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 1d6z_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 0.000 176.491 176.300 0.318 0.000 1.140 7 M CA 0.000 55.410 55.300 0.184 0.000 0.988 7 M CB 0.000 32.704 32.600 0.173 0.000 1.302 8 V N 1.445 121.573 119.914 0.357 0.000 3.048 8 V HA 0.693 4.813 4.120 -0.000 0.000 0.303 8 V C -2.682 173.242 176.094 -0.284 0.000 1.214 8 V CA -1.681 60.704 62.300 0.142 0.000 0.984 8 V CB 3.234 35.070 31.823 0.022 0.000 1.054 8 V HN 0.642 nan 8.190 nan 0.000 0.430 9 P HA 0.155 nan 4.420 nan 0.000 0.263 9 P C 0.580 177.528 177.300 -0.587 0.000 1.195 9 P CA 0.382 62.800 63.100 -1.137 0.000 0.762 9 P CB 0.553 31.687 31.700 -0.943 0.000 0.799 10 M N 3.696 122.957 119.600 -0.565 0.000 2.062 10 M HA -0.206 4.274 4.480 -0.000 0.000 0.259 10 M C 1.140 177.267 176.300 -0.289 0.000 1.076 10 M CA 1.945 56.999 55.300 -0.410 0.000 1.122 10 M CB -0.446 31.837 32.600 -0.528 0.000 1.312 10 M HN 0.265 nan 8.290 nan 0.000 0.412 11 D N 0.482 120.714 120.400 -0.280 0.000 2.133 11 D HA -0.239 4.401 4.640 -0.000 0.000 0.195 11 D C 1.888 178.111 176.300 -0.128 0.000 0.997 11 D CA 1.636 55.540 54.000 -0.161 0.000 0.840 11 D CB -0.346 40.379 40.800 -0.125 0.000 0.947 11 D HN 0.480 nan 8.370 nan 0.000 0.452 12 K N 0.298 120.592 120.400 -0.176 0.000 2.002 12 K HA -0.115 4.205 4.320 -0.000 0.000 0.209 12 K C 2.106 178.650 176.600 -0.095 0.000 1.048 12 K CA 1.511 57.717 56.287 -0.134 0.000 0.930 12 K CB -0.024 32.370 32.500 -0.175 0.000 0.714 12 K HN -0.037 nan 8.250 nan 0.000 0.438 13 T N 2.409 116.892 114.554 -0.117 0.000 2.708 13 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 13 T C 1.742 176.445 174.700 0.005 0.000 1.037 13 T CA 1.043 63.107 62.100 -0.060 0.000 1.146 13 T CB -0.106 68.716 68.868 -0.078 0.000 0.865 13 T HN 0.090 nan 8.240 nan 0.000 0.435 14 L N 1.115 122.341 121.223 0.006 0.000 2.042 14 L HA -0.067 4.273 4.340 -0.000 0.000 0.210 14 L C 2.353 179.279 176.870 0.093 0.000 1.076 14 L CA 1.869 56.764 54.840 0.092 0.000 0.749 14 L CB -0.971 41.137 42.059 0.082 0.000 0.893 14 L HN 0.352 nan 8.230 nan 0.000 0.432 15 K N -0.249 120.167 120.400 0.026 0.000 2.217 15 K HA -0.139 4.181 4.320 -0.000 0.000 0.202 15 K C 1.849 178.451 176.600 0.004 0.000 1.051 15 K CA 0.824 57.114 56.287 0.006 0.000 0.952 15 K CB 0.024 32.518 32.500 -0.011 0.000 0.736 15 K HN 0.428 nan 8.250 nan 0.000 0.453 16 E N 0.032 120.245 120.200 0.022 0.000 2.208 16 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 16 E C 1.495 178.132 176.600 0.062 0.000 0.988 16 E CA 0.625 57.039 56.400 0.024 0.000 0.828 16 E CB -0.041 29.671 29.700 0.020 0.000 0.763 16 E HN 0.212 nan 8.360 nan 0.000 0.478 17 F N 0.511 120.403 119.950 -0.097 0.000 2.558 17 F HA 0.144 4.671 4.527 -0.000 0.000 0.298 17 F C 1.430 177.141 175.800 -0.149 0.000 1.119 17 F CA 1.227 59.144 58.000 -0.139 0.000 1.451 17 F CB 0.328 39.208 39.000 -0.199 0.000 1.091 17 F HN 0.052 nan 8.300 nan 0.000 0.563 18 G N 0.459 109.135 108.800 -0.206 0.000 2.141 18 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.231 18 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.231 18 G C 0.267 175.004 174.900 -0.272 0.000 0.984 18 G CA 0.054 44.992 45.100 -0.269 0.000 0.660 18 G HN 0.836 nan 8.290 nan 0.000 0.525 19 A N -0.338 122.366 122.820 -0.193 0.000 2.293 19 A HA 0.680 5.000 4.320 -0.000 0.000 0.302 19 A C -0.030 177.558 177.584 0.006 0.000 1.119 19 A CA 0.317 52.302 52.037 -0.087 0.000 0.823 19 A CB 0.830 19.844 19.000 0.022 0.000 1.097 19 A HN 0.497 nan 8.150 nan 0.000 0.491 20 D N 0.558 120.979 120.400 0.035 0.000 2.225 20 D HA 0.457 5.097 4.640 -0.000 0.000 0.248 20 D C -0.826 175.526 176.300 0.087 0.000 1.096 20 D CA 0.142 54.172 54.000 0.049 0.000 0.863 20 D CB 1.130 41.955 40.800 0.041 0.000 1.156 20 D HN 0.184 nan 8.370 nan 0.000 0.450 21 V N 4.366 124.339 119.914 0.099 0.000 2.448 21 V HA 0.374 4.494 4.120 -0.000 0.000 0.295 21 V C -0.293 175.920 176.094 0.199 0.000 1.025 21 V CA -0.686 61.706 62.300 0.153 0.000 0.859 21 V CB 1.433 33.333 31.823 0.127 0.000 0.988 21 V HN 0.558 nan 8.190 nan 0.000 0.431 22 Q N 4.249 124.201 119.800 0.253 0.000 2.340 22 Q HA 0.417 4.756 4.340 -0.000 0.000 0.268 22 Q C -1.335 174.877 176.000 0.353 0.000 1.031 22 Q CA -0.440 55.505 55.803 0.238 0.000 0.804 22 Q CB 3.070 31.883 28.738 0.126 0.000 1.286 22 Q HN 0.855 nan 8.270 nan 0.000 0.448 23 W N 4.061 125.400 121.300 0.065 0.000 2.532 23 W HA 0.328 4.988 4.660 0.000 0.000 0.321 23 W C -1.493 174.955 176.519 -0.118 0.000 1.037 23 W CA -0.499 56.754 57.345 -0.154 0.000 1.220 23 W CB 1.518 30.843 29.460 -0.226 0.000 1.361 23 W HN 0.630 nan 8.180 nan 0.000 0.468 24 D N 4.430 124.240 120.400 -0.982 0.000 2.427 24 D HA 0.042 4.682 4.640 -0.000 0.000 0.226 24 D C 0.526 176.066 176.300 -1.266 0.000 1.076 24 D CA 0.026 53.562 54.000 -0.773 0.000 0.849 24 D CB 1.301 41.838 40.800 -0.438 0.000 1.052 24 D HN 0.512 nan 8.370 nan 0.000 0.515 25 D N 2.488 122.370 120.400 -0.864 0.000 2.144 25 D HA -0.234 4.406 4.640 -0.000 0.000 0.200 25 D C 1.570 177.722 176.300 -0.248 0.000 0.978 25 D CA 1.001 54.718 54.000 -0.472 0.000 0.833 25 D CB -0.028 40.797 40.800 0.042 0.000 0.961 25 D HN 0.507 nan 8.370 nan 0.000 0.470 26 Y N 0.656 120.794 120.300 -0.271 0.000 2.181 26 Y HA -0.093 4.457 4.550 -0.000 0.000 0.288 26 Y C 1.957 177.740 175.900 -0.194 0.000 1.146 26 Y CA 1.974 59.970 58.100 -0.173 0.000 1.164 26 Y CB -0.434 37.946 38.460 -0.134 0.000 0.982 26 Y HN 0.026 nan 8.280 nan 0.000 0.515 27 A N -0.911 121.729 122.820 -0.300 0.000 2.238 27 A HA 0.072 4.392 4.320 -0.000 0.000 0.210 27 A C 0.712 178.068 177.584 -0.380 0.000 1.179 27 A CA 0.508 52.336 52.037 -0.349 0.000 0.827 27 A CB -0.117 18.766 19.000 -0.196 0.000 0.856 27 A HN 0.491 nan 8.150 nan 0.000 0.488 28 Q N -1.908 117.557 119.800 -0.558 0.000 2.451 28 Q HA -0.205 4.135 4.340 -0.000 0.000 0.305 28 Q C -0.761 174.939 176.000 -0.500 0.000 1.345 28 Q CA 0.938 56.414 55.803 -0.545 0.000 0.854 28 Q CB -1.952 26.728 28.738 -0.097 0.000 1.162 28 Q HN 0.599 nan 8.270 nan 0.000 0.440 29 L N -0.428 120.315 121.223 -0.800 0.000 2.408 29 L HA 0.684 5.024 4.340 -0.000 0.000 0.268 29 L C -1.106 175.592 176.870 -0.287 0.000 0.986 29 L CA -0.563 54.080 54.840 -0.328 0.000 0.820 29 L CB 1.331 43.284 42.059 -0.176 0.000 1.303 29 L HN -0.003 nan 8.230 nan 0.000 0.411 30 F N 2.310 122.368 119.950 0.179 0.000 2.420 30 F HA 0.613 5.140 4.527 -0.000 0.000 0.342 30 F C 0.425 176.291 175.800 0.110 0.000 1.113 30 F CA -0.209 57.941 58.000 0.249 0.000 1.059 30 F CB 2.048 41.223 39.000 0.292 0.000 1.128 30 F HN 0.377 nan 8.300 nan 0.000 0.475 31 T N 5.430 120.146 114.554 0.270 0.000 2.786 31 T HA 0.587 4.937 4.350 -0.000 0.000 0.283 31 T C -0.923 173.817 174.700 0.066 0.000 0.992 31 T CA -0.494 61.645 62.100 0.065 0.000 0.954 31 T CB 0.764 69.611 68.868 -0.034 0.000 0.934 31 T HN 0.075 nan 8.240 nan 0.000 0.440 32 L N 4.491 125.724 121.223 0.017 0.000 2.313 32 L HA 0.648 4.987 4.340 -0.000 0.000 0.283 32 L C -0.382 176.517 176.870 0.049 0.000 1.013 32 L CA -0.512 54.401 54.840 0.122 0.000 0.816 32 L CB 1.279 43.511 42.059 0.289 0.000 1.236 32 L HN 0.625 nan 8.230 nan 0.000 0.419 33 I N 3.217 123.843 120.570 0.092 0.000 2.533 33 I HA 0.516 4.686 4.170 -0.000 0.000 0.290 33 I C -0.486 175.717 176.117 0.144 0.000 1.056 33 I CA -0.696 60.658 61.300 0.091 0.000 1.057 33 I CB 2.230 40.235 38.000 0.008 0.000 1.240 33 I HN 0.496 nan 8.210 nan 0.000 0.423 34 K N 6.050 126.569 120.400 0.199 0.000 2.616 34 K HA 0.248 4.568 4.320 -0.000 0.000 0.255 34 K C -0.853 175.829 176.600 0.137 0.000 0.995 34 K CA -0.369 55.961 56.287 0.071 0.000 0.860 34 K CB 1.146 33.561 32.500 -0.141 0.000 1.264 34 K HN 0.738 nan 8.250 nan 0.000 0.451 35 D N 2.093 122.559 120.400 0.111 0.000 3.927 35 D HA -0.267 4.373 4.640 -0.000 0.000 0.142 35 D C 0.959 177.378 176.300 0.199 0.000 0.830 35 D CA 2.229 56.331 54.000 0.171 0.000 1.091 35 D CB -0.931 39.999 40.800 0.216 0.000 0.495 35 D HN 0.779 nan 8.370 nan 0.000 0.489 36 G N 0.496 109.427 108.800 0.218 0.000 2.920 36 G HA2 0.356 4.316 3.960 -0.000 0.000 0.208 36 G HA3 0.356 4.316 3.960 -0.000 0.000 0.208 36 G C 0.357 175.366 174.900 0.182 0.000 1.159 36 G CA 1.001 46.188 45.100 0.146 0.000 0.784 36 G HN 0.640 nan 8.290 nan 0.000 0.535 37 A N 0.018 122.995 122.820 0.262 0.000 2.274 37 A HA 0.630 4.950 4.320 -0.000 0.000 0.309 37 A C -1.540 176.218 177.584 0.290 0.000 1.226 37 A CA -0.620 51.584 52.037 0.279 0.000 0.853 37 A CB 0.633 19.882 19.000 0.415 0.000 1.146 37 A HN 0.273 nan 8.150 nan 0.000 0.518 38 Y N 3.176 123.538 120.300 0.103 0.000 2.426 38 Y HA 0.503 5.053 4.550 0.000 0.000 0.325 38 Y C -0.918 175.010 175.900 0.047 0.000 0.989 38 Y CA -0.578 57.578 58.100 0.093 0.000 1.284 38 Y CB 1.333 39.834 38.460 0.069 0.000 1.104 38 Y HN 0.461 nan 8.280 nan 0.000 0.481 39 V N 5.975 125.859 119.914 -0.050 0.000 2.547 39 V HA 0.530 4.650 4.120 -0.000 0.000 0.299 39 V C -0.713 175.381 176.094 0.000 0.000 1.040 39 V CA -1.054 61.223 62.300 -0.039 0.000 0.913 39 V CB 1.880 33.598 31.823 -0.175 0.000 0.992 39 V HN 0.576 nan 8.190 nan 0.000 0.449 40 K N 2.750 123.197 120.400 0.078 0.000 2.426 40 K HA 0.792 5.112 4.320 -0.000 0.000 0.254 40 K C -1.665 175.021 176.600 0.143 0.000 0.936 40 K CA -0.619 55.741 56.287 0.122 0.000 0.801 40 K CB 2.580 35.164 32.500 0.140 0.000 1.139 40 K HN 0.433 nan 8.250 nan 0.000 0.424 41 V N 3.196 123.238 119.914 0.212 0.000 2.777 41 V HA 0.373 4.493 4.120 -0.000 0.000 0.306 41 V C -1.679 174.595 176.094 0.301 0.000 1.112 41 V CA -0.745 61.697 62.300 0.237 0.000 0.917 41 V CB 1.895 33.885 31.823 0.278 0.000 1.018 41 V HN 0.649 nan 8.190 nan 0.000 0.426 42 K N 6.420 126.956 120.400 0.227 0.000 2.138 42 K HA 0.555 4.875 4.320 -0.000 0.000 0.263 42 K C -2.725 174.025 176.600 0.250 0.000 0.965 42 K CA -1.797 54.631 56.287 0.235 0.000 0.868 42 K CB 1.732 34.308 32.500 0.127 0.000 1.083 42 K HN 0.435 nan 8.250 nan 0.000 0.443 43 P HA -0.049 nan 4.420 nan 0.000 0.265 43 P C 0.662 178.047 177.300 0.141 0.000 1.193 43 P CA 0.796 64.032 63.100 0.227 0.000 0.765 43 P CB 0.543 32.384 31.700 0.236 0.000 0.823 44 G N 1.631 110.492 108.800 0.101 0.000 2.234 44 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.260 44 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.260 44 G C 0.495 175.436 174.900 0.068 0.000 0.987 44 G CA 0.091 45.234 45.100 0.072 0.000 0.625 44 G HN 0.864 nan 8.290 nan 0.000 0.532 45 A N -0.143 122.727 122.820 0.085 0.000 2.407 45 A HA 0.649 4.969 4.320 -0.000 0.000 0.248 45 A C 1.083 178.709 177.584 0.070 0.000 1.082 45 A CA 0.972 53.053 52.037 0.074 0.000 0.785 45 A CB 0.337 19.388 19.000 0.085 0.000 1.020 45 A HN 0.485 nan 8.150 nan 0.000 0.489 46 Q N -0.153 119.680 119.800 0.055 0.000 2.425 46 Q HA 0.068 4.408 4.340 -0.000 0.000 0.204 46 Q C 0.387 176.418 176.000 0.052 0.000 0.933 46 Q CA 1.012 56.845 55.803 0.050 0.000 0.939 46 Q CB 0.170 28.930 28.738 0.036 0.000 1.044 46 Q HN 0.929 nan 8.270 nan 0.000 0.513 47 T N -3.580 111.008 114.554 0.057 0.000 2.883 47 T HA 0.837 5.187 4.350 -0.000 0.000 0.296 47 T C -0.903 173.838 174.700 0.067 0.000 1.117 47 T CA -0.743 61.388 62.100 0.051 0.000 1.006 47 T CB 2.216 71.105 68.868 0.035 0.000 1.191 47 T HN 0.019 nan 8.240 nan 0.000 0.508 48 A N 0.890 123.742 122.820 0.054 0.000 2.530 48 A HA 0.830 5.150 4.320 -0.000 0.000 0.288 48 A C -1.417 176.187 177.584 0.032 0.000 1.172 48 A CA -0.970 51.105 52.037 0.062 0.000 0.733 48 A CB 1.341 20.382 19.000 0.068 0.000 1.320 48 A HN 0.784 nan 8.150 nan 0.000 0.419 49 I N 1.155 121.748 120.570 0.038 0.000 2.406 49 I HA 0.479 4.649 4.170 -0.000 0.000 0.290 49 I C -0.857 175.272 176.117 0.020 0.000 0.999 49 I CA -0.572 60.749 61.300 0.034 0.000 1.124 49 I CB 1.258 39.297 38.000 0.064 0.000 1.289 49 I HN 0.273 nan 8.210 nan 0.000 0.441 50 V N 5.950 125.864 119.914 -0.000 0.000 2.407 50 V HA 0.364 4.484 4.120 -0.000 0.000 0.291 50 V C 0.452 176.563 176.094 0.029 0.000 1.018 50 V CA -0.905 61.387 62.300 -0.015 0.000 0.842 50 V CB 1.138 32.911 31.823 -0.082 0.000 0.996 50 V HN 0.877 nan 8.190 nan 0.000 0.426 51 N N 4.011 122.760 118.700 0.082 0.000 2.714 51 N HA -0.259 4.481 4.740 -0.000 0.000 0.252 51 N C 1.189 176.716 175.510 0.028 0.000 1.014 51 N CA 0.477 53.567 53.050 0.066 0.000 0.735 51 N CB -0.605 37.908 38.487 0.044 0.000 0.924 51 N HN 1.399 nan 8.380 nan 0.000 0.540 52 G N -1.245 107.578 108.800 0.037 0.000 2.184 52 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.264 52 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.264 52 G C -0.136 174.772 174.900 0.013 0.000 0.975 52 G CA 0.463 45.572 45.100 0.016 0.000 0.642 52 G HN 0.427 nan 8.290 nan 0.000 0.536 53 Q N 0.724 120.531 119.800 0.012 0.000 2.312 53 Q HA 0.461 4.801 4.340 -0.000 0.000 0.263 53 Q C -2.431 173.571 176.000 0.003 0.000 0.995 53 Q CA -2.058 53.748 55.803 0.004 0.000 0.853 53 Q CB 2.465 31.203 28.738 -0.001 0.000 1.300 53 Q HN 0.333 nan 8.270 nan 0.000 0.448 54 P HA 0.137 nan 4.420 nan 0.000 0.271 54 P C -0.831 176.467 177.300 -0.004 0.000 1.216 54 P CA -0.376 62.727 63.100 0.005 0.000 0.771 54 P CB 0.814 32.518 31.700 0.007 0.000 0.864 55 L N 3.159 124.378 121.223 -0.006 0.000 2.409 55 L HA 0.657 4.997 4.340 -0.000 0.000 0.272 55 L C -0.737 176.131 176.870 -0.004 0.000 0.980 55 L CA -0.887 53.942 54.840 -0.018 0.000 0.826 55 L CB 1.775 43.804 42.059 -0.049 0.000 1.268 55 L HN 0.439 nan 8.230 nan 0.000 0.407 56 A N 5.918 128.737 122.820 -0.002 0.000 2.409 56 A HA 0.622 4.942 4.320 -0.000 0.000 0.262 56 A C -0.617 176.975 177.584 0.014 0.000 1.113 56 A CA -0.306 51.737 52.037 0.010 0.000 0.790 56 A CB -0.044 18.961 19.000 0.008 0.000 1.046 56 A HN 0.753 nan 8.150 nan 0.000 0.496 57 L N 2.403 123.647 121.223 0.036 0.000 2.334 57 L HA 0.271 4.611 4.340 -0.000 0.000 0.275 57 L C 1.304 178.205 176.870 0.052 0.000 1.036 57 L CA -0.477 54.396 54.840 0.056 0.000 0.807 57 L CB 1.357 43.480 42.059 0.107 0.000 1.231 57 L HN 0.925 nan 8.230 nan 0.000 0.438 58 Q N 1.130 120.962 119.800 0.054 0.000 2.062 58 Q HA 0.035 4.375 4.340 -0.000 0.000 0.196 58 Q C -0.332 175.699 176.000 0.052 0.000 0.967 58 Q CA 0.986 56.816 55.803 0.044 0.000 0.832 58 Q CB 0.331 29.093 28.738 0.040 0.000 0.899 58 Q HN 0.443 nan 8.270 nan 0.000 0.442 59 V N 2.370 122.330 119.914 0.076 0.000 2.443 59 V HA 0.290 4.410 4.120 -0.000 0.000 0.293 59 V C -2.323 173.820 176.094 0.082 0.000 1.021 59 V CA -1.822 60.519 62.300 0.068 0.000 0.848 59 V CB 1.462 33.323 31.823 0.063 0.000 0.998 59 V HN 0.071 nan 8.190 nan 0.000 0.424 60 P HA 0.163 nan 4.420 nan 0.000 0.271 60 P C -0.383 176.934 177.300 0.029 0.000 1.233 60 P CA -0.184 62.955 63.100 0.065 0.000 0.789 60 P CB 0.515 32.248 31.700 0.055 0.000 0.951 61 V N 1.966 121.887 119.914 0.011 0.000 2.614 61 V HA 0.211 4.331 4.120 -0.000 0.000 0.291 61 V C 0.439 176.544 176.094 0.018 0.000 1.049 61 V CA 0.039 62.301 62.300 -0.064 0.000 1.038 61 V CB 0.869 32.641 31.823 -0.085 0.000 0.980 61 V HN 0.363 nan 8.190 nan 0.000 0.481 62 V N 4.005 123.937 119.914 0.029 0.000 2.604 62 V HA 0.643 4.763 4.120 -0.000 0.000 0.305 62 V C -0.410 175.746 176.094 0.104 0.000 1.043 62 V CA -1.024 61.309 62.300 0.055 0.000 0.888 62 V CB 2.062 33.897 31.823 0.019 0.000 0.995 62 V HN 0.675 nan 8.190 nan 0.000 0.429 63 M N 3.683 123.328 119.600 0.075 0.000 2.144 63 M HA 0.569 5.049 4.480 -0.000 0.000 0.356 63 M C -0.511 175.825 176.300 0.059 0.000 1.217 63 M CA -0.160 55.188 55.300 0.080 0.000 1.087 63 M CB 0.838 33.450 32.600 0.021 0.000 1.609 63 M HN 0.780 nan 8.290 nan 0.000 0.467 64 K N 2.165 122.643 120.400 0.130 0.000 2.604 64 K HA 0.255 4.575 4.320 -0.000 0.000 0.247 64 K C -0.845 175.814 176.600 0.098 0.000 0.956 64 K CA -0.051 56.248 56.287 0.021 0.000 0.896 64 K CB 0.583 32.932 32.500 -0.252 0.000 1.131 64 K HN 0.665 nan 8.250 nan 0.000 0.440 65 D N 3.665 124.085 120.400 0.034 0.000 2.705 65 D HA -0.216 4.424 4.640 -0.000 0.000 0.240 65 D C -0.860 175.465 176.300 0.042 0.000 1.137 65 D CA 1.291 55.313 54.000 0.037 0.000 0.677 65 D CB -1.216 39.613 40.800 0.050 0.000 1.049 65 D HN 0.854 nan 8.370 nan 0.000 0.427 66 N N -0.954 117.753 118.700 0.013 0.000 2.708 66 N HA -0.252 4.488 4.740 -0.000 0.000 0.251 66 N C -0.953 174.535 175.510 -0.036 0.000 1.123 66 N CA 1.671 54.701 53.050 -0.034 0.000 0.739 66 N CB -0.517 37.950 38.487 -0.032 0.000 1.113 66 N HN 0.669 nan 8.380 nan 0.000 0.561 67 K N -0.133 120.298 120.400 0.052 0.000 2.413 67 K HA 0.715 5.035 4.320 -0.000 0.000 0.257 67 K C -0.366 176.306 176.600 0.121 0.000 0.946 67 K CA -0.572 55.746 56.287 0.051 0.000 0.823 67 K CB 1.913 34.505 32.500 0.153 0.000 1.109 67 K HN 0.162 nan 8.250 nan 0.000 0.427 68 A N 2.788 125.576 122.820 -0.052 0.000 2.371 68 A HA 0.478 4.798 4.320 -0.000 0.000 0.257 68 A C -1.308 176.159 177.584 -0.196 0.000 1.089 68 A CA -0.129 51.881 52.037 -0.045 0.000 0.794 68 A CB 0.093 18.969 19.000 -0.207 0.000 1.029 68 A HN 0.676 nan 8.150 nan 0.000 0.488 69 W N 0.411 121.595 121.300 -0.193 0.000 2.936 69 W HA 0.541 5.201 4.660 -0.000 0.000 0.338 69 W C -0.350 176.015 176.519 -0.257 0.000 1.121 69 W CA -0.443 56.787 57.345 -0.191 0.000 1.209 69 W CB 1.907 31.294 29.460 -0.123 0.000 1.420 69 W HN 0.760 nan 8.180 nan 0.000 0.516 70 V N -0.569 119.290 119.914 -0.091 0.000 3.102 70 V HA 0.737 4.857 4.120 -0.000 0.000 0.312 70 V C 0.069 176.144 176.094 -0.031 0.000 1.135 70 V CA -1.210 60.947 62.300 -0.238 0.000 1.022 70 V CB 1.139 32.531 31.823 -0.719 0.000 1.056 70 V HN 0.492 nan 8.190 nan 0.000 0.436 71 S N 0.882 116.600 115.700 0.028 0.000 2.566 71 S HA 0.033 4.503 4.470 -0.000 0.000 0.280 71 S C 1.070 175.735 174.600 0.109 0.000 1.343 71 S CA 0.495 58.752 58.200 0.096 0.000 1.036 71 S CB 0.347 63.626 63.200 0.133 0.000 0.866 71 S HN 1.154 nan 8.310 nan 0.000 0.526 72 D N 1.980 122.429 120.400 0.081 0.000 2.371 72 D HA -0.077 4.563 4.640 -0.000 0.000 0.221 72 D C 1.199 177.534 176.300 0.059 0.000 0.986 72 D CA 0.850 54.887 54.000 0.062 0.000 0.899 72 D CB -0.299 40.529 40.800 0.047 0.000 0.902 72 D HN 0.470 nan 8.370 nan 0.000 0.530 73 T N -1.276 113.325 114.554 0.078 0.000 3.085 73 T HA 0.092 4.442 4.350 -0.000 0.000 0.264 73 T C 0.846 175.588 174.700 0.069 0.000 1.019 73 T CA -0.643 61.488 62.100 0.051 0.000 0.910 73 T CB -0.697 68.191 68.868 0.034 0.000 1.059 73 T HN 0.024 nan 8.240 nan 0.000 0.542 74 F N 1.981 121.912 119.950 -0.033 0.000 2.043 74 F HA -0.011 4.515 4.527 -0.000 0.000 0.297 74 F C 1.708 177.490 175.800 -0.030 0.000 1.121 74 F CA 1.586 59.567 58.000 -0.032 0.000 1.199 74 F CB -0.342 38.640 39.000 -0.030 0.000 0.968 74 F HN 0.208 nan 8.300 nan 0.000 0.478 75 I N 0.332 120.885 120.570 -0.029 0.000 2.163 75 I HA -0.393 3.777 4.170 -0.000 0.000 0.243 75 I C 2.531 178.553 176.117 -0.159 0.000 1.085 75 I CA 1.820 63.026 61.300 -0.156 0.000 1.347 75 I CB -0.819 36.895 38.000 -0.477 0.000 1.044 75 I HN 0.348 nan 8.210 nan 0.000 0.408 76 N N 1.219 119.836 118.700 -0.139 0.000 2.058 76 N HA -0.226 4.514 4.740 -0.000 0.000 0.191 76 N C 1.429 176.881 175.510 -0.097 0.000 1.037 76 N CA 2.048 55.045 53.050 -0.088 0.000 0.848 76 N CB -0.228 38.225 38.487 -0.057 0.000 1.021 76 N HN 0.295 nan 8.380 nan 0.000 0.422 77 D N 0.303 120.626 120.400 -0.129 0.000 2.123 77 D HA -0.105 4.535 4.640 -0.000 0.000 0.196 77 D C 2.052 178.214 176.300 -0.230 0.000 0.992 77 D CA 0.883 54.796 54.000 -0.144 0.000 0.833 77 D CB -0.053 40.675 40.800 -0.120 0.000 0.954 77 D HN 0.188 nan 8.370 nan 0.000 0.455 78 V N 0.173 119.838 119.914 -0.415 0.000 2.341 78 V HA -0.120 4.000 4.120 -0.000 0.000 0.240 78 V C 2.127 177.942 176.094 -0.464 0.000 1.035 78 V CA 1.019 62.983 62.300 -0.559 0.000 1.033 78 V CB -0.564 30.634 31.823 -1.042 0.000 0.678 78 V HN 0.004 nan 8.190 nan 0.000 0.464 79 F N -0.049 119.767 119.950 -0.223 0.000 2.259 79 F HA -0.058 4.469 4.527 -0.000 0.000 0.298 79 F C 2.134 177.924 175.800 -0.017 0.000 1.088 79 F CA 0.966 58.926 58.000 -0.067 0.000 1.358 79 F CB -0.201 38.784 39.000 -0.024 0.000 1.040 79 F HN 0.164 nan 8.300 nan 0.000 0.505 80 Q N -0.489 119.362 119.800 0.085 0.000 2.201 80 Q HA 0.079 4.419 4.340 -0.000 0.000 0.217 80 Q C 1.980 177.986 176.000 0.009 0.000 0.860 80 Q CA 0.276 56.114 55.803 0.059 0.000 0.984 80 Q CB -0.071 28.688 28.738 0.036 0.000 1.095 80 Q HN 0.309 nan 8.270 nan 0.000 0.477 81 S N -1.377 114.305 115.700 -0.029 0.000 2.368 81 S HA -0.018 4.452 4.470 -0.000 0.000 0.225 81 S C 1.654 176.247 174.600 -0.012 0.000 1.030 81 S CA 1.134 59.308 58.200 -0.043 0.000 0.999 81 S CB -0.149 63.000 63.200 -0.085 0.000 0.844 81 S HN 0.473 nan 8.310 nan 0.000 0.459 82 G N 0.374 109.178 108.800 0.007 0.000 2.260 82 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.179 82 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.179 82 G C 0.629 175.539 174.900 0.017 0.000 1.002 82 G CA 0.142 45.255 45.100 0.022 0.000 0.677 82 G HN 0.456 nan 8.290 nan 0.000 0.486 83 L N 0.756 121.980 121.223 0.002 0.000 2.313 83 L HA 0.214 4.554 4.340 -0.000 0.000 0.214 83 L C 0.953 177.833 176.870 0.017 0.000 1.119 83 L CA 0.776 55.616 54.840 -0.001 0.000 0.809 83 L CB 0.006 42.052 42.059 -0.022 0.000 0.933 83 L HN 0.217 nan 8.230 nan 0.000 0.449 84 D N 0.583 121.006 120.400 0.039 0.000 2.380 84 D HA 0.064 4.704 4.640 -0.000 0.000 0.230 84 D C 0.481 176.827 176.300 0.078 0.000 1.154 84 D CA -0.028 54.016 54.000 0.072 0.000 0.859 84 D CB 1.035 41.916 40.800 0.134 0.000 1.045 84 D HN 0.131 nan 8.370 nan 0.000 0.495 85 Q N 2.049 121.873 119.800 0.039 0.000 2.246 85 Q HA 0.052 4.391 4.340 -0.000 0.000 0.202 85 Q C 1.274 177.272 176.000 -0.004 0.000 0.883 85 Q CA 0.007 55.828 55.803 0.029 0.000 0.952 85 Q CB 0.479 29.221 28.738 0.006 0.000 1.078 85 Q HN 0.475 nan 8.270 nan 0.000 0.493 86 T N 0.579 115.116 114.554 -0.028 0.000 2.665 86 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 86 T C 0.182 174.687 174.700 -0.325 0.000 1.035 86 T CA 1.284 63.261 62.100 -0.205 0.000 1.151 86 T CB -0.050 68.677 68.868 -0.234 0.000 0.862 86 T HN 0.114 nan 8.240 nan 0.000 0.438 87 F N 1.357 121.338 119.950 0.051 0.000 2.436 87 F HA 0.501 5.028 4.527 0.000 0.000 0.340 87 F C 0.379 176.201 175.800 0.037 0.000 1.113 87 F CA -1.077 56.951 58.000 0.048 0.000 1.022 87 F CB 1.194 40.224 39.000 0.050 0.000 1.128 87 F HN -0.174 nan 8.300 nan 0.000 0.466 88 Q N 2.241 122.154 119.800 0.188 0.000 2.377 88 Q HA 0.468 4.808 4.340 -0.000 0.000 0.271 88 Q C -0.673 175.397 176.000 0.116 0.000 1.077 88 Q CA -1.056 54.818 55.803 0.118 0.000 0.820 88 Q CB 2.647 31.425 28.738 0.066 0.000 1.347 88 Q HN 0.586 nan 8.270 nan 0.000 0.444 89 V N -0.991 118.974 119.914 0.086 0.000 2.655 89 V HA 0.184 4.304 4.120 -0.000 0.000 0.300 89 V C 0.195 176.332 176.094 0.072 0.000 1.044 89 V CA -0.289 62.055 62.300 0.073 0.000 1.095 89 V CB 0.661 32.517 31.823 0.054 0.000 0.952 89 V HN 0.829 nan 8.190 nan 0.000 0.485 90 E N 3.609 123.854 120.200 0.075 0.000 2.014 90 E HA 0.287 4.637 4.350 -0.000 0.000 0.275 90 E C 0.521 177.169 176.600 0.080 0.000 0.997 90 E CA -0.485 55.968 56.400 0.088 0.000 0.804 90 E CB 0.949 30.708 29.700 0.099 0.000 1.090 90 E HN 0.811 nan 8.360 nan 0.000 0.401 91 K N 2.988 123.434 120.400 0.076 0.000 2.167 91 K HA 0.056 4.376 4.320 -0.000 0.000 0.203 91 K C 0.300 176.950 176.600 0.085 0.000 1.052 91 K CA 0.677 57.004 56.287 0.066 0.000 0.956 91 K CB 0.320 32.849 32.500 0.049 0.000 0.735 91 K HN 0.304 nan 8.250 nan 0.000 0.451 92 R N 1.947 122.522 120.500 0.125 0.000 2.358 92 R HA 0.207 4.547 4.340 -0.000 0.000 0.309 92 R C -2.619 173.826 176.300 0.241 0.000 1.026 92 R CA -1.806 54.403 56.100 0.181 0.000 0.909 92 R CB 1.314 31.739 30.300 0.210 0.000 1.153 92 R HN 0.014 nan 8.270 nan 0.000 0.515 93 P HA -0.135 nan 4.420 nan 0.000 0.263 93 P C -0.567 176.709 177.300 -0.039 0.000 1.195 93 P CA 0.262 63.412 63.100 0.084 0.000 0.762 93 P CB 0.552 32.271 31.700 0.032 0.000 0.799 94 H N 7.108 126.097 119.070 -0.135 0.000 2.964 94 H HA 0.020 4.576 4.556 -0.000 0.000 0.328 94 H C -1.120 173.875 175.328 -0.554 0.000 1.030 94 H CA -1.226 54.532 56.048 -0.484 0.000 1.445 94 H CB 0.829 30.507 29.762 -0.141 0.000 1.449 94 H HN 0.311 nan 8.280 nan 0.000 0.581 95 P HA -0.132 nan 4.420 nan 0.000 0.221 95 P C 1.200 178.378 177.300 -0.204 0.000 1.145 95 P CA 0.975 63.810 63.100 -0.441 0.000 0.795 95 P CB 0.367 31.744 31.700 -0.538 0.000 0.775 96 L N -1.143 120.030 121.223 -0.084 0.000 2.628 96 L HA 0.146 4.486 4.340 -0.000 0.000 0.229 96 L C 0.847 177.610 176.870 -0.179 0.000 1.137 96 L CA -0.293 54.401 54.840 -0.243 0.000 0.909 96 L CB -0.856 40.924 42.059 -0.464 0.000 1.137 96 L HN -0.063 nan 8.230 nan 0.000 0.470 97 N N 1.182 119.853 118.700 -0.048 0.000 2.356 97 N HA 0.117 4.857 4.740 -0.000 0.000 0.252 97 N C 0.448 175.971 175.510 0.020 0.000 1.241 97 N CA -0.197 52.910 53.050 0.095 0.000 0.861 97 N CB 0.800 39.330 38.487 0.070 0.000 1.075 97 N HN 0.186 nan 8.380 nan 0.000 0.461 98 A N 2.821 125.651 122.820 0.017 0.000 2.406 98 A HA 0.171 4.491 4.320 -0.000 0.000 0.243 98 A C 0.438 178.009 177.584 -0.020 0.000 1.082 98 A CA -0.407 51.619 52.037 -0.017 0.000 0.786 98 A CB 0.187 19.166 19.000 -0.036 0.000 1.029 98 A HN 0.635 nan 8.150 nan 0.000 0.495 99 L N 1.646 122.855 121.223 -0.025 0.000 2.540 99 L HA 0.102 4.442 4.340 -0.000 0.000 0.276 99 L C 1.438 178.292 176.870 -0.027 0.000 1.212 99 L CA 0.021 54.845 54.840 -0.025 0.000 0.893 99 L CB -0.144 41.898 42.059 -0.027 0.000 1.138 99 L HN 0.969 nan 8.230 nan 0.000 0.491 100 T N -0.103 114.435 114.554 -0.026 0.000 2.816 100 T HA 0.353 4.703 4.350 -0.000 0.000 0.282 100 T C 1.226 175.906 174.700 -0.033 0.000 0.993 100 T CA -0.234 61.850 62.100 -0.026 0.000 0.994 100 T CB 1.448 70.304 68.868 -0.021 0.000 1.025 100 T HN 0.622 nan 8.240 nan 0.000 0.529 101 A N 0.616 123.416 122.820 -0.033 0.000 1.940 101 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 101 A C 2.072 179.630 177.584 -0.043 0.000 1.176 101 A CA 1.694 53.707 52.037 -0.040 0.000 0.631 101 A CB -1.022 17.957 19.000 -0.035 0.000 0.814 101 A HN 0.924 nan 8.150 nan 0.000 0.446 102 D N -0.369 120.010 120.400 -0.035 0.000 2.144 102 D HA -0.121 4.519 4.640 -0.000 0.000 0.200 102 D C 1.864 178.142 176.300 -0.037 0.000 0.978 102 D CA 1.380 55.359 54.000 -0.034 0.000 0.833 102 D CB -0.273 40.513 40.800 -0.025 0.000 0.961 102 D HN 0.669 nan 8.370 nan 0.000 0.470 103 E N 0.312 120.491 120.200 -0.034 0.000 2.107 103 E HA -0.050 4.300 4.350 -0.000 0.000 0.191 103 E C 2.361 178.932 176.600 -0.048 0.000 0.982 103 E CA 0.233 56.613 56.400 -0.033 0.000 0.809 103 E CB 0.125 29.809 29.700 -0.027 0.000 0.756 103 E HN 0.296 nan 8.360 nan 0.000 0.459 104 I N 1.329 121.863 120.570 -0.060 0.000 2.226 104 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 104 I C 2.222 178.267 176.117 -0.119 0.000 1.100 104 I CA 1.293 62.538 61.300 -0.091 0.000 1.374 104 I CB -0.146 37.798 38.000 -0.094 0.000 1.057 104 I HN 0.019 nan 8.210 nan 0.000 0.413 105 K N 0.112 120.454 120.400 -0.097 0.000 2.155 105 K HA -0.193 4.127 4.320 -0.000 0.000 0.203 105 K C 2.140 178.691 176.600 -0.082 0.000 1.052 105 K CA 0.907 57.134 56.287 -0.101 0.000 0.948 105 K CB -0.131 32.323 32.500 -0.077 0.000 0.728 105 K HN 0.344 nan 8.250 nan 0.000 0.448 106 Q N 0.729 120.494 119.800 -0.059 0.000 2.020 106 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 106 Q C 2.107 178.086 176.000 -0.034 0.000 0.982 106 Q CA 1.579 57.358 55.803 -0.039 0.000 0.838 106 Q CB -0.113 28.609 28.738 -0.026 0.000 0.899 106 Q HN 0.320 nan 8.270 nan 0.000 0.423 107 A N 0.003 122.801 122.820 -0.037 0.000 1.908 107 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 107 A C 2.197 179.772 177.584 -0.016 0.000 1.181 107 A CA 1.697 53.726 52.037 -0.014 0.000 0.627 107 A CB -0.774 18.215 19.000 -0.019 0.000 0.818 107 A HN 0.321 nan 8.150 nan 0.000 0.445 108 V N 0.021 119.873 119.914 -0.103 0.000 2.427 108 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 108 V C 2.353 178.401 176.094 -0.077 0.000 1.051 108 V CA 2.190 64.406 62.300 -0.140 0.000 1.048 108 V CB -0.845 30.789 31.823 -0.315 0.000 0.666 108 V HN 0.638 nan 8.190 nan 0.000 0.456 109 E N -0.060 120.094 120.200 -0.076 0.000 2.106 109 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 109 E C 2.187 178.763 176.600 -0.039 0.000 0.984 109 E CA 1.292 57.650 56.400 -0.070 0.000 0.806 109 E CB -0.165 29.503 29.700 -0.054 0.000 0.750 109 E HN 0.565 nan 8.360 nan 0.000 0.458 110 I N 0.991 121.563 120.570 0.003 0.000 2.142 110 I HA -0.244 3.926 4.170 -0.000 0.000 0.240 110 I C 2.645 178.819 176.117 0.095 0.000 1.078 110 I CA 1.159 62.485 61.300 0.044 0.000 1.343 110 I CB -0.460 37.578 38.000 0.064 0.000 1.046 110 I HN 0.092 nan 8.210 nan 0.000 0.405 111 V N -1.611 118.405 119.914 0.169 0.000 2.667 111 V HA -0.148 3.972 4.120 -0.000 0.000 0.252 111 V C 2.151 178.355 176.094 0.182 0.000 1.065 111 V CA 1.327 63.846 62.300 0.366 0.000 1.083 111 V CB -0.847 31.320 31.823 0.572 0.000 0.692 111 V HN 0.331 nan 8.190 nan 0.000 0.468 112 K N 1.097 121.376 120.400 -0.202 0.000 2.288 112 K HA 0.188 4.508 4.320 -0.000 0.000 0.201 112 K C 2.201 178.673 176.600 -0.213 0.000 1.048 112 K CA 1.158 57.084 56.287 -0.600 0.000 0.956 112 K CB -0.283 31.857 32.500 -0.600 0.000 0.746 112 K HN 0.598 nan 8.250 nan 0.000 0.461 113 A N 1.095 123.862 122.820 -0.088 0.000 2.167 113 A HA -0.019 4.301 4.320 -0.000 0.000 0.214 113 A C 1.155 178.717 177.584 -0.036 0.000 1.151 113 A CA 0.297 52.305 52.037 -0.049 0.000 0.735 113 A CB -0.018 18.964 19.000 -0.030 0.000 0.802 113 A HN 0.166 nan 8.150 nan 0.000 0.467 114 S N -0.708 114.977 115.700 -0.026 0.000 2.565 114 S HA 0.441 4.911 4.470 -0.000 0.000 0.276 114 S C 1.230 175.763 174.600 -0.111 0.000 1.326 114 S CA -0.003 58.125 58.200 -0.119 0.000 1.045 114 S CB 1.144 64.171 63.200 -0.288 0.000 0.918 114 S HN 0.708 nan 8.310 nan 0.000 0.505 115 A N 3.359 126.085 122.820 -0.156 0.000 2.168 115 A HA 0.037 4.357 4.320 -0.000 0.000 0.215 115 A C 1.441 178.943 177.584 -0.136 0.000 1.152 115 A CA 1.036 53.008 52.037 -0.109 0.000 0.716 115 A CB -0.302 18.636 19.000 -0.104 0.000 0.794 115 A HN 0.870 nan 8.150 nan 0.000 0.465 116 D N -1.481 118.733 120.400 -0.309 0.000 2.348 116 D HA 0.051 4.691 4.640 -0.000 0.000 0.211 116 D C -0.016 176.261 176.300 -0.037 0.000 0.998 116 D CA 0.039 53.853 54.000 -0.310 0.000 0.873 116 D CB -0.088 40.270 40.800 -0.737 0.000 0.925 116 D HN 0.420 nan 8.370 nan 0.000 0.524 117 F N 3.191 123.092 119.950 -0.082 0.000 2.494 117 F HA 0.058 4.585 4.527 -0.000 0.000 0.369 117 F C 0.665 176.524 175.800 0.098 0.000 1.098 117 F CA -0.467 57.650 58.000 0.196 0.000 1.154 117 F CB 0.314 39.445 39.000 0.219 0.000 1.103 117 F HN -0.446 nan 8.300 nan 0.000 0.549 118 K N 7.696 127.979 120.400 -0.195 0.000 2.202 118 K HA 0.171 4.491 4.320 -0.000 0.000 0.264 118 K C -1.556 175.013 176.600 -0.053 0.000 1.010 118 K CA -1.713 54.514 56.287 -0.100 0.000 0.940 118 K CB 0.401 32.818 32.500 -0.139 0.000 0.983 118 K HN 0.308 nan 8.250 nan 0.000 0.475 119 P HA -0.182 nan 4.420 nan 0.000 0.217 119 P C -0.004 177.366 177.300 0.118 0.000 1.158 119 P CA 1.691 64.866 63.100 0.125 0.000 0.887 119 P CB 0.162 31.906 31.700 0.073 0.000 0.792 120 N N -2.223 116.494 118.700 0.029 0.000 2.321 120 N HA 0.097 4.837 4.740 -0.000 0.000 0.242 120 N C -0.548 174.943 175.510 -0.031 0.000 1.141 120 N CA -0.124 52.948 53.050 0.037 0.000 0.864 120 N CB 0.067 38.575 38.487 0.035 0.000 1.100 120 N HN 0.042 nan 8.380 nan 0.000 0.510 121 T N 1.285 115.736 114.554 -0.173 0.000 2.928 121 T HA 0.113 4.463 4.350 -0.000 0.000 0.305 121 T C 0.674 175.214 174.700 -0.267 0.000 1.035 121 T CA 0.434 62.307 62.100 -0.379 0.000 1.145 121 T CB 0.859 69.131 68.868 -0.993 0.000 0.963 121 T HN 0.161 nan 8.240 nan 0.000 0.545 122 R N 0.924 121.266 120.500 -0.264 0.000 2.875 122 R HA 0.612 4.952 4.340 -0.000 0.000 0.251 122 R C -1.049 175.031 176.300 -0.366 0.000 1.123 122 R CA -0.760 55.274 56.100 -0.110 0.000 1.064 122 R CB 1.040 31.432 30.300 0.154 0.000 1.205 122 R HN 0.455 nan 8.270 nan 0.000 0.503 123 F N -0.084 119.948 119.950 0.137 0.000 2.403 123 F HA 0.194 4.721 4.527 -0.000 0.000 0.355 123 F C 1.413 177.279 175.800 0.110 0.000 1.119 123 F CA -0.726 57.336 58.000 0.104 0.000 1.007 123 F CB 1.913 40.969 39.000 0.093 0.000 1.194 123 F HN 0.621 nan 8.300 nan 0.000 0.443 124 T N -1.721 112.946 114.554 0.188 0.000 2.904 124 T HA 0.041 4.391 4.350 -0.000 0.000 0.267 124 T C 0.360 175.144 174.700 0.140 0.000 1.059 124 T CA 0.772 62.957 62.100 0.143 0.000 1.137 124 T CB 0.207 69.129 68.868 0.090 0.000 0.879 124 T HN 0.606 nan 8.240 nan 0.000 0.467 125 E N -0.505 119.791 120.200 0.161 0.000 2.422 125 E HA 0.506 4.856 4.350 -0.000 0.000 0.289 125 E C -2.047 174.631 176.600 0.130 0.000 0.985 125 E CA -0.746 55.725 56.400 0.119 0.000 0.812 125 E CB 1.778 31.518 29.700 0.067 0.000 1.226 125 E HN 0.358 nan 8.360 nan 0.000 0.419 126 I N 2.936 123.557 120.570 0.085 0.000 2.476 126 I HA 0.367 4.537 4.170 -0.000 0.000 0.281 126 I C -0.786 175.346 176.117 0.025 0.000 1.040 126 I CA -0.380 60.952 61.300 0.053 0.000 1.094 126 I CB 1.731 39.725 38.000 -0.008 0.000 1.219 126 I HN 0.290 nan 8.210 nan 0.000 0.450 127 S N 4.673 120.391 115.700 0.029 0.000 2.627 127 S HA 0.548 5.018 4.470 -0.000 0.000 0.283 127 S C -0.784 173.821 174.600 0.009 0.000 1.127 127 S CA -0.670 57.538 58.200 0.014 0.000 0.863 127 S CB 2.418 65.632 63.200 0.023 0.000 1.121 127 S HN 0.471 nan 8.310 nan 0.000 0.479 128 L N 2.306 123.526 121.223 -0.005 0.000 2.499 128 L HA 0.338 4.678 4.340 -0.000 0.000 0.273 128 L C -0.605 176.263 176.870 -0.003 0.000 1.195 128 L CA -0.113 54.720 54.840 -0.011 0.000 0.882 128 L CB 0.026 42.069 42.059 -0.027 0.000 1.133 128 L HN 0.576 nan 8.230 nan 0.000 0.483 129 L N 9.120 130.344 121.223 0.002 0.000 2.283 129 L HA 0.486 4.826 4.340 -0.000 0.000 0.287 129 L C -2.094 174.776 176.870 0.002 0.000 1.073 129 L CA -1.986 52.859 54.840 0.008 0.000 0.822 129 L CB 0.098 42.166 42.059 0.016 0.000 1.186 129 L HN 0.563 nan 8.230 nan 0.000 0.436 130 P HA 0.100 nan 4.420 nan 0.000 0.261 130 P C -2.501 174.814 177.300 0.025 0.000 1.183 130 P CA -0.650 62.458 63.100 0.012 0.000 0.761 130 P CB -0.187 31.535 31.700 0.036 0.000 0.785 131 P HA 0.064 nan 4.420 nan 0.000 0.274 131 P C -0.533 176.789 177.300 0.038 0.000 1.260 131 P CA -0.121 62.985 63.100 0.011 0.000 0.793 131 P CB 0.183 31.870 31.700 -0.021 0.000 1.048 132 D N -0.979 119.439 120.400 0.030 0.000 2.424 132 D HA 0.030 4.670 4.640 -0.000 0.000 0.244 132 D C 1.100 177.394 176.300 -0.010 0.000 1.134 132 D CA -0.473 53.548 54.000 0.034 0.000 0.881 132 D CB 0.698 41.519 40.800 0.034 0.000 1.191 132 D HN 0.266 nan 8.370 nan 0.000 0.445 133 K N 1.946 122.286 120.400 -0.100 0.000 2.077 133 K HA -0.376 3.944 4.320 -0.000 0.000 0.213 133 K C 1.711 178.173 176.600 -0.231 0.000 1.051 133 K CA 1.957 57.972 56.287 -0.454 0.000 0.929 133 K CB -0.057 31.927 32.500 -0.860 0.000 0.715 133 K HN 0.718 nan 8.250 nan 0.000 0.451 134 E N -0.331 119.825 120.200 -0.074 0.000 2.070 134 E HA -0.247 4.103 4.350 -0.000 0.000 0.197 134 E C 1.827 178.485 176.600 0.097 0.000 1.004 134 E CA 1.347 57.776 56.400 0.048 0.000 0.805 134 E CB -0.220 29.500 29.700 0.032 0.000 0.744 134 E HN 0.478 nan 8.360 nan 0.000 0.451 135 A N 0.443 123.299 122.820 0.059 0.000 1.902 135 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 135 A C 2.416 180.062 177.584 0.104 0.000 1.181 135 A CA 1.522 53.605 52.037 0.076 0.000 0.623 135 A CB -0.650 18.377 19.000 0.044 0.000 0.818 135 A HN 0.240 nan 8.150 nan 0.000 0.443 136 V N -2.220 117.734 119.914 0.066 0.000 2.343 136 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 136 V C 2.234 178.429 176.094 0.168 0.000 1.051 136 V CA 1.805 64.132 62.300 0.043 0.000 1.036 136 V CB -1.048 30.802 31.823 0.046 0.000 0.654 136 V HN 0.793 nan 8.190 nan 0.000 0.451 137 W N -0.080 121.307 121.300 0.145 0.000 2.363 137 W HA -0.157 4.502 4.660 -0.000 0.000 0.296 137 W C 2.569 179.148 176.519 0.100 0.000 1.212 137 W CA 0.933 58.359 57.345 0.135 0.000 1.260 137 W CB -0.206 29.288 29.460 0.057 0.000 1.131 137 W HN 0.213 nan 8.180 nan 0.000 0.530 138 A N -0.514 122.501 122.820 0.324 0.000 1.969 138 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 138 A C 1.626 179.312 177.584 0.168 0.000 1.169 138 A CA 1.403 53.557 52.037 0.194 0.000 0.635 138 A CB -1.127 17.952 19.000 0.133 0.000 0.810 138 A HN 0.413 nan 8.150 nan 0.000 0.445 139 F N 0.936 120.913 119.950 0.045 0.000 2.113 139 F HA 0.013 4.540 4.527 -0.000 0.000 0.297 139 F C 2.426 178.228 175.800 0.005 0.000 1.103 139 F CA 1.249 59.236 58.000 -0.022 0.000 1.248 139 F CB -0.383 38.538 39.000 -0.133 0.000 0.999 139 F HN 0.224 nan 8.300 nan 0.000 0.475 140 A N 0.271 123.262 122.820 0.286 0.000 1.929 140 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 140 A C 2.158 179.851 177.584 0.182 0.000 1.176 140 A CA 1.681 53.877 52.037 0.265 0.000 0.628 140 A CB -0.890 18.366 19.000 0.426 0.000 0.816 140 A HN 0.496 nan 8.150 nan 0.000 0.444 141 L N -1.861 119.482 121.223 0.201 0.000 2.463 141 L HA 0.135 4.475 4.340 -0.000 0.000 0.219 141 L C 1.470 178.360 176.870 0.032 0.000 1.088 141 L CA 0.622 55.534 54.840 0.120 0.000 0.849 141 L CB 0.072 42.202 42.059 0.117 0.000 1.012 141 L HN 0.364 nan 8.230 nan 0.000 0.468 142 E N -0.967 119.234 120.200 0.002 0.000 2.676 142 E HA 0.124 4.474 4.350 -0.000 0.000 0.222 142 E C -0.211 176.330 176.600 -0.099 0.000 0.968 142 E CA -0.179 56.201 56.400 -0.033 0.000 1.090 142 E CB 0.633 30.331 29.700 -0.004 0.000 1.066 142 E HN 0.211 nan 8.360 nan 0.000 0.496 143 N N 1.670 120.241 118.700 -0.215 0.000 2.713 143 N HA -0.213 4.527 4.740 -0.000 0.000 0.251 143 N C -0.057 175.307 175.510 -0.244 0.000 1.117 143 N CA 1.058 53.884 53.050 -0.374 0.000 0.770 143 N CB -0.968 37.373 38.487 -0.244 0.000 1.137 143 N HN 0.256 nan 8.380 nan 0.000 0.566 144 K N 1.742 122.077 120.400 -0.109 0.000 2.379 144 K HA 0.195 4.515 4.320 -0.000 0.000 0.284 144 K C -2.404 174.255 176.600 0.098 0.000 1.044 144 K CA -1.076 55.211 56.287 0.001 0.000 0.974 144 K CB 0.685 33.206 32.500 0.035 0.000 0.962 144 K HN -0.150 nan 8.250 nan 0.000 0.474 145 P HA -0.033 nan 4.420 nan 0.000 0.268 145 P C -1.090 176.293 177.300 0.139 0.000 1.205 145 P CA -0.409 62.795 63.100 0.174 0.000 0.771 145 P CB 0.732 32.492 31.700 0.100 0.000 0.858 146 V N 3.583 123.570 119.914 0.122 0.000 2.389 146 V HA 0.035 4.155 4.120 -0.000 0.000 0.264 146 V C 1.066 177.179 176.094 0.030 0.000 1.049 146 V CA 0.388 62.717 62.300 0.048 0.000 0.932 146 V CB 0.385 32.191 31.823 -0.028 0.000 1.011 146 V HN 0.585 nan 8.190 nan 0.000 0.475 147 D N 5.052 125.471 120.400 0.032 0.000 3.038 147 D HA 0.143 4.783 4.640 -0.000 0.000 0.243 147 D C 0.082 176.391 176.300 0.016 0.000 1.245 147 D CA 0.079 54.093 54.000 0.024 0.000 0.871 147 D CB 0.246 41.062 40.800 0.026 0.000 1.089 147 D HN 0.661 nan 8.370 nan 0.000 0.464 148 Q N 1.279 121.084 119.800 0.008 0.000 2.323 148 Q HA 0.366 4.706 4.340 -0.000 0.000 0.271 148 Q C -2.359 173.640 176.000 -0.001 0.000 1.048 148 Q CA -1.827 53.979 55.803 0.005 0.000 0.792 148 Q CB 2.633 31.374 28.738 0.004 0.000 1.280 148 Q HN 0.137 nan 8.270 nan 0.000 0.441 149 P HA -0.000 nan 4.420 nan 0.000 0.268 149 P C -0.611 176.687 177.300 -0.004 0.000 1.204 149 P CA -0.136 62.965 63.100 0.001 0.000 0.768 149 P CB 0.697 32.401 31.700 0.007 0.000 0.842 150 R N 3.072 123.566 120.500 -0.010 0.000 2.502 150 R HA 0.123 4.463 4.340 -0.000 0.000 0.292 150 R C 0.589 176.887 176.300 -0.003 0.000 0.998 150 R CA 0.561 56.652 56.100 -0.015 0.000 1.056 150 R CB 0.160 30.450 30.300 -0.018 0.000 0.939 150 R HN 0.533 nan 8.270 nan 0.000 0.411 151 K N 0.771 121.171 120.400 -0.001 0.000 2.340 151 K HA 0.688 5.008 4.320 -0.000 0.000 0.244 151 K C -1.000 175.606 176.600 0.010 0.000 0.973 151 K CA -0.785 55.508 56.287 0.010 0.000 0.828 151 K CB 2.438 34.948 32.500 0.016 0.000 1.226 151 K HN 0.618 nan 8.250 nan 0.000 0.437 152 A N 1.562 124.395 122.820 0.021 0.000 2.393 152 A HA 0.389 4.709 4.320 -0.000 0.000 0.306 152 A C -1.419 176.188 177.584 0.038 0.000 1.050 152 A CA -0.811 51.240 52.037 0.023 0.000 0.724 152 A CB 0.986 19.996 19.000 0.018 0.000 1.248 152 A HN 0.639 nan 8.150 nan 0.000 0.424 153 D N 1.477 121.901 120.400 0.040 0.000 2.277 153 D HA 0.422 5.062 4.640 -0.000 0.000 0.249 153 D C -0.709 175.631 176.300 0.066 0.000 1.134 153 D CA 0.285 54.316 54.000 0.051 0.000 0.863 153 D CB 1.810 42.641 40.800 0.051 0.000 1.143 153 D HN 0.154 nan 8.370 nan 0.000 0.458 154 V N 4.704 124.663 119.914 0.076 0.000 2.349 154 V HA 0.322 4.442 4.120 -0.000 0.000 0.284 154 V C 0.338 176.483 176.094 0.084 0.000 1.014 154 V CA -0.675 61.700 62.300 0.125 0.000 0.826 154 V CB 1.122 33.049 31.823 0.173 0.000 1.009 154 V HN 0.365 nan 8.190 nan 0.000 0.431 155 I N 5.915 126.550 120.570 0.108 0.000 2.312 155 I HA 0.470 4.640 4.170 -0.000 0.000 0.290 155 I C -0.031 176.099 176.117 0.022 0.000 1.008 155 I CA -0.085 61.245 61.300 0.050 0.000 1.226 155 I CB 1.367 39.425 38.000 0.097 0.000 1.371 155 I HN 0.455 nan 8.210 nan 0.000 0.468 156 M N 6.487 126.008 119.600 -0.133 0.000 2.537 156 M HA 0.480 4.960 4.480 -0.000 0.000 0.324 156 M C -1.032 175.132 176.300 -0.226 0.000 1.187 156 M CA -0.857 54.280 55.300 -0.271 0.000 0.993 156 M CB 2.462 34.797 32.600 -0.442 0.000 1.666 156 M HN 0.342 nan 8.290 nan 0.000 0.461 157 L N 2.426 123.511 121.223 -0.230 0.000 2.345 157 L HA 0.399 4.739 4.340 -0.000 0.000 0.274 157 L C -1.236 175.532 176.870 -0.171 0.000 0.999 157 L CA -0.168 54.581 54.840 -0.151 0.000 0.849 157 L CB 0.980 42.992 42.059 -0.079 0.000 1.220 157 L HN 0.582 nan 8.230 nan 0.000 0.422 158 D N 4.335 124.651 120.400 -0.140 0.000 2.500 158 D HA 0.557 5.197 4.640 -0.000 0.000 0.219 158 D C 1.031 177.333 176.300 0.003 0.000 1.137 158 D CA 0.840 54.766 54.000 -0.123 0.000 0.946 158 D CB 0.507 41.220 40.800 -0.144 0.000 1.022 158 D HN 0.843 nan 8.370 nan 0.000 0.518 159 G N 4.793 113.585 108.800 -0.012 0.000 4.163 159 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.300 159 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.300 159 G C 0.816 175.716 174.900 0.000 0.000 1.488 159 G CA 0.701 45.817 45.100 0.027 0.000 1.052 159 G HN 0.664 nan 8.290 nan 0.000 0.687 160 K N 0.582 120.978 120.400 -0.007 0.000 2.517 160 K HA 0.398 4.718 4.320 -0.000 0.000 0.210 160 K C 0.003 176.423 176.600 -0.301 0.000 1.166 160 K CA -0.023 56.175 56.287 -0.149 0.000 1.030 160 K CB 0.448 32.833 32.500 -0.191 0.000 0.974 160 K HN 0.580 nan 8.250 nan 0.000 0.585 161 H N 1.437 120.437 119.070 -0.117 0.000 2.562 161 H HA 0.284 4.840 4.556 -0.000 0.000 0.314 161 H C -0.358 174.857 175.328 -0.188 0.000 1.079 161 H CA -0.612 55.344 56.048 -0.153 0.000 1.349 161 H CB 1.008 30.694 29.762 -0.126 0.000 1.432 161 H HN 0.032 nan 8.280 nan 0.000 0.479 162 I N 4.612 125.085 120.570 -0.162 0.000 2.395 162 I HA 0.130 4.300 4.170 -0.000 0.000 0.289 162 I C -0.154 175.835 176.117 -0.214 0.000 1.023 162 I CA -0.356 60.811 61.300 -0.221 0.000 1.350 162 I CB 0.360 38.123 38.000 -0.394 0.000 1.409 162 I HN 0.487 nan 8.210 nan 0.000 0.507 163 I N 6.136 126.557 120.570 -0.247 0.000 2.498 163 I HA 0.292 4.462 4.170 -0.000 0.000 0.290 163 I C 0.039 175.953 176.117 -0.338 0.000 1.032 163 I CA -0.434 60.656 61.300 -0.350 0.000 1.073 163 I CB 1.757 39.410 38.000 -0.578 0.000 1.251 163 I HN 0.432 nan 8.210 nan 0.000 0.426 164 E N 4.443 124.480 120.200 -0.271 0.000 2.133 164 E HA 0.783 5.133 4.350 -0.000 0.000 0.274 164 E C -0.864 175.617 176.600 -0.199 0.000 0.930 164 E CA -0.697 55.610 56.400 -0.155 0.000 0.770 164 E CB 1.831 31.516 29.700 -0.024 0.000 1.104 164 E HN 0.691 nan 8.360 nan 0.000 0.403 165 A N 2.695 125.424 122.820 -0.151 0.000 2.384 165 A HA 0.715 5.035 4.320 -0.000 0.000 0.312 165 A C -1.001 176.604 177.584 0.036 0.000 1.113 165 A CA -0.619 51.384 52.037 -0.057 0.000 0.779 165 A CB 1.562 20.523 19.000 -0.065 0.000 1.307 165 A HN 0.390 nan 8.150 nan 0.000 0.436 166 V N 1.577 121.538 119.914 0.079 0.000 2.531 166 V HA 0.591 4.711 4.120 -0.000 0.000 0.301 166 V C -0.364 175.783 176.094 0.089 0.000 1.034 166 V CA -0.464 61.880 62.300 0.073 0.000 0.865 166 V CB 1.526 33.386 31.823 0.061 0.000 0.995 166 V HN 1.146 nan 8.190 nan 0.000 0.424 167 V N 0.616 120.575 119.914 0.076 0.000 2.715 167 V HA 0.688 4.808 4.120 -0.000 0.000 0.310 167 V C -0.561 175.561 176.094 0.047 0.000 1.054 167 V CA -0.656 61.688 62.300 0.072 0.000 0.928 167 V CB 2.109 33.978 31.823 0.076 0.000 1.007 167 V HN 0.781 nan 8.190 nan 0.000 0.437 168 D N 3.162 123.587 120.400 0.042 0.000 2.411 168 D HA 0.349 4.989 4.640 -0.000 0.000 0.225 168 D C 0.927 177.240 176.300 0.021 0.000 1.156 168 D CA -0.101 53.916 54.000 0.029 0.000 0.874 168 D CB 1.351 42.167 40.800 0.028 0.000 1.034 168 D HN 0.655 nan 8.370 nan 0.000 0.502 169 L N 2.814 124.045 121.223 0.014 0.000 2.093 169 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 169 L C 2.488 179.360 176.870 0.004 0.000 1.085 169 L CA 0.812 55.656 54.840 0.007 0.000 0.755 169 L CB -0.233 41.826 42.059 -0.000 0.000 0.904 169 L HN 0.485 nan 8.230 nan 0.000 0.435 170 Q N 0.311 120.113 119.800 0.004 0.000 2.079 170 Q HA -0.161 4.179 4.340 -0.000 0.000 0.200 170 Q C 1.400 177.403 176.000 0.006 0.000 0.974 170 Q CA 1.395 57.200 55.803 0.004 0.000 0.840 170 Q CB 0.207 28.947 28.738 0.004 0.000 0.898 170 Q HN 0.504 nan 8.270 nan 0.000 0.430 171 N N 0.705 119.411 118.700 0.009 0.000 2.236 171 N HA -0.023 4.717 4.740 -0.000 0.000 0.196 171 N C -0.548 174.969 175.510 0.012 0.000 1.114 171 N CA 0.222 53.278 53.050 0.011 0.000 0.859 171 N CB 0.218 38.712 38.487 0.013 0.000 0.982 171 N HN 0.252 nan 8.380 nan 0.000 0.493 172 N N 1.735 120.442 118.700 0.012 0.000 2.642 172 N HA -0.225 4.515 4.740 -0.000 0.000 0.269 172 N C -1.150 174.371 175.510 0.019 0.000 1.073 172 N CA 0.825 53.883 53.050 0.013 0.000 0.748 172 N CB -0.880 37.611 38.487 0.006 0.000 0.894 172 N HN 0.490 nan 8.380 nan 0.000 0.548 173 K N -0.618 119.800 120.400 0.029 0.000 2.546 173 K HA 0.542 4.862 4.320 -0.000 0.000 0.264 173 K C -1.183 175.451 176.600 0.057 0.000 0.937 173 K CA -1.248 55.061 56.287 0.037 0.000 0.833 173 K CB 1.080 33.598 32.500 0.030 0.000 1.378 173 K HN 0.028 nan 8.250 nan 0.000 0.432 174 L N 3.590 124.856 121.223 0.072 0.000 2.361 174 L HA 0.210 4.550 4.340 -0.000 0.000 0.278 174 L C 0.175 177.104 176.870 0.099 0.000 1.113 174 L CA -0.064 54.843 54.840 0.111 0.000 0.849 174 L CB 0.326 42.471 42.059 0.142 0.000 1.155 174 L HN 0.877 nan 8.230 nan 0.000 0.452 175 L N 3.149 124.434 121.223 0.102 0.000 2.298 175 L HA 0.236 4.575 4.340 -0.000 0.000 0.209 175 L C 0.519 177.451 176.870 0.103 0.000 1.084 175 L CA 0.545 55.436 54.840 0.085 0.000 0.816 175 L CB -0.248 41.851 42.059 0.066 0.000 0.967 175 L HN 0.831 nan 8.230 nan 0.000 0.460 176 S N -2.422 113.363 115.700 0.142 0.000 2.565 176 S HA 0.412 4.881 4.470 -0.000 0.000 0.269 176 S C -1.963 172.796 174.600 0.266 0.000 1.153 176 S CA -0.760 57.541 58.200 0.167 0.000 0.835 176 S CB 2.151 65.417 63.200 0.110 0.000 1.122 176 S HN 0.208 nan 8.310 nan 0.000 0.462 177 W N 2.112 123.435 121.300 0.039 0.000 2.740 177 W HA 0.388 5.048 4.660 -0.000 0.000 0.316 177 W C -1.866 174.668 176.519 0.026 0.000 1.020 177 W CA -0.198 57.171 57.345 0.040 0.000 1.278 177 W CB 1.562 31.047 29.460 0.041 0.000 1.224 177 W HN 0.789 nan 8.180 nan 0.000 0.393 178 Q N 5.718 125.503 119.800 -0.024 0.000 2.339 178 Q HA 0.353 4.693 4.340 -0.000 0.000 0.268 178 Q C -2.355 173.594 176.000 -0.086 0.000 1.027 178 Q CA -1.820 53.985 55.803 0.003 0.000 0.759 178 Q CB 2.596 31.344 28.738 0.017 0.000 1.244 178 Q HN 0.170 nan 8.270 nan 0.000 0.464 179 P HA 0.154 nan 4.420 nan 0.000 0.271 179 P C -0.432 176.825 177.300 -0.072 0.000 1.216 179 P CA -0.163 62.901 63.100 -0.060 0.000 0.776 179 P CB 0.717 32.425 31.700 0.014 0.000 0.881 180 I N 2.764 123.256 120.570 -0.130 0.000 2.330 180 I HA 0.231 4.401 4.170 -0.000 0.000 0.286 180 I C 0.602 176.611 176.117 -0.179 0.000 1.025 180 I CA -1.176 60.028 61.300 -0.160 0.000 1.197 180 I CB 0.627 38.460 38.000 -0.278 0.000 1.358 180 I HN 0.263 nan 8.210 nan 0.000 0.467 181 K N 6.222 126.554 120.400 -0.113 0.000 2.451 181 K HA 0.025 4.345 4.320 -0.000 0.000 0.280 181 K C 0.530 177.034 176.600 -0.159 0.000 1.020 181 K CA 0.785 57.008 56.287 -0.107 0.000 1.008 181 K CB 0.220 32.687 32.500 -0.056 0.000 0.917 181 K HN 0.540 nan 8.250 nan 0.000 0.478 182 D N 0.550 120.827 120.400 -0.205 0.000 3.046 182 D HA -0.220 4.420 4.640 -0.000 0.000 0.210 182 D C -0.804 175.265 176.300 -0.385 0.000 1.124 182 D CA 1.498 55.335 54.000 -0.271 0.000 0.986 182 D CB -1.314 39.387 40.800 -0.166 0.000 1.118 182 D HN 0.601 nan 8.370 nan 0.000 0.416 183 A N 0.728 123.295 122.820 -0.422 0.000 2.301 183 A HA 0.462 4.782 4.320 -0.000 0.000 0.298 183 A C 0.141 177.410 177.584 -0.525 0.000 1.185 183 A CA -0.270 51.469 52.037 -0.496 0.000 0.830 183 A CB 0.738 19.258 19.000 -0.800 0.000 1.112 183 A HN 0.155 nan 8.150 nan 0.000 0.508 184 H N 1.159 120.086 119.070 -0.238 0.000 2.481 184 H HA 0.440 4.996 4.556 -0.000 0.000 0.339 184 H C 0.875 176.121 175.328 -0.136 0.000 1.131 184 H CA 0.533 56.470 56.048 -0.186 0.000 1.301 184 H CB 1.703 31.384 29.762 -0.134 0.000 1.476 184 H HN 0.844 nan 8.280 nan 0.000 0.529 185 G N 1.823 110.626 108.800 0.005 0.000 2.507 185 G HA2 0.368 4.328 3.960 -0.000 0.000 0.271 185 G HA3 0.368 4.328 3.960 -0.000 0.000 0.271 185 G C 0.658 175.561 174.900 0.006 0.000 1.189 185 G CA -0.719 44.388 45.100 0.010 0.000 0.859 185 G HN 0.655 nan 8.290 nan 0.000 0.542 186 M N 0.268 119.870 119.600 0.003 0.000 2.113 186 M HA 0.421 4.901 4.480 -0.000 0.000 0.288 186 M C -0.237 175.994 176.300 -0.115 0.000 1.225 186 M CA -0.329 54.927 55.300 -0.073 0.000 1.148 186 M CB 0.264 32.827 32.600 -0.062 0.000 1.388 186 M HN 0.116 nan 8.290 nan 0.000 0.469 187 V N 2.063 121.839 119.914 -0.231 0.000 2.583 187 V HA 0.333 4.453 4.120 -0.000 0.000 0.287 187 V C 0.306 176.382 176.094 -0.031 0.000 1.051 187 V CA -0.411 61.769 62.300 -0.200 0.000 1.010 187 V CB 0.759 32.314 31.823 -0.447 0.000 0.988 187 V HN 0.647 nan 8.190 nan 0.000 0.478 188 L N 4.010 125.237 121.223 0.007 0.000 2.322 188 L HA 0.449 4.789 4.340 -0.000 0.000 0.269 188 L C 1.149 177.983 176.870 -0.060 0.000 1.012 188 L CA -0.791 54.017 54.840 -0.052 0.000 0.815 188 L CB 1.801 43.771 42.059 -0.149 0.000 1.295 188 L HN 0.509 nan 8.230 nan 0.000 0.438 189 L N 0.873 121.890 121.223 -0.344 0.000 2.021 189 L HA -0.264 4.076 4.340 -0.000 0.000 0.215 189 L C 2.172 178.885 176.870 -0.262 0.000 1.074 189 L CA 1.743 56.333 54.840 -0.417 0.000 0.760 189 L CB -0.474 41.338 42.059 -0.411 0.000 0.889 189 L HN 0.864 nan 8.230 nan 0.000 0.433 190 D N -0.901 119.181 120.400 -0.531 0.000 2.263 190 D HA -0.225 4.415 4.640 -0.000 0.000 0.208 190 D C 1.381 177.675 176.300 -0.009 0.000 0.971 190 D CA 1.136 55.029 54.000 -0.178 0.000 0.867 190 D CB -0.484 40.253 40.800 -0.105 0.000 0.929 190 D HN 0.348 nan 8.370 nan 0.000 0.492 191 D N -0.142 120.274 120.400 0.027 0.000 2.219 191 D HA -0.096 4.544 4.640 -0.000 0.000 0.205 191 D C 1.754 178.106 176.300 0.087 0.000 0.970 191 D CA 0.471 54.496 54.000 0.042 0.000 0.851 191 D CB -0.366 40.429 40.800 -0.007 0.000 0.943 191 D HN 0.246 nan 8.370 nan 0.000 0.488 192 F N 1.630 121.544 119.950 -0.061 0.000 2.102 192 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 192 F C 2.556 178.330 175.800 -0.044 0.000 1.105 192 F CA 0.782 58.765 58.000 -0.028 0.000 1.239 192 F CB -0.891 38.107 39.000 -0.003 0.000 0.991 192 F HN -0.081 nan 8.300 nan 0.000 0.474 193 A N -0.721 122.199 122.820 0.167 0.000 1.930 193 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 193 A C 2.388 179.985 177.584 0.021 0.000 1.175 193 A CA 1.747 53.827 52.037 0.072 0.000 0.627 193 A CB -1.044 17.993 19.000 0.060 0.000 0.815 193 A HN 0.304 nan 8.150 nan 0.000 0.443 194 S N -0.144 115.564 115.700 0.014 0.000 2.351 194 S HA -0.179 4.291 4.470 -0.000 0.000 0.220 194 S C 1.921 176.488 174.600 -0.055 0.000 1.035 194 S CA 1.575 59.764 58.200 -0.019 0.000 1.031 194 S CB -0.722 62.465 63.200 -0.022 0.000 0.928 194 S HN 0.340 nan 8.310 nan 0.000 0.433 195 V N 1.891 121.759 119.914 -0.076 0.000 2.278 195 V HA -0.279 3.841 4.120 -0.000 0.000 0.251 195 V C 2.664 178.671 176.094 -0.146 0.000 1.062 195 V CA 2.342 64.566 62.300 -0.128 0.000 1.038 195 V CB -0.786 30.946 31.823 -0.151 0.000 0.646 195 V HN 0.415 nan 8.190 nan 0.000 0.447 196 Q N 0.446 120.183 119.800 -0.105 0.000 2.079 196 Q HA -0.179 4.161 4.340 -0.000 0.000 0.200 196 Q C 2.097 178.040 176.000 -0.096 0.000 0.974 196 Q CA 2.106 57.843 55.803 -0.109 0.000 0.840 196 Q CB -0.570 28.128 28.738 -0.067 0.000 0.898 196 Q HN 0.689 nan 8.270 nan 0.000 0.430 197 N N -0.172 118.489 118.700 -0.065 0.000 2.216 197 N HA -0.094 4.646 4.740 -0.000 0.000 0.183 197 N C 1.762 177.233 175.510 -0.065 0.000 1.017 197 N CA 1.238 54.259 53.050 -0.049 0.000 0.861 197 N CB -0.049 38.423 38.487 -0.025 0.000 0.986 197 N HN 0.388 nan 8.380 nan 0.000 0.428 198 I N 0.452 120.970 120.570 -0.086 0.000 2.179 198 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 198 I C 2.024 178.059 176.117 -0.136 0.000 1.088 198 I CA 0.743 61.985 61.300 -0.097 0.000 1.357 198 I CB -0.164 37.771 38.000 -0.108 0.000 1.051 198 I HN 0.055 nan 8.210 nan 0.000 0.409 199 I N 1.056 121.490 120.570 -0.225 0.000 2.226 199 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 199 I C 2.085 178.116 176.117 -0.144 0.000 1.100 199 I CA 1.732 62.810 61.300 -0.369 0.000 1.374 199 I CB -0.770 36.830 38.000 -0.667 0.000 1.057 199 I HN 0.217 nan 8.210 nan 0.000 0.413 200 N N 0.260 118.908 118.700 -0.087 0.000 2.192 200 N HA -0.195 4.545 4.740 -0.000 0.000 0.188 200 N C 0.915 176.431 175.510 0.010 0.000 1.013 200 N CA 1.282 54.325 53.050 -0.012 0.000 0.863 200 N CB -0.320 38.155 38.487 -0.020 0.000 0.990 200 N HN 0.526 nan 8.380 nan 0.000 0.430 201 N N -0.204 118.491 118.700 -0.009 0.000 2.268 201 N HA 0.024 4.764 4.740 -0.000 0.000 0.204 201 N C -0.588 174.931 175.510 0.015 0.000 1.124 201 N CA -0.254 52.798 53.050 0.003 0.000 0.838 201 N CB 0.584 39.067 38.487 -0.008 0.000 0.994 201 N HN -0.061 nan 8.380 nan 0.000 0.489 202 S N 1.639 117.360 115.700 0.035 0.000 2.410 202 S HA 0.041 4.511 4.470 -0.000 0.000 0.304 202 S C 1.329 175.989 174.600 0.100 0.000 1.095 202 S CA -0.782 57.457 58.200 0.066 0.000 1.089 202 S CB 0.611 63.862 63.200 0.086 0.000 0.968 202 S HN 0.228 nan 8.310 nan 0.000 0.480 203 E N 5.269 125.504 120.200 0.059 0.000 2.072 203 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 203 E C 1.118 177.744 176.600 0.043 0.000 0.985 203 E CA 1.404 57.829 56.400 0.042 0.000 0.801 203 E CB -0.590 29.124 29.700 0.022 0.000 0.750 203 E HN 0.870 nan 8.360 nan 0.000 0.452 204 E N 0.081 120.313 120.200 0.053 0.000 2.051 204 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 204 E C 1.959 178.591 176.600 0.054 0.000 0.991 204 E CA 1.246 57.671 56.400 0.042 0.000 0.799 204 E CB -0.411 29.317 29.700 0.047 0.000 0.748 204 E HN 0.229 nan 8.360 nan 0.000 0.449 205 F N 1.619 121.552 119.950 -0.030 0.000 2.102 205 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 205 F C 2.287 178.069 175.800 -0.030 0.000 1.105 205 F CA 1.496 59.475 58.000 -0.034 0.000 1.239 205 F CB -0.458 38.518 39.000 -0.040 0.000 0.991 205 F HN -0.046 nan 8.300 nan 0.000 0.474 206 A N 0.282 123.123 122.820 0.036 0.000 1.940 206 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 206 A C 2.405 179.917 177.584 -0.120 0.000 1.176 206 A CA 1.970 53.979 52.037 -0.048 0.000 0.631 206 A CB -1.575 17.444 19.000 0.031 0.000 0.814 206 A HN 0.528 nan 8.150 nan 0.000 0.446 207 A N -0.169 122.599 122.820 -0.086 0.000 1.877 207 A HA 0.171 4.491 4.320 -0.000 0.000 0.216 207 A C 2.541 180.045 177.584 -0.133 0.000 1.186 207 A CA 2.123 54.110 52.037 -0.083 0.000 0.620 207 A CB -1.110 17.862 19.000 -0.048 0.000 0.822 207 A HN 1.098 nan 8.150 nan 0.000 0.443 208 A N -0.520 122.186 122.820 -0.190 0.000 1.908 208 A HA -0.030 4.290 4.320 -0.000 0.000 0.218 208 A C 2.235 179.650 177.584 -0.282 0.000 1.181 208 A CA 1.903 53.805 52.037 -0.225 0.000 0.627 208 A CB -1.001 17.842 19.000 -0.262 0.000 0.818 208 A HN 0.419 nan 8.150 nan 0.000 0.445 209 V N 0.303 119.963 119.914 -0.424 0.000 2.343 209 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 209 V C 2.560 178.544 176.094 -0.183 0.000 1.051 209 V CA 2.458 64.545 62.300 -0.356 0.000 1.036 209 V CB -0.697 30.876 31.823 -0.418 0.000 0.654 209 V HN 0.655 nan 8.190 nan 0.000 0.451 210 K N 1.326 121.639 120.400 -0.145 0.000 2.063 210 K HA -0.239 4.081 4.320 -0.000 0.000 0.208 210 K C 2.153 178.709 176.600 -0.074 0.000 1.048 210 K CA 1.953 58.187 56.287 -0.087 0.000 0.928 210 K CB -0.513 31.946 32.500 -0.068 0.000 0.713 210 K HN 0.419 nan 8.250 nan 0.000 0.442 211 K N 0.296 120.645 120.400 -0.085 0.000 2.211 211 K HA -0.145 4.175 4.320 -0.000 0.000 0.204 211 K C 1.062 177.628 176.600 -0.057 0.000 1.047 211 K CA 1.358 57.606 56.287 -0.065 0.000 0.935 211 K CB 0.006 32.464 32.500 -0.069 0.000 0.728 211 K HN 0.128 nan 8.250 nan 0.000 0.452 212 R N -0.864 119.592 120.500 -0.073 0.000 2.426 212 R HA 0.090 4.430 4.340 -0.000 0.000 0.263 212 R C 0.699 176.978 176.300 -0.035 0.000 0.961 212 R CA 0.439 56.507 56.100 -0.053 0.000 1.086 212 R CB 0.602 30.860 30.300 -0.069 0.000 1.186 212 R HN 0.496 nan 8.270 nan 0.000 0.537 213 G N 1.055 109.835 108.800 -0.034 0.000 2.195 213 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.246 213 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.246 213 G C 0.025 174.913 174.900 -0.020 0.000 0.984 213 G CA -0.432 44.657 45.100 -0.019 0.000 0.633 213 G HN 0.164 nan 8.290 nan 0.000 0.525 214 I N 2.647 123.197 120.570 -0.033 0.000 2.379 214 I HA 0.335 4.505 4.170 -0.000 0.000 0.290 214 I C 1.921 178.021 176.117 -0.029 0.000 1.063 214 I CA 0.831 62.114 61.300 -0.028 0.000 1.351 214 I CB 1.309 39.285 38.000 -0.039 0.000 1.410 214 I HN 0.286 nan 8.210 nan 0.000 0.505 215 T N 0.417 114.961 114.554 -0.018 0.000 2.942 215 T HA -0.021 4.329 4.350 -0.000 0.000 0.265 215 T C 0.709 175.401 174.700 -0.014 0.000 1.062 215 T CA 0.533 62.624 62.100 -0.016 0.000 1.139 215 T CB 0.044 68.905 68.868 -0.011 0.000 0.883 215 T HN 0.505 nan 8.240 nan 0.000 0.468 216 D N 0.812 121.206 120.400 -0.010 0.000 2.446 216 D HA 0.571 5.211 4.640 -0.000 0.000 0.251 216 D C 0.987 177.288 176.300 0.000 0.000 1.137 216 D CA -0.281 53.716 54.000 -0.005 0.000 0.890 216 D CB 1.454 42.252 40.800 -0.003 0.000 1.071 216 D HN 0.212 nan 8.370 nan 0.000 0.528 217 A N 4.062 126.884 122.820 0.003 0.000 2.131 217 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 217 A C 1.784 179.391 177.584 0.038 0.000 1.158 217 A CA 1.095 53.146 52.037 0.023 0.000 0.665 217 A CB -0.143 18.875 19.000 0.031 0.000 0.795 217 A HN 0.539 nan 8.150 nan 0.000 0.460 218 K N -0.338 120.075 120.400 0.021 0.000 2.504 218 K HA -0.028 4.292 4.320 -0.000 0.000 0.195 218 K C 0.956 177.560 176.600 0.007 0.000 1.036 218 K CA 0.891 57.187 56.287 0.015 0.000 0.984 218 K CB 0.006 32.511 32.500 0.008 0.000 0.788 218 K HN 0.447 nan 8.250 nan 0.000 0.488 219 K N 0.590 120.995 120.400 0.009 0.000 2.374 219 K HA 0.106 4.426 4.320 -0.000 0.000 0.196 219 K C -0.249 176.354 176.600 0.006 0.000 1.023 219 K CA -0.078 56.211 56.287 0.003 0.000 1.103 219 K CB 0.872 33.373 32.500 0.002 0.000 0.848 219 K HN -0.136 nan 8.250 nan 0.000 0.528 220 V N 3.296 123.223 119.914 0.021 0.000 2.455 220 V HA 0.099 4.219 4.120 -0.000 0.000 0.273 220 V C 0.047 176.124 176.094 -0.029 0.000 1.045 220 V CA -0.294 62.028 62.300 0.037 0.000 0.976 220 V CB 0.705 32.605 31.823 0.129 0.000 0.993 220 V HN 0.139 nan 8.190 nan 0.000 0.475 221 I N 5.125 125.642 120.570 -0.089 0.000 2.336 221 I HA 0.375 4.545 4.170 -0.000 0.000 0.292 221 I C 0.699 176.700 176.117 -0.194 0.000 0.991 221 I CA -0.043 61.098 61.300 -0.266 0.000 1.227 221 I CB 1.596 39.184 38.000 -0.687 0.000 1.366 221 I HN 0.723 nan 8.210 nan 0.000 0.466 222 T N 2.021 116.458 114.554 -0.195 0.000 2.912 222 T HA 0.771 5.121 4.350 -0.000 0.000 0.280 222 T C 0.094 174.721 174.700 -0.122 0.000 0.989 222 T CA -0.587 61.428 62.100 -0.143 0.000 0.995 222 T CB 1.809 70.572 68.868 -0.175 0.000 1.077 222 T HN 0.687 nan 8.240 nan 0.000 0.531 223 T N -1.035 113.480 114.554 -0.064 0.000 2.921 223 T HA 0.593 4.943 4.350 -0.000 0.000 0.297 223 T C -3.343 171.300 174.700 -0.095 0.000 1.013 223 T CA -1.903 60.180 62.100 -0.029 0.000 0.990 223 T CB 1.582 70.528 68.868 0.129 0.000 1.023 223 T HN 0.418 nan 8.240 nan 0.000 0.447 224 P HA 0.461 nan 4.420 nan 0.000 0.283 224 P C -0.858 176.405 177.300 -0.062 0.000 1.412 224 P CA -0.459 62.490 63.100 -0.252 0.000 0.912 224 P CB 0.194 31.517 31.700 -0.628 0.000 1.132 225 L N 2.876 124.127 121.223 0.047 0.000 2.307 225 L HA 0.469 4.809 4.340 -0.000 0.000 0.284 225 L C 0.947 177.952 176.870 0.225 0.000 1.023 225 L CA -0.810 54.181 54.840 0.252 0.000 0.810 225 L CB 1.561 43.855 42.059 0.392 0.000 1.231 225 L HN 0.247 nan 8.230 nan 0.000 0.423 226 T N -1.187 113.556 114.554 0.315 0.000 2.932 226 T HA 0.127 4.477 4.350 -0.000 0.000 0.312 226 T C 1.085 175.902 174.700 0.195 0.000 1.071 226 T CA -0.492 61.706 62.100 0.163 0.000 1.128 226 T CB 1.394 70.365 68.868 0.170 0.000 0.984 226 T HN 0.503 nan 8.240 nan 0.000 0.549 227 V N -0.614 119.335 119.914 0.059 0.000 3.590 227 V HA 0.533 4.653 4.120 -0.000 0.000 0.265 227 V C 1.331 177.534 176.094 0.182 0.000 1.239 227 V CA 0.635 62.965 62.300 0.051 0.000 1.117 227 V CB -1.603 30.152 31.823 -0.114 0.000 0.818 227 V HN 1.665 nan 8.190 nan 0.000 0.451 228 G N 0.292 109.154 108.800 0.103 0.000 2.593 228 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.237 228 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.237 228 G C -0.759 174.140 174.900 -0.002 0.000 1.312 228 G CA 0.348 45.469 45.100 0.035 0.000 0.896 228 G HN 1.400 nan 8.290 nan 0.000 0.574 229 Y N -0.708 119.343 120.300 -0.415 0.000 2.433 229 Y HA 0.677 5.227 4.550 -0.000 0.000 0.337 229 Y C -0.528 174.806 175.900 -0.943 0.000 1.026 229 Y CA -1.598 56.211 58.100 -0.485 0.000 1.037 229 Y CB 1.394 39.598 38.460 -0.426 0.000 1.245 229 Y HN 0.539 nan 8.280 nan 0.000 0.443 230 F N 3.684 122.994 119.950 -1.067 0.000 2.777 230 F HA 0.211 4.738 4.527 -0.000 0.000 0.361 230 F C 0.373 175.466 175.800 -1.179 0.000 1.254 230 F CA -0.673 56.740 58.000 -0.977 0.000 1.181 230 F CB 0.358 39.179 39.000 -0.298 0.000 1.082 230 F HN 0.604 nan 8.300 nan 0.000 0.510 231 D N 1.164 120.395 120.400 -1.948 0.000 2.701 231 D HA -0.200 4.440 4.640 -0.000 0.000 0.235 231 D C 1.470 177.522 176.300 -0.413 0.000 1.155 231 D CA 1.489 54.852 54.000 -1.062 0.000 0.649 231 D CB -0.832 39.687 40.800 -0.467 0.000 1.050 231 D HN 0.781 nan 8.370 nan 0.000 0.425 232 G N -0.195 108.383 108.800 -0.371 0.000 2.245 232 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.264 232 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.264 232 G C 1.252 176.093 174.900 -0.098 0.000 0.985 232 G CA 0.691 45.701 45.100 -0.150 0.000 0.625 232 G HN 0.457 nan 8.290 nan 0.000 0.536 233 K N 1.173 121.516 120.400 -0.094 0.000 2.360 233 K HA -0.044 4.276 4.320 -0.000 0.000 0.201 233 K C 1.801 178.340 176.600 -0.101 0.000 1.046 233 K CA 1.568 57.815 56.287 -0.067 0.000 0.945 233 K CB -0.208 32.276 32.500 -0.027 0.000 0.750 233 K HN 0.783 nan 8.250 nan 0.000 0.464 234 D N -0.754 119.599 120.400 -0.077 0.000 2.339 234 D HA 0.035 4.675 4.640 -0.000 0.000 0.217 234 D C 0.972 177.244 176.300 -0.046 0.000 1.050 234 D CA 0.528 54.488 54.000 -0.067 0.000 0.856 234 D CB -0.123 40.682 40.800 0.009 0.000 0.922 234 D HN 0.143 nan 8.370 nan 0.000 0.518 235 G N 0.788 109.557 108.800 -0.052 0.000 2.198 235 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.260 235 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.260 235 G C -0.065 174.810 174.900 -0.041 0.000 1.025 235 G CA 0.398 45.472 45.100 -0.044 0.000 0.769 235 G HN 0.422 nan 8.290 nan 0.000 0.507 236 L N -0.295 120.905 121.223 -0.039 0.000 2.317 236 L HA 0.446 4.786 4.340 -0.000 0.000 0.281 236 L C 0.892 177.749 176.870 -0.021 0.000 1.024 236 L CA -1.002 53.815 54.840 -0.038 0.000 0.810 236 L CB 1.646 43.678 42.059 -0.045 0.000 1.240 236 L HN 0.140 nan 8.230 nan 0.000 0.427 237 K N 1.783 122.172 120.400 -0.019 0.000 2.416 237 K HA -0.060 4.260 4.320 -0.000 0.000 0.283 237 K C 0.727 177.340 176.600 0.022 0.000 1.037 237 K CA -0.093 56.194 56.287 0.000 0.000 0.995 237 K CB 0.952 33.449 32.500 -0.006 0.000 0.938 237 K HN 0.479 nan 8.250 nan 0.000 0.475 238 Q N 2.885 122.719 119.800 0.056 0.000 2.230 238 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 238 Q C 1.117 177.202 176.000 0.142 0.000 0.963 238 Q CA 1.845 57.714 55.803 0.109 0.000 0.866 238 Q CB 0.064 28.878 28.738 0.127 0.000 0.931 238 Q HN 0.797 nan 8.270 nan 0.000 0.452 239 D N -0.756 119.689 120.400 0.074 0.000 2.347 239 D HA 0.029 4.669 4.640 -0.000 0.000 0.213 239 D C -0.368 175.977 176.300 0.075 0.000 0.985 239 D CA 0.447 54.476 54.000 0.048 0.000 0.879 239 D CB 0.135 40.935 40.800 -0.001 0.000 0.919 239 D HN 0.257 nan 8.370 nan 0.000 0.526 240 A N 0.895 123.750 122.820 0.058 0.000 2.327 240 A HA 0.370 4.690 4.320 -0.000 0.000 0.283 240 A C 0.328 177.906 177.584 -0.010 0.000 1.127 240 A CA -0.530 51.515 52.037 0.013 0.000 0.810 240 A CB 0.525 19.512 19.000 -0.022 0.000 1.066 240 A HN 0.201 nan 8.150 nan 0.000 0.492 241 R N 2.699 123.180 120.500 -0.031 0.000 2.248 241 R HA 0.459 4.799 4.340 -0.000 0.000 0.337 241 R C -1.153 175.073 176.300 -0.123 0.000 1.085 241 R CA 0.040 56.089 56.100 -0.084 0.000 0.934 241 R CB -0.284 29.987 30.300 -0.049 0.000 1.034 241 R HN 0.706 nan 8.270 nan 0.000 0.465 242 L N 4.873 125.988 121.223 -0.179 0.000 2.303 242 L HA 0.673 5.013 4.340 -0.000 0.000 0.266 242 L C -0.566 176.206 176.870 -0.163 0.000 1.011 242 L CA -1.255 53.490 54.840 -0.157 0.000 0.818 242 L CB 1.882 43.848 42.059 -0.154 0.000 1.326 242 L HN 0.475 nan 8.230 nan 0.000 0.435 243 L N 0.927 122.058 121.223 -0.154 0.000 2.513 243 L HA 0.444 4.784 4.340 -0.000 0.000 0.261 243 L C -0.959 175.809 176.870 -0.170 0.000 0.945 243 L CA -0.682 54.071 54.840 -0.145 0.000 0.848 243 L CB 2.779 44.753 42.059 -0.142 0.000 1.334 243 L HN 0.529 nan 8.230 nan 0.000 0.407 244 K N 1.505 121.796 120.400 -0.181 0.000 2.110 244 K HA 0.675 4.995 4.320 -0.000 0.000 0.263 244 K C -1.112 175.409 176.600 -0.132 0.000 0.975 244 K CA -0.667 55.469 56.287 -0.252 0.000 0.895 244 K CB 2.368 34.520 32.500 -0.580 0.000 1.060 244 K HN 0.224 nan 8.250 nan 0.000 0.448 245 V N 4.631 124.460 119.914 -0.141 0.000 2.378 245 V HA 0.327 4.447 4.120 -0.000 0.000 0.288 245 V C -0.298 175.748 176.094 -0.080 0.000 1.016 245 V CA -0.905 61.324 62.300 -0.119 0.000 0.840 245 V CB 1.184 32.887 31.823 -0.200 0.000 0.994 245 V HN 0.603 nan 8.190 nan 0.000 0.431 246 I N 3.567 124.099 120.570 -0.063 0.000 2.377 246 I HA 0.536 4.706 4.170 -0.000 0.000 0.293 246 I C 0.409 176.406 176.117 -0.200 0.000 0.987 246 I CA 0.239 61.459 61.300 -0.134 0.000 1.185 246 I CB 1.920 39.823 38.000 -0.163 0.000 1.341 246 I HN 0.594 nan 8.210 nan 0.000 0.455 247 S N 5.574 121.107 115.700 -0.278 0.000 2.607 247 S HA 0.783 5.253 4.470 -0.000 0.000 0.303 247 S C -1.066 173.223 174.600 -0.518 0.000 1.086 247 S CA -0.482 57.576 58.200 -0.237 0.000 0.995 247 S CB 1.954 65.180 63.200 0.044 0.000 1.084 247 S HN 0.371 nan 8.310 nan 0.000 0.507 248 Y N 0.089 120.387 120.300 -0.002 0.000 2.609 248 Y HA 0.642 5.192 4.550 -0.000 0.000 0.342 248 Y C -0.769 175.167 175.900 0.061 0.000 1.058 248 Y CA -1.137 57.005 58.100 0.071 0.000 1.055 248 Y CB 1.035 39.566 38.460 0.119 0.000 1.292 248 Y HN 0.452 nan 8.280 nan 0.000 0.476 249 L N 2.268 123.673 121.223 0.303 0.000 2.287 249 L HA 0.426 4.766 4.340 -0.000 0.000 0.287 249 L C -0.804 176.163 176.870 0.163 0.000 1.022 249 L CA -0.443 54.499 54.840 0.170 0.000 0.814 249 L CB 0.753 42.881 42.059 0.115 0.000 1.217 249 L HN 0.601 nan 8.230 nan 0.000 0.420 250 D N 3.211 123.664 120.400 0.089 0.000 2.339 250 D HA 0.173 4.813 4.640 -0.000 0.000 0.256 250 D C 0.688 176.982 176.300 -0.010 0.000 1.214 250 D CA 0.050 54.098 54.000 0.081 0.000 0.877 250 D CB 1.170 41.997 40.800 0.045 0.000 1.111 250 D HN 0.377 nan 8.370 nan 0.000 0.478 251 V N 1.483 121.352 119.914 -0.075 0.000 3.427 251 V HA 0.473 4.593 4.120 -0.000 0.000 0.305 251 V C 1.260 177.320 176.094 -0.058 0.000 1.412 251 V CA 0.241 62.459 62.300 -0.137 0.000 1.086 251 V CB -0.156 31.454 31.823 -0.355 0.000 0.964 251 V HN 0.746 nan 8.190 nan 0.000 0.439 252 G N 2.252 111.046 108.800 -0.010 0.000 2.136 252 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.242 252 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.242 252 G C 0.215 175.112 174.900 -0.006 0.000 0.989 252 G CA 0.514 45.612 45.100 -0.004 0.000 0.682 252 G HN 0.841 nan 8.290 nan 0.000 0.522 253 D N -0.437 119.972 120.400 0.015 0.000 2.363 253 D HA 0.381 5.021 4.640 -0.000 0.000 0.214 253 D C 1.737 177.989 176.300 -0.081 0.000 1.093 253 D CA 0.335 54.333 54.000 -0.004 0.000 0.837 253 D CB -0.511 40.334 40.800 0.076 0.000 0.948 253 D HN 1.486 nan 8.370 nan 0.000 0.507 254 G N 0.950 109.716 108.800 -0.057 0.000 2.166 254 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.260 254 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.260 254 G C 0.168 174.978 174.900 -0.151 0.000 0.986 254 G CA 0.327 45.352 45.100 -0.125 0.000 0.683 254 G HN 0.609 nan 8.290 nan 0.000 0.527 255 N N -0.372 118.320 118.700 -0.014 0.000 2.725 255 N HA 0.366 5.106 4.740 -0.000 0.000 0.248 255 N C 0.915 176.482 175.510 0.095 0.000 1.402 255 N CA -0.438 52.645 53.050 0.056 0.000 0.766 255 N CB -0.087 38.448 38.487 0.079 0.000 1.223 255 N HN 0.343 nan 8.380 nan 0.000 0.515 256 Y N -0.522 119.810 120.300 0.053 0.000 2.403 256 Y HA 0.064 4.614 4.550 -0.000 0.000 0.291 256 Y C 1.044 176.855 175.900 -0.147 0.000 1.143 256 Y CA 0.450 58.562 58.100 0.020 0.000 1.257 256 Y CB -0.647 37.715 38.460 -0.163 0.000 0.984 256 Y HN 0.308 nan 8.280 nan 0.000 0.550 257 W N 1.151 122.201 121.300 -0.418 0.000 2.421 257 W HA 0.015 4.675 4.660 0.000 0.000 0.270 257 W C 2.290 178.845 176.519 0.061 0.000 1.233 257 W CA 1.302 58.407 57.345 -0.400 0.000 1.226 257 W CB -0.295 28.933 29.460 -0.387 0.000 1.121 257 W HN 0.171 nan 8.180 nan 0.000 0.579 258 A N -0.679 122.235 122.820 0.157 0.000 2.259 258 A HA 0.027 4.347 4.320 -0.000 0.000 0.208 258 A C 0.143 177.514 177.584 -0.354 0.000 1.201 258 A CA 0.485 52.581 52.037 0.099 0.000 0.824 258 A CB -0.676 18.268 19.000 -0.094 0.000 0.838 258 A HN 0.305 nan 8.150 nan 0.000 0.485 259 H N 0.277 119.607 119.070 0.432 0.000 2.439 259 H HA 0.228 4.784 4.556 -0.000 0.000 0.228 259 H C -3.027 172.541 175.328 0.399 0.000 1.423 259 H CA -2.013 54.245 56.048 0.351 0.000 1.386 259 H CB 0.068 29.989 29.762 0.267 0.000 1.641 259 H HN 0.323 nan 8.280 nan 0.000 0.508 260 P HA 0.138 nan 4.420 nan 0.000 0.271 260 P C 0.328 177.679 177.300 0.085 0.000 1.216 260 P CA -0.173 63.056 63.100 0.215 0.000 0.776 260 P CB 1.685 33.537 31.700 0.254 0.000 0.881 261 I N 1.804 122.337 120.570 -0.061 0.000 2.395 261 I HA 0.194 4.364 4.170 -0.000 0.000 0.282 261 I C 0.909 177.003 176.117 -0.037 0.000 1.107 261 I CA -0.642 60.641 61.300 -0.028 0.000 1.210 261 I CB 0.247 38.217 38.000 -0.049 0.000 1.456 261 I HN 0.277 nan 8.210 nan 0.000 0.504 262 E N 5.189 125.405 120.200 0.027 0.000 2.415 262 E HA 0.041 4.391 4.350 -0.000 0.000 0.262 262 E C 0.483 177.117 176.600 0.057 0.000 1.038 262 E CA 0.600 57.042 56.400 0.070 0.000 0.921 262 E CB 0.329 30.105 29.700 0.126 0.000 0.950 262 E HN 0.432 nan 8.360 nan 0.000 0.438 263 N N 1.284 120.035 118.700 0.085 0.000 2.747 263 N HA -0.229 4.511 4.740 -0.000 0.000 0.249 263 N C -1.170 174.362 175.510 0.037 0.000 1.107 263 N CA 0.594 53.690 53.050 0.076 0.000 0.707 263 N CB -1.263 37.268 38.487 0.072 0.000 1.054 263 N HN 0.273 nan 8.380 nan 0.000 0.555 264 L N 0.146 121.378 121.223 0.015 0.000 2.372 264 L HA 0.580 4.920 4.340 -0.000 0.000 0.273 264 L C -1.032 175.856 176.870 0.030 0.000 0.989 264 L CA -0.763 54.083 54.840 0.011 0.000 0.841 264 L CB 2.006 44.052 42.059 -0.021 0.000 1.225 264 L HN -0.106 nan 8.230 nan 0.000 0.414 265 V N 4.509 124.443 119.914 0.035 0.000 2.525 265 V HA 0.879 4.999 4.120 -0.000 0.000 0.299 265 V C 0.066 176.159 176.094 -0.001 0.000 1.034 265 V CA -0.392 61.910 62.300 0.002 0.000 0.863 265 V CB 1.476 33.276 31.823 -0.039 0.000 0.999 265 V HN 0.918 nan 8.190 nan 0.000 0.423 266 A N 4.362 127.173 122.820 -0.014 0.000 2.324 266 A HA 0.887 5.207 4.320 -0.000 0.000 0.330 266 A C -0.715 176.791 177.584 -0.131 0.000 1.165 266 A CA -0.586 51.426 52.037 -0.041 0.000 0.813 266 A CB 1.591 20.546 19.000 -0.074 0.000 1.197 266 A HN 0.699 nan 8.150 nan 0.000 0.484 267 V N 2.952 122.792 119.914 -0.124 0.000 2.357 267 V HA 0.386 4.506 4.120 -0.000 0.000 0.284 267 V C -0.347 175.670 176.094 -0.129 0.000 1.018 267 V CA -0.428 61.781 62.300 -0.152 0.000 0.841 267 V CB 1.263 33.000 31.823 -0.144 0.000 0.991 267 V HN 0.632 nan 8.190 nan 0.000 0.437 268 V N 3.886 123.715 119.914 -0.141 0.000 2.435 268 V HA 0.393 4.513 4.120 -0.000 0.000 0.290 268 V C -0.128 175.901 176.094 -0.108 0.000 1.030 268 V CA -0.555 61.671 62.300 -0.123 0.000 0.881 268 V CB 1.967 33.707 31.823 -0.138 0.000 0.983 268 V HN 0.863 nan 8.190 nan 0.000 0.445 269 D N 4.149 124.498 120.400 -0.086 0.000 2.396 269 D HA 0.264 4.904 4.640 -0.000 0.000 0.225 269 D C 0.993 177.254 176.300 -0.066 0.000 1.121 269 D CA -0.214 53.742 54.000 -0.073 0.000 0.853 269 D CB 1.518 42.285 40.800 -0.056 0.000 1.043 269 D HN 0.440 nan 8.370 nan 0.000 0.500 270 L N 2.910 124.091 121.223 -0.070 0.000 2.127 270 L HA -0.140 4.200 4.340 -0.000 0.000 0.211 270 L C 2.154 179.001 176.870 -0.038 0.000 1.089 270 L CA 0.978 55.783 54.840 -0.058 0.000 0.757 270 L CB -0.076 41.945 42.059 -0.064 0.000 0.899 270 L HN 0.455 nan 8.230 nan 0.000 0.434 271 E N -0.328 119.853 120.200 -0.032 0.000 2.112 271 E HA -0.169 4.181 4.350 -0.000 0.000 0.190 271 E C 2.094 178.685 176.600 -0.014 0.000 0.979 271 E CA 0.705 57.096 56.400 -0.016 0.000 0.814 271 E CB 0.039 29.735 29.700 -0.006 0.000 0.762 271 E HN 0.589 nan 8.360 nan 0.000 0.460 272 Q N 0.508 120.296 119.800 -0.021 0.000 2.378 272 Q HA 0.002 4.342 4.340 -0.000 0.000 0.205 272 Q C -0.176 175.811 176.000 -0.023 0.000 0.954 272 Q CA 0.213 56.005 55.803 -0.019 0.000 0.901 272 Q CB 0.107 28.832 28.738 -0.022 0.000 0.981 272 Q HN 0.063 nan 8.270 nan 0.000 0.483 273 K N 1.344 121.726 120.400 -0.030 0.000 3.244 273 K HA -0.216 4.104 4.320 -0.000 0.000 0.270 273 K C -0.929 175.647 176.600 -0.040 0.000 1.016 273 K CA 0.861 57.127 56.287 -0.034 0.000 0.754 273 K CB -1.524 30.963 32.500 -0.023 0.000 1.326 273 K HN 0.349 nan 8.250 nan 0.000 0.465 274 K N -1.269 119.102 120.400 -0.049 0.000 2.625 274 K HA 0.403 4.723 4.320 -0.000 0.000 0.284 274 K C -0.721 175.843 176.600 -0.061 0.000 0.984 274 K CA -1.132 55.125 56.287 -0.050 0.000 0.865 274 K CB 1.025 33.505 32.500 -0.033 0.000 1.468 274 K HN 0.016 nan 8.250 nan 0.000 0.407 275 I N 2.666 123.199 120.570 -0.062 0.000 2.598 275 I HA -0.010 4.160 4.170 -0.000 0.000 0.284 275 I C 1.043 177.134 176.117 -0.045 0.000 1.140 275 I CA -0.421 60.840 61.300 -0.065 0.000 1.420 275 I CB 1.190 39.162 38.000 -0.048 0.000 1.387 275 I HN 0.595 nan 8.210 nan 0.000 0.553 276 V N 2.664 122.546 119.914 -0.053 0.000 3.319 276 V HA 0.403 4.523 4.120 -0.000 0.000 0.317 276 V C 0.155 176.225 176.094 -0.041 0.000 1.411 276 V CA -0.058 62.217 62.300 -0.043 0.000 1.112 276 V CB -0.464 31.330 31.823 -0.047 0.000 1.031 276 V HN 0.871 nan 8.190 nan 0.000 0.448 277 K N 0.625 121.001 120.400 -0.040 0.000 2.663 277 K HA 0.480 4.800 4.320 -0.000 0.000 0.267 277 K C -2.159 174.426 176.600 -0.025 0.000 1.004 277 K CA -0.557 55.709 56.287 -0.035 0.000 0.947 277 K CB 1.853 34.322 32.500 -0.052 0.000 1.372 277 K HN 0.266 nan 8.250 nan 0.000 0.411 278 I N 3.758 124.326 120.570 -0.004 0.000 2.410 278 I HA 0.265 4.435 4.170 -0.000 0.000 0.286 278 I C -0.572 175.548 176.117 0.006 0.000 1.009 278 I CA -0.684 60.628 61.300 0.020 0.000 1.111 278 I CB 1.950 39.982 38.000 0.052 0.000 1.262 278 I HN 0.506 nan 8.210 nan 0.000 0.443 279 E N 6.485 126.687 120.200 0.003 0.000 2.134 279 E HA 0.387 4.737 4.350 -0.000 0.000 0.278 279 E C -1.005 175.605 176.600 0.015 0.000 0.959 279 E CA -0.562 55.841 56.400 0.006 0.000 0.783 279 E CB 1.703 31.407 29.700 0.007 0.000 1.095 279 E HN 0.493 nan 8.360 nan 0.000 0.399 280 E N 1.644 121.850 120.200 0.010 0.000 2.187 280 E HA 0.474 4.824 4.350 -0.000 0.000 0.268 280 E C -0.300 176.310 176.600 0.017 0.000 0.896 280 E CA -0.677 55.727 56.400 0.006 0.000 0.766 280 E CB 2.071 31.764 29.700 -0.011 0.000 1.142 280 E HN 0.557 nan 8.360 nan 0.000 0.408 281 G N 2.604 111.419 108.800 0.026 0.000 3.075 281 G HA2 0.506 4.466 3.960 -0.000 0.000 0.253 281 G HA3 0.506 4.466 3.960 -0.000 0.000 0.253 281 G C -2.581 172.335 174.900 0.027 0.000 1.353 281 G CA -1.515 43.607 45.100 0.036 0.000 1.051 281 G HN 0.255 nan 8.290 nan 0.000 0.553 282 P HA 0.173 nan 4.420 nan 0.000 0.265 282 P C -0.203 177.111 177.300 0.023 0.000 1.187 282 P CA -0.253 62.862 63.100 0.024 0.000 0.766 282 P CB 0.778 32.496 31.700 0.030 0.000 0.820 283 V N 4.492 124.413 119.914 0.013 0.000 2.508 283 V HA 0.117 4.237 4.120 -0.000 0.000 0.281 283 V C 0.381 176.486 176.094 0.018 0.000 1.041 283 V CA 0.168 62.473 62.300 0.009 0.000 1.016 283 V CB 0.981 32.803 31.823 -0.002 0.000 0.984 283 V HN 0.222 nan 8.190 nan 0.000 0.478 284 V N 7.087 127.017 119.914 0.025 0.000 2.483 284 V HA 0.367 4.487 4.120 -0.000 0.000 0.297 284 V C -2.320 173.797 176.094 0.038 0.000 1.027 284 V CA -1.929 60.393 62.300 0.035 0.000 0.855 284 V CB 1.903 33.756 31.823 0.050 0.000 0.995 284 V HN 0.757 nan 8.190 nan 0.000 0.424 285 P HA 0.063 nan 4.420 nan 0.000 0.262 285 P C -0.344 176.997 177.300 0.068 0.000 1.182 285 P CA 0.043 63.169 63.100 0.044 0.000 0.761 285 P CB 0.379 32.103 31.700 0.040 0.000 0.795 286 V N 6.990 126.950 119.914 0.076 0.000 2.529 286 V HA 0.066 4.186 4.120 -0.000 0.000 0.292 286 V C -1.820 174.370 176.094 0.160 0.000 1.028 286 V CA -1.130 61.242 62.300 0.120 0.000 1.074 286 V CB 0.101 31.993 31.823 0.116 0.000 0.958 286 V HN 0.573 nan 8.190 nan 0.000 0.481 287 P HA 0.133 nan 4.420 nan 0.000 0.263 287 P C 0.510 178.033 177.300 0.372 0.000 1.195 287 P CA 0.214 63.460 63.100 0.243 0.000 0.762 287 P CB 0.426 32.261 31.700 0.225 0.000 0.799 288 M N 0.180 119.942 119.600 0.269 0.000 2.567 288 M HA 0.051 4.531 4.480 -0.000 0.000 0.261 288 M C 0.442 176.875 176.300 0.221 0.000 1.180 288 M CA 0.666 56.082 55.300 0.194 0.000 1.143 288 M CB -0.804 31.848 32.600 0.087 0.000 1.319 288 M HN 0.169 nan 8.290 nan 0.000 0.490 289 T N 2.904 117.614 114.554 0.260 0.000 2.849 289 T HA 0.178 4.528 4.350 -0.000 0.000 0.289 289 T C 0.446 175.340 174.700 0.324 0.000 1.010 289 T CA -0.093 62.150 62.100 0.239 0.000 1.161 289 T CB 0.220 69.224 68.868 0.227 0.000 0.989 289 T HN 0.355 nan 8.240 nan 0.000 0.523 290 A N 4.760 127.708 122.820 0.212 0.000 2.524 290 A HA 0.295 4.615 4.320 -0.000 0.000 0.250 290 A C 0.789 178.476 177.584 0.172 0.000 1.078 290 A CA -0.138 52.019 52.037 0.201 0.000 0.761 290 A CB 0.163 19.220 19.000 0.095 0.000 1.012 290 A HN 0.654 nan 8.150 nan 0.000 0.500 291 R N 3.082 123.682 120.500 0.167 0.000 2.738 291 R HA 0.266 4.606 4.340 -0.000 0.000 0.280 291 R C -2.948 173.328 176.300 -0.040 0.000 1.456 291 R CA -1.918 54.212 56.100 0.050 0.000 1.612 291 R CB 0.437 30.764 30.300 0.044 0.000 1.286 291 R HN 0.590 nan 8.270 nan 0.000 0.660 292 P HA 0.027 nan 4.420 nan 0.000 0.269 292 P C 0.119 177.317 177.300 -0.170 0.000 1.215 292 P CA -0.014 62.968 63.100 -0.196 0.000 0.780 292 P CB 0.433 32.032 31.700 -0.168 0.000 0.898 293 F N -0.274 119.602 119.950 -0.123 0.000 2.767 293 F HA 0.240 4.767 4.527 -0.000 0.000 0.323 293 F C 0.945 176.684 175.800 -0.102 0.000 1.091 293 F CA -0.375 57.536 58.000 -0.148 0.000 1.192 293 F CB -0.948 37.926 39.000 -0.209 0.000 1.056 293 F HN 0.098 nan 8.300 nan 0.000 0.571 294 D N 0.134 120.364 120.400 -0.284 0.000 2.328 294 D HA 0.208 4.848 4.640 -0.000 0.000 0.226 294 D C 1.895 178.159 176.300 -0.061 0.000 1.066 294 D CA 0.526 54.456 54.000 -0.117 0.000 0.861 294 D CB -0.201 40.454 40.800 -0.242 0.000 0.912 294 D HN 0.501 nan 8.370 nan 0.000 0.521 295 G N 1.735 110.503 108.800 -0.053 0.000 2.184 295 G HA2 -0.457 3.503 3.960 -0.000 0.000 0.264 295 G HA3 -0.457 3.503 3.960 -0.000 0.000 0.264 295 G C 1.229 176.105 174.900 -0.041 0.000 0.975 295 G CA 0.520 45.600 45.100 -0.033 0.000 0.642 295 G HN 0.599 nan 8.290 nan 0.000 0.536 296 R N 0.514 120.975 120.500 -0.064 0.000 2.170 296 R HA -0.082 4.258 4.340 -0.000 0.000 0.242 296 R C 1.401 177.680 176.300 -0.035 0.000 1.145 296 R CA 1.989 58.057 56.100 -0.053 0.000 0.984 296 R CB -0.434 29.824 30.300 -0.070 0.000 0.869 296 R HN 0.461 nan 8.270 nan 0.000 0.455 297 D N -0.196 120.184 120.400 -0.033 0.000 2.424 297 D HA 0.116 4.756 4.640 -0.000 0.000 0.220 297 D C -0.157 176.137 176.300 -0.010 0.000 1.150 297 D CA -0.323 53.667 54.000 -0.018 0.000 0.831 297 D CB 0.282 41.073 40.800 -0.015 0.000 0.981 297 D HN 0.052 nan 8.370 nan 0.000 0.500 298 R N -0.386 120.107 120.500 -0.012 0.000 2.888 298 R HA 0.690 5.030 4.340 -0.000 0.000 0.264 298 R C -1.049 175.249 176.300 -0.004 0.000 1.045 298 R CA -1.018 55.079 56.100 -0.006 0.000 0.962 298 R CB 2.327 32.624 30.300 -0.006 0.000 1.210 298 R HN -0.128 nan 8.270 nan 0.000 0.479 299 V N 0.938 120.852 119.914 -0.000 0.000 2.524 299 V HA 0.438 4.558 4.120 -0.000 0.000 0.297 299 V C -0.071 176.024 176.094 0.003 0.000 1.035 299 V CA -1.095 61.206 62.300 0.001 0.000 0.867 299 V CB 1.602 33.426 31.823 0.003 0.000 1.004 299 V HN 0.926 nan 8.190 nan 0.000 0.426 300 A N 6.233 129.054 122.820 0.002 0.000 2.407 300 A HA 0.740 5.060 4.320 -0.000 0.000 0.248 300 A C -2.122 175.464 177.584 0.004 0.000 1.082 300 A CA -0.851 51.188 52.037 0.003 0.000 0.785 300 A CB -0.237 18.764 19.000 0.002 0.000 1.020 300 A HN 0.726 nan 8.150 nan 0.000 0.489 301 P HA 0.414 nan 4.420 nan 0.000 0.275 301 P C -0.246 177.057 177.300 0.005 0.000 1.227 301 P CA -0.044 63.059 63.100 0.005 0.000 0.781 301 P CB 0.902 32.606 31.700 0.006 0.000 0.906 302 A N 2.743 125.566 122.820 0.005 0.000 2.520 302 A HA 0.368 4.688 4.320 -0.000 0.000 0.245 302 A C -0.064 177.523 177.584 0.005 0.000 1.072 302 A CA 0.116 52.156 52.037 0.006 0.000 0.761 302 A CB -0.141 18.863 19.000 0.006 0.000 1.004 302 A HN 0.400 nan 8.150 nan 0.000 0.499 303 V N 4.012 123.929 119.914 0.005 0.000 2.735 303 V HA 0.303 4.423 4.120 -0.000 0.000 0.310 303 V C -0.165 175.932 176.094 0.005 0.000 1.061 303 V CA -1.205 61.098 62.300 0.004 0.000 0.913 303 V CB 2.015 33.840 31.823 0.004 0.000 1.005 303 V HN 0.903 nan 8.190 nan 0.000 0.428 304 K N 4.353 124.755 120.400 0.003 0.000 2.382 304 K HA 0.301 4.621 4.320 -0.000 0.000 0.275 304 K C -2.082 174.521 176.600 0.004 0.000 1.009 304 K CA -1.212 55.077 56.287 0.003 0.000 0.970 304 K CB 0.389 32.888 32.500 -0.000 0.000 0.934 304 K HN 0.523 nan 8.250 nan 0.000 0.479 305 P HA 0.127 nan 4.420 nan 0.000 0.271 305 P C -0.644 176.661 177.300 0.009 0.000 1.218 305 P CA -0.191 62.915 63.100 0.010 0.000 0.780 305 P CB 0.782 32.491 31.700 0.015 0.000 0.901 306 M N 1.989 121.595 119.600 0.010 0.000 2.327 306 M HA 0.287 4.767 4.480 -0.000 0.000 0.298 306 M C -1.444 174.866 176.300 0.016 0.000 1.065 306 M CA -0.385 54.920 55.300 0.009 0.000 0.916 306 M CB 2.298 34.900 32.600 0.003 0.000 1.630 306 M HN 0.339 nan 8.290 nan 0.000 0.442 307 Q N 4.443 124.257 119.800 0.024 0.000 2.375 307 Q HA 0.621 4.961 4.340 -0.000 0.000 0.271 307 Q C -1.447 174.578 176.000 0.041 0.000 1.074 307 Q CA -0.686 55.141 55.803 0.041 0.000 0.808 307 Q CB 3.343 32.120 28.738 0.065 0.000 1.327 307 Q HN 0.739 nan 8.270 nan 0.000 0.441 308 I N 4.631 125.231 120.570 0.049 0.000 2.382 308 I HA 0.414 4.584 4.170 -0.000 0.000 0.285 308 I C -0.305 175.860 176.117 0.080 0.000 1.007 308 I CA -0.596 60.734 61.300 0.051 0.000 1.142 308 I CB 0.785 38.812 38.000 0.044 0.000 1.289 308 I HN 0.493 nan 8.210 nan 0.000 0.453 309 I N 2.560 123.171 120.570 0.068 0.000 2.740 309 I HA 0.616 4.786 4.170 -0.000 0.000 0.303 309 I C -0.774 175.329 176.117 -0.024 0.000 1.044 309 I CA -0.568 60.776 61.300 0.073 0.000 1.064 309 I CB 2.270 40.330 38.000 0.100 0.000 1.249 309 I HN 0.485 nan 8.210 nan 0.000 0.433 310 E N 5.294 125.459 120.200 -0.059 0.000 2.873 310 E HA 0.245 4.595 4.350 -0.000 0.000 0.232 310 E C -2.133 174.315 176.600 -0.255 0.000 1.123 310 E CA -1.522 54.818 56.400 -0.100 0.000 0.809 310 E CB 1.315 31.012 29.700 -0.005 0.000 1.366 310 E HN 0.554 nan 8.360 nan 0.000 0.400 311 P HA -0.165 nan 4.420 nan 0.000 0.226 311 P C 0.322 177.446 177.300 -0.293 0.000 1.146 311 P CA 1.088 63.667 63.100 -0.868 0.000 0.773 311 P CB 0.420 31.640 31.700 -0.799 0.000 0.772 312 E N -0.566 119.536 120.200 -0.163 0.000 2.548 312 E HA 0.356 4.706 4.350 -0.000 0.000 0.206 312 E C 0.819 177.395 176.600 -0.040 0.000 1.005 312 E CA -0.071 56.287 56.400 -0.070 0.000 0.951 312 E CB 0.448 30.112 29.700 -0.060 0.000 1.035 312 E HN 0.203 nan 8.360 nan 0.000 0.470 313 G N 1.360 110.139 108.800 -0.035 0.000 2.610 313 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.304 313 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.304 313 G C -0.900 173.945 174.900 -0.091 0.000 1.309 313 G CA -0.966 44.112 45.100 -0.037 0.000 0.906 313 G HN -0.055 nan 8.290 nan 0.000 0.521 314 K N -0.018 120.263 120.400 -0.198 0.000 2.106 314 K HA 0.419 4.739 4.320 -0.000 0.000 0.246 314 K C 1.148 177.600 176.600 -0.246 0.000 0.987 314 K CA -0.654 55.412 56.287 -0.369 0.000 0.904 314 K CB 0.819 32.709 32.500 -1.017 0.000 1.071 314 K HN 0.561 nan 8.250 nan 0.000 0.453 315 N N -0.222 118.421 118.700 -0.094 0.000 2.412 315 N HA -0.025 4.715 4.740 -0.000 0.000 0.184 315 N C -0.484 175.183 175.510 0.263 0.000 1.101 315 N CA 0.216 53.343 53.050 0.129 0.000 0.881 315 N CB 0.020 38.682 38.487 0.291 0.000 0.969 315 N HN 0.462 nan 8.380 nan 0.000 0.459 316 Y N -1.452 119.012 120.300 0.274 0.000 2.457 316 Y HA 0.693 5.243 4.550 -0.000 0.000 0.333 316 Y C -0.172 175.759 175.900 0.051 0.000 1.119 316 Y CA -1.141 57.084 58.100 0.208 0.000 1.143 316 Y CB 0.772 39.293 38.460 0.102 0.000 1.230 316 Y HN -0.343 nan 8.280 nan 0.000 0.469 317 T N 3.693 118.371 114.554 0.206 0.000 2.841 317 T HA 0.577 4.927 4.350 -0.000 0.000 0.283 317 T C -0.745 173.960 174.700 0.008 0.000 1.000 317 T CA -0.599 61.531 62.100 0.051 0.000 0.977 317 T CB 0.892 69.802 68.868 0.069 0.000 0.979 317 T HN 0.596 nan 8.240 nan 0.000 0.446 318 I N 2.896 123.397 120.570 -0.115 0.000 2.390 318 I HA 0.282 4.452 4.170 -0.000 0.000 0.283 318 I C -0.066 176.069 176.117 0.030 0.000 1.016 318 I CA -0.566 60.668 61.300 -0.110 0.000 1.151 318 I CB 1.497 39.341 38.000 -0.261 0.000 1.293 318 I HN 0.515 nan 8.210 nan 0.000 0.458 319 T N 5.296 119.870 114.554 0.034 0.000 2.853 319 T HA 0.515 4.865 4.350 -0.000 0.000 0.317 319 T C 0.806 175.550 174.700 0.073 0.000 1.059 319 T CA 0.220 62.367 62.100 0.077 0.000 0.954 319 T CB 1.214 70.123 68.868 0.067 0.000 0.994 319 T HN 1.034 nan 8.240 nan 0.000 0.479 320 G N 4.068 112.927 108.800 0.098 0.000 2.574 320 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.301 320 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.301 320 G C 0.304 175.205 174.900 0.002 0.000 1.166 320 G CA 0.396 45.533 45.100 0.060 0.000 0.971 320 G HN 0.626 nan 8.290 nan 0.000 0.542 321 D N 1.190 121.531 120.400 -0.099 0.000 2.433 321 D HA 0.232 4.872 4.640 -0.000 0.000 0.211 321 D C 0.989 177.038 176.300 -0.418 0.000 1.114 321 D CA 0.074 53.889 54.000 -0.307 0.000 0.837 321 D CB 0.257 40.730 40.800 -0.544 0.000 0.984 321 D HN 0.381 nan 8.370 nan 0.000 0.505 322 M N 1.249 120.727 119.600 -0.204 0.000 2.180 322 M HA 0.325 4.805 4.480 -0.000 0.000 0.358 322 M C -0.031 176.115 176.300 -0.257 0.000 1.233 322 M CA 0.134 55.326 55.300 -0.179 0.000 1.114 322 M CB 1.793 34.421 32.600 0.047 0.000 1.594 322 M HN -0.287 nan 8.290 nan 0.000 0.467 323 I N 2.818 123.080 120.570 -0.514 0.000 2.378 323 I HA 0.314 4.484 4.170 -0.000 0.000 0.291 323 I C -0.316 175.586 176.117 -0.358 0.000 0.992 323 I CA -0.661 60.299 61.300 -0.568 0.000 1.154 323 I CB 1.298 38.639 38.000 -1.098 0.000 1.315 323 I HN 0.632 nan 8.210 nan 0.000 0.448 324 H N 6.313 125.309 119.070 -0.124 0.000 2.489 324 H HA 0.316 4.872 4.556 -0.000 0.000 0.343 324 H C -2.174 173.292 175.328 0.232 0.000 1.086 324 H CA -0.565 55.509 56.048 0.044 0.000 1.198 324 H CB 1.894 31.679 29.762 0.037 0.000 1.490 324 H HN 0.738 nan 8.280 nan 0.000 0.504 325 W N 8.756 129.696 121.300 -0.600 0.000 3.423 325 W HA 0.310 4.970 4.660 -0.000 0.000 0.330 325 W C -0.594 175.779 176.519 -0.243 0.000 1.102 325 W CA -0.461 56.725 57.345 -0.264 0.000 1.261 325 W CB 0.513 29.977 29.460 0.007 0.000 1.283 325 W HN 0.886 nan 8.180 nan 0.000 0.447 326 R N 2.514 122.560 120.500 -0.756 0.000 3.923 326 R HA -0.370 3.970 4.340 -0.000 0.000 0.400 326 R C 0.681 176.684 176.300 -0.495 0.000 0.241 326 R CA 1.956 57.644 56.100 -0.685 0.000 1.284 326 R CB -1.320 28.358 30.300 -1.037 0.000 1.006 326 R HN 0.810 nan 8.270 nan 0.000 0.559 327 N N -0.166 118.185 118.700 -0.581 0.000 2.398 327 N HA 0.034 4.774 4.740 -0.000 0.000 0.188 327 N C -0.114 174.977 175.510 -0.698 0.000 1.122 327 N CA 0.016 52.623 53.050 -0.740 0.000 0.866 327 N CB 0.087 37.769 38.487 -1.342 0.000 0.970 327 N HN 0.207 nan 8.380 nan 0.000 0.462 328 W N 1.348 122.486 121.300 -0.270 0.000 2.381 328 W HA 0.351 5.011 4.660 -0.000 0.000 0.329 328 W C -0.176 176.365 176.519 0.037 0.000 1.157 328 W CA -0.541 56.809 57.345 0.008 0.000 1.240 328 W CB 0.919 30.521 29.460 0.238 0.000 1.199 328 W HN -0.182 nan 8.180 nan 0.000 0.579 329 D N 2.696 123.390 120.400 0.490 0.000 2.855 329 D HA 0.354 4.994 4.640 -0.000 0.000 0.241 329 D C -1.078 175.493 176.300 0.451 0.000 1.277 329 D CA -0.292 53.915 54.000 0.346 0.000 0.918 329 D CB 1.927 42.913 40.800 0.310 0.000 1.462 329 D HN 0.225 nan 8.370 nan 0.000 0.559 330 F N -0.857 119.140 119.950 0.078 0.000 2.711 330 F HA 0.463 4.990 4.527 -0.000 0.000 0.313 330 F C -1.356 174.429 175.800 -0.027 0.000 1.141 330 F CA -1.001 57.016 58.000 0.028 0.000 0.941 330 F CB 1.694 40.650 39.000 -0.075 0.000 1.349 330 F HN 0.156 nan 8.300 nan 0.000 0.464 331 H N 1.983 121.033 119.070 -0.033 0.000 2.505 331 H HA 0.639 5.195 4.556 -0.000 0.000 0.338 331 H C -2.037 173.183 175.328 -0.179 0.000 1.057 331 H CA -0.738 55.146 56.048 -0.273 0.000 1.202 331 H CB 2.096 31.519 29.762 -0.565 0.000 1.466 331 H HN 0.808 nan 8.280 nan 0.000 0.499 332 L N 5.226 126.090 121.223 -0.599 0.000 2.298 332 L HA 0.350 4.690 4.340 -0.000 0.000 0.284 332 L C -0.745 175.841 176.870 -0.474 0.000 1.013 332 L CA -0.169 54.445 54.840 -0.376 0.000 0.824 332 L CB 1.138 43.058 42.059 -0.233 0.000 1.221 332 L HN 0.686 nan 8.230 nan 0.000 0.418 333 S N 4.160 119.678 115.700 -0.303 0.000 2.667 333 S HA 0.855 5.325 4.470 -0.000 0.000 0.292 333 S C -0.677 173.794 174.600 -0.215 0.000 1.126 333 S CA -0.917 57.155 58.200 -0.213 0.000 0.881 333 S CB 1.771 64.936 63.200 -0.057 0.000 1.132 333 S HN 0.611 nan 8.310 nan 0.000 0.492 334 M N 2.550 122.046 119.600 -0.173 0.000 2.456 334 M HA 0.521 5.001 4.480 -0.000 0.000 0.324 334 M C -1.127 175.084 176.300 -0.149 0.000 1.124 334 M CA -0.487 54.696 55.300 -0.195 0.000 0.959 334 M CB 1.673 34.185 32.600 -0.147 0.000 1.692 334 M HN 0.882 nan 8.290 nan 0.000 0.444 335 N N 1.258 119.853 118.700 -0.175 0.000 2.258 335 N HA 0.276 5.016 4.740 -0.000 0.000 0.299 335 N C 0.046 175.514 175.510 -0.070 0.000 1.047 335 N CA 0.126 53.115 53.050 -0.101 0.000 0.814 335 N CB 1.774 40.206 38.487 -0.092 0.000 1.413 335 N HN 0.858 nan 8.380 nan 0.000 0.478 336 S N 3.207 118.900 115.700 -0.011 0.000 2.419 336 S HA -0.135 4.335 4.470 -0.000 0.000 0.233 336 S C 1.722 176.353 174.600 0.053 0.000 1.016 336 S CA 0.719 58.940 58.200 0.035 0.000 0.974 336 S CB 0.025 63.257 63.200 0.053 0.000 0.786 336 S HN 0.730 nan 8.310 nan 0.000 0.492 337 R N 1.018 121.531 120.500 0.021 0.000 2.052 337 R HA 0.073 4.413 4.340 -0.000 0.000 0.224 337 R C 2.075 178.398 176.300 0.038 0.000 1.149 337 R CA 1.559 57.666 56.100 0.012 0.000 0.962 337 R CB -0.209 30.046 30.300 -0.075 0.000 0.856 337 R HN 0.455 nan 8.270 nan 0.000 0.433 338 V N -1.686 118.229 119.914 0.002 0.000 3.621 338 V HA 0.451 4.571 4.120 -0.000 0.000 0.285 338 V C 0.812 176.722 176.094 -0.306 0.000 1.346 338 V CA 0.320 62.598 62.300 -0.036 0.000 1.104 338 V CB -0.224 31.611 31.823 0.020 0.000 0.913 338 V HN 0.681 nan 8.190 nan 0.000 0.432 339 G N 1.452 110.003 108.800 -0.414 0.000 2.498 339 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.251 339 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.251 339 G C -2.449 171.976 174.900 -0.792 0.000 1.170 339 G CA -0.120 44.385 45.100 -0.992 0.000 0.944 339 G HN 0.641 nan 8.290 nan 0.000 0.567 340 P HA 0.372 nan 4.420 nan 0.000 0.271 340 P C -0.502 176.480 177.300 -0.531 0.000 1.216 340 P CA 0.484 63.217 63.100 -0.613 0.000 0.776 340 P CB 0.587 31.957 31.700 -0.550 0.000 0.881 341 M N 3.524 122.858 119.600 -0.443 0.000 2.259 341 M HA 0.381 4.861 4.480 -0.000 0.000 0.304 341 M C -0.364 175.692 176.300 -0.407 0.000 1.019 341 M CA -0.898 54.149 55.300 -0.421 0.000 0.922 341 M CB 2.056 34.485 32.600 -0.284 0.000 1.600 341 M HN 0.124 nan 8.290 nan 0.000 0.433 342 I N 2.667 122.926 120.570 -0.520 0.000 2.297 342 I HA 0.403 4.573 4.170 -0.000 0.000 0.291 342 I C -0.040 175.932 176.117 -0.241 0.000 1.033 342 I CA -0.005 61.083 61.300 -0.353 0.000 1.253 342 I CB 0.607 38.293 38.000 -0.524 0.000 1.396 342 I HN 0.614 nan 8.210 nan 0.000 0.476 343 S N 3.118 118.739 115.700 -0.132 0.000 2.638 343 S HA 0.501 4.971 4.470 -0.000 0.000 0.302 343 S C 0.088 174.593 174.600 -0.159 0.000 1.096 343 S CA -0.622 57.420 58.200 -0.264 0.000 0.953 343 S CB 1.808 64.774 63.200 -0.390 0.000 1.107 343 S HN 0.807 nan 8.310 nan 0.000 0.503 344 T N -1.431 112.880 114.554 -0.404 0.000 3.361 344 T HA -0.154 4.196 4.350 -0.000 0.000 0.417 344 T C -0.137 174.698 174.700 0.226 0.000 0.769 344 T CA -0.008 61.898 62.100 -0.323 0.000 2.085 344 T CB -2.443 66.327 68.868 -0.163 0.000 1.689 344 T HN 0.442 nan 8.240 nan 0.000 0.639 345 V N 2.872 122.990 119.914 0.341 0.000 2.432 345 V HA 0.657 4.777 4.120 -0.000 0.000 0.271 345 V C 1.116 177.575 176.094 0.609 0.000 1.046 345 V CA 0.154 62.748 62.300 0.490 0.000 0.945 345 V CB 1.061 33.119 31.823 0.391 0.000 0.992 345 V HN 1.031 nan 8.190 nan 0.000 0.471 346 T N 2.068 116.976 114.554 0.590 0.000 2.907 346 T HA 0.635 4.985 4.350 -0.000 0.000 0.292 346 T C -1.166 173.778 174.700 0.408 0.000 1.043 346 T CA -0.746 61.638 62.100 0.473 0.000 1.003 346 T CB 1.849 70.944 68.868 0.378 0.000 1.084 346 T HN 0.401 nan 8.240 nan 0.000 0.483 347 Y N 1.839 122.234 120.300 0.159 0.000 2.328 347 Y HA 0.455 5.005 4.550 -0.000 0.000 0.337 347 Y C 0.160 176.097 175.900 0.061 0.000 0.966 347 Y CA -1.129 56.929 58.100 -0.069 0.000 1.136 347 Y CB 1.362 39.722 38.460 -0.166 0.000 1.170 347 Y HN 0.919 nan 8.280 nan 0.000 0.470 348 N N 4.798 123.369 118.700 -0.216 0.000 2.448 348 N HA -0.016 4.724 4.740 -0.000 0.000 0.250 348 N C -1.172 174.399 175.510 0.101 0.000 1.136 348 N CA -0.286 52.748 53.050 -0.026 0.000 0.953 348 N CB 0.127 38.566 38.487 -0.079 0.000 1.251 348 N HN 0.581 nan 8.380 nan 0.000 0.502 349 D N 3.359 123.945 120.400 0.310 0.000 2.453 349 D HA 0.030 4.669 4.640 -0.000 0.000 0.223 349 D C -0.037 176.368 176.300 0.175 0.000 1.183 349 D CA -0.064 54.159 54.000 0.372 0.000 0.933 349 D CB -0.399 40.631 40.800 0.383 0.000 1.038 349 D HN 0.662 nan 8.370 nan 0.000 0.513 350 N N 3.332 122.105 118.700 0.121 0.000 2.714 350 N HA -0.259 4.481 4.740 -0.000 0.000 0.252 350 N C 0.917 176.451 175.510 0.041 0.000 1.014 350 N CA 1.802 54.888 53.050 0.059 0.000 0.735 350 N CB -1.022 37.498 38.487 0.055 0.000 0.924 350 N HN 0.709 nan 8.380 nan 0.000 0.540 351 G N -2.676 106.145 108.800 0.036 0.000 2.254 351 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.225 351 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.225 351 G C 0.170 175.090 174.900 0.032 0.000 1.003 351 G CA 0.230 45.345 45.100 0.024 0.000 0.622 351 G HN 0.683 nan 8.290 nan 0.000 0.507 352 T N 2.350 116.934 114.554 0.049 0.000 2.770 352 T HA 0.523 4.873 4.350 -0.000 0.000 0.283 352 T C -0.021 174.727 174.700 0.079 0.000 0.988 352 T CA -0.445 61.683 62.100 0.048 0.000 0.957 352 T CB 1.550 70.436 68.868 0.030 0.000 0.930 352 T HN 0.294 nan 8.240 nan 0.000 0.443 353 K N 3.684 124.128 120.400 0.074 0.000 2.349 353 K HA 0.309 4.629 4.320 -0.000 0.000 0.288 353 K C 0.159 176.818 176.600 0.099 0.000 1.058 353 K CA -0.154 56.199 56.287 0.110 0.000 0.953 353 K CB 0.839 33.410 32.500 0.117 0.000 0.997 353 K HN 0.371 nan 8.250 nan 0.000 0.477 354 R N 2.767 123.366 120.500 0.165 0.000 2.445 354 R HA 0.217 4.557 4.340 -0.000 0.000 0.308 354 R C -0.427 175.987 176.300 0.189 0.000 0.961 354 R CA -0.876 55.311 56.100 0.145 0.000 0.862 354 R CB 1.642 32.056 30.300 0.190 0.000 1.144 354 R HN 0.375 nan 8.270 nan 0.000 0.447 355 K N 1.128 121.537 120.400 0.014 0.000 2.485 355 K HA 0.028 4.348 4.320 -0.000 0.000 0.277 355 K C 0.274 176.972 176.600 0.164 0.000 0.990 355 K CA -0.043 56.215 56.287 -0.048 0.000 0.994 355 K CB 0.820 33.063 32.500 -0.429 0.000 0.906 355 K HN 0.315 nan 8.250 nan 0.000 0.488 356 V N 1.590 121.637 119.914 0.222 0.000 3.177 356 V HA 0.145 4.265 4.120 -0.000 0.000 0.219 356 V C -0.159 175.977 176.094 0.070 0.000 1.344 356 V CA -0.010 62.316 62.300 0.042 0.000 1.324 356 V CB 0.466 32.336 31.823 0.079 0.000 1.165 356 V HN 0.769 nan 8.190 nan 0.000 0.510 357 M N -1.144 118.611 119.600 0.258 0.000 2.277 357 M HA 0.371 4.851 4.480 -0.000 0.000 0.282 357 M C -0.152 176.325 176.300 0.296 0.000 1.074 357 M CA -0.571 54.855 55.300 0.210 0.000 0.954 357 M CB 2.215 34.851 32.600 0.059 0.000 1.672 357 M HN 0.282 nan 8.290 nan 0.000 0.471 358 Y N 3.824 124.225 120.300 0.168 0.000 2.184 358 Y HA 0.192 4.742 4.550 -0.000 0.000 0.290 358 Y C -0.306 175.461 175.900 -0.221 0.000 1.129 358 Y CA 1.641 59.663 58.100 -0.131 0.000 1.144 358 Y CB 0.567 38.942 38.460 -0.142 0.000 0.995 358 Y HN 0.621 nan 8.280 nan 0.000 0.513 359 E N -1.144 118.898 120.200 -0.262 0.000 2.321 359 E HA 0.530 4.880 4.350 -0.000 0.000 0.278 359 E C -1.202 175.282 176.600 -0.192 0.000 0.902 359 E CA -0.404 55.798 56.400 -0.330 0.000 0.758 359 E CB 1.926 31.430 29.700 -0.328 0.000 1.213 359 E HN 0.259 nan 8.360 nan 0.000 0.426 360 G N 0.760 109.418 108.800 -0.236 0.000 2.682 360 G HA2 0.675 4.635 3.960 -0.000 0.000 0.300 360 G HA3 0.675 4.635 3.960 -0.000 0.000 0.300 360 G C -0.873 173.841 174.900 -0.309 0.000 1.391 360 G CA -0.365 44.639 45.100 -0.161 0.000 0.990 360 G HN 0.537 nan 8.290 nan 0.000 0.501 361 S N 0.408 116.116 115.700 0.014 0.000 2.656 361 S HA 0.562 5.032 4.470 -0.000 0.000 0.265 361 S C -1.321 173.531 174.600 0.420 0.000 1.132 361 S CA -0.824 57.404 58.200 0.046 0.000 0.819 361 S CB 0.931 64.043 63.200 -0.147 0.000 1.119 361 S HN 1.612 nan 8.310 nan 0.000 0.476 362 L N 1.971 123.394 121.223 0.333 0.000 2.453 362 L HA 0.652 4.992 4.340 -0.000 0.000 0.272 362 L C 1.208 178.124 176.870 0.076 0.000 1.182 362 L CA 1.339 56.281 54.840 0.169 0.000 0.858 362 L CB 0.410 42.435 42.059 -0.057 0.000 1.120 362 L HN 1.022 nan 8.230 nan 0.000 0.474 363 G N 2.781 111.599 108.800 0.030 0.000 2.524 363 G HA2 0.492 4.452 3.960 -0.000 0.000 0.210 363 G HA3 0.492 4.452 3.960 -0.000 0.000 0.210 363 G C 0.347 175.307 174.900 0.101 0.000 1.187 363 G CA 0.480 45.644 45.100 0.105 0.000 0.825 363 G HN 1.108 nan 8.290 nan 0.000 0.558 364 G N -1.043 107.729 108.800 -0.046 0.000 2.506 364 G HA2 0.574 4.534 3.960 -0.000 0.000 0.292 364 G HA3 0.574 4.534 3.960 -0.000 0.000 0.292 364 G C -1.106 173.766 174.900 -0.046 0.000 1.425 364 G CA -0.342 44.716 45.100 -0.070 0.000 0.788 364 G HN 0.809 nan 8.290 nan 0.000 0.490 365 M N -0.621 119.014 119.600 0.059 0.000 2.578 365 M HA 0.872 5.352 4.480 -0.000 0.000 0.276 365 M C -1.813 174.596 176.300 0.182 0.000 1.245 365 M CA -1.065 54.317 55.300 0.137 0.000 0.871 365 M CB 2.733 35.387 32.600 0.090 0.000 1.722 365 M HN 0.735 nan 8.290 nan 0.000 0.473 366 I N 1.624 122.280 120.570 0.143 0.000 2.752 366 I HA 0.646 4.816 4.170 -0.000 0.000 0.295 366 I C -1.811 174.335 176.117 0.047 0.000 1.219 366 I CA -0.952 60.427 61.300 0.133 0.000 1.030 366 I CB 2.533 40.616 38.000 0.138 0.000 1.259 366 I HN 0.671 nan 8.210 nan 0.000 0.423 367 V N 8.346 128.327 119.914 0.111 0.000 2.315 367 V HA 0.372 4.492 4.120 -0.000 0.000 0.265 367 V C -2.358 173.770 176.094 0.058 0.000 1.019 367 V CA -1.144 61.191 62.300 0.057 0.000 0.824 367 V CB 0.883 32.826 31.823 0.199 0.000 1.072 367 V HN 0.543 nan 8.190 nan 0.000 0.448 368 P HA 0.388 nan 4.420 nan 0.000 0.290 368 P C -1.277 176.120 177.300 0.161 0.000 1.276 368 P CA -0.330 62.872 63.100 0.170 0.000 0.808 368 P CB 1.478 33.343 31.700 0.276 0.000 0.966 369 Y N 0.621 121.015 120.300 0.156 0.000 2.432 369 Y HA 0.497 5.047 4.550 -0.000 0.000 0.322 369 Y C 1.873 177.863 175.900 0.150 0.000 1.246 369 Y CA 0.195 58.393 58.100 0.163 0.000 1.268 369 Y CB 0.940 39.505 38.460 0.174 0.000 1.276 369 Y HN 0.480 nan 8.280 nan 0.000 0.499 370 G N 0.057 108.944 108.800 0.145 0.000 3.690 370 G HA2 0.021 3.981 3.960 -0.000 0.000 0.283 370 G HA3 0.021 3.981 3.960 -0.000 0.000 0.283 370 G C -0.660 174.186 174.900 -0.090 0.000 1.057 370 G CA -0.113 44.988 45.100 0.001 0.000 0.821 370 G HN 0.503 nan 8.290 nan 0.000 0.526 371 D N 1.013 121.357 120.400 -0.093 0.000 2.233 371 D HA 0.239 4.879 4.640 -0.000 0.000 0.240 371 D C -1.441 174.719 176.300 -0.234 0.000 1.074 371 D CA -1.813 51.938 54.000 -0.416 0.000 0.838 371 D CB 3.037 43.595 40.800 -0.404 0.000 1.124 371 D HN 0.015 nan 8.370 nan 0.000 0.475 372 P HA 0.002 nan 4.420 nan 0.000 0.231 372 P C -0.094 177.225 177.300 0.032 0.000 1.168 372 P CA 0.016 63.036 63.100 -0.133 0.000 0.779 372 P CB 0.612 32.182 31.700 -0.216 0.000 0.844 373 D N 0.257 120.674 120.400 0.029 0.000 2.364 373 D HA -0.057 4.583 4.640 -0.000 0.000 0.236 373 D C 1.582 178.093 176.300 0.351 0.000 1.221 373 D CA -0.162 53.943 54.000 0.174 0.000 0.891 373 D CB 0.502 41.410 40.800 0.179 0.000 1.190 373 D HN -0.129 nan 8.370 nan 0.000 0.449 374 I N 1.144 121.898 120.570 0.307 0.000 2.181 374 I HA -0.206 3.964 4.170 -0.000 0.000 0.247 374 I C 1.958 178.276 176.117 0.335 0.000 1.081 374 I CA 1.951 63.464 61.300 0.354 0.000 1.340 374 I CB -0.380 37.742 38.000 0.203 0.000 1.036 374 I HN 0.499 nan 8.210 nan 0.000 0.417 375 G N -2.496 106.452 108.800 0.246 0.000 3.141 375 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.218 375 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.218 375 G C 0.614 175.203 174.900 -0.519 0.000 1.170 375 G CA 0.095 45.199 45.100 0.007 0.000 0.769 375 G HN 0.528 nan 8.290 nan 0.000 0.546 376 W N -1.465 119.688 121.300 -0.245 0.000 3.336 376 W HA 0.187 4.847 4.660 -0.000 0.000 0.221 376 W C 2.000 178.235 176.519 -0.473 0.000 1.086 376 W CA -0.296 56.776 57.345 -0.454 0.000 1.457 376 W CB -0.401 28.928 29.460 -0.217 0.000 0.756 376 W HN 0.206 nan 8.180 nan 0.000 0.783 377 Y N 1.031 121.326 120.300 -0.009 0.000 2.228 377 Y HA -0.295 4.255 4.550 -0.000 0.000 0.285 377 Y C 1.700 177.649 175.900 0.082 0.000 1.178 377 Y CA 1.573 59.691 58.100 0.029 0.000 1.202 377 Y CB -1.823 36.637 38.460 0.001 0.000 0.974 377 Y HN 0.069 nan 8.280 nan 0.000 0.527 378 F N 0.240 119.905 119.950 -0.475 0.000 2.754 378 F HA 0.353 4.880 4.527 -0.000 0.000 0.297 378 F C 0.966 176.734 175.800 -0.052 0.000 1.122 378 F CA -1.084 56.838 58.000 -0.130 0.000 1.400 378 F CB -0.586 38.171 39.000 -0.404 0.000 1.117 378 F HN -0.166 nan 8.300 nan 0.000 0.587 379 K N 2.281 122.175 120.400 -0.844 0.000 2.245 379 K HA 0.445 4.765 4.320 -0.000 0.000 0.281 379 K C -0.717 175.626 176.600 -0.428 0.000 1.079 379 K CA 0.245 56.060 56.287 -0.786 0.000 1.000 379 K CB -0.324 31.625 32.500 -0.919 0.000 1.038 379 K HN 0.366 nan 8.250 nan 0.000 0.430 380 A N 5.584 128.138 122.820 -0.443 0.000 2.768 380 A HA 0.264 4.584 4.320 -0.000 0.000 0.299 380 A C -1.695 175.825 177.584 -0.107 0.000 1.171 380 A CA -0.724 51.197 52.037 -0.193 0.000 0.759 380 A CB 0.274 19.237 19.000 -0.061 0.000 1.267 380 A HN 0.561 nan 8.150 nan 0.000 0.421 381 Y N 1.316 121.728 120.300 0.187 0.000 2.359 381 Y HA 0.445 4.995 4.550 -0.000 0.000 0.334 381 Y C 0.395 176.408 175.900 0.187 0.000 1.058 381 Y CA -0.849 57.371 58.100 0.200 0.000 1.244 381 Y CB 0.894 39.460 38.460 0.177 0.000 1.187 381 Y HN 0.491 nan 8.280 nan 0.000 0.510 382 L N 4.579 126.037 121.223 0.392 0.000 2.494 382 L HA 0.249 4.589 4.340 -0.000 0.000 0.251 382 L C 0.685 177.751 176.870 0.327 0.000 1.119 382 L CA -0.228 54.777 54.840 0.274 0.000 1.026 382 L CB 0.382 42.555 42.059 0.188 0.000 1.370 382 L HN 0.700 nan 8.230 nan 0.000 0.426 383 D N 0.398 120.984 120.400 0.309 0.000 2.116 383 D HA -0.199 4.441 4.640 -0.000 0.000 0.193 383 D C 2.023 178.503 176.300 0.301 0.000 0.998 383 D CA 2.062 56.253 54.000 0.317 0.000 0.836 383 D CB 0.263 41.209 40.800 0.244 0.000 0.951 383 D HN 0.588 nan 8.370 nan 0.000 0.449 384 S N 0.207 116.030 115.700 0.206 0.000 2.348 384 S HA -0.017 4.453 4.470 -0.000 0.000 0.219 384 S C 2.304 176.946 174.600 0.070 0.000 1.033 384 S CA 1.177 59.470 58.200 0.156 0.000 0.974 384 S CB -0.851 62.418 63.200 0.115 0.000 0.868 384 S HN 0.243 nan 8.310 nan 0.000 0.459 385 G N 1.778 110.590 108.800 0.020 0.000 2.421 385 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 385 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 385 G C 1.143 176.013 174.900 -0.051 0.000 1.171 385 G CA 1.167 46.215 45.100 -0.086 0.000 0.775 385 G HN 0.521 nan 8.290 nan 0.000 0.543 386 D N -1.211 119.208 120.400 0.032 0.000 2.305 386 D HA 0.085 4.725 4.640 -0.000 0.000 0.206 386 D C 1.328 177.440 176.300 -0.314 0.000 0.974 386 D CA 0.530 54.457 54.000 -0.121 0.000 0.871 386 D CB 0.194 40.918 40.800 -0.128 0.000 0.947 386 D HN 0.472 nan 8.370 nan 0.000 0.516 387 Y N -0.321 120.040 120.300 0.101 0.000 2.426 387 Y HA 0.341 4.891 4.550 -0.000 0.000 0.249 387 Y C 1.087 177.063 175.900 0.128 0.000 1.103 387 Y CA -0.038 58.149 58.100 0.145 0.000 1.256 387 Y CB 0.915 39.489 38.460 0.191 0.000 1.208 387 Y HN -0.123 nan 8.280 nan 0.000 0.519 388 G N 1.506 110.437 108.800 0.218 0.000 2.788 388 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.249 388 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.249 388 G C 0.469 175.508 174.900 0.231 0.000 1.008 388 G CA 0.227 45.429 45.100 0.170 0.000 1.220 388 G HN 0.287 nan 8.290 nan 0.000 0.506 389 M N 1.055 120.820 119.600 0.276 0.000 2.229 389 M HA 0.001 4.481 4.480 -0.000 0.000 0.264 389 M C 2.721 179.335 176.300 0.523 0.000 1.063 389 M CA 2.147 57.680 55.300 0.389 0.000 1.114 389 M CB -0.104 32.790 32.600 0.490 0.000 1.387 389 M HN 0.634 nan 8.290 nan 0.000 0.420 390 G N -0.334 108.699 108.800 0.387 0.000 2.408 390 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 390 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 390 G C 1.469 176.522 174.900 0.255 0.000 1.150 390 G CA 1.304 46.587 45.100 0.305 0.000 0.776 390 G HN 0.353 nan 8.290 nan 0.000 0.542 391 T N 1.177 115.847 114.554 0.193 0.000 2.788 391 T HA 0.016 4.366 4.350 -0.000 0.000 0.268 391 T C 1.847 176.637 174.700 0.150 0.000 1.044 391 T CA 0.544 62.735 62.100 0.151 0.000 1.139 391 T CB -0.120 68.829 68.868 0.134 0.000 0.867 391 T HN 0.123 nan 8.240 nan 0.000 0.454 392 L N 1.809 123.139 121.223 0.178 0.000 2.737 392 L HA 0.179 4.519 4.340 -0.000 0.000 0.236 392 L C 0.401 177.353 176.870 0.137 0.000 1.219 392 L CA -0.313 54.606 54.840 0.131 0.000 1.021 392 L CB -0.574 41.559 42.059 0.123 0.000 1.291 392 L HN 0.075 nan 8.230 nan 0.000 0.470 393 T N 0.059 114.742 114.554 0.216 0.000 2.934 393 T HA 0.023 4.373 4.350 -0.000 0.000 0.306 393 T C 0.648 175.405 174.700 0.095 0.000 1.042 393 T CA 0.317 62.556 62.100 0.232 0.000 1.145 393 T CB 0.695 69.817 68.868 0.424 0.000 0.982 393 T HN 0.140 nan 8.240 nan 0.000 0.544 394 S N 5.303 121.007 115.700 0.008 0.000 2.422 394 S HA 0.341 4.811 4.470 -0.000 0.000 0.308 394 S C -2.217 172.395 174.600 0.020 0.000 1.097 394 S CA -1.188 57.008 58.200 -0.006 0.000 1.099 394 S CB 0.892 64.054 63.200 -0.063 0.000 0.976 394 S HN 0.463 nan 8.310 nan 0.000 0.471 395 P HA 0.066 nan 4.420 nan 0.000 0.262 395 P C -0.348 176.970 177.300 0.031 0.000 1.182 395 P CA 0.059 63.187 63.100 0.046 0.000 0.761 395 P CB 0.242 31.962 31.700 0.033 0.000 0.795 396 I N 2.225 122.824 120.570 0.048 0.000 2.618 396 I HA 0.042 4.212 4.170 -0.000 0.000 0.284 396 I C 0.872 176.999 176.117 0.017 0.000 1.146 396 I CA 0.006 61.329 61.300 0.038 0.000 1.425 396 I CB 0.477 38.520 38.000 0.072 0.000 1.383 396 I HN 0.352 nan 8.210 nan 0.000 0.562 397 A N 7.955 130.776 122.820 0.002 0.000 2.376 397 A HA 0.213 4.533 4.320 -0.000 0.000 0.298 397 A C 0.555 178.132 177.584 -0.012 0.000 1.271 397 A CA -0.412 51.621 52.037 -0.007 0.000 0.926 397 A CB -0.046 18.947 19.000 -0.013 0.000 1.141 397 A HN 0.817 nan 8.150 nan 0.000 0.539 398 R N 2.129 122.622 120.500 -0.011 0.000 2.523 398 R HA 0.194 4.534 4.340 -0.000 0.000 0.281 398 R C 1.422 177.707 176.300 -0.025 0.000 0.969 398 R CA 1.674 57.765 56.100 -0.016 0.000 1.093 398 R CB -0.002 30.289 30.300 -0.015 0.000 0.917 398 R HN 1.586 nan 8.270 nan 0.000 0.408 399 G N 3.186 111.962 108.800 -0.041 0.000 2.245 399 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.264 399 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.264 399 G C 0.681 175.549 174.900 -0.052 0.000 0.985 399 G CA 0.823 45.895 45.100 -0.046 0.000 0.625 399 G HN 0.664 nan 8.290 nan 0.000 0.536 400 K N -0.924 119.449 120.400 -0.046 0.000 2.353 400 K HA 0.156 4.476 4.320 -0.000 0.000 0.206 400 K C 1.353 177.928 176.600 -0.041 0.000 1.191 400 K CA 0.348 56.612 56.287 -0.038 0.000 0.897 400 K CB 0.100 32.585 32.500 -0.025 0.000 1.283 400 K HN 0.082 nan 8.250 nan 0.000 0.477 401 D N 0.935 121.316 120.400 -0.033 0.000 2.312 401 D HA 0.033 4.673 4.640 -0.000 0.000 0.211 401 D C 0.102 176.386 176.300 -0.027 0.000 0.964 401 D CA 0.591 54.582 54.000 -0.015 0.000 0.877 401 D CB 0.467 41.265 40.800 -0.003 0.000 0.924 401 D HN 0.182 nan 8.370 nan 0.000 0.515 402 A N 0.559 123.317 122.820 -0.104 0.000 2.572 402 A HA 0.539 4.859 4.320 -0.000 0.000 0.295 402 A C -2.658 174.713 177.584 -0.354 0.000 1.072 402 A CA -1.318 50.542 52.037 -0.294 0.000 0.691 402 A CB 1.737 20.621 19.000 -0.193 0.000 1.291 402 A HN -0.229 nan 8.150 nan 0.000 0.404 403 P HA 0.020 nan 4.420 nan 0.000 0.269 403 P C 0.902 178.085 177.300 -0.195 0.000 1.217 403 P CA 0.546 63.434 63.100 -0.354 0.000 0.783 403 P CB 0.634 32.081 31.700 -0.420 0.000 0.898 404 S N 0.049 115.696 115.700 -0.087 0.000 2.500 404 S HA -0.141 4.329 4.470 -0.000 0.000 0.239 404 S C 1.172 175.790 174.600 0.031 0.000 0.989 404 S CA 0.778 58.968 58.200 -0.017 0.000 0.951 404 S CB -1.058 62.148 63.200 0.010 0.000 0.759 404 S HN 0.651 nan 8.310 nan 0.000 0.523 405 N N 1.596 120.316 118.700 0.033 0.000 2.251 405 N HA 0.316 5.056 4.740 -0.000 0.000 0.217 405 N C 0.124 175.731 175.510 0.162 0.000 1.124 405 N CA 0.133 53.249 53.050 0.110 0.000 0.843 405 N CB 0.047 38.610 38.487 0.125 0.000 1.024 405 N HN 0.443 nan 8.380 nan 0.000 0.501 406 A N 0.351 123.239 122.820 0.113 0.000 2.304 406 A HA 0.567 4.887 4.320 -0.000 0.000 0.271 406 A C -0.213 177.496 177.584 0.208 0.000 1.091 406 A CA -0.474 51.686 52.037 0.205 0.000 0.812 406 A CB 0.983 20.052 19.000 0.115 0.000 1.056 406 A HN 0.060 nan 8.150 nan 0.000 0.489 407 V N 1.993 122.060 119.914 0.256 0.000 2.417 407 V HA 0.335 4.455 4.120 -0.000 0.000 0.291 407 V C -0.335 175.883 176.094 0.207 0.000 1.024 407 V CA -0.239 62.208 62.300 0.244 0.000 0.861 407 V CB 1.169 33.172 31.823 0.300 0.000 0.985 407 V HN 0.673 nan 8.190 nan 0.000 0.436 408 L N 6.269 127.596 121.223 0.173 0.000 2.282 408 L HA 0.574 4.914 4.340 -0.000 0.000 0.288 408 L C -0.524 176.429 176.870 0.138 0.000 1.033 408 L CA -0.393 54.529 54.840 0.137 0.000 0.807 408 L CB 1.312 43.420 42.059 0.082 0.000 1.209 408 L HN 0.396 nan 8.230 nan 0.000 0.423 409 L N 3.431 124.734 121.223 0.134 0.000 2.325 409 L HA 0.458 4.798 4.340 -0.000 0.000 0.279 409 L C -0.114 176.791 176.870 0.060 0.000 1.054 409 L CA -0.705 54.201 54.840 0.109 0.000 0.804 409 L CB 1.265 43.390 42.059 0.110 0.000 1.200 409 L HN 0.584 nan 8.230 nan 0.000 0.436 410 N N 1.947 120.660 118.700 0.020 0.000 2.487 410 N HA 0.411 5.151 4.740 -0.000 0.000 0.292 410 N C -0.755 174.756 175.510 0.002 0.000 1.108 410 N CA -0.548 52.507 53.050 0.008 0.000 0.956 410 N CB 1.938 40.413 38.487 -0.021 0.000 1.176 410 N HN 0.479 nan 8.380 nan 0.000 0.484 411 E N 0.447 120.652 120.200 0.008 0.000 2.317 411 E HA 0.421 4.771 4.350 -0.000 0.000 0.270 411 E C -0.806 175.790 176.600 -0.006 0.000 0.885 411 E CA -0.556 55.839 56.400 -0.009 0.000 0.760 411 E CB 2.178 31.870 29.700 -0.013 0.000 1.227 411 E HN 0.333 nan 8.360 nan 0.000 0.434 412 T N 2.717 117.260 114.554 -0.019 0.000 2.807 412 T HA 0.708 5.058 4.350 -0.000 0.000 0.279 412 T C 0.325 175.014 174.700 -0.018 0.000 0.993 412 T CA -0.552 61.538 62.100 -0.016 0.000 0.970 412 T CB 0.502 69.356 68.868 -0.023 0.000 0.950 412 T HN 0.439 nan 8.240 nan 0.000 0.441 413 I N -0.544 120.022 120.570 -0.008 0.000 3.343 413 I HA 0.985 5.155 4.170 -0.000 0.000 0.315 413 I C -0.819 175.292 176.117 -0.010 0.000 1.153 413 I CA -1.850 59.446 61.300 -0.006 0.000 0.952 413 I CB 1.811 39.819 38.000 0.013 0.000 1.287 413 I HN 0.614 nan 8.210 nan 0.000 0.472 414 A N 1.616 124.429 122.820 -0.011 0.000 2.312 414 A HA 0.629 4.949 4.320 -0.000 0.000 0.326 414 A C -0.792 176.800 177.584 0.012 0.000 1.172 414 A CA -0.424 51.594 52.037 -0.032 0.000 0.821 414 A CB 0.571 19.525 19.000 -0.077 0.000 1.166 414 A HN 0.862 nan 8.150 nan 0.000 0.493 415 D N -0.118 120.282 120.400 0.001 0.000 2.478 415 D HA 0.158 4.798 4.640 -0.000 0.000 0.269 415 D C 0.711 177.072 176.300 0.102 0.000 1.232 415 D CA -0.012 54.028 54.000 0.066 0.000 1.059 415 D CB -0.070 40.745 40.800 0.026 0.000 1.104 415 D HN 0.624 nan 8.370 nan 0.000 0.566 416 Y N -2.392 117.972 120.300 0.108 0.000 2.569 416 Y HA 0.012 4.562 4.550 -0.000 0.000 0.293 416 Y C 1.626 177.697 175.900 0.285 0.000 1.144 416 Y CA 1.027 59.233 58.100 0.177 0.000 1.321 416 Y CB -1.195 37.342 38.460 0.127 0.000 0.982 416 Y HN 0.362 nan 8.280 nan 0.000 0.558 417 T N -3.739 110.620 114.554 -0.326 0.000 3.105 417 T HA 0.458 4.808 4.350 -0.000 0.000 0.253 417 T C 1.553 176.262 174.700 0.015 0.000 1.047 417 T CA 0.178 62.211 62.100 -0.112 0.000 0.944 417 T CB -0.338 68.335 68.868 -0.325 0.000 1.016 417 T HN 0.847 nan 8.240 nan 0.000 0.544 418 G N 0.712 109.423 108.800 -0.149 0.000 2.143 418 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.249 418 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.249 418 G C -0.030 174.688 174.900 -0.303 0.000 0.981 418 G CA -0.028 44.751 45.100 -0.534 0.000 0.665 418 G HN 0.704 nan 8.290 nan 0.000 0.528 419 V N 1.370 121.175 119.914 -0.182 0.000 2.481 419 V HA 0.463 4.583 4.120 -0.000 0.000 0.286 419 V C -1.574 174.463 176.094 -0.095 0.000 1.042 419 V CA -1.728 60.495 62.300 -0.128 0.000 0.928 419 V CB 1.696 33.458 31.823 -0.101 0.000 0.986 419 V HN 0.080 nan 8.190 nan 0.000 0.462 420 P HA 0.142 nan 4.420 nan 0.000 0.265 420 P C -0.600 176.678 177.300 -0.036 0.000 1.193 420 P CA 0.172 63.238 63.100 -0.056 0.000 0.765 420 P CB 0.337 32.005 31.700 -0.052 0.000 0.823 421 M N 2.467 122.055 119.600 -0.020 0.000 2.151 421 M HA 0.288 4.768 4.480 -0.000 0.000 0.290 421 M C -0.813 175.489 176.300 0.002 0.000 0.965 421 M CA -0.537 54.761 55.300 -0.003 0.000 0.930 421 M CB 1.559 34.167 32.600 0.013 0.000 1.560 421 M HN 0.209 nan 8.290 nan 0.000 0.438 422 E N 5.693 125.894 120.200 0.001 0.000 2.146 422 E HA 0.376 4.726 4.350 -0.000 0.000 0.282 422 E C -1.311 175.298 176.600 0.015 0.000 0.989 422 E CA -0.482 55.919 56.400 0.002 0.000 0.799 422 E CB 0.983 30.678 29.700 -0.008 0.000 1.088 422 E HN 0.757 nan 8.360 nan 0.000 0.397 423 I N 8.127 128.713 120.570 0.027 0.000 2.291 423 I HA 0.224 4.394 4.170 -0.000 0.000 0.292 423 I C -1.918 174.223 176.117 0.040 0.000 1.064 423 I CA -2.097 59.230 61.300 0.047 0.000 1.269 423 I CB 0.869 38.917 38.000 0.079 0.000 1.418 423 I HN 0.345 nan 8.210 nan 0.000 0.485 424 P HA 0.092 nan 4.420 nan 0.000 0.275 424 P C -0.453 176.869 177.300 0.037 0.000 1.227 424 P CA -0.223 62.887 63.100 0.018 0.000 0.781 424 P CB 0.623 32.325 31.700 0.003 0.000 0.906 425 R N 1.191 121.712 120.500 0.035 0.000 3.405 425 R HA -0.226 4.114 4.340 -0.000 0.000 0.258 425 R C 1.152 177.511 176.300 0.099 0.000 1.030 425 R CA 0.467 56.602 56.100 0.058 0.000 0.691 425 R CB -2.504 27.820 30.300 0.039 0.000 1.093 425 R HN 0.613 nan 8.270 nan 0.000 0.448 426 A N 0.238 123.128 122.820 0.116 0.000 1.969 426 A HA 0.091 4.411 4.320 -0.000 0.000 0.218 426 A C 1.034 178.780 177.584 0.271 0.000 1.169 426 A CA 0.942 53.092 52.037 0.187 0.000 0.635 426 A CB 0.285 19.378 19.000 0.154 0.000 0.810 426 A HN 0.382 nan 8.150 nan 0.000 0.445 427 I N -1.601 119.088 120.570 0.200 0.000 2.686 427 I HA 0.544 4.714 4.170 -0.000 0.000 0.295 427 I C -0.395 175.834 176.117 0.188 0.000 1.114 427 I CA -0.760 60.674 61.300 0.224 0.000 1.038 427 I CB 2.291 40.380 38.000 0.148 0.000 1.238 427 I HN 0.090 nan 8.210 nan 0.000 0.420 428 A N 5.391 128.347 122.820 0.228 0.000 2.330 428 A HA 0.854 5.174 4.320 -0.000 0.000 0.327 428 A C -0.965 176.754 177.584 0.225 0.000 1.155 428 A CA -0.522 51.665 52.037 0.251 0.000 0.803 428 A CB 1.399 20.593 19.000 0.322 0.000 1.208 428 A HN 0.412 nan 8.150 nan 0.000 0.477 429 V N 2.950 122.964 119.914 0.166 0.000 2.487 429 V HA 0.750 4.870 4.120 -0.000 0.000 0.298 429 V C -0.962 175.161 176.094 0.048 0.000 1.028 429 V CA -0.311 61.941 62.300 -0.079 0.000 0.860 429 V CB 0.684 32.342 31.823 -0.276 0.000 0.991 429 V HN 0.920 nan 8.190 nan 0.000 0.427 430 F N 1.085 120.912 119.950 -0.206 0.000 2.665 430 F HA 0.717 5.244 4.527 -0.000 0.000 0.308 430 F C -0.799 174.913 175.800 -0.145 0.000 1.112 430 F CA -1.022 56.927 58.000 -0.085 0.000 0.972 430 F CB 1.512 40.513 39.000 0.003 0.000 1.295 430 F HN 0.476 nan 8.300 nan 0.000 0.440 431 E N 2.464 122.752 120.200 0.147 0.000 2.248 431 E HA 0.692 5.042 4.350 -0.000 0.000 0.272 431 E C -1.023 175.694 176.600 0.195 0.000 1.008 431 E CA -0.949 55.473 56.400 0.037 0.000 0.856 431 E CB 1.518 31.342 29.700 0.207 0.000 1.120 431 E HN 0.866 nan 8.360 nan 0.000 0.397 432 R N 2.426 123.003 120.500 0.128 0.000 2.707 432 R HA 0.221 4.561 4.340 -0.000 0.000 0.272 432 R C -1.524 174.863 176.300 0.145 0.000 1.011 432 R CA -0.948 55.258 56.100 0.178 0.000 0.893 432 R CB 0.490 30.908 30.300 0.197 0.000 1.233 432 R HN 0.529 nan 8.270 nan 0.000 0.464 433 Y N 1.549 121.882 120.300 0.055 0.000 2.425 433 Y HA 0.428 4.978 4.550 -0.000 0.000 0.331 433 Y C -0.397 175.502 175.900 -0.002 0.000 1.157 433 Y CA 0.299 58.417 58.100 0.029 0.000 1.372 433 Y CB 1.262 39.735 38.460 0.022 0.000 1.253 433 Y HN 0.822 nan 8.280 nan 0.000 0.536 434 A N 5.347 127.762 122.820 -0.675 0.000 2.959 434 A HA 0.611 4.931 4.320 -0.000 0.000 0.280 434 A C 0.589 177.786 177.584 -0.645 0.000 0.953 434 A CA 0.083 51.805 52.037 -0.524 0.000 1.047 434 A CB -0.817 17.993 19.000 -0.317 0.000 1.147 434 A HN 1.775 nan 8.150 nan 0.000 0.489 435 G N 0.844 108.934 108.800 -1.185 0.000 2.782 435 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.228 435 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.228 435 G C -2.922 171.723 174.900 -0.425 0.000 1.372 435 G CA -0.374 44.363 45.100 -0.604 0.000 0.862 435 G HN 0.548 nan 8.290 nan 0.000 0.547 436 P HA 0.277 nan 4.420 nan 0.000 0.276 436 P C 0.481 177.719 177.300 -0.104 0.000 1.235 436 P CA 0.023 63.080 63.100 -0.071 0.000 0.772 436 P CB 1.793 33.495 31.700 0.003 0.000 0.871 437 E N 4.282 124.384 120.200 -0.163 0.000 2.051 437 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 437 E C 0.023 176.603 176.600 -0.033 0.000 0.991 437 E CA 1.881 58.191 56.400 -0.150 0.000 0.799 437 E CB -0.418 29.113 29.700 -0.283 0.000 0.748 437 E HN 0.595 nan 8.360 nan 0.000 0.449 438 Y N -2.976 117.331 120.300 0.011 0.000 2.641 438 Y HA 0.652 5.202 4.550 -0.000 0.000 0.333 438 Y C -1.095 174.823 175.900 0.030 0.000 1.174 438 Y CA -1.742 56.366 58.100 0.014 0.000 1.057 438 Y CB 0.660 39.123 38.460 0.004 0.000 1.322 438 Y HN -0.120 nan 8.280 nan 0.000 0.457 439 K N 1.294 121.897 120.400 0.337 0.000 2.562 439 K HA 0.550 4.869 4.320 -0.000 0.000 0.267 439 K C -2.625 174.124 176.600 0.248 0.000 0.938 439 K CA -0.809 55.630 56.287 0.252 0.000 0.840 439 K CB 2.153 34.735 32.500 0.137 0.000 1.390 439 K HN 1.048 nan 8.250 nan 0.000 0.428 440 H N 1.963 121.087 119.070 0.090 0.000 3.149 440 H HA 0.238 4.794 4.556 -0.000 0.000 0.334 440 H C -1.856 173.494 175.328 0.036 0.000 1.000 440 H CA -0.333 55.741 56.048 0.044 0.000 1.415 440 H CB 1.748 31.519 29.762 0.015 0.000 1.819 440 H HN 0.529 nan 8.280 nan 0.000 0.486 441 Q N 3.696 123.241 119.800 -0.425 0.000 2.563 441 Q HA 0.242 4.582 4.340 -0.000 0.000 0.232 441 Q C -0.817 174.847 176.000 -0.559 0.000 1.106 441 Q CA -0.736 54.850 55.803 -0.361 0.000 0.913 441 Q CB 0.542 29.192 28.738 -0.147 0.000 1.175 441 Q HN 0.597 nan 8.270 nan 0.000 0.540 442 E N 3.182 122.974 120.200 -0.680 0.000 2.366 442 E HA 0.019 4.369 4.350 -0.000 0.000 0.266 442 E C -0.462 176.046 176.600 -0.153 0.000 1.015 442 E CA -0.005 56.175 56.400 -0.367 0.000 0.906 442 E CB 0.410 30.041 29.700 -0.115 0.000 0.979 442 E HN 0.773 nan 8.360 nan 0.000 0.443 443 M N 4.814 124.367 119.600 -0.079 0.000 2.336 443 M HA 0.024 4.504 4.480 -0.000 0.000 0.371 443 M C 0.933 177.214 176.300 -0.032 0.000 1.542 443 M CA 1.823 57.097 55.300 -0.044 0.000 0.959 443 M CB -0.328 32.263 32.600 -0.016 0.000 2.033 443 M HN 0.832 nan 8.290 nan 0.000 0.472 444 G N 2.819 111.600 108.800 -0.032 0.000 2.168 444 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.263 444 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.263 444 G C -0.211 174.676 174.900 -0.023 0.000 0.977 444 G CA 0.227 45.313 45.100 -0.022 0.000 0.659 444 G HN 0.673 nan 8.290 nan 0.000 0.533 445 Q N -0.488 119.291 119.800 -0.035 0.000 2.359 445 Q HA 0.540 4.880 4.340 -0.000 0.000 0.275 445 Q C -2.651 173.328 176.000 -0.035 0.000 1.082 445 Q CA -1.937 53.848 55.803 -0.030 0.000 0.849 445 Q CB 1.196 29.917 28.738 -0.028 0.000 1.377 445 Q HN 0.140 nan 8.270 nan 0.000 0.452 446 P HA 0.011 nan 4.420 nan 0.000 0.268 446 P C -0.086 177.200 177.300 -0.023 0.000 1.204 446 P CA -0.086 63.004 63.100 -0.016 0.000 0.768 446 P CB 0.497 32.194 31.700 -0.004 0.000 0.842 447 N N 2.083 120.769 118.700 -0.023 0.000 2.415 447 N HA 0.077 4.817 4.740 -0.000 0.000 0.248 447 N C -1.192 174.326 175.510 0.013 0.000 1.271 447 N CA 0.177 53.214 53.050 -0.023 0.000 0.913 447 N CB 0.492 38.970 38.487 -0.016 0.000 1.129 447 N HN 0.026 nan 8.380 nan 0.000 0.444 448 V N 1.642 121.579 119.914 0.039 0.000 2.482 448 V HA 0.360 4.480 4.120 -0.000 0.000 0.295 448 V C -0.782 175.393 176.094 0.136 0.000 1.026 448 V CA -0.580 61.779 62.300 0.100 0.000 0.856 448 V CB 1.331 33.237 31.823 0.138 0.000 1.001 448 V HN 0.679 nan 8.190 nan 0.000 0.424 449 S N 2.555 118.314 115.700 0.099 0.000 2.536 449 S HA 0.825 5.295 4.470 -0.000 0.000 0.271 449 S C -0.366 174.211 174.600 -0.039 0.000 1.134 449 S CA -0.740 57.492 58.200 0.053 0.000 0.897 449 S CB 2.382 65.604 63.200 0.037 0.000 1.094 449 S HN 0.937 nan 8.310 nan 0.000 0.473 450 T N -0.737 113.694 114.554 -0.206 0.000 2.893 450 T HA 0.654 5.004 4.350 -0.000 0.000 0.293 450 T C -0.810 173.763 174.700 -0.212 0.000 1.027 450 T CA -1.029 60.910 62.100 -0.269 0.000 0.988 450 T CB 1.448 69.989 68.868 -0.545 0.000 1.043 450 T HN 0.677 nan 8.240 nan 0.000 0.461 451 E N 2.219 122.372 120.200 -0.078 0.000 2.313 451 E HA 0.381 4.731 4.350 -0.000 0.000 0.272 451 E C -0.224 176.342 176.600 -0.057 0.000 1.038 451 E CA -1.099 55.309 56.400 0.014 0.000 0.863 451 E CB 1.387 31.214 29.700 0.212 0.000 1.060 451 E HN 0.707 nan 8.360 nan 0.000 0.402 452 R N 1.813 122.239 120.500 -0.122 0.000 2.349 452 R HA 0.263 4.603 4.340 -0.000 0.000 0.299 452 R C -0.729 175.538 176.300 -0.055 0.000 1.027 452 R CA -0.651 55.385 56.100 -0.106 0.000 0.958 452 R CB 0.794 31.000 30.300 -0.158 0.000 1.047 452 R HN 0.487 nan 8.270 nan 0.000 0.468 453 R N 2.936 123.484 120.500 0.079 0.000 2.599 453 R HA 0.345 4.685 4.340 -0.000 0.000 0.295 453 R C -0.991 175.465 176.300 0.260 0.000 0.963 453 R CA -0.711 55.510 56.100 0.202 0.000 0.883 453 R CB 2.046 32.566 30.300 0.367 0.000 1.171 453 R HN 0.755 nan 8.270 nan 0.000 0.450 454 E N 1.738 121.985 120.200 0.079 0.000 2.266 454 E HA 0.355 4.705 4.350 -0.000 0.000 0.268 454 E C -0.935 175.434 176.600 -0.384 0.000 0.879 454 E CA -1.130 55.201 56.400 -0.115 0.000 0.762 454 E CB 2.709 32.216 29.700 -0.322 0.000 1.199 454 E HN 0.084 nan 8.360 nan 0.000 0.422 455 L N 3.083 123.868 121.223 -0.730 0.000 2.272 455 L HA 0.361 4.701 4.340 -0.000 0.000 0.289 455 L C -1.336 175.181 176.870 -0.589 0.000 1.032 455 L CA -0.583 53.657 54.840 -1.000 0.000 0.810 455 L CB 1.335 42.425 42.059 -1.616 0.000 1.205 455 L HN 0.311 nan 8.230 nan 0.000 0.422 456 V N 5.731 125.195 119.914 -0.751 0.000 2.483 456 V HA 0.519 4.639 4.120 -0.000 0.000 0.295 456 V C -0.405 175.343 176.094 -0.575 0.000 1.035 456 V CA -0.726 61.140 62.300 -0.725 0.000 0.896 456 V CB 1.881 32.964 31.823 -1.234 0.000 0.986 456 V HN 0.472 nan 8.190 nan 0.000 0.447 457 V N 5.543 125.351 119.914 -0.177 0.000 2.350 457 V HA 0.504 4.623 4.120 -0.000 0.000 0.285 457 V C 0.049 176.255 176.094 0.186 0.000 1.014 457 V CA -0.584 61.725 62.300 0.015 0.000 0.831 457 V CB 1.383 33.287 31.823 0.135 0.000 1.000 457 V HN 0.877 nan 8.190 nan 0.000 0.433 458 R N 3.935 124.577 120.500 0.237 0.000 2.445 458 R HA 0.542 4.882 4.340 -0.000 0.000 0.308 458 R C -1.783 174.789 176.300 0.452 0.000 0.961 458 R CA -0.579 55.748 56.100 0.378 0.000 0.862 458 R CB 1.610 32.169 30.300 0.431 0.000 1.144 458 R HN 0.665 nan 8.270 nan 0.000 0.447 459 W N 6.769 128.246 121.300 0.297 0.000 2.883 459 W HA 0.545 5.205 4.660 -0.000 0.000 0.335 459 W C -1.866 174.835 176.519 0.303 0.000 1.083 459 W CA -0.825 56.679 57.345 0.265 0.000 1.233 459 W CB 1.108 30.724 29.460 0.260 0.000 1.412 459 W HN 0.422 nan 8.180 nan 0.000 0.490 460 I N 5.532 125.865 120.570 -0.394 0.000 2.465 460 I HA 0.371 4.541 4.170 -0.000 0.000 0.291 460 I C -0.250 175.433 176.117 -0.724 0.000 1.014 460 I CA -0.880 60.129 61.300 -0.485 0.000 1.093 460 I CB 1.952 39.835 38.000 -0.194 0.000 1.267 460 I HN 0.369 nan 8.210 nan 0.000 0.431 461 S N 3.602 118.902 115.700 -0.668 0.000 2.526 461 S HA 0.677 5.147 4.470 -0.000 0.000 0.293 461 S C -0.758 173.756 174.600 -0.142 0.000 1.092 461 S CA -0.279 57.695 58.200 -0.377 0.000 0.980 461 S CB 1.748 64.713 63.200 -0.391 0.000 1.048 461 S HN 0.578 nan 8.310 nan 0.000 0.483 462 T N 3.376 117.888 114.554 -0.070 0.000 2.840 462 T HA 0.495 4.845 4.350 -0.000 0.000 0.287 462 T C -1.131 173.561 174.700 -0.013 0.000 0.991 462 T CA -0.447 61.602 62.100 -0.084 0.000 0.964 462 T CB 1.277 70.076 68.868 -0.115 0.000 0.954 462 T HN 0.442 nan 8.240 nan 0.000 0.438 463 V N 3.652 123.557 119.914 -0.015 0.000 2.289 463 V HA 0.682 4.802 4.120 -0.000 0.000 0.272 463 V C 1.036 177.070 176.094 -0.100 0.000 1.026 463 V CA 0.208 62.498 62.300 -0.017 0.000 0.807 463 V CB 0.061 31.881 31.823 -0.004 0.000 1.044 463 V HN 1.266 nan 8.190 nan 0.000 0.443 464 G N 5.341 114.142 108.800 0.003 0.000 2.559 464 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.282 464 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.282 464 G C 0.222 175.037 174.900 -0.143 0.000 1.177 464 G CA 0.321 45.472 45.100 0.084 0.000 0.960 464 G HN 0.871 nan 8.290 nan 0.000 0.540 468 Y N 1.137 121.285 120.300 -0.253 0.000 2.352 468 Y HA 0.652 5.202 4.550 -0.000 0.000 0.339 468 Y C 0.097 175.721 175.900 -0.459 0.000 0.992 468 Y CA -0.811 57.079 58.100 -0.350 0.000 1.100 468 Y CB 1.333 39.726 38.460 -0.111 0.000 1.192 468 Y HN 0.256 nan 8.280 nan 0.000 0.458 469 I N 4.150 124.409 120.570 -0.519 0.000 2.433 469 I HA 0.409 4.579 4.170 -0.000 0.000 0.292 469 I C -1.278 174.525 176.117 -0.524 0.000 1.001 469 I CA -0.664 60.398 61.300 -0.397 0.000 1.119 469 I CB 1.257 39.018 38.000 -0.398 0.000 1.289 469 I HN 0.360 nan 8.210 nan 0.000 0.438 470 F N 3.312 123.348 119.950 0.143 0.000 2.518 470 F HA 0.427 4.954 4.527 -0.000 0.000 0.323 470 F C -0.391 175.577 175.800 0.280 0.000 1.129 470 F CA -0.781 57.366 58.000 0.244 0.000 0.920 470 F CB 1.559 40.854 39.000 0.493 0.000 1.160 470 F HN 0.312 nan 8.300 nan 0.000 0.440 471 D N 2.350 122.891 120.400 0.235 0.000 2.391 471 D HA 0.255 4.895 4.640 -0.000 0.000 0.245 471 D C -1.350 174.847 176.300 -0.170 0.000 1.069 471 D CA -0.238 53.836 54.000 0.124 0.000 0.831 471 D CB 1.342 42.170 40.800 0.048 0.000 1.204 471 D HN 0.335 nan 8.370 nan 0.000 0.503 472 W N 2.760 123.990 121.300 -0.116 0.000 2.294 472 W HA 0.482 5.142 4.660 -0.000 0.000 0.314 472 W C -0.028 176.223 176.519 -0.448 0.000 1.044 472 W CA -0.595 56.555 57.345 -0.325 0.000 1.284 472 W CB 0.630 29.917 29.460 -0.289 0.000 1.231 472 W HN 0.126 nan 8.180 nan 0.000 0.419 473 I N 4.512 124.826 120.570 -0.426 0.000 2.330 473 I HA 0.314 4.484 4.170 -0.000 0.000 0.289 473 I C -0.867 174.972 176.117 -0.465 0.000 1.001 473 I CA -0.920 60.161 61.300 -0.365 0.000 1.193 473 I CB 0.540 38.406 38.000 -0.223 0.000 1.345 473 I HN 0.095 nan 8.210 nan 0.000 0.461 474 F N 4.663 124.420 119.950 -0.322 0.000 2.361 474 F HA 0.376 4.902 4.527 -0.000 0.000 0.364 474 F C 0.798 176.692 175.800 0.157 0.000 1.120 474 F CA -0.434 57.352 58.000 -0.357 0.000 1.102 474 F CB 0.298 38.783 39.000 -0.857 0.000 1.183 474 F HN 0.396 nan 8.300 nan 0.000 0.476 475 H N 2.801 122.070 119.070 0.331 0.000 2.525 475 H HA 0.137 4.693 4.556 -0.000 0.000 0.339 475 H C 0.689 176.494 175.328 0.795 0.000 1.109 475 H CA -0.473 55.851 56.048 0.461 0.000 1.352 475 H CB 1.459 31.382 29.762 0.268 0.000 1.461 475 H HN 0.714 nan 8.280 nan 0.000 0.533 476 E N 1.521 122.140 120.200 0.699 0.000 2.118 476 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 476 E C 1.183 178.015 176.600 0.387 0.000 0.992 476 E CA 1.195 57.853 56.400 0.431 0.000 0.804 476 E CB -0.063 29.722 29.700 0.141 0.000 0.741 476 E HN 0.684 nan 8.360 nan 0.000 0.458 477 N N -0.557 118.345 118.700 0.337 0.000 2.501 477 N HA -0.026 4.714 4.740 -0.000 0.000 0.195 477 N C 1.102 176.679 175.510 0.113 0.000 1.213 477 N CA 0.467 53.606 53.050 0.147 0.000 0.864 477 N CB 0.570 39.120 38.487 0.105 0.000 0.999 477 N HN 0.171 nan 8.380 nan 0.000 0.454 478 G N -0.219 108.828 108.800 0.411 0.000 2.213 478 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.236 478 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.236 478 G C 0.235 175.516 174.900 0.636 0.000 0.991 478 G CA 0.298 45.644 45.100 0.411 0.000 0.629 478 G HN 0.428 nan 8.290 nan 0.000 0.517 479 T N 1.167 115.944 114.554 0.372 0.000 2.899 479 T HA 0.598 4.948 4.350 -0.000 0.000 0.295 479 T C 0.352 175.062 174.700 0.017 0.000 1.033 479 T CA 0.450 62.589 62.100 0.065 0.000 1.084 479 T CB 1.360 70.003 68.868 -0.375 0.000 0.979 479 T HN 0.346 nan 8.240 nan 0.000 0.532 480 I N 1.502 121.996 120.570 -0.127 0.000 2.499 480 I HA 0.513 4.683 4.170 -0.000 0.000 0.288 480 I C 0.498 176.417 176.117 -0.330 0.000 1.048 480 I CA -0.776 60.338 61.300 -0.311 0.000 1.062 480 I CB 2.011 39.796 38.000 -0.358 0.000 1.238 480 I HN 0.704 nan 8.210 nan 0.000 0.426 481 G N 6.603 115.212 108.800 -0.318 0.000 2.432 481 G HA2 0.839 4.799 3.960 -0.000 0.000 0.331 481 G HA3 0.839 4.799 3.960 -0.000 0.000 0.331 481 G C -0.927 173.711 174.900 -0.437 0.000 1.170 481 G CA -0.481 44.457 45.100 -0.271 0.000 0.943 481 G HN 0.495 nan 8.290 nan 0.000 0.483 482 I N 1.821 122.089 120.570 -0.503 0.000 2.503 482 I HA 0.251 4.421 4.170 -0.000 0.000 0.282 482 I C -1.325 174.467 176.117 -0.540 0.000 1.059 482 I CA -0.786 60.026 61.300 -0.814 0.000 1.081 482 I CB 2.030 39.219 38.000 -1.352 0.000 1.210 482 I HN 0.249 nan 8.210 nan 0.000 0.450 483 D N 5.219 125.418 120.400 -0.334 0.000 2.269 483 D HA 0.728 5.368 4.640 -0.000 0.000 0.244 483 D C -0.480 175.790 176.300 -0.050 0.000 0.992 483 D CA -0.350 53.594 54.000 -0.094 0.000 0.894 483 D CB 2.660 43.503 40.800 0.073 0.000 1.248 483 D HN 0.539 nan 8.370 nan 0.000 0.468 484 A N 0.649 123.391 122.820 -0.130 0.000 2.343 484 A HA 0.714 5.034 4.320 -0.000 0.000 0.308 484 A C 0.003 177.200 177.584 -0.644 0.000 1.092 484 A CA -0.653 51.038 52.037 -0.576 0.000 0.751 484 A CB 1.535 19.940 19.000 -0.990 0.000 1.203 484 A HN 0.492 nan 8.150 nan 0.000 0.452 485 G N 0.359 108.530 108.800 -1.048 0.000 2.432 485 G HA2 0.765 4.725 3.960 -0.000 0.000 0.331 485 G HA3 0.765 4.725 3.960 -0.000 0.000 0.331 485 G C -0.502 173.863 174.900 -0.891 0.000 1.170 485 G CA -0.023 44.187 45.100 -1.484 0.000 0.943 485 G HN 1.619 nan 8.290 nan 0.000 0.483 486 A N 0.623 123.000 122.820 -0.738 0.000 2.374 486 A HA 0.897 5.217 4.320 -0.000 0.000 0.305 486 A C -0.186 177.081 177.584 -0.528 0.000 1.053 486 A CA -0.339 51.382 52.037 -0.528 0.000 0.726 486 A CB 2.132 20.893 19.000 -0.398 0.000 1.229 486 A HN 1.143 nan 8.150 nan 0.000 0.431 487 T N 0.320 114.567 114.554 -0.512 0.000 2.626 487 T HA 0.835 5.185 4.350 -0.000 0.000 0.299 487 T C 0.341 174.789 174.700 -0.420 0.000 1.181 487 T CA 1.001 62.859 62.100 -0.404 0.000 1.053 487 T CB 0.858 69.505 68.868 -0.368 0.000 1.566 487 T HN 2.755 nan 8.240 nan 0.000 0.486 488 G N 0.554 109.118 108.800 -0.395 0.000 2.416 488 G HA2 0.045 4.005 3.960 -0.000 0.000 0.203 488 G HA3 0.045 4.005 3.960 -0.000 0.000 0.203 488 G C -1.485 173.129 174.900 -0.477 0.000 1.227 488 G CA -0.235 44.579 45.100 -0.476 0.000 1.041 488 G HN 0.856 nan 8.290 nan 0.000 0.546 489 I N 1.634 121.859 120.570 -0.575 0.000 2.404 489 I HA 0.404 4.574 4.170 -0.000 0.000 0.293 489 I C 0.662 176.586 176.117 -0.322 0.000 0.992 489 I CA -0.712 60.269 61.300 -0.532 0.000 1.149 489 I CB 1.059 38.559 38.000 -0.834 0.000 1.315 489 I HN 0.636 nan 8.210 nan 0.000 0.446 490 E N 3.297 123.513 120.200 0.026 0.000 2.383 490 E HA 0.397 4.747 4.350 -0.000 0.000 0.264 490 E C -0.064 176.666 176.600 0.216 0.000 1.050 490 E CA -0.456 56.051 56.400 0.179 0.000 0.896 490 E CB 1.099 30.994 29.700 0.326 0.000 0.982 490 E HN 0.699 nan 8.360 nan 0.000 0.424 491 A N 2.594 125.542 122.820 0.214 0.000 2.347 491 A HA 0.336 4.656 4.320 -0.000 0.000 0.287 491 A C 0.011 177.878 177.584 0.472 0.000 1.199 491 A CA -0.558 51.675 52.037 0.327 0.000 0.851 491 A CB -0.222 18.919 19.000 0.235 0.000 1.118 491 A HN 0.376 nan 8.150 nan 0.000 0.525 492 V N 0.597 120.804 119.914 0.487 0.000 2.769 492 V HA 0.694 4.814 4.120 -0.000 0.000 0.312 492 V C -0.214 176.188 176.094 0.514 0.000 1.058 492 V CA -1.107 61.392 62.300 0.332 0.000 0.952 492 V CB 1.649 33.444 31.823 -0.047 0.000 1.019 492 V HN 0.833 nan 8.190 nan 0.000 0.445 493 K N 2.196 122.760 120.400 0.274 0.000 2.185 493 K HA 0.642 4.962 4.320 -0.000 0.000 0.269 493 K C 0.258 176.947 176.600 0.148 0.000 0.987 493 K CA -0.231 56.250 56.287 0.322 0.000 0.865 493 K CB 1.327 33.774 32.500 -0.089 0.000 1.090 493 K HN 1.199 nan 8.250 nan 0.000 0.450 494 G N 2.638 111.548 108.800 0.184 0.000 2.378 494 G HA2 0.401 4.361 3.960 -0.000 0.000 0.255 494 G HA3 0.401 4.361 3.960 -0.000 0.000 0.255 494 G C -0.450 174.495 174.900 0.075 0.000 1.270 494 G CA -0.381 44.788 45.100 0.115 0.000 0.876 494 G HN 0.493 nan 8.290 nan 0.000 0.521 495 V N 0.090 120.029 119.914 0.042 0.000 3.130 495 V HA 0.582 4.702 4.120 -0.000 0.000 0.310 495 V C 0.772 176.882 176.094 0.026 0.000 1.158 495 V CA -1.174 61.140 62.300 0.024 0.000 1.029 495 V CB 2.079 33.898 31.823 -0.008 0.000 1.057 495 V HN 0.665 nan 8.190 nan 0.000 0.436 496 K N 1.277 121.688 120.400 0.019 0.000 2.228 496 K HA 0.330 4.650 4.320 -0.000 0.000 0.202 496 K C 1.054 177.662 176.600 0.012 0.000 1.051 496 K CA 1.184 57.481 56.287 0.018 0.000 0.960 496 K CB -0.040 32.468 32.500 0.013 0.000 0.743 496 K HN 0.942 nan 8.250 nan 0.000 0.458 497 A N 1.820 124.642 122.820 0.004 0.000 2.462 497 A HA 0.042 4.362 4.320 -0.000 0.000 0.243 497 A C 0.551 178.144 177.584 0.016 0.000 1.076 497 A CA 0.093 52.130 52.037 -0.000 0.000 0.773 497 A CB 0.398 19.389 19.000 -0.015 0.000 1.010 497 A HN 0.182 nan 8.150 nan 0.000 0.493 498 K N 0.115 120.519 120.400 0.008 0.000 2.313 498 K HA 0.100 4.420 4.320 -0.000 0.000 0.197 498 K C 0.652 177.311 176.600 0.098 0.000 1.061 498 K CA 1.270 57.568 56.287 0.017 0.000 0.980 498 K CB 0.336 32.744 32.500 -0.154 0.000 0.888 498 K HN 0.904 nan 8.250 nan 0.000 0.502 499 T N -2.987 111.585 114.554 0.030 0.000 2.804 499 T HA 0.281 4.631 4.350 -0.000 0.000 0.290 499 T C 0.552 175.204 174.700 -0.080 0.000 1.099 499 T CA -0.849 61.256 62.100 0.008 0.000 1.011 499 T CB 1.184 70.067 68.868 0.026 0.000 1.291 499 T HN -0.274 nan 8.240 nan 0.000 0.523 500 M N 0.747 120.218 119.600 -0.215 0.000 2.659 500 M HA 0.073 4.553 4.480 -0.000 0.000 0.243 500 M C 1.078 177.224 176.300 -0.257 0.000 1.111 500 M CA 0.758 55.911 55.300 -0.246 0.000 1.070 500 M CB -1.301 31.133 32.600 -0.277 0.000 1.525 500 M HN 0.616 nan 8.290 nan 0.000 0.517 501 H N -0.457 118.612 119.070 -0.002 0.000 2.539 501 H HA 0.213 4.769 4.556 -0.000 0.000 0.269 501 H C -0.016 175.306 175.328 -0.011 0.000 0.980 501 H CA -0.022 56.022 56.048 -0.007 0.000 1.152 501 H CB 0.271 30.031 29.762 -0.004 0.000 1.407 501 H HN 0.269 nan 8.280 nan 0.000 0.564 502 D N 0.902 121.339 120.400 0.062 0.000 2.329 502 D HA 0.016 4.656 4.640 -0.000 0.000 0.246 502 D C 1.216 177.525 176.300 0.015 0.000 1.111 502 D CA -0.187 53.833 54.000 0.033 0.000 0.941 502 D CB 1.564 42.371 40.800 0.012 0.000 1.169 502 D HN 0.224 nan 8.370 nan 0.000 0.441 503 E N 0.021 120.227 120.200 0.011 0.000 2.065 503 E HA -0.208 4.142 4.350 -0.000 0.000 0.201 503 E C 1.655 178.251 176.600 -0.008 0.000 1.016 503 E CA 1.830 58.231 56.400 0.002 0.000 0.818 503 E CB -0.078 29.623 29.700 0.001 0.000 0.749 503 E HN 0.566 nan 8.360 nan 0.000 0.453 504 T N -1.560 112.988 114.554 -0.010 0.000 3.148 504 T HA 0.288 4.638 4.350 -0.000 0.000 0.253 504 T C 1.800 176.480 174.700 -0.032 0.000 1.134 504 T CA 0.450 62.539 62.100 -0.018 0.000 1.051 504 T CB 0.171 69.031 68.868 -0.012 0.000 0.959 504 T HN 0.192 nan 8.240 nan 0.000 0.525 505 A N 2.758 125.558 122.820 -0.033 0.000 1.884 505 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 505 A C 2.354 179.896 177.584 -0.070 0.000 1.197 505 A CA 2.247 54.253 52.037 -0.051 0.000 0.637 505 A CB -0.922 18.046 19.000 -0.054 0.000 0.827 505 A HN 0.596 nan 8.150 nan 0.000 0.450 506 K N -0.915 119.446 120.400 -0.066 0.000 2.032 506 K HA -0.226 4.094 4.320 -0.000 0.000 0.209 506 K C 1.509 178.042 176.600 -0.111 0.000 1.048 506 K CA 1.888 58.124 56.287 -0.084 0.000 0.927 506 K CB -0.281 32.178 32.500 -0.068 0.000 0.712 506 K HN 0.486 nan 8.250 nan 0.000 0.441 507 D N 0.870 121.215 120.400 -0.091 0.000 2.144 507 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 507 D C 1.443 177.674 176.300 -0.115 0.000 0.978 507 D CA 0.985 54.922 54.000 -0.105 0.000 0.833 507 D CB -0.174 40.591 40.800 -0.059 0.000 0.961 507 D HN 0.294 nan 8.370 nan 0.000 0.470 508 D N -0.044 120.305 120.400 -0.085 0.000 2.264 508 D HA -0.086 4.554 4.640 -0.000 0.000 0.208 508 D C 1.752 177.983 176.300 -0.115 0.000 0.966 508 D CA 1.014 54.968 54.000 -0.078 0.000 0.864 508 D CB -0.135 40.632 40.800 -0.055 0.000 0.933 508 D HN 0.304 nan 8.370 nan 0.000 0.499 509 T N -2.504 111.965 114.554 -0.141 0.000 3.176 509 T HA 0.184 4.534 4.350 -0.000 0.000 0.263 509 T C 1.438 176.002 174.700 -0.226 0.000 1.021 509 T CA -0.494 61.511 62.100 -0.158 0.000 0.905 509 T CB 0.539 69.330 68.868 -0.129 0.000 1.057 509 T HN -0.039 nan 8.240 nan 0.000 0.558 510 R N 0.133 120.422 120.500 -0.352 0.000 2.148 510 R HA -0.014 4.326 4.340 -0.000 0.000 0.227 510 R C 0.357 176.245 176.300 -0.686 0.000 1.103 510 R CA 1.200 56.947 56.100 -0.588 0.000 0.983 510 R CB -0.025 29.745 30.300 -0.883 0.000 0.874 510 R HN 0.537 nan 8.270 nan 0.000 0.451 511 Y N -1.446 118.773 120.300 -0.134 0.000 2.612 511 Y HA 0.483 5.033 4.550 -0.000 0.000 0.250 511 Y C 0.409 176.202 175.900 -0.179 0.000 1.175 511 Y CA -0.001 58.007 58.100 -0.153 0.000 1.205 511 Y CB 1.584 39.939 38.460 -0.175 0.000 1.201 511 Y HN 0.118 nan 8.280 nan 0.000 0.532 512 G N -0.897 107.847 108.800 -0.093 0.000 2.387 512 G HA2 0.333 4.293 3.960 -0.000 0.000 0.294 512 G HA3 0.333 4.293 3.960 -0.000 0.000 0.294 512 G C -1.157 173.668 174.900 -0.125 0.000 1.509 512 G CA -0.948 44.083 45.100 -0.116 0.000 0.806 512 G HN -0.188 nan 8.290 nan 0.000 0.546 513 T N 0.636 115.119 114.554 -0.117 0.000 2.913 513 T HA 0.370 4.720 4.350 -0.000 0.000 0.297 513 T C 0.258 174.887 174.700 -0.118 0.000 1.029 513 T CA -0.072 61.966 62.100 -0.104 0.000 1.104 513 T CB 1.404 70.225 68.868 -0.078 0.000 0.964 513 T HN 0.608 nan 8.240 nan 0.000 0.532 514 L N 5.237 126.396 121.223 -0.107 0.000 2.334 514 L HA 0.341 4.681 4.340 -0.000 0.000 0.286 514 L C 0.949 177.749 176.870 -0.117 0.000 1.108 514 L CA -0.001 54.771 54.840 -0.114 0.000 0.875 514 L CB -0.504 41.504 42.059 -0.084 0.000 1.246 514 L HN 0.717 nan 8.230 nan 0.000 0.439 515 I N -0.229 120.235 120.570 -0.178 0.000 3.603 515 I HA 0.384 4.554 4.170 -0.000 0.000 0.297 515 I C 0.009 176.003 176.117 -0.205 0.000 1.269 515 I CA 0.146 61.348 61.300 -0.165 0.000 1.361 515 I CB 0.120 38.020 38.000 -0.166 0.000 1.063 515 I HN 0.482 nan 8.210 nan 0.000 0.448 516 D N -0.375 119.863 120.400 -0.269 0.000 2.665 516 D HA 0.301 4.941 4.640 -0.000 0.000 0.287 516 D C -1.004 175.227 176.300 -0.115 0.000 1.266 516 D CA -0.588 53.273 54.000 -0.232 0.000 0.830 516 D CB 1.171 41.802 40.800 -0.281 0.000 1.356 516 D HN 0.161 nan 8.370 nan 0.000 0.437 517 H N 1.194 120.262 119.070 -0.004 0.000 3.046 517 H HA 0.195 4.751 4.556 -0.000 0.000 0.303 517 H C 0.186 175.514 175.328 -0.001 0.000 1.002 517 H CA 0.444 56.496 56.048 0.007 0.000 1.460 517 H CB -0.069 29.720 29.762 0.045 0.000 1.493 517 H HN 0.361 nan 8.280 nan 0.000 0.559 518 N N 1.254 120.017 118.700 0.105 0.000 2.800 518 N HA -0.188 4.552 4.740 -0.000 0.000 0.250 518 N C -1.168 174.345 175.510 0.004 0.000 1.078 518 N CA 0.873 53.955 53.050 0.054 0.000 0.804 518 N CB -0.989 37.550 38.487 0.086 0.000 1.135 518 N HN 0.493 nan 8.380 nan 0.000 0.565 519 I N 0.354 120.878 120.570 -0.077 0.000 2.468 519 I HA 0.386 4.556 4.170 -0.000 0.000 0.285 519 I C -0.518 175.448 176.117 -0.252 0.000 1.039 519 I CA -0.965 60.216 61.300 -0.199 0.000 1.074 519 I CB 1.882 39.639 38.000 -0.406 0.000 1.228 519 I HN -0.248 nan 8.210 nan 0.000 0.436 520 V N 4.812 124.608 119.914 -0.196 0.000 2.448 520 V HA 0.461 4.581 4.120 -0.000 0.000 0.295 520 V C 0.635 176.610 176.094 -0.198 0.000 1.025 520 V CA -0.554 61.630 62.300 -0.193 0.000 0.859 520 V CB 1.797 33.525 31.823 -0.159 0.000 0.988 520 V HN 0.881 nan 8.190 nan 0.000 0.431 521 G N 2.883 111.570 108.800 -0.188 0.000 2.519 521 G HA2 0.307 4.267 3.960 -0.000 0.000 0.306 521 G HA3 0.307 4.267 3.960 -0.000 0.000 0.306 521 G C 0.318 175.160 174.900 -0.097 0.000 0.965 521 G CA -0.136 44.895 45.100 -0.114 0.000 1.291 521 G HN 0.644 nan 8.290 nan 0.000 0.450 522 T N 2.554 117.042 114.554 -0.110 0.000 2.866 522 T HA 0.076 4.426 4.350 -0.000 0.000 0.293 522 T C 1.164 175.925 174.700 0.101 0.000 1.005 522 T CA 0.431 62.453 62.100 -0.130 0.000 1.162 522 T CB 0.401 68.987 68.868 -0.469 0.000 0.968 522 T HN 0.432 nan 8.240 nan 0.000 0.530 523 T N 5.598 120.146 114.554 -0.011 0.000 2.946 523 T HA 0.209 4.559 4.350 -0.000 0.000 0.311 523 T C 0.327 174.981 174.700 -0.075 0.000 1.063 523 T CA -0.040 62.007 62.100 -0.088 0.000 1.139 523 T CB -0.031 68.769 68.868 -0.114 0.000 0.994 523 T HN 0.860 nan 8.240 nan 0.000 0.547 524 H N 0.132 118.992 119.070 -0.350 0.000 2.883 524 H HA 0.472 5.028 4.556 -0.000 0.000 0.277 524 H C -1.416 173.697 175.328 -0.359 0.000 1.451 524 H CA -1.106 54.636 56.048 -0.510 0.000 1.157 524 H CB 0.979 30.026 29.762 -1.192 0.000 1.851 524 H HN 0.548 nan 8.280 nan 0.000 0.566 525 Q N 0.023 119.624 119.800 -0.330 0.000 2.458 525 Q HA 0.394 4.734 4.340 -0.000 0.000 0.282 525 Q C -1.081 174.741 176.000 -0.298 0.000 1.106 525 Q CA -0.992 54.654 55.803 -0.263 0.000 0.814 525 Q CB 2.896 31.559 28.738 -0.125 0.000 1.425 525 Q HN 0.496 nan 8.270 nan 0.000 0.437 526 H N 1.273 120.304 119.070 -0.064 0.000 2.708 526 H HA 0.461 5.017 4.556 -0.000 0.000 0.320 526 H C -0.937 174.155 175.328 -0.392 0.000 0.991 526 H CA -0.264 55.670 56.048 -0.190 0.000 1.243 526 H CB 0.803 30.520 29.762 -0.076 0.000 1.446 526 H HN 0.458 nan 8.280 nan 0.000 0.502 527 I N 4.710 125.074 120.570 -0.345 0.000 2.410 527 I HA 0.190 4.360 4.170 -0.000 0.000 0.286 527 I C -0.845 175.107 176.117 -0.274 0.000 1.009 527 I CA -0.734 60.421 61.300 -0.241 0.000 1.111 527 I CB 0.959 38.901 38.000 -0.096 0.000 1.262 527 I HN 0.337 nan 8.210 nan 0.000 0.443 528 Y N 4.250 124.635 120.300 0.141 0.000 2.387 528 Y HA 0.455 5.005 4.550 -0.000 0.000 0.336 528 Y C 0.101 175.985 175.900 -0.027 0.000 1.067 528 Y CA -0.925 57.182 58.100 0.013 0.000 1.114 528 Y CB 1.346 39.792 38.460 -0.022 0.000 1.208 528 Y HN 0.498 nan 8.280 nan 0.000 0.458 529 N N 1.467 120.135 118.700 -0.053 0.000 2.352 529 N HA 0.520 5.260 4.740 -0.000 0.000 0.291 529 N C -2.124 173.233 175.510 -0.256 0.000 1.040 529 N CA -0.448 52.602 53.050 -0.000 0.000 0.864 529 N CB 0.851 39.382 38.487 0.073 0.000 1.440 529 N HN 0.360 nan 8.380 nan 0.000 0.483 530 F N 1.508 121.598 119.950 0.233 0.000 2.458 530 F HA 0.457 4.984 4.527 -0.000 0.000 0.336 530 F C 0.730 176.574 175.800 0.074 0.000 1.114 530 F CA -0.813 57.278 58.000 0.152 0.000 0.987 530 F CB 1.488 40.537 39.000 0.081 0.000 1.130 530 F HN 0.291 nan 8.300 nan 0.000 0.458 531 R N 4.779 125.329 120.500 0.082 0.000 2.198 531 R HA 0.589 4.929 4.340 -0.000 0.000 0.339 531 R C -1.718 174.438 176.300 -0.240 0.000 1.020 531 R CA -0.334 55.519 56.100 -0.411 0.000 0.864 531 R CB 0.285 30.158 30.300 -0.712 0.000 1.105 531 R HN 0.791 nan 8.270 nan 0.000 0.463 532 L N 4.593 125.662 121.223 -0.257 0.000 2.366 532 L HA 0.254 4.594 4.340 -0.000 0.000 0.266 532 L C -0.542 176.245 176.870 -0.137 0.000 1.010 532 L CA -0.825 53.949 54.840 -0.110 0.000 0.879 532 L CB 1.626 43.678 42.059 -0.013 0.000 1.228 532 L HN 0.565 nan 8.230 nan 0.000 0.439 533 D N 4.338 124.671 120.400 -0.111 0.000 2.551 533 D HA 0.211 4.851 4.640 -0.000 0.000 0.223 533 D C -0.096 176.231 176.300 0.044 0.000 1.144 533 D CA -0.011 53.974 54.000 -0.024 0.000 1.025 533 D CB 0.180 41.009 40.800 0.049 0.000 1.085 533 D HN 0.311 nan 8.370 nan 0.000 0.506 534 L N 2.176 123.412 121.223 0.021 0.000 2.380 534 L HA 0.262 4.602 4.340 -0.000 0.000 0.273 534 L C 0.151 177.066 176.870 0.074 0.000 1.138 534 L CA -0.105 54.752 54.840 0.028 0.000 0.832 534 L CB 0.771 42.815 42.059 -0.025 0.000 1.124 534 L HN 0.138 nan 8.230 nan 0.000 0.454 535 D N 2.560 123.029 120.400 0.116 0.000 2.404 535 D HA 0.177 4.817 4.640 -0.000 0.000 0.267 535 D C -0.462 175.884 176.300 0.077 0.000 1.194 535 D CA -0.246 53.819 54.000 0.108 0.000 0.910 535 D CB 1.713 42.623 40.800 0.182 0.000 1.090 535 D HN 0.034 nan 8.370 nan 0.000 0.511 536 V N 2.798 122.764 119.914 0.088 0.000 2.393 536 V HA -0.016 4.104 4.120 -0.000 0.000 0.257 536 V C 1.025 177.247 176.094 0.213 0.000 1.040 536 V CA 0.122 62.535 62.300 0.188 0.000 1.097 536 V CB 0.016 31.979 31.823 0.233 0.000 1.101 536 V HN 0.572 nan 8.190 nan 0.000 0.479 537 D N 3.472 124.025 120.400 0.255 0.000 2.911 537 D HA -0.146 4.494 4.640 -0.000 0.000 0.227 537 D C 0.359 176.631 176.300 -0.046 0.000 1.164 537 D CA 1.759 55.812 54.000 0.088 0.000 0.782 537 D CB -0.943 39.827 40.800 -0.050 0.000 1.094 537 D HN 1.181 nan 8.370 nan 0.000 0.425 538 G N -1.168 107.589 108.800 -0.073 0.000 2.350 538 G HA2 0.158 4.118 3.960 -0.000 0.000 0.304 538 G HA3 0.158 4.118 3.960 -0.000 0.000 0.304 538 G C 0.128 174.980 174.900 -0.078 0.000 1.421 538 G CA 0.331 45.356 45.100 -0.125 0.000 0.934 538 G HN 0.102 nan 8.290 nan 0.000 0.632 539 E N -0.245 119.902 120.200 -0.088 0.000 2.028 539 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 539 E C 0.415 177.011 176.600 -0.007 0.000 0.988 539 E CA 0.674 57.049 56.400 -0.043 0.000 0.799 539 E CB -0.106 29.562 29.700 -0.054 0.000 0.755 539 E HN 0.388 nan 8.360 nan 0.000 0.447 540 N N 2.377 121.073 118.700 -0.007 0.000 2.405 540 N HA 0.087 4.827 4.740 -0.000 0.000 0.260 540 N C -0.832 174.690 175.510 0.021 0.000 1.152 540 N CA 0.188 53.245 53.050 0.012 0.000 0.948 540 N CB 0.675 39.167 38.487 0.008 0.000 1.111 540 N HN 0.196 nan 8.380 nan 0.000 0.485 541 N N 0.138 118.858 118.700 0.034 0.000 2.629 541 N HA 0.456 5.196 4.740 -0.000 0.000 0.279 541 N C -0.817 174.718 175.510 0.041 0.000 1.344 541 N CA -0.454 52.620 53.050 0.041 0.000 0.789 541 N CB 1.490 40.009 38.487 0.054 0.000 1.508 541 N HN 0.195 nan 8.380 nan 0.000 0.516 542 S N 0.264 115.987 115.700 0.038 0.000 2.546 542 S HA 0.445 4.915 4.470 -0.000 0.000 0.274 542 S C -1.195 173.418 174.600 0.021 0.000 1.121 542 S CA -0.569 57.650 58.200 0.031 0.000 0.887 542 S CB 1.954 65.168 63.200 0.023 0.000 1.094 542 S HN 0.419 nan 8.310 nan 0.000 0.474 543 L N 3.412 124.645 121.223 0.016 0.000 2.265 543 L HA 0.662 5.002 4.340 -0.000 0.000 0.288 543 L C -1.187 175.652 176.870 -0.051 0.000 1.058 543 L CA -0.029 54.808 54.840 -0.004 0.000 0.809 543 L CB 0.657 42.727 42.059 0.017 0.000 1.179 543 L HN 0.461 nan 8.230 nan 0.000 0.429 544 V N 5.197 125.053 119.914 -0.096 0.000 2.487 544 V HA 0.793 4.913 4.120 -0.000 0.000 0.298 544 V C 0.121 176.056 176.094 -0.265 0.000 1.028 544 V CA -0.580 61.619 62.300 -0.168 0.000 0.860 544 V CB 1.404 33.147 31.823 -0.134 0.000 0.991 544 V HN 0.958 nan 8.190 nan 0.000 0.427 545 A N 6.086 128.637 122.820 -0.449 0.000 2.306 545 A HA 0.929 5.249 4.320 -0.000 0.000 0.314 545 A C -0.408 176.897 177.584 -0.464 0.000 1.164 545 A CA -0.522 51.189 52.037 -0.544 0.000 0.822 545 A CB 0.832 19.259 19.000 -0.954 0.000 1.130 545 A HN 0.834 nan 8.150 nan 0.000 0.496 546 M N 2.912 122.343 119.600 -0.281 0.000 2.031 546 M HA 0.227 4.707 4.480 -0.000 0.000 0.273 546 M C -1.659 174.601 176.300 -0.067 0.000 0.904 546 M CA -0.446 54.761 55.300 -0.155 0.000 0.963 546 M CB 1.659 34.144 32.600 -0.192 0.000 1.707 546 M HN 0.570 nan 8.290 nan 0.000 0.427 547 D N 4.806 125.219 120.400 0.022 0.000 2.373 547 D HA 0.357 4.997 4.640 -0.000 0.000 0.227 547 D C -2.477 173.850 176.300 0.047 0.000 1.091 547 D CA -1.385 52.644 54.000 0.047 0.000 0.840 547 D CB 1.222 42.090 40.800 0.112 0.000 1.060 547 D HN 0.132 nan 8.370 nan 0.000 0.502 548 P HA 0.004 nan 4.420 nan 0.000 0.267 548 P C -0.421 176.897 177.300 0.031 0.000 1.209 548 P CA -0.153 62.969 63.100 0.037 0.000 0.763 548 P CB 0.777 32.498 31.700 0.035 0.000 0.816 549 V N 1.357 121.291 119.914 0.033 0.000 3.078 549 V HA 0.561 4.681 4.120 -0.000 0.000 0.311 549 V C -0.611 175.496 176.094 0.021 0.000 1.138 549 V CA -1.096 61.219 62.300 0.025 0.000 1.007 549 V CB 2.266 34.104 31.823 0.026 0.000 1.045 549 V HN 0.072 nan 8.190 nan 0.000 0.432 550 V N 2.823 122.746 119.914 0.015 0.000 2.364 550 V HA 0.502 4.622 4.120 -0.000 0.000 0.272 550 V C 0.215 176.315 176.094 0.011 0.000 1.036 550 V CA -0.298 62.010 62.300 0.013 0.000 0.880 550 V CB 0.713 32.542 31.823 0.010 0.000 0.991 550 V HN 0.957 nan 8.190 nan 0.000 0.460 551 K N 5.332 125.739 120.400 0.012 0.000 2.267 551 K HA 0.546 4.866 4.320 -0.000 0.000 0.246 551 K C -2.785 173.820 176.600 0.008 0.000 0.954 551 K CA -2.049 54.243 56.287 0.010 0.000 0.824 551 K CB 2.151 34.658 32.500 0.012 0.000 1.167 551 K HN 0.309 nan 8.250 nan 0.000 0.431 552 P HA -0.078 nan 4.420 nan 0.000 0.265 552 P C -0.912 176.391 177.300 0.006 0.000 1.193 552 P CA 0.010 63.113 63.100 0.005 0.000 0.765 552 P CB 0.338 32.040 31.700 0.003 0.000 0.823 553 N N 1.716 120.420 118.700 0.006 0.000 2.475 553 N HA 0.052 4.792 4.740 -0.000 0.000 0.267 553 N C 0.454 175.967 175.510 0.005 0.000 1.169 553 N CA 0.013 53.066 53.050 0.006 0.000 0.947 553 N CB 0.372 38.862 38.487 0.005 0.000 1.061 553 N HN 0.394 nan 8.380 nan 0.000 0.466 554 T N -0.019 114.538 114.554 0.005 0.000 3.091 554 T HA 0.289 4.639 4.350 -0.000 0.000 0.277 554 T C 0.949 175.651 174.700 0.004 0.000 0.996 554 T CA -0.171 61.932 62.100 0.005 0.000 0.897 554 T CB 0.481 69.352 68.868 0.005 0.000 1.109 554 T HN 0.421 nan 8.240 nan 0.000 0.534 555 A N 0.866 123.689 122.820 0.005 0.000 2.267 555 A HA 0.748 5.068 4.320 -0.000 0.000 0.213 555 A C 1.451 179.037 177.584 0.003 0.000 1.192 555 A CA 0.307 52.347 52.037 0.004 0.000 0.851 555 A CB -0.597 18.406 19.000 0.005 0.000 0.881 555 A HN 1.449 nan 8.150 nan 0.000 0.494 556 G N -2.151 106.651 108.800 0.003 0.000 2.710 556 G HA2 0.481 4.441 3.960 -0.000 0.000 0.668 556 G HA3 0.481 4.441 3.960 -0.000 0.000 0.668 556 G C 0.694 175.596 174.900 0.003 0.000 1.320 556 G CA -0.126 44.975 45.100 0.003 0.000 0.860 556 G HN 2.471 nan 8.290 nan 0.000 0.538 557 G N -1.477 107.324 108.800 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 -0.831 174.070 174.900 0.003 0.000 1.349 557 G CA 0.463 45.564 45.100 0.002 0.000 0.847 557 G HN 1.314 nan 8.290 nan 0.000 0.548 558 P HA -0.035 nan 4.420 nan 0.000 0.217 558 P C 1.054 178.356 177.300 0.003 0.000 1.148 558 P CA 0.758 63.860 63.100 0.003 0.000 0.828 558 P CB 0.083 31.784 31.700 0.003 0.000 0.783 559 R N 0.020 120.522 120.500 0.003 0.000 2.570 559 R HA 0.046 4.386 4.340 -0.000 0.000 0.277 559 R C 1.473 177.776 176.300 0.004 0.000 1.039 559 R CA 0.924 57.027 56.100 0.004 0.000 1.065 559 R CB -0.251 30.052 30.300 0.005 0.000 0.964 559 R HN 0.244 nan 8.270 nan 0.000 0.428 560 T N -2.337 112.219 114.554 0.004 0.000 3.040 560 T HA 0.032 4.382 4.350 -0.000 0.000 0.252 560 T C 0.887 175.590 174.700 0.005 0.000 1.064 560 T CA 0.340 62.443 62.100 0.004 0.000 1.110 560 T CB 0.223 69.093 68.868 0.003 0.000 0.921 560 T HN 0.529 nan 8.240 nan 0.000 0.480 561 S N 0.832 116.536 115.700 0.006 0.000 2.667 561 S HA 0.763 5.233 4.470 -0.000 0.000 0.292 561 S C -0.514 174.091 174.600 0.008 0.000 1.126 561 S CA -0.396 57.808 58.200 0.007 0.000 0.881 561 S CB 2.005 65.209 63.200 0.007 0.000 1.132 561 S HN 0.714 nan 8.310 nan 0.000 0.492 562 T N -1.896 112.665 114.554 0.010 0.000 2.841 562 T HA 0.676 5.026 4.350 -0.000 0.000 0.296 562 T C -0.882 173.827 174.700 0.015 0.000 1.166 562 T CA -0.985 61.122 62.100 0.012 0.000 1.007 562 T CB 1.210 70.086 68.868 0.013 0.000 1.253 562 T HN 0.660 nan 8.240 nan 0.000 0.511 563 M N 1.994 121.605 119.600 0.018 0.000 2.066 563 M HA 0.429 4.909 4.480 -0.000 0.000 0.340 563 M C -0.423 175.894 176.300 0.029 0.000 1.053 563 M CA -0.462 54.852 55.300 0.023 0.000 0.983 563 M CB 1.460 34.075 32.600 0.025 0.000 1.520 563 M HN 0.617 nan 8.290 nan 0.000 0.428 564 Q N 1.441 121.260 119.800 0.031 0.000 2.552 564 Q HA 0.793 5.133 4.340 -0.000 0.000 0.289 564 Q C -1.208 174.820 176.000 0.045 0.000 1.097 564 Q CA -1.113 54.712 55.803 0.037 0.000 0.812 564 Q CB 3.363 32.120 28.738 0.032 0.000 1.460 564 Q HN 0.462 nan 8.270 nan 0.000 0.452 565 V N 1.359 121.305 119.914 0.053 0.000 2.555 565 V HA 0.312 4.432 4.120 -0.000 0.000 0.302 565 V C -0.574 175.561 176.094 0.069 0.000 1.038 565 V CA -0.877 61.459 62.300 0.061 0.000 0.887 565 V CB 1.801 33.665 31.823 0.068 0.000 0.991 565 V HN 0.647 nan 8.190 nan 0.000 0.434 566 N N 3.962 122.715 118.700 0.088 0.000 2.500 566 N HA 0.226 4.966 4.740 -0.000 0.000 0.236 566 N C -0.644 174.987 175.510 0.203 0.000 1.022 566 N CA -0.100 53.032 53.050 0.136 0.000 0.935 566 N CB 1.347 39.919 38.487 0.141 0.000 1.147 566 N HN 0.829 nan 8.380 nan 0.000 0.512 567 Q N 3.773 123.676 119.800 0.171 0.000 2.282 567 Q HA 0.359 4.699 4.340 -0.000 0.000 0.260 567 Q C -1.577 174.561 176.000 0.231 0.000 0.964 567 Q CA -0.693 55.176 55.803 0.110 0.000 0.880 567 Q CB 0.970 29.729 28.738 0.035 0.000 1.286 567 Q HN 0.574 nan 8.270 nan 0.000 0.445 568 Y N 0.147 120.442 120.300 -0.008 0.000 2.604 568 Y HA 0.492 5.042 4.550 -0.000 0.000 0.331 568 Y C -1.608 174.291 175.900 -0.002 0.000 1.158 568 Y CA -1.503 56.596 58.100 -0.002 0.000 1.056 568 Y CB 0.579 39.038 38.460 -0.001 0.000 1.330 568 Y HN 0.528 nan 8.280 nan 0.000 0.457 569 N N 1.428 120.181 118.700 0.088 0.000 2.513 569 N HA 0.533 5.273 4.740 -0.000 0.000 0.274 569 N C -1.117 174.441 175.510 0.080 0.000 1.189 569 N CA -0.412 52.650 53.050 0.020 0.000 0.975 569 N CB 1.081 39.592 38.487 0.040 0.000 1.157 569 N HN 0.704 nan 8.380 nan 0.000 0.465 570 I N 0.860 121.447 120.570 0.029 0.000 2.371 570 I HA 0.255 4.425 4.170 -0.000 0.000 0.282 570 I C 1.192 177.342 176.117 0.055 0.000 1.031 570 I CA -0.405 60.933 61.300 0.064 0.000 1.180 570 I CB 1.291 39.310 38.000 0.033 0.000 1.336 570 I HN 0.704 nan 8.210 nan 0.000 0.467 571 G N 5.568 114.407 108.800 0.065 0.000 2.813 571 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.209 571 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.209 571 G C 0.346 175.280 174.900 0.056 0.000 1.150 571 G CA -0.030 45.103 45.100 0.056 0.000 0.785 571 G HN 0.746 nan 8.290 nan 0.000 0.535 572 N N -1.935 116.800 118.700 0.058 0.000 2.610 572 N HA 0.213 4.953 4.740 -0.000 0.000 0.264 572 N C 0.155 175.704 175.510 0.065 0.000 1.348 572 N CA -0.677 52.409 53.050 0.060 0.000 0.819 572 N CB 1.233 39.753 38.487 0.054 0.000 1.521 572 N HN -0.076 nan 8.380 nan 0.000 0.497 573 E N 0.034 120.280 120.200 0.078 0.000 2.097 573 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 573 E C 1.231 177.876 176.600 0.075 0.000 1.000 573 E CA 1.529 57.988 56.400 0.097 0.000 0.804 573 E CB -0.022 29.749 29.700 0.118 0.000 0.740 573 E HN 0.521 nan 8.360 nan 0.000 0.454 574 Q N 0.707 120.540 119.800 0.055 0.000 2.079 574 Q HA -0.148 4.192 4.340 -0.000 0.000 0.200 574 Q C 1.695 177.687 176.000 -0.013 0.000 0.974 574 Q CA 1.093 56.910 55.803 0.022 0.000 0.840 574 Q CB -0.162 28.593 28.738 0.028 0.000 0.898 574 Q HN 0.363 nan 8.270 nan 0.000 0.430 575 D N 0.321 120.728 120.400 0.011 0.000 2.224 575 D HA -0.033 4.607 4.640 -0.000 0.000 0.205 575 D C 1.568 177.867 176.300 -0.001 0.000 0.965 575 D CA 0.957 54.964 54.000 0.011 0.000 0.852 575 D CB 0.130 40.955 40.800 0.043 0.000 0.947 575 D HN 0.195 nan 8.370 nan 0.000 0.494 576 A N 0.846 123.670 122.820 0.007 0.000 2.066 576 A HA 0.194 4.514 4.320 -0.000 0.000 0.218 576 A C 1.453 178.991 177.584 -0.078 0.000 1.157 576 A CA 0.668 52.711 52.037 0.011 0.000 0.670 576 A CB -0.107 18.936 19.000 0.070 0.000 0.804 576 A HN 0.157 nan 8.150 nan 0.000 0.453 577 A N 0.957 123.660 122.820 -0.195 0.000 2.437 577 A HA 0.516 4.836 4.320 -0.000 0.000 0.303 577 A C 0.122 177.431 177.584 -0.459 0.000 1.324 577 A CA -0.221 51.462 52.037 -0.589 0.000 0.983 577 A CB -0.523 18.015 19.000 -0.770 0.000 1.142 577 A HN 0.680 nan 8.150 nan 0.000 0.541 578 Q N 1.691 121.263 119.800 -0.381 0.000 2.565 578 Q HA 0.550 4.889 4.340 -0.000 0.000 0.294 578 Q C -1.169 174.775 176.000 -0.093 0.000 1.005 578 Q CA -1.352 54.340 55.803 -0.184 0.000 0.771 578 Q CB 1.066 29.767 28.738 -0.062 0.000 1.486 578 Q HN 0.296 nan 8.270 nan 0.000 0.422 579 K N 0.719 121.105 120.400 -0.022 0.000 2.202 579 K HA 0.322 4.642 4.320 -0.000 0.000 0.264 579 K C -1.035 175.646 176.600 0.136 0.000 1.010 579 K CA -0.196 56.119 56.287 0.047 0.000 0.940 579 K CB 0.452 32.965 32.500 0.021 0.000 0.983 579 K HN 0.600 nan 8.250 nan 0.000 0.475 580 F N 2.230 122.197 119.950 0.027 0.000 2.411 580 F HA 0.142 4.669 4.527 -0.000 0.000 0.352 580 F C -0.083 175.752 175.800 0.058 0.000 1.123 580 F CA -1.243 56.788 58.000 0.052 0.000 1.044 580 F CB 0.937 39.995 39.000 0.097 0.000 1.135 580 F HN 0.345 nan 8.300 nan 0.000 0.461 581 D N 8.794 128.803 120.400 -0.650 0.000 2.359 581 D HA 0.235 4.875 4.640 -0.000 0.000 0.230 581 D C -1.825 173.857 176.300 -1.030 0.000 1.118 581 D CA -2.325 51.341 54.000 -0.556 0.000 0.844 581 D CB 1.858 42.482 40.800 -0.293 0.000 1.059 581 D HN 0.335 nan 8.370 nan 0.000 0.493 582 P HA -0.029 nan 4.420 nan 0.000 0.236 582 P C 0.950 178.144 177.300 -0.175 0.000 1.172 582 P CA 0.365 63.235 63.100 -0.384 0.000 0.759 582 P CB 0.273 32.069 31.700 0.160 0.000 0.843 583 G N -0.421 108.257 108.800 -0.203 0.000 2.986 583 G HA2 0.048 4.008 3.960 -0.000 0.000 0.213 583 G HA3 0.048 4.008 3.960 -0.000 0.000 0.213 583 G C 0.656 175.505 174.900 -0.085 0.000 1.156 583 G CA 0.354 45.402 45.100 -0.087 0.000 0.763 583 G HN 0.410 nan 8.290 nan 0.000 0.547 584 T N -1.589 112.864 114.554 -0.169 0.000 2.937 584 T HA 0.737 5.087 4.350 -0.000 0.000 0.283 584 T C -0.400 174.281 174.700 -0.032 0.000 1.012 584 T CA -0.820 61.221 62.100 -0.097 0.000 0.997 584 T CB 2.234 71.037 68.868 -0.108 0.000 1.136 584 T HN -0.070 nan 8.240 nan 0.000 0.551 585 I N 0.855 121.401 120.570 -0.040 0.000 2.509 585 I HA 0.533 4.703 4.170 -0.000 0.000 0.293 585 I C -0.180 175.874 176.117 -0.104 0.000 1.020 585 I CA -1.126 60.123 61.300 -0.084 0.000 1.088 585 I CB 1.832 39.660 38.000 -0.287 0.000 1.267 585 I HN 0.388 nan 8.210 nan 0.000 0.430 586 R N 6.896 127.364 120.500 -0.053 0.000 2.502 586 R HA 0.654 4.994 4.340 -0.000 0.000 0.300 586 R C -1.372 174.849 176.300 -0.133 0.000 0.984 586 R CA -0.704 55.355 56.100 -0.069 0.000 0.882 586 R CB 2.006 32.347 30.300 0.068 0.000 1.180 586 R HN 0.561 nan 8.270 nan 0.000 0.444 587 L N 3.066 124.180 121.223 -0.182 0.000 2.342 587 L HA 0.558 4.898 4.340 -0.000 0.000 0.271 587 L C -0.457 176.379 176.870 -0.056 0.000 1.008 587 L CA -1.314 53.433 54.840 -0.155 0.000 0.818 587 L CB 1.877 43.769 42.059 -0.280 0.000 1.296 587 L HN 0.238 nan 8.230 nan 0.000 0.427 588 L N 1.917 123.149 121.223 0.016 0.000 2.277 588 L HA 0.475 4.815 4.340 -0.000 0.000 0.284 588 L C -0.305 176.612 176.870 0.079 0.000 1.028 588 L CA 0.399 55.269 54.840 0.050 0.000 0.835 588 L CB 1.109 43.214 42.059 0.076 0.000 1.215 588 L HN 0.539 nan 8.230 nan 0.000 0.425 589 S N 3.361 119.092 115.700 0.051 0.000 2.690 589 S HA 0.490 4.960 4.470 -0.000 0.000 0.291 589 S C -0.391 174.248 174.600 0.065 0.000 1.138 589 S CA -0.718 57.522 58.200 0.068 0.000 1.013 589 S CB 1.288 64.509 63.200 0.034 0.000 1.053 589 S HN 0.631 nan 8.310 nan 0.000 0.539 590 N N 2.459 121.198 118.700 0.066 0.000 2.621 590 N HA 0.262 5.002 4.740 -0.000 0.000 0.237 590 N C -2.013 173.508 175.510 0.019 0.000 0.997 590 N CA -2.117 50.956 53.050 0.040 0.000 0.918 590 N CB 1.252 39.759 38.487 0.034 0.000 1.122 590 N HN 0.247 nan 8.380 nan 0.000 0.510 591 P HA -0.041 nan 4.420 nan 0.000 0.231 591 P C 0.061 177.361 177.300 0.001 0.000 1.158 591 P CA 0.754 63.860 63.100 0.011 0.000 0.763 591 P CB 0.532 32.240 31.700 0.014 0.000 0.805 592 N N -0.206 118.490 118.700 -0.007 0.000 2.325 592 N HA 0.079 4.819 4.740 -0.000 0.000 0.182 592 N C 0.430 175.921 175.510 -0.031 0.000 1.088 592 N CA 0.410 53.450 53.050 -0.017 0.000 0.879 592 N CB 0.642 39.117 38.487 -0.019 0.000 0.983 592 N HN 0.329 nan 8.380 nan 0.000 0.471 593 K N 0.776 121.153 120.400 -0.039 0.000 2.469 593 K HA 0.410 4.730 4.320 -0.000 0.000 0.254 593 K C -0.740 175.821 176.600 -0.065 0.000 0.939 593 K CA -0.514 55.734 56.287 -0.065 0.000 0.812 593 K CB 2.507 34.946 32.500 -0.100 0.000 1.301 593 K HN -0.027 nan 8.250 nan 0.000 0.433 594 E N 0.873 121.029 120.200 -0.074 0.000 2.392 594 E HA 0.189 4.539 4.350 -0.000 0.000 0.269 594 E C -0.953 175.592 176.600 -0.091 0.000 0.924 594 E CA -1.010 55.352 56.400 -0.064 0.000 0.784 594 E CB 1.980 31.658 29.700 -0.036 0.000 1.292 594 E HN 0.682 nan 8.360 nan 0.000 0.447 595 N N -0.037 118.615 118.700 -0.080 0.000 2.418 595 N HA 0.164 4.904 4.740 -0.000 0.000 0.283 595 N C 0.853 176.329 175.510 -0.056 0.000 1.267 595 N CA -0.793 52.205 53.050 -0.088 0.000 0.975 595 N CB 1.125 39.564 38.487 -0.079 0.000 1.167 595 N HN 0.379 nan 8.380 nan 0.000 0.581 596 R N -0.972 119.500 120.500 -0.047 0.000 2.200 596 R HA -0.074 4.266 4.340 -0.000 0.000 0.234 596 R C 0.776 177.058 176.300 -0.029 0.000 1.127 596 R CA 1.484 57.563 56.100 -0.035 0.000 0.989 596 R CB -0.150 30.133 30.300 -0.029 0.000 0.869 596 R HN 0.611 nan 8.270 nan 0.000 0.459 597 M N -0.817 118.766 119.600 -0.028 0.000 2.431 597 M HA 0.275 4.755 4.480 -0.000 0.000 0.237 597 M C 0.838 177.130 176.300 -0.014 0.000 1.130 597 M CA 0.596 55.883 55.300 -0.021 0.000 1.002 597 M CB 1.249 33.834 32.600 -0.024 0.000 1.524 597 M HN 0.338 nan 8.290 nan 0.000 0.482 598 G N 0.491 109.282 108.800 -0.016 0.000 2.143 598 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.249 598 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.249 598 G C -0.018 174.884 174.900 0.002 0.000 0.981 598 G CA -0.050 45.044 45.100 -0.009 0.000 0.665 598 G HN 0.523 nan 8.290 nan 0.000 0.528 599 N N 1.270 119.974 118.700 0.006 0.000 2.479 599 N HA 0.512 5.252 4.740 -0.000 0.000 0.285 599 N C -2.741 172.786 175.510 0.029 0.000 1.075 599 N CA -1.698 51.373 53.050 0.034 0.000 0.967 599 N CB 1.415 39.936 38.487 0.057 0.000 1.137 599 N HN -0.006 nan 8.380 nan 0.000 0.472 600 P HA -0.046 nan 4.420 nan 0.000 0.267 600 P C -0.513 176.822 177.300 0.058 0.000 1.209 600 P CA -0.298 62.823 63.100 0.035 0.000 0.763 600 P CB 0.449 32.174 31.700 0.042 0.000 0.816 601 V N 1.912 121.830 119.914 0.006 0.000 2.540 601 V HA 0.327 4.447 4.120 -0.000 0.000 0.297 601 V C 0.051 176.254 176.094 0.181 0.000 1.024 601 V CA 0.483 62.790 62.300 0.013 0.000 1.105 601 V CB -0.236 31.453 31.823 -0.223 0.000 0.938 601 V HN 0.461 nan 8.190 nan 0.000 0.482 602 S N 3.158 119.031 115.700 0.288 0.000 2.685 602 S HA 0.775 5.245 4.470 -0.000 0.000 0.282 602 S C -1.435 173.327 174.600 0.269 0.000 1.159 602 S CA -0.532 57.838 58.200 0.283 0.000 0.833 602 S CB 1.753 65.063 63.200 0.183 0.000 1.151 602 S HN 0.751 nan 8.310 nan 0.000 0.485 603 Y N 1.426 121.791 120.300 0.108 0.000 2.406 603 Y HA 0.413 4.963 4.550 0.000 0.000 0.340 603 Y C -0.133 175.787 175.900 0.033 0.000 0.975 603 Y CA -0.463 57.668 58.100 0.053 0.000 1.056 603 Y CB 1.782 40.225 38.460 -0.027 0.000 1.210 603 Y HN 0.612 nan 8.280 nan 0.000 0.448 604 Q N 4.666 124.527 119.800 0.102 0.000 2.279 604 Q HA 0.465 4.805 4.340 -0.000 0.000 0.256 604 Q C -1.197 174.833 176.000 0.050 0.000 0.937 604 Q CA -0.306 55.521 55.803 0.041 0.000 0.933 604 Q CB 0.610 29.419 28.738 0.118 0.000 1.189 604 Q HN 0.676 nan 8.270 nan 0.000 0.417 605 I N 5.992 126.559 120.570 -0.005 0.000 2.304 605 I HA 0.265 4.435 4.170 -0.000 0.000 0.291 605 I C -0.282 175.726 176.117 -0.183 0.000 1.018 605 I CA -0.368 60.899 61.300 -0.055 0.000 1.260 605 I CB 0.876 38.846 38.000 -0.049 0.000 1.390 605 I HN 0.566 nan 8.210 nan 0.000 0.475 606 I N 8.577 129.020 120.570 -0.211 0.000 2.537 606 I HA 0.242 4.412 4.170 -0.000 0.000 0.276 606 I C -1.898 174.010 176.117 -0.348 0.000 1.063 606 I CA -1.488 59.607 61.300 -0.342 0.000 1.144 606 I CB 1.412 39.372 38.000 -0.068 0.000 1.252 606 I HN 0.332 nan 8.210 nan 0.000 0.480 607 P HA -0.157 nan 4.420 nan 0.000 0.220 607 P C -0.361 176.997 177.300 0.097 0.000 1.148 607 P CA 1.232 64.222 63.100 -0.184 0.000 0.803 607 P CB 0.041 31.614 31.700 -0.211 0.000 0.782 608 Y N -0.611 119.695 120.300 0.010 0.000 2.402 608 Y HA 0.615 5.165 4.550 -0.000 0.000 0.325 608 Y C 0.095 176.130 175.900 0.226 0.000 1.009 608 Y CA -1.381 56.843 58.100 0.208 0.000 1.278 608 Y CB 0.669 39.329 38.460 0.334 0.000 1.105 608 Y HN -0.189 nan 8.280 nan 0.000 0.476 609 A N 3.511 126.156 122.820 -0.291 0.000 2.470 609 A HA 0.745 5.065 4.320 -0.000 0.000 0.251 609 A C 0.752 178.111 177.584 -0.375 0.000 1.245 609 A CA 0.371 52.248 52.037 -0.268 0.000 0.932 609 A CB -0.395 18.548 19.000 -0.095 0.000 1.037 609 A HN 1.443 nan 8.150 nan 0.000 0.522 610 G N -2.511 105.867 108.800 -0.705 0.000 2.351 610 G HA2 0.546 4.506 3.960 -0.000 0.000 0.353 610 G HA3 0.546 4.506 3.960 -0.000 0.000 0.353 610 G C -0.393 174.570 174.900 0.105 0.000 1.358 610 G CA -0.065 44.866 45.100 -0.282 0.000 0.995 610 G HN 1.796 nan 8.290 nan 0.000 0.611 611 G N -2.124 106.821 108.800 0.242 0.000 2.442 611 G HA2 0.656 4.616 3.960 -0.000 0.000 0.296 611 G HA3 0.656 4.616 3.960 -0.000 0.000 0.296 611 G C 0.399 175.421 174.900 0.204 0.000 1.564 611 G CA 0.913 46.148 45.100 0.225 0.000 0.828 611 G HN 1.900 nan 8.290 nan 0.000 0.571 612 T N -2.383 112.257 114.554 0.143 0.000 3.086 612 T HA 0.298 4.648 4.350 -0.000 0.000 0.250 612 T C 0.637 175.409 174.700 0.121 0.000 1.074 612 T CA 0.569 62.732 62.100 0.106 0.000 0.988 612 T CB -0.081 68.820 68.868 0.055 0.000 0.988 612 T HN 0.562 nan 8.240 nan 0.000 0.530 613 H N 0.919 120.021 119.070 0.054 0.000 2.710 613 H HA 0.445 5.001 4.556 -0.000 0.000 0.361 613 H C -2.546 172.814 175.328 0.052 0.000 1.175 613 H CA -2.808 53.249 56.048 0.016 0.000 1.206 613 H CB 1.644 31.378 29.762 -0.046 0.000 1.750 613 H HN 0.037 nan 8.280 nan 0.000 0.553 614 P HA -0.071 nan 4.420 nan 0.000 0.265 614 P C -0.840 176.493 177.300 0.054 0.000 1.187 614 P CA 0.029 63.161 63.100 0.053 0.000 0.766 614 P CB 0.583 32.272 31.700 -0.019 0.000 0.820 615 V N 2.097 122.026 119.914 0.025 0.000 2.732 615 V HA 0.400 4.520 4.120 -0.000 0.000 0.297 615 V C 0.636 176.693 176.094 -0.061 0.000 1.060 615 V CA -0.438 61.840 62.300 -0.036 0.000 1.038 615 V CB 0.874 32.552 31.823 -0.242 0.000 1.003 615 V HN 0.632 nan 8.190 nan 0.000 0.481 616 A N 3.449 126.244 122.820 -0.042 0.000 2.260 616 A HA 0.415 4.735 4.320 -0.000 0.000 0.312 616 A C 0.929 178.487 177.584 -0.042 0.000 1.321 616 A CA -0.525 51.490 52.037 -0.036 0.000 0.928 616 A CB 0.135 19.130 19.000 -0.008 0.000 1.158 616 A HN 0.926 nan 8.150 nan 0.000 0.542 617 K N 1.776 122.148 120.400 -0.048 0.000 2.288 617 K HA 0.168 4.487 4.320 -0.000 0.000 0.201 617 K C 1.001 177.607 176.600 0.009 0.000 1.048 617 K CA 0.977 57.244 56.287 -0.034 0.000 0.956 617 K CB 0.199 32.677 32.500 -0.037 0.000 0.746 617 K HN 0.868 nan 8.250 nan 0.000 0.461 618 G N -0.135 108.675 108.800 0.017 0.000 2.428 618 G HA2 0.440 4.400 3.960 -0.000 0.000 0.305 618 G HA3 0.440 4.400 3.960 -0.000 0.000 0.305 618 G C -1.793 173.138 174.900 0.053 0.000 1.260 618 G CA -0.486 44.642 45.100 0.047 0.000 0.853 618 G HN 0.065 nan 8.290 nan 0.000 0.480 619 A N 0.038 122.926 122.820 0.112 0.000 2.409 619 A HA 0.557 4.877 4.320 -0.000 0.000 0.267 619 A C 0.371 178.060 177.584 0.175 0.000 1.127 619 A CA -0.140 52.023 52.037 0.210 0.000 0.795 619 A CB 0.362 19.552 19.000 0.317 0.000 1.061 619 A HN 0.370 nan 8.150 nan 0.000 0.502 620 Q N 2.145 121.909 119.800 -0.061 0.000 3.254 620 Q HA 0.276 4.616 4.340 -0.000 0.000 0.315 620 Q C -1.503 174.119 176.000 -0.629 0.000 1.405 620 Q CA 0.673 56.297 55.803 -0.299 0.000 0.966 620 Q CB -0.779 27.732 28.738 -0.379 0.000 1.706 620 Q HN 0.574 nan 8.270 nan 0.000 0.525 621 F N -0.732 119.264 119.950 0.076 0.000 2.619 621 F HA 0.500 5.027 4.527 -0.000 0.000 0.308 621 F C 0.073 175.859 175.800 -0.023 0.000 1.097 621 F CA -1.328 56.716 58.000 0.073 0.000 0.953 621 F CB 1.078 40.177 39.000 0.166 0.000 1.287 621 F HN 0.061 nan 8.300 nan 0.000 0.446 622 A N 3.301 126.182 122.820 0.103 0.000 2.407 622 A HA 0.382 4.702 4.320 -0.000 0.000 0.248 622 A C -1.583 175.805 177.584 -0.326 0.000 1.082 622 A CA -1.086 50.898 52.037 -0.088 0.000 0.785 622 A CB -0.200 18.772 19.000 -0.047 0.000 1.020 622 A HN 0.586 nan 8.150 nan 0.000 0.489 623 P HA -0.154 nan 4.420 nan 0.000 0.229 623 P C 0.089 177.090 177.300 -0.499 0.000 1.150 623 P CA 1.397 63.862 63.100 -1.059 0.000 0.765 623 P CB 0.072 31.387 31.700 -0.643 0.000 0.783 624 D N -1.929 118.301 120.400 -0.283 0.000 2.369 624 D HA 0.012 4.652 4.640 -0.000 0.000 0.211 624 D C 0.422 176.618 176.300 -0.174 0.000 1.077 624 D CA 0.031 53.904 54.000 -0.212 0.000 0.842 624 D CB -0.290 40.418 40.800 -0.153 0.000 0.947 624 D HN 0.052 nan 8.370 nan 0.000 0.509 625 E N 0.044 120.207 120.200 -0.062 0.000 2.383 625 E HA -0.000 4.350 4.350 -0.000 0.000 0.264 625 E C 0.217 176.836 176.600 0.032 0.000 1.050 625 E CA -0.303 56.139 56.400 0.070 0.000 0.896 625 E CB 0.814 30.620 29.700 0.177 0.000 0.982 625 E HN 0.264 nan 8.360 nan 0.000 0.424 626 W N 1.993 123.319 121.300 0.042 0.000 2.402 626 W HA -0.057 4.603 4.660 -0.000 0.000 0.286 626 W C 2.154 178.655 176.519 -0.029 0.000 1.221 626 W CA 0.166 57.511 57.345 -0.000 0.000 1.257 626 W CB -0.115 29.238 29.460 -0.177 0.000 1.120 626 W HN 0.596 nan 8.180 nan 0.000 0.551 627 I N -0.535 120.065 120.570 0.050 0.000 2.286 627 I HA -0.362 3.808 4.170 -0.000 0.000 0.248 627 I C 2.397 178.450 176.117 -0.105 0.000 1.115 627 I CA 1.504 62.735 61.300 -0.116 0.000 1.392 627 I CB -0.307 37.462 38.000 -0.386 0.000 1.065 627 I HN 0.043 nan 8.210 nan 0.000 0.418 628 Y N 0.746 120.935 120.300 -0.185 0.000 2.181 628 Y HA -0.345 4.205 4.550 -0.000 0.000 0.288 628 Y C 2.584 178.469 175.900 -0.025 0.000 1.146 628 Y CA 2.372 60.410 58.100 -0.103 0.000 1.164 628 Y CB -0.621 37.824 38.460 -0.026 0.000 0.982 628 Y HN 0.373 nan 8.280 nan 0.000 0.515 629 H N -0.070 119.084 119.070 0.140 0.000 2.389 629 H HA -0.013 4.543 4.556 -0.000 0.000 0.299 629 H C 2.150 177.506 175.328 0.046 0.000 1.081 629 H CA 1.884 57.971 56.048 0.064 0.000 1.345 629 H CB 0.008 29.703 29.762 -0.111 0.000 1.393 629 H HN 0.251 nan 8.280 nan 0.000 0.520 630 R N -0.464 120.066 120.500 0.050 0.000 2.119 630 R HA 0.120 4.460 4.340 -0.000 0.000 0.222 630 R C 0.087 176.338 176.300 -0.080 0.000 1.088 630 R CA 0.827 56.921 56.100 -0.009 0.000 0.984 630 R CB 0.355 30.709 30.300 0.090 0.000 0.884 630 R HN 0.242 nan 8.270 nan 0.000 0.447 631 L N 0.789 121.942 121.223 -0.117 0.000 2.445 631 L HA 0.276 4.616 4.340 -0.000 0.000 0.252 631 L C 0.480 177.188 176.870 -0.269 0.000 1.105 631 L CA -0.311 54.467 54.840 -0.104 0.000 0.943 631 L CB 1.866 43.861 42.059 -0.107 0.000 1.277 631 L HN 0.009 nan 8.230 nan 0.000 0.465 632 S N 1.121 116.710 115.700 -0.185 0.000 2.399 632 S HA -0.198 4.272 4.470 -0.000 0.000 0.231 632 S C 1.736 176.340 174.600 0.007 0.000 1.022 632 S CA 1.485 59.602 58.200 -0.138 0.000 0.983 632 S CB -0.224 62.992 63.200 0.028 0.000 0.803 632 S HN 0.743 nan 8.310 nan 0.000 0.480 633 F N 1.545 121.346 119.950 -0.247 0.000 2.307 633 F HA -0.027 4.500 4.527 -0.000 0.000 0.301 633 F C 1.782 177.644 175.800 0.103 0.000 1.076 633 F CA 0.758 58.631 58.000 -0.211 0.000 1.383 633 F CB -1.004 37.686 39.000 -0.516 0.000 1.055 633 F HN 0.096 nan 8.300 nan 0.000 0.526 634 M N 0.315 119.431 119.600 -0.807 0.000 2.296 634 M HA -0.133 4.347 4.480 -0.000 0.000 0.265 634 M C 1.092 177.301 176.300 -0.150 0.000 1.064 634 M CA 1.815 56.767 55.300 -0.579 0.000 1.109 634 M CB -0.519 31.743 32.600 -0.563 0.000 1.396 634 M HN 0.144 nan 8.290 nan 0.000 0.430 635 D N 0.349 120.703 120.400 -0.078 0.000 2.339 635 D HA 0.056 4.696 4.640 -0.000 0.000 0.217 635 D C -0.234 176.114 176.300 0.080 0.000 1.050 635 D CA 0.450 54.459 54.000 0.015 0.000 0.856 635 D CB 0.542 41.316 40.800 -0.044 0.000 0.922 635 D HN -0.085 nan 8.370 nan 0.000 0.518 636 K N 0.182 120.691 120.400 0.182 0.000 2.468 636 K HA 0.270 4.590 4.320 -0.000 0.000 0.252 636 K C 0.023 176.773 176.600 0.250 0.000 0.932 636 K CA -0.461 55.866 56.287 0.068 0.000 0.794 636 K CB 1.832 34.096 32.500 -0.392 0.000 1.241 636 K HN -0.177 nan 8.250 nan 0.000 0.428 637 Q N 0.370 120.275 119.800 0.176 0.000 2.398 637 Q HA 0.149 4.489 4.340 -0.000 0.000 0.204 637 Q C -0.080 176.088 176.000 0.280 0.000 0.932 637 Q CA 0.334 56.297 55.803 0.267 0.000 0.916 637 Q CB 0.271 29.169 28.738 0.267 0.000 1.024 637 Q HN 0.344 nan 8.270 nan 0.000 0.504 638 L N -0.339 120.978 121.223 0.156 0.000 2.408 638 L HA 0.614 4.954 4.340 -0.000 0.000 0.268 638 L C -2.073 174.818 176.870 0.035 0.000 0.986 638 L CA -0.493 54.452 54.840 0.175 0.000 0.820 638 L CB 1.280 43.403 42.059 0.106 0.000 1.303 638 L HN -0.002 nan 8.230 nan 0.000 0.411 639 W N 4.029 125.452 121.300 0.204 0.000 3.127 639 W HA 0.773 5.433 4.660 -0.000 0.000 0.330 639 W C -1.336 175.358 176.519 0.293 0.000 1.187 639 W CA -0.761 56.698 57.345 0.190 0.000 1.198 639 W CB 2.258 31.782 29.460 0.107 0.000 1.408 639 W HN 0.272 nan 8.180 nan 0.000 0.529 640 V N 2.524 122.706 119.914 0.447 0.000 2.567 640 V HA 0.662 4.782 4.120 -0.000 0.000 0.298 640 V C -0.194 176.092 176.094 0.320 0.000 1.047 640 V CA -0.791 61.733 62.300 0.374 0.000 0.880 640 V CB 1.402 33.355 31.823 0.217 0.000 1.009 640 V HN 0.591 nan 8.190 nan 0.000 0.429 641 T N 1.516 116.289 114.554 0.365 0.000 2.926 641 T HA 0.785 5.135 4.350 -0.000 0.000 0.289 641 T C -0.368 174.398 174.700 0.110 0.000 1.054 641 T CA -0.955 61.281 62.100 0.227 0.000 1.015 641 T CB 2.127 71.146 68.868 0.252 0.000 1.167 641 T HN 0.516 nan 8.240 nan 0.000 0.526 642 R N 0.380 120.846 120.500 -0.057 0.000 2.490 642 R HA 0.318 4.657 4.340 -0.000 0.000 0.280 642 R C -0.854 175.275 176.300 -0.284 0.000 1.077 642 R CA -0.758 55.258 56.100 -0.141 0.000 1.065 642 R CB -0.378 29.803 30.300 -0.199 0.000 1.003 642 R HN 0.741 nan 8.270 nan 0.000 0.470 643 Y N 4.168 124.378 120.300 -0.150 0.000 2.721 643 Y HA 0.045 4.595 4.550 -0.000 0.000 0.329 643 Y C -0.802 175.097 175.900 -0.002 0.000 1.211 643 Y CA 0.862 58.913 58.100 -0.081 0.000 1.512 643 Y CB 0.095 38.548 38.460 -0.011 0.000 1.249 643 Y HN 0.668 nan 8.280 nan 0.000 0.549 644 H N 7.050 125.630 119.070 -0.816 0.000 3.017 644 H HA 0.187 4.743 4.556 -0.000 0.000 0.340 644 H C -2.042 172.821 175.328 -0.774 0.000 1.014 644 H CA -2.123 53.501 56.048 -0.708 0.000 1.341 644 H CB 1.857 31.415 29.762 -0.340 0.000 1.739 644 H HN 0.445 nan 8.280 nan 0.000 0.506 645 P HA -0.132 nan 4.420 nan 0.000 0.219 645 P C 1.392 178.579 177.300 -0.188 0.000 1.146 645 P CA 1.226 64.151 63.100 -0.291 0.000 0.808 645 P CB 0.302 31.919 31.700 -0.139 0.000 0.779 646 G N -1.160 107.531 108.800 -0.181 0.000 3.233 646 G HA2 0.011 3.971 3.960 -0.000 0.000 0.234 646 G HA3 0.011 3.971 3.960 -0.000 0.000 0.234 646 G C 0.034 174.824 174.900 -0.183 0.000 1.137 646 G CA -0.113 44.906 45.100 -0.135 0.000 0.763 646 G HN 0.252 nan 8.290 nan 0.000 0.549 647 E N 0.611 120.622 120.200 -0.316 0.000 2.063 647 E HA 0.382 4.732 4.350 -0.000 0.000 0.265 647 E C 0.213 176.560 176.600 -0.421 0.000 0.919 647 E CA -0.379 55.633 56.400 -0.647 0.000 0.756 647 E CB 1.109 30.134 29.700 -1.126 0.000 1.120 647 E HN 0.220 nan 8.360 nan 0.000 0.414 648 R N 1.596 121.828 120.500 -0.446 0.000 2.521 648 R HA 0.203 4.543 4.340 -0.000 0.000 0.289 648 R C -0.433 175.533 176.300 -0.556 0.000 0.936 648 R CA -0.042 55.693 56.100 -0.608 0.000 1.089 648 R CB 0.756 30.413 30.300 -1.073 0.000 1.348 648 R HN 0.226 nan 8.270 nan 0.000 0.536 649 F N 2.104 122.249 119.950 0.324 0.000 2.477 649 F HA 0.373 4.900 4.527 -0.000 0.000 0.335 649 F C -1.592 174.214 175.800 0.010 0.000 1.130 649 F CA -3.081 55.011 58.000 0.152 0.000 0.948 649 F CB 1.557 40.556 39.000 -0.001 0.000 1.154 649 F HN -0.269 nan 8.300 nan 0.000 0.439 650 P HA -0.204 nan 4.420 nan 0.000 0.218 650 P C 0.772 177.660 177.300 -0.686 0.000 1.148 650 P CA 1.710 64.413 63.100 -0.660 0.000 0.822 650 P CB 0.276 31.356 31.700 -1.034 0.000 0.784 651 E N 0.450 120.354 120.200 -0.494 0.000 2.479 651 E HA 0.189 4.539 4.350 -0.000 0.000 0.193 651 E C 0.853 177.370 176.600 -0.139 0.000 1.049 651 E CA 0.466 56.733 56.400 -0.222 0.000 0.870 651 E CB -0.540 29.107 29.700 -0.089 0.000 0.944 651 E HN 0.196 nan 8.360 nan 0.000 0.492 652 G N 1.792 110.523 108.800 -0.115 0.000 2.699 652 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.686 652 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.686 652 G C 0.087 174.991 174.900 0.007 0.000 1.301 652 G CA -0.073 44.992 45.100 -0.059 0.000 0.816 652 G HN 0.145 nan 8.290 nan 0.000 0.595 653 K N -0.752 119.651 120.400 0.006 0.000 2.057 653 K HA 0.008 4.328 4.320 -0.000 0.000 0.206 653 K C 0.347 176.555 176.600 -0.653 0.000 1.050 653 K CA 1.470 57.590 56.287 -0.277 0.000 0.935 653 K CB -0.100 32.197 32.500 -0.339 0.000 0.715 653 K HN 0.485 nan 8.250 nan 0.000 0.439 654 Y N 0.553 120.820 120.300 -0.055 0.000 2.837 654 Y HA 0.247 4.797 4.550 -0.000 0.000 0.356 654 Y C -1.960 173.886 175.900 -0.089 0.000 1.035 654 Y CA -2.415 55.636 58.100 -0.082 0.000 1.165 654 Y CB 1.357 39.772 38.460 -0.075 0.000 1.147 654 Y HN 0.143 nan 8.280 nan 0.000 0.628 655 P HA -0.088 nan 4.420 nan 0.000 0.233 655 P C 0.090 177.389 177.300 -0.002 0.000 1.167 655 P CA 0.494 63.583 63.100 -0.019 0.000 0.770 655 P CB 0.493 32.174 31.700 -0.031 0.000 0.837 656 N N 1.945 120.656 118.700 0.019 0.000 2.416 656 N HA -0.015 4.725 4.740 -0.000 0.000 0.265 656 N C 0.202 175.703 175.510 -0.015 0.000 1.195 656 N CA 0.175 53.220 53.050 -0.008 0.000 0.943 656 N CB -0.530 37.945 38.487 -0.020 0.000 1.115 656 N HN -0.081 nan 8.380 nan 0.000 0.481 657 R N 0.466 120.936 120.500 -0.051 0.000 3.525 657 R HA -0.175 4.165 4.340 -0.000 0.000 0.276 657 R C -0.332 175.917 176.300 -0.085 0.000 1.116 657 R CA 0.818 56.885 56.100 -0.055 0.000 0.745 657 R CB -2.704 27.492 30.300 -0.174 0.000 1.185 657 R HN 0.731 nan 8.270 nan 0.000 0.454 658 S N -0.843 114.793 115.700 -0.106 0.000 2.572 658 S HA 0.167 4.637 4.470 -0.000 0.000 0.279 658 S C 1.539 175.911 174.600 -0.380 0.000 1.341 658 S CA 0.051 58.115 58.200 -0.225 0.000 1.043 658 S CB 1.637 64.730 63.200 -0.178 0.000 0.887 658 S HN 0.341 nan 8.310 nan 0.000 0.516 659 T N -2.073 112.143 114.554 -0.564 0.000 3.044 659 T HA 0.250 4.600 4.350 -0.000 0.000 0.250 659 T C 0.224 174.985 174.700 0.102 0.000 1.081 659 T CA 0.628 62.363 62.100 -0.609 0.000 1.040 659 T CB -0.716 67.769 68.868 -0.638 0.000 0.962 659 T HN 1.057 nan 8.240 nan 0.000 0.506 660 H N -2.211 116.903 119.070 0.073 0.000 2.967 660 H HA 0.588 5.144 4.556 -0.000 0.000 0.318 660 H C -1.750 173.536 175.328 -0.070 0.000 1.375 660 H CA -1.142 54.953 56.048 0.078 0.000 1.132 660 H CB 0.212 30.043 29.762 0.114 0.000 1.848 660 H HN -0.096 nan 8.280 nan 0.000 0.524 661 D N 0.884 121.274 120.400 -0.017 0.000 2.346 661 D HA 0.064 4.704 4.640 -0.000 0.000 0.260 661 D C 0.598 176.869 176.300 -0.048 0.000 1.252 661 D CA 0.588 54.527 54.000 -0.101 0.000 0.895 661 D CB 0.707 41.392 40.800 -0.192 0.000 1.097 661 D HN 0.707 nan 8.370 nan 0.000 0.489 662 T N 0.404 114.886 114.554 -0.121 0.000 3.134 662 T HA 0.366 4.716 4.350 -0.000 0.000 0.260 662 T C 0.977 175.436 174.700 -0.401 0.000 1.027 662 T CA -0.182 61.840 62.100 -0.131 0.000 0.913 662 T CB 0.773 69.618 68.868 -0.037 0.000 1.046 662 T HN 0.251 nan 8.240 nan 0.000 0.553 663 G N 1.400 109.856 108.800 -0.573 0.000 3.365 663 G HA2 0.461 4.421 3.960 -0.000 0.000 0.185 663 G HA3 0.461 4.421 3.960 -0.000 0.000 0.185 663 G C 0.840 174.780 174.900 -1.599 0.000 1.565 663 G CA -0.658 43.821 45.100 -1.035 0.000 0.984 663 G HN 0.288 nan 8.290 nan 0.000 0.604 664 L N 1.026 121.570 121.223 -1.132 0.000 2.187 664 L HA -0.051 4.289 4.340 -0.000 0.000 0.213 664 L C 3.038 179.559 176.870 -0.581 0.000 1.100 664 L CA 1.120 55.374 54.840 -0.976 0.000 0.765 664 L CB -0.481 40.697 42.059 -1.469 0.000 0.904 664 L HN 0.558 nan 8.230 nan 0.000 0.437 665 G N -1.050 107.477 108.800 -0.455 0.000 2.418 665 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.217 665 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.217 665 G C 1.502 176.316 174.900 -0.142 0.000 1.158 665 G CA 0.665 45.661 45.100 -0.174 0.000 0.771 665 G HN 0.414 nan 8.290 nan 0.000 0.545 666 Q N -0.987 118.650 119.800 -0.272 0.000 2.096 666 Q HA -0.073 4.267 4.340 -0.000 0.000 0.197 666 Q C 2.267 178.257 176.000 -0.016 0.000 0.964 666 Q CA 0.753 56.465 55.803 -0.152 0.000 0.838 666 Q CB -0.156 28.468 28.738 -0.189 0.000 0.906 666 Q HN 0.524 nan 8.270 nan 0.000 0.444 667 Y N 0.443 120.695 120.300 -0.079 0.000 2.315 667 Y HA -0.126 4.424 4.550 -0.000 0.000 0.288 667 Y C 2.502 178.402 175.900 0.001 0.000 1.154 667 Y CA 1.281 59.350 58.100 -0.052 0.000 1.229 667 Y CB -0.508 37.846 38.460 -0.177 0.000 0.980 667 Y HN 0.284 nan 8.280 nan 0.000 0.540 668 S N -1.317 114.474 115.700 0.152 0.000 2.523 668 S HA 0.076 4.546 4.470 -0.000 0.000 0.217 668 S C 1.739 176.413 174.600 0.123 0.000 0.996 668 S CA -0.193 58.104 58.200 0.162 0.000 0.921 668 S CB 0.001 63.348 63.200 0.246 0.000 0.829 668 S HN 0.315 nan 8.310 nan 0.000 0.495 669 K N 2.459 122.914 120.400 0.091 0.000 2.127 669 K HA -0.228 4.091 4.320 -0.000 0.000 0.208 669 K C 1.432 178.073 176.600 0.069 0.000 1.047 669 K CA 2.127 58.454 56.287 0.067 0.000 0.927 669 K CB -0.366 32.157 32.500 0.039 0.000 0.716 669 K HN 0.675 nan 8.250 nan 0.000 0.450 670 D N -0.353 120.097 120.400 0.083 0.000 2.312 670 D HA -0.225 4.415 4.640 -0.000 0.000 0.211 670 D C 0.078 176.423 176.300 0.075 0.000 0.964 670 D CA 0.657 54.705 54.000 0.079 0.000 0.877 670 D CB -0.835 40.024 40.800 0.098 0.000 0.924 670 D HN 0.420 nan 8.370 nan 0.000 0.515 671 N N 1.064 119.812 118.700 0.081 0.000 2.725 671 N HA -0.179 4.561 4.740 -0.000 0.000 0.251 671 N C -0.835 174.717 175.510 0.071 0.000 1.031 671 N CA 0.054 53.148 53.050 0.072 0.000 0.720 671 N CB -0.557 37.964 38.487 0.057 0.000 0.930 671 N HN 0.419 nan 8.380 nan 0.000 0.543 672 E N 0.148 120.396 120.200 0.081 0.000 2.391 672 E HA 0.123 4.473 4.350 -0.000 0.000 0.255 672 E C 0.303 176.944 176.600 0.069 0.000 1.187 672 E CA -0.284 56.162 56.400 0.077 0.000 0.941 672 E CB 0.744 30.497 29.700 0.090 0.000 1.010 672 E HN 0.260 nan 8.360 nan 0.000 0.458 673 S N 0.656 116.395 115.700 0.064 0.000 2.549 673 S HA 0.084 4.554 4.470 -0.000 0.000 0.283 673 S C 0.329 174.966 174.600 0.061 0.000 1.320 673 S CA -0.313 57.923 58.200 0.059 0.000 1.058 673 S CB 0.148 63.381 63.200 0.054 0.000 0.882 673 S HN 0.416 nan 8.310 nan 0.000 0.498 674 L N 3.196 124.455 121.223 0.059 0.000 3.066 674 L HA 0.338 4.678 4.340 -0.000 0.000 0.265 674 L C -0.119 176.783 176.870 0.053 0.000 1.232 674 L CA -0.217 54.660 54.840 0.061 0.000 1.031 674 L CB 0.289 42.389 42.059 0.068 0.000 1.379 674 L HN 0.583 nan 8.230 nan 0.000 0.563 675 D N 1.295 121.724 120.400 0.048 0.000 2.316 675 D HA 0.052 4.692 4.640 -0.000 0.000 0.245 675 D C 0.694 177.018 176.300 0.039 0.000 1.171 675 D CA 0.077 54.102 54.000 0.041 0.000 0.856 675 D CB 0.308 41.132 40.800 0.039 0.000 1.090 675 D HN 0.173 nan 8.370 nan 0.000 0.476 676 N N 2.842 121.563 118.700 0.035 0.000 2.688 676 N HA -0.256 4.484 4.740 -0.000 0.000 0.258 676 N C -1.243 174.288 175.510 0.035 0.000 1.016 676 N CA 0.714 53.783 53.050 0.031 0.000 0.747 676 N CB -0.403 38.098 38.487 0.025 0.000 0.895 676 N HN 0.461 nan 8.380 nan 0.000 0.543 677 T N -0.574 114.006 114.554 0.043 0.000 2.754 677 T HA 0.134 4.484 4.350 -0.000 0.000 0.296 677 T C -1.684 173.050 174.700 0.057 0.000 1.205 677 T CA -0.612 61.518 62.100 0.051 0.000 1.009 677 T CB 1.458 70.362 68.868 0.060 0.000 1.368 677 T HN 0.189 nan 8.240 nan 0.000 0.509 678 D N 1.613 122.055 120.400 0.071 0.000 2.348 678 D HA 0.478 5.118 4.640 -0.000 0.000 0.259 678 D C -0.111 176.252 176.300 0.106 0.000 1.296 678 D CA 0.004 54.050 54.000 0.077 0.000 0.931 678 D CB 0.362 41.217 40.800 0.093 0.000 1.067 678 D HN 0.713 nan 8.370 nan 0.000 0.503 679 A N 3.131 126.004 122.820 0.088 0.000 2.295 679 A HA 0.622 4.942 4.320 -0.000 0.000 0.318 679 A C -0.567 177.079 177.584 0.103 0.000 1.134 679 A CA -0.606 51.492 52.037 0.101 0.000 0.827 679 A CB 1.385 20.441 19.000 0.092 0.000 1.136 679 A HN 0.354 nan 8.150 nan 0.000 0.493 680 V N 2.002 121.989 119.914 0.122 0.000 2.483 680 V HA 0.366 4.486 4.120 -0.000 0.000 0.297 680 V C -0.426 175.711 176.094 0.071 0.000 1.027 680 V CA -0.522 61.803 62.300 0.040 0.000 0.855 680 V CB 1.551 33.378 31.823 0.006 0.000 0.995 680 V HN 0.662 nan 8.190 nan 0.000 0.424 681 V N 4.091 123.993 119.914 -0.021 0.000 2.439 681 V HA 0.470 4.590 4.120 -0.000 0.000 0.282 681 V C -0.959 175.150 176.094 0.024 0.000 1.039 681 V CA -0.446 61.918 62.300 0.107 0.000 0.913 681 V CB 1.516 33.389 31.823 0.083 0.000 0.983 681 V HN 0.899 nan 8.190 nan 0.000 0.460 682 W N 4.754 126.174 121.300 0.200 0.000 2.538 682 W HA 0.709 5.369 4.660 -0.000 0.000 0.322 682 W C -0.260 176.430 176.519 0.284 0.000 1.028 682 W CA -0.660 56.809 57.345 0.206 0.000 1.228 682 W CB 1.230 30.774 29.460 0.141 0.000 1.356 682 W HN 0.275 nan 8.180 nan 0.000 0.452 683 M N 3.204 123.076 119.600 0.452 0.000 2.149 683 M HA 0.391 4.871 4.480 -0.000 0.000 0.342 683 M C -0.252 176.312 176.300 0.440 0.000 1.068 683 M CA -0.280 55.259 55.300 0.398 0.000 0.991 683 M CB 1.635 34.407 32.600 0.288 0.000 1.596 683 M HN 0.232 nan 8.290 nan 0.000 0.439 684 T N 1.744 116.559 114.554 0.435 0.000 2.758 684 T HA 0.423 4.773 4.350 -0.000 0.000 0.285 684 T C -0.278 174.631 174.700 0.349 0.000 0.981 684 T CA -0.319 62.026 62.100 0.409 0.000 0.965 684 T CB 1.165 70.304 68.868 0.452 0.000 0.927 684 T HN 0.667 nan 8.240 nan 0.000 0.448 685 T N 2.202 116.976 114.554 0.367 0.000 2.881 685 T HA 0.747 5.097 4.350 -0.000 0.000 0.290 685 T C -0.293 174.614 174.700 0.345 0.000 1.000 685 T CA -0.380 61.940 62.100 0.367 0.000 0.978 685 T CB 1.033 70.161 68.868 0.433 0.000 0.997 685 T HN 0.785 nan 8.240 nan 0.000 0.443 686 G N 1.855 110.803 108.800 0.245 0.000 2.708 686 G HA2 0.754 4.714 3.960 -0.000 0.000 0.289 686 G HA3 0.754 4.714 3.960 -0.000 0.000 0.289 686 G C -0.719 174.272 174.900 0.151 0.000 1.416 686 G CA -0.443 44.758 45.100 0.168 0.000 0.829 686 G HN 0.989 nan 8.290 nan 0.000 0.480 687 T N -2.880 111.752 114.554 0.130 0.000 2.906 687 T HA 0.725 5.075 4.350 -0.000 0.000 0.295 687 T C -0.755 173.956 174.700 0.019 0.000 1.075 687 T CA -0.675 61.494 62.100 0.115 0.000 1.005 687 T CB 2.051 71.048 68.868 0.215 0.000 1.136 687 T HN 0.445 nan 8.240 nan 0.000 0.498 688 T N 1.710 116.239 114.554 -0.042 0.000 2.791 688 T HA 0.346 4.696 4.350 -0.000 0.000 0.288 688 T C -0.855 173.731 174.700 -0.190 0.000 0.999 688 T CA -0.456 61.564 62.100 -0.133 0.000 0.952 688 T CB 0.090 68.885 68.868 -0.121 0.000 0.938 688 T HN 0.790 nan 8.240 nan 0.000 0.444 689 H N 3.315 122.104 119.070 -0.468 0.000 2.640 689 H HA 0.543 5.099 4.556 -0.000 0.000 0.297 689 H C -0.973 174.078 175.328 -0.462 0.000 1.073 689 H CA -0.697 54.995 56.048 -0.593 0.000 1.305 689 H CB 0.471 29.834 29.762 -0.665 0.000 1.404 689 H HN 0.288 nan 8.280 nan 0.000 0.459 690 V N 5.363 125.214 119.914 -0.105 0.000 2.334 690 V HA 0.344 4.464 4.120 -0.000 0.000 0.281 690 V C 0.520 176.604 176.094 -0.016 0.000 1.016 690 V CA -0.602 61.625 62.300 -0.122 0.000 0.832 690 V CB 0.721 32.487 31.823 -0.094 0.000 0.999 690 V HN 0.933 nan 8.190 nan 0.000 0.439 691 A N 6.513 129.262 122.820 -0.118 0.000 2.366 691 A HA 0.779 5.099 4.320 -0.000 0.000 0.250 691 A C 0.382 177.999 177.584 0.056 0.000 1.099 691 A CA -0.085 51.956 52.037 0.006 0.000 0.794 691 A CB 0.424 19.374 19.000 -0.083 0.000 1.056 691 A HN 1.014 nan 8.150 nan 0.000 0.499 692 R N -1.601 118.967 120.500 0.113 0.000 2.734 692 R HA 0.661 5.001 4.340 -0.000 0.000 0.271 692 R C 0.433 176.796 176.300 0.106 0.000 1.021 692 R CA -0.276 55.875 56.100 0.085 0.000 0.893 692 R CB 1.205 31.564 30.300 0.097 0.000 1.244 692 R HN 0.680 nan 8.270 nan 0.000 0.464 693 A N 0.851 123.718 122.820 0.079 0.000 1.940 693 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 693 A C 1.435 179.105 177.584 0.143 0.000 1.176 693 A CA 1.787 53.885 52.037 0.103 0.000 0.631 693 A CB -0.675 18.362 19.000 0.063 0.000 0.814 693 A HN 0.831 nan 8.150 nan 0.000 0.446 694 E N 0.476 120.745 120.200 0.114 0.000 2.331 694 E HA -0.153 4.197 4.350 -0.000 0.000 0.199 694 E C 1.225 177.896 176.600 0.118 0.000 1.008 694 E CA 1.326 57.786 56.400 0.101 0.000 0.843 694 E CB -0.198 29.550 29.700 0.081 0.000 0.761 694 E HN 0.808 nan 8.360 nan 0.000 0.507 695 E N -0.947 119.358 120.200 0.175 0.000 2.444 695 E HA 0.040 4.390 4.350 -0.000 0.000 0.191 695 E C -0.271 176.486 176.600 0.262 0.000 1.041 695 E CA -0.268 56.249 56.400 0.194 0.000 0.883 695 E CB 0.362 30.224 29.700 0.271 0.000 1.024 695 E HN 0.186 nan 8.360 nan 0.000 0.470 696 W N 2.040 123.355 121.300 0.026 0.000 2.915 696 W HA 0.242 4.902 4.660 -0.000 0.000 0.337 696 W C -2.297 174.232 176.519 0.018 0.000 1.102 696 W CA -2.082 55.273 57.345 0.017 0.000 1.224 696 W CB 1.715 31.187 29.460 0.019 0.000 1.416 696 W HN -0.153 nan 8.180 nan 0.000 0.503 697 P HA 0.045 nan 4.420 nan 0.000 0.229 697 P C 0.150 177.030 177.300 -0.699 0.000 1.160 697 P CA 0.944 63.283 63.100 -1.267 0.000 0.777 697 P CB 1.483 32.687 31.700 -0.827 0.000 0.814 698 I N -0.458 119.911 120.570 -0.335 0.000 2.582 698 I HA 0.344 4.514 4.170 -0.000 0.000 0.292 698 I C -0.695 175.332 176.117 -0.150 0.000 1.066 698 I CA -1.653 59.473 61.300 -0.289 0.000 1.053 698 I CB 2.668 40.499 38.000 -0.281 0.000 1.241 698 I HN -0.279 nan 8.210 nan 0.000 0.421 699 M N 9.426 128.942 119.600 -0.140 0.000 2.120 699 M HA 0.459 4.939 4.480 -0.000 0.000 0.354 699 M C -2.428 173.798 176.300 -0.123 0.000 1.287 699 M CA -1.436 53.822 55.300 -0.070 0.000 1.103 699 M CB 0.971 33.563 32.600 -0.013 0.000 1.623 699 M HN 0.259 nan 8.290 nan 0.000 0.471 700 P HA 0.031 nan 4.420 nan 0.000 0.264 700 P C -0.898 176.305 177.300 -0.162 0.000 1.193 700 P CA 0.142 63.185 63.100 -0.096 0.000 0.763 700 P CB 0.370 32.041 31.700 -0.048 0.000 0.810 701 T N 4.122 118.566 114.554 -0.183 0.000 2.849 701 T HA -0.004 4.346 4.350 -0.000 0.000 0.289 701 T C 0.271 174.770 174.700 -0.336 0.000 1.010 701 T CA 0.362 62.272 62.100 -0.316 0.000 1.161 701 T CB -0.174 68.527 68.868 -0.278 0.000 0.989 701 T HN 0.335 nan 8.240 nan 0.000 0.523 702 E N 2.245 122.135 120.200 -0.516 0.000 2.183 702 E HA 0.346 4.696 4.350 -0.000 0.000 0.271 702 E C -0.849 175.435 176.600 -0.527 0.000 0.919 702 E CA -0.492 55.628 56.400 -0.468 0.000 0.781 702 E CB 1.642 30.892 29.700 -0.750 0.000 1.140 702 E HN 0.598 nan 8.360 nan 0.000 0.402 703 W N 1.374 122.525 121.300 -0.249 0.000 2.706 703 W HA 0.502 5.162 4.660 0.000 0.000 0.346 703 W C -0.255 176.035 176.519 -0.382 0.000 1.071 703 W CA -0.767 56.384 57.345 -0.323 0.000 1.206 703 W CB 1.397 30.653 29.460 -0.340 0.000 1.413 703 W HN 0.196 nan 8.180 nan 0.000 0.542 704 V N -0.697 119.100 119.914 -0.196 0.000 2.823 704 V HA 0.628 4.748 4.120 -0.000 0.000 0.312 704 V C -0.825 175.015 176.094 -0.423 0.000 1.072 704 V CA -0.957 61.241 62.300 -0.171 0.000 0.937 704 V CB 1.904 33.792 31.823 0.109 0.000 1.013 704 V HN 0.623 nan 8.190 nan 0.000 0.430 705 H N 1.918 121.026 119.070 0.063 0.000 2.717 705 H HA 0.801 5.357 4.556 0.000 0.000 0.366 705 H C -0.329 174.958 175.328 -0.069 0.000 1.132 705 H CA 0.066 56.089 56.048 -0.042 0.000 1.180 705 H CB 2.396 32.103 29.762 -0.092 0.000 1.678 705 H HN 1.071 nan 8.280 nan 0.000 0.537 706 T N 0.040 114.584 114.554 -0.016 0.000 2.901 706 T HA 0.678 5.028 4.350 -0.000 0.000 0.293 706 T C -0.957 173.660 174.700 -0.138 0.000 1.084 706 T CA -0.834 61.217 62.100 -0.081 0.000 1.008 706 T CB 2.060 70.848 68.868 -0.133 0.000 1.170 706 T HN 0.230 nan 8.240 nan 0.000 0.509 707 L N 0.345 121.488 121.223 -0.134 0.000 2.506 707 L HA 0.681 5.021 4.340 -0.000 0.000 0.257 707 L C -1.730 175.082 176.870 -0.096 0.000 0.964 707 L CA -0.781 53.978 54.840 -0.135 0.000 0.836 707 L CB 2.313 44.310 42.059 -0.102 0.000 1.384 707 L HN 0.814 nan 8.230 nan 0.000 0.410 708 L N 3.511 124.693 121.223 -0.069 0.000 2.415 708 L HA 0.532 4.871 4.340 -0.000 0.000 0.268 708 L C -0.754 176.205 176.870 0.149 0.000 0.984 708 L CA -0.629 54.254 54.840 0.070 0.000 0.853 708 L CB 1.475 43.569 42.059 0.060 0.000 1.215 708 L HN 0.476 nan 8.230 nan 0.000 0.419 709 K N 4.377 124.825 120.400 0.079 0.000 2.182 709 K HA 0.490 4.810 4.320 -0.000 0.000 0.262 709 K C -2.548 173.805 176.600 -0.412 0.000 0.957 709 K CA -1.812 54.433 56.287 -0.070 0.000 0.842 709 K CB 1.958 34.458 32.500 -0.000 0.000 1.099 709 K HN 0.211 nan 8.250 nan 0.000 0.438 710 P HA -0.062 nan 4.420 nan 0.000 0.271 710 P C -0.980 176.169 177.300 -0.252 0.000 1.220 710 P CA -0.057 62.437 63.100 -1.009 0.000 0.768 710 P CB 0.557 31.901 31.700 -0.592 0.000 0.848 711 W N 5.879 126.996 121.300 -0.305 0.000 2.453 711 W HA 0.165 4.825 4.660 0.000 0.000 0.310 711 W C -0.335 176.158 176.519 -0.043 0.000 1.000 711 W CA -0.308 56.969 57.345 -0.113 0.000 1.367 711 W CB 0.052 29.464 29.460 -0.079 0.000 1.269 711 W HN 0.543 nan 8.180 nan 0.000 0.418 712 N N 3.568 122.220 118.700 -0.079 0.000 2.741 712 N HA -0.322 4.418 4.740 -0.000 0.000 0.250 712 N C 0.331 175.845 175.510 0.005 0.000 1.115 712 N CA 1.482 54.514 53.050 -0.031 0.000 0.724 712 N CB -1.949 36.560 38.487 0.036 0.000 1.090 712 N HN 0.530 nan 8.380 nan 0.000 0.558 713 F N -0.149 119.674 119.950 -0.212 0.000 2.293 713 F HA 0.205 4.732 4.527 -0.000 0.000 0.297 713 F C 0.754 176.218 175.800 -0.561 0.000 1.089 713 F CA 0.783 58.537 58.000 -0.410 0.000 1.377 713 F CB 0.218 38.827 39.000 -0.652 0.000 1.051 713 F HN -0.024 nan 8.300 nan 0.000 0.511 714 F N 0.029 119.990 119.950 0.018 0.000 2.585 714 F HA 0.282 4.809 4.527 -0.000 0.000 0.350 714 F C 1.216 176.966 175.800 -0.084 0.000 1.074 714 F CA -0.909 57.055 58.000 -0.059 0.000 1.032 714 F CB 0.311 39.281 39.000 -0.050 0.000 1.330 714 F HN -0.312 nan 8.300 nan 0.000 0.495 715 D N -0.498 119.988 120.400 0.143 0.000 2.379 715 D HA 0.094 4.734 4.640 -0.000 0.000 0.208 715 D C -0.050 176.256 176.300 0.010 0.000 1.065 715 D CA 0.528 54.549 54.000 0.035 0.000 0.848 715 D CB 0.510 41.317 40.800 0.011 0.000 0.949 715 D HN 0.739 nan 8.370 nan 0.000 0.509 716 E N -1.361 118.853 120.200 0.022 0.000 2.402 716 E HA 0.229 4.579 4.350 -0.000 0.000 0.270 716 E C -1.115 175.439 176.600 -0.075 0.000 1.131 716 E CA -0.842 55.533 56.400 -0.041 0.000 0.884 716 E CB 0.215 29.884 29.700 -0.053 0.000 1.564 716 E HN -0.329 nan 8.360 nan 0.000 0.456 717 T N 2.679 117.167 114.554 -0.109 0.000 2.704 717 T HA 0.019 4.369 4.350 -0.000 0.000 0.271 717 T C -1.821 172.787 174.700 -0.152 0.000 1.000 717 T CA -0.300 61.724 62.100 -0.126 0.000 1.216 717 T CB 0.045 68.816 68.868 -0.161 0.000 0.961 717 T HN 0.314 nan 8.240 nan 0.000 0.515 718 P HA -0.060 nan 4.420 nan 0.000 0.222 718 P C 1.508 178.692 177.300 -0.195 0.000 1.147 718 P CA 0.776 63.602 63.100 -0.456 0.000 0.790 718 P CB 0.030 31.215 31.700 -0.859 0.000 0.780 719 T N -4.648 109.880 114.554 -0.043 0.000 3.086 719 T HA 0.178 4.528 4.350 -0.000 0.000 0.250 719 T C 1.571 176.341 174.700 0.117 0.000 1.074 719 T CA -0.086 62.045 62.100 0.052 0.000 0.988 719 T CB -0.851 68.082 68.868 0.109 0.000 0.988 719 T HN 0.005 nan 8.240 nan 0.000 0.530 720 L N 1.179 122.451 121.223 0.081 0.000 2.131 720 L HA 0.214 4.554 4.340 -0.000 0.000 0.210 720 L C 1.618 178.516 176.870 0.046 0.000 1.092 720 L CA 1.294 56.182 54.840 0.079 0.000 0.759 720 L CB -0.922 41.131 42.059 -0.010 0.000 0.903 720 L HN 0.754 nan 8.230 nan 0.000 0.435 721 G N -1.635 107.170 108.800 0.009 0.000 2.555 721 G HA2 0.061 4.021 3.960 -0.000 0.000 0.686 721 G HA3 0.061 4.021 3.960 -0.000 0.000 0.686 721 G C -0.572 174.324 174.900 -0.008 0.000 1.275 721 G CA -0.628 44.470 45.100 -0.003 0.000 0.871 721 G HN 0.382 nan 8.290 nan 0.000 0.603 722 A N -0.133 122.682 122.820 -0.009 0.000 2.407 722 A HA 0.663 4.983 4.320 -0.000 0.000 0.248 722 A C 0.866 178.447 177.584 -0.005 0.000 1.082 722 A CA -0.054 51.979 52.037 -0.006 0.000 0.785 722 A CB 0.226 19.221 19.000 -0.007 0.000 1.020 722 A HN 1.294 nan 8.150 nan 0.000 0.489 723 L N 2.447 123.667 121.223 -0.005 0.000 2.367 723 L HA 0.148 4.488 4.340 -0.000 0.000 0.275 723 L C 0.871 177.738 176.870 -0.005 0.000 1.129 723 L CA -0.193 54.644 54.840 -0.006 0.000 0.839 723 L CB 0.572 42.627 42.059 -0.007 0.000 1.133 723 L HN 0.784 nan 8.230 nan 0.000 0.453 724 K N 0.000 120.397 120.400 -0.005 0.000 2.780 724 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 724 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 724 K CB 0.000 32.498 32.500 -0.004 0.000 1.064 724 K HN 0.000 nan 8.250 nan 0.000 0.543