0.000 0.413 120 R N 0.455 120.911 120.500 -0.073 0.000 2.096 120 R HA -0.154 4.195 4.340 0.015 0.000 0.235 120 R C 2.532 178.843 176.300 0.017 0.000 1.127 120 R CA 1.819 57.913 56.100 -0.011 0.000 0.968 120 R CB -0.427 29.856 30.300 -0.029 0.000 0.861 120 R HN 0.494 nan 8.270 nan 0.000 0.440 121 S N -0.017 115.632 115.700 -0.085 0.000 2.414 121 S HA -0.035 4.444 4.470 0.015 0.000 0.227 121 S C 2.099 176.610 174.600 -0.149 0.000 1.022 121 S CA 0.726 58.862 58.200 -0.106 0.000 0.958 121 S CB -0.214 62.908 63.200 -0.129 0.000 0.797 121 S HN 0.037 nan 8.310 nan 0.000 0.493 122 V N 1.118 120.888 119.914 -0.240 0.000 2.295 122 V HA -0.129 4.000 4.120 0.015 0.000 0.246 122 V C 2.232 178.310 176.094 -0.028 0.000 1.049 122 V CA 1.832 64.019 62.300 -0.189 0.000 1.024 122 V CB -1.035 30.648 31.823 -0.233 0.000 0.648 122 V HN 0.716 nan 8.190 nan 0.000 0.447 123 W N 1.134 122.352 121.300 -0.136 0.000 2.333 123 W HA -0.197 4.473 4.660 0.016 0.000 0.316 123 W C 2.413 178.886 176.519 -0.078 0.000 1.215 123 W CA 2.062 59.353 57.345 -0.089 0.000 1.278 123 W CB -0.096 29.319 29.460 -0.075 0.000 1.154 123 W HN 0.292 nan 8.180 nan 0.000 0.486 124 E N 0.410 120.625 120.200 0.026 0.000 2.085 124 E HA -0.257 4.102 4.350 0.015 0.000 0.194 124 E C 1.510 178.024 176.600 -0.143 0.000 0.994 124 E CA 2.041 58.400 56.400 -0.067 0.000 0.801 124 E CB -0.974 28.728 29.700 0.003 0.000 0.743 124 E HN 0.474 nan 8.360 nan 0.000 0.453 125 D N 0.237 120.561 120.400 -0.126 0.000 2.178 125 D HA -0.113 4.536 4.640 0.015 0.000 0.201 125 D C 2.033 178.231 176.300 -0.170 0.000 0.980 125 D CA 0.645 54.568 54.000 -0.129 0.000 0.842 125 D CB -0.021 40.713 40.800 -0.111 0.000 0.948 125 D HN 0.076 nan 8.370 nan 0.000 0.472 126 L N -0.107 120.969 121.223 -0.244 0.000 2.141 126 L HA -0.088 4.261 4.340 0.015 0.000 0.209 126 L C 2.285 178.955 176.870 -0.333 0.000 1.094 126 L CA 0.551 55.210 54.840 -0.301 0.000 0.763 126 L CB -0.259 41.558 42.059 -0.403 0.000 0.908 126 L HN 0.230 nan 8.230 nan 0.000 0.437 127 L N -0.990 119.998 121.223 -0.391 0.000 2.217 127 L HA -0.121 4.228 4.340 0.015 0.000 0.211 127 L C 2.163 178.925 176.870 -0.179 0.000 1.107 127 L CA 1.015 55.671 54.840 -0.306 0.000 0.783 127 L CB -0.338 41.536 42.059 -0.307 0.000 0.919 127 L HN 0.266 nan 8.230 nan 0.000 0.442 128 E N -0.843 119.265 120.200 -0.152 0.000 2.166 128 E HA -0.052 4.307 4.350 0.015 0.000 0.192 128 E C 0.403 176.952 176.600 -0.086 0.000 0.967 128 E CA 0.214 56.554 56.400 -0.100 0.000 0.840 128 E CB 0.413 30.064 29.700 -0.081 0.000 0.795 128 E HN 0.154 nan 8.360 nan 0.000 0.470 129 D N 0.402 120.745 120.400 -0.096 0.000 2.392 129 D HA 0.031 4.680 4.640 0.015 0.000 0.228 129 D C 0.207 176.457 176.300 -0.083 0.000 1.074 129 D CA -0.086 53.869 54.000 -0.076 0.000 0.838 129 D CB 1.423 42.183 40.800 -0.067 0.000 1.067 129 D HN 0.013 nan 8.370 nan 0.000 0.511 130 T N 0.199 114.713 114.554 -0.068 0.000 3.122 130 T HA 0.139 4.498 4.350 0.015 0.000 0.250 130 T C 0.932 175.601 174.700 -0.053 0.000 1.067 130 T CA 0.053 62.113 62.100 -0.067 0.000 0.966 130 T CB 0.322 69.157 68.868 -0.055 0.000 1.002 130 T HN 0.523 nan 8.240 nan 0.000 0.542 131 E N 0.685 120.858 120.200 -0.045 0.000 2.583 131 E HA 0.113 4.472 4.350 0.015 0.000 0.204 131 E C -0.352 176.235 176.600 -0.022 0.000 0.860 131 E CA -0.039 56.343 56.400 -0.030 0.000 1.473 131 E CB 0.349 30.036 29.700 -0.022 0.000 1.469 131 E HN 0.302 nan 8.360 nan 0.000 0.788 132 T N 4.841 119.381 114.554 -0.024 0.000 2.829 132 T HA 0.155 4.514 4.350 0.015 0.000 0.293 132 T C -2.537 172.157 174.700 -0.010 0.000 0.970 132 T CA -0.831 61.264 62.100 -0.009 0.000 1.168 132 T CB 0.853 69.716 68.868 -0.010 0.000 0.911 132 T HN 0.109 nan 8.240 nan 0.000 0.535 133 P HA 0.150 nan 4.420 nan 0.000 0.266 133 P C -0.158 177.133 177.300 -0.016 0.000 1.195 133 P CA -0.092 63.009 63.100 0.002 0.000 0.768 133 P CB 0.375 32.108 31.700 0.054 0.000 0.838 134 I N 2.123 122.668 120.570 -0.042 0.000 2.440 134 I HA 0.164 4.343 4.170 0.015 0.000 0.294 134 I C 0.931 177.028 176.117 -0.034 0.000 0.995 134 I CA -0.486 60.796 61.300 -0.030 0.000 1.306 134 I CB 0.858 38.832 38.000 -0.044 0.000 1.407 134 I HN 0.315 nan 8.210 nan 0.000 0.501 135 D N 3.912 124.309 120.400 -0.005 0.000 2.382 135 D HA 0.223 4.872 4.640 0.015 0.000 0.240 135 D C -0.376 175.894 176.300 -0.050 0.000 1.146 135 D CA 0.279 54.264 54.000 -0.025 0.000 0.897 135 D CB 0.847 41.651 40.800 0.007 0.000 1.197 135 D HN 0.629 nan 8.370 nan 0.000 0.432 136 T N -1.091 113.405 114.554 -0.097 0.000 2.896 136 T HA 0.590 4.949 4.350 0.015 0.000 0.297 136 T C -0.459 174.106 174.700 -0.225 0.000 1.108 136 T CA -0.973 61.037 62.100 -0.150 0.000 1.004 136 T CB 1.467 70.263 68.868 -0.120 0.000 1.159 136 T HN 0.210 nan 8.240 nan 0.000 0.499 137 T N 2.297 116.582 114.554 -0.448 0.000 2.837 137 T HA 0.572 4.931 4.350 0.015 0.000 0.285 137 T C -0.278 174.167 174.700 -0.425 0.000 0.984 137 T CA -0.592 61.212 62.100 -0.492 0.000 1.049 137 T CB 0.714 69.138 68.868 -0.740 0.000 0.947 137 T HN 0.710 nan 8.240 nan 0.000 0.472 138 I N 4.066 124.541 120.570 -0.159 0.000 2.377 138 I HA 0.493 4.672 4.170 0.015 0.000 0.293 138 I C -0.931 175.207 176.117 0.036 0.000 0.987 138 I CA -0.787 60.505 61.300 -0.013 0.000 1.185 138 I CB 0.678 38.729 38.000 0.086 0.000 1.341 138 I HN 0.393 nan 8.210 nan 0.000 0.455 139 M N 6.338 126.006 119.600 0.113 0.000 2.572 139 M HA 0.482 4.971 4.480 0.015 0.000 0.299 139 M C -0.491 175.877 176.300 0.113 0.000 1.205 139 M CA -0.633 54.747 55.300 0.134 0.000 0.876 139 M CB 1.782 34.521 32.600 0.231 0.000 1.728 139 M HN 0.581 nan 8.290 nan 0.000 0.458 140 A N 2.248 125.115 122.820 0.079 0.000 2.362 140 A HA 0.384 4.713 4.320 0.015 0.000 0.276 140 A C 0.052 177.682 177.584 0.076 0.000 1.153 140 A CA -0.333 51.743 52.037 0.065 0.000 0.813 140 A CB 0.202 19.227 19.000 0.040 0.000 1.081 140 A HN 0.775 nan 8.150 nan 0.000 0.507 141 K N 1.769 122.216 120.400 0.078 0.000 2.298 141 K HA 0.252 4.581 4.320 0.015 0.000 0.280 141 K C 0.056 176.677 176.600 0.034 0.000 1.032 141 K CA 0.021 56.345 56.287 0.062 0.000 0.958 141 K CB 0.567 33.110 32.500 0.071 0.000 0.978 141 K HN 0.631 nan 8.250 nan 0.000 0.472 142 S N 3.671 119.367 115.700 -0.006 0.000 2.411 142 S HA 0.178 4.657 4.470 0.015 0.000 0.294 142 S C -1.045 173.457 174.600 -0.163 0.000 1.115 142 S CA -0.512 57.648 58.200 -0.066 0.000 1.071 142 S CB 0.262 63.423 63.200 -0.065 0.000 0.967 142 S HN 0.583 nan 8.310 nan 0.000 0.488 143 E N 2.658 122.732 120.200 -0.210 0.000 2.343 143 E HA 0.496 4.855 4.350 0.015 0.000 0.270 143 E C -1.342 174.845 176.600 -0.688 0.000 0.895 143 E CA -1.000 55.153 56.400 -0.411 0.000 0.767 143 E CB 2.189 31.703 29.700 -0.309 0.000 1.248 143 E HN 0.398 nan 8.360 nan 0.000 0.440 144 V N 2.912 122.260 119.914 -0.942 0.000 2.472 144 V HA 0.533 4.662 4.120 0.015 0.000 0.290 144 V C -0.810 174.611 176.094 -1.122 0.000 1.037 144 V CA -0.280 61.459 62.300 -0.934 0.000 0.908 144 V CB 0.418 31.792 31.823 -0.749 0.000 0.985 144 V HN 0.528 nan 8.190 nan 0.000 0.454 145 F N 2.031 121.609 119.950 -0.621 0.000 2.664 145 F HA 0.575 5.111 4.527 0.015 0.000 0.317 145 F C -0.001 175.620 175.800 -0.298 0.000 1.108 145 F CA -0.686 57.032 58.000 -0.471 0.000 0.957 145 F CB 1.473 40.150 39.000 -0.538 0.000 1.365 145 F HN 0.523 nan 8.300 nan 0.000 0.475 146 C N 2.900 122.303 119.300 0.172 0.000 2.350 146 C HA 0.764 5.233 4.460 0.015 0.000 0.348 146 C C 0.191 175.379 174.990 0.329 0.000 1.260 146 C CA -0.696 58.452 59.018 0.218 0.000 1.966 146 C CB -0.052 27.767 27.740 0.131 0.000 2.380 146 C HN 0.704 nan 8.230 nan 0.000 0.535 147 V N 4.798 124.915 119.914 0.339 0.000 3.032 147 V HA 0.164 4.293 4.120 0.015 0.000 0.307 147 V C 0.226 176.391 176.094 0.118 0.000 1.097 147 V CA -0.010 62.423 62.300 0.222 0.000 1.191 147 V CB 0.206 32.085 31.823 0.093 0.000 0.964 147 V HN 1.026 nan 8.190 nan 0.000 0.494 148 Q N 4.290 124.125 119.800 0.058 0.000 2.314 148 Q HA 0.242 4.591 4.340 0.015 0.000 0.258 148 Q C -1.623 174.383 176.000 0.010 0.000 0.954 148 Q CA -1.278 54.539 55.803 0.023 0.000 0.890 148 Q CB 1.368 30.103 28.738 -0.005 0.000 1.210 148 Q HN 0.677 nan 8.270 nan 0.000 0.410 149 P HA -0.274 nan 4.420 nan 0.000 0.221 149 P C -0.518 176.778 177.300 -0.006 0.000 1.160 149 P CA 1.651 64.753 63.100 0.002 0.000 0.933 149 P CB -0.091 31.609 31.700 -0.001 0.000 0.793 150 E N 0.607 120.800 120.200 -0.011 0.000 2.166 150 E HA 0.062 4.420 4.350 0.015 0.000 0.279 150 E C -0.004 176.584 176.600 -0.022 0.000 1.095 150 E CA -0.813 55.578 56.400 -0.016 0.000 0.888 150 E CB 0.286 29.976 29.700 -0.017 0.000 1.041 150 E HN -0.118 nan 8.360 nan 0.000 0.414 151 K N 2.909 123.295 120.400 -0.023 0.000 2.419 151 K HA -0.098 4.231 4.320 0.015 0.000 0.258 151 K C 0.484 177.061 176.600 -0.038 0.000 1.089 151 K CA 1.801 58.071 56.287 -0.030 0.000 1.180 151 K CB -0.850 31.633 32.500 -0.029 0.000 0.778 151 K HN 0.929 nan 8.250 nan 0.000 0.492 152 G N 2.502 111.273 108.800 -0.049 0.000 2.760 152 G HA2 0.252 4.221 3.960 0.015 0.000 0.246 152 G HA3 0.252 4.221 3.960 0.015 0.000 0.246 152 G C 0.577 175.435 174.900 -0.070 0.000 1.359 152 G CA -0.041 45.017 45.100 -0.070 0.000 0.861 152 G HN 1.760 nan 8.290 nan 0.000 0.541 153 G N -1.475 107.272 108.800 -0.088 0.000 2.135 153 G HA2 -0.021 3.948 3.960 0.015 0.000 0.183 153 G HA3 -0.021 3.948 3.960 0.015 0.000 0.183 153 G C 0.377 175.219 174.900 -0.097 0.000 1.004 153 G CA 0.933 45.987 45.100 -0.076 0.000 0.677 153 G HN 1.105 nan 8.290 nan 0.000 0.512 154 R N 0.489 120.884 120.500 -0.175 0.000 2.619 154 R HA 0.181 4.530 4.340 0.015 0.000 0.268 154 R C 0.694 176.942 176.300 -0.088 0.000 0.990 154 R CA 0.588 56.538 56.100 -0.249 0.000 1.092 154 R CB 0.402 30.351 30.300 -0.585 0.000 0.935 154 R HN 0.358 nan 8.270 nan 0.000 0.415 155 K N 4.119 124.525 120.400 0.009 0.000 2.326 155 K HA 0.142 4.471 4.320 0.015 0.000 0.275 155 K C -1.961 174.659 176.600 0.033 0.000 1.018 155 K CA -1.296 54.958 56.287 -0.055 0.000 0.962 155 K CB 0.314 32.646 32.500 -0.279 0.000 0.953 155 K HN 0.373 nan 8.250 nan 0.000 0.475 156 P HA 0.057 nan 4.420 nan 0.000 0.276 156 P C -0.815 176.524 177.300 0.066 0.000 1.244 156 P CA -0.472 62.648 63.100 0.034 0.000 0.801 156 P CB 0.752 32.453 31.700 0.002 0.000 1.006 157 A N 3.254 126.122 122.820 0.079 0.000 2.520 157 A HA 0.049 4.378 4.320 0.015 0.000 0.235 157 A C 0.658 178.290 177.584 0.079 0.000 1.065 157 A CA 0.106 52.199 52.037 0.094 0.000 0.764 157 A CB -0.349 18.694 19.000 0.073 0.000 1.002 157 A HN 0.476 nan 8.150 nan 0.000 0.502 158 R N 0.129 120.691 120.500 0.104 0.000 2.615 158 R HA 0.452 4.801 4.340 0.015 0.000 0.270 158 R C -0.816 175.540 176.300 0.094 0.000 1.081 158 R CA -0.251 55.911 56.100 0.103 0.000 1.154 158 R CB 0.446 30.823 30.300 0.127 0.000 1.063 158 R HN 0.652 nan 8.270 nan 0.000 0.519 159 L N 4.433 125.717 121.223 0.100 0.000 2.287 159 L HA 0.487 4.836 4.340 0.015 0.000 0.287 159 L C 0.088 177.050 176.870 0.153 0.000 1.022 159 L CA -0.680 54.223 54.840 0.105 0.000 0.814 159 L CB 1.154 43.255 42.059 0.070 0.000 1.217 159 L HN 0.529 nan 8.230 nan 0.000 0.420 160 I N 1.045 121.722 120.570 0.178 0.000 2.460 160 I HA 0.727 4.906 4.170 0.015 0.000 0.298 160 I C -0.726 175.554 176.117 0.270 0.000 0.989 160 I CA -0.856 60.586 61.300 0.237 0.000 1.173 160 I CB 2.019 40.169 38.000 0.250 0.000 1.338 160 I HN 0.203 nan 8.210 nan 0.000 0.456 161 V N 6.578 126.657 119.914 0.275 0.000 2.525 161 V HA 0.581 4.710 4.120 0.015 0.000 0.299 161 V C -0.718 175.530 176.094 0.256 0.000 1.034 161 V CA -0.383 62.020 62.300 0.173 0.000 0.863 161 V CB 1.310 33.221 31.823 0.147 0.000 0.999 161 V HN 0.740 nan 8.190 nan 0.000 0.423 162 F N 4.854 124.853 119.950 0.082 0.000 2.608 162 F HA 0.935 5.472 4.527 0.017 0.000 0.309 162 F C -3.015 172.827 175.800 0.070 0.000 1.103 162 F CA -2.521 55.528 58.000 0.081 0.000 0.954 162 F CB 1.793 40.838 39.000 0.075 0.000 1.267 162 F HN 0.301 nan 8.300 nan 0.000 0.444 163 P HA 0.176 nan 4.420 nan 0.000 0.282 163 P C -1.006 176.426 177.300 0.219 0.000 1.287 163 P CA -0.129 63.044 63.100 0.122 0.000 0.792 163 P CB 1.055 32.829 31.700 0.123 0.000 1.163 164 D N -1.067 119.444 120.400 0.185 0.000 2.368 164 D HA -0.031 4.618 4.640 0.015 0.000 0.240 164 D C 1.342 177.782 176.300 0.234 0.000 1.169 164 D CA -0.328 53.808 54.000 0.227 0.000 0.906 164 D CB 0.283 41.259 40.800 0.294 0.000 1.187 164 D HN 0.106 nan 8.370 nan 0.000 0.435 165 L N 2.925 124.268 121.223 0.199 0.000 2.043 165 L HA 0.006 4.355 4.340 0.015 0.000 0.212 165 L C 2.006 179.026 176.870 0.251 0.000 1.075 165 L CA 2.557 57.505 54.840 0.179 0.000 0.752 165 L CB -1.092 41.031 42.059 0.106 0.000 0.891 165 L HN 0.656 nan 8.230 nan 0.000 0.432 166 G N -0.990 108.026 108.800 0.360 0.000 2.459 166 G HA2 -0.238 3.731 3.960 0.015 0.000 0.217 166 G HA3 -0.238 3.731 3.960 0.015 0.000 0.217 166 G C 1.549 176.566 174.900 0.196 0.000 1.183 166 G CA 1.226 46.547 45.100 0.368 0.000 0.776 166 G HN 0.348 nan 8.290 nan 0.000 0.552 167 V N 0.959 120.980 119.914 0.179 0.000 2.287 167 V HA -0.233 3.896 4.120 0.015 0.000 0.248 167 V C 2.966 179.147 176.094 0.145 0.000 1.053 167 V CA 2.210 64.589 62.300 0.132 0.000 1.027 167 V CB -0.510 31.382 31.823 0.115 0.000 0.646 167 V HN 0.355 nan 8.190 nan 0.000 0.447 168 R N -0.404 120.190 120.500 0.156 0.000 2.096 168 R HA -0.121 4.228 4.340 0.015 0.000 0.235 168 R C 2.206 178.573 176.300 0.111 0.000 1.127 168 R CA 1.471 57.655 56.100 0.140 0.000 0.968 168 R CB -0.627 29.748 30.300 0.125 0.000 0.861 168 R HN 0.447 nan 8.270 nan 0.000 0.440 169 V N 0.507 120.482 119.914 0.102 0.000 2.358 169 V HA -0.287 3.842 4.120 0.015 0.000 0.246 169 V C 2.536 178.671 176.094 0.068 0.000 1.047 169 V CA 1.557 63.891 62.300 0.056 0.000 1.035 169 V CB -0.506 31.343 31.823 0.042 0.000 0.658 169 V HN 0.437 nan 8.190 nan 0.000 0.452 170 C N -0.144 119.236 119.300 0.134 0.000 2.413 170 C HA -0.161 4.308 4.460 0.015 0.000 0.276 170 C C 2.681 177.838 174.990 0.279 0.000 1.248 170 C CA 0.956 60.127 59.018 0.256 0.000 1.742 170 C CB -1.014 26.942 27.740 0.359 0.000 2.017 170 C HN 0.617 nan 8.230 nan 0.000 0.481 171 E N 0.800 121.125 120.200 0.210 0.000 2.070 171 E HA -0.250 4.109 4.350 0.015 0.000 0.197 171 E C 2.175 178.891 176.600 0.193 0.000 1.004 171 E CA 1.373 57.904 56.400 0.219 0.000 0.805 171 E CB -0.166 29.669 29.700 0.224 0.000 0.744 171 E HN 0.633 nan 8.360 nan 0.000 0.451 172 K N 0.210 120.693 120.400 0.138 0.000 2.063 172 K HA -0.142 4.187 4.320 0.015 0.000 0.208 172 K C 2.209 178.865 176.600 0.095 0.000 1.048 172 K CA 1.457 57.810 56.287 0.110 0.000 0.928 172 K CB -0.133 32.360 32.500 -0.011 0.000 0.713 172 K HN 0.133 nan 8.250 nan 0.000 0.442 173 M N 0.115 119.733 119.600 0.031 0.000 2.108 173 M HA -0.182 4.307 4.480 0.015 0.000 0.261 173 M C 2.410 178.743 176.300 0.055 0.000 1.066 173 M CA 1.766 57.022 55.300 -0.073 0.000 1.107 173 M CB -0.310 32.064 32.600 -0.377 0.000 1.356 173 M HN 0.244 nan 8.290 nan 0.000 0.406 174 A N -0.629 122.331 122.820 0.233 0.000 1.970 174 A HA 0.039 4.368 4.320 0.015 0.000 0.216 174 A C 1.814 179.489 177.584 0.151 0.000 1.170 174 A CA 1.152 53.365 52.037 0.295 0.000 0.645 174 A CB -0.156 19.067 19.000 0.371 0.000 0.816 174 A HN 0.499 nan 8.150 nan 0.000 0.447 175 L N -3.101 118.200 121.223 0.130 0.000 3.039 175 L HA 0.199 4.548 4.340 0.015 0.000 0.269 175 L C 1.770 178.669 176.870 0.049 0.000 1.169 175 L CA 0.003 54.864 54.840 0.034 0.000 0.986 175 L CB 0.150 42.211 42.059 0.003 0.000 1.377 175 L HN 0.443 nan 8.230 nan 0.000 0.575 176 Y N 1.354 121.664 120.300 0.017 0.000 2.181 176 Y HA -0.305 4.254 4.550 0.015 0.000 0.288 176 Y C 2.174 178.102 175.900 0.046 0.000 1.146 176 Y CA 2.258 60.386 58.100 0.048 0.000 1.164 176 Y CB 0.116 38.597 38.460 0.036 0.000 0.982 176 Y HN 0.229 nan 8.280 nan 0.000 0.515 177 D N -0.772 119.625 120.400 -0.005 0.000 2.123 177 D HA -0.153 4.496 4.640 0.015 0.000 0.200 177 D C 2.247 178.466 176.300 -0.135 0.000 0.976 177 D CA 1.326 55.272 54.000 -0.089 0.000 0.831 177 D CB -0.228 40.579 40.800 0.013 0.000 0.974 177 D HN 0.244 nan 8.370 nan 0.000 0.469 178 V N 0.571 120.413 119.914 -0.120 0.000 2.231 178 V HA -0.255 3.874 4.120 0.015 0.000 0.248 178 V C 2.679 178.643 176.094 -0.218 0.000 1.054 178 V CA 2.008 64.206 62.300 -0.170 0.000 1.015 178 V CB -0.725 30.952 31.823 -0.243 0.000 0.638 178 V HN 0.361 nan 8.190 nan 0.000 0.444 179 V N -2.792 116.975 119.914 -0.245 0.000 3.041 179 V HA -0.044 4.085 4.120 0.015 0.000 0.260 179 V C 2.004 177.935 176.094 -0.273 0.000 1.105 179 V CA 1.912 64.066 62.300 -0.244 0.000 1.125 179 V CB -0.175 31.528 31.823 -0.200 0.000 0.730 179 V HN 0.451 nan 8.190 nan 0.000 0.479 180 S N 0.278 115.809 115.700 -0.282 0.000 2.458 180 S HA 0.011 4.490 4.470 0.015 0.000 0.223 180 S C 1.835 176.333 174.600 -0.169 0.000 1.019 180 S CA 1.448 59.502 58.200 -0.243 0.000 0.937 180 S CB 0.065 63.053 63.200 -0.353 0.000 0.788 180 S HN 0.766 nan 8.310 nan 0.000 0.511 181 T N 1.295 115.744 114.554 -0.175 0.000 3.019 181 T HA 0.285 4.644 4.350 0.015 0.000 0.247 181 T C 1.625 176.229 174.700 -0.161 0.000 0.992 181 T CA -0.130 61.890 62.100 -0.134 0.000 1.036 181 T CB -0.109 68.700 68.868 -0.097 0.000 1.063 181 T HN 0.191 nan 8.240 nan 0.000 0.476 182 L N 2.027 123.149 121.223 -0.168 0.000 2.093 182 L HA 0.047 4.396 4.340 0.015 0.000 0.208 182 L C -1.085 175.629 176.870 -0.261 0.000 1.085 182 L CA 1.328 56.074 54.840 -0.157 0.000 0.755 182 L CB -0.756 41.260 42.059 -0.072 0.000 0.904 182 L HN 0.107 nan 8.230 nan 0.000 0.435 183 P HA -0.254 nan 4.420 nan 0.000 0.215 183 P C 1.300 178.167 177.300 -0.721 0.000 1.157 183 P CA 1.580 64.248 63.100 -0.719 0.000 0.868 183 P CB -0.043 30.865 31.700 -1.321 0.000 0.788 184 Q N -0.564 118.879 119.800 -0.595 0.000 2.167 184 Q HA -0.115 4.234 4.340 0.015 0.000 0.202 184 Q C 1.943 177.822 176.000 -0.202 0.000 0.970 184 Q CA 1.556 57.188 55.803 -0.285 0.000 0.855 184 Q CB -0.592 28.084 28.738 -0.102 0.000 0.911 184 Q HN 0.084 nan 8.270 nan 0.000 0.438 185 A N -0.302 122.402 122.820 -0.193 0.000 1.969 185 A HA -0.070 4.259 4.320 0.015 0.000 0.218 185 A C 2.047 179.547 177.584 -0.140 0.000 1.169 185 A CA 1.277 53.236 52.037 -0.130 0.000 0.635 185 A CB -0.235 18.703 19.000 -0.104 0.000 0.810 185 A HN 0.300 nan 8.150 nan 0.000 0.445 186 V N -1.128 118.665 119.914 -0.202 0.000 2.599 186 V HA -0.026 4.103 4.120 0.015 0.000 0.245 186 V C 2.201 178.118 176.094 -0.295 0.000 1.046 186 V CA 1.778 63.947 62.300 -0.218 0.000 1.065 186 V CB -0.309 31.368 31.823 -0.243 0.000 0.703 186 V HN 0.559 nan 8.190 nan 0.000 0.464 187 M N -1.255 118.129 119.600 -0.359 0.000 2.308 187 M HA 0.367 4.855 4.480 0.015 0.000 0.269 187 M C 1.445 177.645 176.300 -0.166 0.000 1.040 187 M CA 0.686 55.711 55.300 -0.459 0.000 1.024 187 M CB 0.761 32.996 32.600 -0.608 0.000 1.465 187 M HN 0.440 nan 8.290 nan 0.000 0.517 188 G N 1.750 110.479 108.800 -0.118 0.000 2.627 188 G HA2 -0.411 3.558 3.960 0.015 0.000 0.312 188 G HA3 -0.411 3.558 3.960 0.015 0.000 0.312 188 G C 0.811 175.692 174.900 -0.031 0.000 1.299 188 G CA 0.983 46.055 45.100 -0.046 0.000 0.989 188 G HN 0.553 nan 8.290 nan 0.000 0.547 189 S N -0.751 114.959 115.700 0.017 0.000 2.500 189 S HA 0.067 4.546 4.470 0.015 0.000 0.239 189 S C 2.186 176.705 174.600 -0.134 0.000 0.989 189 S CA 1.948 60.133 58.200 -0.025 0.000 0.951 189 S CB -0.092 63.207 63.200 0.164 0.000 0.759 189 S HN 0.924 nan 8.310 nan 0.000 0.523 190 S N 0.171 115.889 115.700 0.030 0.000 2.489 190 S HA 0.141 4.620 4.470 0.015 0.000 0.228 190 S C 0.187 174.809 174.600 0.036 0.000 0.995 190 S CA -0.136 58.121 58.200 0.095 0.000 0.934 190 S CB -0.385 62.998 63.200 0.304 0.000 0.771 190 S HN 0.717 nan 8.310 nan 0.000 0.522 191 Y N 2.736 122.919 120.300 -0.194 0.000 2.531 191 Y HA 0.444 5.002 4.550 0.014 0.000 0.347 191 Y C 1.253 176.953 175.900 -0.335 0.000 1.024 191 Y CA -1.352 56.607 58.100 -0.235 0.000 1.306 191 Y CB 0.106 38.426 38.460 -0.233 0.000 1.149 191 Y HN 0.054 nan 8.280 nan 0.000 0.527 192 G N 4.655 113.040 108.800 -0.692 0.000 2.422 192 G HA2 -0.252 3.717 3.960 0.015 0.000 0.218 192 G HA3 -0.252 3.717 3.960 0.015 0.000 0.218 192 G C 1.178 175.534 174.900 -0.906 0.000 1.140 192 G CA 0.208 44.900 45.100 -0.680 0.000 0.775 192 G HN 0.702 nan 8.290 nan 0.000 0.545 193 F N 1.282 120.514 119.950 -1.197 0.000 2.699 193 F HA 0.020 4.556 4.527 0.014 0.000 0.298 193 F C 2.877 178.414 175.800 -0.437 0.000 1.154 193 F CA 0.973 58.375 58.000 -0.997 0.000 1.457 193 F CB 0.149 38.549 39.000 -1.000 0.000 1.106 193 F HN 0.306 nan 8.300 nan 0.000 0.585 194 Q N -0.260 119.270 119.800 -0.450 0.000 2.435 194 Q HA -0.064 4.285 4.340 0.015 0.000 0.207 194 Q C -0.498 175.364 176.000 -0.229 0.000 0.956 194 Q CA 0.652 56.297 55.803 -0.264 0.000 0.917 194 Q CB -0.330 28.154 28.738 -0.422 0.000 0.997 194 Q HN 0.410 nan 8.270 nan 0.000 0.497 195 Y N 2.077 122.382 120.300 0.008 0.000 2.330 195 Y HA 0.268 4.827 4.550 0.015 0.000 0.336 195 Y C 0.699 176.458 175.900 -0.235 0.000 1.036 195 Y CA -1.069 56.979 58.100 -0.087 0.000 1.125 195 Y CB 1.369 39.733 38.460 -0.160 0.000 1.194 195 Y HN 0.088 nan 8.280 nan 0.000 0.469 196 S N 2.670 118.096 115.700 -0.455 0.000 2.596 196 S HA 0.108 4.587 4.470 0.015 0.000 0.260 196 S C -2.028 172.224 174.600 -0.580 0.000 1.336 196 S CA -1.023 56.439 58.200 -1.230 0.000 0.993 196 S CB 0.918 63.532 63.200 -0.977 0.000 0.923 196 S HN 0.453 nan 8.310 nan 0.000 0.567 197 P HA -0.036 nan 4.420 nan 0.000 0.218 197 P C 1.367 178.539 177.300 -0.213 0.000 1.149 197 P CA 1.076 63.999 63.100 -0.295 0.000 0.817 197 P CB 0.049 31.598 31.700 -0.252 0.000 0.785 198 K N 0.160 120.393 120.400 -0.279 0.000 2.057 198 K HA -0.180 4.149 4.320 0.015 0.000 0.206 198 K C 2.095 178.619 176.600 -0.126 0.000 1.050 198 K CA 1.413 57.609 56.287 -0.151 0.000 0.935 198 K CB -0.226 32.174 32.500 -0.167 0.000 0.715 198 K HN 0.078 nan 8.250 nan 0.000 0.439 199 Q N -0.109 119.602 119.800 -0.148 0.000 2.167 199 Q HA -0.129 4.220 4.340 0.015 0.000 0.202 199 Q C 2.162 177.996 176.000 -0.277 0.000 0.970 199 Q CA 1.213 56.947 55.803 -0.116 0.000 0.855 199 Q CB -0.040 28.724 28.738 0.043 0.000 0.911 199 Q HN 0.264 nan 8.270 nan 0.000 0.438 200 R N 0.312 120.671 120.500 -0.234 0.000 2.075 200 R HA -0.122 4.227 4.340 0.015 0.000 0.232 200 R C 2.030 178.221 176.300 -0.181 0.000 1.126 200 R CA 1.172 57.106 56.100 -0.278 0.000 0.963 200 R CB -0.077 30.158 30.300 -0.109 0.000 0.858 200 R HN 0.102 nan 8.270 nan 0.000 0.435 201 V N 1.411 121.249 119.914 -0.126 0.000 2.295 201 V HA -0.235 3.894 4.120 0.015 0.000 0.246 201 V C 2.367 178.383 176.094 -0.130 0.000 1.049 201 V CA 2.209 64.448 62.300 -0.102 0.000 1.024 201 V CB -0.606 31.199 31.823 -0.030 0.000 0.648 201 V HN 0.493 nan 8.190 nan 0.000 0.447 202 E N -0.231 119.902 120.200 -0.112 0.000 2.070 202 E HA -0.303 4.056 4.350 0.015 0.000 0.197 202 E C 2.136 178.658 176.600 -0.129 0.000 1.004 202 E CA 2.001 58.338 56.400 -0.105 0.000 0.805 202 E CB -0.269 29.391 29.700 -0.068 0.000 0.744 202 E HN 0.577 nan 8.360 nan 0.000 0.451 203 F N 0.980 120.733 119.950 -0.328 0.000 2.095 203 F HA -0.186 4.350 4.527 0.015 0.000 0.298 203 F C 2.046 177.708 175.800 -0.230 0.000 1.104 203 F CA 1.368 59.164 58.000 -0.340 0.000 1.232 203 F CB -0.053 38.559 39.000 -0.646 0.000 0.987 203 F HN 0.017 nan 8.300 nan 0.000 0.475 204 L N -0.743 120.367 121.223 -0.190 0.000 2.056 204 L HA -0.207 4.142 4.340 0.015 0.000 0.207 204 L C 2.279 179.006 176.870 -0.239 0.000 1.078 204 L CA 0.874 55.584 54.840 -0.217 0.000 0.749 204 L CB -0.673 41.298 42.059 -0.146 0.000 0.901 204 L HN 0.038 nan 8.230 nan 0.000 0.433 205 V N -0.058 119.691 119.914 -0.274 0.000 2.323 205 V HA -0.246 3.883 4.120 0.015 0.000 0.244 205 V C 1.991 177.962 176.094 -0.205 0.000 1.041 205 V CA 1.991 64.102 62.300 -0.315 0.000 1.025 205 V CB -0.760 30.735 31.823 -0.547 0.000 0.656 205 V HN 0.494 nan 8.190 nan 0.000 0.451 206 N N -0.045 118.524 118.700 -0.219 0.000 2.069 206 N HA -0.194 4.555 4.740 0.015 0.000 0.191 206 N C 1.825 177.209 175.510 -0.209 0.000 1.031 206 N CA 1.881 54.819 53.050 -0.185 0.000 0.852 206 N CB -0.273 38.108 38.487 -0.177 0.000 1.018 206 N HN 0.432 nan 8.380 nan 0.000 0.423 207 T N 0.342 114.693 114.554 -0.337 0.000 2.708 207 T HA -0.195 4.164 4.350 0.015 0.000 0.266 207 T C 1.330 175.941 174.700 -0.148 0.000 1.037 207 T CA 0.826 62.725 62.100 -0.334 0.000 1.146 207 T CB -0.357 68.183 68.868 -0.546 0.000 0.865 207 T HN 0.440 nan 8.240 nan 0.000 0.435 208 W N 2.180 123.317 121.300 -0.271 0.000 2.338 208 W HA -0.092 4.577 4.660 0.014 0.000 0.304 208 W C 1.794 178.220 176.519 -0.155 0.000 1.212 208 W CA 1.193 58.420 57.345 -0.198 0.000 1.264 208 W CB -0.161 29.179 29.460 -0.200 0.000 1.142 208 W HN 0.259 nan 8.180 nan 0.000 0.512 209 K N 0.187 120.595 120.400 0.013 0.000 2.365 209 K HA -0.103 4.225 4.320 0.015 0.000 0.199 209 K C 2.080 178.617 176.600 -0.104 0.000 1.045 209 K CA 1.394 57.654 56.287 -0.044 0.000 0.962 209 K CB -0.145 32.344 32.500 -0.018 0.000 0.759 209 K HN 0.053 nan 8.250 nan 0.000 0.469 210 S N 0.357 115.979 115.700 -0.131 0.000 2.527 210 S HA 0.038 4.517 4.470 0.015 0.000 0.222 210 S C 0.537 175.052 174.600 -0.142 0.000 0.985 210 S CA 0.068 58.194 58.200 -0.123 0.000 0.921 210 S CB 0.105 63.232 63.200 -0.123 0.000 0.772 210 S HN -0.040 nan 8.310 nan 0.000 0.529 211 K N 1.978 122.255 120.400 -0.205 0.000 2.174 211 K HA 0.281 4.610 4.320 0.015 0.000 0.275 211 K C 0.826 177.311 176.600 -0.192 0.000 1.015 211 K CA -0.404 55.754 56.287 -0.215 0.000 0.933 211 K CB 1.380 33.693 32.500 -0.312 0.000 1.025 211 K HN 0.177 nan 8.250 nan 0.000 0.463 212 K N 0.824 121.140 120.400 -0.141 0.000 2.009 212 K HA -0.138 4.191 4.320 0.015 0.000 0.210 212 K C 0.145 176.667 176.600 -0.130 0.000 1.049 212 K CA 1.345 57.566 56.287 -0.110 0.000 0.929 212 K CB 0.095 32.548 32.500 -0.078 0.000 0.714 212 K HN 0.537 nan 8.250 nan 0.000 0.440 213 C N 3.139 122.351 119.300 -0.147 0.000 2.653 213 C HA 0.479 4.948 4.460 0.015 0.000 0.291 213 C C -2.703 172.150 174.990 -0.229 0.000 1.064 213 C CA -2.539 56.389 59.018 -0.150 0.000 1.469 213 C CB 0.697 28.394 27.740 -0.073 0.000 1.861 213 C HN 0.319 nan 8.230 nan 0.000 0.434 214 P HA 0.154 nan 4.420 nan 0.000 0.268 214 P C -0.641 176.301 177.300 -0.597 0.000 1.204 214 P CA 0.380 62.995 63.100 -0.808 0.000 0.768 214 P CB 0.813 31.377 31.700 -1.894 0.000 0.842 215 M N 2.596 121.942 119.600 -0.423 0.000 2.395 215 M HA 0.631 5.120 4.480 0.015 0.000 0.307 215 M C -0.934 175.295 176.300 -0.118 0.000 1.091 215 M CA -0.336 54.786 55.300 -0.297 0.000 0.919 215 M CB 2.387 34.858 32.600 -0.214 0.000 1.662 215 M HN 0.544 nan 8.290 nan 0.000 0.440 216 G N 4.007 112.851 108.800 0.075 0.000 2.563 216 G HA2 0.826 4.795 3.960 0.015 0.000 0.302 216 G HA3 0.826 4.795 3.960 0.015 0.000 0.302 216 G C -1.945 173.027 174.900 0.120 0.000 1.301 216 G CA -0.606 44.572 45.100 0.130 0.000 0.965 216 G HN 0.775 nan 8.290 nan 0.000 0.480 217 F N -0.109 119.810 119.950 -0.052 0.000 2.641 217 F HA 0.773 5.309 4.527 0.015 0.000 0.308 217 F C -0.135 175.655 175.800 -0.015 0.000 1.105 217 F CA -1.414 56.555 58.000 -0.052 0.000 0.964 217 F CB 1.456 40.408 39.000 -0.080 0.000 1.294 217 F HN 0.613 nan 8.300 nan 0.000 0.442 218 S N 1.622 117.415 115.700 0.155 0.000 2.616 218 S HA 0.610 5.089 4.470 0.015 0.000 0.277 218 S C -1.474 173.345 174.600 0.366 0.000 1.234 218 S CA -0.541 57.740 58.200 0.135 0.000 1.028 218 S CB 1.526 64.773 63.200 0.078 0.000 0.988 218 S HN 0.860 nan 8.310 nan 0.000 0.522 219 Y N 1.273 121.701 120.300 0.214 0.000 2.326 219 Y HA 0.428 4.987 4.550 0.014 0.000 0.329 219 Y C -1.091 174.939 175.900 0.216 0.000 0.973 219 Y CA -0.890 57.390 58.100 0.300 0.000 1.162 219 Y CB 1.460 40.206 38.460 0.475 0.000 1.147 219 Y HN 0.874 nan 8.280 nan 0.000 0.456 220 D N 4.515 124.748 120.400 -0.278 0.000 2.443 220 D HA 0.210 4.859 4.640 0.015 0.000 0.221 220 D C -0.784 175.372 176.300 -0.240 0.000 1.097 220 D CA -0.116 53.796 54.000 -0.148 0.000 0.865 220 D CB 0.862 41.609 40.800 -0.088 0.000 1.034 220 D HN 0.452 nan 8.370 nan 0.000 0.511 221 T N 3.939 118.512 114.554 0.032 0.000 2.779 221 T HA 0.088 4.447 4.350 0.015 0.000 0.296 221 T C 0.531 175.326 174.700 0.159 0.000 0.938 221 T CA -0.395 61.813 62.100 0.180 0.000 1.119 221 T CB 0.510 69.715 68.868 0.562 0.000 0.891 221 T HN 0.316 nan 8.240 nan 0.000 0.526 222 R N 2.547 123.094 120.500 0.079 0.000 2.458 222 R HA 0.076 4.425 4.340 0.015 0.000 0.303 222 R C -0.066 176.331 176.300 0.161 0.000 1.013 222 R CA -0.187 55.957 56.100 0.073 0.000 1.026 222 R CB -0.584 29.709 30.300 -0.012 0.000 0.948 222 R HN 0.943 nan 8.270 nan 0.000 0.417 223 C N 5.513 124.935 119.300 0.203 0.000 3.727 223 C HA -0.170 4.299 4.460 0.015 0.000 0.293 223 C C 1.384 176.570 174.990 0.326 0.000 1.339 223 C CA 0.193 59.379 59.018 0.281 0.000 2.150 223 C CB -3.037 24.915 27.740 0.353 0.000 1.383 223 C HN 1.025 nan 8.230 nan 0.000 0.614 224 F N 1.963 122.025 119.950 0.187 0.000 2.043 224 F HA -0.224 4.314 4.527 0.018 0.000 0.297 224 F C 1.991 177.899 175.800 0.181 0.000 1.118 224 F CA 2.515 60.627 58.000 0.186 0.000 1.202 224 F CB -0.077 39.023 39.000 0.167 0.000 0.965 224 F HN 0.451 nan 8.300 nan 0.000 0.482 225 D N -0.352 120.290 120.400 0.403 0.000 2.149 225 D HA -0.198 4.451 4.640 0.015 0.000 0.194 225 D C 2.426 178.795 176.300 0.115 0.000 1.001 225 D CA 1.835 55.996 54.000 0.269 0.000 0.849 225 D CB -0.574 40.388 40.800 0.271 0.000 0.939 225 D HN 0.258 nan 8.370 nan 0.000 0.449 226 S N -0.855 114.933 115.700 0.147 0.000 2.453 226 S HA -0.088 4.391 4.470 0.015 0.000 0.231 226 S C 1.978 176.548 174.600 -0.050 0.000 1.005 226 S CA 1.288 59.495 58.200 0.011 0.000 0.949 226 S CB -0.147 63.086 63.200 0.055 0.000 0.774 226 S HN 0.539 nan 8.310 nan 0.000 0.510 227 T N -0.562 114.013 114.554 0.036 0.000 3.067 227 T HA 0.138 4.497 4.350 0.015 0.000 0.261 227 T C 0.618 175.238 174.700 -0.133 0.000 1.110 227 T CA 0.014 62.118 62.100 0.006 0.000 1.113 227 T CB -0.386 68.451 68.868 -0.052 0.000 0.917 227 T HN 0.025 nan 8.240 nan 0.000 0.499 228 V N 4.123 123.926 119.914 -0.186 0.000 2.485 228 V HA 0.291 4.420 4.120 0.015 0.000 0.287 228 V C 1.196 177.239 176.094 -0.085 0.000 1.022 228 V CA -0.122 62.097 62.300 -0.135 0.000 1.067 228 V CB -0.006 31.781 31.823 -0.059 0.000 0.967 228 V HN 0.732 nan 8.190 nan 0.000 0.479 229 T N 1.186 115.704 114.554 -0.060 0.000 2.862 229 T HA 0.358 4.717 4.350 0.015 0.000 0.276 229 T C 0.945 175.626 174.700 -0.032 0.000 0.974 229 T CA -0.608 61.461 62.100 -0.052 0.000 0.966 229 T CB 1.318 70.161 68.868 -0.042 0.000 1.072 229 T HN 0.622 nan 8.240 nan 0.000 0.538 230 E N 0.201 120.382 120.200 -0.031 0.000 2.110 230 E HA -0.107 4.252 4.350 0.015 0.000 0.193 230 E C 2.282 178.881 176.600 -0.001 0.000 0.988 230 E CA 1.083 57.476 56.400 -0.011 0.000 0.804 230 E CB -0.231 29.462 29.700 -0.013 0.000 0.745 230 E HN 0.630 nan 8.360 nan 0.000 0.458 231 S N 0.822 116.516 115.700 -0.010 0.000 2.359 231 S HA -0.215 4.264 4.470 0.015 0.000 0.224 231 S C 1.521 176.131 174.600 0.016 0.000 1.035 231 S CA 1.684 59.882 58.200 -0.003 0.000 1.018 231 S CB -0.304 62.883 63.200 -0.023 0.000 0.876 231 S HN 0.176 nan 8.310 nan 0.000 0.448 232 D N 1.033 121.442 120.400 0.015 0.000 2.123 232 D HA -0.084 4.565 4.640 0.015 0.000 0.196 232 D C 1.848 178.160 176.300 0.020 0.000 0.992 232 D CA 1.267 55.289 54.000 0.038 0.000 0.833 232 D CB -0.421 40.396 40.800 0.028 0.000 0.954 232 D HN 0.474 nan 8.370 nan 0.000 0.455 233 I N 0.435 121.016 120.570 0.019 0.000 2.394 233 I HA -0.172 4.007 4.170 0.015 0.000 0.251 233 I C 2.450 178.577 176.117 0.017 0.000 1.136 233 I CA 0.788 62.105 61.300 0.028 0.000 1.425 233 I CB 0.010 38.048 38.000 0.063 0.000 1.079 233 I HN -0.093 nan 8.210 nan 0.000 0.425 234 R N -0.097 120.413 120.500 0.017 0.000 2.090 234 R HA -0.061 4.288 4.340 0.015 0.000 0.228 234 R C 2.322 178.610 176.300 -0.021 0.000 1.110 234 R CA 0.941 57.047 56.100 0.010 0.000 0.973 234 R CB -0.379 29.930 30.300 0.015 0.000 0.869 234 R HN 0.187 nan 8.270 nan 0.000 0.440 235 V N 1.730 121.635 119.914 -0.014 0.000 2.332 235 V HA -0.288 3.841 4.120 0.015 0.000 0.248 235 V C 2.449 178.469 176.094 -0.123 0.000 1.055 235 V CA 2.149 64.431 62.300 -0.029 0.000 1.038 235 V CB -0.532 31.317 31.823 0.042 0.000 0.651 235 V HN 0.438 nan 8.190 nan 0.000 0.450 236 E N 0.195 120.296 120.200 -0.166 0.000 2.085 236 E HA -0.311 4.048 4.350 0.015 0.000 0.194 236 E C 2.273 178.486 176.600 -0.645 0.000 0.994 236 E CA 1.767 57.938 56.400 -0.381 0.000 0.801 236 E CB -0.262 29.258 29.700 -0.301 0.000 0.743 236 E HN 0.708 nan 8.360 nan 0.000 0.453 237 E N 0.386 120.389 120.200 -0.329 0.000 2.118 237 E HA -0.205 4.153 4.350 0.015 0.000 0.195 237 E C 2.142 178.675 176.600 -0.112 0.000 0.992 237 E CA 1.506 57.816 56.400 -0.152 0.000 0.804 237 E CB -0.135 29.598 29.700 0.055 0.000 0.741 237 E HN 0.349 nan 8.360 nan 0.000 0.458 238 S N 0.275 115.909 115.700 -0.111 0.000 2.399 238 S HA -0.136 4.343 4.470 0.015 0.000 0.231 238 S C 2.035 176.588 174.600 -0.079 0.000 1.022 238 S CA 1.002 59.165 58.200 -0.062 0.000 0.983 238 S CB -0.517 62.655 63.200 -0.047 0.000 0.803 238 S HN 0.335 nan 8.310 nan 0.000 0.480 239 I N -0.106 120.363 120.570 -0.168 0.000 2.233 239 I HA -0.104 4.075 4.170 0.015 0.000 0.243 239 I C 2.300 178.406 176.117 -0.018 0.000 1.093 239 I CA 1.232 62.450 61.300 -0.138 0.000 1.380 239 I CB -0.660 37.210 38.000 -0.217 0.000 1.067 239 I HN 0.218 nan 8.210 nan 0.000 0.413 240 Y N 1.392 121.680 120.300 -0.021 0.000 2.207 240 Y HA -0.223 4.336 4.550 0.015 0.000 0.287 240 Y C 2.666 178.564 175.900 -0.003 0.000 1.156 240 Y CA 0.737 58.829 58.100 -0.013 0.000 1.182 240 Y CB -1.071 37.394 38.460 0.008 0.000 0.979 240 Y HN 0.269 nan 8.280 nan 0.000 0.521 241 Q N -1.372 118.516 119.800 0.146 0.000 2.436 241 Q HA -0.099 4.250 4.340 0.015 0.000 0.209 241 Q C 2.168 178.200 176.000 0.054 0.000 0.965 241 Q CA 0.851 56.707 55.803 0.089 0.000 0.910 241 Q CB -0.586 28.189 28.738 0.061 0.000 0.980 241 Q HN 0.514 nan 8.270 nan 0.000 0.491 242 C N 0.027 119.353 119.300 0.044 0.000 2.481 242 C HA 0.031 4.500 4.460 0.015 0.000 0.275 242 C C 1.555 176.560 174.990 0.025 0.000 1.419 242 C CA -0.838 58.193 59.018 0.023 0.000 1.773 242 C CB -0.727 27.016 27.740 0.006 0.000 1.862 242 C HN 0.396 nan 8.230 nan 0.000 0.530 243 C N 1.929 121.253 119.300 0.041 0.000 2.700 243 C HA 0.089 4.558 4.460 0.015 0.000 0.397 243 C C 0.673 175.678 174.990 0.025 0.000 1.301 243 C CA -0.229 58.806 59.018 0.029 0.000 2.219 243 C CB -0.280 27.480 27.740 0.033 0.000 2.699 243 C HN 0.517 nan 8.230 nan 0.000 0.669 244 D N 1.425 121.835 120.400 0.017 0.000 2.348 244 D HA 0.419 5.068 4.640 0.015 0.000 0.253 244 D C -0.924 175.390 176.300 0.023 0.000 1.161 244 D CA 0.285 54.295 54.000 0.018 0.000 0.876 244 D CB 0.443 41.251 40.800 0.012 0.000 1.160 244 D HN 0.402 nan 8.370 nan 0.000 0.459 245 L N 2.297 123.538 121.223 0.030 0.000 2.388 245 L HA 0.506 4.855 4.340 0.015 0.000 0.264 245 L C 0.236 177.132 176.870 0.044 0.000 0.998 245 L CA -1.111 53.753 54.840 0.040 0.000 0.817 245 L CB 1.956 44.044 42.059 0.049 0.000 1.338 245 L HN 0.395 nan 8.230 nan 0.000 0.414 246 A N 2.739 125.592 122.820 0.055 0.000 2.483 246 A HA 0.329 4.658 4.320 0.015 0.000 0.238 246 A C -1.777 175.848 177.584 0.069 0.000 1.070 246 A CA -0.763 51.312 52.037 0.062 0.000 0.770 246 A CB -0.146 18.901 19.000 0.078 0.000 1.008 246 A HN 0.631 nan 8.150 nan 0.000 0.497 247 P HA -0.202 nan 4.420 nan 0.000 0.216 247 P C 1.087 178.418 177.300 0.051 0.000 1.157 247 P CA 1.831 64.958 63.100 0.044 0.000 0.880 247 P CB 0.109 31.831 31.700 0.037 0.000 0.791 248 E N -0.755 119.503 120.200 0.097 0.000 2.110 248 E HA -0.134 4.225 4.350 0.015 0.000 0.193 248 E C 2.065 178.747 176.600 0.136 0.000 0.988 248 E CA 1.158 57.634 56.400 0.126 0.000 0.804 248 E CB -0.489 29.397 29.700 0.309 0.000 0.745 248 E HN 0.179 nan 8.360 nan 0.000 0.458 249 A N 1.570 124.514 122.820 0.206 0.000 1.930 249 A HA -0.173 4.156 4.320 0.015 0.000 0.217 249 A C 2.105 179.744 177.584 0.090 0.000 1.175 249 A CA 1.258 53.420 52.037 0.208 0.000 0.627 249 A CB -0.385 18.722 19.000 0.179 0.000 0.815 249 A HN 0.063 nan 8.150 nan 0.000 0.443 250 R N -0.880 119.656 120.500 0.061 0.000 2.081 250 R HA -0.207 4.142 4.340 0.015 0.000 0.235 250 R C 2.376 178.677 176.300 0.002 0.000 1.131 250 R CA 1.900 58.023 56.100 0.038 0.000 0.960 250 R CB -0.216 30.104 30.300 0.034 0.000 0.856 250 R HN 0.527 nan 8.270 nan 0.000 0.436 251 Q N 0.340 120.118 119.800 -0.038 0.000 2.046 251 Q HA -0.053 4.295 4.340 0.015 0.000 0.200 251 Q C 1.855 177.765 176.000 -0.150 0.000 0.975 251 Q CA 2.189 57.936 55.803 -0.094 0.000 0.836 251 Q CB -0.392 28.269 28.738 -0.128 0.000 0.896 251 Q HN 0.408 nan 8.270 nan 0.000 0.428 252 A N 0.311 122.996 122.820 -0.226 0.000 1.917 252 A HA -0.205 4.124 4.320 0.015 0.000 0.219 252 A C 2.174 179.697 177.584 -0.102 0.000 1.182 252 A CA 1.786 53.652 52.037 -0.286 0.000 0.633 252 A CB -0.880 17.895 19.000 -0.375 0.000 0.819 252 A HN 0.496 nan 8.150 nan 0.000 0.448 253 I N -1.390 119.177 120.570 -0.004 0.000 2.252 253 I HA -0.225 3.954 4.170 0.015 0.000 0.245 253 I C 2.670 178.830 176.117 0.073 0.000 1.102 253 I CA 1.660 63.010 61.300 0.084 0.000 1.385 253 I CB -0.253 37.822 38.000 0.125 0.000 1.064 253 I HN 0.353 nan 8.210 nan 0.000 0.414 254 R N 1.051 121.567 120.500 0.026 0.000 2.070 254 R HA -0.143 4.206 4.340 0.015 0.000 0.233 254 R C 2.329 178.611 176.300 -0.030 0.000 1.137 254 R CA 2.246 58.353 56.100 0.011 0.000 0.945 254 R CB -0.483 29.812 30.300 -0.008 0.000 0.845 254 R HN 0.151 nan 8.270 nan 0.000 0.430 255 S N 0.422 116.074 115.700 -0.081 0.000 2.355 255 S HA -0.056 4.422 4.470 0.015 0.000 0.222 255 S C 1.855 176.366 174.600 -0.149 0.000 1.031 255 S CA 1.340 59.472 58.200 -0.114 0.000 0.993 255 S CB -0.295 62.811 63.200 -0.156 0.000 0.859 255 S HN 0.269 nan 8.310 nan 0.000 0.453 256 L N 1.088 122.197 121.223 -0.190 0.000 2.079 256 L HA -0.155 4.193 4.340 0.015 0.000 0.210 256 L C 2.672 179.272 176.870 -0.449 0.000 1.081 256 L CA 1.191 55.804 54.840 -0.379 0.000 0.752 256 L CB -1.101 40.712 42.059 -0.410 0.000 0.896 256 L HN 0.322 nan 8.230 nan 0.000 0.433 257 T N -1.042 113.442 114.554 -0.117 0.000 2.708 257 T HA -0.154 4.205 4.350 0.015 0.000 0.266 257 T C 1.776 176.482 174.700 0.009 0.000 1.037 257 T CA 1.192 63.340 62.100 0.080 0.000 1.146 257 T CB -0.073 68.897 68.868 0.171 0.000 0.865 257 T HN 0.275 nan 8.240 nan 0.000 0.435 258 E N 0.708 120.892 120.200 -0.028 0.000 2.216 258 E HA 0.060 4.419 4.350 0.015 0.000 0.192 258 E C 2.253 178.829 176.600 -0.039 0.000 0.988 258 E CA 0.648 57.036 56.400 -0.020 0.000 0.834 258 E CB 0.015 29.702 29.700 -0.021 0.000 0.772 258 E HN 0.443 nan 8.360 nan 0.000 0.479 259 R N -0.699 119.747 120.500 -0.090 0.000 2.254 259 R HA 0.150 4.499 4.340 0.015 0.000 0.193 259 R C 1.720 177.953 176.300 -0.112 0.000 0.929 259 R CA 0.184 56.231 56.100 -0.088 0.000 1.038 259 R CB 0.403 30.642 30.300 -0.102 0.000 1.009 259 R HN 0.014 nan 8.270 nan 0.000 0.512 260 L N -2.071 119.045 121.223 -0.178 0.000 2.691 260 L HA 0.200 4.549 4.340 0.015 0.000 0.185 260 L C 1.200 178.040 176.870 -0.050 0.000 1.081 260 L CA 0.773 55.505 54.840 -0.180 0.000 0.865 260 L CB -0.196 41.666 42.059 -0.329 0.000 1.370 260 L HN -0.123 nan 8.230 nan 0.000 0.488 261 Y N 1.269 121.582 120.300 0.021 0.000 2.242 261 Y HA -0.008 4.550 4.550 0.014 0.000 0.291 261 Y C 2.441 178.346 175.900 0.009 0.000 1.137 261 Y CA 1.410 59.530 58.100 0.034 0.000 1.181 261 Y CB -1.028 37.474 38.460 0.071 0.000 0.989 261 Y HN 0.359 nan 8.280 nan 0.000 0.527 262 I N -2.527 118.125 120.570 0.137 0.000 3.111 262 I HA 0.395 4.574 4.170 0.015 0.000 0.272 262 I C 1.030 177.155 176.117 0.013 0.000 1.268 262 I CA 0.904 62.244 61.300 0.067 0.000 1.467 262 I CB -0.365 37.665 38.000 0.050 0.000 1.087 262 I HN 0.117 nan 8.210 nan 0.000 0.467 263 G N -0.323 108.467 108.800 -0.016 0.000 2.362 263 G HA2 0.448 4.417 3.960 0.015 0.000 0.288 263 G HA3 0.448 4.417 3.960 0.015 0.000 0.288 263 G C -0.663 174.099 174.900 -0.229 0.000 1.305 263 G CA -0.285 44.744 45.100 -0.117 0.000 0.910 263 G HN 0.880 nan 8.290 nan 0.000 0.518 264 G N -1.187 107.232 108.800 -0.636 0.000 2.356 264 G HA2 0.647 4.616 3.960 0.015 0.000 0.300 264 G HA3 0.647 4.616 3.960 0.015 0.000 0.300 264 G C -3.462 170.750 174.900 -1.148 0.000 1.331 264 G CA 0.221 44.828 45.100 -0.822 0.000 0.905 264 G HN 0.934 nan 8.290 nan 0.000 0.587 265 P HA 0.448 nan 4.420 nan 0.000 0.271 265 P C -0.459 176.716 177.300 -0.209 0.000 1.216 265 P CA -0.063 62.849 63.100 -0.314 0.000 0.776 265 P CB 0.976 32.642 31.700 -0.056 0.000 0.881 266 L N 2.735 123.886 121.223 -0.121 0.000 2.296 266 L HA 0.447 4.795 4.340 0.015 0.000 0.286 266 L C 0.600 177.465 176.870 -0.007 0.000 1.023 266 L CA -0.212 54.596 54.840 -0.052 0.000 0.812 266 L CB 1.391 43.457 42.059 0.011 0.000 1.223 266 L HN 0.264 nan 8.230 nan 0.000 0.421 267 T N 1.516 116.049 114.554 -0.035 0.000 2.829 267 T HA 0.346 4.705 4.350 0.015 0.000 0.280 267 T C -0.163 174.521 174.700 -0.028 0.000 0.999 267 T CA -0.832 61.254 62.100 -0.023 0.000 0.983 267 T CB 1.505 70.346 68.868 -0.044 0.000 0.968 267 T HN 0.645 nan 8.240 nan 0.000 0.446 268 N N 0.552 119.253 118.700 0.001 0.000 2.405 268 N HA 0.137 4.886 4.740 0.015 0.000 0.269 268 N C 1.468 176.970 175.510 -0.013 0.000 1.249 268 N CA -0.328 52.723 53.050 0.003 0.000 0.974 268 N CB 0.174 38.675 38.487 0.023 0.000 1.204 268 N HN 0.472 nan 8.380 nan 0.000 0.565 269 S N -0.782 114.918 115.700 0.001 0.000 2.442 269 S HA -0.126 4.353 4.470 0.015 0.000 0.236 269 S C 0.958 175.556 174.600 -0.004 0.000 1.007 269 S CA 0.785 58.988 58.200 0.004 0.000 0.965 269 S CB -0.447 62.768 63.200 0.026 0.000 0.773 269 S HN 0.645 nan 8.310 nan 0.000 0.504 270 K N 0.651 121.050 120.400 -0.002 0.000 2.458 270 K HA 0.286 4.615 4.320 0.015 0.000 0.194 270 K C 1.185 177.779 176.600 -0.011 0.000 1.024 270 K CA 0.336 56.620 56.287 -0.005 0.000 1.108 270 K CB -0.124 32.377 32.500 0.002 0.000 0.846 270 K HN 0.542 nan 8.250 nan 0.000 0.518 271 G N 1.827 110.616 108.800 -0.017 0.000 2.143 271 G HA2 -0.303 3.666 3.960 0.015 0.000 0.249 271 G HA3 -0.303 3.666 3.960 0.015 0.000 0.249 271 G C -0.255 174.641 174.900 -0.007 0.000 0.981 271 G CA -0.019 45.068 45.100 -0.022 0.000 0.665 271 G HN 0.378 nan 8.290 nan 0.000 0.528 272 Q N -0.060 119.743 119.800 0.004 0.000 2.259 272 Q HA 0.404 4.753 4.340 0.015 0.000 0.249 272 Q C 0.264 176.281 176.000 0.029 0.000 0.914 272 Q CA -0.762 55.052 55.803 0.018 0.000 0.904 272 Q CB 0.778 29.530 28.738 0.024 0.000 1.213 272 Q HN 0.215 nan 8.270 nan 0.000 0.428 273 N N 1.072 119.794 118.700 0.037 0.000 2.434 273 N HA -0.053 4.696 4.740 0.015 0.000 0.268 273 N C -0.332 175.227 175.510 0.082 0.000 1.256 273 N CA 0.119 53.200 53.050 0.052 0.000 0.914 273 N CB 0.512 39.031 38.487 0.053 0.000 1.088 273 N HN 0.657 nan 8.380 nan 0.000 0.478 274 C N 2.264 121.625 119.300 0.102 0.000 2.700 274 C HA 0.595 5.064 4.460 0.015 0.000 0.297 274 C C 1.057 176.197 174.990 0.250 0.000 1.293 274 C CA 0.915 60.040 59.018 0.178 0.000 1.756 274 C CB -1.111 26.742 27.740 0.190 0.000 2.210 274 C HN 0.877 nan 8.230 nan 0.000 0.553 275 G N -1.591 107.290 108.800 0.134 0.000 2.351 275 G HA2 0.309 4.278 3.960 0.015 0.000 0.279 275 G HA3 0.309 4.278 3.960 0.015 0.000 0.279 275 G C -2.187 172.719 174.900 0.011 0.000 1.297 275 G CA -0.292 44.836 45.100 0.045 0.000 0.886 275 G HN 0.139 nan 8.290 nan 0.000 0.493 276 Y N 0.490 120.652 120.300 -0.229 0.000 2.457 276 Y HA 0.744 5.305 4.550 0.019 0.000 0.343 276 Y C 0.028 175.781 175.900 -0.245 0.000 0.994 276 Y CA -0.865 57.126 58.100 -0.181 0.000 1.031 276 Y CB 2.019 40.391 38.460 -0.145 0.000 1.246 276 Y HN 0.697 nan 8.280 nan 0.000 0.449 277 R N 4.754 125.029 120.500 -0.376 0.000 2.460 277 R HA 0.566 4.915 4.340 0.015 0.000 0.303 277 R C -0.778 175.343 176.300 -0.297 0.000 0.968 277 R CA -0.600 55.256 56.100 -0.407 0.000 0.889 277 R CB 0.919 31.034 30.300 -0.310 0.000 1.123 277 R HN 0.900 nan 8.270 nan 0.000 0.455 278 R N 3.465 123.753 120.500 -0.353 0.000 2.698 278 R HA 0.224 4.573 4.340 0.015 0.000 0.422 278 R C -0.701 175.454 176.300 -0.242 0.000 1.073 278 R CA -0.333 55.652 56.100 -0.191 0.000 1.054 278 R CB 0.429 30.665 30.300 -0.107 0.000 1.373 278 R HN 0.809 nan 8.270 nan 0.000 0.593 279 C N -2.197 116.921 119.300 -0.303 0.000 3.275 279 C HA 0.597 5.066 4.460 0.015 0.000 0.373 279 C C -0.450 174.472 174.990 -0.114 0.000 1.934 279 C CA -1.455 57.430 59.018 -0.222 0.000 1.228 279 C CB 1.105 28.655 27.740 -0.317 0.000 2.317 279 C HN 0.339 nan 8.230 nan 0.000 0.437 280 R N 1.237 121.720 120.500 -0.028 0.000 2.449 280 R HA 0.523 4.872 4.340 0.015 0.000 0.296 280 R C 0.089 176.443 176.300 0.090 0.000 1.047 280 R CA 0.835 56.972 56.100 0.061 0.000 1.018 280 R CB -0.018 30.358 30.300 0.127 0.000 0.962 280 R HN 1.166 nan 8.270 nan 0.000 0.428 281 A N 3.435 126.323 122.820 0.112 0.000 2.366 281 A HA 0.229 4.558 4.320 0.015 0.000 0.272 281 A C 1.102 178.788 177.584 0.169 0.000 1.135 281 A CA 0.128 52.255 52.037 0.150 0.000 0.804 281 A CB 0.487 19.581 19.000 0.156 0.000 1.064 281 A HN 1.030 nan 8.150 nan 0.000 0.499 282 S N 2.204 118.019 115.700 0.191 0.000 2.428 282 S HA 0.029 4.508 4.470 0.015 0.000 0.230 282 S C 1.146 175.848 174.600 0.170 0.000 1.014 282 S CA 0.987 59.295 58.200 0.180 0.000 0.957 282 S CB -0.133 63.180 63.200 0.188 0.000 0.784 282 S HN 1.323 nan 8.310 nan 0.000 0.499 283 G N 2.034 110.959 108.800 0.208 0.000 4.486 283 G HA2 0.531 4.500 3.960 0.015 0.000 0.306 283 G HA3 0.531 4.500 3.960 0.015 0.000 0.306 283 G C -0.186 174.845 174.900 0.218 0.000 1.331 283 G CA -0.042 45.185 45.100 0.212 0.000 1.113 283 G HN 0.671 nan 8.290 nan 0.000 0.594 284 V N -2.417 117.608 119.914 0.185 0.000 3.074 284 V HA 0.577 4.706 4.120 0.015 0.000 0.314 284 V C 1.260 177.433 176.094 0.133 0.000 1.117 284 V CA -0.974 61.450 62.300 0.206 0.000 1.014 284 V CB 1.709 33.725 31.823 0.321 0.000 1.057 284 V HN 0.063 nan 8.190 nan 0.000 0.438 285 L N 2.223 123.537 121.223 0.152 0.000 2.131 285 L HA -0.015 4.334 4.340 0.015 0.000 0.210 285 L C 2.226 179.104 176.870 0.012 0.000 1.092 285 L CA 3.002 57.910 54.840 0.114 0.000 0.759 285 L CB -0.710 41.447 42.059 0.162 0.000 0.903 285 L HN 1.094 nan 8.230 nan 0.000 0.435 286 T N -6.318 108.161 114.554 -0.124 0.000 3.107 286 T HA 0.025 4.384 4.350 0.015 0.000 0.249 286 T C 1.551 176.189 174.700 -0.103 0.000 1.096 286 T CA 0.670 62.652 62.100 -0.197 0.000 1.012 286 T CB -0.544 68.046 68.868 -0.462 0.000 0.977 286 T HN 0.210 nan 8.240 nan 0.000 0.527 287 T N 1.865 116.391 114.554 -0.047 0.000 2.746 287 T HA -0.113 4.246 4.350 0.015 0.000 0.267 287 T C 2.222 176.940 174.700 0.030 0.000 1.039 287 T CA 1.652 63.764 62.100 0.018 0.000 1.142 287 T CB -0.496 68.410 68.868 0.063 0.000 0.866 287 T HN 0.539 nan 8.240 nan 0.000 0.444 288 S N -0.155 115.535 115.700 -0.016 0.000 2.345 288 S HA -0.135 4.344 4.470 0.015 0.000 0.219 288 S C 2.457 177.059 174.600 0.002 0.000 1.031 288 S CA 1.335 59.508 58.200 -0.045 0.000 0.984 288 S CB -0.939 62.128 63.200 -0.222 0.000 0.874 288 S HN 0.665 nan 8.310 nan 0.000 0.451 289 C N 1.363 120.639 119.300 -0.038 0.000 2.413 289 C HA 0.071 4.540 4.460 0.015 0.000 0.277 289 C C 2.879 177.908 174.990 0.064 0.000 1.228 289 C CA 1.289 60.304 59.018 -0.003 0.000 1.731 289 C CB -1.792 25.921 27.740 -0.046 0.000 2.042 289 C HN 0.710 nan 8.230 nan 0.000 0.468 290 G N 0.310 109.163 108.800 0.088 0.000 2.422 290 G HA2 -0.206 3.763 3.960 0.015 0.000 0.218 290 G HA3 -0.206 3.763 3.960 0.015 0.000 0.218 290 G C 1.521 176.498 174.900 0.129 0.000 1.146 290 G CA 1.042 46.197 45.100 0.092 0.000 0.769 290 G HN 0.620 nan 8.290 nan 0.000 0.547 291 N N 0.445 119.232 118.700 0.145 0.000 2.142 291 N HA -0.074 4.675 4.740 0.015 0.000 0.186 291 N C 2.449 178.016 175.510 0.095 0.000 1.023 291 N CA 1.579 54.741 53.050 0.186 0.000 0.852 291 N CB -0.748 37.775 38.487 0.061 0.000 0.998 291 N HN 0.228 nan 8.380 nan 0.000 0.424 292 T N 2.101 116.715 114.554 0.100 0.000 2.652 292 T HA -0.065 4.294 4.350 0.015 0.000 0.267 292 T C 2.155 176.939 174.700 0.140 0.000 1.039 292 T CA 0.847 63.028 62.100 0.135 0.000 1.153 292 T CB -0.432 68.589 68.868 0.256 0.000 0.863 292 T HN 0.136 nan 8.240 nan 0.000 0.428 293 L N 0.615 121.890 121.223 0.086 0.000 2.042 293 L HA -0.150 4.199 4.340 0.015 0.000 0.210 293 L C 2.936 179.890 176.870 0.139 0.000 1.076 293 L CA 1.349 56.221 54.840 0.053 0.000 0.749 293 L CB -1.051 40.990 42.059 -0.030 0.000 0.893 293 L HN 0.306 nan 8.230 nan 0.000 0.432 294 T N -1.583 113.079 114.554 0.181 0.000 2.812 294 T HA -0.198 4.161 4.350 0.015 0.000 0.264 294 T C 2.003 176.895 174.700 0.321 0.000 1.042 294 T CA 1.319 63.560 62.100 0.234 0.000 1.140 294 T CB -0.391 68.650 68.868 0.289 0.000 0.870 294 T HN 0.463 nan 8.240 nan 0.000 0.445 295 C N 0.710 120.248 119.300 0.396 0.000 2.453 295 C HA -0.068 4.401 4.460 0.015 0.000 0.277 295 C C 2.384 177.530 174.990 0.261 0.000 1.262 295 C CA 0.443 59.682 59.018 0.369 0.000 1.718 295 C CB -1.409 26.428 27.740 0.162 0.000 2.031 295 C HN 0.654 nan 8.230 nan 0.000 0.480 296 Y N 1.051 121.414 120.300 0.105 0.000 2.165 296 Y HA -0.153 4.405 4.550 0.014 0.000 0.286 296 Y C 2.173 178.094 175.900 0.035 0.000 1.155 296 Y CA 2.176 60.317 58.100 0.067 0.000 1.164 296 Y CB -0.475 38.007 38.460 0.037 0.000 0.978 296 Y HN 0.360 nan 8.280 nan 0.000 0.513 297 L N 0.983 122.311 121.223 0.175 0.000 2.005 297 L HA -0.146 4.203 4.340 0.015 0.000 0.207 297 L C 2.101 178.897 176.870 -0.123 0.000 1.072 297 L CA 1.931 56.760 54.840 -0.019 0.000 0.744 297 L CB -0.940 41.065 42.059 -0.091 0.000 0.895 297 L HN 0.123 nan 8.230 nan 0.000 0.433 298 K N -0.196 120.194 120.400 -0.017 0.000 2.026 298 K HA -0.115 4.214 4.320 0.015 0.000 0.208 298 K C 2.084 178.719 176.600 0.058 0.000 1.048 298 K CA 1.492 57.776 56.287 -0.005 0.000 0.929 298 K CB -0.492 32.103 32.500 0.158 0.000 0.713 298 K HN 0.500 nan 8.250 nan 0.000 0.439 299 A N 1.128 123.983 122.820 0.059 0.000 1.873 299 A HA -0.136 4.193 4.320 0.015 0.000 0.215 299 A C 2.276 179.906 177.584 0.078 0.000 1.186 299 A CA 1.967 54.072 52.037 0.112 0.000 0.616 299 A CB -1.009 18.113 19.000 0.204 0.000 0.823 299 A HN 0.259 nan 8.150 nan 0.000 0.442 300 T N 0.523 114.990 114.554 -0.145 0.000 2.720 300 T HA -0.095 4.264 4.350 0.015 0.000 0.268 300 T C 2.175 176.833 174.700 -0.069 0.000 1.037 300 T CA 1.763 63.739 62.100 -0.207 0.000 1.144 300 T CB -0.457 68.121 68.868 -0.483 0.000 0.864 300 T HN 0.598 nan 8.240 nan 0.000 0.444 301 A N 1.304 124.104 122.820 -0.034 0.000 1.898 301 A HA 0.257 4.585 4.320 0.015 0.000 0.216 301 A C 2.648 180.310 177.584 0.129 0.000 1.181 301 A CA 1.648 53.725 52.037 0.066 0.000 0.620 301 A CB -1.035 18.025 19.000 0.101 0.000 0.819 301 A HN 0.504 nan 8.150 nan 0.000 0.442 302 A N -0.969 121.951 122.820 0.167 0.000 1.933 302 A HA -0.159 4.170 4.320 0.015 0.000 0.218 302 A C 2.250 179.900 177.584 0.110 0.000 1.175 302 A CA 1.596 53.621 52.037 -0.020 0.000 0.628 302 A CB -1.273 17.404 19.000 -0.539 0.000 0.814 302 A HN 0.588 nan 8.150 nan 0.000 0.444 303 C N -0.856 118.599 119.300 0.259 0.000 2.413 303 C HA -0.117 4.352 4.460 0.015 0.000 0.277 303 C C 2.901 177.917 174.990 0.043 0.000 1.265 303 C CA 1.239 60.405 59.018 0.247 0.000 1.752 303 C CB -1.306 26.523 27.740 0.149 0.000 1.998 303 C HN 0.610 nan 8.230 nan 0.000 0.489 304 R N 0.879 121.319 120.500 -0.100 0.000 2.073 304 R HA -0.031 4.317 4.340 0.015 0.000 0.229 304 R C 2.448 178.533 176.300 -0.358 0.000 1.120 304 R CA 1.435 57.353 56.100 -0.304 0.000 0.967 304 R CB -0.542 29.413 30.300 -0.576 0.000 0.862 304 R HN 0.513 nan 8.270 nan 0.000 0.436 305 A N 1.392 124.031 122.820 -0.301 0.000 1.940 305 A HA -0.120 4.209 4.320 0.015 0.000 0.219 305 A C 2.291 179.871 177.584 -0.007 0.000 1.176 305 A CA 1.787 53.791 52.037 -0.055 0.000 0.631 305 A CB -0.505 18.520 19.000 0.042 0.000 0.814 305 A HN 0.400 nan 8.150 nan 0.000 0.446 306 A N -1.534 121.295 122.820 0.015 0.000 2.119 306 A HA 0.185 4.514 4.320 0.015 0.000 0.216 306 A C 1.118 178.723 177.584 0.035 0.000 1.152 306 A CA 1.045 53.116 52.037 0.056 0.000 0.708 306 A CB -0.309 18.788 19.000 0.162 0.000 0.805 306 A HN 0.502 nan 8.150 nan 0.000 0.460 307 K N -1.642 118.766 120.400 0.012 0.000 3.161 307 K HA -0.135 4.194 4.320 0.015 0.000 0.270 307 K C -0.999 175.610 176.600 0.015 0.000 1.115 307 K CA 0.169 56.461 56.287 0.007 0.000 0.789 307 K CB -1.814 30.694 32.500 0.013 0.000 1.256 307 K HN 0.301 nan 8.250 nan 0.000 0.492 308 L N 1.726 122.965 121.223 0.026 0.000 2.380 308 L HA 0.102 4.451 4.340 0.015 0.000 0.273 308 L C 0.838 177.711 176.870 0.005 0.000 1.138 308 L CA 0.610 55.464 54.840 0.023 0.000 0.832 308 L CB 0.888 42.975 42.059 0.047 0.000 1.124 308 L HN 0.083 nan 8.230 nan 0.000 0.454 309 Q N 2.252 122.049 119.800 -0.005 0.000 2.256 309 Q HA 0.139 4.488 4.340 0.015 0.000 0.254 309 Q C -0.161 175.821 176.000 -0.030 0.000 0.916 309 Q CA -0.447 55.346 55.803 -0.016 0.000 0.932 309 Q CB 0.709 29.435 28.738 -0.019 0.000 1.207 309 Q HN 0.525 nan 8.270 nan 0.000 0.426 310 D N 0.809 121.192 120.400 -0.029 0.000 2.735 310 D HA -0.181 4.468 4.640 0.015 0.000 0.235 310 D C -1.132 175.139 176.300 -0.048 0.000 1.175 310 D CA 0.240 54.218 54.000 -0.037 0.000 0.683 310 D CB -0.828 39.943 40.800 -0.049 0.000 1.008 310 D HN 0.521 nan 8.370 nan 0.000 0.416 311 C N 1.199 120.476 119.300 -0.037 0.000 2.585 311 C HA 0.542 5.011 4.460 0.015 0.000 0.406 311 C C 0.865 175.832 174.990 -0.037 0.000 1.312 311 C CA -0.233 58.756 59.018 -0.049 0.000 1.924 311 C CB 0.691 28.408 27.740 -0.039 0.000 2.578 311 C HN 0.475 nan 8.230 nan 0.000 0.580 312 T N 5.719 120.242 114.554 -0.052 0.000 2.809 312 T HA 0.515 4.874 4.350 0.015 0.000 0.284 312 T C -0.339 174.367 174.700 0.010 0.000 0.992 312 T CA -0.246 61.855 62.100 0.002 0.000 0.957 312 T CB 0.857 69.700 68.868 -0.042 0.000 0.942 312 T HN 0.535 nan 8.240 nan 0.000 0.439 313 M N 3.026 122.675 119.600 0.082 0.000 2.578 313 M HA 0.663 5.152 4.480 0.015 0.000 0.321 313 M C -1.277 175.128 176.300 0.176 0.000 1.182 313 M CA -1.184 54.154 55.300 0.063 0.000 0.965 313 M CB 2.026 34.639 32.600 0.022 0.000 1.694 313 M HN 0.316 nan 8.290 nan 0.000 0.461 314 L N 2.473 123.761 121.223 0.109 0.000 2.404 314 L HA 0.642 4.991 4.340 0.015 0.000 0.272 314 L C -1.500 175.373 176.870 0.005 0.000 0.980 314 L CA -0.474 54.419 54.840 0.088 0.000 0.836 314 L CB 1.800 43.929 42.059 0.117 0.000 1.238 314 L HN 0.490 nan 8.230 nan 0.000 0.408 315 V N 3.998 123.904 119.914 -0.014 0.000 2.540 315 V HA 0.622 4.751 4.120 0.015 0.000 0.302 315 V C -0.738 175.220 176.094 -0.226 0.000 1.035 315 V CA -0.650 61.630 62.300 -0.033 0.000 0.873 315 V CB 1.923 33.820 31.823 0.124 0.000 0.992 315 V HN 0.788 nan 8.190 nan 0.000 0.428 316 N N 3.445 121.965 118.700 -0.299 0.000 2.617 316 N HA 0.620 5.369 4.740 0.015 0.000 0.263 316 N C 0.557 176.002 175.510 -0.108 0.000 1.074 316 N CA 0.499 53.197 53.050 -0.587 0.000 0.841 316 N CB 1.737 39.664 38.487 -0.934 0.000 1.221 316 N HN 1.090 nan 8.380 nan 0.000 0.529 317 G N 2.440 111.326 108.800 0.144 0.000 2.596 317 G HA2 -0.403 3.566 3.960 0.015 0.000 0.304 317 G HA3 -0.403 3.566 3.960 0.015 0.000 0.304 317 G C 0.512 175.277 174.900 -0.224 0.000 1.189 317 G CA 0.814 45.941 45.100 0.045 0.000 0.986 317 G HN 0.619 nan 8.290 nan 0.000 0.548 318 D N 1.162 121.345 120.400 -0.362 0.000 2.340 318 D HA 0.113 4.762 4.640 0.015 0.000 0.220 318 D C 0.300 176.471 176.300 -0.214 0.000 1.039 318 D CA 0.612 54.212 54.000 -0.666 0.000 0.866 318 D CB -0.100 40.283 40.800 -0.693 0.000 0.913 318 D HN 0.403 nan 8.370 nan 0.000 0.523 319 D N 0.702 121.037 120.400 -0.109 0.000 2.295 319 D HA 0.302 4.951 4.640 0.015 0.000 0.248 319 D C -0.852 175.438 176.300 -0.018 0.000 1.154 319 D CA -0.426 53.555 54.000 -0.033 0.000 0.857 319 D CB 1.402 42.177 40.800 -0.042 0.000 1.117 319 D HN 0.084 nan 8.370 nan 0.000 0.468 320 L N 4.803 126.058 121.223 0.053 0.000 2.409 320 L HA 0.472 4.821 4.340 0.015 0.000 0.272 320 L C -1.640 175.244 176.870 0.023 0.000 0.980 320 L CA -0.687 54.192 54.840 0.065 0.000 0.826 320 L CB 1.926 44.091 42.059 0.177 0.000 1.268 320 L HN 0.100 nan 8.230 nan 0.000 0.407 321 V N 6.028 125.908 119.914 -0.056 0.000 2.680 321 V HA 0.813 4.942 4.120 0.015 0.000 0.309 321 V C -1.331 174.599 176.094 -0.274 0.000 1.052 321 V CA -0.354 61.850 62.300 -0.159 0.000 0.908 321 V CB 2.302 34.062 31.823 -0.105 0.000 1.001 321 V HN 0.607 nan 8.190 nan 0.000 0.431 322 V N 7.598 127.156 119.914 -0.593 0.000 2.540 322 V HA 0.574 4.703 4.120 0.015 0.000 0.302 322 V C -0.327 175.470 176.094 -0.494 0.000 1.035 322 V CA -0.444 61.459 62.300 -0.661 0.000 0.873 322 V CB 1.692 32.777 31.823 -1.231 0.000 0.992 322 V HN 0.758 nan 8.190 nan 0.000 0.428 323 I N 5.013 125.437 120.570 -0.243 0.000 2.406 323 I HA 0.653 4.832 4.170 0.015 0.000 0.290 323 I C 0.053 176.082 176.117 -0.146 0.000 0.999 323 I CA -0.296 60.923 61.300 -0.134 0.000 1.124 323 I CB 1.589 39.564 38.000 -0.042 0.000 1.289 323 I HN 0.888 nan 8.210 nan 0.000 0.441 324 C N 2.691 121.904 119.300 -0.145 0.000 3.308 324 C HA 0.599 5.067 4.460 0.015 0.000 0.360 324 C C -0.492 174.408 174.990 -0.151 0.000 1.695 324 C CA -0.885 58.062 59.018 -0.119 0.000 1.366 324 C CB 1.817 29.523 27.740 -0.056 0.000 2.121 324 C HN 0.605 nan 8.230 nan 0.000 0.442 325 E N 1.715 121.852 120.200 -0.105 0.000 2.200 325 E HA 0.318 4.677 4.350 0.015 0.000 0.283 325 E C -0.172 176.396 176.600 -0.054 0.000 1.015 325 E CA 0.407 56.747 56.400 -0.100 0.000 0.819 325 E CB 1.792 31.447 29.700 -0.075 0.000 1.081 325 E HN 0.698 nan 8.360 nan 0.000 0.397 326 S N 1.735 117.412 115.700 -0.038 0.000 2.562 326 S HA 0.247 4.726 4.470 0.015 0.000 0.281 326 S C 0.627 175.241 174.600 0.024 0.000 1.333 326 S CA 0.122 58.348 58.200 0.043 0.000 1.052 326 S CB 0.652 63.940 63.200 0.147 0.000 0.884 326 S HN 0.554 nan 8.310 nan 0.000 0.506 327 A N 3.337 126.180 122.820 0.038 0.000 2.430 327 A HA 0.651 4.980 4.320 0.015 0.000 0.243 327 A C 0.912 178.507 177.584 0.019 0.000 1.254 327 A CA 0.343 52.391 52.037 0.018 0.000 0.914 327 A CB -0.714 18.295 19.000 0.015 0.000 0.998 327 A HN 1.793 nan 8.150 nan 0.000 0.515 328 G N -2.132 106.689 108.800 0.034 0.000 2.459 328 G HA2 0.048 4.017 3.960 0.015 0.000 0.685 328 G HA3 0.048 4.017 3.960 0.015 0.000 0.685 328 G C 0.328 175.255 174.900 0.044 0.000 1.303 328 G CA -0.121 44.986 45.100 0.011 0.000 0.907 328 G HN 0.200 nan 8.290 nan 0.000 0.632 329 T N -0.009 114.542 114.554 -0.004 0.000 2.708 329 T HA -0.141 4.218 4.350 0.015 0.000 0.266 329 T C 2.363 177.101 174.700 0.063 0.000 1.037 329 T CA 2.463 64.581 62.100 0.030 0.000 1.146 329 T CB -0.190 68.648 68.868 -0.050 0.000 0.865 329 T HN 0.533 nan 8.240 nan 0.000 0.435 330 Q N 0.826 120.643 119.800 0.028 0.000 2.020 330 Q HA -0.092 4.257 4.340 0.015 0.000 0.198 330 Q C 2.480 178.496 176.000 0.027 0.000 0.974 330 Q CA 1.338 57.155 55.803 0.024 0.000 0.829 330 Q CB -0.155 28.589 28.738 0.010 0.000 0.894 330 Q HN 0.580 nan 8.270 nan 0.000 0.433 331 E N 0.301 120.515 120.200 0.025 0.000 2.085 331 E HA -0.221 4.138 4.350 0.015 0.000 0.194 331 E C 1.297 177.913 176.600 0.026 0.000 0.994 331 E CA 1.467 57.880 56.400 0.021 0.000 0.801 331 E CB -0.519 29.192 29.700 0.017 0.000 0.743 331 E HN 0.381 nan 8.360 nan 0.000 0.453 332 D N 1.726 122.157 120.400 0.051 0.000 2.123 332 D HA -0.094 4.555 4.640 0.015 0.000 0.196 332 D C 2.007 178.313 176.300 0.009 0.000 0.992 332 D CA 1.996 56.024 54.000 0.047 0.000 0.833 332 D CB -0.423 40.452 40.800 0.126 0.000 0.954 332 D HN 0.314 nan 8.370 nan 0.000 0.455 333 A N 1.094 123.932 122.820 0.031 0.000 1.883 333 A HA -0.102 4.227 4.320 0.015 0.000 0.217 333 A C 2.340 179.917 177.584 -0.012 0.000 1.186 333 A CA 2.571 54.613 52.037 0.008 0.000 0.624 333 A CB -0.885 18.131 19.000 0.027 0.000 0.822 333 A HN 0.248 nan 8.150 nan 0.000 0.444 334 A N -0.293 122.527 122.820 -0.001 0.000 1.902 334 A HA 0.145 4.474 4.320 0.015 0.000 0.217 334 A C 2.517 180.096 177.584 -0.008 0.000 1.181 334 A CA 2.247 54.283 52.037 -0.003 0.000 0.623 334 A CB -1.031 17.971 19.000 0.003 0.000 0.818 334 A HN 1.093 nan 8.150 nan 0.000 0.443 335 A N -0.687 122.127 122.820 -0.011 0.000 1.898 335 A HA 0.002 4.331 4.320 0.015 0.000 0.216 335 A C 2.107 179.673 177.584 -0.030 0.000 1.181 335 A CA 1.672 53.705 52.037 -0.008 0.000 0.620 335 A CB -0.604 18.394 19.000 -0.003 0.000 0.819 335 A HN 0.626 nan 8.150 nan 0.000 0.442 336 L N 0.061 121.217 121.223 -0.112 0.000 2.046 336 L HA -0.139 4.210 4.340 0.015 0.000 0.208 336 L C 2.437 179.265 176.870 -0.070 0.000 1.077 336 L CA 1.876 56.570 54.840 -0.243 0.000 0.747 336 L CB -0.618 41.212 42.059 -0.381 0.000 0.896 336 L HN 0.352 nan 8.230 nan 0.000 0.432 337 R N -0.781 119.699 120.500 -0.033 0.000 2.081 337 R HA -0.092 4.257 4.340 0.015 0.000 0.235 337 R C 2.228 178.537 176.300 0.015 0.000 1.131 337 R CA 1.232 57.334 56.100 0.004 0.000 0.960 337 R CB -0.648 29.650 30.300 -0.003 0.000 0.856 337 R HN 0.505 nan 8.270 nan 0.000 0.436 338 A N 0.965 123.793 122.820 0.013 0.000 1.933 338 A HA -0.208 4.121 4.320 0.015 0.000 0.218 338 A C 1.964 179.554 177.584 0.009 0.000 1.175 338 A CA 1.182 53.222 52.037 0.005 0.000 0.628 338 A CB -0.666 18.341 19.000 0.012 0.000 0.814 338 A HN 0.399 nan 8.150 nan 0.000 0.444 339 F N 1.306 121.190 119.950 -0.109 0.000 2.126 339 F HA -0.177 4.360 4.527 0.016 0.000 0.299 339 F C 2.401 178.116 175.800 -0.141 0.000 1.096 339 F CA 2.323 60.247 58.000 -0.127 0.000 1.255 339 F CB -0.534 38.364 39.000 -0.169 0.000 0.997 339 F HN 0.199 nan 8.300 nan 0.000 0.479 340 T N 0.294 114.868 114.554 0.033 0.000 2.777 340 T HA -0.144 4.215 4.350 0.015 0.000 0.266 340 T C 1.716 176.364 174.700 -0.086 0.000 1.040 340 T CA 1.450 63.565 62.100 0.025 0.000 1.141 340 T CB -0.233 68.751 68.868 0.194 0.000 0.868 340 T HN 0.250 nan 8.240 nan 0.000 0.444 341 E N 1.426 121.572 120.200 -0.090 0.000 2.110 341 E HA -0.038 4.321 4.350 0.015 0.000 0.193 341 E C 2.498 178.959 176.600 -0.232 0.000 0.988 341 E CA 1.104 57.432 56.400 -0.120 0.000 0.804 341 E CB -0.529 29.120 29.700 -0.086 0.000 0.745 341 E HN 0.526 nan 8.360 nan 0.000 0.458 342 A N 1.275 123.903 122.820 -0.319 0.000 1.873 342 A HA -0.135 4.194 4.320 0.015 0.000 0.215 342 A C 2.222 179.378 177.584 -0.713 0.000 1.186 342 A CA 1.364 53.086 52.037 -0.526 0.000 0.616 342 A CB -0.334 18.408 19.000 -0.430 0.000 0.823 342 A HN 0.106 nan 8.150 nan 0.000 0.442 343 M N -0.208 119.069 119.600 -0.538 0.000 2.159 343 M HA -0.108 4.381 4.480 0.015 0.000 0.263 343 M C 2.153 178.371 176.300 -0.137 0.000 1.063 343 M CA 1.945 57.054 55.300 -0.317 0.000 1.110 343 M CB -1.830 30.495 32.600 -0.457 0.000 1.374 343 M HN 0.453 nan 8.290 nan 0.000 0.411 344 T N 0.116 114.588 114.554 -0.137 0.000 2.746 344 T HA -0.111 4.248 4.350 0.015 0.000 0.267 344 T C 1.972 176.611 174.700 -0.102 0.000 1.039 344 T CA 1.132 63.193 62.100 -0.065 0.000 1.142 344 T CB -0.206 68.633 68.868 -0.048 0.000 0.866 344 T HN 0.382 nan 8.240 nan 0.000 0.444 345 R N 0.080 120.451 120.500 -0.214 0.000 2.105 345 R HA -0.053 4.296 4.340 0.015 0.000 0.239 345 R C 1.973 178.201 176.300 -0.119 0.000 1.135 345 R CA 1.351 57.325 56.100 -0.210 0.000 0.967 345 R CB -0.393 29.722 30.300 -0.308 0.000 0.861 345 R HN 0.567 nan 8.270 nan 0.000 0.442 346 Y N 0.212 120.463 120.300 -0.080 0.000 2.578 346 Y HA -0.122 4.436 4.550 0.014 0.000 0.297 346 Y C 1.345 177.207 175.900 -0.065 0.000 1.176 346 Y CA 0.207 58.253 58.100 -0.089 0.000 1.315 346 Y CB 0.241 38.675 38.460 -0.043 0.000 1.031 346 Y HN 0.248 nan 8.280 nan 0.000 0.524 347 S N -1.540 114.206 115.700 0.077 0.000 2.417 347 S HA -0.190 4.289 4.470 0.015 0.000 0.260 347 S C 0.067 174.699 174.600 0.053 0.000 1.333 347 S CA 0.231 58.461 58.200 0.050 0.000 1.219 347 S CB -1.872 61.347 63.200 0.032 0.000 1.510 347 S HN 0.530 nan 8.310 nan 0.000 0.656 348 A N 2.224 125.093 122.820 0.082 0.000 3.158 348 A HA 0.698 5.027 4.320 0.015 0.000 0.319 348 A C -1.891 175.822 177.584 0.215 0.000 1.204 348 A CA -1.273 50.844 52.037 0.132 0.000 0.992 348 A CB 0.331 19.449 19.000 0.196 0.000 1.110 348 A HN 0.520 nan 8.150 nan 0.000 0.519 349 P HA 0.300 nan 4.420 nan 0.000 0.274 349 P C -2.948 174.414 177.300 0.104 0.000 1.246 349 P CA -1.283 61.887 63.100 0.117 0.000 0.795 349 P CB 0.517 32.224 31.700 0.012 0.000 1.006 350 P HA 0.154 nan 4.420 nan 0.000 0.284 350 P C 0.696 177.931 177.300 -0.108 0.000 1.258 350 P CA -0.098 62.897 63.100 -0.175 0.000 0.824 350 P CB 1.022 32.598 31.700 -0.207 0.000 1.038 351 G N 1.641 110.369 108.800 -0.120 0.000 2.607 351 G HA2 -0.026 3.943 3.960 0.015 0.000 0.215 351 G HA3 -0.026 3.943 3.960 0.015 0.000 0.215 351 G C -0.141 174.717 174.900 -0.069 0.000 1.275 351 G CA 0.241 45.299 45.100 -0.070 0.000 0.842 351 G HN 0.472 nan 8.290 nan 0.000 0.555 352 D N 2.055 122.411 120.400 -0.074 0.000 2.308 352 D HA 0.359 5.008 4.640 0.015 0.000 0.251 352 D C -2.337 173.925 176.300 -0.064 0.000 1.127 352 D CA -1.124 52.844 54.000 -0.054 0.000 0.876 352 D CB 1.253 42.030 40.800 -0.038 0.000 1.176 352 D HN 0.015 nan 8.370 nan 0.000 0.446 353 P HA 0.134 nan 4.420 nan 0.000 0.268 353 P C -2.288 175.016 177.300 0.007 0.000 1.204 353 P CA -0.915 62.181 63.100 -0.007 0.000 0.768 353 P CB -0.106 31.597 31.700 0.004 0.000 0.842 354 P HA 0.104 nan 4.420 nan 0.000 0.269 354 P C -0.735 176.573 177.300 0.013 0.000 1.215 354 P CA 0.116 63.257 63.100 0.068 0.000 0.780 354 P CB 0.531 32.316 31.700 0.141 0.000 0.898 355 Q N 1.772 121.594 119.800 0.035 0.000 2.304 355 Q HA 0.459 4.808 4.340 0.015 0.000 0.270 355 Q C -2.581 173.433 176.000 0.024 0.000 1.035 355 Q CA -2.235 53.580 55.803 0.020 0.000 0.781 355 Q CB 1.485 30.244 28.738 0.035 0.000 1.261 355 Q HN 0.249 nan 8.270 nan 0.000 0.444 356 P HA 0.183 nan 4.420 nan 0.000 0.268 356 P C -0.877 176.346 177.300 -0.128 0.000 1.205 356 P CA -0.229 62.822 63.100 -0.083 0.000 0.771 356 P CB 0.802 32.444 31.700 -0.097 0.000 0.858 357 E N 1.259 121.331 120.200 -0.212 0.000 2.248 357 E HA 0.345 4.704 4.350 0.015 0.000 0.267 357 E C -1.075 175.409 176.600 -0.195 0.000 0.877 357 E CA -0.491 55.841 56.400 -0.113 0.000 0.759 357 E CB 0.850 30.551 29.700 0.001 0.000 1.182 357 E HN 0.339 nan 8.360 nan 0.000 0.418 358 Y N 1.033 121.478 120.300 0.241 0.000 2.531 358 Y HA 0.301 4.860 4.550 0.015 0.000 0.249 358 Y C -0.082 176.093 175.900 0.457 0.000 1.168 358 Y CA -0.417 57.883 58.100 0.333 0.000 1.226 358 Y CB 1.093 39.655 38.460 0.170 0.000 1.177 358 Y HN 0.307 nan 8.280 nan 0.000 0.527 359 D N 0.073 120.658 120.400 0.308 0.000 2.575 359 D HA 0.104 4.753 4.640 0.015 0.000 0.250 359 D C 0.651 176.668 176.300 -0.472 0.000 1.279 359 D CA -0.403 53.618 54.000 0.036 0.000 0.925 359 D CB 1.402 42.229 40.800 0.045 0.000 1.261 359 D HN 0.044 nan 8.370 nan 0.000 0.567 360 L N 4.029 124.511 121.223 -1.235 0.000 2.103 360 L HA -0.192 4.157 4.340 0.015 0.000 0.215 360 L C 1.589 178.099 176.870 -0.600 0.000 1.080 360 L CA 2.061 56.082 54.840 -1.366 0.000 0.764 360 L CB -0.267 40.878 42.059 -1.524 0.000 0.890 360 L HN 0.578 nan 8.230 nan 0.000 0.435 361 E N -1.335 118.634 120.200 -0.384 0.000 2.274 361 E HA -0.147 4.212 4.350 0.015 0.000 0.194 361 E C 1.710 178.215 176.600 -0.157 0.000 0.996 361 E CA 0.494 56.763 56.400 -0.218 0.000 0.840 361 E CB -0.058 29.562 29.700 -0.133 0.000 0.772 361 E HN 0.329 nan 8.360 nan 0.000 0.491 362 L N 0.646 121.780 121.223 -0.150 0.000 2.591 362 L HA 0.124 4.472 4.340 0.015 0.000 0.228 362 L C 0.603 177.423 176.870 -0.083 0.000 1.133 362 L CA 0.525 55.314 54.840 -0.084 0.000 0.880 362 L CB -0.116 41.920 42.059 -0.039 0.000 1.033 362 L HN 0.010 nan 8.230 nan 0.000 0.450 363 I N -0.380 120.109 120.570 -0.134 0.000 2.325 363 I HA 0.120 4.298 4.170 0.015 0.000 0.291 363 I C 0.183 176.255 176.117 -0.075 0.000 1.019 363 I CA -0.021 61.220 61.300 -0.099 0.000 1.302 363 I CB 0.921 38.838 38.000 -0.138 0.000 1.401 363 I HN -0.079 nan 8.210 nan 0.000 0.485 364 T N 5.000 119.533 114.554 -0.036 0.000 2.749 364 T HA 0.401 4.760 4.350 0.015 0.000 0.287 364 T C -0.164 174.533 174.700 -0.006 0.000 0.970 364 T CA -0.456 61.634 62.100 -0.017 0.000 0.980 364 T CB 0.982 69.847 68.868 -0.004 0.000 0.924 364 T HN 0.695 nan 8.240 nan 0.000 0.456 365 S N 1.658 117.356 115.700 -0.004 0.000 2.536 365 S HA 0.345 4.824 4.470 0.015 0.000 0.271 365 S C 0.163 174.771 174.600 0.015 0.000 1.134 365 S CA -0.615 57.584 58.200 -0.002 0.000 0.897 365 S CB 0.653 63.837 63.200 -0.028 0.000 1.094 365 S HN 0.920 nan 8.310 nan 0.000 0.473 366 C N 3.195 122.505 119.300 0.016 0.000 4.114 366 C HA -0.150 4.319 4.460 0.015 0.000 0.300 366 C C 1.378 176.427 174.990 0.099 0.000 1.423 366 C CA 0.904 59.949 59.018 0.044 0.000 2.034 366 C CB -3.278 24.475 27.740 0.022 0.000 1.299 366 C HN 1.677 nan 8.230 nan 0.000 0.727 367 S N -1.900 113.849 115.700 0.081 0.000 3.270 367 S HA -0.204 4.275 4.470 0.015 0.000 0.293 367 S C 0.273 174.934 174.600 0.102 0.000 1.278 367 S CA 1.349 59.602 58.200 0.089 0.000 1.038 367 S CB -0.823 62.444 63.200 0.113 0.000 1.218 367 S HN 1.022 nan 8.310 nan 0.000 0.659 368 S N 1.938 117.700 115.700 0.105 0.000 2.570 368 S HA 0.687 5.166 4.470 0.015 0.000 0.286 368 S C -0.378 174.249 174.600 0.044 0.000 1.099 368 S CA -0.993 57.285 58.200 0.129 0.000 0.913 368 S CB 1.646 64.981 63.200 0.225 0.000 1.085 368 S HN 0.551 nan 8.310 nan 0.000 0.480 369 N N -0.070 118.642 118.700 0.020 0.000 2.292 369 N HA 0.468 5.217 4.740 0.015 0.000 0.303 369 N C -1.045 174.406 175.510 -0.097 0.000 1.140 369 N CA -0.605 52.413 53.050 -0.052 0.000 0.788 369 N CB 1.059 39.506 38.487 -0.066 0.000 1.361 369 N HN 0.302 nan 8.380 nan 0.000 0.489 370 V N 0.642 120.468 119.914 -0.147 0.000 2.637 370 V HA 0.258 4.387 4.120 0.015 0.000 0.296 370 V C 0.617 176.583 176.094 -0.214 0.000 1.046 370 V CA 0.171 62.361 62.300 -0.183 0.000 1.066 370 V CB 0.736 32.447 31.823 -0.187 0.000 0.968 370 V HN 0.854 nan 8.190 nan 0.000 0.483 371 S N 2.973 118.458 115.700 -0.360 0.000 2.697 371 S HA 0.837 5.316 4.470 0.015 0.000 0.289 371 S C -1.153 173.303 174.600 -0.241 0.000 1.149 371 S CA -0.518 57.491 58.200 -0.319 0.000 0.850 371 S CB 2.107 65.087 63.200 -0.367 0.000 1.151 371 S HN 0.430 nan 8.310 nan 0.000 0.491 372 V N 1.325 121.197 119.914 -0.070 0.000 2.656 372 V HA 0.945 5.074 4.120 0.015 0.000 0.307 372 V C 0.142 176.179 176.094 -0.094 0.000 1.051 372 V CA -0.292 61.918 62.300 -0.150 0.000 0.893 372 V CB 1.052 32.672 31.823 -0.338 0.000 0.999 372 V HN 1.091 nan 8.190 nan 0.000 0.426 373 A N 3.014 125.654 122.820 -0.299 0.000 2.525 373 A HA 0.973 5.302 4.320 0.015 0.000 0.291 373 A C -1.473 175.655 177.584 -0.760 0.000 1.268 373 A CA -0.559 51.166 52.037 -0.519 0.000 0.712 373 A CB 1.675 20.186 19.000 -0.813 0.000 1.320 373 A HN 0.932 nan 8.150 nan 0.000 0.456 374 H N -0.070 118.660 119.070 -0.566 0.000 2.690 374 H HA 0.510 5.075 4.556 0.015 0.000 0.368 374 H C -0.783 174.211 175.328 -0.557 0.000 1.150 374 H CA -0.366 55.374 56.048 -0.514 0.000 1.174 374 H CB 1.362 30.823 29.762 -0.500 0.000 1.684 374 H HN 0.794 nan 8.280 nan 0.000 0.538 375 D N 0.727 121.034 120.400 -0.155 0.000 2.469 375 D HA 0.256 4.905 4.640 0.015 0.000 0.278 375 D C 1.397 177.805 176.300 0.180 0.000 1.231 375 D CA -0.267 53.716 54.000 -0.028 0.000 1.075 375 D CB 0.097 40.882 40.800 -0.025 0.000 1.121 375 D HN 0.505 nan 8.370 nan 0.000 0.571 376 A N -0.403 122.513 122.820 0.160 0.000 1.948 376 A HA -0.141 4.188 4.320 0.015 0.000 0.220 376 A C 1.898 179.561 177.584 0.132 0.000 1.177 376 A CA 2.432 54.559 52.037 0.150 0.000 0.636 376 A CB -1.058 17.990 19.000 0.080 0.000 0.815 376 A HN 0.610 nan 8.150 nan 0.000 0.449 377 S N -2.302 113.459 115.700 0.101 0.000 2.597 377 S HA 0.436 4.914 4.470 0.015 0.000 0.224 377 S C 1.281 175.930 174.600 0.081 0.000 0.955 377 S CA 0.851 59.094 58.200 0.073 0.000 0.933 377 S CB -0.073 63.154 63.200 0.046 0.000 0.788 377 S HN 1.876 nan 8.310 nan 0.000 0.488 378 G N 1.591 110.469 108.800 0.129 0.000 2.205 378 G HA2 -0.332 3.637 3.960 0.015 0.000 0.261 378 G HA3 -0.332 3.637 3.960 0.015 0.000 0.261 378 G C 0.046 175.018 174.900 0.121 0.000 0.980 378 G CA 0.282 45.446 45.100 0.107 0.000 0.632 378 G HN 0.695 nan 8.290 nan 0.000 0.533 379 K N 1.152 121.592 120.400 0.066 0.000 2.448 379 K HA 0.313 4.642 4.320 0.015 0.000 0.278 379 K C 0.880 177.448 176.600 -0.054 0.000 1.009 379 K CA -0.468 55.833 56.287 0.023 0.000 0.995 379 K CB 0.219 32.720 32.500 0.001 0.000 0.917 379 K HN 0.354 nan 8.250 nan 0.000 0.481 380 R N 2.046 122.471 120.500 -0.125 0.000 2.522 380 R HA 0.084 4.433 4.340 0.015 0.000 0.284 380 R C -0.722 175.362 176.300 -0.360 0.000 1.032 380 R CA -0.193 55.668 56.100 -0.398 0.000 1.049 380 R CB 0.668 30.723 30.300 -0.408 0.000 0.956 380 R HN 0.274 nan 8.270 nan 0.000 0.422 381 V N 4.955 124.599 119.914 -0.449 0.000 2.483 381 V HA 0.226 4.355 4.120 0.015 0.000 0.297 381 V C -0.837 175.096 176.094 -0.270 0.000 1.027 381 V CA -0.865 61.269 62.300 -0.277 0.000 0.855 381 V CB 1.241 32.944 31.823 -0.199 0.000 0.995 381 V HN 0.598 nan 8.190 nan 0.000 0.424 382 Y N 5.485 125.774 120.300 -0.018 0.000 2.319 382 Y HA 0.590 5.149 4.550 0.015 0.000 0.328 382 Y C 0.053 176.023 175.900 0.117 0.000 1.133 382 Y CA 0.027 58.131 58.100 0.007 0.000 1.265 382 Y CB 1.074 39.497 38.460 -0.060 0.000 1.218 382 Y HN 0.747 nan 8.280 nan 0.000 0.508 383 Y N -0.035 120.313 120.300 0.079 0.000 2.638 383 Y HA 0.642 5.201 4.550 0.015 0.000 0.335 383 Y C -2.111 173.839 175.900 0.083 0.000 1.155 383 Y CA -2.069 56.063 58.100 0.055 0.000 1.046 383 Y CB 0.717 39.185 38.460 0.013 0.000 1.303 383 Y HN 0.410 nan 8.280 nan 0.000 0.460 384 L N 2.669 123.933 121.223 0.068 0.000 2.292 384 L HA 0.643 4.992 4.340 0.015 0.000 0.284 384 L C 0.140 177.174 176.870 0.273 0.000 1.065 384 L CA -0.243 54.630 54.840 0.055 0.000 0.806 384 L CB 1.653 43.766 42.059 0.090 0.000 1.175 384 L HN 0.991 nan 8.230 nan 0.000 0.431 385 T N 3.346 118.025 114.554 0.208 0.000 2.778 385 T HA 0.782 5.141 4.350 0.015 0.000 0.293 385 T C -1.194 173.662 174.700 0.259 0.000 1.144 385 T CA -0.638 61.692 62.100 0.383 0.000 1.010 385 T CB 1.804 70.858 68.868 0.310 0.000 1.325 385 T HN 0.796 nan 8.240 nan 0.000 0.515 386 R N 0.595 121.192 120.500 0.163 0.000 2.733 386 R HA 0.487 4.836 4.340 0.015 0.000 0.272 386 R C -1.414 174.747 176.300 -0.232 0.000 1.029 386 R CA -1.016 55.057 56.100 -0.045 0.000 0.888 386 R CB 0.422 30.657 30.300 -0.109 0.000 1.251 386 R HN 0.524 nan 8.270 nan 0.000 0.464 387 D N 1.782 122.044 120.400 -0.230 0.000 2.493 387 D HA 0.028 4.677 4.640 0.015 0.000 0.240 387 D C -1.422 174.539 176.300 -0.565 0.000 1.142 387 D CA -1.052 52.760 54.000 -0.315 0.000 0.872 387 D CB 1.210 41.900 40.800 -0.184 0.000 1.173 387 D HN 0.358 nan 8.370 nan 0.000 0.467 388 P HA 0.041 nan 4.420 nan 0.000 0.261 388 P C 1.134 178.099 177.300 -0.559 0.000 1.268 388 P CA -0.007 62.416 63.100 -1.127 0.000 0.833 388 P CB 0.383 31.214 31.700 -1.448 0.000 1.231 389 T N 0.131 114.481 114.554 -0.340 0.000 2.607 389 T HA -0.145 4.214 4.350 0.015 0.000 0.267 389 T C 1.740 176.365 174.700 -0.125 0.000 1.049 389 T CA 2.540 64.536 62.100 -0.173 0.000 1.162 389 T CB -1.049 67.763 68.868 -0.094 0.000 0.863 389 T HN 0.203 nan 8.240 nan 0.000 0.424 390 T N 2.033 116.516 114.554 -0.118 0.000 2.737 390 T HA -0.035 4.324 4.350 0.015 0.000 0.265 390 T C -0.564 174.081 174.700 -0.091 0.000 1.038 390 T CA 1.084 63.142 62.100 -0.070 0.000 1.144 390 T CB -1.226 67.635 68.868 -0.012 0.000 0.866 390 T HN 0.329 nan 8.240 nan 0.000 0.434 391 P HA -0.033 nan 4.420 nan 0.000 0.216 391 P C 1.496 178.813 177.300 0.027 0.000 1.153 391 P CA 0.994 64.075 63.100 -0.031 0.000 0.858 391 P CB -0.218 31.426 31.700 -0.092 0.000 0.789 392 L N -1.381 119.808 121.223 -0.055 0.000 2.056 392 L HA -0.120 4.229 4.340 0.015 0.000 0.207 392 L C 2.523 179.414 176.870 0.035 0.000 1.078 392 L CA 1.438 56.273 54.840 -0.008 0.000 0.749 392 L CB -1.226 40.789 42.059 -0.074 0.000 0.901 392 L HN -0.059 nan 8.230 nan 0.000 0.433 393 A N 0.435 123.266 122.820 0.019 0.000 1.883 393 A HA -0.227 4.102 4.320 0.015 0.000 0.217 393 A C 2.385 180.035 177.584 0.111 0.000 1.186 393 A CA 1.687 53.759 52.037 0.059 0.000 0.624 393 A CB -0.501 18.511 19.000 0.020 0.000 0.822 393 A HN 0.337 nan 8.150 nan 0.000 0.444 394 R N -0.689 119.851 120.500 0.067 0.000 2.115 394 R HA 0.015 4.364 4.340 0.015 0.000 0.230 394 R C 2.434 178.900 176.300 0.275 0.000 1.111 394 R CA 0.967 57.135 56.100 0.113 0.000 0.976 394 R CB -0.414 29.886 30.300 -0.001 0.000 0.870 394 R HN 0.519 nan 8.270 nan 0.000 0.445 395 A N 1.393 124.389 122.820 0.292 0.000 1.902 395 A HA -0.100 4.229 4.320 0.015 0.000 0.217 395 A C 2.357 180.153 177.584 0.352 0.000 1.181 395 A CA 1.670 53.984 52.037 0.463 0.000 0.623 395 A CB -0.525 18.753 19.000 0.462 0.000 0.818 395 A HN 0.376 nan 8.150 nan 0.000 0.443 396 A N -1.472 121.463 122.820 0.192 0.000 1.930 396 A HA -0.131 4.198 4.320 0.015 0.000 0.217 396 A C 2.074 179.775 177.584 0.195 0.000 1.175 396 A CA 1.227 53.337 52.037 0.122 0.000 0.627 396 A CB -0.800 18.248 19.000 0.080 0.000 0.815 396 A HN 0.820 nan 8.150 nan 0.000 0.443 397 W N 1.223 122.577 121.300 0.091 0.000 2.333 397 W HA -0.178 4.491 4.660 0.016 0.000 0.316 397 W C 1.646 178.239 176.519 0.124 0.000 1.215 397 W CA 2.069 59.465 57.345 0.084 0.000 1.278 397 W CB -0.380 29.105 29.460 0.042 0.000 1.154 397 W HN 0.559 nan 8.180 nan 0.000 0.486 398 E N -0.774 119.705 120.200 0.465 0.000 2.338 398 E HA -0.136 4.223 4.350 0.015 0.000 0.197 398 E C 1.940 178.747 176.600 0.345 0.000 1.007 398 E CA 1.519 58.167 56.400 0.413 0.000 0.849 398 E CB -0.181 29.820 29.700 0.501 0.000 0.774 398 E HN 0.143 nan 8.360 nan 0.000 0.506 399 T N 0.522 115.257 114.554 0.301 0.000 2.851 399 T HA -0.041 4.318 4.350 0.015 0.000 0.262 399 T C 1.992 176.745 174.700 0.090 0.000 1.043 399 T CA 1.090 63.315 62.100 0.209 0.000 1.140 399 T CB -0.022 68.955 68.868 0.180 0.000 0.872 399 T HN 0.243 nan 8.240 nan 0.000 0.446 400 A N 1.246 124.069 122.820 0.005 0.000 1.975 400 A HA 0.181 4.510 4.320 0.015 0.000 0.215 400 A C 1.169 178.684 177.584 -0.115 0.000 1.170 400 A CA 0.520 52.500 52.037 -0.095 0.000 0.656 400 A CB 0.068 18.944 19.000 -0.206 0.000 0.821 400 A HN 0.357 nan 8.150 nan 0.000 0.449 401 R N -0.206 120.225 120.500 -0.115 0.000 2.532 401 R HA 0.279 4.628 4.340 0.015 0.000 0.297 401 R C -0.864 175.522 176.300 0.142 0.000 0.984 401 R CA -0.705 55.372 56.100 -0.038 0.000 0.884 401 R CB 1.165 31.352 30.300 -0.188 0.000 1.182 401 R HN 0.489 nan 8.270 nan 0.000 0.442 402 H N 2.519 121.639 119.070 0.083 0.000 3.064 402 H HA 0.002 4.567 4.556 0.015 0.000 0.329 402 H C -0.583 174.823 175.328 0.131 0.000 1.020 402 H CA 1.195 57.308 56.048 0.109 0.000 1.402 402 H CB 0.782 30.588 29.762 0.073 0.000 1.379 402 H HN 0.727 nan 8.280 nan 0.000 0.594 403 T N 2.777 117.192 114.554 -0.233 0.000 2.916 403 T HA 0.241 4.600 4.350 0.015 0.000 0.305 403 T C -2.003 172.554 174.700 -0.239 0.000 1.119 403 T CA -1.498 60.554 62.100 -0.081 0.000 1.008 403 T CB 2.335 71.218 68.868 0.025 0.000 1.129 403 T HN 0.343 nan 8.240 nan 0.000 0.480 404 P HA 0.075 nan 4.420 nan 0.000 0.215 404 P C 0.316 177.435 177.300 -0.302 0.000 1.157 404 P CA 0.700 63.659 63.100 -0.234 0.000 0.863 404 P CB 0.094 31.604 31.700 -0.318 0.000 0.787 405 I N 1.204 121.616 120.570 -0.263 0.000 2.336 405 I HA 0.172 4.351 4.170 0.015 0.000 0.292 405 I C 0.290 176.278 176.117 -0.215 0.000 0.991 405 I CA -0.954 60.207 61.300 -0.232 0.000 1.227 405 I CB 0.700 38.586 38.000 -0.191 0.000 1.366 405 I HN -0.095 nan 8.210 nan 0.000 0.466 406 N N 4.916 123.436 118.700 -0.301 0.000 2.602 406 N HA 0.033 4.782 4.740 0.015 0.000 0.238 406 N C 1.317 176.539 175.510 -0.480 0.000 1.084 406 N CA -0.009 52.768 53.050 -0.454 0.000 0.952 406 N CB 1.149 39.153 38.487 -0.806 0.000 1.244 406 N HN 0.612 nan 8.380 nan 0.000 0.512 407 S N 2.054 117.620 115.700 -0.223 0.000 2.400 407 S HA -0.136 4.343 4.470 0.015 0.000 0.232 407 S C 1.854 176.404 174.600 -0.085 0.000 1.025 407 S CA 0.385 58.517 58.200 -0.115 0.000 0.993 407 S CB -0.433 62.756 63.200 -0.018 0.000 0.808 407 S HN 0.791 nan 8.310 nan 0.000 0.478 408 W N 1.220 122.457 121.300 -0.105 0.000 2.363 408 W HA -0.021 4.648 4.660 0.015 0.000 0.296 408 W C 1.727 178.152 176.519 -0.157 0.000 1.212 408 W CA 0.466 57.720 57.345 -0.151 0.000 1.260 408 W CB -1.046 28.122 29.460 -0.487 0.000 1.131 408 W HN 0.355 nan 8.180 nan 0.000 0.530 409 L N 2.911 123.529 121.223 -1.009 0.000 2.056 409 L HA 0.126 4.475 4.340 0.015 0.000 0.207 409 L C 2.671 179.372 176.870 -0.282 0.000 1.078 409 L CA 2.744 57.098 54.840 -0.810 0.000 0.749 409 L CB -1.386 39.956 42.059 -1.194 0.000 0.901 409 L HN 0.055 nan 8.230 nan 0.000 0.433 410 G N -0.711 107.938 108.800 -0.251 0.000 2.418 410 G HA2 -0.295 3.674 3.960 0.015 0.000 0.217 410 G HA3 -0.295 3.674 3.960 0.015 0.000 0.217 410 G C 1.455 176.382 174.900 0.045 0.000 1.158 410 G CA 0.763 45.800 45.100 -0.104 0.000 0.771 410 G HN 0.447 nan 8.290 nan 0.000 0.545 411 N N 0.616 119.399 118.700 0.138 0.000 2.188 411 N HA -0.021 4.728 4.740 0.015 0.000 0.184 411 N C 2.239 177.911 175.510 0.270 0.000 1.018 411 N CA 0.638 53.892 53.050 0.341 0.000 0.858 411 N CB -0.153 38.588 38.487 0.422 0.000 0.989 411 N HN 0.348 nan 8.380 nan 0.000 0.426 412 I N 0.861 121.546 120.570 0.192 0.000 2.226 412 I HA -0.226 3.953 4.170 0.015 0.000 0.245 412 I C 1.999 178.176 176.117 0.101 0.000 1.100 412 I CA 0.954 62.342 61.300 0.147 0.000 1.374 412 I CB -0.180 37.967 38.000 0.245 0.000 1.057 412 I HN 0.025 nan 8.210 nan 0.000 0.413 413 I N -0.047 120.590 120.570 0.112 0.000 2.202 413 I HA -0.283 3.896 4.170 0.015 0.000 0.242 413 I C 2.466 178.707 176.117 0.207 0.000 1.091 413 I CA 1.240 62.635 61.300 0.157 0.000 1.368 413 I CB -0.180 37.903 38.000 0.138 0.000 1.058 413 I HN 0.204 nan 8.210 nan 0.000 0.410 414 M N -1.017 118.633 119.600 0.083 0.000 2.388 414 M HA -0.068 4.421 4.480 0.015 0.000 0.265 414 M C 1.058 177.205 176.300 -0.255 0.000 1.088 414 M CA 1.594 56.848 55.300 -0.076 0.000 1.134 414 M CB -0.623 31.841 32.600 -0.227 0.000 1.384 414 M HN 0.214 nan 8.290 nan 0.000 0.447 415 Y N -0.661 119.645 120.300 0.011 0.000 2.720 415 Y HA 0.434 4.993 4.550 0.015 0.000 0.268 415 Y C 1.839 177.495 175.900 -0.407 0.000 1.142 415 Y CA -0.249 57.748 58.100 -0.172 0.000 1.193 415 Y CB -0.459 37.819 38.460 -0.302 0.000 1.176 415 Y HN 0.162 nan 8.280 nan 0.000 0.542 416 A N 0.931 123.531 122.820 -0.366 0.000 1.986 416 A HA -0.149 4.180 4.320 0.015 0.000 0.220 416 A C -0.543 176.748 177.584 -0.489 0.000 1.171 416 A CA 1.515 53.293 52.037 -0.431 0.000 0.640 416 A CB -1.272 17.462 19.000 -0.443 0.000 0.811 416 A HN 0.276 nan 8.150 nan 0.000 0.451 417 P HA 0.006 nan 4.420 nan 0.000 0.229 417 P C 0.782 177.836 177.300 -0.410 0.000 1.160 417 P CA 1.278 64.103 63.100 -0.458 0.000 0.777 417 P CB -0.371 31.087 31.700 -0.404 0.000 0.814 418 T N -2.269 112.058 114.554 -0.377 0.000 2.898 418 T HA 0.104 4.463 4.350 0.015 0.000 0.301 418 T C 1.167 175.488 174.700 -0.631 0.000 1.049 418 T CA -0.630 61.228 62.100 -0.403 0.000 1.095 418 T CB 0.555 69.009 68.868 -0.689 0.000 0.976 418 T HN -0.137 nan 8.240 nan 0.000 0.539 419 L N 2.270 123.036 121.223 -0.763 0.000 2.012 419 L HA 0.001 4.350 4.340 0.015 0.000 0.210 419 L C 2.408 178.940 176.870 -0.563 0.000 1.073 419 L CA 1.745 56.037 54.840 -0.914 0.000 0.748 419 L CB -1.035 40.374 42.059 -1.083 0.000 0.891 419 L HN 0.924 nan 8.230 nan 0.000 0.431 420 W N -0.522 120.556 121.300 -0.370 0.000 2.402 420 W HA 0.061 4.730 4.660 0.015 0.000 0.286 420 W C 1.965 178.327 176.519 -0.262 0.000 1.221 420 W CA 0.795 57.954 57.345 -0.310 0.000 1.257 420 W CB -1.325 27.992 29.460 -0.237 0.000 1.120 420 W HN 0.358 nan 8.180 nan 0.000 0.551 421 A N 1.655 124.046 122.820 -0.715 0.000 1.970 421 A HA -0.054 4.275 4.320 0.015 0.000 0.216 421 A C 2.254 179.675 177.584 -0.272 0.000 1.170 421 A CA 1.196 52.953 52.037 -0.467 0.000 0.645 421 A CB -0.609 17.973 19.000 -0.696 0.000 0.816 421 A HN 0.272 nan 8.150 nan 0.000 0.447 422 R N -0.874 119.381 120.500 -0.409 0.000 2.057 422 R HA 0.056 4.405 4.340 0.015 0.000 0.229 422 R C 2.191 178.271 176.300 -0.367 0.000 1.136 422 R CA 1.717 57.583 56.100 -0.390 0.000 0.952 422 R CB -0.349 29.572 30.300 -0.631 0.000 0.848 422 R HN 0.490 nan 8.270 nan 0.000 0.430 423 M N -0.226 118.998 119.600 -0.628 0.000 2.288 423 M HA 0.006 4.495 4.480 0.015 0.000 0.266 423 M C 1.932 178.142 176.300 -0.151 0.000 1.072 423 M CA 1.366 56.343 55.300 -0.538 0.000 1.132 423 M CB 0.120 32.324 32.600 -0.660 0.000 1.386 423 M HN 0.125 nan 8.290 nan 0.000 0.432 424 I N -0.534 119.798 120.570 -0.397 0.000 2.834 424 I HA -0.103 4.076 4.170 0.015 0.000 0.239 424 I C 2.150 178.048 176.117 -0.365 0.000 1.073 424 I CA 0.372 61.171 61.300 -0.836 0.000 1.459 424 I CB -0.346 37.136 38.000 -0.864 0.000 1.288 424 I HN 0.133 nan 8.210 nan 0.000 0.455 425 L N 0.412 121.604 121.223 -0.051 0.000 1.989 425 L HA -0.256 4.093 4.340 0.015 0.000 0.211 425 L C 2.750 179.877 176.870 0.427 0.000 1.071 425 L CA 1.786 56.788 54.840 0.271 0.000 0.749 425 L CB -0.491 41.783 42.059 0.358 0.000 0.890 425 L HN 0.309 nan 8.230 nan 0.000 0.431 426 M N -0.956 118.862 119.600 0.363 0.000 2.080 426 M HA -0.204 4.285 4.480 0.015 0.000 0.260 426 M C 2.298 179.058 176.300 0.767 0.000 1.068 426 M CA 2.171 57.787 55.300 0.527 0.000 1.109 426 M CB -0.681 32.019 32.600 0.167 0.000 1.342 426 M HN 0.292 nan 8.290 nan 0.000 0.405 427 T N -1.392 113.589 114.554 0.712 0.000 2.708 427 T HA -0.218 4.141 4.350 0.015 0.000 0.266 427 T C 1.633 176.652 174.700 0.531 0.000 1.037 427 T CA 1.901 64.450 62.100 0.749 0.000 1.146 427 T CB -0.569 68.785 68.868 0.809 0.000 0.865 427 T HN 0.487 nan 8.240 nan 0.000 0.435 428 H N 0.429 119.687 119.070 0.313 0.000 2.293 428 H HA -0.022 4.543 4.556 0.015 0.000 0.300 428 H C 1.789 177.024 175.328 -0.155 0.000 1.082 428 H CA 1.663 57.766 56.048 0.092 0.000 1.308 428 H CB -0.562 29.086 29.762 -0.190 0.000 1.375 428 H HN 0.399 nan 8.280 nan 0.000 0.495 429 F N -1.310 118.583 119.950 -0.095 0.000 2.293 429 F HA 0.001 4.537 4.527 0.015 0.000 0.297 429 F C 1.877 177.544 175.800 -0.221 0.000 1.089 429 F CA 0.449 58.186 58.000 -0.439 0.000 1.377 429 F CB -0.245 38.197 39.000 -0.929 0.000 1.051 429 F HN 0.139 nan 8.300 nan 0.000 0.511 430 F N -0.418 119.640 119.950 0.180 0.000 2.259 430 F HA -0.176 4.360 4.527 0.015 0.000 0.298 430 F C 2.726 178.569 175.800 0.071 0.000 1.088 430 F CA 1.374 59.492 58.000 0.197 0.000 1.358 430 F CB -0.716 38.504 39.000 0.367 0.000 1.040 430 F HN -0.065 nan 8.300 nan 0.000 0.505 431 S N 0.583 116.386 115.700 0.172 0.000 2.356 431 S HA -0.159 4.320 4.470 0.015 0.000 0.223 431 S C 2.174 176.750 174.600 -0.040 0.000 1.032 431 S CA 1.354 59.579 58.200 0.042 0.000 1.005 431 S CB -0.451 62.763 63.200 0.024 0.000 0.867 431 S HN 0.264 nan 8.310 nan 0.000 0.449 432 I N 1.092 121.570 120.570 -0.154 0.000 2.163 432 I HA -0.130 4.049 4.170 0.015 0.000 0.243 432 I C 2.350 178.427 176.117 -0.066 0.000 1.085 432 I CA 1.095 62.295 61.300 -0.165 0.000 1.347 432 I CB -1.110 36.703 38.000 -0.312 0.000 1.044 432 I HN 0.344 nan 8.210 nan 0.000 0.408 433 L N -0.008 121.185 121.223 -0.050 0.000 2.093 433 L HA -0.168 4.181 4.340 0.015 0.000 0.208 433 L C 2.373 179.254 176.870 0.018 0.000 1.085 433 L CA 1.368 56.199 54.840 -0.016 0.000 0.755 433 L CB -1.182 40.833 42.059 -0.073 0.000 0.904 433 L HN 0.164 nan 8.230 nan 0.000 0.435 434 L N -0.222 121.027 121.223 0.044 0.000 2.012 434 L HA -0.158 4.191 4.340 0.015 0.000 0.210 434 L C 2.547 179.434 176.870 0.029 0.000 1.073 434 L CA 2.184 57.060 54.840 0.060 0.000 0.748 434 L CB -1.329 40.776 42.059 0.076 0.000 0.891 434 L HN 0.268 nan 8.230 nan 0.000 0.431 435 A N -1.581 121.244 122.820 0.009 0.000 1.972 435 A HA -0.200 4.129 4.320 0.015 0.000 0.219 435 A C 1.954 179.540 177.584 0.004 0.000 1.169 435 A CA 1.498 53.535 52.037 -0.001 0.000 0.635 435 A CB -0.365 18.624 19.000 -0.018 0.000 0.810 435 A HN 0.667 nan 8.150 nan 0.000 0.446 436 Q N -1.025 118.779 119.800 0.008 0.000 2.220 436 Q HA 0.181 4.530 4.340 0.015 0.000 0.205 436 Q C -0.879 175.136 176.000 0.025 0.000 0.865 436 Q CA -0.080 55.732 55.803 0.015 0.000 0.960 436 Q CB 0.335 29.084 28.738 0.018 0.000 1.097 436 Q HN 0.686 nan 8.270 nan 0.000 0.493 437 E N 0.892 121.108 120.200 0.027 0.000 2.228 437 E HA -0.266 4.093 4.350 0.015 0.000 0.213 437 E C -0.342 176.282 176.600 0.040 0.000 1.282 437 E CA 0.322 56.742 56.400 0.034 0.000 0.707 437 E CB -0.918 28.800 29.700 0.029 0.000 1.150 437 E HN 0.463 nan 8.360 nan 0.000 0.362 438 Q N -0.219 119.607 119.800 0.043 0.000 2.115 438 Q HA 0.107 4.455 4.340 0.015 0.000 0.249 438 Q C 0.948 176.977 176.000 0.048 0.000 0.830 438 Q CA -0.479 55.353 55.803 0.050 0.000 1.104 438 Q CB 0.526 29.299 28.738 0.059 0.000 1.207 438 Q HN 0.180 nan 8.270 nan 0.000 0.464 439 L N 1.076 122.328 121.223 0.050 0.000 2.261 439 L HA -0.160 4.189 4.340 0.015 0.000 0.216 439 L C 1.883 178.793 176.870 0.066 0.000 1.114 439 L CA 1.864 56.737 54.840 0.056 0.000 0.777 439 L CB -0.319 41.803 42.059 0.105 0.000 0.910 439 L HN 0.314 nan 8.230 nan 0.000 0.440 440 E N -0.866 119.372 120.200 0.063 0.000 2.276 440 E HA -0.069 4.290 4.350 0.015 0.000 0.193 440 E C 0.924 177.560 176.600 0.060 0.000 0.983 440 E CA -0.139 56.299 56.400 0.063 0.000 0.861 440 E CB 0.314 30.048 29.700 0.056 0.000 0.817 440 E HN 0.300 nan 8.360 nan 0.000 0.485 441 K N 1.756 122.192 120.400 0.060 0.000 2.412 441 K HA 0.186 4.515 4.320 0.015 0.000 0.281 441 K C -0.580 176.057 176.600 0.062 0.000 1.027 441 K CA -0.210 56.114 56.287 0.063 0.000 0.989 441 K CB 0.721 33.263 32.500 0.070 0.000 0.935 441 K HN -0.108 nan 8.250 nan 0.000 0.475 442 A N 5.165 128.021 122.820 0.060 0.000 2.354 442 A HA 0.446 4.775 4.320 0.015 0.000 0.269 442 A C -0.658 176.952 177.584 0.042 0.000 1.109 442 A CA -0.597 51.473 52.037 0.054 0.000 0.800 442 A CB 0.237 19.275 19.000 0.064 0.000 1.045 442 A HN 0.734 nan 8.150 nan 0.000 0.489 443 L N 1.608 122.832 121.223 0.003 0.000 2.354 443 L HA 0.393 4.742 4.340 0.015 0.000 0.269 443 L C -0.925 175.898 176.870 -0.078 0.000 1.005 443 L CA -1.078 53.734 54.840 -0.047 0.000 0.819 443 L CB 2.015 44.001 42.059 -0.122 0.000 1.311 443 L HN 0.554 nan 8.230 nan 0.000 0.423 444 D N 1.465 121.818 120.400 -0.079 0.000 2.308 444 D HA 0.415 5.064 4.640 0.015 0.000 0.251 444 D C -0.387 175.809 176.300 -0.173 0.000 1.127 444 D CA 0.011 53.972 54.000 -0.066 0.000 0.876 444 D CB 1.308 42.098 40.800 -0.016 0.000 1.176 444 D HN 0.596 nan 8.370 nan 0.000 0.446 445 C N 0.826 120.035 119.300 -0.153 0.000 3.213 445 C HA 0.708 5.177 4.460 0.015 0.000 0.319 445 C C -0.699 174.222 174.990 -0.113 0.000 1.386 445 C CA -0.870 58.030 59.018 -0.197 0.000 1.494 445 C CB 1.308 28.880 27.740 -0.280 0.000 1.905 445 C HN 0.496 nan 8.230 nan 0.000 0.456 446 Q N 0.291 120.025 119.800 -0.109 0.000 2.345 446 Q HA 0.789 5.138 4.340 0.015 0.000 0.268 446 Q C -1.343 174.607 176.000 -0.082 0.000 1.054 446 Q CA -0.449 55.323 55.803 -0.052 0.000 0.835 446 Q CB 2.340 31.062 28.738 -0.027 0.000 1.339 446 Q HN 0.726 nan 8.270 nan 0.000 0.447 447 I N 1.936 122.467 120.570 -0.065 0.000 2.500 447 I HA 0.179 4.358 4.170 0.015 0.000 0.286 447 I C -0.827 175.308 176.117 0.030 0.000 1.063 447 I CA -0.534 60.654 61.300 -0.186 0.000 1.062 447 I CB 1.184 38.807 38.000 -0.628 0.000 1.223 447 I HN 0.796 nan 8.210 nan 0.000 0.435 448 Y N 5.096 125.457 120.300 0.101 0.000 3.491 448 Y HA -0.329 4.230 4.550 0.015 0.000 0.215 448 Y C 1.615 177.519 175.900 0.007 0.000 1.219 448 Y CA 0.354 58.522 58.100 0.113 0.000 1.485 448 Y CB -1.159 37.401 38.460 0.168 0.000 1.450 448 Y HN 1.046 nan 8.280 nan 0.000 0.603 449 G N -1.431 107.467 108.800 0.164 0.000 2.267 449 G HA2 -0.220 3.749 3.960 0.015 0.000 0.257 449 G HA3 -0.220 3.749 3.960 0.015 0.000 0.257 449 G C 0.245 175.161 174.900 0.026 0.000 0.998 449 G CA 0.015 45.163 45.100 0.081 0.000 0.620 449 G HN 1.391 nan 8.290 nan 0.000 0.529 450 A N -0.336 122.485 122.820 0.002 0.000 2.354 450 A HA 0.609 4.938 4.320 0.015 0.000 0.269 450 A C 0.789 178.185 177.584 -0.313 0.000 1.109 450 A CA 0.498 52.358 52.037 -0.295 0.000 0.800 450 A CB 0.751 19.391 19.000 -0.600 0.000 1.045 450 A HN 1.574 nan 8.150 nan 0.000 0.489 451 C N 2.816 121.870 119.300 -0.411 0.000 2.435 451 C HA 0.713 5.182 4.460 0.015 0.000 0.375 451 C C -0.866 173.726 174.990 -0.664 0.000 1.281 451 C CA -0.349 58.513 59.018 -0.260 0.000 1.963 451 C CB -1.404 26.394 27.740 0.096 0.000 2.490 451 C HN 0.648 nan 8.230 nan 0.000 0.557 452 Y N 2.770 122.856 120.300 -0.357 0.000 2.499 452 Y HA 0.462 5.021 4.550 0.015 0.000 0.347 452 Y C 0.390 176.144 175.900 -0.244 0.000 0.987 452 Y CA -0.364 57.480 58.100 -0.427 0.000 1.044 452 Y CB 1.871 40.001 38.460 -0.551 0.000 1.245 452 Y HN 0.593 nan 8.280 nan 0.000 0.461 453 S N 4.092 119.766 115.700 -0.044 0.000 2.422 453 S HA 0.680 5.159 4.470 0.015 0.000 0.308 453 S C -1.078 173.562 174.600 0.067 0.000 1.097 453 S CA -0.480 57.748 58.200 0.046 0.000 1.099 453 S CB -0.244 63.024 63.200 0.113 0.000 0.976 453 S HN 0.455 nan 8.310 nan 0.000 0.471 454 I N 3.987 124.582 120.570 0.041 0.000 2.498 454 I HA 0.367 4.546 4.170 0.015 0.000 0.290 454 I C -0.115 176.031 176.117 0.047 0.000 1.032 454 I CA -0.607 60.729 61.300 0.060 0.000 1.073 454 I CB 2.109 40.125 38.000 0.027 0.000 1.251 454 I HN 0.610 nan 8.210 nan 0.000 0.426 455 E N 6.975 127.220 120.200 0.074 0.000 2.194 455 E HA 0.208 4.566 4.350 0.015 0.000 0.284 455 E C -1.699 174.955 176.600 0.090 0.000 1.035 455 E CA -1.522 54.922 56.400 0.073 0.000 0.836 455 E CB 1.435 31.182 29.700 0.078 0.000 1.070 455 E HN 0.302 nan 8.360 nan 0.000 0.401 456 P HA -0.184 nan 4.420 nan 0.000 0.218 456 P C 0.931 178.368 177.300 0.228 0.000 1.146 456 P CA 1.132 64.294 63.100 0.104 0.000 0.813 456 P CB 0.210 31.880 31.700 -0.050 0.000 0.778 457 L N -1.096 120.240 121.223 0.187 0.000 2.456 457 L HA -0.091 4.258 4.340 0.015 0.000 0.224 457 L C 1.243 178.212 176.870 0.165 0.000 1.148 457 L CA 1.025 55.995 54.840 0.217 0.000 0.825 457 L CB -0.562 41.590 42.059 0.154 0.000 0.937 457 L HN -0.052 nan 8.230 nan 0.000 0.450 458 D N -0.798 119.688 120.400 0.143 0.000 2.339 458 D HA -0.009 4.640 4.640 0.015 0.000 0.217 458 D C 2.058 178.429 176.300 0.117 0.000 1.050 458 D CA 0.084 54.144 54.000 0.100 0.000 0.856 458 D CB 0.468 41.318 40.800 0.083 0.000 0.922 458 D HN 0.080 nan 8.370 nan 0.000 0.518 459 L N 1.379 122.716 121.223 0.190 0.000 2.021 459 L HA -0.139 4.210 4.340 0.015 0.000 0.215 459 L C -0.544 176.430 176.870 0.173 0.000 1.074 459 L CA 2.079 57.050 54.840 0.218 0.000 0.760 459 L CB -1.989 40.274 42.059 0.339 0.000 0.889 459 L HN 0.052 nan 8.230 nan 0.000 0.433 460 P HA -0.193 nan 4.420 nan 0.000 0.215 460 P C 1.642 178.963 177.300 0.035 0.000 1.157 460 P CA 1.346 64.444 63.100 -0.002 0.000 0.874 460 P CB 0.028 31.567 31.700 -0.267 0.000 0.790 461 Q N -0.714 119.064 119.800 -0.036 0.000 2.050 461 Q HA -0.115 4.234 4.340 0.015 0.000 0.202 461 Q C 2.240 178.239 176.000 -0.003 0.000 0.980 461 Q CA 1.340 57.120 55.803 -0.038 0.000 0.840 461 Q CB -1.090 27.610 28.738 -0.064 0.000 0.898 461 Q HN 0.246 nan 8.270 nan 0.000 0.424 462 I N 0.221 120.795 120.570 0.007 0.000 2.151 462 I HA -0.307 3.872 4.170 0.015 0.000 0.243 462 I C 2.111 178.263 176.117 0.057 0.000 1.080 462 I CA 1.342 62.627 61.300 -0.025 0.000 1.339 462 I CB -0.381 37.652 38.000 0.055 0.000 1.039 462 I HN 0.211 nan 8.210 nan 0.000 0.409 463 I N 0.339 121.006 120.570 0.162 0.000 2.252 463 I HA -0.277 3.902 4.170 0.015 0.000 0.245 463 I C 2.657 178.849 176.117 0.127 0.000 1.102 463 I CA 1.335 62.758 61.300 0.205 0.000 1.385 463 I CB -0.412 37.711 38.000 0.206 0.000 1.064 463 I HN 0.315 nan 8.210 nan 0.000 0.414 464 E N 1.099 121.410 120.200 0.184 0.000 2.058 464 E HA -0.245 4.114 4.350 0.015 0.000 0.194 464 E C 2.427 179.048 176.600 0.035 0.000 0.997 464 E CA 1.128 57.610 56.400 0.137 0.000 0.801 464 E CB 0.121 29.935 29.700 0.189 0.000 0.746 464 E HN 0.270 nan 8.360 nan 0.000 0.450 465 R N 0.333 120.830 120.500 -0.005 0.000 2.062 465 R HA -0.089 4.260 4.340 0.015 0.000 0.231 465 R C 2.576 178.826 176.300 -0.084 0.000 1.136 465 R CA 0.890 56.954 56.100 -0.059 0.000 0.948 465 R CB -0.790 29.440 30.300 -0.117 0.000 0.845 465 R HN 0.339 nan 8.270 nan 0.000 0.430 466 L N -0.317 120.848 121.223 -0.096 0.000 1.994 466 L HA -0.188 4.161 4.340 0.015 0.000 0.208 466 L C 2.176 178.842 176.870 -0.340 0.000 1.071 466 L CA 1.524 56.224 54.840 -0.232 0.000 0.745 466 L CB -0.598 41.303 42.059 -0.264 0.000 0.892 466 L HN 0.348 nan 8.230 nan 0.000 0.431 467 H N -1.060 117.942 119.070 -0.113 0.000 2.750 467 H HA 0.253 4.817 4.556 0.015 0.000 0.263 467 H C 0.949 176.195 175.328 -0.137 0.000 0.964 467 H CA 0.704 56.668 56.048 -0.139 0.000 1.205 467 H CB 0.940 30.588 29.762 -0.190 0.000 1.454 467 H HN 0.371 nan 8.280 nan 0.000 0.503 468 G N 1.179 109.972 108.800 -0.012 0.000 2.730 468 G HA2 -0.237 3.732 3.960 0.015 0.000 0.686 468 G HA3 -0.237 3.732 3.960 0.015 0.000 0.686 468 G C 0.324 175.189 174.900 -0.059 0.000 1.343 468 G CA -0.313 44.776 45.100 -0.018 0.000 0.826 468 G HN 0.117 nan 8.290 nan 0.000 0.582 469 L N 1.714 122.959 121.223 0.038 0.000 2.187 469 L HA -0.054 4.295 4.340 0.015 0.000 0.213 469 L C 3.225 180.111 176.870 0.025 0.000 1.100 469 L CA 3.004 57.929 54.840 0.143 0.000 0.765 469 L CB -0.914 41.268 42.059 0.205 0.000 0.904 469 L HN 1.284 nan 8.230 nan 0.000 0.437 470 S N -1.265 114.408 115.700 -0.046 0.000 2.442 470 S HA -0.157 4.321 4.470 0.015 0.000 0.236 470 S C 2.102 176.590 174.600 -0.186 0.000 1.007 470 S CA 0.769 58.923 58.200 -0.077 0.000 0.965 470 S CB -0.578 62.574 63.200 -0.080 0.000 0.773 470 S HN 0.364 nan 8.310 nan 0.000 0.504 471 A N 0.682 123.282 122.820 -0.366 0.000 2.070 471 A HA 0.185 4.514 4.320 0.015 0.000 0.220 471 A C 1.560 178.857 177.584 -0.479 0.000 1.159 471 A CA 0.891 52.606 52.037 -0.536 0.000 0.656 471 A CB -0.854 17.695 19.000 -0.752 0.000 0.800 471 A HN 0.684 nan 8.150 nan 0.000 0.453 472 F N -0.726 119.235 119.950 0.018 0.000 2.727 472 F HA 0.107 4.643 4.527 0.015 0.000 0.302 472 F C 1.972 177.820 175.800 0.079 0.000 1.097 472 F CA 0.752 58.791 58.000 0.066 0.000 1.330 472 F CB 0.477 39.541 39.000 0.108 0.000 1.084 472 F HN 0.274 nan 8.300 nan 0.000 0.578 473 T N -2.948 111.701 114.554 0.158 0.000 3.087 473 T HA 0.308 4.667 4.350 0.015 0.000 0.283 473 T C 0.335 175.112 174.700 0.128 0.000 0.956 473 T CA -0.121 62.073 62.100 0.156 0.000 0.894 473 T CB -0.439 68.508 68.868 0.132 0.000 1.160 473 T HN -0.048 nan 8.240 nan 0.000 0.532 474 L N 3.365 124.578 121.223 -0.016 0.000 2.485 474 L HA 0.417 4.766 4.340 0.015 0.000 0.275 474 L C 0.654 177.469 176.870 -0.090 0.000 1.207 474 L CA 0.032 54.744 54.840 -0.213 0.000 0.855 474 L CB -0.002 41.760 42.059 -0.495 0.000 1.114 474 L HN 0.648 nan 8.230 nan 0.000 0.485 475 H N -1.658 117.256 119.070 -0.262 0.000 2.933 475 H HA 0.400 4.965 4.556 0.015 0.000 0.310 475 H C -0.288 174.949 175.328 -0.153 0.000 1.351 475 H CA -0.834 55.148 56.048 -0.111 0.000 1.137 475 H CB 0.985 30.758 29.762 0.019 0.000 1.853 475 H HN 0.393 nan 8.280 nan 0.000 0.539 476 S N -0.810 114.954 115.700 0.106 0.000 3.608 476 S HA -0.242 4.237 4.470 0.015 0.000 0.382 476 S C -0.591 174.026 174.600 0.029 0.000 0.945 476 S CA 0.472 58.724 58.200 0.086 0.000 1.256 476 S CB -2.593 60.624 63.200 0.028 0.000 0.913 476 S HN 0.522 nan 8.310 nan 0.000 0.518 477 Y N 1.971 122.303 120.300 0.053 0.000 2.426 477 Y HA 0.287 4.846 4.550 0.015 0.000 0.344 477 Y C 1.477 177.422 175.900 0.076 0.000 1.256 477 Y CA 0.363 58.498 58.100 0.058 0.000 1.451 477 Y CB 0.406 38.895 38.460 0.049 0.000 1.342 477 Y HN 0.554 nan 8.280 nan 0.000 0.600 478 S N 1.658 117.498 115.700 0.234 0.000 2.572 478 S HA 0.113 4.592 4.470 0.015 0.000 0.279 478 S C -2.030 172.649 174.600 0.132 0.000 1.341 478 S CA -1.110 57.176 58.200 0.143 0.000 1.043 478 S CB 1.177 64.437 63.200 0.099 0.000 0.887 478 S HN 0.439 nan 8.310 nan 0.000 0.516 479 P HA -0.001 nan 4.420 nan 0.000 0.216 479 P C 1.714 179.053 177.300 0.064 0.000 1.150 479 P CA 1.595 64.740 63.100 0.076 0.000 0.837 479 P CB -0.418 31.317 31.700 0.058 0.000 0.786 480 G N -0.067 108.767 108.800 0.058 0.000 2.402 480 G HA2 -0.268 3.701 3.960 0.015 0.000 0.216 480 G HA3 -0.268 3.701 3.960 0.015 0.000 0.216 480 G C 1.657 176.585 174.900 0.046 0.000 1.162 480 G CA 0.852 45.977 45.100 0.042 0.000 0.777 480 G HN 0.271 nan 8.290 nan 0.000 0.539 481 E N 0.684 120.929 120.200 0.075 0.000 2.047 481 E HA -0.053 4.306 4.350 0.015 0.000 0.191 481 E C 2.384 179.027 176.600 0.072 0.000 0.987 481 E CA 0.812 57.269 56.400 0.095 0.000 0.799 481 E CB -0.413 29.397 29.700 0.183 0.000 0.752 481 E HN 0.477 nan 8.360 nan 0.000 0.449 482 I N 0.851 121.468 120.570 0.078 0.000 2.286 482 I HA -0.267 3.912 4.170 0.015 0.000 0.248 482 I C 1.929 178.062 176.117 0.027 0.000 1.115 482 I CA 0.966 62.293 61.300 0.045 0.000 1.392 482 I CB -0.344 37.696 38.000 0.066 0.000 1.065 482 I HN 0.177 nan 8.210 nan 0.000 0.418 483 N N 0.614 119.333 118.700 0.031 0.000 2.216 483 N HA -0.158 4.591 4.740 0.015 0.000 0.183 483 N C 1.905 177.417 175.510 0.004 0.000 1.017 483 N CA 0.940 54.002 53.050 0.019 0.000 0.861 483 N CB -0.321 38.179 38.487 0.022 0.000 0.986 483 N HN 0.330 nan 8.380 nan 0.000 0.428 484 R N 0.997 121.496 120.500 -0.002 0.000 2.081 484 R HA -0.052 4.297 4.340 0.015 0.000 0.235 484 R C 1.849 178.117 176.300 -0.053 0.000 1.131 484 R CA 1.083 57.167 56.100 -0.028 0.000 0.960 484 R CB -0.133 30.147 30.300 -0.034 0.000 0.856 484 R HN -0.049 nan 8.270 nan 0.000 0.436 485 V N 0.904 120.792 119.914 -0.043 0.000 2.307 485 V HA -0.186 3.943 4.120 0.015 0.000 0.245 485 V C 2.480 178.550 176.094 -0.040 0.000 1.045 485 V CA 1.896 64.158 62.300 -0.063 0.000 1.024 485 V CB -0.728 31.081 31.823 -0.025 0.000 0.651 485 V HN 0.564 nan 8.190 nan 0.000 0.449 486 A N -0.462 122.350 122.820 -0.013 0.000 1.902 486 A HA -0.231 4.098 4.320 0.015 0.000 0.217 486 A C 2.573 180.160 177.584 0.004 0.000 1.181 486 A CA 2.192 54.232 52.037 0.005 0.000 0.623 486 A CB -0.813 18.196 19.000 0.016 0.000 0.818 486 A HN 0.499 nan 8.150 nan 0.000 0.443 487 S N -0.975 114.723 115.700 -0.004 0.000 2.359 487 S HA -0.236 4.243 4.470 0.015 0.000 0.224 487 S C 2.123 176.719 174.600 -0.007 0.000 1.035 487 S CA 1.764 59.963 58.200 -0.002 0.000 1.018 487 S CB -1.067 62.129 63.200 -0.006 0.000 0.876 487 S HN 0.808 nan 8.310 nan 0.000 0.448 488 C N 1.574 120.854 119.300 -0.034 0.000 2.413 488 C HA 0.013 4.482 4.460 0.015 0.000 0.276 488 C C 2.534 177.509 174.990 -0.025 0.000 1.248 488 C CA 1.066 60.055 59.018 -0.048 0.000 1.742 488 C CB -1.788 25.885 27.740 -0.113 0.000 2.017 488 C HN 0.705 nan 8.230 nan 0.000 0.481 489 L N 0.222 121.435 121.223 -0.017 0.000 2.083 489 L HA -0.101 4.248 4.340 0.015 0.000 0.209 489 L C 3.035 179.910 176.870 0.009 0.000 1.083 489 L CA 1.635 56.479 54.840 0.006 0.000 0.752 489 L CB -0.875 41.209 42.059 0.041 0.000 0.899 489 L HN 0.363 nan 8.230 nan 0.000 0.433 490 R N 0.357 120.871 120.500 0.024 0.000 2.075 490 R HA -0.154 4.195 4.340 0.015 0.000 0.232 490 R C 2.369 178.727 176.300 0.096 0.000 1.126 490 R CA 1.168 57.296 56.100 0.046 0.000 0.963 490 R CB -0.204 30.124 30.300 0.047 0.000 0.858 490 R HN 0.295 nan 8.270 nan 0.000 0.435 491 K N 1.187 121.636 120.400 0.082 0.000 2.026 491 K HA -0.113 4.216 4.320 0.015 0.000 0.208 491 K C 1.856 178.588 176.600 0.220 0.000 1.048 491 K CA 1.242 57.603 56.287 0.124 0.000 0.929 491 K CB -0.004 32.534 32.500 0.064 0.000 0.713 491 K HN 0.134 nan 8.250 nan 0.000 0.439 492 L N -0.114 121.169 121.223 0.100 0.000 2.492 492 L HA 0.092 4.441 4.340 0.015 0.000 0.223 492 L C 0.948 177.707 176.870 -0.185 0.000 1.132 492 L CA 0.537 55.419 54.840 0.069 0.000 0.850 492 L CB -0.017 42.052 42.059 0.017 0.000 0.966 492 L HN 0.624 nan 8.230 nan 0.000 0.454 493 G N 0.763 109.313 108.800 -0.418 0.000 2.225 493 G HA2 -0.232 3.737 3.960 0.015 0.000 0.264 493 G HA3 -0.232 3.737 3.960 0.015 0.000 0.264 493 G C 0.020 174.749 174.900 -0.285 0.000 1.060 493 G CA 0.075 44.711 45.100 -0.775 0.000 0.833 493 G HN 0.106 nan 8.290 nan 0.000 0.498 494 V N 0.843 120.697 119.914 -0.100 0.000 2.607 494 V HA 0.424 4.553 4.120 0.015 0.000 0.289 494 V C -1.248 174.907 176.094 0.102 0.000 1.053 494 V CA -1.500 60.832 62.300 0.053 0.000 0.996 494 V CB 1.552 33.436 31.823 0.101 0.000 0.995 494 V HN 0.177 nan 8.190 nan 0.000 0.476 495 P HA 0.155 nan 4.420 nan 0.000 0.269 495 P C -2.502 174.893 177.300 0.158 0.000 1.209 495 P CA -0.941 62.170 63.100 0.018 0.000 0.776 495 P CB -0.170 31.373 31.700 -0.262 0.000 0.876 496 P HA 0.022 nan 4.420 nan 0.000 0.269 496 P C 0.954 178.370 177.300 0.192 0.000 1.215 496 P CA 0.120 63.287 63.100 0.111 0.000 0.780 496 P CB 0.690 32.414 31.700 0.039 0.000 0.898 497 L N 1.429 122.776 121.223 0.206 0.000 2.081 497 L HA -0.250 4.099 4.340 0.015 0.000 0.212 497 L C 2.871 179.826 176.870 0.141 0.000 1.080 497 L CA 2.047 57.027 54.840 0.232 0.000 0.754 497 L CB -0.899 41.220 42.059 0.100 0.000 0.893 497 L HN 0.490 nan 8.230 nan 0.000 0.433 498 R N -0.587 119.923 120.500 0.016 0.000 2.105 498 R HA -0.138 4.211 4.340 0.015 0.000 0.239 498 R C 1.966 178.020 176.300 -0.411 0.000 1.135 498 R CA 1.846 57.857 56.100 -0.148 0.000 0.967 498 R CB -1.242 28.986 30.300 -0.119 0.000 0.861 498 R HN 0.153 nan 8.270 nan 0.000 0.442 499 T N 0.575 114.972 114.554 -0.263 0.000 2.737 499 T HA -0.116 4.243 4.350 0.015 0.000 0.265 499 T C 1.319 175.851 174.700 -0.281 0.000 1.038 499 T CA 1.636 63.538 62.100 -0.330 0.000 1.144 499 T CB -0.301 68.357 68.868 -0.350 0.000 0.866 499 T HN 0.436 nan 8.240 nan 0.000 0.434 500 W N 1.638 122.942 121.300 0.006 0.000 2.338 500 W HA -0.052 4.617 4.660 0.015 0.000 0.304 500 W C 2.730 179.390 176.519 0.235 0.000 1.212 500 W CA 0.795 58.216 57.345 0.127 0.000 1.264 500 W CB -0.270 29.269 29.460 0.133 0.000 1.142 500 W HN 0.124 nan 8.180 nan 0.000 0.512 501 R N -0.078 120.654 120.500 0.386 0.000 2.091 501 R HA -0.199 4.150 4.340 0.015 0.000 0.238 501 R C 1.827 178.264 176.300 0.229 0.000 1.136 501 R CA 2.194 58.528 56.100 0.389 0.000 0.959 501 R CB -0.721 29.750 30.300 0.283 0.000 0.856 501 R HN 0.376 nan 8.270 nan 0.000 0.437 502 H N -0.938 118.196 119.070 0.108 0.000 2.389 502 H HA -0.034 4.531 4.556 0.015 0.000 0.299 502 H C 2.305 177.625 175.328 -0.012 0.000 1.081 502 H CA 1.235 57.294 56.048 0.017 0.000 1.345 502 H CB 0.087 29.839 29.762 -0.016 0.000 1.393 502 H HN 0.207 nan 8.280 nan 0.000 0.520 503 R N 0.587 121.159 120.500 0.119 0.000 2.092 503 R HA -0.047 4.302 4.340 0.015 0.000 0.231 503 R C 2.592 178.909 176.300 0.028 0.000 1.119 503 R CA 0.858 56.990 56.100 0.053 0.000 0.970 503 R CB -0.108 30.212 30.300 0.033 0.000 0.864 503 R HN 0.259 nan 8.270 nan 0.000 0.440 504 A N 1.283 124.153 122.820 0.083 0.000 1.898 504 A HA -0.145 4.184 4.320 0.015 0.000 0.216 504 A C 2.039 179.416 177.584 -0.346 0.000 1.181 504 A CA 1.048 52.994 52.037 -0.152 0.000 0.620 504 A CB -0.320 18.694 19.000 0.023 0.000 0.819 504 A HN 0.196 nan 8.150 nan 0.000 0.442 505 R N -0.554 119.834 120.500 -0.188 0.000 2.139 505 R HA -0.127 4.222 4.340 0.015 0.000 0.243 505 R C 2.562 178.758 176.300 -0.172 0.000 1.145 505 R CA 1.526 57.520 56.100 -0.176 0.000 0.976 505 R CB -0.348 29.905 30.300 -0.079 0.000 0.866 505 R HN 0.559 nan 8.270 nan 0.000 0.449 506 S N -0.023 115.592 115.700 -0.142 0.000 2.362 506 S HA -0.055 4.424 4.470 0.015 0.000 0.221 506 S C 2.015 176.520 174.600 -0.158 0.000 1.032 506 S CA 0.836 58.964 58.200 -0.120 0.000 0.973 506 S CB -0.028 63.126 63.200 -0.078 0.000 0.849 506 S HN 0.099 nan 8.310 nan 0.000 0.465 507 V N 2.821 122.601 119.914 -0.224 0.000 2.287 507 V HA -0.162 3.967 4.120 0.015 0.000 0.248 507 V C 2.718 178.603 176.094 -0.350 0.000 1.053 507 V CA 2.293 64.427 62.300 -0.276 0.000 1.027 507 V CB -0.819 30.762 31.823 -0.403 0.000 0.646 507 V HN 0.509 nan 8.190 nan 0.000 0.447 508 R N 0.209 120.406 120.500 -0.504 0.000 2.091 508 R HA -0.185 4.164 4.340 0.015 0.000 0.238 508 R C 2.247 178.437 176.300 -0.182 0.000 1.136 508 R CA 1.784 57.657 56.100 -0.378 0.000 0.959 508 R CB -0.412 29.678 30.300 -0.351 0.000 0.856 508 R HN 0.490 nan 8.270 nan 0.000 0.437 509 A N 1.241 123.967 122.820 -0.158 0.000 1.873 509 A HA -0.140 4.188 4.320 0.015 0.000 0.215 509 A C 1.983 179.525 177.584 -0.069 0.000 1.186 509 A CA 1.543 53.521 52.037 -0.097 0.000 0.616 509 A CB -0.306 18.642 19.000 -0.087 0.000 0.823 509 A HN 0.353 nan 8.150 nan 0.000 0.442 510 K N -0.387 119.971 120.400 -0.070 0.000 2.209 510 K HA -0.016 4.313 4.320 0.015 0.000 0.204 510 K C 1.757 178.351 176.600 -0.011 0.000 1.048 510 K CA 1.101 57.367 56.287 -0.035 0.000 0.940 510 K CB -0.313 32.169 32.500 -0.029 0.000 0.729 510 K HN 0.458 nan 8.250 nan 0.000 0.451 511 L N 0.570 121.781 121.223 -0.018 0.000 2.072 511 L HA -0.139 4.210 4.340 0.015 0.000 0.205 511 L C 2.201 179.083 176.870 0.020 0.000 1.079 511 L CA 0.890 55.745 54.840 0.026 0.000 0.752 511 L CB -0.321 41.757 42.059 0.032 0.000 0.906 511 L HN 0.161 nan 8.230 nan 0.000 0.436 512 L N -0.920 120.298 121.223 -0.007 0.000 2.042 512 L HA -0.237 4.112 4.340 0.015 0.000 0.210 512 L C 2.736 179.605 176.870 -0.001 0.000 1.076 512 L CA 1.150 55.987 54.840 -0.006 0.000 0.749 512 L CB -0.679 41.364 42.059 -0.027 0.000 0.893 512 L HN 0.232 nan 8.230 nan 0.000 0.432 513 S N -0.229 115.468 115.700 -0.006 0.000 2.368 513 S HA -0.306 4.173 4.470 0.015 0.000 0.226 513 S C 1.854 176.459 174.600 0.009 0.000 1.044 513 S CA 1.653 59.851 58.200 -0.002 0.000 1.062 513 S CB -0.414 62.783 63.200 -0.005 0.000 0.931 513 S HN 0.513 nan 8.310 nan 0.000 0.440 514 Q N 0.688 120.499 119.800 0.019 0.000 2.364 514 Q HA 0.157 4.506 4.340 0.015 0.000 0.207 514 Q C 1.373 177.391 176.000 0.029 0.000 0.970 514 Q CA 0.383 56.203 55.803 0.028 0.000 0.888 514 Q CB -0.458 28.305 28.738 0.043 0.000 0.951 514 Q HN 0.600 nan 8.270 nan 0.000 0.469 515 G N 0.112 108.928 108.800 0.027 0.000 2.806 515 G HA2 -0.136 3.833 3.960 0.015 0.000 0.236 515 G HA3 -0.136 3.833 3.960 0.015 0.000 0.236 515 G C 0.436 175.358 174.900 0.037 0.000 1.387 515 G CA -0.194 44.922 45.100 0.027 0.000 0.884 515 G HN 0.802 nan 8.290 nan 0.000 0.560 516 G N -1.046 107.775 108.800 0.035 0.000 2.547 516 G HA2 -0.214 3.755 3.960 0.015 0.000 0.271 516 G HA3 -0.214 3.755 3.960 0.015 0.000 0.271 516 G C 1.101 176.029 174.900 0.047 0.000 1.209 516 G CA 1.198 46.321 45.100 0.038 0.000 0.959 516 G HN 1.415 nan 8.290 nan 0.000 0.563 517 R N 0.319 120.851 120.500 0.053 0.000 2.115 517 R HA 0.108 4.457 4.340 0.015 0.000 0.230 517 R C 3.205 179.562 176.300 0.094 0.000 1.111 517 R CA 1.829 57.967 56.100 0.063 0.000 0.976 517 R CB -0.538 29.802 30.300 0.068 0.000 0.870 517 R HN 0.694 nan 8.270 nan 0.000 0.445 518 A N 1.338 124.222 122.820 0.106 0.000 1.902 518 A HA -0.118 4.211 4.320 0.015 0.000 0.217 518 A C 2.372 180.017 177.584 0.101 0.000 1.181 518 A CA 1.671 53.790 52.037 0.136 0.000 0.623 518 A CB -0.561 18.516 19.000 0.127 0.000 0.818 518 A HN 0.382 nan 8.150 nan 0.000 0.443 519 A N -0.925 121.937 122.820 0.071 0.000 1.933 519 A HA -0.089 4.240 4.320 0.015 0.000 0.218 519 A C 2.288 179.912 177.584 0.067 0.000 1.175 519 A CA 2.290 54.358 52.037 0.052 0.000 0.628 519 A CB -1.268 17.754 19.000 0.038 0.000 0.814 519 A HN 0.439 nan 8.150 nan 0.000 0.444 520 T N -0.641 113.962 114.554 0.082 0.000 2.746 520 T HA -0.201 4.158 4.350 0.015 0.000 0.267 520 T C 1.908 176.678 174.700 0.117 0.000 1.039 520 T CA 1.582 63.756 62.100 0.123 0.000 1.142 520 T CB -0.741 68.148 68.868 0.035 0.000 0.866 520 T HN 0.587 nan 8.240 nan 0.000 0.444 521 C N 1.429 120.766 119.300 0.062 0.000 2.413 521 C HA 0.002 4.471 4.460 0.015 0.000 0.276 521 C C 3.110 178.112 174.990 0.020 0.000 1.248 521 C CA 0.495 59.510 59.018 -0.006 0.000 1.742 521 C CB -1.599 26.149 27.740 0.014 0.000 2.017 521 C HN 0.736 nan 8.230 nan 0.000 0.481 522 G N 0.291 109.135 108.800 0.074 0.000 2.446 522 G HA2 -0.221 3.748 3.960 0.015 0.000 0.217 522 G HA3 -0.221 3.748 3.960 0.015 0.000 0.217 522 G C 1.794 176.719 174.900 0.042 0.000 1.168 522 G CA 0.669 45.824 45.100 0.090 0.000 0.771 522 G HN 0.609 nan 8.290 nan 0.000 0.551 523 R N -1.058 119.438 120.500 -0.006 0.000 2.062 523 R HA 0.011 4.360 4.340 0.015 0.000 0.229 523 R C 2.402 178.546 176.300 -0.259 0.000 1.128 523 R CA 1.325 57.343 56.100 -0.136 0.000 0.960 523 R CB -0.448 29.742 30.300 -0.184 0.000 0.855 523 R HN 0.470 nan 8.270 nan 0.000 0.432 524 Y N 0.786 120.915 120.300 -0.284 0.000 2.201 524 Y HA 0.011 4.570 4.550 0.015 0.000 0.292 524 Y C 2.262 177.888 175.900 -0.456 0.000 1.119 524 Y CA 0.813 58.568 58.100 -0.575 0.000 1.127 524 Y CB -0.262 37.597 38.460 -1.002 0.000 1.019 524 Y HN -0.101 nan 8.280 nan 0.000 0.514 525 L N -1.844 119.257 121.223 -0.202 0.000 2.217 525 L HA -0.118 4.231 4.340 0.015 0.000 0.211 525 L C 0.764 177.378 176.870 -0.426 0.000 1.107 525 L CA 1.322 56.001 54.840 -0.268 0.000 0.783 525 L CB -0.326 41.398 42.059 -0.558 0.000 0.919 525 L HN 0.184 nan 8.230 nan 0.000 0.442 526 F N -1.498 118.371 119.950 -0.135 0.000 2.735 526 F HA 0.177 4.713 4.527 0.015 0.000 0.304 526 F C 1.554 177.037 175.800 -0.528 0.000 1.119 526 F CA -0.351 57.370 58.000 -0.465 0.000 1.280 526 F CB -0.229 38.516 39.000 -0.425 0.000 0.994 526 F HN -0.080 nan 8.300 nan 0.000 0.520 527 N N 1.060 119.674 118.700 -0.144 0.000 2.289 527 N HA -0.192 4.557 4.740 0.015 0.000 0.184 527 N C 1.962 177.444 175.510 -0.046 0.000 1.016 527 N CA 1.538 54.529 53.050 -0.097 0.000 0.872 527 N CB -0.173 38.285 38.487 -0.048 0.000 0.973 527 N HN 0.535 nan 8.380 nan 0.000 0.433 528 W N -0.650 120.703 121.300 0.089 0.000 2.468 528 W HA 0.121 4.790 4.660 0.015 0.000 0.262 528 W C 1.096 177.682 176.519 0.111 0.000 1.241 528 W CA 0.650 58.054 57.345 0.099 0.000 1.232 528 W CB -0.711 28.813 29.460 0.106 0.000 1.124 528 W HN 0.033 nan 8.180 nan 0.000 0.597 529 A N 1.323 123.821 122.820 -0.537 0.000 2.238 529 A HA 0.289 4.618 4.320 0.015 0.000 0.210 529 A C 0.770 178.258 177.584 -0.161 0.000 1.179 529 A CA 0.864 52.618 52.037 -0.473 0.000 0.827 529 A CB -0.668 17.799 19.000 -0.889 0.000 0.856 529 A HN 0.130 nan 8.150 nan 0.000 0.488 530 V N -3.678 116.168 119.914 -0.112 0.000 2.769 530 V HA 0.577 4.706 4.120 0.015 0.000 0.312 530 V C 0.850 176.932 176.094 -0.020 0.000 1.061 530 V CA -0.741 61.522 62.300 -0.062 0.000 0.931 530 V CB 1.598 33.370 31.823 -0.085 0.000 1.010 530 V HN 0.336 nan 8.190 nan 0.000 0.433 531 R N 1.681 122.174 120.500 -0.011 0.000 2.062 531 R HA 0.065 4.414 4.340 0.015 0.000 0.226 531 R C 0.894 177.181 176.300 -0.021 0.000 1.125 531 R CA 1.276 57.372 56.100 -0.006 0.000 0.966 531 R CB -0.129 30.171 30.300 0.000 0.000 0.861 531 R HN 0.847 nan 8.270 nan 0.000 0.433 532 T N 2.720 117.258 114.554 -0.027 0.000 3.182 532 T HA 0.129 4.488 4.350 0.015 0.000 0.274 532 T C -0.591 174.083 174.700 -0.042 0.000 0.997 532 T CA 0.154 62.234 62.100 -0.033 0.000 1.082 532 T CB 0.277 69.126 68.868 -0.032 0.000 1.005 532 T HN 0.147 nan 8.240 nan 0.000 0.688 533 K N 2.378 122.753 120.400 -0.042 0.000 2.218 533 K HA 0.342 4.671 4.320 0.015 0.000 0.276 533 K C 0.142 176.703 176.600 -0.065 0.000 1.022 533 K CA -0.717 55.540 56.287 -0.051 0.000 0.946 533 K CB 1.044 33.523 32.500 -0.036 0.000 1.000 533 K HN 0.374 nan 8.250 nan 0.000 0.468 534 L N 2.848 124.015 121.223 -0.093 0.000 2.456 534 L HA 0.007 4.356 4.340 0.015 0.000 0.272 534 L C 0.431 177.229 176.870 -0.119 0.000 1.189 534 L CA 0.294 55.065 54.840 -0.115 0.000 0.846 534 L CB 0.435 42.394 42.059 -0.166 0.000 1.111 534 L HN 0.319 nan 8.230 nan 0.000 0.475 535 K N 4.970 125.311 120.400 -0.099 0.000 2.383 535 K HA 0.251 4.580 4.320 0.015 0.000 0.286 535 K C -0.820 175.703 176.600 -0.129 0.000 1.051 535 K CA 0.113 56.352 56.287 -0.081 0.000 0.974 535 K CB 0.399 32.871 32.500 -0.047 0.000 0.968 535 K HN 0.475 nan 8.250 nan 0.000 0.475 536 L N 4.092 125.246 121.223 -0.116 0.000 2.264 536 L HA 0.202 4.551 4.340 0.015 0.000 0.287 536 L C 0.809 177.695 176.870 0.028 0.000 1.039 536 L CA -0.633 54.105 54.840 -0.170 0.000 0.829 536 L CB 1.058 43.013 42.059 -0.174 0.000 1.211 536 L HN 0.623 nan 8.230 nan 0.000 0.427 537 T N 0.592 115.198 114.554 0.086 0.000 2.934 537 T HA 0.541 4.899 4.350 0.015 0.000 0.283 537 T C -2.550 172.288 174.700 0.230 0.000 1.005 537 T CA -2.284 59.898 62.100 0.137 0.000 1.041 537 T CB 1.443 70.367 68.868 0.094 0.000 1.042 537 T HN 0.156 nan 8.240 nan 0.000 0.505 538 P HA 0.185 nan 4.420 nan 0.000 0.262 538 P C -0.386 176.955 177.300 0.067 0.000 1.182 538 P CA -0.091 63.080 63.100 0.117 0.000 0.761 538 P CB 0.064 31.807 31.700 0.071 0.000 0.795 539 I N 6.216 126.773 120.570 -0.022 0.000 2.471 539 I HA 0.072 4.251 4.170 0.015 0.000 0.286 539 I C -1.135 174.947 176.117 -0.059 0.000 1.079 539 I CA -1.720 59.511 61.300 -0.116 0.000 1.398 539 I CB 0.757 38.566 38.000 -0.319 0.000 1.403 539 I HN 0.314 nan 8.210 nan 0.000 0.530 540 P HA -0.239 nan 4.420 nan 0.000 0.215 540 P C 1.354 178.634 177.300 -0.032 0.000 1.157 540 P CA 1.389 64.475 63.100 -0.022 0.000 0.874 540 P CB 0.223 31.916 31.700 -0.013 0.000 0.790 541 A N -0.616 122.177 122.820 -0.046 0.000 2.066 541 A HA 0.031 4.360 4.320 0.015 0.000 0.218 541 A C 2.224 179.775 177.584 -0.055 0.000 1.157 541 A CA 1.513 53.523 52.037 -0.045 0.000 0.670 541 A CB -1.367 17.607 19.000 -0.045 0.000 0.804 541 A HN 0.183 nan 8.150 nan 0.000 0.453 542 A N -0.034 122.749 122.820 -0.062 0.000 1.849 542 A HA -0.102 4.227 4.320 0.015 0.000 0.217 542 A C 1.800 179.348 177.584 -0.060 0.000 1.202 542 A CA 1.798 53.797 52.037 -0.062 0.000 0.629 542 A CB -0.945 18.027 19.000 -0.046 0.000 0.834 542 A HN 0.437 nan 8.150 nan 0.000 0.447 543 S N 0.007 115.681 115.700 -0.043 0.000 3.811 543 S HA 0.336 4.815 4.470 0.015 0.000 0.205 543 S C 0.462 175.038 174.600 -0.039 0.000 1.445 543 S CA 0.180 58.356 58.200 -0.039 0.000 1.097 543 S CB -0.171 63.015 63.200 -0.023 0.000 1.350 543 S HN 0.604 nan 8.310 nan 0.000 0.471 544 Q N -0.068 119.702 119.800 -0.050 0.000 1.812 544 Q HA 0.183 4.532 4.340 0.015 0.000 0.196 544 Q C 0.024 175.991 176.000 -0.054 0.000 0.679 544 Q CA -0.065 55.712 55.803 -0.043 0.000 0.793 544 Q CB 0.388 29.106 28.738 -0.033 0.000 1.215 544 Q HN 0.664 nan 8.270 nan 0.000 0.412 545 L N 0.355 121.532 121.223 -0.078 0.000 2.350 545 L HA 0.556 4.905 4.340 0.015 0.000 0.275 545 L C -0.239 176.553 176.870 -0.130 0.000 1.099 545 L CA -0.567 54.215 54.840 -0.097 0.000 0.808 545 L CB 0.825 42.813 42.059 -0.119 0.000 1.149 545 L HN -0.142 nan 8.230 nan 0.000 0.442 546 D N 3.664 124.002 120.400 -0.104 0.000 2.359 546 D HA 0.171 4.820 4.640 0.015 0.000 0.250 546 D C 0.054 176.238 176.300 -0.194 0.000 1.264 546 D CA 0.050 53.990 54.000 -0.101 0.000 0.911 546 D CB 0.928 41.706 40.800 -0.036 0.000 1.056 546 D HN 0.532 nan 8.370 nan 0.000 0.499 547 L N 3.027 124.080 121.223 -0.284 0.000 2.965 547 L HA 0.082 4.431 4.340 0.015 0.000 0.254 547 L C 2.056 178.802 176.870 -0.208 0.000 1.220 547 L CA 0.157 54.667 54.840 -0.549 0.000 1.023 547 L CB -0.167 41.512 42.059 -0.634 0.000 1.355 547 L HN 0.356 nan 8.230 nan 0.000 0.545 548 S N -1.843 113.824 115.700 -0.054 0.000 2.368 548 S HA -0.058 4.421 4.470 0.015 0.000 0.224 548 S C 1.790 176.450 174.600 0.100 0.000 1.029 548 S CA 1.010 59.225 58.200 0.024 0.000 0.988 548 S CB -0.540 62.668 63.200 0.013 0.000 0.838 548 S HN 0.376 nan 8.310 nan 0.000 0.462 549 G N -1.064 107.826 108.800 0.150 0.000 2.985 549 G HA2 0.161 4.130 3.960 0.015 0.000 0.209 549 G HA3 0.161 4.130 3.960 0.015 0.000 0.209 549 G C 0.688 175.770 174.900 0.304 0.000 1.165 549 G CA -0.252 44.940 45.100 0.153 0.000 0.776 549 G HN 0.479 nan 8.290 nan 0.000 0.541 550 W N 0.525 121.762 121.300 -0.105 0.000 2.409 550 W HA 0.276 4.945 4.660 0.016 0.000 0.299 550 W C 0.515 176.635 176.519 -0.666 0.000 1.203 550 W CA 0.344 57.394 57.345 -0.492 0.000 1.298 550 W CB -0.219 28.688 29.460 -0.921 0.000 1.127 550 W HN 0.109 nan 8.180 nan 0.000 0.528 551 F N -0.827 119.336 119.950 0.354 0.000 2.542 551 F HA 0.273 4.809 4.527 0.015 0.000 0.323 551 F C 0.518 176.465 175.800 0.245 0.000 1.411 551 F CA -0.349 57.846 58.000 0.326 0.000 1.124 551 F CB 0.047 39.190 39.000 0.238 0.000 1.331 551 F HN -0.411 nan 8.300 nan 0.000 0.560 552 V N 0.059 120.192 119.914 0.365 0.000 2.911 552 V HA 0.553 4.682 4.120 0.015 0.000 0.237 552 V C 0.875 177.119 176.094 0.250 0.000 1.156 552 V CA 0.584 63.038 62.300 0.257 0.000 1.180 552 V CB 0.556 32.513 31.823 0.224 0.000 0.932 552 V HN 0.405 nan 8.190 nan 0.000 0.483 553 A N -0.601 122.342 122.820 0.205 0.000 2.609 553 A HA 0.771 5.100 4.320 0.015 0.000 0.291 553 A C -0.239 177.050 177.584 -0.491 0.000 1.096 553 A CA 0.084 52.087 52.037 -0.057 0.000 0.684 553 A CB 1.087 19.891 19.000 -0.326 0.000 1.282 553 A HN 0.391 nan 8.150 nan 0.000 0.412 554 G N -1.162 107.051 108.800 -0.978 0.000 2.395 554 G HA2 0.526 4.495 3.960 0.015 0.000 0.283 554 G HA3 0.526 4.495 3.960 0.015 0.000 0.283 554 G C -0.752 173.491 174.900 -1.095 0.000 1.178 554 G CA -0.033 44.115 45.100 -1.587 0.000 0.837 554 G HN 0.622 nan 8.290 nan 0.000 0.518 555 Y N 0.835 120.921 120.300 -0.356 0.000 2.779 555 Y HA 0.279 4.838 4.550 0.015 0.000 0.251 555 Y C 1.387 177.210 175.900 -0.129 0.000 1.145 555 Y CA -0.634 57.358 58.100 -0.179 0.000 1.201 555 Y CB 0.604 38.990 38.460 -0.124 0.000 1.281 555 Y HN 0.524 nan 8.280 nan 0.000 0.563 556 S N 0.851 116.522 115.700 -0.049 0.000 2.575 556 S HA 0.310 4.789 4.470 0.015 0.000 0.295 556 S C 1.401 176.025 174.600 0.040 0.000 1.267 556 S CA 1.487 59.695 58.200 0.013 0.000 1.074 556 S CB 0.055 63.268 63.200 0.021 0.000 0.829 556 S HN 1.037 nan 8.310 nan 0.000 0.497 557 G N 3.402 112.233 108.800 0.051 0.000 2.176 557 G HA2 -0.203 3.766 3.960 0.015 0.000 0.253 557 G HA3 -0.203 3.766 3.960 0.015 0.000 0.253 557 G C 0.746 175.686 174.900 0.067 0.000 0.979 557 G CA 0.297 45.434 45.100 0.063 0.000 0.641 557 G HN 1.367 nan 8.290 nan 0.000 0.530 558 G N -0.254 108.587 108.800 0.069 0.000 3.088 558 G HA2 0.412 4.381 3.960 0.015 0.000 0.217 558 G HA3 0.412 4.381 3.960 0.015 0.000 0.217 558 G C 0.433 175.356 174.900 0.039 0.000 1.159 558 G CA 1.122 46.276 45.100 0.089 0.000 0.760 558 G HN 1.142 nan 8.290 nan 0.000 0.550 559 D N -0.330 120.063 120.400 -0.011 0.000 2.705 559 D HA -0.158 4.491 4.640 0.015 0.000 0.240 559 D C -0.209 176.023 176.300 -0.114 0.000 1.137 559 D CA 0.378 54.338 54.000 -0.066 0.000 0.677 559 D CB -1.178 39.595 40.800 -0.046 0.000 1.049 559 D HN 0.110 nan 8.370 nan 0.000 0.427 560 I N 1.434 121.906 120.570 -0.163 0.000 2.433 560 I HA 0.380 4.559 4.170 0.015 0.000 0.292 560 I C -0.223 175.675 176.117 -0.364 0.000 1.001 560 I CA -0.795 60.318 61.300 -0.312 0.000 1.119 560 I CB 1.396 39.084 38.000 -0.520 0.000 1.289 560 I HN 0.107 nan 8.210 nan 0.000 0.438 561 Y N 5.749 125.752 120.300 -0.495 0.000 2.391 561 Y HA 0.460 5.018 4.550 0.015 0.000 0.341 561 Y C -0.886 174.769 175.900 -0.407 0.000 0.965 561 Y CA -0.525 57.298 58.100 -0.462 0.000 1.067 561 Y CB 1.334 39.604 38.460 -0.316 0.000 1.199 561 Y HN 0.547 nan 8.280 nan 0.000 0.450 562 H N 3.589 122.021 119.070 -1.063 0.000 2.539 562 H HA 0.373 4.938 4.556 0.015 0.000 0.332 562 H C -0.406 174.441 175.328 -0.802 0.000 1.031 562 H CA -0.815 54.735 56.048 -0.829 0.000 1.206 562 H CB 1.899 31.108 29.762 -0.921 0.000 1.446 562 H HN 0.659 nan 8.280 nan 0.000 0.496 563 S N 0.000 115.527 115.700 -0.288 0.000 2.498 563 S HA 0.000 4.479 4.470 0.015 0.000 0.327 563 S CA 0.000 58.110 58.200 -0.150 0.000 1.107 563 S CB 0.000 63.209 63.200 0.015 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517