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 2xhv_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 FVAGYKGGDI 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 0.000 174.552 174.600 -0.080 0.000 1.055 1 S CA 0.000 58.164 58.200 -0.059 0.000 1.107 1 S CB 0.000 63.156 63.200 -0.074 0.000 0.593 2 M N 3.015 122.560 119.600 -0.091 0.000 2.219 2 M HA 0.257 4.744 4.480 0.012 0.000 0.353 2 M C 1.911 178.074 176.300 -0.229 0.000 1.304 2 M CA 0.033 55.259 55.300 -0.123 0.000 1.115 2 M CB 0.597 33.148 32.600 -0.082 0.000 1.664 2 M HN 1.061 nan 8.290 nan 0.000 0.459 3 S N 3.029 118.512 115.700 -0.361 0.000 2.387 3 S HA -0.125 4.351 4.470 0.012 0.000 0.230 3 S C 0.189 174.361 174.600 -0.713 0.000 1.035 3 S CA 1.089 58.964 58.200 -0.543 0.000 1.014 3 S CB -0.247 62.539 63.200 -0.688 0.000 0.836 3 S HN 0.656 nan 8.310 nan 0.000 0.466 4 Y N -0.228 119.883 120.300 -0.316 0.000 2.562 4 Y HA 0.570 5.123 4.550 0.005 0.000 0.345 4 Y C -0.132 175.430 175.900 -0.564 0.000 1.045 4 Y CA -1.019 56.765 58.100 -0.528 0.000 1.028 4 Y CB 2.144 40.102 38.460 -0.836 0.000 1.297 4 Y HN -0.148 nan 8.280 nan 0.000 0.463 5 T N 1.514 115.801 114.554 -0.446 0.000 2.863 5 T HA 0.432 4.788 4.350 0.012 0.000 0.285 5 T C -1.398 173.028 174.700 -0.457 0.000 1.009 5 T CA -0.770 61.128 62.100 -0.337 0.000 0.989 5 T CB 0.648 69.442 68.868 -0.123 0.000 1.004 5 T HN 0.458 nan 8.240 nan 0.000 0.455 6 W N 1.026 122.380 121.300 0.090 0.000 2.736 6 W HA 0.397 5.060 4.660 0.004 0.000 0.335 6 W C 1.455 178.002 176.519 0.047 0.000 1.059 6 W CA -0.959 56.423 57.345 0.062 0.000 1.226 6 W CB 1.252 30.732 29.460 0.034 0.000 1.416 6 W HN 0.783 nan 8.180 nan 0.000 0.505 7 T N -2.105 112.622 114.554 0.290 0.000 3.035 7 T HA 0.299 4.655 4.350 0.012 0.000 0.259 7 T C 1.460 176.244 174.700 0.140 0.000 1.078 7 T CA 1.002 63.203 62.100 0.168 0.000 1.132 7 T CB 0.024 68.970 68.868 0.131 0.000 0.900 7 T HN 1.151 nan 8.240 nan 0.000 0.480 8 G N 1.250 110.141 108.800 0.152 0.000 2.253 8 G HA2 0.052 4.019 3.960 0.012 0.000 0.209 8 G HA3 0.052 4.019 3.960 0.012 0.000 0.209 8 G C 0.383 175.310 174.900 0.045 0.000 0.997 8 G CA -0.144 45.002 45.100 0.077 0.000 0.640 8 G HN 1.089 nan 8.290 nan 0.000 0.496 9 A N 1.042 123.901 122.820 0.065 0.000 2.498 9 A HA 0.605 4.932 4.320 0.012 0.000 0.239 9 A C 0.781 178.374 177.584 0.015 0.000 1.068 9 A CA 0.306 52.368 52.037 0.042 0.000 0.766 9 A CB 0.135 19.169 19.000 0.057 0.000 1.003 9 A HN 0.895 nan 8.150 nan 0.000 0.497 10 L N 2.053 123.271 121.223 -0.008 0.000 2.418 10 L HA 0.279 4.626 4.340 0.012 0.000 0.265 10 L C 0.131 176.980 176.870 -0.035 0.000 1.143 10 L CA -0.365 54.450 54.840 -0.042 0.000 0.809 10 L CB 0.715 42.753 42.059 -0.035 0.000 1.124 10 L HN 0.557 nan 8.230 nan 0.000 0.456 11 I N 1.923 122.450 120.570 -0.072 0.000 2.505 11 I HA 0.044 4.221 4.170 0.012 0.000 0.287 11 I C 0.517 176.621 176.117 -0.023 0.000 1.104 11 I CA 0.125 61.398 61.300 -0.045 0.000 1.387 11 I CB 0.503 38.456 38.000 -0.079 0.000 1.404 11 I HN 0.661 nan 8.210 nan 0.000 0.528 12 T N 5.068 119.622 114.554 -0.001 0.000 2.925 12 T HA 0.585 4.942 4.350 0.012 0.000 0.285 12 T C -2.476 172.237 174.700 0.021 0.000 1.021 12 T CA -2.084 60.021 62.100 0.007 0.000 1.042 12 T CB 1.817 70.690 68.868 0.008 0.000 1.037 12 T HN 0.274 nan 8.240 nan 0.000 0.481 13 P HA 0.275 nan 4.420 nan 0.000 0.276 13 P C 0.583 177.905 177.300 0.036 0.000 1.244 13 P CA -0.768 62.354 63.100 0.037 0.000 0.801 13 P CB 0.695 32.417 31.700 0.037 0.000 1.006 14 C N -0.318 119.009 119.300 0.044 0.000 2.778 14 C HA 0.839 5.305 4.460 0.012 0.000 0.294 14 C C 0.492 175.503 174.990 0.035 0.000 1.331 14 C CA -0.369 58.672 59.018 0.038 0.000 1.741 14 C CB -1.403 26.365 27.740 0.047 0.000 2.106 14 C HN 0.729 nan 8.230 nan 0.000 0.603 15 A N -0.038 122.805 122.820 0.038 0.000 2.522 15 A HA 0.716 5.043 4.320 0.012 0.000 0.294 15 A C -0.307 177.303 177.584 0.044 0.000 1.001 15 A CA -0.020 52.040 52.037 0.037 0.000 0.642 15 A CB -0.572 18.451 19.000 0.039 0.000 1.326 15 A HN 1.717 nan 8.150 nan 0.000 0.435 16 A N 0.375 123.221 122.820 0.043 0.000 2.587 16 A HA 0.453 4.780 4.320 0.012 0.000 0.235 16 A C 0.155 177.780 177.584 0.068 0.000 1.044 16 A CA 0.901 52.968 52.037 0.051 0.000 0.754 16 A CB -0.326 18.702 19.000 0.047 0.000 0.968 16 A HN 0.624 nan 8.150 nan 0.000 0.509 17 E N 1.544 121.791 120.200 0.077 0.000 2.158 17 E HA 0.307 4.664 4.350 0.012 0.000 0.271 17 E C -0.823 175.857 176.600 0.134 0.000 0.911 17 E CA -0.750 55.710 56.400 0.100 0.000 0.767 17 E CB 1.306 31.057 29.700 0.085 0.000 1.120 17 E HN 0.623 nan 8.360 nan 0.000 0.405 18 E N 1.273 121.589 120.200 0.194 0.000 2.283 18 E HA 0.114 4.470 4.350 0.012 0.000 0.278 18 E C 0.259 177.077 176.600 0.363 0.000 1.027 18 E CA -0.087 56.480 56.400 0.277 0.000 0.843 18 E CB 1.620 31.532 29.700 0.353 0.000 1.062 18 E HN 0.594 nan 8.360 nan 0.000 0.401 19 S N 1.500 117.412 115.700 0.353 0.000 2.589 19 S HA 0.186 4.663 4.470 0.012 0.000 0.235 19 S C 0.498 175.381 174.600 0.471 0.000 1.051 19 S CA -0.313 58.098 58.200 0.353 0.000 0.978 19 S CB 0.706 64.043 63.200 0.228 0.000 0.929 19 S HN 0.095 nan 8.310 nan 0.000 0.523 20 K N 1.514 122.172 120.400 0.430 0.000 2.259 20 K HA 0.502 4.829 4.320 0.012 0.000 0.252 20 K C -1.098 175.625 176.600 0.205 0.000 0.936 20 K CA -0.851 55.647 56.287 0.350 0.000 0.810 20 K CB 2.151 34.776 32.500 0.208 0.000 1.143 20 K HN 0.252 nan 8.250 nan 0.000 0.427 21 L N 4.328 125.690 121.223 0.232 0.000 2.455 21 L HA 0.202 4.549 4.340 0.012 0.000 0.272 21 L C -2.223 174.576 176.870 -0.119 0.000 1.174 21 L CA -0.870 53.944 54.840 -0.044 0.000 0.869 21 L CB 0.106 42.271 42.059 0.177 0.000 1.130 21 L HN 0.397 nan 8.230 nan 0.000 0.474 22 P HA 0.194 nan 4.420 nan 0.000 0.272 22 P C -0.825 176.346 177.300 -0.216 0.000 1.230 22 P CA -0.031 62.941 63.100 -0.213 0.000 0.788 22 P CB 0.436 31.996 31.700 -0.235 0.000 0.949 23 I N 2.396 122.821 120.570 -0.242 0.000 2.291 23 I HA 0.254 4.431 4.170 0.012 0.000 0.292 23 I C 0.491 176.513 176.117 -0.158 0.000 1.064 23 I CA 0.074 61.203 61.300 -0.284 0.000 1.269 23 I CB -0.078 37.727 38.000 -0.325 0.000 1.418 23 I HN 0.272 nan 8.210 nan 0.000 0.485 24 N N 8.357 126.986 118.700 -0.118 0.000 2.369 24 N HA 0.337 5.084 4.740 0.012 0.000 0.287 24 N C -2.395 173.088 175.510 -0.046 0.000 1.067 24 N CA -1.734 51.270 53.050 -0.076 0.000 0.888 24 N CB 3.022 41.463 38.487 -0.078 0.000 1.616 24 N HN 0.019 nan 8.380 nan 0.000 0.482 25 P HA -0.032 nan 4.420 nan 0.000 0.216 25 P C 1.572 178.869 177.300 -0.005 0.000 1.150 25 P CA 0.995 64.083 63.100 -0.020 0.000 0.837 25 P CB 0.564 32.251 31.700 -0.021 0.000 0.786 26 L N -0.580 120.642 121.223 -0.002 0.000 2.027 26 L HA -0.136 4.211 4.340 0.012 0.000 0.206 26 L C 2.522 179.441 176.870 0.081 0.000 1.074 26 L CA 2.125 56.979 54.840 0.024 0.000 0.745 26 L CB -1.194 40.863 42.059 -0.003 0.000 0.898 26 L HN 0.102 nan 8.230 nan 0.000 0.433 27 S N -0.667 115.057 115.700 0.040 0.000 2.406 27 S HA -0.171 4.306 4.470 0.012 0.000 0.228 27 S C 1.666 176.278 174.600 0.020 0.000 1.020 27 S CA 1.287 59.505 58.200 0.031 0.000 0.965 27 S CB -0.645 62.559 63.200 0.006 0.000 0.798 27 S HN 0.377 nan 8.310 nan 0.000 0.488 28 N N 2.353 121.063 118.700 0.017 0.000 2.289 28 N HA -0.106 4.641 4.740 0.012 0.000 0.184 28 N C 1.713 177.232 175.510 0.016 0.000 1.016 28 N CA 1.374 54.438 53.050 0.023 0.000 0.872 28 N CB -0.369 38.125 38.487 0.012 0.000 0.973 28 N HN 0.614 nan 8.380 nan 0.000 0.433 29 S N -1.034 114.678 115.700 0.020 0.000 2.522 29 S HA -0.030 4.447 4.470 0.012 0.000 0.227 29 S C 1.657 176.270 174.600 0.022 0.000 0.986 29 S CA 0.286 58.486 58.200 -0.000 0.000 0.929 29 S CB -0.145 63.055 63.200 0.000 0.000 0.769 29 S HN 0.341 nan 8.310 nan 0.000 0.529 30 L N 0.128 121.376 121.223 0.041 0.000 2.221 30 L HA 0.577 4.924 4.340 0.012 0.000 0.202 30 L C 0.218 177.133 176.870 0.075 0.000 1.074 30 L CA 0.920 55.802 54.840 0.070 0.000 0.795 30 L CB 0.164 41.997 42.059 -0.377 0.000 0.960 30 L HN 0.479 nan 8.230 nan 0.000 0.458 31 L N -0.358 120.876 121.223 0.018 0.000 2.541 31 L HA 0.385 4.732 4.340 0.012 0.000 0.266 31 L C 0.516 177.402 176.870 0.028 0.000 0.966 31 L CA -0.327 54.522 54.840 0.014 0.000 0.871 31 L CB 1.287 43.363 42.059 0.028 0.000 1.232 31 L HN 0.001 nan 8.230 nan 0.000 0.408 32 R N 1.264 121.743 120.500 -0.036 0.000 2.173 32 R HA 0.129 4.476 4.340 0.012 0.000 0.208 32 R C 0.076 176.460 176.300 0.139 0.000 1.035 32 R CA 0.395 56.511 56.100 0.026 0.000 1.004 32 R CB 0.120 30.392 30.300 -0.046 0.000 0.917 32 R HN 0.648 nan 8.270 nan 0.000 0.462 33 H N 1.387 120.482 119.070 0.042 0.000 2.799 33 H HA 0.027 4.590 4.556 0.011 0.000 0.225 33 H C 1.107 176.410 175.328 -0.043 0.000 1.904 33 H CA -0.438 55.587 56.048 -0.038 0.000 1.344 33 H CB 0.052 29.803 29.762 -0.018 0.000 1.744 33 H HN 0.377 nan 8.280 nan 0.000 0.542 34 H N 0.408 119.575 119.070 0.162 0.000 2.456 34 H HA -0.125 4.438 4.556 0.011 0.000 0.296 34 H C 0.696 176.110 175.328 0.143 0.000 1.079 34 H CA 1.058 57.182 56.048 0.127 0.000 1.322 34 H CB -0.071 29.740 29.762 0.081 0.000 1.388 34 H HN 0.515 nan 8.280 nan 0.000 0.538 35 N N 0.391 118.965 118.700 -0.211 0.000 2.520 35 N HA -0.010 4.737 4.740 0.012 0.000 0.185 35 N C 1.513 177.069 175.510 0.076 0.000 1.068 35 N CA 0.602 53.636 53.050 -0.028 0.000 0.911 35 N CB -0.002 38.404 38.487 -0.135 0.000 0.961 35 N HN 0.355 nan 8.380 nan 0.000 0.446 36 M N 0.173 119.832 119.600 0.099 0.000 2.558 36 M HA 0.056 4.543 4.480 0.012 0.000 0.255 36 M C -0.174 176.275 176.300 0.247 0.000 1.113 36 M CA 0.432 55.823 55.300 0.151 0.000 1.097 36 M CB 0.582 33.263 32.600 0.135 0.000 1.426 36 M HN -0.132 nan 8.290 nan 0.000 0.488 37 V N 1.160 121.232 119.914 0.265 0.000 2.427 37 V HA 0.311 4.438 4.120 0.012 0.000 0.286 37 V C -0.730 175.600 176.094 0.394 0.000 1.034 37 V CA -0.720 61.752 62.300 0.285 0.000 0.893 37 V CB 0.515 32.505 31.823 0.278 0.000 0.982 37 V HN 0.310 nan 8.190 nan 0.000 0.452 38 Y N 2.662 123.082 120.300 0.200 0.000 2.615 38 Y HA 0.929 5.485 4.550 0.011 0.000 0.341 38 Y C -0.402 175.493 175.900 -0.008 0.000 1.089 38 Y CA -1.388 56.820 58.100 0.179 0.000 1.049 38 Y CB 1.728 40.275 38.460 0.145 0.000 1.296 38 Y HN 0.669 nan 8.280 nan 0.000 0.470 39 A N 1.510 124.305 122.820 -0.043 0.000 2.350 39 A HA 0.660 4.987 4.320 0.012 0.000 0.324 39 A C -0.096 177.537 177.584 0.082 0.000 1.118 39 A CA -0.407 51.439 52.037 -0.318 0.000 0.783 39 A CB 0.525 19.115 19.000 -0.683 0.000 1.236 39 A HN 1.042 nan 8.150 nan 0.000 0.457 40 T N 0.080 114.683 114.554 0.082 0.000 2.900 40 T HA 0.536 4.893 4.350 0.012 0.000 0.307 40 T C 0.447 175.205 174.700 0.097 0.000 1.065 40 T CA 0.459 62.670 62.100 0.186 0.000 1.105 40 T CB 0.704 69.694 68.868 0.204 0.000 0.979 40 T HN 1.553 nan 8.240 nan 0.000 0.544 41 T N -2.330 112.283 114.554 0.099 0.000 2.778 41 T HA 0.484 4.841 4.350 0.012 0.000 0.293 41 T C 1.314 176.044 174.700 0.051 0.000 1.144 41 T CA -0.220 61.922 62.100 0.071 0.000 1.010 41 T CB 1.176 70.090 68.868 0.078 0.000 1.325 41 T HN 0.791 nan 8.240 nan 0.000 0.515 42 S N -0.143 115.580 115.700 0.038 0.000 2.507 42 S HA -0.076 4.401 4.470 0.012 0.000 0.235 42 S C 1.713 176.314 174.600 0.001 0.000 0.988 42 S CA 0.308 58.518 58.200 0.016 0.000 0.944 42 S CB -0.683 62.526 63.200 0.014 0.000 0.762 42 S HN 0.715 nan 8.310 nan 0.000 0.526 43 R N 1.526 122.034 120.500 0.014 0.000 2.193 43 R HA -0.005 4.342 4.340 0.012 0.000 0.229 43 R C 2.104 178.397 176.300 -0.011 0.000 1.110 43 R CA 1.371 57.473 56.100 0.003 0.000 0.988 43 R CB -0.383 29.926 30.300 0.015 0.000 0.871 43 R HN 0.715 nan 8.270 nan 0.000 0.458 44 S N -0.837 114.861 115.700 -0.004 0.000 2.557 44 S HA 0.246 4.723 4.470 0.012 0.000 0.223 44 S C 1.777 176.355 174.600 -0.037 0.000 0.969 44 S CA 0.113 58.304 58.200 -0.015 0.000 0.927 44 S CB 0.876 64.080 63.200 0.007 0.000 0.806 44 S HN 0.255 nan 8.310 nan 0.000 0.489 45 A N 2.827 125.616 122.820 -0.051 0.000 1.940 45 A HA -0.096 4.231 4.320 0.012 0.000 0.219 45 A C 2.479 179.968 177.584 -0.158 0.000 1.176 45 A CA 2.037 54.019 52.037 -0.092 0.000 0.631 45 A CB -1.326 17.612 19.000 -0.103 0.000 0.814 45 A HN 0.892 nan 8.150 nan 0.000 0.446 46 S N -0.517 115.089 115.700 -0.157 0.000 2.402 46 S HA -0.093 4.384 4.470 0.012 0.000 0.229 46 S C 1.650 176.161 174.600 -0.149 0.000 1.021 46 S CA 1.436 59.516 58.200 -0.200 0.000 0.974 46 S CB -0.521 62.581 63.200 -0.162 0.000 0.800 46 S HN 0.231 nan 8.310 nan 0.000 0.484 47 L N 1.748 122.916 121.223 -0.092 0.000 2.046 47 L HA 0.120 4.467 4.340 0.012 0.000 0.208 47 L C 2.844 179.688 176.870 -0.044 0.000 1.077 47 L CA 1.629 56.436 54.840 -0.056 0.000 0.747 47 L CB -1.140 40.897 42.059 -0.038 0.000 0.896 47 L HN 0.307 nan 8.230 nan 0.000 0.432 48 R N -0.127 120.341 120.500 -0.053 0.000 2.075 48 R HA -0.136 4.211 4.340 0.012 0.000 0.232 48 R C 2.240 178.516 176.300 -0.039 0.000 1.126 48 R CA 1.453 57.538 56.100 -0.025 0.000 0.963 48 R CB -0.421 29.867 30.300 -0.020 0.000 0.858 48 R HN 0.441 nan 8.270 nan 0.000 0.435 49 Q N 0.109 119.812 119.800 -0.161 0.000 2.112 49 Q HA -0.231 4.116 4.340 0.012 0.000 0.206 49 Q C 2.024 178.011 176.000 -0.021 0.000 0.987 49 Q CA 2.140 57.794 55.803 -0.248 0.000 0.858 49 Q CB -0.224 28.071 28.738 -0.738 0.000 0.905 49 Q HN 0.326 nan 8.270 nan 0.000 0.420 50 K N 1.135 121.516 120.400 -0.030 0.000 2.026 50 K HA -0.208 4.119 4.320 0.012 0.000 0.208 50 K C 2.076 178.761 176.600 0.142 0.000 1.048 50 K CA 1.355 57.679 56.287 0.062 0.000 0.929 50 K CB -0.014 32.499 32.500 0.022 0.000 0.713 50 K HN -0.024 nan 8.250 nan 0.000 0.439 51 K N 0.622 121.093 120.400 0.118 0.000 2.057 51 K HA -0.104 4.223 4.320 0.012 0.000 0.207 51 K C 1.754 178.540 176.600 0.311 0.000 1.049 51 K CA 1.591 57.976 56.287 0.163 0.000 0.931 51 K CB 0.062 32.628 32.500 0.109 0.000 0.714 51 K HN 0.223 nan 8.250 nan 0.000 0.440 52 V N -1.310 118.791 119.914 0.312 0.000 3.623 52 V HA 0.102 4.229 4.120 0.012 0.000 0.271 52 V C 0.156 176.498 176.094 0.413 0.000 1.248 52 V CA 0.223 62.778 62.300 0.425 0.000 1.156 52 V CB 0.103 32.125 31.823 0.331 0.000 0.870 52 V HN 0.008 nan 8.190 nan 0.000 0.453 53 T N 4.307 119.118 114.554 0.429 0.000 2.770 53 T HA 0.732 5.089 4.350 0.012 0.000 0.297 53 T C -0.786 174.107 174.700 0.321 0.000 0.997 53 T CA -0.059 62.242 62.100 0.336 0.000 0.949 53 T CB 0.328 69.485 68.868 0.482 0.000 0.941 53 T HN 0.633 nan 8.240 nan 0.000 0.457 54 F N -0.280 119.764 119.950 0.155 0.000 2.741 54 F HA 0.620 5.153 4.527 0.009 0.000 0.311 54 F C -1.204 174.626 175.800 0.051 0.000 1.149 54 F CA -1.611 56.444 58.000 0.092 0.000 0.930 54 F CB 0.662 39.709 39.000 0.079 0.000 1.312 54 F HN 0.163 nan 8.300 nan 0.000 0.450 55 D N 1.225 121.783 120.400 0.262 0.000 2.350 55 D HA 0.393 5.040 4.640 0.012 0.000 0.249 55 D C -0.543 175.904 176.300 0.245 0.000 1.119 55 D CA 0.033 54.119 54.000 0.144 0.000 0.886 55 D CB 0.877 41.737 40.800 0.100 0.000 1.195 55 D HN 0.528 nan 8.370 nan 0.000 0.437 56 R N 1.687 122.264 120.500 0.127 0.000 2.404 56 R HA 0.506 4.853 4.340 0.012 0.000 0.291 56 R C -0.730 175.619 176.300 0.082 0.000 1.025 56 R CA -0.757 55.435 56.100 0.153 0.000 0.991 56 R CB 0.798 31.139 30.300 0.067 0.000 1.053 56 R HN 0.374 nan 8.270 nan 0.000 0.479 57 L N 1.749 123.016 121.223 0.074 0.000 2.296 57 L HA 0.483 4.829 4.340 0.012 0.000 0.286 57 L C -1.101 175.776 176.870 0.013 0.000 1.023 57 L CA 0.121 54.977 54.840 0.028 0.000 0.812 57 L CB 1.374 43.442 42.059 0.015 0.000 1.223 57 L HN 0.646 nan 8.230 nan 0.000 0.421 58 Q N 4.230 124.026 119.800 -0.006 0.000 2.268 58 Q HA 0.688 5.035 4.340 0.012 0.000 0.266 58 Q C -2.030 173.949 176.000 -0.035 0.000 1.006 58 Q CA -0.750 55.043 55.803 -0.018 0.000 0.824 58 Q CB 2.216 30.934 28.738 -0.032 0.000 1.306 58 Q HN 0.667 nan 8.270 nan 0.000 0.424 59 V N 2.198 122.096 119.914 -0.028 0.000 2.569 59 V HA 0.611 4.738 4.120 0.012 0.000 0.301 59 V C -0.687 175.402 176.094 -0.008 0.000 1.044 59 V CA -0.841 61.437 62.300 -0.036 0.000 0.874 59 V CB 1.226 33.027 31.823 -0.037 0.000 1.002 59 V HN 0.702 nan 8.190 nan 0.000 0.424 60 L N 4.387 125.565 121.223 -0.076 0.000 2.343 60 L HA 0.807 5.154 4.340 0.012 0.000 0.275 60 L C -0.137 176.748 176.870 0.025 0.000 1.056 60 L CA -0.353 54.413 54.840 -0.124 0.000 0.804 60 L CB 1.708 43.513 42.059 -0.424 0.000 1.203 60 L HN 0.942 nan 8.230 nan 0.000 0.440 61 D N -1.068 119.423 120.400 0.152 0.000 2.758 61 D HA 0.186 4.833 4.640 0.012 0.000 0.279 61 D C 0.034 176.412 176.300 0.131 0.000 1.111 61 D CA -0.566 53.509 54.000 0.125 0.000 1.109 61 D CB 0.618 41.500 40.800 0.136 0.000 1.428 61 D HN 0.273 nan 8.370 nan 0.000 0.586 62 D N -1.196 119.221 120.400 0.028 0.000 2.144 62 D HA -0.132 4.515 4.640 0.012 0.000 0.200 62 D C 1.752 178.065 176.300 0.021 0.000 0.978 62 D CA 1.181 55.170 54.000 -0.018 0.000 0.833 62 D CB -0.246 40.484 40.800 -0.117 0.000 0.961 62 D HN 0.394 nan 8.370 nan 0.000 0.470 63 H N -0.585 118.560 119.070 0.126 0.000 2.352 63 H HA -0.165 4.398 4.556 0.011 0.000 0.299 63 H C 2.015 177.404 175.328 0.102 0.000 1.097 63 H CA 1.140 57.258 56.048 0.116 0.000 1.311 63 H CB -0.733 29.119 29.762 0.151 0.000 1.377 63 H HN 0.320 nan 8.280 nan 0.000 0.504 64 Y N 1.845 122.217 120.300 0.121 0.000 2.128 64 Y HA -0.237 4.321 4.550 0.013 0.000 0.284 64 Y C 2.728 178.596 175.900 -0.053 0.000 1.154 64 Y CA 1.669 59.714 58.100 -0.091 0.000 1.149 64 Y CB -0.059 38.253 38.460 -0.246 0.000 0.976 64 Y HN -0.031 nan 8.280 nan 0.000 0.505 65 R N 0.111 120.724 120.500 0.188 0.000 2.081 65 R HA -0.161 4.186 4.340 0.012 0.000 0.235 65 R C 1.797 178.095 176.300 -0.002 0.000 1.131 65 R CA 1.541 57.694 56.100 0.087 0.000 0.960 65 R CB -0.376 29.989 30.300 0.108 0.000 0.856 65 R HN 0.399 nan 8.270 nan 0.000 0.436 66 D N 0.145 120.559 120.400 0.024 0.000 2.092 66 D HA -0.139 4.508 4.640 0.012 0.000 0.193 66 D C 1.979 178.272 176.300 -0.012 0.000 0.994 66 D CA 1.195 55.207 54.000 0.020 0.000 0.828 66 D CB -0.331 40.509 40.800 0.066 0.000 0.963 66 D HN -0.008 nan 8.370 nan 0.000 0.450 67 V N 1.056 120.946 119.914 -0.041 0.000 2.343 67 V HA -0.213 3.914 4.120 0.012 0.000 0.247 67 V C 2.463 178.493 176.094 -0.108 0.000 1.051 67 V CA 1.096 63.352 62.300 -0.073 0.000 1.036 67 V CB -0.507 31.241 31.823 -0.124 0.000 0.654 67 V HN 0.138 nan 8.190 nan 0.000 0.451 68 L N 0.458 121.555 121.223 -0.211 0.000 2.012 68 L HA -0.199 4.148 4.340 0.012 0.000 0.210 68 L C 2.389 179.202 176.870 -0.094 0.000 1.073 68 L CA 2.028 56.746 54.840 -0.203 0.000 0.748 68 L CB -0.806 41.086 42.059 -0.278 0.000 0.891 68 L HN 0.230 nan 8.230 nan 0.000 0.431 69 K N -0.462 119.901 120.400 -0.062 0.000 2.103 69 K HA -0.195 4.132 4.320 0.012 0.000 0.207 69 K C 1.959 178.547 176.600 -0.020 0.000 1.048 69 K CA 1.861 58.130 56.287 -0.031 0.000 0.930 69 K CB -0.212 32.279 32.500 -0.015 0.000 0.716 69 K HN 0.498 nan 8.250 nan 0.000 0.444 70 E N 0.530 120.723 120.200 -0.012 0.000 2.077 70 E HA -0.168 4.188 4.350 0.012 0.000 0.193 70 E C 2.025 178.628 176.600 0.004 0.000 0.989 70 E CA 1.287 57.691 56.400 0.006 0.000 0.800 70 E CB -0.057 29.658 29.700 0.025 0.000 0.746 70 E HN 0.285 nan 8.360 nan 0.000 0.452 71 M N 0.533 120.132 119.600 -0.003 0.000 2.132 71 M HA -0.158 4.329 4.480 0.012 0.000 0.263 71 M C 2.119 178.396 176.300 -0.039 0.000 1.065 71 M CA 1.447 56.736 55.300 -0.018 0.000 1.122 71 M CB -0.134 32.453 32.600 -0.022 0.000 1.365 71 M HN -0.057 nan 8.290 nan 0.000 0.411 72 K N 0.462 120.839 120.400 -0.039 0.000 2.057 72 K HA -0.098 4.229 4.320 0.012 0.000 0.207 72 K C 2.127 178.714 176.600 -0.022 0.000 1.049 72 K CA 1.468 57.735 56.287 -0.033 0.000 0.931 72 K CB -0.360 32.121 32.500 -0.032 0.000 0.714 72 K HN 0.297 nan 8.250 nan 0.000 0.440 73 A N 1.980 124.791 122.820 -0.016 0.000 1.940 73 A HA -0.226 4.101 4.320 0.012 0.000 0.219 73 A C 1.907 179.483 177.584 -0.014 0.000 1.176 73 A CA 1.645 53.676 52.037 -0.010 0.000 0.631 73 A CB -0.296 18.702 19.000 -0.005 0.000 0.814 73 A HN 0.217 nan 8.150 nan 0.000 0.446 74 K N -0.614 119.774 120.400 -0.021 0.000 2.103 74 K HA 0.059 4.386 4.320 0.012 0.000 0.204 74 K C 2.295 178.873 176.600 -0.037 0.000 1.052 74 K CA 0.892 57.160 56.287 -0.031 0.000 0.945 74 K CB -0.277 32.197 32.500 -0.043 0.000 0.722 74 K HN 0.424 nan 8.250 nan 0.000 0.443 75 A N 1.660 124.458 122.820 -0.038 0.000 1.972 75 A HA -0.166 4.161 4.320 0.012 0.000 0.219 75 A C 2.084 179.660 177.584 -0.013 0.000 1.169 75 A CA 2.023 54.043 52.037 -0.028 0.000 0.635 75 A CB -0.630 18.359 19.000 -0.019 0.000 0.810 75 A HN 0.392 nan 8.150 nan 0.000 0.446 76 S N -0.227 115.467 115.700 -0.011 0.000 2.547 76 S HA -0.109 4.368 4.470 0.012 0.000 0.235 76 S C 1.557 176.154 174.600 -0.005 0.000 0.980 76 S CA 1.568 59.766 58.200 -0.004 0.000 0.941 76 S CB -1.122 62.076 63.200 -0.003 0.000 0.763 76 S HN 0.791 nan 8.310 nan 0.000 0.532 77 T N -1.071 113.476 114.554 -0.011 0.000 3.100 77 T HA 0.290 4.647 4.350 0.012 0.000 0.253 77 T C 0.453 175.145 174.700 -0.013 0.000 1.118 77 T CA -0.207 61.886 62.100 -0.012 0.000 1.058 77 T CB -0.361 68.498 68.868 -0.016 0.000 0.953 77 T HN 0.181 nan 8.240 nan 0.000 0.515 78 V N 1.879 121.785 119.914 -0.014 0.000 2.546 78 V HA 0.419 4.546 4.120 0.012 0.000 0.284 78 V C 0.043 176.133 176.094 -0.006 0.000 1.050 78 V CA -0.853 61.437 62.300 -0.016 0.000 0.981 78 V CB 1.339 33.149 31.823 -0.023 0.000 0.990 78 V HN 0.384 nan 8.190 nan 0.000 0.474 79 K N 3.763 124.159 120.400 -0.007 0.000 2.394 79 K HA 0.745 5.072 4.320 0.012 0.000 0.260 79 K C -0.612 175.987 176.600 -0.001 0.000 0.967 79 K CA -0.388 55.899 56.287 0.000 0.000 0.855 79 K CB 1.398 33.899 32.500 0.002 0.000 1.101 79 K HN 0.822 nan 8.250 nan 0.000 0.433 80 A N 4.157 126.979 122.820 0.004 0.000 2.337 80 A HA 0.492 4.819 4.320 0.012 0.000 0.329 80 A C -1.043 176.552 177.584 0.017 0.000 1.146 80 A CA -0.874 51.165 52.037 0.003 0.000 0.800 80 A CB 0.737 19.733 19.000 -0.007 0.000 1.220 80 A HN 0.847 nan 8.150 nan 0.000 0.472 81 K N 1.397 121.810 120.400 0.022 0.000 2.118 81 K HA 0.692 5.019 4.320 0.012 0.000 0.254 81 K C -0.982 175.640 176.600 0.037 0.000 0.961 81 K CA -0.744 55.559 56.287 0.027 0.000 0.876 81 K CB 1.408 33.921 32.500 0.021 0.000 1.077 81 K HN 0.406 nan 8.250 nan 0.000 0.440 82 L N 3.134 124.374 121.223 0.029 0.000 2.319 82 L HA 0.218 4.565 4.340 0.012 0.000 0.280 82 L C -0.975 175.878 176.870 -0.029 0.000 1.099 82 L CA -0.414 54.436 54.840 0.016 0.000 0.828 82 L CB 0.430 42.499 42.059 0.017 0.000 1.150 82 L HN 0.623 nan 8.230 nan 0.000 0.442 83 L N 4.123 125.321 121.223 -0.041 0.000 2.417 83 L HA 0.344 4.691 4.340 0.012 0.000 0.268 83 L C 0.662 177.438 176.870 -0.157 0.000 1.158 83 L CA 0.507 55.304 54.840 -0.072 0.000 0.819 83 L CB 1.119 43.143 42.059 -0.058 0.000 1.112 83 L HN 0.879 nan 8.230 nan 0.000 0.458 84 S N 2.462 118.077 115.700 -0.140 0.000 2.600 84 S HA 0.251 4.728 4.470 0.012 0.000 0.265 84 S C 1.468 175.953 174.600 -0.193 0.000 1.325 84 S CA -0.548 57.549 58.200 -0.172 0.000 1.002 84 S CB 0.341 63.466 63.200 -0.124 0.000 0.921 84 S HN 0.477 nan 8.310 nan 0.000 0.554 85 I N 0.706 121.150 120.570 -0.211 0.000 2.194 85 I HA -0.222 3.955 4.170 0.012 0.000 0.246 85 I C 2.832 178.865 176.117 -0.139 0.000 1.093 85 I CA 2.061 63.249 61.300 -0.188 0.000 1.355 85 I CB -0.467 37.428 38.000 -0.175 0.000 1.046 85 I HN 0.903 nan 8.210 nan 0.000 0.413 86 E N 1.223 121.351 120.200 -0.121 0.000 2.072 86 E HA -0.244 4.113 4.350 0.012 0.000 0.191 86 E C 2.020 178.558 176.600 -0.103 0.000 0.985 86 E CA 1.316 57.656 56.400 -0.099 0.000 0.801 86 E CB 0.037 29.687 29.700 -0.083 0.000 0.750 86 E HN 0.509 nan 8.360 nan 0.000 0.452 87 E N 0.195 120.328 120.200 -0.111 0.000 2.077 87 E HA -0.192 4.165 4.350 0.012 0.000 0.193 87 E C 2.047 178.551 176.600 -0.160 0.000 0.989 87 E CA 0.967 57.292 56.400 -0.124 0.000 0.800 87 E CB -0.137 29.494 29.700 -0.115 0.000 0.746 87 E HN 0.363 nan 8.360 nan 0.000 0.452 88 A N 0.748 123.475 122.820 -0.154 0.000 1.930 88 A HA -0.161 4.165 4.320 0.012 0.000 0.217 88 A C 2.407 179.916 177.584 -0.125 0.000 1.175 88 A CA 1.012 52.956 52.037 -0.156 0.000 0.627 88 A CB -0.745 18.180 19.000 -0.124 0.000 0.815 88 A HN 0.349 nan 8.150 nan 0.000 0.443 89 C N -0.431 118.807 119.300 -0.104 0.000 2.429 89 C HA -0.070 4.397 4.460 0.012 0.000 0.277 89 C C 2.567 177.504 174.990 -0.088 0.000 1.262 89 C CA 1.244 60.213 59.018 -0.082 0.000 1.733 89 C CB -1.023 26.671 27.740 -0.077 0.000 2.010 89 C HN 0.575 nan 8.230 nan 0.000 0.483 90 K N 0.435 120.780 120.400 -0.092 0.000 2.362 90 K HA 0.005 4.332 4.320 0.012 0.000 0.200 90 K C 1.358 177.926 176.600 -0.053 0.000 1.046 90 K CA 0.809 57.054 56.287 -0.070 0.000 0.952 90 K CB -0.145 32.317 32.500 -0.063 0.000 0.753 90 K HN 0.555 nan 8.250 nan 0.000 0.466 91 L N 0.601 121.755 121.223 -0.115 0.000 2.591 91 L HA 0.014 4.361 4.340 0.012 0.000 0.228 91 L C 0.352 177.171 176.870 -0.085 0.000 1.133 91 L CA 0.170 54.929 54.840 -0.135 0.000 0.880 91 L CB 0.132 41.998 42.059 -0.322 0.000 1.033 91 L HN -0.063 nan 8.230 nan 0.000 0.450 92 T N 1.751 116.254 114.554 -0.085 0.000 2.780 92 T HA 0.240 4.597 4.350 0.012 0.000 0.294 92 T C -2.332 172.260 174.700 -0.181 0.000 0.949 92 T CA -1.160 60.882 62.100 -0.097 0.000 1.074 92 T CB 1.156 69.978 68.868 -0.077 0.000 0.910 92 T HN -0.152 nan 8.240 nan 0.000 0.501 93 P HA 0.170 nan 4.420 nan 0.000 0.271 93 P C -1.915 175.159 177.300 -0.376 0.000 1.216 93 P CA -1.463 61.447 63.100 -0.317 0.000 0.771 93 P CB 0.249 31.881 31.700 -0.114 0.000 0.864 94 P HA -0.163 nan 4.420 nan 0.000 0.218 94 P C 0.564 177.523 177.300 -0.568 0.000 1.146 94 P CA 1.703 64.453 63.100 -0.584 0.000 0.813 94 P CB -0.126 31.129 31.700 -0.741 0.000 0.778 95 H N -2.422 116.561 119.070 -0.144 0.000 2.528 95 H HA 0.264 4.827 4.556 0.011 0.000 0.282 95 H C 0.500 175.776 175.328 -0.087 0.000 1.097 95 H CA -0.273 55.722 56.048 -0.088 0.000 1.121 95 H CB 0.086 29.814 29.762 -0.058 0.000 1.590 95 H HN 0.052 nan 8.280 nan 0.000 0.553 96 S N 1.206 116.881 115.700 -0.042 0.000 2.563 96 S HA 0.257 4.734 4.470 0.012 0.000 0.284 96 S C 0.714 175.284 174.600 -0.049 0.000 1.331 96 S CA -0.464 57.700 58.200 -0.060 0.000 1.047 96 S CB 0.372 63.531 63.200 -0.068 0.000 0.859 96 S HN 0.519 nan 8.310 nan 0.000 0.514 97 A N 4.439 127.209 122.820 -0.083 0.000 2.548 97 A HA 0.245 4.572 4.320 0.012 0.000 0.247 97 A C 0.539 178.111 177.584 -0.020 0.000 1.067 97 A CA -0.182 51.825 52.037 -0.050 0.000 0.757 97 A CB -0.247 18.705 19.000 -0.081 0.000 0.996 97 A HN 0.861 nan 8.150 nan 0.000 0.504 98 K N 2.321 122.705 120.400 -0.028 0.000 2.380 98 K HA 0.263 4.590 4.320 0.012 0.000 0.267 98 K C 0.355 176.878 176.600 -0.129 0.000 0.990 98 K CA 0.166 56.406 56.287 -0.079 0.000 0.946 98 K CB 0.368 32.822 32.500 -0.078 0.000 0.937 98 K HN 0.446 nan 8.250 nan 0.000 0.491 99 S N 0.326 115.836 115.700 -0.316 0.000 2.585 99 S HA 0.016 4.493 4.470 0.012 0.000 0.273 99 S C 0.836 175.235 174.600 -0.335 0.000 1.339 99 S CA -0.547 57.427 58.200 -0.376 0.000 1.028 99 S CB 0.880 63.517 63.200 -0.938 0.000 0.906 99 S HN 0.793 nan 8.310 nan 0.000 0.528 100 K N 2.286 122.486 120.400 -0.334 0.000 2.504 100 K HA 0.048 4.375 4.320 0.012 0.000 0.195 100 K C -0.120 176.073 176.600 -0.678 0.000 1.036 100 K CA 0.899 56.873 56.287 -0.522 0.000 0.984 100 K CB -0.112 31.971 32.500 -0.695 0.000 0.788 100 K HN 0.718 nan 8.250 nan 0.000 0.488 101 F N -0.068 119.690 119.950 -0.320 0.000 2.750 101 F HA 0.283 4.816 4.527 0.011 0.000 0.297 101 F C 0.987 176.693 175.800 -0.157 0.000 1.138 101 F CA 0.028 57.852 58.000 -0.293 0.000 1.346 101 F CB 1.186 39.836 39.000 -0.583 0.000 0.965 101 F HN 0.095 nan 8.300 nan 0.000 0.514 102 G N 0.400 109.161 108.800 -0.065 0.000 2.131 102 G HA2 -0.257 3.710 3.960 0.012 0.000 0.201 102 G HA3 -0.257 3.710 3.960 0.012 0.000 0.201 102 G C -0.397 174.595 174.900 0.155 0.000 1.000 102 G CA 0.001 45.131 45.100 0.049 0.000 0.680 102 G HN 0.543 nan 8.290 nan 0.000 0.514 103 Y N -2.612 117.689 120.300 0.001 0.000 2.656 103 Y HA 0.762 5.319 4.550 0.012 0.000 0.334 103 Y C 0.339 176.246 175.900 0.012 0.000 1.179 103 Y CA -0.980 57.125 58.100 0.008 0.000 1.050 103 Y CB 0.563 39.034 38.460 0.019 0.000 1.308 103 Y HN 0.721 nan 8.280 nan 0.000 0.456 104 G N -0.150 108.725 108.800 0.125 0.000 3.140 104 G HA2 0.543 4.510 3.960 0.012 0.000 0.271 104 G HA3 0.543 4.510 3.960 0.012 0.000 0.271 104 G C 0.232 175.194 174.900 0.103 0.000 1.370 104 G CA -0.764 44.357 45.100 0.035 0.000 1.014 104 G HN 1.209 nan 8.290 nan 0.000 0.541 105 A N -0.315 122.518 122.820 0.021 0.000 1.940 105 A HA -0.073 4.254 4.320 0.012 0.000 0.219 105 A C 2.182 179.741 177.584 -0.041 0.000 1.176 105 A CA 2.555 54.584 52.037 -0.013 0.000 0.631 105 A CB -0.535 18.416 19.000 -0.082 0.000 0.814 105 A HN 0.714 nan 8.150 nan 0.000 0.446 106 K N 0.087 120.458 120.400 -0.048 0.000 2.097 106 K HA -0.107 4.220 4.320 0.012 0.000 0.205 106 K C 1.095 177.679 176.600 -0.026 0.000 1.050 106 K CA 1.726 57.974 56.287 -0.065 0.000 0.938 106 K CB -0.409 32.053 32.500 -0.065 0.000 0.718 106 K HN 0.334 nan 8.250 nan 0.000 0.442 107 D N 0.845 121.261 120.400 0.027 0.000 2.144 107 D HA -0.104 4.543 4.640 0.012 0.000 0.200 107 D C 2.035 178.336 176.300 0.001 0.000 0.978 107 D CA 1.184 55.202 54.000 0.031 0.000 0.833 107 D CB -0.138 40.721 40.800 0.098 0.000 0.961 107 D HN 0.095 nan 8.370 nan 0.000 0.470 108 V N 1.401 121.339 119.914 0.040 0.000 2.261 108 V HA -0.227 3.900 4.120 0.012 0.000 0.246 108 V C 2.510 178.579 176.094 -0.042 0.000 1.047 108 V CA 1.574 63.877 62.300 0.004 0.000 1.015 108 V CB -0.356 31.507 31.823 0.067 0.000 0.642 108 V HN 0.119 nan 8.190 nan 0.000 0.446 109 R N 0.387 120.854 120.500 -0.056 0.000 2.120 109 R HA -0.106 4.240 4.340 0.012 0.000 0.234 109 R C 1.820 178.080 176.300 -0.068 0.000 1.123 109 R CA 1.417 57.469 56.100 -0.080 0.000 0.975 109 R CB -0.380 29.847 30.300 -0.122 0.000 0.866 109 R HN 0.501 nan 8.270 nan 0.000 0.446 110 N N 0.826 119.492 118.700 -0.057 0.000 2.461 110 N HA 0.039 4.786 4.740 0.012 0.000 0.188 110 N C 0.232 175.711 175.510 -0.052 0.000 1.134 110 N CA 0.352 53.372 53.050 -0.050 0.000 0.878 110 N CB 0.104 38.567 38.487 -0.040 0.000 0.972 110 N HN 0.137 nan 8.380 nan 0.000 0.456 111 L N 0.582 121.769 121.223 -0.061 0.000 3.634 111 L HA -0.233 4.114 4.340 0.012 0.000 0.423 111 L C 0.224 177.050 176.870 -0.072 0.000 1.253 111 L CA -0.017 54.780 54.840 -0.072 0.000 0.885 111 L CB -2.558 39.461 42.059 -0.066 0.000 1.789 111 L HN 0.173 nan 8.230 nan 0.000 0.904 112 S N -1.799 113.858 115.700 -0.072 0.000 2.566 112 S HA 0.152 4.629 4.470 0.012 0.000 0.280 112 S C 1.352 175.898 174.600 -0.091 0.000 1.343 112 S CA 0.269 58.429 58.200 -0.067 0.000 1.036 112 S CB 1.865 65.035 63.200 -0.050 0.000 0.866 112 S HN 0.360 nan 8.310 nan 0.000 0.526 113 S N 1.687 117.347 115.700 -0.067 0.000 2.359 113 S HA -0.186 4.291 4.470 0.012 0.000 0.224 113 S C 2.059 176.607 174.600 -0.085 0.000 1.035 113 S CA 1.595 59.757 58.200 -0.065 0.000 1.018 113 S CB -0.586 62.591 63.200 -0.038 0.000 0.876 113 S HN 0.821 nan 8.310 nan 0.000 0.448 114 R N 0.301 120.751 120.500 -0.083 0.000 2.073 114 R HA -0.036 4.311 4.340 0.012 0.000 0.234 114 R C 2.464 178.592 176.300 -0.287 0.000 1.134 114 R CA 1.402 57.447 56.100 -0.092 0.000 0.952 114 R CB -0.653 29.641 30.300 -0.010 0.000 0.850 114 R HN 0.458 nan 8.270 nan 0.000 0.433 115 A N 0.425 122.954 122.820 -0.485 0.000 1.858 115 A HA -0.164 4.163 4.320 0.012 0.000 0.216 115 A C 2.272 179.567 177.584 -0.482 0.000 1.190 115 A CA 2.010 53.470 52.037 -0.962 0.000 0.617 115 A CB -0.983 17.638 19.000 -0.633 0.000 0.827 115 A HN 0.348 nan 8.150 nan 0.000 0.443 116 V N -1.429 118.331 119.914 -0.257 0.000 2.358 116 V HA -0.228 3.899 4.120 0.012 0.000 0.246 116 V C 1.933 177.956 176.094 -0.119 0.000 1.047 116 V CA 2.292 64.497 62.300 -0.159 0.000 1.035 116 V CB -1.283 30.469 31.823 -0.119 0.000 0.658 116 V HN 0.442 nan 8.190 nan 0.000 0.452 117 N N 0.287 118.928 118.700 -0.099 0.000 2.069 117 N HA -0.215 4.532 4.740 0.012 0.000 0.191 117 N C 1.966 177.459 175.510 -0.030 0.000 1.031 117 N CA 2.190 55.209 53.050 -0.051 0.000 0.852 117 N CB -0.848 37.623 38.487 -0.026 0.000 1.018 117 N HN 0.810 nan 8.380 nan 0.000 0.423 118 H N 0.722 119.715 119.070 -0.128 0.000 2.326 118 H HA 0.037 4.600 4.556 0.011 0.000 0.301 118 H C 2.114 177.412 175.328 -0.049 0.000 1.081 118 H CA 1.082 57.084 56.048 -0.076 0.000 1.334 118 H CB -0.030 29.740 29.762 0.012 0.000 1.385 118 H HN 0.125 nan 8.280 nan 0.000 0.504 119 I N 0.706 121.197 120.570 -0.132 0.000 2.208 119 I HA -0.295 3.882 4.170 0.012 0.000 0.245 119 I C 2.884 178.954 176.117 -0.077 0.000 1.097 119 I CA 1.184 62.422 61.300 -0.104 0.000 1.363 119 I CB -0.257 37.717 38.000 -0.044 0.000 1.051 119 I HN 0.222 nan 8.210 nan 0.000 0.413 120 R N 0.585 121.043 120.500 -0.070 0.000 2.105 120 R HA -0.168 4.179 4.340 0.012 0.000 0.239 120 R C 2.574 178.879 176.300 0.009 0.000 1.135 120 R CA 1.917 58.009 56.100 -0.013 0.000 0.967 120 R CB -0.510 29.770 30.300 -0.033 0.000 0.861 120 R HN 0.512 nan 8.270 nan 0.000 0.442 121 S N 0.207 115.855 115.700 -0.087 0.000 2.387 121 S HA -0.063 4.414 4.470 0.012 0.000 0.226 121 S C 2.145 176.661 174.600 -0.140 0.000 1.026 121 S CA 1.027 59.164 58.200 -0.104 0.000 0.972 121 S CB -0.385 62.737 63.200 -0.129 0.000 0.814 121 S HN 0.051 nan 8.310 nan 0.000 0.477 122 V N 0.975 120.751 119.914 -0.231 0.000 2.358 122 V HA -0.126 4.000 4.120 0.012 0.000 0.246 122 V C 2.249 178.324 176.094 -0.032 0.000 1.047 122 V CA 1.794 63.983 62.300 -0.186 0.000 1.035 122 V CB -1.081 30.602 31.823 -0.233 0.000 0.658 122 V HN 0.713 nan 8.190 nan 0.000 0.452 123 W N 1.193 122.413 121.300 -0.133 0.000 2.335 123 W HA -0.172 4.495 4.660 0.012 0.000 0.311 123 W C 2.376 178.851 176.519 -0.075 0.000 1.213 123 W CA 1.953 59.247 57.345 -0.085 0.000 1.274 123 W CB -0.078 29.340 29.460 -0.071 0.000 1.148 123 W HN 0.295 nan 8.180 nan 0.000 0.498 124 E N 0.387 120.619 120.200 0.053 0.000 2.110 124 E HA -0.242 4.115 4.350 0.012 0.000 0.193 124 E C 1.501 178.025 176.600 -0.127 0.000 0.988 124 E CA 1.933 58.308 56.400 -0.042 0.000 0.804 124 E CB -0.853 28.859 29.700 0.019 0.000 0.745 124 E HN 0.457 nan 8.360 nan 0.000 0.458 125 D N 0.349 120.678 120.400 -0.119 0.000 2.144 125 D HA -0.097 4.550 4.640 0.012 0.000 0.200 125 D C 2.070 178.269 176.300 -0.168 0.000 0.978 125 D CA 0.621 54.546 54.000 -0.124 0.000 0.833 125 D CB -0.002 40.733 40.800 -0.108 0.000 0.961 125 D HN 0.060 nan 8.370 nan 0.000 0.470 126 L N -0.018 121.060 121.223 -0.241 0.000 2.083 126 L HA -0.127 4.220 4.340 0.012 0.000 0.209 126 L C 2.330 179.002 176.870 -0.331 0.000 1.083 126 L CA 0.631 55.288 54.840 -0.304 0.000 0.752 126 L CB -0.312 41.490 42.059 -0.428 0.000 0.899 126 L HN 0.238 nan 8.230 nan 0.000 0.433 127 L N -0.970 120.024 121.223 -0.381 0.000 2.217 127 L HA -0.128 4.219 4.340 0.012 0.000 0.211 127 L C 2.178 178.944 176.870 -0.172 0.000 1.107 127 L CA 1.018 55.678 54.840 -0.299 0.000 0.783 127 L CB -0.274 41.612 42.059 -0.288 0.000 0.919 127 L HN 0.285 nan 8.230 nan 0.000 0.442 128 E N -1.037 119.076 120.200 -0.145 0.000 2.201 128 E HA -0.044 4.313 4.350 0.012 0.000 0.193 128 E C 0.340 176.891 176.600 -0.082 0.000 0.957 128 E CA 0.122 56.466 56.400 -0.094 0.000 0.858 128 E CB 0.479 30.134 29.700 -0.075 0.000 0.816 128 E HN 0.142 nan 8.360 nan 0.000 0.475 129 D N 0.363 120.707 120.400 -0.092 0.000 2.349 129 D HA 0.037 4.684 4.640 0.012 0.000 0.232 129 D C 0.264 176.514 176.300 -0.083 0.000 1.071 129 D CA -0.093 53.863 54.000 -0.074 0.000 0.832 129 D CB 1.487 42.248 40.800 -0.066 0.000 1.086 129 D HN 0.004 nan 8.370 nan 0.000 0.504 130 T N 0.154 114.668 114.554 -0.066 0.000 3.069 130 T HA 0.143 4.499 4.350 0.012 0.000 0.252 130 T C 0.958 175.626 174.700 -0.053 0.000 1.053 130 T CA 0.016 62.076 62.100 -0.067 0.000 0.964 130 T CB 0.402 69.237 68.868 -0.054 0.000 1.005 130 T HN 0.512 nan 8.240 nan 0.000 0.532 131 E N 0.686 120.860 120.200 -0.044 0.000 2.583 131 E HA 0.109 4.466 4.350 0.012 0.000 0.204 131 E C -0.387 176.201 176.600 -0.020 0.000 0.860 131 E CA -0.004 56.379 56.400 -0.029 0.000 1.473 131 E CB 0.541 30.229 29.700 -0.021 0.000 1.469 131 E HN 0.301 nan 8.360 nan 0.000 0.788 132 T N 4.782 119.323 114.554 -0.022 0.000 2.829 132 T HA 0.154 4.511 4.350 0.012 0.000 0.293 132 T C -2.551 172.146 174.700 -0.006 0.000 0.970 132 T CA -0.832 61.264 62.100 -0.007 0.000 1.168 132 T CB 0.924 69.787 68.868 -0.008 0.000 0.911 132 T HN 0.099 nan 8.240 nan 0.000 0.535 133 P HA 0.173 nan 4.420 nan 0.000 0.266 133 P C -0.174 177.119 177.300 -0.011 0.000 1.195 133 P CA -0.142 62.962 63.100 0.007 0.000 0.768 133 P CB 0.380 32.117 31.700 0.061 0.000 0.838 134 I N 2.226 122.774 120.570 -0.037 0.000 2.396 134 I HA 0.150 4.327 4.170 0.012 0.000 0.292 134 I C 0.932 177.032 176.117 -0.029 0.000 0.999 134 I CA -0.428 60.858 61.300 -0.024 0.000 1.310 134 I CB 0.753 38.730 38.000 -0.038 0.000 1.404 134 I HN 0.312 nan 8.210 nan 0.000 0.496 135 D N 4.101 124.502 120.400 0.001 0.000 2.399 135 D HA 0.217 4.864 4.640 0.012 0.000 0.241 135 D C -0.381 175.894 176.300 -0.042 0.000 1.133 135 D CA 0.277 54.266 54.000 -0.018 0.000 0.890 135 D CB 0.822 41.630 40.800 0.014 0.000 1.201 135 D HN 0.620 nan 8.370 nan 0.000 0.432 136 T N -0.905 113.595 114.554 -0.090 0.000 2.906 136 T HA 0.606 4.963 4.350 0.012 0.000 0.295 136 T C -0.403 174.163 174.700 -0.223 0.000 1.075 136 T CA -0.973 61.039 62.100 -0.146 0.000 1.005 136 T CB 1.513 70.310 68.868 -0.118 0.000 1.136 136 T HN 0.211 nan 8.240 nan 0.000 0.498 137 T N 2.060 116.342 114.554 -0.453 0.000 2.829 137 T HA 0.610 4.967 4.350 0.012 0.000 0.282 137 T C -0.406 174.022 174.700 -0.452 0.000 0.990 137 T CA -0.602 61.202 62.100 -0.494 0.000 1.028 137 T CB 0.821 69.251 68.868 -0.728 0.000 0.951 137 T HN 0.724 nan 8.240 nan 0.000 0.460 138 I N 3.793 124.258 120.570 -0.175 0.000 2.404 138 I HA 0.558 4.735 4.170 0.012 0.000 0.293 138 I C -1.042 175.089 176.117 0.023 0.000 0.992 138 I CA -0.816 60.466 61.300 -0.030 0.000 1.149 138 I CB 0.789 38.833 38.000 0.074 0.000 1.315 138 I HN 0.409 nan 8.210 nan 0.000 0.446 139 M N 6.139 125.801 119.600 0.103 0.000 2.550 139 M HA 0.496 4.982 4.480 0.012 0.000 0.292 139 M C -0.567 175.796 176.300 0.105 0.000 1.221 139 M CA -0.623 54.752 55.300 0.125 0.000 0.873 139 M CB 1.797 34.532 32.600 0.225 0.000 1.727 139 M HN 0.603 nan 8.290 nan 0.000 0.459 140 A N 1.970 124.834 122.820 0.072 0.000 2.366 140 A HA 0.408 4.735 4.320 0.012 0.000 0.272 140 A C -0.007 177.621 177.584 0.072 0.000 1.135 140 A CA -0.336 51.737 52.037 0.060 0.000 0.804 140 A CB 0.250 19.272 19.000 0.036 0.000 1.064 140 A HN 0.769 nan 8.150 nan 0.000 0.499 141 K N 1.716 122.161 120.400 0.075 0.000 2.298 141 K HA 0.281 4.608 4.320 0.012 0.000 0.280 141 K C -0.031 176.589 176.600 0.032 0.000 1.032 141 K CA -0.008 56.314 56.287 0.059 0.000 0.958 141 K CB 0.589 33.131 32.500 0.070 0.000 0.978 141 K HN 0.611 nan 8.250 nan 0.000 0.472 142 S N 3.621 119.317 115.700 -0.007 0.000 2.410 142 S HA 0.197 4.674 4.470 0.012 0.000 0.304 142 S C -1.122 173.382 174.600 -0.160 0.000 1.095 142 S CA -0.556 57.605 58.200 -0.064 0.000 1.089 142 S CB 0.307 63.471 63.200 -0.059 0.000 0.968 142 S HN 0.608 nan 8.310 nan 0.000 0.480 143 E N 2.649 122.722 120.200 -0.212 0.000 2.317 143 E HA 0.495 4.852 4.350 0.012 0.000 0.270 143 E C -1.330 174.848 176.600 -0.703 0.000 0.885 143 E CA -0.992 55.155 56.400 -0.421 0.000 0.760 143 E CB 2.193 31.697 29.700 -0.327 0.000 1.227 143 E HN 0.393 nan 8.360 nan 0.000 0.434 144 V N 3.077 122.422 119.914 -0.948 0.000 2.472 144 V HA 0.525 4.652 4.120 0.012 0.000 0.290 144 V C -0.801 174.620 176.094 -1.121 0.000 1.037 144 V CA -0.276 61.458 62.300 -0.943 0.000 0.908 144 V CB 0.352 31.714 31.823 -0.768 0.000 0.985 144 V HN 0.529 nan 8.190 nan 0.000 0.454 145 F N 2.051 121.615 119.950 -0.644 0.000 2.692 145 F HA 0.584 5.118 4.527 0.012 0.000 0.320 145 F C 0.031 175.624 175.800 -0.345 0.000 1.123 145 F CA -0.699 57.021 58.000 -0.467 0.000 0.961 145 F CB 1.404 40.128 39.000 -0.460 0.000 1.383 145 F HN 0.510 nan 8.300 nan 0.000 0.483 146 C N 2.747 122.138 119.300 0.153 0.000 2.365 146 C HA 0.767 5.234 4.460 0.012 0.000 0.351 146 C C 0.126 175.311 174.990 0.325 0.000 1.240 146 C CA -0.704 58.434 59.018 0.200 0.000 2.062 146 C CB -0.051 27.763 27.740 0.123 0.000 2.387 146 C HN 0.678 nan 8.230 nan 0.000 0.537 147 V N 4.756 124.881 119.914 0.352 0.000 3.032 147 V HA 0.178 4.305 4.120 0.012 0.000 0.307 147 V C 0.267 176.437 176.094 0.126 0.000 1.097 147 V CA -0.078 62.370 62.300 0.246 0.000 1.191 147 V CB 0.146 32.038 31.823 0.115 0.000 0.964 147 V HN 1.017 nan 8.190 nan 0.000 0.494 148 Q N 4.104 123.944 119.800 0.066 0.000 2.373 148 Q HA 0.204 4.551 4.340 0.012 0.000 0.255 148 Q C -1.562 174.446 176.000 0.014 0.000 0.980 148 Q CA -1.136 54.682 55.803 0.026 0.000 0.882 148 Q CB 1.234 29.969 28.738 -0.005 0.000 1.249 148 Q HN 0.672 nan 8.270 nan 0.000 0.438 149 P HA -0.269 nan 4.420 nan 0.000 0.221 149 P C -0.443 176.855 177.300 -0.004 0.000 1.160 149 P CA 1.653 64.755 63.100 0.003 0.000 0.933 149 P CB -0.160 31.539 31.700 -0.001 0.000 0.793 150 E N 0.207 120.401 120.200 -0.010 0.000 2.383 150 E HA 0.033 4.390 4.350 0.012 0.000 0.264 150 E C 0.005 176.593 176.600 -0.019 0.000 1.050 150 E CA -0.503 55.888 56.400 -0.015 0.000 0.896 150 E CB 0.305 29.995 29.700 -0.016 0.000 0.982 150 E HN -0.152 nan 8.360 nan 0.000 0.424 151 K N 1.727 122.113 120.400 -0.022 0.000 2.477 151 K HA 0.028 4.355 4.320 0.012 0.000 0.275 151 K C 0.844 177.422 176.600 -0.037 0.000 1.054 151 K CA 1.533 57.803 56.287 -0.028 0.000 1.135 151 K CB -0.718 31.766 32.500 -0.027 0.000 0.854 151 K HN 0.871 nan 8.250 nan 0.000 0.484 152 G N 2.592 111.364 108.800 -0.047 0.000 2.569 152 G HA2 -0.053 3.914 3.960 0.012 0.000 0.259 152 G HA3 -0.053 3.914 3.960 0.012 0.000 0.259 152 G C 0.628 175.485 174.900 -0.071 0.000 1.263 152 G CA 0.304 45.361 45.100 -0.071 0.000 0.928 152 G HN 1.524 nan 8.290 nan 0.000 0.572 153 G N -1.559 107.192 108.800 -0.083 0.000 2.132 153 G HA2 -0.101 3.866 3.960 0.012 0.000 0.228 153 G HA3 -0.101 3.866 3.960 0.012 0.000 0.228 153 G C 0.406 175.251 174.900 -0.092 0.000 1.000 153 G CA 1.237 46.294 45.100 -0.072 0.000 0.693 153 G HN 1.032 nan 8.290 nan 0.000 0.515 154 R N 0.159 120.563 120.500 -0.160 0.000 2.758 154 R HA 0.281 4.628 4.340 0.012 0.000 0.263 154 R C 0.684 176.929 176.300 -0.092 0.000 1.010 154 R CA 0.466 56.431 56.100 -0.225 0.000 1.114 154 R CB 0.406 30.386 30.300 -0.533 0.000 0.985 154 R HN 0.326 nan 8.270 nan 0.000 0.439 155 K N 3.627 124.024 120.400 -0.004 0.000 2.276 155 K HA 0.201 4.528 4.320 0.012 0.000 0.283 155 K C -2.014 174.605 176.600 0.033 0.000 1.044 155 K CA -1.529 54.722 56.287 -0.061 0.000 0.944 155 K CB 0.656 32.978 32.500 -0.298 0.000 1.012 155 K HN 0.379 nan 8.250 nan 0.000 0.472 156 P HA 0.024 nan 4.420 nan 0.000 0.274 156 P C -0.733 176.611 177.300 0.072 0.000 1.237 156 P CA -0.447 62.674 63.100 0.035 0.000 0.793 156 P CB 0.636 32.339 31.700 0.005 0.000 0.977 157 A N 3.125 125.994 122.820 0.081 0.000 2.531 157 A HA 0.042 4.369 4.320 0.012 0.000 0.236 157 A C 0.666 178.298 177.584 0.080 0.000 1.062 157 A CA 0.091 52.185 52.037 0.095 0.000 0.760 157 A CB -0.390 18.651 19.000 0.069 0.000 0.995 157 A HN 0.466 nan 8.150 nan 0.000 0.501 158 R N 0.466 121.030 120.500 0.106 0.000 2.582 158 R HA 0.430 4.777 4.340 0.012 0.000 0.271 158 R C -0.777 175.580 176.300 0.094 0.000 1.078 158 R CA -0.267 55.897 56.100 0.105 0.000 1.127 158 R CB 0.450 30.827 30.300 0.129 0.000 1.038 158 R HN 0.656 nan 8.270 nan 0.000 0.500 159 L N 4.460 125.743 121.223 0.100 0.000 2.272 159 L HA 0.469 4.816 4.340 0.012 0.000 0.289 159 L C 0.151 177.113 176.870 0.153 0.000 1.032 159 L CA -0.654 54.248 54.840 0.102 0.000 0.810 159 L CB 1.030 43.128 42.059 0.065 0.000 1.205 159 L HN 0.529 nan 8.230 nan 0.000 0.422 160 I N 1.180 121.856 120.570 0.176 0.000 2.460 160 I HA 0.717 4.894 4.170 0.012 0.000 0.298 160 I C -0.721 175.561 176.117 0.275 0.000 0.989 160 I CA -0.815 60.627 61.300 0.238 0.000 1.173 160 I CB 1.988 40.140 38.000 0.254 0.000 1.338 160 I HN 0.202 nan 8.210 nan 0.000 0.456 161 V N 6.722 126.805 119.914 0.281 0.000 2.577 161 V HA 0.599 4.726 4.120 0.012 0.000 0.303 161 V C -0.708 175.538 176.094 0.254 0.000 1.042 161 V CA -0.383 62.017 62.300 0.167 0.000 0.872 161 V CB 1.408 33.320 31.823 0.148 0.000 0.998 161 V HN 0.753 nan 8.190 nan 0.000 0.423 162 F N 4.762 124.764 119.950 0.086 0.000 2.619 162 F HA 0.933 5.468 4.527 0.013 0.000 0.308 162 F C -3.053 172.793 175.800 0.077 0.000 1.097 162 F CA -2.463 55.589 58.000 0.086 0.000 0.953 162 F CB 1.799 40.845 39.000 0.078 0.000 1.287 162 F HN 0.303 nan 8.300 nan 0.000 0.446 163 P HA 0.184 nan 4.420 nan 0.000 0.279 163 P C -1.045 176.403 177.300 0.246 0.000 1.276 163 P CA -0.148 63.038 63.100 0.143 0.000 0.801 163 P CB 1.206 32.989 31.700 0.139 0.000 1.127 164 D N -0.825 119.697 120.400 0.204 0.000 2.378 164 D HA -0.050 4.597 4.640 0.012 0.000 0.238 164 D C 1.354 177.801 176.300 0.245 0.000 1.180 164 D CA -0.288 53.857 54.000 0.242 0.000 0.895 164 D CB 0.280 41.271 40.800 0.318 0.000 1.192 164 D HN 0.106 nan 8.370 nan 0.000 0.438 165 L N 3.181 124.526 121.223 0.204 0.000 2.043 165 L HA -0.029 4.318 4.340 0.012 0.000 0.212 165 L C 2.058 179.082 176.870 0.258 0.000 1.075 165 L CA 2.640 57.590 54.840 0.183 0.000 0.752 165 L CB -1.153 40.966 42.059 0.100 0.000 0.891 165 L HN 0.664 nan 8.230 nan 0.000 0.432 166 G N -1.143 107.879 108.800 0.369 0.000 2.440 166 G HA2 -0.235 3.732 3.960 0.012 0.000 0.218 166 G HA3 -0.235 3.732 3.960 0.012 0.000 0.218 166 G C 1.549 176.569 174.900 0.200 0.000 1.154 166 G CA 1.181 46.506 45.100 0.376 0.000 0.767 166 G HN 0.367 nan 8.290 nan 0.000 0.552 167 V N 0.666 120.692 119.914 0.186 0.000 2.343 167 V HA -0.159 3.968 4.120 0.012 0.000 0.247 167 V C 2.938 179.125 176.094 0.155 0.000 1.051 167 V CA 1.948 64.331 62.300 0.138 0.000 1.036 167 V CB -0.442 31.453 31.823 0.120 0.000 0.654 167 V HN 0.338 nan 8.190 nan 0.000 0.451 168 R N -0.375 120.227 120.500 0.169 0.000 2.096 168 R HA -0.109 4.238 4.340 0.012 0.000 0.235 168 R C 2.211 178.589 176.300 0.131 0.000 1.127 168 R CA 1.376 57.570 56.100 0.157 0.000 0.968 168 R CB -0.556 29.831 30.300 0.143 0.000 0.861 168 R HN 0.424 nan 8.270 nan 0.000 0.440 169 V N 0.373 120.361 119.914 0.123 0.000 2.427 169 V HA -0.284 3.843 4.120 0.012 0.000 0.248 169 V C 2.452 178.601 176.094 0.092 0.000 1.051 169 V CA 1.486 63.834 62.300 0.081 0.000 1.048 169 V CB -0.451 31.413 31.823 0.068 0.000 0.666 169 V HN 0.446 nan 8.190 nan 0.000 0.456 170 C N -0.152 119.242 119.300 0.156 0.000 2.440 170 C HA -0.125 4.342 4.460 0.012 0.000 0.278 170 C C 2.670 177.843 174.990 0.306 0.000 1.295 170 C CA 0.781 59.969 59.018 0.283 0.000 1.738 170 C CB -0.942 27.013 27.740 0.360 0.000 1.987 170 C HN 0.616 nan 8.230 nan 0.000 0.492 171 E N 0.877 121.213 120.200 0.227 0.000 2.085 171 E HA -0.239 4.118 4.350 0.012 0.000 0.194 171 E C 2.145 178.874 176.600 0.214 0.000 0.994 171 E CA 1.278 57.819 56.400 0.236 0.000 0.801 171 E CB -0.143 29.704 29.700 0.245 0.000 0.743 171 E HN 0.636 nan 8.360 nan 0.000 0.453 172 K N 0.282 120.779 120.400 0.162 0.000 2.026 172 K HA -0.114 4.213 4.320 0.012 0.000 0.208 172 K C 2.215 178.882 176.600 0.112 0.000 1.048 172 K CA 1.364 57.731 56.287 0.133 0.000 0.929 172 K CB -0.121 32.391 32.500 0.020 0.000 0.713 172 K HN 0.117 nan 8.250 nan 0.000 0.439 173 M N 0.275 119.905 119.600 0.050 0.000 2.108 173 M HA -0.194 4.293 4.480 0.012 0.000 0.261 173 M C 2.429 178.775 176.300 0.076 0.000 1.066 173 M CA 1.797 57.063 55.300 -0.056 0.000 1.107 173 M CB -0.362 32.023 32.600 -0.358 0.000 1.356 173 M HN 0.246 nan 8.290 nan 0.000 0.406 174 A N -0.584 122.397 122.820 0.269 0.000 1.930 174 A HA 0.025 4.352 4.320 0.012 0.000 0.215 174 A C 1.839 179.523 177.584 0.167 0.000 1.176 174 A CA 1.193 53.424 52.037 0.323 0.000 0.632 174 A CB -0.176 19.051 19.000 0.377 0.000 0.819 174 A HN 0.504 nan 8.150 nan 0.000 0.445 175 L N -3.219 118.091 121.223 0.144 0.000 3.039 175 L HA 0.194 4.541 4.340 0.012 0.000 0.269 175 L C 1.797 178.701 176.870 0.057 0.000 1.169 175 L CA 0.012 54.879 54.840 0.045 0.000 0.986 175 L CB 0.126 42.194 42.059 0.016 0.000 1.377 175 L HN 0.444 nan 8.230 nan 0.000 0.575 176 Y N 1.422 121.738 120.300 0.026 0.000 2.165 176 Y HA -0.319 4.238 4.550 0.011 0.000 0.286 176 Y C 2.174 178.102 175.900 0.048 0.000 1.155 176 Y CA 2.291 60.423 58.100 0.053 0.000 1.164 176 Y CB 0.107 38.592 38.460 0.042 0.000 0.978 176 Y HN 0.227 nan 8.280 nan 0.000 0.513 177 D N -0.780 119.643 120.400 0.038 0.000 2.144 177 D HA -0.154 4.493 4.640 0.012 0.000 0.200 177 D C 2.213 178.440 176.300 -0.122 0.000 0.978 177 D CA 1.332 55.298 54.000 -0.057 0.000 0.833 177 D CB -0.195 40.625 40.800 0.033 0.000 0.961 177 D HN 0.251 nan 8.370 nan 0.000 0.470 178 V N 0.590 120.435 119.914 -0.114 0.000 2.233 178 V HA -0.255 3.872 4.120 0.012 0.000 0.247 178 V C 2.706 178.667 176.094 -0.221 0.000 1.050 178 V CA 1.977 64.173 62.300 -0.172 0.000 1.010 178 V CB -0.833 30.834 31.823 -0.260 0.000 0.637 178 V HN 0.345 nan 8.190 nan 0.000 0.444 179 V N -2.567 117.199 119.914 -0.247 0.000 2.913 179 V HA -0.091 4.036 4.120 0.012 0.000 0.260 179 V C 2.013 177.951 176.094 -0.260 0.000 1.098 179 V CA 2.060 64.216 62.300 -0.240 0.000 1.121 179 V CB -0.392 31.318 31.823 -0.187 0.000 0.714 179 V HN 0.450 nan 8.190 nan 0.000 0.487 180 S N 0.114 115.650 115.700 -0.273 0.000 2.478 180 S HA 0.028 4.505 4.470 0.012 0.000 0.222 180 S C 1.824 176.327 174.600 -0.161 0.000 1.008 180 S CA 1.350 59.407 58.200 -0.238 0.000 0.928 180 S CB 0.095 63.082 63.200 -0.355 0.000 0.781 180 S HN 0.778 nan 8.310 nan 0.000 0.518 181 T N 1.063 115.517 114.554 -0.167 0.000 2.987 181 T HA 0.291 4.648 4.350 0.012 0.000 0.248 181 T C 1.568 176.172 174.700 -0.161 0.000 0.997 181 T CA -0.169 61.853 62.100 -0.129 0.000 1.013 181 T CB -0.024 68.789 68.868 -0.091 0.000 1.077 181 T HN 0.161 nan 8.240 nan 0.000 0.483 182 L N 1.931 123.051 121.223 -0.172 0.000 2.056 182 L HA 0.074 4.421 4.340 0.012 0.000 0.207 182 L C -1.079 175.636 176.870 -0.258 0.000 1.078 182 L CA 1.313 56.059 54.840 -0.156 0.000 0.749 182 L CB -0.641 41.375 42.059 -0.073 0.000 0.901 182 L HN 0.088 nan 8.230 nan 0.000 0.433 183 P HA -0.235 nan 4.420 nan 0.000 0.215 183 P C 1.256 178.133 177.300 -0.706 0.000 1.153 183 P CA 1.468 64.149 63.100 -0.698 0.000 0.853 183 P CB -0.015 30.907 31.700 -1.295 0.000 0.788 184 Q N -0.706 118.744 119.800 -0.583 0.000 2.172 184 Q HA -0.082 4.265 4.340 0.012 0.000 0.200 184 Q C 1.977 177.857 176.000 -0.199 0.000 0.964 184 Q CA 1.317 56.947 55.803 -0.288 0.000 0.855 184 Q CB -0.521 28.152 28.738 -0.108 0.000 0.918 184 Q HN 0.069 nan 8.270 nan 0.000 0.444 185 A N -0.202 122.506 122.820 -0.187 0.000 1.933 185 A HA -0.113 4.214 4.320 0.012 0.000 0.218 185 A C 2.099 179.600 177.584 -0.139 0.000 1.175 185 A CA 1.446 53.406 52.037 -0.128 0.000 0.628 185 A CB -0.464 18.475 19.000 -0.102 0.000 0.814 185 A HN 0.295 nan 8.150 nan 0.000 0.444 186 V N -0.855 118.941 119.914 -0.198 0.000 2.446 186 V HA -0.118 4.009 4.120 0.012 0.000 0.244 186 V C 2.362 178.280 176.094 -0.294 0.000 1.039 186 V CA 2.010 64.182 62.300 -0.213 0.000 1.045 186 V CB -0.425 31.258 31.823 -0.233 0.000 0.681 186 V HN 0.562 nan 8.190 nan 0.000 0.459 187 M N -1.216 118.153 119.600 -0.385 0.000 2.382 187 M HA 0.350 4.837 4.480 0.012 0.000 0.247 187 M C 1.455 177.640 176.300 -0.192 0.000 1.104 187 M CA 0.742 55.740 55.300 -0.504 0.000 1.030 187 M CB 0.501 32.693 32.600 -0.680 0.000 1.424 187 M HN 0.474 nan 8.290 nan 0.000 0.486 188 G N 1.672 110.393 108.800 -0.132 0.000 2.611 188 G HA2 -0.403 3.564 3.960 0.012 0.000 0.301 188 G HA3 -0.403 3.564 3.960 0.012 0.000 0.301 188 G C 0.829 175.703 174.900 -0.044 0.000 1.233 188 G CA 0.905 45.971 45.100 -0.056 0.000 0.993 188 G HN 0.529 nan 8.290 nan 0.000 0.553 189 S N -0.677 115.023 115.700 -0.000 0.000 2.500 189 S HA 0.077 4.554 4.470 0.012 0.000 0.239 189 S C 2.159 176.674 174.600 -0.143 0.000 0.989 189 S CA 1.942 60.113 58.200 -0.048 0.000 0.951 189 S CB -0.086 63.170 63.200 0.092 0.000 0.759 189 S HN 1.003 nan 8.310 nan 0.000 0.523 190 S N 0.229 115.939 115.700 0.017 0.000 2.522 190 S HA 0.140 4.617 4.470 0.012 0.000 0.227 190 S C 0.156 174.780 174.600 0.040 0.000 0.986 190 S CA -0.170 58.082 58.200 0.087 0.000 0.929 190 S CB -0.392 62.980 63.200 0.287 0.000 0.769 190 S HN 0.702 nan 8.310 nan 0.000 0.529 191 Y N 2.872 123.059 120.300 -0.187 0.000 2.486 191 Y HA 0.467 5.024 4.550 0.011 0.000 0.348 191 Y C 1.258 176.977 175.900 -0.302 0.000 1.000 191 Y CA -1.438 56.526 58.100 -0.227 0.000 1.253 191 Y CB 0.064 38.386 38.460 -0.229 0.000 1.140 191 Y HN 0.058 nan 8.280 nan 0.000 0.526 192 G N 4.676 113.079 108.800 -0.661 0.000 2.422 192 G HA2 -0.261 3.706 3.960 0.012 0.000 0.218 192 G HA3 -0.261 3.706 3.960 0.012 0.000 0.218 192 G C 1.177 175.574 174.900 -0.838 0.000 1.140 192 G CA 0.274 44.988 45.100 -0.644 0.000 0.775 192 G HN 0.707 nan 8.290 nan 0.000 0.545 193 F N 1.224 120.500 119.950 -1.123 0.000 2.699 193 F HA 0.025 4.559 4.527 0.011 0.000 0.298 193 F C 2.857 178.452 175.800 -0.341 0.000 1.154 193 F CA 0.920 58.394 58.000 -0.878 0.000 1.457 193 F CB 0.149 38.595 39.000 -0.923 0.000 1.106 193 F HN 0.298 nan 8.300 nan 0.000 0.585 194 Q N -0.212 119.351 119.800 -0.395 0.000 2.472 194 Q HA -0.056 4.291 4.340 0.012 0.000 0.208 194 Q C -0.571 175.290 176.000 -0.231 0.000 0.958 194 Q CA 0.607 56.268 55.803 -0.238 0.000 0.932 194 Q CB -0.304 28.192 28.738 -0.403 0.000 1.007 194 Q HN 0.413 nan 8.270 nan 0.000 0.508 195 Y N 1.789 122.105 120.300 0.027 0.000 2.341 195 Y HA 0.280 4.837 4.550 0.011 0.000 0.337 195 Y C 0.676 176.417 175.900 -0.264 0.000 1.014 195 Y CA -1.075 56.971 58.100 -0.091 0.000 1.111 195 Y CB 1.502 39.870 38.460 -0.153 0.000 1.194 195 Y HN 0.091 nan 8.280 nan 0.000 0.462 196 S N 2.481 117.885 115.700 -0.493 0.000 2.608 196 S HA 0.155 4.632 4.470 0.012 0.000 0.261 196 S C -2.039 172.238 174.600 -0.540 0.000 1.314 196 S CA -1.028 56.435 58.200 -1.227 0.000 0.992 196 S CB 1.016 63.583 63.200 -1.056 0.000 0.935 196 S HN 0.437 nan 8.310 nan 0.000 0.564 197 P HA -0.088 nan 4.420 nan 0.000 0.216 197 P C 1.417 178.620 177.300 -0.162 0.000 1.150 197 P CA 1.261 64.219 63.100 -0.237 0.000 0.837 197 P CB 0.042 31.641 31.700 -0.168 0.000 0.786 198 K N -0.088 120.180 120.400 -0.220 0.000 2.097 198 K HA -0.170 4.157 4.320 0.012 0.000 0.205 198 K C 2.085 178.626 176.600 -0.098 0.000 1.050 198 K CA 1.328 57.553 56.287 -0.104 0.000 0.938 198 K CB -0.169 32.260 32.500 -0.120 0.000 0.718 198 K HN 0.122 nan 8.250 nan 0.000 0.442 199 Q N -0.108 119.614 119.800 -0.129 0.000 2.172 199 Q HA -0.128 4.219 4.340 0.012 0.000 0.200 199 Q C 2.177 178.038 176.000 -0.231 0.000 0.964 199 Q CA 1.147 56.895 55.803 -0.092 0.000 0.855 199 Q CB -0.033 28.731 28.738 0.044 0.000 0.918 199 Q HN 0.258 nan 8.270 nan 0.000 0.444 200 R N 0.408 120.786 120.500 -0.203 0.000 2.066 200 R HA -0.123 4.224 4.340 0.012 0.000 0.232 200 R C 2.051 178.253 176.300 -0.163 0.000 1.131 200 R CA 1.243 57.191 56.100 -0.254 0.000 0.955 200 R CB -0.094 30.148 30.300 -0.096 0.000 0.851 200 R HN 0.092 nan 8.270 nan 0.000 0.432 201 V N 1.501 121.351 119.914 -0.107 0.000 2.343 201 V HA -0.232 3.895 4.120 0.012 0.000 0.247 201 V C 2.383 178.405 176.094 -0.119 0.000 1.051 201 V CA 2.212 64.458 62.300 -0.091 0.000 1.036 201 V CB -0.641 31.169 31.823 -0.021 0.000 0.654 201 V HN 0.502 nan 8.190 nan 0.000 0.451 202 E N -0.136 120.006 120.200 -0.096 0.000 2.058 202 E HA -0.290 4.067 4.350 0.012 0.000 0.194 202 E C 2.131 178.666 176.600 -0.108 0.000 0.997 202 E CA 1.853 58.200 56.400 -0.088 0.000 0.801 202 E CB -0.248 29.422 29.700 -0.050 0.000 0.746 202 E HN 0.596 nan 8.360 nan 0.000 0.450 203 F N 0.996 120.759 119.950 -0.312 0.000 2.102 203 F HA -0.171 4.363 4.527 0.011 0.000 0.298 203 F C 2.026 177.691 175.800 -0.225 0.000 1.105 203 F CA 1.301 59.104 58.000 -0.328 0.000 1.239 203 F CB -0.044 38.578 39.000 -0.630 0.000 0.991 203 F HN 0.006 nan 8.300 nan 0.000 0.474 204 L N -0.626 120.463 121.223 -0.224 0.000 2.017 204 L HA -0.222 4.125 4.340 0.012 0.000 0.208 204 L C 2.334 179.050 176.870 -0.256 0.000 1.073 204 L CA 0.989 55.675 54.840 -0.257 0.000 0.745 204 L CB -0.776 41.180 42.059 -0.171 0.000 0.894 204 L HN 0.032 nan 8.230 nan 0.000 0.432 205 V N 0.036 119.783 119.914 -0.279 0.000 2.358 205 V HA -0.271 3.856 4.120 0.012 0.000 0.246 205 V C 2.015 177.987 176.094 -0.204 0.000 1.047 205 V CA 2.077 64.184 62.300 -0.322 0.000 1.035 205 V CB -0.732 30.763 31.823 -0.547 0.000 0.658 205 V HN 0.502 nan 8.190 nan 0.000 0.452 206 N N -0.358 118.214 118.700 -0.213 0.000 2.120 206 N HA -0.168 4.579 4.740 0.012 0.000 0.188 206 N C 1.814 177.203 175.510 -0.201 0.000 1.024 206 N CA 1.732 54.679 53.050 -0.173 0.000 0.852 206 N CB -0.190 38.205 38.487 -0.152 0.000 1.003 206 N HN 0.432 nan 8.380 nan 0.000 0.424 207 T N 0.322 114.678 114.554 -0.330 0.000 2.708 207 T HA -0.181 4.176 4.350 0.012 0.000 0.266 207 T C 1.327 175.936 174.700 -0.153 0.000 1.037 207 T CA 0.750 62.646 62.100 -0.339 0.000 1.146 207 T CB -0.314 68.207 68.868 -0.578 0.000 0.865 207 T HN 0.436 nan 8.240 nan 0.000 0.435 208 W N 2.201 123.334 121.300 -0.277 0.000 2.335 208 W HA -0.112 4.555 4.660 0.011 0.000 0.311 208 W C 1.864 178.289 176.519 -0.155 0.000 1.213 208 W CA 1.237 58.461 57.345 -0.202 0.000 1.274 208 W CB -0.163 29.173 29.460 -0.207 0.000 1.148 208 W HN 0.250 nan 8.180 nan 0.000 0.498 209 K N 0.224 120.631 120.400 0.012 0.000 2.362 209 K HA -0.124 4.203 4.320 0.012 0.000 0.200 209 K C 2.071 178.606 176.600 -0.108 0.000 1.046 209 K CA 1.501 57.759 56.287 -0.049 0.000 0.952 209 K CB -0.253 32.236 32.500 -0.018 0.000 0.753 209 K HN 0.058 nan 8.250 nan 0.000 0.466 210 S N 0.450 116.072 115.700 -0.129 0.000 2.522 210 S HA 0.019 4.496 4.470 0.012 0.000 0.227 210 S C 0.487 175.002 174.600 -0.141 0.000 0.986 210 S CA 0.180 58.307 58.200 -0.121 0.000 0.929 210 S CB 0.081 63.209 63.200 -0.119 0.000 0.769 210 S HN -0.035 nan 8.310 nan 0.000 0.529 211 K N 1.702 121.978 120.400 -0.206 0.000 2.110 211 K HA 0.319 4.646 4.320 0.012 0.000 0.263 211 K C 0.712 177.194 176.600 -0.197 0.000 0.975 211 K CA -0.499 55.657 56.287 -0.217 0.000 0.895 211 K CB 1.516 33.827 32.500 -0.314 0.000 1.060 211 K HN 0.132 nan 8.250 nan 0.000 0.448 212 K N 0.564 120.877 120.400 -0.145 0.000 2.026 212 K HA -0.109 4.218 4.320 0.012 0.000 0.208 212 K C 0.091 176.611 176.600 -0.134 0.000 1.048 212 K CA 1.225 57.444 56.287 -0.114 0.000 0.929 212 K CB 0.138 32.590 32.500 -0.081 0.000 0.713 212 K HN 0.522 nan 8.250 nan 0.000 0.439 213 C N 2.791 121.997 119.300 -0.157 0.000 2.654 213 C HA 0.490 4.957 4.460 0.012 0.000 0.315 213 C C -2.757 172.090 174.990 -0.239 0.000 1.054 213 C CA -2.365 56.557 59.018 -0.160 0.000 1.419 213 C CB 0.905 28.595 27.740 -0.085 0.000 1.889 213 C HN 0.299 nan 8.230 nan 0.000 0.447 214 P HA 0.281 nan 4.420 nan 0.000 0.278 214 P C -0.778 176.170 177.300 -0.586 0.000 1.238 214 P CA 0.001 62.625 63.100 -0.793 0.000 0.794 214 P CB 1.176 31.797 31.700 -1.799 0.000 0.955 215 M N 2.186 121.549 119.600 -0.396 0.000 2.457 215 M HA 0.656 5.143 4.480 0.012 0.000 0.300 215 M C -1.139 175.123 176.300 -0.063 0.000 1.141 215 M CA -0.314 54.847 55.300 -0.232 0.000 0.901 215 M CB 2.379 34.876 32.600 -0.171 0.000 1.687 215 M HN 0.578 nan 8.290 nan 0.000 0.449 216 G N 3.615 112.488 108.800 0.121 0.000 2.642 216 G HA2 0.846 4.813 3.960 0.012 0.000 0.293 216 G HA3 0.846 4.813 3.960 0.012 0.000 0.293 216 G C -2.002 172.979 174.900 0.135 0.000 1.341 216 G CA -0.641 44.539 45.100 0.132 0.000 0.916 216 G HN 0.796 nan 8.290 nan 0.000 0.474 217 F N -0.483 119.435 119.950 -0.053 0.000 2.641 217 F HA 0.767 5.301 4.527 0.011 0.000 0.308 217 F C -0.135 175.656 175.800 -0.015 0.000 1.105 217 F CA -1.444 56.525 58.000 -0.051 0.000 0.964 217 F CB 1.322 40.279 39.000 -0.072 0.000 1.294 217 F HN 0.622 nan 8.300 nan 0.000 0.442 218 S N 1.313 117.101 115.700 0.146 0.000 2.616 218 S HA 0.605 5.082 4.470 0.012 0.000 0.277 218 S C -1.452 173.363 174.600 0.358 0.000 1.234 218 S CA -0.538 57.738 58.200 0.127 0.000 1.028 218 S CB 1.525 64.770 63.200 0.075 0.000 0.988 218 S HN 0.843 nan 8.310 nan 0.000 0.522 219 Y N 1.170 121.599 120.300 0.214 0.000 2.326 219 Y HA 0.437 4.993 4.550 0.011 0.000 0.331 219 Y C -1.097 174.934 175.900 0.217 0.000 0.962 219 Y CA -0.894 57.389 58.100 0.305 0.000 1.167 219 Y CB 1.471 40.218 38.460 0.479 0.000 1.148 219 Y HN 0.851 nan 8.280 nan 0.000 0.463 220 D N 4.448 124.696 120.400 -0.253 0.000 2.412 220 D HA 0.226 4.872 4.640 0.012 0.000 0.224 220 D C -0.759 175.393 176.300 -0.247 0.000 1.093 220 D CA -0.078 53.838 54.000 -0.140 0.000 0.850 220 D CB 0.953 41.700 40.800 -0.089 0.000 1.046 220 D HN 0.471 nan 8.370 nan 0.000 0.507 221 T N 3.699 118.276 114.554 0.040 0.000 2.851 221 T HA 0.127 4.484 4.350 0.012 0.000 0.298 221 T C 0.477 175.261 174.700 0.141 0.000 0.977 221 T CA -0.426 61.775 62.100 0.170 0.000 1.126 221 T CB 0.657 69.842 68.868 0.529 0.000 0.916 221 T HN 0.294 nan 8.240 nan 0.000 0.529 222 R N 2.276 122.819 120.500 0.071 0.000 2.351 222 R HA 0.147 4.494 4.340 0.012 0.000 0.318 222 R C -0.226 176.160 176.300 0.143 0.000 1.055 222 R CA -0.261 55.874 56.100 0.059 0.000 0.968 222 R CB -0.594 29.689 30.300 -0.028 0.000 0.974 222 R HN 0.932 nan 8.270 nan 0.000 0.439 223 C N 5.643 125.056 119.300 0.190 0.000 3.514 223 C HA -0.163 4.304 4.460 0.012 0.000 0.286 223 C C 1.312 176.497 174.990 0.325 0.000 1.302 223 C CA 0.162 59.340 59.018 0.267 0.000 2.239 223 C CB -2.928 25.005 27.740 0.321 0.000 1.429 223 C HN 1.014 nan 8.230 nan 0.000 0.565 224 F N 1.914 121.972 119.950 0.180 0.000 2.091 224 F HA -0.165 4.370 4.527 0.014 0.000 0.299 224 F C 1.915 177.822 175.800 0.178 0.000 1.103 224 F CA 2.407 60.516 58.000 0.181 0.000 1.228 224 F CB -0.034 39.063 39.000 0.163 0.000 0.984 224 F HN 0.460 nan 8.300 nan 0.000 0.477 225 D N -0.420 120.246 120.400 0.443 0.000 2.158 225 D HA -0.173 4.474 4.640 0.012 0.000 0.197 225 D C 2.452 178.838 176.300 0.143 0.000 0.995 225 D CA 1.654 55.837 54.000 0.305 0.000 0.846 225 D CB -0.501 40.468 40.800 0.281 0.000 0.941 225 D HN 0.247 nan 8.370 nan 0.000 0.456 226 S N -0.685 115.120 115.700 0.174 0.000 2.453 226 S HA -0.093 4.384 4.470 0.012 0.000 0.231 226 S C 1.994 176.582 174.600 -0.021 0.000 1.005 226 S CA 1.334 59.565 58.200 0.050 0.000 0.949 226 S CB -0.151 63.152 63.200 0.171 0.000 0.774 226 S HN 0.530 nan 8.310 nan 0.000 0.510 227 T N -0.611 113.989 114.554 0.076 0.000 3.088 227 T HA 0.140 4.497 4.350 0.012 0.000 0.259 227 T C 0.594 175.225 174.700 -0.116 0.000 1.122 227 T CA 0.019 62.139 62.100 0.035 0.000 1.095 227 T CB -0.358 68.480 68.868 -0.050 0.000 0.930 227 T HN 0.022 nan 8.240 nan 0.000 0.508 228 V N 4.139 123.957 119.914 -0.159 0.000 2.446 228 V HA 0.302 4.429 4.120 0.012 0.000 0.276 228 V C 1.149 177.197 176.094 -0.077 0.000 1.030 228 V CA -0.251 61.979 62.300 -0.118 0.000 1.033 228 V CB 0.006 31.808 31.823 -0.034 0.000 0.993 228 V HN 0.713 nan 8.190 nan 0.000 0.477 229 T N 1.104 115.623 114.554 -0.057 0.000 2.862 229 T HA 0.360 4.717 4.350 0.012 0.000 0.276 229 T C 0.972 175.652 174.700 -0.033 0.000 0.974 229 T CA -0.623 61.445 62.100 -0.053 0.000 0.966 229 T CB 1.339 70.181 68.868 -0.044 0.000 1.072 229 T HN 0.613 nan 8.240 nan 0.000 0.538 230 E N 0.299 120.480 120.200 -0.033 0.000 2.085 230 E HA -0.140 4.217 4.350 0.012 0.000 0.194 230 E C 2.299 178.897 176.600 -0.003 0.000 0.994 230 E CA 1.283 57.675 56.400 -0.012 0.000 0.801 230 E CB -0.274 29.418 29.700 -0.015 0.000 0.743 230 E HN 0.656 nan 8.360 nan 0.000 0.453 231 S N 0.750 116.442 115.700 -0.013 0.000 2.374 231 S HA -0.230 4.247 4.470 0.012 0.000 0.227 231 S C 1.539 176.146 174.600 0.012 0.000 1.037 231 S CA 1.740 59.935 58.200 -0.007 0.000 1.024 231 S CB -0.313 62.870 63.200 -0.029 0.000 0.861 231 S HN 0.176 nan 8.310 nan 0.000 0.456 232 D N 0.986 121.393 120.400 0.011 0.000 2.123 232 D HA -0.054 4.593 4.640 0.012 0.000 0.196 232 D C 1.875 178.188 176.300 0.020 0.000 0.992 232 D CA 1.266 55.288 54.000 0.035 0.000 0.833 232 D CB -0.400 40.415 40.800 0.026 0.000 0.954 232 D HN 0.487 nan 8.370 nan 0.000 0.455 233 I N 0.524 121.106 120.570 0.019 0.000 2.315 233 I HA -0.173 4.004 4.170 0.012 0.000 0.248 233 I C 2.430 178.555 176.117 0.014 0.000 1.117 233 I CA 0.793 62.109 61.300 0.027 0.000 1.404 233 I CB -0.016 38.023 38.000 0.065 0.000 1.071 233 I HN -0.105 nan 8.210 nan 0.000 0.419 234 R N -0.040 120.469 120.500 0.015 0.000 2.115 234 R HA -0.068 4.279 4.340 0.012 0.000 0.226 234 R C 2.310 178.597 176.300 -0.022 0.000 1.100 234 R CA 0.929 57.033 56.100 0.007 0.000 0.980 234 R CB -0.353 29.955 30.300 0.013 0.000 0.875 234 R HN 0.203 nan 8.270 nan 0.000 0.445 235 V N 1.566 121.472 119.914 -0.015 0.000 2.295 235 V HA -0.245 3.882 4.120 0.012 0.000 0.246 235 V C 1.966 177.985 176.094 -0.124 0.000 1.049 235 V CA 1.849 64.132 62.300 -0.028 0.000 1.024 235 V CB -0.398 31.452 31.823 0.045 0.000 0.648 235 V HN 0.347 nan 8.190 nan 0.000 0.447 236 E N -0.263 119.835 120.200 -0.169 0.000 2.085 236 E HA -0.286 4.071 4.350 0.012 0.000 0.194 236 E C 2.306 178.510 176.600 -0.661 0.000 0.994 236 E CA 1.500 57.664 56.400 -0.393 0.000 0.801 236 E CB -0.191 29.309 29.700 -0.332 0.000 0.743 236 E HN 0.655 nan 8.360 nan 0.000 0.453 237 E N 0.723 120.720 120.200 -0.339 0.000 2.110 237 E HA -0.203 4.154 4.350 0.012 0.000 0.193 237 E C 2.132 178.667 176.600 -0.109 0.000 0.988 237 E CA 1.444 57.744 56.400 -0.166 0.000 0.804 237 E CB -0.001 29.726 29.700 0.045 0.000 0.745 237 E HN 0.220 nan 8.360 nan 0.000 0.458 238 S N 0.304 115.942 115.700 -0.103 0.000 2.400 238 S HA -0.155 4.322 4.470 0.012 0.000 0.232 238 S C 2.016 176.577 174.600 -0.065 0.000 1.025 238 S CA 1.080 59.247 58.200 -0.054 0.000 0.993 238 S CB -0.513 62.662 63.200 -0.041 0.000 0.808 238 S HN 0.328 nan 8.310 nan 0.000 0.478 239 I N -0.089 120.393 120.570 -0.147 0.000 2.233 239 I HA -0.092 4.085 4.170 0.012 0.000 0.243 239 I C 2.298 178.420 176.117 0.010 0.000 1.093 239 I CA 1.144 62.377 61.300 -0.111 0.000 1.380 239 I CB -0.547 37.343 38.000 -0.183 0.000 1.067 239 I HN 0.208 nan 8.210 nan 0.000 0.413 240 Y N 1.233 121.526 120.300 -0.012 0.000 2.207 240 Y HA -0.236 4.321 4.550 0.011 0.000 0.287 240 Y C 2.627 178.529 175.900 0.004 0.000 1.156 240 Y CA 0.722 58.820 58.100 -0.005 0.000 1.182 240 Y CB -1.083 37.387 38.460 0.017 0.000 0.979 240 Y HN 0.268 nan 8.280 nan 0.000 0.521 241 Q N -1.351 118.543 119.800 0.156 0.000 2.437 241 Q HA -0.102 4.245 4.340 0.012 0.000 0.210 241 Q C 2.187 178.222 176.000 0.058 0.000 0.972 241 Q CA 0.818 56.677 55.803 0.092 0.000 0.903 241 Q CB -0.648 28.127 28.738 0.063 0.000 0.967 241 Q HN 0.514 nan 8.270 nan 0.000 0.486 242 C N -0.006 119.325 119.300 0.051 0.000 2.481 242 C HA 0.029 4.496 4.460 0.012 0.000 0.275 242 C C 1.501 176.509 174.990 0.030 0.000 1.419 242 C CA -0.797 58.239 59.018 0.029 0.000 1.773 242 C CB -0.695 27.053 27.740 0.013 0.000 1.862 242 C HN 0.388 nan 8.230 nan 0.000 0.530 243 C N 1.515 120.842 119.300 0.045 0.000 2.656 243 C HA 0.185 4.652 4.460 0.012 0.000 0.391 243 C C 0.486 175.492 174.990 0.028 0.000 1.300 243 C CA -0.301 58.736 59.018 0.031 0.000 2.302 243 C CB -0.401 27.360 27.740 0.034 0.000 2.655 243 C HN 0.545 nan 8.230 nan 0.000 0.656 244 D N 1.012 121.423 120.400 0.019 0.000 2.343 244 D HA 0.483 5.130 4.640 0.012 0.000 0.255 244 D C -0.821 175.495 176.300 0.026 0.000 1.187 244 D CA 0.228 54.241 54.000 0.020 0.000 0.875 244 D CB 0.284 41.092 40.800 0.014 0.000 1.136 244 D HN 0.358 nan 8.370 nan 0.000 0.469 245 L N 2.856 124.099 121.223 0.033 0.000 2.388 245 L HA 0.630 4.977 4.340 0.012 0.000 0.264 245 L C 0.103 177.001 176.870 0.046 0.000 0.998 245 L CA -1.433 53.433 54.840 0.043 0.000 0.817 245 L CB 1.925 44.016 42.059 0.053 0.000 1.338 245 L HN 0.456 nan 8.230 nan 0.000 0.414 246 A N 2.720 125.575 122.820 0.057 0.000 2.483 246 A HA 0.307 4.634 4.320 0.012 0.000 0.238 246 A C -1.776 175.851 177.584 0.072 0.000 1.070 246 A CA -0.701 51.375 52.037 0.064 0.000 0.770 246 A CB -0.187 18.860 19.000 0.079 0.000 1.008 246 A HN 0.634 nan 8.150 nan 0.000 0.497 247 P HA -0.174 nan 4.420 nan 0.000 0.215 247 P C 1.089 178.424 177.300 0.059 0.000 1.157 247 P CA 1.687 64.817 63.100 0.049 0.000 0.874 247 P CB 0.120 31.844 31.700 0.040 0.000 0.790 248 E N -0.647 119.618 120.200 0.107 0.000 2.110 248 E HA -0.137 4.220 4.350 0.012 0.000 0.193 248 E C 2.074 178.769 176.600 0.159 0.000 0.988 248 E CA 1.107 57.595 56.400 0.146 0.000 0.804 248 E CB -0.485 29.416 29.700 0.335 0.000 0.745 248 E HN 0.156 nan 8.360 nan 0.000 0.458 249 A N 1.562 124.514 122.820 0.221 0.000 1.902 249 A HA -0.208 4.119 4.320 0.012 0.000 0.217 249 A C 2.106 179.744 177.584 0.091 0.000 1.181 249 A CA 1.451 53.613 52.037 0.209 0.000 0.623 249 A CB -0.431 18.675 19.000 0.177 0.000 0.818 249 A HN 0.069 nan 8.150 nan 0.000 0.443 250 R N -0.991 119.547 120.500 0.063 0.000 2.081 250 R HA -0.208 4.139 4.340 0.012 0.000 0.235 250 R C 2.425 178.726 176.300 0.001 0.000 1.131 250 R CA 1.899 58.023 56.100 0.039 0.000 0.960 250 R CB -0.218 30.103 30.300 0.035 0.000 0.856 250 R HN 0.562 nan 8.270 nan 0.000 0.436 251 Q N 0.196 119.974 119.800 -0.036 0.000 2.079 251 Q HA -0.052 4.295 4.340 0.012 0.000 0.200 251 Q C 1.801 177.708 176.000 -0.155 0.000 0.974 251 Q CA 2.088 57.836 55.803 -0.091 0.000 0.840 251 Q CB -0.295 28.373 28.738 -0.118 0.000 0.898 251 Q HN 0.405 nan 8.270 nan 0.000 0.430 252 A N 0.252 122.933 122.820 -0.231 0.000 1.908 252 A HA -0.169 4.157 4.320 0.012 0.000 0.218 252 A C 2.142 179.649 177.584 -0.129 0.000 1.181 252 A CA 1.626 53.467 52.037 -0.326 0.000 0.627 252 A CB -0.795 17.898 19.000 -0.512 0.000 0.818 252 A HN 0.489 nan 8.150 nan 0.000 0.445 253 I N -1.240 119.319 120.570 -0.018 0.000 2.252 253 I HA -0.235 3.942 4.170 0.012 0.000 0.245 253 I C 2.668 178.821 176.117 0.060 0.000 1.102 253 I CA 1.681 63.026 61.300 0.074 0.000 1.385 253 I CB -0.250 37.826 38.000 0.128 0.000 1.064 253 I HN 0.333 nan 8.210 nan 0.000 0.414 254 R N 1.026 121.536 120.500 0.016 0.000 2.073 254 R HA -0.135 4.212 4.340 0.012 0.000 0.234 254 R C 2.312 178.589 176.300 -0.038 0.000 1.134 254 R CA 2.146 58.248 56.100 0.004 0.000 0.952 254 R CB -0.461 29.832 30.300 -0.012 0.000 0.850 254 R HN 0.152 nan 8.270 nan 0.000 0.433 255 S N 0.261 115.908 115.700 -0.089 0.000 2.368 255 S HA -0.032 4.445 4.470 0.012 0.000 0.224 255 S C 1.822 176.326 174.600 -0.160 0.000 1.029 255 S CA 1.259 59.386 58.200 -0.123 0.000 0.988 255 S CB -0.248 62.852 63.200 -0.167 0.000 0.838 255 S HN 0.258 nan 8.310 nan 0.000 0.462 256 L N 1.072 122.171 121.223 -0.207 0.000 2.046 256 L HA -0.140 4.207 4.340 0.012 0.000 0.208 256 L C 2.694 179.280 176.870 -0.473 0.000 1.077 256 L CA 1.168 55.765 54.840 -0.406 0.000 0.747 256 L CB -1.108 40.669 42.059 -0.471 0.000 0.896 256 L HN 0.306 nan 8.230 nan 0.000 0.432 257 T N -0.825 113.640 114.554 -0.147 0.000 2.652 257 T HA -0.188 4.169 4.350 0.012 0.000 0.267 257 T C 1.767 176.466 174.700 -0.001 0.000 1.039 257 T CA 1.410 63.546 62.100 0.059 0.000 1.153 257 T CB -0.121 68.840 68.868 0.154 0.000 0.863 257 T HN 0.299 nan 8.240 nan 0.000 0.428 258 E N 0.677 120.858 120.200 -0.032 0.000 2.216 258 E HA 0.037 4.394 4.350 0.012 0.000 0.192 258 E C 2.279 178.855 176.600 -0.040 0.000 0.988 258 E CA 0.685 57.072 56.400 -0.021 0.000 0.834 258 E CB -0.050 29.637 29.700 -0.021 0.000 0.772 258 E HN 0.455 nan 8.360 nan 0.000 0.479 259 R N -0.553 119.893 120.500 -0.091 0.000 2.265 259 R HA 0.137 4.484 4.340 0.012 0.000 0.194 259 R C 1.674 177.908 176.300 -0.109 0.000 0.931 259 R CA 0.207 56.254 56.100 -0.088 0.000 1.032 259 R CB 0.405 30.643 30.300 -0.102 0.000 0.980 259 R HN 0.019 nan 8.270 nan 0.000 0.497 260 L N -2.343 118.777 121.223 -0.172 0.000 2.658 260 L HA 0.197 4.543 4.340 0.012 0.000 0.201 260 L C 1.118 177.972 176.870 -0.028 0.000 1.050 260 L CA 0.735 55.476 54.840 -0.165 0.000 0.893 260 L CB -0.161 41.715 42.059 -0.305 0.000 1.503 260 L HN -0.137 nan 8.230 nan 0.000 0.485 261 Y N 0.069 120.384 120.300 0.026 0.000 2.242 261 Y HA -0.004 4.552 4.550 0.010 0.000 0.291 261 Y C 2.579 178.487 175.900 0.014 0.000 1.137 261 Y CA 1.393 59.516 58.100 0.039 0.000 1.181 261 Y CB -0.653 37.851 38.460 0.074 0.000 0.989 261 Y HN 0.174 nan 8.280 nan 0.000 0.527 262 I N -0.800 119.855 120.570 0.141 0.000 2.830 262 I HA 0.105 4.282 4.170 0.012 0.000 0.263 262 I C 0.986 177.116 176.117 0.022 0.000 1.230 262 I CA 1.089 62.432 61.300 0.072 0.000 1.480 262 I CB -0.212 37.821 38.000 0.054 0.000 1.095 262 I HN 0.279 nan 8.210 nan 0.000 0.455 263 G N -1.020 107.777 108.800 -0.005 0.000 2.359 263 G HA2 0.427 4.394 3.960 0.012 0.000 0.293 263 G HA3 0.427 4.394 3.960 0.012 0.000 0.293 263 G C -0.694 174.077 174.900 -0.215 0.000 1.300 263 G CA -0.348 44.693 45.100 -0.098 0.000 0.888 263 G HN 0.544 nan 8.290 nan 0.000 0.541 264 G N -1.105 107.319 108.800 -0.627 0.000 2.337 264 G HA2 0.686 4.653 3.960 0.012 0.000 0.298 264 G HA3 0.686 4.653 3.960 0.012 0.000 0.298 264 G C -3.466 170.727 174.900 -1.178 0.000 1.335 264 G CA 0.243 44.843 45.100 -0.833 0.000 0.875 264 G HN 0.905 nan 8.290 nan 0.000 0.579 265 P HA 0.494 nan 4.420 nan 0.000 0.275 265 P C -0.564 176.613 177.300 -0.205 0.000 1.228 265 P CA -0.152 62.745 63.100 -0.338 0.000 0.786 265 P CB 1.178 32.843 31.700 -0.058 0.000 0.927 266 L N 2.104 123.266 121.223 -0.102 0.000 2.322 266 L HA 0.489 4.836 4.340 0.012 0.000 0.281 266 L C 0.443 177.316 176.870 0.004 0.000 1.014 266 L CA -0.253 54.565 54.840 -0.036 0.000 0.815 266 L CB 1.804 43.888 42.059 0.042 0.000 1.247 266 L HN 0.276 nan 8.230 nan 0.000 0.421 267 T N 1.290 115.828 114.554 -0.027 0.000 2.841 267 T HA 0.353 4.710 4.350 0.012 0.000 0.283 267 T C -0.270 174.414 174.700 -0.027 0.000 1.000 267 T CA -0.839 61.250 62.100 -0.019 0.000 0.977 267 T CB 1.567 70.411 68.868 -0.041 0.000 0.979 267 T HN 0.657 nan 8.240 nan 0.000 0.446 268 N N 0.539 119.239 118.700 -0.001 0.000 2.405 268 N HA 0.154 4.901 4.740 0.012 0.000 0.269 268 N C 1.430 176.931 175.510 -0.014 0.000 1.249 268 N CA -0.370 52.679 53.050 -0.002 0.000 0.974 268 N CB 0.079 38.575 38.487 0.015 0.000 1.204 268 N HN 0.453 nan 8.380 nan 0.000 0.565 269 S N -1.200 114.500 115.700 -0.000 0.000 2.469 269 S HA -0.102 4.375 4.470 0.012 0.000 0.238 269 S C 1.043 175.641 174.600 -0.003 0.000 0.998 269 S CA 0.712 58.915 58.200 0.005 0.000 0.957 269 S CB -0.437 62.778 63.200 0.026 0.000 0.764 269 S HN 0.627 nan 8.310 nan 0.000 0.514 270 K N 0.584 120.982 120.400 -0.003 0.000 2.444 270 K HA 0.259 4.585 4.320 0.012 0.000 0.193 270 K C 1.245 177.838 176.600 -0.011 0.000 1.024 270 K CA 0.393 56.678 56.287 -0.005 0.000 1.077 270 K CB -0.053 32.448 32.500 0.001 0.000 0.833 270 K HN 0.551 nan 8.250 nan 0.000 0.517 271 G N 1.737 110.528 108.800 -0.016 0.000 2.157 271 G HA2 -0.274 3.692 3.960 0.012 0.000 0.239 271 G HA3 -0.274 3.692 3.960 0.012 0.000 0.239 271 G C -0.272 174.624 174.900 -0.006 0.000 0.982 271 G CA -0.181 44.907 45.100 -0.020 0.000 0.650 271 G HN 0.334 nan 8.290 nan 0.000 0.527 272 Q N 0.041 119.843 119.800 0.004 0.000 2.259 272 Q HA 0.428 4.775 4.340 0.012 0.000 0.249 272 Q C 0.214 176.231 176.000 0.029 0.000 0.914 272 Q CA -0.751 55.063 55.803 0.018 0.000 0.904 272 Q CB 0.859 29.610 28.738 0.022 0.000 1.213 272 Q HN 0.220 nan 8.270 nan 0.000 0.428 273 N N 1.075 119.798 118.700 0.039 0.000 2.438 273 N HA -0.024 4.723 4.740 0.012 0.000 0.267 273 N C -0.404 175.159 175.510 0.088 0.000 1.222 273 N CA 0.106 53.190 53.050 0.057 0.000 0.930 273 N CB 0.436 38.958 38.487 0.058 0.000 1.083 273 N HN 0.602 nan 8.380 nan 0.000 0.476 274 C N 2.140 121.509 119.300 0.115 0.000 2.611 274 C HA 0.548 5.015 4.460 0.012 0.000 0.282 274 C C 1.275 176.437 174.990 0.286 0.000 1.321 274 C CA 0.781 59.919 59.018 0.200 0.000 1.747 274 C CB -1.178 26.698 27.740 0.227 0.000 2.124 274 C HN 0.915 nan 8.230 nan 0.000 0.531 275 G N -1.636 107.267 108.800 0.172 0.000 2.403 275 G HA2 0.270 4.237 3.960 0.012 0.000 0.223 275 G HA3 0.270 4.237 3.960 0.012 0.000 0.223 275 G C -2.068 172.869 174.900 0.062 0.000 1.287 275 G CA -0.336 44.826 45.100 0.103 0.000 0.982 275 G HN 0.055 nan 8.290 nan 0.000 0.471 276 Y N 0.623 120.811 120.300 -0.186 0.000 2.470 276 Y HA 0.739 5.299 4.550 0.016 0.000 0.341 276 Y C -0.073 175.695 175.900 -0.220 0.000 1.021 276 Y CA -0.826 57.182 58.100 -0.153 0.000 1.025 276 Y CB 2.003 40.384 38.460 -0.131 0.000 1.266 276 Y HN 0.710 nan 8.280 nan 0.000 0.448 277 R N 4.666 124.962 120.500 -0.339 0.000 2.460 277 R HA 0.570 4.917 4.340 0.012 0.000 0.303 277 R C -0.788 175.359 176.300 -0.255 0.000 0.968 277 R CA -0.597 55.289 56.100 -0.358 0.000 0.889 277 R CB 0.937 31.076 30.300 -0.269 0.000 1.123 277 R HN 0.907 nan 8.270 nan 0.000 0.455 278 R N 3.301 123.609 120.500 -0.320 0.000 2.690 278 R HA 0.221 4.568 4.340 0.012 0.000 0.419 278 R C -0.600 175.559 176.300 -0.235 0.000 1.090 278 R CA -0.347 55.648 56.100 -0.175 0.000 1.064 278 R CB 0.420 30.653 30.300 -0.111 0.000 1.391 278 R HN 0.790 nan 8.270 nan 0.000 0.586 279 C N -2.037 117.082 119.300 -0.302 0.000 3.295 279 C HA 0.621 5.088 4.460 0.012 0.000 0.370 279 C C -0.348 174.580 174.990 -0.103 0.000 1.974 279 C CA -1.500 57.386 59.018 -0.220 0.000 1.282 279 C CB 1.165 28.711 27.740 -0.323 0.000 2.380 279 C HN 0.337 nan 8.230 nan 0.000 0.443 280 R N 1.191 121.681 120.500 -0.017 0.000 2.489 280 R HA 0.518 4.865 4.340 0.012 0.000 0.287 280 R C 0.066 176.426 176.300 0.099 0.000 1.053 280 R CA 0.869 57.012 56.100 0.071 0.000 1.036 280 R CB -0.002 30.380 30.300 0.137 0.000 0.966 280 R HN 1.166 nan 8.270 nan 0.000 0.432 281 A N 3.343 126.236 122.820 0.121 0.000 2.363 281 A HA 0.243 4.570 4.320 0.012 0.000 0.270 281 A C 1.100 178.787 177.584 0.172 0.000 1.121 281 A CA 0.091 52.221 52.037 0.156 0.000 0.800 281 A CB 0.572 19.669 19.000 0.162 0.000 1.052 281 A HN 1.034 nan 8.150 nan 0.000 0.493 282 S N 2.158 117.973 115.700 0.193 0.000 2.406 282 S HA 0.020 4.497 4.470 0.012 0.000 0.228 282 S C 1.142 175.843 174.600 0.169 0.000 1.020 282 S CA 1.035 59.343 58.200 0.180 0.000 0.965 282 S CB -0.182 63.131 63.200 0.187 0.000 0.798 282 S HN 1.354 nan 8.310 nan 0.000 0.488 283 G N 2.044 110.969 108.800 0.209 0.000 4.420 283 G HA2 0.534 4.501 3.960 0.012 0.000 0.299 283 G HA3 0.534 4.501 3.960 0.012 0.000 0.299 283 G C -0.248 174.784 174.900 0.220 0.000 1.343 283 G CA -0.055 45.174 45.100 0.214 0.000 1.272 283 G HN 0.710 nan 8.290 nan 0.000 0.610 284 V N -2.194 117.830 119.914 0.184 0.000 3.074 284 V HA 0.573 4.700 4.120 0.012 0.000 0.314 284 V C 1.193 177.365 176.094 0.130 0.000 1.117 284 V CA -0.983 61.441 62.300 0.208 0.000 1.014 284 V CB 1.742 33.752 31.823 0.312 0.000 1.057 284 V HN 0.082 nan 8.190 nan 0.000 0.438 285 L N 2.378 123.690 121.223 0.149 0.000 2.131 285 L HA -0.013 4.334 4.340 0.012 0.000 0.210 285 L C 2.290 179.170 176.870 0.017 0.000 1.092 285 L CA 3.020 57.929 54.840 0.115 0.000 0.759 285 L CB -0.667 41.491 42.059 0.166 0.000 0.903 285 L HN 1.095 nan 8.230 nan 0.000 0.435 286 T N -6.033 108.449 114.554 -0.120 0.000 3.129 286 T HA 0.000 4.357 4.350 0.012 0.000 0.251 286 T C 1.554 176.194 174.700 -0.099 0.000 1.117 286 T CA 0.764 62.750 62.100 -0.189 0.000 1.034 286 T CB -0.652 67.942 68.868 -0.455 0.000 0.968 286 T HN 0.254 nan 8.240 nan 0.000 0.526 287 T N 1.796 116.322 114.554 -0.047 0.000 2.708 287 T HA -0.111 4.246 4.350 0.012 0.000 0.266 287 T C 2.219 176.934 174.700 0.025 0.000 1.037 287 T CA 1.578 63.686 62.100 0.014 0.000 1.146 287 T CB -0.574 68.329 68.868 0.058 0.000 0.865 287 T HN 0.520 nan 8.240 nan 0.000 0.435 288 S N -0.063 115.629 115.700 -0.014 0.000 2.348 288 S HA -0.163 4.314 4.470 0.012 0.000 0.221 288 S C 2.462 177.075 174.600 0.021 0.000 1.033 288 S CA 1.468 59.647 58.200 -0.036 0.000 1.010 288 S CB -0.954 62.121 63.200 -0.208 0.000 0.891 288 S HN 0.673 nan 8.310 nan 0.000 0.442 289 C N 1.281 120.571 119.300 -0.016 0.000 2.436 289 C HA 0.067 4.534 4.460 0.012 0.000 0.277 289 C C 2.854 177.892 174.990 0.079 0.000 1.241 289 C CA 1.233 60.263 59.018 0.019 0.000 1.721 289 C CB -1.812 25.914 27.740 -0.023 0.000 2.043 289 C HN 0.708 nan 8.230 nan 0.000 0.472 290 G N 0.428 109.285 108.800 0.095 0.000 2.440 290 G HA2 -0.226 3.741 3.960 0.012 0.000 0.218 290 G HA3 -0.226 3.741 3.960 0.012 0.000 0.218 290 G C 1.519 176.496 174.900 0.129 0.000 1.154 290 G CA 1.125 46.282 45.100 0.096 0.000 0.767 290 G HN 0.606 nan 8.290 nan 0.000 0.552 291 N N 0.348 119.131 118.700 0.137 0.000 2.120 291 N HA -0.071 4.676 4.740 0.012 0.000 0.188 291 N C 2.415 177.974 175.510 0.083 0.000 1.024 291 N CA 1.567 54.711 53.050 0.156 0.000 0.852 291 N CB -0.691 37.785 38.487 -0.019 0.000 1.003 291 N HN 0.245 nan 8.380 nan 0.000 0.424 292 T N 1.742 116.353 114.554 0.094 0.000 2.708 292 T HA -0.010 4.347 4.350 0.012 0.000 0.266 292 T C 2.140 176.926 174.700 0.144 0.000 1.037 292 T CA 0.673 62.852 62.100 0.130 0.000 1.146 292 T CB -0.322 68.694 68.868 0.247 0.000 0.865 292 T HN 0.125 nan 8.240 nan 0.000 0.435 293 L N 0.658 121.938 121.223 0.096 0.000 2.012 293 L HA -0.147 4.200 4.340 0.012 0.000 0.210 293 L C 2.940 179.896 176.870 0.143 0.000 1.073 293 L CA 1.326 56.205 54.840 0.064 0.000 0.748 293 L CB -1.011 41.042 42.059 -0.011 0.000 0.891 293 L HN 0.303 nan 8.230 nan 0.000 0.431 294 T N -1.465 113.194 114.554 0.175 0.000 2.777 294 T HA -0.227 4.130 4.350 0.012 0.000 0.266 294 T C 2.003 176.888 174.700 0.308 0.000 1.040 294 T CA 1.434 63.670 62.100 0.226 0.000 1.141 294 T CB -0.461 68.583 68.868 0.294 0.000 0.868 294 T HN 0.467 nan 8.240 nan 0.000 0.444 295 C N 0.705 120.237 119.300 0.386 0.000 2.429 295 C HA -0.089 4.378 4.460 0.012 0.000 0.277 295 C C 2.400 177.546 174.990 0.261 0.000 1.262 295 C CA 0.538 59.779 59.018 0.372 0.000 1.733 295 C CB -1.417 26.451 27.740 0.214 0.000 2.010 295 C HN 0.657 nan 8.230 nan 0.000 0.483 296 Y N 1.023 121.386 120.300 0.106 0.000 2.181 296 Y HA -0.122 4.434 4.550 0.011 0.000 0.288 296 Y C 2.170 178.088 175.900 0.031 0.000 1.146 296 Y CA 2.093 60.233 58.100 0.066 0.000 1.164 296 Y CB -0.516 37.967 38.460 0.039 0.000 0.982 296 Y HN 0.345 nan 8.280 nan 0.000 0.515 297 L N 1.060 122.374 121.223 0.152 0.000 1.994 297 L HA -0.169 4.178 4.340 0.012 0.000 0.208 297 L C 2.093 178.875 176.870 -0.147 0.000 1.071 297 L CA 1.987 56.794 54.840 -0.055 0.000 0.745 297 L CB -0.874 41.110 42.059 -0.124 0.000 0.892 297 L HN 0.133 nan 8.230 nan 0.000 0.431 298 K N -0.384 119.998 120.400 -0.030 0.000 2.057 298 K HA -0.059 4.268 4.320 0.012 0.000 0.206 298 K C 2.090 178.723 176.600 0.055 0.000 1.050 298 K CA 1.346 57.629 56.287 -0.006 0.000 0.935 298 K CB -0.416 32.168 32.500 0.140 0.000 0.715 298 K HN 0.497 nan 8.250 nan 0.000 0.439 299 A N 0.904 123.756 122.820 0.052 0.000 1.898 299 A HA -0.120 4.207 4.320 0.012 0.000 0.216 299 A C 2.211 179.851 177.584 0.092 0.000 1.181 299 A CA 1.813 53.924 52.037 0.124 0.000 0.620 299 A CB -0.848 18.277 19.000 0.209 0.000 0.819 299 A HN 0.223 nan 8.150 nan 0.000 0.442 300 T N 0.367 114.840 114.554 -0.135 0.000 2.708 300 T HA -0.032 4.325 4.350 0.012 0.000 0.266 300 T C 2.232 176.887 174.700 -0.074 0.000 1.037 300 T CA 1.615 63.591 62.100 -0.206 0.000 1.146 300 T CB -0.433 68.135 68.868 -0.499 0.000 0.865 300 T HN 0.580 nan 8.240 nan 0.000 0.435 301 A N 1.375 124.169 122.820 -0.042 0.000 1.902 301 A HA 0.177 4.504 4.320 0.012 0.000 0.217 301 A C 2.624 180.284 177.584 0.127 0.000 1.181 301 A CA 1.786 53.862 52.037 0.065 0.000 0.623 301 A CB -1.042 18.017 19.000 0.097 0.000 0.818 301 A HN 0.504 nan 8.150 nan 0.000 0.443 302 A N -1.076 121.844 122.820 0.167 0.000 1.930 302 A HA -0.143 4.184 4.320 0.012 0.000 0.217 302 A C 2.259 179.920 177.584 0.129 0.000 1.175 302 A CA 1.571 53.605 52.037 -0.004 0.000 0.627 302 A CB -1.241 17.456 19.000 -0.505 0.000 0.815 302 A HN 0.591 nan 8.150 nan 0.000 0.443 303 C N -0.749 118.716 119.300 0.274 0.000 2.413 303 C HA -0.101 4.366 4.460 0.012 0.000 0.277 303 C C 2.886 177.899 174.990 0.038 0.000 1.265 303 C CA 1.138 60.302 59.018 0.244 0.000 1.752 303 C CB -1.307 26.518 27.740 0.142 0.000 1.998 303 C HN 0.599 nan 8.230 nan 0.000 0.489 304 R N 1.032 121.472 120.500 -0.100 0.000 2.075 304 R HA -0.056 4.291 4.340 0.012 0.000 0.232 304 R C 2.420 178.496 176.300 -0.374 0.000 1.126 304 R CA 1.521 57.443 56.100 -0.298 0.000 0.963 304 R CB -0.547 29.427 30.300 -0.543 0.000 0.858 304 R HN 0.522 nan 8.270 nan 0.000 0.435 305 A N 1.333 123.952 122.820 -0.336 0.000 1.972 305 A HA -0.062 4.265 4.320 0.012 0.000 0.219 305 A C 2.239 179.811 177.584 -0.019 0.000 1.169 305 A CA 1.647 53.623 52.037 -0.101 0.000 0.635 305 A CB -0.393 18.612 19.000 0.008 0.000 0.810 305 A HN 0.387 nan 8.150 nan 0.000 0.446 306 A N -1.236 121.589 122.820 0.009 0.000 2.169 306 A HA 0.231 4.558 4.320 0.012 0.000 0.212 306 A C 1.038 178.641 177.584 0.032 0.000 1.153 306 A CA 0.806 52.874 52.037 0.052 0.000 0.756 306 A CB -0.369 18.723 19.000 0.154 0.000 0.813 306 A HN 0.491 nan 8.150 nan 0.000 0.471 307 K N -1.230 119.175 120.400 0.008 0.000 3.071 307 K HA -0.154 4.173 4.320 0.012 0.000 0.265 307 K C -0.862 175.745 176.600 0.012 0.000 1.060 307 K CA 0.181 56.471 56.287 0.005 0.000 0.767 307 K CB -1.780 30.727 32.500 0.012 0.000 1.241 307 K HN 0.304 nan 8.250 nan 0.000 0.486 308 L N 1.711 122.948 121.223 0.023 0.000 2.416 308 L HA 0.046 4.393 4.340 0.012 0.000 0.272 308 L C 0.853 177.725 176.870 0.003 0.000 1.161 308 L CA 0.793 55.645 54.840 0.020 0.000 0.845 308 L CB 0.734 42.816 42.059 0.039 0.000 1.119 308 L HN 0.102 nan 8.230 nan 0.000 0.464 309 Q N 3.160 122.957 119.800 -0.005 0.000 2.274 309 Q HA 0.136 4.483 4.340 0.012 0.000 0.256 309 Q C -0.111 175.872 176.000 -0.029 0.000 0.927 309 Q CA -0.271 55.523 55.803 -0.016 0.000 0.939 309 Q CB 0.856 29.583 28.738 -0.017 0.000 1.201 309 Q HN 0.521 nan 8.270 nan 0.000 0.426 310 D N 1.217 121.601 120.400 -0.027 0.000 2.705 310 D HA -0.169 4.478 4.640 0.012 0.000 0.240 310 D C -1.030 175.243 176.300 -0.045 0.000 1.137 310 D CA 0.206 54.185 54.000 -0.035 0.000 0.677 310 D CB -0.790 39.982 40.800 -0.047 0.000 1.049 310 D HN 0.543 nan 8.370 nan 0.000 0.427 311 C N 0.611 119.890 119.300 -0.036 0.000 2.601 311 C HA 0.525 4.992 4.460 0.012 0.000 0.409 311 C C 0.975 175.943 174.990 -0.036 0.000 1.293 311 C CA -0.167 58.821 59.018 -0.050 0.000 2.101 311 C CB 0.984 28.698 27.740 -0.044 0.000 2.639 311 C HN 0.404 nan 8.230 nan 0.000 0.592 312 T N 5.124 119.647 114.554 -0.051 0.000 2.812 312 T HA 0.517 4.874 4.350 0.012 0.000 0.282 312 T C -0.367 174.339 174.700 0.010 0.000 0.990 312 T CA -0.231 61.871 62.100 0.003 0.000 0.960 312 T CB 0.882 69.723 68.868 -0.044 0.000 0.948 312 T HN 0.531 nan 8.240 nan 0.000 0.438 313 M N 3.027 122.679 119.600 0.086 0.000 2.578 313 M HA 0.651 5.138 4.480 0.012 0.000 0.321 313 M C -1.253 175.159 176.300 0.186 0.000 1.182 313 M CA -1.150 54.193 55.300 0.071 0.000 0.965 313 M CB 1.947 34.569 32.600 0.035 0.000 1.694 313 M HN 0.309 nan 8.290 nan 0.000 0.461 314 L N 2.492 123.787 121.223 0.120 0.000 2.406 314 L HA 0.684 5.031 4.340 0.012 0.000 0.272 314 L C -1.483 175.395 176.870 0.013 0.000 0.980 314 L CA -0.506 54.395 54.840 0.102 0.000 0.831 314 L CB 1.901 44.038 42.059 0.130 0.000 1.253 314 L HN 0.491 nan 8.230 nan 0.000 0.406 315 V N 4.174 124.080 119.914 -0.013 0.000 2.531 315 V HA 0.584 4.711 4.120 0.012 0.000 0.301 315 V C -0.784 175.169 176.094 -0.235 0.000 1.034 315 V CA -0.639 61.640 62.300 -0.034 0.000 0.865 315 V CB 1.896 33.792 31.823 0.122 0.000 0.995 315 V HN 0.783 nan 8.190 nan 0.000 0.424 316 N N 3.665 122.175 118.700 -0.316 0.000 2.664 316 N HA 0.620 5.367 4.740 0.012 0.000 0.257 316 N C 0.568 175.980 175.510 -0.164 0.000 1.108 316 N CA 0.588 53.255 53.050 -0.639 0.000 0.822 316 N CB 1.700 39.646 38.487 -0.901 0.000 1.199 316 N HN 1.083 nan 8.380 nan 0.000 0.529 317 G N 2.315 111.162 108.800 0.078 0.000 2.596 317 G HA2 -0.396 3.571 3.960 0.012 0.000 0.304 317 G HA3 -0.396 3.571 3.960 0.012 0.000 0.304 317 G C 0.546 175.308 174.900 -0.230 0.000 1.189 317 G CA 0.708 45.821 45.100 0.022 0.000 0.986 317 G HN 0.589 nan 8.290 nan 0.000 0.548 318 D N 1.518 121.696 120.400 -0.370 0.000 2.355 318 D HA 0.130 4.777 4.640 0.012 0.000 0.218 318 D C 0.461 176.651 176.300 -0.182 0.000 1.004 318 D CA 0.829 54.458 54.000 -0.617 0.000 0.880 318 D CB -0.271 40.134 40.800 -0.660 0.000 0.911 318 D HN 0.474 nan 8.370 nan 0.000 0.528 319 D N 0.134 120.474 120.400 -0.101 0.000 2.312 319 D HA 0.393 5.040 4.640 0.012 0.000 0.252 319 D C -0.843 175.450 176.300 -0.012 0.000 1.150 319 D CA -0.271 53.711 54.000 -0.031 0.000 0.870 319 D CB 1.033 41.803 40.800 -0.050 0.000 1.153 319 D HN 0.035 nan 8.370 nan 0.000 0.457 320 L N 4.214 125.472 121.223 0.058 0.000 2.436 320 L HA 0.682 5.029 4.340 0.012 0.000 0.268 320 L C -1.863 175.020 176.870 0.021 0.000 0.974 320 L CA -0.838 54.044 54.840 0.071 0.000 0.826 320 L CB 1.941 44.113 42.059 0.189 0.000 1.291 320 L HN 0.227 nan 8.230 nan 0.000 0.406 321 V N 5.770 125.647 119.914 -0.061 0.000 2.709 321 V HA 0.826 4.953 4.120 0.012 0.000 0.308 321 V C -1.498 174.426 176.094 -0.284 0.000 1.062 321 V CA -0.339 61.858 62.300 -0.171 0.000 0.901 321 V CB 2.389 34.145 31.823 -0.111 0.000 1.003 321 V HN 0.619 nan 8.190 nan 0.000 0.425 322 V N 7.476 127.028 119.914 -0.604 0.000 2.588 322 V HA 0.602 4.729 4.120 0.012 0.000 0.304 322 V C -0.408 175.398 176.094 -0.480 0.000 1.042 322 V CA -0.466 61.454 62.300 -0.633 0.000 0.877 322 V CB 1.811 32.970 31.823 -1.107 0.000 0.996 322 V HN 0.766 nan 8.190 nan 0.000 0.425 323 I N 4.718 125.146 120.570 -0.238 0.000 2.436 323 I HA 0.682 4.859 4.170 0.012 0.000 0.289 323 I C -0.079 175.954 176.117 -0.139 0.000 1.010 323 I CA -0.312 60.913 61.300 -0.125 0.000 1.098 323 I CB 1.721 39.703 38.000 -0.030 0.000 1.266 323 I HN 0.894 nan 8.210 nan 0.000 0.434 324 C N 2.421 121.641 119.300 -0.134 0.000 3.307 324 C HA 0.588 5.055 4.460 0.012 0.000 0.350 324 C C -0.564 174.343 174.990 -0.139 0.000 1.549 324 C CA -0.894 58.058 59.018 -0.110 0.000 1.396 324 C CB 1.883 29.593 27.740 -0.050 0.000 1.970 324 C HN 0.622 nan 8.230 nan 0.000 0.441 325 E N 1.804 121.944 120.200 -0.101 0.000 2.194 325 E HA 0.291 4.648 4.350 0.012 0.000 0.284 325 E C -0.060 176.509 176.600 -0.052 0.000 1.035 325 E CA 0.439 56.780 56.400 -0.098 0.000 0.836 325 E CB 1.759 31.413 29.700 -0.077 0.000 1.070 325 E HN 0.714 nan 8.360 nan 0.000 0.401 326 S N 1.979 117.657 115.700 -0.037 0.000 2.562 326 S HA 0.191 4.668 4.470 0.012 0.000 0.281 326 S C 0.674 175.285 174.600 0.019 0.000 1.333 326 S CA 0.139 58.363 58.200 0.040 0.000 1.052 326 S CB 0.623 63.900 63.200 0.128 0.000 0.884 326 S HN 0.546 nan 8.310 nan 0.000 0.506 327 A N 3.547 126.387 122.820 0.033 0.000 2.430 327 A HA 0.637 4.964 4.320 0.012 0.000 0.243 327 A C 0.960 178.552 177.584 0.013 0.000 1.254 327 A CA 0.313 52.358 52.037 0.014 0.000 0.914 327 A CB -0.891 18.116 19.000 0.012 0.000 0.998 327 A HN 1.871 nan 8.150 nan 0.000 0.515 328 G N -2.003 106.811 108.800 0.023 0.000 2.539 328 G HA2 -0.002 3.964 3.960 0.012 0.000 0.686 328 G HA3 -0.002 3.964 3.960 0.012 0.000 0.686 328 G C 0.359 175.275 174.900 0.027 0.000 1.258 328 G CA -0.190 44.908 45.100 -0.004 0.000 0.846 328 G HN 0.304 nan 8.290 nan 0.000 0.647 329 T N 0.187 114.729 114.554 -0.021 0.000 2.684 329 T HA -0.180 4.177 4.350 0.012 0.000 0.267 329 T C 2.337 177.072 174.700 0.059 0.000 1.036 329 T CA 2.416 64.530 62.100 0.022 0.000 1.148 329 T CB -0.216 68.622 68.868 -0.050 0.000 0.863 329 T HN 0.582 nan 8.240 nan 0.000 0.436 330 Q N 0.769 120.583 119.800 0.023 0.000 2.046 330 Q HA -0.099 4.248 4.340 0.012 0.000 0.200 330 Q C 2.434 178.447 176.000 0.023 0.000 0.975 330 Q CA 1.274 57.089 55.803 0.021 0.000 0.836 330 Q CB -0.116 28.626 28.738 0.007 0.000 0.896 330 Q HN 0.611 nan 8.270 nan 0.000 0.428 331 E N -0.040 120.173 120.200 0.022 0.000 2.106 331 E HA -0.180 4.177 4.350 0.012 0.000 0.192 331 E C 1.147 177.761 176.600 0.024 0.000 0.984 331 E CA 1.230 57.641 56.400 0.018 0.000 0.806 331 E CB -0.367 29.341 29.700 0.014 0.000 0.750 331 E HN 0.370 nan 8.360 nan 0.000 0.458 332 D N 1.774 122.203 120.400 0.048 0.000 2.117 332 D HA -0.059 4.588 4.640 0.012 0.000 0.197 332 D C 1.987 178.291 176.300 0.007 0.000 0.987 332 D CA 1.943 55.972 54.000 0.048 0.000 0.829 332 D CB -0.336 40.545 40.800 0.135 0.000 0.961 332 D HN 0.294 nan 8.370 nan 0.000 0.460 333 A N 0.966 123.802 122.820 0.028 0.000 1.902 333 A HA -0.053 4.274 4.320 0.012 0.000 0.217 333 A C 2.305 179.880 177.584 -0.016 0.000 1.181 333 A CA 2.276 54.314 52.037 0.002 0.000 0.623 333 A CB -0.746 18.268 19.000 0.024 0.000 0.818 333 A HN 0.236 nan 8.150 nan 0.000 0.443 334 A N -0.206 122.612 122.820 -0.004 0.000 1.902 334 A HA 0.180 4.507 4.320 0.012 0.000 0.217 334 A C 2.499 180.077 177.584 -0.010 0.000 1.181 334 A CA 2.056 54.090 52.037 -0.005 0.000 0.623 334 A CB -0.982 18.019 19.000 0.002 0.000 0.818 334 A HN 1.041 nan 8.150 nan 0.000 0.443 335 A N -0.603 122.209 122.820 -0.013 0.000 1.898 335 A HA -0.007 4.320 4.320 0.012 0.000 0.216 335 A C 2.099 179.664 177.584 -0.032 0.000 1.181 335 A CA 1.684 53.715 52.037 -0.011 0.000 0.620 335 A CB -0.579 18.416 19.000 -0.007 0.000 0.819 335 A HN 0.639 nan 8.150 nan 0.000 0.442 336 L N 0.008 121.162 121.223 -0.115 0.000 2.083 336 L HA -0.109 4.238 4.340 0.012 0.000 0.209 336 L C 2.386 179.220 176.870 -0.060 0.000 1.083 336 L CA 1.806 56.504 54.840 -0.237 0.000 0.752 336 L CB -0.631 41.184 42.059 -0.406 0.000 0.899 336 L HN 0.346 nan 8.230 nan 0.000 0.433 337 R N -0.727 119.755 120.500 -0.031 0.000 2.096 337 R HA -0.072 4.275 4.340 0.012 0.000 0.235 337 R C 2.202 178.513 176.300 0.017 0.000 1.127 337 R CA 1.185 57.288 56.100 0.005 0.000 0.968 337 R CB -0.573 29.725 30.300 -0.004 0.000 0.861 337 R HN 0.504 nan 8.270 nan 0.000 0.440 338 A N 0.736 123.566 122.820 0.016 0.000 1.930 338 A HA -0.177 4.150 4.320 0.012 0.000 0.217 338 A C 1.918 179.511 177.584 0.014 0.000 1.175 338 A CA 0.944 52.986 52.037 0.008 0.000 0.627 338 A CB -0.549 18.458 19.000 0.012 0.000 0.815 338 A HN 0.385 nan 8.150 nan 0.000 0.443 339 F N 1.335 121.222 119.950 -0.104 0.000 2.102 339 F HA -0.150 4.385 4.527 0.013 0.000 0.298 339 F C 2.402 178.122 175.800 -0.133 0.000 1.105 339 F CA 2.302 60.231 58.000 -0.119 0.000 1.239 339 F CB -0.612 38.301 39.000 -0.144 0.000 0.991 339 F HN 0.192 nan 8.300 nan 0.000 0.474 340 T N 0.494 115.081 114.554 0.056 0.000 2.720 340 T HA -0.178 4.179 4.350 0.012 0.000 0.268 340 T C 1.711 176.362 174.700 -0.081 0.000 1.037 340 T CA 1.610 63.734 62.100 0.040 0.000 1.144 340 T CB -0.295 68.701 68.868 0.213 0.000 0.864 340 T HN 0.284 nan 8.240 nan 0.000 0.444 341 E N 1.236 121.384 120.200 -0.086 0.000 2.110 341 E HA -0.026 4.331 4.350 0.012 0.000 0.193 341 E C 2.533 178.998 176.600 -0.226 0.000 0.988 341 E CA 1.087 57.418 56.400 -0.116 0.000 0.804 341 E CB -0.489 29.160 29.700 -0.084 0.000 0.745 341 E HN 0.541 nan 8.360 nan 0.000 0.458 342 A N 1.281 123.911 122.820 -0.316 0.000 1.898 342 A HA -0.133 4.194 4.320 0.012 0.000 0.216 342 A C 2.216 179.391 177.584 -0.681 0.000 1.181 342 A CA 1.290 53.016 52.037 -0.519 0.000 0.620 342 A CB -0.325 18.410 19.000 -0.442 0.000 0.819 342 A HN 0.103 nan 8.150 nan 0.000 0.442 343 M N -0.196 119.080 119.600 -0.540 0.000 2.159 343 M HA -0.113 4.374 4.480 0.012 0.000 0.263 343 M C 2.156 178.375 176.300 -0.134 0.000 1.063 343 M CA 1.977 57.080 55.300 -0.329 0.000 1.110 343 M CB -1.889 30.410 32.600 -0.500 0.000 1.374 343 M HN 0.443 nan 8.290 nan 0.000 0.411 344 T N 0.064 114.539 114.554 -0.132 0.000 2.746 344 T HA -0.115 4.242 4.350 0.012 0.000 0.267 344 T C 1.975 176.618 174.700 -0.095 0.000 1.039 344 T CA 1.128 63.191 62.100 -0.062 0.000 1.142 344 T CB -0.198 68.641 68.868 -0.047 0.000 0.866 344 T HN 0.381 nan 8.240 nan 0.000 0.444 345 R N -0.073 120.303 120.500 -0.206 0.000 2.120 345 R HA -0.019 4.328 4.340 0.012 0.000 0.234 345 R C 1.795 178.036 176.300 -0.097 0.000 1.123 345 R CA 1.168 57.149 56.100 -0.198 0.000 0.975 345 R CB -0.283 29.831 30.300 -0.310 0.000 0.866 345 R HN 0.564 nan 8.270 nan 0.000 0.446 346 Y N 0.014 120.264 120.300 -0.083 0.000 2.529 346 Y HA -0.084 4.472 4.550 0.010 0.000 0.290 346 Y C 1.232 177.090 175.900 -0.070 0.000 1.177 346 Y CA 0.142 58.187 58.100 -0.092 0.000 1.305 346 Y CB 0.364 38.796 38.460 -0.046 0.000 1.047 346 Y HN 0.211 nan 8.280 nan 0.000 0.522 347 S N -1.149 114.599 115.700 0.079 0.000 2.541 347 S HA -0.193 4.284 4.470 0.012 0.000 0.262 347 S C -0.009 174.614 174.600 0.039 0.000 1.321 347 S CA 0.300 58.528 58.200 0.045 0.000 1.243 347 S CB -1.832 61.384 63.200 0.026 0.000 1.531 347 S HN 0.500 nan 8.310 nan 0.000 0.656 348 A N 1.976 124.836 122.820 0.067 0.000 3.158 348 A HA 0.690 5.017 4.320 0.012 0.000 0.319 348 A C -1.933 175.775 177.584 0.206 0.000 1.204 348 A CA -1.209 50.896 52.037 0.114 0.000 0.992 348 A CB 0.405 19.508 19.000 0.172 0.000 1.110 348 A HN 0.521 nan 8.150 nan 0.000 0.519 349 P HA 0.310 nan 4.420 nan 0.000 0.274 349 P C -2.975 174.376 177.300 0.084 0.000 1.237 349 P CA -1.368 61.791 63.100 0.099 0.000 0.793 349 P CB 0.704 32.400 31.700 -0.007 0.000 0.977 350 P HA 0.149 nan 4.420 nan 0.000 0.284 350 P C 0.618 177.847 177.300 -0.118 0.000 1.258 350 P CA -0.045 62.944 63.100 -0.184 0.000 0.824 350 P CB 1.039 32.616 31.700 -0.205 0.000 1.038 351 G N 1.735 110.457 108.800 -0.131 0.000 2.648 351 G HA2 0.001 3.968 3.960 0.012 0.000 0.217 351 G HA3 0.001 3.968 3.960 0.012 0.000 0.217 351 G C -0.223 174.632 174.900 -0.075 0.000 1.386 351 G CA 0.114 45.169 45.100 -0.075 0.000 0.920 351 G HN 0.467 nan 8.290 nan 0.000 0.540 352 D N 2.304 122.659 120.400 -0.075 0.000 2.348 352 D HA 0.342 4.989 4.640 0.012 0.000 0.253 352 D C -2.278 173.978 176.300 -0.073 0.000 1.161 352 D CA -0.974 52.992 54.000 -0.057 0.000 0.876 352 D CB 1.175 41.952 40.800 -0.039 0.000 1.160 352 D HN 0.004 nan 8.370 nan 0.000 0.459 353 P HA 0.134 nan 4.420 nan 0.000 0.268 353 P C -2.298 174.999 177.300 -0.005 0.000 1.204 353 P CA -0.911 62.175 63.100 -0.024 0.000 0.768 353 P CB -0.109 31.587 31.700 -0.006 0.000 0.842 354 P HA 0.194 nan 4.420 nan 0.000 0.272 354 P C -0.819 176.483 177.300 0.004 0.000 1.230 354 P CA -0.044 63.092 63.100 0.059 0.000 0.788 354 P CB 0.610 32.397 31.700 0.145 0.000 0.949 355 Q N 1.416 121.230 119.800 0.023 0.000 2.347 355 Q HA 0.479 4.826 4.340 0.012 0.000 0.271 355 Q C -2.621 173.381 176.000 0.002 0.000 1.064 355 Q CA -2.232 53.572 55.803 0.002 0.000 0.800 355 Q CB 1.584 30.335 28.738 0.021 0.000 1.304 355 Q HN 0.238 nan 8.270 nan 0.000 0.438 356 P HA 0.160 nan 4.420 nan 0.000 0.268 356 P C -0.972 176.217 177.300 -0.185 0.000 1.204 356 P CA -0.162 62.864 63.100 -0.123 0.000 0.768 356 P CB 0.779 32.402 31.700 -0.128 0.000 0.842 357 E N 1.596 121.646 120.200 -0.249 0.000 2.222 357 E HA 0.344 4.701 4.350 0.012 0.000 0.267 357 E C -0.956 175.501 176.600 -0.238 0.000 0.884 357 E CA -0.469 55.839 56.400 -0.152 0.000 0.764 357 E CB 0.809 30.496 29.700 -0.022 0.000 1.169 357 E HN 0.352 nan 8.360 nan 0.000 0.413 358 Y N 0.831 121.272 120.300 0.235 0.000 2.531 358 Y HA 0.293 4.850 4.550 0.012 0.000 0.249 358 Y C -0.020 176.139 175.900 0.431 0.000 1.168 358 Y CA -0.466 57.832 58.100 0.330 0.000 1.226 358 Y CB 1.074 39.634 38.460 0.167 0.000 1.177 358 Y HN 0.304 nan 8.280 nan 0.000 0.527 359 D N 0.345 120.918 120.400 0.289 0.000 2.549 359 D HA 0.106 4.753 4.640 0.012 0.000 0.251 359 D C 0.590 176.654 176.300 -0.393 0.000 1.153 359 D CA -0.377 53.651 54.000 0.047 0.000 0.861 359 D CB 1.736 42.562 40.800 0.043 0.000 1.207 359 D HN 0.085 nan 8.370 nan 0.000 0.543 360 L N 4.247 124.879 121.223 -0.985 0.000 2.127 360 L HA -0.063 4.284 4.340 0.012 0.000 0.211 360 L C 1.750 178.270 176.870 -0.584 0.000 1.089 360 L CA 1.996 56.069 54.840 -1.279 0.000 0.757 360 L CB -0.462 40.636 42.059 -1.602 0.000 0.899 360 L HN 0.663 nan 8.230 nan 0.000 0.434 361 E N -1.342 118.634 120.200 -0.374 0.000 2.268 361 E HA -0.175 4.182 4.350 0.012 0.000 0.195 361 E C 1.607 178.110 176.600 -0.162 0.000 0.995 361 E CA 0.442 56.710 56.400 -0.221 0.000 0.836 361 E CB 0.063 29.681 29.700 -0.137 0.000 0.763 361 E HN 0.385 nan 8.360 nan 0.000 0.491 362 L N 0.793 121.922 121.223 -0.157 0.000 2.591 362 L HA 0.230 4.577 4.340 0.012 0.000 0.228 362 L C 0.280 177.097 176.870 -0.088 0.000 1.133 362 L CA 0.514 55.299 54.840 -0.091 0.000 0.880 362 L CB 0.005 42.035 42.059 -0.048 0.000 1.033 362 L HN 0.118 nan 8.230 nan 0.000 0.450 363 I N -0.335 120.152 120.570 -0.138 0.000 2.325 363 I HA 0.117 4.293 4.170 0.012 0.000 0.291 363 I C 0.203 176.272 176.117 -0.080 0.000 1.019 363 I CA 0.055 61.293 61.300 -0.103 0.000 1.302 363 I CB 0.978 38.892 38.000 -0.143 0.000 1.401 363 I HN -0.077 nan 8.210 nan 0.000 0.485 364 T N 4.861 119.391 114.554 -0.039 0.000 2.767 364 T HA 0.369 4.726 4.350 0.012 0.000 0.284 364 T C -0.306 174.389 174.700 -0.008 0.000 0.973 364 T CA -0.407 61.681 62.100 -0.020 0.000 0.996 364 T CB 1.092 69.956 68.868 -0.006 0.000 0.927 364 T HN 0.572 nan 8.240 nan 0.000 0.456 365 S N 1.381 117.078 115.700 -0.005 0.000 2.548 365 S HA 0.365 4.842 4.470 0.012 0.000 0.276 365 S C 0.195 174.803 174.600 0.014 0.000 1.129 365 S CA -0.553 57.645 58.200 -0.004 0.000 0.931 365 S CB 0.466 63.648 63.200 -0.031 0.000 1.068 365 S HN 0.959 nan 8.310 nan 0.000 0.480 366 C N 3.437 122.747 119.300 0.017 0.000 4.235 366 C HA -0.163 4.304 4.460 0.012 0.000 0.301 366 C C 1.209 176.259 174.990 0.101 0.000 1.409 366 C CA 0.840 59.886 59.018 0.045 0.000 2.024 366 C CB -3.222 24.530 27.740 0.022 0.000 1.286 366 C HN 1.462 nan 8.230 nan 0.000 0.746 367 S N -2.039 113.710 115.700 0.082 0.000 3.270 367 S HA -0.198 4.279 4.470 0.012 0.000 0.293 367 S C 0.257 174.920 174.600 0.106 0.000 1.278 367 S CA 1.312 59.566 58.200 0.089 0.000 1.038 367 S CB -0.976 62.291 63.200 0.112 0.000 1.218 367 S HN 1.065 nan 8.310 nan 0.000 0.659 368 S N 1.860 117.627 115.700 0.112 0.000 2.599 368 S HA 0.740 5.217 4.470 0.012 0.000 0.287 368 S C -0.388 174.244 174.600 0.053 0.000 1.105 368 S CA -0.973 57.311 58.200 0.141 0.000 0.899 368 S CB 1.750 65.106 63.200 0.259 0.000 1.100 368 S HN 0.564 nan 8.310 nan 0.000 0.482 369 N N -0.487 118.231 118.700 0.029 0.000 2.321 369 N HA 0.480 5.227 4.740 0.012 0.000 0.290 369 N C -1.304 174.149 175.510 -0.095 0.000 1.212 369 N CA -0.618 52.403 53.050 -0.049 0.000 0.767 369 N CB 1.125 39.572 38.487 -0.067 0.000 1.494 369 N HN 0.324 nan 8.380 nan 0.000 0.479 370 V N 0.561 120.383 119.914 -0.154 0.000 2.614 370 V HA 0.323 4.450 4.120 0.012 0.000 0.291 370 V C 0.546 176.498 176.094 -0.237 0.000 1.049 370 V CA 0.093 62.275 62.300 -0.197 0.000 1.038 370 V CB 0.827 32.525 31.823 -0.209 0.000 0.980 370 V HN 0.857 nan 8.190 nan 0.000 0.481 371 S N 3.186 118.642 115.700 -0.405 0.000 2.732 371 S HA 0.842 5.319 4.470 0.012 0.000 0.293 371 S C -1.168 173.235 174.600 -0.329 0.000 1.159 371 S CA -0.532 57.439 58.200 -0.382 0.000 0.847 371 S CB 2.103 65.033 63.200 -0.449 0.000 1.169 371 S HN 0.430 nan 8.310 nan 0.000 0.501 372 V N 1.324 121.162 119.914 -0.128 0.000 2.656 372 V HA 0.950 5.077 4.120 0.012 0.000 0.307 372 V C 0.220 176.270 176.094 -0.073 0.000 1.051 372 V CA -0.309 61.888 62.300 -0.171 0.000 0.893 372 V CB 0.973 32.597 31.823 -0.331 0.000 0.999 372 V HN 1.111 nan 8.190 nan 0.000 0.426 373 A N 2.839 125.504 122.820 -0.257 0.000 2.507 373 A HA 0.962 5.289 4.320 0.012 0.000 0.284 373 A C -1.436 175.677 177.584 -0.784 0.000 1.281 373 A CA -0.580 51.156 52.037 -0.501 0.000 0.744 373 A CB 1.609 20.152 19.000 -0.762 0.000 1.332 373 A HN 0.935 nan 8.150 nan 0.000 0.454 374 H N 0.094 118.821 119.070 -0.572 0.000 2.637 374 H HA 0.493 5.056 4.556 0.012 0.000 0.363 374 H C -0.851 174.153 175.328 -0.540 0.000 1.131 374 H CA -0.393 55.337 56.048 -0.531 0.000 1.183 374 H CB 1.343 30.777 29.762 -0.547 0.000 1.637 374 H HN 0.792 nan 8.280 nan 0.000 0.531 375 D N 0.962 121.274 120.400 -0.146 0.000 2.447 375 D HA 0.211 4.858 4.640 0.012 0.000 0.265 375 D C 1.304 177.706 176.300 0.171 0.000 1.250 375 D CA -0.324 53.663 54.000 -0.022 0.000 1.046 375 D CB 0.359 41.148 40.800 -0.020 0.000 1.095 375 D HN 0.515 nan 8.370 nan 0.000 0.555 376 A N -0.254 122.666 122.820 0.167 0.000 1.978 376 A HA -0.147 4.180 4.320 0.012 0.000 0.220 376 A C 1.921 179.581 177.584 0.126 0.000 1.170 376 A CA 2.237 54.367 52.037 0.154 0.000 0.636 376 A CB -1.058 17.988 19.000 0.078 0.000 0.810 376 A HN 0.623 nan 8.150 nan 0.000 0.448 377 S N -2.334 113.424 115.700 0.098 0.000 2.631 377 S HA 0.407 4.884 4.470 0.012 0.000 0.217 377 S C 1.375 176.022 174.600 0.079 0.000 0.958 377 S CA 0.930 59.172 58.200 0.069 0.000 0.920 377 S CB -0.147 63.080 63.200 0.045 0.000 0.776 377 S HN 1.868 nan 8.310 nan 0.000 0.517 378 G N 1.512 110.389 108.800 0.128 0.000 2.199 378 G HA2 -0.326 3.641 3.960 0.012 0.000 0.254 378 G HA3 -0.326 3.641 3.960 0.012 0.000 0.254 378 G C 0.028 174.996 174.900 0.114 0.000 0.982 378 G CA 0.265 45.431 45.100 0.109 0.000 0.632 378 G HN 0.739 nan 8.290 nan 0.000 0.529 379 K N 1.166 121.606 120.400 0.066 0.000 2.401 379 K HA 0.353 4.680 4.320 0.012 0.000 0.278 379 K C 0.777 177.351 176.600 -0.045 0.000 1.018 379 K CA -0.540 55.763 56.287 0.026 0.000 0.981 379 K CB 0.240 32.742 32.500 0.003 0.000 0.933 379 K HN 0.328 nan 8.250 nan 0.000 0.477 380 R N 2.153 122.588 120.500 -0.109 0.000 2.489 380 R HA 0.102 4.449 4.340 0.012 0.000 0.287 380 R C -0.746 175.330 176.300 -0.375 0.000 1.053 380 R CA -0.234 55.636 56.100 -0.382 0.000 1.036 380 R CB 0.733 30.802 30.300 -0.385 0.000 0.966 380 R HN 0.296 nan 8.270 nan 0.000 0.432 381 V N 5.030 124.667 119.914 -0.462 0.000 2.487 381 V HA 0.248 4.375 4.120 0.012 0.000 0.298 381 V C -0.788 175.125 176.094 -0.302 0.000 1.028 381 V CA -0.901 61.223 62.300 -0.293 0.000 0.860 381 V CB 1.223 32.935 31.823 -0.186 0.000 0.991 381 V HN 0.591 nan 8.190 nan 0.000 0.427 382 Y N 5.136 125.425 120.300 -0.017 0.000 2.301 382 Y HA 0.623 5.180 4.550 0.012 0.000 0.325 382 Y C 0.061 176.025 175.900 0.106 0.000 1.203 382 Y CA -0.045 58.050 58.100 -0.009 0.000 1.255 382 Y CB 1.115 39.531 38.460 -0.073 0.000 1.232 382 Y HN 0.747 nan 8.280 nan 0.000 0.501 383 Y N -0.734 119.619 120.300 0.089 0.000 2.656 383 Y HA 0.667 5.224 4.550 0.012 0.000 0.334 383 Y C -2.168 173.785 175.900 0.088 0.000 1.179 383 Y CA -1.979 56.157 58.100 0.061 0.000 1.050 383 Y CB 0.737 39.204 38.460 0.013 0.000 1.308 383 Y HN 0.420 nan 8.280 nan 0.000 0.456 384 L N 2.448 123.755 121.223 0.141 0.000 2.307 384 L HA 0.693 5.040 4.340 0.012 0.000 0.282 384 L C 0.147 177.231 176.870 0.357 0.000 1.051 384 L CA -0.333 54.579 54.840 0.119 0.000 0.804 384 L CB 1.791 43.935 42.059 0.143 0.000 1.197 384 L HN 0.990 nan 8.230 nan 0.000 0.431 385 T N 2.950 117.665 114.554 0.267 0.000 2.804 385 T HA 0.798 5.155 4.350 0.012 0.000 0.290 385 T C -1.287 173.556 174.700 0.238 0.000 1.099 385 T CA -0.648 61.688 62.100 0.394 0.000 1.011 385 T CB 1.747 70.839 68.868 0.374 0.000 1.291 385 T HN 0.790 nan 8.240 nan 0.000 0.523 386 R N 0.556 121.130 120.500 0.124 0.000 2.733 386 R HA 0.477 4.824 4.340 0.012 0.000 0.272 386 R C -1.500 174.651 176.300 -0.248 0.000 1.029 386 R CA -0.997 55.061 56.100 -0.070 0.000 0.888 386 R CB 0.416 30.633 30.300 -0.139 0.000 1.251 386 R HN 0.516 nan 8.270 nan 0.000 0.464 387 D N 1.997 122.252 120.400 -0.242 0.000 2.487 387 D HA 0.030 4.677 4.640 0.012 0.000 0.243 387 D C -1.366 174.590 176.300 -0.574 0.000 1.154 387 D CA -1.134 52.672 54.000 -0.324 0.000 0.876 387 D CB 1.213 41.900 40.800 -0.189 0.000 1.161 387 D HN 0.365 nan 8.370 nan 0.000 0.478 388 P HA 0.019 nan 4.420 nan 0.000 0.249 388 P C 1.106 178.072 177.300 -0.556 0.000 1.229 388 P CA 0.074 62.495 63.100 -1.131 0.000 0.788 388 P CB 0.337 31.236 31.700 -1.335 0.000 1.072 389 T N -0.072 114.278 114.554 -0.341 0.000 2.652 389 T HA -0.125 4.232 4.350 0.012 0.000 0.267 389 T C 1.756 176.382 174.700 -0.123 0.000 1.039 389 T CA 2.360 64.356 62.100 -0.174 0.000 1.153 389 T CB -1.009 67.802 68.868 -0.095 0.000 0.863 389 T HN 0.201 nan 8.240 nan 0.000 0.428 390 T N 2.086 116.572 114.554 -0.114 0.000 2.737 390 T HA -0.033 4.324 4.350 0.012 0.000 0.265 390 T C -0.582 174.066 174.700 -0.086 0.000 1.038 390 T CA 1.024 63.084 62.100 -0.067 0.000 1.144 390 T CB -1.194 67.671 68.868 -0.005 0.000 0.866 390 T HN 0.327 nan 8.240 nan 0.000 0.434 391 P HA -0.015 nan 4.420 nan 0.000 0.216 391 P C 1.472 178.791 177.300 0.032 0.000 1.153 391 P CA 0.957 64.043 63.100 -0.023 0.000 0.858 391 P CB -0.192 31.461 31.700 -0.078 0.000 0.789 392 L N -1.431 119.762 121.223 -0.051 0.000 2.072 392 L HA -0.098 4.249 4.340 0.012 0.000 0.205 392 L C 2.499 179.391 176.870 0.036 0.000 1.079 392 L CA 1.368 56.205 54.840 -0.005 0.000 0.752 392 L CB -1.194 40.822 42.059 -0.072 0.000 0.906 392 L HN -0.063 nan 8.230 nan 0.000 0.436 393 A N 0.403 123.235 122.820 0.019 0.000 1.883 393 A HA -0.215 4.112 4.320 0.012 0.000 0.217 393 A C 2.395 180.042 177.584 0.104 0.000 1.186 393 A CA 1.582 53.653 52.037 0.057 0.000 0.624 393 A CB -0.472 18.538 19.000 0.017 0.000 0.822 393 A HN 0.322 nan 8.150 nan 0.000 0.444 394 R N -0.656 119.878 120.500 0.057 0.000 2.092 394 R HA -0.017 4.330 4.340 0.012 0.000 0.231 394 R C 2.473 178.930 176.300 0.262 0.000 1.119 394 R CA 1.043 57.201 56.100 0.098 0.000 0.970 394 R CB -0.443 29.858 30.300 0.002 0.000 0.864 394 R HN 0.516 nan 8.270 nan 0.000 0.440 395 A N 1.411 124.400 122.820 0.282 0.000 1.902 395 A HA -0.129 4.198 4.320 0.012 0.000 0.217 395 A C 2.375 180.171 177.584 0.353 0.000 1.181 395 A CA 1.733 54.036 52.037 0.444 0.000 0.623 395 A CB -0.600 18.669 19.000 0.448 0.000 0.818 395 A HN 0.389 nan 8.150 nan 0.000 0.443 396 A N -1.439 121.501 122.820 0.199 0.000 1.930 396 A HA -0.160 4.167 4.320 0.012 0.000 0.217 396 A C 2.089 179.796 177.584 0.205 0.000 1.175 396 A CA 1.335 53.452 52.037 0.133 0.000 0.627 396 A CB -0.816 18.242 19.000 0.097 0.000 0.815 396 A HN 0.839 nan 8.150 nan 0.000 0.443 397 W N 1.039 122.393 121.300 0.090 0.000 2.355 397 W HA -0.157 4.510 4.660 0.012 0.000 0.309 397 W C 1.669 178.258 176.519 0.116 0.000 1.206 397 W CA 1.986 59.379 57.345 0.081 0.000 1.284 397 W CB -0.393 29.092 29.460 0.040 0.000 1.145 397 W HN 0.539 nan 8.180 nan 0.000 0.502 398 E N -0.669 119.809 120.200 0.462 0.000 2.268 398 E HA -0.150 4.207 4.350 0.012 0.000 0.195 398 E C 2.003 178.795 176.600 0.320 0.000 0.995 398 E CA 1.714 58.353 56.400 0.399 0.000 0.836 398 E CB -0.152 29.838 29.700 0.485 0.000 0.763 398 E HN 0.117 nan 8.360 nan 0.000 0.491 399 T N 0.238 114.968 114.554 0.294 0.000 2.857 399 T HA -0.065 4.292 4.350 0.012 0.000 0.266 399 T C 1.899 176.649 174.700 0.084 0.000 1.048 399 T CA 1.153 63.374 62.100 0.202 0.000 1.139 399 T CB -0.004 68.974 68.868 0.183 0.000 0.874 399 T HN 0.234 nan 8.240 nan 0.000 0.455 400 A N 1.012 123.835 122.820 0.005 0.000 1.984 400 A HA 0.240 4.567 4.320 0.012 0.000 0.214 400 A C 1.159 178.673 177.584 -0.117 0.000 1.173 400 A CA 0.318 52.300 52.037 -0.091 0.000 0.673 400 A CB 0.174 19.060 19.000 -0.191 0.000 0.830 400 A HN 0.320 nan 8.150 nan 0.000 0.453 401 R N -0.161 120.263 120.500 -0.127 0.000 2.561 401 R HA 0.303 4.650 4.340 0.012 0.000 0.297 401 R C -0.991 175.379 176.300 0.116 0.000 0.969 401 R CA -0.723 55.339 56.100 -0.064 0.000 0.879 401 R CB 1.236 31.391 30.300 -0.241 0.000 1.178 401 R HN 0.464 nan 8.270 nan 0.000 0.445 402 H N 2.333 121.442 119.070 0.065 0.000 2.928 402 H HA 0.056 4.619 4.556 0.011 0.000 0.338 402 H C -0.582 174.815 175.328 0.115 0.000 1.047 402 H CA 0.964 57.067 56.048 0.092 0.000 1.435 402 H CB 0.877 30.669 29.762 0.050 0.000 1.428 402 H HN 0.697 nan 8.280 nan 0.000 0.590 403 T N 2.739 117.205 114.554 -0.146 0.000 2.900 403 T HA 0.248 4.605 4.350 0.012 0.000 0.295 403 T C -1.868 172.767 174.700 -0.109 0.000 1.044 403 T CA -1.641 60.455 62.100 -0.006 0.000 0.995 403 T CB 2.289 71.199 68.868 0.069 0.000 1.072 403 T HN 0.352 nan 8.240 nan 0.000 0.473 404 P HA 0.059 nan 4.420 nan 0.000 0.215 404 P C 0.256 177.507 177.300 -0.081 0.000 1.157 404 P CA 0.756 63.808 63.100 -0.080 0.000 0.868 404 P CB 0.125 31.788 31.700 -0.062 0.000 0.788 405 I N 0.914 121.437 120.570 -0.077 0.000 2.404 405 I HA 0.187 4.364 4.170 0.012 0.000 0.293 405 I C 0.178 176.214 176.117 -0.136 0.000 0.992 405 I CA -1.066 60.174 61.300 -0.099 0.000 1.149 405 I CB 1.119 39.072 38.000 -0.078 0.000 1.315 405 I HN -0.102 nan 8.210 nan 0.000 0.446 406 N N 4.799 123.354 118.700 -0.242 0.000 2.521 406 N HA 0.036 4.783 4.740 0.012 0.000 0.236 406 N C 1.250 176.495 175.510 -0.441 0.000 1.067 406 N CA -0.018 52.790 53.050 -0.403 0.000 0.939 406 N CB 1.194 39.204 38.487 -0.795 0.000 1.201 406 N HN 0.610 nan 8.380 nan 0.000 0.511 407 S N 2.130 117.720 115.700 -0.182 0.000 2.419 407 S HA -0.121 4.356 4.470 0.012 0.000 0.233 407 S C 1.820 176.379 174.600 -0.068 0.000 1.016 407 S CA 0.230 58.375 58.200 -0.092 0.000 0.974 407 S CB -0.393 62.809 63.200 0.002 0.000 0.786 407 S HN 0.798 nan 8.310 nan 0.000 0.492 408 W N 1.114 122.356 121.300 -0.097 0.000 2.363 408 W HA -0.002 4.665 4.660 0.011 0.000 0.296 408 W C 1.673 178.108 176.519 -0.140 0.000 1.212 408 W CA 0.401 57.661 57.345 -0.141 0.000 1.260 408 W CB -0.984 28.186 29.460 -0.483 0.000 1.131 408 W HN 0.357 nan 8.180 nan 0.000 0.530 409 L N 2.816 123.459 121.223 -0.967 0.000 2.072 409 L HA 0.173 4.519 4.340 0.012 0.000 0.205 409 L C 2.685 179.381 176.870 -0.289 0.000 1.079 409 L CA 2.708 57.068 54.840 -0.799 0.000 0.752 409 L CB -1.360 39.967 42.059 -1.221 0.000 0.906 409 L HN 0.044 nan 8.230 nan 0.000 0.436 410 G N -0.616 108.028 108.800 -0.260 0.000 2.440 410 G HA2 -0.305 3.662 3.960 0.012 0.000 0.218 410 G HA3 -0.305 3.662 3.960 0.012 0.000 0.218 410 G C 1.460 176.376 174.900 0.026 0.000 1.154 410 G CA 0.809 45.839 45.100 -0.117 0.000 0.767 410 G HN 0.439 nan 8.290 nan 0.000 0.552 411 N N 0.587 119.360 118.700 0.122 0.000 2.188 411 N HA -0.019 4.728 4.740 0.012 0.000 0.184 411 N C 2.243 177.901 175.510 0.247 0.000 1.018 411 N CA 0.661 53.904 53.050 0.322 0.000 0.858 411 N CB -0.187 38.560 38.487 0.434 0.000 0.989 411 N HN 0.344 nan 8.380 nan 0.000 0.426 412 I N 0.892 121.571 120.570 0.182 0.000 2.226 412 I HA -0.219 3.958 4.170 0.012 0.000 0.245 412 I C 1.990 178.165 176.117 0.097 0.000 1.100 412 I CA 0.875 62.262 61.300 0.145 0.000 1.374 412 I CB -0.136 38.012 38.000 0.247 0.000 1.057 412 I HN 0.041 nan 8.210 nan 0.000 0.413 413 I N -0.108 120.522 120.570 0.100 0.000 2.202 413 I HA -0.287 3.890 4.170 0.012 0.000 0.242 413 I C 2.463 178.691 176.117 0.185 0.000 1.091 413 I CA 1.236 62.620 61.300 0.139 0.000 1.368 413 I CB -0.214 37.850 38.000 0.107 0.000 1.058 413 I HN 0.201 nan 8.210 nan 0.000 0.410 414 M N -0.852 118.783 119.600 0.059 0.000 2.288 414 M HA -0.088 4.399 4.480 0.012 0.000 0.266 414 M C 1.157 177.302 176.300 -0.258 0.000 1.072 414 M CA 1.652 56.897 55.300 -0.092 0.000 1.132 414 M CB -0.708 31.738 32.600 -0.257 0.000 1.386 414 M HN 0.220 nan 8.290 nan 0.000 0.432 415 Y N -0.583 119.720 120.300 0.006 0.000 2.720 415 Y HA 0.424 4.981 4.550 0.011 0.000 0.277 415 Y C 1.855 177.497 175.900 -0.429 0.000 1.144 415 Y CA -0.277 57.708 58.100 -0.191 0.000 1.221 415 Y CB -0.448 37.824 38.460 -0.314 0.000 1.163 415 Y HN 0.170 nan 8.280 nan 0.000 0.537 416 A N 1.004 123.610 122.820 -0.355 0.000 1.986 416 A HA -0.154 4.173 4.320 0.012 0.000 0.220 416 A C -0.586 176.700 177.584 -0.498 0.000 1.171 416 A CA 1.492 53.282 52.037 -0.413 0.000 0.640 416 A CB -1.284 17.488 19.000 -0.380 0.000 0.811 416 A HN 0.270 nan 8.150 nan 0.000 0.451 417 P HA 0.038 nan 4.420 nan 0.000 0.241 417 P C 0.605 177.614 177.300 -0.486 0.000 1.191 417 P CA 1.075 63.871 63.100 -0.506 0.000 0.771 417 P CB -0.324 31.090 31.700 -0.476 0.000 0.929 418 T N -2.525 111.742 114.554 -0.478 0.000 2.899 418 T HA 0.133 4.490 4.350 0.012 0.000 0.295 418 T C 1.132 175.417 174.700 -0.691 0.000 1.033 418 T CA -0.647 61.129 62.100 -0.541 0.000 1.084 418 T CB 0.656 69.028 68.868 -0.828 0.000 0.979 418 T HN -0.178 nan 8.240 nan 0.000 0.532 419 L N 2.277 123.003 121.223 -0.828 0.000 2.012 419 L HA -0.006 4.341 4.340 0.012 0.000 0.210 419 L C 2.379 178.919 176.870 -0.551 0.000 1.073 419 L CA 1.798 56.099 54.840 -0.899 0.000 0.748 419 L CB -0.936 40.504 42.059 -1.032 0.000 0.891 419 L HN 0.928 nan 8.230 nan 0.000 0.431 420 W N -0.838 120.234 121.300 -0.380 0.000 2.418 420 W HA 0.089 4.756 4.660 0.012 0.000 0.292 420 W C 2.004 178.370 176.519 -0.255 0.000 1.213 420 W CA 0.749 57.906 57.345 -0.313 0.000 1.283 420 W CB -1.362 27.952 29.460 -0.244 0.000 1.119 420 W HN 0.315 nan 8.180 nan 0.000 0.542 421 A N 1.928 124.275 122.820 -0.789 0.000 1.930 421 A HA -0.124 4.203 4.320 0.012 0.000 0.217 421 A C 2.249 179.669 177.584 -0.273 0.000 1.175 421 A CA 1.693 53.428 52.037 -0.502 0.000 0.627 421 A CB -0.726 17.857 19.000 -0.694 0.000 0.815 421 A HN 0.311 nan 8.150 nan 0.000 0.443 422 R N -1.089 119.170 120.500 -0.402 0.000 2.062 422 R HA 0.077 4.424 4.340 0.012 0.000 0.229 422 R C 2.175 178.267 176.300 -0.346 0.000 1.128 422 R CA 1.660 57.541 56.100 -0.366 0.000 0.960 422 R CB -0.308 29.645 30.300 -0.578 0.000 0.855 422 R HN 0.498 nan 8.270 nan 0.000 0.432 423 M N -0.395 118.866 119.600 -0.565 0.000 2.394 423 M HA 0.047 4.533 4.480 0.012 0.000 0.266 423 M C 1.808 178.011 176.300 -0.162 0.000 1.098 423 M CA 1.277 56.274 55.300 -0.506 0.000 1.149 423 M CB 0.271 32.482 32.600 -0.648 0.000 1.369 423 M HN 0.112 nan 8.290 nan 0.000 0.450 424 I N -0.794 119.543 120.570 -0.388 0.000 3.196 424 I HA -0.077 4.100 4.170 0.012 0.000 0.248 424 I C 2.027 177.945 176.117 -0.332 0.000 1.105 424 I CA 0.344 61.149 61.300 -0.825 0.000 1.482 424 I CB -0.186 37.262 38.000 -0.921 0.000 1.400 424 I HN 0.114 nan 8.210 nan 0.000 0.464 425 L N 0.348 121.557 121.223 -0.024 0.000 2.027 425 L HA -0.187 4.160 4.340 0.012 0.000 0.206 425 L C 2.690 179.828 176.870 0.447 0.000 1.074 425 L CA 1.612 56.622 54.840 0.283 0.000 0.745 425 L CB -0.419 41.863 42.059 0.371 0.000 0.898 425 L HN 0.274 nan 8.230 nan 0.000 0.433 426 M N -0.863 118.968 119.600 0.385 0.000 2.080 426 M HA -0.194 4.293 4.480 0.012 0.000 0.260 426 M C 2.327 179.104 176.300 0.795 0.000 1.068 426 M CA 2.102 57.744 55.300 0.571 0.000 1.109 426 M CB -0.699 32.044 32.600 0.238 0.000 1.342 426 M HN 0.252 nan 8.290 nan 0.000 0.405 427 T N -1.273 113.716 114.554 0.725 0.000 2.708 427 T HA -0.231 4.126 4.350 0.012 0.000 0.266 427 T C 1.648 176.644 174.700 0.493 0.000 1.037 427 T CA 1.985 64.506 62.100 0.703 0.000 1.146 427 T CB -0.572 68.746 68.868 0.749 0.000 0.865 427 T HN 0.492 nan 8.240 nan 0.000 0.435 428 H N 0.353 119.591 119.070 0.281 0.000 2.321 428 H HA 0.006 4.569 4.556 0.012 0.000 0.300 428 H C 1.797 177.015 175.328 -0.184 0.000 1.087 428 H CA 1.594 57.675 56.048 0.055 0.000 1.319 428 H CB -0.529 29.118 29.762 -0.192 0.000 1.379 428 H HN 0.396 nan 8.280 nan 0.000 0.501 429 F N -1.179 118.716 119.950 -0.091 0.000 2.293 429 F HA -0.001 4.533 4.527 0.011 0.000 0.297 429 F C 1.884 177.557 175.800 -0.211 0.000 1.089 429 F CA 0.467 58.217 58.000 -0.417 0.000 1.377 429 F CB -0.320 38.137 39.000 -0.906 0.000 1.051 429 F HN 0.136 nan 8.300 nan 0.000 0.511 430 F N -0.489 119.572 119.950 0.186 0.000 2.234 430 F HA -0.197 4.337 4.527 0.012 0.000 0.299 430 F C 2.722 178.554 175.800 0.054 0.000 1.087 430 F CA 1.467 59.580 58.000 0.188 0.000 1.340 430 F CB -0.891 38.318 39.000 0.348 0.000 1.031 430 F HN -0.107 nan 8.300 nan 0.000 0.500 431 S N 0.301 116.091 115.700 0.150 0.000 2.356 431 S HA -0.159 4.318 4.470 0.012 0.000 0.223 431 S C 2.183 176.752 174.600 -0.051 0.000 1.032 431 S CA 1.291 59.505 58.200 0.023 0.000 1.005 431 S CB -0.337 62.862 63.200 -0.000 0.000 0.867 431 S HN 0.184 nan 8.310 nan 0.000 0.449 432 I N 1.243 121.717 120.570 -0.160 0.000 2.179 432 I HA -0.098 4.079 4.170 0.012 0.000 0.242 432 I C 2.255 178.330 176.117 -0.069 0.000 1.088 432 I CA 1.018 62.216 61.300 -0.169 0.000 1.357 432 I CB -1.321 36.496 38.000 -0.306 0.000 1.051 432 I HN 0.332 nan 8.210 nan 0.000 0.409 433 L N 0.021 121.213 121.223 -0.053 0.000 2.083 433 L HA -0.181 4.166 4.340 0.012 0.000 0.209 433 L C 2.379 179.259 176.870 0.017 0.000 1.083 433 L CA 1.392 56.223 54.840 -0.016 0.000 0.752 433 L CB -1.241 40.777 42.059 -0.068 0.000 0.899 433 L HN 0.169 nan 8.230 nan 0.000 0.433 434 L N -0.452 120.794 121.223 0.038 0.000 2.027 434 L HA -0.098 4.249 4.340 0.012 0.000 0.206 434 L C 2.508 179.392 176.870 0.025 0.000 1.074 434 L CA 2.055 56.927 54.840 0.054 0.000 0.745 434 L CB -1.110 40.992 42.059 0.072 0.000 0.898 434 L HN 0.230 nan 8.230 nan 0.000 0.433 435 A N -1.512 121.311 122.820 0.005 0.000 1.969 435 A HA -0.199 4.128 4.320 0.012 0.000 0.218 435 A C 2.036 179.621 177.584 0.001 0.000 1.169 435 A CA 1.530 53.565 52.037 -0.004 0.000 0.635 435 A CB -0.386 18.601 19.000 -0.021 0.000 0.810 435 A HN 0.659 nan 8.150 nan 0.000 0.445 436 Q N -1.071 118.732 119.800 0.005 0.000 2.319 436 Q HA 0.131 4.478 4.340 0.012 0.000 0.202 436 Q C -0.772 175.242 176.000 0.024 0.000 0.896 436 Q CA 0.115 55.927 55.803 0.014 0.000 0.942 436 Q CB 0.293 29.042 28.738 0.018 0.000 1.083 436 Q HN 0.698 nan 8.270 nan 0.000 0.510 437 E N 0.650 120.866 120.200 0.027 0.000 2.320 437 E HA -0.246 4.111 4.350 0.012 0.000 0.234 437 E C -0.336 176.289 176.600 0.041 0.000 1.183 437 E CA 0.246 56.667 56.400 0.034 0.000 0.713 437 E CB -1.000 28.718 29.700 0.029 0.000 1.226 437 E HN 0.464 nan 8.360 nan 0.000 0.382 438 Q N -0.263 119.563 119.800 0.043 0.000 2.157 438 Q HA 0.112 4.459 4.340 0.012 0.000 0.229 438 Q C 1.179 177.210 176.000 0.051 0.000 0.827 438 Q CA -0.417 55.418 55.803 0.052 0.000 1.055 438 Q CB 0.488 29.264 28.738 0.063 0.000 1.157 438 Q HN 0.183 nan 8.270 nan 0.000 0.482 439 L N 1.198 122.451 121.223 0.050 0.000 2.127 439 L HA -0.175 4.172 4.340 0.012 0.000 0.211 439 L C 1.817 178.726 176.870 0.064 0.000 1.089 439 L CA 1.927 56.799 54.840 0.053 0.000 0.757 439 L CB -0.232 41.886 42.059 0.098 0.000 0.899 439 L HN 0.294 nan 8.230 nan 0.000 0.434 440 E N -1.130 119.109 120.200 0.065 0.000 2.447 440 E HA -0.056 4.301 4.350 0.012 0.000 0.195 440 E C 0.742 177.380 176.600 0.063 0.000 1.028 440 E CA -0.130 56.309 56.400 0.065 0.000 0.876 440 E CB 0.313 30.049 29.700 0.058 0.000 0.885 440 E HN 0.264 nan 8.360 nan 0.000 0.500 441 K N 1.735 122.173 120.400 0.064 0.000 2.339 441 K HA 0.256 4.583 4.320 0.012 0.000 0.286 441 K C -0.523 176.119 176.600 0.070 0.000 1.050 441 K CA -0.287 56.041 56.287 0.069 0.000 0.956 441 K CB 0.803 33.349 32.500 0.077 0.000 0.990 441 K HN -0.112 nan 8.250 nan 0.000 0.475 442 A N 5.247 128.108 122.820 0.068 0.000 2.440 442 A HA 0.335 4.662 4.320 0.012 0.000 0.251 442 A C -0.540 177.078 177.584 0.056 0.000 1.089 442 A CA -0.272 51.803 52.037 0.062 0.000 0.779 442 A CB 0.097 19.140 19.000 0.071 0.000 1.022 442 A HN 0.757 nan 8.150 nan 0.000 0.492 443 L N 1.900 123.133 121.223 0.017 0.000 2.362 443 L HA 0.374 4.721 4.340 0.012 0.000 0.271 443 L C -0.863 175.973 176.870 -0.057 0.000 1.002 443 L CA -1.085 53.740 54.840 -0.025 0.000 0.818 443 L CB 2.018 44.017 42.059 -0.100 0.000 1.298 443 L HN 0.581 nan 8.230 nan 0.000 0.420 444 D N 1.610 121.984 120.400 -0.044 0.000 2.308 444 D HA 0.405 5.052 4.640 0.012 0.000 0.251 444 D C -0.288 175.928 176.300 -0.140 0.000 1.127 444 D CA 0.031 54.010 54.000 -0.034 0.000 0.876 444 D CB 1.418 42.242 40.800 0.039 0.000 1.176 444 D HN 0.599 nan 8.370 nan 0.000 0.446 445 C N 0.744 119.964 119.300 -0.134 0.000 3.318 445 C HA 0.711 5.178 4.460 0.012 0.000 0.329 445 C C -0.864 174.063 174.990 -0.105 0.000 1.449 445 C CA -0.830 58.079 59.018 -0.181 0.000 1.397 445 C CB 1.420 28.993 27.740 -0.279 0.000 1.810 445 C HN 0.510 nan 8.230 nan 0.000 0.449 446 Q N 0.129 119.867 119.800 -0.104 0.000 2.375 446 Q HA 0.780 5.127 4.340 0.012 0.000 0.271 446 Q C -1.505 174.448 176.000 -0.078 0.000 1.074 446 Q CA -0.429 55.345 55.803 -0.048 0.000 0.808 446 Q CB 2.499 31.220 28.738 -0.028 0.000 1.327 446 Q HN 0.715 nan 8.270 nan 0.000 0.441 447 I N 2.026 122.561 120.570 -0.057 0.000 2.512 447 I HA 0.207 4.384 4.170 0.012 0.000 0.287 447 I C -0.689 175.458 176.117 0.051 0.000 1.069 447 I CA -0.573 60.621 61.300 -0.177 0.000 1.056 447 I CB 1.219 38.835 38.000 -0.639 0.000 1.229 447 I HN 0.803 nan 8.210 nan 0.000 0.429 448 Y N 5.177 125.527 120.300 0.083 0.000 3.396 448 Y HA -0.333 4.225 4.550 0.012 0.000 0.214 448 Y C 1.617 177.500 175.900 -0.028 0.000 1.203 448 Y CA 0.312 58.458 58.100 0.077 0.000 1.401 448 Y CB -1.124 37.403 38.460 0.111 0.000 1.409 448 Y HN 1.055 nan 8.280 nan 0.000 0.594 449 G N -1.458 107.431 108.800 0.148 0.000 2.267 449 G HA2 -0.217 3.750 3.960 0.012 0.000 0.257 449 G HA3 -0.217 3.750 3.960 0.012 0.000 0.257 449 G C 0.221 175.133 174.900 0.020 0.000 0.998 449 G CA 0.045 45.184 45.100 0.065 0.000 0.620 449 G HN 1.361 nan 8.290 nan 0.000 0.529 450 A N -0.455 122.371 122.820 0.009 0.000 2.327 450 A HA 0.621 4.948 4.320 0.012 0.000 0.283 450 A C 0.755 178.167 177.584 -0.286 0.000 1.127 450 A CA 0.456 52.335 52.037 -0.264 0.000 0.810 450 A CB 0.845 19.515 19.000 -0.549 0.000 1.066 450 A HN 1.556 nan 8.150 nan 0.000 0.492 451 C N 2.778 121.837 119.300 -0.402 0.000 2.435 451 C HA 0.714 5.181 4.460 0.012 0.000 0.375 451 C C -0.911 173.694 174.990 -0.641 0.000 1.281 451 C CA -0.372 58.477 59.018 -0.281 0.000 1.963 451 C CB -1.533 26.192 27.740 -0.025 0.000 2.490 451 C HN 0.637 nan 8.230 nan 0.000 0.557 452 Y N 2.854 122.940 120.300 -0.356 0.000 2.485 452 Y HA 0.467 5.024 4.550 0.011 0.000 0.345 452 Y C 0.403 176.166 175.900 -0.230 0.000 0.998 452 Y CA -0.402 57.445 58.100 -0.420 0.000 1.059 452 Y CB 1.807 39.946 38.460 -0.534 0.000 1.234 452 Y HN 0.591 nan 8.280 nan 0.000 0.461 453 S N 3.991 119.677 115.700 -0.023 0.000 2.422 453 S HA 0.664 5.141 4.470 0.012 0.000 0.308 453 S C -1.105 173.533 174.600 0.064 0.000 1.097 453 S CA -0.483 57.752 58.200 0.059 0.000 1.099 453 S CB -0.308 62.971 63.200 0.131 0.000 0.976 453 S HN 0.452 nan 8.310 nan 0.000 0.471 454 I N 4.037 124.627 120.570 0.034 0.000 2.545 454 I HA 0.386 4.563 4.170 0.012 0.000 0.292 454 I C 0.032 176.174 176.117 0.042 0.000 1.040 454 I CA -0.633 60.697 61.300 0.050 0.000 1.068 454 I CB 1.987 39.990 38.000 0.006 0.000 1.251 454 I HN 0.667 nan 8.210 nan 0.000 0.424 455 E N 6.975 127.217 120.200 0.071 0.000 2.200 455 E HA 0.216 4.573 4.350 0.012 0.000 0.283 455 E C -1.656 174.996 176.600 0.087 0.000 1.015 455 E CA -1.491 54.952 56.400 0.071 0.000 0.819 455 E CB 1.383 31.130 29.700 0.077 0.000 1.081 455 E HN 0.296 nan 8.360 nan 0.000 0.397 456 P HA -0.191 nan 4.420 nan 0.000 0.217 456 P C 0.983 178.410 177.300 0.213 0.000 1.148 456 P CA 1.152 64.308 63.100 0.094 0.000 0.828 456 P CB 0.209 31.881 31.700 -0.047 0.000 0.783 457 L N -0.928 120.404 121.223 0.182 0.000 2.353 457 L HA -0.126 4.221 4.340 0.012 0.000 0.220 457 L C 1.339 178.308 176.870 0.165 0.000 1.133 457 L CA 1.132 56.100 54.840 0.214 0.000 0.798 457 L CB -0.681 41.470 42.059 0.153 0.000 0.922 457 L HN -0.040 nan 8.230 nan 0.000 0.445 458 D N -0.641 119.842 120.400 0.139 0.000 2.340 458 D HA -0.026 4.620 4.640 0.012 0.000 0.220 458 D C 2.052 178.422 176.300 0.117 0.000 1.039 458 D CA 0.152 54.212 54.000 0.099 0.000 0.866 458 D CB 0.410 41.259 40.800 0.082 0.000 0.913 458 D HN 0.100 nan 8.370 nan 0.000 0.523 459 L N 1.263 122.598 121.223 0.187 0.000 2.013 459 L HA -0.122 4.224 4.340 0.012 0.000 0.212 459 L C -0.570 176.410 176.870 0.184 0.000 1.073 459 L CA 2.013 56.983 54.840 0.217 0.000 0.753 459 L CB -1.866 40.395 42.059 0.337 0.000 0.890 459 L HN 0.045 nan 8.230 nan 0.000 0.432 460 P HA -0.186 nan 4.420 nan 0.000 0.215 460 P C 1.613 178.954 177.300 0.069 0.000 1.157 460 P CA 1.275 64.395 63.100 0.035 0.000 0.868 460 P CB 0.039 31.586 31.700 -0.256 0.000 0.788 461 Q N -0.705 119.085 119.800 -0.018 0.000 2.061 461 Q HA -0.131 4.216 4.340 0.012 0.000 0.204 461 Q C 2.205 178.205 176.000 0.000 0.000 0.984 461 Q CA 1.394 57.180 55.803 -0.029 0.000 0.846 461 Q CB -1.054 27.652 28.738 -0.054 0.000 0.902 461 Q HN 0.259 nan 8.270 nan 0.000 0.421 462 I N -0.031 120.549 120.570 0.017 0.000 2.179 462 I HA -0.276 3.901 4.170 0.012 0.000 0.242 462 I C 2.044 178.192 176.117 0.052 0.000 1.088 462 I CA 1.204 62.494 61.300 -0.017 0.000 1.357 462 I CB -0.270 37.767 38.000 0.062 0.000 1.051 462 I HN 0.197 nan 8.210 nan 0.000 0.409 463 I N 0.330 120.996 120.570 0.158 0.000 2.252 463 I HA -0.271 3.906 4.170 0.012 0.000 0.245 463 I C 2.646 178.815 176.117 0.087 0.000 1.102 463 I CA 1.302 62.714 61.300 0.186 0.000 1.385 463 I CB -0.390 37.722 38.000 0.187 0.000 1.064 463 I HN 0.296 nan 8.210 nan 0.000 0.414 464 E N 1.119 121.411 120.200 0.153 0.000 2.058 464 E HA -0.252 4.105 4.350 0.012 0.000 0.194 464 E C 2.398 179.011 176.600 0.021 0.000 0.997 464 E CA 1.133 57.602 56.400 0.113 0.000 0.801 464 E CB 0.102 29.935 29.700 0.222 0.000 0.746 464 E HN 0.252 nan 8.360 nan 0.000 0.450 465 R N 0.267 120.761 120.500 -0.011 0.000 2.081 465 R HA -0.091 4.256 4.340 0.012 0.000 0.235 465 R C 2.487 178.731 176.300 -0.092 0.000 1.131 465 R CA 0.890 56.951 56.100 -0.065 0.000 0.960 465 R CB -0.596 29.631 30.300 -0.123 0.000 0.856 465 R HN 0.359 nan 8.270 nan 0.000 0.436 466 L N -0.889 120.266 121.223 -0.113 0.000 2.068 466 L HA -0.098 4.249 4.340 0.012 0.000 0.204 466 L C 2.005 178.656 176.870 -0.365 0.000 1.076 466 L CA 1.182 55.871 54.840 -0.251 0.000 0.753 466 L CB -0.437 41.431 42.059 -0.317 0.000 0.910 466 L HN 0.278 nan 8.230 nan 0.000 0.439 467 H N -0.911 118.092 119.070 -0.111 0.000 2.885 467 H HA 0.280 4.843 4.556 0.011 0.000 0.260 467 H C 0.932 176.176 175.328 -0.139 0.000 0.985 467 H CA 0.779 56.745 56.048 -0.138 0.000 1.210 467 H CB 1.115 30.762 29.762 -0.191 0.000 1.466 467 H HN 0.330 nan 8.280 nan 0.000 0.493 468 G N 1.043 109.829 108.800 -0.023 0.000 2.712 468 G HA2 -0.238 3.729 3.960 0.012 0.000 0.683 468 G HA3 -0.238 3.729 3.960 0.012 0.000 0.683 468 G C 0.293 175.147 174.900 -0.076 0.000 1.320 468 G CA -0.229 44.855 45.100 -0.027 0.000 0.847 468 G HN 0.128 nan 8.290 nan 0.000 0.553 469 L N 1.516 122.755 121.223 0.026 0.000 2.191 469 L HA 0.020 4.367 4.340 0.012 0.000 0.212 469 L C 3.238 180.123 176.870 0.025 0.000 1.103 469 L CA 2.991 57.910 54.840 0.132 0.000 0.769 469 L CB -0.841 41.336 42.059 0.197 0.000 0.908 469 L HN 1.264 nan 8.230 nan 0.000 0.438 470 S N -1.050 114.625 115.700 -0.040 0.000 2.419 470 S HA -0.192 4.285 4.470 0.012 0.000 0.235 470 S C 2.142 176.641 174.600 -0.168 0.000 1.019 470 S CA 0.848 59.007 58.200 -0.068 0.000 0.982 470 S CB -0.672 62.485 63.200 -0.072 0.000 0.789 470 S HN 0.373 nan 8.310 nan 0.000 0.490 471 A N 0.763 123.385 122.820 -0.329 0.000 2.076 471 A HA 0.118 4.445 4.320 0.012 0.000 0.220 471 A C 1.636 178.971 177.584 -0.414 0.000 1.160 471 A CA 1.125 52.871 52.037 -0.484 0.000 0.653 471 A CB -0.919 17.673 19.000 -0.681 0.000 0.801 471 A HN 0.699 nan 8.150 nan 0.000 0.455 472 F N -0.756 119.204 119.950 0.017 0.000 2.727 472 F HA 0.102 4.636 4.527 0.012 0.000 0.302 472 F C 2.011 177.848 175.800 0.061 0.000 1.097 472 F CA 0.746 58.779 58.000 0.055 0.000 1.330 472 F CB 0.437 39.498 39.000 0.101 0.000 1.084 472 F HN 0.280 nan 8.300 nan 0.000 0.578 473 T N -2.968 111.677 114.554 0.153 0.000 3.058 473 T HA 0.303 4.660 4.350 0.012 0.000 0.278 473 T C 0.377 175.146 174.700 0.114 0.000 0.974 473 T CA -0.124 62.061 62.100 0.143 0.000 0.893 473 T CB -0.401 68.540 68.868 0.122 0.000 1.138 473 T HN -0.046 nan 8.240 nan 0.000 0.529 474 L N 3.434 124.643 121.223 -0.023 0.000 2.514 474 L HA 0.373 4.720 4.340 0.012 0.000 0.280 474 L C 0.663 177.451 176.870 -0.137 0.000 1.223 474 L CA 0.164 54.874 54.840 -0.217 0.000 0.864 474 L CB -0.004 41.779 42.059 -0.459 0.000 1.118 474 L HN 0.660 nan 8.230 nan 0.000 0.494 475 H N -1.489 117.397 119.070 -0.307 0.000 2.933 475 H HA 0.391 4.954 4.556 0.012 0.000 0.310 475 H C -0.219 174.987 175.328 -0.202 0.000 1.351 475 H CA -0.822 55.120 56.048 -0.177 0.000 1.137 475 H CB 1.018 30.773 29.762 -0.011 0.000 1.853 475 H HN 0.369 nan 8.280 nan 0.000 0.539 476 S N -0.583 115.161 115.700 0.074 0.000 3.608 476 S HA -0.234 4.243 4.470 0.012 0.000 0.382 476 S C -0.649 173.965 174.600 0.023 0.000 0.945 476 S CA 0.460 58.706 58.200 0.076 0.000 1.256 476 S CB -2.437 60.779 63.200 0.026 0.000 0.913 476 S HN 0.511 nan 8.310 nan 0.000 0.518 477 Y N 1.891 122.227 120.300 0.060 0.000 2.426 477 Y HA 0.261 4.818 4.550 0.012 0.000 0.344 477 Y C 1.431 177.379 175.900 0.079 0.000 1.256 477 Y CA 0.458 58.595 58.100 0.062 0.000 1.451 477 Y CB 0.398 38.887 38.460 0.047 0.000 1.342 477 Y HN 0.522 nan 8.280 nan 0.000 0.600 478 S N 1.781 117.626 115.700 0.242 0.000 2.572 478 S HA 0.096 4.573 4.470 0.012 0.000 0.279 478 S C -2.006 172.674 174.600 0.133 0.000 1.341 478 S CA -1.110 57.179 58.200 0.148 0.000 1.043 478 S CB 1.140 64.401 63.200 0.102 0.000 0.887 478 S HN 0.447 nan 8.310 nan 0.000 0.516 479 P HA 0.008 nan 4.420 nan 0.000 0.216 479 P C 1.681 179.018 177.300 0.062 0.000 1.150 479 P CA 1.563 64.708 63.100 0.075 0.000 0.837 479 P CB -0.402 31.333 31.700 0.058 0.000 0.786 480 G N -0.124 108.710 108.800 0.056 0.000 2.408 480 G HA2 -0.255 3.712 3.960 0.012 0.000 0.217 480 G HA3 -0.255 3.712 3.960 0.012 0.000 0.217 480 G C 1.654 176.579 174.900 0.042 0.000 1.150 480 G CA 0.752 45.875 45.100 0.039 0.000 0.776 480 G HN 0.266 nan 8.290 nan 0.000 0.542 481 E N 0.655 120.897 120.200 0.071 0.000 2.047 481 E HA -0.027 4.329 4.350 0.012 0.000 0.191 481 E C 2.400 179.036 176.600 0.060 0.000 0.987 481 E CA 0.689 57.140 56.400 0.086 0.000 0.799 481 E CB -0.379 29.422 29.700 0.169 0.000 0.752 481 E HN 0.472 nan 8.360 nan 0.000 0.449 482 I N 0.952 121.562 120.570 0.067 0.000 2.208 482 I HA -0.298 3.879 4.170 0.012 0.000 0.245 482 I C 1.936 178.067 176.117 0.023 0.000 1.097 482 I CA 1.150 62.472 61.300 0.036 0.000 1.363 482 I CB -0.404 37.632 38.000 0.060 0.000 1.051 482 I HN 0.170 nan 8.210 nan 0.000 0.413 483 N N 0.600 119.317 118.700 0.028 0.000 2.188 483 N HA -0.180 4.567 4.740 0.012 0.000 0.184 483 N C 1.896 177.407 175.510 0.002 0.000 1.018 483 N CA 1.030 54.090 53.050 0.017 0.000 0.858 483 N CB -0.394 38.105 38.487 0.021 0.000 0.989 483 N HN 0.349 nan 8.380 nan 0.000 0.426 484 R N 0.919 121.416 120.500 -0.004 0.000 2.081 484 R HA -0.040 4.307 4.340 0.012 0.000 0.235 484 R C 1.859 178.127 176.300 -0.055 0.000 1.131 484 R CA 1.003 57.085 56.100 -0.030 0.000 0.960 484 R CB -0.141 30.137 30.300 -0.036 0.000 0.856 484 R HN -0.050 nan 8.270 nan 0.000 0.436 485 V N 1.025 120.912 119.914 -0.046 0.000 2.270 485 V HA -0.205 3.922 4.120 0.012 0.000 0.245 485 V C 2.497 178.567 176.094 -0.039 0.000 1.043 485 V CA 1.928 64.190 62.300 -0.065 0.000 1.014 485 V CB -0.800 31.007 31.823 -0.027 0.000 0.645 485 V HN 0.571 nan 8.190 nan 0.000 0.447 486 A N -0.649 122.164 122.820 -0.012 0.000 1.908 486 A HA -0.273 4.054 4.320 0.012 0.000 0.218 486 A C 2.564 180.151 177.584 0.005 0.000 1.181 486 A CA 2.439 54.480 52.037 0.007 0.000 0.627 486 A CB -0.835 18.176 19.000 0.018 0.000 0.818 486 A HN 0.493 nan 8.150 nan 0.000 0.445 487 S N -1.351 114.346 115.700 -0.005 0.000 2.368 487 S HA -0.175 4.302 4.470 0.012 0.000 0.224 487 S C 1.979 176.573 174.600 -0.009 0.000 1.029 487 S CA 1.497 59.696 58.200 -0.003 0.000 0.988 487 S CB -0.775 62.420 63.200 -0.007 0.000 0.838 487 S HN 0.667 nan 8.310 nan 0.000 0.462 488 C N 1.401 120.679 119.300 -0.036 0.000 2.429 488 C HA 0.051 4.518 4.460 0.012 0.000 0.277 488 C C 2.512 177.487 174.990 -0.026 0.000 1.262 488 C CA 0.582 59.570 59.018 -0.050 0.000 1.733 488 C CB -1.578 26.093 27.740 -0.115 0.000 2.010 488 C HN 0.588 nan 8.230 nan 0.000 0.483 489 L N 0.239 121.452 121.223 -0.016 0.000 2.046 489 L HA -0.160 4.187 4.340 0.012 0.000 0.208 489 L C 2.867 179.744 176.870 0.012 0.000 1.077 489 L CA 1.550 56.396 54.840 0.011 0.000 0.747 489 L CB -0.814 41.275 42.059 0.050 0.000 0.896 489 L HN 0.360 nan 8.230 nan 0.000 0.432 490 R N 0.393 120.907 120.500 0.023 0.000 2.081 490 R HA -0.194 4.153 4.340 0.012 0.000 0.235 490 R C 2.366 178.714 176.300 0.079 0.000 1.131 490 R CA 1.458 57.583 56.100 0.041 0.000 0.960 490 R CB -0.278 30.049 30.300 0.044 0.000 0.856 490 R HN 0.312 nan 8.270 nan 0.000 0.436 491 K N 1.121 121.564 120.400 0.071 0.000 2.063 491 K HA -0.127 4.200 4.320 0.012 0.000 0.208 491 K C 1.761 178.477 176.600 0.194 0.000 1.048 491 K CA 1.298 57.651 56.287 0.110 0.000 0.928 491 K CB 0.002 32.537 32.500 0.058 0.000 0.713 491 K HN 0.150 nan 8.250 nan 0.000 0.442 492 L N -0.180 121.094 121.223 0.085 0.000 2.558 492 L HA 0.157 4.504 4.340 0.012 0.000 0.225 492 L C 0.862 177.608 176.870 -0.207 0.000 1.128 492 L CA 0.379 55.253 54.840 0.056 0.000 0.868 492 L CB 0.193 42.262 42.059 0.017 0.000 1.006 492 L HN 0.590 nan 8.230 nan 0.000 0.454 493 G N 0.987 109.527 108.800 -0.434 0.000 2.246 493 G HA2 -0.233 3.734 3.960 0.012 0.000 0.273 493 G HA3 -0.233 3.734 3.960 0.012 0.000 0.273 493 G C 0.028 174.773 174.900 -0.258 0.000 1.055 493 G CA 0.080 44.747 45.100 -0.721 0.000 0.851 493 G HN 0.110 nan 8.290 nan 0.000 0.500 494 V N 0.802 120.666 119.914 -0.084 0.000 2.546 494 V HA 0.408 4.535 4.120 0.012 0.000 0.284 494 V C -1.213 174.951 176.094 0.117 0.000 1.050 494 V CA -1.524 60.819 62.300 0.072 0.000 0.981 494 V CB 1.535 33.431 31.823 0.123 0.000 0.990 494 V HN 0.164 nan 8.190 nan 0.000 0.474 495 P HA 0.139 nan 4.420 nan 0.000 0.267 495 P C -2.473 174.921 177.300 0.157 0.000 1.200 495 P CA -0.795 62.309 63.100 0.007 0.000 0.772 495 P CB -0.137 31.375 31.700 -0.314 0.000 0.855 496 P HA 0.066 nan 4.420 nan 0.000 0.272 496 P C 0.872 178.301 177.300 0.216 0.000 1.240 496 P CA -0.010 63.166 63.100 0.126 0.000 0.791 496 P CB 0.725 32.456 31.700 0.052 0.000 0.978 497 L N 0.728 122.084 121.223 0.223 0.000 2.127 497 L HA -0.218 4.129 4.340 0.012 0.000 0.211 497 L C 2.873 179.834 176.870 0.153 0.000 1.089 497 L CA 1.799 56.792 54.840 0.255 0.000 0.757 497 L CB -0.895 41.231 42.059 0.112 0.000 0.899 497 L HN 0.473 nan 8.230 nan 0.000 0.434 498 R N -0.510 120.008 120.500 0.030 0.000 2.105 498 R HA -0.154 4.192 4.340 0.012 0.000 0.239 498 R C 1.952 178.038 176.300 -0.355 0.000 1.135 498 R CA 1.925 57.948 56.100 -0.129 0.000 0.967 498 R CB -1.283 28.961 30.300 -0.093 0.000 0.861 498 R HN 0.136 nan 8.270 nan 0.000 0.442 499 T N 0.406 114.835 114.554 -0.210 0.000 2.777 499 T HA -0.089 4.267 4.350 0.012 0.000 0.266 499 T C 1.279 175.830 174.700 -0.248 0.000 1.040 499 T CA 1.501 63.442 62.100 -0.266 0.000 1.141 499 T CB -0.256 68.420 68.868 -0.321 0.000 0.868 499 T HN 0.432 nan 8.240 nan 0.000 0.444 500 W N 1.668 122.982 121.300 0.025 0.000 2.342 500 W HA -0.025 4.642 4.660 0.012 0.000 0.297 500 W C 2.701 179.365 176.519 0.243 0.000 1.213 500 W CA 0.686 58.113 57.345 0.136 0.000 1.251 500 W CB -0.234 29.310 29.460 0.139 0.000 1.136 500 W HN 0.120 nan 8.180 nan 0.000 0.526 501 R N -0.097 120.629 120.500 0.378 0.000 2.081 501 R HA -0.180 4.167 4.340 0.012 0.000 0.235 501 R C 1.818 178.219 176.300 0.168 0.000 1.131 501 R CA 2.136 58.454 56.100 0.363 0.000 0.960 501 R CB -0.701 29.754 30.300 0.257 0.000 0.856 501 R HN 0.346 nan 8.270 nan 0.000 0.436 502 H N -0.719 118.415 119.070 0.107 0.000 2.353 502 H HA -0.055 4.508 4.556 0.012 0.000 0.300 502 H C 2.338 177.660 175.328 -0.010 0.000 1.090 502 H CA 1.514 57.572 56.048 0.017 0.000 1.327 502 H CB 0.053 29.806 29.762 -0.015 0.000 1.383 502 H HN 0.200 nan 8.280 nan 0.000 0.508 503 R N 0.551 121.124 120.500 0.122 0.000 2.096 503 R HA -0.077 4.270 4.340 0.012 0.000 0.235 503 R C 2.604 178.925 176.300 0.036 0.000 1.127 503 R CA 0.908 57.044 56.100 0.062 0.000 0.968 503 R CB -0.179 30.151 30.300 0.052 0.000 0.861 503 R HN 0.279 nan 8.270 nan 0.000 0.440 504 A N 1.246 124.120 122.820 0.090 0.000 1.930 504 A HA -0.149 4.178 4.320 0.012 0.000 0.217 504 A C 2.048 179.441 177.584 -0.317 0.000 1.175 504 A CA 1.076 53.036 52.037 -0.129 0.000 0.627 504 A CB -0.295 18.706 19.000 0.001 0.000 0.815 504 A HN 0.213 nan 8.150 nan 0.000 0.443 505 R N -0.657 119.735 120.500 -0.179 0.000 2.096 505 R HA -0.095 4.252 4.340 0.012 0.000 0.235 505 R C 2.576 178.781 176.300 -0.160 0.000 1.127 505 R CA 1.420 57.417 56.100 -0.171 0.000 0.968 505 R CB -0.363 29.891 30.300 -0.077 0.000 0.861 505 R HN 0.542 nan 8.270 nan 0.000 0.440 506 S N 0.175 115.800 115.700 -0.125 0.000 2.357 506 S HA -0.079 4.398 4.470 0.012 0.000 0.221 506 S C 2.031 176.541 174.600 -0.149 0.000 1.031 506 S CA 1.038 59.172 58.200 -0.110 0.000 0.982 506 S CB -0.078 63.079 63.200 -0.071 0.000 0.853 506 S HN 0.102 nan 8.310 nan 0.000 0.458 507 V N 2.659 122.445 119.914 -0.213 0.000 2.332 507 V HA -0.167 3.960 4.120 0.012 0.000 0.248 507 V C 2.703 178.592 176.094 -0.342 0.000 1.055 507 V CA 2.291 64.427 62.300 -0.273 0.000 1.038 507 V CB -0.832 30.753 31.823 -0.398 0.000 0.651 507 V HN 0.501 nan 8.190 nan 0.000 0.450 508 R N 0.281 120.498 120.500 -0.472 0.000 2.083 508 R HA -0.189 4.158 4.340 0.012 0.000 0.237 508 R C 2.283 178.485 176.300 -0.163 0.000 1.137 508 R CA 1.829 57.725 56.100 -0.340 0.000 0.951 508 R CB -0.466 29.653 30.300 -0.302 0.000 0.851 508 R HN 0.481 nan 8.270 nan 0.000 0.434 509 A N 1.133 123.869 122.820 -0.141 0.000 1.933 509 A HA -0.154 4.173 4.320 0.012 0.000 0.218 509 A C 1.977 179.523 177.584 -0.062 0.000 1.175 509 A CA 1.568 53.553 52.037 -0.087 0.000 0.628 509 A CB -0.292 18.662 19.000 -0.078 0.000 0.814 509 A HN 0.369 nan 8.150 nan 0.000 0.444 510 K N -0.432 119.928 120.400 -0.067 0.000 2.148 510 K HA 0.011 4.337 4.320 0.012 0.000 0.204 510 K C 1.780 178.375 176.600 -0.008 0.000 1.050 510 K CA 1.162 57.428 56.287 -0.034 0.000 0.942 510 K CB -0.318 32.163 32.500 -0.030 0.000 0.724 510 K HN 0.460 nan 8.250 nan 0.000 0.446 511 L N 0.770 121.986 121.223 -0.012 0.000 2.056 511 L HA -0.155 4.192 4.340 0.012 0.000 0.207 511 L C 2.257 179.143 176.870 0.026 0.000 1.078 511 L CA 0.954 55.814 54.840 0.033 0.000 0.749 511 L CB -0.388 41.699 42.059 0.048 0.000 0.901 511 L HN 0.152 nan 8.230 nan 0.000 0.433 512 L N -0.973 120.250 121.223 -0.001 0.000 2.042 512 L HA -0.214 4.133 4.340 0.012 0.000 0.210 512 L C 2.697 179.569 176.870 0.003 0.000 1.076 512 L CA 1.076 55.916 54.840 -0.000 0.000 0.749 512 L CB -0.615 41.432 42.059 -0.020 0.000 0.893 512 L HN 0.189 nan 8.230 nan 0.000 0.432 513 S N -0.583 115.116 115.700 -0.002 0.000 2.420 513 S HA -0.249 4.228 4.470 0.012 0.000 0.237 513 S C 1.826 176.432 174.600 0.011 0.000 1.023 513 S CA 1.325 59.525 58.200 0.000 0.000 0.991 513 S CB -0.215 62.983 63.200 -0.004 0.000 0.792 513 S HN 0.511 nan 8.310 nan 0.000 0.488 514 Q N 0.013 119.826 119.800 0.022 0.000 2.408 514 Q HA 0.268 4.615 4.340 0.012 0.000 0.205 514 Q C 1.327 177.346 176.000 0.032 0.000 0.919 514 Q CA 0.237 56.058 55.803 0.031 0.000 0.932 514 Q CB 0.141 28.906 28.738 0.046 0.000 1.058 514 Q HN 0.535 nan 8.270 nan 0.000 0.517 515 G N 0.621 109.438 108.800 0.029 0.000 2.682 515 G HA2 -0.193 3.774 3.960 0.012 0.000 0.256 515 G HA3 -0.193 3.774 3.960 0.012 0.000 0.256 515 G C 0.484 175.408 174.900 0.039 0.000 1.333 515 G CA -0.158 44.960 45.100 0.029 0.000 0.904 515 G HN 0.724 nan 8.290 nan 0.000 0.569 516 G N -1.149 107.672 108.800 0.035 0.000 2.574 516 G HA2 -0.246 3.721 3.960 0.012 0.000 0.282 516 G HA3 -0.246 3.721 3.960 0.012 0.000 0.282 516 G C 1.130 176.058 174.900 0.046 0.000 1.257 516 G CA 1.331 46.453 45.100 0.038 0.000 0.956 516 G HN 1.419 nan 8.290 nan 0.000 0.560 517 R N 0.210 120.741 120.500 0.052 0.000 2.120 517 R HA 0.054 4.401 4.340 0.012 0.000 0.234 517 R C 3.191 179.548 176.300 0.094 0.000 1.123 517 R CA 1.848 57.985 56.100 0.062 0.000 0.975 517 R CB -0.545 29.796 30.300 0.068 0.000 0.866 517 R HN 0.670 nan 8.270 nan 0.000 0.446 518 A N 1.299 124.183 122.820 0.107 0.000 1.902 518 A HA -0.099 4.228 4.320 0.012 0.000 0.217 518 A C 2.381 180.030 177.584 0.107 0.000 1.181 518 A CA 1.609 53.731 52.037 0.142 0.000 0.623 518 A CB -0.581 18.498 19.000 0.131 0.000 0.818 518 A HN 0.375 nan 8.150 nan 0.000 0.443 519 A N -0.909 121.955 122.820 0.074 0.000 1.933 519 A HA -0.101 4.226 4.320 0.012 0.000 0.218 519 A C 2.286 179.911 177.584 0.069 0.000 1.175 519 A CA 2.332 54.402 52.037 0.056 0.000 0.628 519 A CB -1.289 17.735 19.000 0.041 0.000 0.814 519 A HN 0.440 nan 8.150 nan 0.000 0.444 520 T N -0.692 113.907 114.554 0.076 0.000 2.746 520 T HA -0.200 4.157 4.350 0.012 0.000 0.267 520 T C 1.911 176.667 174.700 0.092 0.000 1.039 520 T CA 1.560 63.719 62.100 0.098 0.000 1.142 520 T CB -0.736 68.137 68.868 0.007 0.000 0.866 520 T HN 0.590 nan 8.240 nan 0.000 0.444 521 C N 1.390 120.724 119.300 0.057 0.000 2.413 521 C HA -0.023 4.444 4.460 0.012 0.000 0.276 521 C C 3.111 178.111 174.990 0.015 0.000 1.236 521 C CA 0.616 59.633 59.018 -0.003 0.000 1.735 521 C CB -1.577 26.187 27.740 0.039 0.000 2.031 521 C HN 0.739 nan 8.230 nan 0.000 0.474 522 G N 0.111 108.960 108.800 0.081 0.000 2.446 522 G HA2 -0.222 3.745 3.960 0.012 0.000 0.217 522 G HA3 -0.222 3.745 3.960 0.012 0.000 0.217 522 G C 1.778 176.713 174.900 0.058 0.000 1.168 522 G CA 0.669 45.837 45.100 0.114 0.000 0.771 522 G HN 0.612 nan 8.290 nan 0.000 0.551 523 R N -1.076 119.431 120.500 0.012 0.000 2.075 523 R HA -0.017 4.330 4.340 0.012 0.000 0.232 523 R C 2.376 178.532 176.300 -0.240 0.000 1.126 523 R CA 1.397 57.435 56.100 -0.103 0.000 0.963 523 R CB -0.389 29.846 30.300 -0.108 0.000 0.858 523 R HN 0.482 nan 8.270 nan 0.000 0.435 524 Y N 0.452 120.578 120.300 -0.290 0.000 2.262 524 Y HA 0.040 4.597 4.550 0.012 0.000 0.295 524 Y C 2.198 177.827 175.900 -0.451 0.000 1.121 524 Y CA 0.679 58.434 58.100 -0.576 0.000 1.144 524 Y CB -0.241 37.598 38.460 -1.036 0.000 1.043 524 Y HN -0.108 nan 8.280 nan 0.000 0.528 525 L N -1.665 119.418 121.223 -0.233 0.000 2.201 525 L HA -0.126 4.221 4.340 0.012 0.000 0.212 525 L C 0.652 177.204 176.870 -0.530 0.000 1.105 525 L CA 1.362 55.990 54.840 -0.352 0.000 0.775 525 L CB -0.342 41.303 42.059 -0.690 0.000 0.913 525 L HN 0.184 nan 8.230 nan 0.000 0.440 526 F N -1.600 118.286 119.950 -0.106 0.000 2.735 526 F HA 0.182 4.716 4.527 0.012 0.000 0.304 526 F C 1.518 177.025 175.800 -0.488 0.000 1.119 526 F CA -0.361 57.388 58.000 -0.419 0.000 1.280 526 F CB -0.328 38.425 39.000 -0.411 0.000 0.994 526 F HN -0.084 nan 8.300 nan 0.000 0.520 527 N N 1.109 119.733 118.700 -0.127 0.000 2.289 527 N HA -0.185 4.562 4.740 0.012 0.000 0.184 527 N C 2.009 177.496 175.510 -0.039 0.000 1.016 527 N CA 1.521 54.515 53.050 -0.093 0.000 0.872 527 N CB -0.156 38.292 38.487 -0.064 0.000 0.973 527 N HN 0.534 nan 8.380 nan 0.000 0.433 528 W N -0.433 120.912 121.300 0.075 0.000 2.421 528 W HA 0.079 4.746 4.660 0.012 0.000 0.270 528 W C 1.180 177.760 176.519 0.102 0.000 1.233 528 W CA 0.715 58.113 57.345 0.088 0.000 1.226 528 W CB -0.792 28.728 29.460 0.100 0.000 1.121 528 W HN 0.046 nan 8.180 nan 0.000 0.579 529 A N 1.355 123.783 122.820 -0.653 0.000 2.208 529 A HA 0.255 4.582 4.320 0.012 0.000 0.209 529 A C 0.863 178.321 177.584 -0.209 0.000 1.161 529 A CA 1.006 52.668 52.037 -0.626 0.000 0.782 529 A CB -0.731 17.648 19.000 -1.034 0.000 0.816 529 A HN 0.167 nan 8.150 nan 0.000 0.477 530 V N -3.900 115.931 119.914 -0.139 0.000 2.769 530 V HA 0.576 4.703 4.120 0.012 0.000 0.312 530 V C 0.839 176.918 176.094 -0.025 0.000 1.061 530 V CA -0.739 61.518 62.300 -0.072 0.000 0.931 530 V CB 1.630 33.399 31.823 -0.090 0.000 1.010 530 V HN 0.330 nan 8.190 nan 0.000 0.433 531 R N 1.581 122.072 120.500 -0.014 0.000 2.066 531 R HA 0.079 4.426 4.340 0.012 0.000 0.224 531 R C 0.833 177.120 176.300 -0.022 0.000 1.122 531 R CA 1.217 57.313 56.100 -0.007 0.000 0.974 531 R CB -0.098 30.202 30.300 0.000 0.000 0.871 531 R HN 0.845 nan 8.270 nan 0.000 0.435 532 T N 2.910 117.448 114.554 -0.027 0.000 3.182 532 T HA 0.127 4.483 4.350 0.012 0.000 0.274 532 T C -0.571 174.104 174.700 -0.042 0.000 0.997 532 T CA 0.200 62.281 62.100 -0.032 0.000 1.082 532 T CB 0.262 69.111 68.868 -0.031 0.000 1.005 532 T HN 0.142 nan 8.240 nan 0.000 0.688 533 K N 2.408 122.782 120.400 -0.043 0.000 2.218 533 K HA 0.336 4.663 4.320 0.012 0.000 0.276 533 K C 0.070 176.630 176.600 -0.067 0.000 1.022 533 K CA -0.724 55.531 56.287 -0.054 0.000 0.946 533 K CB 1.091 33.566 32.500 -0.041 0.000 1.000 533 K HN 0.374 nan 8.250 nan 0.000 0.468 534 L N 3.052 124.219 121.223 -0.093 0.000 2.416 534 L HA 0.018 4.365 4.340 0.012 0.000 0.272 534 L C 0.447 177.242 176.870 -0.123 0.000 1.161 534 L CA 0.198 54.970 54.840 -0.114 0.000 0.845 534 L CB 0.427 42.392 42.059 -0.156 0.000 1.119 534 L HN 0.303 nan 8.230 nan 0.000 0.464 535 K N 5.242 125.584 120.400 -0.097 0.000 2.412 535 K HA 0.233 4.560 4.320 0.012 0.000 0.284 535 K C -0.777 175.747 176.600 -0.127 0.000 1.046 535 K CA 0.163 56.402 56.287 -0.081 0.000 0.999 535 K CB 0.333 32.806 32.500 -0.045 0.000 0.941 535 K HN 0.482 nan 8.250 nan 0.000 0.474 536 L N 4.115 125.262 121.223 -0.126 0.000 2.265 536 L HA 0.239 4.586 4.340 0.012 0.000 0.289 536 L C 0.847 177.728 176.870 0.018 0.000 1.033 536 L CA -0.632 54.095 54.840 -0.188 0.000 0.814 536 L CB 1.138 43.057 42.059 -0.233 0.000 1.203 536 L HN 0.631 nan 8.230 nan 0.000 0.423 537 T N 0.629 115.239 114.554 0.093 0.000 2.944 537 T HA 0.565 4.922 4.350 0.012 0.000 0.284 537 T C -2.567 172.271 174.700 0.229 0.000 1.010 537 T CA -2.335 59.849 62.100 0.140 0.000 1.025 537 T CB 1.482 70.408 68.868 0.098 0.000 1.079 537 T HN 0.175 nan 8.240 nan 0.000 0.516 538 P HA 0.185 nan 4.420 nan 0.000 0.265 538 P C -0.510 176.833 177.300 0.071 0.000 1.187 538 P CA -0.054 63.117 63.100 0.117 0.000 0.766 538 P CB 0.146 31.888 31.700 0.070 0.000 0.820 539 I N 5.725 126.286 120.570 -0.015 0.000 2.371 539 I HA 0.109 4.286 4.170 0.012 0.000 0.290 539 I C -1.197 174.884 176.117 -0.059 0.000 1.028 539 I CA -1.960 59.272 61.300 -0.113 0.000 1.345 539 I CB 1.118 38.941 38.000 -0.296 0.000 1.407 539 I HN 0.311 nan 8.210 nan 0.000 0.501 540 P HA -0.270 nan 4.420 nan 0.000 0.214 540 P C 1.447 178.726 177.300 -0.035 0.000 1.169 540 P CA 1.575 64.660 63.100 -0.025 0.000 0.908 540 P CB 0.199 31.889 31.700 -0.017 0.000 0.791 541 A N -0.620 122.172 122.820 -0.047 0.000 2.070 541 A HA -0.103 4.224 4.320 0.012 0.000 0.220 541 A C 2.255 179.806 177.584 -0.055 0.000 1.159 541 A CA 1.917 53.926 52.037 -0.046 0.000 0.656 541 A CB -1.497 17.477 19.000 -0.045 0.000 0.800 541 A HN 0.213 nan 8.150 nan 0.000 0.453 542 A N 0.641 123.424 122.820 -0.061 0.000 1.859 542 A HA -0.113 4.214 4.320 0.012 0.000 0.217 542 A C 2.045 179.593 177.584 -0.060 0.000 1.198 542 A CA 1.968 53.969 52.037 -0.061 0.000 0.629 542 A CB -1.172 17.802 19.000 -0.043 0.000 0.830 542 A HN 1.123 nan 8.150 nan 0.000 0.446 543 S N -1.008 114.667 115.700 -0.042 0.000 3.227 543 S HA 0.341 4.818 4.470 0.012 0.000 0.249 543 S C 0.434 175.009 174.600 -0.041 0.000 1.322 543 S CA 0.448 58.625 58.200 -0.039 0.000 1.253 543 S CB -0.040 63.147 63.200 -0.022 0.000 1.076 543 S HN 0.654 nan 8.310 nan 0.000 0.471 544 Q N -0.273 119.495 119.800 -0.053 0.000 2.010 544 Q HA 0.295 4.642 4.340 0.012 0.000 0.215 544 Q C 0.284 176.248 176.000 -0.061 0.000 0.697 544 Q CA -0.177 55.597 55.803 -0.047 0.000 0.855 544 Q CB 0.338 29.054 28.738 -0.036 0.000 1.235 544 Q HN 0.786 nan 8.270 nan 0.000 0.442 545 L N 0.240 121.413 121.223 -0.084 0.000 2.436 545 L HA 0.520 4.867 4.340 0.012 0.000 0.265 545 L C -0.174 176.613 176.870 -0.138 0.000 1.168 545 L CA -0.511 54.267 54.840 -0.103 0.000 0.815 545 L CB 0.660 42.645 42.059 -0.123 0.000 1.109 545 L HN -0.125 nan 8.230 nan 0.000 0.462 546 D N 2.898 123.226 120.400 -0.121 0.000 2.483 546 D HA 0.207 4.854 4.640 0.012 0.000 0.220 546 D C 0.076 176.247 176.300 -0.215 0.000 1.173 546 D CA -0.145 53.784 54.000 -0.118 0.000 0.964 546 D CB 0.622 41.393 40.800 -0.049 0.000 1.046 546 D HN 0.475 nan 8.370 nan 0.000 0.517 547 L N 2.653 123.680 121.223 -0.327 0.000 2.791 547 L HA 0.098 4.445 4.340 0.012 0.000 0.239 547 L C 2.114 178.828 176.870 -0.260 0.000 1.203 547 L CA 0.197 54.672 54.840 -0.608 0.000 1.002 547 L CB -0.540 41.093 42.059 -0.710 0.000 1.295 547 L HN 0.333 nan 8.230 nan 0.000 0.504 548 S N -1.719 113.924 115.700 -0.095 0.000 2.382 548 S HA -0.067 4.410 4.470 0.012 0.000 0.228 548 S C 1.735 176.373 174.600 0.063 0.000 1.027 548 S CA 1.063 59.258 58.200 -0.008 0.000 0.991 548 S CB -0.406 62.789 63.200 -0.008 0.000 0.823 548 S HN 0.392 nan 8.310 nan 0.000 0.469 549 G N -1.224 107.646 108.800 0.118 0.000 3.126 549 G HA2 0.227 4.194 3.960 0.012 0.000 0.224 549 G HA3 0.227 4.194 3.960 0.012 0.000 0.224 549 G C 0.621 175.689 174.900 0.281 0.000 1.142 549 G CA -0.340 44.846 45.100 0.143 0.000 0.759 549 G HN 0.445 nan 8.290 nan 0.000 0.550 550 W N 0.770 121.974 121.300 -0.161 0.000 2.388 550 W HA 0.249 4.916 4.660 0.012 0.000 0.294 550 W C 0.500 176.601 176.519 -0.696 0.000 1.212 550 W CA 0.375 57.394 57.345 -0.544 0.000 1.271 550 W CB -0.286 28.516 29.460 -1.097 0.000 1.126 550 W HN 0.123 nan 8.180 nan 0.000 0.535 551 F N -0.802 119.341 119.950 0.322 0.000 2.523 551 F HA 0.285 4.819 4.527 0.011 0.000 0.322 551 F C 0.554 176.495 175.800 0.235 0.000 1.361 551 F CA -0.372 57.799 58.000 0.285 0.000 1.151 551 F CB 0.017 39.133 39.000 0.194 0.000 1.391 551 F HN -0.412 nan 8.300 nan 0.000 0.566 552 V N 0.145 120.274 119.914 0.358 0.000 2.911 552 V HA 0.546 4.673 4.120 0.012 0.000 0.237 552 V C 0.886 177.137 176.094 0.263 0.000 1.156 552 V CA 0.589 63.045 62.300 0.259 0.000 1.180 552 V CB 0.558 32.512 31.823 0.218 0.000 0.932 552 V HN 0.436 nan 8.190 nan 0.000 0.483 553 A N -0.641 122.303 122.820 0.206 0.000 2.609 553 A HA 0.769 5.095 4.320 0.012 0.000 0.291 553 A C -0.266 177.003 177.584 -0.525 0.000 1.096 553 A CA 0.089 52.093 52.037 -0.055 0.000 0.684 553 A CB 1.077 19.881 19.000 -0.327 0.000 1.282 553 A HN 0.383 nan 8.150 nan 0.000 0.412 554 G N -1.181 107.010 108.800 -1.014 0.000 2.377 554 G HA2 0.529 4.496 3.960 0.012 0.000 0.299 554 G HA3 0.529 4.496 3.960 0.012 0.000 0.299 554 G C -0.739 173.494 174.900 -1.111 0.000 1.150 554 G CA -0.049 44.058 45.100 -1.655 0.000 0.847 554 G HN 0.622 nan 8.290 nan 0.000 0.501 555 Y N 0.312 120.390 120.300 -0.370 0.000 2.738 555 Y HA 0.286 4.842 4.550 0.011 0.000 0.249 555 Y C 1.232 177.049 175.900 -0.138 0.000 1.157 555 Y CA -0.688 57.298 58.100 -0.190 0.000 1.189 555 Y CB 0.690 39.062 38.460 -0.147 0.000 1.262 555 Y HN 0.431 nan 8.280 nan 0.000 0.554 556 K N 1.125 121.490 120.400 -0.059 0.000 2.491 556 K HA 0.186 4.513 4.320 0.012 0.000 0.279 556 K C 1.266 177.884 176.600 0.029 0.000 1.026 556 K CA 1.558 57.846 56.287 0.000 0.000 1.070 556 K CB 0.022 32.525 32.500 0.005 0.000 0.887 556 K HN 0.611 nan 8.250 nan 0.000 0.481 557 G N 2.782 111.607 108.800 0.042 0.000 2.225 557 G HA2 -0.269 3.698 3.960 0.012 0.000 0.254 557 G HA3 -0.269 3.698 3.960 0.012 0.000 0.254 557 G C 0.710 175.649 174.900 0.066 0.000 0.988 557 G CA 0.297 45.432 45.100 0.059 0.000 0.625 557 G HN 0.823 nan 8.290 nan 0.000 0.527 558 G N 0.015 108.858 108.800 0.072 0.000 2.985 558 G HA2 0.376 4.343 3.960 0.012 0.000 0.209 558 G HA3 0.376 4.343 3.960 0.012 0.000 0.209 558 G C 0.509 175.443 174.900 0.056 0.000 1.165 558 G CA 1.211 46.370 45.100 0.097 0.000 0.776 558 G HN 1.355 nan 8.290 nan 0.000 0.541 559 D N -0.590 119.814 120.400 0.006 0.000 2.699 559 D HA -0.163 4.483 4.640 0.012 0.000 0.239 559 D C -0.214 176.046 176.300 -0.066 0.000 1.136 559 D CA 0.299 54.280 54.000 -0.032 0.000 0.668 559 D CB -1.254 39.539 40.800 -0.010 0.000 1.060 559 D HN 0.096 nan 8.370 nan 0.000 0.429 560 I N 1.472 121.964 120.570 -0.130 0.000 2.404 560 I HA 0.381 4.558 4.170 0.012 0.000 0.293 560 I C -0.094 175.825 176.117 -0.330 0.000 0.992 560 I CA -0.803 60.330 61.300 -0.279 0.000 1.149 560 I CB 1.219 38.905 38.000 -0.524 0.000 1.315 560 I HN 0.139 nan 8.210 nan 0.000 0.446 561 Y N 5.772 125.807 120.300 -0.441 0.000 2.361 561 Y HA 0.443 5.000 4.550 0.011 0.000 0.337 561 Y C -0.815 174.856 175.900 -0.382 0.000 0.965 561 Y CA -0.543 57.304 58.100 -0.423 0.000 1.091 561 Y CB 1.239 39.542 38.460 -0.262 0.000 1.182 561 Y HN 0.544 nan 8.280 nan 0.000 0.450 562 H N 3.919 122.337 119.070 -1.087 0.000 2.638 562 H HA 0.306 4.869 4.556 0.012 0.000 0.317 562 H C -0.113 174.713 175.328 -0.836 0.000 1.006 562 H CA -0.756 54.778 56.048 -0.857 0.000 1.222 562 H CB 1.628 30.835 29.762 -0.925 0.000 1.419 562 H HN 0.698 nan 8.280 nan 0.000 0.489 563 S N 0.000 115.486 115.700 -0.357 0.000 2.498 563 S HA 0.000 4.477 4.470 0.012 0.000 0.327 563 S CA 0.000 58.082 58.200 -0.197 0.000 1.107 563 S CB 0.000 63.201 63.200 0.002 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517