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 1dyu_1_A DATA FIRST_RESID 7 DATA SEQUENCE MVPMDKTLKE FGADVQWDDY AQLFTLIKDG AYVKVKPGAQ TAIVNGQPLA DATA SEQUENCE LQVPVVMKDN KAWVSDTFIN DVFQSGLDQT FQVEKRPHPL NALTADEIKQ DATA SEQUENCE AVEIVKASAD FKPNTRFTEI SLLPPDKEAV WAFALENKPV DQPRKADVIM DATA SEQUENCE LDGKHIIEAV VDLQNNKLLS WQPIKDAHGM VLLDDFASVQ NIINNSEEFA DATA SEQUENCE AAVKKRGITD AKKVITTPLT VGYFDGKDGL KQDARLLKVI SYLDVGDGNY DATA SEQUENCE WAHPIENLVA VVDLEQKKIV KIEEGPVVPV PMTARPFDGR DRVAPAVKPM DATA SEQUENCE QIIEPEGKNY TITGDMIHWR NWDFHLSMNS RVGPMISTVT YNDNGTKRKV DATA SEQUENCE MYEGSLGGMI VPYGDPDIGW YFKAYLDSGD YGMGTLTSPI ARGKDAPSNA DATA SEQUENCE VLLNETIADY TGVPMEIPRA IAVFERYAGP EYKHQEMGQP NVSTERRELV DATA SEQUENCE VRWISTVGNX DYIFDWIFHE NGTIGIDAGA TGIEAVKGVK AKTMHDETAK DATA SEQUENCE DDTRYGTLID HNIVGTTHQH IYNFRLDLDV DGENNSLVAM DPVVKPNTAG DATA SEQUENCE GPRTSTMQVN QYNIGNEQDA AQKFDPGTIR LLSNPNKENR MGNPVSYQII DATA SEQUENCE PYAGGTHPVA KGAQFAPDEW IYHRLSFMDK QLWVTRYHPG ERFPEGKYPN DATA SEQUENCE RSTHDTGLGQ YSKDNESLDN TDAVVWMTTG TTHVARAEEW PIMPTEWVHT DATA SEQUENCE LLKPWNFFDE TPTLGALK 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 7 M HA 0.000 nan 4.480 nan 0.000 0.227 7 M C 0.000 176.496 176.300 0.327 0.000 1.140 7 M CA 0.000 55.428 55.300 0.213 0.000 0.988 7 M CB 0.000 32.785 32.600 0.309 0.000 1.302 8 V N 1.260 121.391 119.914 0.361 0.000 3.120 8 V HA 0.648 4.768 4.120 -0.000 0.000 0.303 8 V C -2.518 173.379 176.094 -0.329 0.000 1.238 8 V CA -1.526 60.841 62.300 0.112 0.000 1.008 8 V CB 3.339 35.171 31.823 0.015 0.000 1.064 8 V HN 0.658 nan 8.190 nan 0.000 0.434 9 P HA 0.201 nan 4.420 nan 0.000 0.271 9 P C 0.581 177.505 177.300 -0.627 0.000 1.233 9 P CA 0.183 62.571 63.100 -1.188 0.000 0.764 9 P CB 0.571 31.691 31.700 -0.967 0.000 0.825 10 M N 3.014 122.249 119.600 -0.609 0.000 2.059 10 M HA -0.201 4.279 4.480 -0.000 0.000 0.259 10 M C 1.267 177.376 176.300 -0.319 0.000 1.072 10 M CA 1.940 56.969 55.300 -0.451 0.000 1.117 10 M CB -0.396 31.866 32.600 -0.564 0.000 1.320 10 M HN 0.313 nan 8.290 nan 0.000 0.408 11 D N 0.222 120.440 120.400 -0.304 0.000 2.123 11 D HA -0.217 4.423 4.640 -0.000 0.000 0.196 11 D C 1.895 178.110 176.300 -0.141 0.000 0.992 11 D CA 1.415 55.309 54.000 -0.177 0.000 0.833 11 D CB -0.170 40.550 40.800 -0.133 0.000 0.954 11 D HN 0.416 nan 8.370 nan 0.000 0.455 12 K N 0.165 120.453 120.400 -0.187 0.000 2.002 12 K HA -0.123 4.197 4.320 -0.000 0.000 0.209 12 K C 2.091 178.630 176.600 -0.102 0.000 1.048 12 K CA 1.546 57.749 56.287 -0.141 0.000 0.930 12 K CB -0.031 32.363 32.500 -0.176 0.000 0.714 12 K HN -0.025 nan 8.250 nan 0.000 0.438 13 T N 2.347 116.823 114.554 -0.130 0.000 2.652 13 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 13 T C 1.743 176.432 174.700 -0.017 0.000 1.039 13 T CA 1.178 63.230 62.100 -0.080 0.000 1.153 13 T CB -0.149 68.650 68.868 -0.114 0.000 0.863 13 T HN 0.084 nan 8.240 nan 0.000 0.428 14 L N 1.010 122.222 121.223 -0.020 0.000 1.989 14 L HA -0.081 4.259 4.340 -0.000 0.000 0.211 14 L C 2.427 179.338 176.870 0.069 0.000 1.071 14 L CA 1.935 56.811 54.840 0.060 0.000 0.749 14 L CB -1.012 41.076 42.059 0.048 0.000 0.890 14 L HN 0.336 nan 8.230 nan 0.000 0.431 15 K N -0.229 120.177 120.400 0.010 0.000 2.209 15 K HA -0.179 4.141 4.320 -0.000 0.000 0.204 15 K C 1.903 178.502 176.600 -0.002 0.000 1.048 15 K CA 1.118 57.404 56.287 -0.002 0.000 0.940 15 K CB -0.012 32.478 32.500 -0.016 0.000 0.729 15 K HN 0.426 nan 8.250 nan 0.000 0.451 16 E N -0.053 120.154 120.200 0.012 0.000 2.152 16 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 16 E C 1.564 178.194 176.600 0.050 0.000 0.983 16 E CA 0.677 57.086 56.400 0.016 0.000 0.818 16 E CB -0.074 29.633 29.700 0.012 0.000 0.758 16 E HN 0.221 nan 8.360 nan 0.000 0.467 17 F N 0.583 120.470 119.950 -0.104 0.000 2.604 17 F HA 0.081 4.607 4.527 -0.000 0.000 0.298 17 F C 1.418 177.128 175.800 -0.150 0.000 1.131 17 F CA 1.326 59.240 58.000 -0.143 0.000 1.457 17 F CB 0.158 39.032 39.000 -0.211 0.000 1.095 17 F HN 0.068 nan 8.300 nan 0.000 0.574 18 G N 0.279 108.955 108.800 -0.208 0.000 2.141 18 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.231 18 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.231 18 G C 0.300 175.044 174.900 -0.261 0.000 0.984 18 G CA 0.070 45.011 45.100 -0.265 0.000 0.660 18 G HN 0.843 nan 8.290 nan 0.000 0.525 19 A N -0.409 122.305 122.820 -0.177 0.000 2.279 19 A HA 0.684 5.004 4.320 -0.000 0.000 0.303 19 A C -0.027 177.562 177.584 0.009 0.000 1.108 19 A CA 0.335 52.328 52.037 -0.074 0.000 0.830 19 A CB 0.828 19.848 19.000 0.033 0.000 1.106 19 A HN 0.517 nan 8.150 nan 0.000 0.493 20 D N 0.337 120.762 120.400 0.041 0.000 2.198 20 D HA 0.459 5.099 4.640 -0.000 0.000 0.245 20 D C -0.916 175.439 176.300 0.091 0.000 1.079 20 D CA 0.062 54.094 54.000 0.053 0.000 0.854 20 D CB 1.156 41.982 40.800 0.043 0.000 1.148 20 D HN 0.177 nan 8.370 nan 0.000 0.456 21 V N 4.549 124.524 119.914 0.102 0.000 2.384 21 V HA 0.365 4.485 4.120 -0.000 0.000 0.287 21 V C -0.234 175.982 176.094 0.203 0.000 1.020 21 V CA -0.678 61.719 62.300 0.161 0.000 0.850 21 V CB 1.246 33.152 31.823 0.137 0.000 0.987 21 V HN 0.550 nan 8.190 nan 0.000 0.436 22 Q N 4.266 124.214 119.800 0.247 0.000 2.353 22 Q HA 0.430 4.770 4.340 -0.000 0.000 0.268 22 Q C -1.228 174.961 176.000 0.315 0.000 1.045 22 Q CA -0.414 55.523 55.803 0.223 0.000 0.811 22 Q CB 3.023 31.831 28.738 0.117 0.000 1.305 22 Q HN 0.858 nan 8.270 nan 0.000 0.447 23 W N 3.849 125.158 121.300 0.015 0.000 2.529 23 W HA 0.346 5.006 4.660 0.000 0.000 0.321 23 W C -1.441 174.998 176.519 -0.134 0.000 1.047 23 W CA -0.530 56.692 57.345 -0.205 0.000 1.216 23 W CB 1.542 30.843 29.460 -0.266 0.000 1.357 23 W HN 0.628 nan 8.180 nan 0.000 0.489 24 D N 4.450 124.299 120.400 -0.918 0.000 2.461 24 D HA 0.049 4.689 4.640 -0.000 0.000 0.240 24 D C 0.446 176.027 176.300 -1.199 0.000 1.094 24 D CA -0.077 53.500 54.000 -0.706 0.000 0.868 24 D CB 1.278 41.832 40.800 -0.409 0.000 1.062 24 D HN 0.504 nan 8.370 nan 0.000 0.530 25 D N 2.382 122.249 120.400 -0.889 0.000 2.178 25 D HA -0.237 4.403 4.640 -0.000 0.000 0.202 25 D C 1.504 177.640 176.300 -0.272 0.000 0.974 25 D CA 1.019 54.701 54.000 -0.530 0.000 0.841 25 D CB -0.021 40.774 40.800 -0.009 0.000 0.953 25 D HN 0.502 nan 8.370 nan 0.000 0.478 26 Y N 0.585 120.711 120.300 -0.289 0.000 2.181 26 Y HA -0.067 4.483 4.550 -0.000 0.000 0.288 26 Y C 1.959 177.742 175.900 -0.196 0.000 1.146 26 Y CA 1.903 59.893 58.100 -0.184 0.000 1.164 26 Y CB -0.398 37.979 38.460 -0.140 0.000 0.982 26 Y HN 0.023 nan 8.280 nan 0.000 0.515 27 A N -0.896 121.749 122.820 -0.292 0.000 2.238 27 A HA 0.092 4.412 4.320 -0.000 0.000 0.210 27 A C 0.629 178.000 177.584 -0.356 0.000 1.179 27 A CA 0.398 52.234 52.037 -0.334 0.000 0.827 27 A CB -0.113 18.777 19.000 -0.183 0.000 0.856 27 A HN 0.481 nan 8.150 nan 0.000 0.488 28 Q N -1.747 117.735 119.800 -0.531 0.000 2.452 28 Q HA -0.206 4.134 4.340 -0.000 0.000 0.318 28 Q C -0.832 174.894 176.000 -0.457 0.000 1.386 28 Q CA 0.932 56.405 55.803 -0.549 0.000 0.872 28 Q CB -1.834 26.842 28.738 -0.104 0.000 1.151 28 Q HN 0.599 nan 8.270 nan 0.000 0.417 29 L N -0.263 120.523 121.223 -0.729 0.000 2.436 29 L HA 0.652 4.992 4.340 -0.000 0.000 0.268 29 L C -1.084 175.636 176.870 -0.250 0.000 0.974 29 L CA -0.538 54.134 54.840 -0.279 0.000 0.826 29 L CB 1.337 43.304 42.059 -0.153 0.000 1.291 29 L HN 0.016 nan 8.230 nan 0.000 0.406 30 F N 2.290 122.355 119.950 0.192 0.000 2.404 30 F HA 0.613 5.140 4.527 -0.000 0.000 0.339 30 F C 0.495 176.360 175.800 0.109 0.000 1.105 30 F CA -0.139 58.011 58.000 0.250 0.000 1.087 30 F CB 2.001 41.169 39.000 0.281 0.000 1.143 30 F HN 0.371 nan 8.300 nan 0.000 0.491 31 T N 5.307 120.012 114.554 0.252 0.000 2.815 31 T HA 0.530 4.880 4.350 -0.000 0.000 0.289 31 T C -0.960 173.776 174.700 0.059 0.000 1.000 31 T CA -0.491 61.636 62.100 0.046 0.000 0.958 31 T CB 0.691 69.520 68.868 -0.064 0.000 0.944 31 T HN 0.066 nan 8.240 nan 0.000 0.442 32 L N 4.497 125.739 121.223 0.032 0.000 2.313 32 L HA 0.657 4.997 4.340 -0.000 0.000 0.283 32 L C -0.340 176.569 176.870 0.065 0.000 1.013 32 L CA -0.654 54.273 54.840 0.145 0.000 0.816 32 L CB 1.221 43.458 42.059 0.296 0.000 1.236 32 L HN 0.637 nan 8.230 nan 0.000 0.419 33 I N 3.333 123.966 120.570 0.104 0.000 2.582 33 I HA 0.498 4.668 4.170 -0.000 0.000 0.292 33 I C -0.405 175.815 176.117 0.172 0.000 1.066 33 I CA -0.704 60.658 61.300 0.104 0.000 1.053 33 I CB 2.323 40.332 38.000 0.015 0.000 1.241 33 I HN 0.449 nan 8.210 nan 0.000 0.421 34 K N 5.657 126.195 120.400 0.229 0.000 2.690 34 K HA 0.215 4.535 4.320 -0.000 0.000 0.264 34 K C -1.098 175.598 176.600 0.159 0.000 1.040 34 K CA -0.351 56.004 56.287 0.112 0.000 0.946 34 K CB 0.964 33.428 32.500 -0.060 0.000 1.268 34 K HN 0.765 nan 8.250 nan 0.000 0.473 35 D N 1.646 122.121 120.400 0.125 0.000 3.845 35 D HA -0.251 4.389 4.640 -0.000 0.000 0.144 35 D C 0.920 177.350 176.300 0.216 0.000 0.889 35 D CA 2.168 56.278 54.000 0.183 0.000 1.096 35 D CB -0.922 40.006 40.800 0.214 0.000 0.515 35 D HN 0.755 nan 8.370 nan 0.000 0.525 36 G N 0.411 109.358 108.800 0.247 0.000 2.920 36 G HA2 0.390 4.350 3.960 -0.000 0.000 0.208 36 G HA3 0.390 4.350 3.960 -0.000 0.000 0.208 36 G C 0.313 175.329 174.900 0.192 0.000 1.159 36 G CA 0.984 46.189 45.100 0.175 0.000 0.784 36 G HN 0.628 nan 8.290 nan 0.000 0.535 37 A N 0.083 123.060 122.820 0.262 0.000 2.274 37 A HA 0.639 4.959 4.320 -0.000 0.000 0.309 37 A C -1.568 176.182 177.584 0.276 0.000 1.226 37 A CA -0.630 51.563 52.037 0.260 0.000 0.853 37 A CB 0.673 19.878 19.000 0.342 0.000 1.146 37 A HN 0.268 nan 8.150 nan 0.000 0.518 38 Y N 3.119 123.469 120.300 0.083 0.000 2.426 38 Y HA 0.502 5.052 4.550 -0.000 0.000 0.325 38 Y C -0.884 175.033 175.900 0.028 0.000 0.989 38 Y CA -0.512 57.635 58.100 0.078 0.000 1.284 38 Y CB 1.348 39.845 38.460 0.062 0.000 1.104 38 Y HN 0.459 nan 8.280 nan 0.000 0.481 39 V N 5.998 125.887 119.914 -0.042 0.000 2.581 39 V HA 0.514 4.634 4.120 -0.000 0.000 0.303 39 V C -0.735 175.360 176.094 0.002 0.000 1.041 39 V CA -1.058 61.216 62.300 -0.044 0.000 0.907 39 V CB 1.929 33.634 31.823 -0.197 0.000 0.994 39 V HN 0.564 nan 8.190 nan 0.000 0.442 40 K N 2.830 123.274 120.400 0.074 0.000 2.376 40 K HA 0.808 5.128 4.320 -0.000 0.000 0.257 40 K C -1.586 175.098 176.600 0.140 0.000 0.939 40 K CA -0.651 55.706 56.287 0.116 0.000 0.809 40 K CB 2.556 35.135 32.500 0.133 0.000 1.121 40 K HN 0.419 nan 8.250 nan 0.000 0.425 41 V N 3.082 123.122 119.914 0.211 0.000 2.817 41 V HA 0.350 4.470 4.120 -0.000 0.000 0.303 41 V C -1.742 174.533 176.094 0.301 0.000 1.151 41 V CA -0.763 61.678 62.300 0.235 0.000 0.929 41 V CB 1.926 33.915 31.823 0.276 0.000 1.030 41 V HN 0.667 nan 8.190 nan 0.000 0.427 42 K N 6.320 126.857 120.400 0.228 0.000 2.138 42 K HA 0.566 4.886 4.320 -0.000 0.000 0.263 42 K C -2.742 174.012 176.600 0.257 0.000 0.965 42 K CA -1.835 54.597 56.287 0.242 0.000 0.868 42 K CB 1.622 34.201 32.500 0.132 0.000 1.083 42 K HN 0.424 nan 8.250 nan 0.000 0.443 43 P HA -0.075 nan 4.420 nan 0.000 0.264 43 P C 0.660 178.050 177.300 0.150 0.000 1.193 43 P CA 0.996 64.239 63.100 0.238 0.000 0.763 43 P CB 0.470 32.319 31.700 0.248 0.000 0.810 44 G N 2.028 110.895 108.800 0.111 0.000 2.212 44 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.266 44 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.266 44 G C 0.499 175.443 174.900 0.074 0.000 0.978 44 G CA 0.094 45.241 45.100 0.079 0.000 0.632 44 G HN 0.862 nan 8.290 nan 0.000 0.537 45 A N -0.166 122.707 122.820 0.089 0.000 2.425 45 A HA 0.640 4.960 4.320 -0.000 0.000 0.249 45 A C 1.096 178.723 177.584 0.072 0.000 1.084 45 A CA 0.907 52.990 52.037 0.076 0.000 0.781 45 A CB 0.327 19.378 19.000 0.085 0.000 1.019 45 A HN 0.481 nan 8.150 nan 0.000 0.490 46 Q N -0.056 119.777 119.800 0.055 0.000 2.444 46 Q HA 0.053 4.392 4.340 -0.000 0.000 0.206 46 Q C 0.423 176.453 176.000 0.050 0.000 0.948 46 Q CA 1.022 56.855 55.803 0.050 0.000 0.946 46 Q CB 0.097 28.857 28.738 0.036 0.000 1.027 46 Q HN 0.925 nan 8.270 nan 0.000 0.513 47 T N -3.785 110.802 114.554 0.055 0.000 2.864 47 T HA 0.816 5.166 4.350 -0.000 0.000 0.299 47 T C -0.932 173.806 174.700 0.063 0.000 1.166 47 T CA -0.699 61.430 62.100 0.048 0.000 1.007 47 T CB 2.217 71.105 68.868 0.032 0.000 1.219 47 T HN 0.022 nan 8.240 nan 0.000 0.506 48 A N 1.128 123.977 122.820 0.048 0.000 2.483 48 A HA 0.885 5.205 4.320 -0.000 0.000 0.286 48 A C -1.240 176.359 177.584 0.025 0.000 1.207 48 A CA -1.020 51.049 52.037 0.054 0.000 0.764 48 A CB 1.317 20.351 19.000 0.057 0.000 1.341 48 A HN 0.836 nan 8.150 nan 0.000 0.428 49 I N 0.815 121.402 120.570 0.029 0.000 2.498 49 I HA 0.486 4.656 4.170 -0.000 0.000 0.290 49 I C -1.107 175.014 176.117 0.007 0.000 1.032 49 I CA -0.526 60.788 61.300 0.025 0.000 1.073 49 I CB 1.546 39.579 38.000 0.055 0.000 1.251 49 I HN 0.273 nan 8.210 nan 0.000 0.426 50 V N 5.366 125.273 119.914 -0.011 0.000 2.482 50 V HA 0.346 4.466 4.120 -0.000 0.000 0.295 50 V C 0.290 176.392 176.094 0.015 0.000 1.026 50 V CA -0.836 61.445 62.300 -0.031 0.000 0.856 50 V CB 1.207 32.969 31.823 -0.101 0.000 1.001 50 V HN 0.911 nan 8.190 nan 0.000 0.424 51 N N 3.916 122.656 118.700 0.067 0.000 2.725 51 N HA -0.244 4.496 4.740 -0.000 0.000 0.251 51 N C 1.152 176.674 175.510 0.020 0.000 1.031 51 N CA 0.452 53.533 53.050 0.052 0.000 0.720 51 N CB -0.636 37.873 38.487 0.035 0.000 0.930 51 N HN 1.422 nan 8.380 nan 0.000 0.543 52 G N -1.208 107.607 108.800 0.026 0.000 2.189 52 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.267 52 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.267 52 G C -0.144 174.761 174.900 0.008 0.000 0.975 52 G CA 0.511 45.617 45.100 0.010 0.000 0.644 52 G HN 0.438 nan 8.290 nan 0.000 0.537 53 Q N 0.518 120.322 119.800 0.007 0.000 2.312 53 Q HA 0.453 4.793 4.340 -0.000 0.000 0.263 53 Q C -2.453 173.547 176.000 -0.001 0.000 0.995 53 Q CA -1.984 53.819 55.803 0.000 0.000 0.853 53 Q CB 2.554 31.289 28.738 -0.005 0.000 1.300 53 Q HN 0.298 nan 8.270 nan 0.000 0.448 54 P HA 0.153 nan 4.420 nan 0.000 0.271 54 P C -0.821 176.474 177.300 -0.009 0.000 1.216 54 P CA -0.395 62.705 63.100 0.001 0.000 0.771 54 P CB 0.754 32.457 31.700 0.005 0.000 0.864 55 L N 2.948 124.163 121.223 -0.012 0.000 2.409 55 L HA 0.674 5.014 4.340 -0.000 0.000 0.272 55 L C -0.737 176.127 176.870 -0.010 0.000 0.980 55 L CA -0.921 53.905 54.840 -0.025 0.000 0.826 55 L CB 1.813 43.838 42.059 -0.057 0.000 1.268 55 L HN 0.444 nan 8.230 nan 0.000 0.407 56 A N 5.788 128.605 122.820 -0.006 0.000 2.409 56 A HA 0.624 4.944 4.320 -0.000 0.000 0.262 56 A C -0.677 176.912 177.584 0.008 0.000 1.113 56 A CA -0.261 51.780 52.037 0.006 0.000 0.790 56 A CB -0.035 18.968 19.000 0.006 0.000 1.046 56 A HN 0.747 nan 8.150 nan 0.000 0.496 57 L N 2.248 123.489 121.223 0.030 0.000 2.322 57 L HA 0.289 4.629 4.340 -0.000 0.000 0.279 57 L C 1.282 178.181 176.870 0.048 0.000 1.036 57 L CA -0.453 54.416 54.840 0.048 0.000 0.807 57 L CB 1.543 43.659 42.059 0.095 0.000 1.226 57 L HN 0.914 nan 8.230 nan 0.000 0.433 58 Q N 1.112 120.941 119.800 0.049 0.000 2.187 58 Q HA 0.050 4.390 4.340 -0.000 0.000 0.199 58 Q C -0.428 175.602 176.000 0.050 0.000 0.957 58 Q CA 0.877 56.705 55.803 0.041 0.000 0.857 58 Q CB 0.495 29.256 28.738 0.037 0.000 0.929 58 Q HN 0.432 nan 8.270 nan 0.000 0.453 59 V N 2.272 122.230 119.914 0.074 0.000 2.488 59 V HA 0.267 4.387 4.120 -0.000 0.000 0.293 59 V C -2.368 173.778 176.094 0.087 0.000 1.027 59 V CA -1.769 60.574 62.300 0.070 0.000 0.862 59 V CB 1.536 33.401 31.823 0.069 0.000 1.008 59 V HN 0.043 nan 8.190 nan 0.000 0.428 60 P HA 0.119 nan 4.420 nan 0.000 0.269 60 P C -0.193 177.136 177.300 0.049 0.000 1.217 60 P CA -0.053 63.092 63.100 0.075 0.000 0.783 60 P CB 0.511 32.248 31.700 0.062 0.000 0.898 61 V N 2.349 122.286 119.914 0.038 0.000 2.715 61 V HA 0.170 4.289 4.120 -0.000 0.000 0.299 61 V C 0.472 176.585 176.094 0.031 0.000 1.054 61 V CA 0.111 62.387 62.300 -0.039 0.000 1.077 61 V CB 0.886 32.681 31.823 -0.047 0.000 0.972 61 V HN 0.376 nan 8.190 nan 0.000 0.484 62 V N 4.120 124.059 119.914 0.041 0.000 2.604 62 V HA 0.641 4.761 4.120 -0.000 0.000 0.305 62 V C -0.436 175.727 176.094 0.115 0.000 1.043 62 V CA -0.986 61.355 62.300 0.067 0.000 0.888 62 V CB 2.010 33.854 31.823 0.036 0.000 0.995 62 V HN 0.672 nan 8.190 nan 0.000 0.429 63 M N 3.954 123.606 119.600 0.087 0.000 2.080 63 M HA 0.588 5.068 4.480 -0.000 0.000 0.350 63 M C -0.549 175.787 176.300 0.060 0.000 1.173 63 M CA -0.153 55.197 55.300 0.085 0.000 1.052 63 M CB 0.771 33.397 32.600 0.042 0.000 1.577 63 M HN 0.832 nan 8.290 nan 0.000 0.455 64 K N 1.820 122.283 120.400 0.105 0.000 2.507 64 K HA 0.270 4.590 4.320 -0.000 0.000 0.252 64 K C -0.489 176.159 176.600 0.081 0.000 0.943 64 K CA -0.132 56.168 56.287 0.022 0.000 0.808 64 K CB 0.958 33.380 32.500 -0.131 0.000 1.142 64 K HN 0.612 nan 8.250 nan 0.000 0.426 65 D N 3.205 123.624 120.400 0.031 0.000 2.751 65 D HA -0.240 4.400 4.640 -0.000 0.000 0.233 65 D C -0.942 175.378 176.300 0.034 0.000 1.149 65 D CA 1.475 55.495 54.000 0.033 0.000 0.682 65 D CB -1.243 39.581 40.800 0.040 0.000 1.068 65 D HN 0.920 nan 8.370 nan 0.000 0.429 66 N N -1.521 117.186 118.700 0.012 0.000 2.776 66 N HA -0.242 4.498 4.740 -0.000 0.000 0.250 66 N C -1.115 174.363 175.510 -0.054 0.000 1.112 66 N CA 1.595 54.620 53.050 -0.041 0.000 0.733 66 N CB -0.405 38.059 38.487 -0.039 0.000 1.097 66 N HN 0.563 nan 8.380 nan 0.000 0.558 67 K N -0.260 120.157 120.400 0.027 0.000 2.443 67 K HA 0.773 5.093 4.320 -0.000 0.000 0.252 67 K C -0.473 176.159 176.600 0.052 0.000 0.933 67 K CA -0.523 55.766 56.287 0.002 0.000 0.792 67 K CB 1.971 34.509 32.500 0.063 0.000 1.185 67 K HN 0.147 nan 8.250 nan 0.000 0.425 68 A N 2.199 124.962 122.820 -0.094 0.000 2.302 68 A HA 0.630 4.950 4.320 -0.000 0.000 0.285 68 A C -1.377 176.049 177.584 -0.264 0.000 1.105 68 A CA -0.300 51.693 52.037 -0.073 0.000 0.816 68 A CB 0.228 19.112 19.000 -0.193 0.000 1.067 68 A HN 0.675 nan 8.150 nan 0.000 0.489 69 W N -0.076 121.107 121.300 -0.195 0.000 2.936 69 W HA 0.542 5.202 4.660 -0.000 0.000 0.338 69 W C -0.414 175.954 176.519 -0.251 0.000 1.121 69 W CA -0.378 56.855 57.345 -0.188 0.000 1.209 69 W CB 2.079 31.466 29.460 -0.120 0.000 1.420 69 W HN 0.741 nan 8.180 nan 0.000 0.516 70 V N -0.273 119.582 119.914 -0.098 0.000 3.102 70 V HA 0.770 4.890 4.120 -0.000 0.000 0.312 70 V C 0.112 176.191 176.094 -0.024 0.000 1.135 70 V CA -1.203 60.962 62.300 -0.224 0.000 1.022 70 V CB 1.017 32.421 31.823 -0.698 0.000 1.056 70 V HN 0.569 nan 8.190 nan 0.000 0.436 71 S N 0.995 116.715 115.700 0.034 0.000 2.576 71 S HA 0.048 4.518 4.470 -0.000 0.000 0.272 71 S C 1.028 175.683 174.600 0.093 0.000 1.352 71 S CA 0.605 58.856 58.200 0.084 0.000 1.021 71 S CB 0.656 63.920 63.200 0.106 0.000 0.887 71 S HN 1.200 nan 8.310 nan 0.000 0.542 72 D N 1.210 121.654 120.400 0.073 0.000 2.309 72 D HA -0.109 4.531 4.640 -0.000 0.000 0.212 72 D C 1.378 177.711 176.300 0.055 0.000 0.968 72 D CA 1.350 55.383 54.000 0.056 0.000 0.882 72 D CB -0.696 40.130 40.800 0.043 0.000 0.918 72 D HN 0.534 nan 8.370 nan 0.000 0.503 73 T N -1.256 113.341 114.554 0.072 0.000 3.086 73 T HA 0.071 4.421 4.350 -0.000 0.000 0.250 73 T C 1.011 175.756 174.700 0.075 0.000 1.074 73 T CA -0.495 61.637 62.100 0.053 0.000 0.988 73 T CB -0.621 68.271 68.868 0.040 0.000 0.988 73 T HN 0.038 nan 8.240 nan 0.000 0.530 74 F N 2.262 122.192 119.950 -0.033 0.000 2.027 74 F HA -0.170 4.357 4.527 -0.000 0.000 0.297 74 F C 1.807 177.589 175.800 -0.030 0.000 1.129 74 F CA 1.678 59.659 58.000 -0.032 0.000 1.195 74 F CB -0.574 38.405 39.000 -0.035 0.000 0.960 74 F HN 0.170 nan 8.300 nan 0.000 0.485 75 I N 0.285 120.870 120.570 0.026 0.000 2.087 75 I HA -0.459 3.711 4.170 -0.000 0.000 0.240 75 I C 2.578 178.599 176.117 -0.161 0.000 1.054 75 I CA 2.111 63.318 61.300 -0.155 0.000 1.311 75 I CB -0.836 36.889 38.000 -0.458 0.000 1.024 75 I HN 0.388 nan 8.210 nan 0.000 0.402 76 N N 0.936 119.557 118.700 -0.133 0.000 2.084 76 N HA -0.223 4.517 4.740 -0.000 0.000 0.190 76 N C 1.382 176.839 175.510 -0.089 0.000 1.030 76 N CA 2.092 55.091 53.050 -0.085 0.000 0.849 76 N CB -0.183 38.273 38.487 -0.053 0.000 1.012 76 N HN 0.309 nan 8.380 nan 0.000 0.423 77 D N 0.173 120.501 120.400 -0.119 0.000 2.219 77 D HA -0.061 4.578 4.640 -0.000 0.000 0.205 77 D C 2.017 178.184 176.300 -0.221 0.000 0.970 77 D CA 0.578 54.497 54.000 -0.135 0.000 0.851 77 D CB 0.053 40.786 40.800 -0.111 0.000 0.943 77 D HN 0.195 nan 8.370 nan 0.000 0.488 78 V N -0.117 119.569 119.914 -0.380 0.000 2.403 78 V HA -0.064 4.056 4.120 -0.000 0.000 0.239 78 V C 1.964 177.793 176.094 -0.442 0.000 1.041 78 V CA 0.804 62.789 62.300 -0.526 0.000 1.051 78 V CB -0.503 30.727 31.823 -0.988 0.000 0.704 78 V HN 0.004 nan 8.190 nan 0.000 0.472 79 F N 0.057 119.878 119.950 -0.216 0.000 2.325 79 F HA -0.051 4.476 4.527 -0.000 0.000 0.299 79 F C 2.073 177.864 175.800 -0.016 0.000 1.090 79 F CA 0.969 58.932 58.000 -0.062 0.000 1.392 79 F CB -0.120 38.880 39.000 -0.001 0.000 1.053 79 F HN 0.165 nan 8.300 nan 0.000 0.521 80 Q N -0.552 119.300 119.800 0.086 0.000 2.201 80 Q HA 0.083 4.423 4.340 -0.000 0.000 0.236 80 Q C 1.797 177.802 176.000 0.008 0.000 0.857 80 Q CA 0.127 55.964 55.803 0.058 0.000 1.025 80 Q CB 0.128 28.888 28.738 0.036 0.000 1.124 80 Q HN 0.268 nan 8.270 nan 0.000 0.473 81 S N -1.756 113.928 115.700 -0.028 0.000 2.402 81 S HA 0.038 4.508 4.470 -0.000 0.000 0.229 81 S C 1.677 176.269 174.600 -0.013 0.000 1.021 81 S CA 0.858 59.033 58.200 -0.041 0.000 0.974 81 S CB 0.009 63.163 63.200 -0.077 0.000 0.800 81 S HN 0.489 nan 8.310 nan 0.000 0.484 82 G N 0.796 109.601 108.800 0.009 0.000 2.253 82 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.209 82 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.209 82 G C 0.673 175.584 174.900 0.018 0.000 0.997 82 G CA 0.129 45.243 45.100 0.022 0.000 0.640 82 G HN 0.449 nan 8.290 nan 0.000 0.496 83 L N 0.879 122.102 121.223 -0.000 0.000 2.291 83 L HA 0.175 4.515 4.340 -0.000 0.000 0.214 83 L C 1.078 177.957 176.870 0.014 0.000 1.120 83 L CA 1.080 55.917 54.840 -0.004 0.000 0.799 83 L CB -0.074 41.968 42.059 -0.028 0.000 0.925 83 L HN 0.261 nan 8.230 nan 0.000 0.446 84 D N 0.175 120.597 120.400 0.036 0.000 2.411 84 D HA 0.056 4.695 4.640 -0.000 0.000 0.225 84 D C 0.595 176.946 176.300 0.086 0.000 1.156 84 D CA 0.012 54.056 54.000 0.073 0.000 0.874 84 D CB 1.156 42.033 40.800 0.128 0.000 1.034 84 D HN 0.047 nan 8.370 nan 0.000 0.502 85 Q N 1.789 121.621 119.800 0.052 0.000 2.365 85 Q HA 0.025 4.365 4.340 -0.000 0.000 0.203 85 Q C 1.345 177.359 176.000 0.024 0.000 0.929 85 Q CA 0.159 55.987 55.803 0.043 0.000 0.948 85 Q CB 0.445 29.192 28.738 0.016 0.000 1.043 85 Q HN 0.521 nan 8.270 nan 0.000 0.505 86 T N 0.289 114.854 114.554 0.019 0.000 2.635 86 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 86 T C 0.162 174.727 174.700 -0.225 0.000 1.040 86 T CA 1.268 63.301 62.100 -0.111 0.000 1.156 86 T CB -0.090 68.735 68.868 -0.073 0.000 0.863 86 T HN 0.113 nan 8.240 nan 0.000 0.430 87 F N 1.522 121.506 119.950 0.057 0.000 2.420 87 F HA 0.478 5.005 4.527 -0.000 0.000 0.342 87 F C 0.504 176.328 175.800 0.040 0.000 1.113 87 F CA -0.985 57.046 58.000 0.052 0.000 1.059 87 F CB 1.061 40.093 39.000 0.053 0.000 1.128 87 F HN -0.129 nan 8.300 nan 0.000 0.475 88 Q N 2.249 122.151 119.800 0.169 0.000 2.387 88 Q HA 0.490 4.830 4.340 -0.000 0.000 0.273 88 Q C -0.713 175.354 176.000 0.110 0.000 1.089 88 Q CA -1.087 54.781 55.803 0.108 0.000 0.824 88 Q CB 2.767 31.540 28.738 0.058 0.000 1.367 88 Q HN 0.568 nan 8.270 nan 0.000 0.443 89 V N -1.253 118.711 119.914 0.083 0.000 2.637 89 V HA 0.226 4.346 4.120 -0.000 0.000 0.296 89 V C 0.194 176.330 176.094 0.071 0.000 1.046 89 V CA -0.324 62.021 62.300 0.074 0.000 1.066 89 V CB 0.717 32.574 31.823 0.055 0.000 0.968 89 V HN 0.808 nan 8.190 nan 0.000 0.483 90 E N 3.528 123.773 120.200 0.076 0.000 2.035 90 E HA 0.282 4.632 4.350 -0.000 0.000 0.271 90 E C 0.497 177.146 176.600 0.080 0.000 0.953 90 E CA -0.491 55.961 56.400 0.086 0.000 0.777 90 E CB 0.918 30.676 29.700 0.097 0.000 1.104 90 E HN 0.789 nan 8.360 nan 0.000 0.408 91 K N 2.861 123.306 120.400 0.076 0.000 2.228 91 K HA 0.047 4.367 4.320 -0.000 0.000 0.202 91 K C 0.370 177.021 176.600 0.085 0.000 1.051 91 K CA 0.657 56.984 56.287 0.066 0.000 0.960 91 K CB 0.332 32.861 32.500 0.049 0.000 0.743 91 K HN 0.280 nan 8.250 nan 0.000 0.458 92 R N 1.675 122.250 120.500 0.126 0.000 2.412 92 R HA 0.220 4.560 4.340 -0.000 0.000 0.304 92 R C -2.692 173.758 176.300 0.251 0.000 1.066 92 R CA -1.842 54.370 56.100 0.187 0.000 0.923 92 R CB 1.516 31.937 30.300 0.203 0.000 1.156 92 R HN -0.047 nan 8.270 nan 0.000 0.513 93 P HA -0.067 nan 4.420 nan 0.000 0.267 93 P C -0.599 176.656 177.300 -0.074 0.000 1.205 93 P CA 0.039 63.190 63.100 0.085 0.000 0.765 93 P CB 0.499 32.217 31.700 0.029 0.000 0.828 94 H N 6.215 125.191 119.070 -0.157 0.000 2.815 94 H HA 0.035 4.591 4.556 -0.000 0.000 0.350 94 H C -1.330 173.666 175.328 -0.553 0.000 1.080 94 H CA -1.282 54.442 56.048 -0.540 0.000 1.433 94 H CB 0.739 30.414 29.762 -0.144 0.000 1.432 94 H HN 0.244 nan 8.280 nan 0.000 0.592 95 P HA -0.065 nan 4.420 nan 0.000 0.228 95 P C 1.084 178.262 177.300 -0.204 0.000 1.151 95 P CA 0.845 63.697 63.100 -0.412 0.000 0.770 95 P CB 0.297 31.723 31.700 -0.457 0.000 0.786 96 L N -1.430 119.730 121.223 -0.105 0.000 2.667 96 L HA 0.178 4.518 4.340 -0.000 0.000 0.232 96 L C 0.729 177.525 176.870 -0.124 0.000 1.138 96 L CA -0.288 54.415 54.840 -0.227 0.000 0.921 96 L CB -0.646 41.143 42.059 -0.449 0.000 1.180 96 L HN -0.069 nan 8.230 nan 0.000 0.487 97 N N 1.334 120.035 118.700 0.001 0.000 2.356 97 N HA 0.124 4.864 4.740 -0.000 0.000 0.252 97 N C 0.488 176.021 175.510 0.038 0.000 1.241 97 N CA -0.182 52.946 53.050 0.131 0.000 0.861 97 N CB 0.924 39.461 38.487 0.083 0.000 1.075 97 N HN 0.197 nan 8.380 nan 0.000 0.461 98 A N 3.076 125.914 122.820 0.030 0.000 2.386 98 A HA 0.159 4.479 4.320 -0.000 0.000 0.246 98 A C 0.449 178.026 177.584 -0.012 0.000 1.089 98 A CA -0.326 51.706 52.037 -0.007 0.000 0.790 98 A CB 0.211 19.194 19.000 -0.027 0.000 1.042 98 A HN 0.643 nan 8.150 nan 0.000 0.497 99 L N 1.295 122.508 121.223 -0.018 0.000 2.490 99 L HA 0.148 4.487 4.340 -0.000 0.000 0.274 99 L C 1.368 178.225 176.870 -0.021 0.000 1.201 99 L CA -0.069 54.760 54.840 -0.019 0.000 0.869 99 L CB 0.098 42.144 42.059 -0.021 0.000 1.123 99 L HN 0.966 nan 8.230 nan 0.000 0.484 100 T N -0.338 114.204 114.554 -0.019 0.000 2.788 100 T HA 0.358 4.708 4.350 -0.000 0.000 0.280 100 T C 1.209 175.893 174.700 -0.026 0.000 0.984 100 T CA -0.240 61.848 62.100 -0.020 0.000 0.972 100 T CB 1.432 70.291 68.868 -0.015 0.000 1.039 100 T HN 0.621 nan 8.240 nan 0.000 0.530 101 A N 0.525 123.329 122.820 -0.026 0.000 1.940 101 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 101 A C 2.012 179.573 177.584 -0.037 0.000 1.176 101 A CA 1.745 53.763 52.037 -0.033 0.000 0.631 101 A CB -1.028 17.955 19.000 -0.027 0.000 0.814 101 A HN 0.885 nan 8.150 nan 0.000 0.446 102 D N -0.411 119.971 120.400 -0.030 0.000 2.144 102 D HA -0.089 4.551 4.640 -0.000 0.000 0.200 102 D C 1.915 178.194 176.300 -0.034 0.000 0.978 102 D CA 1.285 55.267 54.000 -0.031 0.000 0.833 102 D CB -0.328 40.459 40.800 -0.022 0.000 0.961 102 D HN 0.660 nan 8.370 nan 0.000 0.470 103 E N 0.106 120.287 120.200 -0.031 0.000 2.152 103 E HA -0.051 4.299 4.350 -0.000 0.000 0.192 103 E C 2.235 178.808 176.600 -0.045 0.000 0.983 103 E CA 0.269 56.650 56.400 -0.031 0.000 0.818 103 E CB 0.123 29.809 29.700 -0.024 0.000 0.758 103 E HN 0.304 nan 8.360 nan 0.000 0.467 104 I N 1.161 121.698 120.570 -0.055 0.000 2.252 104 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 104 I C 2.242 178.290 176.117 -0.115 0.000 1.102 104 I CA 1.148 62.397 61.300 -0.084 0.000 1.385 104 I CB -0.084 37.867 38.000 -0.083 0.000 1.064 104 I HN 0.004 nan 8.210 nan 0.000 0.414 105 K N 0.130 120.474 120.400 -0.093 0.000 2.103 105 K HA -0.200 4.120 4.320 -0.000 0.000 0.204 105 K C 2.146 178.693 176.600 -0.088 0.000 1.052 105 K CA 1.006 57.233 56.287 -0.100 0.000 0.945 105 K CB -0.121 32.335 32.500 -0.072 0.000 0.722 105 K HN 0.345 nan 8.250 nan 0.000 0.443 106 Q N 0.571 120.332 119.800 -0.064 0.000 2.046 106 Q HA -0.134 4.206 4.340 -0.000 0.000 0.200 106 Q C 2.064 178.038 176.000 -0.044 0.000 0.975 106 Q CA 1.421 57.197 55.803 -0.046 0.000 0.836 106 Q CB -0.068 28.652 28.738 -0.031 0.000 0.896 106 Q HN 0.304 nan 8.270 nan 0.000 0.428 107 A N 0.027 122.818 122.820 -0.048 0.000 1.940 107 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 107 A C 2.191 179.750 177.584 -0.041 0.000 1.176 107 A CA 1.580 53.600 52.037 -0.028 0.000 0.631 107 A CB -0.718 18.264 19.000 -0.030 0.000 0.814 107 A HN 0.309 nan 8.150 nan 0.000 0.446 108 V N 0.008 119.846 119.914 -0.128 0.000 2.427 108 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 108 V C 2.388 178.413 176.094 -0.115 0.000 1.051 108 V CA 2.202 64.385 62.300 -0.194 0.000 1.048 108 V CB -0.750 30.866 31.823 -0.346 0.000 0.666 108 V HN 0.630 nan 8.190 nan 0.000 0.456 109 E N -0.164 119.979 120.200 -0.095 0.000 2.107 109 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 109 E C 2.205 178.774 176.600 -0.051 0.000 0.982 109 E CA 1.226 57.576 56.400 -0.084 0.000 0.809 109 E CB -0.148 29.515 29.700 -0.062 0.000 0.756 109 E HN 0.555 nan 8.360 nan 0.000 0.459 110 I N 1.102 121.665 120.570 -0.011 0.000 2.163 110 I HA -0.249 3.921 4.170 -0.000 0.000 0.243 110 I C 2.622 178.786 176.117 0.080 0.000 1.085 110 I CA 1.109 62.427 61.300 0.031 0.000 1.347 110 I CB -0.388 37.642 38.000 0.049 0.000 1.044 110 I HN 0.080 nan 8.210 nan 0.000 0.408 111 V N -1.816 118.183 119.914 0.141 0.000 2.667 111 V HA -0.128 3.992 4.120 -0.000 0.000 0.252 111 V C 2.116 178.292 176.094 0.138 0.000 1.065 111 V CA 1.279 63.774 62.300 0.324 0.000 1.083 111 V CB -0.809 31.341 31.823 0.546 0.000 0.692 111 V HN 0.322 nan 8.190 nan 0.000 0.468 112 K N 1.012 121.283 120.400 -0.214 0.000 2.365 112 K HA 0.244 4.564 4.320 -0.000 0.000 0.199 112 K C 2.150 178.627 176.600 -0.205 0.000 1.045 112 K CA 1.056 56.987 56.287 -0.593 0.000 0.962 112 K CB -0.218 31.921 32.500 -0.601 0.000 0.759 112 K HN 0.596 nan 8.250 nan 0.000 0.469 113 A N 1.020 123.789 122.820 -0.086 0.000 2.167 113 A HA -0.009 4.311 4.320 -0.000 0.000 0.214 113 A C 1.110 178.676 177.584 -0.031 0.000 1.151 113 A CA 0.244 52.254 52.037 -0.046 0.000 0.735 113 A CB 0.017 18.999 19.000 -0.029 0.000 0.802 113 A HN 0.168 nan 8.150 nan 0.000 0.467 114 S N -0.582 115.106 115.700 -0.020 0.000 2.565 114 S HA 0.448 4.918 4.470 -0.000 0.000 0.276 114 S C 1.162 175.694 174.600 -0.113 0.000 1.326 114 S CA -0.005 58.137 58.200 -0.097 0.000 1.045 114 S CB 1.180 64.255 63.200 -0.208 0.000 0.918 114 S HN 0.727 nan 8.310 nan 0.000 0.505 115 A N 3.323 126.049 122.820 -0.157 0.000 2.209 115 A HA 0.059 4.379 4.320 -0.000 0.000 0.212 115 A C 1.384 178.865 177.584 -0.172 0.000 1.158 115 A CA 0.899 52.864 52.037 -0.120 0.000 0.742 115 A CB -0.306 18.633 19.000 -0.102 0.000 0.790 115 A HN 0.868 nan 8.150 nan 0.000 0.472 116 D N -1.508 118.662 120.400 -0.383 0.000 2.348 116 D HA 0.070 4.710 4.640 -0.000 0.000 0.211 116 D C 0.020 176.224 176.300 -0.159 0.000 0.998 116 D CA -0.005 53.729 54.000 -0.444 0.000 0.873 116 D CB -0.072 40.099 40.800 -1.048 0.000 0.925 116 D HN 0.441 nan 8.370 nan 0.000 0.524 117 F N 2.675 122.528 119.950 -0.162 0.000 2.541 117 F HA 0.047 4.574 4.527 -0.000 0.000 0.378 117 F C 0.674 176.531 175.800 0.095 0.000 1.068 117 F CA -0.101 58.002 58.000 0.172 0.000 1.199 117 F CB 0.424 39.535 39.000 0.185 0.000 1.091 117 F HN -0.455 nan 8.300 nan 0.000 0.555 118 K N 8.115 128.326 120.400 -0.316 0.000 2.130 118 K HA 0.250 4.570 4.320 -0.000 0.000 0.268 118 K C -1.690 174.808 176.600 -0.171 0.000 0.983 118 K CA -1.659 54.531 56.287 -0.161 0.000 0.893 118 K CB 1.139 33.550 32.500 -0.148 0.000 1.066 118 K HN 0.295 nan 8.250 nan 0.000 0.450 119 P HA -0.231 nan 4.420 nan 0.000 0.222 119 P C -0.040 177.312 177.300 0.087 0.000 1.159 119 P CA 1.809 64.970 63.100 0.102 0.000 0.920 119 P CB 0.120 31.859 31.700 0.065 0.000 0.793 120 N N -2.124 116.576 118.700 -0.000 0.000 2.453 120 N HA 0.100 4.840 4.740 -0.000 0.000 0.270 120 N C -0.612 174.870 175.510 -0.047 0.000 1.195 120 N CA -0.104 52.958 53.050 0.021 0.000 0.902 120 N CB -0.095 38.409 38.487 0.028 0.000 1.186 120 N HN 0.007 nan 8.380 nan 0.000 0.510 121 T N 1.035 115.474 114.554 -0.193 0.000 2.928 121 T HA 0.114 4.464 4.350 -0.000 0.000 0.305 121 T C 0.670 175.203 174.700 -0.278 0.000 1.035 121 T CA 0.379 62.257 62.100 -0.371 0.000 1.145 121 T CB 0.717 69.051 68.868 -0.889 0.000 0.963 121 T HN 0.172 nan 8.240 nan 0.000 0.545 122 R N 0.907 121.230 120.500 -0.295 0.000 2.828 122 R HA 0.572 4.912 4.340 -0.000 0.000 0.264 122 R C -1.042 175.004 176.300 -0.423 0.000 1.022 122 R CA -0.736 55.276 56.100 -0.147 0.000 1.021 122 R CB 1.133 31.520 30.300 0.145 0.000 1.163 122 R HN 0.472 nan 8.270 nan 0.000 0.494 123 F N 0.216 120.248 119.950 0.137 0.000 2.382 123 F HA 0.181 4.708 4.527 -0.000 0.000 0.361 123 F C 1.477 177.347 175.800 0.116 0.000 1.109 123 F CA -0.670 57.395 58.000 0.107 0.000 1.031 123 F CB 1.812 40.868 39.000 0.094 0.000 1.234 123 F HN 0.632 nan 8.300 nan 0.000 0.445 124 T N -1.675 112.992 114.554 0.189 0.000 2.951 124 T HA 0.002 4.352 4.350 -0.000 0.000 0.268 124 T C 0.388 175.176 174.700 0.148 0.000 1.073 124 T CA 0.787 62.977 62.100 0.149 0.000 1.134 124 T CB 0.162 69.087 68.868 0.094 0.000 0.884 124 T HN 0.593 nan 8.240 nan 0.000 0.479 125 E N -0.455 119.845 120.200 0.168 0.000 2.388 125 E HA 0.497 4.847 4.350 -0.000 0.000 0.289 125 E C -2.018 174.661 176.600 0.132 0.000 0.944 125 E CA -0.706 55.769 56.400 0.126 0.000 0.792 125 E CB 1.718 31.464 29.700 0.076 0.000 1.239 125 E HN 0.362 nan 8.360 nan 0.000 0.412 126 I N 3.078 123.702 120.570 0.089 0.000 2.493 126 I HA 0.366 4.536 4.170 -0.000 0.000 0.279 126 I C -0.726 175.408 176.117 0.028 0.000 1.045 126 I CA -0.302 61.030 61.300 0.054 0.000 1.106 126 I CB 1.714 39.710 38.000 -0.007 0.000 1.216 126 I HN 0.283 nan 8.210 nan 0.000 0.459 127 S N 4.715 120.433 115.700 0.031 0.000 2.627 127 S HA 0.559 5.029 4.470 -0.000 0.000 0.283 127 S C -0.764 173.843 174.600 0.011 0.000 1.127 127 S CA -0.658 57.551 58.200 0.016 0.000 0.863 127 S CB 2.382 65.598 63.200 0.026 0.000 1.121 127 S HN 0.448 nan 8.310 nan 0.000 0.479 128 L N 2.160 123.381 121.223 -0.002 0.000 2.485 128 L HA 0.382 4.722 4.340 -0.000 0.000 0.275 128 L C -0.736 176.134 176.870 -0.001 0.000 1.207 128 L CA -0.004 54.832 54.840 -0.007 0.000 0.855 128 L CB 0.168 42.214 42.059 -0.021 0.000 1.114 128 L HN 0.562 nan 8.230 nan 0.000 0.485 129 L N 8.564 129.788 121.223 0.002 0.000 2.283 129 L HA 0.609 4.949 4.340 -0.000 0.000 0.281 129 L C -2.368 174.501 176.870 -0.001 0.000 1.033 129 L CA -2.058 52.786 54.840 0.007 0.000 0.848 129 L CB 0.571 42.639 42.059 0.015 0.000 1.226 129 L HN 0.515 nan 8.230 nan 0.000 0.429 130 P HA 0.370 nan 4.420 nan 0.000 0.274 130 P C -2.669 174.633 177.300 0.004 0.000 1.231 130 P CA -1.245 61.848 63.100 -0.011 0.000 0.790 130 P CB 0.017 31.714 31.700 -0.004 0.000 0.951 131 P HA 0.091 nan 4.420 nan 0.000 0.274 131 P C -0.624 176.691 177.300 0.026 0.000 1.260 131 P CA -0.022 63.079 63.100 0.001 0.000 0.793 131 P CB -0.050 31.637 31.700 -0.021 0.000 1.048 132 D N -1.269 119.147 120.400 0.028 0.000 2.362 132 D HA 0.056 4.696 4.640 -0.000 0.000 0.242 132 D C 1.102 177.402 176.300 0.000 0.000 1.132 132 D CA -0.537 53.485 54.000 0.036 0.000 0.907 132 D CB 0.535 41.360 40.800 0.040 0.000 1.195 132 D HN 0.312 nan 8.370 nan 0.000 0.429 133 K N 0.635 120.987 120.400 -0.080 0.000 2.089 133 K HA -0.350 3.970 4.320 -0.000 0.000 0.210 133 K C 1.701 178.177 176.600 -0.207 0.000 1.048 133 K CA 1.825 57.873 56.287 -0.398 0.000 0.926 133 K CB -0.023 32.006 32.500 -0.786 0.000 0.714 133 K HN 0.651 nan 8.250 nan 0.000 0.448 134 E N -0.376 119.788 120.200 -0.060 0.000 2.077 134 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 134 E C 1.814 178.469 176.600 0.091 0.000 0.989 134 E CA 1.079 57.507 56.400 0.047 0.000 0.800 134 E CB -0.166 29.552 29.700 0.030 0.000 0.746 134 E HN 0.476 nan 8.360 nan 0.000 0.452 135 A N 0.422 123.277 122.820 0.058 0.000 1.930 135 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 135 A C 2.359 180.000 177.584 0.095 0.000 1.175 135 A CA 1.245 53.325 52.037 0.072 0.000 0.627 135 A CB -0.472 18.554 19.000 0.042 0.000 0.815 135 A HN 0.224 nan 8.150 nan 0.000 0.443 136 V N -2.337 117.616 119.914 0.065 0.000 2.358 136 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 136 V C 2.200 178.381 176.094 0.145 0.000 1.047 136 V CA 1.632 63.955 62.300 0.038 0.000 1.035 136 V CB -0.983 30.862 31.823 0.036 0.000 0.658 136 V HN 0.792 nan 8.190 nan 0.000 0.452 137 W N -0.035 121.353 121.300 0.146 0.000 2.402 137 W HA -0.088 4.572 4.660 -0.000 0.000 0.286 137 W C 2.521 179.098 176.519 0.097 0.000 1.221 137 W CA 0.956 58.385 57.345 0.140 0.000 1.257 137 W CB -0.161 29.343 29.460 0.073 0.000 1.120 137 W HN 0.194 nan 8.180 nan 0.000 0.551 138 A N -0.696 122.316 122.820 0.319 0.000 2.015 138 A HA -0.181 4.138 4.320 -0.000 0.000 0.219 138 A C 1.608 179.288 177.584 0.160 0.000 1.163 138 A CA 1.194 53.346 52.037 0.191 0.000 0.646 138 A CB -1.048 18.028 19.000 0.127 0.000 0.806 138 A HN 0.408 nan 8.150 nan 0.000 0.448 139 F N 0.900 120.870 119.950 0.033 0.000 2.128 139 F HA 0.030 4.557 4.527 -0.000 0.000 0.295 139 F C 2.454 178.250 175.800 -0.007 0.000 1.100 139 F CA 1.305 59.284 58.000 -0.036 0.000 1.260 139 F CB -0.343 38.562 39.000 -0.157 0.000 1.009 139 F HN 0.225 nan 8.300 nan 0.000 0.476 140 A N 0.397 123.378 122.820 0.268 0.000 1.930 140 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 140 A C 2.160 179.847 177.584 0.173 0.000 1.175 140 A CA 1.825 54.007 52.037 0.241 0.000 0.627 140 A CB -0.975 18.262 19.000 0.395 0.000 0.815 140 A HN 0.515 nan 8.150 nan 0.000 0.443 141 L N -1.844 119.499 121.223 0.201 0.000 2.354 141 L HA 0.096 4.436 4.340 -0.000 0.000 0.212 141 L C 1.723 178.610 176.870 0.028 0.000 1.091 141 L CA 0.737 55.649 54.840 0.121 0.000 0.828 141 L CB -0.017 42.112 42.059 0.116 0.000 0.973 141 L HN 0.368 nan 8.230 nan 0.000 0.461 142 E N -0.902 119.298 120.200 -0.001 0.000 2.601 142 E HA 0.116 4.466 4.350 -0.000 0.000 0.219 142 E C -0.223 176.316 176.600 -0.103 0.000 0.964 142 E CA -0.154 56.223 56.400 -0.038 0.000 1.050 142 E CB 0.609 30.305 29.700 -0.007 0.000 1.068 142 E HN 0.254 nan 8.360 nan 0.000 0.496 143 N N 1.549 120.117 118.700 -0.220 0.000 2.800 143 N HA -0.199 4.541 4.740 -0.000 0.000 0.250 143 N C -0.061 175.306 175.510 -0.238 0.000 1.078 143 N CA 0.962 53.788 53.050 -0.373 0.000 0.804 143 N CB -1.181 37.149 38.487 -0.262 0.000 1.135 143 N HN 0.230 nan 8.380 nan 0.000 0.565 144 K N 2.066 122.402 120.400 -0.106 0.000 2.383 144 K HA 0.195 4.515 4.320 -0.000 0.000 0.286 144 K C -2.347 174.317 176.600 0.107 0.000 1.051 144 K CA -1.054 55.236 56.287 0.005 0.000 0.974 144 K CB 0.687 33.210 32.500 0.038 0.000 0.968 144 K HN -0.152 nan 8.250 nan 0.000 0.475 145 P HA -0.046 nan 4.420 nan 0.000 0.268 145 P C -0.817 176.569 177.300 0.143 0.000 1.204 145 P CA -0.327 62.883 63.100 0.183 0.000 0.768 145 P CB 0.702 32.466 31.700 0.107 0.000 0.842 146 V N 3.131 123.120 119.914 0.125 0.000 2.732 146 V HA 0.113 4.233 4.120 -0.000 0.000 0.297 146 V C 0.895 177.009 176.094 0.034 0.000 1.060 146 V CA 0.495 62.825 62.300 0.050 0.000 1.038 146 V CB 0.901 32.711 31.823 -0.023 0.000 1.003 146 V HN 0.535 nan 8.190 nan 0.000 0.481 147 D N 3.383 123.799 120.400 0.027 0.000 2.795 147 D HA 0.305 4.945 4.640 -0.000 0.000 0.335 147 D C -0.300 176.008 176.300 0.014 0.000 1.262 147 D CA -0.126 53.887 54.000 0.022 0.000 0.885 147 D CB 0.430 41.245 40.800 0.026 0.000 1.047 147 D HN 0.655 nan 8.370 nan 0.000 0.500 148 Q N 1.079 120.882 119.800 0.005 0.000 2.397 148 Q HA 0.492 4.832 4.340 -0.000 0.000 0.275 148 Q C -2.275 173.723 176.000 -0.002 0.000 1.090 148 Q CA -1.781 54.023 55.803 0.003 0.000 0.809 148 Q CB 2.653 31.391 28.738 -0.000 0.000 1.362 148 Q HN 0.174 nan 8.270 nan 0.000 0.431 149 P HA 0.146 nan 4.420 nan 0.000 0.274 149 P C -0.758 176.539 177.300 -0.005 0.000 1.237 149 P CA -0.464 62.636 63.100 0.000 0.000 0.793 149 P CB 0.715 32.419 31.700 0.006 0.000 0.977 150 R N 2.033 122.528 120.500 -0.009 0.000 2.489 150 R HA 0.219 4.559 4.340 -0.000 0.000 0.287 150 R C 0.437 176.735 176.300 -0.004 0.000 1.053 150 R CA 0.363 56.455 56.100 -0.013 0.000 1.036 150 R CB 0.141 30.432 30.300 -0.015 0.000 0.966 150 R HN 0.507 nan 8.270 nan 0.000 0.432 151 K N 0.884 121.282 120.400 -0.002 0.000 2.375 151 K HA 0.654 4.974 4.320 -0.000 0.000 0.249 151 K C -1.002 175.603 176.600 0.009 0.000 0.942 151 K CA -0.701 55.591 56.287 0.008 0.000 0.806 151 K CB 2.510 35.018 32.500 0.012 0.000 1.227 151 K HN 0.627 nan 8.250 nan 0.000 0.430 152 A N 1.951 124.782 122.820 0.018 0.000 2.401 152 A HA 0.448 4.768 4.320 -0.000 0.000 0.310 152 A C -1.290 176.315 177.584 0.035 0.000 1.075 152 A CA -0.777 51.272 52.037 0.021 0.000 0.746 152 A CB 1.054 20.063 19.000 0.015 0.000 1.277 152 A HN 0.634 nan 8.150 nan 0.000 0.425 153 D N 0.795 121.217 120.400 0.037 0.000 2.210 153 D HA 0.504 5.143 4.640 -0.000 0.000 0.249 153 D C -0.934 175.403 176.300 0.061 0.000 1.078 153 D CA 0.221 54.250 54.000 0.047 0.000 0.875 153 D CB 1.875 42.703 40.800 0.048 0.000 1.175 153 D HN 0.152 nan 8.370 nan 0.000 0.440 154 V N 4.217 124.173 119.914 0.071 0.000 2.462 154 V HA 0.322 4.442 4.120 -0.000 0.000 0.288 154 V C 0.067 176.213 176.094 0.087 0.000 1.020 154 V CA -0.653 61.719 62.300 0.119 0.000 0.857 154 V CB 1.322 33.239 31.823 0.156 0.000 1.013 154 V HN 0.375 nan 8.190 nan 0.000 0.431 155 I N 5.616 126.252 120.570 0.109 0.000 2.321 155 I HA 0.516 4.686 4.170 -0.000 0.000 0.291 155 I C -0.036 176.108 176.117 0.044 0.000 0.998 155 I CA -0.106 61.229 61.300 0.058 0.000 1.227 155 I CB 1.493 39.555 38.000 0.103 0.000 1.368 155 I HN 0.457 nan 8.210 nan 0.000 0.466 156 M N 6.252 125.790 119.600 -0.103 0.000 2.644 156 M HA 0.502 4.982 4.480 -0.000 0.000 0.316 156 M C -1.185 174.992 176.300 -0.204 0.000 1.200 156 M CA -0.903 54.253 55.300 -0.240 0.000 0.944 156 M CB 2.618 34.987 32.600 -0.385 0.000 1.691 156 M HN 0.336 nan 8.290 nan 0.000 0.471 157 L N 2.295 123.385 121.223 -0.222 0.000 2.377 157 L HA 0.398 4.738 4.340 -0.000 0.000 0.270 157 L C -1.234 175.528 176.870 -0.180 0.000 0.991 157 L CA -0.204 54.543 54.840 -0.155 0.000 0.851 157 L CB 0.949 42.953 42.059 -0.092 0.000 1.218 157 L HN 0.547 nan 8.230 nan 0.000 0.420 158 D N 4.447 124.760 120.400 -0.145 0.000 2.479 158 D HA 0.552 5.192 4.640 -0.000 0.000 0.218 158 D C 0.988 177.276 176.300 -0.020 0.000 1.131 158 D CA 0.876 54.803 54.000 -0.122 0.000 0.916 158 D CB 0.524 41.257 40.800 -0.113 0.000 1.022 158 D HN 0.848 nan 8.370 nan 0.000 0.515 159 G N 4.896 113.664 108.800 -0.053 0.000 2.950 159 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.299 159 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.299 159 G C 0.774 175.603 174.900 -0.118 0.000 1.310 159 G CA 0.665 45.739 45.100 -0.043 0.000 0.994 159 G HN 0.653 nan 8.290 nan 0.000 0.575 160 K N 0.696 120.953 120.400 -0.239 0.000 2.477 160 K HA 0.380 4.700 4.320 -0.000 0.000 0.208 160 K C 0.129 176.441 176.600 -0.480 0.000 1.117 160 K CA 0.005 56.076 56.287 -0.361 0.000 1.039 160 K CB 0.446 32.687 32.500 -0.432 0.000 0.937 160 K HN 0.622 nan 8.250 nan 0.000 0.570 161 H N 1.429 120.399 119.070 -0.166 0.000 2.562 161 H HA 0.263 4.819 4.556 -0.000 0.000 0.314 161 H C -0.320 174.890 175.328 -0.196 0.000 1.079 161 H CA -0.597 55.343 56.048 -0.181 0.000 1.349 161 H CB 1.072 30.748 29.762 -0.143 0.000 1.432 161 H HN 0.019 nan 8.280 nan 0.000 0.479 162 I N 4.508 124.995 120.570 -0.138 0.000 2.396 162 I HA 0.139 4.309 4.170 -0.000 0.000 0.292 162 I C -0.336 175.667 176.117 -0.190 0.000 0.999 162 I CA -0.424 60.762 61.300 -0.190 0.000 1.310 162 I CB 0.808 38.611 38.000 -0.330 0.000 1.404 162 I HN 0.470 nan 8.210 nan 0.000 0.496 163 I N 5.679 126.113 120.570 -0.226 0.000 2.619 163 I HA 0.325 4.495 4.170 -0.000 0.000 0.292 163 I C -0.125 175.805 176.117 -0.312 0.000 1.100 163 I CA -0.972 60.129 61.300 -0.331 0.000 1.043 163 I CB 1.799 39.446 38.000 -0.588 0.000 1.239 163 I HN 0.443 nan 8.210 nan 0.000 0.420 164 E N 3.991 124.035 120.200 -0.261 0.000 2.145 164 E HA 0.804 5.154 4.350 -0.000 0.000 0.270 164 E C -0.862 175.621 176.600 -0.195 0.000 0.906 164 E CA -0.739 55.573 56.400 -0.147 0.000 0.761 164 E CB 2.161 31.853 29.700 -0.013 0.000 1.116 164 E HN 0.706 nan 8.360 nan 0.000 0.408 165 A N 2.562 125.290 122.820 -0.152 0.000 2.384 165 A HA 0.754 5.074 4.320 -0.000 0.000 0.312 165 A C -0.918 176.685 177.584 0.032 0.000 1.113 165 A CA -0.643 51.358 52.037 -0.060 0.000 0.779 165 A CB 1.508 20.491 19.000 -0.028 0.000 1.307 165 A HN 0.382 nan 8.150 nan 0.000 0.436 166 V N 1.296 121.255 119.914 0.076 0.000 2.577 166 V HA 0.584 4.704 4.120 -0.000 0.000 0.303 166 V C -0.348 175.797 176.094 0.086 0.000 1.042 166 V CA -0.457 61.885 62.300 0.070 0.000 0.872 166 V CB 1.440 33.298 31.823 0.059 0.000 0.998 166 V HN 1.152 nan 8.190 nan 0.000 0.423 167 V N 0.552 120.509 119.914 0.072 0.000 2.815 167 V HA 0.717 4.837 4.120 -0.000 0.000 0.314 167 V C -0.665 175.456 176.094 0.045 0.000 1.064 167 V CA -0.652 61.689 62.300 0.069 0.000 0.952 167 V CB 2.177 34.041 31.823 0.068 0.000 1.020 167 V HN 0.790 nan 8.190 nan 0.000 0.439 168 D N 2.688 123.112 120.400 0.040 0.000 2.396 168 D HA 0.375 5.015 4.640 -0.000 0.000 0.225 168 D C 0.829 177.141 176.300 0.020 0.000 1.121 168 D CA -0.209 53.807 54.000 0.027 0.000 0.853 168 D CB 1.532 42.349 40.800 0.027 0.000 1.043 168 D HN 0.619 nan 8.370 nan 0.000 0.500 169 L N 3.050 124.280 121.223 0.012 0.000 2.093 169 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 169 L C 2.542 179.414 176.870 0.003 0.000 1.085 169 L CA 0.865 55.708 54.840 0.005 0.000 0.755 169 L CB -0.314 41.744 42.059 -0.002 0.000 0.904 169 L HN 0.488 nan 8.230 nan 0.000 0.435 170 Q N 0.477 120.280 119.800 0.004 0.000 2.016 170 Q HA -0.181 4.159 4.340 -0.000 0.000 0.200 170 Q C 1.671 177.675 176.000 0.006 0.000 0.978 170 Q CA 1.677 57.482 55.803 0.004 0.000 0.833 170 Q CB 0.080 28.820 28.738 0.005 0.000 0.895 170 Q HN 0.490 nan 8.270 nan 0.000 0.427 171 N N 0.837 119.543 118.700 0.009 0.000 2.461 171 N HA -0.072 4.668 4.740 -0.000 0.000 0.188 171 N C -0.206 175.311 175.510 0.011 0.000 1.134 171 N CA 0.640 53.697 53.050 0.010 0.000 0.878 171 N CB -0.107 38.388 38.487 0.013 0.000 0.972 171 N HN 0.342 nan 8.380 nan 0.000 0.456 172 N N 0.944 119.650 118.700 0.011 0.000 2.727 172 N HA -0.206 4.534 4.740 -0.000 0.000 0.249 172 N C -1.238 174.284 175.510 0.019 0.000 1.048 172 N CA 0.839 53.896 53.050 0.012 0.000 0.714 172 N CB -0.925 37.565 38.487 0.005 0.000 0.959 172 N HN 0.468 nan 8.380 nan 0.000 0.544 173 K N -1.021 119.395 120.400 0.027 0.000 2.435 173 K HA 0.597 4.917 4.320 -0.000 0.000 0.251 173 K C -0.762 175.872 176.600 0.056 0.000 0.954 173 K CA -1.291 55.017 56.287 0.036 0.000 0.820 173 K CB 1.652 34.171 32.500 0.031 0.000 1.292 173 K HN 0.008 nan 8.250 nan 0.000 0.436 174 L N 2.872 124.139 121.223 0.074 0.000 2.360 174 L HA 0.185 4.525 4.340 -0.000 0.000 0.276 174 L C 0.080 177.010 176.870 0.099 0.000 1.121 174 L CA 0.041 54.950 54.840 0.114 0.000 0.845 174 L CB 0.346 42.494 42.059 0.148 0.000 1.143 174 L HN 0.831 nan 8.230 nan 0.000 0.452 175 L N 3.170 124.454 121.223 0.102 0.000 2.470 175 L HA 0.304 4.644 4.340 -0.000 0.000 0.219 175 L C 0.391 177.322 176.870 0.103 0.000 1.071 175 L CA 0.458 55.348 54.840 0.083 0.000 0.850 175 L CB -0.089 42.008 42.059 0.064 0.000 1.040 175 L HN 0.809 nan 8.230 nan 0.000 0.475 176 S N -1.902 113.883 115.700 0.142 0.000 2.565 176 S HA 0.371 4.841 4.470 -0.000 0.000 0.274 176 S C -2.193 172.559 174.600 0.253 0.000 1.144 176 S CA -0.758 57.540 58.200 0.164 0.000 0.849 176 S CB 1.857 65.121 63.200 0.106 0.000 1.103 176 S HN 0.195 nan 8.310 nan 0.000 0.455 177 W N 2.834 124.159 121.300 0.040 0.000 2.802 177 W HA 0.463 5.123 4.660 -0.000 0.000 0.331 177 W C -1.793 174.742 176.519 0.028 0.000 1.021 177 W CA -0.260 57.110 57.345 0.042 0.000 1.259 177 W CB 1.771 31.257 29.460 0.043 0.000 1.323 177 W HN 0.815 nan 8.180 nan 0.000 0.432 178 Q N 6.162 125.940 119.800 -0.037 0.000 2.337 178 Q HA 0.323 4.663 4.340 -0.000 0.000 0.264 178 Q C -2.363 173.586 176.000 -0.085 0.000 1.007 178 Q CA -1.823 53.980 55.803 0.000 0.000 0.727 178 Q CB 2.631 31.374 28.738 0.008 0.000 1.256 178 Q HN 0.186 nan 8.270 nan 0.000 0.467 179 P HA 0.104 nan 4.420 nan 0.000 0.268 179 P C -0.392 176.867 177.300 -0.068 0.000 1.204 179 P CA 0.001 63.067 63.100 -0.057 0.000 0.768 179 P CB 0.654 32.358 31.700 0.006 0.000 0.842 180 I N 2.724 123.223 120.570 -0.118 0.000 2.359 180 I HA 0.236 4.406 4.170 -0.000 0.000 0.284 180 I C 0.593 176.623 176.117 -0.145 0.000 1.018 180 I CA -1.224 59.990 61.300 -0.143 0.000 1.173 180 I CB 0.787 38.627 38.000 -0.267 0.000 1.326 180 I HN 0.246 nan 8.210 nan 0.000 0.462 181 K N 5.950 126.300 120.400 -0.083 0.000 2.448 181 K HA 0.045 4.365 4.320 -0.000 0.000 0.278 181 K C 0.562 177.113 176.600 -0.083 0.000 1.009 181 K CA 0.831 57.080 56.287 -0.065 0.000 0.995 181 K CB 0.277 32.760 32.500 -0.029 0.000 0.917 181 K HN 0.550 nan 8.250 nan 0.000 0.481 182 D N 0.241 120.586 120.400 -0.091 0.000 2.837 182 D HA -0.229 4.411 4.640 -0.000 0.000 0.195 182 D C -0.544 175.693 176.300 -0.105 0.000 1.033 182 D CA 1.701 55.650 54.000 -0.085 0.000 1.021 182 D CB -1.330 39.455 40.800 -0.025 0.000 1.101 182 D HN 0.642 nan 8.370 nan 0.000 0.431 183 A N 0.767 123.462 122.820 -0.207 0.000 2.401 183 A HA 0.399 4.719 4.320 -0.000 0.000 0.259 183 A C 0.167 177.602 177.584 -0.248 0.000 1.103 183 A CA 0.027 51.902 52.037 -0.270 0.000 0.789 183 A CB 0.431 18.969 19.000 -0.770 0.000 1.035 183 A HN 0.238 nan 8.150 nan 0.000 0.491 184 H N 1.041 119.999 119.070 -0.186 0.000 2.467 184 H HA 0.419 4.975 4.556 -0.000 0.000 0.331 184 H C 0.853 176.123 175.328 -0.096 0.000 1.120 184 H CA 0.100 56.059 56.048 -0.149 0.000 1.270 184 H CB 1.702 31.392 29.762 -0.120 0.000 1.466 184 H HN 0.865 nan 8.280 nan 0.000 0.504 185 G N 2.099 110.894 108.800 -0.008 0.000 2.537 185 G HA2 0.311 4.271 3.960 -0.000 0.000 0.273 185 G HA3 0.311 4.271 3.960 -0.000 0.000 0.273 185 G C 0.618 175.521 174.900 0.006 0.000 1.189 185 G CA -0.730 44.379 45.100 0.015 0.000 0.881 185 G HN 0.651 nan 8.290 nan 0.000 0.535 186 M N 0.074 119.674 119.600 0.000 0.000 2.113 186 M HA 0.418 4.898 4.480 -0.000 0.000 0.288 186 M C -0.349 175.892 176.300 -0.098 0.000 1.225 186 M CA -0.306 54.952 55.300 -0.069 0.000 1.148 186 M CB 0.428 32.997 32.600 -0.051 0.000 1.388 186 M HN 0.106 nan 8.290 nan 0.000 0.469 187 V N 2.687 122.491 119.914 -0.182 0.000 2.455 187 V HA 0.291 4.411 4.120 -0.000 0.000 0.273 187 V C 0.310 176.406 176.094 0.002 0.000 1.045 187 V CA -0.327 61.883 62.300 -0.151 0.000 0.976 187 V CB 0.345 31.971 31.823 -0.328 0.000 0.993 187 V HN 0.637 nan 8.190 nan 0.000 0.475 188 L N 4.689 125.914 121.223 0.004 0.000 2.352 188 L HA 0.442 4.782 4.340 -0.000 0.000 0.269 188 L C 1.284 178.121 176.870 -0.056 0.000 1.034 188 L CA -0.775 54.035 54.840 -0.050 0.000 0.806 188 L CB 1.657 43.641 42.059 -0.126 0.000 1.244 188 L HN 0.521 nan 8.230 nan 0.000 0.447 189 L N 0.851 121.931 121.223 -0.240 0.000 2.043 189 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 189 L C 2.155 178.923 176.870 -0.170 0.000 1.075 189 L CA 1.609 56.330 54.840 -0.199 0.000 0.752 189 L CB -0.595 41.338 42.059 -0.210 0.000 0.891 189 L HN 0.856 nan 8.230 nan 0.000 0.432 190 D N -0.708 119.402 120.400 -0.484 0.000 2.263 190 D HA -0.226 4.414 4.640 -0.000 0.000 0.208 190 D C 1.395 177.681 176.300 -0.023 0.000 0.971 190 D CA 1.110 55.013 54.000 -0.162 0.000 0.867 190 D CB -0.466 40.283 40.800 -0.085 0.000 0.929 190 D HN 0.316 nan 8.370 nan 0.000 0.492 191 D N -0.057 120.335 120.400 -0.014 0.000 2.178 191 D HA -0.118 4.522 4.640 -0.000 0.000 0.201 191 D C 1.743 178.049 176.300 0.010 0.000 0.980 191 D CA 0.576 54.568 54.000 -0.013 0.000 0.842 191 D CB -0.461 40.304 40.800 -0.057 0.000 0.948 191 D HN 0.259 nan 8.370 nan 0.000 0.472 192 F N 1.299 121.225 119.950 -0.041 0.000 2.186 192 F HA -0.055 4.472 4.527 -0.000 0.000 0.299 192 F C 2.468 178.251 175.800 -0.028 0.000 1.090 192 F CA 0.823 58.820 58.000 -0.006 0.000 1.307 192 F CB -0.548 38.468 39.000 0.027 0.000 1.019 192 F HN -0.075 nan 8.300 nan 0.000 0.489 193 A N -1.100 121.813 122.820 0.154 0.000 1.935 193 A HA -0.059 4.261 4.320 -0.000 0.000 0.214 193 A C 2.351 179.945 177.584 0.017 0.000 1.178 193 A CA 1.432 53.512 52.037 0.072 0.000 0.640 193 A CB -0.893 18.148 19.000 0.067 0.000 0.825 193 A HN 0.255 nan 8.150 nan 0.000 0.447 194 S N -0.097 115.604 115.700 0.003 0.000 2.356 194 S HA -0.154 4.316 4.470 -0.000 0.000 0.223 194 S C 1.921 176.484 174.600 -0.062 0.000 1.032 194 S CA 1.470 59.654 58.200 -0.028 0.000 1.005 194 S CB -0.572 62.606 63.200 -0.036 0.000 0.867 194 S HN 0.322 nan 8.310 nan 0.000 0.449 195 V N 1.849 121.714 119.914 -0.083 0.000 2.250 195 V HA -0.278 3.842 4.120 -0.000 0.000 0.250 195 V C 2.675 178.684 176.094 -0.141 0.000 1.060 195 V CA 2.310 64.533 62.300 -0.130 0.000 1.030 195 V CB -0.757 30.969 31.823 -0.162 0.000 0.643 195 V HN 0.408 nan 8.190 nan 0.000 0.445 196 Q N 0.449 120.188 119.800 -0.101 0.000 2.050 196 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 196 Q C 2.122 178.061 176.000 -0.100 0.000 0.980 196 Q CA 2.281 58.022 55.803 -0.105 0.000 0.840 196 Q CB -0.658 28.046 28.738 -0.056 0.000 0.898 196 Q HN 0.700 nan 8.270 nan 0.000 0.424 197 N N -0.436 118.223 118.700 -0.068 0.000 2.120 197 N HA -0.146 4.594 4.740 -0.000 0.000 0.188 197 N C 1.778 177.244 175.510 -0.074 0.000 1.024 197 N CA 1.544 54.561 53.050 -0.055 0.000 0.852 197 N CB -0.097 38.372 38.487 -0.031 0.000 1.003 197 N HN 0.366 nan 8.380 nan 0.000 0.424 198 I N 0.431 120.944 120.570 -0.095 0.000 2.315 198 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 198 I C 1.918 177.940 176.117 -0.158 0.000 1.117 198 I CA 0.613 61.848 61.300 -0.108 0.000 1.404 198 I CB -0.027 37.907 38.000 -0.111 0.000 1.071 198 I HN 0.114 nan 8.210 nan 0.000 0.419 199 I N 0.677 121.102 120.570 -0.241 0.000 2.333 199 I HA -0.218 3.952 4.170 -0.000 0.000 0.246 199 I C 2.037 178.026 176.117 -0.212 0.000 1.106 199 I CA 1.541 62.594 61.300 -0.412 0.000 1.411 199 I CB -0.684 36.885 38.000 -0.718 0.000 1.082 199 I HN 0.184 nan 8.210 nan 0.000 0.420 200 N N 0.468 119.091 118.700 -0.130 0.000 2.149 200 N HA -0.193 4.547 4.740 -0.000 0.000 0.188 200 N C 0.941 176.441 175.510 -0.018 0.000 1.019 200 N CA 1.367 54.388 53.050 -0.048 0.000 0.857 200 N CB -0.298 38.166 38.487 -0.040 0.000 0.997 200 N HN 0.520 nan 8.380 nan 0.000 0.426 201 N N -0.212 118.470 118.700 -0.030 0.000 2.336 201 N HA -0.006 4.734 4.740 -0.000 0.000 0.189 201 N C -0.332 175.177 175.510 -0.001 0.000 1.113 201 N CA -0.239 52.804 53.050 -0.012 0.000 0.858 201 N CB 0.507 38.983 38.487 -0.018 0.000 0.970 201 N HN -0.025 nan 8.380 nan 0.000 0.471 202 S N 1.496 117.201 115.700 0.008 0.000 2.422 202 S HA 0.078 4.547 4.470 -0.000 0.000 0.298 202 S C 1.257 175.906 174.600 0.083 0.000 1.118 202 S CA -0.817 57.406 58.200 0.040 0.000 1.083 202 S CB 0.845 64.071 63.200 0.043 0.000 0.971 202 S HN 0.141 nan 8.310 nan 0.000 0.478 203 E N 5.425 125.657 120.200 0.053 0.000 2.106 203 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 203 E C 1.186 177.817 176.600 0.052 0.000 0.984 203 E CA 1.584 58.011 56.400 0.045 0.000 0.806 203 E CB -0.880 28.834 29.700 0.024 0.000 0.750 203 E HN 0.902 nan 8.360 nan 0.000 0.458 204 E N 0.544 120.780 120.200 0.059 0.000 2.051 204 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 204 E C 1.947 178.586 176.600 0.064 0.000 0.991 204 E CA 1.196 57.626 56.400 0.050 0.000 0.799 204 E CB -0.631 29.096 29.700 0.046 0.000 0.748 204 E HN 0.270 nan 8.360 nan 0.000 0.449 205 F N 1.641 121.576 119.950 -0.026 0.000 2.134 205 F HA -0.132 4.395 4.527 -0.000 0.000 0.299 205 F C 2.314 178.099 175.800 -0.026 0.000 1.097 205 F CA 1.384 59.367 58.000 -0.030 0.000 1.264 205 F CB -0.304 38.675 39.000 -0.036 0.000 1.001 205 F HN 0.033 nan 8.300 nan 0.000 0.479 206 A N 0.160 123.063 122.820 0.138 0.000 1.978 206 A HA -0.094 4.226 4.320 -0.000 0.000 0.220 206 A C 2.336 179.888 177.584 -0.054 0.000 1.170 206 A CA 1.722 53.786 52.037 0.045 0.000 0.636 206 A CB -1.441 17.598 19.000 0.065 0.000 0.810 206 A HN 0.492 nan 8.150 nan 0.000 0.448 207 A N -0.341 122.450 122.820 -0.049 0.000 1.929 207 A HA 0.284 4.604 4.320 -0.000 0.000 0.216 207 A C 2.471 179.987 177.584 -0.114 0.000 1.176 207 A CA 1.676 53.676 52.037 -0.061 0.000 0.628 207 A CB -0.889 18.091 19.000 -0.033 0.000 0.816 207 A HN 0.979 nan 8.150 nan 0.000 0.444 208 A N -0.536 122.175 122.820 -0.181 0.000 1.902 208 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 208 A C 2.217 179.632 177.584 -0.282 0.000 1.181 208 A CA 1.718 53.612 52.037 -0.239 0.000 0.623 208 A CB -0.890 17.909 19.000 -0.336 0.000 0.818 208 A HN 0.343 nan 8.150 nan 0.000 0.443 209 V N 0.299 119.986 119.914 -0.380 0.000 2.343 209 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 209 V C 2.605 178.613 176.094 -0.144 0.000 1.051 209 V CA 2.538 64.663 62.300 -0.291 0.000 1.036 209 V CB -0.573 31.083 31.823 -0.278 0.000 0.654 209 V HN 0.742 nan 8.190 nan 0.000 0.451 210 K N 1.083 121.420 120.400 -0.106 0.000 2.063 210 K HA -0.249 4.071 4.320 -0.000 0.000 0.208 210 K C 2.146 178.712 176.600 -0.057 0.000 1.048 210 K CA 2.091 58.341 56.287 -0.062 0.000 0.928 210 K CB -0.416 32.057 32.500 -0.045 0.000 0.713 210 K HN 0.417 nan 8.250 nan 0.000 0.442 211 K N 0.457 120.814 120.400 -0.071 0.000 2.103 211 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 211 K C 1.555 178.125 176.600 -0.051 0.000 1.048 211 K CA 1.496 57.749 56.287 -0.057 0.000 0.930 211 K CB -0.055 32.406 32.500 -0.065 0.000 0.716 211 K HN 0.105 nan 8.250 nan 0.000 0.444 212 R N -0.731 119.728 120.500 -0.067 0.000 2.328 212 R HA 0.020 4.360 4.340 -0.000 0.000 0.206 212 R C 0.858 177.140 176.300 -0.029 0.000 0.990 212 R CA 0.522 56.592 56.100 -0.050 0.000 1.085 212 R CB 0.117 30.375 30.300 -0.070 0.000 0.998 212 R HN 0.626 nan 8.270 nan 0.000 0.484 213 G N 0.542 109.327 108.800 -0.026 0.000 2.195 213 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.246 213 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.246 213 G C 0.032 174.927 174.900 -0.009 0.000 0.984 213 G CA -0.417 44.676 45.100 -0.011 0.000 0.633 213 G HN 0.164 nan 8.290 nan 0.000 0.525 214 I N 2.586 123.146 120.570 -0.018 0.000 2.379 214 I HA 0.351 4.521 4.170 -0.000 0.000 0.290 214 I C 1.880 177.990 176.117 -0.012 0.000 1.063 214 I CA 0.909 62.203 61.300 -0.011 0.000 1.351 214 I CB 1.480 39.471 38.000 -0.014 0.000 1.410 214 I HN 0.269 nan 8.210 nan 0.000 0.505 215 T N 0.095 114.646 114.554 -0.005 0.000 3.054 215 T HA 0.042 4.392 4.350 -0.000 0.000 0.259 215 T C 0.627 175.326 174.700 -0.001 0.000 1.092 215 T CA 0.281 62.379 62.100 -0.004 0.000 1.121 215 T CB 0.020 68.887 68.868 -0.002 0.000 0.912 215 T HN 0.474 nan 8.240 nan 0.000 0.489 216 D N 0.842 121.244 120.400 0.002 0.000 2.446 216 D HA 0.588 5.228 4.640 -0.000 0.000 0.251 216 D C 1.002 177.311 176.300 0.014 0.000 1.137 216 D CA -0.418 53.586 54.000 0.006 0.000 0.890 216 D CB 1.241 42.044 40.800 0.004 0.000 1.071 216 D HN 0.157 nan 8.370 nan 0.000 0.528 217 A N 3.900 126.734 122.820 0.022 0.000 2.131 217 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 217 A C 1.848 179.459 177.584 0.045 0.000 1.158 217 A CA 1.143 53.208 52.037 0.046 0.000 0.665 217 A CB -0.168 18.873 19.000 0.067 0.000 0.795 217 A HN 0.527 nan 8.150 nan 0.000 0.460 218 K N -0.413 120.002 120.400 0.024 0.000 2.365 218 K HA -0.057 4.263 4.320 -0.000 0.000 0.199 218 K C 1.031 177.634 176.600 0.006 0.000 1.045 218 K CA 1.128 57.423 56.287 0.013 0.000 0.962 218 K CB -0.006 32.499 32.500 0.007 0.000 0.759 218 K HN 0.444 nan 8.250 nan 0.000 0.469 219 K N 0.507 120.913 120.400 0.009 0.000 2.417 219 K HA 0.102 4.422 4.320 -0.000 0.000 0.196 219 K C -0.363 176.242 176.600 0.008 0.000 1.023 219 K CA -0.082 56.206 56.287 0.002 0.000 1.122 219 K CB 0.818 33.319 32.500 0.001 0.000 0.850 219 K HN -0.147 nan 8.250 nan 0.000 0.521 220 V N 2.938 122.866 119.914 0.023 0.000 2.455 220 V HA 0.113 4.233 4.120 -0.000 0.000 0.273 220 V C -0.026 176.054 176.094 -0.023 0.000 1.045 220 V CA -0.385 61.940 62.300 0.041 0.000 0.976 220 V CB 0.761 32.658 31.823 0.124 0.000 0.993 220 V HN 0.165 nan 8.190 nan 0.000 0.475 221 I N 5.070 125.598 120.570 -0.069 0.000 2.354 221 I HA 0.371 4.541 4.170 -0.000 0.000 0.292 221 I C 0.680 176.698 176.117 -0.166 0.000 0.989 221 I CA -0.097 61.061 61.300 -0.237 0.000 1.188 221 I CB 1.654 39.282 38.000 -0.620 0.000 1.342 221 I HN 0.718 nan 8.210 nan 0.000 0.457 222 T N 1.709 116.166 114.554 -0.162 0.000 2.912 222 T HA 0.591 4.941 4.350 -0.000 0.000 0.280 222 T C 0.057 174.721 174.700 -0.060 0.000 0.989 222 T CA -0.640 61.401 62.100 -0.098 0.000 0.995 222 T CB 2.113 70.895 68.868 -0.143 0.000 1.077 222 T HN 0.606 nan 8.240 nan 0.000 0.531 223 T N 2.439 117.000 114.554 0.011 0.000 2.991 223 T HA 0.539 4.889 4.350 -0.000 0.000 0.303 223 T C -3.121 171.575 174.700 -0.006 0.000 1.015 223 T CA -1.570 60.583 62.100 0.089 0.000 1.007 223 T CB 1.662 70.700 68.868 0.283 0.000 1.034 223 T HN 0.613 nan 8.240 nan 0.000 0.446 224 P HA 0.547 nan 4.420 nan 0.000 0.292 224 P C -1.257 175.999 177.300 -0.073 0.000 1.287 224 P CA -0.603 62.368 63.100 -0.215 0.000 0.800 224 P CB 1.183 32.573 31.700 -0.516 0.000 0.945 225 L N 2.436 123.627 121.223 -0.054 0.000 2.401 225 L HA 0.444 4.784 4.340 -0.000 0.000 0.266 225 L C 0.865 177.709 176.870 -0.043 0.000 0.991 225 L CA -0.688 54.142 54.840 -0.017 0.000 0.818 225 L CB 2.162 44.239 42.059 0.031 0.000 1.321 225 L HN 0.332 nan 8.230 nan 0.000 0.413 226 T N -1.412 113.118 114.554 -0.040 0.000 2.926 226 T HA 0.165 4.515 4.350 -0.000 0.000 0.307 226 T C 1.087 175.781 174.700 -0.009 0.000 1.059 226 T CA -0.351 61.705 62.100 -0.073 0.000 1.122 226 T CB 1.332 70.148 68.868 -0.087 0.000 0.972 226 T HN 0.512 nan 8.240 nan 0.000 0.545 227 V N -0.490 119.383 119.914 -0.068 0.000 3.506 227 V HA 0.503 4.622 4.120 -0.000 0.000 0.263 227 V C 1.332 177.481 176.094 0.091 0.000 1.203 227 V CA 0.687 62.945 62.300 -0.071 0.000 1.133 227 V CB -1.662 30.055 31.823 -0.177 0.000 0.802 227 V HN 1.631 nan 8.190 nan 0.000 0.459 228 G N 0.316 109.131 108.800 0.026 0.000 2.562 228 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.250 228 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.250 228 G C -0.641 174.229 174.900 -0.050 0.000 1.269 228 G CA 0.491 45.583 45.100 -0.013 0.000 0.919 228 G HN 1.564 nan 8.290 nan 0.000 0.574 229 Y N -0.756 119.266 120.300 -0.463 0.000 2.399 229 Y HA 0.629 5.179 4.550 -0.000 0.000 0.327 229 Y C -0.705 174.594 175.900 -1.002 0.000 1.111 229 Y CA -1.514 56.265 58.100 -0.535 0.000 1.047 229 Y CB 1.144 39.317 38.460 -0.478 0.000 1.259 229 Y HN 0.576 nan 8.280 nan 0.000 0.434 230 F N 4.003 123.368 119.950 -0.976 0.000 2.810 230 F HA 0.234 4.761 4.527 -0.000 0.000 0.353 230 F C 0.520 175.628 175.800 -1.153 0.000 1.227 230 F CA -0.619 56.832 58.000 -0.915 0.000 1.210 230 F CB 0.439 39.282 39.000 -0.260 0.000 1.039 230 F HN 0.585 nan 8.300 nan 0.000 0.509 231 D N 1.253 120.501 120.400 -1.921 0.000 2.811 231 D HA -0.212 4.428 4.640 -0.000 0.000 0.231 231 D C 1.462 177.506 176.300 -0.427 0.000 1.157 231 D CA 1.593 54.938 54.000 -1.091 0.000 0.716 231 D CB -0.906 39.584 40.800 -0.517 0.000 1.077 231 D HN 0.784 nan 8.370 nan 0.000 0.428 232 G N -0.653 107.922 108.800 -0.375 0.000 2.199 232 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.254 232 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.254 232 G C 1.145 175.990 174.900 -0.092 0.000 0.982 232 G CA 0.596 45.608 45.100 -0.148 0.000 0.632 232 G HN 0.451 nan 8.290 nan 0.000 0.529 233 K N 0.998 121.347 120.400 -0.084 0.000 2.442 233 K HA -0.001 4.319 4.320 -0.000 0.000 0.198 233 K C 1.651 178.193 176.600 -0.097 0.000 1.042 233 K CA 1.484 57.732 56.287 -0.065 0.000 0.958 233 K CB -0.104 32.369 32.500 -0.044 0.000 0.766 233 K HN 0.719 nan 8.250 nan 0.000 0.474 234 D N -0.532 119.835 120.400 -0.056 0.000 2.339 234 D HA 0.056 4.696 4.640 -0.000 0.000 0.217 234 D C 1.020 177.301 176.300 -0.032 0.000 1.050 234 D CA 0.460 54.433 54.000 -0.046 0.000 0.856 234 D CB -0.071 40.760 40.800 0.052 0.000 0.922 234 D HN 0.152 nan 8.370 nan 0.000 0.518 235 G N 0.460 109.236 108.800 -0.040 0.000 2.176 235 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.252 235 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.252 235 G C -0.174 174.707 174.900 -0.031 0.000 1.024 235 G CA 0.328 45.407 45.100 -0.035 0.000 0.755 235 G HN 0.412 nan 8.290 nan 0.000 0.507 236 L N -0.061 121.147 121.223 -0.026 0.000 2.317 236 L HA 0.479 4.819 4.340 -0.000 0.000 0.281 236 L C 0.854 177.720 176.870 -0.007 0.000 1.024 236 L CA -1.094 53.731 54.840 -0.024 0.000 0.810 236 L CB 1.723 43.763 42.059 -0.032 0.000 1.240 236 L HN 0.209 nan 8.230 nan 0.000 0.427 237 K N 2.100 122.497 120.400 -0.004 0.000 2.412 237 K HA -0.034 4.286 4.320 -0.000 0.000 0.281 237 K C 0.610 177.232 176.600 0.036 0.000 1.027 237 K CA -0.164 56.130 56.287 0.011 0.000 0.989 237 K CB 1.081 33.581 32.500 0.001 0.000 0.935 237 K HN 0.525 nan 8.250 nan 0.000 0.475 238 Q N 2.389 122.225 119.800 0.059 0.000 2.297 238 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 238 Q C 1.119 177.205 176.000 0.144 0.000 0.962 238 Q CA 1.890 57.752 55.803 0.098 0.000 0.879 238 Q CB 0.078 28.873 28.738 0.095 0.000 0.947 238 Q HN 0.840 nan 8.270 nan 0.000 0.462 239 D N -0.860 119.576 120.400 0.059 0.000 2.333 239 D HA 0.029 4.669 4.640 -0.000 0.000 0.208 239 D C -0.130 176.136 176.300 -0.057 0.000 0.984 239 D CA 0.450 54.440 54.000 -0.017 0.000 0.873 239 D CB -0.065 40.716 40.800 -0.031 0.000 0.935 239 D HN 0.179 nan 8.370 nan 0.000 0.521 240 A N 0.877 123.702 122.820 0.008 0.000 2.354 240 A HA 0.377 4.697 4.320 -0.000 0.000 0.269 240 A C 0.322 177.922 177.584 0.027 0.000 1.109 240 A CA -0.556 51.471 52.037 -0.017 0.000 0.800 240 A CB 0.245 19.237 19.000 -0.012 0.000 1.045 240 A HN 0.212 nan 8.150 nan 0.000 0.489 241 R N 2.783 123.255 120.500 -0.047 0.000 2.248 241 R HA 0.468 4.808 4.340 -0.000 0.000 0.337 241 R C -1.152 175.126 176.300 -0.037 0.000 1.106 241 R CA 0.026 56.111 56.100 -0.024 0.000 0.959 241 R CB -0.288 29.954 30.300 -0.097 0.000 1.075 241 R HN 0.712 nan 8.270 nan 0.000 0.480 242 L N 5.001 126.206 121.223 -0.030 0.000 2.319 242 L HA 0.641 4.981 4.340 -0.000 0.000 0.267 242 L C -0.581 176.221 176.870 -0.114 0.000 1.011 242 L CA -1.209 53.584 54.840 -0.079 0.000 0.818 242 L CB 1.895 43.904 42.059 -0.084 0.000 1.316 242 L HN 0.478 nan 8.230 nan 0.000 0.432 243 L N 1.072 122.211 121.223 -0.140 0.000 2.434 243 L HA 0.500 4.840 4.340 -0.000 0.000 0.260 243 L C -0.820 175.936 176.870 -0.190 0.000 0.983 243 L CA -0.706 54.036 54.840 -0.163 0.000 0.820 243 L CB 2.800 44.757 42.059 -0.170 0.000 1.361 243 L HN 0.496 nan 8.230 nan 0.000 0.410 244 K N 0.906 121.174 120.400 -0.219 0.000 2.118 244 K HA 0.749 5.069 4.320 -0.000 0.000 0.254 244 K C -1.274 175.233 176.600 -0.155 0.000 0.961 244 K CA -0.618 55.507 56.287 -0.271 0.000 0.876 244 K CB 2.228 34.380 32.500 -0.579 0.000 1.077 244 K HN 0.239 nan 8.250 nan 0.000 0.440 245 V N 4.036 123.872 119.914 -0.130 0.000 2.531 245 V HA 0.406 4.526 4.120 -0.000 0.000 0.301 245 V C -0.533 175.535 176.094 -0.044 0.000 1.034 245 V CA -0.928 61.316 62.300 -0.094 0.000 0.865 245 V CB 1.504 33.236 31.823 -0.152 0.000 0.995 245 V HN 0.616 nan 8.190 nan 0.000 0.424 246 I N 3.039 123.589 120.570 -0.032 0.000 2.441 246 I HA 0.558 4.728 4.170 -0.000 0.000 0.295 246 I C 0.207 176.259 176.117 -0.109 0.000 0.994 246 I CA 0.085 61.331 61.300 -0.091 0.000 1.144 246 I CB 2.141 40.069 38.000 -0.121 0.000 1.314 246 I HN 0.603 nan 8.210 nan 0.000 0.445 247 S N 5.274 120.853 115.700 -0.201 0.000 2.532 247 S HA 0.766 5.236 4.470 -0.000 0.000 0.301 247 S C -1.108 173.243 174.600 -0.416 0.000 1.083 247 S CA -0.441 57.669 58.200 -0.150 0.000 1.025 247 S CB 1.889 65.149 63.200 0.101 0.000 1.056 247 S HN 0.353 nan 8.310 nan 0.000 0.494 248 Y N 0.389 120.702 120.300 0.022 0.000 2.634 248 Y HA 0.659 5.209 4.550 -0.000 0.000 0.340 248 Y C -0.684 175.258 175.900 0.070 0.000 1.058 248 Y CA -1.139 57.016 58.100 0.092 0.000 1.081 248 Y CB 0.945 39.496 38.460 0.152 0.000 1.295 248 Y HN 0.448 nan 8.280 nan 0.000 0.487 249 L N 2.299 123.702 121.223 0.300 0.000 2.287 249 L HA 0.414 4.754 4.340 -0.000 0.000 0.287 249 L C -0.789 176.155 176.870 0.124 0.000 1.022 249 L CA -0.499 54.436 54.840 0.158 0.000 0.814 249 L CB 0.751 42.873 42.059 0.105 0.000 1.217 249 L HN 0.573 nan 8.230 nan 0.000 0.420 250 D N 3.381 123.816 120.400 0.058 0.000 2.317 250 D HA 0.155 4.795 4.640 -0.000 0.000 0.252 250 D C 0.587 176.858 176.300 -0.049 0.000 1.174 250 D CA 0.004 54.029 54.000 0.042 0.000 0.866 250 D CB 1.320 42.134 40.800 0.024 0.000 1.127 250 D HN 0.389 nan 8.370 nan 0.000 0.467 251 V N 1.452 121.284 119.914 -0.137 0.000 3.319 251 V HA 0.471 4.591 4.120 -0.000 0.000 0.317 251 V C 1.192 177.239 176.094 -0.077 0.000 1.411 251 V CA 0.324 62.525 62.300 -0.165 0.000 1.112 251 V CB -0.026 31.599 31.823 -0.329 0.000 1.031 251 V HN 0.718 nan 8.190 nan 0.000 0.448 252 G N 2.168 110.949 108.800 -0.031 0.000 2.143 252 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.249 252 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.249 252 G C 0.289 175.181 174.900 -0.012 0.000 0.981 252 G CA 0.555 45.646 45.100 -0.014 0.000 0.665 252 G HN 0.836 nan 8.290 nan 0.000 0.528 253 D N -0.184 120.220 120.400 0.007 0.000 2.339 253 D HA 0.372 5.012 4.640 -0.000 0.000 0.217 253 D C 1.799 178.049 176.300 -0.082 0.000 1.050 253 D CA 0.512 54.508 54.000 -0.007 0.000 0.856 253 D CB -0.585 40.261 40.800 0.075 0.000 0.922 253 D HN 1.538 nan 8.370 nan 0.000 0.518 254 G N 0.809 109.576 108.800 -0.055 0.000 2.155 254 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.257 254 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.257 254 G C 0.164 174.996 174.900 -0.114 0.000 0.983 254 G CA 0.250 45.282 45.100 -0.112 0.000 0.676 254 G HN 0.582 nan 8.290 nan 0.000 0.528 255 N N -0.162 118.551 118.700 0.022 0.000 2.752 255 N HA 0.346 5.086 4.740 -0.000 0.000 0.260 255 N C 1.030 176.631 175.510 0.152 0.000 1.562 255 N CA -0.446 52.678 53.050 0.123 0.000 0.788 255 N CB -0.095 38.474 38.487 0.137 0.000 1.192 255 N HN 0.360 nan 8.380 nan 0.000 0.503 256 Y N -0.449 119.896 120.300 0.076 0.000 2.384 256 Y HA 0.006 4.556 4.550 -0.000 0.000 0.289 256 Y C 1.107 176.964 175.900 -0.073 0.000 1.152 256 Y CA 0.646 58.776 58.100 0.049 0.000 1.258 256 Y CB -0.742 37.616 38.460 -0.170 0.000 0.979 256 Y HN 0.288 nan 8.280 nan 0.000 0.549 257 W N 1.067 122.160 121.300 -0.345 0.000 2.421 257 W HA 0.018 4.678 4.660 -0.000 0.000 0.270 257 W C 2.299 178.914 176.519 0.161 0.000 1.233 257 W CA 1.263 58.413 57.345 -0.326 0.000 1.226 257 W CB -0.244 29.025 29.460 -0.319 0.000 1.121 257 W HN 0.194 nan 8.180 nan 0.000 0.579 258 A N -0.831 122.141 122.820 0.254 0.000 2.251 258 A HA 0.028 4.348 4.320 -0.000 0.000 0.209 258 A C 0.249 177.645 177.584 -0.312 0.000 1.187 258 A CA 0.457 52.585 52.037 0.152 0.000 0.823 258 A CB -0.609 18.336 19.000 -0.093 0.000 0.846 258 A HN 0.315 nan 8.150 nan 0.000 0.486 259 H N 0.409 119.758 119.070 0.465 0.000 2.379 259 H HA 0.227 4.783 4.556 -0.000 0.000 0.229 259 H C -2.961 172.590 175.328 0.371 0.000 1.423 259 H CA -1.972 54.292 56.048 0.360 0.000 1.375 259 H CB 0.066 29.995 29.762 0.278 0.000 1.592 259 H HN 0.312 nan 8.280 nan 0.000 0.507 260 P HA 0.099 nan 4.420 nan 0.000 0.271 260 P C 0.372 177.698 177.300 0.044 0.000 1.218 260 P CA -0.123 63.050 63.100 0.122 0.000 0.780 260 P CB 1.628 33.424 31.700 0.160 0.000 0.901 261 I N 1.531 122.046 120.570 -0.092 0.000 2.442 261 I HA 0.185 4.355 4.170 -0.000 0.000 0.279 261 I C 0.842 176.931 176.117 -0.048 0.000 1.081 261 I CA -0.632 60.643 61.300 -0.040 0.000 1.197 261 I CB 0.356 38.324 38.000 -0.053 0.000 1.394 261 I HN 0.246 nan 8.210 nan 0.000 0.488 262 E N 5.395 125.604 120.200 0.015 0.000 2.392 262 E HA 0.077 4.427 4.350 -0.000 0.000 0.264 262 E C 0.330 176.957 176.600 0.045 0.000 1.024 262 E CA 0.563 56.998 56.400 0.059 0.000 0.903 262 E CB 0.324 30.094 29.700 0.117 0.000 0.963 262 E HN 0.429 nan 8.360 nan 0.000 0.432 263 N N 1.676 120.419 118.700 0.071 0.000 2.780 263 N HA -0.223 4.517 4.740 -0.000 0.000 0.248 263 N C -1.235 174.287 175.510 0.019 0.000 1.102 263 N CA 0.626 53.713 53.050 0.062 0.000 0.697 263 N CB -1.336 37.188 38.487 0.063 0.000 1.028 263 N HN 0.293 nan 8.380 nan 0.000 0.554 264 L N -0.379 120.843 121.223 -0.002 0.000 2.446 264 L HA 0.596 4.936 4.340 -0.000 0.000 0.268 264 L C -1.212 175.667 176.870 0.014 0.000 0.975 264 L CA -0.708 54.120 54.840 -0.020 0.000 0.848 264 L CB 2.051 44.062 42.059 -0.081 0.000 1.225 264 L HN -0.117 nan 8.230 nan 0.000 0.410 265 V N 4.068 124.000 119.914 0.031 0.000 2.638 265 V HA 0.935 5.055 4.120 -0.000 0.000 0.306 265 V C 0.027 176.141 176.094 0.033 0.000 1.052 265 V CA -0.238 62.077 62.300 0.025 0.000 0.885 265 V CB 1.581 33.399 31.823 -0.007 0.000 0.999 265 V HN 0.942 nan 8.190 nan 0.000 0.424 266 A N 3.961 126.803 122.820 0.036 0.000 2.340 266 A HA 0.922 5.242 4.320 -0.000 0.000 0.331 266 A C -0.866 176.662 177.584 -0.094 0.000 1.140 266 A CA -0.628 51.417 52.037 0.014 0.000 0.801 266 A CB 1.758 20.777 19.000 0.033 0.000 1.234 266 A HN 0.709 nan 8.150 nan 0.000 0.469 267 V N 2.249 122.103 119.914 -0.099 0.000 2.384 267 V HA 0.450 4.570 4.120 -0.000 0.000 0.287 267 V C -0.383 175.644 176.094 -0.113 0.000 1.020 267 V CA -0.460 61.758 62.300 -0.136 0.000 0.850 267 V CB 1.353 33.096 31.823 -0.133 0.000 0.987 267 V HN 0.644 nan 8.190 nan 0.000 0.436 268 V N 3.624 123.461 119.914 -0.128 0.000 2.513 268 V HA 0.450 4.570 4.120 -0.000 0.000 0.299 268 V C -0.394 175.640 176.094 -0.100 0.000 1.035 268 V CA -0.542 61.690 62.300 -0.114 0.000 0.889 268 V CB 2.055 33.799 31.823 -0.133 0.000 0.988 268 V HN 0.893 nan 8.190 nan 0.000 0.440 269 D N 3.747 124.098 120.400 -0.082 0.000 2.329 269 D HA 0.317 4.957 4.640 -0.000 0.000 0.232 269 D C 0.823 177.080 176.300 -0.071 0.000 1.088 269 D CA -0.279 53.678 54.000 -0.071 0.000 0.835 269 D CB 1.755 42.520 40.800 -0.057 0.000 1.078 269 D HN 0.411 nan 8.370 nan 0.000 0.495 270 L N 2.774 123.952 121.223 -0.076 0.000 2.201 270 L HA -0.052 4.288 4.340 -0.000 0.000 0.212 270 L C 2.059 178.892 176.870 -0.061 0.000 1.105 270 L CA 0.750 55.547 54.840 -0.072 0.000 0.775 270 L CB 0.022 42.034 42.059 -0.079 0.000 0.913 270 L HN 0.462 nan 8.230 nan 0.000 0.440 271 E N -0.332 119.830 120.200 -0.064 0.000 2.170 271 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 271 E C 1.951 178.527 176.600 -0.040 0.000 0.981 271 E CA 0.566 56.934 56.400 -0.054 0.000 0.830 271 E CB 0.173 29.834 29.700 -0.065 0.000 0.775 271 E HN 0.573 nan 8.360 nan 0.000 0.470 272 Q N 0.340 120.115 119.800 -0.042 0.000 2.398 272 Q HA 0.023 4.363 4.340 -0.000 0.000 0.204 272 Q C -0.035 175.944 176.000 -0.034 0.000 0.932 272 Q CA 0.114 55.897 55.803 -0.034 0.000 0.916 272 Q CB 0.245 28.962 28.738 -0.034 0.000 1.024 272 Q HN 0.002 nan 8.270 nan 0.000 0.504 273 K N 1.356 121.731 120.400 -0.042 0.000 3.162 273 K HA -0.189 4.131 4.320 -0.000 0.000 0.268 273 K C -0.921 175.651 176.600 -0.046 0.000 1.062 273 K CA 0.796 57.057 56.287 -0.043 0.000 0.769 273 K CB -0.957 31.524 32.500 -0.032 0.000 1.274 273 K HN 0.241 nan 8.250 nan 0.000 0.478 274 K N -0.553 119.816 120.400 -0.053 0.000 2.575 274 K HA 0.335 4.655 4.320 -0.000 0.000 0.279 274 K C -0.820 175.744 176.600 -0.060 0.000 0.969 274 K CA -1.000 55.257 56.287 -0.051 0.000 0.868 274 K CB 1.186 33.665 32.500 -0.036 0.000 1.457 274 K HN 0.029 nan 8.250 nan 0.000 0.426 275 I N 3.076 123.612 120.570 -0.057 0.000 2.452 275 I HA -0.005 4.165 4.170 -0.000 0.000 0.287 275 I C 1.196 177.291 176.117 -0.037 0.000 1.079 275 I CA -0.437 60.830 61.300 -0.055 0.000 1.387 275 I CB 1.229 39.209 38.000 -0.034 0.000 1.404 275 I HN 0.539 nan 8.210 nan 0.000 0.522 276 V N 2.952 122.839 119.914 -0.045 0.000 3.376 276 V HA 0.370 4.490 4.120 -0.000 0.000 0.313 276 V C 0.229 176.304 176.094 -0.032 0.000 1.393 276 V CA 0.023 62.301 62.300 -0.036 0.000 1.125 276 V CB -0.601 31.197 31.823 -0.041 0.000 1.037 276 V HN 0.871 nan 8.190 nan 0.000 0.440 277 K N 0.446 120.828 120.400 -0.029 0.000 2.712 277 K HA 0.518 4.838 4.320 -0.000 0.000 0.274 277 K C -2.323 174.270 176.600 -0.012 0.000 1.025 277 K CA -0.651 55.621 56.287 -0.024 0.000 0.904 277 K CB 2.055 34.531 32.500 -0.041 0.000 1.392 277 K HN 0.222 nan 8.250 nan 0.000 0.392 278 I N 3.009 123.580 120.570 0.001 0.000 2.534 278 I HA 0.280 4.450 4.170 -0.000 0.000 0.288 278 I C -0.833 175.287 176.117 0.004 0.000 1.077 278 I CA -0.721 60.592 61.300 0.021 0.000 1.051 278 I CB 2.244 40.272 38.000 0.046 0.000 1.234 278 I HN 0.546 nan 8.210 nan 0.000 0.425 279 E N 6.072 126.275 120.200 0.005 0.000 2.151 279 E HA 0.459 4.809 4.350 -0.000 0.000 0.275 279 E C -1.178 175.426 176.600 0.008 0.000 0.936 279 E CA -0.673 55.731 56.400 0.008 0.000 0.777 279 E CB 2.068 31.780 29.700 0.019 0.000 1.108 279 E HN 0.487 nan 8.360 nan 0.000 0.401 280 E N 1.393 121.594 120.200 0.002 0.000 2.248 280 E HA 0.560 4.910 4.350 -0.000 0.000 0.267 280 E C -0.399 176.206 176.600 0.008 0.000 0.877 280 E CA -0.829 55.567 56.400 -0.007 0.000 0.759 280 E CB 2.237 31.920 29.700 -0.029 0.000 1.182 280 E HN 0.542 nan 8.360 nan 0.000 0.418 281 G N 1.897 110.707 108.800 0.015 0.000 3.211 281 G HA2 0.553 4.513 3.960 -0.000 0.000 0.262 281 G HA3 0.553 4.513 3.960 -0.000 0.000 0.262 281 G C -2.665 172.246 174.900 0.018 0.000 1.352 281 G CA -1.537 43.579 45.100 0.027 0.000 1.004 281 G HN 0.251 nan 8.290 nan 0.000 0.559 282 P HA 0.166 nan 4.420 nan 0.000 0.264 282 P C -0.155 177.155 177.300 0.016 0.000 1.179 282 P CA -0.249 62.862 63.100 0.019 0.000 0.763 282 P CB 0.677 32.392 31.700 0.024 0.000 0.806 283 V N 4.419 124.338 119.914 0.007 0.000 2.530 283 V HA 0.138 4.258 4.120 -0.000 0.000 0.282 283 V C 0.362 176.464 176.094 0.014 0.000 1.048 283 V CA 0.043 62.345 62.300 0.003 0.000 0.997 283 V CB 1.236 33.055 31.823 -0.006 0.000 0.987 283 V HN 0.220 nan 8.190 nan 0.000 0.477 284 V N 7.402 127.328 119.914 0.020 0.000 2.483 284 V HA 0.373 4.493 4.120 -0.000 0.000 0.297 284 V C -2.291 173.824 176.094 0.034 0.000 1.027 284 V CA -1.888 60.430 62.300 0.031 0.000 0.855 284 V CB 1.850 33.700 31.823 0.044 0.000 0.995 284 V HN 0.769 nan 8.190 nan 0.000 0.424 285 P HA 0.075 nan 4.420 nan 0.000 0.264 285 P C -0.239 177.100 177.300 0.065 0.000 1.183 285 P CA 0.037 63.161 63.100 0.041 0.000 0.763 285 P CB 0.368 32.091 31.700 0.039 0.000 0.807 286 V N 6.198 126.156 119.914 0.074 0.000 2.585 286 V HA 0.070 4.190 4.120 -0.000 0.000 0.296 286 V C -1.812 174.375 176.094 0.155 0.000 1.035 286 V CA -1.060 61.310 62.300 0.118 0.000 1.084 286 V CB -0.070 31.824 31.823 0.119 0.000 0.953 286 V HN 0.584 nan 8.190 nan 0.000 0.483 287 P HA 0.165 nan 4.420 nan 0.000 0.266 287 P C 0.389 177.896 177.300 0.344 0.000 1.215 287 P CA 0.052 63.285 63.100 0.221 0.000 0.763 287 P CB 0.480 32.293 31.700 0.188 0.000 0.806 288 M N 0.089 119.852 119.600 0.272 0.000 2.567 288 M HA 0.049 4.529 4.480 -0.000 0.000 0.261 288 M C 0.453 176.916 176.300 0.272 0.000 1.180 288 M CA 0.695 56.144 55.300 0.249 0.000 1.143 288 M CB -0.965 31.708 32.600 0.121 0.000 1.319 288 M HN 0.162 nan 8.290 nan 0.000 0.490 289 T N 2.825 117.537 114.554 0.264 0.000 2.849 289 T HA 0.189 4.539 4.350 -0.000 0.000 0.289 289 T C 0.453 175.338 174.700 0.307 0.000 1.010 289 T CA -0.129 62.113 62.100 0.236 0.000 1.161 289 T CB 0.193 69.192 68.868 0.218 0.000 0.989 289 T HN 0.363 nan 8.240 nan 0.000 0.523 290 A N 4.834 127.783 122.820 0.215 0.000 2.548 290 A HA 0.253 4.573 4.320 -0.000 0.000 0.247 290 A C 0.784 178.459 177.584 0.152 0.000 1.067 290 A CA -0.034 52.117 52.037 0.191 0.000 0.757 290 A CB 0.142 19.198 19.000 0.092 0.000 0.996 290 A HN 0.680 nan 8.150 nan 0.000 0.504 291 R N 3.142 123.725 120.500 0.138 0.000 2.681 291 R HA 0.268 4.608 4.340 -0.000 0.000 0.277 291 R C -3.052 173.211 176.300 -0.062 0.000 1.563 291 R CA -1.694 54.418 56.100 0.019 0.000 1.673 291 R CB 0.742 31.032 30.300 -0.016 0.000 1.258 291 R HN 0.517 nan 8.270 nan 0.000 0.650 292 P HA 0.095 nan 4.420 nan 0.000 0.272 292 P C 0.167 177.349 177.300 -0.196 0.000 1.223 292 P CA -0.132 62.839 63.100 -0.214 0.000 0.784 292 P CB 0.342 31.925 31.700 -0.194 0.000 0.923 293 F N -0.612 119.263 119.950 -0.125 0.000 2.746 293 F HA 0.258 4.785 4.527 -0.000 0.000 0.320 293 F C 0.966 176.706 175.800 -0.100 0.000 1.097 293 F CA -0.408 57.503 58.000 -0.148 0.000 1.195 293 F CB -0.730 38.152 39.000 -0.198 0.000 1.056 293 F HN 0.109 nan 8.300 nan 0.000 0.562 294 D N 0.418 120.606 120.400 -0.353 0.000 2.328 294 D HA 0.187 4.827 4.640 -0.000 0.000 0.226 294 D C 1.855 178.104 176.300 -0.085 0.000 1.066 294 D CA 0.587 54.486 54.000 -0.169 0.000 0.861 294 D CB -0.076 40.544 40.800 -0.300 0.000 0.912 294 D HN 0.486 nan 8.370 nan 0.000 0.521 295 G N 1.832 110.590 108.800 -0.070 0.000 2.179 295 G HA2 -0.451 3.509 3.960 -0.000 0.000 0.260 295 G HA3 -0.451 3.509 3.960 -0.000 0.000 0.260 295 G C 1.267 176.137 174.900 -0.050 0.000 0.977 295 G CA 0.539 45.613 45.100 -0.043 0.000 0.641 295 G HN 0.591 nan 8.290 nan 0.000 0.533 296 R N 0.575 121.030 120.500 -0.074 0.000 2.139 296 R HA -0.083 4.257 4.340 -0.000 0.000 0.243 296 R C 1.517 177.793 176.300 -0.039 0.000 1.145 296 R CA 2.040 58.105 56.100 -0.058 0.000 0.976 296 R CB -0.493 29.762 30.300 -0.075 0.000 0.866 296 R HN 0.458 nan 8.270 nan 0.000 0.449 297 D N -0.165 120.213 120.400 -0.038 0.000 2.368 297 D HA 0.090 4.730 4.640 -0.000 0.000 0.218 297 D C -0.042 176.249 176.300 -0.014 0.000 1.112 297 D CA -0.215 53.772 54.000 -0.022 0.000 0.834 297 D CB 0.243 41.032 40.800 -0.019 0.000 0.953 297 D HN 0.080 nan 8.370 nan 0.000 0.505 298 R N -0.189 120.301 120.500 -0.016 0.000 2.837 298 R HA 0.654 4.994 4.340 -0.000 0.000 0.271 298 R C -1.085 175.211 176.300 -0.007 0.000 0.993 298 R CA -0.976 55.118 56.100 -0.009 0.000 0.931 298 R CB 2.504 32.798 30.300 -0.010 0.000 1.206 298 R HN -0.141 nan 8.270 nan 0.000 0.474 299 V N 1.090 121.002 119.914 -0.003 0.000 2.483 299 V HA 0.475 4.595 4.120 -0.000 0.000 0.297 299 V C 0.108 176.202 176.094 0.000 0.000 1.027 299 V CA -1.049 61.250 62.300 -0.001 0.000 0.855 299 V CB 1.554 33.377 31.823 0.001 0.000 0.995 299 V HN 0.923 nan 8.190 nan 0.000 0.424 300 A N 6.528 129.348 122.820 -0.000 0.000 2.371 300 A HA 0.791 5.111 4.320 -0.000 0.000 0.257 300 A C -2.046 175.539 177.584 0.003 0.000 1.089 300 A CA -0.968 51.069 52.037 0.001 0.000 0.794 300 A CB -0.205 18.795 19.000 0.001 0.000 1.029 300 A HN 0.723 nan 8.150 nan 0.000 0.488 301 P HA 0.449 nan 4.420 nan 0.000 0.274 301 P C -0.321 176.982 177.300 0.004 0.000 1.231 301 P CA -0.165 62.938 63.100 0.004 0.000 0.790 301 P CB 0.751 32.454 31.700 0.005 0.000 0.951 302 A N 1.914 124.737 122.820 0.004 0.000 2.388 302 A HA 0.505 4.825 4.320 -0.000 0.000 0.257 302 A C -0.260 177.327 177.584 0.004 0.000 1.095 302 A CA -0.210 51.829 52.037 0.004 0.000 0.791 302 A CB 0.148 19.150 19.000 0.005 0.000 1.029 302 A HN 0.378 nan 8.150 nan 0.000 0.489 303 V N 2.828 122.745 119.914 0.004 0.000 2.876 303 V HA 0.339 4.459 4.120 -0.000 0.000 0.312 303 V C -0.408 175.688 176.094 0.003 0.000 1.085 303 V CA -1.175 61.127 62.300 0.003 0.000 0.945 303 V CB 2.074 33.899 31.823 0.003 0.000 1.017 303 V HN 0.885 nan 8.190 nan 0.000 0.428 304 K N 4.138 124.539 120.400 0.002 0.000 2.326 304 K HA 0.397 4.716 4.320 -0.000 0.000 0.275 304 K C -2.094 174.508 176.600 0.003 0.000 1.018 304 K CA -1.721 54.567 56.287 0.002 0.000 0.962 304 K CB 0.353 32.852 32.500 -0.001 0.000 0.953 304 K HN 0.506 nan 8.250 nan 0.000 0.475 305 P HA 0.189 nan 4.420 nan 0.000 0.272 305 P C -0.651 176.654 177.300 0.007 0.000 1.223 305 P CA -0.334 62.771 63.100 0.009 0.000 0.784 305 P CB 0.798 32.506 31.700 0.014 0.000 0.923 306 M N 1.642 121.247 119.600 0.009 0.000 2.267 306 M HA 0.273 4.753 4.480 -0.000 0.000 0.289 306 M C -1.542 174.767 176.300 0.016 0.000 1.043 306 M CA -0.332 54.973 55.300 0.008 0.000 0.928 306 M CB 2.152 34.754 32.600 0.002 0.000 1.613 306 M HN 0.341 nan 8.290 nan 0.000 0.450 307 Q N 4.523 124.338 119.800 0.024 0.000 2.397 307 Q HA 0.636 4.975 4.340 -0.000 0.000 0.275 307 Q C -1.377 174.648 176.000 0.041 0.000 1.090 307 Q CA -0.766 55.062 55.803 0.041 0.000 0.809 307 Q CB 3.447 32.225 28.738 0.067 0.000 1.362 307 Q HN 0.730 nan 8.270 nan 0.000 0.431 308 I N 4.017 124.616 120.570 0.048 0.000 2.382 308 I HA 0.424 4.594 4.170 -0.000 0.000 0.285 308 I C -0.353 175.811 176.117 0.080 0.000 1.007 308 I CA -0.635 60.694 61.300 0.049 0.000 1.142 308 I CB 0.745 38.771 38.000 0.043 0.000 1.289 308 I HN 0.514 nan 8.210 nan 0.000 0.453 309 I N 2.557 123.167 120.570 0.067 0.000 2.740 309 I HA 0.612 4.782 4.170 -0.000 0.000 0.303 309 I C -0.742 175.363 176.117 -0.019 0.000 1.044 309 I CA -0.570 60.777 61.300 0.078 0.000 1.064 309 I CB 2.245 40.309 38.000 0.107 0.000 1.249 309 I HN 0.469 nan 8.210 nan 0.000 0.433 310 E N 4.824 124.990 120.200 -0.057 0.000 3.108 310 E HA 0.246 4.596 4.350 -0.000 0.000 0.228 310 E C -2.150 174.304 176.600 -0.244 0.000 1.176 310 E CA -1.509 54.834 56.400 -0.095 0.000 0.881 310 E CB 1.231 30.928 29.700 -0.004 0.000 1.354 310 E HN 0.551 nan 8.360 nan 0.000 0.400 311 P HA -0.155 nan 4.420 nan 0.000 0.225 311 P C 0.354 177.481 177.300 -0.288 0.000 1.148 311 P CA 1.076 63.692 63.100 -0.807 0.000 0.779 311 P CB 0.398 31.582 31.700 -0.859 0.000 0.780 312 E N -0.487 119.617 120.200 -0.160 0.000 2.501 312 E HA 0.367 4.717 4.350 -0.000 0.000 0.200 312 E C 0.792 177.366 176.600 -0.042 0.000 1.016 312 E CA -0.063 56.294 56.400 -0.072 0.000 0.921 312 E CB 0.298 29.962 29.700 -0.060 0.000 1.034 312 E HN 0.193 nan 8.360 nan 0.000 0.468 313 G N 1.425 110.203 108.800 -0.037 0.000 2.631 313 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.504 313 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.504 313 G C -0.872 173.976 174.900 -0.087 0.000 1.306 313 G CA -0.988 44.092 45.100 -0.033 0.000 0.897 313 G HN -0.063 nan 8.290 nan 0.000 0.520 314 K N -0.072 120.216 120.400 -0.185 0.000 2.090 314 K HA 0.417 4.737 4.320 -0.000 0.000 0.249 314 K C 1.151 177.605 176.600 -0.243 0.000 0.995 314 K CA -0.653 55.425 56.287 -0.347 0.000 0.914 314 K CB 0.708 32.642 32.500 -0.943 0.000 1.057 314 K HN 0.551 nan 8.250 nan 0.000 0.462 315 N N -0.279 118.351 118.700 -0.117 0.000 2.412 315 N HA -0.007 4.733 4.740 -0.000 0.000 0.184 315 N C -0.544 175.078 175.510 0.187 0.000 1.101 315 N CA 0.159 53.254 53.050 0.075 0.000 0.881 315 N CB 0.011 38.618 38.487 0.200 0.000 0.969 315 N HN 0.457 nan 8.380 nan 0.000 0.459 316 Y N -1.584 118.857 120.300 0.236 0.000 2.496 316 Y HA 0.719 5.269 4.550 -0.000 0.000 0.331 316 Y C -0.050 175.866 175.900 0.026 0.000 1.140 316 Y CA -1.186 57.015 58.100 0.168 0.000 1.166 316 Y CB 0.693 39.193 38.460 0.066 0.000 1.249 316 Y HN -0.342 nan 8.280 nan 0.000 0.479 317 T N 3.183 117.845 114.554 0.180 0.000 2.876 317 T HA 0.595 4.944 4.350 -0.000 0.000 0.289 317 T C -0.775 173.911 174.700 -0.024 0.000 1.014 317 T CA -0.618 61.505 62.100 0.038 0.000 0.986 317 T CB 0.932 69.844 68.868 0.073 0.000 1.021 317 T HN 0.575 nan 8.240 nan 0.000 0.458 318 I N 2.693 123.161 120.570 -0.170 0.000 2.382 318 I HA 0.321 4.491 4.170 -0.000 0.000 0.285 318 I C -0.087 175.996 176.117 -0.057 0.000 1.007 318 I CA -0.617 60.562 61.300 -0.201 0.000 1.142 318 I CB 1.624 39.372 38.000 -0.421 0.000 1.289 318 I HN 0.498 nan 8.210 nan 0.000 0.453 319 T N 5.238 119.783 114.554 -0.016 0.000 2.947 319 T HA 0.527 4.877 4.350 -0.000 0.000 0.337 319 T C 0.761 175.493 174.700 0.054 0.000 1.139 319 T CA 0.204 62.333 62.100 0.049 0.000 0.992 319 T CB 1.234 70.130 68.868 0.047 0.000 1.043 319 T HN 1.061 nan 8.240 nan 0.000 0.498 320 G N 3.935 112.788 108.800 0.089 0.000 2.595 320 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.297 320 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.297 320 G C 0.323 175.221 174.900 -0.003 0.000 1.181 320 G CA 0.382 45.519 45.100 0.061 0.000 0.963 320 G HN 0.611 nan 8.290 nan 0.000 0.541 321 D N 1.176 121.511 120.400 -0.108 0.000 2.431 321 D HA 0.239 4.879 4.640 -0.000 0.000 0.213 321 D C 0.921 176.973 176.300 -0.412 0.000 1.130 321 D CA 0.051 53.865 54.000 -0.310 0.000 0.834 321 D CB 0.252 40.718 40.800 -0.556 0.000 0.985 321 D HN 0.340 nan 8.370 nan 0.000 0.504 322 M N 1.377 120.844 119.600 -0.222 0.000 2.120 322 M HA 0.294 4.774 4.480 -0.000 0.000 0.354 322 M C -0.091 176.044 176.300 -0.275 0.000 1.287 322 M CA 0.085 55.267 55.300 -0.197 0.000 1.103 322 M CB 1.604 34.211 32.600 0.012 0.000 1.623 322 M HN -0.281 nan 8.290 nan 0.000 0.471 323 I N 3.236 123.480 120.570 -0.544 0.000 2.336 323 I HA 0.272 4.442 4.170 -0.000 0.000 0.292 323 I C -0.106 175.758 176.117 -0.422 0.000 0.991 323 I CA -0.543 60.384 61.300 -0.622 0.000 1.227 323 I CB 0.970 38.287 38.000 -1.139 0.000 1.366 323 I HN 0.612 nan 8.210 nan 0.000 0.466 324 H N 6.512 125.473 119.070 -0.181 0.000 2.505 324 H HA 0.274 4.830 4.556 -0.000 0.000 0.338 324 H C -2.131 173.304 175.328 0.179 0.000 1.057 324 H CA -0.649 55.393 56.048 -0.010 0.000 1.202 324 H CB 1.689 31.454 29.762 0.005 0.000 1.466 324 H HN 0.738 nan 8.280 nan 0.000 0.499 325 W N 8.978 129.916 121.300 -0.603 0.000 3.089 325 W HA 0.286 4.946 4.660 -0.000 0.000 0.333 325 W C -0.495 175.871 176.519 -0.255 0.000 1.053 325 W CA -0.474 56.680 57.345 -0.318 0.000 1.257 325 W CB 0.461 29.904 29.460 -0.029 0.000 1.281 325 W HN 0.895 nan 8.180 nan 0.000 0.427 326 R N 2.642 122.685 120.500 -0.761 0.000 3.943 326 R HA -0.374 3.966 4.340 -0.000 0.000 0.368 326 R C 0.503 176.531 176.300 -0.453 0.000 0.242 326 R CA 2.040 57.740 56.100 -0.667 0.000 1.197 326 R CB -1.347 28.381 30.300 -0.954 0.000 0.990 326 R HN 0.762 nan 8.270 nan 0.000 0.565 327 N N -0.085 118.292 118.700 -0.539 0.000 2.336 327 N HA 0.098 4.838 4.740 -0.000 0.000 0.189 327 N C -0.271 174.892 175.510 -0.578 0.000 1.113 327 N CA -0.108 52.533 53.050 -0.682 0.000 0.858 327 N CB 0.147 37.840 38.487 -1.322 0.000 0.970 327 N HN 0.208 nan 8.380 nan 0.000 0.471 328 W N 1.385 122.577 121.300 -0.179 0.000 2.438 328 W HA 0.370 5.030 4.660 -0.000 0.000 0.324 328 W C -0.219 176.359 176.519 0.097 0.000 1.119 328 W CA -0.617 56.772 57.345 0.072 0.000 1.221 328 W CB 0.985 30.611 29.460 0.276 0.000 1.253 328 W HN -0.172 nan 8.180 nan 0.000 0.555 329 D N 2.980 123.685 120.400 0.508 0.000 2.896 329 D HA 0.443 5.083 4.640 -0.000 0.000 0.241 329 D C -1.037 175.502 176.300 0.398 0.000 1.188 329 D CA -0.358 53.841 54.000 0.332 0.000 0.879 329 D CB 2.212 43.188 40.800 0.293 0.000 1.553 329 D HN 0.260 nan 8.370 nan 0.000 0.515 330 F N -1.065 118.924 119.950 0.066 0.000 2.741 330 F HA 0.407 4.933 4.527 -0.000 0.000 0.313 330 F C -1.574 174.192 175.800 -0.057 0.000 1.153 330 F CA -1.012 56.986 58.000 -0.002 0.000 0.931 330 F CB 1.770 40.699 39.000 -0.119 0.000 1.335 330 F HN 0.195 nan 8.300 nan 0.000 0.460 331 H N 2.017 121.058 119.070 -0.048 0.000 2.489 331 H HA 0.687 5.243 4.556 -0.000 0.000 0.343 331 H C -2.052 173.179 175.328 -0.162 0.000 1.086 331 H CA -0.765 55.116 56.048 -0.278 0.000 1.198 331 H CB 2.169 31.570 29.762 -0.600 0.000 1.490 331 H HN 0.834 nan 8.280 nan 0.000 0.504 332 L N 4.904 125.784 121.223 -0.572 0.000 2.349 332 L HA 0.363 4.703 4.340 -0.000 0.000 0.278 332 L C -0.904 175.686 176.870 -0.468 0.000 0.996 332 L CA -0.193 54.432 54.840 -0.358 0.000 0.825 332 L CB 1.342 43.274 42.059 -0.212 0.000 1.243 332 L HN 0.686 nan 8.230 nan 0.000 0.412 333 S N 4.146 119.665 115.700 -0.303 0.000 2.632 333 S HA 0.860 5.330 4.470 -0.000 0.000 0.289 333 S C -0.733 173.739 174.600 -0.214 0.000 1.115 333 S CA -0.893 57.181 58.200 -0.211 0.000 0.889 333 S CB 1.797 64.965 63.200 -0.054 0.000 1.116 333 S HN 0.640 nan 8.310 nan 0.000 0.486 334 M N 2.533 122.030 119.600 -0.172 0.000 2.456 334 M HA 0.517 4.997 4.480 -0.000 0.000 0.324 334 M C -1.039 175.175 176.300 -0.143 0.000 1.124 334 M CA -0.533 54.649 55.300 -0.197 0.000 0.959 334 M CB 1.702 34.216 32.600 -0.143 0.000 1.692 334 M HN 0.894 nan 8.290 nan 0.000 0.444 335 N N 1.064 119.665 118.700 -0.165 0.000 2.269 335 N HA 0.296 5.036 4.740 -0.000 0.000 0.304 335 N C 0.057 175.534 175.510 -0.055 0.000 1.072 335 N CA 0.088 53.084 53.050 -0.090 0.000 0.802 335 N CB 1.743 40.178 38.487 -0.086 0.000 1.348 335 N HN 0.863 nan 8.380 nan 0.000 0.484 336 S N 2.967 118.667 115.700 0.001 0.000 2.423 336 S HA -0.109 4.361 4.470 -0.000 0.000 0.231 336 S C 1.719 176.356 174.600 0.061 0.000 1.014 336 S CA 0.623 58.851 58.200 0.046 0.000 0.965 336 S CB 0.034 63.273 63.200 0.065 0.000 0.785 336 S HN 0.706 nan 8.310 nan 0.000 0.495 337 R N 0.990 121.507 120.500 0.028 0.000 2.055 337 R HA 0.084 4.424 4.340 -0.000 0.000 0.221 337 R C 2.079 178.404 176.300 0.042 0.000 1.154 337 R CA 1.488 57.598 56.100 0.016 0.000 0.975 337 R CB -0.161 30.091 30.300 -0.079 0.000 0.869 337 R HN 0.453 nan 8.270 nan 0.000 0.437 338 V N -1.712 118.206 119.914 0.006 0.000 3.647 338 V HA 0.437 4.557 4.120 -0.000 0.000 0.279 338 V C 0.790 176.705 176.094 -0.298 0.000 1.314 338 V CA 0.377 62.657 62.300 -0.033 0.000 1.125 338 V CB -0.210 31.624 31.823 0.017 0.000 0.907 338 V HN 0.655 nan 8.190 nan 0.000 0.434 339 G N 1.376 109.930 108.800 -0.410 0.000 2.488 339 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.237 339 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.237 339 G C -2.573 171.821 174.900 -0.843 0.000 1.209 339 G CA -0.162 44.306 45.100 -1.054 0.000 0.929 339 G HN 0.626 nan 8.290 nan 0.000 0.578 340 P HA 0.409 nan 4.420 nan 0.000 0.271 340 P C -0.490 176.472 177.300 -0.564 0.000 1.216 340 P CA 0.341 63.050 63.100 -0.653 0.000 0.776 340 P CB 0.664 32.006 31.700 -0.597 0.000 0.881 341 M N 3.452 122.776 119.600 -0.461 0.000 2.253 341 M HA 0.399 4.879 4.480 -0.000 0.000 0.314 341 M C -0.372 175.672 176.300 -0.427 0.000 1.019 341 M CA -0.892 54.151 55.300 -0.428 0.000 0.932 341 M CB 1.965 34.395 32.600 -0.283 0.000 1.606 341 M HN 0.124 nan 8.290 nan 0.000 0.430 342 I N 2.541 122.790 120.570 -0.535 0.000 2.321 342 I HA 0.452 4.622 4.170 -0.000 0.000 0.291 342 I C -0.100 175.857 176.117 -0.268 0.000 0.998 342 I CA -0.076 60.990 61.300 -0.389 0.000 1.227 342 I CB 1.039 38.707 38.000 -0.552 0.000 1.368 342 I HN 0.636 nan 8.210 nan 0.000 0.466 343 S N 2.837 118.446 115.700 -0.153 0.000 2.634 343 S HA 0.508 4.978 4.470 -0.000 0.000 0.296 343 S C 0.027 174.514 174.600 -0.188 0.000 1.104 343 S CA -0.617 57.411 58.200 -0.286 0.000 0.920 343 S CB 1.820 64.775 63.200 -0.408 0.000 1.111 343 S HN 0.798 nan 8.310 nan 0.000 0.493 344 T N -1.605 112.682 114.554 -0.445 0.000 3.549 344 T HA -0.157 4.193 4.350 -0.000 0.000 0.398 344 T C -0.081 174.722 174.700 0.172 0.000 0.766 344 T CA 0.086 61.944 62.100 -0.403 0.000 2.007 344 T CB -2.537 66.184 68.868 -0.245 0.000 1.727 344 T HN 0.489 nan 8.240 nan 0.000 0.693 345 V N 2.572 122.666 119.914 0.300 0.000 2.427 345 V HA 0.581 4.701 4.120 -0.000 0.000 0.268 345 V C 1.212 177.685 176.094 0.632 0.000 1.046 345 V CA 0.253 62.845 62.300 0.485 0.000 0.970 345 V CB 0.700 32.762 31.823 0.397 0.000 1.001 345 V HN 1.002 nan 8.190 nan 0.000 0.476 346 T N 2.201 117.126 114.554 0.619 0.000 2.916 346 T HA 0.647 4.996 4.350 -0.000 0.000 0.292 346 T C -1.138 173.839 174.700 0.461 0.000 1.055 346 T CA -0.772 61.633 62.100 0.509 0.000 1.009 346 T CB 1.919 71.029 68.868 0.404 0.000 1.118 346 T HN 0.397 nan 8.240 nan 0.000 0.497 347 Y N 1.472 121.890 120.300 0.197 0.000 2.328 347 Y HA 0.474 5.024 4.550 -0.000 0.000 0.336 347 Y C 0.004 175.957 175.900 0.089 0.000 0.960 347 Y CA -1.132 56.953 58.100 -0.025 0.000 1.134 347 Y CB 1.473 39.853 38.460 -0.133 0.000 1.166 347 Y HN 0.919 nan 8.280 nan 0.000 0.464 348 N N 4.792 123.396 118.700 -0.160 0.000 2.448 348 N HA 0.013 4.753 4.740 -0.000 0.000 0.250 348 N C -1.332 174.240 175.510 0.104 0.000 1.136 348 N CA -0.287 52.758 53.050 -0.009 0.000 0.953 348 N CB 0.138 38.590 38.487 -0.059 0.000 1.251 348 N HN 0.563 nan 8.380 nan 0.000 0.502 349 D N 3.283 123.861 120.400 0.296 0.000 2.411 349 D HA 0.100 4.740 4.640 -0.000 0.000 0.225 349 D C -0.233 176.164 176.300 0.161 0.000 1.156 349 D CA -0.158 54.053 54.000 0.351 0.000 0.874 349 D CB -0.203 40.816 40.800 0.365 0.000 1.034 349 D HN 0.622 nan 8.370 nan 0.000 0.502 350 N N 3.058 121.827 118.700 0.116 0.000 2.708 350 N HA -0.258 4.482 4.740 -0.000 0.000 0.251 350 N C 0.945 176.477 175.510 0.036 0.000 1.017 350 N CA 1.503 54.587 53.050 0.056 0.000 0.742 350 N CB -0.821 37.697 38.487 0.052 0.000 0.943 350 N HN 0.745 nan 8.380 nan 0.000 0.539 351 G N -3.112 105.708 108.800 0.033 0.000 2.232 351 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.226 351 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.226 351 G C 0.145 175.062 174.900 0.028 0.000 0.996 351 G CA 0.217 45.329 45.100 0.021 0.000 0.626 351 G HN 0.496 nan 8.290 nan 0.000 0.509 352 T N 1.906 116.488 114.554 0.047 0.000 2.792 352 T HA 0.525 4.875 4.350 -0.000 0.000 0.280 352 T C -0.053 174.692 174.700 0.075 0.000 0.990 352 T CA -0.509 61.616 62.100 0.043 0.000 0.960 352 T CB 1.623 70.506 68.868 0.025 0.000 0.939 352 T HN 0.303 nan 8.240 nan 0.000 0.439 353 K N 3.395 123.837 120.400 0.071 0.000 2.349 353 K HA 0.305 4.625 4.320 -0.000 0.000 0.288 353 K C 0.165 176.825 176.600 0.100 0.000 1.058 353 K CA -0.099 56.254 56.287 0.111 0.000 0.953 353 K CB 0.781 33.355 32.500 0.123 0.000 0.997 353 K HN 0.346 nan 8.250 nan 0.000 0.477 354 R N 2.713 123.312 120.500 0.166 0.000 2.445 354 R HA 0.206 4.546 4.340 -0.000 0.000 0.308 354 R C -0.422 175.991 176.300 0.188 0.000 0.961 354 R CA -0.841 55.346 56.100 0.145 0.000 0.862 354 R CB 1.516 31.924 30.300 0.179 0.000 1.144 354 R HN 0.373 nan 8.270 nan 0.000 0.447 355 K N 1.141 121.545 120.400 0.007 0.000 2.436 355 K HA 0.029 4.349 4.320 -0.000 0.000 0.275 355 K C 0.276 176.978 176.600 0.170 0.000 0.999 355 K CA -0.049 56.200 56.287 -0.063 0.000 0.980 355 K CB 0.853 33.083 32.500 -0.450 0.000 0.919 355 K HN 0.316 nan 8.250 nan 0.000 0.484 356 V N 1.761 121.823 119.914 0.248 0.000 3.177 356 V HA 0.142 4.262 4.120 -0.000 0.000 0.219 356 V C -0.160 175.990 176.094 0.092 0.000 1.344 356 V CA -0.003 62.342 62.300 0.076 0.000 1.324 356 V CB 0.465 32.331 31.823 0.072 0.000 1.165 356 V HN 0.771 nan 8.190 nan 0.000 0.510 357 M N -1.106 118.664 119.600 0.284 0.000 2.238 357 M HA 0.370 4.850 4.480 -0.000 0.000 0.278 357 M C -0.166 176.322 176.300 0.313 0.000 1.040 357 M CA -0.567 54.869 55.300 0.227 0.000 0.969 357 M CB 2.147 34.788 32.600 0.068 0.000 1.694 357 M HN 0.267 nan 8.290 nan 0.000 0.472 358 Y N 3.934 124.343 120.300 0.180 0.000 2.184 358 Y HA 0.206 4.756 4.550 -0.000 0.000 0.290 358 Y C -0.359 175.412 175.900 -0.215 0.000 1.129 358 Y CA 1.632 59.648 58.100 -0.142 0.000 1.144 358 Y CB 0.584 38.958 38.460 -0.143 0.000 0.995 358 Y HN 0.640 nan 8.280 nan 0.000 0.513 359 E N -1.282 118.790 120.200 -0.214 0.000 2.335 359 E HA 0.525 4.875 4.350 -0.000 0.000 0.280 359 E C -1.207 175.287 176.600 -0.176 0.000 0.918 359 E CA -0.374 55.840 56.400 -0.310 0.000 0.765 359 E CB 1.847 31.359 29.700 -0.313 0.000 1.218 359 E HN 0.246 nan 8.360 nan 0.000 0.425 360 G N 0.764 109.429 108.800 -0.224 0.000 2.638 360 G HA2 0.703 4.663 3.960 -0.000 0.000 0.302 360 G HA3 0.703 4.663 3.960 -0.000 0.000 0.302 360 G C -0.876 173.842 174.900 -0.304 0.000 1.365 360 G CA -0.440 44.574 45.100 -0.143 0.000 0.987 360 G HN 0.544 nan 8.290 nan 0.000 0.495 361 S N 0.366 116.075 115.700 0.015 0.000 2.643 361 S HA 0.551 5.021 4.470 -0.000 0.000 0.266 361 S C -1.190 173.650 174.600 0.400 0.000 1.130 361 S CA -0.852 57.363 58.200 0.025 0.000 0.817 361 S CB 0.999 64.116 63.200 -0.139 0.000 1.107 361 S HN 1.578 nan 8.310 nan 0.000 0.471 362 L N 1.874 123.290 121.223 0.322 0.000 2.485 362 L HA 0.632 4.972 4.340 -0.000 0.000 0.275 362 L C 1.191 178.102 176.870 0.070 0.000 1.207 362 L CA 1.385 56.325 54.840 0.168 0.000 0.855 362 L CB 0.271 42.289 42.059 -0.068 0.000 1.114 362 L HN 1.024 nan 8.230 nan 0.000 0.485 363 G N 2.619 111.426 108.800 0.012 0.000 2.524 363 G HA2 0.500 4.460 3.960 -0.000 0.000 0.210 363 G HA3 0.500 4.460 3.960 -0.000 0.000 0.210 363 G C 0.335 175.282 174.900 0.078 0.000 1.187 363 G CA 0.456 45.612 45.100 0.094 0.000 0.825 363 G HN 1.122 nan 8.290 nan 0.000 0.558 364 G N -1.026 107.715 108.800 -0.099 0.000 2.506 364 G HA2 0.569 4.529 3.960 -0.000 0.000 0.292 364 G HA3 0.569 4.529 3.960 -0.000 0.000 0.292 364 G C -1.069 173.747 174.900 -0.140 0.000 1.425 364 G CA -0.361 44.666 45.100 -0.122 0.000 0.788 364 G HN 0.761 nan 8.290 nan 0.000 0.490 365 M N -0.720 118.874 119.600 -0.011 0.000 2.622 365 M HA 0.889 5.369 4.480 -0.000 0.000 0.276 365 M C -1.681 174.714 176.300 0.159 0.000 1.265 365 M CA -1.085 54.260 55.300 0.074 0.000 0.850 365 M CB 2.779 35.396 32.600 0.028 0.000 1.720 365 M HN 0.719 nan 8.290 nan 0.000 0.465 366 I N 1.369 122.020 120.570 0.135 0.000 2.752 366 I HA 0.625 4.795 4.170 -0.000 0.000 0.295 366 I C -1.832 174.316 176.117 0.051 0.000 1.219 366 I CA -0.919 60.461 61.300 0.134 0.000 1.030 366 I CB 2.526 40.608 38.000 0.138 0.000 1.259 366 I HN 0.654 nan 8.210 nan 0.000 0.423 367 V N 8.192 128.179 119.914 0.122 0.000 2.276 367 V HA 0.410 4.529 4.120 -0.000 0.000 0.268 367 V C -2.391 173.801 176.094 0.163 0.000 1.032 367 V CA -1.200 61.136 62.300 0.060 0.000 0.810 367 V CB 0.817 32.684 31.823 0.073 0.000 1.060 367 V HN 0.530 nan 8.190 nan 0.000 0.446 368 P HA 0.419 nan 4.420 nan 0.000 0.294 368 P C -1.261 176.189 177.300 0.250 0.000 1.294 368 P CA -0.427 62.855 63.100 0.305 0.000 0.827 368 P CB 1.370 33.297 31.700 0.378 0.000 0.992 369 Y N 0.549 121.038 120.300 0.315 0.000 2.403 369 Y HA 0.504 5.054 4.550 -0.000 0.000 0.323 369 Y C 1.874 177.873 175.900 0.165 0.000 1.226 369 Y CA 0.358 58.608 58.100 0.250 0.000 1.235 369 Y CB 1.137 39.766 38.460 0.281 0.000 1.248 369 Y HN 0.490 nan 8.280 nan 0.000 0.489 370 G N 0.130 109.020 108.800 0.149 0.000 3.575 370 G HA2 0.001 3.961 3.960 -0.000 0.000 0.273 370 G HA3 0.001 3.961 3.960 -0.000 0.000 0.273 370 G C -0.584 174.233 174.900 -0.138 0.000 1.053 370 G CA -0.118 44.959 45.100 -0.039 0.000 0.803 370 G HN 0.515 nan 8.290 nan 0.000 0.528 371 D N 1.044 121.368 120.400 -0.127 0.000 2.198 371 D HA 0.243 4.883 4.640 -0.000 0.000 0.245 371 D C -1.463 174.691 176.300 -0.243 0.000 1.079 371 D CA -1.804 51.928 54.000 -0.446 0.000 0.854 371 D CB 2.996 43.550 40.800 -0.410 0.000 1.148 371 D HN 0.015 nan 8.370 nan 0.000 0.456 372 P HA 0.056 nan 4.420 nan 0.000 0.235 372 P C -0.109 177.224 177.300 0.055 0.000 1.177 372 P CA -0.086 62.945 63.100 -0.114 0.000 0.785 372 P CB 0.585 32.167 31.700 -0.197 0.000 0.885 373 D N 0.121 120.554 120.400 0.055 0.000 2.370 373 D HA -0.064 4.576 4.640 -0.000 0.000 0.235 373 D C 1.540 178.051 176.300 0.352 0.000 1.228 373 D CA -0.042 54.072 54.000 0.190 0.000 0.884 373 D CB 0.451 41.365 40.800 0.190 0.000 1.201 373 D HN -0.127 nan 8.370 nan 0.000 0.456 374 I N 0.767 121.522 120.570 0.308 0.000 2.194 374 I HA -0.156 4.014 4.170 -0.000 0.000 0.246 374 I C 1.969 178.258 176.117 0.286 0.000 1.093 374 I CA 1.787 63.292 61.300 0.341 0.000 1.355 374 I CB -0.184 37.938 38.000 0.203 0.000 1.046 374 I HN 0.485 nan 8.210 nan 0.000 0.413 375 G N -2.315 106.600 108.800 0.193 0.000 3.233 375 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.227 375 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.227 375 G C 0.537 175.066 174.900 -0.618 0.000 1.175 375 G CA -0.047 44.997 45.100 -0.094 0.000 0.781 375 G HN 0.522 nan 8.290 nan 0.000 0.542 376 W N -1.569 119.594 121.300 -0.228 0.000 2.977 376 W HA 0.175 4.835 4.660 -0.000 0.000 0.236 376 W C 1.981 178.264 176.519 -0.393 0.000 1.053 376 W CA -0.324 56.779 57.345 -0.403 0.000 1.375 376 W CB -0.253 29.100 29.460 -0.178 0.000 0.814 376 W HN 0.218 nan 8.180 nan 0.000 0.713 377 Y N 0.773 121.098 120.300 0.041 0.000 2.241 377 Y HA -0.273 4.277 4.550 -0.000 0.000 0.286 377 Y C 1.613 177.613 175.900 0.167 0.000 1.166 377 Y CA 1.561 59.709 58.100 0.081 0.000 1.203 377 Y CB -1.767 36.712 38.460 0.030 0.000 0.977 377 Y HN 0.074 nan 8.280 nan 0.000 0.529 378 F N -0.179 119.579 119.950 -0.320 0.000 2.727 378 F HA 0.412 4.939 4.527 -0.000 0.000 0.302 378 F C 0.792 176.627 175.800 0.058 0.000 1.097 378 F CA -1.348 56.651 58.000 -0.003 0.000 1.330 378 F CB -0.455 38.357 39.000 -0.313 0.000 1.084 378 F HN -0.213 nan 8.300 nan 0.000 0.578 379 K N 2.385 122.402 120.400 -0.638 0.000 2.351 379 K HA 0.477 4.797 4.320 -0.000 0.000 0.287 379 K C -0.618 176.046 176.600 0.107 0.000 1.068 379 K CA 0.279 56.323 56.287 -0.404 0.000 0.998 379 K CB -0.066 32.072 32.500 -0.603 0.000 0.968 379 K HN 0.381 nan 8.250 nan 0.000 0.464 380 A N 5.669 128.559 122.820 0.117 0.000 2.969 380 A HA 0.167 4.487 4.320 -0.000 0.000 0.303 380 A C -1.588 176.121 177.584 0.209 0.000 1.198 380 A CA -0.651 51.516 52.037 0.216 0.000 0.819 380 A CB 0.102 19.187 19.000 0.143 0.000 1.385 380 A HN 0.678 nan 8.150 nan 0.000 0.479 381 Y N 1.178 121.601 120.300 0.205 0.000 2.677 381 Y HA 0.210 4.760 4.550 -0.000 0.000 0.335 381 Y C 0.688 176.710 175.900 0.205 0.000 1.162 381 Y CA 0.766 59.002 58.100 0.227 0.000 1.483 381 Y CB 0.560 39.135 38.460 0.191 0.000 1.209 381 Y HN 0.531 nan 8.280 nan 0.000 0.528 382 L N 5.284 126.732 121.223 0.375 0.000 2.475 382 L HA 0.145 4.485 4.340 -0.000 0.000 0.253 382 L C 0.785 177.863 176.870 0.346 0.000 1.137 382 L CA -0.321 54.677 54.840 0.262 0.000 1.058 382 L CB 0.229 42.380 42.059 0.154 0.000 1.382 382 L HN 0.735 nan 8.230 nan 0.000 0.416 383 D N 0.440 121.052 120.400 0.353 0.000 2.154 383 D HA -0.232 4.408 4.640 -0.000 0.000 0.190 383 D C 1.998 178.495 176.300 0.328 0.000 1.003 383 D CA 2.199 56.416 54.000 0.362 0.000 0.849 383 D CB 0.138 41.083 40.800 0.241 0.000 0.942 383 D HN 0.575 nan 8.370 nan 0.000 0.446 384 S N 0.022 115.847 115.700 0.208 0.000 2.362 384 S HA 0.021 4.491 4.470 -0.000 0.000 0.221 384 S C 2.291 176.931 174.600 0.067 0.000 1.032 384 S CA 1.012 59.305 58.200 0.155 0.000 0.973 384 S CB -0.844 62.417 63.200 0.102 0.000 0.849 384 S HN 0.291 nan 8.310 nan 0.000 0.465 385 G N 1.868 110.671 108.800 0.005 0.000 2.446 385 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 385 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 385 G C 1.072 175.931 174.900 -0.068 0.000 1.168 385 G CA 1.201 46.237 45.100 -0.106 0.000 0.771 385 G HN 0.493 nan 8.290 nan 0.000 0.551 386 D N -1.379 119.023 120.400 0.004 0.000 2.327 386 D HA 0.112 4.752 4.640 -0.000 0.000 0.205 386 D C 1.353 177.473 176.300 -0.301 0.000 0.989 386 D CA 0.440 54.348 54.000 -0.153 0.000 0.873 386 D CB 0.192 40.877 40.800 -0.193 0.000 0.955 386 D HN 0.476 nan 8.370 nan 0.000 0.515 387 Y N -0.429 119.956 120.300 0.142 0.000 2.430 387 Y HA 0.354 4.904 4.550 -0.000 0.000 0.254 387 Y C 1.114 177.107 175.900 0.156 0.000 1.088 387 Y CA 0.037 58.253 58.100 0.193 0.000 1.267 387 Y CB 0.949 39.577 38.460 0.280 0.000 1.204 387 Y HN -0.111 nan 8.280 nan 0.000 0.515 388 G N 1.353 110.298 108.800 0.242 0.000 2.828 388 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.262 388 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.262 388 G C 0.418 175.461 174.900 0.239 0.000 1.033 388 G CA 0.170 45.381 45.100 0.186 0.000 1.248 388 G HN 0.266 nan 8.290 nan 0.000 0.551 389 M N 0.825 120.590 119.600 0.275 0.000 2.229 389 M HA 0.014 4.494 4.480 -0.000 0.000 0.264 389 M C 2.701 179.307 176.300 0.511 0.000 1.063 389 M CA 2.253 57.783 55.300 0.382 0.000 1.114 389 M CB -0.091 32.788 32.600 0.465 0.000 1.387 389 M HN 0.631 nan 8.290 nan 0.000 0.420 390 G N -0.480 108.547 108.800 0.379 0.000 2.402 390 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.216 390 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.216 390 G C 1.451 176.508 174.900 0.261 0.000 1.162 390 G CA 1.320 46.604 45.100 0.306 0.000 0.777 390 G HN 0.344 nan 8.290 nan 0.000 0.539 391 T N 1.385 116.058 114.554 0.199 0.000 2.720 391 T HA -0.026 4.324 4.350 -0.000 0.000 0.268 391 T C 1.983 176.781 174.700 0.164 0.000 1.037 391 T CA 0.640 62.838 62.100 0.163 0.000 1.144 391 T CB -0.174 68.786 68.868 0.153 0.000 0.864 391 T HN 0.113 nan 8.240 nan 0.000 0.444 392 L N 1.712 123.046 121.223 0.184 0.000 2.672 392 L HA 0.128 4.468 4.340 -0.000 0.000 0.236 392 L C 0.569 177.520 176.870 0.134 0.000 1.186 392 L CA -0.230 54.693 54.840 0.138 0.000 0.977 392 L CB -0.782 41.354 42.059 0.129 0.000 1.203 392 L HN 0.123 nan 8.230 nan 0.000 0.448 393 T N -0.004 114.681 114.554 0.219 0.000 2.946 393 T HA 0.007 4.357 4.350 -0.000 0.000 0.311 393 T C 0.651 175.402 174.700 0.085 0.000 1.063 393 T CA 0.274 62.502 62.100 0.214 0.000 1.139 393 T CB 0.728 69.843 68.868 0.413 0.000 0.994 393 T HN 0.129 nan 8.240 nan 0.000 0.547 394 S N 4.971 120.670 115.700 -0.002 0.000 2.422 394 S HA 0.345 4.815 4.470 -0.000 0.000 0.308 394 S C -2.250 172.360 174.600 0.016 0.000 1.097 394 S CA -1.192 57.000 58.200 -0.013 0.000 1.099 394 S CB 0.890 64.047 63.200 -0.071 0.000 0.976 394 S HN 0.456 nan 8.310 nan 0.000 0.471 395 P HA 0.068 nan 4.420 nan 0.000 0.262 395 P C -0.301 177.015 177.300 0.027 0.000 1.182 395 P CA 0.046 63.172 63.100 0.043 0.000 0.761 395 P CB 0.215 31.933 31.700 0.029 0.000 0.795 396 I N 2.209 122.806 120.570 0.044 0.000 2.683 396 I HA 0.024 4.194 4.170 -0.000 0.000 0.286 396 I C 0.884 177.009 176.117 0.012 0.000 1.175 396 I CA 0.148 61.468 61.300 0.034 0.000 1.429 396 I CB 0.439 38.477 38.000 0.064 0.000 1.371 396 I HN 0.345 nan 8.210 nan 0.000 0.569 397 A N 7.927 130.746 122.820 -0.002 0.000 2.437 397 A HA 0.229 4.549 4.320 -0.000 0.000 0.303 397 A C 0.551 178.126 177.584 -0.015 0.000 1.324 397 A CA -0.440 51.591 52.037 -0.010 0.000 0.983 397 A CB -0.054 18.937 19.000 -0.015 0.000 1.142 397 A HN 0.801 nan 8.150 nan 0.000 0.541 398 R N 1.957 122.449 120.500 -0.014 0.000 2.523 398 R HA 0.143 4.483 4.340 -0.000 0.000 0.281 398 R C 1.467 177.751 176.300 -0.026 0.000 0.969 398 R CA 1.758 57.846 56.100 -0.019 0.000 1.093 398 R CB -0.026 30.263 30.300 -0.018 0.000 0.917 398 R HN 1.588 nan 8.270 nan 0.000 0.408 399 G N 3.235 112.010 108.800 -0.042 0.000 2.267 399 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.257 399 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.257 399 G C 0.705 175.574 174.900 -0.052 0.000 0.998 399 G CA 0.810 45.882 45.100 -0.047 0.000 0.620 399 G HN 0.653 nan 8.290 nan 0.000 0.529 400 K N -0.857 119.516 120.400 -0.044 0.000 2.309 400 K HA 0.172 4.492 4.320 -0.000 0.000 0.210 400 K C 1.385 177.962 176.600 -0.039 0.000 1.114 400 K CA 0.410 56.675 56.287 -0.037 0.000 0.912 400 K CB 0.064 32.549 32.500 -0.024 0.000 1.198 400 K HN 0.076 nan 8.250 nan 0.000 0.471 401 D N 0.860 121.241 120.400 -0.032 0.000 2.317 401 D HA 0.047 4.687 4.640 -0.000 0.000 0.211 401 D C 0.071 176.355 176.300 -0.027 0.000 0.966 401 D CA 0.563 54.553 54.000 -0.015 0.000 0.876 401 D CB 0.444 41.240 40.800 -0.006 0.000 0.927 401 D HN 0.194 nan 8.370 nan 0.000 0.519 402 A N 0.461 123.222 122.820 -0.098 0.000 2.539 402 A HA 0.568 4.888 4.320 -0.000 0.000 0.296 402 A C -2.671 174.706 177.584 -0.346 0.000 1.073 402 A CA -1.341 50.530 52.037 -0.277 0.000 0.700 402 A CB 1.688 20.563 19.000 -0.208 0.000 1.296 402 A HN -0.219 nan 8.150 nan 0.000 0.405 403 P HA 0.066 nan 4.420 nan 0.000 0.270 403 P C 0.841 178.019 177.300 -0.203 0.000 1.223 403 P CA 0.388 63.276 63.100 -0.354 0.000 0.785 403 P CB 0.790 32.244 31.700 -0.410 0.000 0.923 404 S N 0.655 116.301 115.700 -0.090 0.000 2.465 404 S HA -0.171 4.299 4.470 -0.000 0.000 0.241 404 S C 1.218 175.835 174.600 0.027 0.000 1.000 404 S CA 1.040 59.229 58.200 -0.018 0.000 0.964 404 S CB -1.076 62.132 63.200 0.014 0.000 0.763 404 S HN 0.668 nan 8.310 nan 0.000 0.512 405 N N 1.809 120.526 118.700 0.029 0.000 2.276 405 N HA 0.328 5.068 4.740 -0.000 0.000 0.212 405 N C 0.139 175.738 175.510 0.147 0.000 1.127 405 N CA 0.199 53.311 53.050 0.104 0.000 0.834 405 N CB -0.053 38.506 38.487 0.121 0.000 1.014 405 N HN 0.459 nan 8.380 nan 0.000 0.491 406 A N 0.234 123.107 122.820 0.087 0.000 2.272 406 A HA 0.564 4.884 4.320 -0.000 0.000 0.275 406 A C -0.251 177.456 177.584 0.205 0.000 1.096 406 A CA -0.485 51.664 52.037 0.186 0.000 0.822 406 A CB 0.952 20.006 19.000 0.090 0.000 1.088 406 A HN 0.067 nan 8.150 nan 0.000 0.495 407 V N 1.488 121.556 119.914 0.257 0.000 2.384 407 V HA 0.323 4.443 4.120 -0.000 0.000 0.287 407 V C -0.447 175.772 176.094 0.208 0.000 1.020 407 V CA -0.214 62.238 62.300 0.254 0.000 0.850 407 V CB 1.116 33.136 31.823 0.330 0.000 0.987 407 V HN 0.653 nan 8.190 nan 0.000 0.436 408 L N 6.421 127.745 121.223 0.168 0.000 2.272 408 L HA 0.563 4.903 4.340 -0.000 0.000 0.289 408 L C -0.453 176.496 176.870 0.131 0.000 1.032 408 L CA -0.363 54.555 54.840 0.130 0.000 0.810 408 L CB 1.156 43.260 42.059 0.075 0.000 1.205 408 L HN 0.374 nan 8.230 nan 0.000 0.422 409 L N 3.418 124.719 121.223 0.131 0.000 2.325 409 L HA 0.449 4.789 4.340 -0.000 0.000 0.279 409 L C -0.103 176.805 176.870 0.064 0.000 1.054 409 L CA -0.688 54.219 54.840 0.112 0.000 0.804 409 L CB 1.359 43.487 42.059 0.114 0.000 1.200 409 L HN 0.595 nan 8.230 nan 0.000 0.436 410 N N 1.969 120.686 118.700 0.028 0.000 2.487 410 N HA 0.412 5.152 4.740 -0.000 0.000 0.292 410 N C -0.697 174.820 175.510 0.012 0.000 1.108 410 N CA -0.490 52.569 53.050 0.015 0.000 0.956 410 N CB 1.917 40.396 38.487 -0.014 0.000 1.176 410 N HN 0.484 nan 8.380 nan 0.000 0.484 411 E N 0.282 120.492 120.200 0.017 0.000 2.367 411 E HA 0.441 4.791 4.350 -0.000 0.000 0.273 411 E C -0.844 175.758 176.600 0.004 0.000 0.903 411 E CA -0.554 55.847 56.400 0.001 0.000 0.764 411 E CB 2.181 31.879 29.700 -0.004 0.000 1.252 411 E HN 0.335 nan 8.360 nan 0.000 0.446 412 T N 2.236 116.785 114.554 -0.009 0.000 2.829 412 T HA 0.737 5.087 4.350 -0.000 0.000 0.280 412 T C 0.205 174.901 174.700 -0.007 0.000 0.999 412 T CA -0.535 61.562 62.100 -0.005 0.000 0.983 412 T CB 0.604 69.465 68.868 -0.012 0.000 0.968 412 T HN 0.443 nan 8.240 nan 0.000 0.446 413 I N -0.673 119.900 120.570 0.004 0.000 3.354 413 I HA 0.971 5.141 4.170 -0.000 0.000 0.316 413 I C -0.814 175.306 176.117 0.005 0.000 1.182 413 I CA -1.871 59.433 61.300 0.006 0.000 0.942 413 I CB 1.738 39.753 38.000 0.025 0.000 1.299 413 I HN 0.621 nan 8.210 nan 0.000 0.473 414 A N 1.605 124.428 122.820 0.005 0.000 2.306 414 A HA 0.621 4.941 4.320 -0.000 0.000 0.314 414 A C -0.777 176.827 177.584 0.033 0.000 1.164 414 A CA -0.375 51.655 52.037 -0.011 0.000 0.822 414 A CB 0.441 19.413 19.000 -0.046 0.000 1.130 414 A HN 0.852 nan 8.150 nan 0.000 0.496 415 D N 0.130 120.544 120.400 0.024 0.000 2.423 415 D HA 0.136 4.776 4.640 -0.000 0.000 0.255 415 D C 0.733 177.102 176.300 0.115 0.000 1.174 415 D CA -0.146 53.904 54.000 0.083 0.000 1.008 415 D CB 0.028 40.865 40.800 0.061 0.000 1.101 415 D HN 0.633 nan 8.370 nan 0.000 0.516 416 Y N -1.785 118.595 120.300 0.132 0.000 2.556 416 Y HA -0.042 4.508 4.550 -0.000 0.000 0.290 416 Y C 1.575 177.648 175.900 0.287 0.000 1.149 416 Y CA 1.260 59.474 58.100 0.191 0.000 1.329 416 Y CB -1.044 37.502 38.460 0.143 0.000 0.975 416 Y HN 0.378 nan 8.280 nan 0.000 0.561 417 T N -3.975 110.370 114.554 -0.348 0.000 3.069 417 T HA 0.476 4.826 4.350 -0.000 0.000 0.252 417 T C 1.517 176.228 174.700 0.017 0.000 1.053 417 T CA 0.177 62.192 62.100 -0.142 0.000 0.964 417 T CB -0.180 68.491 68.868 -0.327 0.000 1.005 417 T HN 0.865 nan 8.240 nan 0.000 0.532 418 G N 0.719 109.454 108.800 -0.108 0.000 2.141 418 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.242 418 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.242 418 G C -0.063 174.684 174.900 -0.256 0.000 0.982 418 G CA -0.076 44.770 45.100 -0.425 0.000 0.662 418 G HN 0.702 nan 8.290 nan 0.000 0.527 419 V N 1.715 121.538 119.914 -0.151 0.000 2.427 419 V HA 0.488 4.608 4.120 -0.000 0.000 0.286 419 V C -1.611 174.438 176.094 -0.074 0.000 1.034 419 V CA -1.791 60.446 62.300 -0.105 0.000 0.893 419 V CB 1.703 33.477 31.823 -0.082 0.000 0.982 419 V HN 0.091 nan 8.190 nan 0.000 0.452 420 P HA 0.127 nan 4.420 nan 0.000 0.266 420 P C -0.594 176.693 177.300 -0.021 0.000 1.195 420 P CA 0.182 63.258 63.100 -0.041 0.000 0.768 420 P CB 0.363 32.039 31.700 -0.039 0.000 0.838 421 M N 2.086 121.683 119.600 -0.005 0.000 2.204 421 M HA 0.256 4.736 4.480 -0.000 0.000 0.293 421 M C -0.703 175.605 176.300 0.014 0.000 0.994 421 M CA -0.540 54.767 55.300 0.011 0.000 0.925 421 M CB 1.707 34.325 32.600 0.030 0.000 1.577 421 M HN 0.236 nan 8.290 nan 0.000 0.439 422 E N 5.244 125.451 120.200 0.011 0.000 2.115 422 E HA 0.384 4.734 4.350 -0.000 0.000 0.282 422 E C -1.274 175.339 176.600 0.022 0.000 0.987 422 E CA -0.430 55.977 56.400 0.010 0.000 0.797 422 E CB 0.913 30.613 29.700 0.000 0.000 1.086 422 E HN 0.670 nan 8.360 nan 0.000 0.397 423 I N 7.932 128.522 120.570 0.034 0.000 2.301 423 I HA 0.228 4.398 4.170 -0.000 0.000 0.292 423 I C -1.970 174.173 176.117 0.043 0.000 1.046 423 I CA -2.168 59.162 61.300 0.051 0.000 1.282 423 I CB 0.848 38.898 38.000 0.083 0.000 1.409 423 I HN 0.347 nan 8.210 nan 0.000 0.484 424 P HA 0.120 nan 4.420 nan 0.000 0.276 424 P C -0.483 176.838 177.300 0.035 0.000 1.230 424 P CA -0.301 62.810 63.100 0.018 0.000 0.776 424 P CB 0.549 32.251 31.700 0.003 0.000 0.888 425 R N 1.184 121.704 120.500 0.033 0.000 3.405 425 R HA -0.231 4.109 4.340 -0.000 0.000 0.258 425 R C 1.122 177.480 176.300 0.096 0.000 1.030 425 R CA 0.492 56.625 56.100 0.056 0.000 0.691 425 R CB -2.555 27.766 30.300 0.035 0.000 1.093 425 R HN 0.588 nan 8.270 nan 0.000 0.448 426 A N 0.260 123.149 122.820 0.115 0.000 1.969 426 A HA 0.086 4.406 4.320 -0.000 0.000 0.218 426 A C 1.025 178.766 177.584 0.262 0.000 1.169 426 A CA 0.971 53.119 52.037 0.185 0.000 0.635 426 A CB 0.281 19.374 19.000 0.154 0.000 0.810 426 A HN 0.381 nan 8.150 nan 0.000 0.445 427 I N -1.422 119.264 120.570 0.193 0.000 2.619 427 I HA 0.527 4.697 4.170 -0.000 0.000 0.292 427 I C -0.350 175.875 176.117 0.180 0.000 1.100 427 I CA -0.723 60.706 61.300 0.214 0.000 1.043 427 I CB 2.257 40.339 38.000 0.136 0.000 1.239 427 I HN 0.109 nan 8.210 nan 0.000 0.420 428 A N 5.711 128.663 122.820 0.220 0.000 2.317 428 A HA 0.834 5.154 4.320 -0.000 0.000 0.327 428 A C -0.893 176.826 177.584 0.225 0.000 1.178 428 A CA -0.497 51.685 52.037 0.242 0.000 0.817 428 A CB 1.287 20.486 19.000 0.332 0.000 1.189 428 A HN 0.420 nan 8.150 nan 0.000 0.489 429 V N 3.112 123.127 119.914 0.168 0.000 2.487 429 V HA 0.740 4.860 4.120 -0.000 0.000 0.298 429 V C -1.027 175.106 176.094 0.066 0.000 1.028 429 V CA -0.257 62.001 62.300 -0.071 0.000 0.860 429 V CB 0.709 32.357 31.823 -0.290 0.000 0.991 429 V HN 0.884 nan 8.190 nan 0.000 0.427 430 F N 1.245 121.071 119.950 -0.208 0.000 2.665 430 F HA 0.702 5.229 4.527 -0.000 0.000 0.308 430 F C -0.771 174.946 175.800 -0.139 0.000 1.112 430 F CA -1.152 56.800 58.000 -0.080 0.000 0.972 430 F CB 1.473 40.475 39.000 0.004 0.000 1.295 430 F HN 0.472 nan 8.300 nan 0.000 0.440 431 E N 2.520 122.824 120.200 0.173 0.000 2.242 431 E HA 0.673 5.023 4.350 -0.000 0.000 0.275 431 E C -0.940 175.772 176.600 0.187 0.000 1.002 431 E CA -0.879 55.548 56.400 0.046 0.000 0.841 431 E CB 1.438 31.277 29.700 0.232 0.000 1.109 431 E HN 0.855 nan 8.360 nan 0.000 0.394 432 R N 2.690 123.258 120.500 0.114 0.000 2.740 432 R HA 0.252 4.592 4.340 -0.000 0.000 0.273 432 R C -1.530 174.855 176.300 0.141 0.000 0.998 432 R CA -0.965 55.238 56.100 0.171 0.000 0.900 432 R CB 0.598 31.011 30.300 0.188 0.000 1.223 432 R HN 0.545 nan 8.270 nan 0.000 0.466 433 Y N 1.481 121.814 120.300 0.055 0.000 2.377 433 Y HA 0.468 5.018 4.550 -0.000 0.000 0.330 433 Y C -0.539 175.361 175.900 0.001 0.000 1.108 433 Y CA 0.080 58.198 58.100 0.031 0.000 1.308 433 Y CB 1.331 39.805 38.460 0.024 0.000 1.216 433 Y HN 0.822 nan 8.280 nan 0.000 0.518 434 A N 5.588 128.008 122.820 -0.667 0.000 3.129 434 A HA 0.615 4.935 4.320 -0.000 0.000 0.282 434 A C 0.636 177.841 177.584 -0.631 0.000 0.948 434 A CA 0.058 51.796 52.037 -0.499 0.000 1.027 434 A CB -0.821 17.995 19.000 -0.307 0.000 1.123 434 A HN 1.759 nan 8.150 nan 0.000 0.485 435 G N 0.971 109.107 108.800 -1.107 0.000 2.698 435 G HA2 -0.132 3.827 3.960 -0.000 0.000 0.233 435 G HA3 -0.132 3.827 3.960 -0.000 0.000 0.233 435 G C -2.905 171.749 174.900 -0.410 0.000 1.352 435 G CA -0.350 44.413 45.100 -0.562 0.000 0.879 435 G HN 0.560 nan 8.290 nan 0.000 0.567 436 P HA 0.308 nan 4.420 nan 0.000 0.276 436 P C 0.439 177.672 177.300 -0.111 0.000 1.235 436 P CA -0.009 63.044 63.100 -0.079 0.000 0.772 436 P CB 1.712 33.410 31.700 -0.002 0.000 0.871 437 E N 3.918 124.016 120.200 -0.170 0.000 2.072 437 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 437 E C -0.030 176.546 176.600 -0.040 0.000 0.985 437 E CA 1.711 58.019 56.400 -0.154 0.000 0.801 437 E CB -0.334 29.207 29.700 -0.265 0.000 0.750 437 E HN 0.576 nan 8.360 nan 0.000 0.452 438 Y N -2.881 117.424 120.300 0.008 0.000 2.662 438 Y HA 0.613 5.163 4.550 -0.000 0.000 0.334 438 Y C -1.220 174.697 175.900 0.029 0.000 1.185 438 Y CA -1.773 56.335 58.100 0.013 0.000 1.074 438 Y CB 0.550 39.013 38.460 0.005 0.000 1.330 438 Y HN -0.123 nan 8.280 nan 0.000 0.458 439 K N 1.392 121.989 120.400 0.328 0.000 2.562 439 K HA 0.553 4.873 4.320 -0.000 0.000 0.267 439 K C -2.646 174.100 176.600 0.245 0.000 0.938 439 K CA -0.810 55.624 56.287 0.245 0.000 0.840 439 K CB 2.175 34.753 32.500 0.129 0.000 1.390 439 K HN 1.057 nan 8.250 nan 0.000 0.428 440 H N 1.977 121.103 119.070 0.093 0.000 3.096 440 H HA 0.243 4.799 4.556 -0.000 0.000 0.335 440 H C -1.828 173.521 175.328 0.036 0.000 0.990 440 H CA -0.309 55.766 56.048 0.044 0.000 1.393 440 H CB 1.757 31.526 29.762 0.013 0.000 1.742 440 H HN 0.566 nan 8.280 nan 0.000 0.501 441 Q N 3.804 123.297 119.800 -0.511 0.000 2.563 441 Q HA 0.247 4.587 4.340 -0.000 0.000 0.232 441 Q C -0.844 174.795 176.000 -0.601 0.000 1.106 441 Q CA -0.750 54.817 55.803 -0.393 0.000 0.913 441 Q CB 0.570 29.207 28.738 -0.169 0.000 1.175 441 Q HN 0.590 nan 8.270 nan 0.000 0.540 442 E N 2.966 122.790 120.200 -0.626 0.000 2.344 442 E HA 0.136 4.486 4.350 -0.000 0.000 0.270 442 E C -0.599 175.921 176.600 -0.132 0.000 1.021 442 E CA -0.383 55.833 56.400 -0.307 0.000 0.887 442 E CB 0.462 30.137 29.700 -0.042 0.000 0.997 442 E HN 0.693 nan 8.360 nan 0.000 0.429 443 M N 4.767 124.325 119.600 -0.069 0.000 2.286 443 M HA 0.133 4.613 4.480 -0.000 0.000 0.365 443 M C 1.100 177.385 176.300 -0.026 0.000 1.443 443 M CA 1.681 56.959 55.300 -0.037 0.000 0.951 443 M CB -0.504 32.090 32.600 -0.011 0.000 1.961 443 M HN 0.708 nan 8.290 nan 0.000 0.468 444 G N 2.554 111.338 108.800 -0.026 0.000 2.168 444 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.263 444 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.263 444 G C 0.042 174.932 174.900 -0.017 0.000 0.977 444 G CA 0.415 45.505 45.100 -0.017 0.000 0.659 444 G HN 0.707 nan 8.290 nan 0.000 0.533 445 Q N -0.306 119.477 119.800 -0.027 0.000 2.378 445 Q HA 0.613 4.953 4.340 -0.000 0.000 0.276 445 Q C -2.456 173.528 176.000 -0.028 0.000 1.083 445 Q CA -2.038 53.752 55.803 -0.022 0.000 0.856 445 Q CB 1.384 30.110 28.738 -0.020 0.000 1.383 445 Q HN 0.164 nan 8.270 nan 0.000 0.458 446 P HA 0.058 nan 4.420 nan 0.000 0.271 446 P C -0.161 177.128 177.300 -0.017 0.000 1.216 446 P CA -0.166 62.927 63.100 -0.013 0.000 0.771 446 P CB 0.453 32.152 31.700 -0.002 0.000 0.864 447 N N 2.007 120.695 118.700 -0.019 0.000 2.453 447 N HA 0.073 4.813 4.740 -0.000 0.000 0.253 447 N C -1.140 174.380 175.510 0.016 0.000 1.252 447 N CA 0.095 53.133 53.050 -0.019 0.000 0.917 447 N CB 0.494 38.973 38.487 -0.014 0.000 1.117 447 N HN 0.042 nan 8.380 nan 0.000 0.442 448 V N 1.909 121.848 119.914 0.041 0.000 2.443 448 V HA 0.381 4.501 4.120 -0.000 0.000 0.293 448 V C -0.650 175.526 176.094 0.137 0.000 1.021 448 V CA -0.504 61.858 62.300 0.103 0.000 0.848 448 V CB 1.285 33.192 31.823 0.140 0.000 0.998 448 V HN 0.681 nan 8.190 nan 0.000 0.424 449 S N 2.541 118.303 115.700 0.104 0.000 2.533 449 S HA 0.816 5.286 4.470 -0.000 0.000 0.271 449 S C -0.428 174.144 174.600 -0.048 0.000 1.143 449 S CA -0.727 57.505 58.200 0.054 0.000 0.891 449 S CB 2.415 65.634 63.200 0.032 0.000 1.105 449 S HN 0.937 nan 8.310 nan 0.000 0.468 450 T N -0.690 113.731 114.554 -0.222 0.000 2.909 450 T HA 0.666 5.016 4.350 -0.000 0.000 0.299 450 T C -0.948 173.623 174.700 -0.215 0.000 1.073 450 T CA -1.073 60.856 62.100 -0.285 0.000 0.999 450 T CB 1.472 70.003 68.868 -0.562 0.000 1.098 450 T HN 0.658 nan 8.240 nan 0.000 0.477 451 E N 1.810 121.957 120.200 -0.089 0.000 2.313 451 E HA 0.439 4.789 4.350 -0.000 0.000 0.272 451 E C -0.260 176.289 176.600 -0.084 0.000 1.038 451 E CA -1.124 55.271 56.400 -0.008 0.000 0.863 451 E CB 1.492 31.314 29.700 0.203 0.000 1.060 451 E HN 0.680 nan 8.360 nan 0.000 0.402 452 R N 1.655 122.059 120.500 -0.161 0.000 2.349 452 R HA 0.258 4.598 4.340 -0.000 0.000 0.299 452 R C -0.664 175.588 176.300 -0.079 0.000 1.027 452 R CA -0.589 55.434 56.100 -0.128 0.000 0.958 452 R CB 0.775 30.964 30.300 -0.185 0.000 1.047 452 R HN 0.491 nan 8.270 nan 0.000 0.468 453 R N 3.040 123.579 120.500 0.065 0.000 2.621 453 R HA 0.331 4.671 4.340 -0.000 0.000 0.292 453 R C -0.988 175.468 176.300 0.261 0.000 0.969 453 R CA -0.733 55.483 56.100 0.193 0.000 0.887 453 R CB 2.118 32.641 30.300 0.371 0.000 1.180 453 R HN 0.748 nan 8.270 nan 0.000 0.450 454 E N 1.562 121.806 120.200 0.074 0.000 2.256 454 E HA 0.377 4.727 4.350 -0.000 0.000 0.267 454 E C -1.001 175.364 176.600 -0.391 0.000 0.892 454 E CA -1.110 55.216 56.400 -0.123 0.000 0.775 454 E CB 2.620 32.117 29.700 -0.339 0.000 1.207 454 E HN 0.088 nan 8.360 nan 0.000 0.420 455 L N 3.026 123.810 121.223 -0.732 0.000 2.287 455 L HA 0.378 4.718 4.340 -0.000 0.000 0.287 455 L C -1.384 175.126 176.870 -0.601 0.000 1.022 455 L CA -0.608 53.634 54.840 -0.997 0.000 0.814 455 L CB 1.397 42.561 42.059 -1.492 0.000 1.217 455 L HN 0.295 nan 8.230 nan 0.000 0.420 456 V N 5.645 125.107 119.914 -0.754 0.000 2.483 456 V HA 0.500 4.620 4.120 -0.000 0.000 0.295 456 V C -0.367 175.392 176.094 -0.559 0.000 1.035 456 V CA -0.762 61.107 62.300 -0.717 0.000 0.896 456 V CB 1.840 32.940 31.823 -1.204 0.000 0.986 456 V HN 0.466 nan 8.190 nan 0.000 0.447 457 V N 5.521 125.320 119.914 -0.193 0.000 2.313 457 V HA 0.499 4.619 4.120 -0.000 0.000 0.278 457 V C 0.099 176.289 176.094 0.160 0.000 1.017 457 V CA -0.518 61.779 62.300 -0.004 0.000 0.823 457 V CB 1.146 33.014 31.823 0.074 0.000 1.010 457 V HN 0.878 nan 8.190 nan 0.000 0.443 458 R N 3.826 124.460 120.500 0.222 0.000 2.562 458 R HA 0.587 4.927 4.340 -0.000 0.000 0.298 458 R C -1.829 174.736 176.300 0.441 0.000 0.961 458 R CA -0.597 55.722 56.100 0.365 0.000 0.881 458 R CB 1.769 32.324 30.300 0.425 0.000 1.159 458 R HN 0.654 nan 8.270 nan 0.000 0.450 459 W N 6.504 127.973 121.300 0.282 0.000 2.998 459 W HA 0.544 5.204 4.660 -0.000 0.000 0.335 459 W C -1.930 174.767 176.519 0.297 0.000 1.110 459 W CA -0.776 56.720 57.345 0.252 0.000 1.230 459 W CB 1.160 30.767 29.460 0.244 0.000 1.405 459 W HN 0.414 nan 8.180 nan 0.000 0.493 460 I N 5.236 125.585 120.570 -0.370 0.000 2.509 460 I HA 0.458 4.627 4.170 -0.000 0.000 0.293 460 I C -0.300 175.379 176.117 -0.730 0.000 1.020 460 I CA -0.965 60.059 61.300 -0.460 0.000 1.088 460 I CB 2.009 39.895 38.000 -0.190 0.000 1.267 460 I HN 0.373 nan 8.210 nan 0.000 0.430 461 S N 3.373 118.701 115.700 -0.621 0.000 2.541 461 S HA 0.652 5.122 4.470 -0.000 0.000 0.280 461 S C -0.849 173.657 174.600 -0.156 0.000 1.112 461 S CA -0.288 57.683 58.200 -0.383 0.000 0.925 461 S CB 1.853 64.778 63.200 -0.459 0.000 1.067 461 S HN 0.588 nan 8.310 nan 0.000 0.479 462 T N 3.403 117.904 114.554 -0.087 0.000 2.812 462 T HA 0.578 4.928 4.350 -0.000 0.000 0.282 462 T C -1.193 173.483 174.700 -0.040 0.000 0.990 462 T CA -0.458 61.578 62.100 -0.107 0.000 0.960 462 T CB 1.333 70.126 68.868 -0.125 0.000 0.948 462 T HN 0.471 nan 8.240 nan 0.000 0.438 463 V N 3.361 123.237 119.914 -0.062 0.000 2.380 463 V HA 0.699 4.819 4.120 -0.000 0.000 0.286 463 V C 1.011 177.022 176.094 -0.138 0.000 1.015 463 V CA 0.040 62.312 62.300 -0.047 0.000 0.834 463 V CB 0.523 32.340 31.823 -0.010 0.000 1.009 463 V HN 1.238 nan 8.190 nan 0.000 0.428 464 G N 5.829 114.631 108.800 0.003 0.000 2.596 464 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.304 464 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.304 464 G C 0.270 175.084 174.900 -0.143 0.000 1.189 464 G CA 0.565 45.739 45.100 0.123 0.000 0.986 464 G HN 0.975 nan 8.290 nan 0.000 0.548 468 Y N 1.140 121.271 120.300 -0.282 0.000 2.377 468 Y HA 0.670 5.220 4.550 -0.000 0.000 0.339 468 Y C 0.059 175.674 175.900 -0.474 0.000 1.011 468 Y CA -0.798 57.076 58.100 -0.378 0.000 1.093 468 Y CB 1.340 39.699 38.460 -0.168 0.000 1.201 468 Y HN 0.248 nan 8.280 nan 0.000 0.455 469 I N 4.073 124.331 120.570 -0.520 0.000 2.433 469 I HA 0.400 4.570 4.170 -0.000 0.000 0.292 469 I C -1.294 174.534 176.117 -0.483 0.000 1.001 469 I CA -0.662 60.422 61.300 -0.360 0.000 1.119 469 I CB 1.283 39.078 38.000 -0.342 0.000 1.289 469 I HN 0.360 nan 8.210 nan 0.000 0.438 470 F N 3.382 123.426 119.950 0.157 0.000 2.493 470 F HA 0.442 4.969 4.527 -0.000 0.000 0.329 470 F C -0.317 175.654 175.800 0.284 0.000 1.126 470 F CA -0.804 57.349 58.000 0.254 0.000 0.937 470 F CB 1.423 40.714 39.000 0.485 0.000 1.146 470 F HN 0.302 nan 8.300 nan 0.000 0.442 471 D N 2.244 122.789 120.400 0.242 0.000 2.375 471 D HA 0.267 4.906 4.640 -0.000 0.000 0.247 471 D C -1.358 174.850 176.300 -0.153 0.000 1.061 471 D CA -0.235 53.836 54.000 0.119 0.000 0.834 471 D CB 1.401 42.206 40.800 0.007 0.000 1.247 471 D HN 0.347 nan 8.370 nan 0.000 0.489 472 W N 2.518 123.727 121.300 -0.152 0.000 2.361 472 W HA 0.493 5.153 4.660 -0.000 0.000 0.314 472 W C -0.154 176.097 176.519 -0.446 0.000 1.041 472 W CA -0.609 56.526 57.345 -0.348 0.000 1.241 472 W CB 0.663 29.926 29.460 -0.329 0.000 1.279 472 W HN 0.126 nan 8.180 nan 0.000 0.436 473 I N 4.456 124.781 120.570 -0.408 0.000 2.354 473 I HA 0.299 4.468 4.170 -0.000 0.000 0.286 473 I C -0.794 175.064 176.117 -0.433 0.000 1.007 473 I CA -0.820 60.264 61.300 -0.360 0.000 1.167 473 I CB 0.424 38.280 38.000 -0.241 0.000 1.320 473 I HN 0.104 nan 8.210 nan 0.000 0.458 474 F N 4.773 124.518 119.950 -0.342 0.000 2.391 474 F HA 0.357 4.884 4.527 -0.000 0.000 0.359 474 F C 0.890 176.768 175.800 0.128 0.000 1.122 474 F CA -0.288 57.492 58.000 -0.367 0.000 1.120 474 F CB 0.323 38.813 39.000 -0.850 0.000 1.142 474 F HN 0.399 nan 8.300 nan 0.000 0.483 475 H N 2.774 122.060 119.070 0.360 0.000 2.481 475 H HA 0.117 4.673 4.556 -0.000 0.000 0.339 475 H C 0.765 176.578 175.328 0.808 0.000 1.131 475 H CA -0.404 55.919 56.048 0.458 0.000 1.301 475 H CB 1.485 31.418 29.762 0.284 0.000 1.476 475 H HN 0.737 nan 8.280 nan 0.000 0.529 476 E N 1.508 122.134 120.200 0.710 0.000 2.118 476 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 476 E C 1.322 178.161 176.600 0.398 0.000 0.992 476 E CA 1.028 57.709 56.400 0.468 0.000 0.804 476 E CB 0.015 29.804 29.700 0.148 0.000 0.741 476 E HN 0.675 nan 8.360 nan 0.000 0.458 477 N N -0.965 117.942 118.700 0.345 0.000 2.575 477 N HA -0.051 4.689 4.740 -0.000 0.000 0.192 477 N C 1.151 176.736 175.510 0.125 0.000 1.200 477 N CA 0.575 53.722 53.050 0.161 0.000 0.897 477 N CB 0.645 39.198 38.487 0.111 0.000 0.990 477 N HN 0.171 nan 8.380 nan 0.000 0.449 478 G N -0.247 108.820 108.800 0.445 0.000 2.238 478 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 478 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 478 G C 0.192 175.484 174.900 0.654 0.000 0.996 478 G CA 0.139 45.494 45.100 0.425 0.000 0.632 478 G HN 0.411 nan 8.290 nan 0.000 0.503 479 T N 1.238 116.031 114.554 0.398 0.000 2.899 479 T HA 0.622 4.972 4.350 -0.000 0.000 0.295 479 T C 0.256 175.004 174.700 0.079 0.000 1.033 479 T CA 0.438 62.599 62.100 0.101 0.000 1.084 479 T CB 1.589 70.210 68.868 -0.413 0.000 0.979 479 T HN 0.340 nan 8.240 nan 0.000 0.532 480 I N 1.304 121.826 120.570 -0.080 0.000 2.499 480 I HA 0.540 4.710 4.170 -0.000 0.000 0.288 480 I C 0.496 176.437 176.117 -0.294 0.000 1.048 480 I CA -0.723 60.416 61.300 -0.270 0.000 1.062 480 I CB 2.045 39.812 38.000 -0.389 0.000 1.238 480 I HN 0.719 nan 8.210 nan 0.000 0.426 481 G N 6.452 115.084 108.800 -0.280 0.000 2.432 481 G HA2 0.843 4.803 3.960 -0.000 0.000 0.331 481 G HA3 0.843 4.803 3.960 -0.000 0.000 0.331 481 G C -0.989 173.647 174.900 -0.440 0.000 1.170 481 G CA -0.486 44.460 45.100 -0.256 0.000 0.943 481 G HN 0.483 nan 8.290 nan 0.000 0.483 482 I N 1.495 121.752 120.570 -0.521 0.000 2.468 482 I HA 0.281 4.451 4.170 -0.000 0.000 0.284 482 I C -1.413 174.365 176.117 -0.564 0.000 1.038 482 I CA -0.725 60.062 61.300 -0.855 0.000 1.083 482 I CB 2.213 39.340 38.000 -1.454 0.000 1.223 482 I HN 0.224 nan 8.210 nan 0.000 0.443 483 D N 4.781 124.957 120.400 -0.373 0.000 2.340 483 D HA 0.790 5.430 4.640 -0.000 0.000 0.240 483 D C -0.663 175.604 176.300 -0.056 0.000 1.001 483 D CA -0.319 53.599 54.000 -0.136 0.000 0.888 483 D CB 2.433 43.216 40.800 -0.030 0.000 1.310 483 D HN 0.577 nan 8.370 nan 0.000 0.474 484 A N 0.581 123.334 122.820 -0.112 0.000 2.359 484 A HA 0.747 5.067 4.320 -0.000 0.000 0.303 484 A C -0.082 177.124 177.584 -0.631 0.000 1.066 484 A CA -0.639 51.065 52.037 -0.556 0.000 0.730 484 A CB 1.453 19.852 19.000 -1.002 0.000 1.211 484 A HN 0.481 nan 8.150 nan 0.000 0.439 485 G N 0.386 108.549 108.800 -1.061 0.000 2.448 485 G HA2 0.759 4.719 3.960 -0.000 0.000 0.324 485 G HA3 0.759 4.719 3.960 -0.000 0.000 0.324 485 G C -0.480 173.885 174.900 -0.892 0.000 1.203 485 G CA -0.004 44.181 45.100 -1.526 0.000 0.954 485 G HN 1.610 nan 8.290 nan 0.000 0.480 486 A N 0.798 123.179 122.820 -0.731 0.000 2.356 486 A HA 0.886 5.206 4.320 -0.000 0.000 0.310 486 A C -0.106 177.145 177.584 -0.555 0.000 1.075 486 A CA -0.370 51.336 52.037 -0.551 0.000 0.746 486 A CB 2.086 20.811 19.000 -0.457 0.000 1.221 486 A HN 1.071 nan 8.150 nan 0.000 0.443 487 T N 0.462 114.691 114.554 -0.541 0.000 2.618 487 T HA 0.859 5.209 4.350 -0.000 0.000 0.286 487 T C 0.300 174.739 174.700 -0.435 0.000 1.027 487 T CA 0.955 62.802 62.100 -0.421 0.000 1.063 487 T CB 0.991 69.635 68.868 -0.374 0.000 1.440 487 T HN 2.718 nan 8.240 nan 0.000 0.505 488 G N 0.479 109.039 108.800 -0.400 0.000 2.384 488 G HA2 0.091 4.051 3.960 -0.000 0.000 0.204 488 G HA3 0.091 4.051 3.960 -0.000 0.000 0.204 488 G C -1.637 172.988 174.900 -0.459 0.000 1.237 488 G CA -0.285 44.530 45.100 -0.474 0.000 1.060 488 G HN 0.798 nan 8.290 nan 0.000 0.514 489 I N 1.375 121.609 120.570 -0.560 0.000 2.404 489 I HA 0.416 4.586 4.170 -0.000 0.000 0.293 489 I C 0.740 176.681 176.117 -0.294 0.000 0.992 489 I CA -0.853 60.152 61.300 -0.493 0.000 1.149 489 I CB 1.090 38.614 38.000 -0.794 0.000 1.315 489 I HN 0.646 nan 8.210 nan 0.000 0.446 490 E N 3.208 123.441 120.200 0.055 0.000 2.392 490 E HA 0.341 4.691 4.350 -0.000 0.000 0.264 490 E C -0.053 176.649 176.600 0.170 0.000 1.024 490 E CA -0.363 56.130 56.400 0.154 0.000 0.903 490 E CB 1.022 30.892 29.700 0.283 0.000 0.963 490 E HN 0.705 nan 8.360 nan 0.000 0.432 491 A N 3.067 125.965 122.820 0.130 0.000 2.396 491 A HA 0.308 4.627 4.320 -0.000 0.000 0.279 491 A C 0.010 177.838 177.584 0.407 0.000 1.165 491 A CA -0.501 51.685 52.037 0.248 0.000 0.824 491 A CB -0.191 18.898 19.000 0.147 0.000 1.100 491 A HN 0.385 nan 8.150 nan 0.000 0.516 492 V N 0.666 120.846 119.914 0.443 0.000 3.019 492 V HA 0.755 4.874 4.120 -0.000 0.000 0.317 492 V C -0.248 176.134 176.094 0.480 0.000 1.094 492 V CA -1.093 61.383 62.300 0.294 0.000 1.000 492 V CB 1.654 33.434 31.823 -0.072 0.000 1.060 492 V HN 0.890 nan 8.190 nan 0.000 0.443 493 K N 1.673 122.221 120.400 0.246 0.000 2.182 493 K HA 0.700 5.020 4.320 -0.000 0.000 0.262 493 K C 0.121 176.801 176.600 0.132 0.000 0.957 493 K CA -0.207 56.259 56.287 0.298 0.000 0.842 493 K CB 1.550 34.003 32.500 -0.077 0.000 1.099 493 K HN 1.207 nan 8.250 nan 0.000 0.438 494 G N 2.218 111.115 108.800 0.162 0.000 2.390 494 G HA2 0.464 4.423 3.960 -0.000 0.000 0.270 494 G HA3 0.464 4.423 3.960 -0.000 0.000 0.270 494 G C -0.623 174.314 174.900 0.062 0.000 1.211 494 G CA -0.418 44.740 45.100 0.097 0.000 0.842 494 G HN 0.542 nan 8.290 nan 0.000 0.519 495 V N -0.080 119.854 119.914 0.033 0.000 3.130 495 V HA 0.595 4.715 4.120 -0.000 0.000 0.310 495 V C 0.688 176.795 176.094 0.022 0.000 1.158 495 V CA -1.145 61.165 62.300 0.017 0.000 1.029 495 V CB 2.024 33.837 31.823 -0.016 0.000 1.057 495 V HN 0.665 nan 8.190 nan 0.000 0.436 496 K N 1.261 121.670 120.400 0.015 0.000 2.228 496 K HA 0.395 4.715 4.320 -0.000 0.000 0.202 496 K C 1.073 177.683 176.600 0.016 0.000 1.051 496 K CA 1.092 57.390 56.287 0.018 0.000 0.960 496 K CB -0.036 32.472 32.500 0.013 0.000 0.743 496 K HN 0.961 nan 8.250 nan 0.000 0.458 497 A N 1.787 124.611 122.820 0.007 0.000 2.511 497 A HA 0.003 4.323 4.320 -0.000 0.000 0.242 497 A C 0.589 178.193 177.584 0.033 0.000 1.069 497 A CA 0.312 52.354 52.037 0.009 0.000 0.763 497 A CB 0.368 19.361 19.000 -0.011 0.000 1.001 497 A HN 0.194 nan 8.150 nan 0.000 0.498 498 K N -0.160 120.267 120.400 0.046 0.000 2.329 498 K HA 0.099 4.419 4.320 -0.000 0.000 0.198 498 K C 0.688 177.399 176.600 0.185 0.000 1.085 498 K CA 1.257 57.604 56.287 0.099 0.000 0.961 498 K CB 0.402 32.882 32.500 -0.033 0.000 0.971 498 K HN 0.920 nan 8.250 nan 0.000 0.502 499 T N -2.958 111.644 114.554 0.080 0.000 2.838 499 T HA 0.265 4.615 4.350 -0.000 0.000 0.292 499 T C 0.558 175.217 174.700 -0.068 0.000 1.113 499 T CA -0.832 61.293 62.100 0.041 0.000 1.008 499 T CB 1.250 70.156 68.868 0.063 0.000 1.259 499 T HN -0.253 nan 8.240 nan 0.000 0.520 500 M N 0.899 120.370 119.600 -0.214 0.000 2.659 500 M HA 0.062 4.542 4.480 -0.000 0.000 0.243 500 M C 1.049 177.211 176.300 -0.229 0.000 1.111 500 M CA 0.727 55.889 55.300 -0.230 0.000 1.070 500 M CB -1.320 31.129 32.600 -0.252 0.000 1.525 500 M HN 0.625 nan 8.290 nan 0.000 0.517 501 H N -0.505 118.569 119.070 0.006 0.000 2.563 501 H HA 0.198 4.754 4.556 -0.000 0.000 0.264 501 H C 0.005 175.331 175.328 -0.003 0.000 0.957 501 H CA -0.002 56.046 56.048 0.001 0.000 1.173 501 H CB 0.259 30.025 29.762 0.005 0.000 1.420 501 H HN 0.256 nan 8.280 nan 0.000 0.551 502 D N 0.989 121.436 120.400 0.079 0.000 2.339 502 D HA 0.008 4.648 4.640 -0.000 0.000 0.245 502 D C 1.260 177.573 176.300 0.021 0.000 1.115 502 D CA -0.119 53.908 54.000 0.045 0.000 0.917 502 D CB 1.463 42.280 40.800 0.027 0.000 1.192 502 D HN 0.206 nan 8.370 nan 0.000 0.428 503 E N 0.002 120.211 120.200 0.016 0.000 2.086 503 E HA -0.211 4.139 4.350 -0.000 0.000 0.200 503 E C 1.491 178.087 176.600 -0.006 0.000 1.012 503 E CA 1.860 58.263 56.400 0.005 0.000 0.812 503 E CB 0.032 29.734 29.700 0.004 0.000 0.743 503 E HN 0.566 nan 8.360 nan 0.000 0.453 504 T N -2.198 112.351 114.554 -0.009 0.000 3.107 504 T HA 0.368 4.718 4.350 -0.000 0.000 0.249 504 T C 1.712 176.391 174.700 -0.034 0.000 1.096 504 T CA 0.376 62.464 62.100 -0.020 0.000 1.012 504 T CB 0.424 69.284 68.868 -0.013 0.000 0.977 504 T HN 0.162 nan 8.240 nan 0.000 0.527 505 A N 2.650 125.450 122.820 -0.033 0.000 1.917 505 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 505 A C 2.345 179.885 177.584 -0.073 0.000 1.182 505 A CA 2.125 54.132 52.037 -0.051 0.000 0.633 505 A CB -0.757 18.212 19.000 -0.053 0.000 0.819 505 A HN 0.617 nan 8.150 nan 0.000 0.448 506 K N -0.757 119.603 120.400 -0.068 0.000 2.057 506 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 506 K C 1.296 177.825 176.600 -0.118 0.000 1.050 506 K CA 1.697 57.931 56.287 -0.088 0.000 0.935 506 K CB -0.170 32.287 32.500 -0.071 0.000 0.715 506 K HN 0.405 nan 8.250 nan 0.000 0.439 507 D N 0.900 121.241 120.400 -0.099 0.000 2.149 507 D HA -0.115 4.525 4.640 -0.000 0.000 0.201 507 D C 1.368 177.587 176.300 -0.136 0.000 0.972 507 D CA 0.910 54.839 54.000 -0.119 0.000 0.835 507 D CB -0.179 40.580 40.800 -0.069 0.000 0.966 507 D HN 0.262 nan 8.370 nan 0.000 0.476 508 D N -0.030 120.311 120.400 -0.099 0.000 2.178 508 D HA -0.094 4.546 4.640 -0.000 0.000 0.201 508 D C 1.722 177.945 176.300 -0.129 0.000 0.980 508 D CA 1.162 55.108 54.000 -0.091 0.000 0.842 508 D CB -0.166 40.595 40.800 -0.064 0.000 0.948 508 D HN 0.294 nan 8.370 nan 0.000 0.472 509 T N -2.545 111.917 114.554 -0.153 0.000 3.223 509 T HA 0.203 4.553 4.350 -0.000 0.000 0.259 509 T C 1.427 175.983 174.700 -0.239 0.000 1.015 509 T CA -0.475 61.524 62.100 -0.169 0.000 0.908 509 T CB 0.523 69.309 68.868 -0.136 0.000 1.054 509 T HN -0.037 nan 8.240 nan 0.000 0.567 510 R N 0.277 120.551 120.500 -0.376 0.000 2.115 510 R HA -0.017 4.323 4.340 -0.000 0.000 0.230 510 R C 0.450 176.361 176.300 -0.650 0.000 1.111 510 R CA 1.278 57.016 56.100 -0.604 0.000 0.976 510 R CB -0.075 29.627 30.300 -0.998 0.000 0.870 510 R HN 0.566 nan 8.270 nan 0.000 0.445 511 Y N -1.334 118.884 120.300 -0.137 0.000 2.636 511 Y HA 0.504 5.054 4.550 -0.000 0.000 0.260 511 Y C 0.449 176.243 175.900 -0.178 0.000 1.177 511 Y CA -0.058 57.950 58.100 -0.154 0.000 1.209 511 Y CB 1.375 39.733 38.460 -0.170 0.000 1.166 511 Y HN 0.128 nan 8.280 nan 0.000 0.531 512 G N -0.908 107.835 108.800 -0.093 0.000 2.387 512 G HA2 0.336 4.296 3.960 -0.000 0.000 0.294 512 G HA3 0.336 4.296 3.960 -0.000 0.000 0.294 512 G C -1.222 173.600 174.900 -0.129 0.000 1.509 512 G CA -0.983 44.047 45.100 -0.116 0.000 0.806 512 G HN -0.178 nan 8.290 nan 0.000 0.546 513 T N 0.781 115.262 114.554 -0.122 0.000 2.907 513 T HA 0.362 4.712 4.350 -0.000 0.000 0.298 513 T C 0.288 174.911 174.700 -0.130 0.000 1.017 513 T CA -0.115 61.918 62.100 -0.111 0.000 1.118 513 T CB 1.403 70.219 68.868 -0.086 0.000 0.948 513 T HN 0.567 nan 8.240 nan 0.000 0.531 514 L N 5.527 126.678 121.223 -0.121 0.000 2.433 514 L HA 0.303 4.643 4.340 -0.000 0.000 0.284 514 L C 1.012 177.795 176.870 -0.145 0.000 1.120 514 L CA 0.047 54.807 54.840 -0.133 0.000 0.879 514 L CB -0.480 41.517 42.059 -0.103 0.000 1.232 514 L HN 0.725 nan 8.230 nan 0.000 0.454 515 I N -0.131 120.312 120.570 -0.212 0.000 3.860 515 I HA 0.374 4.544 4.170 -0.000 0.000 0.319 515 I C -0.072 175.902 176.117 -0.238 0.000 1.279 515 I CA 0.174 61.351 61.300 -0.205 0.000 1.220 515 I CB 0.188 38.069 38.000 -0.199 0.000 1.027 515 I HN 0.454 nan 8.210 nan 0.000 0.428 516 D N -0.186 120.035 120.400 -0.299 0.000 2.639 516 D HA 0.308 4.948 4.640 -0.000 0.000 0.271 516 D C -1.075 175.117 176.300 -0.179 0.000 1.254 516 D CA -0.533 53.317 54.000 -0.250 0.000 0.810 516 D CB 1.396 42.070 40.800 -0.209 0.000 1.351 516 D HN 0.156 nan 8.370 nan 0.000 0.427 517 H N 0.994 120.068 119.070 0.006 0.000 3.004 517 H HA 0.177 4.733 4.556 -0.000 0.000 0.316 517 H C 0.355 175.683 175.328 -0.001 0.000 1.014 517 H CA 0.730 56.783 56.048 0.009 0.000 1.454 517 H CB -0.032 29.756 29.762 0.043 0.000 1.472 517 H HN 0.369 nan 8.280 nan 0.000 0.571 518 N N 0.947 119.710 118.700 0.105 0.000 2.753 518 N HA -0.201 4.539 4.740 -0.000 0.000 0.251 518 N C -1.122 174.385 175.510 -0.004 0.000 1.097 518 N CA 0.754 53.836 53.050 0.052 0.000 0.786 518 N CB -0.916 37.623 38.487 0.086 0.000 1.137 518 N HN 0.472 nan 8.380 nan 0.000 0.566 519 I N 0.489 121.007 120.570 -0.086 0.000 2.478 519 I HA 0.372 4.542 4.170 -0.000 0.000 0.287 519 I C -0.564 175.397 176.117 -0.259 0.000 1.042 519 I CA -0.923 60.255 61.300 -0.203 0.000 1.067 519 I CB 1.920 39.689 38.000 -0.385 0.000 1.233 519 I HN -0.231 nan 8.210 nan 0.000 0.431 520 V N 4.986 124.775 119.914 -0.208 0.000 2.459 520 V HA 0.515 4.635 4.120 -0.000 0.000 0.295 520 V C 0.526 176.488 176.094 -0.219 0.000 1.029 520 V CA -0.490 61.685 62.300 -0.209 0.000 0.874 520 V CB 1.883 33.603 31.823 -0.172 0.000 0.985 520 V HN 0.855 nan 8.190 nan 0.000 0.438 521 G N 2.800 111.475 108.800 -0.209 0.000 2.448 521 G HA2 0.359 4.319 3.960 -0.000 0.000 0.309 521 G HA3 0.359 4.319 3.960 -0.000 0.000 0.309 521 G C 0.203 175.037 174.900 -0.110 0.000 1.027 521 G CA -0.164 44.852 45.100 -0.139 0.000 1.104 521 G HN 0.642 nan 8.290 nan 0.000 0.428 522 T N 2.630 117.119 114.554 -0.108 0.000 2.871 522 T HA 0.105 4.455 4.350 -0.000 0.000 0.296 522 T C 1.142 175.914 174.700 0.121 0.000 0.998 522 T CA 0.393 62.425 62.100 -0.113 0.000 1.162 522 T CB 0.460 69.070 68.868 -0.429 0.000 0.947 522 T HN 0.439 nan 8.240 nan 0.000 0.536 523 T N 5.626 120.176 114.554 -0.007 0.000 2.946 523 T HA 0.182 4.532 4.350 -0.000 0.000 0.311 523 T C 0.293 174.958 174.700 -0.059 0.000 1.063 523 T CA 0.049 62.098 62.100 -0.085 0.000 1.139 523 T CB -0.088 68.717 68.868 -0.105 0.000 0.994 523 T HN 0.852 nan 8.240 nan 0.000 0.547 524 H N 0.272 119.146 119.070 -0.326 0.000 2.902 524 H HA 0.464 5.020 4.556 -0.000 0.000 0.297 524 H C -1.380 173.748 175.328 -0.333 0.000 1.406 524 H CA -1.090 54.665 56.048 -0.489 0.000 1.134 524 H CB 1.007 30.018 29.762 -1.252 0.000 1.833 524 H HN 0.525 nan 8.280 nan 0.000 0.527 525 Q N 0.011 119.647 119.800 -0.274 0.000 2.416 525 Q HA 0.386 4.726 4.340 -0.000 0.000 0.279 525 Q C -0.975 174.869 176.000 -0.259 0.000 1.101 525 Q CA -1.008 54.673 55.803 -0.205 0.000 0.830 525 Q CB 2.740 31.444 28.738 -0.057 0.000 1.402 525 Q HN 0.510 nan 8.270 nan 0.000 0.445 526 H N 1.097 120.138 119.070 -0.048 0.000 2.646 526 H HA 0.458 5.014 4.556 -0.000 0.000 0.328 526 H C -0.947 174.173 175.328 -0.346 0.000 0.998 526 H CA -0.272 55.668 56.048 -0.179 0.000 1.225 526 H CB 0.865 30.545 29.762 -0.137 0.000 1.457 526 H HN 0.442 nan 8.280 nan 0.000 0.505 527 I N 4.613 125.010 120.570 -0.289 0.000 2.410 527 I HA 0.192 4.362 4.170 -0.000 0.000 0.286 527 I C -0.898 175.095 176.117 -0.206 0.000 1.009 527 I CA -0.678 60.521 61.300 -0.169 0.000 1.111 527 I CB 0.983 38.963 38.000 -0.033 0.000 1.262 527 I HN 0.357 nan 8.210 nan 0.000 0.443 528 Y N 4.261 124.647 120.300 0.142 0.000 2.420 528 Y HA 0.470 5.020 4.550 -0.000 0.000 0.334 528 Y C 0.069 175.921 175.900 -0.080 0.000 1.094 528 Y CA -0.930 57.159 58.100 -0.017 0.000 1.126 528 Y CB 1.505 39.922 38.460 -0.071 0.000 1.217 528 Y HN 0.504 nan 8.280 nan 0.000 0.462 529 N N 1.368 119.980 118.700 -0.146 0.000 2.352 529 N HA 0.533 5.273 4.740 -0.000 0.000 0.291 529 N C -2.158 173.140 175.510 -0.354 0.000 1.040 529 N CA -0.457 52.520 53.050 -0.120 0.000 0.864 529 N CB 0.910 39.320 38.487 -0.129 0.000 1.440 529 N HN 0.358 nan 8.380 nan 0.000 0.483 530 F N 1.649 121.711 119.950 0.186 0.000 2.427 530 F HA 0.452 4.979 4.527 -0.000 0.000 0.346 530 F C 0.710 176.545 175.800 0.058 0.000 1.120 530 F CA -0.798 57.272 58.000 0.117 0.000 1.033 530 F CB 1.426 40.449 39.000 0.038 0.000 1.126 530 F HN 0.294 nan 8.300 nan 0.000 0.462 531 R N 4.810 125.355 120.500 0.074 0.000 2.207 531 R HA 0.639 4.978 4.340 -0.000 0.000 0.334 531 R C -1.730 174.424 176.300 -0.244 0.000 1.013 531 R CA -0.429 55.424 56.100 -0.412 0.000 0.858 531 R CB 0.432 30.303 30.300 -0.714 0.000 1.094 531 R HN 0.802 nan 8.270 nan 0.000 0.457 532 L N 4.479 125.535 121.223 -0.278 0.000 2.401 532 L HA 0.263 4.603 4.340 -0.000 0.000 0.263 532 L C -0.527 176.260 176.870 -0.140 0.000 1.004 532 L CA -0.820 53.945 54.840 -0.125 0.000 0.881 532 L CB 1.655 43.701 42.059 -0.022 0.000 1.219 532 L HN 0.539 nan 8.230 nan 0.000 0.441 533 D N 4.128 124.464 120.400 -0.106 0.000 2.545 533 D HA 0.192 4.831 4.640 -0.000 0.000 0.227 533 D C -0.052 176.277 176.300 0.047 0.000 1.150 533 D CA 0.059 54.048 54.000 -0.018 0.000 1.046 533 D CB 0.183 41.021 40.800 0.064 0.000 1.098 533 D HN 0.337 nan 8.370 nan 0.000 0.502 534 L N 2.056 123.292 121.223 0.021 0.000 2.416 534 L HA 0.221 4.561 4.340 -0.000 0.000 0.272 534 L C 0.121 177.035 176.870 0.074 0.000 1.161 534 L CA 0.023 54.879 54.840 0.027 0.000 0.845 534 L CB 0.728 42.777 42.059 -0.016 0.000 1.119 534 L HN 0.126 nan 8.230 nan 0.000 0.464 535 D N 2.253 122.722 120.400 0.114 0.000 2.378 535 D HA 0.173 4.813 4.640 -0.000 0.000 0.265 535 D C -0.520 175.827 176.300 0.078 0.000 1.229 535 D CA -0.232 53.829 54.000 0.103 0.000 0.914 535 D CB 1.641 42.543 40.800 0.170 0.000 1.140 535 D HN 0.011 nan 8.370 nan 0.000 0.516 536 V N 2.659 122.629 119.914 0.093 0.000 2.382 536 V HA 0.002 4.122 4.120 -0.000 0.000 0.250 536 V C 0.976 177.203 176.094 0.221 0.000 1.069 536 V CA 0.135 62.552 62.300 0.194 0.000 1.130 536 V CB -0.018 31.947 31.823 0.237 0.000 1.165 536 V HN 0.571 nan 8.190 nan 0.000 0.483 537 D N 3.252 123.811 120.400 0.265 0.000 2.983 537 D HA -0.141 4.499 4.640 -0.000 0.000 0.225 537 D C 0.356 176.632 176.300 -0.039 0.000 1.174 537 D CA 1.802 55.864 54.000 0.104 0.000 0.831 537 D CB -0.972 39.815 40.800 -0.021 0.000 1.104 537 D HN 1.181 nan 8.370 nan 0.000 0.421 538 G N -1.359 107.400 108.800 -0.068 0.000 2.350 538 G HA2 0.167 4.127 3.960 -0.000 0.000 0.305 538 G HA3 0.167 4.127 3.960 -0.000 0.000 0.305 538 G C 0.065 174.914 174.900 -0.084 0.000 1.479 538 G CA 0.258 45.284 45.100 -0.124 0.000 0.949 538 G HN 0.063 nan 8.290 nan 0.000 0.651 539 E N -0.272 119.869 120.200 -0.098 0.000 2.031 539 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 539 E C 0.482 177.071 176.600 -0.017 0.000 0.994 539 E CA 0.754 57.122 56.400 -0.055 0.000 0.800 539 E CB -0.098 29.564 29.700 -0.063 0.000 0.752 539 E HN 0.397 nan 8.360 nan 0.000 0.447 540 N N 2.323 121.015 118.700 -0.014 0.000 2.399 540 N HA 0.068 4.808 4.740 -0.000 0.000 0.259 540 N C -0.833 174.687 175.510 0.017 0.000 1.160 540 N CA 0.262 53.315 53.050 0.006 0.000 0.946 540 N CB 0.573 39.061 38.487 0.001 0.000 1.156 540 N HN 0.158 nan 8.380 nan 0.000 0.489 541 N N 0.030 118.748 118.700 0.030 0.000 2.629 541 N HA 0.475 5.215 4.740 -0.000 0.000 0.279 541 N C -0.808 174.727 175.510 0.041 0.000 1.344 541 N CA -0.457 52.617 53.050 0.040 0.000 0.789 541 N CB 1.469 39.987 38.487 0.053 0.000 1.508 541 N HN 0.173 nan 8.380 nan 0.000 0.516 542 S N 0.119 115.842 115.700 0.039 0.000 2.564 542 S HA 0.482 4.952 4.470 -0.000 0.000 0.274 542 S C -1.311 173.304 174.600 0.026 0.000 1.124 542 S CA -0.570 57.651 58.200 0.034 0.000 0.869 542 S CB 1.983 65.199 63.200 0.027 0.000 1.105 542 S HN 0.432 nan 8.310 nan 0.000 0.472 543 L N 3.076 124.312 121.223 0.022 0.000 2.265 543 L HA 0.695 5.035 4.340 -0.000 0.000 0.288 543 L C -1.222 175.623 176.870 -0.043 0.000 1.058 543 L CA -0.058 54.784 54.840 0.002 0.000 0.809 543 L CB 0.710 42.784 42.059 0.025 0.000 1.179 543 L HN 0.454 nan 8.230 nan 0.000 0.429 544 V N 5.088 124.947 119.914 -0.090 0.000 2.540 544 V HA 0.815 4.935 4.120 -0.000 0.000 0.302 544 V C 0.130 176.065 176.094 -0.265 0.000 1.035 544 V CA -0.508 61.695 62.300 -0.163 0.000 0.873 544 V CB 1.458 33.202 31.823 -0.133 0.000 0.992 544 V HN 0.967 nan 8.190 nan 0.000 0.428 545 A N 5.779 128.325 122.820 -0.457 0.000 2.312 545 A HA 0.948 5.268 4.320 -0.000 0.000 0.326 545 A C -0.507 176.790 177.584 -0.480 0.000 1.172 545 A CA -0.553 51.148 52.037 -0.559 0.000 0.821 545 A CB 0.914 19.322 19.000 -0.987 0.000 1.166 545 A HN 0.834 nan 8.150 nan 0.000 0.493 546 M N 2.632 122.051 119.600 -0.302 0.000 2.090 546 M HA 0.249 4.729 4.480 -0.000 0.000 0.277 546 M C -1.720 174.523 176.300 -0.095 0.000 0.935 546 M CA -0.371 54.821 55.300 -0.180 0.000 0.966 546 M CB 1.926 34.415 32.600 -0.184 0.000 1.635 546 M HN 0.568 nan 8.290 nan 0.000 0.446 547 D N 5.010 125.406 120.400 -0.007 0.000 2.392 547 D HA 0.365 5.005 4.640 -0.000 0.000 0.228 547 D C -2.512 173.808 176.300 0.034 0.000 1.074 547 D CA -1.422 52.594 54.000 0.027 0.000 0.838 547 D CB 1.209 42.064 40.800 0.091 0.000 1.067 547 D HN 0.148 nan 8.370 nan 0.000 0.511 548 P HA 0.014 nan 4.420 nan 0.000 0.267 548 P C -0.329 176.987 177.300 0.026 0.000 1.209 548 P CA -0.200 62.918 63.100 0.030 0.000 0.763 548 P CB 0.760 32.478 31.700 0.030 0.000 0.816 549 V N 1.386 121.318 119.914 0.029 0.000 3.130 549 V HA 0.571 4.691 4.120 -0.000 0.000 0.310 549 V C -0.516 175.590 176.094 0.020 0.000 1.158 549 V CA -1.149 61.165 62.300 0.023 0.000 1.029 549 V CB 2.196 34.034 31.823 0.025 0.000 1.057 549 V HN 0.088 nan 8.190 nan 0.000 0.436 550 V N 2.333 122.256 119.914 0.015 0.000 2.383 550 V HA 0.513 4.633 4.120 -0.000 0.000 0.275 550 V C 0.187 176.287 176.094 0.011 0.000 1.036 550 V CA -0.262 62.045 62.300 0.013 0.000 0.889 550 V CB 0.908 32.737 31.823 0.010 0.000 0.985 550 V HN 0.950 nan 8.190 nan 0.000 0.459 551 K N 5.314 125.722 120.400 0.012 0.000 2.328 551 K HA 0.554 4.874 4.320 -0.000 0.000 0.246 551 K C -2.787 173.819 176.600 0.009 0.000 0.955 551 K CA -2.030 54.263 56.287 0.010 0.000 0.817 551 K CB 2.348 34.856 32.500 0.013 0.000 1.208 551 K HN 0.306 nan 8.250 nan 0.000 0.432 552 P HA -0.067 nan 4.420 nan 0.000 0.268 552 P C -0.943 176.361 177.300 0.006 0.000 1.205 552 P CA -0.026 63.078 63.100 0.006 0.000 0.771 552 P CB 0.354 32.057 31.700 0.004 0.000 0.858 553 N N 1.319 120.022 118.700 0.006 0.000 2.520 553 N HA 0.119 4.859 4.740 -0.000 0.000 0.273 553 N C 0.166 175.679 175.510 0.005 0.000 1.155 553 N CA -0.123 52.930 53.050 0.006 0.000 0.967 553 N CB 0.426 38.916 38.487 0.005 0.000 1.092 553 N HN 0.374 nan 8.380 nan 0.000 0.457 554 T N -0.326 114.232 114.554 0.006 0.000 3.170 554 T HA 0.308 4.658 4.350 -0.000 0.000 0.288 554 T C 0.737 175.440 174.700 0.005 0.000 0.992 554 T CA -0.340 61.763 62.100 0.005 0.000 0.909 554 T CB 0.459 69.330 68.868 0.005 0.000 1.133 554 T HN 0.440 nan 8.240 nan 0.000 0.530 555 A N 0.932 123.755 122.820 0.005 0.000 2.308 555 A HA 0.764 5.084 4.320 -0.000 0.000 0.217 555 A C 1.394 178.980 177.584 0.003 0.000 1.216 555 A CA 0.192 52.232 52.037 0.004 0.000 0.864 555 A CB -0.648 18.355 19.000 0.005 0.000 0.902 555 A HN 1.443 nan 8.150 nan 0.000 0.499 556 G N -1.997 106.805 108.800 0.003 0.000 2.712 556 G HA2 0.482 4.442 3.960 -0.000 0.000 0.683 556 G HA3 0.482 4.442 3.960 -0.000 0.000 0.683 556 G C 0.703 175.604 174.900 0.003 0.000 1.320 556 G CA -0.152 44.950 45.100 0.003 0.000 0.847 556 G HN 2.484 nan 8.290 nan 0.000 0.553 557 G N -1.288 107.514 108.800 0.002 0.000 2.756 557 G HA2 0.271 4.231 3.960 -0.000 0.000 0.678 557 G HA3 0.271 4.231 3.960 -0.000 0.000 0.678 557 G C -0.816 174.086 174.900 0.002 0.000 1.349 557 G CA 0.482 45.584 45.100 0.002 0.000 0.847 557 G HN 1.371 nan 8.290 nan 0.000 0.548 558 P HA 0.020 nan 4.420 nan 0.000 0.220 558 P C 1.044 178.346 177.300 0.003 0.000 1.148 558 P CA 0.619 63.721 63.100 0.003 0.000 0.803 558 P CB 0.108 31.810 31.700 0.003 0.000 0.782 559 R N 0.064 120.566 120.500 0.003 0.000 2.537 559 R HA 0.077 4.417 4.340 -0.000 0.000 0.280 559 R C 1.467 177.770 176.300 0.004 0.000 1.058 559 R CA 0.837 56.939 56.100 0.004 0.000 1.057 559 R CB -0.028 30.275 30.300 0.005 0.000 0.973 559 R HN 0.206 nan 8.270 nan 0.000 0.438 560 T N -2.500 112.056 114.554 0.004 0.000 3.037 560 T HA 0.030 4.380 4.350 -0.000 0.000 0.252 560 T C 0.880 175.583 174.700 0.005 0.000 1.073 560 T CA 0.345 62.448 62.100 0.004 0.000 1.091 560 T CB 0.205 69.075 68.868 0.004 0.000 0.935 560 T HN 0.525 nan 8.240 nan 0.000 0.488 561 S N 0.836 116.539 115.700 0.006 0.000 2.627 561 S HA 0.735 5.205 4.470 -0.000 0.000 0.283 561 S C -0.520 174.085 174.600 0.008 0.000 1.127 561 S CA -0.375 57.829 58.200 0.007 0.000 0.863 561 S CB 1.994 65.198 63.200 0.007 0.000 1.121 561 S HN 0.679 nan 8.310 nan 0.000 0.479 562 T N -1.363 113.197 114.554 0.010 0.000 2.887 562 T HA 0.702 5.052 4.350 -0.000 0.000 0.292 562 T C -0.689 174.019 174.700 0.015 0.000 1.087 562 T CA -1.005 61.102 62.100 0.012 0.000 1.009 562 T CB 1.200 70.075 68.868 0.012 0.000 1.203 562 T HN 0.687 nan 8.240 nan 0.000 0.518 563 M N 1.863 121.473 119.600 0.017 0.000 2.101 563 M HA 0.462 4.942 4.480 -0.000 0.000 0.340 563 M C -0.300 176.016 176.300 0.026 0.000 1.057 563 M CA -0.495 54.818 55.300 0.022 0.000 0.984 563 M CB 1.593 34.207 32.600 0.023 0.000 1.560 563 M HN 0.626 nan 8.290 nan 0.000 0.435 564 Q N 1.400 121.218 119.800 0.029 0.000 2.668 564 Q HA 0.815 5.155 4.340 -0.000 0.000 0.298 564 Q C -1.351 174.674 176.000 0.042 0.000 1.071 564 Q CA -1.127 54.697 55.803 0.035 0.000 0.789 564 Q CB 3.273 32.029 28.738 0.030 0.000 1.497 564 Q HN 0.488 nan 8.270 nan 0.000 0.460 565 V N 1.128 121.071 119.914 0.049 0.000 2.735 565 V HA 0.339 4.459 4.120 -0.000 0.000 0.310 565 V C -0.769 175.363 176.094 0.064 0.000 1.061 565 V CA -0.868 61.465 62.300 0.054 0.000 0.913 565 V CB 1.981 33.840 31.823 0.059 0.000 1.005 565 V HN 0.632 nan 8.190 nan 0.000 0.428 566 N N 3.624 122.373 118.700 0.082 0.000 2.485 566 N HA 0.274 5.014 4.740 -0.000 0.000 0.243 566 N C -0.759 174.859 175.510 0.179 0.000 0.987 566 N CA -0.099 53.031 53.050 0.134 0.000 0.940 566 N CB 1.584 40.171 38.487 0.166 0.000 1.122 566 N HN 0.775 nan 8.380 nan 0.000 0.509 567 Q N 3.479 123.371 119.800 0.153 0.000 2.282 567 Q HA 0.382 4.722 4.340 -0.000 0.000 0.260 567 Q C -1.620 174.499 176.000 0.198 0.000 0.964 567 Q CA -0.700 55.146 55.803 0.072 0.000 0.880 567 Q CB 1.081 29.834 28.738 0.025 0.000 1.286 567 Q HN 0.585 nan 8.270 nan 0.000 0.445 568 Y N -0.102 120.193 120.300 -0.007 0.000 2.573 568 Y HA 0.440 4.990 4.550 -0.000 0.000 0.328 568 Y C -1.576 174.324 175.900 -0.001 0.000 1.170 568 Y CA -1.500 56.599 58.100 -0.001 0.000 1.078 568 Y CB 0.393 38.853 38.460 -0.000 0.000 1.341 568 Y HN 0.521 nan 8.280 nan 0.000 0.459 569 N N 1.641 120.402 118.700 0.102 0.000 2.503 569 N HA 0.493 5.233 4.740 -0.000 0.000 0.267 569 N C -1.075 174.498 175.510 0.104 0.000 1.214 569 N CA -0.290 52.783 53.050 0.039 0.000 0.959 569 N CB 0.937 39.453 38.487 0.049 0.000 1.142 569 N HN 0.711 nan 8.380 nan 0.000 0.455 570 I N 0.852 121.452 120.570 0.050 0.000 2.371 570 I HA 0.251 4.421 4.170 -0.000 0.000 0.282 570 I C 1.283 177.441 176.117 0.068 0.000 1.031 570 I CA -0.376 60.974 61.300 0.084 0.000 1.180 570 I CB 1.355 39.385 38.000 0.051 0.000 1.336 570 I HN 0.706 nan 8.210 nan 0.000 0.467 571 G N 5.944 114.790 108.800 0.076 0.000 2.572 571 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.216 571 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.216 571 G C 0.400 175.338 174.900 0.063 0.000 1.133 571 G CA 0.017 45.155 45.100 0.064 0.000 0.791 571 G HN 0.708 nan 8.290 nan 0.000 0.538 572 N N -1.334 117.405 118.700 0.066 0.000 2.455 572 N HA 0.213 4.953 4.740 -0.000 0.000 0.278 572 N C 0.074 175.630 175.510 0.077 0.000 1.291 572 N CA -0.616 52.476 53.050 0.070 0.000 0.780 572 N CB 1.367 39.891 38.487 0.063 0.000 1.520 572 N HN -0.050 nan 8.380 nan 0.000 0.486 573 E N 0.063 120.319 120.200 0.093 0.000 2.130 573 E HA -0.223 4.127 4.350 -0.000 0.000 0.196 573 E C 1.309 177.964 176.600 0.093 0.000 0.998 573 E CA 1.539 58.008 56.400 0.116 0.000 0.806 573 E CB -0.005 29.781 29.700 0.143 0.000 0.738 573 E HN 0.522 nan 8.360 nan 0.000 0.459 574 Q N 0.575 120.418 119.800 0.072 0.000 2.119 574 Q HA -0.144 4.196 4.340 -0.000 0.000 0.201 574 Q C 1.542 177.543 176.000 0.003 0.000 0.972 574 Q CA 1.038 56.865 55.803 0.041 0.000 0.847 574 Q CB -0.062 28.703 28.738 0.045 0.000 0.903 574 Q HN 0.321 nan 8.270 nan 0.000 0.433 575 D N 0.454 120.868 120.400 0.023 0.000 2.234 575 D HA -0.018 4.622 4.640 -0.000 0.000 0.205 575 D C 1.527 177.830 176.300 0.005 0.000 0.962 575 D CA 0.922 54.934 54.000 0.019 0.000 0.855 575 D CB 0.038 40.867 40.800 0.049 0.000 0.951 575 D HN 0.193 nan 8.370 nan 0.000 0.500 576 A N 0.479 123.307 122.820 0.014 0.000 2.168 576 A HA 0.247 4.567 4.320 -0.000 0.000 0.215 576 A C 1.324 178.859 177.584 -0.081 0.000 1.152 576 A CA 0.585 52.629 52.037 0.012 0.000 0.716 576 A CB -0.166 18.877 19.000 0.072 0.000 0.794 576 A HN 0.144 nan 8.150 nan 0.000 0.465 577 A N 0.971 123.668 122.820 -0.206 0.000 2.415 577 A HA 0.534 4.854 4.320 -0.000 0.000 0.309 577 A C 0.124 177.422 177.584 -0.476 0.000 1.356 577 A CA -0.332 51.339 52.037 -0.609 0.000 0.998 577 A CB -0.396 18.118 19.000 -0.810 0.000 1.145 577 A HN 0.671 nan 8.150 nan 0.000 0.545 578 Q N 1.503 121.064 119.800 -0.399 0.000 2.648 578 Q HA 0.521 4.861 4.340 -0.000 0.000 0.300 578 Q C -1.194 174.750 176.000 -0.093 0.000 0.954 578 Q CA -1.388 54.299 55.803 -0.194 0.000 0.757 578 Q CB 0.872 29.568 28.738 -0.069 0.000 1.482 578 Q HN 0.257 nan 8.270 nan 0.000 0.437 579 K N 0.810 121.196 120.400 -0.022 0.000 2.326 579 K HA 0.304 4.624 4.320 -0.000 0.000 0.275 579 K C -1.041 175.636 176.600 0.128 0.000 1.018 579 K CA -0.052 56.263 56.287 0.047 0.000 0.962 579 K CB 0.245 32.758 32.500 0.023 0.000 0.953 579 K HN 0.572 nan 8.250 nan 0.000 0.475 580 F N 2.420 122.385 119.950 0.025 0.000 2.427 580 F HA 0.167 4.694 4.527 -0.000 0.000 0.346 580 F C -0.106 175.728 175.800 0.056 0.000 1.120 580 F CA -1.341 56.688 58.000 0.048 0.000 1.033 580 F CB 0.994 40.050 39.000 0.093 0.000 1.126 580 F HN 0.360 nan 8.300 nan 0.000 0.462 581 D N 8.558 128.556 120.400 -0.670 0.000 2.329 581 D HA 0.309 4.949 4.640 -0.000 0.000 0.232 581 D C -1.952 173.761 176.300 -0.977 0.000 1.088 581 D CA -2.589 51.095 54.000 -0.527 0.000 0.835 581 D CB 2.106 42.730 40.800 -0.293 0.000 1.078 581 D HN 0.285 nan 8.370 nan 0.000 0.495 582 P HA 0.004 nan 4.420 nan 0.000 0.231 582 P C 1.045 178.236 177.300 -0.181 0.000 1.158 582 P CA 0.425 63.319 63.100 -0.344 0.000 0.763 582 P CB 0.253 32.038 31.700 0.143 0.000 0.805 583 G N -0.467 108.216 108.800 -0.195 0.000 2.939 583 G HA2 0.026 3.986 3.960 -0.000 0.000 0.210 583 G HA3 0.026 3.986 3.960 -0.000 0.000 0.210 583 G C 0.647 175.490 174.900 -0.096 0.000 1.160 583 G CA 0.441 45.486 45.100 -0.091 0.000 0.770 583 G HN 0.419 nan 8.290 nan 0.000 0.543 584 T N -1.676 112.770 114.554 -0.180 0.000 2.937 584 T HA 0.737 5.087 4.350 -0.000 0.000 0.283 584 T C -0.446 174.212 174.700 -0.069 0.000 1.012 584 T CA -0.827 61.199 62.100 -0.122 0.000 0.997 584 T CB 2.289 71.073 68.868 -0.141 0.000 1.136 584 T HN -0.076 nan 8.240 nan 0.000 0.551 585 I N 0.743 121.269 120.570 -0.073 0.000 2.509 585 I HA 0.536 4.706 4.170 -0.000 0.000 0.293 585 I C -0.175 175.867 176.117 -0.125 0.000 1.020 585 I CA -1.125 60.109 61.300 -0.110 0.000 1.088 585 I CB 1.955 39.766 38.000 -0.316 0.000 1.267 585 I HN 0.399 nan 8.210 nan 0.000 0.430 586 R N 6.745 127.206 120.500 -0.066 0.000 2.451 586 R HA 0.650 4.990 4.340 -0.000 0.000 0.307 586 R C -1.364 174.857 176.300 -0.132 0.000 0.965 586 R CA -0.665 55.395 56.100 -0.067 0.000 0.865 586 R CB 1.759 32.104 30.300 0.075 0.000 1.174 586 R HN 0.554 nan 8.270 nan 0.000 0.455 587 L N 2.781 123.894 121.223 -0.183 0.000 2.333 587 L HA 0.565 4.904 4.340 -0.000 0.000 0.269 587 L C -0.429 176.412 176.870 -0.048 0.000 1.010 587 L CA -1.344 53.407 54.840 -0.148 0.000 0.818 587 L CB 1.833 43.735 42.059 -0.261 0.000 1.306 587 L HN 0.247 nan 8.230 nan 0.000 0.430 588 L N 1.574 122.811 121.223 0.023 0.000 2.277 588 L HA 0.476 4.816 4.340 -0.000 0.000 0.284 588 L C -0.438 176.482 176.870 0.084 0.000 1.028 588 L CA 0.415 55.290 54.840 0.058 0.000 0.835 588 L CB 1.061 43.168 42.059 0.080 0.000 1.215 588 L HN 0.522 nan 8.230 nan 0.000 0.425 589 S N 3.375 119.110 115.700 0.058 0.000 2.621 589 S HA 0.508 4.977 4.470 -0.000 0.000 0.302 589 S C -0.574 174.067 174.600 0.069 0.000 1.093 589 S CA -0.739 57.506 58.200 0.074 0.000 1.017 589 S CB 1.422 64.645 63.200 0.038 0.000 1.077 589 S HN 0.637 nan 8.310 nan 0.000 0.517 590 N N 2.536 121.280 118.700 0.072 0.000 2.501 590 N HA 0.287 5.027 4.740 -0.000 0.000 0.245 590 N C -2.063 173.460 175.510 0.023 0.000 0.974 590 N CA -2.182 50.895 53.050 0.044 0.000 0.941 590 N CB 1.317 39.830 38.487 0.042 0.000 1.122 590 N HN 0.215 nan 8.380 nan 0.000 0.507 591 P HA 0.015 nan 4.420 nan 0.000 0.242 591 P C -0.035 177.266 177.300 0.002 0.000 1.197 591 P CA 0.650 63.757 63.100 0.012 0.000 0.765 591 P CB 0.473 32.182 31.700 0.015 0.000 0.936 592 N N -0.175 118.521 118.700 -0.006 0.000 2.254 592 N HA 0.089 4.829 4.740 -0.000 0.000 0.190 592 N C 0.390 175.883 175.510 -0.030 0.000 1.107 592 N CA 0.313 53.353 53.050 -0.016 0.000 0.869 592 N CB 0.781 39.256 38.487 -0.019 0.000 0.983 592 N HN 0.297 nan 8.380 nan 0.000 0.487 593 K N 0.851 121.229 120.400 -0.036 0.000 2.464 593 K HA 0.394 4.713 4.320 -0.000 0.000 0.253 593 K C -0.767 175.795 176.600 -0.063 0.000 0.933 593 K CA -0.492 55.758 56.287 -0.062 0.000 0.801 593 K CB 2.506 34.949 32.500 -0.095 0.000 1.271 593 K HN -0.012 nan 8.250 nan 0.000 0.430 594 E N 0.851 121.008 120.200 -0.072 0.000 2.392 594 E HA 0.189 4.539 4.350 -0.000 0.000 0.269 594 E C -0.943 175.603 176.600 -0.090 0.000 0.924 594 E CA -1.022 55.341 56.400 -0.062 0.000 0.784 594 E CB 1.941 31.619 29.700 -0.036 0.000 1.292 594 E HN 0.681 nan 8.360 nan 0.000 0.447 595 N N -0.081 118.571 118.700 -0.081 0.000 2.418 595 N HA 0.142 4.882 4.740 -0.000 0.000 0.283 595 N C 0.889 176.363 175.510 -0.060 0.000 1.267 595 N CA -0.791 52.204 53.050 -0.092 0.000 0.975 595 N CB 1.135 39.572 38.487 -0.084 0.000 1.167 595 N HN 0.398 nan 8.380 nan 0.000 0.581 596 R N -0.948 119.521 120.500 -0.051 0.000 2.211 596 R HA -0.105 4.235 4.340 -0.000 0.000 0.240 596 R C 0.779 177.060 176.300 -0.032 0.000 1.144 596 R CA 1.545 57.622 56.100 -0.038 0.000 0.992 596 R CB -0.173 30.107 30.300 -0.033 0.000 0.869 596 R HN 0.622 nan 8.270 nan 0.000 0.462 597 M N -0.898 118.683 119.600 -0.032 0.000 2.431 597 M HA 0.259 4.739 4.480 -0.000 0.000 0.237 597 M C 0.862 177.152 176.300 -0.016 0.000 1.130 597 M CA 0.656 55.941 55.300 -0.025 0.000 1.002 597 M CB 1.209 33.792 32.600 -0.028 0.000 1.524 597 M HN 0.347 nan 8.290 nan 0.000 0.482 598 G N 0.564 109.353 108.800 -0.018 0.000 2.141 598 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.242 598 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.242 598 G C -0.047 174.853 174.900 0.001 0.000 0.982 598 G CA -0.102 44.992 45.100 -0.010 0.000 0.662 598 G HN 0.517 nan 8.290 nan 0.000 0.527 599 N N 1.500 120.203 118.700 0.004 0.000 2.456 599 N HA 0.531 5.271 4.740 -0.000 0.000 0.288 599 N C -2.657 172.870 175.510 0.028 0.000 1.059 599 N CA -1.788 51.282 53.050 0.032 0.000 0.946 599 N CB 1.648 40.165 38.487 0.050 0.000 1.150 599 N HN -0.032 nan 8.380 nan 0.000 0.479 600 P HA -0.065 nan 4.420 nan 0.000 0.264 600 P C -0.402 176.933 177.300 0.058 0.000 1.193 600 P CA -0.238 62.883 63.100 0.035 0.000 0.763 600 P CB 0.322 32.049 31.700 0.046 0.000 0.810 601 V N 1.699 121.620 119.914 0.012 0.000 2.585 601 V HA 0.423 4.543 4.120 -0.000 0.000 0.296 601 V C 0.074 176.280 176.094 0.185 0.000 1.035 601 V CA 0.388 62.700 62.300 0.020 0.000 1.084 601 V CB -0.067 31.630 31.823 -0.209 0.000 0.953 601 V HN 0.495 nan 8.190 nan 0.000 0.483 602 S N 3.012 118.881 115.700 0.283 0.000 2.671 602 S HA 0.760 5.230 4.470 -0.000 0.000 0.277 602 S C -1.507 173.242 174.600 0.248 0.000 1.165 602 S CA -0.507 57.862 58.200 0.282 0.000 0.822 602 S CB 1.709 65.028 63.200 0.199 0.000 1.150 602 S HN 0.748 nan 8.310 nan 0.000 0.479 603 Y N 1.584 121.947 120.300 0.106 0.000 2.391 603 Y HA 0.438 4.988 4.550 -0.000 0.000 0.341 603 Y C -0.044 175.876 175.900 0.034 0.000 0.965 603 Y CA -0.490 57.641 58.100 0.051 0.000 1.067 603 Y CB 1.747 40.190 38.460 -0.027 0.000 1.199 603 Y HN 0.601 nan 8.280 nan 0.000 0.450 604 Q N 4.447 124.318 119.800 0.119 0.000 2.274 604 Q HA 0.506 4.846 4.340 -0.000 0.000 0.256 604 Q C -1.343 174.693 176.000 0.060 0.000 0.927 604 Q CA -0.424 55.400 55.803 0.036 0.000 0.939 604 Q CB 0.706 29.503 28.738 0.098 0.000 1.201 604 Q HN 0.715 nan 8.270 nan 0.000 0.426 605 I N 5.796 126.369 120.570 0.004 0.000 2.304 605 I HA 0.271 4.441 4.170 -0.000 0.000 0.291 605 I C -0.387 175.633 176.117 -0.162 0.000 1.018 605 I CA -0.382 60.892 61.300 -0.044 0.000 1.260 605 I CB 0.997 38.976 38.000 -0.036 0.000 1.390 605 I HN 0.576 nan 8.210 nan 0.000 0.475 606 I N 8.664 129.116 120.570 -0.195 0.000 2.502 606 I HA 0.257 4.427 4.170 -0.000 0.000 0.276 606 I C -1.761 174.138 176.117 -0.363 0.000 1.057 606 I CA -1.524 59.573 61.300 -0.337 0.000 1.163 606 I CB 1.189 39.146 38.000 -0.072 0.000 1.288 606 I HN 0.356 nan 8.210 nan 0.000 0.479 607 P HA -0.151 nan 4.420 nan 0.000 0.222 607 P C -0.267 177.073 177.300 0.067 0.000 1.147 607 P CA 1.231 64.211 63.100 -0.199 0.000 0.790 607 P CB 0.003 31.587 31.700 -0.193 0.000 0.780 608 Y N -0.287 119.978 120.300 -0.059 0.000 2.373 608 Y HA 0.605 5.155 4.550 -0.000 0.000 0.327 608 Y C 0.037 176.057 175.900 0.199 0.000 1.036 608 Y CA -1.389 56.813 58.100 0.169 0.000 1.265 608 Y CB 0.733 39.375 38.460 0.303 0.000 1.108 608 Y HN -0.165 nan 8.280 nan 0.000 0.471 609 A N 3.443 126.065 122.820 -0.329 0.000 2.503 609 A HA 0.751 5.070 4.320 -0.000 0.000 0.263 609 A C 0.738 178.084 177.584 -0.397 0.000 1.258 609 A CA 0.347 52.218 52.037 -0.277 0.000 0.936 609 A CB -0.434 18.505 19.000 -0.103 0.000 1.070 609 A HN 1.440 nan 8.150 nan 0.000 0.522 610 G N -2.419 105.867 108.800 -0.856 0.000 2.361 610 G HA2 0.549 4.509 3.960 -0.000 0.000 0.331 610 G HA3 0.549 4.509 3.960 -0.000 0.000 0.331 610 G C -0.359 174.584 174.900 0.070 0.000 1.324 610 G CA -0.077 44.805 45.100 -0.362 0.000 0.984 610 G HN 1.867 nan 8.290 nan 0.000 0.586 611 G N -2.228 106.733 108.800 0.268 0.000 2.404 611 G HA2 0.656 4.616 3.960 -0.000 0.000 0.298 611 G HA3 0.656 4.616 3.960 -0.000 0.000 0.298 611 G C 0.437 175.473 174.900 0.226 0.000 1.577 611 G CA 0.919 46.172 45.100 0.254 0.000 0.847 611 G HN 1.968 nan 8.290 nan 0.000 0.598 612 T N -2.489 112.159 114.554 0.156 0.000 3.065 612 T HA 0.285 4.635 4.350 -0.000 0.000 0.252 612 T C 0.678 175.451 174.700 0.121 0.000 1.099 612 T CA 0.654 62.822 62.100 0.112 0.000 1.063 612 T CB -0.060 68.848 68.868 0.067 0.000 0.948 612 T HN 0.566 nan 8.240 nan 0.000 0.506 613 H N 1.079 120.180 119.070 0.050 0.000 2.651 613 H HA 0.452 5.008 4.556 -0.000 0.000 0.353 613 H C -2.492 172.866 175.328 0.049 0.000 1.178 613 H CA -2.857 53.196 56.048 0.007 0.000 1.224 613 H CB 1.571 31.299 29.762 -0.057 0.000 1.702 613 H HN 0.051 nan 8.280 nan 0.000 0.550 614 P HA -0.087 nan 4.420 nan 0.000 0.266 614 P C -0.957 176.379 177.300 0.060 0.000 1.193 614 P CA 0.073 63.208 63.100 0.059 0.000 0.770 614 P CB 0.529 32.222 31.700 -0.011 0.000 0.836 615 V N 1.505 121.433 119.914 0.022 0.000 2.567 615 V HA 0.497 4.617 4.120 -0.000 0.000 0.289 615 V C 0.563 176.617 176.094 -0.068 0.000 1.049 615 V CA -0.871 61.400 62.300 -0.049 0.000 0.969 615 V CB 0.924 32.583 31.823 -0.272 0.000 0.995 615 V HN 0.637 nan 8.190 nan 0.000 0.471 616 A N 3.762 126.556 122.820 -0.043 0.000 2.309 616 A HA 0.417 4.737 4.320 -0.000 0.000 0.290 616 A C 0.940 178.503 177.584 -0.035 0.000 1.206 616 A CA -0.489 51.535 52.037 -0.022 0.000 0.850 616 A CB 0.150 19.160 19.000 0.017 0.000 1.118 616 A HN 0.925 nan 8.150 nan 0.000 0.523 617 K N 2.166 122.551 120.400 -0.026 0.000 2.426 617 K HA 0.297 4.616 4.320 -0.000 0.000 0.193 617 K C 0.841 177.459 176.600 0.031 0.000 1.028 617 K CA 0.724 57.004 56.287 -0.012 0.000 1.047 617 K CB 0.323 32.813 32.500 -0.016 0.000 0.821 617 K HN 0.907 nan 8.250 nan 0.000 0.513 618 G N 0.655 109.482 108.800 0.044 0.000 2.323 618 G HA2 0.371 4.331 3.960 -0.000 0.000 0.291 618 G HA3 0.371 4.331 3.960 -0.000 0.000 0.291 618 G C -1.756 173.199 174.900 0.092 0.000 1.278 618 G CA -0.544 44.600 45.100 0.074 0.000 0.860 618 G HN 0.086 nan 8.290 nan 0.000 0.504 619 A N -0.179 122.730 122.820 0.148 0.000 2.409 619 A HA 0.575 4.895 4.320 -0.000 0.000 0.262 619 A C 0.400 178.144 177.584 0.266 0.000 1.113 619 A CA -0.028 52.166 52.037 0.261 0.000 0.790 619 A CB 0.410 19.593 19.000 0.304 0.000 1.046 619 A HN 0.400 nan 8.150 nan 0.000 0.496 620 Q N 1.993 121.867 119.800 0.122 0.000 3.247 620 Q HA 0.307 4.647 4.340 -0.000 0.000 0.326 620 Q C -1.528 174.201 176.000 -0.450 0.000 1.402 620 Q CA 0.564 56.285 55.803 -0.137 0.000 0.994 620 Q CB -0.626 27.971 28.738 -0.235 0.000 1.647 620 Q HN 0.578 nan 8.270 nan 0.000 0.523 621 F N -0.557 119.447 119.950 0.090 0.000 2.588 621 F HA 0.549 5.076 4.527 -0.000 0.000 0.310 621 F C 0.233 176.033 175.800 -0.000 0.000 1.082 621 F CA -1.293 56.762 58.000 0.092 0.000 0.929 621 F CB 1.184 40.298 39.000 0.191 0.000 1.254 621 F HN 0.069 nan 8.300 nan 0.000 0.455 622 A N 3.067 125.953 122.820 0.110 0.000 2.386 622 A HA 0.400 4.720 4.320 -0.000 0.000 0.248 622 A C -1.664 175.760 177.584 -0.267 0.000 1.082 622 A CA -1.125 50.873 52.037 -0.065 0.000 0.789 622 A CB -0.181 18.798 19.000 -0.036 0.000 1.025 622 A HN 0.574 nan 8.150 nan 0.000 0.490 623 P HA -0.125 nan 4.420 nan 0.000 0.231 623 P C 0.094 177.116 177.300 -0.463 0.000 1.158 623 P CA 1.357 63.916 63.100 -0.901 0.000 0.763 623 P CB -0.003 31.345 31.700 -0.587 0.000 0.805 624 D N -1.811 118.440 120.400 -0.250 0.000 2.368 624 D HA 0.031 4.671 4.640 -0.000 0.000 0.218 624 D C 0.244 176.455 176.300 -0.148 0.000 1.112 624 D CA -0.144 53.738 54.000 -0.197 0.000 0.834 624 D CB -0.242 40.471 40.800 -0.145 0.000 0.953 624 D HN 0.056 nan 8.370 nan 0.000 0.505 625 E N -0.076 120.106 120.200 -0.031 0.000 2.354 625 E HA 0.026 4.376 4.350 -0.000 0.000 0.269 625 E C 0.180 176.817 176.600 0.061 0.000 1.036 625 E CA -0.409 56.063 56.400 0.120 0.000 0.876 625 E CB 0.963 30.839 29.700 0.294 0.000 1.009 625 E HN 0.249 nan 8.360 nan 0.000 0.416 626 W N 2.064 123.411 121.300 0.079 0.000 2.388 626 W HA -0.084 4.576 4.660 -0.000 0.000 0.294 626 W C 2.109 178.616 176.519 -0.021 0.000 1.212 626 W CA 0.230 57.578 57.345 0.005 0.000 1.271 626 W CB -0.051 29.287 29.460 -0.203 0.000 1.126 626 W HN 0.579 nan 8.180 nan 0.000 0.535 627 I N -0.504 120.110 120.570 0.074 0.000 2.286 627 I HA -0.354 3.816 4.170 -0.000 0.000 0.248 627 I C 2.322 178.348 176.117 -0.151 0.000 1.115 627 I CA 1.422 62.654 61.300 -0.115 0.000 1.392 627 I CB -0.325 37.479 38.000 -0.326 0.000 1.065 627 I HN 0.045 nan 8.210 nan 0.000 0.418 628 Y N 0.851 121.022 120.300 -0.215 0.000 2.181 628 Y HA -0.356 4.194 4.550 -0.000 0.000 0.288 628 Y C 2.641 178.499 175.900 -0.070 0.000 1.146 628 Y CA 2.436 60.446 58.100 -0.149 0.000 1.164 628 Y CB -0.639 37.793 38.460 -0.047 0.000 0.982 628 Y HN 0.347 nan 8.280 nan 0.000 0.515 629 H N -0.218 118.910 119.070 0.096 0.000 2.389 629 H HA -0.014 4.542 4.556 -0.000 0.000 0.299 629 H C 2.172 177.502 175.328 0.002 0.000 1.081 629 H CA 1.804 57.865 56.048 0.021 0.000 1.345 629 H CB -0.006 29.666 29.762 -0.150 0.000 1.393 629 H HN 0.230 nan 8.280 nan 0.000 0.520 630 R N -0.378 120.135 120.500 0.022 0.000 2.115 630 R HA 0.112 4.452 4.340 -0.000 0.000 0.226 630 R C 0.159 176.357 176.300 -0.169 0.000 1.100 630 R CA 0.879 56.940 56.100 -0.064 0.000 0.980 630 R CB 0.311 30.642 30.300 0.052 0.000 0.875 630 R HN 0.258 nan 8.270 nan 0.000 0.445 631 L N 0.932 122.027 121.223 -0.213 0.000 2.502 631 L HA 0.264 4.604 4.340 -0.000 0.000 0.247 631 L C 0.425 177.046 176.870 -0.415 0.000 1.180 631 L CA -0.316 54.365 54.840 -0.264 0.000 0.956 631 L CB 1.731 43.601 42.059 -0.315 0.000 1.282 631 L HN 0.061 nan 8.230 nan 0.000 0.470 632 S N 0.756 116.270 115.700 -0.310 0.000 2.419 632 S HA -0.203 4.267 4.470 -0.000 0.000 0.233 632 S C 1.742 176.277 174.600 -0.109 0.000 1.016 632 S CA 1.200 59.252 58.200 -0.247 0.000 0.974 632 S CB -0.281 62.891 63.200 -0.046 0.000 0.786 632 S HN 0.738 nan 8.310 nan 0.000 0.492 633 F N 1.724 121.495 119.950 -0.299 0.000 2.236 633 F HA -0.065 4.462 4.527 -0.000 0.000 0.302 633 F C 1.870 177.711 175.800 0.069 0.000 1.073 633 F CA 0.951 58.792 58.000 -0.265 0.000 1.336 633 F CB -0.895 37.796 39.000 -0.514 0.000 1.040 633 F HN 0.079 nan 8.300 nan 0.000 0.507 634 M N 0.244 119.357 119.600 -0.812 0.000 2.460 634 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 634 M C 0.905 177.125 176.300 -0.134 0.000 1.071 634 M CA 1.570 56.541 55.300 -0.548 0.000 1.096 634 M CB -0.477 31.755 32.600 -0.614 0.000 1.408 634 M HN 0.159 nan 8.290 nan 0.000 0.463 635 D N 0.227 120.588 120.400 -0.065 0.000 2.349 635 D HA 0.067 4.707 4.640 -0.000 0.000 0.214 635 D C -0.224 176.128 176.300 0.087 0.000 1.063 635 D CA 0.447 54.462 54.000 0.026 0.000 0.847 635 D CB 0.588 41.367 40.800 -0.035 0.000 0.933 635 D HN -0.071 nan 8.370 nan 0.000 0.513 636 K N 0.364 120.870 120.400 0.177 0.000 2.443 636 K HA 0.278 4.598 4.320 -0.000 0.000 0.252 636 K C 0.103 176.828 176.600 0.208 0.000 0.933 636 K CA -0.435 55.873 56.287 0.034 0.000 0.792 636 K CB 1.886 34.108 32.500 -0.463 0.000 1.185 636 K HN -0.174 nan 8.250 nan 0.000 0.425 637 Q N 0.402 120.293 119.800 0.152 0.000 2.331 637 Q HA 0.106 4.446 4.340 -0.000 0.000 0.203 637 Q C 0.061 176.208 176.000 0.245 0.000 0.944 637 Q CA 0.463 56.412 55.803 0.243 0.000 0.892 637 Q CB 0.212 29.098 28.738 0.246 0.000 0.983 637 Q HN 0.363 nan 8.270 nan 0.000 0.482 638 L N -0.471 120.816 121.223 0.106 0.000 2.386 638 L HA 0.617 4.957 4.340 -0.000 0.000 0.271 638 L C -2.047 174.790 176.870 -0.055 0.000 0.993 638 L CA -0.539 54.378 54.840 0.129 0.000 0.819 638 L CB 1.310 43.421 42.059 0.086 0.000 1.294 638 L HN 0.018 nan 8.230 nan 0.000 0.414 639 W N 4.033 125.453 121.300 0.200 0.000 3.138 639 W HA 0.751 5.411 4.660 -0.000 0.000 0.331 639 W C -1.387 175.309 176.519 0.296 0.000 1.166 639 W CA -0.711 56.749 57.345 0.192 0.000 1.212 639 W CB 2.226 31.752 29.460 0.111 0.000 1.399 639 W HN 0.303 nan 8.180 nan 0.000 0.514 640 V N 2.477 122.662 119.914 0.451 0.000 2.623 640 V HA 0.795 4.914 4.120 -0.000 0.000 0.304 640 V C -0.249 176.055 176.094 0.349 0.000 1.054 640 V CA -0.837 61.694 62.300 0.385 0.000 0.882 640 V CB 1.556 33.515 31.823 0.227 0.000 1.002 640 V HN 0.575 nan 8.190 nan 0.000 0.424 641 T N 1.169 115.952 114.554 0.382 0.000 2.883 641 T HA 0.766 5.115 4.350 -0.000 0.000 0.296 641 T C -0.545 174.246 174.700 0.153 0.000 1.117 641 T CA -0.978 61.283 62.100 0.270 0.000 1.006 641 T CB 2.193 71.252 68.868 0.319 0.000 1.191 641 T HN 0.584 nan 8.240 nan 0.000 0.508 642 R N 0.524 121.026 120.500 0.004 0.000 2.490 642 R HA 0.356 4.696 4.340 -0.000 0.000 0.280 642 R C -0.821 175.300 176.300 -0.299 0.000 1.077 642 R CA -0.688 55.337 56.100 -0.126 0.000 1.065 642 R CB -0.269 29.913 30.300 -0.196 0.000 1.003 642 R HN 0.751 nan 8.270 nan 0.000 0.470 643 Y N 3.695 123.850 120.300 -0.243 0.000 2.620 643 Y HA 0.116 4.666 4.550 -0.000 0.000 0.330 643 Y C -0.790 174.951 175.900 -0.264 0.000 1.186 643 Y CA 0.702 58.687 58.100 -0.192 0.000 1.467 643 Y CB 0.271 38.679 38.460 -0.086 0.000 1.262 643 Y HN 0.709 nan 8.280 nan 0.000 0.550 644 H N 6.791 125.347 119.070 -0.857 0.000 2.966 644 H HA 0.194 4.750 4.556 -0.000 0.000 0.347 644 H C -1.966 172.847 175.328 -0.858 0.000 1.048 644 H CA -2.056 53.564 56.048 -0.713 0.000 1.295 644 H CB 1.754 31.310 29.762 -0.344 0.000 1.744 644 H HN 0.424 nan 8.280 nan 0.000 0.513 645 P HA -0.126 nan 4.420 nan 0.000 0.218 645 P C 1.363 178.533 177.300 -0.218 0.000 1.148 645 P CA 1.269 64.171 63.100 -0.330 0.000 0.822 645 P CB 0.197 31.819 31.700 -0.130 0.000 0.784 646 G N -0.721 107.958 108.800 -0.201 0.000 3.284 646 G HA2 0.022 3.982 3.960 -0.000 0.000 0.236 646 G HA3 0.022 3.982 3.960 -0.000 0.000 0.236 646 G C 0.068 174.825 174.900 -0.238 0.000 1.158 646 G CA -0.126 44.876 45.100 -0.163 0.000 0.774 646 G HN 0.253 nan 8.290 nan 0.000 0.545 647 E N 0.409 120.385 120.200 -0.373 0.000 2.149 647 E HA 0.376 4.726 4.350 -0.000 0.000 0.255 647 E C 0.263 176.621 176.600 -0.404 0.000 0.888 647 E CA -0.438 55.523 56.400 -0.732 0.000 0.742 647 E CB 1.270 30.314 29.700 -1.093 0.000 1.164 647 E HN 0.153 nan 8.360 nan 0.000 0.422 648 R N 1.583 121.851 120.500 -0.387 0.000 2.513 648 R HA 0.193 4.533 4.340 -0.000 0.000 0.245 648 R C -0.336 175.737 176.300 -0.378 0.000 0.908 648 R CA 0.085 55.871 56.100 -0.522 0.000 1.023 648 R CB 0.836 30.392 30.300 -1.240 0.000 1.338 648 R HN 0.245 nan 8.270 nan 0.000 0.575 649 F N 2.052 122.208 119.950 0.343 0.000 2.493 649 F HA 0.377 4.903 4.527 -0.000 0.000 0.329 649 F C -1.560 174.240 175.800 -0.001 0.000 1.126 649 F CA -3.097 54.998 58.000 0.158 0.000 0.937 649 F CB 1.394 40.395 39.000 0.002 0.000 1.146 649 F HN -0.254 nan 8.300 nan 0.000 0.442 650 P HA -0.182 nan 4.420 nan 0.000 0.220 650 P C 0.793 177.775 177.300 -0.529 0.000 1.148 650 P CA 1.574 64.314 63.100 -0.601 0.000 0.803 650 P CB 0.251 31.341 31.700 -1.016 0.000 0.782 651 E N 0.311 120.305 120.200 -0.343 0.000 2.479 651 E HA 0.198 4.548 4.350 -0.000 0.000 0.193 651 E C 0.800 177.328 176.600 -0.120 0.000 1.049 651 E CA 0.485 56.816 56.400 -0.115 0.000 0.870 651 E CB -0.381 29.315 29.700 -0.006 0.000 0.944 651 E HN 0.165 nan 8.360 nan 0.000 0.492 652 G N 1.752 110.495 108.800 -0.095 0.000 2.663 652 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.686 652 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.686 652 G C 0.045 174.953 174.900 0.013 0.000 1.246 652 G CA -0.096 44.976 45.100 -0.047 0.000 0.795 652 G HN 0.115 nan 8.290 nan 0.000 0.627 653 K N -0.694 119.719 120.400 0.023 0.000 2.057 653 K HA -0.008 4.312 4.320 -0.000 0.000 0.207 653 K C 0.372 176.596 176.600 -0.627 0.000 1.049 653 K CA 1.499 57.638 56.287 -0.247 0.000 0.931 653 K CB -0.108 32.212 32.500 -0.301 0.000 0.714 653 K HN 0.484 nan 8.250 nan 0.000 0.440 654 Y N 0.466 120.739 120.300 -0.045 0.000 2.837 654 Y HA 0.247 4.797 4.550 -0.000 0.000 0.356 654 Y C -1.963 173.878 175.900 -0.099 0.000 1.035 654 Y CA -2.382 55.674 58.100 -0.073 0.000 1.165 654 Y CB 1.324 39.758 38.460 -0.045 0.000 1.147 654 Y HN 0.166 nan 8.280 nan 0.000 0.628 655 P HA -0.081 nan 4.420 nan 0.000 0.233 655 P C 0.143 177.401 177.300 -0.070 0.000 1.167 655 P CA 0.503 63.567 63.100 -0.061 0.000 0.770 655 P CB 0.428 32.090 31.700 -0.062 0.000 0.837 656 N N 1.919 120.585 118.700 -0.057 0.000 2.438 656 N HA -0.025 4.715 4.740 -0.000 0.000 0.267 656 N C 0.290 175.656 175.510 -0.240 0.000 1.222 656 N CA 0.213 53.194 53.050 -0.115 0.000 0.930 656 N CB -0.456 37.984 38.487 -0.078 0.000 1.083 656 N HN -0.091 nan 8.380 nan 0.000 0.476 657 R N 0.403 120.749 120.500 -0.256 0.000 3.641 657 R HA -0.174 4.166 4.340 -0.000 0.000 0.286 657 R C -0.358 175.737 176.300 -0.340 0.000 1.153 657 R CA 0.838 56.739 56.100 -0.333 0.000 0.775 657 R CB -2.719 27.192 30.300 -0.648 0.000 1.215 657 R HN 0.743 nan 8.270 nan 0.000 0.474 658 S N -0.739 114.818 115.700 -0.239 0.000 2.562 658 S HA 0.140 4.610 4.470 -0.000 0.000 0.281 658 S C 1.580 175.963 174.600 -0.361 0.000 1.333 658 S CA 0.076 58.120 58.200 -0.261 0.000 1.052 658 S CB 1.626 64.702 63.200 -0.207 0.000 0.884 658 S HN 0.336 nan 8.310 nan 0.000 0.506 659 T N -1.550 112.746 114.554 -0.431 0.000 3.057 659 T HA 0.201 4.551 4.350 -0.000 0.000 0.254 659 T C 0.351 175.200 174.700 0.248 0.000 1.094 659 T CA 0.694 62.488 62.100 -0.510 0.000 1.088 659 T CB -0.783 67.787 68.868 -0.497 0.000 0.934 659 T HN 1.037 nan 8.240 nan 0.000 0.497 660 H N -2.094 117.030 119.070 0.090 0.000 2.990 660 H HA 0.623 5.179 4.556 -0.000 0.000 0.336 660 H C -1.604 173.688 175.328 -0.060 0.000 1.306 660 H CA -1.190 54.946 56.048 0.146 0.000 1.118 660 H CB 0.434 30.302 29.762 0.178 0.000 1.856 660 H HN -0.114 nan 8.280 nan 0.000 0.538 661 D N 0.874 121.160 120.400 -0.189 0.000 2.382 661 D HA 0.038 4.678 4.640 -0.000 0.000 0.259 661 D C 0.656 176.819 176.300 -0.228 0.000 1.224 661 D CA 0.600 54.449 54.000 -0.252 0.000 0.894 661 D CB 0.843 41.474 40.800 -0.281 0.000 1.127 661 D HN 0.722 nan 8.370 nan 0.000 0.487 662 T N 0.361 114.735 114.554 -0.301 0.000 3.085 662 T HA 0.366 4.716 4.350 -0.000 0.000 0.264 662 T C 1.009 175.480 174.700 -0.383 0.000 1.019 662 T CA -0.144 61.811 62.100 -0.242 0.000 0.910 662 T CB 0.730 69.497 68.868 -0.168 0.000 1.059 662 T HN 0.249 nan 8.240 nan 0.000 0.542 663 G N 1.452 109.940 108.800 -0.520 0.000 3.329 663 G HA2 0.455 4.415 3.960 -0.000 0.000 0.180 663 G HA3 0.455 4.415 3.960 -0.000 0.000 0.180 663 G C 0.861 174.885 174.900 -1.459 0.000 1.640 663 G CA -0.628 43.945 45.100 -0.879 0.000 1.018 663 G HN 0.288 nan 8.290 nan 0.000 0.581 664 L N 0.911 121.423 121.223 -1.185 0.000 2.187 664 L HA -0.038 4.302 4.340 -0.000 0.000 0.213 664 L C 3.040 179.498 176.870 -0.687 0.000 1.100 664 L CA 1.086 55.245 54.840 -1.135 0.000 0.765 664 L CB -0.470 40.655 42.059 -1.556 0.000 0.904 664 L HN 0.568 nan 8.230 nan 0.000 0.437 665 G N -1.046 107.449 108.800 -0.510 0.000 2.418 665 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.217 665 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.217 665 G C 1.478 176.287 174.900 -0.151 0.000 1.158 665 G CA 0.652 45.629 45.100 -0.204 0.000 0.771 665 G HN 0.406 nan 8.290 nan 0.000 0.545 666 Q N -0.887 118.761 119.800 -0.253 0.000 2.083 666 Q HA -0.104 4.236 4.340 -0.000 0.000 0.198 666 Q C 2.297 178.297 176.000 -0.001 0.000 0.969 666 Q CA 0.985 56.717 55.803 -0.118 0.000 0.838 666 Q CB -0.199 28.465 28.738 -0.124 0.000 0.900 666 Q HN 0.534 nan 8.270 nan 0.000 0.436 667 Y N 0.454 120.707 120.300 -0.079 0.000 2.274 667 Y HA -0.118 4.432 4.550 -0.000 0.000 0.290 667 Y C 2.615 178.532 175.900 0.028 0.000 1.145 667 Y CA 1.239 59.317 58.100 -0.037 0.000 1.203 667 Y CB -0.678 37.697 38.460 -0.142 0.000 0.984 667 Y HN 0.299 nan 8.280 nan 0.000 0.533 668 S N -1.167 114.630 115.700 0.162 0.000 2.502 668 S HA 0.039 4.509 4.470 -0.000 0.000 0.215 668 S C 1.807 176.491 174.600 0.140 0.000 1.009 668 S CA -0.040 58.268 58.200 0.180 0.000 0.908 668 S CB -0.052 63.307 63.200 0.266 0.000 0.801 668 S HN 0.270 nan 8.310 nan 0.000 0.505 669 K N 2.194 122.658 120.400 0.107 0.000 2.097 669 K HA -0.236 4.083 4.320 -0.000 0.000 0.214 669 K C 1.425 178.076 176.600 0.084 0.000 1.052 669 K CA 2.218 58.556 56.287 0.085 0.000 0.932 669 K CB -0.359 32.181 32.500 0.067 0.000 0.716 669 K HN 0.680 nan 8.250 nan 0.000 0.455 670 D N -0.513 119.944 120.400 0.095 0.000 2.348 670 D HA -0.202 4.437 4.640 -0.000 0.000 0.216 670 D C -0.054 176.298 176.300 0.087 0.000 0.970 670 D CA 0.568 54.621 54.000 0.089 0.000 0.889 670 D CB -0.887 39.974 40.800 0.103 0.000 0.912 670 D HN 0.415 nan 8.370 nan 0.000 0.524 671 N N 0.999 119.757 118.700 0.095 0.000 2.705 671 N HA -0.187 4.553 4.740 -0.000 0.000 0.255 671 N C -0.865 174.696 175.510 0.085 0.000 1.008 671 N CA 0.062 53.165 53.050 0.087 0.000 0.742 671 N CB -0.495 38.033 38.487 0.069 0.000 0.906 671 N HN 0.409 nan 8.380 nan 0.000 0.541 672 E N 0.080 120.339 120.200 0.099 0.000 2.369 672 E HA 0.164 4.514 4.350 -0.000 0.000 0.255 672 E C 0.257 176.907 176.600 0.082 0.000 1.172 672 E CA -0.461 55.995 56.400 0.093 0.000 0.932 672 E CB 0.781 30.547 29.700 0.112 0.000 1.040 672 E HN 0.261 nan 8.360 nan 0.000 0.454 673 S N 0.464 116.208 115.700 0.074 0.000 2.549 673 S HA 0.087 4.557 4.470 -0.000 0.000 0.283 673 S C 0.358 174.998 174.600 0.067 0.000 1.320 673 S CA -0.288 57.951 58.200 0.066 0.000 1.058 673 S CB 0.134 63.369 63.200 0.059 0.000 0.882 673 S HN 0.424 nan 8.310 nan 0.000 0.498 674 L N 3.014 124.276 121.223 0.065 0.000 3.014 674 L HA 0.329 4.669 4.340 -0.000 0.000 0.263 674 L C -0.033 176.870 176.870 0.055 0.000 1.207 674 L CA -0.210 54.670 54.840 0.065 0.000 1.017 674 L CB 0.304 42.408 42.059 0.075 0.000 1.360 674 L HN 0.570 nan 8.230 nan 0.000 0.560 675 D N 1.636 122.066 120.400 0.050 0.000 2.338 675 D HA 0.012 4.652 4.640 -0.000 0.000 0.255 675 D C 0.723 177.046 176.300 0.039 0.000 1.237 675 D CA 0.268 54.294 54.000 0.043 0.000 0.883 675 D CB 0.172 40.997 40.800 0.041 0.000 1.087 675 D HN 0.171 nan 8.370 nan 0.000 0.485 676 N N 2.845 121.566 118.700 0.035 0.000 2.688 676 N HA -0.256 4.484 4.740 -0.000 0.000 0.258 676 N C -1.272 174.257 175.510 0.032 0.000 1.016 676 N CA 0.685 53.753 53.050 0.029 0.000 0.747 676 N CB -0.429 38.073 38.487 0.024 0.000 0.895 676 N HN 0.446 nan 8.380 nan 0.000 0.543 677 T N -0.384 114.193 114.554 0.038 0.000 2.787 677 T HA 0.132 4.482 4.350 -0.000 0.000 0.297 677 T C -1.634 173.092 174.700 0.042 0.000 1.221 677 T CA -0.613 61.512 62.100 0.041 0.000 1.006 677 T CB 1.477 70.375 68.868 0.050 0.000 1.328 677 T HN 0.207 nan 8.240 nan 0.000 0.509 678 D N 1.525 121.953 120.400 0.046 0.000 2.349 678 D HA 0.478 5.118 4.640 -0.000 0.000 0.266 678 D C -0.185 176.159 176.300 0.074 0.000 1.293 678 D CA 0.129 54.156 54.000 0.044 0.000 0.926 678 D CB 0.379 41.198 40.800 0.032 0.000 1.090 678 D HN 0.728 nan 8.370 nan 0.000 0.502 679 A N 3.131 125.994 122.820 0.071 0.000 2.311 679 A HA 0.685 5.005 4.320 -0.000 0.000 0.334 679 A C -0.807 176.836 177.584 0.099 0.000 1.139 679 A CA -0.654 51.439 52.037 0.094 0.000 0.830 679 A CB 1.594 20.649 19.000 0.092 0.000 1.234 679 A HN 0.352 nan 8.150 nan 0.000 0.483 680 V N 1.530 121.520 119.914 0.127 0.000 2.531 680 V HA 0.402 4.522 4.120 -0.000 0.000 0.301 680 V C -0.488 175.662 176.094 0.093 0.000 1.034 680 V CA -0.521 61.806 62.300 0.045 0.000 0.865 680 V CB 1.555 33.379 31.823 0.002 0.000 0.995 680 V HN 0.672 nan 8.190 nan 0.000 0.424 681 V N 4.047 123.957 119.914 -0.006 0.000 2.472 681 V HA 0.516 4.636 4.120 -0.000 0.000 0.290 681 V C -1.019 175.113 176.094 0.065 0.000 1.037 681 V CA -0.448 61.931 62.300 0.132 0.000 0.908 681 V CB 1.706 33.578 31.823 0.082 0.000 0.985 681 V HN 0.901 nan 8.190 nan 0.000 0.454 682 W N 4.562 125.993 121.300 0.217 0.000 2.683 682 W HA 0.714 5.374 4.660 -0.000 0.000 0.329 682 W C -0.308 176.384 176.519 0.289 0.000 1.037 682 W CA -0.726 56.750 57.345 0.217 0.000 1.232 682 W CB 1.294 30.846 29.460 0.153 0.000 1.390 682 W HN 0.254 nan 8.180 nan 0.000 0.465 683 M N 3.220 123.091 119.600 0.450 0.000 2.149 683 M HA 0.403 4.883 4.480 -0.000 0.000 0.342 683 M C -0.325 176.228 176.300 0.423 0.000 1.068 683 M CA -0.281 55.251 55.300 0.388 0.000 0.991 683 M CB 1.601 34.370 32.600 0.282 0.000 1.596 683 M HN 0.260 nan 8.290 nan 0.000 0.439 684 T N 1.682 116.490 114.554 0.424 0.000 2.771 684 T HA 0.484 4.834 4.350 -0.000 0.000 0.281 684 T C -0.273 174.637 174.700 0.350 0.000 0.982 684 T CA -0.346 61.999 62.100 0.408 0.000 0.978 684 T CB 1.477 70.631 68.868 0.477 0.000 0.930 684 T HN 0.672 nan 8.240 nan 0.000 0.447 685 T N 1.701 116.475 114.554 0.367 0.000 2.909 685 T HA 0.787 5.137 4.350 -0.000 0.000 0.299 685 T C -0.545 174.371 174.700 0.360 0.000 1.073 685 T CA -0.308 62.014 62.100 0.371 0.000 0.999 685 T CB 1.348 70.472 68.868 0.427 0.000 1.098 685 T HN 0.882 nan 8.240 nan 0.000 0.477 686 G N 1.408 110.373 108.800 0.275 0.000 2.608 686 G HA2 0.649 4.609 3.960 -0.000 0.000 0.291 686 G HA3 0.649 4.609 3.960 -0.000 0.000 0.291 686 G C -0.757 174.249 174.900 0.176 0.000 1.425 686 G CA -0.160 45.066 45.100 0.210 0.000 0.787 686 G HN 0.993 nan 8.290 nan 0.000 0.484 687 T N -2.654 112.001 114.554 0.168 0.000 2.930 687 T HA 0.749 5.099 4.350 -0.000 0.000 0.290 687 T C -0.609 174.122 174.700 0.052 0.000 1.052 687 T CA -0.656 61.531 62.100 0.145 0.000 1.017 687 T CB 2.099 71.115 68.868 0.246 0.000 1.137 687 T HN 0.477 nan 8.240 nan 0.000 0.511 688 T N 1.641 116.186 114.554 -0.014 0.000 2.772 688 T HA 0.329 4.679 4.350 -0.000 0.000 0.288 688 T C -0.831 173.765 174.700 -0.174 0.000 0.994 688 T CA -0.426 61.615 62.100 -0.099 0.000 0.951 688 T CB 0.016 68.829 68.868 -0.092 0.000 0.933 688 T HN 0.782 nan 8.240 nan 0.000 0.447 689 H N 3.414 122.222 119.070 -0.437 0.000 2.690 689 H HA 0.539 5.095 4.556 -0.000 0.000 0.289 689 H C -0.937 174.106 175.328 -0.475 0.000 1.089 689 H CA -0.682 55.008 56.048 -0.598 0.000 1.299 689 H CB 0.461 29.843 29.762 -0.633 0.000 1.405 689 H HN 0.284 nan 8.280 nan 0.000 0.463 690 V N 5.296 125.140 119.914 -0.115 0.000 2.347 690 V HA 0.341 4.461 4.120 -0.000 0.000 0.280 690 V C 0.492 176.577 176.094 -0.015 0.000 1.021 690 V CA -0.565 61.663 62.300 -0.121 0.000 0.847 690 V CB 0.776 32.542 31.823 -0.095 0.000 0.990 690 V HN 0.933 nan 8.190 nan 0.000 0.444 691 A N 6.920 129.679 122.820 -0.102 0.000 2.366 691 A HA 0.764 5.084 4.320 -0.000 0.000 0.250 691 A C 0.388 178.002 177.584 0.051 0.000 1.099 691 A CA -0.139 51.904 52.037 0.009 0.000 0.794 691 A CB 0.420 19.372 19.000 -0.079 0.000 1.056 691 A HN 0.965 nan 8.150 nan 0.000 0.499 692 R N -1.235 119.330 120.500 0.108 0.000 2.764 692 R HA 0.665 5.005 4.340 -0.000 0.000 0.270 692 R C 0.348 176.705 176.300 0.094 0.000 1.014 692 R CA -0.205 55.941 56.100 0.077 0.000 0.904 692 R CB 1.304 31.655 30.300 0.085 0.000 1.236 692 R HN 0.680 nan 8.270 nan 0.000 0.466 693 A N 0.735 123.595 122.820 0.067 0.000 2.070 693 A HA -0.119 4.200 4.320 -0.000 0.000 0.220 693 A C 1.372 179.036 177.584 0.133 0.000 1.159 693 A CA 1.495 53.587 52.037 0.092 0.000 0.656 693 A CB -0.509 18.520 19.000 0.048 0.000 0.800 693 A HN 0.813 nan 8.150 nan 0.000 0.453 694 E N 0.240 120.504 120.200 0.108 0.000 2.409 694 E HA -0.094 4.256 4.350 -0.000 0.000 0.198 694 E C 1.078 177.747 176.600 0.115 0.000 1.024 694 E CA 0.962 57.419 56.400 0.095 0.000 0.861 694 E CB -0.066 29.678 29.700 0.074 0.000 0.788 694 E HN 0.765 nan 8.360 nan 0.000 0.521 695 E N -0.792 119.511 120.200 0.171 0.000 2.451 695 E HA 0.058 4.408 4.350 -0.000 0.000 0.194 695 E C -0.546 176.218 176.600 0.273 0.000 1.027 695 E CA -0.277 56.239 56.400 0.193 0.000 0.914 695 E CB 0.471 30.328 29.700 0.262 0.000 1.054 695 E HN 0.180 nan 8.360 nan 0.000 0.461 696 W N 1.915 123.227 121.300 0.021 0.000 2.957 696 W HA 0.248 4.907 4.660 -0.000 0.000 0.336 696 W C -2.347 174.184 176.519 0.020 0.000 1.087 696 W CA -1.996 55.358 57.345 0.015 0.000 1.235 696 W CB 1.743 31.211 29.460 0.013 0.000 1.399 696 W HN -0.114 nan 8.180 nan 0.000 0.480 697 P HA 0.093 nan 4.420 nan 0.000 0.236 697 P C 0.006 176.944 177.300 -0.603 0.000 1.177 697 P CA 0.779 63.210 63.100 -1.116 0.000 0.773 697 P CB 1.495 32.676 31.700 -0.865 0.000 0.878 698 I N -0.330 120.073 120.570 -0.277 0.000 2.582 698 I HA 0.371 4.541 4.170 -0.000 0.000 0.292 698 I C -0.693 175.350 176.117 -0.124 0.000 1.066 698 I CA -1.707 59.448 61.300 -0.242 0.000 1.053 698 I CB 2.744 40.606 38.000 -0.230 0.000 1.241 698 I HN -0.281 nan 8.210 nan 0.000 0.421 699 M N 9.507 129.030 119.600 -0.128 0.000 2.120 699 M HA 0.504 4.984 4.480 -0.000 0.000 0.354 699 M C -2.419 173.808 176.300 -0.122 0.000 1.287 699 M CA -1.348 53.910 55.300 -0.070 0.000 1.103 699 M CB 0.995 33.578 32.600 -0.029 0.000 1.623 699 M HN 0.235 nan 8.290 nan 0.000 0.471 700 P HA 0.039 nan 4.420 nan 0.000 0.264 700 P C -0.919 176.273 177.300 -0.181 0.000 1.193 700 P CA 0.134 63.172 63.100 -0.103 0.000 0.763 700 P CB 0.304 31.970 31.700 -0.057 0.000 0.810 701 T N 4.074 118.502 114.554 -0.210 0.000 2.905 701 T HA 0.026 4.376 4.350 -0.000 0.000 0.299 701 T C 0.283 174.743 174.700 -0.399 0.000 1.024 701 T CA 0.190 62.073 62.100 -0.362 0.000 1.151 701 T CB -0.054 68.598 68.868 -0.360 0.000 0.987 701 T HN 0.342 nan 8.240 nan 0.000 0.535 702 E N 2.181 122.042 120.200 -0.565 0.000 2.183 702 E HA 0.332 4.682 4.350 -0.000 0.000 0.271 702 E C -0.867 175.404 176.600 -0.549 0.000 0.919 702 E CA -0.469 55.626 56.400 -0.508 0.000 0.781 702 E CB 1.680 30.908 29.700 -0.786 0.000 1.140 702 E HN 0.609 nan 8.360 nan 0.000 0.402 703 W N 1.298 122.451 121.300 -0.245 0.000 2.719 703 W HA 0.486 5.146 4.660 0.000 0.000 0.352 703 W C -0.239 176.047 176.519 -0.388 0.000 1.085 703 W CA -0.780 56.376 57.345 -0.315 0.000 1.187 703 W CB 1.512 30.786 29.460 -0.311 0.000 1.417 703 W HN 0.222 nan 8.180 nan 0.000 0.557 704 V N -0.555 119.244 119.914 -0.192 0.000 2.769 704 V HA 0.616 4.736 4.120 -0.000 0.000 0.312 704 V C -0.836 174.978 176.094 -0.468 0.000 1.061 704 V CA -0.876 61.305 62.300 -0.198 0.000 0.931 704 V CB 1.760 33.640 31.823 0.096 0.000 1.010 704 V HN 0.609 nan 8.190 nan 0.000 0.433 705 H N 2.434 121.526 119.070 0.037 0.000 2.637 705 H HA 0.793 5.349 4.556 -0.000 0.000 0.363 705 H C -0.265 175.004 175.328 -0.098 0.000 1.131 705 H CA 0.056 56.063 56.048 -0.069 0.000 1.183 705 H CB 2.311 32.004 29.762 -0.116 0.000 1.637 705 H HN 1.055 nan 8.280 nan 0.000 0.531 706 T N 0.342 114.870 114.554 -0.043 0.000 2.906 706 T HA 0.633 4.983 4.350 -0.000 0.000 0.295 706 T C -1.023 173.585 174.700 -0.154 0.000 1.075 706 T CA -0.797 61.240 62.100 -0.106 0.000 1.005 706 T CB 1.863 70.639 68.868 -0.152 0.000 1.136 706 T HN 0.203 nan 8.240 nan 0.000 0.498 707 L N 1.086 122.224 121.223 -0.142 0.000 2.466 707 L HA 0.695 5.035 4.340 -0.000 0.000 0.258 707 L C -1.557 175.255 176.870 -0.097 0.000 0.973 707 L CA -0.896 53.861 54.840 -0.138 0.000 0.826 707 L CB 2.268 44.265 42.059 -0.104 0.000 1.372 707 L HN 0.819 nan 8.230 nan 0.000 0.409 708 L N 3.346 124.530 121.223 -0.064 0.000 2.372 708 L HA 0.571 4.910 4.340 -0.000 0.000 0.273 708 L C -0.720 176.251 176.870 0.169 0.000 0.989 708 L CA -0.622 54.264 54.840 0.076 0.000 0.841 708 L CB 1.579 43.669 42.059 0.052 0.000 1.225 708 L HN 0.469 nan 8.230 nan 0.000 0.414 709 K N 4.165 124.643 120.400 0.131 0.000 2.324 709 K HA 0.519 4.839 4.320 -0.000 0.000 0.253 709 K C -2.641 173.741 176.600 -0.364 0.000 0.932 709 K CA -1.901 54.371 56.287 -0.026 0.000 0.799 709 K CB 2.181 34.692 32.500 0.019 0.000 1.154 709 K HN 0.200 nan 8.250 nan 0.000 0.425 710 P HA -0.076 nan 4.420 nan 0.000 0.268 710 P C -0.974 176.200 177.300 -0.210 0.000 1.204 710 P CA -0.009 62.564 63.100 -0.878 0.000 0.768 710 P CB 0.515 31.979 31.700 -0.394 0.000 0.842 711 W N 5.411 126.543 121.300 -0.281 0.000 2.521 711 W HA 0.154 4.814 4.660 0.000 0.000 0.310 711 W C -0.414 176.079 176.519 -0.044 0.000 1.000 711 W CA -0.347 56.934 57.345 -0.106 0.000 1.353 711 W CB 0.140 29.552 29.460 -0.079 0.000 1.276 711 W HN 0.525 nan 8.180 nan 0.000 0.417 712 N N 3.410 122.033 118.700 -0.127 0.000 2.708 712 N HA -0.326 4.414 4.740 -0.000 0.000 0.251 712 N C 0.357 175.866 175.510 -0.001 0.000 1.123 712 N CA 1.574 54.591 53.050 -0.056 0.000 0.739 712 N CB -1.953 36.538 38.487 0.006 0.000 1.113 712 N HN 0.527 nan 8.380 nan 0.000 0.561 713 F N -0.136 119.696 119.950 -0.196 0.000 2.293 713 F HA 0.198 4.725 4.527 -0.000 0.000 0.297 713 F C 0.781 176.275 175.800 -0.510 0.000 1.089 713 F CA 0.790 58.562 58.000 -0.379 0.000 1.377 713 F CB 0.194 38.816 39.000 -0.631 0.000 1.051 713 F HN -0.025 nan 8.300 nan 0.000 0.511 714 F N 0.048 119.995 119.950 -0.005 0.000 2.518 714 F HA 0.279 4.806 4.527 -0.000 0.000 0.338 714 F C 1.196 176.938 175.800 -0.097 0.000 1.065 714 F CA -0.855 57.098 58.000 -0.078 0.000 1.012 714 F CB 0.317 39.279 39.000 -0.064 0.000 1.297 714 F HN -0.327 nan 8.300 nan 0.000 0.489 715 D N -0.255 120.223 120.400 0.131 0.000 2.369 715 D HA 0.105 4.745 4.640 -0.000 0.000 0.211 715 D C -0.157 176.143 176.300 0.001 0.000 1.077 715 D CA 0.494 54.510 54.000 0.026 0.000 0.842 715 D CB 0.327 41.131 40.800 0.007 0.000 0.947 715 D HN 0.720 nan 8.370 nan 0.000 0.509 716 E N -2.050 118.153 120.200 0.005 0.000 2.421 716 E HA 0.146 4.496 4.350 -0.000 0.000 0.276 716 E C -1.174 175.377 176.600 -0.081 0.000 1.154 716 E CA -0.822 55.548 56.400 -0.049 0.000 0.883 716 E CB 0.093 29.759 29.700 -0.056 0.000 1.429 716 E HN -0.297 nan 8.360 nan 0.000 0.436 717 T N 2.876 117.364 114.554 -0.111 0.000 2.750 717 T HA 0.021 4.371 4.350 -0.000 0.000 0.277 717 T C -1.740 172.871 174.700 -0.147 0.000 0.996 717 T CA -0.209 61.816 62.100 -0.125 0.000 1.195 717 T CB 0.005 68.779 68.868 -0.156 0.000 0.963 717 T HN 0.318 nan 8.240 nan 0.000 0.516 718 P HA -0.028 nan 4.420 nan 0.000 0.223 718 P C 1.374 178.568 177.300 -0.177 0.000 1.151 718 P CA 0.743 63.594 63.100 -0.414 0.000 0.787 718 P CB -0.028 31.121 31.700 -0.918 0.000 0.788 719 T N -4.606 109.925 114.554 -0.038 0.000 3.122 719 T HA 0.215 4.565 4.350 -0.000 0.000 0.250 719 T C 1.531 176.294 174.700 0.105 0.000 1.067 719 T CA -0.163 61.964 62.100 0.045 0.000 0.966 719 T CB -0.840 68.085 68.868 0.095 0.000 1.002 719 T HN -0.006 nan 8.240 nan 0.000 0.542 720 L N 1.099 122.364 121.223 0.069 0.000 2.093 720 L HA 0.262 4.602 4.340 -0.000 0.000 0.208 720 L C 1.597 178.490 176.870 0.039 0.000 1.085 720 L CA 1.325 56.207 54.840 0.069 0.000 0.755 720 L CB -0.809 41.244 42.059 -0.010 0.000 0.904 720 L HN 0.760 nan 8.230 nan 0.000 0.435 721 G N -1.633 107.170 108.800 0.005 0.000 2.479 721 G HA2 0.090 4.050 3.960 -0.000 0.000 0.686 721 G HA3 0.090 4.050 3.960 -0.000 0.000 0.686 721 G C -0.754 174.140 174.900 -0.010 0.000 1.295 721 G CA -0.568 44.528 45.100 -0.006 0.000 0.922 721 G HN 0.355 nan 8.290 nan 0.000 0.582 722 A N -0.325 122.488 122.820 -0.011 0.000 2.351 722 A HA 0.720 5.040 4.320 -0.000 0.000 0.257 722 A C 0.818 178.397 177.584 -0.007 0.000 1.087 722 A CA -0.211 51.821 52.037 -0.008 0.000 0.798 722 A CB 0.288 19.282 19.000 -0.009 0.000 1.033 722 A HN 1.251 nan 8.150 nan 0.000 0.488 723 L N 2.096 123.315 121.223 -0.007 0.000 2.397 723 L HA 0.162 4.502 4.340 -0.000 0.000 0.271 723 L C 1.000 177.866 176.870 -0.007 0.000 1.148 723 L CA -0.165 54.671 54.840 -0.007 0.000 0.825 723 L CB 0.512 42.566 42.059 -0.008 0.000 1.117 723 L HN 0.777 nan 8.230 nan 0.000 0.456 724 K N 0.000 120.396 120.400 -0.007 0.000 2.780 724 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 724 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 724 K CB 0.000 32.497 32.500 -0.005 0.000 1.064 724 K HN 0.000 nan 8.250 nan 0.000 0.543