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 1jrq_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 VPFGDPDIGW 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 0.000 176.475 176.300 0.292 0.000 1.140 7 M CA 0.000 55.405 55.300 0.175 0.000 0.988 7 M CB 0.000 32.706 32.600 0.176 0.000 1.302 8 V N 2.315 122.458 119.914 0.381 0.000 3.077 8 V HA 0.694 4.814 4.120 -0.000 0.000 0.299 8 V C -2.502 173.492 176.094 -0.167 0.000 1.276 8 V CA -1.419 61.001 62.300 0.199 0.000 0.993 8 V CB 3.225 35.078 31.823 0.051 0.000 1.076 8 V HN 0.686 nan 8.190 nan 0.000 0.434 9 P HA 0.132 nan 4.420 nan 0.000 0.267 9 P C 0.562 177.498 177.300 -0.606 0.000 1.205 9 P CA 0.180 62.587 63.100 -1.154 0.000 0.765 9 P CB 0.767 31.871 31.700 -0.993 0.000 0.828 10 M N 3.067 122.300 119.600 -0.612 0.000 2.064 10 M HA -0.173 4.307 4.480 -0.000 0.000 0.260 10 M C 1.180 177.283 176.300 -0.328 0.000 1.073 10 M CA 1.915 56.941 55.300 -0.457 0.000 1.124 10 M CB -0.504 31.741 32.600 -0.592 0.000 1.326 10 M HN 0.236 nan 8.290 nan 0.000 0.410 11 D N 0.556 120.763 120.400 -0.322 0.000 2.126 11 D HA -0.254 4.386 4.640 -0.000 0.000 0.190 11 D C 1.874 178.085 176.300 -0.148 0.000 1.001 11 D CA 1.714 55.599 54.000 -0.192 0.000 0.841 11 D CB -0.385 40.319 40.800 -0.159 0.000 0.949 11 D HN 0.447 nan 8.370 nan 0.000 0.446 12 K N 0.129 120.417 120.400 -0.186 0.000 2.026 12 K HA -0.111 4.209 4.320 -0.000 0.000 0.208 12 K C 2.106 178.645 176.600 -0.101 0.000 1.048 12 K CA 1.528 57.734 56.287 -0.136 0.000 0.929 12 K CB -0.005 32.399 32.500 -0.161 0.000 0.713 12 K HN 0.006 nan 8.250 nan 0.000 0.439 13 T N 2.216 116.694 114.554 -0.127 0.000 2.708 13 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 13 T C 1.722 176.411 174.700 -0.018 0.000 1.037 13 T CA 0.903 62.959 62.100 -0.073 0.000 1.146 13 T CB -0.053 68.760 68.868 -0.092 0.000 0.865 13 T HN 0.084 nan 8.240 nan 0.000 0.435 14 L N 0.924 122.134 121.223 -0.022 0.000 2.027 14 L HA -0.003 4.337 4.340 -0.000 0.000 0.206 14 L C 2.362 179.272 176.870 0.067 0.000 1.074 14 L CA 1.832 56.704 54.840 0.054 0.000 0.745 14 L CB -0.932 41.154 42.059 0.046 0.000 0.898 14 L HN 0.298 nan 8.230 nan 0.000 0.433 15 K N -0.164 120.240 120.400 0.007 0.000 2.211 15 K HA -0.160 4.160 4.320 -0.000 0.000 0.203 15 K C 1.929 178.526 176.600 -0.005 0.000 1.050 15 K CA 0.945 57.228 56.287 -0.006 0.000 0.945 15 K CB 0.033 32.522 32.500 -0.020 0.000 0.732 15 K HN 0.383 nan 8.250 nan 0.000 0.451 16 E N -0.084 120.123 120.200 0.012 0.000 2.107 16 E HA -0.156 4.193 4.350 -0.000 0.000 0.191 16 E C 1.571 178.199 176.600 0.046 0.000 0.982 16 E CA 0.704 57.114 56.400 0.016 0.000 0.809 16 E CB -0.083 29.627 29.700 0.017 0.000 0.756 16 E HN 0.219 nan 8.360 nan 0.000 0.459 17 F N 0.521 120.407 119.950 -0.107 0.000 2.451 17 F HA -0.004 4.523 4.527 -0.000 0.000 0.299 17 F C 1.484 177.194 175.800 -0.149 0.000 1.101 17 F CA 1.549 59.461 58.000 -0.146 0.000 1.436 17 F CB 0.089 38.957 39.000 -0.220 0.000 1.074 17 F HN 0.089 nan 8.300 nan 0.000 0.553 18 G N -0.162 108.508 108.800 -0.217 0.000 2.159 18 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.227 18 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.227 18 G C 0.357 175.102 174.900 -0.258 0.000 0.986 18 G CA 0.041 44.977 45.100 -0.274 0.000 0.651 18 G HN 0.828 nan 8.290 nan 0.000 0.523 19 A N -0.263 122.441 122.820 -0.193 0.000 2.286 19 A HA 0.654 4.973 4.320 -0.000 0.000 0.286 19 A C -0.028 177.559 177.584 0.004 0.000 1.097 19 A CA 0.435 52.425 52.037 -0.078 0.000 0.821 19 A CB 0.710 19.717 19.000 0.012 0.000 1.076 19 A HN 0.474 nan 8.150 nan 0.000 0.490 20 D N 0.322 120.747 120.400 0.041 0.000 2.198 20 D HA 0.460 5.100 4.640 -0.000 0.000 0.245 20 D C -0.897 175.456 176.300 0.087 0.000 1.079 20 D CA 0.053 54.083 54.000 0.050 0.000 0.854 20 D CB 1.186 42.013 40.800 0.045 0.000 1.148 20 D HN 0.178 nan 8.370 nan 0.000 0.456 21 V N 4.595 124.565 119.914 0.094 0.000 2.384 21 V HA 0.361 4.481 4.120 -0.000 0.000 0.287 21 V C -0.211 175.998 176.094 0.192 0.000 1.020 21 V CA -0.649 61.738 62.300 0.145 0.000 0.850 21 V CB 1.216 33.105 31.823 0.111 0.000 0.987 21 V HN 0.538 nan 8.190 nan 0.000 0.436 22 Q N 4.430 124.377 119.800 0.244 0.000 2.340 22 Q HA 0.418 4.758 4.340 -0.000 0.000 0.268 22 Q C -1.234 174.974 176.000 0.346 0.000 1.031 22 Q CA -0.408 55.532 55.803 0.228 0.000 0.804 22 Q CB 2.998 31.810 28.738 0.123 0.000 1.286 22 Q HN 0.860 nan 8.270 nan 0.000 0.448 23 W N 4.060 125.398 121.300 0.064 0.000 2.529 23 W HA 0.355 5.015 4.660 0.000 0.000 0.321 23 W C -1.487 174.972 176.519 -0.100 0.000 1.047 23 W CA -0.495 56.779 57.345 -0.118 0.000 1.216 23 W CB 1.540 30.900 29.460 -0.167 0.000 1.357 23 W HN 0.641 nan 8.180 nan 0.000 0.489 24 D N 4.310 124.136 120.400 -0.957 0.000 2.453 24 D HA 0.042 4.682 4.640 -0.000 0.000 0.238 24 D C 0.302 175.888 176.300 -1.190 0.000 1.088 24 D CA -0.085 53.480 54.000 -0.725 0.000 0.854 24 D CB 1.468 42.036 40.800 -0.388 0.000 1.076 24 D HN 0.524 nan 8.370 nan 0.000 0.533 25 D N 2.458 122.367 120.400 -0.817 0.000 2.219 25 D HA -0.222 4.418 4.640 -0.000 0.000 0.205 25 D C 1.493 177.651 176.300 -0.237 0.000 0.970 25 D CA 0.928 54.648 54.000 -0.467 0.000 0.851 25 D CB 0.020 40.821 40.800 0.002 0.000 0.943 25 D HN 0.496 nan 8.370 nan 0.000 0.488 26 Y N 0.511 120.644 120.300 -0.280 0.000 2.200 26 Y HA 0.038 4.588 4.550 -0.000 0.000 0.290 26 Y C 1.894 177.678 175.900 -0.194 0.000 1.137 26 Y CA 1.725 59.718 58.100 -0.178 0.000 1.163 26 Y CB -0.323 38.054 38.460 -0.138 0.000 0.988 26 Y HN 0.013 nan 8.280 nan 0.000 0.518 27 A N -0.755 121.889 122.820 -0.293 0.000 2.308 27 A HA 0.118 4.438 4.320 -0.000 0.000 0.217 27 A C 0.618 177.979 177.584 -0.372 0.000 1.216 27 A CA 0.317 52.147 52.037 -0.345 0.000 0.864 27 A CB -0.125 18.762 19.000 -0.189 0.000 0.902 27 A HN 0.474 nan 8.150 nan 0.000 0.499 28 Q N -0.833 118.640 119.800 -0.544 0.000 2.451 28 Q HA -0.170 4.170 4.340 -0.000 0.000 0.305 28 Q C -0.687 175.009 176.000 -0.507 0.000 1.345 28 Q CA 0.738 56.205 55.803 -0.559 0.000 0.854 28 Q CB -1.683 26.993 28.738 -0.103 0.000 1.162 28 Q HN 0.563 nan 8.270 nan 0.000 0.440 29 L N 0.227 120.965 121.223 -0.807 0.000 2.408 29 L HA 0.570 4.910 4.340 -0.000 0.000 0.268 29 L C -0.824 175.877 176.870 -0.281 0.000 0.986 29 L CA -0.589 54.045 54.840 -0.344 0.000 0.820 29 L CB 1.386 43.331 42.059 -0.192 0.000 1.303 29 L HN 0.056 nan 8.230 nan 0.000 0.411 30 F N 1.902 121.968 119.950 0.193 0.000 2.404 30 F HA 0.469 4.996 4.527 -0.000 0.000 0.339 30 F C 0.641 176.509 175.800 0.115 0.000 1.105 30 F CA -0.178 57.982 58.000 0.266 0.000 1.087 30 F CB 2.028 41.201 39.000 0.289 0.000 1.143 30 F HN 0.319 nan 8.300 nan 0.000 0.491 31 T N 5.361 120.081 114.554 0.276 0.000 2.791 31 T HA 0.539 4.889 4.350 -0.000 0.000 0.288 31 T C -0.968 173.773 174.700 0.069 0.000 0.999 31 T CA -0.477 61.661 62.100 0.064 0.000 0.952 31 T CB 0.609 69.452 68.868 -0.041 0.000 0.938 31 T HN 0.066 nan 8.240 nan 0.000 0.444 32 L N 4.658 125.901 121.223 0.033 0.000 2.313 32 L HA 0.646 4.986 4.340 -0.000 0.000 0.283 32 L C -0.312 176.602 176.870 0.072 0.000 1.013 32 L CA -0.595 54.331 54.840 0.144 0.000 0.816 32 L CB 1.179 43.427 42.059 0.315 0.000 1.236 32 L HN 0.633 nan 8.230 nan 0.000 0.419 33 I N 3.357 123.997 120.570 0.116 0.000 2.533 33 I HA 0.486 4.656 4.170 -0.000 0.000 0.290 33 I C -0.431 175.789 176.117 0.172 0.000 1.056 33 I CA -0.702 60.667 61.300 0.115 0.000 1.057 33 I CB 2.341 40.353 38.000 0.019 0.000 1.240 33 I HN 0.478 nan 8.210 nan 0.000 0.423 34 K N 5.931 126.471 120.400 0.233 0.000 2.651 34 K HA 0.228 4.548 4.320 -0.000 0.000 0.259 34 K C -0.967 175.733 176.600 0.167 0.000 1.017 34 K CA -0.362 55.994 56.287 0.115 0.000 0.897 34 K CB 1.000 33.448 32.500 -0.087 0.000 1.262 34 K HN 0.736 nan 8.250 nan 0.000 0.460 35 D N 1.837 122.314 120.400 0.128 0.000 3.771 35 D HA -0.258 4.381 4.640 -0.000 0.000 0.145 35 D C 0.958 177.385 176.300 0.212 0.000 0.892 35 D CA 2.210 56.321 54.000 0.184 0.000 1.080 35 D CB -0.930 40.000 40.800 0.216 0.000 0.498 35 D HN 0.758 nan 8.370 nan 0.000 0.499 36 G N 0.410 109.351 108.800 0.235 0.000 2.813 36 G HA2 0.366 4.326 3.960 -0.000 0.000 0.209 36 G HA3 0.366 4.326 3.960 -0.000 0.000 0.209 36 G C 0.372 175.384 174.900 0.187 0.000 1.150 36 G CA 0.995 46.193 45.100 0.164 0.000 0.785 36 G HN 0.642 nan 8.290 nan 0.000 0.535 37 A N 0.109 123.083 122.820 0.256 0.000 2.289 37 A HA 0.611 4.931 4.320 -0.000 0.000 0.298 37 A C -1.487 176.252 177.584 0.259 0.000 1.208 37 A CA -0.570 51.614 52.037 0.245 0.000 0.845 37 A CB 0.457 19.663 19.000 0.343 0.000 1.125 37 A HN 0.283 nan 8.150 nan 0.000 0.517 38 Y N 3.318 123.661 120.300 0.072 0.000 2.426 38 Y HA 0.500 5.050 4.550 -0.000 0.000 0.325 38 Y C -0.873 175.039 175.900 0.021 0.000 0.989 38 Y CA -0.547 57.595 58.100 0.071 0.000 1.284 38 Y CB 1.270 39.764 38.460 0.057 0.000 1.104 38 Y HN 0.455 nan 8.280 nan 0.000 0.481 39 V N 5.880 125.755 119.914 -0.064 0.000 2.581 39 V HA 0.527 4.647 4.120 -0.000 0.000 0.303 39 V C -0.724 175.366 176.094 -0.007 0.000 1.041 39 V CA -1.085 61.181 62.300 -0.055 0.000 0.907 39 V CB 1.919 33.620 31.823 -0.203 0.000 0.994 39 V HN 0.556 nan 8.190 nan 0.000 0.442 40 K N 2.747 123.189 120.400 0.070 0.000 2.426 40 K HA 0.794 5.114 4.320 -0.000 0.000 0.254 40 K C -1.647 175.040 176.600 0.145 0.000 0.936 40 K CA -0.647 55.711 56.287 0.118 0.000 0.801 40 K CB 2.616 35.196 32.500 0.132 0.000 1.139 40 K HN 0.419 nan 8.250 nan 0.000 0.424 41 V N 3.131 123.178 119.914 0.221 0.000 2.777 41 V HA 0.358 4.478 4.120 -0.000 0.000 0.306 41 V C -1.668 174.612 176.094 0.310 0.000 1.112 41 V CA -0.762 61.687 62.300 0.248 0.000 0.917 41 V CB 1.978 33.976 31.823 0.291 0.000 1.018 41 V HN 0.665 nan 8.190 nan 0.000 0.426 42 K N 6.757 127.295 120.400 0.230 0.000 2.138 42 K HA 0.591 4.911 4.320 -0.000 0.000 0.263 42 K C -2.700 174.049 176.600 0.248 0.000 0.965 42 K CA -1.794 54.629 56.287 0.227 0.000 0.868 42 K CB 1.695 34.268 32.500 0.121 0.000 1.083 42 K HN 0.433 nan 8.250 nan 0.000 0.443 43 P HA -0.041 nan 4.420 nan 0.000 0.266 43 P C 0.626 178.013 177.300 0.146 0.000 1.195 43 P CA 0.644 63.882 63.100 0.230 0.000 0.768 43 P CB 0.584 32.424 31.700 0.234 0.000 0.838 44 G N 1.284 110.150 108.800 0.110 0.000 2.220 44 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.269 44 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.269 44 G C 0.493 175.438 174.900 0.075 0.000 0.977 44 G CA 0.184 45.331 45.100 0.079 0.000 0.634 44 G HN 0.877 nan 8.290 nan 0.000 0.539 45 A N -0.268 122.607 122.820 0.091 0.000 2.425 45 A HA 0.650 4.970 4.320 -0.000 0.000 0.249 45 A C 1.106 178.734 177.584 0.074 0.000 1.084 45 A CA 0.857 52.942 52.037 0.079 0.000 0.781 45 A CB 0.350 19.404 19.000 0.089 0.000 1.019 45 A HN 0.475 nan 8.150 nan 0.000 0.490 46 Q N -0.074 119.760 119.800 0.057 0.000 2.451 46 Q HA 0.052 4.392 4.340 -0.000 0.000 0.206 46 Q C 0.463 176.495 176.000 0.053 0.000 0.947 46 Q CA 1.073 56.907 55.803 0.052 0.000 0.937 46 Q CB 0.097 28.857 28.738 0.037 0.000 1.025 46 Q HN 0.935 nan 8.270 nan 0.000 0.511 47 T N -3.788 110.801 114.554 0.058 0.000 2.841 47 T HA 0.823 5.173 4.350 -0.000 0.000 0.296 47 T C -0.990 173.750 174.700 0.067 0.000 1.166 47 T CA -0.684 61.446 62.100 0.051 0.000 1.007 47 T CB 2.185 71.074 68.868 0.034 0.000 1.253 47 T HN 0.018 nan 8.240 nan 0.000 0.511 48 A N 0.716 123.567 122.820 0.053 0.000 2.530 48 A HA 0.847 5.167 4.320 -0.000 0.000 0.288 48 A C -1.391 176.211 177.584 0.030 0.000 1.172 48 A CA -0.981 51.092 52.037 0.061 0.000 0.733 48 A CB 1.361 20.400 19.000 0.065 0.000 1.320 48 A HN 0.810 nan 8.150 nan 0.000 0.419 49 I N 1.071 121.661 120.570 0.035 0.000 2.465 49 I HA 0.467 4.637 4.170 -0.000 0.000 0.291 49 I C -0.981 175.144 176.117 0.012 0.000 1.014 49 I CA -0.524 60.794 61.300 0.030 0.000 1.093 49 I CB 1.399 39.434 38.000 0.059 0.000 1.267 49 I HN 0.274 nan 8.210 nan 0.000 0.431 50 V N 5.819 125.727 119.914 -0.009 0.000 2.409 50 V HA 0.354 4.474 4.120 -0.000 0.000 0.290 50 V C 0.398 176.503 176.094 0.018 0.000 1.017 50 V CA -0.836 61.446 62.300 -0.031 0.000 0.841 50 V CB 1.068 32.832 31.823 -0.098 0.000 1.003 50 V HN 0.897 nan 8.190 nan 0.000 0.426 51 N N 3.999 122.743 118.700 0.073 0.000 2.714 51 N HA -0.246 4.494 4.740 -0.000 0.000 0.252 51 N C 1.158 176.681 175.510 0.023 0.000 1.014 51 N CA 0.450 53.535 53.050 0.059 0.000 0.735 51 N CB -0.635 37.874 38.487 0.037 0.000 0.924 51 N HN 1.395 nan 8.380 nan 0.000 0.540 52 G N -1.212 107.607 108.800 0.032 0.000 2.184 52 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.264 52 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.264 52 G C -0.182 174.724 174.900 0.010 0.000 0.975 52 G CA 0.498 45.606 45.100 0.013 0.000 0.642 52 G HN 0.431 nan 8.290 nan 0.000 0.536 53 Q N 0.201 120.007 119.800 0.009 0.000 2.337 53 Q HA 0.477 4.817 4.340 -0.000 0.000 0.266 53 Q C -2.667 173.333 176.000 0.001 0.000 1.023 53 Q CA -2.122 53.682 55.803 0.002 0.000 0.829 53 Q CB 2.149 30.885 28.738 -0.003 0.000 1.306 53 Q HN 0.161 nan 8.270 nan 0.000 0.449 54 P HA 0.109 nan 4.420 nan 0.000 0.268 54 P C -0.809 176.487 177.300 -0.006 0.000 1.204 54 P CA -0.259 62.843 63.100 0.003 0.000 0.768 54 P CB 0.411 32.114 31.700 0.006 0.000 0.842 55 L N 3.008 124.226 121.223 -0.008 0.000 2.409 55 L HA 0.692 5.032 4.340 -0.000 0.000 0.272 55 L C -0.746 176.121 176.870 -0.005 0.000 0.980 55 L CA -0.896 53.932 54.840 -0.019 0.000 0.826 55 L CB 1.558 43.587 42.059 -0.050 0.000 1.268 55 L HN 0.380 nan 8.230 nan 0.000 0.407 56 A N 5.891 128.709 122.820 -0.002 0.000 2.409 56 A HA 0.611 4.931 4.320 -0.000 0.000 0.262 56 A C -0.604 176.988 177.584 0.013 0.000 1.113 56 A CA -0.258 51.784 52.037 0.010 0.000 0.790 56 A CB -0.064 18.941 19.000 0.008 0.000 1.046 56 A HN 0.751 nan 8.150 nan 0.000 0.496 57 L N 2.383 123.626 121.223 0.034 0.000 2.322 57 L HA 0.273 4.613 4.340 -0.000 0.000 0.279 57 L C 1.350 178.250 176.870 0.050 0.000 1.036 57 L CA -0.478 54.394 54.840 0.052 0.000 0.807 57 L CB 1.359 43.478 42.059 0.100 0.000 1.226 57 L HN 0.918 nan 8.230 nan 0.000 0.433 58 Q N 1.122 120.953 119.800 0.052 0.000 2.049 58 Q HA 0.030 4.370 4.340 -0.000 0.000 0.198 58 Q C -0.321 175.711 176.000 0.052 0.000 0.971 58 Q CA 1.012 56.841 55.803 0.043 0.000 0.833 58 Q CB 0.351 29.112 28.738 0.039 0.000 0.896 58 Q HN 0.434 nan 8.270 nan 0.000 0.434 59 V N 2.638 122.597 119.914 0.076 0.000 2.409 59 V HA 0.268 4.388 4.120 -0.000 0.000 0.290 59 V C -2.306 173.843 176.094 0.091 0.000 1.017 59 V CA -1.785 60.558 62.300 0.073 0.000 0.841 59 V CB 1.401 33.266 31.823 0.070 0.000 1.003 59 V HN 0.093 nan 8.190 nan 0.000 0.426 60 P HA 0.084 nan 4.420 nan 0.000 0.268 60 P C -0.201 177.134 177.300 0.059 0.000 1.208 60 P CA -0.029 63.119 63.100 0.080 0.000 0.777 60 P CB 0.475 32.214 31.700 0.065 0.000 0.875 61 V N 2.590 122.534 119.914 0.050 0.000 2.637 61 V HA 0.138 4.258 4.120 -0.000 0.000 0.296 61 V C 0.471 176.593 176.094 0.046 0.000 1.046 61 V CA 0.066 62.353 62.300 -0.021 0.000 1.066 61 V CB 0.866 32.663 31.823 -0.044 0.000 0.968 61 V HN 0.358 nan 8.190 nan 0.000 0.483 62 V N 4.353 124.302 119.914 0.058 0.000 2.495 62 V HA 0.617 4.737 4.120 -0.000 0.000 0.298 62 V C -0.314 175.869 176.094 0.149 0.000 1.031 62 V CA -0.991 61.362 62.300 0.088 0.000 0.871 62 V CB 1.837 33.693 31.823 0.055 0.000 0.988 62 V HN 0.671 nan 8.190 nan 0.000 0.432 63 M N 4.686 124.354 119.600 0.113 0.000 2.077 63 M HA 0.472 4.952 4.480 -0.000 0.000 0.348 63 M C 0.363 176.725 176.300 0.103 0.000 1.252 63 M CA 0.091 55.458 55.300 0.111 0.000 1.096 63 M CB 1.024 33.654 32.600 0.050 0.000 1.568 63 M HN 0.910 nan 8.290 nan 0.000 0.456 64 K N 1.679 122.189 120.400 0.184 0.000 3.860 64 K HA 0.073 4.392 4.320 -0.000 0.000 0.165 64 K C -0.258 176.384 176.600 0.071 0.000 1.146 64 K CA 0.273 56.601 56.287 0.069 0.000 1.673 64 K CB -0.032 32.449 32.500 -0.031 0.000 2.306 64 K HN 0.511 nan 8.250 nan 0.000 0.504 65 D N 1.309 121.771 120.400 0.103 0.000 2.801 65 D HA 0.068 4.708 4.640 -0.000 0.000 0.232 65 D C -0.589 175.744 176.300 0.056 0.000 1.128 65 D CA 0.237 54.276 54.000 0.066 0.000 1.003 65 D CB -1.120 39.720 40.800 0.067 0.000 1.110 65 D HN 0.392 nan 8.370 nan 0.000 0.477 66 N N 0.926 119.643 118.700 0.028 0.000 2.741 66 N HA -0.221 4.519 4.740 -0.000 0.000 0.251 66 N C -1.157 174.317 175.510 -0.060 0.000 1.112 66 N CA 1.015 54.048 53.050 -0.028 0.000 0.750 66 N CB -0.517 37.955 38.487 -0.025 0.000 1.119 66 N HN 0.470 nan 8.380 nan 0.000 0.561 67 K N -0.428 119.978 120.400 0.009 0.000 2.378 67 K HA 0.761 5.081 4.320 -0.000 0.000 0.252 67 K C -0.494 176.089 176.600 -0.029 0.000 0.931 67 K CA -0.478 55.778 56.287 -0.052 0.000 0.794 67 K CB 1.924 34.406 32.500 -0.030 0.000 1.181 67 K HN 0.135 nan 8.250 nan 0.000 0.425 68 A N 2.127 124.834 122.820 -0.189 0.000 2.302 68 A HA 0.604 4.924 4.320 -0.000 0.000 0.285 68 A C -1.434 175.899 177.584 -0.418 0.000 1.105 68 A CA -0.289 51.651 52.037 -0.162 0.000 0.816 68 A CB 0.185 19.034 19.000 -0.251 0.000 1.067 68 A HN 0.673 nan 8.150 nan 0.000 0.489 69 W N 0.046 121.231 121.300 -0.192 0.000 2.915 69 W HA 0.537 5.197 4.660 -0.000 0.000 0.337 69 W C -0.452 175.918 176.519 -0.247 0.000 1.102 69 W CA -0.446 56.787 57.345 -0.187 0.000 1.224 69 W CB 2.065 31.454 29.460 -0.118 0.000 1.416 69 W HN 0.745 nan 8.180 nan 0.000 0.503 70 V N -0.147 119.723 119.914 -0.074 0.000 3.078 70 V HA 0.793 4.913 4.120 -0.000 0.000 0.311 70 V C 0.176 176.269 176.094 -0.001 0.000 1.138 70 V CA -1.201 60.977 62.300 -0.204 0.000 1.007 70 V CB 1.041 32.461 31.823 -0.672 0.000 1.045 70 V HN 0.634 nan 8.190 nan 0.000 0.432 71 S N 0.997 116.733 115.700 0.061 0.000 2.580 71 S HA 0.059 4.529 4.470 -0.000 0.000 0.266 71 S C 0.788 175.451 174.600 0.105 0.000 1.354 71 S CA 0.513 58.770 58.200 0.095 0.000 1.008 71 S CB 0.527 63.790 63.200 0.105 0.000 0.898 71 S HN 1.156 nan 8.310 nan 0.000 0.555 72 D N -0.503 119.944 120.400 0.079 0.000 2.378 72 D HA -0.073 4.567 4.640 -0.000 0.000 0.227 72 D C 1.205 177.539 176.300 0.056 0.000 1.012 72 D CA 0.933 54.970 54.000 0.061 0.000 0.905 72 D CB -0.468 40.359 40.800 0.045 0.000 0.895 72 D HN 0.580 nan 8.370 nan 0.000 0.532 73 T N -1.396 113.203 114.554 0.076 0.000 3.054 73 T HA 0.084 4.434 4.350 -0.000 0.000 0.255 73 T C 0.968 175.710 174.700 0.069 0.000 1.035 73 T CA -0.583 61.547 62.100 0.050 0.000 0.941 73 T CB -0.628 68.262 68.868 0.036 0.000 1.026 73 T HN 0.027 nan 8.240 nan 0.000 0.533 74 F N 2.144 122.077 119.950 -0.028 0.000 2.027 74 F HA -0.084 4.443 4.527 -0.000 0.000 0.297 74 F C 1.755 177.544 175.800 -0.019 0.000 1.129 74 F CA 1.711 59.697 58.000 -0.024 0.000 1.195 74 F CB -0.485 38.501 39.000 -0.024 0.000 0.960 74 F HN 0.176 nan 8.300 nan 0.000 0.485 75 I N 0.465 121.038 120.570 0.004 0.000 2.113 75 I HA -0.445 3.725 4.170 -0.000 0.000 0.242 75 I C 2.591 178.600 176.117 -0.179 0.000 1.064 75 I CA 2.072 63.265 61.300 -0.178 0.000 1.320 75 I CB -0.799 36.911 38.000 -0.484 0.000 1.028 75 I HN 0.395 nan 8.210 nan 0.000 0.406 76 N N 0.823 119.435 118.700 -0.147 0.000 2.084 76 N HA -0.230 4.510 4.740 -0.000 0.000 0.190 76 N C 1.432 176.886 175.510 -0.093 0.000 1.030 76 N CA 2.003 54.998 53.050 -0.092 0.000 0.849 76 N CB -0.169 38.282 38.487 -0.059 0.000 1.012 76 N HN 0.311 nan 8.380 nan 0.000 0.423 77 D N 0.303 120.628 120.400 -0.125 0.000 2.117 77 D HA -0.096 4.544 4.640 -0.000 0.000 0.197 77 D C 2.063 178.234 176.300 -0.215 0.000 0.987 77 D CA 0.853 54.770 54.000 -0.138 0.000 0.829 77 D CB -0.031 40.698 40.800 -0.119 0.000 0.961 77 D HN 0.196 nan 8.370 nan 0.000 0.460 78 V N 0.152 119.836 119.914 -0.383 0.000 2.326 78 V HA -0.100 4.020 4.120 -0.000 0.000 0.238 78 V C 2.113 177.960 176.094 -0.412 0.000 1.038 78 V CA 0.894 62.889 62.300 -0.508 0.000 1.032 78 V CB -0.688 30.560 31.823 -0.957 0.000 0.675 78 V HN 0.002 nan 8.190 nan 0.000 0.467 79 F N 0.155 119.964 119.950 -0.235 0.000 2.365 79 F HA -0.106 4.421 4.527 -0.000 0.000 0.300 79 F C 2.019 177.807 175.800 -0.021 0.000 1.090 79 F CA 1.068 59.024 58.000 -0.073 0.000 1.408 79 F CB -0.181 38.802 39.000 -0.028 0.000 1.060 79 F HN 0.209 nan 8.300 nan 0.000 0.534 80 Q N -0.922 118.922 119.800 0.074 0.000 2.157 80 Q HA 0.101 4.441 4.340 -0.000 0.000 0.229 80 Q C 1.817 177.820 176.000 0.005 0.000 0.827 80 Q CA 0.183 56.018 55.803 0.053 0.000 1.055 80 Q CB 0.176 28.936 28.738 0.036 0.000 1.157 80 Q HN 0.251 nan 8.270 nan 0.000 0.482 81 S N -1.333 114.348 115.700 -0.031 0.000 2.399 81 S HA 0.010 4.480 4.470 -0.000 0.000 0.231 81 S C 1.696 176.287 174.600 -0.015 0.000 1.022 81 S CA 0.994 59.168 58.200 -0.044 0.000 0.983 81 S CB -0.075 63.077 63.200 -0.081 0.000 0.803 81 S HN 0.510 nan 8.310 nan 0.000 0.480 82 G N 0.734 109.537 108.800 0.006 0.000 2.231 82 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.206 82 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.206 82 G C 0.659 175.569 174.900 0.017 0.000 0.996 82 G CA 0.143 45.255 45.100 0.020 0.000 0.645 82 G HN 0.467 nan 8.290 nan 0.000 0.498 83 L N 0.839 122.062 121.223 -0.000 0.000 2.291 83 L HA 0.180 4.520 4.340 -0.000 0.000 0.214 83 L C 1.076 177.954 176.870 0.014 0.000 1.120 83 L CA 0.983 55.821 54.840 -0.003 0.000 0.799 83 L CB -0.101 41.944 42.059 -0.024 0.000 0.925 83 L HN 0.247 nan 8.230 nan 0.000 0.446 84 D N 0.541 120.962 120.400 0.035 0.000 2.411 84 D HA 0.040 4.680 4.640 -0.000 0.000 0.225 84 D C 0.621 176.971 176.300 0.082 0.000 1.156 84 D CA 0.035 54.077 54.000 0.070 0.000 0.874 84 D CB 0.958 41.833 40.800 0.125 0.000 1.034 84 D HN 0.125 nan 8.370 nan 0.000 0.502 85 Q N 2.129 121.958 119.800 0.048 0.000 2.320 85 Q HA 0.016 4.356 4.340 -0.000 0.000 0.201 85 Q C 1.224 177.234 176.000 0.018 0.000 0.910 85 Q CA 0.106 55.933 55.803 0.039 0.000 0.946 85 Q CB 0.432 29.177 28.738 0.012 0.000 1.062 85 Q HN 0.517 nan 8.270 nan 0.000 0.503 86 T N 0.686 115.246 114.554 0.010 0.000 2.665 86 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 86 T C 0.319 174.878 174.700 -0.234 0.000 1.035 86 T CA 1.299 63.319 62.100 -0.133 0.000 1.151 86 T CB -0.086 68.714 68.868 -0.112 0.000 0.862 86 T HN 0.113 nan 8.240 nan 0.000 0.438 87 F N 1.319 121.302 119.950 0.056 0.000 2.421 87 F HA 0.488 5.015 4.527 -0.000 0.000 0.337 87 F C 0.486 176.309 175.800 0.039 0.000 1.105 87 F CA -1.070 56.961 58.000 0.051 0.000 1.049 87 F CB 1.107 40.138 39.000 0.052 0.000 1.139 87 F HN -0.158 nan 8.300 nan 0.000 0.479 88 Q N 2.119 122.029 119.800 0.183 0.000 2.387 88 Q HA 0.465 4.805 4.340 -0.000 0.000 0.273 88 Q C -0.667 175.400 176.000 0.112 0.000 1.089 88 Q CA -1.065 54.806 55.803 0.114 0.000 0.824 88 Q CB 2.662 31.437 28.738 0.062 0.000 1.367 88 Q HN 0.591 nan 8.270 nan 0.000 0.443 89 V N -1.163 118.801 119.914 0.083 0.000 2.740 89 V HA 0.200 4.320 4.120 -0.000 0.000 0.303 89 V C 0.161 176.297 176.094 0.071 0.000 1.054 89 V CA -0.268 62.076 62.300 0.073 0.000 1.106 89 V CB 0.683 32.538 31.823 0.054 0.000 0.957 89 V HN 0.827 nan 8.190 nan 0.000 0.486 90 E N 3.425 123.671 120.200 0.076 0.000 2.028 90 E HA 0.290 4.640 4.350 -0.000 0.000 0.266 90 E C 0.560 177.208 176.600 0.080 0.000 0.962 90 E CA -0.491 55.961 56.400 0.087 0.000 0.784 90 E CB 0.908 30.669 29.700 0.102 0.000 1.114 90 E HN 0.798 nan 8.360 nan 0.000 0.414 91 K N 2.767 123.211 120.400 0.073 0.000 2.167 91 K HA 0.031 4.350 4.320 -0.000 0.000 0.203 91 K C 0.295 176.945 176.600 0.083 0.000 1.052 91 K CA 0.740 57.066 56.287 0.064 0.000 0.956 91 K CB 0.296 32.824 32.500 0.047 0.000 0.735 91 K HN 0.308 nan 8.250 nan 0.000 0.451 92 R N 1.740 122.313 120.500 0.122 0.000 2.352 92 R HA 0.222 4.562 4.340 -0.000 0.000 0.304 92 R C -2.655 173.797 176.300 0.253 0.000 1.104 92 R CA -1.812 54.396 56.100 0.180 0.000 0.991 92 R CB 1.353 31.769 30.300 0.194 0.000 1.140 92 R HN -0.015 nan 8.270 nan 0.000 0.540 93 P HA -0.120 nan 4.420 nan 0.000 0.264 93 P C -0.495 176.790 177.300 -0.027 0.000 1.193 93 P CA 0.237 63.397 63.100 0.101 0.000 0.763 93 P CB 0.490 32.212 31.700 0.037 0.000 0.810 94 H N 6.533 125.528 119.070 -0.126 0.000 2.815 94 H HA 0.030 4.586 4.556 -0.000 0.000 0.350 94 H C -1.266 173.724 175.328 -0.563 0.000 1.080 94 H CA -1.338 54.407 56.048 -0.505 0.000 1.433 94 H CB 0.724 30.392 29.762 -0.156 0.000 1.432 94 H HN 0.261 nan 8.280 nan 0.000 0.592 95 P HA -0.085 nan 4.420 nan 0.000 0.228 95 P C 1.101 178.292 177.300 -0.181 0.000 1.151 95 P CA 0.878 63.735 63.100 -0.404 0.000 0.770 95 P CB 0.314 31.738 31.700 -0.459 0.000 0.786 96 L N -1.306 119.884 121.223 -0.054 0.000 2.667 96 L HA 0.171 4.511 4.340 -0.000 0.000 0.232 96 L C 0.769 177.533 176.870 -0.178 0.000 1.138 96 L CA -0.301 54.394 54.840 -0.241 0.000 0.921 96 L CB -0.750 41.030 42.059 -0.464 0.000 1.180 96 L HN -0.086 nan 8.230 nan 0.000 0.487 97 N N 1.385 120.056 118.700 -0.049 0.000 2.356 97 N HA 0.130 4.870 4.740 -0.000 0.000 0.252 97 N C 0.474 175.996 175.510 0.020 0.000 1.241 97 N CA -0.199 52.907 53.050 0.094 0.000 0.861 97 N CB 0.862 39.392 38.487 0.072 0.000 1.075 97 N HN 0.198 nan 8.380 nan 0.000 0.461 98 A N 3.018 125.849 122.820 0.018 0.000 2.386 98 A HA 0.166 4.486 4.320 -0.000 0.000 0.246 98 A C 0.440 178.013 177.584 -0.017 0.000 1.089 98 A CA -0.369 51.659 52.037 -0.015 0.000 0.790 98 A CB 0.195 19.176 19.000 -0.032 0.000 1.042 98 A HN 0.643 nan 8.150 nan 0.000 0.497 99 L N 1.433 122.643 121.223 -0.022 0.000 2.540 99 L HA 0.132 4.472 4.340 -0.000 0.000 0.276 99 L C 1.425 178.282 176.870 -0.022 0.000 1.212 99 L CA -0.046 54.781 54.840 -0.021 0.000 0.893 99 L CB -0.072 41.973 42.059 -0.023 0.000 1.138 99 L HN 0.969 nan 8.230 nan 0.000 0.491 100 T N -0.180 114.362 114.554 -0.021 0.000 2.788 100 T HA 0.358 4.708 4.350 -0.000 0.000 0.280 100 T C 1.221 175.905 174.700 -0.027 0.000 0.984 100 T CA -0.219 61.868 62.100 -0.021 0.000 0.972 100 T CB 1.331 70.189 68.868 -0.016 0.000 1.039 100 T HN 0.615 nan 8.240 nan 0.000 0.530 101 A N 0.496 123.300 122.820 -0.027 0.000 1.902 101 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 101 A C 2.048 179.609 177.584 -0.038 0.000 1.181 101 A CA 1.709 53.726 52.037 -0.033 0.000 0.623 101 A CB -1.092 17.891 19.000 -0.029 0.000 0.818 101 A HN 0.886 nan 8.150 nan 0.000 0.443 102 D N -0.238 120.144 120.400 -0.030 0.000 2.117 102 D HA -0.117 4.523 4.640 -0.000 0.000 0.197 102 D C 1.940 178.220 176.300 -0.033 0.000 0.987 102 D CA 1.434 55.416 54.000 -0.030 0.000 0.829 102 D CB -0.384 40.403 40.800 -0.021 0.000 0.961 102 D HN 0.665 nan 8.370 nan 0.000 0.460 103 E N 0.138 120.320 120.200 -0.030 0.000 2.106 103 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 103 E C 2.298 178.872 176.600 -0.043 0.000 0.984 103 E CA 0.377 56.759 56.400 -0.029 0.000 0.806 103 E CB 0.026 29.713 29.700 -0.022 0.000 0.750 103 E HN 0.308 nan 8.360 nan 0.000 0.458 104 I N 1.207 121.744 120.570 -0.055 0.000 2.252 104 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 104 I C 2.275 178.324 176.117 -0.114 0.000 1.102 104 I CA 1.237 62.486 61.300 -0.085 0.000 1.385 104 I CB -0.078 37.870 38.000 -0.086 0.000 1.064 104 I HN -0.006 nan 8.210 nan 0.000 0.414 105 K N 0.053 120.397 120.400 -0.093 0.000 2.097 105 K HA -0.215 4.105 4.320 -0.000 0.000 0.205 105 K C 2.161 178.712 176.600 -0.081 0.000 1.050 105 K CA 1.107 57.335 56.287 -0.098 0.000 0.938 105 K CB -0.145 32.312 32.500 -0.072 0.000 0.718 105 K HN 0.343 nan 8.250 nan 0.000 0.442 106 Q N 0.504 120.269 119.800 -0.057 0.000 2.079 106 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 106 Q C 2.052 178.033 176.000 -0.032 0.000 0.974 106 Q CA 1.432 57.212 55.803 -0.038 0.000 0.840 106 Q CB -0.069 28.654 28.738 -0.024 0.000 0.898 106 Q HN 0.320 nan 8.270 nan 0.000 0.430 107 A N -0.050 122.748 122.820 -0.036 0.000 1.933 107 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 107 A C 2.185 179.762 177.584 -0.011 0.000 1.175 107 A CA 1.510 53.540 52.037 -0.012 0.000 0.628 107 A CB -0.666 18.324 19.000 -0.016 0.000 0.814 107 A HN 0.305 nan 8.150 nan 0.000 0.444 108 V N 0.123 119.981 119.914 -0.093 0.000 2.358 108 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 108 V C 2.387 178.442 176.094 -0.065 0.000 1.047 108 V CA 2.292 64.513 62.300 -0.132 0.000 1.035 108 V CB -0.888 30.751 31.823 -0.308 0.000 0.658 108 V HN 0.660 nan 8.190 nan 0.000 0.452 109 E N 0.037 120.196 120.200 -0.069 0.000 2.077 109 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 109 E C 2.161 178.744 176.600 -0.028 0.000 0.989 109 E CA 1.521 57.883 56.400 -0.064 0.000 0.800 109 E CB -0.249 29.421 29.700 -0.050 0.000 0.746 109 E HN 0.557 nan 8.360 nan 0.000 0.452 110 I N 1.122 121.700 120.570 0.013 0.000 2.127 110 I HA -0.269 3.901 4.170 -0.000 0.000 0.241 110 I C 2.651 178.838 176.117 0.117 0.000 1.075 110 I CA 1.263 62.596 61.300 0.056 0.000 1.334 110 I CB -0.525 37.515 38.000 0.066 0.000 1.040 110 I HN 0.095 nan 8.210 nan 0.000 0.405 111 V N -1.570 118.456 119.914 0.186 0.000 2.515 111 V HA -0.178 3.942 4.120 -0.000 0.000 0.250 111 V C 2.185 178.430 176.094 0.252 0.000 1.058 111 V CA 1.411 63.946 62.300 0.392 0.000 1.064 111 V CB -0.898 31.251 31.823 0.543 0.000 0.675 111 V HN 0.340 nan 8.190 nan 0.000 0.461 112 K N 1.078 121.396 120.400 -0.137 0.000 2.283 112 K HA 0.162 4.482 4.320 -0.000 0.000 0.202 112 K C 2.217 178.711 176.600 -0.176 0.000 1.048 112 K CA 1.198 57.170 56.287 -0.526 0.000 0.948 112 K CB -0.315 31.854 32.500 -0.552 0.000 0.742 112 K HN 0.601 nan 8.250 nan 0.000 0.458 113 A N 1.071 123.860 122.820 -0.052 0.000 2.167 113 A HA -0.022 4.298 4.320 -0.000 0.000 0.214 113 A C 1.161 178.744 177.584 -0.002 0.000 1.151 113 A CA 0.316 52.340 52.037 -0.021 0.000 0.735 113 A CB -0.021 18.975 19.000 -0.007 0.000 0.802 113 A HN 0.186 nan 8.150 nan 0.000 0.467 114 S N -0.703 115.013 115.700 0.028 0.000 2.565 114 S HA 0.460 4.930 4.470 -0.000 0.000 0.276 114 S C 1.162 175.712 174.600 -0.083 0.000 1.326 114 S CA -0.010 58.157 58.200 -0.055 0.000 1.045 114 S CB 1.230 64.344 63.200 -0.144 0.000 0.918 114 S HN 0.740 nan 8.310 nan 0.000 0.505 115 A N 3.245 125.981 122.820 -0.139 0.000 2.209 115 A HA 0.039 4.359 4.320 -0.000 0.000 0.212 115 A C 1.468 178.946 177.584 -0.176 0.000 1.158 115 A CA 1.019 52.987 52.037 -0.114 0.000 0.742 115 A CB -0.353 18.583 19.000 -0.106 0.000 0.790 115 A HN 0.884 nan 8.150 nan 0.000 0.472 116 D N -1.465 118.698 120.400 -0.395 0.000 2.333 116 D HA 0.046 4.686 4.640 -0.000 0.000 0.208 116 D C 0.042 176.221 176.300 -0.203 0.000 0.984 116 D CA 0.047 53.739 54.000 -0.513 0.000 0.873 116 D CB -0.079 39.975 40.800 -1.242 0.000 0.935 116 D HN 0.434 nan 8.370 nan 0.000 0.521 117 F N 2.827 122.684 119.950 -0.156 0.000 2.541 117 F HA 0.019 4.546 4.527 -0.000 0.000 0.378 117 F C 0.687 176.541 175.800 0.090 0.000 1.068 117 F CA -0.140 57.965 58.000 0.174 0.000 1.199 117 F CB 0.410 39.531 39.000 0.201 0.000 1.091 117 F HN -0.442 nan 8.300 nan 0.000 0.555 118 K N 7.954 128.203 120.400 -0.252 0.000 2.143 118 K HA 0.248 4.568 4.320 -0.000 0.000 0.272 118 K C -1.667 174.891 176.600 -0.069 0.000 1.001 118 K CA -1.787 54.432 56.287 -0.113 0.000 0.915 118 K CB 0.864 33.286 32.500 -0.129 0.000 1.047 118 K HN 0.291 nan 8.250 nan 0.000 0.458 119 P HA -0.224 nan 4.420 nan 0.000 0.222 119 P C -0.103 177.274 177.300 0.129 0.000 1.159 119 P CA 1.800 64.981 63.100 0.134 0.000 0.920 119 P CB 0.153 31.900 31.700 0.078 0.000 0.793 120 N N -2.547 116.178 118.700 0.041 0.000 2.458 120 N HA 0.106 4.846 4.740 -0.000 0.000 0.274 120 N C -0.716 174.784 175.510 -0.016 0.000 1.242 120 N CA -0.051 53.030 53.050 0.052 0.000 0.904 120 N CB -0.057 38.459 38.487 0.048 0.000 1.206 120 N HN -0.019 nan 8.380 nan 0.000 0.510 121 T N 0.963 115.430 114.554 -0.146 0.000 2.928 121 T HA 0.140 4.490 4.350 -0.000 0.000 0.305 121 T C 0.684 175.229 174.700 -0.258 0.000 1.035 121 T CA 0.355 62.246 62.100 -0.348 0.000 1.145 121 T CB 0.718 69.041 68.868 -0.908 0.000 0.963 121 T HN 0.156 nan 8.240 nan 0.000 0.545 122 R N 0.876 121.217 120.500 -0.264 0.000 2.856 122 R HA 0.583 4.923 4.340 -0.000 0.000 0.258 122 R C -1.066 175.028 176.300 -0.344 0.000 1.066 122 R CA -0.745 55.291 56.100 -0.107 0.000 1.045 122 R CB 1.097 31.493 30.300 0.160 0.000 1.178 122 R HN 0.459 nan 8.270 nan 0.000 0.499 123 F N 0.129 120.158 119.950 0.131 0.000 2.403 123 F HA 0.187 4.714 4.527 -0.000 0.000 0.355 123 F C 1.479 177.348 175.800 0.115 0.000 1.119 123 F CA -0.700 57.361 58.000 0.101 0.000 1.007 123 F CB 1.818 40.871 39.000 0.088 0.000 1.194 123 F HN 0.631 nan 8.300 nan 0.000 0.443 124 T N -1.629 113.042 114.554 0.195 0.000 2.904 124 T HA -0.004 4.346 4.350 -0.000 0.000 0.267 124 T C 0.394 175.184 174.700 0.150 0.000 1.059 124 T CA 0.847 63.040 62.100 0.154 0.000 1.137 124 T CB 0.172 69.101 68.868 0.102 0.000 0.879 124 T HN 0.584 nan 8.240 nan 0.000 0.467 125 E N -0.481 119.816 120.200 0.162 0.000 2.388 125 E HA 0.515 4.865 4.350 -0.000 0.000 0.289 125 E C -1.988 174.689 176.600 0.128 0.000 0.944 125 E CA -0.712 55.761 56.400 0.122 0.000 0.792 125 E CB 1.804 31.547 29.700 0.073 0.000 1.239 125 E HN 0.366 nan 8.360 nan 0.000 0.412 126 I N 3.116 123.740 120.570 0.090 0.000 2.466 126 I HA 0.370 4.540 4.170 -0.000 0.000 0.279 126 I C -0.766 175.369 176.117 0.029 0.000 1.033 126 I CA -0.338 60.996 61.300 0.057 0.000 1.123 126 I CB 1.679 39.680 38.000 0.001 0.000 1.237 126 I HN 0.296 nan 8.210 nan 0.000 0.460 127 S N 4.839 120.557 115.700 0.029 0.000 2.618 127 S HA 0.550 5.020 4.470 -0.000 0.000 0.277 127 S C -0.745 173.860 174.600 0.008 0.000 1.138 127 S CA -0.690 57.518 58.200 0.014 0.000 0.844 127 S CB 2.387 65.599 63.200 0.021 0.000 1.127 127 S HN 0.467 nan 8.310 nan 0.000 0.474 128 L N 2.246 123.465 121.223 -0.007 0.000 2.490 128 L HA 0.383 4.723 4.340 -0.000 0.000 0.274 128 L C -0.675 176.191 176.870 -0.006 0.000 1.201 128 L CA -0.081 54.752 54.840 -0.012 0.000 0.869 128 L CB 0.169 42.212 42.059 -0.027 0.000 1.123 128 L HN 0.575 nan 8.230 nan 0.000 0.484 129 L N 8.678 129.900 121.223 -0.001 0.000 2.283 129 L HA 0.609 4.949 4.340 -0.000 0.000 0.281 129 L C -2.390 174.479 176.870 -0.002 0.000 1.033 129 L CA -2.179 52.664 54.840 0.005 0.000 0.848 129 L CB 0.413 42.480 42.059 0.014 0.000 1.226 129 L HN 0.512 nan 8.230 nan 0.000 0.429 130 P HA 0.324 nan 4.420 nan 0.000 0.275 130 P C -2.620 174.685 177.300 0.009 0.000 1.228 130 P CA -1.101 61.993 63.100 -0.009 0.000 0.786 130 P CB -0.089 31.608 31.700 -0.004 0.000 0.927 131 P HA 0.043 nan 4.420 nan 0.000 0.272 131 P C -0.495 176.826 177.300 0.034 0.000 1.254 131 P CA 0.020 63.124 63.100 0.006 0.000 0.795 131 P CB -0.032 31.657 31.700 -0.017 0.000 1.022 132 D N -1.236 119.185 120.400 0.035 0.000 2.382 132 D HA 0.021 4.661 4.640 -0.000 0.000 0.240 132 D C 1.166 177.475 176.300 0.014 0.000 1.146 132 D CA -0.489 53.539 54.000 0.046 0.000 0.897 132 D CB 0.634 41.461 40.800 0.044 0.000 1.197 132 D HN 0.309 nan 8.370 nan 0.000 0.432 133 K N 0.856 121.224 120.400 -0.054 0.000 2.044 133 K HA -0.343 3.977 4.320 -0.000 0.000 0.210 133 K C 1.785 178.260 176.600 -0.208 0.000 1.049 133 K CA 1.764 57.828 56.287 -0.371 0.000 0.927 133 K CB -0.078 31.973 32.500 -0.749 0.000 0.713 133 K HN 0.677 nan 8.250 nan 0.000 0.443 134 E N -0.251 119.909 120.200 -0.067 0.000 2.058 134 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 134 E C 1.795 178.447 176.600 0.087 0.000 0.997 134 E CA 1.267 57.690 56.400 0.038 0.000 0.801 134 E CB -0.190 29.527 29.700 0.029 0.000 0.746 134 E HN 0.487 nan 8.360 nan 0.000 0.450 135 A N 0.336 123.190 122.820 0.058 0.000 1.969 135 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 135 A C 2.359 179.999 177.584 0.094 0.000 1.169 135 A CA 1.195 53.276 52.037 0.073 0.000 0.635 135 A CB -0.412 18.614 19.000 0.044 0.000 0.810 135 A HN 0.226 nan 8.150 nan 0.000 0.445 136 V N -2.264 117.688 119.914 0.063 0.000 2.358 136 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 136 V C 2.200 178.380 176.094 0.144 0.000 1.047 136 V CA 1.648 63.971 62.300 0.037 0.000 1.035 136 V CB -0.961 30.892 31.823 0.050 0.000 0.658 136 V HN 0.798 nan 8.190 nan 0.000 0.452 137 W N -0.039 121.343 121.300 0.137 0.000 2.363 137 W HA -0.129 4.531 4.660 -0.000 0.000 0.296 137 W C 2.527 179.101 176.519 0.092 0.000 1.212 137 W CA 0.966 58.388 57.345 0.128 0.000 1.260 137 W CB -0.167 29.322 29.460 0.049 0.000 1.131 137 W HN 0.199 nan 8.180 nan 0.000 0.530 138 A N -0.717 122.294 122.820 0.318 0.000 2.015 138 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 138 A C 1.588 179.273 177.584 0.168 0.000 1.163 138 A CA 1.241 53.393 52.037 0.192 0.000 0.646 138 A CB -1.040 18.037 19.000 0.127 0.000 0.806 138 A HN 0.425 nan 8.150 nan 0.000 0.448 139 F N 0.854 120.827 119.950 0.038 0.000 2.128 139 F HA 0.073 4.600 4.527 -0.000 0.000 0.295 139 F C 2.420 178.213 175.800 -0.011 0.000 1.100 139 F CA 1.174 59.155 58.000 -0.032 0.000 1.260 139 F CB -0.385 38.531 39.000 -0.140 0.000 1.009 139 F HN 0.219 nan 8.300 nan 0.000 0.476 140 A N 0.536 123.522 122.820 0.276 0.000 1.902 140 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 140 A C 2.164 179.854 177.584 0.176 0.000 1.181 140 A CA 1.910 54.093 52.037 0.244 0.000 0.623 140 A CB -1.001 18.232 19.000 0.387 0.000 0.818 140 A HN 0.511 nan 8.150 nan 0.000 0.443 141 L N -1.772 119.577 121.223 0.209 0.000 2.408 141 L HA 0.093 4.433 4.340 -0.000 0.000 0.215 141 L C 1.530 178.418 176.870 0.031 0.000 1.081 141 L CA 0.741 55.656 54.840 0.125 0.000 0.840 141 L CB -0.002 42.129 42.059 0.120 0.000 1.002 141 L HN 0.380 nan 8.230 nan 0.000 0.468 142 E N -1.053 119.149 120.200 0.003 0.000 2.630 142 E HA 0.137 4.487 4.350 -0.000 0.000 0.218 142 E C -0.234 176.307 176.600 -0.098 0.000 0.977 142 E CA -0.179 56.201 56.400 -0.034 0.000 1.038 142 E CB 0.540 30.236 29.700 -0.006 0.000 1.051 142 E HN 0.204 nan 8.360 nan 0.000 0.487 143 N N 1.672 120.245 118.700 -0.213 0.000 2.753 143 N HA -0.203 4.536 4.740 -0.000 0.000 0.251 143 N C -0.154 175.219 175.510 -0.228 0.000 1.097 143 N CA 1.008 53.839 53.050 -0.366 0.000 0.786 143 N CB -0.945 37.395 38.487 -0.244 0.000 1.137 143 N HN 0.276 nan 8.380 nan 0.000 0.566 144 K N 1.829 122.172 120.400 -0.096 0.000 2.339 144 K HA 0.198 4.518 4.320 -0.000 0.000 0.286 144 K C -2.368 174.303 176.600 0.118 0.000 1.050 144 K CA -1.137 55.158 56.287 0.012 0.000 0.956 144 K CB 0.739 33.264 32.500 0.041 0.000 0.990 144 K HN -0.155 nan 8.250 nan 0.000 0.475 145 P HA -0.026 nan 4.420 nan 0.000 0.268 145 P C -0.806 176.577 177.300 0.139 0.000 1.204 145 P CA -0.345 62.867 63.100 0.186 0.000 0.768 145 P CB 0.703 32.470 31.700 0.111 0.000 0.842 146 V N 3.788 123.775 119.914 0.122 0.000 2.427 146 V HA 0.021 4.141 4.120 -0.000 0.000 0.268 146 V C 0.756 176.870 176.094 0.032 0.000 1.046 146 V CA 0.200 62.528 62.300 0.047 0.000 0.970 146 V CB 0.106 31.911 31.823 -0.030 0.000 1.001 146 V HN 0.613 nan 8.190 nan 0.000 0.476 147 D N 3.514 123.933 120.400 0.033 0.000 3.060 147 D HA 0.182 4.822 4.640 -0.000 0.000 0.245 147 D C 0.111 176.421 176.300 0.017 0.000 1.274 147 D CA -0.269 53.746 54.000 0.026 0.000 0.864 147 D CB 0.054 40.871 40.800 0.028 0.000 1.073 147 D HN 0.625 nan 8.370 nan 0.000 0.473 148 Q N 0.850 120.655 119.800 0.008 0.000 2.365 148 Q HA 0.440 4.780 4.340 -0.000 0.000 0.269 148 Q C -2.491 173.508 176.000 -0.002 0.000 1.061 148 Q CA -2.231 53.575 55.803 0.004 0.000 0.816 148 Q CB 2.075 30.815 28.738 0.003 0.000 1.325 148 Q HN 0.180 nan 8.270 nan 0.000 0.446 149 P HA 0.122 nan 4.420 nan 0.000 0.275 149 P C -0.675 176.622 177.300 -0.004 0.000 1.228 149 P CA -0.459 62.641 63.100 0.001 0.000 0.786 149 P CB 0.702 32.407 31.700 0.008 0.000 0.927 150 R N 2.507 123.002 120.500 -0.008 0.000 2.484 150 R HA 0.166 4.505 4.340 -0.000 0.000 0.293 150 R C 0.494 176.793 176.300 -0.002 0.000 1.023 150 R CA 0.480 56.573 56.100 -0.012 0.000 1.037 150 R CB -0.004 30.288 30.300 -0.013 0.000 0.951 150 R HN 0.522 nan 8.270 nan 0.000 0.418 151 K N 0.848 121.247 120.400 -0.001 0.000 2.340 151 K HA 0.748 5.068 4.320 -0.000 0.000 0.244 151 K C -0.929 175.676 176.600 0.008 0.000 0.973 151 K CA -0.827 55.465 56.287 0.009 0.000 0.828 151 K CB 2.412 34.920 32.500 0.013 0.000 1.226 151 K HN 0.606 nan 8.250 nan 0.000 0.437 152 A N 1.282 124.113 122.820 0.018 0.000 2.515 152 A HA 0.429 4.749 4.320 -0.000 0.000 0.298 152 A C -1.604 175.999 177.584 0.032 0.000 1.059 152 A CA -0.793 51.256 52.037 0.019 0.000 0.698 152 A CB 1.210 20.220 19.000 0.016 0.000 1.289 152 A HN 0.628 nan 8.150 nan 0.000 0.404 153 D N 1.127 121.547 120.400 0.034 0.000 2.232 153 D HA 0.486 5.126 4.640 -0.000 0.000 0.242 153 D C -0.903 175.431 176.300 0.056 0.000 1.093 153 D CA 0.205 54.230 54.000 0.041 0.000 0.845 153 D CB 1.862 42.688 40.800 0.044 0.000 1.124 153 D HN 0.159 nan 8.370 nan 0.000 0.467 154 V N 4.659 124.609 119.914 0.060 0.000 2.349 154 V HA 0.349 4.469 4.120 -0.000 0.000 0.284 154 V C 0.242 176.375 176.094 0.066 0.000 1.014 154 V CA -0.682 61.683 62.300 0.108 0.000 0.826 154 V CB 1.312 33.223 31.823 0.147 0.000 1.009 154 V HN 0.374 nan 8.190 nan 0.000 0.431 155 I N 5.865 126.495 120.570 0.100 0.000 2.312 155 I HA 0.484 4.654 4.170 -0.000 0.000 0.290 155 I C -0.077 176.054 176.117 0.023 0.000 1.008 155 I CA -0.127 61.202 61.300 0.047 0.000 1.226 155 I CB 1.396 39.454 38.000 0.097 0.000 1.371 155 I HN 0.449 nan 8.210 nan 0.000 0.468 156 M N 6.457 125.978 119.600 -0.131 0.000 2.578 156 M HA 0.473 4.953 4.480 -0.000 0.000 0.321 156 M C -1.055 175.115 176.300 -0.217 0.000 1.182 156 M CA -0.861 54.277 55.300 -0.270 0.000 0.965 156 M CB 2.557 34.892 32.600 -0.441 0.000 1.694 156 M HN 0.346 nan 8.290 nan 0.000 0.461 157 L N 2.548 123.637 121.223 -0.224 0.000 2.345 157 L HA 0.394 4.734 4.340 -0.000 0.000 0.274 157 L C -1.167 175.602 176.870 -0.169 0.000 0.999 157 L CA -0.154 54.598 54.840 -0.146 0.000 0.849 157 L CB 0.935 42.949 42.059 -0.075 0.000 1.220 157 L HN 0.544 nan 8.230 nan 0.000 0.422 158 D N 4.424 124.745 120.400 -0.132 0.000 2.479 158 D HA 0.547 5.187 4.640 -0.000 0.000 0.218 158 D C 0.992 177.288 176.300 -0.007 0.000 1.131 158 D CA 0.908 54.844 54.000 -0.106 0.000 0.916 158 D CB 0.526 41.273 40.800 -0.088 0.000 1.022 158 D HN 0.835 nan 8.370 nan 0.000 0.515 159 G N 4.900 113.680 108.800 -0.034 0.000 2.950 159 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.299 159 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.299 159 G C 0.774 175.625 174.900 -0.082 0.000 1.310 159 G CA 0.701 45.788 45.100 -0.022 0.000 0.994 159 G HN 0.650 nan 8.290 nan 0.000 0.575 160 K N 0.787 121.078 120.400 -0.182 0.000 2.438 160 K HA 0.397 4.717 4.320 -0.000 0.000 0.206 160 K C 0.085 176.421 176.600 -0.439 0.000 1.081 160 K CA -0.007 56.100 56.287 -0.299 0.000 1.053 160 K CB 0.418 32.706 32.500 -0.352 0.000 0.908 160 K HN 0.629 nan 8.250 nan 0.000 0.556 161 H N 1.292 120.277 119.070 -0.141 0.000 2.517 161 H HA 0.273 4.829 4.556 -0.000 0.000 0.317 161 H C -0.342 174.874 175.328 -0.186 0.000 1.080 161 H CA -0.657 55.291 56.048 -0.166 0.000 1.301 161 H CB 1.133 30.817 29.762 -0.131 0.000 1.425 161 H HN 0.023 nan 8.280 nan 0.000 0.471 162 I N 4.546 125.037 120.570 -0.131 0.000 2.428 162 I HA 0.155 4.325 4.170 -0.000 0.000 0.289 162 I C -0.025 175.985 176.117 -0.179 0.000 1.019 162 I CA -0.213 60.974 61.300 -0.188 0.000 1.351 162 I CB 0.589 38.386 38.000 -0.338 0.000 1.412 162 I HN 0.528 nan 8.210 nan 0.000 0.513 163 I N 5.813 126.255 120.570 -0.213 0.000 2.582 163 I HA 0.278 4.448 4.170 -0.000 0.000 0.292 163 I C -0.170 175.762 176.117 -0.308 0.000 1.066 163 I CA -0.342 60.774 61.300 -0.307 0.000 1.053 163 I CB 2.044 39.736 38.000 -0.512 0.000 1.241 163 I HN 0.446 nan 8.210 nan 0.000 0.421 164 E N 4.580 124.625 120.200 -0.259 0.000 2.145 164 E HA 0.779 5.129 4.350 -0.000 0.000 0.270 164 E C -0.972 175.499 176.600 -0.216 0.000 0.906 164 E CA -0.713 55.595 56.400 -0.153 0.000 0.761 164 E CB 1.980 31.669 29.700 -0.019 0.000 1.116 164 E HN 0.658 nan 8.360 nan 0.000 0.408 165 A N 2.599 125.304 122.820 -0.192 0.000 2.384 165 A HA 0.754 5.074 4.320 -0.000 0.000 0.312 165 A C -0.982 176.602 177.584 -0.000 0.000 1.113 165 A CA -0.615 51.350 52.037 -0.120 0.000 0.779 165 A CB 1.551 20.450 19.000 -0.168 0.000 1.307 165 A HN 0.382 nan 8.150 nan 0.000 0.436 166 V N 1.213 121.158 119.914 0.051 0.000 2.531 166 V HA 0.598 4.718 4.120 -0.000 0.000 0.301 166 V C -0.380 175.761 176.094 0.078 0.000 1.034 166 V CA -0.450 61.884 62.300 0.058 0.000 0.865 166 V CB 1.506 33.359 31.823 0.051 0.000 0.995 166 V HN 1.189 nan 8.190 nan 0.000 0.424 167 V N 0.632 120.586 119.914 0.067 0.000 2.769 167 V HA 0.716 4.836 4.120 -0.000 0.000 0.312 167 V C -0.711 175.411 176.094 0.047 0.000 1.061 167 V CA -0.625 61.716 62.300 0.069 0.000 0.931 167 V CB 2.135 34.002 31.823 0.073 0.000 1.010 167 V HN 0.803 nan 8.190 nan 0.000 0.433 168 D N 3.046 123.472 120.400 0.043 0.000 2.396 168 D HA 0.379 5.019 4.640 -0.000 0.000 0.225 168 D C 0.829 177.143 176.300 0.024 0.000 1.121 168 D CA -0.199 53.820 54.000 0.030 0.000 0.853 168 D CB 1.589 42.407 40.800 0.030 0.000 1.043 168 D HN 0.641 nan 8.370 nan 0.000 0.500 169 L N 2.974 124.207 121.223 0.016 0.000 2.109 169 L HA -0.117 4.222 4.340 -0.000 0.000 0.207 169 L C 2.526 179.401 176.870 0.007 0.000 1.086 169 L CA 0.758 55.604 54.840 0.009 0.000 0.760 169 L CB -0.261 41.799 42.059 0.002 0.000 0.910 169 L HN 0.495 nan 8.230 nan 0.000 0.437 170 Q N 0.590 120.394 119.800 0.007 0.000 1.993 170 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 170 Q C 1.615 177.621 176.000 0.009 0.000 0.984 170 Q CA 1.691 57.498 55.803 0.007 0.000 0.837 170 Q CB 0.075 28.817 28.738 0.007 0.000 0.902 170 Q HN 0.475 nan 8.270 nan 0.000 0.423 171 N N 1.077 119.784 118.700 0.012 0.000 2.521 171 N HA -0.079 4.661 4.740 -0.000 0.000 0.188 171 N C -0.259 175.260 175.510 0.016 0.000 1.146 171 N CA 0.551 53.609 53.050 0.014 0.000 0.893 171 N CB -0.218 38.279 38.487 0.016 0.000 0.975 171 N HN 0.335 nan 8.380 nan 0.000 0.451 172 N N 1.140 119.850 118.700 0.016 0.000 2.714 172 N HA -0.215 4.524 4.740 -0.000 0.000 0.252 172 N C -0.958 174.568 175.510 0.026 0.000 1.014 172 N CA 0.831 53.891 53.050 0.018 0.000 0.735 172 N CB -0.814 37.679 38.487 0.011 0.000 0.924 172 N HN 0.520 nan 8.380 nan 0.000 0.540 173 K N -1.083 119.337 120.400 0.034 0.000 2.435 173 K HA 0.575 4.895 4.320 -0.000 0.000 0.251 173 K C -0.835 175.803 176.600 0.064 0.000 0.954 173 K CA -1.235 55.078 56.287 0.044 0.000 0.820 173 K CB 1.486 34.008 32.500 0.037 0.000 1.292 173 K HN 0.012 nan 8.250 nan 0.000 0.436 174 L N 3.484 124.758 121.223 0.084 0.000 2.319 174 L HA 0.184 4.524 4.340 -0.000 0.000 0.280 174 L C 0.257 177.191 176.870 0.106 0.000 1.099 174 L CA -0.049 54.864 54.840 0.123 0.000 0.828 174 L CB 0.383 42.544 42.059 0.169 0.000 1.150 174 L HN 0.864 nan 8.230 nan 0.000 0.442 175 L N 3.057 124.342 121.223 0.103 0.000 2.357 175 L HA 0.260 4.600 4.340 -0.000 0.000 0.211 175 L C 0.504 177.435 176.870 0.103 0.000 1.075 175 L CA 0.515 55.406 54.840 0.085 0.000 0.830 175 L CB -0.224 41.874 42.059 0.064 0.000 0.996 175 L HN 0.813 nan 8.230 nan 0.000 0.467 176 S N -2.309 113.473 115.700 0.136 0.000 2.567 176 S HA 0.386 4.856 4.470 -0.000 0.000 0.270 176 S C -2.047 172.698 174.600 0.241 0.000 1.152 176 S CA -0.758 57.538 58.200 0.160 0.000 0.835 176 S CB 2.039 65.302 63.200 0.104 0.000 1.115 176 S HN 0.202 nan 8.310 nan 0.000 0.459 177 W N 2.399 123.721 121.300 0.036 0.000 2.664 177 W HA 0.420 5.080 4.660 -0.000 0.000 0.314 177 W C -1.706 174.825 176.519 0.020 0.000 1.010 177 W CA -0.187 57.179 57.345 0.035 0.000 1.306 177 W CB 1.617 31.097 29.460 0.035 0.000 1.254 177 W HN 0.800 nan 8.180 nan 0.000 0.404 178 Q N 6.188 125.982 119.800 -0.010 0.000 2.363 178 Q HA 0.331 4.671 4.340 -0.000 0.000 0.265 178 Q C -2.311 173.656 176.000 -0.054 0.000 1.032 178 Q CA -1.847 53.971 55.803 0.025 0.000 0.746 178 Q CB 2.530 31.279 28.738 0.018 0.000 1.237 178 Q HN 0.161 nan 8.270 nan 0.000 0.475 179 P HA 0.107 nan 4.420 nan 0.000 0.267 179 P C -0.380 176.887 177.300 -0.055 0.000 1.205 179 P CA -0.030 63.054 63.100 -0.028 0.000 0.765 179 P CB 0.617 32.334 31.700 0.028 0.000 0.828 180 I N 3.264 123.768 120.570 -0.110 0.000 2.307 180 I HA 0.206 4.376 4.170 -0.000 0.000 0.287 180 I C 0.915 176.940 176.117 -0.154 0.000 1.054 180 I CA -0.898 60.316 61.300 -0.143 0.000 1.218 180 I CB 0.329 38.173 38.000 -0.260 0.000 1.398 180 I HN 0.354 nan 8.210 nan 0.000 0.475 181 K N 6.720 127.065 120.400 -0.091 0.000 2.484 181 K HA -0.045 4.274 4.320 -0.000 0.000 0.280 181 K C 0.244 176.777 176.600 -0.110 0.000 1.013 181 K CA 0.543 56.783 56.287 -0.078 0.000 1.029 181 K CB 0.460 32.936 32.500 -0.039 0.000 0.902 181 K HN 0.560 nan 8.250 nan 0.000 0.481 182 D N 0.208 120.528 120.400 -0.134 0.000 2.705 182 D HA -0.215 4.425 4.640 -0.000 0.000 0.187 182 D C -0.387 175.768 176.300 -0.241 0.000 1.015 182 D CA 1.630 55.531 54.000 -0.165 0.000 1.030 182 D CB -1.202 39.549 40.800 -0.081 0.000 1.100 182 D HN 0.686 nan 8.370 nan 0.000 0.439 183 A N 1.033 123.673 122.820 -0.301 0.000 2.440 183 A HA 0.344 4.664 4.320 -0.000 0.000 0.251 183 A C 0.196 177.542 177.584 -0.396 0.000 1.089 183 A CA 0.200 52.009 52.037 -0.381 0.000 0.779 183 A CB 0.366 18.887 19.000 -0.798 0.000 1.022 183 A HN 0.221 nan 8.150 nan 0.000 0.492 184 H N 1.209 120.162 119.070 -0.195 0.000 2.458 184 H HA 0.423 4.979 4.556 -0.000 0.000 0.330 184 H C 0.837 176.111 175.328 -0.090 0.000 1.111 184 H CA 0.345 56.305 56.048 -0.146 0.000 1.245 184 H CB 1.743 31.440 29.762 -0.109 0.000 1.456 184 H HN 0.868 nan 8.280 nan 0.000 0.488 185 G N 2.220 111.027 108.800 0.011 0.000 2.537 185 G HA2 0.330 4.290 3.960 -0.000 0.000 0.273 185 G HA3 0.330 4.290 3.960 -0.000 0.000 0.273 185 G C 0.653 175.568 174.900 0.025 0.000 1.189 185 G CA -0.723 44.397 45.100 0.034 0.000 0.881 185 G HN 0.643 nan 8.290 nan 0.000 0.535 186 M N 0.095 119.707 119.600 0.019 0.000 2.167 186 M HA 0.410 4.890 4.480 -0.000 0.000 0.300 186 M C -0.234 176.020 176.300 -0.076 0.000 1.171 186 M CA -0.406 54.864 55.300 -0.049 0.000 1.171 186 M CB 0.402 32.980 32.600 -0.037 0.000 1.396 186 M HN 0.101 nan 8.290 nan 0.000 0.466 187 V N 2.679 122.495 119.914 -0.163 0.000 2.508 187 V HA 0.245 4.365 4.120 -0.000 0.000 0.281 187 V C 0.372 176.471 176.094 0.008 0.000 1.041 187 V CA -0.246 61.974 62.300 -0.132 0.000 1.016 187 V CB 0.205 31.847 31.823 -0.302 0.000 0.984 187 V HN 0.638 nan 8.190 nan 0.000 0.478 188 L N 4.167 125.396 121.223 0.011 0.000 2.352 188 L HA 0.403 4.743 4.340 -0.000 0.000 0.269 188 L C 1.351 178.182 176.870 -0.065 0.000 1.034 188 L CA -0.729 54.083 54.840 -0.047 0.000 0.806 188 L CB 1.437 43.432 42.059 -0.108 0.000 1.244 188 L HN 0.529 nan 8.230 nan 0.000 0.447 189 L N 1.369 122.412 121.223 -0.301 0.000 1.997 189 L HA -0.276 4.064 4.340 -0.000 0.000 0.216 189 L C 2.247 179.006 176.870 -0.185 0.000 1.074 189 L CA 2.436 57.108 54.840 -0.279 0.000 0.763 189 L CB -0.287 41.539 42.059 -0.387 0.000 0.890 189 L HN 0.956 nan 8.230 nan 0.000 0.434 190 D N -1.121 119.001 120.400 -0.464 0.000 2.221 190 D HA -0.256 4.384 4.640 -0.000 0.000 0.204 190 D C 1.482 177.781 176.300 -0.001 0.000 0.982 190 D CA 1.337 55.262 54.000 -0.126 0.000 0.857 190 D CB -0.672 40.111 40.800 -0.027 0.000 0.934 190 D HN 0.368 nan 8.370 nan 0.000 0.475 191 D N -0.142 120.259 120.400 0.002 0.000 2.178 191 D HA -0.127 4.512 4.640 -0.000 0.000 0.201 191 D C 1.814 178.126 176.300 0.019 0.000 0.980 191 D CA 0.553 54.552 54.000 -0.002 0.000 0.842 191 D CB -0.506 40.267 40.800 -0.046 0.000 0.948 191 D HN 0.262 nan 8.370 nan 0.000 0.472 192 F N 1.524 121.446 119.950 -0.047 0.000 2.102 192 F HA -0.124 4.403 4.527 -0.000 0.000 0.298 192 F C 2.535 178.313 175.800 -0.036 0.000 1.105 192 F CA 1.045 59.034 58.000 -0.017 0.000 1.239 192 F CB -0.701 38.302 39.000 0.006 0.000 0.991 192 F HN -0.072 nan 8.300 nan 0.000 0.474 193 A N -0.672 122.242 122.820 0.157 0.000 1.898 193 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 193 A C 2.372 179.967 177.584 0.017 0.000 1.181 193 A CA 1.890 53.968 52.037 0.069 0.000 0.620 193 A CB -1.093 17.945 19.000 0.063 0.000 0.819 193 A HN 0.315 nan 8.150 nan 0.000 0.442 194 S N -0.210 115.494 115.700 0.007 0.000 2.353 194 S HA -0.163 4.307 4.470 -0.000 0.000 0.222 194 S C 1.892 176.457 174.600 -0.058 0.000 1.035 194 S CA 1.444 59.631 58.200 -0.022 0.000 1.025 194 S CB -0.718 62.467 63.200 -0.025 0.000 0.902 194 S HN 0.313 nan 8.310 nan 0.000 0.440 195 V N 1.947 121.814 119.914 -0.079 0.000 2.282 195 V HA -0.284 3.836 4.120 -0.000 0.000 0.249 195 V C 2.715 178.722 176.094 -0.145 0.000 1.057 195 V CA 2.374 64.598 62.300 -0.126 0.000 1.032 195 V CB -0.755 30.973 31.823 -0.158 0.000 0.645 195 V HN 0.459 nan 8.190 nan 0.000 0.447 196 Q N 0.429 120.164 119.800 -0.108 0.000 2.084 196 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 196 Q C 2.125 178.058 176.000 -0.111 0.000 0.978 196 Q CA 2.261 57.993 55.803 -0.118 0.000 0.844 196 Q CB -0.573 28.123 28.738 -0.070 0.000 0.898 196 Q HN 0.673 nan 8.270 nan 0.000 0.426 197 N N 0.000 118.656 118.700 -0.073 0.000 2.084 197 N HA -0.148 4.592 4.740 -0.000 0.000 0.190 197 N C 1.810 177.275 175.510 -0.076 0.000 1.030 197 N CA 1.672 54.687 53.050 -0.058 0.000 0.849 197 N CB -0.170 38.299 38.487 -0.031 0.000 1.012 197 N HN 0.412 nan 8.380 nan 0.000 0.423 198 I N 0.460 120.975 120.570 -0.092 0.000 2.264 198 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 198 I C 2.017 178.045 176.117 -0.148 0.000 1.111 198 I CA 0.696 61.935 61.300 -0.101 0.000 1.382 198 I CB -0.098 37.841 38.000 -0.102 0.000 1.060 198 I HN 0.101 nan 8.210 nan 0.000 0.418 199 I N 0.762 121.190 120.570 -0.236 0.000 2.286 199 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 199 I C 2.061 178.047 176.117 -0.217 0.000 1.104 199 I CA 1.619 62.678 61.300 -0.401 0.000 1.397 199 I CB -0.714 36.856 38.000 -0.715 0.000 1.072 199 I HN 0.208 nan 8.210 nan 0.000 0.417 200 N N 0.364 118.983 118.700 -0.135 0.000 2.149 200 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 200 N C 0.917 176.415 175.510 -0.019 0.000 1.019 200 N CA 1.296 54.315 53.050 -0.052 0.000 0.857 200 N CB -0.319 38.142 38.487 -0.044 0.000 0.997 200 N HN 0.506 nan 8.380 nan 0.000 0.426 201 N N -0.072 118.609 118.700 -0.031 0.000 2.314 201 N HA 0.010 4.749 4.740 -0.000 0.000 0.200 201 N C -0.537 174.973 175.510 0.000 0.000 1.135 201 N CA -0.241 52.802 53.050 -0.012 0.000 0.835 201 N CB 0.489 38.965 38.487 -0.018 0.000 0.989 201 N HN -0.045 nan 8.380 nan 0.000 0.478 202 S N 1.462 117.170 115.700 0.013 0.000 2.420 202 S HA 0.068 4.537 4.470 -0.000 0.000 0.313 202 S C 1.253 175.907 174.600 0.089 0.000 1.079 202 S CA -0.841 57.388 58.200 0.049 0.000 1.104 202 S CB 0.631 63.869 63.200 0.063 0.000 0.969 202 S HN 0.184 nan 8.310 nan 0.000 0.471 203 E N 5.363 125.596 120.200 0.055 0.000 2.077 203 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 203 E C 1.135 177.765 176.600 0.050 0.000 0.989 203 E CA 1.546 57.972 56.400 0.044 0.000 0.800 203 E CB -0.719 28.995 29.700 0.024 0.000 0.746 203 E HN 0.872 nan 8.360 nan 0.000 0.452 204 E N 0.313 120.547 120.200 0.057 0.000 2.051 204 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 204 E C 1.948 178.584 176.600 0.060 0.000 0.991 204 E CA 1.182 57.610 56.400 0.046 0.000 0.799 204 E CB -0.496 29.232 29.700 0.045 0.000 0.748 204 E HN 0.235 nan 8.360 nan 0.000 0.449 205 F N 1.591 121.525 119.950 -0.027 0.000 2.126 205 F HA -0.207 4.320 4.527 -0.000 0.000 0.299 205 F C 2.281 178.065 175.800 -0.027 0.000 1.096 205 F CA 1.469 59.450 58.000 -0.031 0.000 1.255 205 F CB -0.317 38.661 39.000 -0.036 0.000 0.997 205 F HN -0.004 nan 8.300 nan 0.000 0.479 206 A N 0.127 123.032 122.820 0.141 0.000 1.940 206 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 206 A C 2.378 179.934 177.584 -0.048 0.000 1.176 206 A CA 1.773 53.840 52.037 0.050 0.000 0.631 206 A CB -1.498 17.543 19.000 0.068 0.000 0.814 206 A HN 0.497 nan 8.150 nan 0.000 0.446 207 A N -0.085 122.709 122.820 -0.043 0.000 1.855 207 A HA 0.175 4.494 4.320 -0.000 0.000 0.215 207 A C 2.538 180.056 177.584 -0.110 0.000 1.191 207 A CA 2.093 54.095 52.037 -0.058 0.000 0.613 207 A CB -1.128 17.852 19.000 -0.035 0.000 0.829 207 A HN 1.090 nan 8.150 nan 0.000 0.442 208 A N -0.652 122.065 122.820 -0.172 0.000 1.940 208 A HA -0.025 4.294 4.320 -0.000 0.000 0.219 208 A C 2.240 179.665 177.584 -0.265 0.000 1.176 208 A CA 1.848 53.750 52.037 -0.225 0.000 0.631 208 A CB -0.947 17.866 19.000 -0.311 0.000 0.814 208 A HN 0.391 nan 8.150 nan 0.000 0.446 209 V N 0.144 119.846 119.914 -0.353 0.000 2.343 209 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 209 V C 2.583 178.595 176.094 -0.136 0.000 1.051 209 V CA 2.487 64.619 62.300 -0.279 0.000 1.036 209 V CB -0.580 31.078 31.823 -0.274 0.000 0.654 209 V HN 0.705 nan 8.190 nan 0.000 0.451 210 K N 0.980 121.318 120.400 -0.102 0.000 2.097 210 K HA -0.216 4.104 4.320 -0.000 0.000 0.206 210 K C 2.164 178.731 176.600 -0.055 0.000 1.049 210 K CA 1.789 58.041 56.287 -0.059 0.000 0.933 210 K CB -0.382 32.094 32.500 -0.041 0.000 0.717 210 K HN 0.373 nan 8.250 nan 0.000 0.442 211 K N 0.530 120.890 120.400 -0.068 0.000 2.103 211 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 211 K C 1.383 177.954 176.600 -0.048 0.000 1.048 211 K CA 1.333 57.588 56.287 -0.054 0.000 0.930 211 K CB 0.002 32.465 32.500 -0.062 0.000 0.716 211 K HN 0.161 nan 8.250 nan 0.000 0.444 212 R N -0.770 119.692 120.500 -0.064 0.000 2.328 212 R HA 0.036 4.376 4.340 -0.000 0.000 0.200 212 R C 1.126 177.411 176.300 -0.025 0.000 0.983 212 R CA 0.573 56.645 56.100 -0.047 0.000 1.062 212 R CB 0.265 30.524 30.300 -0.068 0.000 0.956 212 R HN 0.543 nan 8.270 nan 0.000 0.479 213 G N 1.151 109.937 108.800 -0.023 0.000 2.254 213 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.225 213 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.225 213 G C 0.122 175.018 174.900 -0.007 0.000 1.003 213 G CA -0.476 44.619 45.100 -0.008 0.000 0.622 213 G HN 0.163 nan 8.290 nan 0.000 0.507 214 I N 3.094 123.656 120.570 -0.014 0.000 2.671 214 I HA 0.258 4.428 4.170 -0.000 0.000 0.285 214 I C 2.047 178.159 176.117 -0.009 0.000 1.148 214 I CA 1.291 62.587 61.300 -0.007 0.000 1.386 214 I CB 1.146 39.140 38.000 -0.009 0.000 1.406 214 I HN 0.383 nan 8.210 nan 0.000 0.540 215 T N 0.599 115.151 114.554 -0.003 0.000 2.978 215 T HA -0.023 4.327 4.350 -0.000 0.000 0.262 215 T C 0.772 175.472 174.700 -0.000 0.000 1.063 215 T CA 0.419 62.517 62.100 -0.003 0.000 1.140 215 T CB -0.003 68.865 68.868 -0.001 0.000 0.886 215 T HN 0.472 nan 8.240 nan 0.000 0.470 216 D N 0.996 121.398 120.400 0.003 0.000 2.472 216 D HA 0.594 5.234 4.640 -0.000 0.000 0.234 216 D C 0.990 177.299 176.300 0.014 0.000 1.088 216 D CA -0.333 53.670 54.000 0.006 0.000 0.882 216 D CB 1.153 41.954 40.800 0.003 0.000 1.037 216 D HN 0.253 nan 8.370 nan 0.000 0.520 217 A N 4.115 126.948 122.820 0.021 0.000 2.178 217 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 217 A C 1.725 179.334 177.584 0.042 0.000 1.157 217 A CA 0.986 53.049 52.037 0.044 0.000 0.689 217 A CB -0.176 18.861 19.000 0.062 0.000 0.787 217 A HN 0.540 nan 8.150 nan 0.000 0.465 218 K N -0.332 120.081 120.400 0.021 0.000 2.486 218 K HA 0.010 4.330 4.320 -0.000 0.000 0.194 218 K C 0.869 177.469 176.600 0.001 0.000 1.033 218 K CA 0.758 57.051 56.287 0.009 0.000 1.004 218 K CB 0.048 32.550 32.500 0.004 0.000 0.798 218 K HN 0.363 nan 8.250 nan 0.000 0.495 219 K N 1.083 121.486 120.400 0.006 0.000 2.410 219 K HA 0.124 4.444 4.320 -0.000 0.000 0.200 219 K C -0.377 176.226 176.600 0.005 0.000 1.023 219 K CA -0.122 56.164 56.287 -0.001 0.000 1.149 219 K CB 0.839 33.339 32.500 -0.000 0.000 0.859 219 K HN -0.135 nan 8.250 nan 0.000 0.514 220 V N 3.026 122.949 119.914 0.016 0.000 2.432 220 V HA 0.142 4.262 4.120 -0.000 0.000 0.271 220 V C -0.029 176.043 176.094 -0.037 0.000 1.046 220 V CA -0.438 61.883 62.300 0.034 0.000 0.945 220 V CB 0.964 32.859 31.823 0.119 0.000 0.992 220 V HN 0.143 nan 8.190 nan 0.000 0.471 221 I N 5.047 125.567 120.570 -0.083 0.000 2.339 221 I HA 0.345 4.515 4.170 -0.000 0.000 0.290 221 I C 0.696 176.712 176.117 -0.169 0.000 0.994 221 I CA -0.110 61.035 61.300 -0.257 0.000 1.191 221 I CB 1.528 39.115 38.000 -0.688 0.000 1.343 221 I HN 0.694 nan 8.210 nan 0.000 0.458 222 T N 1.951 116.402 114.554 -0.171 0.000 2.918 222 T HA 0.588 4.938 4.350 -0.000 0.000 0.283 222 T C 0.120 174.770 174.700 -0.084 0.000 1.001 222 T CA -0.509 61.522 62.100 -0.116 0.000 1.041 222 T CB 1.834 70.607 68.868 -0.159 0.000 1.028 222 T HN 0.549 nan 8.240 nan 0.000 0.511 223 T N 3.533 118.079 114.554 -0.015 0.000 3.031 223 T HA 0.499 4.849 4.350 -0.000 0.000 0.305 223 T C -2.914 171.783 174.700 -0.005 0.000 0.985 223 T CA -1.036 61.097 62.100 0.056 0.000 1.008 223 T CB 1.744 70.748 68.868 0.225 0.000 1.005 223 T HN 0.586 nan 8.240 nan 0.000 0.444 224 P HA 0.518 nan 4.420 nan 0.000 0.285 224 P C -1.162 176.169 177.300 0.052 0.000 1.259 224 P CA -0.507 62.488 63.100 -0.175 0.000 0.794 224 P CB 0.999 32.387 31.700 -0.519 0.000 0.940 225 L N 2.237 123.530 121.223 0.116 0.000 2.431 225 L HA 0.428 4.768 4.340 -0.000 0.000 0.266 225 L C 0.840 177.812 176.870 0.169 0.000 0.978 225 L CA -0.842 54.172 54.840 0.289 0.000 0.822 225 L CB 2.285 44.575 42.059 0.384 0.000 1.310 225 L HN 0.323 nan 8.230 nan 0.000 0.409 226 T N -1.588 113.071 114.554 0.175 0.000 2.918 226 T HA 0.169 4.519 4.350 -0.000 0.000 0.302 226 T C 1.096 175.860 174.700 0.108 0.000 1.045 226 T CA -0.425 61.704 62.100 0.049 0.000 1.114 226 T CB 1.554 70.422 68.868 -0.000 0.000 0.965 226 T HN 0.509 nan 8.240 nan 0.000 0.540 227 V N -0.457 119.462 119.914 0.007 0.000 3.406 227 V HA 0.489 4.609 4.120 -0.000 0.000 0.263 227 V C 1.329 177.525 176.094 0.169 0.000 1.172 227 V CA 0.727 63.032 62.300 0.008 0.000 1.140 227 V CB -1.745 29.993 31.823 -0.141 0.000 0.784 227 V HN 1.665 nan 8.190 nan 0.000 0.467 228 G N 0.214 109.073 108.800 0.098 0.000 2.553 228 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.242 228 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.242 228 G C -0.680 174.232 174.900 0.020 0.000 1.277 228 G CA 0.367 45.499 45.100 0.054 0.000 0.910 228 G HN 1.543 nan 8.290 nan 0.000 0.576 229 Y N -0.636 119.440 120.300 -0.374 0.000 2.401 229 Y HA 0.652 5.202 4.550 -0.000 0.000 0.330 229 Y C -0.675 174.704 175.900 -0.868 0.000 1.071 229 Y CA -1.530 56.298 58.100 -0.454 0.000 1.049 229 Y CB 1.158 39.361 38.460 -0.430 0.000 1.239 229 Y HN 0.553 nan 8.280 nan 0.000 0.437 230 F N 4.232 123.596 119.950 -0.977 0.000 2.835 230 F HA 0.229 4.756 4.527 -0.000 0.000 0.342 230 F C 0.553 175.684 175.800 -1.115 0.000 1.202 230 F CA -0.606 56.867 58.000 -0.878 0.000 1.240 230 F CB 0.414 39.267 39.000 -0.244 0.000 1.005 230 F HN 0.623 nan 8.300 nan 0.000 0.507 231 D N 1.101 120.345 120.400 -1.927 0.000 2.811 231 D HA -0.218 4.422 4.640 -0.000 0.000 0.231 231 D C 1.458 177.509 176.300 -0.414 0.000 1.157 231 D CA 1.571 54.920 54.000 -1.085 0.000 0.716 231 D CB -0.874 39.628 40.800 -0.497 0.000 1.077 231 D HN 0.768 nan 8.370 nan 0.000 0.428 232 G N -0.691 107.893 108.800 -0.360 0.000 2.225 232 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.254 232 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.254 232 G C 1.169 176.013 174.900 -0.094 0.000 0.988 232 G CA 0.592 45.607 45.100 -0.142 0.000 0.625 232 G HN 0.435 nan 8.290 nan 0.000 0.527 233 K N 1.126 121.471 120.400 -0.091 0.000 2.442 233 K HA -0.017 4.303 4.320 -0.000 0.000 0.198 233 K C 1.707 178.252 176.600 -0.092 0.000 1.044 233 K CA 1.536 57.787 56.287 -0.060 0.000 0.948 233 K CB -0.159 32.330 32.500 -0.019 0.000 0.762 233 K HN 0.742 nan 8.250 nan 0.000 0.472 234 D N -0.669 119.693 120.400 -0.064 0.000 2.349 234 D HA 0.053 4.693 4.640 -0.000 0.000 0.214 234 D C 1.057 177.332 176.300 -0.042 0.000 1.063 234 D CA 0.537 54.502 54.000 -0.059 0.000 0.847 234 D CB -0.061 40.747 40.800 0.014 0.000 0.933 234 D HN 0.162 nan 8.370 nan 0.000 0.513 235 G N 0.549 109.321 108.800 -0.047 0.000 2.153 235 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.252 235 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.252 235 G C -0.056 174.822 174.900 -0.037 0.000 0.994 235 G CA 0.345 45.420 45.100 -0.040 0.000 0.698 235 G HN 0.411 nan 8.290 nan 0.000 0.521 236 L N 0.162 121.364 121.223 -0.035 0.000 2.307 236 L HA 0.417 4.757 4.340 -0.000 0.000 0.282 236 L C 0.977 177.839 176.870 -0.014 0.000 1.051 236 L CA -0.935 53.886 54.840 -0.032 0.000 0.804 236 L CB 1.532 43.567 42.059 -0.041 0.000 1.197 236 L HN 0.196 nan 8.230 nan 0.000 0.431 237 K N 2.266 122.660 120.400 -0.010 0.000 2.416 237 K HA -0.052 4.268 4.320 -0.000 0.000 0.283 237 K C 0.739 177.358 176.600 0.032 0.000 1.037 237 K CA -0.231 56.062 56.287 0.009 0.000 0.995 237 K CB 0.972 33.474 32.500 0.003 0.000 0.938 237 K HN 0.483 nan 8.250 nan 0.000 0.475 238 Q N 2.666 122.500 119.800 0.057 0.000 2.291 238 Q HA -0.184 4.156 4.340 -0.000 0.000 0.206 238 Q C 0.988 177.078 176.000 0.150 0.000 0.976 238 Q CA 1.872 57.733 55.803 0.097 0.000 0.875 238 Q CB 0.047 28.845 28.738 0.100 0.000 0.927 238 Q HN 0.817 nan 8.270 nan 0.000 0.450 239 D N -1.229 119.221 120.400 0.084 0.000 2.367 239 D HA 0.088 4.728 4.640 -0.000 0.000 0.207 239 D C -0.305 176.016 176.300 0.036 0.000 1.034 239 D CA 0.336 54.361 54.000 0.041 0.000 0.861 239 D CB 0.206 41.000 40.800 -0.010 0.000 0.943 239 D HN 0.200 nan 8.370 nan 0.000 0.515 240 A N 0.963 123.820 122.820 0.062 0.000 2.340 240 A HA 0.369 4.689 4.320 -0.000 0.000 0.268 240 A C 0.370 178.000 177.584 0.077 0.000 1.100 240 A CA -0.502 51.550 52.037 0.025 0.000 0.803 240 A CB 0.443 19.442 19.000 -0.001 0.000 1.043 240 A HN 0.226 nan 8.150 nan 0.000 0.488 241 R N 2.317 122.827 120.500 0.016 0.000 2.248 241 R HA 0.481 4.821 4.340 -0.000 0.000 0.337 241 R C -1.199 175.087 176.300 -0.025 0.000 1.106 241 R CA -0.018 56.102 56.100 0.034 0.000 0.959 241 R CB -0.325 29.958 30.300 -0.030 0.000 1.075 241 R HN 0.682 nan 8.270 nan 0.000 0.480 242 L N 4.739 125.931 121.223 -0.052 0.000 2.303 242 L HA 0.663 5.003 4.340 -0.000 0.000 0.266 242 L C -0.534 176.270 176.870 -0.110 0.000 1.011 242 L CA -1.251 53.537 54.840 -0.087 0.000 0.818 242 L CB 1.819 43.820 42.059 -0.098 0.000 1.326 242 L HN 0.476 nan 8.230 nan 0.000 0.435 243 L N 0.839 121.989 121.223 -0.122 0.000 2.472 243 L HA 0.482 4.822 4.340 -0.000 0.000 0.260 243 L C -0.895 175.886 176.870 -0.148 0.000 0.963 243 L CA -0.710 54.055 54.840 -0.126 0.000 0.829 243 L CB 2.740 44.721 42.059 -0.131 0.000 1.348 243 L HN 0.517 nan 8.230 nan 0.000 0.408 244 K N 1.344 121.652 120.400 -0.153 0.000 2.123 244 K HA 0.719 5.039 4.320 -0.000 0.000 0.259 244 K C -1.221 175.325 176.600 -0.090 0.000 0.960 244 K CA -0.684 55.477 56.287 -0.211 0.000 0.872 244 K CB 2.451 34.645 32.500 -0.510 0.000 1.079 244 K HN 0.231 nan 8.250 nan 0.000 0.440 245 V N 4.351 124.211 119.914 -0.089 0.000 2.448 245 V HA 0.376 4.496 4.120 -0.000 0.000 0.295 245 V C -0.308 175.774 176.094 -0.020 0.000 1.025 245 V CA -0.956 61.306 62.300 -0.063 0.000 0.859 245 V CB 1.459 33.200 31.823 -0.137 0.000 0.988 245 V HN 0.614 nan 8.190 nan 0.000 0.431 246 I N 3.192 123.754 120.570 -0.012 0.000 2.460 246 I HA 0.575 4.745 4.170 -0.000 0.000 0.298 246 I C 0.296 176.336 176.117 -0.128 0.000 0.989 246 I CA 0.153 61.401 61.300 -0.086 0.000 1.173 246 I CB 2.080 40.017 38.000 -0.106 0.000 1.338 246 I HN 0.629 nan 8.210 nan 0.000 0.456 247 S N 5.291 120.848 115.700 -0.239 0.000 2.566 247 S HA 0.778 5.248 4.470 -0.000 0.000 0.298 247 S C -1.153 173.156 174.600 -0.484 0.000 1.083 247 S CA -0.525 57.559 58.200 -0.194 0.000 0.978 247 S CB 2.030 65.284 63.200 0.091 0.000 1.073 247 S HN 0.367 nan 8.310 nan 0.000 0.491 248 Y N 0.250 120.561 120.300 0.018 0.000 2.605 248 Y HA 0.652 5.202 4.550 -0.000 0.000 0.343 248 Y C -0.701 175.236 175.900 0.062 0.000 1.036 248 Y CA -1.160 56.988 58.100 0.081 0.000 1.065 248 Y CB 1.027 39.567 38.460 0.134 0.000 1.288 248 Y HN 0.471 nan 8.280 nan 0.000 0.481 249 L N 2.242 123.645 121.223 0.299 0.000 2.295 249 L HA 0.425 4.765 4.340 -0.000 0.000 0.285 249 L C -0.710 176.243 176.870 0.138 0.000 1.035 249 L CA -0.422 54.515 54.840 0.161 0.000 0.806 249 L CB 0.905 43.032 42.059 0.114 0.000 1.214 249 L HN 0.590 nan 8.230 nan 0.000 0.426 250 D N 3.375 123.810 120.400 0.059 0.000 2.339 250 D HA 0.145 4.785 4.640 -0.000 0.000 0.241 250 D C 0.628 176.904 176.300 -0.041 0.000 1.183 250 D CA -0.091 53.936 54.000 0.045 0.000 0.859 250 D CB 1.214 42.025 40.800 0.019 0.000 1.067 250 D HN 0.393 nan 8.370 nan 0.000 0.484 251 V N 1.551 121.384 119.914 -0.135 0.000 3.542 251 V HA 0.443 4.563 4.120 -0.000 0.000 0.296 251 V C 1.268 177.310 176.094 -0.087 0.000 1.364 251 V CA 0.301 62.493 62.300 -0.179 0.000 1.118 251 V CB -0.135 31.460 31.823 -0.379 0.000 0.972 251 V HN 0.702 nan 8.190 nan 0.000 0.430 252 G N 2.144 110.922 108.800 -0.037 0.000 2.141 252 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.242 252 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.242 252 G C 0.197 175.087 174.900 -0.017 0.000 0.982 252 G CA 0.464 45.553 45.100 -0.019 0.000 0.662 252 G HN 0.828 nan 8.290 nan 0.000 0.527 253 D N -0.473 119.929 120.400 0.003 0.000 2.363 253 D HA 0.391 5.031 4.640 -0.000 0.000 0.214 253 D C 1.759 178.009 176.300 -0.082 0.000 1.093 253 D CA 0.381 54.375 54.000 -0.010 0.000 0.837 253 D CB -0.473 40.368 40.800 0.068 0.000 0.948 253 D HN 1.485 nan 8.370 nan 0.000 0.507 254 G N 0.933 109.699 108.800 -0.056 0.000 2.168 254 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.263 254 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.263 254 G C 0.216 175.056 174.900 -0.100 0.000 0.977 254 G CA 0.294 45.327 45.100 -0.112 0.000 0.659 254 G HN 0.581 nan 8.290 nan 0.000 0.533 255 N N -0.052 118.665 118.700 0.027 0.000 2.791 255 N HA 0.384 5.123 4.740 -0.000 0.000 0.265 255 N C 1.075 176.677 175.510 0.153 0.000 1.580 255 N CA -0.478 52.650 53.050 0.129 0.000 0.809 255 N CB -0.111 38.468 38.487 0.154 0.000 1.178 255 N HN 0.368 nan 8.380 nan 0.000 0.499 256 Y N -0.623 119.733 120.300 0.093 0.000 2.384 256 Y HA -0.019 4.531 4.550 -0.000 0.000 0.289 256 Y C 1.111 176.961 175.900 -0.084 0.000 1.152 256 Y CA 0.655 58.785 58.100 0.051 0.000 1.258 256 Y CB -0.755 37.604 38.460 -0.168 0.000 0.979 256 Y HN 0.282 nan 8.280 nan 0.000 0.549 257 W N 1.139 122.184 121.300 -0.425 0.000 2.387 257 W HA -0.022 4.638 4.660 -0.000 0.000 0.272 257 W C 2.297 178.867 176.519 0.085 0.000 1.224 257 W CA 1.321 58.420 57.345 -0.410 0.000 1.210 257 W CB -0.290 28.934 29.460 -0.393 0.000 1.125 257 W HN 0.190 nan 8.180 nan 0.000 0.572 258 A N -0.791 122.156 122.820 0.213 0.000 2.278 258 A HA 0.038 4.358 4.320 -0.000 0.000 0.212 258 A C 0.201 177.610 177.584 -0.290 0.000 1.213 258 A CA 0.409 52.530 52.037 0.140 0.000 0.840 258 A CB -0.639 18.277 19.000 -0.140 0.000 0.866 258 A HN 0.321 nan 8.150 nan 0.000 0.489 259 H N 0.398 119.734 119.070 0.443 0.000 2.379 259 H HA 0.230 4.786 4.556 -0.000 0.000 0.229 259 H C -2.995 172.570 175.328 0.396 0.000 1.423 259 H CA -1.971 54.290 56.048 0.355 0.000 1.375 259 H CB 0.098 30.022 29.762 0.270 0.000 1.592 259 H HN 0.300 nan 8.280 nan 0.000 0.507 260 P HA 0.124 nan 4.420 nan 0.000 0.271 260 P C 0.403 177.740 177.300 0.062 0.000 1.218 260 P CA -0.172 63.027 63.100 0.166 0.000 0.780 260 P CB 1.654 33.459 31.700 0.175 0.000 0.901 261 I N 1.496 122.014 120.570 -0.086 0.000 2.479 261 I HA 0.179 4.349 4.170 -0.000 0.000 0.279 261 I C 0.816 176.896 176.117 -0.061 0.000 1.102 261 I CA -0.652 60.622 61.300 -0.043 0.000 1.196 261 I CB 0.302 38.270 38.000 -0.054 0.000 1.427 261 I HN 0.238 nan 8.210 nan 0.000 0.503 262 E N 4.091 124.294 120.200 0.005 0.000 2.413 262 E HA 0.029 4.379 4.350 -0.000 0.000 0.263 262 E C 0.319 176.940 176.600 0.036 0.000 1.015 262 E CA 0.736 57.164 56.400 0.047 0.000 0.916 262 E CB 0.201 29.969 29.700 0.113 0.000 0.947 262 E HN 0.510 nan 8.360 nan 0.000 0.440 263 N N 0.702 119.438 118.700 0.060 0.000 2.776 263 N HA -0.250 4.490 4.740 -0.000 0.000 0.250 263 N C -1.181 174.335 175.510 0.010 0.000 1.112 263 N CA 0.302 53.384 53.050 0.055 0.000 0.733 263 N CB -0.910 37.612 38.487 0.058 0.000 1.097 263 N HN 0.197 nan 8.380 nan 0.000 0.558 264 L N 0.807 122.019 121.223 -0.018 0.000 2.377 264 L HA 0.634 4.974 4.340 -0.000 0.000 0.270 264 L C -1.064 175.807 176.870 0.002 0.000 0.991 264 L CA -0.855 53.962 54.840 -0.038 0.000 0.851 264 L CB 1.708 43.707 42.059 -0.100 0.000 1.218 264 L HN -0.110 nan 8.230 nan 0.000 0.420 265 V N 4.227 124.152 119.914 0.019 0.000 2.638 265 V HA 0.917 5.037 4.120 -0.000 0.000 0.306 265 V C -0.010 176.101 176.094 0.029 0.000 1.052 265 V CA -0.387 61.923 62.300 0.018 0.000 0.885 265 V CB 1.498 33.306 31.823 -0.027 0.000 0.999 265 V HN 0.906 nan 8.190 nan 0.000 0.424 266 A N 3.973 126.817 122.820 0.040 0.000 2.355 266 A HA 0.912 5.232 4.320 -0.000 0.000 0.324 266 A C -0.902 176.631 177.584 -0.084 0.000 1.117 266 A CA -0.638 51.413 52.037 0.023 0.000 0.785 266 A CB 1.839 20.875 19.000 0.059 0.000 1.254 266 A HN 0.698 nan 8.150 nan 0.000 0.453 267 V N 2.587 122.446 119.914 -0.091 0.000 2.357 267 V HA 0.389 4.509 4.120 -0.000 0.000 0.284 267 V C -0.319 175.713 176.094 -0.102 0.000 1.018 267 V CA -0.445 61.779 62.300 -0.128 0.000 0.841 267 V CB 1.235 32.981 31.823 -0.129 0.000 0.991 267 V HN 0.640 nan 8.190 nan 0.000 0.437 268 V N 3.926 123.771 119.914 -0.114 0.000 2.472 268 V HA 0.399 4.519 4.120 -0.000 0.000 0.290 268 V C -0.147 175.894 176.094 -0.088 0.000 1.037 268 V CA -0.506 61.733 62.300 -0.101 0.000 0.908 268 V CB 1.988 33.740 31.823 -0.118 0.000 0.985 268 V HN 0.876 nan 8.190 nan 0.000 0.454 269 D N 4.067 124.425 120.400 -0.070 0.000 2.373 269 D HA 0.272 4.912 4.640 -0.000 0.000 0.227 269 D C 0.906 177.172 176.300 -0.056 0.000 1.091 269 D CA -0.251 53.714 54.000 -0.058 0.000 0.840 269 D CB 1.593 42.366 40.800 -0.045 0.000 1.060 269 D HN 0.426 nan 8.370 nan 0.000 0.502 270 L N 2.809 123.997 121.223 -0.059 0.000 2.191 270 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 270 L C 2.062 178.907 176.870 -0.042 0.000 1.103 270 L CA 0.747 55.555 54.840 -0.054 0.000 0.769 270 L CB -0.009 42.016 42.059 -0.057 0.000 0.908 270 L HN 0.386 nan 8.230 nan 0.000 0.438 271 E N -0.041 120.134 120.200 -0.042 0.000 2.170 271 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 271 E C 2.047 178.632 176.600 -0.024 0.000 0.981 271 E CA 0.804 57.184 56.400 -0.033 0.000 0.830 271 E CB 0.035 29.711 29.700 -0.040 0.000 0.775 271 E HN 0.609 nan 8.360 nan 0.000 0.470 272 Q N 0.393 120.177 119.800 -0.027 0.000 2.398 272 Q HA 0.067 4.407 4.340 -0.000 0.000 0.204 272 Q C -0.150 175.835 176.000 -0.024 0.000 0.932 272 Q CA 0.020 55.810 55.803 -0.022 0.000 0.916 272 Q CB 0.139 28.863 28.738 -0.023 0.000 1.024 272 Q HN 0.056 nan 8.270 nan 0.000 0.504 273 K N 1.527 121.909 120.400 -0.031 0.000 3.244 273 K HA -0.208 4.112 4.320 -0.000 0.000 0.270 273 K C -1.002 175.576 176.600 -0.037 0.000 1.016 273 K CA 0.820 57.087 56.287 -0.033 0.000 0.754 273 K CB -1.423 31.063 32.500 -0.023 0.000 1.326 273 K HN 0.352 nan 8.250 nan 0.000 0.465 274 K N -1.119 119.254 120.400 -0.044 0.000 2.597 274 K HA 0.400 4.720 4.320 -0.000 0.000 0.282 274 K C -0.767 175.803 176.600 -0.050 0.000 0.975 274 K CA -1.129 55.132 56.287 -0.043 0.000 0.867 274 K CB 1.133 33.616 32.500 -0.029 0.000 1.465 274 K HN 0.012 nan 8.250 nan 0.000 0.417 275 I N 2.736 123.277 120.570 -0.047 0.000 2.533 275 I HA -0.004 4.165 4.170 -0.000 0.000 0.284 275 I C 1.088 177.186 176.117 -0.031 0.000 1.109 275 I CA -0.472 60.801 61.300 -0.045 0.000 1.412 275 I CB 1.312 39.300 38.000 -0.021 0.000 1.396 275 I HN 0.599 nan 8.210 nan 0.000 0.543 276 V N 2.644 122.535 119.914 -0.039 0.000 3.427 276 V HA 0.382 4.502 4.120 -0.000 0.000 0.305 276 V C 0.241 176.317 176.094 -0.031 0.000 1.412 276 V CA 0.024 62.304 62.300 -0.033 0.000 1.086 276 V CB -0.454 31.346 31.823 -0.037 0.000 0.964 276 V HN 0.847 nan 8.190 nan 0.000 0.439 277 K N 0.481 120.864 120.400 -0.029 0.000 2.622 277 K HA 0.511 4.831 4.320 -0.000 0.000 0.263 277 K C -2.275 174.316 176.600 -0.015 0.000 0.947 277 K CA -0.596 55.675 56.287 -0.027 0.000 0.885 277 K CB 2.340 34.813 32.500 -0.044 0.000 1.362 277 K HN 0.250 nan 8.250 nan 0.000 0.413 278 I N 3.232 123.801 120.570 -0.001 0.000 2.466 278 I HA 0.289 4.459 4.170 -0.000 0.000 0.289 278 I C -0.690 175.425 176.117 -0.003 0.000 1.026 278 I CA -0.640 60.670 61.300 0.017 0.000 1.078 278 I CB 2.094 40.116 38.000 0.037 0.000 1.249 278 I HN 0.507 nan 8.210 nan 0.000 0.429 279 E N 6.221 126.419 120.200 -0.004 0.000 2.171 279 E HA 0.460 4.809 4.350 -0.000 0.000 0.271 279 E C -1.201 175.397 176.600 -0.002 0.000 0.916 279 E CA -0.706 55.692 56.400 -0.003 0.000 0.774 279 E CB 2.091 31.793 29.700 0.003 0.000 1.128 279 E HN 0.475 nan 8.360 nan 0.000 0.403 280 E N 1.329 121.526 120.200 -0.005 0.000 2.248 280 E HA 0.545 4.895 4.350 -0.000 0.000 0.267 280 E C -0.443 176.160 176.600 0.005 0.000 0.877 280 E CA -0.800 55.593 56.400 -0.012 0.000 0.759 280 E CB 2.266 31.947 29.700 -0.031 0.000 1.182 280 E HN 0.554 nan 8.360 nan 0.000 0.418 281 G N 1.996 110.803 108.800 0.012 0.000 3.175 281 G HA2 0.562 4.522 3.960 -0.000 0.000 0.255 281 G HA3 0.562 4.522 3.960 -0.000 0.000 0.255 281 G C -2.640 172.271 174.900 0.017 0.000 1.352 281 G CA -1.413 43.703 45.100 0.026 0.000 1.037 281 G HN 0.247 nan 8.290 nan 0.000 0.556 282 P HA 0.187 nan 4.420 nan 0.000 0.267 282 P C -0.327 176.981 177.300 0.015 0.000 1.201 282 P CA -0.287 62.824 63.100 0.018 0.000 0.775 282 P CB 0.641 32.355 31.700 0.023 0.000 0.854 283 V N 3.368 123.286 119.914 0.007 0.000 2.406 283 V HA 0.170 4.289 4.120 -0.000 0.000 0.272 283 V C 0.294 176.396 176.094 0.013 0.000 1.043 283 V CA -0.164 62.138 62.300 0.002 0.000 0.915 283 V CB 1.182 33.001 31.823 -0.007 0.000 0.988 283 V HN 0.210 nan 8.190 nan 0.000 0.466 284 V N 7.582 127.508 119.914 0.020 0.000 2.448 284 V HA 0.399 4.519 4.120 -0.000 0.000 0.295 284 V C -2.238 173.878 176.094 0.035 0.000 1.025 284 V CA -1.989 60.330 62.300 0.032 0.000 0.859 284 V CB 1.931 33.782 31.823 0.046 0.000 0.988 284 V HN 0.749 nan 8.190 nan 0.000 0.431 285 P HA 0.089 nan 4.420 nan 0.000 0.265 285 P C -0.304 177.037 177.300 0.069 0.000 1.193 285 P CA -0.006 63.121 63.100 0.044 0.000 0.765 285 P CB 0.366 32.091 31.700 0.042 0.000 0.823 286 V N 6.527 126.489 119.914 0.079 0.000 2.529 286 V HA 0.067 4.187 4.120 -0.000 0.000 0.292 286 V C -1.812 174.380 176.094 0.163 0.000 1.028 286 V CA -1.094 61.280 62.300 0.123 0.000 1.074 286 V CB -0.035 31.862 31.823 0.124 0.000 0.958 286 V HN 0.573 nan 8.190 nan 0.000 0.481 287 P HA 0.135 nan 4.420 nan 0.000 0.266 287 P C 0.483 177.998 177.300 0.359 0.000 1.215 287 P CA 0.174 63.413 63.100 0.233 0.000 0.763 287 P CB 0.415 32.237 31.700 0.204 0.000 0.806 288 M N 0.149 119.912 119.600 0.272 0.000 2.516 288 M HA 0.040 4.520 4.480 -0.000 0.000 0.259 288 M C 0.435 176.893 176.300 0.264 0.000 1.146 288 M CA 0.665 56.108 55.300 0.238 0.000 1.122 288 M CB -0.881 31.786 32.600 0.112 0.000 1.341 288 M HN 0.167 nan 8.290 nan 0.000 0.478 289 T N 2.853 117.574 114.554 0.277 0.000 2.866 289 T HA 0.201 4.551 4.350 -0.000 0.000 0.293 289 T C 0.472 175.373 174.700 0.335 0.000 1.005 289 T CA -0.146 62.104 62.100 0.251 0.000 1.162 289 T CB 0.276 69.280 68.868 0.227 0.000 0.968 289 T HN 0.359 nan 8.240 nan 0.000 0.530 290 A N 4.661 127.616 122.820 0.224 0.000 2.548 290 A HA 0.308 4.628 4.320 -0.000 0.000 0.247 290 A C 0.783 178.460 177.584 0.156 0.000 1.067 290 A CA -0.106 52.051 52.037 0.200 0.000 0.757 290 A CB 0.162 19.218 19.000 0.093 0.000 0.996 290 A HN 0.669 nan 8.150 nan 0.000 0.504 291 R N 2.797 123.379 120.500 0.135 0.000 2.674 291 R HA 0.265 4.605 4.340 -0.000 0.000 0.270 291 R C -3.073 173.185 176.300 -0.070 0.000 1.492 291 R CA -1.788 54.313 56.100 0.003 0.000 1.624 291 R CB 0.604 30.878 30.300 -0.043 0.000 1.307 291 R HN 0.517 nan 8.270 nan 0.000 0.683 292 P HA 0.072 nan 4.420 nan 0.000 0.271 292 P C 0.237 177.428 177.300 -0.182 0.000 1.218 292 P CA -0.084 62.894 63.100 -0.204 0.000 0.780 292 P CB 0.324 31.912 31.700 -0.187 0.000 0.901 293 F N -0.309 119.562 119.950 -0.132 0.000 2.706 293 F HA 0.251 4.778 4.527 -0.000 0.000 0.313 293 F C 0.956 176.693 175.800 -0.104 0.000 1.096 293 F CA -0.396 57.512 58.000 -0.153 0.000 1.219 293 F CB -0.761 38.119 39.000 -0.201 0.000 1.051 293 F HN 0.104 nan 8.300 nan 0.000 0.568 294 D N 0.278 120.465 120.400 -0.355 0.000 2.328 294 D HA 0.188 4.828 4.640 -0.000 0.000 0.226 294 D C 1.882 178.129 176.300 -0.087 0.000 1.066 294 D CA 0.552 54.447 54.000 -0.175 0.000 0.861 294 D CB -0.129 40.489 40.800 -0.303 0.000 0.912 294 D HN 0.484 nan 8.370 nan 0.000 0.521 295 G N 1.806 110.564 108.800 -0.070 0.000 2.179 295 G HA2 -0.464 3.496 3.960 -0.000 0.000 0.260 295 G HA3 -0.464 3.496 3.960 -0.000 0.000 0.260 295 G C 1.274 176.143 174.900 -0.051 0.000 0.977 295 G CA 0.568 45.641 45.100 -0.045 0.000 0.641 295 G HN 0.594 nan 8.290 nan 0.000 0.533 296 R N 0.587 121.042 120.500 -0.076 0.000 2.139 296 R HA -0.099 4.241 4.340 -0.000 0.000 0.243 296 R C 1.499 177.773 176.300 -0.042 0.000 1.145 296 R CA 2.050 58.113 56.100 -0.061 0.000 0.976 296 R CB -0.537 29.715 30.300 -0.079 0.000 0.866 296 R HN 0.471 nan 8.270 nan 0.000 0.449 297 D N -0.130 120.245 120.400 -0.042 0.000 2.388 297 D HA 0.096 4.736 4.640 -0.000 0.000 0.221 297 D C -0.052 176.238 176.300 -0.017 0.000 1.133 297 D CA -0.240 53.745 54.000 -0.025 0.000 0.831 297 D CB 0.259 41.045 40.800 -0.022 0.000 0.962 297 D HN 0.090 nan 8.370 nan 0.000 0.502 298 R N -0.366 120.122 120.500 -0.019 0.000 2.888 298 R HA 0.696 5.036 4.340 -0.000 0.000 0.264 298 R C -1.015 175.280 176.300 -0.009 0.000 1.045 298 R CA -1.019 55.074 56.100 -0.011 0.000 0.962 298 R CB 2.226 32.519 30.300 -0.012 0.000 1.210 298 R HN -0.137 nan 8.270 nan 0.000 0.479 299 V N 0.745 120.656 119.914 -0.004 0.000 2.524 299 V HA 0.465 4.585 4.120 -0.000 0.000 0.297 299 V C -0.097 175.997 176.094 -0.001 0.000 1.035 299 V CA -1.075 61.224 62.300 -0.002 0.000 0.867 299 V CB 1.547 33.370 31.823 -0.000 0.000 1.004 299 V HN 0.934 nan 8.190 nan 0.000 0.426 300 A N 6.047 128.867 122.820 -0.001 0.000 2.351 300 A HA 0.835 5.155 4.320 -0.000 0.000 0.257 300 A C -2.173 175.412 177.584 0.002 0.000 1.087 300 A CA -1.064 50.974 52.037 0.001 0.000 0.798 300 A CB -0.157 18.843 19.000 0.000 0.000 1.033 300 A HN 0.722 nan 8.150 nan 0.000 0.488 301 P HA 0.422 nan 4.420 nan 0.000 0.271 301 P C -0.185 177.117 177.300 0.004 0.000 1.216 301 P CA -0.018 63.084 63.100 0.004 0.000 0.776 301 P CB 0.782 32.485 31.700 0.005 0.000 0.881 302 A N 2.433 125.256 122.820 0.004 0.000 2.425 302 A HA 0.435 4.755 4.320 -0.000 0.000 0.242 302 A C -0.216 177.370 177.584 0.004 0.000 1.077 302 A CA -0.043 51.997 52.037 0.004 0.000 0.781 302 A CB 0.139 19.142 19.000 0.005 0.000 1.020 302 A HN 0.396 nan 8.150 nan 0.000 0.494 303 V N 2.115 122.032 119.914 0.004 0.000 2.709 303 V HA 0.310 4.430 4.120 -0.000 0.000 0.308 303 V C -0.088 176.008 176.094 0.004 0.000 1.062 303 V CA -0.941 61.361 62.300 0.004 0.000 0.901 303 V CB 1.975 33.800 31.823 0.003 0.000 1.003 303 V HN 0.965 nan 8.190 nan 0.000 0.425 304 K N 4.846 125.247 120.400 0.003 0.000 2.355 304 K HA 0.377 4.697 4.320 -0.000 0.000 0.270 304 K C -2.196 174.406 176.600 0.004 0.000 1.003 304 K CA -1.038 55.250 56.287 0.003 0.000 0.957 304 K CB 0.354 32.854 32.500 -0.000 0.000 0.939 304 K HN 0.469 nan 8.250 nan 0.000 0.482 305 P HA 0.042 nan 4.420 nan 0.000 0.269 305 P C -0.953 176.353 177.300 0.009 0.000 1.209 305 P CA -0.072 63.034 63.100 0.011 0.000 0.776 305 P CB 0.637 32.346 31.700 0.016 0.000 0.876 306 M N 1.934 121.541 119.600 0.011 0.000 2.324 306 M HA 0.293 4.773 4.480 -0.000 0.000 0.288 306 M C -1.691 174.620 176.300 0.018 0.000 1.097 306 M CA -0.326 54.980 55.300 0.011 0.000 0.928 306 M CB 2.221 34.824 32.600 0.005 0.000 1.648 306 M HN 0.333 nan 8.290 nan 0.000 0.460 307 Q N 4.468 124.284 119.800 0.027 0.000 2.421 307 Q HA 0.640 4.980 4.340 -0.000 0.000 0.280 307 Q C -1.383 174.643 176.000 0.044 0.000 1.085 307 Q CA -0.838 54.991 55.803 0.043 0.000 0.807 307 Q CB 3.402 32.181 28.738 0.069 0.000 1.405 307 Q HN 0.744 nan 8.270 nan 0.000 0.419 308 I N 3.573 124.175 120.570 0.053 0.000 2.390 308 I HA 0.409 4.579 4.170 -0.000 0.000 0.283 308 I C -0.378 175.789 176.117 0.083 0.000 1.016 308 I CA -0.625 60.708 61.300 0.054 0.000 1.151 308 I CB 0.657 38.687 38.000 0.049 0.000 1.293 308 I HN 0.509 nan 8.210 nan 0.000 0.458 309 I N 2.419 123.030 120.570 0.070 0.000 2.693 309 I HA 0.606 4.776 4.170 -0.000 0.000 0.303 309 I C -0.618 175.484 176.117 -0.026 0.000 1.025 309 I CA -0.521 60.823 61.300 0.074 0.000 1.086 309 I CB 2.123 40.180 38.000 0.094 0.000 1.268 309 I HN 0.468 nan 8.210 nan 0.000 0.440 310 E N 5.056 125.215 120.200 -0.068 0.000 3.108 310 E HA 0.243 4.593 4.350 -0.000 0.000 0.228 310 E C -2.097 174.334 176.600 -0.281 0.000 1.176 310 E CA -1.534 54.800 56.400 -0.110 0.000 0.881 310 E CB 1.163 30.857 29.700 -0.011 0.000 1.354 310 E HN 0.554 nan 8.360 nan 0.000 0.400 311 P HA -0.180 nan 4.420 nan 0.000 0.221 311 P C 0.337 177.439 177.300 -0.330 0.000 1.145 311 P CA 1.189 63.739 63.100 -0.918 0.000 0.795 311 P CB 0.364 31.587 31.700 -0.794 0.000 0.775 312 E N -0.635 119.457 120.200 -0.180 0.000 2.558 312 E HA 0.388 4.738 4.350 -0.000 0.000 0.205 312 E C 0.753 177.325 176.600 -0.047 0.000 1.006 312 E CA -0.108 56.245 56.400 -0.078 0.000 0.961 312 E CB 0.313 29.975 29.700 -0.063 0.000 1.044 312 E HN 0.179 nan 8.360 nan 0.000 0.465 313 G N 1.314 110.088 108.800 -0.042 0.000 2.631 313 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.504 313 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.504 313 G C -0.857 173.985 174.900 -0.096 0.000 1.306 313 G CA -1.006 44.071 45.100 -0.040 0.000 0.897 313 G HN -0.047 nan 8.290 nan 0.000 0.520 314 K N -0.059 120.221 120.400 -0.201 0.000 2.090 314 K HA 0.416 4.736 4.320 -0.000 0.000 0.249 314 K C 1.183 177.634 176.600 -0.248 0.000 0.995 314 K CA -0.645 55.418 56.287 -0.374 0.000 0.914 314 K CB 0.666 32.552 32.500 -1.023 0.000 1.057 314 K HN 0.549 nan 8.250 nan 0.000 0.462 315 N N -0.342 118.292 118.700 -0.111 0.000 2.422 315 N HA -0.017 4.723 4.740 -0.000 0.000 0.181 315 N C -0.482 175.161 175.510 0.223 0.000 1.080 315 N CA 0.195 53.307 53.050 0.104 0.000 0.893 315 N CB -0.001 38.636 38.487 0.251 0.000 0.973 315 N HN 0.477 nan 8.380 nan 0.000 0.456 316 Y N -1.414 119.035 120.300 0.247 0.000 2.419 316 Y HA 0.696 5.246 4.550 -0.000 0.000 0.328 316 Y C -0.078 175.842 175.900 0.033 0.000 1.162 316 Y CA -1.114 57.093 58.100 0.178 0.000 1.174 316 Y CB 0.743 39.246 38.460 0.071 0.000 1.228 316 Y HN -0.338 nan 8.280 nan 0.000 0.473 317 T N 3.741 118.418 114.554 0.206 0.000 2.863 317 T HA 0.594 4.944 4.350 -0.000 0.000 0.285 317 T C -0.759 173.935 174.700 -0.011 0.000 1.009 317 T CA -0.631 61.500 62.100 0.052 0.000 0.989 317 T CB 0.923 69.833 68.868 0.069 0.000 1.004 317 T HN 0.595 nan 8.240 nan 0.000 0.455 318 I N 2.722 123.207 120.570 -0.143 0.000 2.411 318 I HA 0.295 4.465 4.170 -0.000 0.000 0.284 318 I C -0.127 175.981 176.117 -0.014 0.000 1.012 318 I CA -0.584 60.618 61.300 -0.162 0.000 1.119 318 I CB 1.651 39.434 38.000 -0.361 0.000 1.261 318 I HN 0.511 nan 8.210 nan 0.000 0.448 319 T N 5.207 119.769 114.554 0.013 0.000 2.874 319 T HA 0.538 4.888 4.350 -0.000 0.000 0.321 319 T C 0.770 175.514 174.700 0.073 0.000 1.075 319 T CA 0.198 62.339 62.100 0.067 0.000 0.966 319 T CB 1.232 70.135 68.868 0.058 0.000 1.001 319 T HN 1.047 nan 8.240 nan 0.000 0.476 320 G N 3.949 112.810 108.800 0.101 0.000 2.557 320 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.292 320 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.292 320 G C 0.258 175.166 174.900 0.013 0.000 1.162 320 G CA 0.362 45.504 45.100 0.071 0.000 0.964 320 G HN 0.621 nan 8.290 nan 0.000 0.541 321 D N 1.028 121.380 120.400 -0.080 0.000 2.469 321 D HA 0.236 4.876 4.640 -0.000 0.000 0.215 321 D C 0.861 176.934 176.300 -0.379 0.000 1.154 321 D CA -0.002 53.824 54.000 -0.291 0.000 0.832 321 D CB 0.341 40.815 40.800 -0.543 0.000 1.008 321 D HN 0.330 nan 8.370 nan 0.000 0.506 322 M N 1.478 120.979 119.600 -0.165 0.000 2.105 322 M HA 0.286 4.766 4.480 -0.000 0.000 0.350 322 M C -0.136 176.030 176.300 -0.223 0.000 1.308 322 M CA 0.160 55.382 55.300 -0.130 0.000 1.108 322 M CB 1.484 34.130 32.600 0.077 0.000 1.622 322 M HN -0.267 nan 8.290 nan 0.000 0.468 323 I N 3.316 123.600 120.570 -0.475 0.000 2.354 323 I HA 0.280 4.450 4.170 -0.000 0.000 0.292 323 I C -0.156 175.729 176.117 -0.386 0.000 0.989 323 I CA -0.589 60.373 61.300 -0.563 0.000 1.188 323 I CB 1.017 38.378 38.000 -1.065 0.000 1.342 323 I HN 0.603 nan 8.210 nan 0.000 0.457 324 H N 6.505 125.474 119.070 -0.168 0.000 2.505 324 H HA 0.288 4.844 4.556 -0.000 0.000 0.338 324 H C -2.140 173.300 175.328 0.186 0.000 1.057 324 H CA -0.615 55.432 56.048 -0.002 0.000 1.202 324 H CB 1.778 31.547 29.762 0.012 0.000 1.466 324 H HN 0.739 nan 8.280 nan 0.000 0.499 325 W N 8.864 129.816 121.300 -0.580 0.000 3.216 325 W HA 0.298 4.958 4.660 -0.000 0.000 0.335 325 W C -0.532 175.835 176.519 -0.254 0.000 1.077 325 W CA -0.481 56.690 57.345 -0.291 0.000 1.252 325 W CB 0.525 29.968 29.460 -0.027 0.000 1.312 325 W HN 0.894 nan 8.180 nan 0.000 0.446 326 R N 2.653 122.682 120.500 -0.786 0.000 3.869 326 R HA -0.375 3.965 4.340 -0.000 0.000 0.424 326 R C 0.577 176.566 176.300 -0.518 0.000 0.241 326 R CA 2.014 57.687 56.100 -0.712 0.000 1.351 326 R CB -1.299 28.382 30.300 -1.032 0.000 0.979 326 R HN 0.790 nan 8.270 nan 0.000 0.572 327 N N -0.182 118.166 118.700 -0.587 0.000 2.398 327 N HA 0.065 4.805 4.740 -0.000 0.000 0.188 327 N C -0.112 174.991 175.510 -0.679 0.000 1.122 327 N CA -0.040 52.568 53.050 -0.737 0.000 0.866 327 N CB 0.103 37.804 38.487 -1.310 0.000 0.970 327 N HN 0.205 nan 8.380 nan 0.000 0.462 328 W N 1.293 122.442 121.300 -0.252 0.000 2.375 328 W HA 0.370 5.029 4.660 -0.000 0.000 0.336 328 W C -0.112 176.434 176.519 0.045 0.000 1.160 328 W CA -0.522 56.839 57.345 0.027 0.000 1.266 328 W CB 0.954 30.570 29.460 0.259 0.000 1.195 328 W HN -0.179 nan 8.180 nan 0.000 0.599 329 D N 2.138 122.841 120.400 0.505 0.000 2.990 329 D HA 0.404 5.044 4.640 -0.000 0.000 0.227 329 D C -1.139 175.409 176.300 0.412 0.000 1.249 329 D CA -0.312 53.881 54.000 0.322 0.000 0.891 329 D CB 2.241 43.221 40.800 0.299 0.000 1.647 329 D HN 0.242 nan 8.370 nan 0.000 0.530 330 F N -1.089 118.910 119.950 0.083 0.000 2.773 330 F HA 0.397 4.924 4.527 -0.000 0.000 0.314 330 F C -1.529 174.254 175.800 -0.030 0.000 1.160 330 F CA -1.018 56.997 58.000 0.025 0.000 0.920 330 F CB 1.631 40.578 39.000 -0.088 0.000 1.323 330 F HN 0.183 nan 8.300 nan 0.000 0.457 331 H N 2.137 121.198 119.070 -0.016 0.000 2.489 331 H HA 0.656 5.212 4.556 -0.000 0.000 0.343 331 H C -2.001 173.230 175.328 -0.161 0.000 1.086 331 H CA -0.749 55.148 56.048 -0.251 0.000 1.198 331 H CB 2.105 31.523 29.762 -0.573 0.000 1.490 331 H HN 0.833 nan 8.280 nan 0.000 0.504 332 L N 5.281 126.167 121.223 -0.562 0.000 2.298 332 L HA 0.356 4.696 4.340 -0.000 0.000 0.284 332 L C -0.796 175.782 176.870 -0.487 0.000 1.013 332 L CA -0.152 54.466 54.840 -0.369 0.000 0.824 332 L CB 1.127 43.061 42.059 -0.208 0.000 1.221 332 L HN 0.680 nan 8.230 nan 0.000 0.418 333 S N 4.199 119.702 115.700 -0.327 0.000 2.667 333 S HA 0.854 5.324 4.470 -0.000 0.000 0.292 333 S C -0.692 173.773 174.600 -0.225 0.000 1.126 333 S CA -0.921 57.142 58.200 -0.228 0.000 0.881 333 S CB 1.732 64.894 63.200 -0.064 0.000 1.132 333 S HN 0.633 nan 8.310 nan 0.000 0.492 334 M N 2.473 121.967 119.600 -0.176 0.000 2.456 334 M HA 0.512 4.992 4.480 -0.000 0.000 0.324 334 M C -1.106 175.108 176.300 -0.143 0.000 1.124 334 M CA -0.520 54.663 55.300 -0.196 0.000 0.959 334 M CB 1.702 34.218 32.600 -0.140 0.000 1.692 334 M HN 0.876 nan 8.290 nan 0.000 0.444 335 N N 1.226 119.828 118.700 -0.162 0.000 2.314 335 N HA 0.262 5.002 4.740 -0.000 0.000 0.294 335 N C 0.090 175.569 175.510 -0.053 0.000 1.029 335 N CA 0.122 53.117 53.050 -0.091 0.000 0.845 335 N CB 1.684 40.119 38.487 -0.087 0.000 1.321 335 N HN 0.872 nan 8.380 nan 0.000 0.481 336 S N 3.346 119.048 115.700 0.003 0.000 2.419 336 S HA -0.140 4.330 4.470 -0.000 0.000 0.233 336 S C 1.723 176.363 174.600 0.067 0.000 1.016 336 S CA 0.690 58.919 58.200 0.049 0.000 0.974 336 S CB 0.025 63.264 63.200 0.064 0.000 0.786 336 S HN 0.723 nan 8.310 nan 0.000 0.492 337 R N 1.025 121.546 120.500 0.035 0.000 2.048 337 R HA 0.066 4.406 4.340 -0.000 0.000 0.224 337 R C 2.140 178.470 176.300 0.050 0.000 1.163 337 R CA 1.583 57.697 56.100 0.023 0.000 0.956 337 R CB -0.263 30.001 30.300 -0.061 0.000 0.849 337 R HN 0.454 nan 8.270 nan 0.000 0.435 338 V N -1.621 118.305 119.914 0.020 0.000 3.647 338 V HA 0.438 4.558 4.120 -0.000 0.000 0.279 338 V C 0.790 176.731 176.094 -0.255 0.000 1.314 338 V CA 0.412 62.705 62.300 -0.013 0.000 1.125 338 V CB -0.221 31.619 31.823 0.028 0.000 0.907 338 V HN 0.704 nan 8.190 nan 0.000 0.434 339 G N 1.281 109.862 108.800 -0.365 0.000 2.496 339 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.243 339 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.243 339 G C -2.639 171.778 174.900 -0.805 0.000 1.176 339 G CA -0.204 44.311 45.100 -0.974 0.000 0.940 339 G HN 0.601 nan 8.290 nan 0.000 0.573 340 P HA 0.370 nan 4.420 nan 0.000 0.268 340 P C -0.392 176.559 177.300 -0.582 0.000 1.204 340 P CA 0.536 63.225 63.100 -0.684 0.000 0.768 340 P CB 0.523 31.843 31.700 -0.633 0.000 0.842 341 M N 3.766 123.078 119.600 -0.481 0.000 2.253 341 M HA 0.402 4.882 4.480 -0.000 0.000 0.314 341 M C -0.387 175.649 176.300 -0.441 0.000 1.019 341 M CA -0.868 54.165 55.300 -0.444 0.000 0.932 341 M CB 2.043 34.464 32.600 -0.299 0.000 1.606 341 M HN 0.120 nan 8.290 nan 0.000 0.430 342 I N 2.651 122.892 120.570 -0.548 0.000 2.312 342 I HA 0.453 4.623 4.170 -0.000 0.000 0.290 342 I C -0.010 175.941 176.117 -0.276 0.000 1.008 342 I CA -0.052 61.007 61.300 -0.402 0.000 1.226 342 I CB 0.915 38.570 38.000 -0.575 0.000 1.371 342 I HN 0.633 nan 8.210 nan 0.000 0.468 343 S N 2.777 118.384 115.700 -0.154 0.000 2.667 343 S HA 0.498 4.967 4.470 -0.000 0.000 0.292 343 S C 0.039 174.540 174.600 -0.165 0.000 1.126 343 S CA -0.655 57.377 58.200 -0.280 0.000 0.881 343 S CB 1.818 64.769 63.200 -0.415 0.000 1.132 343 S HN 0.799 nan 8.310 nan 0.000 0.492 344 T N -1.443 112.863 114.554 -0.413 0.000 3.473 344 T HA -0.155 4.195 4.350 -0.000 0.000 0.403 344 T C -0.091 174.728 174.700 0.197 0.000 0.768 344 T CA 0.078 61.950 62.100 -0.380 0.000 2.009 344 T CB -2.489 66.248 68.868 -0.219 0.000 1.715 344 T HN 0.503 nan 8.240 nan 0.000 0.666 345 V N 2.552 122.658 119.914 0.320 0.000 2.455 345 V HA 0.641 4.761 4.120 -0.000 0.000 0.273 345 V C 1.135 177.615 176.094 0.642 0.000 1.045 345 V CA 0.185 62.785 62.300 0.500 0.000 0.976 345 V CB 0.968 33.033 31.823 0.403 0.000 0.993 345 V HN 1.022 nan 8.190 nan 0.000 0.475 346 T N 2.030 116.959 114.554 0.625 0.000 2.906 346 T HA 0.638 4.988 4.350 -0.000 0.000 0.295 346 T C -1.211 173.755 174.700 0.442 0.000 1.075 346 T CA -0.760 61.644 62.100 0.506 0.000 1.005 346 T CB 1.895 71.004 68.868 0.402 0.000 1.136 346 T HN 0.405 nan 8.240 nan 0.000 0.498 347 Y N 1.511 121.918 120.300 0.178 0.000 2.328 347 Y HA 0.471 5.021 4.550 -0.000 0.000 0.336 347 Y C 0.058 175.999 175.900 0.069 0.000 0.960 347 Y CA -1.084 56.986 58.100 -0.050 0.000 1.134 347 Y CB 1.397 39.773 38.460 -0.139 0.000 1.166 347 Y HN 0.922 nan 8.280 nan 0.000 0.464 348 N N 4.763 123.349 118.700 -0.191 0.000 2.415 348 N HA -0.004 4.736 4.740 -0.000 0.000 0.250 348 N C -1.279 174.310 175.510 0.132 0.000 1.127 348 N CA -0.261 52.783 53.050 -0.010 0.000 0.945 348 N CB 0.169 38.615 38.487 -0.069 0.000 1.196 348 N HN 0.572 nan 8.380 nan 0.000 0.499 349 D N 3.276 123.861 120.400 0.309 0.000 2.411 349 D HA 0.055 4.695 4.640 -0.000 0.000 0.225 349 D C 0.041 176.444 176.300 0.171 0.000 1.156 349 D CA -0.153 54.065 54.000 0.363 0.000 0.874 349 D CB -0.086 40.924 40.800 0.349 0.000 1.034 349 D HN 0.670 nan 8.370 nan 0.000 0.502 350 N N 3.470 122.248 118.700 0.130 0.000 2.708 350 N HA -0.273 4.467 4.740 -0.000 0.000 0.251 350 N C 0.900 176.436 175.510 0.043 0.000 1.017 350 N CA 1.911 55.000 53.050 0.064 0.000 0.742 350 N CB -0.988 37.533 38.487 0.057 0.000 0.943 350 N HN 0.742 nan 8.380 nan 0.000 0.539 351 G N -3.151 105.672 108.800 0.040 0.000 2.213 351 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.226 351 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.226 351 G C 0.115 175.034 174.900 0.032 0.000 0.992 351 G CA 0.235 45.351 45.100 0.026 0.000 0.632 351 G HN 0.679 nan 8.290 nan 0.000 0.511 352 T N 1.870 116.454 114.554 0.050 0.000 2.786 352 T HA 0.524 4.874 4.350 -0.000 0.000 0.283 352 T C -0.049 174.697 174.700 0.078 0.000 0.992 352 T CA -0.498 61.630 62.100 0.045 0.000 0.954 352 T CB 1.746 70.629 68.868 0.025 0.000 0.934 352 T HN 0.279 nan 8.240 nan 0.000 0.440 353 K N 3.549 123.993 120.400 0.073 0.000 2.349 353 K HA 0.270 4.589 4.320 -0.000 0.000 0.289 353 K C 0.169 176.827 176.600 0.097 0.000 1.064 353 K CA -0.080 56.273 56.287 0.110 0.000 0.947 353 K CB 0.693 33.263 32.500 0.116 0.000 1.007 353 K HN 0.373 nan 8.250 nan 0.000 0.478 354 R N 2.874 123.473 120.500 0.164 0.000 2.445 354 R HA 0.213 4.553 4.340 -0.000 0.000 0.308 354 R C -0.448 175.967 176.300 0.192 0.000 0.961 354 R CA -0.857 55.328 56.100 0.141 0.000 0.862 354 R CB 1.572 31.969 30.300 0.162 0.000 1.144 354 R HN 0.352 nan 8.270 nan 0.000 0.447 355 K N 1.264 121.672 120.400 0.012 0.000 2.448 355 K HA 0.039 4.359 4.320 -0.000 0.000 0.278 355 K C 0.271 176.982 176.600 0.186 0.000 1.009 355 K CA -0.097 56.164 56.287 -0.043 0.000 0.995 355 K CB 0.901 33.136 32.500 -0.442 0.000 0.917 355 K HN 0.319 nan 8.250 nan 0.000 0.481 356 V N 2.077 122.144 119.914 0.255 0.000 3.161 356 V HA 0.157 4.277 4.120 -0.000 0.000 0.221 356 V C -0.044 176.110 176.094 0.100 0.000 1.296 356 V CA 0.055 62.400 62.300 0.075 0.000 1.306 356 V CB 0.413 32.289 31.823 0.089 0.000 1.171 356 V HN 0.761 nan 8.190 nan 0.000 0.513 357 M N -1.247 118.528 119.600 0.290 0.000 2.271 357 M HA 0.369 4.849 4.480 -0.000 0.000 0.285 357 M C -0.095 176.395 176.300 0.316 0.000 1.059 357 M CA -0.583 54.860 55.300 0.237 0.000 0.940 357 M CB 2.254 34.896 32.600 0.071 0.000 1.636 357 M HN 0.284 nan 8.290 nan 0.000 0.460 358 Y N 3.822 124.223 120.300 0.169 0.000 2.153 358 Y HA 0.167 4.716 4.550 -0.000 0.000 0.289 358 Y C -0.301 175.470 175.900 -0.216 0.000 1.127 358 Y CA 1.699 59.724 58.100 -0.125 0.000 1.131 358 Y CB 0.540 38.925 38.460 -0.126 0.000 0.995 358 Y HN 0.633 nan 8.280 nan 0.000 0.505 359 E N -1.373 118.673 120.200 -0.256 0.000 2.352 359 E HA 0.527 4.877 4.350 -0.000 0.000 0.280 359 E C -1.237 175.241 176.600 -0.204 0.000 0.930 359 E CA -0.346 55.844 56.400 -0.350 0.000 0.765 359 E CB 1.910 31.391 29.700 -0.365 0.000 1.219 359 E HN 0.263 nan 8.360 nan 0.000 0.434 360 G N 0.679 109.328 108.800 -0.252 0.000 2.682 360 G HA2 0.684 4.644 3.960 -0.000 0.000 0.300 360 G HA3 0.684 4.644 3.960 -0.000 0.000 0.300 360 G C -0.937 173.767 174.900 -0.326 0.000 1.391 360 G CA -0.347 44.653 45.100 -0.166 0.000 0.990 360 G HN 0.543 nan 8.290 nan 0.000 0.501 361 S N 0.274 115.971 115.700 -0.005 0.000 2.643 361 S HA 0.576 5.045 4.470 -0.000 0.000 0.266 361 S C -1.280 173.553 174.600 0.389 0.000 1.130 361 S CA -0.813 57.389 58.200 0.003 0.000 0.817 361 S CB 0.989 64.084 63.200 -0.175 0.000 1.107 361 S HN 1.678 nan 8.310 nan 0.000 0.471 362 L N 1.943 123.355 121.223 0.315 0.000 2.456 362 L HA 0.660 5.000 4.340 -0.000 0.000 0.272 362 L C 1.206 178.113 176.870 0.062 0.000 1.189 362 L CA 1.305 56.252 54.840 0.179 0.000 0.846 362 L CB 0.382 42.399 42.059 -0.070 0.000 1.111 362 L HN 1.019 nan 8.230 nan 0.000 0.475 363 G N 2.745 111.549 108.800 0.008 0.000 2.471 363 G HA2 0.487 4.447 3.960 -0.000 0.000 0.211 363 G HA3 0.487 4.447 3.960 -0.000 0.000 0.211 363 G C 0.357 175.314 174.900 0.095 0.000 1.194 363 G CA 0.469 45.616 45.100 0.080 0.000 0.816 363 G HN 1.120 nan 8.290 nan 0.000 0.545 364 G N -1.047 107.710 108.800 -0.071 0.000 2.523 364 G HA2 0.574 4.534 3.960 -0.000 0.000 0.291 364 G HA3 0.574 4.534 3.960 -0.000 0.000 0.291 364 G C -1.101 173.730 174.900 -0.116 0.000 1.450 364 G CA -0.322 44.717 45.100 -0.102 0.000 0.790 364 G HN 0.817 nan 8.290 nan 0.000 0.496 365 M N -0.859 118.748 119.600 0.011 0.000 2.578 365 M HA 0.901 5.381 4.480 -0.000 0.000 0.276 365 M C -1.945 174.458 176.300 0.172 0.000 1.245 365 M CA -1.063 54.301 55.300 0.107 0.000 0.871 365 M CB 2.623 35.265 32.600 0.069 0.000 1.722 365 M HN 0.838 nan 8.290 nan 0.000 0.473 366 I N 1.380 122.036 120.570 0.145 0.000 2.752 366 I HA 0.679 4.849 4.170 -0.000 0.000 0.295 366 I C -1.848 174.286 176.117 0.029 0.000 1.219 366 I CA -0.645 60.729 61.300 0.124 0.000 1.030 366 I CB 2.633 40.708 38.000 0.124 0.000 1.259 366 I HN 0.637 nan 8.210 nan 0.000 0.423 367 V N 8.345 128.314 119.914 0.092 0.000 2.320 367 V HA 0.453 4.573 4.120 -0.000 0.000 0.268 367 V C -2.430 173.678 176.094 0.024 0.000 1.021 367 V CA -1.120 61.191 62.300 0.017 0.000 0.813 367 V CB 0.780 32.715 31.823 0.186 0.000 1.054 367 V HN 0.564 nan 8.190 nan 0.000 0.444 368 P HA 0.472 nan 4.420 nan 0.000 0.294 368 P C -0.844 176.531 177.300 0.126 0.000 1.294 368 P CA -0.374 62.829 63.100 0.171 0.000 0.827 368 P CB 1.463 33.327 31.700 0.274 0.000 0.992 369 F N 0.915 120.978 119.950 0.188 0.000 2.380 369 F HA 0.509 5.036 4.527 -0.000 0.000 0.321 369 F C 1.900 177.756 175.800 0.092 0.000 1.103 369 F CA 0.306 58.406 58.000 0.167 0.000 1.067 369 F CB 0.695 39.814 39.000 0.199 0.000 1.265 369 F HN 0.399 nan 8.300 nan 0.000 0.517 370 G N -0.292 108.586 108.800 0.129 0.000 3.575 370 G HA2 0.037 3.997 3.960 -0.000 0.000 0.273 370 G HA3 0.037 3.997 3.960 -0.000 0.000 0.273 370 G C -0.636 174.168 174.900 -0.159 0.000 1.053 370 G CA -0.069 44.987 45.100 -0.073 0.000 0.803 370 G HN 0.495 nan 8.290 nan 0.000 0.528 371 D N 0.913 121.222 120.400 -0.152 0.000 2.198 371 D HA 0.253 4.893 4.640 -0.000 0.000 0.245 371 D C -1.487 174.656 176.300 -0.261 0.000 1.079 371 D CA -1.801 51.913 54.000 -0.476 0.000 0.854 371 D CB 3.107 43.644 40.800 -0.438 0.000 1.148 371 D HN -0.003 nan 8.370 nan 0.000 0.456 372 P HA 0.040 nan 4.420 nan 0.000 0.230 372 P C -0.100 177.234 177.300 0.055 0.000 1.168 372 P CA -0.010 63.015 63.100 -0.124 0.000 0.793 372 P CB 0.560 32.142 31.700 -0.196 0.000 0.851 373 D N 0.145 120.572 120.400 0.045 0.000 2.341 373 D HA -0.082 4.558 4.640 -0.000 0.000 0.235 373 D C 1.606 178.110 176.300 0.341 0.000 1.265 373 D CA -0.113 53.999 54.000 0.185 0.000 0.888 373 D CB 0.419 41.329 40.800 0.184 0.000 1.192 373 D HN -0.141 nan 8.370 nan 0.000 0.462 374 I N 1.032 121.780 120.570 0.296 0.000 2.145 374 I HA -0.199 3.971 4.170 -0.000 0.000 0.244 374 I C 2.085 178.354 176.117 0.254 0.000 1.075 374 I CA 2.039 63.521 61.300 0.304 0.000 1.332 374 I CB -0.526 37.581 38.000 0.178 0.000 1.033 374 I HN 0.511 nan 8.210 nan 0.000 0.410 375 G N -2.483 106.425 108.800 0.181 0.000 3.088 375 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.212 375 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.212 375 G C 0.733 175.319 174.900 -0.524 0.000 1.173 375 G CA 0.133 45.190 45.100 -0.072 0.000 0.779 375 G HN 0.532 nan 8.290 nan 0.000 0.540 376 W N -1.531 119.636 121.300 -0.221 0.000 3.231 376 W HA 0.184 4.844 4.660 -0.000 0.000 0.234 376 W C 2.011 178.292 176.519 -0.398 0.000 1.099 376 W CA -0.267 56.829 57.345 -0.413 0.000 1.467 376 W CB -0.325 29.011 29.460 -0.207 0.000 0.800 376 W HN 0.201 nan 8.180 nan 0.000 0.739 377 Y N 1.096 121.430 120.300 0.055 0.000 2.228 377 Y HA -0.324 4.226 4.550 -0.000 0.000 0.285 377 Y C 1.597 177.579 175.900 0.137 0.000 1.178 377 Y CA 1.627 59.770 58.100 0.071 0.000 1.202 377 Y CB -1.808 36.666 38.460 0.023 0.000 0.974 377 Y HN 0.100 nan 8.280 nan 0.000 0.527 378 F N -0.197 119.532 119.950 -0.368 0.000 2.695 378 F HA 0.415 4.942 4.527 -0.000 0.000 0.303 378 F C 0.807 176.604 175.800 -0.006 0.000 1.091 378 F CA -1.301 56.668 58.000 -0.051 0.000 1.300 378 F CB -0.474 38.295 39.000 -0.385 0.000 1.071 378 F HN -0.197 nan 8.300 nan 0.000 0.578 379 K N 2.432 122.296 120.400 -0.893 0.000 2.382 379 K HA 0.484 4.804 4.320 -0.000 0.000 0.286 379 K C -0.807 175.631 176.600 -0.269 0.000 1.062 379 K CA 0.260 56.097 56.287 -0.750 0.000 1.000 379 K CB -0.059 31.882 32.500 -0.932 0.000 0.954 379 K HN 0.397 nan 8.250 nan 0.000 0.470 380 A N 5.748 128.369 122.820 -0.332 0.000 2.550 380 A HA 0.273 4.593 4.320 -0.000 0.000 0.282 380 A C -1.757 175.742 177.584 -0.142 0.000 1.071 380 A CA -0.714 51.240 52.037 -0.138 0.000 0.838 380 A CB 0.340 19.339 19.000 -0.001 0.000 1.361 380 A HN 0.674 nan 8.150 nan 0.000 0.408 381 Y N 1.947 122.391 120.300 0.239 0.000 2.327 381 Y HA 0.475 5.025 4.550 -0.000 0.000 0.336 381 Y C 0.448 176.477 175.900 0.215 0.000 1.035 381 Y CA -0.440 57.812 58.100 0.254 0.000 1.165 381 Y CB 1.269 39.861 38.460 0.219 0.000 1.181 381 Y HN 0.519 nan 8.280 nan 0.000 0.494 382 L N 4.895 126.348 121.223 0.384 0.000 2.494 382 L HA 0.166 4.506 4.340 -0.000 0.000 0.251 382 L C 0.578 177.645 176.870 0.328 0.000 1.119 382 L CA -0.200 54.797 54.840 0.261 0.000 1.026 382 L CB 0.170 42.330 42.059 0.168 0.000 1.370 382 L HN 0.842 nan 8.230 nan 0.000 0.426 383 D N 0.464 121.050 120.400 0.311 0.000 2.160 383 D HA -0.242 4.397 4.640 -0.000 0.000 0.189 383 D C 1.892 178.364 176.300 0.288 0.000 1.003 383 D CA 2.236 56.419 54.000 0.305 0.000 0.846 383 D CB 0.139 41.065 40.800 0.210 0.000 0.949 383 D HN 0.586 nan 8.370 nan 0.000 0.446 384 S N 0.578 116.392 115.700 0.189 0.000 2.357 384 S HA -0.021 4.449 4.470 -0.000 0.000 0.221 384 S C 2.321 176.956 174.600 0.059 0.000 1.031 384 S CA 1.110 59.394 58.200 0.141 0.000 0.982 384 S CB -0.994 62.263 63.200 0.095 0.000 0.853 384 S HN 0.330 nan 8.310 nan 0.000 0.458 385 G N 2.133 110.934 108.800 0.001 0.000 2.514 385 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 385 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 385 G C 1.078 175.946 174.900 -0.053 0.000 1.198 385 G CA 1.302 46.345 45.100 -0.095 0.000 0.780 385 G HN 0.502 nan 8.290 nan 0.000 0.565 386 D N -1.314 119.094 120.400 0.015 0.000 2.305 386 D HA 0.100 4.740 4.640 -0.000 0.000 0.206 386 D C 1.473 177.616 176.300 -0.262 0.000 0.974 386 D CA 0.495 54.417 54.000 -0.131 0.000 0.871 386 D CB 0.156 40.859 40.800 -0.162 0.000 0.947 386 D HN 0.490 nan 8.370 nan 0.000 0.516 387 Y N -0.412 119.959 120.300 0.118 0.000 2.430 387 Y HA 0.341 4.891 4.550 -0.000 0.000 0.254 387 Y C 1.135 177.112 175.900 0.128 0.000 1.088 387 Y CA 0.066 58.259 58.100 0.154 0.000 1.267 387 Y CB 0.972 39.552 38.460 0.199 0.000 1.204 387 Y HN -0.107 nan 8.280 nan 0.000 0.515 388 G N 1.378 110.316 108.800 0.230 0.000 2.738 388 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.262 388 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.262 388 G C 0.467 175.503 174.900 0.227 0.000 1.032 388 G CA 0.208 45.415 45.100 0.178 0.000 1.278 388 G HN 0.271 nan 8.290 nan 0.000 0.537 389 M N 0.751 120.510 119.600 0.265 0.000 2.213 389 M HA -0.011 4.469 4.480 -0.000 0.000 0.263 389 M C 2.738 179.336 176.300 0.497 0.000 1.062 389 M CA 2.278 57.794 55.300 0.361 0.000 1.105 389 M CB -0.150 32.719 32.600 0.449 0.000 1.385 389 M HN 0.629 nan 8.290 nan 0.000 0.417 390 G N -0.480 108.556 108.800 0.393 0.000 2.418 390 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.217 390 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.217 390 G C 1.450 176.514 174.900 0.273 0.000 1.158 390 G CA 1.376 46.678 45.100 0.337 0.000 0.771 390 G HN 0.348 nan 8.290 nan 0.000 0.545 391 T N 1.164 115.838 114.554 0.199 0.000 2.788 391 T HA 0.001 4.351 4.350 -0.000 0.000 0.268 391 T C 1.960 176.750 174.700 0.149 0.000 1.044 391 T CA 0.586 62.780 62.100 0.157 0.000 1.139 391 T CB -0.139 68.815 68.868 0.143 0.000 0.867 391 T HN 0.114 nan 8.240 nan 0.000 0.454 392 L N 1.626 122.949 121.223 0.167 0.000 2.688 392 L HA 0.143 4.483 4.340 -0.000 0.000 0.234 392 L C 0.549 177.481 176.870 0.104 0.000 1.192 392 L CA -0.256 54.652 54.840 0.112 0.000 0.984 392 L CB -0.584 41.535 42.059 0.100 0.000 1.232 392 L HN 0.106 nan 8.230 nan 0.000 0.465 393 T N -0.078 114.590 114.554 0.189 0.000 2.946 393 T HA 0.001 4.351 4.350 -0.000 0.000 0.311 393 T C 0.635 175.368 174.700 0.056 0.000 1.063 393 T CA 0.294 62.498 62.100 0.172 0.000 1.139 393 T CB 0.725 69.825 68.868 0.386 0.000 0.994 393 T HN 0.110 nan 8.240 nan 0.000 0.547 394 S N 4.924 120.604 115.700 -0.033 0.000 2.420 394 S HA 0.346 4.816 4.470 -0.000 0.000 0.313 394 S C -2.243 172.356 174.600 -0.001 0.000 1.079 394 S CA -1.218 56.962 58.200 -0.034 0.000 1.104 394 S CB 0.817 63.962 63.200 -0.091 0.000 0.969 394 S HN 0.461 nan 8.310 nan 0.000 0.471 395 P HA 0.011 nan 4.420 nan 0.000 0.261 395 P C -0.200 177.114 177.300 0.022 0.000 1.173 395 P CA -0.043 63.079 63.100 0.036 0.000 0.760 395 P CB 0.195 31.909 31.700 0.025 0.000 0.783 396 I N 2.239 122.834 120.570 0.041 0.000 2.683 396 I HA 0.014 4.184 4.170 -0.000 0.000 0.286 396 I C 0.980 177.103 176.117 0.010 0.000 1.175 396 I CA 0.029 61.348 61.300 0.032 0.000 1.429 396 I CB -0.023 38.014 38.000 0.062 0.000 1.371 396 I HN 0.360 nan 8.210 nan 0.000 0.569 397 A N 7.914 130.731 122.820 -0.004 0.000 2.343 397 A HA 0.232 4.552 4.320 -0.000 0.000 0.305 397 A C 0.741 178.316 177.584 -0.016 0.000 1.308 397 A CA -0.530 51.500 52.037 -0.012 0.000 0.949 397 A CB -0.036 18.953 19.000 -0.017 0.000 1.148 397 A HN 0.792 nan 8.150 nan 0.000 0.545 398 R N 1.968 122.459 120.500 -0.014 0.000 2.500 398 R HA 0.152 4.492 4.340 -0.000 0.000 0.281 398 R C 1.476 177.761 176.300 -0.026 0.000 0.953 398 R CA 1.775 57.864 56.100 -0.018 0.000 1.108 398 R CB 0.005 30.295 30.300 -0.017 0.000 0.901 398 R HN 1.612 nan 8.270 nan 0.000 0.410 399 G N 3.113 111.888 108.800 -0.040 0.000 2.245 399 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.264 399 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.264 399 G C 0.677 175.546 174.900 -0.052 0.000 0.985 399 G CA 0.911 45.984 45.100 -0.045 0.000 0.625 399 G HN 0.664 nan 8.290 nan 0.000 0.536 400 K N -0.901 119.471 120.400 -0.047 0.000 2.309 400 K HA 0.166 4.486 4.320 -0.000 0.000 0.210 400 K C 1.377 177.951 176.600 -0.043 0.000 1.114 400 K CA 0.399 56.662 56.287 -0.040 0.000 0.912 400 K CB 0.051 32.535 32.500 -0.026 0.000 1.198 400 K HN 0.077 nan 8.250 nan 0.000 0.471 401 D N 0.901 121.279 120.400 -0.037 0.000 2.312 401 D HA 0.046 4.686 4.640 -0.000 0.000 0.211 401 D C 0.075 176.353 176.300 -0.037 0.000 0.964 401 D CA 0.566 54.553 54.000 -0.021 0.000 0.877 401 D CB 0.452 41.246 40.800 -0.010 0.000 0.924 401 D HN 0.195 nan 8.370 nan 0.000 0.515 402 A N 0.497 123.250 122.820 -0.111 0.000 2.572 402 A HA 0.556 4.876 4.320 -0.000 0.000 0.295 402 A C -2.683 174.697 177.584 -0.341 0.000 1.072 402 A CA -1.329 50.527 52.037 -0.302 0.000 0.691 402 A CB 1.720 20.582 19.000 -0.230 0.000 1.291 402 A HN -0.228 nan 8.150 nan 0.000 0.404 403 P HA 0.057 nan 4.420 nan 0.000 0.270 403 P C 0.895 178.087 177.300 -0.181 0.000 1.223 403 P CA 0.422 63.329 63.100 -0.322 0.000 0.785 403 P CB 0.689 32.175 31.700 -0.356 0.000 0.923 404 S N 0.266 115.920 115.700 -0.077 0.000 2.500 404 S HA -0.154 4.315 4.470 -0.000 0.000 0.239 404 S C 1.161 175.782 174.600 0.035 0.000 0.989 404 S CA 0.848 59.041 58.200 -0.011 0.000 0.951 404 S CB -1.081 62.129 63.200 0.017 0.000 0.759 404 S HN 0.653 nan 8.310 nan 0.000 0.523 405 N N 1.637 120.361 118.700 0.039 0.000 2.251 405 N HA 0.328 5.068 4.740 -0.000 0.000 0.217 405 N C 0.123 175.730 175.510 0.162 0.000 1.124 405 N CA 0.149 53.266 53.050 0.112 0.000 0.843 405 N CB 0.022 38.584 38.487 0.126 0.000 1.024 405 N HN 0.448 nan 8.380 nan 0.000 0.501 406 A N 0.278 123.164 122.820 0.111 0.000 2.271 406 A HA 0.578 4.898 4.320 -0.000 0.000 0.288 406 A C -0.246 177.462 177.584 0.207 0.000 1.094 406 A CA -0.486 51.674 52.037 0.204 0.000 0.828 406 A CB 0.997 20.061 19.000 0.107 0.000 1.091 406 A HN 0.061 nan 8.150 nan 0.000 0.493 407 V N 1.648 121.717 119.914 0.258 0.000 2.417 407 V HA 0.335 4.455 4.120 -0.000 0.000 0.291 407 V C -0.431 175.788 176.094 0.209 0.000 1.024 407 V CA -0.218 62.233 62.300 0.252 0.000 0.861 407 V CB 1.142 33.157 31.823 0.319 0.000 0.985 407 V HN 0.661 nan 8.190 nan 0.000 0.436 408 L N 6.360 127.686 121.223 0.172 0.000 2.272 408 L HA 0.573 4.913 4.340 -0.000 0.000 0.289 408 L C -0.500 176.453 176.870 0.138 0.000 1.032 408 L CA -0.388 54.533 54.840 0.135 0.000 0.810 408 L CB 1.222 43.330 42.059 0.082 0.000 1.205 408 L HN 0.390 nan 8.230 nan 0.000 0.422 409 L N 3.412 124.717 121.223 0.137 0.000 2.325 409 L HA 0.447 4.786 4.340 -0.000 0.000 0.279 409 L C -0.040 176.870 176.870 0.067 0.000 1.054 409 L CA -0.677 54.234 54.840 0.118 0.000 0.804 409 L CB 1.113 43.242 42.059 0.117 0.000 1.200 409 L HN 0.587 nan 8.230 nan 0.000 0.436 410 N N 2.015 120.733 118.700 0.030 0.000 2.487 410 N HA 0.406 5.146 4.740 -0.000 0.000 0.292 410 N C -0.710 174.807 175.510 0.012 0.000 1.108 410 N CA -0.517 52.542 53.050 0.016 0.000 0.956 410 N CB 1.889 40.368 38.487 -0.013 0.000 1.176 410 N HN 0.493 nan 8.380 nan 0.000 0.484 411 E N 0.409 120.620 120.200 0.017 0.000 2.340 411 E HA 0.411 4.761 4.350 -0.000 0.000 0.273 411 E C -0.827 175.775 176.600 0.003 0.000 0.891 411 E CA -0.564 55.836 56.400 0.001 0.000 0.757 411 E CB 2.168 31.866 29.700 -0.004 0.000 1.231 411 E HN 0.337 nan 8.360 nan 0.000 0.439 412 T N 2.492 117.040 114.554 -0.010 0.000 2.797 412 T HA 0.720 5.070 4.350 -0.000 0.000 0.279 412 T C 0.314 175.009 174.700 -0.008 0.000 0.991 412 T CA -0.547 61.549 62.100 -0.007 0.000 0.979 412 T CB 0.493 69.352 68.868 -0.014 0.000 0.943 412 T HN 0.439 nan 8.240 nan 0.000 0.444 413 I N -0.659 119.913 120.570 0.003 0.000 3.264 413 I HA 0.967 5.137 4.170 -0.000 0.000 0.315 413 I C -0.781 175.337 176.117 0.002 0.000 1.154 413 I CA -1.862 59.441 61.300 0.005 0.000 0.962 413 I CB 1.845 39.861 38.000 0.026 0.000 1.265 413 I HN 0.610 nan 8.210 nan 0.000 0.463 414 A N 1.898 124.718 122.820 -0.000 0.000 2.301 414 A HA 0.597 4.917 4.320 -0.000 0.000 0.312 414 A C -0.647 176.951 177.584 0.024 0.000 1.182 414 A CA -0.408 51.616 52.037 -0.022 0.000 0.826 414 A CB 0.367 19.331 19.000 -0.060 0.000 1.134 414 A HN 0.861 nan 8.150 nan 0.000 0.501 415 D N 0.443 120.853 120.400 0.016 0.000 2.433 415 D HA 0.082 4.722 4.640 -0.000 0.000 0.255 415 D C 0.760 177.134 176.300 0.124 0.000 1.226 415 D CA 0.020 54.074 54.000 0.089 0.000 1.015 415 D CB -0.044 40.800 40.800 0.074 0.000 1.091 415 D HN 0.644 nan 8.370 nan 0.000 0.527 416 Y N -2.185 118.187 120.300 0.120 0.000 2.569 416 Y HA 0.004 4.554 4.550 -0.000 0.000 0.293 416 Y C 1.575 177.650 175.900 0.293 0.000 1.144 416 Y CA 1.132 59.346 58.100 0.189 0.000 1.321 416 Y CB -0.935 37.612 38.460 0.145 0.000 0.982 416 Y HN 0.368 nan 8.280 nan 0.000 0.558 417 T N -3.761 110.596 114.554 -0.328 0.000 3.092 417 T HA 0.455 4.805 4.350 -0.000 0.000 0.258 417 T C 1.496 176.170 174.700 -0.043 0.000 1.031 417 T CA 0.153 62.162 62.100 -0.152 0.000 0.925 417 T CB -0.288 68.380 68.868 -0.334 0.000 1.036 417 T HN 0.850 nan 8.240 nan 0.000 0.544 418 G N 0.787 109.463 108.800 -0.206 0.000 2.148 418 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.254 418 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.254 418 G C -0.047 174.669 174.900 -0.306 0.000 0.981 418 G CA 0.000 44.761 45.100 -0.565 0.000 0.670 418 G HN 0.727 nan 8.290 nan 0.000 0.528 419 V N 1.472 121.278 119.914 -0.180 0.000 2.481 419 V HA 0.496 4.616 4.120 -0.000 0.000 0.286 419 V C -1.622 174.421 176.094 -0.084 0.000 1.042 419 V CA -1.828 60.400 62.300 -0.121 0.000 0.928 419 V CB 1.723 33.492 31.823 -0.091 0.000 0.986 419 V HN 0.096 nan 8.190 nan 0.000 0.462 420 P HA 0.219 nan 4.420 nan 0.000 0.268 420 P C -0.661 176.624 177.300 -0.024 0.000 1.205 420 P CA 0.058 63.131 63.100 -0.045 0.000 0.771 420 P CB 0.284 31.958 31.700 -0.043 0.000 0.858 421 M N -0.152 119.443 119.600 -0.008 0.000 2.267 421 M HA 0.510 4.990 4.480 -0.000 0.000 0.289 421 M C -0.687 175.620 176.300 0.011 0.000 1.043 421 M CA -0.716 54.589 55.300 0.008 0.000 0.928 421 M CB 2.931 35.547 32.600 0.027 0.000 1.613 421 M HN 0.092 nan 8.290 nan 0.000 0.450 422 E N 3.784 123.989 120.200 0.009 0.000 2.146 422 E HA 0.507 4.857 4.350 -0.000 0.000 0.282 422 E C -1.468 175.144 176.600 0.021 0.000 0.989 422 E CA -0.613 55.792 56.400 0.009 0.000 0.799 422 E CB 1.258 30.957 29.700 -0.002 0.000 1.088 422 E HN 0.828 nan 8.360 nan 0.000 0.397 423 I N 7.815 128.405 120.570 0.032 0.000 2.304 423 I HA 0.247 4.416 4.170 -0.000 0.000 0.291 423 I C -1.997 174.145 176.117 0.042 0.000 1.018 423 I CA -2.240 59.089 61.300 0.049 0.000 1.260 423 I CB 1.145 39.194 38.000 0.082 0.000 1.390 423 I HN 0.372 nan 8.210 nan 0.000 0.475 424 P HA 0.126 nan 4.420 nan 0.000 0.275 424 P C -0.562 176.759 177.300 0.035 0.000 1.227 424 P CA -0.319 62.791 63.100 0.018 0.000 0.781 424 P CB 0.561 32.262 31.700 0.002 0.000 0.906 425 R N 1.227 121.747 120.500 0.034 0.000 3.322 425 R HA -0.230 4.110 4.340 -0.000 0.000 0.253 425 R C 1.097 177.454 176.300 0.096 0.000 0.987 425 R CA 0.466 56.600 56.100 0.056 0.000 0.666 425 R CB -2.493 27.828 30.300 0.036 0.000 1.072 425 R HN 0.599 nan 8.270 nan 0.000 0.447 426 A N 0.266 123.155 122.820 0.115 0.000 1.969 426 A HA 0.079 4.399 4.320 -0.000 0.000 0.218 426 A C 1.032 178.781 177.584 0.274 0.000 1.169 426 A CA 0.950 53.099 52.037 0.187 0.000 0.635 426 A CB 0.285 19.381 19.000 0.160 0.000 0.810 426 A HN 0.396 nan 8.150 nan 0.000 0.445 427 I N -1.478 119.214 120.570 0.203 0.000 2.619 427 I HA 0.530 4.700 4.170 -0.000 0.000 0.292 427 I C -0.335 175.893 176.117 0.186 0.000 1.100 427 I CA -0.738 60.697 61.300 0.226 0.000 1.043 427 I CB 2.263 40.350 38.000 0.145 0.000 1.239 427 I HN 0.095 nan 8.210 nan 0.000 0.420 428 A N 5.630 128.587 122.820 0.229 0.000 2.317 428 A HA 0.843 5.163 4.320 -0.000 0.000 0.327 428 A C -0.865 176.864 177.584 0.241 0.000 1.178 428 A CA -0.499 51.691 52.037 0.255 0.000 0.817 428 A CB 1.241 20.442 19.000 0.335 0.000 1.189 428 A HN 0.425 nan 8.150 nan 0.000 0.489 429 V N 3.092 123.118 119.914 0.187 0.000 2.487 429 V HA 0.744 4.864 4.120 -0.000 0.000 0.298 429 V C -1.026 175.111 176.094 0.071 0.000 1.028 429 V CA -0.289 61.975 62.300 -0.060 0.000 0.860 429 V CB 0.690 32.339 31.823 -0.290 0.000 0.991 429 V HN 0.906 nan 8.190 nan 0.000 0.427 430 F N 1.098 120.926 119.950 -0.203 0.000 2.665 430 F HA 0.698 5.225 4.527 -0.000 0.000 0.308 430 F C -0.774 174.947 175.800 -0.131 0.000 1.112 430 F CA -1.093 56.862 58.000 -0.075 0.000 0.972 430 F CB 1.449 40.452 39.000 0.006 0.000 1.295 430 F HN 0.474 nan 8.300 nan 0.000 0.440 431 E N 2.321 122.623 120.200 0.170 0.000 2.283 431 E HA 0.692 5.042 4.350 -0.000 0.000 0.271 431 E C -0.974 175.738 176.600 0.186 0.000 1.031 431 E CA -0.922 55.504 56.400 0.043 0.000 0.868 431 E CB 1.463 31.286 29.700 0.206 0.000 1.094 431 E HN 0.858 nan 8.360 nan 0.000 0.401 432 R N 2.470 123.041 120.500 0.118 0.000 2.668 432 R HA 0.216 4.556 4.340 -0.000 0.000 0.272 432 R C -1.546 174.837 176.300 0.140 0.000 1.019 432 R CA -0.950 55.252 56.100 0.170 0.000 0.894 432 R CB 0.502 30.917 30.300 0.191 0.000 1.228 432 R HN 0.546 nan 8.270 nan 0.000 0.460 433 Y N 1.746 122.079 120.300 0.055 0.000 2.425 433 Y HA 0.438 4.988 4.550 -0.000 0.000 0.331 433 Y C -0.492 175.410 175.900 0.003 0.000 1.157 433 Y CA 0.228 58.347 58.100 0.032 0.000 1.372 433 Y CB 1.257 39.731 38.460 0.023 0.000 1.253 433 Y HN 0.820 nan 8.280 nan 0.000 0.536 434 A N 5.557 127.949 122.820 -0.712 0.000 3.129 434 A HA 0.613 4.933 4.320 -0.000 0.000 0.282 434 A C 0.604 177.779 177.584 -0.681 0.000 0.948 434 A CA 0.046 51.753 52.037 -0.550 0.000 1.027 434 A CB -0.827 17.985 19.000 -0.314 0.000 1.123 434 A HN 1.796 nan 8.150 nan 0.000 0.485 435 G N 0.929 108.990 108.800 -1.231 0.000 2.750 435 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.228 435 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.228 435 G C -2.983 171.687 174.900 -0.384 0.000 1.367 435 G CA -0.393 44.364 45.100 -0.572 0.000 0.871 435 G HN 0.510 nan 8.290 nan 0.000 0.560 436 P HA 0.304 nan 4.420 nan 0.000 0.276 436 P C 0.507 177.750 177.300 -0.095 0.000 1.235 436 P CA -0.064 63.004 63.100 -0.054 0.000 0.772 436 P CB 1.649 33.357 31.700 0.014 0.000 0.871 437 E N 3.938 124.043 120.200 -0.159 0.000 2.077 437 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 437 E C -0.004 176.570 176.600 -0.043 0.000 0.989 437 E CA 1.794 58.102 56.400 -0.154 0.000 0.800 437 E CB -0.354 29.170 29.700 -0.293 0.000 0.746 437 E HN 0.575 nan 8.360 nan 0.000 0.452 438 Y N -2.980 117.328 120.300 0.014 0.000 2.677 438 Y HA 0.641 5.191 4.550 -0.000 0.000 0.334 438 Y C -1.135 174.785 175.900 0.032 0.000 1.196 438 Y CA -1.779 56.331 58.100 0.017 0.000 1.059 438 Y CB 0.586 39.050 38.460 0.007 0.000 1.315 438 Y HN -0.117 nan 8.280 nan 0.000 0.455 439 K N 1.149 121.758 120.400 0.348 0.000 2.578 439 K HA 0.531 4.851 4.320 -0.000 0.000 0.269 439 K C -2.685 174.062 176.600 0.244 0.000 0.941 439 K CA -0.787 55.654 56.287 0.257 0.000 0.847 439 K CB 2.087 34.671 32.500 0.141 0.000 1.397 439 K HN 1.060 nan 8.250 nan 0.000 0.422 440 H N 2.013 121.135 119.070 0.087 0.000 3.224 440 H HA 0.241 4.797 4.556 -0.000 0.000 0.331 440 H C -1.862 173.486 175.328 0.033 0.000 1.002 440 H CA -0.311 55.761 56.048 0.039 0.000 1.473 440 H CB 1.668 31.434 29.762 0.006 0.000 1.830 440 H HN 0.550 nan 8.280 nan 0.000 0.485 441 Q N 3.748 123.261 119.800 -0.479 0.000 2.563 441 Q HA 0.246 4.586 4.340 -0.000 0.000 0.232 441 Q C -0.784 174.850 176.000 -0.610 0.000 1.106 441 Q CA -0.740 54.830 55.803 -0.388 0.000 0.913 441 Q CB 0.580 29.221 28.738 -0.161 0.000 1.175 441 Q HN 0.599 nan 8.270 nan 0.000 0.540 442 E N 3.117 122.908 120.200 -0.681 0.000 2.376 442 E HA 0.126 4.476 4.350 -0.000 0.000 0.266 442 E C -0.581 175.932 176.600 -0.146 0.000 1.009 442 E CA -0.344 55.846 56.400 -0.350 0.000 0.902 442 E CB 0.421 30.079 29.700 -0.071 0.000 0.972 442 E HN 0.709 nan 8.360 nan 0.000 0.439 443 M N 4.853 124.409 119.600 -0.073 0.000 2.290 443 M HA 0.150 4.630 4.480 -0.000 0.000 0.356 443 M C 1.087 177.369 176.300 -0.029 0.000 1.448 443 M CA 1.708 56.984 55.300 -0.040 0.000 0.993 443 M CB -0.381 32.212 32.600 -0.013 0.000 1.934 443 M HN 0.707 nan 8.290 nan 0.000 0.461 444 G N 2.665 111.448 108.800 -0.029 0.000 2.168 444 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.263 444 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.263 444 G C -0.046 174.841 174.900 -0.021 0.000 0.977 444 G CA 0.447 45.535 45.100 -0.020 0.000 0.659 444 G HN 0.735 nan 8.290 nan 0.000 0.533 445 Q N -0.519 119.261 119.800 -0.033 0.000 2.445 445 Q HA 0.551 4.891 4.340 -0.000 0.000 0.281 445 Q C -2.639 173.341 176.000 -0.032 0.000 1.101 445 Q CA -1.905 53.882 55.803 -0.026 0.000 0.833 445 Q CB 1.327 30.051 28.738 -0.023 0.000 1.416 445 Q HN 0.147 nan 8.270 nan 0.000 0.451 446 P HA 0.021 nan 4.420 nan 0.000 0.268 446 P C -0.113 177.174 177.300 -0.021 0.000 1.204 446 P CA -0.050 63.041 63.100 -0.015 0.000 0.768 446 P CB 0.459 32.157 31.700 -0.003 0.000 0.842 447 N N 1.876 120.563 118.700 -0.022 0.000 2.453 447 N HA 0.105 4.845 4.740 -0.000 0.000 0.253 447 N C -1.176 174.342 175.510 0.014 0.000 1.252 447 N CA -0.011 53.026 53.050 -0.023 0.000 0.917 447 N CB 0.502 38.979 38.487 -0.015 0.000 1.117 447 N HN 0.035 nan 8.380 nan 0.000 0.442 448 V N 1.715 121.653 119.914 0.040 0.000 2.443 448 V HA 0.396 4.516 4.120 -0.000 0.000 0.293 448 V C -0.677 175.503 176.094 0.142 0.000 1.021 448 V CA -0.532 61.829 62.300 0.103 0.000 0.848 448 V CB 1.371 33.277 31.823 0.139 0.000 0.998 448 V HN 0.687 nan 8.190 nan 0.000 0.424 449 S N 2.453 118.222 115.700 0.115 0.000 2.537 449 S HA 0.834 5.304 4.470 -0.000 0.000 0.270 449 S C -0.488 174.097 174.600 -0.026 0.000 1.142 449 S CA -0.698 57.545 58.200 0.072 0.000 0.870 449 S CB 2.420 65.646 63.200 0.043 0.000 1.112 449 S HN 0.967 nan 8.310 nan 0.000 0.466 450 T N -0.737 113.707 114.554 -0.184 0.000 2.933 450 T HA 0.641 4.991 4.350 -0.000 0.000 0.305 450 T C -0.957 173.627 174.700 -0.194 0.000 1.092 450 T CA -1.016 60.929 62.100 -0.258 0.000 1.008 450 T CB 1.524 70.081 68.868 -0.517 0.000 1.102 450 T HN 0.673 nan 8.240 nan 0.000 0.469 451 E N 2.261 122.422 120.200 -0.066 0.000 2.313 451 E HA 0.394 4.744 4.350 -0.000 0.000 0.272 451 E C -0.227 176.341 176.600 -0.054 0.000 1.038 451 E CA -1.080 55.335 56.400 0.025 0.000 0.863 451 E CB 1.428 31.273 29.700 0.242 0.000 1.060 451 E HN 0.713 nan 8.360 nan 0.000 0.402 452 R N 1.988 122.414 120.500 -0.123 0.000 2.349 452 R HA 0.258 4.598 4.340 -0.000 0.000 0.299 452 R C -0.684 175.581 176.300 -0.059 0.000 1.027 452 R CA -0.613 55.425 56.100 -0.104 0.000 0.958 452 R CB 0.798 31.008 30.300 -0.150 0.000 1.047 452 R HN 0.496 nan 8.270 nan 0.000 0.468 453 R N 3.041 123.587 120.500 0.076 0.000 2.599 453 R HA 0.341 4.681 4.340 -0.000 0.000 0.295 453 R C -0.982 175.476 176.300 0.263 0.000 0.963 453 R CA -0.724 55.496 56.100 0.200 0.000 0.883 453 R CB 2.077 32.604 30.300 0.379 0.000 1.171 453 R HN 0.753 nan 8.270 nan 0.000 0.450 454 E N 1.504 121.751 120.200 0.078 0.000 2.266 454 E HA 0.377 4.727 4.350 -0.000 0.000 0.268 454 E C -1.049 175.320 176.600 -0.386 0.000 0.879 454 E CA -1.081 55.251 56.400 -0.114 0.000 0.762 454 E CB 2.682 32.191 29.700 -0.319 0.000 1.199 454 E HN 0.100 nan 8.360 nan 0.000 0.422 455 L N 3.060 123.857 121.223 -0.711 0.000 2.287 455 L HA 0.411 4.751 4.340 -0.000 0.000 0.287 455 L C -1.415 175.096 176.870 -0.597 0.000 1.022 455 L CA -0.592 53.654 54.840 -0.990 0.000 0.814 455 L CB 1.397 42.507 42.059 -1.582 0.000 1.217 455 L HN 0.303 nan 8.230 nan 0.000 0.420 456 V N 5.526 124.977 119.914 -0.773 0.000 2.581 456 V HA 0.523 4.643 4.120 -0.000 0.000 0.303 456 V C -0.437 175.295 176.094 -0.605 0.000 1.041 456 V CA -0.763 61.097 62.300 -0.733 0.000 0.907 456 V CB 1.923 33.022 31.823 -1.207 0.000 0.994 456 V HN 0.465 nan 8.190 nan 0.000 0.442 457 V N 5.234 125.030 119.914 -0.197 0.000 2.313 457 V HA 0.491 4.611 4.120 -0.000 0.000 0.278 457 V C 0.075 176.273 176.094 0.174 0.000 1.017 457 V CA -0.531 61.769 62.300 0.000 0.000 0.823 457 V CB 1.217 33.098 31.823 0.096 0.000 1.010 457 V HN 0.872 nan 8.190 nan 0.000 0.443 458 R N 3.936 124.580 120.500 0.239 0.000 2.445 458 R HA 0.568 4.908 4.340 -0.000 0.000 0.308 458 R C -1.764 174.807 176.300 0.452 0.000 0.961 458 R CA -0.582 55.750 56.100 0.386 0.000 0.862 458 R CB 1.661 32.236 30.300 0.459 0.000 1.144 458 R HN 0.655 nan 8.270 nan 0.000 0.447 459 W N 6.733 128.206 121.300 0.288 0.000 2.998 459 W HA 0.539 5.199 4.660 -0.000 0.000 0.335 459 W C -1.902 174.792 176.519 0.291 0.000 1.110 459 W CA -0.778 56.718 57.345 0.251 0.000 1.230 459 W CB 1.175 30.780 29.460 0.241 0.000 1.405 459 W HN 0.405 nan 8.180 nan 0.000 0.493 460 I N 5.332 125.675 120.570 -0.378 0.000 2.465 460 I HA 0.414 4.584 4.170 -0.000 0.000 0.291 460 I C -0.285 175.377 176.117 -0.758 0.000 1.014 460 I CA -0.977 60.038 61.300 -0.474 0.000 1.093 460 I CB 1.903 39.781 38.000 -0.205 0.000 1.267 460 I HN 0.369 nan 8.210 nan 0.000 0.431 461 S N 3.429 118.727 115.700 -0.670 0.000 2.521 461 S HA 0.668 5.138 4.470 -0.000 0.000 0.295 461 S C -0.730 173.767 174.600 -0.172 0.000 1.098 461 S CA -0.265 57.678 58.200 -0.428 0.000 0.999 461 S CB 1.758 64.694 63.200 -0.440 0.000 1.034 461 S HN 0.602 nan 8.310 nan 0.000 0.483 462 T N 3.347 117.835 114.554 -0.110 0.000 2.812 462 T HA 0.555 4.905 4.350 -0.000 0.000 0.282 462 T C -1.191 173.468 174.700 -0.069 0.000 0.990 462 T CA -0.457 61.568 62.100 -0.125 0.000 0.960 462 T CB 1.369 70.146 68.868 -0.153 0.000 0.948 462 T HN 0.431 nan 8.240 nan 0.000 0.438 463 V N 3.499 123.359 119.914 -0.091 0.000 2.357 463 V HA 0.674 4.794 4.120 -0.000 0.000 0.281 463 V C 1.001 176.969 176.094 -0.210 0.000 1.015 463 V CA 0.180 62.410 62.300 -0.117 0.000 0.827 463 V CB 0.424 32.183 31.823 -0.106 0.000 1.018 463 V HN 1.256 nan 8.190 nan 0.000 0.432 464 G N 6.203 114.953 108.800 -0.083 0.000 2.574 464 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.301 464 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.301 464 G C 0.173 174.945 174.900 -0.213 0.000 1.166 464 G CA 0.757 45.885 45.100 0.047 0.000 0.971 464 G HN 1.078 nan 8.290 nan 0.000 0.542 468 Y N 0.981 121.126 120.300 -0.259 0.000 2.364 468 Y HA 0.659 5.209 4.550 -0.000 0.000 0.340 468 Y C -0.004 175.641 175.900 -0.425 0.000 0.975 468 Y CA -0.825 57.070 58.100 -0.342 0.000 1.089 468 Y CB 1.395 39.800 38.460 -0.092 0.000 1.192 468 Y HN 0.258 nan 8.280 nan 0.000 0.454 469 I N 4.074 124.360 120.570 -0.474 0.000 2.404 469 I HA 0.406 4.576 4.170 -0.000 0.000 0.293 469 I C -1.232 174.620 176.117 -0.443 0.000 0.992 469 I CA -0.604 60.494 61.300 -0.335 0.000 1.149 469 I CB 1.197 38.996 38.000 -0.335 0.000 1.315 469 I HN 0.366 nan 8.210 nan 0.000 0.446 470 F N 3.380 123.433 119.950 0.172 0.000 2.507 470 F HA 0.434 4.961 4.527 -0.000 0.000 0.325 470 F C -0.387 175.579 175.800 0.277 0.000 1.116 470 F CA -0.749 57.404 58.000 0.255 0.000 0.930 470 F CB 1.590 40.885 39.000 0.492 0.000 1.146 470 F HN 0.313 nan 8.300 nan 0.000 0.447 471 D N 2.337 122.876 120.400 0.230 0.000 2.391 471 D HA 0.233 4.873 4.640 -0.000 0.000 0.245 471 D C -1.360 174.841 176.300 -0.166 0.000 1.069 471 D CA -0.252 53.820 54.000 0.120 0.000 0.831 471 D CB 1.317 42.140 40.800 0.038 0.000 1.204 471 D HN 0.335 nan 8.370 nan 0.000 0.503 472 W N 2.789 124.013 121.300 -0.127 0.000 2.291 472 W HA 0.475 5.135 4.660 -0.000 0.000 0.312 472 W C -0.014 176.253 176.519 -0.420 0.000 1.061 472 W CA -0.583 56.567 57.345 -0.325 0.000 1.296 472 W CB 0.561 29.845 29.460 -0.293 0.000 1.223 472 W HN 0.137 nan 8.180 nan 0.000 0.421 473 I N 4.499 124.830 120.570 -0.398 0.000 2.355 473 I HA 0.301 4.471 4.170 -0.000 0.000 0.288 473 I C -0.795 175.067 176.117 -0.426 0.000 0.999 473 I CA -0.894 60.198 61.300 -0.346 0.000 1.163 473 I CB 0.499 38.359 38.000 -0.233 0.000 1.316 473 I HN 0.094 nan 8.210 nan 0.000 0.454 474 F N 4.759 124.511 119.950 -0.330 0.000 2.391 474 F HA 0.355 4.882 4.527 -0.000 0.000 0.359 474 F C 0.868 176.749 175.800 0.135 0.000 1.122 474 F CA -0.319 57.472 58.000 -0.347 0.000 1.120 474 F CB 0.287 38.811 39.000 -0.793 0.000 1.142 474 F HN 0.398 nan 8.300 nan 0.000 0.483 475 H N 2.901 122.182 119.070 0.351 0.000 2.487 475 H HA 0.125 4.681 4.556 -0.000 0.000 0.333 475 H C 0.761 176.562 175.328 0.789 0.000 1.114 475 H CA -0.448 55.876 56.048 0.460 0.000 1.310 475 H CB 1.468 31.398 29.762 0.279 0.000 1.462 475 H HN 0.730 nan 8.280 nan 0.000 0.516 476 E N 1.598 122.211 120.200 0.689 0.000 2.118 476 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 476 E C 1.347 178.180 176.600 0.388 0.000 0.992 476 E CA 1.138 57.795 56.400 0.429 0.000 0.804 476 E CB -0.030 29.750 29.700 0.133 0.000 0.741 476 E HN 0.684 nan 8.360 nan 0.000 0.458 477 N N -0.734 118.169 118.700 0.338 0.000 2.575 477 N HA -0.064 4.675 4.740 -0.000 0.000 0.192 477 N C 1.167 176.755 175.510 0.130 0.000 1.200 477 N CA 0.581 53.725 53.050 0.156 0.000 0.897 477 N CB 0.530 39.081 38.487 0.106 0.000 0.990 477 N HN 0.178 nan 8.380 nan 0.000 0.449 478 G N -0.311 108.761 108.800 0.453 0.000 2.232 478 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.226 478 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.226 478 G C 0.210 175.508 174.900 0.663 0.000 0.996 478 G CA 0.230 45.604 45.100 0.456 0.000 0.626 478 G HN 0.424 nan 8.290 nan 0.000 0.509 479 T N 1.258 116.042 114.554 0.384 0.000 2.913 479 T HA 0.605 4.955 4.350 -0.000 0.000 0.297 479 T C 0.287 175.016 174.700 0.049 0.000 1.029 479 T CA 0.450 62.596 62.100 0.076 0.000 1.104 479 T CB 1.457 70.069 68.868 -0.425 0.000 0.964 479 T HN 0.342 nan 8.240 nan 0.000 0.532 480 I N 1.602 122.119 120.570 -0.088 0.000 2.466 480 I HA 0.538 4.708 4.170 -0.000 0.000 0.289 480 I C 0.552 176.492 176.117 -0.296 0.000 1.026 480 I CA -0.702 60.430 61.300 -0.280 0.000 1.078 480 I CB 1.994 39.746 38.000 -0.413 0.000 1.249 480 I HN 0.706 nan 8.210 nan 0.000 0.429 481 G N 6.472 115.102 108.800 -0.283 0.000 2.432 481 G HA2 0.849 4.809 3.960 -0.000 0.000 0.331 481 G HA3 0.849 4.809 3.960 -0.000 0.000 0.331 481 G C -0.967 173.672 174.900 -0.436 0.000 1.170 481 G CA -0.492 44.459 45.100 -0.250 0.000 0.943 481 G HN 0.490 nan 8.290 nan 0.000 0.483 482 I N 1.442 121.718 120.570 -0.490 0.000 2.497 482 I HA 0.256 4.426 4.170 -0.000 0.000 0.284 482 I C -1.453 174.354 176.117 -0.517 0.000 1.060 482 I CA -0.708 60.109 61.300 -0.805 0.000 1.071 482 I CB 2.176 39.359 38.000 -1.362 0.000 1.216 482 I HN 0.225 nan 8.210 nan 0.000 0.442 483 D N 4.799 124.995 120.400 -0.340 0.000 2.269 483 D HA 0.768 5.408 4.640 -0.000 0.000 0.244 483 D C -0.554 175.720 176.300 -0.045 0.000 0.992 483 D CA -0.267 53.673 54.000 -0.100 0.000 0.894 483 D CB 2.371 43.173 40.800 0.004 0.000 1.248 483 D HN 0.574 nan 8.370 nan 0.000 0.468 484 A N 0.795 123.548 122.820 -0.112 0.000 2.353 484 A HA 0.728 5.048 4.320 -0.000 0.000 0.299 484 A C 0.004 177.193 177.584 -0.658 0.000 1.089 484 A CA -0.655 51.031 52.037 -0.585 0.000 0.736 484 A CB 1.285 19.686 19.000 -1.000 0.000 1.195 484 A HN 0.483 nan 8.150 nan 0.000 0.447 485 G N 0.568 108.732 108.800 -1.060 0.000 2.420 485 G HA2 0.739 4.699 3.960 -0.000 0.000 0.331 485 G HA3 0.739 4.699 3.960 -0.000 0.000 0.331 485 G C -0.410 173.955 174.900 -0.891 0.000 1.168 485 G CA 0.019 44.201 45.100 -1.530 0.000 0.936 485 G HN 1.565 nan 8.290 nan 0.000 0.479 486 A N 0.860 123.238 122.820 -0.737 0.000 2.356 486 A HA 0.899 5.219 4.320 -0.000 0.000 0.310 486 A C -0.143 177.119 177.584 -0.537 0.000 1.075 486 A CA -0.433 51.284 52.037 -0.532 0.000 0.746 486 A CB 2.136 20.890 19.000 -0.410 0.000 1.221 486 A HN 1.096 nan 8.150 nan 0.000 0.443 487 T N 0.251 114.488 114.554 -0.528 0.000 2.645 487 T HA 0.837 5.187 4.350 -0.000 0.000 0.300 487 T C 0.156 174.596 174.700 -0.433 0.000 1.210 487 T CA 0.962 62.814 62.100 -0.412 0.000 1.034 487 T CB 1.044 69.690 68.868 -0.369 0.000 1.537 487 T HN 2.732 nan 8.240 nan 0.000 0.492 488 G N 0.582 109.144 108.800 -0.396 0.000 2.342 488 G HA2 0.123 4.083 3.960 -0.000 0.000 0.220 488 G HA3 0.123 4.083 3.960 -0.000 0.000 0.220 488 G C -1.763 172.863 174.900 -0.457 0.000 1.243 488 G CA -0.311 44.502 45.100 -0.477 0.000 1.083 488 G HN 0.804 nan 8.290 nan 0.000 0.500 489 I N 1.673 121.908 120.570 -0.559 0.000 2.354 489 I HA 0.394 4.564 4.170 -0.000 0.000 0.292 489 I C 0.774 176.735 176.117 -0.260 0.000 0.989 489 I CA -0.922 60.090 61.300 -0.480 0.000 1.188 489 I CB 0.861 38.404 38.000 -0.761 0.000 1.342 489 I HN 0.609 nan 8.210 nan 0.000 0.457 490 E N 3.427 123.683 120.200 0.094 0.000 2.398 490 E HA 0.332 4.682 4.350 -0.000 0.000 0.263 490 E C -0.005 176.729 176.600 0.223 0.000 1.046 490 E CA -0.344 56.177 56.400 0.201 0.000 0.908 490 E CB 0.920 30.810 29.700 0.317 0.000 0.963 490 E HN 0.696 nan 8.360 nan 0.000 0.431 491 A N 3.014 125.956 122.820 0.205 0.000 2.410 491 A HA 0.304 4.624 4.320 -0.000 0.000 0.292 491 A C 0.094 177.946 177.584 0.447 0.000 1.232 491 A CA -0.536 51.683 52.037 0.303 0.000 0.893 491 A CB -0.399 18.753 19.000 0.254 0.000 1.131 491 A HN 0.382 nan 8.150 nan 0.000 0.530 492 V N 0.570 120.744 119.914 0.433 0.000 2.975 492 V HA 0.718 4.838 4.120 -0.000 0.000 0.318 492 V C -0.157 176.242 176.094 0.508 0.000 1.077 492 V CA -1.103 61.371 62.300 0.291 0.000 1.000 492 V CB 1.632 33.391 31.823 -0.107 0.000 1.066 492 V HN 0.806 nan 8.190 nan 0.000 0.452 493 K N 1.381 121.934 120.400 0.255 0.000 2.244 493 K HA 0.662 4.982 4.320 -0.000 0.000 0.260 493 K C 0.135 176.823 176.600 0.147 0.000 0.951 493 K CA -0.285 56.197 56.287 0.326 0.000 0.826 493 K CB 1.537 34.002 32.500 -0.059 0.000 1.108 493 K HN 1.206 nan 8.250 nan 0.000 0.433 494 G N 2.337 111.243 108.800 0.177 0.000 2.380 494 G HA2 0.425 4.385 3.960 -0.000 0.000 0.262 494 G HA3 0.425 4.385 3.960 -0.000 0.000 0.262 494 G C -0.493 174.449 174.900 0.070 0.000 1.243 494 G CA -0.358 44.807 45.100 0.109 0.000 0.865 494 G HN 0.493 nan 8.290 nan 0.000 0.513 495 V N -0.031 119.908 119.914 0.042 0.000 3.130 495 V HA 0.589 4.709 4.120 -0.000 0.000 0.310 495 V C 0.709 176.820 176.094 0.028 0.000 1.158 495 V CA -1.145 61.169 62.300 0.023 0.000 1.029 495 V CB 2.074 33.892 31.823 -0.008 0.000 1.057 495 V HN 0.664 nan 8.190 nan 0.000 0.436 496 K N 1.177 121.589 120.400 0.020 0.000 2.186 496 K HA 0.367 4.687 4.320 -0.000 0.000 0.202 496 K C 1.062 177.673 176.600 0.019 0.000 1.052 496 K CA 1.096 57.396 56.287 0.021 0.000 0.965 496 K CB 0.040 32.549 32.500 0.015 0.000 0.746 496 K HN 0.953 nan 8.250 nan 0.000 0.457 497 A N 1.855 124.681 122.820 0.010 0.000 2.462 497 A HA 0.019 4.339 4.320 -0.000 0.000 0.243 497 A C 0.635 178.239 177.584 0.033 0.000 1.076 497 A CA 0.228 52.271 52.037 0.010 0.000 0.773 497 A CB 0.404 19.398 19.000 -0.009 0.000 1.010 497 A HN 0.175 nan 8.150 nan 0.000 0.493 498 K N -0.081 120.342 120.400 0.039 0.000 2.287 498 K HA 0.089 4.409 4.320 -0.000 0.000 0.199 498 K C 0.752 177.453 176.600 0.169 0.000 1.061 498 K CA 1.304 57.641 56.287 0.083 0.000 0.976 498 K CB 0.322 32.782 32.500 -0.066 0.000 0.898 498 K HN 0.912 nan 8.250 nan 0.000 0.492 499 T N -2.843 111.753 114.554 0.070 0.000 2.864 499 T HA 0.272 4.622 4.350 -0.000 0.000 0.289 499 T C 0.645 175.302 174.700 -0.071 0.000 1.082 499 T CA -0.828 61.292 62.100 0.033 0.000 1.009 499 T CB 1.270 70.170 68.868 0.053 0.000 1.234 499 T HN -0.258 nan 8.240 nan 0.000 0.526 500 M N 0.800 120.271 119.600 -0.214 0.000 2.659 500 M HA 0.062 4.542 4.480 -0.000 0.000 0.243 500 M C 1.069 177.230 176.300 -0.231 0.000 1.111 500 M CA 0.751 55.913 55.300 -0.231 0.000 1.070 500 M CB -1.279 31.164 32.600 -0.262 0.000 1.525 500 M HN 0.624 nan 8.290 nan 0.000 0.517 501 H N -0.511 118.562 119.070 0.004 0.000 2.539 501 H HA 0.218 4.774 4.556 -0.000 0.000 0.269 501 H C -0.055 175.270 175.328 -0.005 0.000 0.980 501 H CA 0.006 56.053 56.048 -0.001 0.000 1.152 501 H CB 0.257 30.020 29.762 0.002 0.000 1.407 501 H HN 0.260 nan 8.280 nan 0.000 0.564 502 D N 0.817 121.258 120.400 0.068 0.000 2.283 502 D HA 0.031 4.671 4.640 -0.000 0.000 0.248 502 D C 1.192 177.503 176.300 0.019 0.000 1.072 502 D CA -0.240 53.784 54.000 0.040 0.000 0.929 502 D CB 1.643 42.456 40.800 0.023 0.000 1.182 502 D HN 0.195 nan 8.370 nan 0.000 0.433 503 E N 0.080 120.288 120.200 0.014 0.000 2.108 503 E HA -0.216 4.134 4.350 -0.000 0.000 0.203 503 E C 1.545 178.141 176.600 -0.008 0.000 1.022 503 E CA 1.888 58.290 56.400 0.004 0.000 0.823 503 E CB -0.013 29.688 29.700 0.003 0.000 0.744 503 E HN 0.551 nan 8.360 nan 0.000 0.456 504 T N -1.661 112.887 114.554 -0.010 0.000 3.129 504 T HA 0.327 4.677 4.350 -0.000 0.000 0.251 504 T C 1.786 176.465 174.700 -0.035 0.000 1.117 504 T CA 0.408 62.496 62.100 -0.020 0.000 1.034 504 T CB 0.240 69.100 68.868 -0.014 0.000 0.968 504 T HN 0.192 nan 8.240 nan 0.000 0.526 505 A N 2.993 125.793 122.820 -0.033 0.000 1.881 505 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 505 A C 2.304 179.844 177.584 -0.072 0.000 1.215 505 A CA 2.465 54.471 52.037 -0.051 0.000 0.648 505 A CB -0.977 17.992 19.000 -0.053 0.000 0.832 505 A HN 0.618 nan 8.150 nan 0.000 0.455 506 K N -0.766 119.593 120.400 -0.068 0.000 2.044 506 K HA -0.229 4.091 4.320 -0.000 0.000 0.210 506 K C 1.546 178.077 176.600 -0.116 0.000 1.049 506 K CA 2.054 58.289 56.287 -0.086 0.000 0.927 506 K CB -0.280 32.178 32.500 -0.069 0.000 0.713 506 K HN 0.500 nan 8.250 nan 0.000 0.443 507 D N 0.586 120.927 120.400 -0.099 0.000 2.149 507 D HA -0.117 4.523 4.640 -0.000 0.000 0.201 507 D C 1.421 177.640 176.300 -0.135 0.000 0.972 507 D CA 0.992 54.919 54.000 -0.120 0.000 0.835 507 D CB -0.179 40.578 40.800 -0.072 0.000 0.966 507 D HN 0.314 nan 8.370 nan 0.000 0.476 508 D N 0.053 120.394 120.400 -0.098 0.000 2.218 508 D HA -0.095 4.544 4.640 -0.000 0.000 0.204 508 D C 1.868 178.090 176.300 -0.129 0.000 0.976 508 D CA 1.092 55.039 54.000 -0.089 0.000 0.853 508 D CB -0.188 40.575 40.800 -0.062 0.000 0.939 508 D HN 0.298 nan 8.370 nan 0.000 0.481 509 T N -2.359 112.104 114.554 -0.152 0.000 3.145 509 T HA 0.157 4.507 4.350 -0.000 0.000 0.255 509 T C 1.507 176.064 174.700 -0.239 0.000 1.039 509 T CA -0.417 61.582 62.100 -0.169 0.000 0.928 509 T CB 0.456 69.243 68.868 -0.135 0.000 1.029 509 T HN -0.015 nan 8.240 nan 0.000 0.554 510 R N 0.299 120.575 120.500 -0.373 0.000 2.120 510 R HA -0.057 4.283 4.340 -0.000 0.000 0.234 510 R C 0.492 176.400 176.300 -0.654 0.000 1.123 510 R CA 1.362 57.106 56.100 -0.593 0.000 0.975 510 R CB -0.147 29.606 30.300 -0.913 0.000 0.866 510 R HN 0.557 nan 8.270 nan 0.000 0.446 511 Y N -1.187 119.027 120.300 -0.143 0.000 2.636 511 Y HA 0.504 5.054 4.550 -0.000 0.000 0.260 511 Y C 0.447 176.236 175.900 -0.187 0.000 1.177 511 Y CA -0.008 57.993 58.100 -0.164 0.000 1.209 511 Y CB 1.379 39.727 38.460 -0.187 0.000 1.166 511 Y HN 0.172 nan 8.280 nan 0.000 0.531 512 G N -0.989 107.751 108.800 -0.100 0.000 2.355 512 G HA2 0.312 4.272 3.960 -0.000 0.000 0.296 512 G HA3 0.312 4.272 3.960 -0.000 0.000 0.296 512 G C -1.159 173.661 174.900 -0.133 0.000 1.507 512 G CA -0.992 44.035 45.100 -0.122 0.000 0.823 512 G HN -0.180 nan 8.290 nan 0.000 0.569 513 T N 0.568 115.045 114.554 -0.127 0.000 2.913 513 T HA 0.371 4.721 4.350 -0.000 0.000 0.297 513 T C 0.304 174.926 174.700 -0.129 0.000 1.029 513 T CA -0.047 61.985 62.100 -0.114 0.000 1.104 513 T CB 1.342 70.156 68.868 -0.091 0.000 0.964 513 T HN 0.644 nan 8.240 nan 0.000 0.532 514 L N 5.295 126.448 121.223 -0.116 0.000 2.363 514 L HA 0.336 4.676 4.340 -0.000 0.000 0.286 514 L C 0.938 177.728 176.870 -0.133 0.000 1.106 514 L CA 0.067 54.834 54.840 -0.123 0.000 0.859 514 L CB -0.439 41.564 42.059 -0.092 0.000 1.223 514 L HN 0.722 nan 8.230 nan 0.000 0.446 515 I N -0.130 120.320 120.570 -0.199 0.000 3.783 515 I HA 0.402 4.572 4.170 -0.000 0.000 0.310 515 I C -0.128 175.861 176.117 -0.213 0.000 1.274 515 I CA 0.125 61.313 61.300 -0.187 0.000 1.294 515 I CB 0.188 38.072 38.000 -0.194 0.000 1.051 515 I HN 0.469 nan 8.210 nan 0.000 0.435 516 D N -0.121 120.115 120.400 -0.274 0.000 2.639 516 D HA 0.312 4.952 4.640 -0.000 0.000 0.271 516 D C -1.050 175.160 176.300 -0.149 0.000 1.254 516 D CA -0.533 53.329 54.000 -0.231 0.000 0.810 516 D CB 1.391 42.076 40.800 -0.192 0.000 1.351 516 D HN 0.168 nan 8.370 nan 0.000 0.427 517 H N 1.187 120.268 119.070 0.018 0.000 3.004 517 H HA 0.195 4.751 4.556 -0.000 0.000 0.316 517 H C 0.398 175.732 175.328 0.010 0.000 1.014 517 H CA 0.672 56.731 56.048 0.017 0.000 1.454 517 H CB 0.013 29.804 29.762 0.049 0.000 1.472 517 H HN 0.397 nan 8.280 nan 0.000 0.571 518 N N 0.741 119.506 118.700 0.110 0.000 2.828 518 N HA -0.199 4.541 4.740 -0.000 0.000 0.248 518 N C -1.091 174.423 175.510 0.007 0.000 1.044 518 N CA 0.857 53.943 53.050 0.060 0.000 0.851 518 N CB -0.892 37.652 38.487 0.095 0.000 1.136 518 N HN 0.468 nan 8.380 nan 0.000 0.572 519 I N 0.678 121.205 120.570 -0.072 0.000 2.447 519 I HA 0.375 4.545 4.170 -0.000 0.000 0.287 519 I C -0.508 175.459 176.117 -0.250 0.000 1.023 519 I CA -0.899 60.287 61.300 -0.189 0.000 1.083 519 I CB 1.859 39.638 38.000 -0.369 0.000 1.245 519 I HN -0.235 nan 8.210 nan 0.000 0.434 520 V N 5.052 124.850 119.914 -0.193 0.000 2.417 520 V HA 0.474 4.594 4.120 -0.000 0.000 0.291 520 V C 0.616 176.586 176.094 -0.206 0.000 1.024 520 V CA -0.512 61.669 62.300 -0.198 0.000 0.861 520 V CB 1.802 33.527 31.823 -0.164 0.000 0.985 520 V HN 0.864 nan 8.190 nan 0.000 0.436 521 G N 3.083 111.762 108.800 -0.202 0.000 2.519 521 G HA2 0.316 4.276 3.960 -0.000 0.000 0.306 521 G HA3 0.316 4.276 3.960 -0.000 0.000 0.306 521 G C 0.287 175.130 174.900 -0.096 0.000 0.965 521 G CA -0.141 44.883 45.100 -0.127 0.000 1.291 521 G HN 0.651 nan 8.290 nan 0.000 0.450 522 T N 2.518 117.014 114.554 -0.096 0.000 2.908 522 T HA 0.099 4.449 4.350 -0.000 0.000 0.301 522 T C 1.142 175.933 174.700 0.152 0.000 1.019 522 T CA 0.392 62.423 62.100 -0.114 0.000 1.152 522 T CB 0.513 69.062 68.868 -0.530 0.000 0.966 522 T HN 0.423 nan 8.240 nan 0.000 0.540 523 T N 5.361 119.917 114.554 0.003 0.000 2.932 523 T HA 0.246 4.596 4.350 -0.000 0.000 0.312 523 T C 0.287 174.950 174.700 -0.063 0.000 1.071 523 T CA -0.146 61.888 62.100 -0.110 0.000 1.128 523 T CB 0.007 68.794 68.868 -0.136 0.000 0.984 523 T HN 0.851 nan 8.240 nan 0.000 0.549 524 H N 0.066 118.941 119.070 -0.325 0.000 2.883 524 H HA 0.483 5.039 4.556 -0.000 0.000 0.277 524 H C -1.401 173.697 175.328 -0.384 0.000 1.451 524 H CA -1.081 54.642 56.048 -0.541 0.000 1.157 524 H CB 1.050 30.003 29.762 -1.348 0.000 1.851 524 H HN 0.519 nan 8.280 nan 0.000 0.566 525 Q N -0.036 119.573 119.800 -0.318 0.000 2.458 525 Q HA 0.371 4.710 4.340 -0.000 0.000 0.282 525 Q C -1.092 174.735 176.000 -0.289 0.000 1.106 525 Q CA -0.967 54.696 55.803 -0.232 0.000 0.814 525 Q CB 2.875 31.553 28.738 -0.100 0.000 1.425 525 Q HN 0.499 nan 8.270 nan 0.000 0.437 526 H N 1.359 120.399 119.070 -0.049 0.000 2.708 526 H HA 0.441 4.997 4.556 -0.000 0.000 0.320 526 H C -0.940 174.166 175.328 -0.371 0.000 0.991 526 H CA -0.248 55.687 56.048 -0.188 0.000 1.243 526 H CB 0.742 30.439 29.762 -0.108 0.000 1.446 526 H HN 0.448 nan 8.280 nan 0.000 0.502 527 I N 4.984 125.368 120.570 -0.309 0.000 2.420 527 I HA 0.169 4.339 4.170 -0.000 0.000 0.282 527 I C -0.786 175.218 176.117 -0.189 0.000 1.019 527 I CA -0.665 60.520 61.300 -0.191 0.000 1.130 527 I CB 0.688 38.646 38.000 -0.070 0.000 1.262 527 I HN 0.346 nan 8.210 nan 0.000 0.454 528 Y N 4.267 124.652 120.300 0.142 0.000 2.387 528 Y HA 0.452 5.002 4.550 -0.000 0.000 0.330 528 Y C 0.191 176.052 175.900 -0.065 0.000 1.133 528 Y CA -0.874 57.225 58.100 -0.003 0.000 1.152 528 Y CB 1.140 39.578 38.460 -0.036 0.000 1.215 528 Y HN 0.497 nan 8.280 nan 0.000 0.466 529 N N 1.442 120.067 118.700 -0.127 0.000 2.352 529 N HA 0.501 5.241 4.740 -0.000 0.000 0.291 529 N C -2.122 173.196 175.510 -0.319 0.000 1.040 529 N CA -0.456 52.549 53.050 -0.075 0.000 0.864 529 N CB 0.841 39.322 38.487 -0.009 0.000 1.440 529 N HN 0.369 nan 8.380 nan 0.000 0.483 530 F N 1.572 121.641 119.950 0.197 0.000 2.436 530 F HA 0.453 4.980 4.527 -0.000 0.000 0.340 530 F C 0.771 176.587 175.800 0.026 0.000 1.113 530 F CA -0.808 57.260 58.000 0.112 0.000 1.022 530 F CB 1.448 40.475 39.000 0.045 0.000 1.128 530 F HN 0.294 nan 8.300 nan 0.000 0.466 531 R N 4.916 125.437 120.500 0.036 0.000 2.215 531 R HA 0.573 4.913 4.340 -0.000 0.000 0.336 531 R C -1.746 174.393 176.300 -0.268 0.000 0.996 531 R CA -0.383 55.433 56.100 -0.473 0.000 0.847 531 R CB 0.283 30.093 30.300 -0.817 0.000 1.127 531 R HN 0.797 nan 8.270 nan 0.000 0.465 532 L N 4.533 125.594 121.223 -0.270 0.000 2.337 532 L HA 0.267 4.607 4.340 -0.000 0.000 0.269 532 L C -0.385 176.405 176.870 -0.134 0.000 1.018 532 L CA -0.827 53.939 54.840 -0.123 0.000 0.876 532 L CB 1.515 43.558 42.059 -0.027 0.000 1.236 532 L HN 0.541 nan 8.230 nan 0.000 0.436 533 D N 4.186 124.524 120.400 -0.104 0.000 2.545 533 D HA 0.191 4.831 4.640 -0.000 0.000 0.227 533 D C 0.001 176.332 176.300 0.050 0.000 1.150 533 D CA 0.005 53.998 54.000 -0.011 0.000 1.046 533 D CB 0.147 40.989 40.800 0.070 0.000 1.098 533 D HN 0.328 nan 8.370 nan 0.000 0.502 534 L N 1.992 123.229 121.223 0.024 0.000 2.416 534 L HA 0.218 4.558 4.340 -0.000 0.000 0.272 534 L C 0.216 177.132 176.870 0.077 0.000 1.161 534 L CA 0.055 54.912 54.840 0.029 0.000 0.845 534 L CB 0.702 42.750 42.059 -0.018 0.000 1.119 534 L HN 0.138 nan 8.230 nan 0.000 0.464 535 D N 2.331 122.801 120.400 0.117 0.000 2.404 535 D HA 0.171 4.811 4.640 -0.000 0.000 0.267 535 D C -0.500 175.853 176.300 0.088 0.000 1.194 535 D CA -0.250 53.817 54.000 0.112 0.000 0.910 535 D CB 1.563 42.470 40.800 0.179 0.000 1.090 535 D HN 0.025 nan 8.370 nan 0.000 0.511 536 V N 2.561 122.535 119.914 0.100 0.000 2.416 536 V HA -0.031 4.089 4.120 -0.000 0.000 0.260 536 V C 1.055 177.290 176.094 0.235 0.000 1.018 536 V CA 0.174 62.597 62.300 0.205 0.000 1.120 536 V CB -0.043 31.931 31.823 0.253 0.000 1.081 536 V HN 0.558 nan 8.190 nan 0.000 0.474 537 D N 3.357 123.935 120.400 0.296 0.000 2.983 537 D HA -0.143 4.497 4.640 -0.000 0.000 0.225 537 D C 0.372 176.650 176.300 -0.036 0.000 1.174 537 D CA 1.813 55.881 54.000 0.114 0.000 0.831 537 D CB -0.968 39.808 40.800 -0.039 0.000 1.104 537 D HN 1.216 nan 8.370 nan 0.000 0.421 538 G N -1.448 107.315 108.800 -0.061 0.000 2.350 538 G HA2 0.159 4.119 3.960 -0.000 0.000 0.304 538 G HA3 0.159 4.119 3.960 -0.000 0.000 0.304 538 G C 0.032 174.885 174.900 -0.080 0.000 1.421 538 G CA 0.247 45.275 45.100 -0.120 0.000 0.934 538 G HN 0.070 nan 8.290 nan 0.000 0.632 539 E N -0.393 119.751 120.200 -0.094 0.000 2.028 539 E HA -0.066 4.284 4.350 -0.000 0.000 0.190 539 E C 0.478 177.068 176.600 -0.016 0.000 0.984 539 E CA 0.564 56.932 56.400 -0.054 0.000 0.800 539 E CB -0.078 29.583 29.700 -0.066 0.000 0.758 539 E HN 0.393 nan 8.360 nan 0.000 0.448 540 N N 2.346 121.037 118.700 -0.014 0.000 2.399 540 N HA 0.069 4.809 4.740 -0.000 0.000 0.259 540 N C -0.824 174.696 175.510 0.017 0.000 1.160 540 N CA 0.271 53.324 53.050 0.006 0.000 0.946 540 N CB 0.551 39.039 38.487 0.002 0.000 1.156 540 N HN 0.166 nan 8.380 nan 0.000 0.489 541 N N 0.083 118.802 118.700 0.031 0.000 2.629 541 N HA 0.477 5.217 4.740 -0.000 0.000 0.279 541 N C -0.801 174.734 175.510 0.042 0.000 1.344 541 N CA -0.481 52.594 53.050 0.042 0.000 0.789 541 N CB 1.401 39.922 38.487 0.056 0.000 1.508 541 N HN 0.195 nan 8.380 nan 0.000 0.516 542 S N 0.159 115.884 115.700 0.041 0.000 2.564 542 S HA 0.453 4.923 4.470 -0.000 0.000 0.274 542 S C -1.178 173.439 174.600 0.028 0.000 1.124 542 S CA -0.590 57.632 58.200 0.036 0.000 0.869 542 S CB 2.000 65.217 63.200 0.029 0.000 1.105 542 S HN 0.428 nan 8.310 nan 0.000 0.472 543 L N 3.086 124.324 121.223 0.025 0.000 2.265 543 L HA 0.641 4.981 4.340 -0.000 0.000 0.288 543 L C -1.204 175.644 176.870 -0.037 0.000 1.058 543 L CA -0.041 54.803 54.840 0.007 0.000 0.809 543 L CB 0.557 42.633 42.059 0.029 0.000 1.179 543 L HN 0.481 nan 8.230 nan 0.000 0.429 544 V N 5.149 125.013 119.914 -0.083 0.000 2.540 544 V HA 0.799 4.919 4.120 -0.000 0.000 0.302 544 V C 0.192 176.130 176.094 -0.259 0.000 1.035 544 V CA -0.577 61.628 62.300 -0.157 0.000 0.873 544 V CB 1.377 33.122 31.823 -0.130 0.000 0.992 544 V HN 0.941 nan 8.190 nan 0.000 0.428 545 A N 5.859 128.408 122.820 -0.451 0.000 2.303 545 A HA 0.946 5.266 4.320 -0.000 0.000 0.317 545 A C -0.451 176.834 177.584 -0.498 0.000 1.149 545 A CA -0.543 51.153 52.037 -0.569 0.000 0.822 545 A CB 0.867 19.205 19.000 -1.104 0.000 1.131 545 A HN 0.842 nan 8.150 nan 0.000 0.493 546 M N 2.678 122.089 119.600 -0.316 0.000 2.060 546 M HA 0.241 4.721 4.480 -0.000 0.000 0.275 546 M C -1.754 174.483 176.300 -0.106 0.000 0.919 546 M CA -0.396 54.789 55.300 -0.192 0.000 0.970 546 M CB 1.889 34.371 32.600 -0.197 0.000 1.670 546 M HN 0.564 nan 8.290 nan 0.000 0.440 547 D N 4.874 125.265 120.400 -0.015 0.000 2.392 547 D HA 0.370 5.010 4.640 -0.000 0.000 0.228 547 D C -2.498 173.819 176.300 0.028 0.000 1.074 547 D CA -1.437 52.575 54.000 0.018 0.000 0.838 547 D CB 1.225 42.078 40.800 0.088 0.000 1.067 547 D HN 0.148 nan 8.370 nan 0.000 0.511 548 P HA 0.005 nan 4.420 nan 0.000 0.267 548 P C -0.314 177.001 177.300 0.024 0.000 1.209 548 P CA -0.178 62.937 63.100 0.026 0.000 0.763 548 P CB 0.716 32.432 31.700 0.026 0.000 0.816 549 V N 1.452 121.383 119.914 0.028 0.000 3.102 549 V HA 0.595 4.715 4.120 -0.000 0.000 0.312 549 V C -0.560 175.546 176.094 0.020 0.000 1.135 549 V CA -1.135 61.178 62.300 0.023 0.000 1.022 549 V CB 2.247 34.085 31.823 0.025 0.000 1.056 549 V HN 0.088 nan 8.190 nan 0.000 0.436 550 V N 2.280 122.202 119.914 0.015 0.000 2.370 550 V HA 0.526 4.646 4.120 -0.000 0.000 0.279 550 V C 0.161 176.262 176.094 0.011 0.000 1.029 550 V CA -0.333 61.974 62.300 0.013 0.000 0.870 550 V CB 0.864 32.693 31.823 0.010 0.000 0.984 550 V HN 0.943 nan 8.190 nan 0.000 0.451 551 K N 5.346 125.753 120.400 0.012 0.000 2.328 551 K HA 0.553 4.873 4.320 -0.000 0.000 0.246 551 K C -2.801 173.804 176.600 0.008 0.000 0.955 551 K CA -2.050 54.243 56.287 0.010 0.000 0.817 551 K CB 2.444 34.951 32.500 0.012 0.000 1.208 551 K HN 0.299 nan 8.250 nan 0.000 0.432 552 P HA -0.072 nan 4.420 nan 0.000 0.268 552 P C -0.894 176.410 177.300 0.006 0.000 1.205 552 P CA -0.009 63.094 63.100 0.005 0.000 0.771 552 P CB 0.321 32.023 31.700 0.004 0.000 0.858 553 N N 1.602 120.305 118.700 0.006 0.000 2.497 553 N HA 0.076 4.816 4.740 -0.000 0.000 0.271 553 N C 0.344 175.857 175.510 0.005 0.000 1.142 553 N CA -0.055 52.998 53.050 0.006 0.000 0.965 553 N CB 0.427 38.917 38.487 0.005 0.000 1.077 553 N HN 0.379 nan 8.380 nan 0.000 0.462 554 T N -0.092 114.465 114.554 0.005 0.000 3.091 554 T HA 0.285 4.635 4.350 -0.000 0.000 0.277 554 T C 0.986 175.689 174.700 0.004 0.000 0.996 554 T CA -0.177 61.926 62.100 0.005 0.000 0.897 554 T CB 0.408 69.279 68.868 0.005 0.000 1.109 554 T HN 0.440 nan 8.240 nan 0.000 0.534 555 A N 0.958 123.781 122.820 0.005 0.000 2.275 555 A HA 0.730 5.050 4.320 -0.000 0.000 0.212 555 A C 1.453 179.039 177.584 0.003 0.000 1.201 555 A CA 0.291 52.330 52.037 0.004 0.000 0.843 555 A CB -0.732 18.270 19.000 0.005 0.000 0.873 555 A HN 1.467 nan 8.150 nan 0.000 0.492 556 G N -2.273 106.529 108.800 0.003 0.000 2.710 556 G HA2 0.483 4.443 3.960 -0.000 0.000 0.668 556 G HA3 0.483 4.443 3.960 -0.000 0.000 0.668 556 G C 0.671 175.572 174.900 0.003 0.000 1.320 556 G CA -0.157 44.944 45.100 0.003 0.000 0.860 556 G HN 2.472 nan 8.290 nan 0.000 0.538 557 G N -1.299 107.502 108.800 0.002 0.000 2.756 557 G HA2 0.281 4.241 3.960 -0.000 0.000 0.678 557 G HA3 0.281 4.241 3.960 -0.000 0.000 0.678 557 G C -0.820 174.081 174.900 0.002 0.000 1.349 557 G CA 0.485 45.587 45.100 0.002 0.000 0.847 557 G HN 1.384 nan 8.290 nan 0.000 0.548 558 P HA 0.013 nan 4.420 nan 0.000 0.219 558 P C 0.984 178.286 177.300 0.003 0.000 1.146 558 P CA 0.649 63.751 63.100 0.003 0.000 0.808 558 P CB 0.105 31.806 31.700 0.002 0.000 0.779 559 R N 0.102 120.604 120.500 0.003 0.000 2.537 559 R HA 0.087 4.427 4.340 -0.000 0.000 0.280 559 R C 1.449 177.751 176.300 0.004 0.000 1.058 559 R CA 0.770 56.873 56.100 0.004 0.000 1.057 559 R CB -0.042 30.261 30.300 0.005 0.000 0.973 559 R HN 0.206 nan 8.270 nan 0.000 0.438 560 T N -2.391 112.165 114.554 0.004 0.000 3.051 560 T HA 0.029 4.379 4.350 -0.000 0.000 0.255 560 T C 0.848 175.551 174.700 0.005 0.000 1.085 560 T CA 0.337 62.439 62.100 0.004 0.000 1.109 560 T CB 0.205 69.075 68.868 0.004 0.000 0.921 560 T HN 0.532 nan 8.240 nan 0.000 0.488 561 S N 0.746 116.450 115.700 0.006 0.000 2.651 561 S HA 0.734 5.204 4.470 -0.000 0.000 0.279 561 S C -0.596 174.009 174.600 0.008 0.000 1.148 561 S CA -0.422 57.782 58.200 0.007 0.000 0.837 561 S CB 1.957 65.161 63.200 0.007 0.000 1.138 561 S HN 0.685 nan 8.310 nan 0.000 0.478 562 T N -1.533 113.027 114.554 0.010 0.000 2.883 562 T HA 0.678 5.027 4.350 -0.000 0.000 0.296 562 T C -0.735 173.973 174.700 0.015 0.000 1.117 562 T CA -0.959 61.148 62.100 0.012 0.000 1.006 562 T CB 1.252 70.127 68.868 0.012 0.000 1.191 562 T HN 0.670 nan 8.240 nan 0.000 0.508 563 M N 2.172 121.782 119.600 0.017 0.000 2.061 563 M HA 0.419 4.899 4.480 -0.000 0.000 0.346 563 M C -0.201 176.115 176.300 0.026 0.000 1.112 563 M CA -0.415 54.898 55.300 0.022 0.000 1.021 563 M CB 1.266 33.880 32.600 0.023 0.000 1.530 563 M HN 0.617 nan 8.290 nan 0.000 0.437 564 Q N 1.518 121.335 119.800 0.029 0.000 2.587 564 Q HA 0.792 5.132 4.340 -0.000 0.000 0.293 564 Q C -1.362 174.662 176.000 0.041 0.000 1.083 564 Q CA -1.054 54.770 55.803 0.034 0.000 0.792 564 Q CB 3.456 32.211 28.738 0.029 0.000 1.484 564 Q HN 0.464 nan 8.270 nan 0.000 0.446 565 V N 1.387 121.330 119.914 0.048 0.000 2.604 565 V HA 0.312 4.432 4.120 -0.000 0.000 0.305 565 V C -0.664 175.468 176.094 0.063 0.000 1.043 565 V CA -0.890 61.441 62.300 0.053 0.000 0.888 565 V CB 1.895 33.751 31.823 0.056 0.000 0.995 565 V HN 0.638 nan 8.190 nan 0.000 0.429 566 N N 3.917 122.666 118.700 0.082 0.000 2.500 566 N HA 0.232 4.972 4.740 -0.000 0.000 0.236 566 N C -0.585 175.036 175.510 0.185 0.000 1.022 566 N CA -0.038 53.094 53.050 0.136 0.000 0.935 566 N CB 1.394 39.978 38.487 0.161 0.000 1.147 566 N HN 0.805 nan 8.380 nan 0.000 0.512 567 Q N 3.547 123.441 119.800 0.157 0.000 2.282 567 Q HA 0.384 4.723 4.340 -0.000 0.000 0.260 567 Q C -1.590 174.538 176.000 0.212 0.000 0.964 567 Q CA -0.690 55.166 55.803 0.087 0.000 0.880 567 Q CB 0.990 29.747 28.738 0.031 0.000 1.286 567 Q HN 0.571 nan 8.270 nan 0.000 0.445 568 Y N -0.143 120.152 120.300 -0.009 0.000 2.573 568 Y HA 0.429 4.979 4.550 -0.000 0.000 0.328 568 Y C -1.675 174.224 175.900 -0.002 0.000 1.170 568 Y CA -1.475 56.623 58.100 -0.003 0.000 1.078 568 Y CB 0.354 38.812 38.460 -0.002 0.000 1.341 568 Y HN 0.548 nan 8.280 nan 0.000 0.459 569 N N 1.774 120.541 118.700 0.112 0.000 2.503 569 N HA 0.502 5.242 4.740 -0.000 0.000 0.267 569 N C -1.125 174.453 175.510 0.113 0.000 1.214 569 N CA -0.268 52.810 53.050 0.048 0.000 0.959 569 N CB 0.954 39.472 38.487 0.053 0.000 1.142 569 N HN 0.706 nan 8.380 nan 0.000 0.455 570 I N 0.937 121.541 120.570 0.056 0.000 2.388 570 I HA 0.251 4.421 4.170 -0.000 0.000 0.281 570 I C 1.316 177.474 176.117 0.069 0.000 1.046 570 I CA -0.303 61.048 61.300 0.085 0.000 1.187 570 I CB 1.202 39.234 38.000 0.053 0.000 1.351 570 I HN 0.722 nan 8.210 nan 0.000 0.472 571 G N 5.558 114.403 108.800 0.074 0.000 2.650 571 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.214 571 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.214 571 G C 0.370 175.307 174.900 0.062 0.000 1.136 571 G CA 0.031 45.169 45.100 0.063 0.000 0.789 571 G HN 0.718 nan 8.290 nan 0.000 0.536 572 N N -1.868 116.870 118.700 0.064 0.000 2.525 572 N HA 0.219 4.959 4.740 -0.000 0.000 0.270 572 N C 0.172 175.727 175.510 0.075 0.000 1.321 572 N CA -0.654 52.437 53.050 0.068 0.000 0.797 572 N CB 1.277 39.800 38.487 0.061 0.000 1.529 572 N HN -0.062 nan 8.380 nan 0.000 0.491 573 E N 0.022 120.276 120.200 0.091 0.000 2.130 573 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 573 E C 1.227 177.881 176.600 0.090 0.000 0.998 573 E CA 1.535 58.004 56.400 0.115 0.000 0.806 573 E CB -0.017 29.769 29.700 0.144 0.000 0.738 573 E HN 0.521 nan 8.360 nan 0.000 0.459 574 Q N 0.648 120.490 119.800 0.069 0.000 2.079 574 Q HA -0.144 4.196 4.340 -0.000 0.000 0.200 574 Q C 1.655 177.654 176.000 -0.001 0.000 0.974 574 Q CA 1.117 56.942 55.803 0.037 0.000 0.840 574 Q CB -0.133 28.630 28.738 0.041 0.000 0.898 574 Q HN 0.339 nan 8.270 nan 0.000 0.430 575 D N 0.272 120.684 120.400 0.020 0.000 2.224 575 D HA -0.025 4.615 4.640 -0.000 0.000 0.205 575 D C 1.589 177.889 176.300 -0.000 0.000 0.965 575 D CA 0.990 54.999 54.000 0.016 0.000 0.852 575 D CB 0.036 40.864 40.800 0.047 0.000 0.947 575 D HN 0.197 nan 8.370 nan 0.000 0.494 576 A N 0.817 123.643 122.820 0.010 0.000 2.066 576 A HA 0.157 4.477 4.320 -0.000 0.000 0.218 576 A C 1.484 179.010 177.584 -0.097 0.000 1.157 576 A CA 0.809 52.851 52.037 0.008 0.000 0.670 576 A CB -0.232 18.812 19.000 0.074 0.000 0.804 576 A HN 0.164 nan 8.150 nan 0.000 0.453 577 A N 0.904 123.590 122.820 -0.222 0.000 2.544 577 A HA 0.500 4.820 4.320 -0.000 0.000 0.301 577 A C 0.195 177.479 177.584 -0.500 0.000 1.368 577 A CA -0.197 51.438 52.037 -0.669 0.000 1.045 577 A CB -0.590 17.911 19.000 -0.831 0.000 1.129 577 A HN 0.691 nan 8.150 nan 0.000 0.540 578 Q N 1.521 121.075 119.800 -0.409 0.000 2.626 578 Q HA 0.573 4.913 4.340 -0.000 0.000 0.300 578 Q C -1.095 174.846 176.000 -0.098 0.000 0.988 578 Q CA -1.388 54.296 55.803 -0.198 0.000 0.761 578 Q CB 0.969 29.665 28.738 -0.070 0.000 1.494 578 Q HN 0.273 nan 8.270 nan 0.000 0.439 579 K N 0.555 120.942 120.400 -0.022 0.000 2.202 579 K HA 0.354 4.674 4.320 -0.000 0.000 0.264 579 K C -1.110 175.573 176.600 0.139 0.000 1.010 579 K CA -0.217 56.098 56.287 0.047 0.000 0.940 579 K CB 0.468 32.983 32.500 0.025 0.000 0.983 579 K HN 0.591 nan 8.250 nan 0.000 0.475 580 F N 2.057 122.023 119.950 0.026 0.000 2.426 580 F HA 0.147 4.674 4.527 -0.000 0.000 0.348 580 F C -0.242 175.595 175.800 0.062 0.000 1.124 580 F CA -1.339 56.692 58.000 0.052 0.000 1.008 580 F CB 0.986 40.042 39.000 0.094 0.000 1.139 580 F HN 0.359 nan 8.300 nan 0.000 0.452 581 D N 8.784 128.839 120.400 -0.575 0.000 2.359 581 D HA 0.305 4.945 4.640 -0.000 0.000 0.230 581 D C -1.929 173.814 176.300 -0.929 0.000 1.118 581 D CA -2.708 51.006 54.000 -0.476 0.000 0.844 581 D CB 1.843 42.483 40.800 -0.268 0.000 1.059 581 D HN 0.277 nan 8.370 nan 0.000 0.493 582 P HA 0.007 nan 4.420 nan 0.000 0.231 582 P C 1.083 178.267 177.300 -0.193 0.000 1.158 582 P CA 0.448 63.344 63.100 -0.340 0.000 0.763 582 P CB 0.228 32.023 31.700 0.159 0.000 0.805 583 G N -0.454 108.225 108.800 -0.202 0.000 2.880 583 G HA2 0.009 3.969 3.960 -0.000 0.000 0.209 583 G HA3 0.009 3.969 3.960 -0.000 0.000 0.209 583 G C 0.689 175.523 174.900 -0.110 0.000 1.157 583 G CA 0.530 45.570 45.100 -0.100 0.000 0.779 583 G HN 0.427 nan 8.290 nan 0.000 0.539 584 T N -1.775 112.654 114.554 -0.209 0.000 2.922 584 T HA 0.726 5.076 4.350 -0.000 0.000 0.281 584 T C -0.432 174.212 174.700 -0.094 0.000 1.005 584 T CA -0.857 61.156 62.100 -0.146 0.000 0.982 584 T CB 2.179 70.954 68.868 -0.155 0.000 1.158 584 T HN -0.072 nan 8.240 nan 0.000 0.566 585 I N 0.952 121.470 120.570 -0.087 0.000 2.465 585 I HA 0.517 4.687 4.170 -0.000 0.000 0.291 585 I C -0.165 175.878 176.117 -0.124 0.000 1.014 585 I CA -1.103 60.127 61.300 -0.117 0.000 1.093 585 I CB 1.836 39.647 38.000 -0.315 0.000 1.267 585 I HN 0.399 nan 8.210 nan 0.000 0.431 586 R N 7.013 127.488 120.500 -0.042 0.000 2.451 586 R HA 0.660 5.000 4.340 -0.000 0.000 0.307 586 R C -1.286 174.945 176.300 -0.115 0.000 0.965 586 R CA -0.693 55.379 56.100 -0.048 0.000 0.865 586 R CB 1.905 32.263 30.300 0.098 0.000 1.174 586 R HN 0.565 nan 8.270 nan 0.000 0.455 587 L N 3.052 124.174 121.223 -0.168 0.000 2.342 587 L HA 0.548 4.888 4.340 -0.000 0.000 0.271 587 L C -0.500 176.343 176.870 -0.045 0.000 1.008 587 L CA -1.333 53.422 54.840 -0.141 0.000 0.818 587 L CB 1.942 43.848 42.059 -0.255 0.000 1.296 587 L HN 0.243 nan 8.230 nan 0.000 0.427 588 L N 1.861 123.099 121.223 0.025 0.000 2.295 588 L HA 0.480 4.820 4.340 -0.000 0.000 0.281 588 L C -0.406 176.517 176.870 0.088 0.000 1.018 588 L CA 0.380 55.257 54.840 0.061 0.000 0.841 588 L CB 1.109 43.218 42.059 0.083 0.000 1.218 588 L HN 0.520 nan 8.230 nan 0.000 0.424 589 S N 3.350 119.086 115.700 0.061 0.000 2.621 589 S HA 0.517 4.987 4.470 -0.000 0.000 0.302 589 S C -0.552 174.091 174.600 0.072 0.000 1.093 589 S CA -0.741 57.505 58.200 0.077 0.000 1.017 589 S CB 1.423 64.648 63.200 0.041 0.000 1.077 589 S HN 0.633 nan 8.310 nan 0.000 0.517 590 N N 2.359 121.103 118.700 0.074 0.000 2.558 590 N HA 0.290 5.030 4.740 -0.000 0.000 0.242 590 N C -2.113 173.411 175.510 0.023 0.000 0.979 590 N CA -2.176 50.901 53.050 0.045 0.000 0.931 590 N CB 1.326 39.838 38.487 0.042 0.000 1.122 590 N HN 0.204 nan 8.380 nan 0.000 0.508 591 P HA -0.002 nan 4.420 nan 0.000 0.234 591 P C 0.065 177.366 177.300 0.001 0.000 1.167 591 P CA 0.741 63.848 63.100 0.012 0.000 0.763 591 P CB 0.493 32.202 31.700 0.015 0.000 0.835 592 N N -0.106 118.590 118.700 -0.007 0.000 2.282 592 N HA 0.069 4.809 4.740 -0.000 0.000 0.185 592 N C 0.363 175.853 175.510 -0.032 0.000 1.099 592 N CA 0.369 53.408 53.050 -0.018 0.000 0.878 592 N CB 0.633 39.108 38.487 -0.020 0.000 0.993 592 N HN 0.324 nan 8.380 nan 0.000 0.481 593 K N 1.064 121.441 120.400 -0.040 0.000 2.427 593 K HA 0.403 4.723 4.320 -0.000 0.000 0.252 593 K C -0.675 175.885 176.600 -0.066 0.000 0.931 593 K CA -0.522 55.724 56.287 -0.067 0.000 0.793 593 K CB 2.449 34.887 32.500 -0.103 0.000 1.211 593 K HN 0.014 nan 8.250 nan 0.000 0.426 594 E N 1.151 121.307 120.200 -0.073 0.000 2.359 594 E HA 0.203 4.553 4.350 -0.000 0.000 0.266 594 E C -0.941 175.605 176.600 -0.092 0.000 0.920 594 E CA -1.085 55.278 56.400 -0.062 0.000 0.788 594 E CB 1.835 31.514 29.700 -0.036 0.000 1.279 594 E HN 0.682 nan 8.360 nan 0.000 0.438 595 N N -0.084 118.567 118.700 -0.080 0.000 2.405 595 N HA 0.163 4.903 4.740 -0.000 0.000 0.269 595 N C 0.841 176.316 175.510 -0.059 0.000 1.249 595 N CA -0.833 52.162 53.050 -0.091 0.000 0.974 595 N CB 1.335 39.772 38.487 -0.082 0.000 1.204 595 N HN 0.424 nan 8.380 nan 0.000 0.565 596 R N -0.811 119.658 120.500 -0.052 0.000 2.185 596 R HA -0.142 4.198 4.340 -0.000 0.000 0.247 596 R C 0.631 176.912 176.300 -0.032 0.000 1.159 596 R CA 1.690 57.767 56.100 -0.038 0.000 0.988 596 R CB -0.187 30.094 30.300 -0.033 0.000 0.871 596 R HN 0.625 nan 8.270 nan 0.000 0.458 597 M N -0.849 118.732 119.600 -0.031 0.000 2.431 597 M HA 0.256 4.736 4.480 -0.000 0.000 0.237 597 M C 0.857 177.148 176.300 -0.015 0.000 1.130 597 M CA 0.496 55.782 55.300 -0.024 0.000 1.002 597 M CB 1.001 33.585 32.600 -0.027 0.000 1.524 597 M HN 0.337 nan 8.290 nan 0.000 0.482 598 G N 0.666 109.455 108.800 -0.018 0.000 2.148 598 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.254 598 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.254 598 G C 0.005 174.906 174.900 0.002 0.000 0.981 598 G CA 0.023 45.117 45.100 -0.010 0.000 0.670 598 G HN 0.520 nan 8.290 nan 0.000 0.528 599 N N 1.442 120.146 118.700 0.006 0.000 2.456 599 N HA 0.528 5.268 4.740 -0.000 0.000 0.288 599 N C -2.619 172.910 175.510 0.031 0.000 1.059 599 N CA -1.696 51.376 53.050 0.036 0.000 0.946 599 N CB 1.484 40.006 38.487 0.057 0.000 1.150 599 N HN -0.026 nan 8.380 nan 0.000 0.479 600 P HA -0.050 nan 4.420 nan 0.000 0.263 600 P C -0.388 176.950 177.300 0.063 0.000 1.195 600 P CA -0.279 62.845 63.100 0.039 0.000 0.762 600 P CB 0.260 31.988 31.700 0.047 0.000 0.799 601 V N 1.955 121.878 119.914 0.015 0.000 2.617 601 V HA 0.341 4.461 4.120 -0.000 0.000 0.304 601 V C 0.069 176.278 176.094 0.191 0.000 1.040 601 V CA 0.449 62.767 62.300 0.030 0.000 1.149 601 V CB -0.398 31.307 31.823 -0.196 0.000 0.914 601 V HN 0.512 nan 8.190 nan 0.000 0.487 602 S N 3.105 118.978 115.700 0.288 0.000 2.671 602 S HA 0.740 5.210 4.470 -0.000 0.000 0.277 602 S C -1.451 173.294 174.600 0.241 0.000 1.165 602 S CA -0.543 57.827 58.200 0.283 0.000 0.822 602 S CB 1.687 65.006 63.200 0.198 0.000 1.150 602 S HN 0.754 nan 8.310 nan 0.000 0.479 603 Y N 1.613 121.979 120.300 0.110 0.000 2.361 603 Y HA 0.427 4.977 4.550 0.000 0.000 0.337 603 Y C -0.038 175.885 175.900 0.038 0.000 0.965 603 Y CA -0.437 57.694 58.100 0.053 0.000 1.091 603 Y CB 1.730 40.175 38.460 -0.025 0.000 1.182 603 Y HN 0.624 nan 8.280 nan 0.000 0.450 604 Q N 4.650 124.523 119.800 0.122 0.000 2.267 604 Q HA 0.491 4.831 4.340 -0.000 0.000 0.255 604 Q C -1.331 174.709 176.000 0.066 0.000 0.923 604 Q CA -0.400 55.431 55.803 0.046 0.000 0.925 604 Q CB 0.729 29.525 28.738 0.097 0.000 1.195 604 Q HN 0.716 nan 8.270 nan 0.000 0.417 605 I N 5.638 126.215 120.570 0.011 0.000 2.321 605 I HA 0.295 4.465 4.170 -0.000 0.000 0.291 605 I C -0.384 175.638 176.117 -0.157 0.000 0.998 605 I CA -0.445 60.831 61.300 -0.040 0.000 1.227 605 I CB 1.105 39.083 38.000 -0.036 0.000 1.368 605 I HN 0.578 nan 8.210 nan 0.000 0.466 606 I N 8.529 128.981 120.570 -0.197 0.000 2.537 606 I HA 0.255 4.425 4.170 -0.000 0.000 0.276 606 I C -1.802 174.102 176.117 -0.354 0.000 1.063 606 I CA -1.504 59.597 61.300 -0.330 0.000 1.144 606 I CB 1.395 39.371 38.000 -0.040 0.000 1.252 606 I HN 0.355 nan 8.210 nan 0.000 0.480 607 P HA -0.151 nan 4.420 nan 0.000 0.223 607 P C -0.217 177.135 177.300 0.086 0.000 1.151 607 P CA 1.205 64.183 63.100 -0.203 0.000 0.787 607 P CB 0.019 31.599 31.700 -0.199 0.000 0.788 608 Y N -0.131 120.163 120.300 -0.010 0.000 2.488 608 Y HA 0.615 5.165 4.550 -0.000 0.000 0.330 608 Y C 0.130 176.161 175.900 0.219 0.000 1.013 608 Y CA -1.445 56.775 58.100 0.198 0.000 1.304 608 Y CB 0.651 39.300 38.460 0.314 0.000 1.098 608 Y HN -0.157 nan 8.280 nan 0.000 0.498 609 A N 3.496 126.144 122.820 -0.286 0.000 2.503 609 A HA 0.731 5.051 4.320 -0.000 0.000 0.263 609 A C 0.792 178.146 177.584 -0.384 0.000 1.258 609 A CA 0.339 52.212 52.037 -0.273 0.000 0.936 609 A CB -0.524 18.422 19.000 -0.091 0.000 1.070 609 A HN 1.464 nan 8.150 nan 0.000 0.522 610 G N -2.444 105.881 108.800 -0.792 0.000 2.347 610 G HA2 0.536 4.496 3.960 -0.000 0.000 0.477 610 G HA3 0.536 4.496 3.960 -0.000 0.000 0.477 610 G C -0.316 174.701 174.900 0.196 0.000 1.349 610 G CA -0.190 44.745 45.100 -0.274 0.000 1.000 610 G HN 1.875 nan 8.290 nan 0.000 0.605 611 G N -2.209 106.779 108.800 0.312 0.000 2.411 611 G HA2 0.691 4.651 3.960 -0.000 0.000 0.295 611 G HA3 0.691 4.651 3.960 -0.000 0.000 0.295 611 G C 0.452 175.484 174.900 0.220 0.000 1.542 611 G CA 0.927 46.175 45.100 0.246 0.000 0.814 611 G HN 1.977 nan 8.290 nan 0.000 0.557 612 T N -2.613 112.029 114.554 0.147 0.000 3.060 612 T HA 0.303 4.653 4.350 -0.000 0.000 0.249 612 T C 0.637 175.401 174.700 0.106 0.000 1.079 612 T CA 0.598 62.761 62.100 0.105 0.000 1.013 612 T CB -0.093 68.810 68.868 0.058 0.000 0.975 612 T HN 0.554 nan 8.240 nan 0.000 0.518 613 H N 0.979 120.081 119.070 0.053 0.000 2.710 613 H HA 0.463 5.019 4.556 -0.000 0.000 0.361 613 H C -2.528 172.831 175.328 0.052 0.000 1.175 613 H CA -2.820 53.235 56.048 0.012 0.000 1.206 613 H CB 1.625 31.353 29.762 -0.056 0.000 1.750 613 H HN 0.043 nan 8.280 nan 0.000 0.553 614 P HA -0.078 nan 4.420 nan 0.000 0.266 614 P C -0.953 176.383 177.300 0.061 0.000 1.193 614 P CA 0.044 63.185 63.100 0.067 0.000 0.770 614 P CB 0.526 32.225 31.700 -0.001 0.000 0.836 615 V N 1.558 121.484 119.914 0.019 0.000 2.567 615 V HA 0.488 4.608 4.120 -0.000 0.000 0.289 615 V C 0.583 176.632 176.094 -0.075 0.000 1.049 615 V CA -0.890 61.374 62.300 -0.060 0.000 0.969 615 V CB 0.856 32.500 31.823 -0.299 0.000 0.995 615 V HN 0.638 nan 8.190 nan 0.000 0.471 616 A N 3.677 126.467 122.820 -0.051 0.000 2.309 616 A HA 0.406 4.726 4.320 -0.000 0.000 0.290 616 A C 0.955 178.513 177.584 -0.043 0.000 1.206 616 A CA -0.468 51.550 52.037 -0.032 0.000 0.850 616 A CB 0.136 19.138 19.000 0.003 0.000 1.118 616 A HN 0.941 nan 8.150 nan 0.000 0.523 617 K N 2.049 122.429 120.400 -0.034 0.000 2.400 617 K HA 0.258 4.578 4.320 -0.000 0.000 0.194 617 K C 0.944 177.556 176.600 0.021 0.000 1.033 617 K CA 0.767 57.041 56.287 -0.021 0.000 1.021 617 K CB 0.290 32.777 32.500 -0.022 0.000 0.808 617 K HN 0.873 nan 8.250 nan 0.000 0.505 618 G N 0.526 109.345 108.800 0.032 0.000 2.393 618 G HA2 0.413 4.373 3.960 -0.000 0.000 0.264 618 G HA3 0.413 4.373 3.960 -0.000 0.000 0.264 618 G C -1.754 173.189 174.900 0.071 0.000 1.221 618 G CA -0.459 44.676 45.100 0.060 0.000 0.912 618 G HN 0.070 nan 8.290 nan 0.000 0.483 619 A N 0.008 122.905 122.820 0.129 0.000 2.320 619 A HA 0.589 4.909 4.320 -0.000 0.000 0.287 619 A C 0.338 178.071 177.584 0.247 0.000 1.181 619 A CA -0.225 51.950 52.037 0.231 0.000 0.831 619 A CB 0.511 19.683 19.000 0.287 0.000 1.102 619 A HN 0.365 nan 8.150 nan 0.000 0.513 620 Q N 2.155 122.015 119.800 0.100 0.000 2.945 620 Q HA 0.230 4.570 4.340 -0.000 0.000 0.323 620 Q C -1.429 174.337 176.000 -0.391 0.000 1.188 620 Q CA 0.622 56.341 55.803 -0.140 0.000 0.929 620 Q CB -0.742 27.846 28.738 -0.249 0.000 1.531 620 Q HN 0.609 nan 8.270 nan 0.000 0.444 621 F N -0.526 119.473 119.950 0.081 0.000 2.576 621 F HA 0.549 5.075 4.527 -0.000 0.000 0.313 621 F C 0.285 176.074 175.800 -0.019 0.000 1.078 621 F CA -1.334 56.714 58.000 0.080 0.000 0.921 621 F CB 1.175 40.281 39.000 0.177 0.000 1.232 621 F HN 0.013 nan 8.300 nan 0.000 0.459 622 A N 3.218 126.095 122.820 0.095 0.000 2.407 622 A HA 0.374 4.694 4.320 -0.000 0.000 0.248 622 A C -1.660 175.741 177.584 -0.305 0.000 1.082 622 A CA -1.174 50.811 52.037 -0.086 0.000 0.785 622 A CB -0.175 18.792 19.000 -0.055 0.000 1.020 622 A HN 0.576 nan 8.150 nan 0.000 0.489 623 P HA -0.153 nan 4.420 nan 0.000 0.229 623 P C 0.230 177.239 177.300 -0.485 0.000 1.150 623 P CA 1.501 64.025 63.100 -0.961 0.000 0.765 623 P CB 0.025 31.386 31.700 -0.564 0.000 0.783 624 D N -2.065 118.171 120.400 -0.274 0.000 2.369 624 D HA 0.007 4.647 4.640 -0.000 0.000 0.211 624 D C 0.352 176.543 176.300 -0.182 0.000 1.077 624 D CA 0.015 53.887 54.000 -0.213 0.000 0.842 624 D CB -0.219 40.486 40.800 -0.158 0.000 0.947 624 D HN 0.027 nan 8.370 nan 0.000 0.509 625 E N 0.002 120.168 120.200 -0.058 0.000 2.383 625 E HA 0.009 4.359 4.350 -0.000 0.000 0.264 625 E C 0.255 176.864 176.600 0.016 0.000 1.050 625 E CA -0.318 56.131 56.400 0.082 0.000 0.896 625 E CB 0.809 30.660 29.700 0.252 0.000 0.982 625 E HN 0.265 nan 8.360 nan 0.000 0.424 626 W N 1.884 123.202 121.300 0.030 0.000 2.402 626 W HA -0.046 4.614 4.660 -0.000 0.000 0.286 626 W C 2.108 178.588 176.519 -0.065 0.000 1.221 626 W CA 0.091 57.410 57.345 -0.044 0.000 1.257 626 W CB -0.040 29.263 29.460 -0.262 0.000 1.120 626 W HN 0.561 nan 8.180 nan 0.000 0.551 627 I N -0.395 120.191 120.570 0.027 0.000 2.286 627 I HA -0.360 3.810 4.170 -0.000 0.000 0.248 627 I C 2.329 178.339 176.117 -0.177 0.000 1.115 627 I CA 1.504 62.710 61.300 -0.156 0.000 1.392 627 I CB -0.362 37.399 38.000 -0.397 0.000 1.065 627 I HN 0.050 nan 8.210 nan 0.000 0.418 628 Y N 0.869 121.017 120.300 -0.253 0.000 2.145 628 Y HA -0.365 4.185 4.550 -0.000 0.000 0.286 628 Y C 2.668 178.514 175.900 -0.090 0.000 1.145 628 Y CA 2.470 60.466 58.100 -0.174 0.000 1.148 628 Y CB -0.644 37.779 38.460 -0.061 0.000 0.981 628 Y HN 0.322 nan 8.280 nan 0.000 0.507 629 H N -0.201 118.943 119.070 0.123 0.000 2.357 629 H HA -0.043 4.513 4.556 -0.000 0.000 0.301 629 H C 2.274 177.621 175.328 0.032 0.000 1.082 629 H CA 1.964 58.048 56.048 0.060 0.000 1.342 629 H CB -0.020 29.693 29.762 -0.083 0.000 1.389 629 H HN 0.233 nan 8.280 nan 0.000 0.511 630 R N -0.338 120.232 120.500 0.116 0.000 2.115 630 R HA 0.043 4.383 4.340 -0.000 0.000 0.230 630 R C 0.167 176.405 176.300 -0.102 0.000 1.111 630 R CA 1.009 57.136 56.100 0.044 0.000 0.976 630 R CB 0.191 30.550 30.300 0.099 0.000 0.870 630 R HN 0.271 nan 8.270 nan 0.000 0.445 631 L N 0.916 122.034 121.223 -0.174 0.000 2.502 631 L HA 0.258 4.598 4.340 -0.000 0.000 0.247 631 L C 0.532 177.173 176.870 -0.383 0.000 1.180 631 L CA -0.324 54.390 54.840 -0.210 0.000 0.956 631 L CB 1.771 43.675 42.059 -0.258 0.000 1.282 631 L HN 0.036 nan 8.230 nan 0.000 0.470 632 S N 1.042 116.568 115.700 -0.290 0.000 2.400 632 S HA -0.212 4.258 4.470 -0.000 0.000 0.232 632 S C 1.755 176.295 174.600 -0.100 0.000 1.025 632 S CA 1.446 59.501 58.200 -0.243 0.000 0.993 632 S CB -0.260 62.899 63.200 -0.068 0.000 0.808 632 S HN 0.748 nan 8.310 nan 0.000 0.478 633 F N 1.698 121.481 119.950 -0.279 0.000 2.236 633 F HA -0.097 4.430 4.527 -0.000 0.000 0.302 633 F C 1.838 177.684 175.800 0.077 0.000 1.073 633 F CA 0.989 58.861 58.000 -0.214 0.000 1.336 633 F CB -0.916 37.815 39.000 -0.448 0.000 1.040 633 F HN 0.095 nan 8.300 nan 0.000 0.507 634 M N 0.216 119.344 119.600 -0.787 0.000 2.374 634 M HA -0.115 4.365 4.480 -0.000 0.000 0.264 634 M C 0.944 177.155 176.300 -0.148 0.000 1.067 634 M CA 1.641 56.621 55.300 -0.533 0.000 1.103 634 M CB -0.482 31.754 32.600 -0.607 0.000 1.402 634 M HN 0.143 nan 8.290 nan 0.000 0.444 635 D N 0.408 120.751 120.400 -0.094 0.000 2.349 635 D HA 0.066 4.706 4.640 -0.000 0.000 0.214 635 D C -0.267 176.078 176.300 0.074 0.000 1.063 635 D CA 0.416 54.419 54.000 0.005 0.000 0.847 635 D CB 0.553 41.315 40.800 -0.064 0.000 0.933 635 D HN -0.072 nan 8.370 nan 0.000 0.513 636 K N 0.226 120.722 120.400 0.161 0.000 2.468 636 K HA 0.268 4.588 4.320 -0.000 0.000 0.252 636 K C 0.030 176.749 176.600 0.198 0.000 0.932 636 K CA -0.454 55.854 56.287 0.036 0.000 0.794 636 K CB 1.851 34.100 32.500 -0.419 0.000 1.241 636 K HN -0.181 nan 8.250 nan 0.000 0.428 637 Q N 0.353 120.236 119.800 0.138 0.000 2.354 637 Q HA 0.129 4.469 4.340 -0.000 0.000 0.203 637 Q C -0.021 176.117 176.000 0.230 0.000 0.933 637 Q CA 0.451 56.391 55.803 0.229 0.000 0.901 637 Q CB 0.278 29.161 28.738 0.241 0.000 1.007 637 Q HN 0.354 nan 8.270 nan 0.000 0.495 638 L N -0.456 120.825 121.223 0.097 0.000 2.386 638 L HA 0.609 4.949 4.340 -0.000 0.000 0.271 638 L C -2.047 174.786 176.870 -0.061 0.000 0.993 638 L CA -0.517 54.395 54.840 0.119 0.000 0.819 638 L CB 1.311 43.416 42.059 0.077 0.000 1.294 638 L HN 0.013 nan 8.230 nan 0.000 0.414 639 W N 3.921 125.341 121.300 0.200 0.000 3.256 639 W HA 0.756 5.416 4.660 -0.000 0.000 0.324 639 W C -1.383 175.312 176.519 0.293 0.000 1.196 639 W CA -0.705 56.753 57.345 0.189 0.000 1.206 639 W CB 2.207 31.731 29.460 0.106 0.000 1.385 639 W HN 0.291 nan 8.180 nan 0.000 0.522 640 V N 2.491 122.679 119.914 0.457 0.000 2.668 640 V HA 0.777 4.897 4.120 -0.000 0.000 0.304 640 V C -0.234 176.066 176.094 0.342 0.000 1.071 640 V CA -0.796 61.735 62.300 0.385 0.000 0.894 640 V CB 1.621 33.580 31.823 0.227 0.000 1.008 640 V HN 0.589 nan 8.190 nan 0.000 0.425 641 T N 1.452 116.228 114.554 0.369 0.000 2.865 641 T HA 0.636 4.986 4.350 -0.000 0.000 0.294 641 T C -0.441 174.338 174.700 0.133 0.000 1.119 641 T CA -1.074 61.174 62.100 0.247 0.000 1.007 641 T CB 1.909 70.941 68.868 0.274 0.000 1.225 641 T HN 0.476 nan 8.240 nan 0.000 0.515 642 R N 0.548 121.038 120.500 -0.017 0.000 2.491 642 R HA 0.187 4.527 4.340 -0.000 0.000 0.283 642 R C -0.520 175.575 176.300 -0.342 0.000 1.072 642 R CA -0.546 55.456 56.100 -0.162 0.000 1.048 642 R CB 0.289 30.426 30.300 -0.271 0.000 0.983 642 R HN 0.726 nan 8.270 nan 0.000 0.450 643 Y N 2.893 123.039 120.300 -0.256 0.000 2.717 643 Y HA -0.092 4.458 4.550 -0.000 0.000 0.330 643 Y C -0.589 175.159 175.900 -0.253 0.000 1.217 643 Y CA 0.758 58.748 58.100 -0.183 0.000 1.506 643 Y CB 0.264 38.678 38.460 -0.076 0.000 1.268 643 Y HN 0.512 nan 8.280 nan 0.000 0.561 644 H N 7.276 125.857 119.070 -0.816 0.000 3.149 644 H HA 0.183 4.739 4.556 -0.000 0.000 0.334 644 H C -1.957 172.904 175.328 -0.779 0.000 1.000 644 H CA -1.921 53.715 56.048 -0.687 0.000 1.415 644 H CB 1.572 31.139 29.762 -0.325 0.000 1.819 644 H HN 0.460 nan 8.280 nan 0.000 0.486 645 P HA -0.124 nan 4.420 nan 0.000 0.223 645 P C 1.254 178.432 177.300 -0.202 0.000 1.144 645 P CA 1.163 64.070 63.100 -0.322 0.000 0.783 645 P CB 0.247 31.873 31.700 -0.123 0.000 0.771 646 G N -0.633 108.053 108.800 -0.190 0.000 3.337 646 G HA2 0.034 3.994 3.960 -0.000 0.000 0.246 646 G HA3 0.034 3.994 3.960 -0.000 0.000 0.246 646 G C 0.153 174.940 174.900 -0.189 0.000 1.131 646 G CA -0.142 44.873 45.100 -0.142 0.000 0.773 646 G HN 0.246 nan 8.290 nan 0.000 0.544 647 E N 0.582 120.586 120.200 -0.327 0.000 2.183 647 E HA 0.360 4.710 4.350 -0.000 0.000 0.250 647 E C 0.224 176.571 176.600 -0.423 0.000 0.901 647 E CA -0.403 55.600 56.400 -0.661 0.000 0.741 647 E CB 1.160 30.244 29.700 -1.026 0.000 1.182 647 E HN 0.179 nan 8.360 nan 0.000 0.425 648 R N 1.477 121.705 120.500 -0.453 0.000 2.517 648 R HA 0.203 4.543 4.340 -0.000 0.000 0.265 648 R C -0.384 175.609 176.300 -0.512 0.000 0.921 648 R CA 0.048 55.781 56.100 -0.612 0.000 1.054 648 R CB 0.800 30.407 30.300 -1.154 0.000 1.340 648 R HN 0.221 nan 8.270 nan 0.000 0.551 649 F N 1.751 121.902 119.950 0.335 0.000 2.493 649 F HA 0.379 4.906 4.527 -0.000 0.000 0.329 649 F C -1.612 174.229 175.800 0.068 0.000 1.126 649 F CA -3.077 55.032 58.000 0.182 0.000 0.937 649 F CB 1.470 40.479 39.000 0.014 0.000 1.146 649 F HN -0.271 nan 8.300 nan 0.000 0.442 650 P HA -0.184 nan 4.420 nan 0.000 0.220 650 P C 0.765 177.728 177.300 -0.561 0.000 1.148 650 P CA 1.588 64.355 63.100 -0.556 0.000 0.803 650 P CB 0.274 31.384 31.700 -0.984 0.000 0.782 651 E N 0.426 120.391 120.200 -0.391 0.000 2.479 651 E HA 0.197 4.547 4.350 -0.000 0.000 0.193 651 E C 0.771 177.305 176.600 -0.110 0.000 1.049 651 E CA 0.388 56.706 56.400 -0.137 0.000 0.870 651 E CB -0.448 29.239 29.700 -0.020 0.000 0.944 651 E HN 0.162 nan 8.360 nan 0.000 0.492 652 G N 1.860 110.605 108.800 -0.092 0.000 2.663 652 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.686 652 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.686 652 G C 0.084 174.998 174.900 0.023 0.000 1.246 652 G CA -0.080 44.990 45.100 -0.050 0.000 0.795 652 G HN 0.145 nan 8.290 nan 0.000 0.627 653 K N -0.569 119.862 120.400 0.052 0.000 2.057 653 K HA -0.010 4.310 4.320 -0.000 0.000 0.207 653 K C 0.400 176.657 176.600 -0.571 0.000 1.049 653 K CA 1.530 57.700 56.287 -0.195 0.000 0.931 653 K CB -0.105 32.261 32.500 -0.223 0.000 0.714 653 K HN 0.503 nan 8.250 nan 0.000 0.440 654 Y N 0.477 120.751 120.300 -0.043 0.000 2.747 654 Y HA 0.254 4.804 4.550 -0.000 0.000 0.362 654 Y C -1.976 173.875 175.900 -0.082 0.000 1.026 654 Y CA -2.351 55.708 58.100 -0.067 0.000 1.135 654 Y CB 1.374 39.807 38.460 -0.046 0.000 1.175 654 Y HN 0.155 nan 8.280 nan 0.000 0.643 655 P HA -0.091 nan 4.420 nan 0.000 0.237 655 P C 0.122 177.404 177.300 -0.029 0.000 1.178 655 P CA 0.527 63.608 63.100 -0.032 0.000 0.766 655 P CB 0.444 32.119 31.700 -0.042 0.000 0.876 656 N N 1.903 120.597 118.700 -0.009 0.000 2.438 656 N HA -0.019 4.721 4.740 -0.000 0.000 0.267 656 N C 0.375 175.803 175.510 -0.137 0.000 1.222 656 N CA 0.225 53.241 53.050 -0.057 0.000 0.930 656 N CB -0.428 38.040 38.487 -0.032 0.000 1.083 656 N HN -0.079 nan 8.380 nan 0.000 0.476 657 R N 0.310 120.706 120.500 -0.173 0.000 3.641 657 R HA -0.183 4.157 4.340 -0.000 0.000 0.286 657 R C -0.244 175.919 176.300 -0.229 0.000 1.153 657 R CA 0.836 56.801 56.100 -0.225 0.000 0.775 657 R CB -2.663 27.328 30.300 -0.515 0.000 1.215 657 R HN 0.737 nan 8.270 nan 0.000 0.474 658 S N -0.613 114.981 115.700 -0.176 0.000 2.568 658 S HA 0.106 4.576 4.470 -0.000 0.000 0.282 658 S C 1.555 175.921 174.600 -0.390 0.000 1.338 658 S CA 0.153 58.208 58.200 -0.242 0.000 1.045 658 S CB 1.540 64.623 63.200 -0.194 0.000 0.873 658 S HN 0.347 nan 8.310 nan 0.000 0.516 659 T N -1.950 112.298 114.554 -0.511 0.000 3.044 659 T HA 0.242 4.592 4.350 -0.000 0.000 0.250 659 T C 0.255 175.018 174.700 0.104 0.000 1.081 659 T CA 0.628 62.344 62.100 -0.641 0.000 1.040 659 T CB -0.732 67.789 68.868 -0.579 0.000 0.962 659 T HN 1.063 nan 8.240 nan 0.000 0.506 660 H N -2.253 116.874 119.070 0.095 0.000 2.981 660 H HA 0.584 5.140 4.556 -0.000 0.000 0.327 660 H C -1.673 173.692 175.328 0.061 0.000 1.342 660 H CA -1.105 55.092 56.048 0.248 0.000 1.123 660 H CB 0.261 30.166 29.762 0.238 0.000 1.851 660 H HN -0.118 nan 8.280 nan 0.000 0.531 661 D N 0.924 121.361 120.400 0.061 0.000 2.363 661 D HA 0.032 4.672 4.640 -0.000 0.000 0.263 661 D C 0.712 176.966 176.300 -0.077 0.000 1.258 661 D CA 0.810 54.749 54.000 -0.102 0.000 0.907 661 D CB 0.708 41.386 40.800 -0.203 0.000 1.107 661 D HN 0.713 nan 8.370 nan 0.000 0.495 662 T N 0.303 114.742 114.554 -0.191 0.000 3.092 662 T HA 0.348 4.698 4.350 -0.000 0.000 0.258 662 T C 0.998 175.459 174.700 -0.398 0.000 1.031 662 T CA -0.072 61.924 62.100 -0.174 0.000 0.925 662 T CB 0.714 69.514 68.868 -0.113 0.000 1.036 662 T HN 0.238 nan 8.240 nan 0.000 0.544 663 G N 1.380 109.855 108.800 -0.543 0.000 3.329 663 G HA2 0.460 4.420 3.960 -0.000 0.000 0.180 663 G HA3 0.460 4.420 3.960 -0.000 0.000 0.180 663 G C 0.849 174.843 174.900 -1.511 0.000 1.640 663 G CA -0.598 43.944 45.100 -0.930 0.000 1.018 663 G HN 0.287 nan 8.290 nan 0.000 0.581 664 L N 0.852 121.407 121.223 -1.114 0.000 2.127 664 L HA -0.050 4.290 4.340 -0.000 0.000 0.211 664 L C 3.070 179.535 176.870 -0.674 0.000 1.089 664 L CA 1.192 55.407 54.840 -1.041 0.000 0.757 664 L CB -0.499 40.651 42.059 -1.514 0.000 0.899 664 L HN 0.575 nan 8.230 nan 0.000 0.434 665 G N -1.050 107.445 108.800 -0.510 0.000 2.418 665 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.217 665 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.217 665 G C 1.476 176.280 174.900 -0.159 0.000 1.158 665 G CA 0.763 45.734 45.100 -0.215 0.000 0.771 665 G HN 0.426 nan 8.290 nan 0.000 0.545 666 Q N -0.946 118.694 119.800 -0.267 0.000 2.083 666 Q HA -0.103 4.237 4.340 -0.000 0.000 0.198 666 Q C 2.289 178.269 176.000 -0.033 0.000 0.969 666 Q CA 0.973 56.689 55.803 -0.146 0.000 0.838 666 Q CB -0.201 28.436 28.738 -0.169 0.000 0.900 666 Q HN 0.538 nan 8.270 nan 0.000 0.436 667 Y N 0.531 120.777 120.300 -0.089 0.000 2.333 667 Y HA -0.093 4.457 4.550 -0.000 0.000 0.290 667 Y C 2.475 178.383 175.900 0.014 0.000 1.144 667 Y CA 1.226 59.294 58.100 -0.054 0.000 1.228 667 Y CB -0.453 37.897 38.460 -0.183 0.000 0.985 667 Y HN 0.266 nan 8.280 nan 0.000 0.542 668 S N -1.404 114.391 115.700 0.158 0.000 2.540 668 S HA 0.113 4.583 4.470 -0.000 0.000 0.218 668 S C 1.688 176.372 174.600 0.139 0.000 0.977 668 S CA -0.108 58.202 58.200 0.183 0.000 0.918 668 S CB 0.129 63.498 63.200 0.282 0.000 0.806 668 S HN 0.097 nan 8.310 nan 0.000 0.496 669 K N 2.857 123.320 120.400 0.106 0.000 2.015 669 K HA -0.180 4.140 4.320 -0.000 0.000 0.220 669 K C 0.977 177.625 176.600 0.081 0.000 1.055 669 K CA 2.297 58.632 56.287 0.080 0.000 0.951 669 K CB -0.702 31.835 32.500 0.061 0.000 0.725 669 K HN 0.297 nan 8.250 nan 0.000 0.449 670 D N 0.286 120.740 120.400 0.090 0.000 2.371 670 D HA -0.104 4.536 4.640 -0.000 0.000 0.234 670 D C -0.363 175.987 176.300 0.083 0.000 1.049 670 D CA 0.386 54.435 54.000 0.081 0.000 0.907 670 D CB -0.757 40.095 40.800 0.086 0.000 0.891 670 D HN 0.479 nan 8.370 nan 0.000 0.531 671 N N 1.527 120.281 118.700 0.091 0.000 2.669 671 N HA -0.202 4.538 4.740 -0.000 0.000 0.266 671 N C -0.594 174.965 175.510 0.083 0.000 1.024 671 N CA 0.063 53.164 53.050 0.085 0.000 0.766 671 N CB -0.238 38.289 38.487 0.066 0.000 0.898 671 N HN 0.342 nan 8.380 nan 0.000 0.548 672 E N 0.117 120.375 120.200 0.097 0.000 2.369 672 E HA 0.137 4.486 4.350 -0.000 0.000 0.255 672 E C 0.259 176.907 176.600 0.080 0.000 1.172 672 E CA -0.465 55.989 56.400 0.091 0.000 0.932 672 E CB 0.768 30.533 29.700 0.109 0.000 1.040 672 E HN 0.292 nan 8.360 nan 0.000 0.454 673 S N 0.577 116.320 115.700 0.072 0.000 2.548 673 S HA 0.125 4.595 4.470 -0.000 0.000 0.277 673 S C 0.246 174.885 174.600 0.064 0.000 1.315 673 S CA -0.473 57.765 58.200 0.064 0.000 1.050 673 S CB 0.112 63.346 63.200 0.056 0.000 0.918 673 S HN 0.430 nan 8.310 nan 0.000 0.497 674 L N 3.471 124.733 121.223 0.064 0.000 2.965 674 L HA 0.369 4.708 4.340 -0.000 0.000 0.254 674 L C -0.029 176.873 176.870 0.055 0.000 1.220 674 L CA -0.215 54.664 54.840 0.065 0.000 1.023 674 L CB 0.133 42.236 42.059 0.075 0.000 1.355 674 L HN 0.591 nan 8.230 nan 0.000 0.545 675 D N 1.056 121.486 120.400 0.050 0.000 2.280 675 D HA 0.064 4.704 4.640 -0.000 0.000 0.243 675 D C 0.705 177.028 176.300 0.038 0.000 1.129 675 D CA -0.018 54.008 54.000 0.043 0.000 0.848 675 D CB 0.365 41.189 40.800 0.040 0.000 1.107 675 D HN 0.148 nan 8.370 nan 0.000 0.471 676 N N 2.683 121.403 118.700 0.034 0.000 2.699 676 N HA -0.252 4.488 4.740 -0.000 0.000 0.256 676 N C -1.223 174.305 175.510 0.031 0.000 0.993 676 N CA 0.609 53.677 53.050 0.029 0.000 0.759 676 N CB -0.356 38.145 38.487 0.023 0.000 0.906 676 N HN 0.413 nan 8.380 nan 0.000 0.541 677 T N -0.590 113.986 114.554 0.037 0.000 2.812 677 T HA 0.118 4.468 4.350 -0.000 0.000 0.294 677 T C -1.565 173.160 174.700 0.042 0.000 1.159 677 T CA -0.614 61.510 62.100 0.039 0.000 1.008 677 T CB 1.449 70.345 68.868 0.047 0.000 1.289 677 T HN 0.189 nan 8.240 nan 0.000 0.514 678 D N 1.703 122.130 120.400 0.045 0.000 2.346 678 D HA 0.436 5.076 4.640 -0.000 0.000 0.267 678 D C -0.090 176.255 176.300 0.076 0.000 1.320 678 D CA 0.044 54.071 54.000 0.046 0.000 0.951 678 D CB 0.186 41.010 40.800 0.039 0.000 1.079 678 D HN 0.699 nan 8.370 nan 0.000 0.509 679 A N 3.144 126.008 122.820 0.074 0.000 2.282 679 A HA 0.626 4.946 4.320 -0.000 0.000 0.319 679 A C -0.593 177.056 177.584 0.108 0.000 1.121 679 A CA -0.628 51.468 52.037 0.097 0.000 0.836 679 A CB 1.400 20.456 19.000 0.095 0.000 1.146 679 A HN 0.351 nan 8.150 nan 0.000 0.494 680 V N 1.995 121.994 119.914 0.142 0.000 2.483 680 V HA 0.363 4.483 4.120 -0.000 0.000 0.297 680 V C -0.363 175.796 176.094 0.109 0.000 1.027 680 V CA -0.534 61.811 62.300 0.075 0.000 0.855 680 V CB 1.440 33.298 31.823 0.058 0.000 0.995 680 V HN 0.661 nan 8.190 nan 0.000 0.424 681 V N 3.988 123.906 119.914 0.007 0.000 2.509 681 V HA 0.479 4.599 4.120 -0.000 0.000 0.284 681 V C -0.904 175.213 176.094 0.038 0.000 1.047 681 V CA -0.425 61.952 62.300 0.128 0.000 0.952 681 V CB 1.561 33.438 31.823 0.090 0.000 0.988 681 V HN 0.895 nan 8.190 nan 0.000 0.469 682 W N 4.451 125.878 121.300 0.211 0.000 2.683 682 W HA 0.721 5.381 4.660 -0.000 0.000 0.329 682 W C -0.305 176.387 176.519 0.288 0.000 1.037 682 W CA -0.676 56.800 57.345 0.219 0.000 1.232 682 W CB 1.296 30.856 29.460 0.167 0.000 1.390 682 W HN 0.257 nan 8.180 nan 0.000 0.465 683 M N 3.176 123.043 119.600 0.445 0.000 2.167 683 M HA 0.398 4.878 4.480 -0.000 0.000 0.333 683 M C -0.357 176.198 176.300 0.425 0.000 1.030 683 M CA -0.331 55.198 55.300 0.382 0.000 0.963 683 M CB 1.824 34.589 32.600 0.275 0.000 1.589 683 M HN 0.242 nan 8.290 nan 0.000 0.431 684 T N 1.696 116.503 114.554 0.422 0.000 2.771 684 T HA 0.459 4.808 4.350 -0.000 0.000 0.281 684 T C -0.321 174.583 174.700 0.340 0.000 0.982 684 T CA -0.311 62.032 62.100 0.404 0.000 0.978 684 T CB 1.345 70.491 68.868 0.463 0.000 0.930 684 T HN 0.670 nan 8.240 nan 0.000 0.447 685 T N 2.033 116.802 114.554 0.358 0.000 2.921 685 T HA 0.748 5.098 4.350 -0.000 0.000 0.297 685 T C -0.392 174.512 174.700 0.340 0.000 1.013 685 T CA -0.373 61.941 62.100 0.357 0.000 0.990 685 T CB 1.058 70.175 68.868 0.414 0.000 1.023 685 T HN 0.812 nan 8.240 nan 0.000 0.447 686 G N 1.698 110.641 108.800 0.238 0.000 2.708 686 G HA2 0.720 4.680 3.960 -0.000 0.000 0.289 686 G HA3 0.720 4.680 3.960 -0.000 0.000 0.289 686 G C -0.670 174.318 174.900 0.147 0.000 1.416 686 G CA -0.339 44.863 45.100 0.171 0.000 0.829 686 G HN 0.972 nan 8.290 nan 0.000 0.480 687 T N -2.671 111.968 114.554 0.141 0.000 2.916 687 T HA 0.729 5.079 4.350 -0.000 0.000 0.292 687 T C -0.678 174.042 174.700 0.034 0.000 1.055 687 T CA -0.608 61.567 62.100 0.125 0.000 1.009 687 T CB 2.113 71.118 68.868 0.229 0.000 1.118 687 T HN 0.432 nan 8.240 nan 0.000 0.497 688 T N 1.942 116.479 114.554 -0.029 0.000 2.772 688 T HA 0.339 4.689 4.350 -0.000 0.000 0.288 688 T C -0.898 173.697 174.700 -0.175 0.000 0.994 688 T CA -0.423 61.608 62.100 -0.117 0.000 0.951 688 T CB 0.016 68.821 68.868 -0.104 0.000 0.933 688 T HN 0.771 nan 8.240 nan 0.000 0.447 689 H N 3.301 122.088 119.070 -0.472 0.000 2.556 689 H HA 0.555 5.111 4.556 -0.000 0.000 0.310 689 H C -1.012 174.014 175.328 -0.503 0.000 1.057 689 H CA -0.722 54.956 56.048 -0.616 0.000 1.264 689 H CB 0.594 29.947 29.762 -0.683 0.000 1.404 689 H HN 0.288 nan 8.280 nan 0.000 0.462 690 V N 5.497 125.325 119.914 -0.144 0.000 2.313 690 V HA 0.318 4.438 4.120 -0.000 0.000 0.278 690 V C 0.522 176.583 176.094 -0.055 0.000 1.017 690 V CA -0.589 61.620 62.300 -0.153 0.000 0.823 690 V CB 0.611 32.372 31.823 -0.104 0.000 1.010 690 V HN 0.944 nan 8.190 nan 0.000 0.443 691 A N 6.783 129.498 122.820 -0.175 0.000 2.409 691 A HA 0.712 5.032 4.320 -0.000 0.000 0.246 691 A C 0.459 178.064 177.584 0.036 0.000 1.099 691 A CA 0.004 52.015 52.037 -0.044 0.000 0.789 691 A CB 0.375 19.299 19.000 -0.126 0.000 1.053 691 A HN 0.975 nan 8.150 nan 0.000 0.503 692 R N -1.349 119.209 120.500 0.097 0.000 2.710 692 R HA 0.637 4.977 4.340 -0.000 0.000 0.270 692 R C 0.358 176.717 176.300 0.098 0.000 1.021 692 R CA -0.203 55.944 56.100 0.078 0.000 0.889 692 R CB 1.212 31.568 30.300 0.093 0.000 1.243 692 R HN 0.741 nan 8.270 nan 0.000 0.464 693 A N 0.998 123.861 122.820 0.071 0.000 1.978 693 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 693 A C 1.388 179.056 177.584 0.140 0.000 1.170 693 A CA 1.747 53.842 52.037 0.097 0.000 0.636 693 A CB -0.557 18.474 19.000 0.051 0.000 0.810 693 A HN 0.823 nan 8.150 nan 0.000 0.448 694 E N 0.228 120.496 120.200 0.114 0.000 2.463 694 E HA -0.103 4.247 4.350 -0.000 0.000 0.201 694 E C 1.066 177.739 176.600 0.121 0.000 1.045 694 E CA 1.042 57.503 56.400 0.102 0.000 0.872 694 E CB -0.094 29.655 29.700 0.082 0.000 0.797 694 E HN 0.793 nan 8.360 nan 0.000 0.538 695 E N -0.866 119.442 120.200 0.180 0.000 2.501 695 E HA 0.059 4.409 4.350 -0.000 0.000 0.200 695 E C -0.412 176.351 176.600 0.272 0.000 1.016 695 E CA -0.281 56.237 56.400 0.198 0.000 0.921 695 E CB 0.492 30.352 29.700 0.267 0.000 1.034 695 E HN 0.180 nan 8.360 nan 0.000 0.468 696 W N 2.151 123.466 121.300 0.025 0.000 2.883 696 W HA 0.259 4.919 4.660 -0.000 0.000 0.335 696 W C -2.304 174.226 176.519 0.018 0.000 1.083 696 W CA -2.149 55.206 57.345 0.016 0.000 1.233 696 W CB 1.749 31.218 29.460 0.015 0.000 1.412 696 W HN -0.132 nan 8.180 nan 0.000 0.490 697 P HA 0.081 nan 4.420 nan 0.000 0.237 697 P C 0.017 176.937 177.300 -0.633 0.000 1.178 697 P CA 0.834 63.228 63.100 -1.176 0.000 0.766 697 P CB 1.375 32.553 31.700 -0.871 0.000 0.876 698 I N -0.546 119.851 120.570 -0.288 0.000 2.582 698 I HA 0.355 4.525 4.170 -0.000 0.000 0.292 698 I C -0.733 175.316 176.117 -0.113 0.000 1.066 698 I CA -1.668 59.490 61.300 -0.236 0.000 1.053 698 I CB 2.710 40.573 38.000 -0.227 0.000 1.241 698 I HN -0.292 nan 8.210 nan 0.000 0.421 699 M N 9.323 128.858 119.600 -0.110 0.000 2.120 699 M HA 0.460 4.939 4.480 -0.000 0.000 0.354 699 M C -2.414 173.824 176.300 -0.105 0.000 1.287 699 M CA -1.479 53.791 55.300 -0.049 0.000 1.103 699 M CB 0.963 33.561 32.600 -0.004 0.000 1.623 699 M HN 0.250 nan 8.290 nan 0.000 0.471 700 P HA 0.038 nan 4.420 nan 0.000 0.264 700 P C -0.880 176.323 177.300 -0.161 0.000 1.193 700 P CA 0.096 63.142 63.100 -0.089 0.000 0.763 700 P CB 0.292 31.966 31.700 -0.043 0.000 0.810 701 T N 4.127 118.565 114.554 -0.193 0.000 2.849 701 T HA -0.005 4.345 4.350 -0.000 0.000 0.289 701 T C 0.296 174.776 174.700 -0.366 0.000 1.010 701 T CA 0.358 62.255 62.100 -0.339 0.000 1.161 701 T CB -0.177 68.504 68.868 -0.312 0.000 0.989 701 T HN 0.345 nan 8.240 nan 0.000 0.523 702 E N 2.240 122.115 120.200 -0.543 0.000 2.183 702 E HA 0.351 4.701 4.350 -0.000 0.000 0.271 702 E C -0.795 175.470 176.600 -0.558 0.000 0.919 702 E CA -0.471 55.633 56.400 -0.493 0.000 0.781 702 E CB 1.747 30.984 29.700 -0.772 0.000 1.140 702 E HN 0.614 nan 8.360 nan 0.000 0.402 703 W N 1.151 122.302 121.300 -0.248 0.000 2.799 703 W HA 0.491 5.151 4.660 0.000 0.000 0.349 703 W C -0.360 175.933 176.519 -0.377 0.000 1.100 703 W CA -0.785 56.374 57.345 -0.311 0.000 1.174 703 W CB 1.609 30.883 29.460 -0.310 0.000 1.427 703 W HN 0.223 nan 8.180 nan 0.000 0.547 704 V N -0.585 119.229 119.914 -0.166 0.000 2.735 704 V HA 0.607 4.727 4.120 -0.000 0.000 0.310 704 V C -0.870 175.001 176.094 -0.372 0.000 1.061 704 V CA -0.878 61.323 62.300 -0.166 0.000 0.913 704 V CB 1.711 33.603 31.823 0.114 0.000 1.005 704 V HN 0.619 nan 8.190 nan 0.000 0.428 705 H N 2.594 121.709 119.070 0.075 0.000 2.572 705 H HA 0.824 5.380 4.556 -0.000 0.000 0.359 705 H C -0.233 175.061 175.328 -0.057 0.000 1.134 705 H CA 0.072 56.101 56.048 -0.031 0.000 1.187 705 H CB 2.368 32.079 29.762 -0.084 0.000 1.597 705 H HN 1.049 nan 8.280 nan 0.000 0.524 706 T N 0.095 114.646 114.554 -0.005 0.000 2.896 706 T HA 0.649 4.999 4.350 -0.000 0.000 0.297 706 T C -0.995 173.625 174.700 -0.133 0.000 1.108 706 T CA -0.817 61.239 62.100 -0.074 0.000 1.004 706 T CB 2.060 70.859 68.868 -0.115 0.000 1.159 706 T HN 0.269 nan 8.240 nan 0.000 0.499 707 L N 0.606 121.753 121.223 -0.127 0.000 2.518 707 L HA 0.719 5.059 4.340 -0.000 0.000 0.257 707 L C -1.804 175.012 176.870 -0.090 0.000 0.980 707 L CA -0.808 53.954 54.840 -0.130 0.000 0.837 707 L CB 2.328 44.328 42.059 -0.098 0.000 1.410 707 L HN 0.829 nan 8.230 nan 0.000 0.410 708 L N 3.280 124.467 121.223 -0.060 0.000 2.415 708 L HA 0.548 4.888 4.340 -0.000 0.000 0.268 708 L C -0.860 176.114 176.870 0.172 0.000 0.984 708 L CA -0.617 54.271 54.840 0.080 0.000 0.853 708 L CB 1.515 43.602 42.059 0.046 0.000 1.215 708 L HN 0.471 nan 8.230 nan 0.000 0.419 709 K N 4.178 124.648 120.400 0.118 0.000 2.221 709 K HA 0.521 4.841 4.320 -0.000 0.000 0.258 709 K C -2.599 173.782 176.600 -0.365 0.000 0.944 709 K CA -1.861 54.408 56.287 -0.030 0.000 0.823 709 K CB 2.010 34.517 32.500 0.012 0.000 1.113 709 K HN 0.197 nan 8.250 nan 0.000 0.431 710 P HA -0.061 nan 4.420 nan 0.000 0.271 710 P C -0.994 176.172 177.300 -0.223 0.000 1.220 710 P CA -0.050 62.490 63.100 -0.933 0.000 0.768 710 P CB 0.529 31.953 31.700 -0.460 0.000 0.848 711 W N 5.726 126.857 121.300 -0.281 0.000 2.466 711 W HA 0.156 4.816 4.660 0.000 0.000 0.303 711 W C -0.372 176.123 176.519 -0.040 0.000 0.999 711 W CA -0.313 56.969 57.345 -0.104 0.000 1.437 711 W CB 0.086 29.500 29.460 -0.076 0.000 1.274 711 W HN 0.535 nan 8.180 nan 0.000 0.417 712 N N 3.472 122.107 118.700 -0.109 0.000 2.741 712 N HA -0.324 4.416 4.740 -0.000 0.000 0.250 712 N C 0.302 175.820 175.510 0.012 0.000 1.115 712 N CA 1.531 54.556 53.050 -0.042 0.000 0.724 712 N CB -1.967 36.529 38.487 0.015 0.000 1.090 712 N HN 0.531 nan 8.380 nan 0.000 0.558 713 F N -0.154 119.680 119.950 -0.194 0.000 2.335 713 F HA 0.227 4.754 4.527 -0.000 0.000 0.296 713 F C 0.791 176.276 175.800 -0.524 0.000 1.091 713 F CA 0.689 58.461 58.000 -0.381 0.000 1.399 713 F CB 0.207 38.851 39.000 -0.594 0.000 1.067 713 F HN -0.030 nan 8.300 nan 0.000 0.520 714 F N 0.167 120.121 119.950 0.006 0.000 2.525 714 F HA 0.280 4.807 4.527 -0.000 0.000 0.346 714 F C 1.170 176.914 175.800 -0.093 0.000 1.072 714 F CA -0.782 57.175 58.000 -0.072 0.000 1.033 714 F CB 0.298 39.258 39.000 -0.067 0.000 1.324 714 F HN -0.312 nan 8.300 nan 0.000 0.491 715 D N -0.554 119.927 120.400 0.136 0.000 2.398 715 D HA 0.119 4.759 4.640 -0.000 0.000 0.210 715 D C -0.224 176.077 176.300 0.002 0.000 1.094 715 D CA 0.442 54.459 54.000 0.029 0.000 0.839 715 D CB 0.450 41.255 40.800 0.009 0.000 0.963 715 D HN 0.714 nan 8.370 nan 0.000 0.506 716 E N -1.871 118.336 120.200 0.011 0.000 2.429 716 E HA 0.186 4.536 4.350 -0.000 0.000 0.277 716 E C -1.184 175.367 176.600 -0.082 0.000 1.130 716 E CA -0.844 55.527 56.400 -0.048 0.000 0.875 716 E CB 0.123 29.792 29.700 -0.052 0.000 1.443 716 E HN -0.293 nan 8.360 nan 0.000 0.444 717 T N 2.790 117.278 114.554 -0.109 0.000 2.750 717 T HA 0.030 4.380 4.350 -0.000 0.000 0.277 717 T C -1.752 172.861 174.700 -0.145 0.000 0.996 717 T CA -0.317 61.711 62.100 -0.119 0.000 1.195 717 T CB 0.084 68.869 68.868 -0.138 0.000 0.963 717 T HN 0.324 nan 8.240 nan 0.000 0.516 718 P HA -0.048 nan 4.420 nan 0.000 0.222 718 P C 1.438 178.629 177.300 -0.183 0.000 1.147 718 P CA 0.812 63.653 63.100 -0.431 0.000 0.790 718 P CB -0.081 31.071 31.700 -0.914 0.000 0.780 719 T N -4.169 110.359 114.554 -0.042 0.000 3.107 719 T HA 0.181 4.531 4.350 -0.000 0.000 0.249 719 T C 1.654 176.419 174.700 0.110 0.000 1.096 719 T CA -0.101 62.026 62.100 0.045 0.000 1.012 719 T CB -0.870 68.053 68.868 0.092 0.000 0.977 719 T HN 0.005 nan 8.240 nan 0.000 0.527 720 L N 1.182 122.460 121.223 0.091 0.000 2.079 720 L HA 0.188 4.528 4.340 -0.000 0.000 0.210 720 L C 1.611 178.512 176.870 0.052 0.000 1.081 720 L CA 1.379 56.275 54.840 0.093 0.000 0.752 720 L CB -0.913 41.148 42.059 0.004 0.000 0.896 720 L HN 0.743 nan 8.230 nan 0.000 0.433 721 G N -1.835 106.974 108.800 0.014 0.000 2.479 721 G HA2 0.084 4.044 3.960 -0.000 0.000 0.686 721 G HA3 0.084 4.044 3.960 -0.000 0.000 0.686 721 G C -0.634 174.263 174.900 -0.004 0.000 1.295 721 G CA -0.607 44.493 45.100 -0.000 0.000 0.922 721 G HN 0.386 nan 8.290 nan 0.000 0.582 722 A N -0.298 122.518 122.820 -0.006 0.000 2.386 722 A HA 0.708 5.028 4.320 -0.000 0.000 0.248 722 A C 0.899 178.481 177.584 -0.003 0.000 1.082 722 A CA -0.046 51.989 52.037 -0.004 0.000 0.789 722 A CB 0.239 19.236 19.000 -0.005 0.000 1.025 722 A HN 1.275 nan 8.150 nan 0.000 0.490 723 L N 1.428 122.649 121.223 -0.003 0.000 2.436 723 L HA 0.211 4.551 4.340 -0.000 0.000 0.265 723 L C 0.878 177.746 176.870 -0.004 0.000 1.168 723 L CA -0.207 54.630 54.840 -0.005 0.000 0.815 723 L CB 0.581 42.637 42.059 -0.006 0.000 1.109 723 L HN 0.757 nan 8.230 nan 0.000 0.462 724 K N 0.000 120.397 120.400 -0.004 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 -0.004 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