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 2ez9_1_A DATA FIRST_RESID 9 DATA SEQUENCE TNILAGAAVI KVLEAWGVDH LYGIPGGSIN SIMDALSAER DRIHYIQVRH DATA SEQUENCE EEVGAMAAAA DAKLTGKIGV CFGSAGPGGT HLMNGLYDAR EDHVPVLALI DATA SEQUENCE GQFGTTGMNM DTFQEMNENP IYADVADYNV TAVNAATLPH VIDEAIRRAY DATA SEQUENCE AHQGVAVVQI PVDLPWQQIP AEDWYASANS YQTPLLPEPD VQAVTRLTQT DATA SEQUENCE LLAAERPLIY YGIGARKAGK ELEQLSKTLK IPLMSTYPAK GIVADRYPAY DATA SEQUENCE LGSANRVAQK PANEALAQAD VVLFVGNNYP FAEVSKAFKN TRYFLQIDID DATA SEQUENCE PAKLGKRHKT DIAVLADAQK TLAAILAQVS ERESTPWWQA NLANVKNWRA DATA SEQUENCE YLASLEDKQE GPLQAYQVLR AVNKIAEPDA IYSIDVGDIN LNANRHLKLT DATA SEQUENCE PSNRHITSNL FATMGVGIPG AIAAKLNYPE RQVFNLAGDG GASMTMQDLA DATA SEQUENCE TQVQYHLPVI NVVFTNCQYG WIKDEQEDTN QNDFIGVEFN DIDFSKIADG DATA SEQUENCE VHMQAFRVNK IEQLPDVFEQ AKAIAQHEPV LIDAVITGDR PLPAEKLRLD DATA SEQUENCE SAMSSAADIE AFKQRYEAQD LQPLSTYLKQ FGLDD 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.737 174.700 0.061 0.000 1.109 9 T CA 0.000 62.127 62.100 0.045 0.000 1.349 9 T CB 0.000 68.888 68.868 0.034 0.000 0.612 10 N N 0.240 118.977 118.700 0.062 0.000 2.381 10 N HA 0.799 5.539 4.740 -0.000 0.000 0.294 10 N C -1.543 174.015 175.510 0.080 0.000 1.216 10 N CA -0.738 52.355 53.050 0.072 0.000 0.803 10 N CB 2.811 41.330 38.487 0.054 0.000 1.372 10 N HN 0.362 nan 8.380 nan 0.000 0.500 11 I N 0.779 121.398 120.570 0.082 0.000 2.769 11 I HA 0.360 4.530 4.170 -0.000 0.000 0.298 11 I C -1.287 174.838 176.117 0.013 0.000 1.128 11 I CA -0.826 60.508 61.300 0.056 0.000 1.031 11 I CB 1.520 39.572 38.000 0.088 0.000 1.235 11 I HN 0.361 nan 8.210 nan 0.000 0.423 12 L N 6.335 127.556 121.223 -0.003 0.000 2.453 12 L HA 0.183 4.523 4.340 -0.000 0.000 0.272 12 L C 1.540 178.356 176.870 -0.091 0.000 1.182 12 L CA 0.168 55.001 54.840 -0.012 0.000 0.858 12 L CB 1.210 43.282 42.059 0.021 0.000 1.120 12 L HN 0.861 nan 8.230 nan 0.000 0.474 13 A N 3.473 126.240 122.820 -0.088 0.000 1.978 13 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 13 A C 2.117 179.569 177.584 -0.221 0.000 1.170 13 A CA 1.825 53.769 52.037 -0.154 0.000 0.636 13 A CB -0.847 18.091 19.000 -0.103 0.000 0.810 13 A HN 0.989 nan 8.150 nan 0.000 0.448 14 G N -0.602 108.076 108.800 -0.204 0.000 2.402 14 G HA2 0.030 3.990 3.960 -0.000 0.000 0.216 14 G HA3 0.030 3.990 3.960 -0.000 0.000 0.216 14 G C 1.732 176.484 174.900 -0.246 0.000 1.162 14 G CA 1.311 46.261 45.100 -0.251 0.000 0.777 14 G HN 0.780 nan 8.290 nan 0.000 0.539 15 A N 1.242 123.939 122.820 -0.205 0.000 1.902 15 A HA 0.236 4.556 4.320 -0.000 0.000 0.217 15 A C 2.813 180.200 177.584 -0.328 0.000 1.181 15 A CA 2.307 54.225 52.037 -0.198 0.000 0.623 15 A CB -0.792 18.136 19.000 -0.120 0.000 0.818 15 A HN 0.771 nan 8.150 nan 0.000 0.443 16 A N -0.623 121.898 122.820 -0.500 0.000 1.902 16 A HA 0.021 4.341 4.320 -0.000 0.000 0.217 16 A C 2.223 179.336 177.584 -0.785 0.000 1.181 16 A CA 1.691 53.115 52.037 -1.022 0.000 0.623 16 A CB -0.930 17.269 19.000 -1.335 0.000 0.818 16 A HN 0.381 nan 8.150 nan 0.000 0.443 17 V N 0.752 120.387 119.914 -0.466 0.000 2.287 17 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 17 V C 2.418 178.365 176.094 -0.244 0.000 1.053 17 V CA 1.930 64.045 62.300 -0.309 0.000 1.027 17 V CB -0.658 31.012 31.823 -0.254 0.000 0.646 17 V HN 0.538 nan 8.190 nan 0.000 0.447 18 I N -0.396 120.031 120.570 -0.238 0.000 2.315 18 I HA -0.130 4.040 4.170 -0.000 0.000 0.248 18 I C 2.400 178.447 176.117 -0.117 0.000 1.117 18 I CA 1.380 62.581 61.300 -0.166 0.000 1.404 18 I CB -1.260 36.645 38.000 -0.157 0.000 1.071 18 I HN 0.320 nan 8.210 nan 0.000 0.419 19 K N 0.743 121.045 120.400 -0.164 0.000 2.148 19 K HA -0.036 4.284 4.320 -0.000 0.000 0.204 19 K C 2.274 178.926 176.600 0.087 0.000 1.050 19 K CA 0.707 56.976 56.287 -0.030 0.000 0.942 19 K CB -0.589 31.917 32.500 0.010 0.000 0.724 19 K HN 0.210 nan 8.250 nan 0.000 0.446 20 V N 2.013 121.931 119.914 0.006 0.000 2.295 20 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 20 V C 2.440 178.681 176.094 0.244 0.000 1.049 20 V CA 1.453 63.869 62.300 0.194 0.000 1.024 20 V CB -0.480 31.410 31.823 0.112 0.000 0.648 20 V HN 0.191 nan 8.190 nan 0.000 0.447 21 L N -0.350 120.929 121.223 0.093 0.000 2.042 21 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 21 L C 2.564 179.501 176.870 0.112 0.000 1.076 21 L CA 1.886 56.775 54.840 0.081 0.000 0.749 21 L CB -0.748 41.298 42.059 -0.022 0.000 0.893 21 L HN 0.403 nan 8.230 nan 0.000 0.432 22 E N 0.190 120.432 120.200 0.069 0.000 2.077 22 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 22 E C 2.330 178.974 176.600 0.073 0.000 0.989 22 E CA 1.121 57.552 56.400 0.052 0.000 0.800 22 E CB -0.189 29.529 29.700 0.030 0.000 0.746 22 E HN 0.502 nan 8.360 nan 0.000 0.452 23 A N 0.516 123.396 122.820 0.100 0.000 1.933 23 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 23 A C 1.443 178.985 177.584 -0.070 0.000 1.175 23 A CA 1.017 53.063 52.037 0.014 0.000 0.628 23 A CB -0.872 18.139 19.000 0.018 0.000 0.814 23 A HN 0.373 nan 8.150 nan 0.000 0.444 24 W N -0.808 120.491 121.300 -0.002 0.000 3.180 24 W HA 0.357 5.017 4.660 -0.000 0.000 0.254 24 W C 1.564 178.059 176.519 -0.041 0.000 1.318 24 W CA 0.831 58.161 57.345 -0.026 0.000 1.608 24 W CB -0.040 29.415 29.460 -0.008 0.000 1.124 24 W HN 0.576 nan 8.180 nan 0.000 0.694 25 G N 0.168 109.042 108.800 0.123 0.000 2.147 25 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.244 25 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.244 25 G C -0.001 174.923 174.900 0.040 0.000 1.005 25 G CA -0.043 45.093 45.100 0.059 0.000 0.713 25 G HN 0.020 nan 8.290 nan 0.000 0.515 26 V N 0.749 120.687 119.914 0.039 0.000 2.450 26 V HA 0.232 4.352 4.120 -0.000 0.000 0.281 26 V C 1.476 177.536 176.094 -0.055 0.000 1.019 26 V CA 1.231 63.506 62.300 -0.041 0.000 1.062 26 V CB 1.283 33.077 31.823 -0.050 0.000 0.979 26 V HN 0.520 nan 8.190 nan 0.000 0.477 27 D N 3.127 123.472 120.400 -0.091 0.000 2.201 27 D HA -0.009 4.631 4.640 -0.000 0.000 0.209 27 D C 0.710 177.066 176.300 0.093 0.000 0.961 27 D CA 0.761 54.783 54.000 0.037 0.000 0.861 27 D CB 0.354 41.230 40.800 0.127 0.000 0.997 27 D HN 0.807 nan 8.370 nan 0.000 0.486 28 H N -1.215 117.826 119.070 -0.048 0.000 2.961 28 H HA 0.525 5.081 4.556 -0.000 0.000 0.371 28 H C -0.834 174.330 175.328 -0.272 0.000 1.190 28 H CA -1.174 54.785 56.048 -0.148 0.000 1.138 28 H CB 0.956 30.583 29.762 -0.224 0.000 1.816 28 H HN 0.112 nan 8.280 nan 0.000 0.551 29 L N -0.626 120.458 121.223 -0.232 0.000 2.479 29 L HA 0.710 5.050 4.340 -0.000 0.000 0.255 29 L C -2.002 174.679 176.870 -0.315 0.000 1.026 29 L CA -1.207 53.483 54.840 -0.250 0.000 0.842 29 L CB 2.494 44.575 42.059 0.038 0.000 1.444 29 L HN 0.484 nan 8.230 nan 0.000 0.409 30 Y N 0.012 120.359 120.300 0.079 0.000 2.485 30 Y HA 0.977 5.527 4.550 -0.000 0.000 0.345 30 Y C 0.634 176.305 175.900 -0.382 0.000 0.998 30 Y CA -0.127 57.926 58.100 -0.079 0.000 1.059 30 Y CB 2.422 40.819 38.460 -0.104 0.000 1.234 30 Y HN 1.051 nan 8.280 nan 0.000 0.461 31 G N 1.026 109.645 108.800 -0.301 0.000 2.321 31 G HA2 0.498 4.458 3.960 -0.000 0.000 0.296 31 G HA3 0.498 4.458 3.960 -0.000 0.000 0.296 31 G C -2.249 172.503 174.900 -0.246 0.000 1.287 31 G CA -0.921 43.645 45.100 -0.890 0.000 0.846 31 G HN 0.504 nan 8.290 nan 0.000 0.508 32 I N 2.090 122.557 120.570 -0.172 0.000 2.533 32 I HA 0.403 4.573 4.170 -0.000 0.000 0.290 32 I C -2.116 174.185 176.117 0.307 0.000 1.056 32 I CA -1.994 59.403 61.300 0.163 0.000 1.057 32 I CB 2.975 41.033 38.000 0.096 0.000 1.240 32 I HN 0.322 nan 8.210 nan 0.000 0.423 33 P HA 0.433 nan 4.420 nan 0.000 0.274 33 P C -0.432 176.955 177.300 0.146 0.000 1.256 33 P CA -0.070 63.166 63.100 0.226 0.000 0.795 33 P CB 1.412 33.194 31.700 0.138 0.000 1.038 34 G N -1.626 107.224 108.800 0.083 0.000 2.576 34 G HA2 0.426 4.386 3.960 -0.000 0.000 0.290 34 G HA3 0.426 4.386 3.960 -0.000 0.000 0.290 34 G C 0.697 175.622 174.900 0.042 0.000 1.442 34 G CA -0.099 45.047 45.100 0.076 0.000 0.792 34 G HN 0.475 nan 8.290 nan 0.000 0.491 35 G N 0.160 109.022 108.800 0.102 0.000 2.469 35 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.219 35 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.219 35 G C 2.040 176.944 174.900 0.008 0.000 1.150 35 G CA 2.397 47.575 45.100 0.130 0.000 0.763 35 G HN 1.609 nan 8.290 nan 0.000 0.561 36 S N -0.703 114.885 115.700 -0.187 0.000 2.555 36 S HA 0.201 4.671 4.470 -0.000 0.000 0.230 36 S C 1.590 175.981 174.600 -0.348 0.000 0.978 36 S CA 0.756 58.653 58.200 -0.505 0.000 0.934 36 S CB 0.078 62.681 63.200 -0.996 0.000 0.766 36 S HN 0.355 nan 8.310 nan 0.000 0.533 37 I N 0.208 120.626 120.570 -0.254 0.000 3.994 37 I HA 0.315 4.485 4.170 -0.000 0.000 0.323 37 I C 0.641 176.549 176.117 -0.348 0.000 1.501 37 I CA -0.114 61.000 61.300 -0.311 0.000 1.112 37 I CB 0.366 38.205 38.000 -0.268 0.000 1.254 37 I HN -0.005 nan 8.210 nan 0.000 0.495 38 N N 0.695 119.234 118.700 -0.268 0.000 2.453 38 N HA -0.112 4.628 4.740 -0.000 0.000 0.183 38 N C 1.989 177.240 175.510 -0.432 0.000 1.041 38 N CA 1.526 54.452 53.050 -0.206 0.000 0.900 38 N CB 0.094 38.608 38.487 0.045 0.000 0.961 38 N HN 0.532 nan 8.380 nan 0.000 0.443 39 S N -0.093 115.050 115.700 -0.929 0.000 2.414 39 S HA 0.043 4.513 4.470 -0.000 0.000 0.227 39 S C 1.913 176.046 174.600 -0.778 0.000 1.022 39 S CA 0.240 57.567 58.200 -1.455 0.000 0.958 39 S CB -0.101 61.711 63.200 -2.312 0.000 0.797 39 S HN 0.049 nan 8.310 nan 0.000 0.493 40 I N 1.944 122.145 120.570 -0.615 0.000 2.252 40 I HA -0.067 4.103 4.170 -0.000 0.000 0.245 40 I C 2.451 178.286 176.117 -0.470 0.000 1.102 40 I CA 1.219 62.213 61.300 -0.511 0.000 1.385 40 I CB -1.114 36.559 38.000 -0.546 0.000 1.064 40 I HN 0.309 nan 8.210 nan 0.000 0.414 41 M N 0.044 119.362 119.600 -0.470 0.000 2.108 41 M HA -0.239 4.241 4.480 -0.000 0.000 0.261 41 M C 1.973 178.138 176.300 -0.225 0.000 1.066 41 M CA 1.622 56.698 55.300 -0.373 0.000 1.107 41 M CB -1.488 30.946 32.600 -0.276 0.000 1.356 41 M HN 0.167 nan 8.290 nan 0.000 0.406 42 D N 0.101 120.399 120.400 -0.169 0.000 2.117 42 D HA -0.048 4.592 4.640 -0.000 0.000 0.197 42 D C 1.922 178.182 176.300 -0.065 0.000 0.987 42 D CA 1.642 55.625 54.000 -0.029 0.000 0.829 42 D CB 0.099 40.990 40.800 0.152 0.000 0.961 42 D HN 0.309 nan 8.370 nan 0.000 0.460 43 A N 0.063 122.792 122.820 -0.152 0.000 1.898 43 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 43 A C 2.471 179.975 177.584 -0.134 0.000 1.181 43 A CA 0.788 52.740 52.037 -0.141 0.000 0.620 43 A CB -0.731 18.148 19.000 -0.201 0.000 0.819 43 A HN 0.309 nan 8.150 nan 0.000 0.442 44 L N -0.654 120.462 121.223 -0.178 0.000 2.042 44 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 44 L C 2.932 179.757 176.870 -0.075 0.000 1.076 44 L CA 1.559 56.311 54.840 -0.147 0.000 0.749 44 L CB -0.429 41.497 42.059 -0.222 0.000 0.893 44 L HN 0.500 nan 8.230 nan 0.000 0.432 45 S N -0.331 115.331 115.700 -0.064 0.000 2.370 45 S HA -0.219 4.251 4.470 -0.000 0.000 0.226 45 S C 2.068 176.670 174.600 0.003 0.000 1.033 45 S CA 1.346 59.541 58.200 -0.007 0.000 1.011 45 S CB -0.131 63.071 63.200 0.004 0.000 0.852 45 S HN 0.460 nan 8.310 nan 0.000 0.457 46 A N 0.493 123.306 122.820 -0.011 0.000 2.067 46 A HA 0.047 4.367 4.320 -0.000 0.000 0.219 46 A C 1.743 179.320 177.584 -0.011 0.000 1.158 46 A CA 1.108 53.142 52.037 -0.004 0.000 0.661 46 A CB -0.199 18.798 19.000 -0.006 0.000 0.801 46 A HN 0.509 nan 8.150 nan 0.000 0.452 47 E N -0.528 119.654 120.200 -0.030 0.000 2.499 47 E HA 0.018 4.368 4.350 -0.000 0.000 0.199 47 E C 1.462 178.028 176.600 -0.057 0.000 1.016 47 E CA 0.020 56.393 56.400 -0.045 0.000 0.933 47 E CB 0.071 29.729 29.700 -0.069 0.000 1.050 47 E HN 0.857 nan 8.360 nan 0.000 0.462 48 R N 0.114 120.605 120.500 -0.015 0.000 2.237 48 R HA -0.049 4.291 4.340 -0.000 0.000 0.219 48 R C 0.612 176.923 176.300 0.018 0.000 1.080 48 R CA 1.007 57.114 56.100 0.012 0.000 0.995 48 R CB -0.016 30.334 30.300 0.083 0.000 0.875 48 R HN -0.152 nan 8.270 nan 0.000 0.462 49 D N 0.352 120.763 120.400 0.017 0.000 2.317 49 D HA -0.017 4.623 4.640 -0.000 0.000 0.211 49 D C 1.486 177.794 176.300 0.012 0.000 0.966 49 D CA 0.650 54.687 54.000 0.062 0.000 0.876 49 D CB 0.191 41.022 40.800 0.052 0.000 0.927 49 D HN 0.207 nan 8.370 nan 0.000 0.519 50 R N -0.522 119.903 120.500 -0.125 0.000 2.369 50 R HA 0.356 4.696 4.340 -0.000 0.000 0.210 50 R C 0.499 176.609 176.300 -0.317 0.000 0.881 50 R CA -0.139 55.877 56.100 -0.140 0.000 1.031 50 R CB 1.619 31.883 30.300 -0.060 0.000 1.184 50 R HN 0.169 nan 8.270 nan 0.000 0.581 51 I N 1.104 121.380 120.570 -0.489 0.000 2.686 51 I HA 0.292 4.462 4.170 -0.000 0.000 0.295 51 I C -1.300 174.474 176.117 -0.572 0.000 1.114 51 I CA -0.818 60.203 61.300 -0.465 0.000 1.038 51 I CB 2.120 40.009 38.000 -0.184 0.000 1.238 51 I HN 0.044 nan 8.210 nan 0.000 0.420 52 H N 6.728 125.824 119.070 0.044 0.000 2.638 52 H HA 0.193 4.749 4.556 -0.000 0.000 0.317 52 H C -1.429 173.926 175.328 0.044 0.000 1.006 52 H CA -0.423 55.653 56.048 0.047 0.000 1.222 52 H CB 1.206 30.976 29.762 0.013 0.000 1.419 52 H HN 0.488 nan 8.280 nan 0.000 0.489 53 Y N 4.716 125.047 120.300 0.052 0.000 2.359 53 Y HA 0.210 4.760 4.550 -0.000 0.000 0.334 53 Y C -0.732 175.145 175.900 -0.038 0.000 1.058 53 Y CA -0.883 57.233 58.100 0.028 0.000 1.244 53 Y CB 0.500 39.018 38.460 0.097 0.000 1.187 53 Y HN 0.422 nan 8.280 nan 0.000 0.510 54 I N 7.467 127.604 120.570 -0.723 0.000 2.354 54 I HA 0.172 4.342 4.170 -0.000 0.000 0.286 54 I C -0.245 175.378 176.117 -0.824 0.000 1.007 54 I CA -0.656 60.123 61.300 -0.869 0.000 1.167 54 I CB 1.216 38.806 38.000 -0.683 0.000 1.320 54 I HN 0.634 nan 8.210 nan 0.000 0.458 55 Q N 7.195 126.604 119.800 -0.651 0.000 2.323 55 Q HA 0.340 4.680 4.340 -0.000 0.000 0.257 55 Q C -0.681 175.343 176.000 0.040 0.000 1.022 55 Q CA -0.245 55.398 55.803 -0.267 0.000 0.919 55 Q CB 1.454 30.190 28.738 -0.002 0.000 1.220 55 Q HN 0.599 nan 8.270 nan 0.000 0.427 56 V N 2.937 122.875 119.914 0.041 0.000 3.262 56 V HA 0.475 4.595 4.120 -0.000 0.000 0.313 56 V C 0.718 176.862 176.094 0.084 0.000 1.070 56 V CA -0.673 61.672 62.300 0.075 0.000 1.049 56 V CB 1.335 33.186 31.823 0.045 0.000 1.157 56 V HN 0.712 nan 8.190 nan 0.000 0.454 57 R N -0.476 120.076 120.500 0.086 0.000 2.308 57 R HA 0.317 4.657 4.340 -0.000 0.000 0.202 57 R C 0.199 176.575 176.300 0.127 0.000 0.898 57 R CA 0.375 56.531 56.100 0.093 0.000 1.046 57 R CB -0.510 29.837 30.300 0.078 0.000 1.026 57 R HN 0.941 nan 8.270 nan 0.000 0.512 58 H N -0.033 119.035 119.070 -0.003 0.000 3.026 58 H HA 0.178 4.734 4.556 -0.000 0.000 0.352 58 H C -0.209 175.091 175.328 -0.048 0.000 1.090 58 H CA -0.212 55.812 56.048 -0.041 0.000 1.268 58 H CB 1.664 31.355 29.762 -0.119 0.000 1.816 58 H HN -0.208 nan 8.280 nan 0.000 0.518 59 E N 2.235 122.471 120.200 0.060 0.000 2.265 59 E HA -0.185 4.165 4.350 -0.000 0.000 0.196 59 E C 1.767 178.453 176.600 0.143 0.000 0.996 59 E CA 1.343 57.796 56.400 0.089 0.000 0.832 59 E CB 0.183 29.933 29.700 0.084 0.000 0.756 59 E HN 0.783 nan 8.360 nan 0.000 0.491 60 E N 0.573 120.960 120.200 0.311 0.000 2.153 60 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 60 E C 1.790 178.390 176.600 0.000 0.000 0.988 60 E CA 1.270 57.742 56.400 0.121 0.000 0.811 60 E CB -0.188 29.523 29.700 0.020 0.000 0.746 60 E HN 0.122 nan 8.360 nan 0.000 0.466 61 V N 1.549 121.453 119.914 -0.017 0.000 2.427 61 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 61 V C 2.522 178.500 176.094 -0.193 0.000 1.051 61 V CA 1.865 64.108 62.300 -0.095 0.000 1.048 61 V CB -0.872 30.912 31.823 -0.065 0.000 0.666 61 V HN 0.562 nan 8.190 nan 0.000 0.456 62 G N -0.226 108.487 108.800 -0.147 0.000 2.421 62 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 62 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 62 G C 1.775 176.534 174.900 -0.235 0.000 1.171 62 G CA 1.099 46.067 45.100 -0.221 0.000 0.775 62 G HN 0.599 nan 8.290 nan 0.000 0.543 63 A N 0.527 123.286 122.820 -0.102 0.000 1.898 63 A HA 0.066 4.386 4.320 -0.000 0.000 0.216 63 A C 2.482 180.007 177.584 -0.097 0.000 1.181 63 A CA 1.801 53.801 52.037 -0.062 0.000 0.620 63 A CB -0.354 18.646 19.000 0.001 0.000 0.819 63 A HN 0.381 nan 8.150 nan 0.000 0.442 64 M N -0.510 119.027 119.600 -0.106 0.000 2.159 64 M HA -0.133 4.347 4.480 -0.000 0.000 0.263 64 M C 2.480 178.684 176.300 -0.161 0.000 1.063 64 M CA 1.405 56.647 55.300 -0.096 0.000 1.110 64 M CB -0.371 32.187 32.600 -0.069 0.000 1.374 64 M HN 0.478 nan 8.290 nan 0.000 0.411 65 A N 0.328 122.947 122.820 -0.335 0.000 1.930 65 A HA 0.010 4.330 4.320 -0.000 0.000 0.217 65 A C 2.374 179.785 177.584 -0.289 0.000 1.175 65 A CA 1.696 53.451 52.037 -0.470 0.000 0.627 65 A CB -0.838 17.516 19.000 -1.076 0.000 0.815 65 A HN 0.477 nan 8.150 nan 0.000 0.443 66 A N 0.078 122.759 122.820 -0.232 0.000 1.902 66 A HA 0.128 4.448 4.320 -0.000 0.000 0.217 66 A C 2.518 180.105 177.584 0.006 0.000 1.181 66 A CA 2.165 54.238 52.037 0.060 0.000 0.623 66 A CB -1.071 17.976 19.000 0.077 0.000 0.818 66 A HN 1.046 nan 8.150 nan 0.000 0.443 67 A N -0.095 122.701 122.820 -0.041 0.000 1.883 67 A HA 0.105 4.425 4.320 -0.000 0.000 0.217 67 A C 2.539 180.114 177.584 -0.015 0.000 1.186 67 A CA 2.364 54.378 52.037 -0.038 0.000 0.624 67 A CB -1.130 17.844 19.000 -0.044 0.000 0.822 67 A HN 1.126 nan 8.150 nan 0.000 0.444 68 A N -0.195 122.620 122.820 -0.009 0.000 1.902 68 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 68 A C 1.801 179.428 177.584 0.071 0.000 1.181 68 A CA 1.883 53.934 52.037 0.024 0.000 0.623 68 A CB -0.678 18.332 19.000 0.018 0.000 0.818 68 A HN 0.488 nan 8.150 nan 0.000 0.443 69 D N 0.153 120.614 120.400 0.101 0.000 2.126 69 D HA -0.188 4.452 4.640 -0.000 0.000 0.190 69 D C 2.232 178.581 176.300 0.081 0.000 1.001 69 D CA 1.939 56.020 54.000 0.135 0.000 0.841 69 D CB -0.443 40.448 40.800 0.153 0.000 0.949 69 D HN 0.440 nan 8.370 nan 0.000 0.446 70 A N 0.794 123.637 122.820 0.038 0.000 1.930 70 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 70 A C 2.078 179.689 177.584 0.044 0.000 1.175 70 A CA 1.397 53.449 52.037 0.024 0.000 0.627 70 A CB -0.313 18.671 19.000 -0.026 0.000 0.815 70 A HN 0.168 nan 8.150 nan 0.000 0.443 71 K N -0.412 120.005 120.400 0.029 0.000 2.063 71 K HA -0.067 4.253 4.320 -0.000 0.000 0.208 71 K C 1.788 178.424 176.600 0.060 0.000 1.048 71 K CA 1.457 57.756 56.287 0.020 0.000 0.928 71 K CB -0.337 32.160 32.500 -0.005 0.000 0.713 71 K HN 0.463 nan 8.250 nan 0.000 0.442 72 L N 0.022 121.309 121.223 0.106 0.000 2.068 72 L HA -0.100 4.240 4.340 -0.000 0.000 0.204 72 L C 2.564 179.563 176.870 0.215 0.000 1.076 72 L CA 1.485 56.434 54.840 0.182 0.000 0.753 72 L CB -0.372 41.862 42.059 0.291 0.000 0.910 72 L HN 0.333 nan 8.230 nan 0.000 0.439 73 T N -4.995 109.661 114.554 0.169 0.000 2.990 73 T HA 0.264 4.614 4.350 -0.000 0.000 0.250 73 T C 1.489 176.266 174.700 0.128 0.000 1.041 73 T CA 0.519 62.707 62.100 0.146 0.000 1.010 73 T CB 0.873 69.787 68.868 0.076 0.000 1.003 73 T HN 0.406 nan 8.240 nan 0.000 0.499 74 G N 1.482 110.357 108.800 0.125 0.000 2.179 74 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 74 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 74 G C 0.017 175.046 174.900 0.216 0.000 0.977 74 G CA 0.449 45.643 45.100 0.157 0.000 0.641 74 G HN 0.908 nan 8.290 nan 0.000 0.533 75 K N 0.851 121.344 120.400 0.155 0.000 2.174 75 K HA 0.642 4.962 4.320 -0.000 0.000 0.275 75 K C 0.775 177.383 176.600 0.013 0.000 1.015 75 K CA -0.964 55.426 56.287 0.171 0.000 0.933 75 K CB 0.687 33.237 32.500 0.084 0.000 1.025 75 K HN 0.358 nan 8.250 nan 0.000 0.463 76 I N 3.598 124.065 120.570 -0.172 0.000 2.826 76 I HA 0.058 4.228 4.170 -0.000 0.000 0.295 76 I C 0.357 176.347 176.117 -0.211 0.000 1.213 76 I CA 0.669 61.718 61.300 -0.418 0.000 1.436 76 I CB 0.219 37.746 38.000 -0.789 0.000 1.348 76 I HN 0.821 nan 8.210 nan 0.000 0.570 77 G N 6.353 115.059 108.800 -0.157 0.000 2.420 77 G HA2 0.524 4.484 3.960 -0.000 0.000 0.284 77 G HA3 0.524 4.484 3.960 -0.000 0.000 0.284 77 G C -1.072 173.787 174.900 -0.068 0.000 1.177 77 G CA -0.449 44.611 45.100 -0.067 0.000 0.841 77 G HN 0.528 nan 8.290 nan 0.000 0.527 78 V N 0.921 120.833 119.914 -0.002 0.000 2.531 78 V HA 0.553 4.673 4.120 -0.000 0.000 0.301 78 V C 0.231 176.406 176.094 0.135 0.000 1.034 78 V CA -0.783 61.523 62.300 0.011 0.000 0.865 78 V CB 0.839 32.641 31.823 -0.035 0.000 0.995 78 V HN 1.221 nan 8.190 nan 0.000 0.424 79 C N 3.537 122.907 119.300 0.117 0.000 3.154 79 C HA 1.031 5.491 4.460 -0.000 0.000 0.312 79 C C -0.909 174.177 174.990 0.160 0.000 1.349 79 C CA -1.049 58.048 59.018 0.132 0.000 1.518 79 C CB 1.424 29.207 27.740 0.072 0.000 1.934 79 C HN 1.028 nan 8.230 nan 0.000 0.462 80 F N -0.650 119.329 119.950 0.049 0.000 2.668 80 F HA 0.897 5.424 4.527 -0.000 0.000 0.309 80 F C -0.367 175.443 175.800 0.017 0.000 1.117 80 F CA -0.273 57.719 58.000 -0.013 0.000 0.951 80 F CB 1.361 40.328 39.000 -0.054 0.000 1.323 80 F HN 1.142 nan 8.300 nan 0.000 0.451 81 G N 0.616 109.540 108.800 0.206 0.000 2.667 81 G HA2 0.542 4.502 3.960 -0.000 0.000 0.298 81 G HA3 0.542 4.502 3.960 -0.000 0.000 0.298 81 G C -1.320 173.662 174.900 0.138 0.000 1.377 81 G CA -0.647 44.532 45.100 0.131 0.000 0.964 81 G HN 1.060 nan 8.290 nan 0.000 0.493 82 S N 0.444 116.207 115.700 0.105 0.000 2.596 82 S HA 0.615 5.085 4.470 -0.000 0.000 0.260 82 S C 0.975 175.553 174.600 -0.036 0.000 1.336 82 S CA 0.146 58.353 58.200 0.013 0.000 0.993 82 S CB 1.083 64.297 63.200 0.023 0.000 0.923 82 S HN 1.877 nan 8.310 nan 0.000 0.567 83 A N 1.177 123.916 122.820 -0.134 0.000 2.561 83 A HA 0.511 4.830 4.320 -0.000 0.000 0.234 83 A C 1.520 179.096 177.584 -0.013 0.000 1.055 83 A CA 0.340 52.310 52.037 -0.112 0.000 0.756 83 A CB -1.478 17.345 19.000 -0.295 0.000 0.986 83 A HN 2.457 nan 8.150 nan 0.000 0.505 84 G N 2.249 111.062 108.800 0.022 0.000 2.557 84 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.292 84 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.292 84 G C -0.644 174.243 174.900 -0.022 0.000 1.162 84 G CA 0.405 45.507 45.100 0.003 0.000 0.964 84 G HN 0.853 nan 8.290 nan 0.000 0.541 85 P HA -0.005 nan 4.420 nan 0.000 0.220 85 P C 1.939 179.119 177.300 -0.200 0.000 1.148 85 P CA 2.480 65.473 63.100 -0.179 0.000 0.803 85 P CB -0.672 30.900 31.700 -0.213 0.000 0.782 86 G N 0.590 109.346 108.800 -0.075 0.000 2.421 86 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 86 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 86 G C 1.870 176.808 174.900 0.063 0.000 1.171 86 G CA 0.954 46.051 45.100 -0.004 0.000 0.775 86 G HN 0.370 nan 8.290 nan 0.000 0.543 87 G N 0.475 109.330 108.800 0.091 0.000 2.402 87 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.216 87 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.216 87 G C 1.999 177.062 174.900 0.272 0.000 1.162 87 G CA 2.100 47.318 45.100 0.197 0.000 0.777 87 G HN 0.567 nan 8.290 nan 0.000 0.539 88 T N -2.216 112.434 114.554 0.160 0.000 2.915 88 T HA -0.072 4.278 4.350 -0.000 0.000 0.269 88 T C 1.904 176.720 174.700 0.194 0.000 1.071 88 T CA 1.360 63.527 62.100 0.112 0.000 1.132 88 T CB -0.626 68.247 68.868 0.008 0.000 0.878 88 T HN 0.533 nan 8.240 nan 0.000 0.479 89 H N 0.618 119.742 119.070 0.091 0.000 2.489 89 H HA 0.152 4.708 4.556 -0.000 0.000 0.293 89 H C 1.840 177.264 175.328 0.158 0.000 1.066 89 H CA 0.663 56.782 56.048 0.118 0.000 1.305 89 H CB -0.161 29.595 29.762 -0.010 0.000 1.386 89 H HN 0.318 nan 8.280 nan 0.000 0.551 90 L N -0.040 121.338 121.223 0.258 0.000 2.376 90 L HA -0.161 4.179 4.340 -0.000 0.000 0.219 90 L C 2.164 179.144 176.870 0.184 0.000 1.133 90 L CA 0.038 54.987 54.840 0.183 0.000 0.816 90 L CB -0.176 41.974 42.059 0.152 0.000 0.933 90 L HN 0.379 nan 8.230 nan 0.000 0.449 91 M N -0.037 119.700 119.600 0.229 0.000 2.082 91 M HA -0.233 4.247 4.480 -0.000 0.000 0.258 91 M C 1.865 178.330 176.300 0.274 0.000 1.069 91 M CA 1.810 57.269 55.300 0.265 0.000 1.102 91 M CB -1.276 31.480 32.600 0.260 0.000 1.336 91 M HN 0.294 nan 8.290 nan 0.000 0.404 92 N N 0.201 119.044 118.700 0.238 0.000 2.223 92 N HA -0.075 4.665 4.740 -0.000 0.000 0.185 92 N C 1.766 177.393 175.510 0.195 0.000 1.016 92 N CA 1.521 54.750 53.050 0.298 0.000 0.863 92 N CB -0.589 38.054 38.487 0.260 0.000 0.983 92 N HN 0.487 nan 8.380 nan 0.000 0.429 93 G N 0.294 109.158 108.800 0.106 0.000 2.403 93 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.216 93 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.216 93 G C 1.427 176.313 174.900 -0.022 0.000 1.154 93 G CA 0.223 45.343 45.100 0.034 0.000 0.784 93 G HN 0.192 nan 8.290 nan 0.000 0.538 94 L N -0.972 120.237 121.223 -0.022 0.000 2.046 94 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 94 L C 2.644 179.342 176.870 -0.286 0.000 1.077 94 L CA 0.991 55.757 54.840 -0.123 0.000 0.747 94 L CB -0.571 41.434 42.059 -0.092 0.000 0.896 94 L HN 0.152 nan 8.230 nan 0.000 0.432 95 Y N 0.287 120.370 120.300 -0.361 0.000 2.224 95 Y HA -0.285 4.265 4.550 -0.000 0.000 0.289 95 Y C 2.433 177.903 175.900 -0.716 0.000 1.146 95 Y CA 1.738 59.390 58.100 -0.748 0.000 1.182 95 Y CB -0.325 37.229 38.460 -1.510 0.000 0.983 95 Y HN 0.253 nan 8.280 nan 0.000 0.524 96 D N -0.320 119.890 120.400 -0.317 0.000 2.104 96 D HA -0.207 4.433 4.640 -0.000 0.000 0.194 96 D C 2.228 178.482 176.300 -0.077 0.000 0.994 96 D CA 1.476 55.447 54.000 -0.048 0.000 0.830 96 D CB -0.248 40.598 40.800 0.077 0.000 0.959 96 D HN 0.246 nan 8.370 nan 0.000 0.452 97 A N 0.291 123.046 122.820 -0.108 0.000 1.902 97 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 97 A C 2.285 179.809 177.584 -0.101 0.000 1.181 97 A CA 1.665 53.641 52.037 -0.100 0.000 0.623 97 A CB -0.653 18.286 19.000 -0.102 0.000 0.818 97 A HN 0.244 nan 8.150 nan 0.000 0.443 98 R N -0.508 119.902 120.500 -0.150 0.000 2.070 98 R HA -0.145 4.195 4.340 -0.000 0.000 0.233 98 R C 1.896 178.180 176.300 -0.026 0.000 1.137 98 R CA 1.686 57.718 56.100 -0.113 0.000 0.945 98 R CB -0.206 29.965 30.300 -0.216 0.000 0.845 98 R HN 0.443 nan 8.270 nan 0.000 0.430 99 E N 0.460 120.643 120.200 -0.029 0.000 2.152 99 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 99 E C 1.034 177.665 176.600 0.052 0.000 0.983 99 E CA 0.982 57.420 56.400 0.063 0.000 0.818 99 E CB -0.081 29.699 29.700 0.134 0.000 0.758 99 E HN 0.373 nan 8.360 nan 0.000 0.467 100 D N -0.029 120.336 120.400 -0.058 0.000 2.328 100 D HA -0.017 4.623 4.640 -0.000 0.000 0.226 100 D C -0.395 175.537 176.300 -0.613 0.000 1.066 100 D CA 0.182 54.015 54.000 -0.278 0.000 0.861 100 D CB -0.545 40.143 40.800 -0.187 0.000 0.912 100 D HN 0.354 nan 8.370 nan 0.000 0.521 101 H N -2.225 116.850 119.070 0.009 0.000 2.604 101 H HA -0.154 4.402 4.556 0.000 0.000 0.321 101 H C -0.599 174.737 175.328 0.014 0.000 1.132 101 H CA 0.317 56.372 56.048 0.012 0.000 1.129 101 H CB -2.644 27.135 29.762 0.028 0.000 1.526 101 H HN 0.011 nan 8.280 nan 0.000 0.415 102 V N -2.640 117.262 119.914 -0.019 0.000 2.715 102 V HA 0.748 4.868 4.120 -0.000 0.000 0.310 102 V C -2.301 173.767 176.094 -0.043 0.000 1.054 102 V CA -2.531 59.760 62.300 -0.015 0.000 0.928 102 V CB 2.481 34.274 31.823 -0.050 0.000 1.007 102 V HN 0.270 nan 8.190 nan 0.000 0.437 103 P HA 0.339 nan 4.420 nan 0.000 0.276 103 P C -0.811 176.354 177.300 -0.224 0.000 1.243 103 P CA 0.063 63.044 63.100 -0.199 0.000 0.768 103 P CB 1.419 32.881 31.700 -0.396 0.000 0.856 104 V N 5.055 124.851 119.914 -0.196 0.000 2.686 104 V HA 0.282 4.402 4.120 -0.000 0.000 0.306 104 V C -0.179 175.810 176.094 -0.174 0.000 1.065 104 V CA -0.849 61.350 62.300 -0.167 0.000 0.894 104 V CB 2.295 34.053 31.823 -0.109 0.000 1.004 104 V HN 0.390 nan 8.190 nan 0.000 0.424 105 L N 4.568 125.687 121.223 -0.174 0.000 2.282 105 L HA 0.913 5.253 4.340 -0.000 0.000 0.288 105 L C 0.120 176.931 176.870 -0.098 0.000 1.033 105 L CA 0.026 54.773 54.840 -0.155 0.000 0.807 105 L CB 1.191 43.136 42.059 -0.191 0.000 1.209 105 L HN 0.796 nan 8.230 nan 0.000 0.423 106 A N 6.595 129.353 122.820 -0.103 0.000 2.304 106 A HA 0.715 5.035 4.320 -0.000 0.000 0.314 106 A C -1.121 176.391 177.584 -0.121 0.000 1.187 106 A CA -0.579 51.404 52.037 -0.090 0.000 0.810 106 A CB 0.588 19.515 19.000 -0.122 0.000 1.183 106 A HN 0.719 nan 8.150 nan 0.000 0.487 107 L N 3.729 124.920 121.223 -0.053 0.000 2.295 107 L HA 0.509 4.849 4.340 -0.000 0.000 0.285 107 L C -0.683 176.137 176.870 -0.085 0.000 1.035 107 L CA -0.656 54.129 54.840 -0.092 0.000 0.806 107 L CB 1.244 43.249 42.059 -0.090 0.000 1.214 107 L HN 0.476 nan 8.230 nan 0.000 0.426 108 I N 2.296 122.762 120.570 -0.174 0.000 2.406 108 I HA 0.341 4.511 4.170 -0.000 0.000 0.290 108 I C 0.819 176.844 176.117 -0.153 0.000 0.999 108 I CA -0.302 60.898 61.300 -0.166 0.000 1.124 108 I CB 1.351 39.178 38.000 -0.289 0.000 1.289 108 I HN 0.596 nan 8.210 nan 0.000 0.441 109 G N 4.498 113.216 108.800 -0.137 0.000 2.554 109 G HA2 0.303 4.263 3.960 -0.000 0.000 0.238 109 G HA3 0.303 4.263 3.960 -0.000 0.000 0.238 109 G C -0.426 174.328 174.900 -0.244 0.000 1.259 109 G CA 0.139 45.107 45.100 -0.219 0.000 0.843 109 G HN 0.605 nan 8.290 nan 0.000 0.582 110 Q N -0.111 119.507 119.800 -0.303 0.000 2.418 110 Q HA 0.558 4.897 4.340 -0.000 0.000 0.282 110 Q C -1.051 174.743 176.000 -0.343 0.000 1.044 110 Q CA -0.805 54.840 55.803 -0.264 0.000 0.813 110 Q CB 1.164 29.841 28.738 -0.103 0.000 1.428 110 Q HN 0.402 nan 8.270 nan 0.000 0.402 111 F N 0.577 120.530 119.950 0.006 0.000 2.440 111 F HA 0.527 5.054 4.527 -0.000 0.000 0.323 111 F C 1.595 177.408 175.800 0.022 0.000 1.192 111 F CA 0.835 58.850 58.000 0.026 0.000 1.252 111 F CB 0.529 39.557 39.000 0.047 0.000 1.214 111 F HN 0.632 nan 8.300 nan 0.000 0.578 112 G N -0.142 108.799 108.800 0.234 0.000 2.630 112 G HA2 0.217 4.177 3.960 -0.000 0.000 0.236 112 G HA3 0.217 4.177 3.960 -0.000 0.000 0.236 112 G C 0.934 175.899 174.900 0.109 0.000 1.248 112 G CA 0.008 45.191 45.100 0.138 0.000 0.844 112 G HN 0.835 nan 8.290 nan 0.000 0.588 113 T N -1.972 112.625 114.554 0.072 0.000 2.897 113 T HA -0.227 4.123 4.350 -0.000 0.000 0.271 113 T C 2.291 177.025 174.700 0.057 0.000 1.084 113 T CA 2.088 64.221 62.100 0.055 0.000 1.123 113 T CB -0.651 68.241 68.868 0.039 0.000 0.865 113 T HN 0.719 nan 8.240 nan 0.000 0.496 114 T N -1.580 113.012 114.554 0.064 0.000 3.035 114 T HA 0.239 4.589 4.350 -0.000 0.000 0.268 114 T C 2.027 176.759 174.700 0.054 0.000 1.109 114 T CA 0.786 62.918 62.100 0.053 0.000 1.119 114 T CB -0.489 68.409 68.868 0.051 0.000 0.900 114 T HN 0.505 nan 8.240 nan 0.000 0.503 115 G N 0.198 109.042 108.800 0.073 0.000 2.944 115 G HA2 0.384 4.344 3.960 -0.000 0.000 0.220 115 G HA3 0.384 4.344 3.960 -0.000 0.000 0.220 115 G C 0.408 175.349 174.900 0.069 0.000 1.100 115 G CA -0.609 44.530 45.100 0.065 0.000 0.780 115 G HN 0.413 nan 8.290 nan 0.000 0.539 116 M N 1.458 121.108 119.600 0.084 0.000 2.250 116 M HA 0.099 4.579 4.480 -0.000 0.000 0.337 116 M C 0.551 176.879 176.300 0.048 0.000 1.161 116 M CA 0.299 55.645 55.300 0.076 0.000 1.088 116 M CB 0.279 32.920 32.600 0.068 0.000 1.639 116 M HN 0.152 nan 8.290 nan 0.000 0.447 117 N N 0.729 119.454 118.700 0.041 0.000 2.828 117 N HA -0.174 4.566 4.740 -0.000 0.000 0.248 117 N C 0.025 175.546 175.510 0.020 0.000 1.044 117 N CA 0.938 54.004 53.050 0.027 0.000 0.851 117 N CB -0.737 37.764 38.487 0.023 0.000 1.136 117 N HN 0.637 nan 8.380 nan 0.000 0.572 118 M N 0.102 119.713 119.600 0.019 0.000 2.428 118 M HA 0.065 4.545 4.480 -0.000 0.000 0.239 118 M C -0.170 176.132 176.300 0.002 0.000 1.121 118 M CA 0.414 55.720 55.300 0.010 0.000 1.019 118 M CB -0.458 32.147 32.600 0.009 0.000 1.485 118 M HN -0.017 nan 8.290 nan 0.000 0.484 119 D N 1.673 122.074 120.400 0.001 0.000 2.705 119 D HA -0.135 4.505 4.640 -0.000 0.000 0.240 119 D C 0.412 176.702 176.300 -0.017 0.000 1.137 119 D CA 0.878 54.874 54.000 -0.007 0.000 0.677 119 D CB -1.070 39.729 40.800 -0.002 0.000 1.049 119 D HN 0.303 nan 8.370 nan 0.000 0.427 120 T N -1.091 113.440 114.554 -0.037 0.000 2.880 120 T HA 0.442 4.792 4.350 -0.000 0.000 0.279 120 T C 0.039 174.686 174.700 -0.087 0.000 0.990 120 T CA -0.687 61.378 62.100 -0.058 0.000 0.938 120 T CB 0.602 69.418 68.868 -0.088 0.000 1.206 120 T HN 0.085 nan 8.240 nan 0.000 0.573 121 F N 2.064 121.854 119.950 -0.267 0.000 2.602 121 F HA 0.171 4.698 4.527 0.000 0.000 0.385 121 F C 1.409 177.014 175.800 -0.326 0.000 1.063 121 F CA 0.713 58.560 58.000 -0.254 0.000 1.233 121 F CB -0.160 38.692 39.000 -0.247 0.000 1.067 121 F HN 0.861 nan 8.300 nan 0.000 0.564 122 Q N 2.000 121.350 119.800 -0.751 0.000 2.461 122 Q HA -0.299 4.041 4.340 -0.000 0.000 0.264 122 Q C -0.632 175.363 176.000 -0.009 0.000 1.085 122 Q CA 1.159 56.689 55.803 -0.455 0.000 1.006 122 Q CB -0.800 27.637 28.738 -0.502 0.000 1.437 122 Q HN 0.757 nan 8.270 nan 0.000 0.514 123 E N 0.997 121.156 120.200 -0.068 0.000 2.158 123 E HA 0.514 4.864 4.350 -0.000 0.000 0.271 123 E C -0.338 176.288 176.600 0.044 0.000 0.911 123 E CA -0.311 56.142 56.400 0.088 0.000 0.767 123 E CB 0.843 30.555 29.700 0.020 0.000 1.120 123 E HN 0.415 nan 8.360 nan 0.000 0.405 124 M N 2.415 122.059 119.600 0.072 0.000 2.721 124 M HA 0.431 4.911 4.480 -0.000 0.000 0.271 124 M C -1.031 175.298 176.300 0.048 0.000 1.259 124 M CA -1.095 54.228 55.300 0.038 0.000 0.835 124 M CB 1.329 33.939 32.600 0.017 0.000 1.689 124 M HN 0.146 nan 8.290 nan 0.000 0.470 125 N N 1.608 120.327 118.700 0.031 0.000 2.406 125 N HA 0.132 4.872 4.740 -0.000 0.000 0.265 125 N C -0.083 175.450 175.510 0.038 0.000 1.203 125 N CA 0.438 53.507 53.050 0.031 0.000 0.945 125 N CB 0.423 38.922 38.487 0.019 0.000 1.165 125 N HN 0.743 nan 8.380 nan 0.000 0.485 126 E N 2.047 122.284 120.200 0.061 0.000 2.385 126 E HA -0.080 4.270 4.350 -0.000 0.000 0.194 126 E C 1.088 177.780 176.600 0.153 0.000 1.013 126 E CA -0.016 56.452 56.400 0.112 0.000 0.866 126 E CB 0.107 29.897 29.700 0.149 0.000 0.832 126 E HN 0.644 nan 8.360 nan 0.000 0.500 127 N N 1.463 120.217 118.700 0.090 0.000 2.069 127 N HA -0.105 4.635 4.740 -0.000 0.000 0.191 127 N C -0.941 174.612 175.510 0.071 0.000 1.031 127 N CA 1.128 54.229 53.050 0.084 0.000 0.852 127 N CB -0.368 38.132 38.487 0.022 0.000 1.018 127 N HN 0.067 nan 8.380 nan 0.000 0.423 128 P HA -0.022 nan 4.420 nan 0.000 0.222 128 P C 1.382 178.647 177.300 -0.057 0.000 1.147 128 P CA 0.732 63.828 63.100 -0.007 0.000 0.790 128 P CB -0.079 31.613 31.700 -0.013 0.000 0.780 129 I N -2.321 118.173 120.570 -0.127 0.000 2.286 129 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 129 I C 1.426 177.221 176.117 -0.537 0.000 1.115 129 I CA 1.662 62.728 61.300 -0.390 0.000 1.392 129 I CB -0.582 37.042 38.000 -0.626 0.000 1.065 129 I HN -0.018 nan 8.210 nan 0.000 0.418 130 Y N -0.206 120.089 120.300 -0.010 0.000 2.467 130 Y HA 0.390 4.940 4.550 -0.000 0.000 0.250 130 Y C 2.212 178.083 175.900 -0.048 0.000 1.155 130 Y CA 0.181 58.260 58.100 -0.034 0.000 1.249 130 Y CB -0.313 38.113 38.460 -0.056 0.000 1.146 130 Y HN -0.011 nan 8.280 nan 0.000 0.524 131 A N 0.274 123.121 122.820 0.045 0.000 1.933 131 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 131 A C 1.814 179.407 177.584 0.014 0.000 1.175 131 A CA 2.305 54.357 52.037 0.024 0.000 0.628 131 A CB -0.563 18.444 19.000 0.012 0.000 0.814 131 A HN 0.448 nan 8.150 nan 0.000 0.444 132 D N -1.210 119.203 120.400 0.021 0.000 2.149 132 D HA -0.086 4.554 4.640 -0.000 0.000 0.201 132 D C 1.687 177.961 176.300 -0.042 0.000 0.972 132 D CA 1.273 55.295 54.000 0.036 0.000 0.835 132 D CB -0.011 40.860 40.800 0.119 0.000 0.966 132 D HN 0.101 nan 8.370 nan 0.000 0.476 133 V N -0.295 119.525 119.914 -0.156 0.000 2.788 133 V HA 0.292 4.412 4.120 -0.000 0.000 0.251 133 V C 0.721 176.666 176.094 -0.248 0.000 1.068 133 V CA 0.930 62.952 62.300 -0.463 0.000 1.090 133 V CB -0.250 31.092 31.823 -0.801 0.000 0.710 133 V HN 0.309 nan 8.190 nan 0.000 0.467 134 A N -0.154 122.604 122.820 -0.103 0.000 2.301 134 A HA 0.368 4.688 4.320 -0.000 0.000 0.312 134 A C 0.777 178.359 177.584 -0.003 0.000 1.182 134 A CA 0.228 52.236 52.037 -0.048 0.000 0.826 134 A CB 0.923 19.916 19.000 -0.012 0.000 1.134 134 A HN 0.461 nan 8.150 nan 0.000 0.501 135 D N 0.133 120.553 120.400 0.032 0.000 2.183 135 D HA -0.072 4.568 4.640 -0.000 0.000 0.203 135 D C -0.225 176.187 176.300 0.186 0.000 0.969 135 D CA 1.474 55.532 54.000 0.098 0.000 0.842 135 D CB 0.031 40.913 40.800 0.137 0.000 0.957 135 D HN 0.474 nan 8.370 nan 0.000 0.484 136 Y N -0.037 120.261 120.300 -0.004 0.000 2.421 136 Y HA 0.496 5.046 4.550 -0.000 0.000 0.339 136 Y C -1.664 174.217 175.900 -0.032 0.000 0.996 136 Y CA -1.523 56.571 58.100 -0.010 0.000 1.046 136 Y CB 1.432 39.875 38.460 -0.029 0.000 1.226 136 Y HN -0.183 nan 8.280 nan 0.000 0.445 137 N N 4.860 123.310 118.700 -0.417 0.000 2.664 137 N HA 0.508 5.248 4.740 -0.000 0.000 0.268 137 N C -2.304 172.987 175.510 -0.365 0.000 1.222 137 N CA -0.342 52.532 53.050 -0.293 0.000 0.805 137 N CB 1.113 39.541 38.487 -0.098 0.000 1.399 137 N HN 0.527 nan 8.380 nan 0.000 0.547 138 V N -0.091 119.578 119.914 -0.408 0.000 2.925 138 V HA 0.733 4.853 4.120 -0.000 0.000 0.311 138 V C -0.230 175.753 176.094 -0.184 0.000 1.104 138 V CA -0.667 61.445 62.300 -0.313 0.000 0.954 138 V CB 1.657 33.231 31.823 -0.414 0.000 1.022 138 V HN 0.378 nan 8.190 nan 0.000 0.427 139 T N 3.668 118.153 114.554 -0.115 0.000 2.744 139 T HA 0.716 5.066 4.350 -0.000 0.000 0.291 139 T C 0.401 175.064 174.700 -0.062 0.000 0.957 139 T CA 0.368 62.420 62.100 -0.080 0.000 1.002 139 T CB 1.080 69.921 68.868 -0.045 0.000 0.919 139 T HN 1.409 nan 8.240 nan 0.000 0.468 140 A N 2.542 125.324 122.820 -0.063 0.000 2.462 140 A HA 0.452 4.772 4.320 -0.000 0.000 0.243 140 A C 1.196 178.764 177.584 -0.027 0.000 1.076 140 A CA -0.425 51.587 52.037 -0.040 0.000 0.773 140 A CB 0.079 19.047 19.000 -0.053 0.000 1.010 140 A HN 1.064 nan 8.150 nan 0.000 0.493 141 V N -0.446 119.462 119.914 -0.009 0.000 3.337 141 V HA 0.389 4.509 4.120 -0.000 0.000 0.307 141 V C 0.009 176.107 176.094 0.006 0.000 1.505 141 V CA 0.093 62.392 62.300 -0.001 0.000 1.072 141 V CB -0.818 31.008 31.823 0.005 0.000 0.929 141 V HN 0.829 nan 8.190 nan 0.000 0.455 142 N N -0.000 118.703 118.700 0.005 0.000 2.308 142 N HA 0.594 5.334 4.740 -0.000 0.000 0.283 142 N C 0.618 176.131 175.510 0.005 0.000 1.105 142 N CA 0.442 53.499 53.050 0.012 0.000 0.840 142 N CB 2.602 41.102 38.487 0.022 0.000 1.633 142 N HN 0.094 nan 8.380 nan 0.000 0.476 143 A N 2.682 125.506 122.820 0.006 0.000 1.898 143 A HA 0.134 4.454 4.320 -0.000 0.000 0.214 143 A C 1.971 179.557 177.584 0.004 0.000 1.183 143 A CA 1.706 53.740 52.037 -0.006 0.000 0.622 143 A CB -0.706 18.294 19.000 -0.000 0.000 0.824 143 A HN 0.745 nan 8.150 nan 0.000 0.444 144 A N -0.117 122.719 122.820 0.027 0.000 1.972 144 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 144 A C 2.252 179.877 177.584 0.068 0.000 1.169 144 A CA 2.285 54.353 52.037 0.051 0.000 0.635 144 A CB -1.098 17.936 19.000 0.058 0.000 0.810 144 A HN 0.753 nan 8.150 nan 0.000 0.446 145 T N -3.038 111.551 114.554 0.058 0.000 3.107 145 T HA 0.139 4.489 4.350 -0.000 0.000 0.249 145 T C 1.518 176.272 174.700 0.090 0.000 1.096 145 T CA 0.682 62.834 62.100 0.087 0.000 1.012 145 T CB -0.156 68.758 68.868 0.078 0.000 0.977 145 T HN 0.127 nan 8.240 nan 0.000 0.527 146 L N 2.490 123.731 121.223 0.030 0.000 2.012 146 L HA 0.141 4.481 4.340 -0.000 0.000 0.210 146 L C -0.895 175.956 176.870 -0.030 0.000 1.073 146 L CA 1.785 56.615 54.840 -0.015 0.000 0.748 146 L CB -1.197 40.822 42.059 -0.066 0.000 0.891 146 L HN 0.115 nan 8.230 nan 0.000 0.431 147 P HA -0.215 nan 4.420 nan 0.000 0.215 147 P C 1.543 178.848 177.300 0.010 0.000 1.153 147 P CA 1.647 64.719 63.100 -0.047 0.000 0.853 147 P CB -0.326 31.357 31.700 -0.029 0.000 0.788 148 H N -0.159 118.901 119.070 -0.017 0.000 2.353 148 H HA -0.083 4.473 4.556 -0.000 0.000 0.300 148 H C 1.667 176.982 175.328 -0.022 0.000 1.090 148 H CA 1.412 57.434 56.048 -0.043 0.000 1.327 148 H CB -0.402 29.352 29.762 -0.013 0.000 1.383 148 H HN -0.120 nan 8.280 nan 0.000 0.508 149 V N 1.686 121.591 119.914 -0.014 0.000 2.343 149 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 149 V C 2.836 178.879 176.094 -0.084 0.000 1.051 149 V CA 1.414 63.706 62.300 -0.014 0.000 1.036 149 V CB -0.483 31.382 31.823 0.069 0.000 0.654 149 V HN 0.375 nan 8.190 nan 0.000 0.451 150 I N 0.414 120.920 120.570 -0.105 0.000 2.179 150 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 150 I C 2.363 178.353 176.117 -0.211 0.000 1.088 150 I CA 2.069 63.285 61.300 -0.139 0.000 1.357 150 I CB -1.324 36.596 38.000 -0.133 0.000 1.051 150 I HN 0.425 nan 8.210 nan 0.000 0.409 151 D N 0.834 121.121 120.400 -0.189 0.000 2.104 151 D HA -0.276 4.364 4.640 -0.000 0.000 0.194 151 D C 2.113 178.235 176.300 -0.297 0.000 0.994 151 D CA 1.562 55.469 54.000 -0.155 0.000 0.830 151 D CB 0.142 40.895 40.800 -0.077 0.000 0.959 151 D HN 0.222 nan 8.370 nan 0.000 0.452 152 E N -0.064 119.875 120.200 -0.435 0.000 2.077 152 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 152 E C 1.873 178.137 176.600 -0.561 0.000 0.989 152 E CA 1.536 57.637 56.400 -0.497 0.000 0.800 152 E CB -0.597 28.764 29.700 -0.566 0.000 0.746 152 E HN 0.320 nan 8.360 nan 0.000 0.452 153 A N 0.451 123.008 122.820 -0.439 0.000 1.883 153 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 153 A C 2.372 179.730 177.584 -0.376 0.000 1.186 153 A CA 1.693 53.541 52.037 -0.315 0.000 0.624 153 A CB -0.759 18.219 19.000 -0.036 0.000 0.822 153 A HN 0.366 nan 8.150 nan 0.000 0.444 154 I N -1.189 119.090 120.570 -0.485 0.000 2.202 154 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 154 I C 2.711 178.455 176.117 -0.621 0.000 1.091 154 I CA 1.751 62.636 61.300 -0.692 0.000 1.368 154 I CB -0.294 37.024 38.000 -1.137 0.000 1.058 154 I HN 0.369 nan 8.210 nan 0.000 0.410 155 R N 1.078 121.260 120.500 -0.530 0.000 2.096 155 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 155 R C 2.432 178.612 176.300 -0.201 0.000 1.127 155 R CA 1.336 57.310 56.100 -0.209 0.000 0.968 155 R CB -0.055 30.232 30.300 -0.022 0.000 0.861 155 R HN 0.253 nan 8.270 nan 0.000 0.440 156 R N -0.316 119.971 120.500 -0.355 0.000 2.073 156 R HA 0.014 4.354 4.340 -0.000 0.000 0.229 156 R C 2.351 178.449 176.300 -0.337 0.000 1.120 156 R CA 1.111 56.931 56.100 -0.467 0.000 0.967 156 R CB -0.267 29.762 30.300 -0.451 0.000 0.862 156 R HN 0.245 nan 8.270 nan 0.000 0.436 157 A N 0.495 123.163 122.820 -0.254 0.000 1.908 157 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 157 A C 1.751 179.251 177.584 -0.140 0.000 1.181 157 A CA 1.272 53.192 52.037 -0.196 0.000 0.627 157 A CB -0.602 18.223 19.000 -0.291 0.000 0.818 157 A HN 0.266 nan 8.150 nan 0.000 0.445 158 Y N -0.293 119.923 120.300 -0.140 0.000 2.133 158 Y HA -0.043 4.507 4.550 -0.000 0.000 0.287 158 Y C 2.992 178.899 175.900 0.013 0.000 1.134 158 Y CA 0.868 58.961 58.100 -0.011 0.000 1.133 158 Y CB -0.852 37.672 38.460 0.107 0.000 0.987 158 Y HN 0.307 nan 8.280 nan 0.000 0.502 159 A N -0.812 122.064 122.820 0.094 0.000 1.940 159 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 159 A C 1.526 179.170 177.584 0.101 0.000 1.176 159 A CA 2.101 54.137 52.037 -0.001 0.000 0.631 159 A CB -1.016 17.864 19.000 -0.200 0.000 0.814 159 A HN 0.721 nan 8.150 nan 0.000 0.446 160 H N -1.662 117.443 119.070 0.058 0.000 2.586 160 H HA 0.150 4.706 4.556 0.000 0.000 0.273 160 H C -0.292 175.061 175.328 0.043 0.000 0.997 160 H CA -0.197 55.872 56.048 0.036 0.000 1.177 160 H CB 0.353 30.125 29.762 0.017 0.000 1.471 160 H HN 0.328 nan 8.280 nan 0.000 0.538 161 Q N 0.692 120.585 119.800 0.155 0.000 2.443 161 Q HA -0.147 4.193 4.340 -0.000 0.000 0.337 161 Q C 0.253 176.313 176.000 0.100 0.000 1.401 161 Q CA 1.004 56.885 55.803 0.130 0.000 0.943 161 Q CB -1.460 27.378 28.738 0.167 0.000 1.177 161 Q HN 0.826 nan 8.270 nan 0.000 0.394 162 G N -2.020 106.805 108.800 0.042 0.000 2.664 162 G HA2 0.554 4.514 3.960 -0.000 0.000 0.303 162 G HA3 0.554 4.514 3.960 -0.000 0.000 0.303 162 G C -1.119 173.751 174.900 -0.050 0.000 1.243 162 G CA -0.227 44.876 45.100 0.005 0.000 0.826 162 G HN 0.104 nan 8.290 nan 0.000 0.498 163 V N 1.016 120.895 119.914 -0.059 0.000 2.407 163 V HA 0.661 4.781 4.120 -0.000 0.000 0.278 163 V C 0.454 176.521 176.094 -0.044 0.000 1.037 163 V CA -0.167 62.083 62.300 -0.083 0.000 0.900 163 V CB 0.869 32.622 31.823 -0.118 0.000 0.983 163 V HN 1.163 nan 8.190 nan 0.000 0.459 164 A N 5.110 127.896 122.820 -0.057 0.000 2.303 164 A HA 0.831 5.151 4.320 -0.000 0.000 0.320 164 A C -0.778 176.775 177.584 -0.051 0.000 1.192 164 A CA -0.497 51.547 52.037 0.010 0.000 0.821 164 A CB 1.328 20.332 19.000 0.006 0.000 1.188 164 A HN 0.648 nan 8.150 nan 0.000 0.492 165 V N 2.945 122.815 119.914 -0.073 0.000 2.495 165 V HA 0.546 4.666 4.120 -0.000 0.000 0.298 165 V C -0.513 175.464 176.094 -0.195 0.000 1.031 165 V CA -0.513 61.677 62.300 -0.183 0.000 0.871 165 V CB 1.658 33.322 31.823 -0.266 0.000 0.988 165 V HN 0.643 nan 8.190 nan 0.000 0.432 166 V N 4.462 124.257 119.914 -0.199 0.000 2.483 166 V HA 0.417 4.537 4.120 -0.000 0.000 0.297 166 V C -0.512 175.464 176.094 -0.197 0.000 1.027 166 V CA -0.769 61.425 62.300 -0.176 0.000 0.855 166 V CB 1.782 33.533 31.823 -0.119 0.000 0.995 166 V HN 0.947 nan 8.190 nan 0.000 0.424 167 Q N 4.368 124.060 119.800 -0.180 0.000 2.279 167 Q HA 0.624 4.964 4.340 -0.000 0.000 0.256 167 Q C -0.723 175.197 176.000 -0.133 0.000 0.937 167 Q CA 0.234 55.943 55.803 -0.156 0.000 0.933 167 Q CB 1.650 30.325 28.738 -0.106 0.000 1.189 167 Q HN 0.680 nan 8.270 nan 0.000 0.417 168 I N 4.680 125.160 120.570 -0.151 0.000 2.390 168 I HA 0.322 4.492 4.170 -0.000 0.000 0.283 168 I C -2.308 173.717 176.117 -0.153 0.000 1.016 168 I CA -2.560 58.649 61.300 -0.152 0.000 1.151 168 I CB 1.665 39.551 38.000 -0.190 0.000 1.293 168 I HN 0.337 nan 8.210 nan 0.000 0.458 169 P HA -0.044 nan 4.420 nan 0.000 0.264 169 P C 0.939 178.173 177.300 -0.110 0.000 1.193 169 P CA 0.155 63.206 63.100 -0.081 0.000 0.763 169 P CB 1.080 32.764 31.700 -0.027 0.000 0.810 170 V N 3.574 123.415 119.914 -0.122 0.000 2.594 170 V HA -0.223 3.897 4.120 -0.000 0.000 0.253 170 V C 1.612 177.643 176.094 -0.104 0.000 1.069 170 V CA 2.466 64.658 62.300 -0.181 0.000 1.082 170 V CB -0.878 30.855 31.823 -0.151 0.000 0.680 170 V HN 0.631 nan 8.190 nan 0.000 0.469 171 D N -0.420 120.002 120.400 0.037 0.000 2.178 171 D HA -0.205 4.435 4.640 -0.000 0.000 0.202 171 D C 2.014 178.357 176.300 0.071 0.000 0.974 171 D CA 1.391 55.473 54.000 0.136 0.000 0.841 171 D CB -0.571 40.307 40.800 0.130 0.000 0.953 171 D HN 0.499 nan 8.370 nan 0.000 0.478 172 L N 0.393 121.604 121.223 -0.020 0.000 2.017 172 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 172 L C -0.302 176.525 176.870 -0.070 0.000 1.073 172 L CA 1.329 56.148 54.840 -0.035 0.000 0.745 172 L CB -1.849 40.175 42.059 -0.058 0.000 0.894 172 L HN 0.094 nan 8.230 nan 0.000 0.432 173 P HA -0.151 nan 4.420 nan 0.000 0.230 173 P C 0.995 178.196 177.300 -0.165 0.000 1.158 173 P CA 1.044 63.998 63.100 -0.243 0.000 0.769 173 P CB -0.038 31.413 31.700 -0.415 0.000 0.807 174 W N -0.034 121.226 121.300 -0.067 0.000 3.290 174 W HA 0.219 4.879 4.660 0.000 0.000 0.287 174 W C 0.357 176.852 176.519 -0.040 0.000 1.288 174 W CA 0.133 57.447 57.345 -0.053 0.000 1.725 174 W CB -0.541 28.894 29.460 -0.042 0.000 1.103 174 W HN 0.123 nan 8.180 nan 0.000 0.670 175 Q N 1.105 120.994 119.800 0.148 0.000 2.261 175 Q HA 0.133 4.473 4.340 -0.000 0.000 0.252 175 Q C 0.413 176.447 176.000 0.056 0.000 0.915 175 Q CA -0.281 55.575 55.803 0.088 0.000 0.915 175 Q CB 1.206 29.979 28.738 0.059 0.000 1.204 175 Q HN -0.160 nan 8.270 nan 0.000 0.421 176 Q N 2.457 122.287 119.800 0.051 0.000 2.332 176 Q HA 0.312 4.652 4.340 -0.000 0.000 0.263 176 Q C -0.123 175.901 176.000 0.039 0.000 0.979 176 Q CA 0.230 56.057 55.803 0.041 0.000 0.885 176 Q CB 0.615 29.377 28.738 0.041 0.000 1.218 176 Q HN 0.587 nan 8.270 nan 0.000 0.405 177 I N -1.591 119.005 120.570 0.043 0.000 2.934 177 I HA 0.617 4.787 4.170 -0.000 0.000 0.306 177 I C -2.692 173.481 176.117 0.094 0.000 1.110 177 I CA -3.251 58.086 61.300 0.061 0.000 1.019 177 I CB 2.320 40.352 38.000 0.054 0.000 1.227 177 I HN 0.201 nan 8.210 nan 0.000 0.434 178 P HA 0.107 nan 4.420 nan 0.000 0.267 178 P C 0.305 177.719 177.300 0.190 0.000 1.205 178 P CA 0.021 63.192 63.100 0.119 0.000 0.765 178 P CB 1.165 32.924 31.700 0.099 0.000 0.828 179 A N 4.332 127.253 122.820 0.169 0.000 2.015 179 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 179 A C 1.661 179.356 177.584 0.184 0.000 1.163 179 A CA 1.344 53.521 52.037 0.234 0.000 0.646 179 A CB -0.683 18.410 19.000 0.155 0.000 0.806 179 A HN 0.628 nan 8.150 nan 0.000 0.448 180 E N -0.426 119.825 120.200 0.085 0.000 2.452 180 E HA -0.044 4.306 4.350 -0.000 0.000 0.197 180 E C 0.122 176.693 176.600 -0.048 0.000 1.022 180 E CA 0.723 57.110 56.400 -0.022 0.000 0.890 180 E CB -0.272 29.421 29.700 -0.011 0.000 0.918 180 E HN 0.453 nan 8.360 nan 0.000 0.496 181 D N 1.004 121.438 120.400 0.055 0.000 2.216 181 D HA -0.020 4.620 4.640 -0.000 0.000 0.208 181 D C 0.924 177.315 176.300 0.151 0.000 0.960 181 D CA 0.371 54.427 54.000 0.093 0.000 0.861 181 D CB -0.392 40.489 40.800 0.136 0.000 0.985 181 D HN 0.371 nan 8.370 nan 0.000 0.493 182 W N 2.026 123.397 121.300 0.118 0.000 2.126 182 W HA 0.374 5.034 4.660 -0.000 0.000 0.346 182 W C -0.485 176.168 176.519 0.224 0.000 1.279 182 W CA -0.698 56.729 57.345 0.136 0.000 1.259 182 W CB -0.314 29.184 29.460 0.064 0.000 1.133 182 W HN -0.030 nan 8.180 nan 0.000 0.592 183 Y N -0.338 120.065 120.300 0.172 0.000 2.670 183 Y HA 0.746 5.296 4.550 -0.000 0.000 0.334 183 Y C -1.587 174.472 175.900 0.265 0.000 1.185 183 Y CA -1.835 56.234 58.100 -0.051 0.000 1.053 183 Y CB 0.476 38.870 38.460 -0.111 0.000 1.298 183 Y HN 0.749 nan 8.280 nan 0.000 0.459 184 A N 0.707 123.639 122.820 0.187 0.000 2.340 184 A HA 0.580 4.900 4.320 -0.000 0.000 0.331 184 A C 0.210 177.888 177.584 0.156 0.000 1.140 184 A CA -0.335 51.789 52.037 0.144 0.000 0.801 184 A CB 0.904 20.010 19.000 0.177 0.000 1.234 184 A HN 1.297 nan 8.150 nan 0.000 0.469 185 S N 1.012 116.802 115.700 0.150 0.000 2.597 185 S HA 0.289 4.759 4.470 -0.000 0.000 0.224 185 S C 1.395 175.830 174.600 -0.275 0.000 0.955 185 S CA 0.540 58.830 58.200 0.150 0.000 0.933 185 S CB -0.021 63.370 63.200 0.319 0.000 0.788 185 S HN 1.267 nan 8.310 nan 0.000 0.488 186 A N 4.225 126.477 122.820 -0.948 0.000 1.948 186 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 186 A C 2.243 179.418 177.584 -0.682 0.000 1.177 186 A CA 1.816 52.836 52.037 -1.696 0.000 0.636 186 A CB -0.978 17.015 19.000 -1.679 0.000 0.815 186 A HN 0.807 nan 8.150 nan 0.000 0.449 187 N N 0.100 118.575 118.700 -0.376 0.000 2.348 187 N HA -0.099 4.641 4.740 -0.000 0.000 0.185 187 N C 1.136 176.574 175.510 -0.120 0.000 1.019 187 N CA 1.801 54.735 53.050 -0.193 0.000 0.880 187 N CB -0.599 37.811 38.487 -0.128 0.000 0.965 187 N HN 0.329 nan 8.380 nan 0.000 0.437 188 S N -0.817 114.823 115.700 -0.100 0.000 2.556 188 S HA 0.036 4.506 4.470 -0.000 0.000 0.216 188 S C 0.047 174.646 174.600 -0.002 0.000 0.970 188 S CA -0.711 57.470 58.200 -0.031 0.000 0.912 188 S CB -0.380 62.830 63.200 0.015 0.000 0.790 188 S HN 0.488 nan 8.310 nan 0.000 0.504 189 Y N 3.981 124.187 120.300 -0.158 0.000 2.712 189 Y HA 0.112 4.662 4.550 0.000 0.000 0.333 189 Y C 0.212 176.064 175.900 -0.080 0.000 1.225 189 Y CA 0.427 58.472 58.100 -0.092 0.000 1.499 189 Y CB 0.315 38.675 38.460 -0.166 0.000 1.288 189 Y HN 0.095 nan 8.280 nan 0.000 0.575 190 Q N 3.562 122.891 119.800 -0.786 0.000 2.416 190 Q HA 0.277 4.617 4.340 -0.000 0.000 0.281 190 Q C -0.655 174.780 176.000 -0.941 0.000 1.067 190 Q CA -0.780 54.572 55.803 -0.751 0.000 0.809 190 Q CB 1.812 30.360 28.738 -0.318 0.000 1.418 190 Q HN 0.812 nan 8.270 nan 0.000 0.411 191 T N -1.538 112.658 114.554 -0.596 0.000 2.904 191 T HA 0.544 4.894 4.350 -0.000 0.000 0.290 191 T C -2.074 172.522 174.700 -0.172 0.000 1.018 191 T CA -1.254 60.660 62.100 -0.309 0.000 1.075 191 T CB 0.022 68.824 68.868 -0.109 0.000 0.986 191 T HN 0.185 nan 8.240 nan 0.000 0.523 192 P HA 0.180 nan 4.420 nan 0.000 0.266 192 P C -0.212 177.063 177.300 -0.042 0.000 1.193 192 P CA -0.379 62.692 63.100 -0.049 0.000 0.770 192 P CB 0.239 31.935 31.700 -0.007 0.000 0.836 193 L N 1.914 123.116 121.223 -0.036 0.000 2.485 193 L HA 0.066 4.406 4.340 -0.000 0.000 0.275 193 L C 0.464 177.324 176.870 -0.016 0.000 1.207 193 L CA -0.025 54.798 54.840 -0.028 0.000 0.855 193 L CB -0.264 41.781 42.059 -0.024 0.000 1.114 193 L HN 0.210 nan 8.230 nan 0.000 0.485 194 L N 4.652 125.866 121.223 -0.015 0.000 2.255 194 L HA 0.350 4.690 4.340 -0.000 0.000 0.289 194 L C -2.026 174.839 176.870 -0.008 0.000 1.046 194 L CA -1.911 52.924 54.840 -0.009 0.000 0.816 194 L CB 0.673 42.727 42.059 -0.008 0.000 1.197 194 L HN 0.368 nan 8.230 nan 0.000 0.427 195 P HA 0.134 nan 4.420 nan 0.000 0.272 195 P C -0.733 176.563 177.300 -0.006 0.000 1.223 195 P CA -0.374 62.723 63.100 -0.005 0.000 0.784 195 P CB 0.693 32.392 31.700 -0.002 0.000 0.923 196 E N 2.502 122.699 120.200 -0.006 0.000 2.242 196 E HA 0.306 4.656 4.350 -0.000 0.000 0.275 196 E C -2.130 174.467 176.600 -0.006 0.000 1.002 196 E CA -1.861 54.535 56.400 -0.007 0.000 0.841 196 E CB 0.345 30.040 29.700 -0.008 0.000 1.109 196 E HN 0.383 nan 8.360 nan 0.000 0.394 197 P HA 0.091 nan 4.420 nan 0.000 0.280 197 P C -0.512 176.784 177.300 -0.007 0.000 1.244 197 P CA -0.295 62.801 63.100 -0.007 0.000 0.784 197 P CB 0.567 32.261 31.700 -0.009 0.000 0.913 198 D N 1.621 122.018 120.400 -0.006 0.000 2.450 198 D HA -0.005 4.635 4.640 -0.000 0.000 0.247 198 D C 1.498 177.793 176.300 -0.008 0.000 1.162 198 D CA -0.332 53.664 54.000 -0.006 0.000 0.879 198 D CB 0.837 41.634 40.800 -0.005 0.000 1.163 198 D HN 0.142 nan 8.370 nan 0.000 0.472 199 V N 2.071 121.979 119.914 -0.009 0.000 2.295 199 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 199 V C 1.878 177.965 176.094 -0.012 0.000 1.049 199 V CA 1.517 63.810 62.300 -0.011 0.000 1.024 199 V CB -1.162 30.655 31.823 -0.010 0.000 0.648 199 V HN 0.569 nan 8.190 nan 0.000 0.447 200 Q N 1.375 121.168 119.800 -0.011 0.000 2.084 200 Q HA 0.019 4.359 4.340 -0.000 0.000 0.202 200 Q C 2.457 178.448 176.000 -0.015 0.000 0.978 200 Q CA 2.286 58.081 55.803 -0.013 0.000 0.844 200 Q CB -0.823 27.908 28.738 -0.012 0.000 0.898 200 Q HN 0.767 nan 8.270 nan 0.000 0.426 201 A N 0.061 122.873 122.820 -0.013 0.000 1.902 201 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 201 A C 2.327 179.901 177.584 -0.017 0.000 1.181 201 A CA 1.427 53.456 52.037 -0.014 0.000 0.623 201 A CB -0.767 18.228 19.000 -0.008 0.000 0.818 201 A HN 0.230 nan 8.150 nan 0.000 0.443 202 V N -0.179 119.726 119.914 -0.015 0.000 2.343 202 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 202 V C 2.737 178.819 176.094 -0.020 0.000 1.051 202 V CA 2.457 64.747 62.300 -0.017 0.000 1.036 202 V CB -1.220 30.594 31.823 -0.015 0.000 0.654 202 V HN 0.617 nan 8.190 nan 0.000 0.451 203 T N -0.361 114.181 114.554 -0.020 0.000 2.746 203 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 203 T C 2.065 176.747 174.700 -0.029 0.000 1.039 203 T CA 1.409 63.495 62.100 -0.023 0.000 1.142 203 T CB -0.227 68.629 68.868 -0.020 0.000 0.866 203 T HN 0.427 nan 8.240 nan 0.000 0.444 204 R N 0.434 120.915 120.500 -0.032 0.000 2.081 204 R HA 0.063 4.403 4.340 -0.000 0.000 0.235 204 R C 2.522 178.790 176.300 -0.053 0.000 1.131 204 R CA 0.948 57.021 56.100 -0.045 0.000 0.960 204 R CB -0.627 29.647 30.300 -0.044 0.000 0.856 204 R HN 0.327 nan 8.270 nan 0.000 0.436 205 L N 0.650 121.849 121.223 -0.041 0.000 2.012 205 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 205 L C 1.947 178.796 176.870 -0.035 0.000 1.073 205 L CA 1.678 56.495 54.840 -0.039 0.000 0.748 205 L CB -0.367 41.676 42.059 -0.026 0.000 0.891 205 L HN 0.165 nan 8.230 nan 0.000 0.431 206 T N -0.704 113.833 114.554 -0.029 0.000 2.746 206 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 206 T C 1.870 176.553 174.700 -0.028 0.000 1.039 206 T CA 1.198 63.284 62.100 -0.023 0.000 1.142 206 T CB -0.153 68.702 68.868 -0.021 0.000 0.866 206 T HN 0.353 nan 8.240 nan 0.000 0.444 207 Q N 0.828 120.606 119.800 -0.037 0.000 2.084 207 Q HA -0.056 4.284 4.340 -0.000 0.000 0.202 207 Q C 2.626 178.595 176.000 -0.051 0.000 0.978 207 Q CA 1.467 57.246 55.803 -0.041 0.000 0.844 207 Q CB -1.161 27.549 28.738 -0.046 0.000 0.898 207 Q HN 0.496 nan 8.270 nan 0.000 0.426 208 T N 1.787 116.296 114.554 -0.075 0.000 2.777 208 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 208 T C 1.889 176.572 174.700 -0.029 0.000 1.040 208 T CA 0.939 62.978 62.100 -0.101 0.000 1.141 208 T CB -0.305 68.459 68.868 -0.172 0.000 0.868 208 T HN 0.100 nan 8.240 nan 0.000 0.444 209 L N 0.947 122.162 121.223 -0.015 0.000 2.046 209 L HA 0.044 4.384 4.340 -0.000 0.000 0.208 209 L C 2.137 179.015 176.870 0.012 0.000 1.077 209 L CA 1.583 56.430 54.840 0.012 0.000 0.747 209 L CB -0.621 41.446 42.059 0.013 0.000 0.896 209 L HN 0.248 nan 8.230 nan 0.000 0.432 210 L N -0.901 120.321 121.223 -0.002 0.000 2.141 210 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 210 L C 2.454 179.325 176.870 0.001 0.000 1.094 210 L CA 0.951 55.789 54.840 -0.003 0.000 0.763 210 L CB -0.747 41.305 42.059 -0.012 0.000 0.908 210 L HN 0.357 nan 8.230 nan 0.000 0.437 211 A N 0.092 122.913 122.820 0.001 0.000 2.167 211 A HA 0.254 4.574 4.320 -0.000 0.000 0.214 211 A C 1.380 178.979 177.584 0.024 0.000 1.151 211 A CA 0.509 52.553 52.037 0.011 0.000 0.735 211 A CB -0.416 18.588 19.000 0.007 0.000 0.802 211 A HN 0.281 nan 8.150 nan 0.000 0.467 212 A N 0.282 123.117 122.820 0.024 0.000 2.531 212 A HA 0.303 4.623 4.320 -0.000 0.000 0.236 212 A C 1.013 178.565 177.584 -0.052 0.000 1.062 212 A CA 0.024 52.061 52.037 0.001 0.000 0.760 212 A CB 0.262 19.259 19.000 -0.005 0.000 0.995 212 A HN 0.403 nan 8.150 nan 0.000 0.501 213 E N 1.519 121.655 120.200 -0.107 0.000 2.122 213 E HA -0.041 4.309 4.350 -0.000 0.000 0.190 213 E C 0.287 176.669 176.600 -0.364 0.000 0.977 213 E CA 0.906 57.216 56.400 -0.149 0.000 0.820 213 E CB 0.133 29.758 29.700 -0.125 0.000 0.770 213 E HN 0.700 nan 8.360 nan 0.000 0.462 214 R N 1.041 121.169 120.500 -0.619 0.000 2.653 214 R HA 0.238 4.578 4.340 -0.000 0.000 0.269 214 R C -2.518 173.251 176.300 -0.884 0.000 1.603 214 R CA -1.313 53.863 56.100 -1.540 0.000 1.671 214 R CB 1.432 30.683 30.300 -1.749 0.000 1.300 214 R HN 0.038 nan 8.270 nan 0.000 0.668 215 P HA 0.196 nan 4.420 nan 0.000 0.274 215 P C -0.549 176.942 177.300 0.318 0.000 1.231 215 P CA -0.096 63.032 63.100 0.048 0.000 0.790 215 P CB 1.483 33.243 31.700 0.100 0.000 0.951 216 L N 2.281 123.656 121.223 0.255 0.000 2.422 216 L HA 0.527 4.867 4.340 -0.000 0.000 0.264 216 L C 0.049 177.067 176.870 0.246 0.000 0.984 216 L CA -0.992 54.023 54.840 0.291 0.000 0.819 216 L CB 2.256 44.474 42.059 0.265 0.000 1.330 216 L HN 0.239 nan 8.230 nan 0.000 0.410 217 I N 2.531 123.263 120.570 0.270 0.000 2.321 217 I HA 0.261 4.431 4.170 -0.000 0.000 0.291 217 I C -1.272 175.079 176.117 0.390 0.000 0.998 217 I CA -0.516 60.960 61.300 0.292 0.000 1.227 217 I CB 1.260 39.423 38.000 0.273 0.000 1.368 217 I HN 0.398 nan 8.210 nan 0.000 0.466 218 Y N 9.469 129.891 120.300 0.203 0.000 2.555 218 Y HA 0.396 4.945 4.550 -0.000 0.000 0.326 218 Y C -1.202 174.730 175.900 0.053 0.000 0.984 218 Y CA -1.806 56.370 58.100 0.128 0.000 1.298 218 Y CB 0.502 39.107 38.460 0.242 0.000 1.094 218 Y HN 0.468 nan 8.280 nan 0.000 0.500 219 Y N 2.814 123.250 120.300 0.227 0.000 2.487 219 Y HA 0.977 5.527 4.550 -0.000 0.000 0.337 219 Y C 0.124 176.008 175.900 -0.025 0.000 1.076 219 Y CA -1.164 56.936 58.100 -0.001 0.000 1.115 219 Y CB 1.274 39.763 38.460 0.048 0.000 1.235 219 Y HN 0.563 nan 8.280 nan 0.000 0.468 220 G N 0.966 109.777 108.800 0.020 0.000 3.107 220 G HA2 0.373 4.333 3.960 -0.000 0.000 0.232 220 G HA3 0.373 4.333 3.960 -0.000 0.000 0.232 220 G C 0.343 175.325 174.900 0.137 0.000 1.339 220 G CA -0.732 44.385 45.100 0.028 0.000 1.033 220 G HN 1.127 nan 8.290 nan 0.000 0.567 221 I N -1.570 119.057 120.570 0.094 0.000 2.916 221 I HA 0.107 4.277 4.170 -0.000 0.000 0.267 221 I C 1.977 178.140 176.117 0.076 0.000 1.263 221 I CA 1.104 62.458 61.300 0.091 0.000 1.471 221 I CB -0.245 37.790 38.000 0.058 0.000 1.089 221 I HN 0.399 nan 8.210 nan 0.000 0.468 222 G N 1.244 110.077 108.800 0.055 0.000 2.498 222 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.219 222 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.219 222 G C 1.397 176.313 174.900 0.026 0.000 1.119 222 G CA 0.548 45.667 45.100 0.032 0.000 0.766 222 G HN 0.615 nan 8.290 nan 0.000 0.552 223 A N -0.114 122.733 122.820 0.046 0.000 2.415 223 A HA 0.390 4.710 4.320 -0.000 0.000 0.248 223 A C 1.980 179.560 177.584 -0.006 0.000 1.299 223 A CA -0.246 51.796 52.037 0.009 0.000 0.899 223 A CB -0.155 18.844 19.000 -0.001 0.000 0.997 223 A HN 0.266 nan 8.150 nan 0.000 0.506 224 R N 0.291 120.807 120.500 0.026 0.000 2.200 224 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 224 R C 1.016 177.314 176.300 -0.003 0.000 1.127 224 R CA 1.242 57.355 56.100 0.022 0.000 0.989 224 R CB -0.047 30.275 30.300 0.037 0.000 0.869 224 R HN 0.432 nan 8.270 nan 0.000 0.459 225 K N -0.696 119.699 120.400 -0.009 0.000 2.404 225 K HA 0.120 4.440 4.320 -0.000 0.000 0.194 225 K C 0.759 177.334 176.600 -0.041 0.000 1.023 225 K CA 0.266 56.543 56.287 -0.016 0.000 1.094 225 K CB 0.924 33.421 32.500 -0.005 0.000 0.841 225 K HN 0.035 nan 8.250 nan 0.000 0.523 226 A N 0.271 123.049 122.820 -0.069 0.000 2.606 226 A HA 0.267 4.587 4.320 -0.000 0.000 0.290 226 A C 1.573 179.064 177.584 -0.155 0.000 1.174 226 A CA -0.072 51.906 52.037 -0.100 0.000 0.958 226 A CB 0.042 18.983 19.000 -0.098 0.000 1.194 226 A HN 0.278 nan 8.150 nan 0.000 0.526 227 G N 0.965 109.676 108.800 -0.148 0.000 2.476 227 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.218 227 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.218 227 G C 1.572 176.370 174.900 -0.170 0.000 1.164 227 G CA 1.364 46.356 45.100 -0.180 0.000 0.768 227 G HN 0.553 nan 8.290 nan 0.000 0.560 228 K N 0.244 120.571 120.400 -0.122 0.000 2.026 228 K HA -0.102 4.218 4.320 -0.000 0.000 0.208 228 K C 2.489 179.019 176.600 -0.117 0.000 1.048 228 K CA 1.582 57.803 56.287 -0.109 0.000 0.929 228 K CB -0.092 32.364 32.500 -0.074 0.000 0.713 228 K HN 0.251 nan 8.250 nan 0.000 0.439 229 E N 0.922 121.057 120.200 -0.109 0.000 2.072 229 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 229 E C 1.953 178.484 176.600 -0.116 0.000 0.985 229 E CA 1.014 57.356 56.400 -0.097 0.000 0.801 229 E CB -0.093 29.559 29.700 -0.080 0.000 0.750 229 E HN 0.252 nan 8.360 nan 0.000 0.452 230 L N 0.543 121.665 121.223 -0.169 0.000 1.989 230 L HA -0.226 4.114 4.340 -0.000 0.000 0.211 230 L C 2.606 179.380 176.870 -0.161 0.000 1.071 230 L CA 1.665 56.389 54.840 -0.193 0.000 0.749 230 L CB -0.350 41.469 42.059 -0.399 0.000 0.890 230 L HN 0.179 nan 8.230 nan 0.000 0.431 231 E N -0.314 119.742 120.200 -0.239 0.000 2.077 231 E HA -0.294 4.055 4.350 -0.000 0.000 0.193 231 E C 2.220 178.678 176.600 -0.237 0.000 0.989 231 E CA 1.243 57.419 56.400 -0.374 0.000 0.800 231 E CB 0.045 29.455 29.700 -0.483 0.000 0.746 231 E HN 0.417 nan 8.360 nan 0.000 0.452 232 Q N 0.173 119.884 119.800 -0.149 0.000 2.079 232 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 232 Q C 2.301 178.266 176.000 -0.057 0.000 0.974 232 Q CA 1.140 56.891 55.803 -0.087 0.000 0.840 232 Q CB 0.015 28.709 28.738 -0.072 0.000 0.898 232 Q HN 0.346 nan 8.270 nan 0.000 0.430 233 L N -0.194 120.998 121.223 -0.052 0.000 2.046 233 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 233 L C 2.671 179.539 176.870 -0.003 0.000 1.077 233 L CA 1.294 56.118 54.840 -0.026 0.000 0.747 233 L CB -0.504 41.547 42.059 -0.013 0.000 0.896 233 L HN 0.257 nan 8.230 nan 0.000 0.432 234 S N -0.149 115.577 115.700 0.044 0.000 2.356 234 S HA -0.223 4.247 4.470 -0.000 0.000 0.223 234 S C 2.027 176.681 174.600 0.089 0.000 1.032 234 S CA 1.518 59.816 58.200 0.162 0.000 1.005 234 S CB -0.020 63.391 63.200 0.351 0.000 0.867 234 S HN 0.314 nan 8.310 nan 0.000 0.449 235 K N -0.186 120.277 120.400 0.104 0.000 2.057 235 K HA -0.035 4.285 4.320 -0.000 0.000 0.206 235 K C 2.333 178.864 176.600 -0.114 0.000 1.050 235 K CA 1.766 58.097 56.287 0.073 0.000 0.935 235 K CB -0.504 32.063 32.500 0.112 0.000 0.715 235 K HN 0.353 nan 8.250 nan 0.000 0.439 236 T N 1.546 116.044 114.554 -0.092 0.000 2.737 236 T HA -0.040 4.310 4.350 -0.000 0.000 0.265 236 T C 1.676 176.278 174.700 -0.163 0.000 1.038 236 T CA 0.989 63.025 62.100 -0.106 0.000 1.144 236 T CB 0.005 68.834 68.868 -0.066 0.000 0.866 236 T HN 0.102 nan 8.240 nan 0.000 0.434 237 L N 0.070 121.191 121.223 -0.170 0.000 2.567 237 L HA 0.198 4.538 4.340 -0.000 0.000 0.225 237 L C 0.170 176.862 176.870 -0.296 0.000 1.119 237 L CA 0.008 54.748 54.840 -0.167 0.000 0.871 237 L CB 0.005 42.018 42.059 -0.076 0.000 1.036 237 L HN 0.105 nan 8.230 nan 0.000 0.459 238 K N 1.006 121.050 120.400 -0.594 0.000 3.239 238 K HA -0.134 4.186 4.320 -0.000 0.000 0.270 238 K C -0.611 175.754 176.600 -0.393 0.000 1.049 238 K CA 0.789 56.313 56.287 -1.270 0.000 0.769 238 K CB -2.258 29.490 32.500 -1.253 0.000 1.305 238 K HN 0.324 nan 8.250 nan 0.000 0.469 239 I N 1.088 121.632 120.570 -0.043 0.000 2.418 239 I HA 0.235 4.405 4.170 -0.000 0.000 0.287 239 I C -2.124 174.276 176.117 0.472 0.000 1.008 239 I CA -2.437 59.043 61.300 0.300 0.000 1.104 239 I CB 2.004 40.126 38.000 0.203 0.000 1.264 239 I HN -0.165 nan 8.210 nan 0.000 0.438 240 P HA 0.201 nan 4.420 nan 0.000 0.269 240 P C -0.914 176.568 177.300 0.303 0.000 1.215 240 P CA -0.111 63.175 63.100 0.309 0.000 0.780 240 P CB 0.607 32.327 31.700 0.034 0.000 0.898 241 L N 2.727 124.140 121.223 0.316 0.000 2.325 241 L HA 0.647 4.987 4.340 -0.000 0.000 0.278 241 L C 0.432 177.414 176.870 0.186 0.000 1.023 241 L CA -0.627 54.448 54.840 0.392 0.000 0.811 241 L CB 1.058 43.505 42.059 0.646 0.000 1.249 241 L HN 0.406 nan 8.230 nan 0.000 0.431 242 M N 1.302 120.964 119.600 0.103 0.000 2.618 242 M HA 0.809 5.289 4.480 -0.000 0.000 0.281 242 M C -0.908 175.263 176.300 -0.216 0.000 1.267 242 M CA -0.520 54.671 55.300 -0.182 0.000 0.845 242 M CB 2.492 34.861 32.600 -0.383 0.000 1.732 242 M HN 0.498 nan 8.290 nan 0.000 0.461 243 S N -0.386 115.195 115.700 -0.197 0.000 2.651 243 S HA 0.754 5.224 4.470 -0.000 0.000 0.279 243 S C -0.299 174.386 174.600 0.142 0.000 1.148 243 S CA -0.167 57.891 58.200 -0.237 0.000 0.837 243 S CB 1.540 64.466 63.200 -0.456 0.000 1.138 243 S HN 1.026 nan 8.310 nan 0.000 0.478 244 T N -0.186 114.452 114.554 0.139 0.000 2.860 244 T HA 0.208 4.558 4.350 -0.000 0.000 0.299 244 T C 0.960 175.830 174.700 0.282 0.000 1.045 244 T CA -0.024 62.229 62.100 0.254 0.000 1.071 244 T CB -0.016 68.977 68.868 0.209 0.000 0.985 244 T HN 0.869 nan 8.240 nan 0.000 0.537 245 Y N 3.068 123.511 120.300 0.238 0.000 2.114 245 Y HA 0.036 4.586 4.550 -0.000 0.000 0.282 245 Y C -1.074 174.988 175.900 0.270 0.000 1.165 245 Y CA 1.087 59.324 58.100 0.228 0.000 1.148 245 Y CB -1.979 36.612 38.460 0.217 0.000 0.972 245 Y HN 0.512 nan 8.280 nan 0.000 0.504 246 P HA -0.100 nan 4.420 nan 0.000 0.221 246 P C 1.008 178.277 177.300 -0.052 0.000 1.145 246 P CA 2.245 65.165 63.100 -0.301 0.000 0.795 246 P CB -0.305 31.278 31.700 -0.194 0.000 0.775 247 A N -1.124 121.752 122.820 0.094 0.000 2.251 247 A HA -0.012 4.308 4.320 -0.000 0.000 0.209 247 A C 1.097 178.833 177.584 0.252 0.000 1.187 247 A CA -0.105 52.039 52.037 0.179 0.000 0.823 247 A CB -0.942 18.172 19.000 0.189 0.000 0.846 247 A HN 0.071 nan 8.150 nan 0.000 0.486 248 K N 0.011 120.580 120.400 0.282 0.000 2.524 248 K HA 0.222 4.542 4.320 -0.000 0.000 0.279 248 K C 1.198 177.906 176.600 0.179 0.000 0.993 248 K CA 1.057 57.470 56.287 0.210 0.000 1.030 248 K CB -0.104 32.489 32.500 0.156 0.000 0.891 248 K HN 0.685 nan 8.250 nan 0.000 0.488 249 G N 3.753 112.558 108.800 0.008 0.000 2.258 249 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.233 249 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.233 249 G C 0.889 175.805 174.900 0.026 0.000 1.006 249 G CA 0.282 45.394 45.100 0.019 0.000 0.620 249 G HN 0.646 nan 8.290 nan 0.000 0.511 250 I N 0.607 121.218 120.570 0.069 0.000 2.226 250 I HA -0.029 4.141 4.170 -0.000 0.000 0.245 250 I C 1.193 177.279 176.117 -0.051 0.000 1.100 250 I CA 1.296 62.617 61.300 0.036 0.000 1.374 250 I CB -0.175 37.885 38.000 0.100 0.000 1.057 250 I HN 0.116 nan 8.210 nan 0.000 0.413 251 V N 1.350 121.222 119.914 -0.070 0.000 2.483 251 V HA 0.490 4.610 4.120 -0.000 0.000 0.295 251 V C 0.377 176.383 176.094 -0.147 0.000 1.035 251 V CA -1.176 61.050 62.300 -0.124 0.000 0.896 251 V CB 1.386 33.151 31.823 -0.097 0.000 0.986 251 V HN 0.246 nan 8.190 nan 0.000 0.447 252 A N 2.779 125.552 122.820 -0.078 0.000 2.540 252 A HA 0.076 4.396 4.320 -0.000 0.000 0.239 252 A C 1.196 178.751 177.584 -0.048 0.000 1.061 252 A CA -0.045 51.966 52.037 -0.043 0.000 0.758 252 A CB -0.101 18.906 19.000 0.011 0.000 0.991 252 A HN 0.929 nan 8.150 nan 0.000 0.502 253 D N 1.558 121.922 120.400 -0.060 0.000 2.182 253 D HA -0.198 4.442 4.640 -0.000 0.000 0.201 253 D C 2.021 178.385 176.300 0.107 0.000 0.986 253 D CA 1.803 55.806 54.000 0.006 0.000 0.847 253 D CB -0.025 40.790 40.800 0.025 0.000 0.942 253 D HN 0.844 nan 8.370 nan 0.000 0.467 254 R N 0.071 120.619 120.500 0.081 0.000 2.237 254 R HA -0.139 4.201 4.340 -0.000 0.000 0.219 254 R C 0.944 177.320 176.300 0.127 0.000 1.080 254 R CA 0.092 56.242 56.100 0.084 0.000 0.995 254 R CB -0.764 29.573 30.300 0.061 0.000 0.875 254 R HN 0.049 nan 8.270 nan 0.000 0.462 255 Y N 3.689 124.020 120.300 0.051 0.000 2.745 255 Y HA 0.074 4.624 4.550 -0.000 0.000 0.335 255 Y C -1.762 174.190 175.900 0.086 0.000 1.212 255 Y CA -2.691 55.453 58.100 0.074 0.000 1.535 255 Y CB 0.960 39.474 38.460 0.090 0.000 1.220 255 Y HN -0.010 nan 8.280 nan 0.000 0.531 256 P HA -0.047 nan 4.420 nan 0.000 0.228 256 P C 0.184 177.110 177.300 -0.623 0.000 1.151 256 P CA 1.771 64.601 63.100 -0.450 0.000 0.770 256 P CB 0.291 31.781 31.700 -0.350 0.000 0.786 257 A N -2.284 119.923 122.820 -1.021 0.000 2.500 257 A HA 0.135 4.455 4.320 -0.000 0.000 0.267 257 A C -0.088 177.413 177.584 -0.140 0.000 1.290 257 A CA -0.300 51.373 52.037 -0.608 0.000 0.928 257 A CB -0.914 17.807 19.000 -0.464 0.000 1.066 257 A HN 0.072 nan 8.150 nan 0.000 0.516 258 Y N 1.124 121.342 120.300 -0.137 0.000 2.486 258 Y HA 0.397 4.947 4.550 -0.000 0.000 0.348 258 Y C 0.714 176.602 175.900 -0.021 0.000 1.000 258 Y CA -0.751 57.404 58.100 0.093 0.000 1.253 258 Y CB 0.441 39.035 38.460 0.224 0.000 1.140 258 Y HN 0.188 nan 8.280 nan 0.000 0.526 259 L N 5.619 126.507 121.223 -0.559 0.000 2.418 259 L HA 0.240 4.580 4.340 -0.000 0.000 0.218 259 L C 1.430 177.888 176.870 -0.686 0.000 1.125 259 L CA 0.620 55.141 54.840 -0.532 0.000 0.835 259 L CB -0.833 40.978 42.059 -0.412 0.000 0.953 259 L HN 0.998 nan 8.230 nan 0.000 0.454 260 G N 0.230 108.284 108.800 -1.242 0.000 2.512 260 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.210 260 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.210 260 G C -0.327 174.309 174.900 -0.440 0.000 1.295 260 G CA -0.268 44.370 45.100 -0.771 0.000 0.934 260 G HN 0.348 nan 8.290 nan 0.000 0.554 261 S N -0.418 115.177 115.700 -0.175 0.000 2.664 261 S HA 0.956 5.426 4.470 -0.000 0.000 0.304 261 S C 0.315 174.832 174.600 -0.138 0.000 1.099 261 S CA 0.601 58.756 58.200 -0.076 0.000 1.003 261 S CB 1.849 65.133 63.200 0.139 0.000 1.092 261 S HN 2.425 nan 8.310 nan 0.000 0.525 262 A N 0.696 123.450 122.820 -0.110 0.000 2.269 262 A HA 0.782 5.102 4.320 -0.000 0.000 0.327 262 A C 0.633 178.238 177.584 0.034 0.000 1.112 262 A CA -0.216 51.755 52.037 -0.111 0.000 0.865 262 A CB 0.016 18.890 19.000 -0.210 0.000 1.227 262 A HN 1.289 nan 8.150 nan 0.000 0.498 263 N N -1.335 117.345 118.700 -0.033 0.000 2.134 263 N HA -0.231 4.509 4.740 -0.000 0.000 0.204 263 N C 1.204 176.612 175.510 -0.171 0.000 0.732 263 N CA 1.505 54.470 53.050 -0.142 0.000 1.443 263 N CB -0.918 37.350 38.487 -0.365 0.000 1.597 263 N HN 0.745 nan 8.380 nan 0.000 0.388 264 R N 0.372 120.757 120.500 -0.192 0.000 2.167 264 R HA 0.336 4.676 4.340 -0.000 0.000 0.195 264 R C 0.086 176.409 176.300 0.038 0.000 1.027 264 R CA 0.699 56.737 56.100 -0.104 0.000 1.114 264 R CB 0.392 30.608 30.300 -0.140 0.000 1.075 264 R HN 0.204 nan 8.270 nan 0.000 0.538 265 V N 2.738 122.696 119.914 0.074 0.000 2.229 265 V HA 0.426 4.546 4.120 -0.000 0.000 0.245 265 V C -0.245 175.838 176.094 -0.019 0.000 1.243 265 V CA 0.188 62.482 62.300 -0.011 0.000 1.176 265 V CB 0.051 31.737 31.823 -0.228 0.000 1.323 265 V HN 0.417 nan 8.190 nan 0.000 0.499 266 A N 4.605 127.415 122.820 -0.016 0.000 2.610 266 A HA 0.794 5.114 4.320 -0.000 0.000 0.291 266 A C -1.130 176.405 177.584 -0.082 0.000 1.086 266 A CA -0.821 51.184 52.037 -0.054 0.000 0.677 266 A CB 1.714 20.656 19.000 -0.096 0.000 1.278 266 A HN 0.496 nan 8.150 nan 0.000 0.414 267 Q N 0.773 120.444 119.800 -0.215 0.000 2.365 267 Q HA 0.325 4.665 4.340 -0.000 0.000 0.269 267 Q C 0.431 175.941 176.000 -0.817 0.000 1.061 267 Q CA -0.775 54.754 55.803 -0.456 0.000 0.816 267 Q CB 2.650 31.218 28.738 -0.283 0.000 1.325 267 Q HN 0.862 nan 8.270 nan 0.000 0.446 268 K N 2.355 121.902 120.400 -1.422 0.000 2.034 268 K HA -0.200 4.120 4.320 -0.000 0.000 0.214 268 K C -1.034 175.144 176.600 -0.703 0.000 1.051 268 K CA 2.061 57.750 56.287 -0.997 0.000 0.931 268 K CB -0.680 31.183 32.500 -1.062 0.000 0.715 268 K HN 0.333 nan 8.250 nan 0.000 0.446 269 P HA -0.125 nan 4.420 nan 0.000 0.216 269 P C 0.892 177.949 177.300 -0.405 0.000 1.150 269 P CA 1.871 64.678 63.100 -0.488 0.000 0.837 269 P CB -0.062 31.361 31.700 -0.462 0.000 0.786 270 A N -0.334 122.221 122.820 -0.441 0.000 1.873 270 A HA -0.212 4.108 4.320 -0.000 0.000 0.215 270 A C 2.186 179.586 177.584 -0.308 0.000 1.186 270 A CA 1.804 53.615 52.037 -0.376 0.000 0.616 270 A CB -1.463 17.294 19.000 -0.406 0.000 0.823 270 A HN 0.104 nan 8.150 nan 0.000 0.442 271 N N 0.055 118.575 118.700 -0.300 0.000 2.120 271 N HA -0.140 4.600 4.740 -0.000 0.000 0.188 271 N C 1.686 177.089 175.510 -0.178 0.000 1.024 271 N CA 1.675 54.590 53.050 -0.226 0.000 0.852 271 N CB -0.408 37.947 38.487 -0.220 0.000 1.003 271 N HN 0.674 nan 8.380 nan 0.000 0.424 272 E N 0.469 120.553 120.200 -0.194 0.000 2.072 272 E HA -0.056 4.294 4.350 -0.000 0.000 0.191 272 E C 1.942 178.510 176.600 -0.053 0.000 0.985 272 E CA 1.086 57.410 56.400 -0.127 0.000 0.801 272 E CB -0.087 29.527 29.700 -0.144 0.000 0.750 272 E HN 0.345 nan 8.360 nan 0.000 0.452 273 A N 1.270 124.043 122.820 -0.078 0.000 1.898 273 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 273 A C 2.170 179.854 177.584 0.166 0.000 1.181 273 A CA 0.937 53.012 52.037 0.063 0.000 0.620 273 A CB -0.534 18.413 19.000 -0.088 0.000 0.819 273 A HN 0.216 nan 8.150 nan 0.000 0.442 274 L N -0.077 121.148 121.223 0.005 0.000 2.079 274 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 274 L C 2.605 179.492 176.870 0.029 0.000 1.081 274 L CA 2.120 56.960 54.840 0.001 0.000 0.752 274 L CB -0.716 41.263 42.059 -0.133 0.000 0.896 274 L HN 0.347 nan 8.230 nan 0.000 0.433 275 A N -1.527 121.295 122.820 0.002 0.000 2.019 275 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 275 A C 2.054 179.655 177.584 0.029 0.000 1.164 275 A CA 1.453 53.489 52.037 -0.001 0.000 0.644 275 A CB -0.336 18.649 19.000 -0.025 0.000 0.805 275 A HN 0.610 nan 8.150 nan 0.000 0.449 276 Q N -0.677 119.175 119.800 0.087 0.000 2.384 276 Q HA 0.304 4.644 4.340 -0.000 0.000 0.207 276 Q C 0.823 176.785 176.000 -0.064 0.000 0.904 276 Q CA 0.642 56.490 55.803 0.075 0.000 0.933 276 Q CB -0.290 28.598 28.738 0.250 0.000 1.077 276 Q HN 0.576 nan 8.270 nan 0.000 0.522 277 A N 2.558 125.367 122.820 -0.018 0.000 2.425 277 A HA 0.116 4.436 4.320 -0.000 0.000 0.249 277 A C 0.735 178.239 177.584 -0.134 0.000 1.084 277 A CA 0.043 51.992 52.037 -0.146 0.000 0.781 277 A CB 0.259 19.296 19.000 0.061 0.000 1.019 277 A HN 0.207 nan 8.150 nan 0.000 0.490 278 D N 0.786 121.059 120.400 -0.212 0.000 2.338 278 D HA 0.067 4.707 4.640 -0.000 0.000 0.208 278 D C 0.047 176.315 176.300 -0.053 0.000 0.997 278 D CA 0.543 54.460 54.000 -0.139 0.000 0.880 278 D CB -0.051 40.647 40.800 -0.170 0.000 0.980 278 D HN 0.177 nan 8.370 nan 0.000 0.509 279 V N 1.076 120.982 119.914 -0.014 0.000 2.577 279 V HA 0.409 4.529 4.120 -0.000 0.000 0.303 279 V C -0.655 175.486 176.094 0.077 0.000 1.042 279 V CA -0.977 61.366 62.300 0.073 0.000 0.872 279 V CB 2.566 34.453 31.823 0.107 0.000 0.998 279 V HN -0.071 nan 8.190 nan 0.000 0.423 280 V N 5.554 125.509 119.914 0.069 0.000 2.487 280 V HA 0.451 4.571 4.120 -0.000 0.000 0.298 280 V C -0.514 175.535 176.094 -0.075 0.000 1.028 280 V CA -0.632 61.706 62.300 0.063 0.000 0.860 280 V CB 1.826 33.728 31.823 0.132 0.000 0.991 280 V HN 0.676 nan 8.190 nan 0.000 0.427 281 L N 5.998 127.236 121.223 0.025 0.000 2.268 281 L HA 0.520 4.860 4.340 -0.000 0.000 0.289 281 L C -0.883 176.018 176.870 0.053 0.000 1.064 281 L CA 0.086 54.918 54.840 -0.013 0.000 0.824 281 L CB 0.380 42.465 42.059 0.043 0.000 1.202 281 L HN 0.538 nan 8.230 nan 0.000 0.433 282 F N 6.172 125.931 119.950 -0.318 0.000 2.334 282 F HA 0.589 5.116 4.527 0.000 0.000 0.367 282 F C -0.715 174.998 175.800 -0.145 0.000 1.115 282 F CA -0.560 57.270 58.000 -0.284 0.000 1.116 282 F CB 0.955 39.565 39.000 -0.649 0.000 1.230 282 F HN 0.191 nan 8.300 nan 0.000 0.484 283 V N 4.801 124.573 119.914 -0.237 0.000 2.483 283 V HA 0.535 4.655 4.120 -0.000 0.000 0.297 283 V C 0.480 176.473 176.094 -0.168 0.000 1.027 283 V CA -0.704 61.518 62.300 -0.130 0.000 0.855 283 V CB 1.095 32.916 31.823 -0.003 0.000 0.995 283 V HN 0.965 nan 8.190 nan 0.000 0.424 284 G N 3.234 111.952 108.800 -0.137 0.000 2.366 284 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.299 284 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.299 284 G C -0.033 174.768 174.900 -0.165 0.000 1.020 284 G CA 0.663 45.705 45.100 -0.097 0.000 1.026 284 G HN 0.740 nan 8.290 nan 0.000 0.512 285 N N -0.292 118.196 118.700 -0.353 0.000 2.371 285 N HA 0.384 5.124 4.740 -0.000 0.000 0.291 285 N C -0.487 174.843 175.510 -0.300 0.000 1.053 285 N CA -0.855 51.867 53.050 -0.546 0.000 0.870 285 N CB 1.486 39.134 38.487 -1.399 0.000 1.503 285 N HN 0.074 nan 8.380 nan 0.000 0.485 286 N N 2.840 121.542 118.700 0.004 0.000 2.497 286 N HA 0.065 4.805 4.740 -0.000 0.000 0.284 286 N C -1.170 174.525 175.510 0.309 0.000 1.459 286 N CA -0.409 52.765 53.050 0.206 0.000 0.899 286 N CB -0.257 38.313 38.487 0.139 0.000 1.316 286 N HN 0.442 nan 8.380 nan 0.000 0.500 287 Y N 2.196 122.644 120.300 0.246 0.000 2.805 287 Y HA -0.051 4.499 4.550 -0.000 0.000 0.386 287 Y C -1.289 174.752 175.900 0.236 0.000 1.313 287 Y CA -0.814 57.466 58.100 0.299 0.000 1.683 287 Y CB 0.628 39.352 38.460 0.439 0.000 1.168 287 Y HN 0.324 nan 8.280 nan 0.000 0.514 288 P HA -0.089 nan 4.420 nan 0.000 0.241 288 P C 0.580 177.510 177.300 -0.617 0.000 1.191 288 P CA 1.070 63.946 63.100 -0.372 0.000 0.771 288 P CB -0.031 31.390 31.700 -0.464 0.000 0.929 289 F N -0.120 119.434 119.950 -0.659 0.000 2.765 289 F HA 0.330 4.857 4.527 -0.000 0.000 0.302 289 F C 2.424 178.007 175.800 -0.361 0.000 1.111 289 F CA 0.069 57.735 58.000 -0.557 0.000 1.359 289 F CB -0.937 37.677 39.000 -0.644 0.000 1.097 289 F HN -0.083 nan 8.300 nan 0.000 0.577 290 A N 0.743 123.508 122.820 -0.091 0.000 1.869 290 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 290 A C 2.071 179.703 177.584 0.080 0.000 1.203 290 A CA 2.363 54.499 52.037 0.164 0.000 0.638 290 A CB -0.637 18.610 19.000 0.411 0.000 0.831 290 A HN 0.358 nan 8.150 nan 0.000 0.450 291 E N -0.508 119.734 120.200 0.069 0.000 2.051 291 E HA -0.069 4.281 4.350 -0.000 0.000 0.189 291 E C 2.101 178.722 176.600 0.036 0.000 0.979 291 E CA 1.440 57.873 56.400 0.055 0.000 0.803 291 E CB -0.502 29.221 29.700 0.039 0.000 0.761 291 E HN 0.603 nan 8.360 nan 0.000 0.451 292 V N -0.174 119.758 119.914 0.030 0.000 2.626 292 V HA -0.160 3.960 4.120 -0.000 0.000 0.252 292 V C 1.974 178.097 176.094 0.048 0.000 1.067 292 V CA 1.794 64.118 62.300 0.040 0.000 1.081 292 V CB -0.684 31.169 31.823 0.050 0.000 0.686 292 V HN 0.297 nan 8.190 nan 0.000 0.468 293 S N -0.934 114.800 115.700 0.056 0.000 2.556 293 S HA 0.170 4.640 4.470 -0.000 0.000 0.216 293 S C 0.905 175.504 174.600 -0.002 0.000 0.970 293 S CA 0.115 58.334 58.200 0.032 0.000 0.912 293 S CB -0.587 62.642 63.200 0.048 0.000 0.790 293 S HN 0.716 nan 8.310 nan 0.000 0.504 294 K N 0.409 120.809 120.400 0.000 0.000 3.077 294 K HA -0.233 4.087 4.320 -0.000 0.000 0.264 294 K C 1.153 177.712 176.600 -0.068 0.000 1.008 294 K CA 0.409 56.690 56.287 -0.009 0.000 0.740 294 K CB -2.270 30.229 32.500 -0.001 0.000 1.273 294 K HN 0.562 nan 8.250 nan 0.000 0.477 295 A N 0.336 123.058 122.820 -0.164 0.000 1.940 295 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 295 A C 1.290 178.599 177.584 -0.459 0.000 1.176 295 A CA 1.513 53.322 52.037 -0.380 0.000 0.631 295 A CB -0.277 18.363 19.000 -0.600 0.000 0.814 295 A HN 0.368 nan 8.150 nan 0.000 0.446 296 F N -0.083 119.851 119.950 -0.027 0.000 2.684 296 F HA 0.193 4.720 4.527 -0.000 0.000 0.298 296 F C 1.730 177.441 175.800 -0.148 0.000 1.120 296 F CA -0.027 57.858 58.000 -0.190 0.000 1.332 296 F CB -0.017 38.627 39.000 -0.593 0.000 0.986 296 F HN 0.357 nan 8.300 nan 0.000 0.524 297 K N -0.253 120.187 120.400 0.067 0.000 2.147 297 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 297 K C 0.745 177.380 176.600 0.059 0.000 1.049 297 K CA 1.724 58.059 56.287 0.079 0.000 0.936 297 K CB -0.136 32.388 32.500 0.038 0.000 0.722 297 K HN 0.124 nan 8.250 nan 0.000 0.446 298 N N 0.751 119.472 118.700 0.035 0.000 2.203 298 N HA 0.035 4.775 4.740 -0.000 0.000 0.207 298 N C -0.608 174.902 175.510 0.000 0.000 1.130 298 N CA 0.145 53.202 53.050 0.011 0.000 0.861 298 N CB 0.919 39.403 38.487 -0.005 0.000 1.005 298 N HN 0.137 nan 8.380 nan 0.000 0.507 299 T N 0.853 115.422 114.554 0.025 0.000 2.853 299 T HA 0.087 4.437 4.350 -0.000 0.000 0.298 299 T C 1.475 176.157 174.700 -0.030 0.000 0.978 299 T CA -0.037 62.073 62.100 0.016 0.000 1.152 299 T CB 2.118 71.016 68.868 0.049 0.000 0.914 299 T HN 0.150 nan 8.240 nan 0.000 0.539 300 R N 2.035 122.460 120.500 -0.126 0.000 2.055 300 R HA 0.026 4.366 4.340 -0.000 0.000 0.226 300 R C -0.376 175.690 176.300 -0.389 0.000 1.135 300 R CA 1.030 56.924 56.100 -0.343 0.000 0.959 300 R CB 0.204 30.167 30.300 -0.561 0.000 0.854 300 R HN 0.596 nan 8.270 nan 0.000 0.431 301 Y N -1.119 119.227 120.300 0.077 0.000 2.409 301 Y HA 0.365 4.915 4.550 -0.000 0.000 0.343 301 Y C -1.126 174.856 175.900 0.137 0.000 0.973 301 Y CA -1.386 56.774 58.100 0.099 0.000 1.064 301 Y CB 1.534 40.024 38.460 0.049 0.000 1.207 301 Y HN -0.061 nan 8.280 nan 0.000 0.452 302 F N 4.574 124.614 119.950 0.151 0.000 2.460 302 F HA 0.699 5.226 4.527 -0.000 0.000 0.341 302 F C -1.605 174.221 175.800 0.043 0.000 1.130 302 F CA -1.003 57.003 58.000 0.011 0.000 0.962 302 F CB 0.719 39.709 39.000 -0.017 0.000 1.171 302 F HN 0.336 nan 8.300 nan 0.000 0.436 303 L N 5.986 127.019 121.223 -0.317 0.000 2.333 303 L HA 0.553 4.893 4.340 -0.000 0.000 0.280 303 L C -0.754 175.951 176.870 -0.275 0.000 1.004 303 L CA -0.662 54.072 54.840 -0.176 0.000 0.820 303 L CB 1.880 43.886 42.059 -0.088 0.000 1.247 303 L HN 0.584 nan 8.230 nan 0.000 0.416 304 Q N 3.508 123.245 119.800 -0.105 0.000 2.356 304 Q HA 0.679 5.019 4.340 -0.000 0.000 0.270 304 Q C -1.584 174.425 176.000 0.015 0.000 1.058 304 Q CA -0.627 55.162 55.803 -0.024 0.000 0.802 304 Q CB 2.648 31.465 28.738 0.131 0.000 1.303 304 Q HN 0.626 nan 8.270 nan 0.000 0.444 305 I N 3.122 123.696 120.570 0.007 0.000 2.418 305 I HA 0.463 4.633 4.170 -0.000 0.000 0.287 305 I C -0.920 175.197 176.117 0.001 0.000 1.008 305 I CA -0.501 60.800 61.300 0.002 0.000 1.104 305 I CB 1.796 39.789 38.000 -0.012 0.000 1.264 305 I HN 0.551 nan 8.210 nan 0.000 0.438 306 D N 4.837 125.246 120.400 0.014 0.000 2.736 306 D HA 0.284 4.924 4.640 -0.000 0.000 0.223 306 D C 0.070 176.376 176.300 0.009 0.000 1.231 306 D CA -0.483 53.523 54.000 0.009 0.000 0.818 306 D CB 2.996 43.815 40.800 0.032 0.000 1.587 306 D HN 0.498 nan 8.370 nan 0.000 0.463 307 I N 0.939 121.510 120.570 0.001 0.000 3.059 307 I HA -0.058 4.112 4.170 -0.000 0.000 0.270 307 I C 0.100 176.219 176.117 0.003 0.000 1.238 307 I CA 0.607 61.908 61.300 0.001 0.000 1.478 307 I CB 0.341 38.341 38.000 -0.001 0.000 1.097 307 I HN 0.181 nan 8.210 nan 0.000 0.455 308 D N 0.836 121.238 120.400 0.003 0.000 2.349 308 D HA 0.188 4.828 4.640 -0.000 0.000 0.232 308 D C -1.661 174.649 176.300 0.016 0.000 1.071 308 D CA -2.664 51.337 54.000 0.002 0.000 0.832 308 D CB 1.528 42.319 40.800 -0.015 0.000 1.086 308 D HN 0.001 nan 8.370 nan 0.000 0.504 309 P HA -0.098 nan 4.420 nan 0.000 0.222 309 P C 0.966 178.283 177.300 0.027 0.000 1.147 309 P CA 0.552 63.666 63.100 0.023 0.000 0.790 309 P CB 0.197 31.907 31.700 0.016 0.000 0.780 310 A N 0.207 123.039 122.820 0.020 0.000 2.125 310 A HA -0.117 4.202 4.320 -0.000 0.000 0.219 310 A C 2.040 179.649 177.584 0.042 0.000 1.156 310 A CA 1.265 53.316 52.037 0.024 0.000 0.671 310 A CB -0.646 18.361 19.000 0.012 0.000 0.794 310 A HN 0.070 nan 8.150 nan 0.000 0.459 311 K N -0.601 119.832 120.400 0.054 0.000 2.361 311 K HA 0.267 4.587 4.320 -0.000 0.000 0.194 311 K C 0.075 176.751 176.600 0.126 0.000 1.032 311 K CA 0.036 56.378 56.287 0.093 0.000 1.048 311 K CB -0.023 32.531 32.500 0.090 0.000 0.842 311 K HN 0.437 nan 8.250 nan 0.000 0.526 312 L N 1.465 122.747 121.223 0.098 0.000 2.385 312 L HA 0.130 4.470 4.340 -0.000 0.000 0.281 312 L C 1.029 177.962 176.870 0.106 0.000 1.106 312 L CA 0.250 55.157 54.840 0.112 0.000 0.856 312 L CB 0.068 42.175 42.059 0.079 0.000 1.186 312 L HN 0.458 nan 8.230 nan 0.000 0.453 313 G N 2.517 111.403 108.800 0.145 0.000 2.148 313 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.254 313 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.254 313 G C 1.073 176.005 174.900 0.053 0.000 0.981 313 G CA 0.649 45.804 45.100 0.091 0.000 0.670 313 G HN 0.745 nan 8.290 nan 0.000 0.528 314 K N -0.216 120.242 120.400 0.097 0.000 2.025 314 K HA 0.001 4.321 4.320 -0.000 0.000 0.207 314 K C 2.441 179.076 176.600 0.058 0.000 1.049 314 K CA 1.171 57.506 56.287 0.079 0.000 0.933 314 K CB -0.133 32.436 32.500 0.115 0.000 0.714 314 K HN 0.263 nan 8.250 nan 0.000 0.438 315 R N -0.613 119.931 120.500 0.074 0.000 2.290 315 R HA 0.157 4.497 4.340 -0.000 0.000 0.197 315 R C 0.243 176.484 176.300 -0.097 0.000 0.913 315 R CA 0.349 56.478 56.100 0.048 0.000 1.040 315 R CB 0.295 30.690 30.300 0.158 0.000 0.992 315 R HN 0.377 nan 8.270 nan 0.000 0.500 316 H N -0.407 118.384 119.070 -0.465 0.000 3.060 316 H HA 0.152 4.708 4.556 -0.000 0.000 0.330 316 H C -1.141 173.905 175.328 -0.471 0.000 1.305 316 H CA -0.674 54.965 56.048 -0.680 0.000 1.209 316 H CB 2.097 30.898 29.762 -1.601 0.000 1.913 316 H HN -0.187 nan 8.280 nan 0.000 0.534 317 K N 1.800 121.807 120.400 -0.655 0.000 2.451 317 K HA 0.052 4.372 4.320 -0.000 0.000 0.280 317 K C -0.318 176.270 176.600 -0.021 0.000 1.020 317 K CA 0.273 56.392 56.287 -0.280 0.000 1.008 317 K CB 0.642 32.978 32.500 -0.274 0.000 0.917 317 K HN 0.445 nan 8.250 nan 0.000 0.478 318 T N 2.632 117.256 114.554 0.117 0.000 2.882 318 T HA 0.122 4.472 4.350 -0.000 0.000 0.287 318 T C 0.409 175.212 174.700 0.173 0.000 0.992 318 T CA -0.698 61.559 62.100 0.262 0.000 1.076 318 T CB 0.820 69.825 68.868 0.228 0.000 0.961 318 T HN 0.617 nan 8.240 nan 0.000 0.490 319 D N 2.768 123.286 120.400 0.196 0.000 2.277 319 D HA 0.195 4.835 4.640 -0.000 0.000 0.209 319 D C 0.221 176.554 176.300 0.056 0.000 0.970 319 D CA 0.781 54.856 54.000 0.125 0.000 0.874 319 D CB 0.728 41.625 40.800 0.161 0.000 0.982 319 D HN 0.458 nan 8.370 nan 0.000 0.504 320 I N 0.490 121.094 120.570 0.056 0.000 2.607 320 I HA 0.396 4.566 4.170 -0.000 0.000 0.290 320 I C -1.102 175.038 176.117 0.039 0.000 1.129 320 I CA -0.779 60.536 61.300 0.025 0.000 1.042 320 I CB 2.514 40.509 38.000 -0.009 0.000 1.242 320 I HN -0.231 nan 8.210 nan 0.000 0.421 321 A N 5.843 128.687 122.820 0.040 0.000 2.356 321 A HA 0.873 5.193 4.320 -0.000 0.000 0.310 321 A C -1.154 176.447 177.584 0.029 0.000 1.075 321 A CA -0.569 51.497 52.037 0.048 0.000 0.746 321 A CB 1.594 20.635 19.000 0.068 0.000 1.221 321 A HN 0.406 nan 8.150 nan 0.000 0.443 322 V N 3.330 123.259 119.914 0.024 0.000 2.407 322 V HA 0.281 4.401 4.120 -0.000 0.000 0.291 322 V C -0.577 175.527 176.094 0.017 0.000 1.018 322 V CA -0.365 61.943 62.300 0.014 0.000 0.842 322 V CB 1.370 33.195 31.823 0.004 0.000 0.996 322 V HN 0.796 nan 8.190 nan 0.000 0.426 323 L N 5.904 127.137 121.223 0.015 0.000 2.375 323 L HA 0.763 5.103 4.340 -0.000 0.000 0.276 323 L C 0.272 177.146 176.870 0.007 0.000 1.162 323 L CA 0.590 55.439 54.840 0.014 0.000 0.991 323 L CB -0.393 41.675 42.059 0.015 0.000 1.315 323 L HN 0.838 nan 8.230 nan 0.000 0.431 324 A N 2.896 125.719 122.820 0.004 0.000 2.586 324 A HA 0.423 4.743 4.320 -0.000 0.000 0.290 324 A C -1.274 176.308 177.584 -0.003 0.000 1.086 324 A CA -0.841 51.196 52.037 -0.001 0.000 0.665 324 A CB 0.558 19.556 19.000 -0.003 0.000 1.279 324 A HN 0.464 nan 8.150 nan 0.000 0.423 325 D N 0.740 121.137 120.400 -0.005 0.000 2.488 325 D HA 0.413 5.053 4.640 -0.000 0.000 0.238 325 D C 1.323 177.617 176.300 -0.011 0.000 1.138 325 D CA 0.950 54.946 54.000 -0.007 0.000 0.873 325 D CB 1.194 41.990 40.800 -0.007 0.000 1.183 325 D HN 0.779 nan 8.370 nan 0.000 0.458 326 A N 3.624 126.437 122.820 -0.012 0.000 1.858 326 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 326 A C 1.995 179.563 177.584 -0.026 0.000 1.190 326 A CA 1.761 53.787 52.037 -0.019 0.000 0.617 326 A CB -0.783 18.206 19.000 -0.020 0.000 0.827 326 A HN 0.822 nan 8.150 nan 0.000 0.443 327 Q N -0.313 119.471 119.800 -0.026 0.000 2.050 327 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 327 Q C 2.036 178.020 176.000 -0.027 0.000 0.980 327 Q CA 1.868 57.651 55.803 -0.032 0.000 0.840 327 Q CB -0.132 28.589 28.738 -0.029 0.000 0.898 327 Q HN 0.691 nan 8.270 nan 0.000 0.424 328 K N -0.646 119.742 120.400 -0.020 0.000 2.057 328 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 328 K C 2.106 178.695 176.600 -0.018 0.000 1.049 328 K CA 1.790 58.067 56.287 -0.018 0.000 0.931 328 K CB -0.090 32.402 32.500 -0.014 0.000 0.714 328 K HN 0.233 nan 8.250 nan 0.000 0.440 329 T N 1.882 116.425 114.554 -0.018 0.000 2.737 329 T HA -0.053 4.297 4.350 -0.000 0.000 0.265 329 T C 1.919 176.607 174.700 -0.020 0.000 1.038 329 T CA 0.919 63.009 62.100 -0.017 0.000 1.144 329 T CB -0.160 68.699 68.868 -0.014 0.000 0.866 329 T HN 0.083 nan 8.240 nan 0.000 0.434 330 L N 0.865 122.072 121.223 -0.026 0.000 2.083 330 L HA -0.052 4.288 4.340 -0.000 0.000 0.209 330 L C 3.045 179.896 176.870 -0.032 0.000 1.083 330 L CA 1.065 55.887 54.840 -0.030 0.000 0.752 330 L CB -0.670 41.363 42.059 -0.044 0.000 0.899 330 L HN 0.243 nan 8.230 nan 0.000 0.433 331 A N 0.111 122.912 122.820 -0.031 0.000 1.902 331 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 331 A C 2.527 180.097 177.584 -0.024 0.000 1.181 331 A CA 1.812 53.832 52.037 -0.029 0.000 0.623 331 A CB -0.693 18.291 19.000 -0.027 0.000 0.818 331 A HN 0.402 nan 8.150 nan 0.000 0.443 332 A N -0.191 122.616 122.820 -0.021 0.000 1.930 332 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 332 A C 2.098 179.671 177.584 -0.019 0.000 1.175 332 A CA 1.401 53.427 52.037 -0.019 0.000 0.627 332 A CB -0.566 18.424 19.000 -0.016 0.000 0.815 332 A HN 0.509 nan 8.150 nan 0.000 0.443 333 I N -0.942 119.616 120.570 -0.020 0.000 2.179 333 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 333 I C 2.396 178.500 176.117 -0.021 0.000 1.088 333 I CA 1.168 62.457 61.300 -0.019 0.000 1.357 333 I CB -0.321 37.669 38.000 -0.016 0.000 1.051 333 I HN 0.353 nan 8.210 nan 0.000 0.409 334 L N 1.304 122.513 121.223 -0.024 0.000 2.083 334 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 334 L C 2.502 179.357 176.870 -0.025 0.000 1.083 334 L CA 1.978 56.801 54.840 -0.027 0.000 0.752 334 L CB -0.709 41.331 42.059 -0.032 0.000 0.899 334 L HN 0.197 nan 8.230 nan 0.000 0.433 335 A N -0.751 122.055 122.820 -0.022 0.000 2.067 335 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 335 A C 1.964 179.537 177.584 -0.019 0.000 1.158 335 A CA 1.477 53.502 52.037 -0.020 0.000 0.661 335 A CB -0.527 18.462 19.000 -0.018 0.000 0.801 335 A HN 0.762 nan 8.150 nan 0.000 0.452 336 Q N -0.289 119.500 119.800 -0.019 0.000 2.198 336 Q HA 0.364 4.704 4.340 -0.000 0.000 0.209 336 Q C -0.070 175.918 176.000 -0.020 0.000 0.848 336 Q CA 0.197 55.989 55.803 -0.018 0.000 0.974 336 Q CB -0.151 28.576 28.738 -0.017 0.000 1.115 336 Q HN 0.486 nan 8.270 nan 0.000 0.494 337 V N -1.607 118.294 119.914 -0.022 0.000 2.960 337 V HA 0.878 4.998 4.120 -0.000 0.000 0.315 337 V C -0.366 175.712 176.094 -0.027 0.000 1.087 337 V CA -0.421 61.864 62.300 -0.025 0.000 0.982 337 V CB 1.819 33.626 31.823 -0.028 0.000 1.039 337 V HN 0.311 nan 8.190 nan 0.000 0.437 338 S N 0.389 116.071 115.700 -0.029 0.000 2.671 338 S HA 0.666 5.136 4.470 -0.000 0.000 0.299 338 S C -0.367 174.208 174.600 -0.041 0.000 1.116 338 S CA -0.624 57.557 58.200 -0.031 0.000 0.912 338 S CB 1.503 64.688 63.200 -0.024 0.000 1.130 338 S HN 1.261 nan 8.310 nan 0.000 0.501 339 E N 0.876 121.051 120.200 -0.042 0.000 2.652 339 E HA 0.019 4.369 4.350 -0.000 0.000 0.255 339 E C -0.415 176.148 176.600 -0.062 0.000 0.952 339 E CA 0.664 57.030 56.400 -0.056 0.000 0.947 339 E CB 0.278 29.952 29.700 -0.042 0.000 0.912 339 E HN 0.476 nan 8.360 nan 0.000 0.489 340 R N 3.873 124.317 120.500 -0.092 0.000 2.604 340 R HA 0.280 4.620 4.340 -0.000 0.000 0.287 340 R C -0.151 176.082 176.300 -0.112 0.000 0.970 340 R CA -0.862 55.183 56.100 -0.093 0.000 0.946 340 R CB 1.247 31.482 30.300 -0.107 0.000 1.127 340 R HN 0.665 nan 8.270 nan 0.000 0.473 341 E N 0.805 120.960 120.200 -0.074 0.000 2.390 341 E HA 0.005 4.355 4.350 -0.000 0.000 0.261 341 E C -0.036 176.509 176.600 -0.091 0.000 1.076 341 E CA -0.084 56.280 56.400 -0.059 0.000 0.905 341 E CB 0.861 30.552 29.700 -0.016 0.000 0.984 341 E HN 0.374 nan 8.360 nan 0.000 0.427 342 S N 0.996 116.660 115.700 -0.060 0.000 2.550 342 S HA -0.005 4.465 4.470 -0.000 0.000 0.285 342 S C -0.101 174.530 174.600 0.050 0.000 1.326 342 S CA 0.220 58.415 58.200 -0.009 0.000 1.037 342 S CB 0.220 63.505 63.200 0.141 0.000 0.838 342 S HN 0.561 nan 8.310 nan 0.000 0.519 343 T N 1.730 116.359 114.554 0.125 0.000 2.916 343 T HA 0.585 4.935 4.350 -0.000 0.000 0.292 343 T C -2.375 172.417 174.700 0.153 0.000 1.064 343 T CA -1.752 60.438 62.100 0.150 0.000 1.011 343 T CB 1.301 70.279 68.868 0.183 0.000 1.152 343 T HN 0.323 nan 8.240 nan 0.000 0.510 344 P HA -0.079 nan 4.420 nan 0.000 0.215 344 P C 1.308 178.681 177.300 0.122 0.000 1.153 344 P CA 0.869 64.052 63.100 0.140 0.000 0.853 344 P CB -0.043 31.797 31.700 0.233 0.000 0.788 345 W N -0.518 120.807 121.300 0.041 0.000 2.355 345 W HA -0.184 4.476 4.660 0.000 0.000 0.309 345 W C 2.010 178.554 176.519 0.042 0.000 1.206 345 W CA 0.970 58.343 57.345 0.046 0.000 1.284 345 W CB -1.008 28.497 29.460 0.075 0.000 1.145 345 W HN 0.075 nan 8.180 nan 0.000 0.502 346 W N 1.782 123.006 121.300 -0.127 0.000 2.333 346 W HA -0.264 4.396 4.660 -0.000 0.000 0.316 346 W C 2.154 178.436 176.519 -0.396 0.000 1.215 346 W CA 1.675 58.862 57.345 -0.264 0.000 1.278 346 W CB -0.498 28.899 29.460 -0.105 0.000 1.154 346 W HN -0.004 nan 8.180 nan 0.000 0.486 347 Q N 0.465 119.989 119.800 -0.461 0.000 2.119 347 Q HA -0.134 4.206 4.340 -0.000 0.000 0.201 347 Q C 2.448 177.920 176.000 -0.881 0.000 0.972 347 Q CA 1.874 57.148 55.803 -0.883 0.000 0.847 347 Q CB -1.166 26.736 28.738 -1.392 0.000 0.903 347 Q HN 0.413 nan 8.270 nan 0.000 0.433 348 A N 1.713 124.136 122.820 -0.662 0.000 1.902 348 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 348 A C 1.938 179.293 177.584 -0.380 0.000 1.181 348 A CA 1.512 53.409 52.037 -0.233 0.000 0.623 348 A CB -0.483 18.515 19.000 -0.005 0.000 0.818 348 A HN 0.340 nan 8.150 nan 0.000 0.443 349 N N -0.023 118.323 118.700 -0.590 0.000 2.142 349 N HA -0.065 4.675 4.740 -0.000 0.000 0.186 349 N C 1.763 176.914 175.510 -0.598 0.000 1.023 349 N CA 1.288 53.962 53.050 -0.627 0.000 0.852 349 N CB -0.326 37.696 38.487 -0.775 0.000 0.998 349 N HN 0.480 nan 8.380 nan 0.000 0.424 350 L N 1.002 121.800 121.223 -0.708 0.000 2.042 350 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 350 L C 2.537 179.101 176.870 -0.510 0.000 1.076 350 L CA 1.120 55.562 54.840 -0.664 0.000 0.749 350 L CB -0.487 41.104 42.059 -0.780 0.000 0.893 350 L HN 0.124 nan 8.230 nan 0.000 0.432 351 A N 0.029 122.531 122.820 -0.530 0.000 1.898 351 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 351 A C 2.054 179.106 177.584 -0.888 0.000 1.181 351 A CA 2.051 53.709 52.037 -0.630 0.000 0.620 351 A CB -0.661 17.976 19.000 -0.605 0.000 0.819 351 A HN 0.442 nan 8.150 nan 0.000 0.442 352 N N 0.128 118.334 118.700 -0.823 0.000 2.120 352 N HA -0.131 4.609 4.740 -0.000 0.000 0.188 352 N C 1.525 176.884 175.510 -0.252 0.000 1.024 352 N CA 1.750 54.500 53.050 -0.500 0.000 0.852 352 N CB -0.394 37.943 38.487 -0.251 0.000 1.003 352 N HN 0.160 nan 8.380 nan 0.000 0.424 353 V N 1.032 120.782 119.914 -0.273 0.000 2.287 353 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 353 V C 2.249 178.306 176.094 -0.062 0.000 1.053 353 V CA 1.637 63.854 62.300 -0.138 0.000 1.027 353 V CB -0.449 31.244 31.823 -0.218 0.000 0.646 353 V HN 0.369 nan 8.190 nan 0.000 0.447 354 K N 0.115 120.418 120.400 -0.162 0.000 2.032 354 K HA -0.237 4.083 4.320 -0.000 0.000 0.209 354 K C 2.193 178.765 176.600 -0.046 0.000 1.048 354 K CA 1.768 57.986 56.287 -0.115 0.000 0.927 354 K CB -0.452 31.955 32.500 -0.155 0.000 0.712 354 K HN 0.520 nan 8.250 nan 0.000 0.441 355 N N 0.556 119.228 118.700 -0.046 0.000 2.104 355 N HA -0.216 4.524 4.740 -0.000 0.000 0.190 355 N C 1.721 177.326 175.510 0.159 0.000 1.024 355 N CA 1.193 54.286 53.050 0.072 0.000 0.853 355 N CB -0.129 38.447 38.487 0.148 0.000 1.008 355 N HN 0.423 nan 8.380 nan 0.000 0.424 356 W N 2.001 123.280 121.300 -0.035 0.000 2.355 356 W HA -0.116 4.544 4.660 0.000 0.000 0.309 356 W C 1.925 178.464 176.519 0.034 0.000 1.206 356 W CA 0.824 58.170 57.345 0.002 0.000 1.284 356 W CB -0.161 29.261 29.460 -0.062 0.000 1.145 356 W HN 0.107 nan 8.180 nan 0.000 0.502 357 R N 0.281 120.746 120.500 -0.058 0.000 2.120 357 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 357 R C 2.482 178.674 176.300 -0.180 0.000 1.123 357 R CA 1.424 57.406 56.100 -0.197 0.000 0.975 357 R CB -0.819 29.434 30.300 -0.078 0.000 0.866 357 R HN 0.154 nan 8.270 nan 0.000 0.446 358 A N 0.711 123.479 122.820 -0.086 0.000 1.933 358 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 358 A C 1.965 179.500 177.584 -0.082 0.000 1.175 358 A CA 1.160 53.157 52.037 -0.066 0.000 0.628 358 A CB -0.672 18.320 19.000 -0.012 0.000 0.814 358 A HN 0.447 nan 8.150 nan 0.000 0.444 359 Y N 0.735 120.912 120.300 -0.206 0.000 2.097 359 Y HA -0.206 4.344 4.550 0.000 0.000 0.282 359 Y C 1.933 177.613 175.900 -0.366 0.000 1.152 359 Y CA 1.977 59.923 58.100 -0.257 0.000 1.136 359 Y CB -0.449 37.857 38.460 -0.256 0.000 0.975 359 Y HN 0.215 nan 8.280 nan 0.000 0.498 360 L N -0.132 120.688 121.223 -0.672 0.000 2.046 360 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 360 L C 2.825 179.460 176.870 -0.391 0.000 1.077 360 L CA 1.199 55.623 54.840 -0.693 0.000 0.747 360 L CB -1.145 40.490 42.059 -0.708 0.000 0.896 360 L HN 0.358 nan 8.230 nan 0.000 0.432 361 A N 0.397 123.046 122.820 -0.286 0.000 1.940 361 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 361 A C 2.553 180.022 177.584 -0.191 0.000 1.176 361 A CA 2.117 54.044 52.037 -0.184 0.000 0.631 361 A CB -0.748 18.171 19.000 -0.134 0.000 0.814 361 A HN 0.546 nan 8.150 nan 0.000 0.446 362 S N 0.020 115.583 115.700 -0.229 0.000 2.382 362 S HA -0.116 4.354 4.470 -0.000 0.000 0.228 362 S C 1.878 176.340 174.600 -0.230 0.000 1.027 362 S CA 1.509 59.593 58.200 -0.194 0.000 0.991 362 S CB -0.716 62.387 63.200 -0.161 0.000 0.823 362 S HN 0.469 nan 8.310 nan 0.000 0.469 363 L N 1.018 122.019 121.223 -0.370 0.000 2.044 363 L HA -0.010 4.330 4.340 -0.000 0.000 0.205 363 L C 2.951 179.715 176.870 -0.177 0.000 1.075 363 L CA 1.621 56.249 54.840 -0.352 0.000 0.747 363 L CB -0.644 40.968 42.059 -0.746 0.000 0.903 363 L HN 0.358 nan 8.230 nan 0.000 0.435 364 E N 0.087 120.175 120.200 -0.186 0.000 2.153 364 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 364 E C 1.111 177.641 176.600 -0.116 0.000 0.988 364 E CA 1.145 57.456 56.400 -0.149 0.000 0.811 364 E CB 0.001 29.623 29.700 -0.130 0.000 0.746 364 E HN 0.429 nan 8.360 nan 0.000 0.466 365 D N 0.600 120.935 120.400 -0.109 0.000 2.340 365 D HA 0.022 4.662 4.640 -0.000 0.000 0.220 365 D C -0.159 176.100 176.300 -0.069 0.000 1.039 365 D CA 0.303 54.252 54.000 -0.085 0.000 0.866 365 D CB 0.114 40.867 40.800 -0.080 0.000 0.913 365 D HN 0.051 nan 8.370 nan 0.000 0.523 366 K N 0.790 121.150 120.400 -0.066 0.000 2.485 366 K HA 0.031 4.351 4.320 -0.000 0.000 0.277 366 K C 1.143 177.715 176.600 -0.047 0.000 0.990 366 K CA 0.274 56.532 56.287 -0.048 0.000 0.994 366 K CB 0.878 33.357 32.500 -0.034 0.000 0.906 366 K HN -0.066 nan 8.250 nan 0.000 0.488 367 Q N 1.255 121.032 119.800 -0.038 0.000 2.353 367 Q HA 0.022 4.362 4.340 -0.000 0.000 0.240 367 Q C -0.086 175.897 176.000 -0.029 0.000 0.868 367 Q CA 0.737 56.519 55.803 -0.036 0.000 0.944 367 Q CB 0.895 29.614 28.738 -0.031 0.000 1.104 367 Q HN 0.785 nan 8.270 nan 0.000 0.531 368 E N -1.449 118.736 120.200 -0.025 0.000 2.413 368 E HA 0.631 4.981 4.350 -0.000 0.000 0.277 368 E C -0.203 176.387 176.600 -0.017 0.000 0.958 368 E CA -0.661 55.727 56.400 -0.019 0.000 0.779 368 E CB 2.146 31.837 29.700 -0.015 0.000 1.278 368 E HN 0.010 nan 8.360 nan 0.000 0.456 369 G N 0.575 109.366 108.800 -0.015 0.000 2.362 369 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.517 369 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.517 369 G C -3.012 171.879 174.900 -0.015 0.000 1.256 369 G CA -0.680 44.412 45.100 -0.013 0.000 1.027 369 G HN 0.524 nan 8.290 nan 0.000 0.491 370 P HA 0.420 nan 4.420 nan 0.000 0.267 370 P C 0.062 177.346 177.300 -0.027 0.000 1.205 370 P CA -0.388 62.701 63.100 -0.019 0.000 0.765 370 P CB 0.798 32.488 31.700 -0.018 0.000 0.828 371 L N 4.270 125.473 121.223 -0.033 0.000 2.455 371 L HA 0.100 4.440 4.340 -0.000 0.000 0.272 371 L C 0.119 176.946 176.870 -0.072 0.000 1.174 371 L CA 0.855 55.666 54.840 -0.048 0.000 0.869 371 L CB -0.254 41.779 42.059 -0.045 0.000 1.130 371 L HN 0.380 nan 8.230 nan 0.000 0.474 372 Q N 3.138 122.877 119.800 -0.103 0.000 2.359 372 Q HA 0.551 4.891 4.340 -0.000 0.000 0.275 372 Q C 0.903 176.757 176.000 -0.242 0.000 1.082 372 Q CA -0.268 55.408 55.803 -0.210 0.000 0.849 372 Q CB 1.619 30.196 28.738 -0.269 0.000 1.377 372 Q HN 0.807 nan 8.270 nan 0.000 0.452 373 A N 0.577 123.199 122.820 -0.331 0.000 1.986 373 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 373 A C 1.363 178.854 177.584 -0.155 0.000 1.171 373 A CA 1.743 53.725 52.037 -0.092 0.000 0.640 373 A CB -0.702 18.229 19.000 -0.114 0.000 0.811 373 A HN 0.762 nan 8.150 nan 0.000 0.451 374 Y N -0.101 120.113 120.300 -0.143 0.000 2.181 374 Y HA -0.184 4.366 4.550 -0.000 0.000 0.288 374 Y C 2.575 178.230 175.900 -0.409 0.000 1.146 374 Y CA 1.520 59.341 58.100 -0.466 0.000 1.164 374 Y CB -1.035 37.198 38.460 -0.378 0.000 0.982 374 Y HN 0.371 nan 8.280 nan 0.000 0.515 375 Q N -0.237 119.497 119.800 -0.110 0.000 2.187 375 Q HA -0.053 4.287 4.340 -0.000 0.000 0.199 375 Q C 2.382 178.258 176.000 -0.206 0.000 0.957 375 Q CA 1.129 56.844 55.803 -0.148 0.000 0.857 375 Q CB -0.582 28.093 28.738 -0.107 0.000 0.929 375 Q HN 0.321 nan 8.270 nan 0.000 0.453 376 V N 0.696 120.512 119.914 -0.164 0.000 2.287 376 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 376 V C 2.031 178.001 176.094 -0.207 0.000 1.053 376 V CA 1.704 63.886 62.300 -0.196 0.000 1.027 376 V CB -0.554 31.175 31.823 -0.157 0.000 0.646 376 V HN 0.342 nan 8.190 nan 0.000 0.447 377 L N -0.411 120.763 121.223 -0.082 0.000 2.141 377 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 377 L C 2.776 179.537 176.870 -0.182 0.000 1.094 377 L CA 1.310 56.100 54.840 -0.083 0.000 0.763 377 L CB -0.635 41.397 42.059 -0.046 0.000 0.908 377 L HN 0.261 nan 8.230 nan 0.000 0.437 378 R N 0.952 121.315 120.500 -0.228 0.000 2.081 378 R HA -0.178 4.162 4.340 -0.000 0.000 0.235 378 R C 2.138 178.279 176.300 -0.265 0.000 1.131 378 R CA 1.751 57.728 56.100 -0.205 0.000 0.960 378 R CB -0.301 29.887 30.300 -0.186 0.000 0.856 378 R HN 0.337 nan 8.270 nan 0.000 0.436 379 A N 0.468 123.027 122.820 -0.435 0.000 1.930 379 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 379 A C 2.442 179.635 177.584 -0.651 0.000 1.175 379 A CA 1.449 53.067 52.037 -0.698 0.000 0.627 379 A CB -0.515 17.709 19.000 -1.293 0.000 0.815 379 A HN 0.198 nan 8.150 nan 0.000 0.443 380 V N 1.118 120.725 119.914 -0.510 0.000 2.255 380 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 380 V C 2.337 178.356 176.094 -0.125 0.000 1.051 380 V CA 2.236 64.425 62.300 -0.185 0.000 1.018 380 V CB -1.004 30.704 31.823 -0.191 0.000 0.641 380 V HN 0.561 nan 8.190 nan 0.000 0.445 381 N N 0.234 118.854 118.700 -0.133 0.000 2.094 381 N HA -0.172 4.568 4.740 -0.000 0.000 0.191 381 N C 1.764 177.263 175.510 -0.019 0.000 1.023 381 N CA 1.231 54.243 53.050 -0.062 0.000 0.857 381 N CB -0.352 38.093 38.487 -0.071 0.000 1.013 381 N HN 0.416 nan 8.380 nan 0.000 0.426 382 K N 0.915 121.284 120.400 -0.052 0.000 2.211 382 K HA -0.019 4.301 4.320 -0.000 0.000 0.203 382 K C 1.893 178.519 176.600 0.044 0.000 1.050 382 K CA 0.617 56.892 56.287 -0.020 0.000 0.945 382 K CB -0.094 32.369 32.500 -0.062 0.000 0.732 382 K HN 0.493 nan 8.250 nan 0.000 0.451 383 I N -2.754 117.880 120.570 0.106 0.000 3.956 383 I HA 0.258 4.428 4.170 -0.000 0.000 0.333 383 I C 0.566 176.835 176.117 0.253 0.000 1.302 383 I CA -0.433 60.980 61.300 0.188 0.000 1.122 383 I CB 0.291 38.457 38.000 0.277 0.000 1.013 383 I HN -0.265 nan 8.210 nan 0.000 0.405 384 A N 1.969 124.935 122.820 0.244 0.000 2.409 384 A HA 0.324 4.644 4.320 -0.000 0.000 0.262 384 A C 0.178 177.877 177.584 0.192 0.000 1.113 384 A CA -0.187 52.033 52.037 0.304 0.000 0.790 384 A CB 0.052 19.202 19.000 0.250 0.000 1.046 384 A HN 0.500 nan 8.150 nan 0.000 0.496 385 E N 2.693 122.997 120.200 0.174 0.000 2.373 385 E HA 0.151 4.501 4.350 -0.000 0.000 0.263 385 E C -1.548 175.113 176.600 0.102 0.000 1.073 385 E CA -1.608 54.853 56.400 0.101 0.000 0.894 385 E CB 0.396 30.131 29.700 0.058 0.000 1.008 385 E HN 0.444 nan 8.360 nan 0.000 0.420 386 P HA -0.145 nan 4.420 nan 0.000 0.222 386 P C 0.129 177.470 177.300 0.069 0.000 1.147 386 P CA 1.203 64.345 63.100 0.070 0.000 0.790 386 P CB 0.119 31.848 31.700 0.048 0.000 0.780 387 D N -1.808 118.622 120.400 0.050 0.000 2.559 387 D HA 0.243 4.883 4.640 -0.000 0.000 0.234 387 D C 0.263 176.564 176.300 0.001 0.000 1.226 387 D CA -0.741 53.275 54.000 0.025 0.000 0.830 387 D CB -0.645 40.157 40.800 0.003 0.000 1.028 387 D HN -0.037 nan 8.370 nan 0.000 0.492 388 A N 0.555 123.394 122.820 0.032 0.000 2.466 388 A HA 0.408 4.728 4.320 -0.000 0.000 0.238 388 A C 0.214 177.722 177.584 -0.126 0.000 1.074 388 A CA -0.035 51.969 52.037 -0.056 0.000 0.774 388 A CB 0.175 19.161 19.000 -0.023 0.000 1.015 388 A HN 0.393 nan 8.150 nan 0.000 0.498 389 I N 0.804 121.250 120.570 -0.207 0.000 2.441 389 I HA 0.350 4.520 4.170 -0.000 0.000 0.295 389 I C -1.293 174.718 176.117 -0.176 0.000 0.994 389 I CA -0.322 60.909 61.300 -0.115 0.000 1.144 389 I CB 1.547 39.488 38.000 -0.098 0.000 1.314 389 I HN 0.601 nan 8.210 nan 0.000 0.445 390 Y N 3.808 124.222 120.300 0.190 0.000 2.328 390 Y HA 0.336 4.886 4.550 0.000 0.000 0.333 390 Y C 0.393 176.400 175.900 0.177 0.000 0.958 390 Y CA -0.653 57.579 58.100 0.220 0.000 1.167 390 Y CB 1.928 40.492 38.460 0.174 0.000 1.151 390 Y HN 0.402 nan 8.280 nan 0.000 0.470 391 S N 5.099 120.962 115.700 0.272 0.000 2.422 391 S HA 0.648 5.118 4.470 -0.000 0.000 0.298 391 S C -0.684 174.037 174.600 0.201 0.000 1.118 391 S CA -0.398 57.917 58.200 0.193 0.000 1.083 391 S CB -0.287 62.990 63.200 0.129 0.000 0.971 391 S HN 0.571 nan 8.310 nan 0.000 0.478 392 I N 4.315 124.991 120.570 0.177 0.000 2.433 392 I HA 0.354 4.524 4.170 -0.000 0.000 0.292 392 I C 0.660 176.830 176.117 0.088 0.000 1.001 392 I CA -0.801 60.587 61.300 0.147 0.000 1.119 392 I CB 1.651 39.761 38.000 0.183 0.000 1.289 392 I HN 0.605 nan 8.210 nan 0.000 0.438 393 D N 3.910 124.337 120.400 0.045 0.000 2.376 393 D HA 0.345 4.985 4.640 -0.000 0.000 0.281 393 D C -0.873 175.402 176.300 -0.042 0.000 1.215 393 D CA 0.039 54.043 54.000 0.007 0.000 1.062 393 D CB 1.495 42.296 40.800 0.002 0.000 1.124 393 D HN 0.100 nan 8.370 nan 0.000 0.550 394 V N -0.269 119.594 119.914 -0.085 0.000 2.531 394 V HA 0.668 4.788 4.120 -0.000 0.000 0.301 394 V C 0.711 176.643 176.094 -0.270 0.000 1.034 394 V CA 0.265 62.458 62.300 -0.179 0.000 0.865 394 V CB 0.852 32.592 31.823 -0.138 0.000 0.995 394 V HN 0.902 nan 8.190 nan 0.000 0.424 395 G N 3.752 112.233 108.800 -0.532 0.000 2.288 395 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.227 395 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.227 395 G C -0.039 174.484 174.900 -0.627 0.000 1.339 395 G CA 0.062 44.804 45.100 -0.597 0.000 1.057 395 G HN 0.426 nan 8.290 nan 0.000 0.470 396 D N -0.345 120.003 120.400 -0.087 0.000 2.190 396 D HA -0.098 4.542 4.640 -0.000 0.000 0.200 396 D C 2.374 178.574 176.300 -0.166 0.000 0.992 396 D CA 1.330 55.372 54.000 0.070 0.000 0.854 396 D CB -0.017 40.859 40.800 0.127 0.000 0.936 396 D HN 0.294 nan 8.370 nan 0.000 0.462 397 I N 1.323 121.718 120.570 -0.291 0.000 2.335 397 I HA -0.273 3.897 4.170 -0.000 0.000 0.251 397 I C 1.327 177.273 176.117 -0.284 0.000 1.129 397 I CA 1.329 62.399 61.300 -0.384 0.000 1.402 397 I CB -0.332 37.418 38.000 -0.416 0.000 1.069 397 I HN -0.039 nan 8.210 nan 0.000 0.424 398 N N 0.190 118.691 118.700 -0.331 0.000 2.084 398 N HA -0.203 4.537 4.740 -0.000 0.000 0.190 398 N C 1.921 177.177 175.510 -0.423 0.000 1.030 398 N CA 1.701 54.522 53.050 -0.382 0.000 0.849 398 N CB -0.411 37.766 38.487 -0.517 0.000 1.012 398 N HN 0.448 nan 8.380 nan 0.000 0.423 399 L N 0.771 121.829 121.223 -0.275 0.000 2.027 399 L HA -0.128 4.212 4.340 -0.000 0.000 0.206 399 L C 1.568 178.419 176.870 -0.032 0.000 1.074 399 L CA 1.410 56.205 54.840 -0.076 0.000 0.745 399 L CB -0.223 41.953 42.059 0.194 0.000 0.898 399 L HN 0.196 nan 8.230 nan 0.000 0.433 400 N N 0.442 119.133 118.700 -0.015 0.000 2.142 400 N HA -0.136 4.604 4.740 -0.000 0.000 0.186 400 N C 1.821 177.365 175.510 0.057 0.000 1.023 400 N CA 1.509 54.611 53.050 0.086 0.000 0.852 400 N CB -0.390 38.120 38.487 0.038 0.000 0.998 400 N HN 0.511 nan 8.380 nan 0.000 0.424 401 A N 1.222 124.001 122.820 -0.068 0.000 1.898 401 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 401 A C 2.144 179.690 177.584 -0.064 0.000 1.181 401 A CA 1.637 53.628 52.037 -0.076 0.000 0.620 401 A CB -0.777 18.168 19.000 -0.091 0.000 0.819 401 A HN 0.326 nan 8.150 nan 0.000 0.442 402 N N -0.312 118.358 118.700 -0.049 0.000 2.149 402 N HA -0.163 4.577 4.740 -0.000 0.000 0.188 402 N C 1.839 177.356 175.510 0.011 0.000 1.019 402 N CA 1.831 54.890 53.050 0.014 0.000 0.857 402 N CB -0.235 38.219 38.487 -0.056 0.000 0.997 402 N HN 0.533 nan 8.380 nan 0.000 0.426 403 R N -1.519 118.951 120.500 -0.050 0.000 2.075 403 R HA 0.050 4.390 4.340 -0.000 0.000 0.226 403 R C 1.647 177.771 176.300 -0.293 0.000 1.114 403 R CA 1.087 57.092 56.100 -0.159 0.000 0.972 403 R CB -0.178 29.938 30.300 -0.307 0.000 0.869 403 R HN 0.467 nan 8.270 nan 0.000 0.437 404 H N -0.061 118.980 119.070 -0.049 0.000 2.516 404 H HA 0.180 4.736 4.556 0.000 0.000 0.284 404 H C 0.641 175.898 175.328 -0.118 0.000 0.999 404 H CA 0.075 56.071 56.048 -0.087 0.000 1.303 404 H CB 0.248 29.969 29.762 -0.069 0.000 1.452 404 H HN 0.006 nan 8.280 nan 0.000 0.530 405 L N 2.388 123.573 121.223 -0.062 0.000 2.490 405 L HA 0.003 4.343 4.340 -0.000 0.000 0.274 405 L C 0.359 177.146 176.870 -0.138 0.000 1.201 405 L CA 0.497 55.220 54.840 -0.195 0.000 0.869 405 L CB 0.461 42.261 42.059 -0.432 0.000 1.123 405 L HN -0.083 nan 8.230 nan 0.000 0.484 406 K N 5.626 125.960 120.400 -0.111 0.000 2.290 406 K HA 0.453 4.773 4.320 -0.000 0.000 0.250 406 K C -0.795 175.778 176.600 -0.045 0.000 1.092 406 K CA -0.195 56.060 56.287 -0.054 0.000 1.006 406 K CB 0.569 33.054 32.500 -0.024 0.000 1.549 406 K HN 0.439 nan 8.250 nan 0.000 0.436 407 L N 1.538 122.724 121.223 -0.063 0.000 2.360 407 L HA 0.497 4.837 4.340 -0.000 0.000 0.271 407 L C 0.716 177.580 176.870 -0.010 0.000 1.057 407 L CA -0.665 54.154 54.840 -0.035 0.000 0.803 407 L CB 1.597 43.607 42.059 -0.081 0.000 1.207 407 L HN 0.556 nan 8.230 nan 0.000 0.445 408 T N -2.703 111.863 114.554 0.021 0.000 2.864 408 T HA 0.412 4.762 4.350 -0.000 0.000 0.289 408 T C -2.396 172.319 174.700 0.025 0.000 1.082 408 T CA -1.845 60.264 62.100 0.014 0.000 1.009 408 T CB 1.866 70.747 68.868 0.021 0.000 1.234 408 T HN 0.215 nan 8.240 nan 0.000 0.526 409 P HA -0.038 nan 4.420 nan 0.000 0.222 409 P C 1.344 178.658 177.300 0.023 0.000 1.142 409 P CA 0.936 64.044 63.100 0.013 0.000 0.788 409 P CB -0.084 31.612 31.700 -0.006 0.000 0.767 410 S N -1.734 113.983 115.700 0.028 0.000 2.489 410 S HA 0.001 4.471 4.470 -0.000 0.000 0.228 410 S C 0.837 175.457 174.600 0.033 0.000 0.995 410 S CA 0.410 58.626 58.200 0.026 0.000 0.934 410 S CB -0.739 62.478 63.200 0.029 0.000 0.771 410 S HN 0.344 nan 8.310 nan 0.000 0.522 411 N N 1.046 119.788 118.700 0.069 0.000 2.463 411 N HA 0.351 5.091 4.740 -0.000 0.000 0.270 411 N C -0.180 175.391 175.510 0.102 0.000 1.205 411 N CA -0.332 52.788 53.050 0.117 0.000 0.974 411 N CB 0.548 39.162 38.487 0.210 0.000 1.197 411 N HN -0.044 nan 8.380 nan 0.000 0.504 412 R N 0.622 121.194 120.500 0.119 0.000 2.750 412 R HA 0.381 4.721 4.340 -0.000 0.000 0.281 412 R C -1.114 175.359 176.300 0.288 0.000 0.972 412 R CA -0.806 55.367 56.100 0.122 0.000 0.912 412 R CB 1.157 31.449 30.300 -0.015 0.000 1.187 412 R HN 0.893 nan 8.270 nan 0.000 0.464 413 H N -0.442 118.694 119.070 0.110 0.000 2.806 413 H HA 0.772 5.328 4.556 -0.000 0.000 0.367 413 H C -0.412 174.949 175.328 0.056 0.000 1.136 413 H CA -1.042 55.087 56.048 0.135 0.000 1.178 413 H CB 1.726 31.557 29.762 0.115 0.000 1.718 413 H HN 0.570 nan 8.280 nan 0.000 0.540 414 I N -0.067 120.531 120.570 0.047 0.000 2.769 414 I HA 0.792 4.962 4.170 -0.000 0.000 0.298 414 I C -0.943 175.199 176.117 0.041 0.000 1.128 414 I CA -0.767 60.510 61.300 -0.038 0.000 1.031 414 I CB 2.544 40.544 38.000 -0.000 0.000 1.235 414 I HN 0.781 nan 8.210 nan 0.000 0.423 415 T N 1.411 115.969 114.554 0.006 0.000 2.647 415 T HA 0.348 4.698 4.350 -0.000 0.000 0.295 415 T C -0.916 173.806 174.700 0.038 0.000 1.126 415 T CA -0.441 61.694 62.100 0.058 0.000 1.040 415 T CB 1.917 70.864 68.868 0.131 0.000 1.472 415 T HN 0.745 nan 8.240 nan 0.000 0.500 416 S N 1.776 117.513 115.700 0.062 0.000 2.701 416 S HA 0.205 4.675 4.470 -0.000 0.000 0.317 416 S C 1.039 175.696 174.600 0.095 0.000 1.149 416 S CA -0.572 57.677 58.200 0.081 0.000 1.052 416 S CB -0.801 62.463 63.200 0.107 0.000 1.257 416 S HN 0.538 nan 8.310 nan 0.000 0.532 417 N N 3.577 122.320 118.700 0.071 0.000 2.120 417 N HA -0.066 4.674 4.740 -0.000 0.000 0.188 417 N C 1.189 176.780 175.510 0.134 0.000 1.024 417 N CA 1.130 54.236 53.050 0.093 0.000 0.852 417 N CB -0.199 38.310 38.487 0.037 0.000 1.003 417 N HN 0.582 nan 8.380 nan 0.000 0.424 418 L N -1.877 119.425 121.223 0.132 0.000 2.663 418 L HA 0.313 4.653 4.340 -0.000 0.000 0.218 418 L C 1.506 178.485 176.870 0.181 0.000 1.043 418 L CA 0.325 55.246 54.840 0.134 0.000 0.876 418 L CB -0.577 41.555 42.059 0.122 0.000 1.263 418 L HN -0.107 nan 8.230 nan 0.000 0.486 419 F N 2.179 122.157 119.950 0.047 0.000 2.234 419 F HA 0.192 4.719 4.527 -0.000 0.000 0.299 419 F C 1.624 177.445 175.800 0.035 0.000 1.087 419 F CA 0.830 58.860 58.000 0.049 0.000 1.340 419 F CB -0.329 38.715 39.000 0.075 0.000 1.031 419 F HN 0.227 nan 8.300 nan 0.000 0.500 420 A N 0.830 123.700 122.820 0.083 0.000 2.687 420 A HA -0.251 4.069 4.320 -0.000 0.000 0.299 420 A C 0.770 178.281 177.584 -0.121 0.000 1.497 420 A CA 0.931 52.957 52.037 -0.018 0.000 0.751 420 A CB -2.669 16.316 19.000 -0.025 0.000 1.048 420 A HN 0.451 nan 8.150 nan 0.000 0.464 421 T N 0.736 115.260 114.554 -0.050 0.000 2.779 421 T HA 0.496 4.846 4.350 -0.000 0.000 0.296 421 T C 0.735 175.414 174.700 -0.034 0.000 0.938 421 T CA 0.000 62.060 62.100 -0.068 0.000 1.119 421 T CB -0.185 68.762 68.868 0.132 0.000 0.891 421 T HN 0.456 nan 8.240 nan 0.000 0.526 422 M N 3.962 123.521 119.600 -0.069 0.000 2.250 422 M HA 0.316 4.796 4.480 -0.000 0.000 0.325 422 M C 1.671 177.956 176.300 -0.025 0.000 1.084 422 M CA 1.342 56.615 55.300 -0.044 0.000 1.161 422 M CB 0.317 32.890 32.600 -0.045 0.000 1.481 422 M HN 0.989 nan 8.290 nan 0.000 0.449 423 G N 0.044 108.835 108.800 -0.015 0.000 2.176 423 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.232 423 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.232 423 G C 0.438 175.328 174.900 -0.017 0.000 0.986 423 G CA 0.283 45.370 45.100 -0.021 0.000 0.643 423 G HN 0.838 nan 8.290 nan 0.000 0.522 424 V N -0.521 119.392 119.914 -0.002 0.000 2.970 424 V HA 0.361 4.481 4.120 -0.000 0.000 0.260 424 V C 2.549 178.651 176.094 0.014 0.000 1.100 424 V CA 1.986 64.290 62.300 0.005 0.000 1.122 424 V CB -0.870 30.967 31.823 0.024 0.000 0.721 424 V HN 0.892 nan 8.190 nan 0.000 0.483 425 G N 1.088 109.902 108.800 0.022 0.000 2.459 425 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 425 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 425 G C 1.488 176.410 174.900 0.037 0.000 1.183 425 G CA 1.454 46.581 45.100 0.045 0.000 0.776 425 G HN 0.530 nan 8.290 nan 0.000 0.552 426 I N 1.834 122.413 120.570 0.015 0.000 2.113 426 I HA -0.111 4.059 4.170 -0.000 0.000 0.238 426 I C 0.086 176.199 176.117 -0.007 0.000 1.070 426 I CA 1.259 62.564 61.300 0.009 0.000 1.332 426 I CB -0.822 37.180 38.000 0.004 0.000 1.044 426 I HN 0.182 nan 8.210 nan 0.000 0.402 427 P HA -0.136 nan 4.420 nan 0.000 0.217 427 P C 1.611 178.878 177.300 -0.055 0.000 1.150 427 P CA 1.977 65.029 63.100 -0.080 0.000 0.832 427 P CB -0.313 31.316 31.700 -0.119 0.000 0.787 428 G N 0.442 109.235 108.800 -0.012 0.000 2.422 428 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 428 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 428 G C 1.768 176.697 174.900 0.048 0.000 1.146 428 G CA 1.020 46.134 45.100 0.023 0.000 0.769 428 G HN 0.375 nan 8.290 nan 0.000 0.547 429 A N 0.527 123.374 122.820 0.045 0.000 1.929 429 A HA 0.188 4.508 4.320 -0.000 0.000 0.216 429 A C 2.360 179.967 177.584 0.037 0.000 1.176 429 A CA 0.895 52.962 52.037 0.050 0.000 0.628 429 A CB -0.257 18.771 19.000 0.048 0.000 0.816 429 A HN 0.352 nan 8.150 nan 0.000 0.444 430 I N 0.003 120.586 120.570 0.022 0.000 2.163 430 I HA -0.333 3.837 4.170 -0.000 0.000 0.243 430 I C 2.986 179.127 176.117 0.040 0.000 1.085 430 I CA 1.286 62.600 61.300 0.023 0.000 1.347 430 I CB -0.331 37.675 38.000 0.010 0.000 1.044 430 I HN 0.358 nan 8.210 nan 0.000 0.408 431 A N 0.574 123.430 122.820 0.060 0.000 1.902 431 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 431 A C 2.540 180.204 177.584 0.133 0.000 1.181 431 A CA 1.852 53.970 52.037 0.135 0.000 0.623 431 A CB -0.890 18.194 19.000 0.139 0.000 0.818 431 A HN 0.446 nan 8.150 nan 0.000 0.443 432 A N -0.206 122.696 122.820 0.136 0.000 1.883 432 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 432 A C 2.093 179.794 177.584 0.196 0.000 1.186 432 A CA 2.420 54.584 52.037 0.211 0.000 0.624 432 A CB -0.414 18.672 19.000 0.145 0.000 0.822 432 A HN 0.419 nan 8.150 nan 0.000 0.444 433 K N -0.064 120.390 120.400 0.089 0.000 2.148 433 K HA 0.076 4.396 4.320 -0.000 0.000 0.204 433 K C 1.720 178.320 176.600 0.001 0.000 1.050 433 K CA 1.086 57.403 56.287 0.049 0.000 0.942 433 K CB -0.559 31.951 32.500 0.016 0.000 0.724 433 K HN 0.479 nan 8.250 nan 0.000 0.446 434 L N 0.606 121.793 121.223 -0.061 0.000 2.046 434 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 434 L C 1.778 178.554 176.870 -0.157 0.000 1.077 434 L CA 1.224 55.943 54.840 -0.202 0.000 0.747 434 L CB -0.410 41.347 42.059 -0.503 0.000 0.896 434 L HN 0.254 nan 8.230 nan 0.000 0.432 435 N N -1.102 117.536 118.700 -0.102 0.000 2.416 435 N HA -0.067 4.673 4.740 -0.000 0.000 0.177 435 N C -0.249 174.906 175.510 -0.592 0.000 1.036 435 N CA 0.888 53.756 53.050 -0.303 0.000 0.901 435 N CB 0.348 38.618 38.487 -0.360 0.000 0.976 435 N HN 0.314 nan 8.380 nan 0.000 0.444 436 Y N -0.329 119.983 120.300 0.020 0.000 2.497 436 Y HA 0.311 4.861 4.550 -0.000 0.000 0.333 436 Y C -1.819 174.076 175.900 -0.009 0.000 1.046 436 Y CA -1.665 56.442 58.100 0.011 0.000 1.160 436 Y CB 1.335 39.804 38.460 0.015 0.000 1.123 436 Y HN -0.050 nan 8.280 nan 0.000 0.638 437 P HA -0.151 nan 4.420 nan 0.000 0.219 437 P C 0.857 178.177 177.300 0.033 0.000 1.146 437 P CA 1.420 64.540 63.100 0.033 0.000 0.808 437 P CB 0.626 32.328 31.700 0.002 0.000 0.779 438 E N -1.128 119.104 120.200 0.053 0.000 2.479 438 E HA 0.098 4.448 4.350 -0.000 0.000 0.193 438 E C 0.695 177.312 176.600 0.029 0.000 1.049 438 E CA 0.156 56.576 56.400 0.033 0.000 0.870 438 E CB -0.081 29.642 29.700 0.038 0.000 0.944 438 E HN 0.221 nan 8.360 nan 0.000 0.492 439 R N 0.637 121.167 120.500 0.050 0.000 2.474 439 R HA 0.270 4.610 4.340 -0.000 0.000 0.295 439 R C -0.028 176.246 176.300 -0.042 0.000 0.980 439 R CA -0.576 55.529 56.100 0.008 0.000 0.934 439 R CB 1.271 31.571 30.300 -0.000 0.000 1.101 439 R HN 0.119 nan 8.270 nan 0.000 0.469 440 Q N 1.919 121.669 119.800 -0.083 0.000 2.337 440 Q HA 0.180 4.520 4.340 -0.000 0.000 0.270 440 Q C -1.111 174.753 176.000 -0.226 0.000 1.002 440 Q CA 0.099 55.798 55.803 -0.174 0.000 0.888 440 Q CB 0.949 29.590 28.738 -0.162 0.000 1.222 440 Q HN 0.284 nan 8.270 nan 0.000 0.400 441 V N 5.425 125.153 119.914 -0.311 0.000 2.531 441 V HA 0.436 4.556 4.120 -0.000 0.000 0.301 441 V C -0.953 174.919 176.094 -0.369 0.000 1.034 441 V CA -0.609 61.549 62.300 -0.238 0.000 0.865 441 V CB 1.287 33.054 31.823 -0.093 0.000 0.995 441 V HN 0.642 nan 8.190 nan 0.000 0.424 442 F N 2.836 122.706 119.950 -0.135 0.000 2.458 442 F HA 0.539 5.066 4.527 0.000 0.000 0.330 442 F C 0.372 176.209 175.800 0.062 0.000 1.082 442 F CA -0.537 57.455 58.000 -0.013 0.000 0.995 442 F CB 1.679 40.707 39.000 0.047 0.000 1.170 442 F HN 0.504 nan 8.300 nan 0.000 0.478 443 N N 3.581 122.442 118.700 0.268 0.000 2.476 443 N HA 0.402 5.142 4.740 -0.000 0.000 0.257 443 N C -1.814 173.852 175.510 0.260 0.000 0.970 443 N CA -0.325 52.851 53.050 0.210 0.000 0.938 443 N CB 0.588 39.143 38.487 0.113 0.000 1.144 443 N HN 0.578 nan 8.380 nan 0.000 0.500 444 L N 2.495 123.882 121.223 0.273 0.000 2.276 444 L HA 0.824 5.164 4.340 -0.000 0.000 0.286 444 L C -0.250 176.730 176.870 0.183 0.000 1.024 444 L CA -0.869 54.154 54.840 0.306 0.000 0.826 444 L CB 1.199 43.425 42.059 0.279 0.000 1.211 444 L HN 0.618 nan 8.230 nan 0.000 0.422 445 A N 2.307 125.260 122.820 0.222 0.000 2.486 445 A HA 0.807 5.127 4.320 -0.000 0.000 0.300 445 A C -0.053 177.617 177.584 0.143 0.000 1.048 445 A CA -0.352 51.743 52.037 0.098 0.000 0.696 445 A CB 1.573 20.590 19.000 0.027 0.000 1.278 445 A HN 0.682 nan 8.150 nan 0.000 0.405 446 G N 0.201 109.036 108.800 0.057 0.000 2.634 446 G HA2 0.385 4.345 3.960 -0.000 0.000 0.255 446 G HA3 0.385 4.345 3.960 -0.000 0.000 0.255 446 G C 0.397 175.342 174.900 0.075 0.000 1.205 446 G CA 0.398 45.560 45.100 0.103 0.000 0.884 446 G HN 0.820 nan 8.290 nan 0.000 0.549 447 D N -0.382 120.097 120.400 0.131 0.000 2.178 447 D HA -0.069 4.571 4.640 -0.000 0.000 0.202 447 D C 2.205 178.645 176.300 0.233 0.000 0.974 447 D CA 1.259 55.352 54.000 0.156 0.000 0.841 447 D CB -0.921 40.068 40.800 0.314 0.000 0.953 447 D HN 0.469 nan 8.370 nan 0.000 0.478 448 G N 0.568 109.544 108.800 0.293 0.000 2.421 448 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.216 448 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.216 448 G C 1.719 176.755 174.900 0.226 0.000 1.171 448 G CA 1.023 46.329 45.100 0.344 0.000 0.775 448 G HN 0.487 nan 8.290 nan 0.000 0.543 449 G N 0.913 109.804 108.800 0.152 0.000 2.394 449 G HA2 0.118 4.078 3.960 -0.000 0.000 0.215 449 G HA3 0.118 4.078 3.960 -0.000 0.000 0.215 449 G C 2.073 176.999 174.900 0.043 0.000 1.165 449 G CA 1.438 46.579 45.100 0.069 0.000 0.784 449 G HN 0.635 nan 8.290 nan 0.000 0.535 450 A N 0.979 123.804 122.820 0.008 0.000 1.908 450 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 450 A C 2.681 180.362 177.584 0.161 0.000 1.181 450 A CA 2.309 54.318 52.037 -0.048 0.000 0.627 450 A CB -0.682 18.055 19.000 -0.439 0.000 0.818 450 A HN 0.304 nan 8.150 nan 0.000 0.445 451 S N -0.489 115.384 115.700 0.289 0.000 2.383 451 S HA -0.178 4.292 4.470 -0.000 0.000 0.229 451 S C 1.951 176.616 174.600 0.107 0.000 1.030 451 S CA 1.793 60.163 58.200 0.283 0.000 1.002 451 S CB -0.396 62.901 63.200 0.162 0.000 0.829 451 S HN 0.595 nan 8.310 nan 0.000 0.467 452 M N 0.869 120.504 119.600 0.059 0.000 2.229 452 M HA -0.070 4.410 4.480 -0.000 0.000 0.264 452 M C 1.562 177.821 176.300 -0.069 0.000 1.063 452 M CA 1.341 56.630 55.300 -0.017 0.000 1.114 452 M CB -0.404 32.178 32.600 -0.031 0.000 1.387 452 M HN 0.414 nan 8.290 nan 0.000 0.420 453 T N -3.341 111.195 114.554 -0.031 0.000 3.200 453 T HA 0.258 4.608 4.350 -0.000 0.000 0.284 453 T C 1.174 175.879 174.700 0.008 0.000 1.009 453 T CA -0.374 61.691 62.100 -0.059 0.000 0.907 453 T CB -0.407 68.419 68.868 -0.070 0.000 1.120 453 T HN 0.419 nan 8.240 nan 0.000 0.534 454 M N 1.306 120.947 119.600 0.068 0.000 2.144 454 M HA -0.203 4.277 4.480 -0.000 0.000 0.260 454 M C 2.298 178.638 176.300 0.065 0.000 1.067 454 M CA 1.916 57.294 55.300 0.130 0.000 1.095 454 M CB -0.792 31.927 32.600 0.198 0.000 1.365 454 M HN 0.234 nan 8.290 nan 0.000 0.406 455 Q N 0.789 120.609 119.800 0.033 0.000 2.226 455 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 455 Q C 0.747 176.764 176.000 0.028 0.000 0.975 455 Q CA 1.976 57.794 55.803 0.025 0.000 0.866 455 Q CB -1.096 27.664 28.738 0.036 0.000 0.915 455 Q HN 0.676 nan 8.270 nan 0.000 0.440 456 D N 0.594 121.011 120.400 0.028 0.000 2.349 456 D HA 0.106 4.746 4.640 -0.000 0.000 0.224 456 D C 1.746 178.064 176.300 0.030 0.000 1.029 456 D CA -0.020 53.998 54.000 0.030 0.000 0.879 456 D CB 0.222 41.033 40.800 0.018 0.000 0.906 456 D HN 0.282 nan 8.370 nan 0.000 0.528 457 L N 0.868 122.109 121.223 0.031 0.000 2.127 457 L HA -0.201 4.139 4.340 -0.000 0.000 0.211 457 L C 2.624 179.499 176.870 0.008 0.000 1.089 457 L CA 0.933 55.789 54.840 0.026 0.000 0.757 457 L CB -0.349 41.733 42.059 0.040 0.000 0.899 457 L HN 0.008 nan 8.230 nan 0.000 0.434 458 A N -0.567 122.255 122.820 0.002 0.000 1.972 458 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 458 A C 2.344 179.927 177.584 -0.002 0.000 1.169 458 A CA 2.213 54.242 52.037 -0.014 0.000 0.635 458 A CB -0.727 18.266 19.000 -0.012 0.000 0.810 458 A HN 0.399 nan 8.150 nan 0.000 0.446 459 T N -0.037 114.544 114.554 0.045 0.000 2.857 459 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 459 T C 2.008 176.793 174.700 0.142 0.000 1.048 459 T CA 1.530 63.707 62.100 0.129 0.000 1.139 459 T CB -0.215 68.741 68.868 0.148 0.000 0.874 459 T HN 0.642 nan 8.240 nan 0.000 0.455 460 Q N 0.418 120.259 119.800 0.068 0.000 2.084 460 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 460 Q C 2.547 178.537 176.000 -0.017 0.000 0.978 460 Q CA 1.170 57.000 55.803 0.045 0.000 0.844 460 Q CB -0.429 28.322 28.738 0.022 0.000 0.898 460 Q HN 0.353 nan 8.270 nan 0.000 0.426 461 V N 0.851 120.726 119.914 -0.064 0.000 2.307 461 V HA -0.302 3.818 4.120 -0.000 0.000 0.245 461 V C 2.302 178.192 176.094 -0.340 0.000 1.045 461 V CA 2.144 64.344 62.300 -0.165 0.000 1.024 461 V CB -0.642 31.121 31.823 -0.101 0.000 0.651 461 V HN 0.394 nan 8.190 nan 0.000 0.449 462 Q N -0.795 118.843 119.800 -0.271 0.000 2.135 462 Q HA -0.207 4.133 4.340 -0.000 0.000 0.204 462 Q C 1.629 177.282 176.000 -0.578 0.000 0.981 462 Q CA 2.037 57.571 55.803 -0.450 0.000 0.856 462 Q CB -0.057 28.385 28.738 -0.493 0.000 0.902 462 Q HN 0.774 nan 8.270 nan 0.000 0.425 463 Y N -0.980 119.266 120.300 -0.091 0.000 2.524 463 Y HA 0.184 4.734 4.550 0.000 0.000 0.266 463 Y C -0.595 175.355 175.900 0.084 0.000 1.180 463 Y CA -0.029 58.076 58.100 0.010 0.000 1.244 463 Y CB 0.113 38.561 38.460 -0.020 0.000 1.125 463 Y HN 0.203 nan 8.280 nan 0.000 0.524 464 H N -0.491 118.612 119.070 0.055 0.000 2.604 464 H HA -0.170 4.386 4.556 -0.000 0.000 0.321 464 H C -0.823 174.533 175.328 0.046 0.000 1.132 464 H CA 0.328 56.400 56.048 0.039 0.000 1.129 464 H CB -1.859 27.918 29.762 0.025 0.000 1.526 464 H HN 0.289 nan 8.280 nan 0.000 0.415 465 L N 1.397 122.681 121.223 0.103 0.000 2.272 465 L HA 0.287 4.627 4.340 -0.000 0.000 0.284 465 L C -1.803 175.086 176.870 0.032 0.000 1.045 465 L CA -1.906 52.974 54.840 0.067 0.000 0.842 465 L CB 1.024 43.118 42.059 0.058 0.000 1.224 465 L HN -0.020 nan 8.230 nan 0.000 0.430 466 P HA 0.041 nan 4.420 nan 0.000 0.231 466 P C -0.136 177.125 177.300 -0.064 0.000 1.756 466 P CA 0.044 63.136 63.100 -0.014 0.000 0.990 466 P CB -0.059 31.628 31.700 -0.022 0.000 1.973 467 V N 2.465 122.348 119.914 -0.052 0.000 2.686 467 V HA 0.106 4.226 4.120 -0.000 0.000 0.295 467 V C 0.964 176.994 176.094 -0.106 0.000 1.055 467 V CA -0.194 62.056 62.300 -0.083 0.000 1.050 467 V CB 0.834 32.639 31.823 -0.030 0.000 0.984 467 V HN 0.247 nan 8.190 nan 0.000 0.482 468 I N 5.247 125.699 120.570 -0.196 0.000 2.287 468 I HA 0.259 4.429 4.170 -0.000 0.000 0.290 468 I C 0.201 176.324 176.117 0.009 0.000 1.069 468 I CA -0.081 61.125 61.300 -0.156 0.000 1.237 468 I CB 0.105 37.885 38.000 -0.366 0.000 1.418 468 I HN 0.608 nan 8.210 nan 0.000 0.481 469 N N 6.495 125.209 118.700 0.025 0.000 2.434 469 N HA 0.337 5.077 4.740 -0.000 0.000 0.272 469 N C -0.782 174.763 175.510 0.058 0.000 1.040 469 N CA -0.273 52.813 53.050 0.059 0.000 0.956 469 N CB 2.672 41.172 38.487 0.023 0.000 1.108 469 N HN 0.199 nan 8.380 nan 0.000 0.481 470 V N 2.732 122.715 119.914 0.116 0.000 2.376 470 V HA 0.267 4.387 4.120 -0.000 0.000 0.287 470 V C 0.120 176.229 176.094 0.025 0.000 1.015 470 V CA -0.825 61.505 62.300 0.051 0.000 0.834 470 V CB 1.723 33.642 31.823 0.161 0.000 1.001 470 V HN 0.285 nan 8.190 nan 0.000 0.428 471 V N 5.229 125.070 119.914 -0.122 0.000 2.427 471 V HA 0.463 4.583 4.120 -0.000 0.000 0.286 471 V C -0.482 175.521 176.094 -0.152 0.000 1.034 471 V CA -0.358 61.861 62.300 -0.136 0.000 0.893 471 V CB 1.453 33.026 31.823 -0.416 0.000 0.982 471 V HN 0.681 nan 8.190 nan 0.000 0.452 472 F N 2.328 122.240 119.950 -0.063 0.000 2.351 472 F HA 0.324 4.851 4.527 0.000 0.000 0.362 472 F C 1.023 176.816 175.800 -0.012 0.000 1.131 472 F CA -0.337 57.648 58.000 -0.025 0.000 1.187 472 F CB 0.865 39.851 39.000 -0.023 0.000 1.434 472 F HN 0.348 nan 8.300 nan 0.000 0.553 473 T N 3.021 117.630 114.554 0.091 0.000 2.875 473 T HA 0.083 4.433 4.350 -0.000 0.000 0.307 473 T C 0.987 175.723 174.700 0.060 0.000 1.013 473 T CA -0.426 61.738 62.100 0.107 0.000 0.970 473 T CB -0.096 68.850 68.868 0.129 0.000 0.986 473 T HN 0.504 nan 8.240 nan 0.000 0.536 474 N N 0.344 119.065 118.700 0.036 0.000 2.205 474 N HA 0.047 4.787 4.740 -0.000 0.000 0.201 474 N C 0.519 175.935 175.510 -0.157 0.000 1.128 474 N CA -0.462 52.559 53.050 -0.048 0.000 0.867 474 N CB -0.532 37.925 38.487 -0.049 0.000 0.996 474 N HN 0.550 nan 8.380 nan 0.000 0.503 475 C N 0.475 119.672 119.300 -0.172 0.000 4.356 475 C HA -0.161 4.299 4.460 -0.000 0.000 0.296 475 C C -0.353 173.962 174.990 -1.125 0.000 1.424 475 C CA 0.461 59.221 59.018 -0.430 0.000 2.000 475 C CB -2.936 24.672 27.740 -0.222 0.000 1.262 475 C HN 0.622 nan 8.230 nan 0.000 0.789 476 Q N -2.499 116.679 119.800 -1.036 0.000 2.462 476 Q HA 0.503 4.843 4.340 -0.000 0.000 0.285 476 Q C -1.088 174.619 176.000 -0.488 0.000 1.035 476 Q CA -0.766 54.473 55.803 -0.939 0.000 0.799 476 Q CB 1.306 29.797 28.738 -0.411 0.000 1.452 476 Q HN 0.320 nan 8.270 nan 0.000 0.404 477 Y N 0.922 121.215 120.300 -0.011 0.000 2.632 477 Y HA 0.197 4.747 4.550 0.000 0.000 0.336 477 Y C 1.335 177.283 175.900 0.080 0.000 1.237 477 Y CA -0.197 58.005 58.100 0.170 0.000 1.595 477 Y CB 0.052 38.654 38.460 0.236 0.000 1.508 477 Y HN 0.958 nan 8.280 nan 0.000 0.480 478 G N 2.296 111.203 108.800 0.178 0.000 2.440 478 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 478 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 478 G C 1.617 176.630 174.900 0.188 0.000 1.154 478 G CA 0.211 45.377 45.100 0.109 0.000 0.767 478 G HN 0.776 nan 8.290 nan 0.000 0.552 479 W N 0.823 122.154 121.300 0.052 0.000 2.321 479 W HA -0.163 4.497 4.660 -0.000 0.000 0.306 479 W C 1.999 178.550 176.519 0.052 0.000 1.217 479 W CA 1.066 58.436 57.345 0.041 0.000 1.257 479 W CB 0.031 29.514 29.460 0.038 0.000 1.145 479 W HN 0.135 nan 8.180 nan 0.000 0.509 480 I N 0.524 121.241 120.570 0.246 0.000 2.406 480 I HA -0.197 3.973 4.170 -0.000 0.000 0.249 480 I C 2.258 178.434 176.117 0.098 0.000 1.122 480 I CA 1.281 62.667 61.300 0.144 0.000 1.431 480 I CB -1.599 36.508 38.000 0.180 0.000 1.087 480 I HN -0.020 nan 8.210 nan 0.000 0.424 481 K N 1.369 121.812 120.400 0.071 0.000 2.044 481 K HA -0.235 4.085 4.320 -0.000 0.000 0.210 481 K C 1.616 178.240 176.600 0.041 0.000 1.049 481 K CA 2.043 58.305 56.287 -0.041 0.000 0.927 481 K CB 0.026 32.368 32.500 -0.264 0.000 0.713 481 K HN 0.197 nan 8.250 nan 0.000 0.443 482 D N 0.637 121.031 120.400 -0.009 0.000 2.144 482 D HA -0.150 4.490 4.640 -0.000 0.000 0.199 482 D C 1.759 178.048 176.300 -0.018 0.000 0.984 482 D CA 1.212 55.205 54.000 -0.012 0.000 0.834 482 D CB -0.119 40.622 40.800 -0.097 0.000 0.955 482 D HN 0.427 nan 8.370 nan 0.000 0.465 483 E N 0.590 120.750 120.200 -0.067 0.000 2.051 483 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 483 E C 2.195 178.818 176.600 0.037 0.000 0.991 483 E CA 0.766 57.133 56.400 -0.054 0.000 0.799 483 E CB -0.068 29.590 29.700 -0.070 0.000 0.748 483 E HN 0.367 nan 8.360 nan 0.000 0.449 484 Q N 0.483 120.355 119.800 0.120 0.000 2.124 484 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 484 Q C 2.176 178.259 176.000 0.139 0.000 0.977 484 Q CA 1.147 57.047 55.803 0.161 0.000 0.850 484 Q CB -0.088 28.832 28.738 0.302 0.000 0.901 484 Q HN 0.325 nan 8.270 nan 0.000 0.429 485 E N 0.777 121.140 120.200 0.271 0.000 2.085 485 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 485 E C 1.012 177.645 176.600 0.054 0.000 0.994 485 E CA 1.401 57.909 56.400 0.180 0.000 0.801 485 E CB 0.179 30.046 29.700 0.279 0.000 0.743 485 E HN 0.299 nan 8.360 nan 0.000 0.453 486 D N -0.856 119.570 120.400 0.044 0.000 2.194 486 D HA -0.089 4.551 4.640 -0.000 0.000 0.204 486 D C 1.927 178.225 176.300 -0.004 0.000 0.964 486 D CA 1.865 55.871 54.000 0.010 0.000 0.846 486 D CB 0.040 40.832 40.800 -0.013 0.000 0.962 486 D HN 0.386 nan 8.370 nan 0.000 0.490 487 T N -3.087 111.465 114.554 -0.003 0.000 2.987 487 T HA 0.112 4.462 4.350 -0.000 0.000 0.248 487 T C 0.738 175.427 174.700 -0.017 0.000 0.997 487 T CA -0.415 61.679 62.100 -0.009 0.000 1.013 487 T CB 0.156 69.022 68.868 -0.003 0.000 1.077 487 T HN -0.208 nan 8.240 nan 0.000 0.483 488 N N 2.075 120.760 118.700 -0.024 0.000 2.518 488 N HA 0.361 5.101 4.740 -0.000 0.000 0.283 488 N C 0.892 176.360 175.510 -0.071 0.000 1.119 488 N CA -0.452 52.574 53.050 -0.040 0.000 0.983 488 N CB 1.143 39.610 38.487 -0.035 0.000 1.139 488 N HN 0.140 nan 8.380 nan 0.000 0.465 489 Q N 0.375 120.140 119.800 -0.059 0.000 2.250 489 Q HA 0.155 4.495 4.340 -0.000 0.000 0.200 489 Q C -0.129 175.820 176.000 -0.085 0.000 0.941 489 Q CA 0.975 56.739 55.803 -0.064 0.000 0.872 489 Q CB 0.060 28.773 28.738 -0.042 0.000 0.965 489 Q HN 0.544 nan 8.270 nan 0.000 0.480 490 N N 1.254 119.906 118.700 -0.080 0.000 2.491 490 N HA 0.100 4.840 4.740 -0.000 0.000 0.279 490 N C -0.321 175.108 175.510 -0.135 0.000 1.236 490 N CA -0.402 52.599 53.050 -0.082 0.000 0.982 490 N CB 0.472 38.933 38.487 -0.042 0.000 1.194 490 N HN -0.048 nan 8.380 nan 0.000 0.582 491 D N 0.197 120.530 120.400 -0.112 0.000 2.378 491 D HA 0.061 4.701 4.640 -0.000 0.000 0.238 491 D C 0.214 176.453 176.300 -0.102 0.000 1.180 491 D CA 0.323 54.232 54.000 -0.150 0.000 0.895 491 D CB 0.200 40.974 40.800 -0.044 0.000 1.192 491 D HN 0.176 nan 8.370 nan 0.000 0.438 492 F N 0.739 120.699 119.950 0.016 0.000 2.642 492 F HA 0.049 4.576 4.527 -0.000 0.000 0.371 492 F C 0.999 176.820 175.800 0.035 0.000 1.120 492 F CA 0.426 58.441 58.000 0.025 0.000 1.331 492 F CB -0.082 38.930 39.000 0.019 0.000 1.044 492 F HN 0.111 nan 8.300 nan 0.000 0.594 493 I N 1.257 121.986 120.570 0.264 0.000 2.644 493 I HA 0.484 4.654 4.170 -0.000 0.000 0.291 493 I C 0.321 176.548 176.117 0.184 0.000 1.180 493 I CA -0.100 61.306 61.300 0.177 0.000 1.040 493 I CB 1.706 39.778 38.000 0.120 0.000 1.255 493 I HN 0.683 nan 8.210 nan 0.000 0.422 494 G N 4.345 113.256 108.800 0.184 0.000 2.162 494 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.260 494 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.260 494 G C 0.448 175.557 174.900 0.349 0.000 0.976 494 G CA 0.698 45.942 45.100 0.240 0.000 0.655 494 G HN 1.371 nan 8.290 nan 0.000 0.533 495 V N -3.568 116.487 119.914 0.236 0.000 3.605 495 V HA 0.531 4.651 4.120 -0.000 0.000 0.284 495 V C 0.466 176.495 176.094 -0.109 0.000 1.386 495 V CA 0.772 63.185 62.300 0.189 0.000 1.053 495 V CB 0.380 32.267 31.823 0.107 0.000 0.857 495 V HN 0.349 nan 8.190 nan 0.000 0.436 496 E N 1.396 121.519 120.200 -0.129 0.000 2.210 496 E HA 0.665 5.015 4.350 -0.000 0.000 0.266 496 E C -1.339 175.155 176.600 -0.177 0.000 0.883 496 E CA -0.580 55.626 56.400 -0.325 0.000 0.761 496 E CB 2.375 31.948 29.700 -0.213 0.000 1.156 496 E HN 0.499 nan 8.360 nan 0.000 0.412 497 F N -0.813 119.070 119.950 -0.111 0.000 2.754 497 F HA 0.518 5.045 4.527 -0.000 0.000 0.320 497 F C -0.434 175.324 175.800 -0.070 0.000 1.156 497 F CA -1.608 56.337 58.000 -0.092 0.000 0.950 497 F CB 0.310 39.226 39.000 -0.140 0.000 1.388 497 F HN 0.073 nan 8.300 nan 0.000 0.485 498 N N 0.827 119.706 118.700 0.299 0.000 2.508 498 N HA 0.123 4.863 4.740 -0.000 0.000 0.264 498 N C -1.062 174.573 175.510 0.209 0.000 1.216 498 N CA -0.118 53.031 53.050 0.165 0.000 0.943 498 N CB 0.304 38.843 38.487 0.087 0.000 1.113 498 N HN 0.818 nan 8.380 nan 0.000 0.447 499 D N 0.534 121.000 120.400 0.111 0.000 2.472 499 D HA 0.114 4.754 4.640 -0.000 0.000 0.237 499 D C -0.505 175.826 176.300 0.052 0.000 1.141 499 D CA 0.326 54.384 54.000 0.097 0.000 0.875 499 D CB 0.398 41.227 40.800 0.049 0.000 1.192 499 D HN 0.305 nan 8.370 nan 0.000 0.450 500 I N 2.797 123.395 120.570 0.047 0.000 2.406 500 I HA 0.149 4.319 4.170 -0.000 0.000 0.290 500 I C -0.495 175.567 176.117 -0.092 0.000 0.999 500 I CA -0.882 60.350 61.300 -0.114 0.000 1.124 500 I CB 1.824 39.641 38.000 -0.305 0.000 1.289 500 I HN 0.394 nan 8.210 nan 0.000 0.441 501 D N 6.035 126.361 120.400 -0.123 0.000 2.393 501 D HA 0.134 4.774 4.640 -0.000 0.000 0.232 501 D C 0.599 176.839 176.300 -0.101 0.000 1.192 501 D CA 0.003 53.976 54.000 -0.045 0.000 0.882 501 D CB 0.508 41.287 40.800 -0.035 0.000 1.038 501 D HN 0.297 nan 8.370 nan 0.000 0.499 502 F N 1.471 121.418 119.950 -0.005 0.000 2.407 502 F HA -0.147 4.380 4.527 -0.000 0.000 0.299 502 F C 2.685 178.469 175.800 -0.027 0.000 1.097 502 F CA 0.807 58.800 58.000 -0.012 0.000 1.422 502 F CB 0.027 39.029 39.000 0.002 0.000 1.067 502 F HN 0.391 nan 8.300 nan 0.000 0.539 503 S N -0.103 115.665 115.700 0.113 0.000 2.402 503 S HA -0.174 4.296 4.470 -0.000 0.000 0.229 503 S C 1.876 176.462 174.600 -0.024 0.000 1.021 503 S CA 0.899 59.115 58.200 0.028 0.000 0.974 503 S CB -0.357 62.847 63.200 0.007 0.000 0.800 503 S HN 0.387 nan 8.310 nan 0.000 0.484 504 K N 0.492 120.868 120.400 -0.039 0.000 2.116 504 K HA 0.144 4.464 4.320 -0.000 0.000 0.203 504 K C 1.987 178.533 176.600 -0.091 0.000 1.052 504 K CA 0.931 57.177 56.287 -0.068 0.000 0.952 504 K CB -0.260 32.197 32.500 -0.073 0.000 0.729 504 K HN 0.301 nan 8.250 nan 0.000 0.446 505 I N 1.692 122.193 120.570 -0.116 0.000 2.163 505 I HA -0.265 3.905 4.170 -0.000 0.000 0.243 505 I C 2.531 178.607 176.117 -0.068 0.000 1.085 505 I CA 1.463 62.689 61.300 -0.124 0.000 1.347 505 I CB -1.455 36.426 38.000 -0.199 0.000 1.044 505 I HN 0.103 nan 8.210 nan 0.000 0.408 506 A N 0.533 123.344 122.820 -0.015 0.000 1.883 506 A HA -0.288 4.032 4.320 -0.000 0.000 0.217 506 A C 2.155 179.694 177.584 -0.075 0.000 1.186 506 A CA 2.247 54.270 52.037 -0.022 0.000 0.624 506 A CB -0.852 18.150 19.000 0.003 0.000 0.822 506 A HN 0.436 nan 8.150 nan 0.000 0.444 507 D N -0.436 119.917 120.400 -0.079 0.000 2.123 507 D HA -0.081 4.559 4.640 -0.000 0.000 0.196 507 D C 1.998 178.210 176.300 -0.145 0.000 0.992 507 D CA 1.662 55.614 54.000 -0.080 0.000 0.833 507 D CB -0.617 40.144 40.800 -0.064 0.000 0.954 507 D HN 0.315 nan 8.370 nan 0.000 0.455 508 G N 0.126 108.821 108.800 -0.175 0.000 2.442 508 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.219 508 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.219 508 G C 1.563 176.167 174.900 -0.494 0.000 1.141 508 G CA 1.443 46.387 45.100 -0.260 0.000 0.763 508 G HN 0.423 nan 8.290 nan 0.000 0.554 509 V N -3.612 116.079 119.914 -0.372 0.000 3.596 509 V HA 0.276 4.396 4.120 -0.000 0.000 0.289 509 V C 0.823 176.722 176.094 -0.326 0.000 1.336 509 V CA 0.254 62.338 62.300 -0.361 0.000 1.137 509 V CB -1.064 30.674 31.823 -0.142 0.000 0.966 509 V HN 0.531 nan 8.190 nan 0.000 0.428 510 H N -1.251 117.792 119.070 -0.044 0.000 2.933 510 H HA -0.136 4.420 4.556 -0.000 0.000 0.301 510 H C -0.092 175.203 175.328 -0.056 0.000 1.280 510 H CA 1.184 57.201 56.048 -0.051 0.000 1.155 510 H CB -1.665 28.065 29.762 -0.053 0.000 1.379 510 H HN 0.690 nan 8.280 nan 0.000 0.419 511 M N 1.006 120.606 119.600 0.000 0.000 2.294 511 M HA 0.259 4.739 4.480 -0.000 0.000 0.335 511 M C 0.094 176.368 176.300 -0.044 0.000 1.079 511 M CA -0.519 54.772 55.300 -0.016 0.000 0.982 511 M CB 1.342 33.930 32.600 -0.021 0.000 1.651 511 M HN 0.148 nan 8.290 nan 0.000 0.437 512 Q N 2.443 122.210 119.800 -0.055 0.000 2.349 512 Q HA 0.457 4.797 4.340 -0.000 0.000 0.287 512 Q C -0.790 175.100 176.000 -0.183 0.000 1.044 512 Q CA 0.222 55.944 55.803 -0.135 0.000 0.918 512 Q CB 0.787 29.462 28.738 -0.105 0.000 1.242 512 Q HN 0.735 nan 8.270 nan 0.000 0.405 513 A N 2.288 124.883 122.820 -0.376 0.000 2.610 513 A HA 0.802 5.122 4.320 -0.000 0.000 0.291 513 A C -1.762 175.430 177.584 -0.653 0.000 1.086 513 A CA -0.685 51.162 52.037 -0.318 0.000 0.677 513 A CB 1.212 20.143 19.000 -0.114 0.000 1.278 513 A HN 0.561 nan 8.150 nan 0.000 0.414 514 F N -0.394 119.525 119.950 -0.052 0.000 2.599 514 F HA 0.797 5.324 4.527 -0.000 0.000 0.311 514 F C 0.144 175.919 175.800 -0.041 0.000 1.076 514 F CA -0.490 57.479 58.000 -0.051 0.000 0.937 514 F CB 2.463 41.414 39.000 -0.082 0.000 1.282 514 F HN 0.667 nan 8.300 nan 0.000 0.460 515 R N 1.659 122.253 120.500 0.156 0.000 2.561 515 R HA 0.855 5.195 4.340 -0.000 0.000 0.297 515 R C -1.891 174.459 176.300 0.083 0.000 0.969 515 R CA -0.714 55.442 56.100 0.093 0.000 0.879 515 R CB 1.814 32.151 30.300 0.062 0.000 1.178 515 R HN 0.617 nan 8.270 nan 0.000 0.445 516 V N 2.077 122.021 119.914 0.051 0.000 2.962 516 V HA 0.611 4.731 4.120 -0.000 0.000 0.313 516 V C -0.629 175.474 176.094 0.016 0.000 1.099 516 V CA -0.774 61.548 62.300 0.037 0.000 0.971 516 V CB 2.186 34.032 31.823 0.039 0.000 1.028 516 V HN 1.016 nan 8.190 nan 0.000 0.430 517 N N 0.370 119.076 118.700 0.011 0.000 2.116 517 N HA 0.232 4.972 4.740 -0.000 0.000 0.230 517 N C -0.347 175.159 175.510 -0.008 0.000 1.326 517 N CA -0.476 52.573 53.050 -0.002 0.000 0.867 517 N CB 0.579 39.067 38.487 0.001 0.000 1.174 517 N HN 0.797 nan 8.380 nan 0.000 0.506 518 K N 0.414 120.811 120.400 -0.004 0.000 2.422 518 K HA 0.472 4.792 4.320 -0.000 0.000 0.251 518 K C 0.716 177.308 176.600 -0.013 0.000 0.933 518 K CA -0.734 55.547 56.287 -0.009 0.000 0.798 518 K CB 2.580 35.078 32.500 -0.004 0.000 1.238 518 K HN -0.201 nan 8.250 nan 0.000 0.428 519 I N 1.977 122.534 120.570 -0.022 0.000 2.194 519 I HA -0.346 3.823 4.170 -0.000 0.000 0.246 519 I C 2.319 178.420 176.117 -0.027 0.000 1.093 519 I CA 1.512 62.792 61.300 -0.032 0.000 1.355 519 I CB -0.219 37.759 38.000 -0.036 0.000 1.046 519 I HN 0.737 nan 8.210 nan 0.000 0.413 520 E N 1.435 121.624 120.200 -0.018 0.000 2.333 520 E HA -0.266 4.084 4.350 -0.000 0.000 0.198 520 E C 1.681 178.277 176.600 -0.006 0.000 1.007 520 E CA 1.112 57.503 56.400 -0.014 0.000 0.845 520 E CB -0.460 29.233 29.700 -0.011 0.000 0.766 520 E HN 0.653 nan 8.360 nan 0.000 0.507 521 Q N 0.391 120.192 119.800 0.001 0.000 2.378 521 Q HA 0.104 4.444 4.340 -0.000 0.000 0.205 521 Q C 2.370 178.385 176.000 0.024 0.000 0.954 521 Q CA 0.390 56.200 55.803 0.011 0.000 0.901 521 Q CB -0.014 28.734 28.738 0.018 0.000 0.981 521 Q HN 0.303 nan 8.270 nan 0.000 0.483 522 L N 0.650 121.892 121.223 0.031 0.000 1.994 522 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 522 L C -0.643 176.292 176.870 0.108 0.000 1.071 522 L CA 1.337 56.232 54.840 0.092 0.000 0.745 522 L CB -1.665 40.370 42.059 -0.040 0.000 0.892 522 L HN 0.138 nan 8.230 nan 0.000 0.431 523 P HA -0.166 nan 4.420 nan 0.000 0.215 523 P C 0.865 178.184 177.300 0.032 0.000 1.157 523 P CA 1.500 64.612 63.100 0.020 0.000 0.874 523 P CB -0.022 31.673 31.700 -0.009 0.000 0.790 524 D N -1.188 119.211 120.400 -0.001 0.000 2.144 524 D HA -0.090 4.550 4.640 -0.000 0.000 0.200 524 D C 2.034 178.257 176.300 -0.127 0.000 0.978 524 D CA 0.865 54.841 54.000 -0.039 0.000 0.833 524 D CB -0.850 39.930 40.800 -0.032 0.000 0.961 524 D HN -0.032 nan 8.370 nan 0.000 0.470 525 V N 0.382 120.192 119.914 -0.174 0.000 2.358 525 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 525 V C 2.079 177.879 176.094 -0.490 0.000 1.047 525 V CA 1.201 63.196 62.300 -0.507 0.000 1.035 525 V CB -0.494 31.068 31.823 -0.436 0.000 0.658 525 V HN 0.069 nan 8.190 nan 0.000 0.452 526 F N 0.104 119.908 119.950 -0.243 0.000 2.234 526 F HA -0.091 4.436 4.527 -0.000 0.000 0.299 526 F C 2.521 178.259 175.800 -0.103 0.000 1.087 526 F CA 1.289 59.206 58.000 -0.138 0.000 1.340 526 F CB -0.279 38.684 39.000 -0.062 0.000 1.031 526 F HN 0.125 nan 8.300 nan 0.000 0.500 527 E N 0.252 120.480 120.200 0.048 0.000 2.051 527 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 527 E C 2.177 178.755 176.600 -0.036 0.000 0.991 527 E CA 1.168 57.576 56.400 0.014 0.000 0.799 527 E CB -0.549 29.156 29.700 0.008 0.000 0.748 527 E HN 0.539 nan 8.360 nan 0.000 0.449 528 Q N 0.131 119.859 119.800 -0.119 0.000 2.050 528 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 528 Q C 2.191 178.156 176.000 -0.058 0.000 0.980 528 Q CA 1.508 57.255 55.803 -0.093 0.000 0.840 528 Q CB -0.213 28.423 28.738 -0.169 0.000 0.898 528 Q HN 0.234 nan 8.270 nan 0.000 0.424 529 A N 1.579 124.291 122.820 -0.179 0.000 1.908 529 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 529 A C 2.019 179.576 177.584 -0.045 0.000 1.181 529 A CA 1.725 53.706 52.037 -0.092 0.000 0.627 529 A CB -0.509 18.340 19.000 -0.252 0.000 0.818 529 A HN 0.240 nan 8.150 nan 0.000 0.445 530 K N -0.391 119.993 120.400 -0.025 0.000 2.063 530 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 530 K C 2.115 178.703 176.600 -0.021 0.000 1.048 530 K CA 1.359 57.643 56.287 -0.006 0.000 0.928 530 K CB -0.309 32.218 32.500 0.045 0.000 0.713 530 K HN 0.399 nan 8.250 nan 0.000 0.442 531 A N 1.071 123.889 122.820 -0.003 0.000 1.897 531 A HA -0.064 4.256 4.320 -0.000 0.000 0.215 531 A C 2.059 179.655 177.584 0.019 0.000 1.181 531 A CA 1.146 53.188 52.037 0.008 0.000 0.620 531 A CB -0.451 18.567 19.000 0.030 0.000 0.821 531 A HN 0.311 nan 8.150 nan 0.000 0.443 532 I N 0.113 120.709 120.570 0.043 0.000 2.208 532 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 532 I C 2.600 178.733 176.117 0.027 0.000 1.097 532 I CA 1.199 62.539 61.300 0.067 0.000 1.363 532 I CB -0.197 37.863 38.000 0.100 0.000 1.051 532 I HN 0.322 nan 8.210 nan 0.000 0.413 533 A N -0.101 122.704 122.820 -0.025 0.000 2.255 533 A HA -0.085 4.235 4.320 -0.000 0.000 0.206 533 A C 1.947 179.460 177.584 -0.118 0.000 1.193 533 A CA 0.548 52.543 52.037 -0.070 0.000 0.794 533 A CB -0.305 18.622 19.000 -0.123 0.000 0.794 533 A HN 0.374 nan 8.150 nan 0.000 0.481 534 Q N -0.812 118.890 119.800 -0.163 0.000 2.297 534 Q HA -0.100 4.240 4.340 -0.000 0.000 0.204 534 Q C 0.657 176.329 176.000 -0.547 0.000 0.962 534 Q CA 1.661 57.246 55.803 -0.362 0.000 0.879 534 Q CB -0.176 28.290 28.738 -0.453 0.000 0.947 534 Q HN 0.969 nan 8.270 nan 0.000 0.462 535 H N -1.832 117.241 119.070 0.006 0.000 3.580 535 H HA 0.251 4.807 4.556 -0.000 0.000 0.245 535 H C -0.101 175.252 175.328 0.042 0.000 1.015 535 H CA -0.137 55.922 56.048 0.018 0.000 1.113 535 H CB 1.231 31.003 29.762 0.016 0.000 1.469 535 H HN -0.096 nan 8.280 nan 0.000 0.554 536 E N 0.854 121.134 120.200 0.132 0.000 2.408 536 E HA 0.257 4.607 4.350 -0.000 0.000 0.275 536 E C -2.795 173.831 176.600 0.043 0.000 0.935 536 E CA -2.181 54.281 56.400 0.103 0.000 0.775 536 E CB 2.451 32.216 29.700 0.108 0.000 1.277 536 E HN -0.049 nan 8.360 nan 0.000 0.455 537 P HA 0.166 nan 4.420 nan 0.000 0.270 537 P C -0.455 176.848 177.300 0.005 0.000 1.223 537 P CA -0.231 62.870 63.100 0.001 0.000 0.785 537 P CB 1.008 32.706 31.700 -0.002 0.000 0.923 538 V N 2.350 122.264 119.914 -0.000 0.000 3.087 538 V HA 0.584 4.704 4.120 -0.000 0.000 0.306 538 V C -1.494 174.611 176.094 0.017 0.000 1.187 538 V CA -1.066 61.247 62.300 0.022 0.000 0.999 538 V CB 2.288 34.147 31.823 0.060 0.000 1.049 538 V HN 0.457 nan 8.190 nan 0.000 0.431 539 L N 5.484 126.728 121.223 0.035 0.000 2.410 539 L HA 0.712 5.052 4.340 -0.000 0.000 0.270 539 L C -1.311 175.593 176.870 0.058 0.000 0.983 539 L CA -0.401 54.457 54.840 0.030 0.000 0.822 539 L CB 1.776 43.858 42.059 0.038 0.000 1.285 539 L HN 0.675 nan 8.230 nan 0.000 0.409 540 I N 3.861 124.422 120.570 -0.015 0.000 2.355 540 I HA 0.283 4.453 4.170 -0.000 0.000 0.288 540 I C -0.974 175.110 176.117 -0.055 0.000 0.999 540 I CA -0.463 60.806 61.300 -0.052 0.000 1.163 540 I CB 1.638 39.453 38.000 -0.308 0.000 1.316 540 I HN 0.508 nan 8.210 nan 0.000 0.454 541 D N 6.491 126.894 120.400 0.005 0.000 2.396 541 D HA 0.425 5.065 4.640 -0.000 0.000 0.225 541 D C -0.353 175.932 176.300 -0.025 0.000 1.121 541 D CA -0.173 53.833 54.000 0.009 0.000 0.853 541 D CB 1.336 42.205 40.800 0.115 0.000 1.043 541 D HN 0.569 nan 8.370 nan 0.000 0.500 542 A N 4.158 126.909 122.820 -0.115 0.000 2.294 542 A HA 0.428 4.748 4.320 -0.000 0.000 0.316 542 A C -0.180 177.355 177.584 -0.083 0.000 1.359 542 A CA -0.697 51.261 52.037 -0.131 0.000 0.956 542 A CB 0.590 19.416 19.000 -0.291 0.000 1.155 542 A HN 0.404 nan 8.150 nan 0.000 0.544 543 V N 5.566 125.462 119.914 -0.029 0.000 2.387 543 V HA 0.218 4.338 4.120 -0.000 0.000 0.260 543 V C 0.392 176.472 176.094 -0.024 0.000 1.054 543 V CA 0.297 62.593 62.300 -0.008 0.000 0.967 543 V CB -0.597 31.230 31.823 0.007 0.000 1.036 543 V HN 0.733 nan 8.190 nan 0.000 0.481 544 I N 2.282 122.840 120.570 -0.020 0.000 2.863 544 I HA 0.772 4.942 4.170 -0.000 0.000 0.311 544 I C 0.741 176.834 176.117 -0.040 0.000 1.026 544 I CA -0.612 60.668 61.300 -0.033 0.000 1.077 544 I CB 1.983 39.977 38.000 -0.010 0.000 1.262 544 I HN 0.550 nan 8.210 nan 0.000 0.461 545 T N 0.160 114.679 114.554 -0.057 0.000 2.748 545 T HA 0.282 4.632 4.350 -0.000 0.000 0.304 545 T C 0.976 175.640 174.700 -0.060 0.000 1.041 545 T CA -0.116 61.951 62.100 -0.055 0.000 1.033 545 T CB 0.888 69.725 68.868 -0.052 0.000 0.995 545 T HN 0.940 nan 8.240 nan 0.000 0.536 546 G N 0.013 108.777 108.800 -0.061 0.000 3.383 546 G HA2 0.167 4.127 3.960 -0.000 0.000 0.251 546 G HA3 0.167 4.127 3.960 -0.000 0.000 0.251 546 G C 0.012 174.885 174.900 -0.044 0.000 1.203 546 G CA -0.473 44.585 45.100 -0.069 0.000 0.852 546 G HN 0.757 nan 8.290 nan 0.000 0.531 547 D N 0.735 121.119 120.400 -0.027 0.000 2.458 547 D HA 0.045 4.685 4.640 -0.000 0.000 0.243 547 D C 0.556 176.897 176.300 0.067 0.000 1.146 547 D CA 0.250 54.261 54.000 0.019 0.000 0.877 547 D CB 1.362 42.191 40.800 0.048 0.000 1.176 547 D HN 0.173 nan 8.370 nan 0.000 0.461 548 R N 3.386 123.960 120.500 0.123 0.000 2.389 548 R HA 0.194 4.534 4.340 -0.000 0.000 0.295 548 R C -2.255 174.244 176.300 0.330 0.000 1.075 548 R CA -1.213 55.007 56.100 0.201 0.000 1.005 548 R CB 0.628 31.068 30.300 0.234 0.000 0.987 548 R HN 0.187 nan 8.270 nan 0.000 0.452 549 P HA -0.035 nan 4.420 nan 0.000 0.271 549 P C -0.316 176.999 177.300 0.024 0.000 1.218 549 P CA -0.263 63.005 63.100 0.280 0.000 0.780 549 P CB 0.600 32.463 31.700 0.272 0.000 0.901 550 L N 4.817 125.980 121.223 -0.100 0.000 2.667 550 L HA 0.019 4.359 4.340 -0.000 0.000 0.278 550 L C -1.851 174.818 176.870 -0.335 0.000 1.217 550 L CA -0.892 53.587 54.840 -0.602 0.000 0.935 550 L CB -0.319 41.624 42.059 -0.195 0.000 1.193 550 L HN 0.280 nan 8.230 nan 0.000 0.493 551 P HA 0.103 nan 4.420 nan 0.000 0.280 551 P C -0.003 177.247 177.300 -0.083 0.000 1.386 551 P CA -0.277 62.717 63.100 -0.176 0.000 0.899 551 P CB 1.432 33.052 31.700 -0.133 0.000 1.098 552 A N 4.431 127.196 122.820 -0.092 0.000 2.070 552 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 552 A C 1.752 179.248 177.584 -0.146 0.000 1.159 552 A CA 1.166 53.120 52.037 -0.138 0.000 0.656 552 A CB -0.625 18.254 19.000 -0.201 0.000 0.800 552 A HN 0.558 nan 8.150 nan 0.000 0.453 553 E N 0.067 120.191 120.200 -0.126 0.000 2.479 553 E HA 0.004 4.354 4.350 -0.000 0.000 0.193 553 E C 0.018 176.558 176.600 -0.099 0.000 1.049 553 E CA 0.399 56.725 56.400 -0.122 0.000 0.870 553 E CB -0.031 29.589 29.700 -0.132 0.000 0.944 553 E HN 0.506 nan 8.360 nan 0.000 0.492 554 K N 1.426 121.781 120.400 -0.074 0.000 3.309 554 K HA 0.339 4.659 4.320 -0.000 0.000 0.187 554 K C -0.364 176.191 176.600 -0.075 0.000 1.085 554 K CA -0.281 55.978 56.287 -0.046 0.000 0.867 554 K CB 0.856 33.364 32.500 0.013 0.000 0.846 554 K HN 0.025 nan 8.250 nan 0.000 0.522 555 L N 1.834 122.932 121.223 -0.208 0.000 2.453 555 L HA 0.153 4.493 4.340 -0.000 0.000 0.272 555 L C 0.557 177.025 176.870 -0.671 0.000 1.182 555 L CA 0.119 54.660 54.840 -0.498 0.000 0.858 555 L CB 0.198 42.049 42.059 -0.347 0.000 1.120 555 L HN 0.064 nan 8.230 nan 0.000 0.474 556 R N 5.847 125.561 120.500 -1.309 0.000 2.494 556 R HA 0.357 4.697 4.340 -0.000 0.000 0.284 556 R C -0.054 175.877 176.300 -0.614 0.000 1.525 556 R CA -0.095 55.566 56.100 -0.732 0.000 1.460 556 R CB 0.724 30.765 30.300 -0.433 0.000 1.134 556 R HN 0.722 nan 8.270 nan 0.000 0.592 557 L N -0.940 120.043 121.223 -0.401 0.000 3.154 557 L HA 0.261 4.601 4.340 -0.000 0.000 0.280 557 L C 0.190 176.968 176.870 -0.153 0.000 1.134 557 L CA -0.003 54.696 54.840 -0.236 0.000 1.037 557 L CB 0.730 42.661 42.059 -0.214 0.000 1.571 557 L HN 0.177 nan 8.230 nan 0.000 0.576 558 D N 0.403 120.710 120.400 -0.155 0.000 2.317 558 D HA 0.124 4.764 4.640 -0.000 0.000 0.234 558 D C 1.121 177.364 176.300 -0.094 0.000 1.112 558 D CA 0.103 54.034 54.000 -0.115 0.000 0.840 558 D CB 1.809 42.543 40.800 -0.109 0.000 1.078 558 D HN 0.058 nan 8.370 nan 0.000 0.486 559 S N 2.496 118.150 115.700 -0.077 0.000 2.469 559 S HA -0.118 4.352 4.470 -0.000 0.000 0.238 559 S C 1.704 176.272 174.600 -0.053 0.000 0.998 559 S CA 0.643 58.807 58.200 -0.060 0.000 0.957 559 S CB 0.017 63.186 63.200 -0.051 0.000 0.764 559 S HN 0.442 nan 8.310 nan 0.000 0.514 560 A N 0.778 123.565 122.820 -0.055 0.000 2.238 560 A HA 0.440 4.760 4.320 -0.000 0.000 0.208 560 A C 1.889 179.444 177.584 -0.048 0.000 1.177 560 A CA 0.537 52.546 52.037 -0.047 0.000 0.804 560 A CB -0.445 18.529 19.000 -0.043 0.000 0.823 560 A HN 0.614 nan 8.150 nan 0.000 0.482 561 M N -1.996 117.568 119.600 -0.060 0.000 2.188 561 M HA 0.196 4.676 4.480 -0.000 0.000 0.310 561 M C -0.330 175.930 176.300 -0.067 0.000 0.993 561 M CA 0.274 55.536 55.300 -0.063 0.000 1.127 561 M CB 0.915 33.470 32.600 -0.075 0.000 1.927 561 M HN 0.108 nan 8.290 nan 0.000 0.655 562 S N 0.742 116.399 115.700 -0.072 0.000 2.570 562 S HA 0.507 4.977 4.470 -0.000 0.000 0.286 562 S C -0.176 174.394 174.600 -0.050 0.000 1.099 562 S CA -0.908 57.251 58.200 -0.069 0.000 0.913 562 S CB 2.102 65.242 63.200 -0.100 0.000 1.085 562 S HN 0.370 nan 8.310 nan 0.000 0.480 563 S N 1.297 116.976 115.700 -0.036 0.000 2.579 563 S HA 0.454 4.923 4.470 -0.000 0.000 0.275 563 S C 1.389 175.976 174.600 -0.021 0.000 1.345 563 S CA -0.196 57.989 58.200 -0.025 0.000 1.031 563 S CB 0.731 63.922 63.200 -0.016 0.000 0.892 563 S HN 0.925 nan 8.310 nan 0.000 0.529 564 A N 2.681 125.491 122.820 -0.017 0.000 1.940 564 A HA 0.092 4.412 4.320 -0.000 0.000 0.219 564 A C 2.398 179.982 177.584 0.000 0.000 1.176 564 A CA 1.870 53.900 52.037 -0.011 0.000 0.631 564 A CB -1.629 17.365 19.000 -0.011 0.000 0.814 564 A HN 1.381 nan 8.150 nan 0.000 0.446 565 A N -0.107 122.714 122.820 0.002 0.000 1.898 565 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 565 A C 1.784 179.382 177.584 0.024 0.000 1.181 565 A CA 1.852 53.895 52.037 0.010 0.000 0.620 565 A CB -0.537 18.467 19.000 0.006 0.000 0.819 565 A HN 0.440 nan 8.150 nan 0.000 0.442 566 D N -0.025 120.388 120.400 0.021 0.000 2.144 566 D HA -0.081 4.559 4.640 -0.000 0.000 0.200 566 D C 1.837 178.179 176.300 0.070 0.000 0.978 566 D CA 0.947 54.971 54.000 0.041 0.000 0.833 566 D CB -0.303 40.506 40.800 0.015 0.000 0.961 566 D HN 0.523 nan 8.370 nan 0.000 0.470 567 I N 1.061 121.649 120.570 0.030 0.000 2.179 567 I HA -0.211 3.959 4.170 -0.000 0.000 0.242 567 I C 2.235 178.420 176.117 0.114 0.000 1.088 567 I CA 1.033 62.356 61.300 0.039 0.000 1.357 567 I CB -0.083 37.910 38.000 -0.012 0.000 1.051 567 I HN -0.093 nan 8.210 nan 0.000 0.409 568 E N 0.868 121.111 120.200 0.073 0.000 2.152 568 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 568 E C 2.302 178.947 176.600 0.075 0.000 0.983 568 E CA 1.228 57.669 56.400 0.069 0.000 0.818 568 E CB -0.248 29.473 29.700 0.035 0.000 0.758 568 E HN 0.482 nan 8.360 nan 0.000 0.467 569 A N 0.731 123.598 122.820 0.077 0.000 1.902 569 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 569 A C 2.082 179.710 177.584 0.072 0.000 1.181 569 A CA 1.171 53.240 52.037 0.054 0.000 0.623 569 A CB -0.784 18.248 19.000 0.052 0.000 0.818 569 A HN 0.295 nan 8.150 nan 0.000 0.443 570 F N 0.675 120.636 119.950 0.018 0.000 2.113 570 F HA -0.131 4.396 4.527 0.000 0.000 0.297 570 F C 2.190 178.057 175.800 0.112 0.000 1.103 570 F CA 2.105 60.169 58.000 0.107 0.000 1.248 570 F CB -0.139 38.951 39.000 0.150 0.000 0.999 570 F HN 0.097 nan 8.300 nan 0.000 0.475 571 K N -0.098 120.484 120.400 0.304 0.000 2.074 571 K HA -0.297 4.023 4.320 -0.000 0.000 0.209 571 K C 2.170 178.783 176.600 0.021 0.000 1.048 571 K CA 2.012 58.392 56.287 0.155 0.000 0.926 571 K CB -0.407 32.180 32.500 0.145 0.000 0.713 571 K HN 0.461 nan 8.250 nan 0.000 0.444 572 Q N 0.879 120.669 119.800 -0.018 0.000 2.083 572 Q HA -0.147 4.193 4.340 -0.000 0.000 0.198 572 Q C 2.240 178.155 176.000 -0.142 0.000 0.969 572 Q CA 1.208 56.978 55.803 -0.054 0.000 0.838 572 Q CB 0.079 28.791 28.738 -0.044 0.000 0.900 572 Q HN 0.179 nan 8.270 nan 0.000 0.436 573 R N -0.950 119.371 120.500 -0.299 0.000 2.092 573 R HA -0.137 4.203 4.340 -0.000 0.000 0.231 573 R C 0.816 176.768 176.300 -0.581 0.000 1.119 573 R CA 1.397 57.175 56.100 -0.536 0.000 0.970 573 R CB 0.047 29.823 30.300 -0.872 0.000 0.864 573 R HN 0.329 nan 8.270 nan 0.000 0.440 574 Y N 0.712 120.905 120.300 -0.177 0.000 2.485 574 Y HA 0.250 4.800 4.550 -0.000 0.000 0.260 574 Y C -0.283 175.638 175.900 0.035 0.000 1.173 574 Y CA -0.261 57.758 58.100 -0.134 0.000 1.252 574 Y CB 0.218 38.436 38.460 -0.404 0.000 1.123 574 Y HN 0.134 nan 8.280 nan 0.000 0.524 575 E N -0.599 119.660 120.200 0.099 0.000 2.389 575 E HA -0.246 4.104 4.350 -0.000 0.000 0.243 575 E C 0.556 177.311 176.600 0.259 0.000 1.154 575 E CA 0.431 56.910 56.400 0.132 0.000 0.723 575 E CB -1.370 28.385 29.700 0.091 0.000 1.261 575 E HN 0.480 nan 8.360 nan 0.000 0.390 576 A N 0.387 123.310 122.820 0.172 0.000 2.630 576 A HA 0.199 4.519 4.320 -0.000 0.000 0.290 576 A C 1.419 179.057 177.584 0.091 0.000 1.267 576 A CA -0.241 51.847 52.037 0.085 0.000 0.950 576 A CB 0.301 19.264 19.000 -0.063 0.000 1.144 576 A HN 0.141 nan 8.150 nan 0.000 0.527 577 Q N 0.443 120.303 119.800 0.100 0.000 2.197 577 Q HA -0.163 4.177 4.340 -0.000 0.000 0.207 577 Q C 0.573 176.613 176.000 0.066 0.000 0.984 577 Q CA 1.965 57.813 55.803 0.075 0.000 0.869 577 Q CB -0.003 28.770 28.738 0.057 0.000 0.906 577 Q HN 0.560 nan 8.270 nan 0.000 0.426 578 D N -0.897 119.553 120.400 0.082 0.000 2.349 578 D HA 0.088 4.728 4.640 -0.000 0.000 0.214 578 D C -0.186 176.162 176.300 0.080 0.000 1.063 578 D CA 0.069 54.115 54.000 0.077 0.000 0.847 578 D CB 0.296 41.146 40.800 0.084 0.000 0.933 578 D HN 0.226 nan 8.370 nan 0.000 0.513 579 L N 1.515 122.773 121.223 0.058 0.000 2.416 579 L HA 0.104 4.444 4.340 -0.000 0.000 0.272 579 L C 0.644 177.542 176.870 0.046 0.000 1.161 579 L CA 0.097 54.968 54.840 0.052 0.000 0.845 579 L CB 0.728 42.776 42.059 -0.020 0.000 1.119 579 L HN -0.231 nan 8.230 nan 0.000 0.464 580 Q N 4.540 124.383 119.800 0.071 0.000 2.309 580 Q HA 0.455 4.795 4.340 -0.000 0.000 0.264 580 Q C -2.325 173.659 176.000 -0.027 0.000 1.008 580 Q CA -1.867 53.919 55.803 -0.029 0.000 0.853 580 Q CB 2.258 30.907 28.738 -0.148 0.000 1.314 580 Q HN 0.326 nan 8.270 nan 0.000 0.448 581 P HA -0.011 nan 4.420 nan 0.000 0.272 581 P C 0.784 178.040 177.300 -0.072 0.000 1.223 581 P CA -0.342 62.702 63.100 -0.094 0.000 0.784 581 P CB 0.885 32.513 31.700 -0.120 0.000 0.923 582 L N 3.340 124.559 121.223 -0.007 0.000 2.081 582 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 582 L C 2.411 179.300 176.870 0.032 0.000 1.080 582 L CA 2.730 57.612 54.840 0.071 0.000 0.754 582 L CB -1.643 40.421 42.059 0.007 0.000 0.893 582 L HN 0.502 nan 8.230 nan 0.000 0.433 583 S N -2.690 112.992 115.700 -0.030 0.000 2.402 583 S HA -0.246 4.224 4.470 -0.000 0.000 0.233 583 S C 1.878 176.427 174.600 -0.085 0.000 1.030 583 S CA 1.700 59.881 58.200 -0.033 0.000 1.003 583 S CB -1.355 61.817 63.200 -0.048 0.000 0.813 583 S HN 0.577 nan 8.310 nan 0.000 0.477 584 T N 1.241 115.663 114.554 -0.219 0.000 2.684 584 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 584 T C 1.397 175.909 174.700 -0.313 0.000 1.036 584 T CA 1.856 63.741 62.100 -0.359 0.000 1.148 584 T CB -0.520 67.972 68.868 -0.626 0.000 0.863 584 T HN 0.619 nan 8.240 nan 0.000 0.436 585 Y N 0.958 121.274 120.300 0.026 0.000 2.286 585 Y HA 0.203 4.753 4.550 -0.000 0.000 0.293 585 Y C 2.195 178.210 175.900 0.192 0.000 1.124 585 Y CA -0.034 58.127 58.100 0.103 0.000 1.178 585 Y CB -0.818 37.691 38.460 0.083 0.000 1.010 585 Y HN 0.121 nan 8.280 nan 0.000 0.536 586 L N 0.071 121.440 121.223 0.242 0.000 2.012 586 L HA -0.282 4.058 4.340 -0.000 0.000 0.210 586 L C 2.274 179.248 176.870 0.173 0.000 1.073 586 L CA 1.730 56.704 54.840 0.223 0.000 0.748 586 L CB -0.532 41.628 42.059 0.168 0.000 0.891 586 L HN 0.164 nan 8.230 nan 0.000 0.431 587 K N -0.446 119.999 120.400 0.074 0.000 2.097 587 K HA -0.184 4.136 4.320 -0.000 0.000 0.205 587 K C 2.163 178.751 176.600 -0.019 0.000 1.050 587 K CA 1.157 57.456 56.287 0.020 0.000 0.938 587 K CB -0.130 32.353 32.500 -0.028 0.000 0.718 587 K HN 0.354 nan 8.250 nan 0.000 0.442 588 Q N -0.375 119.381 119.800 -0.072 0.000 2.152 588 Q HA -0.154 4.186 4.340 -0.000 0.000 0.206 588 Q C 1.104 176.862 176.000 -0.402 0.000 0.985 588 Q CA 1.476 57.112 55.803 -0.280 0.000 0.863 588 Q CB -0.038 28.451 28.738 -0.415 0.000 0.904 588 Q HN 0.284 nan 8.270 nan 0.000 0.422 589 F N -1.263 118.726 119.950 0.064 0.000 2.660 589 F HA 0.288 4.815 4.527 -0.000 0.000 0.302 589 F C 1.198 177.041 175.800 0.072 0.000 1.103 589 F CA 0.454 58.497 58.000 0.071 0.000 1.340 589 F CB 0.866 39.917 39.000 0.084 0.000 1.048 589 F HN 0.099 nan 8.300 nan 0.000 0.551 590 G N 0.794 109.682 108.800 0.147 0.000 2.132 590 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.234 590 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.234 590 G C -0.075 174.894 174.900 0.116 0.000 0.989 590 G CA -0.267 44.897 45.100 0.106 0.000 0.676 590 G HN 0.270 nan 8.290 nan 0.000 0.522 591 L N 0.979 122.290 121.223 0.146 0.000 2.325 591 L HA 0.566 4.906 4.340 -0.000 0.000 0.278 591 L C 0.056 176.987 176.870 0.101 0.000 1.023 591 L CA -1.178 53.743 54.840 0.135 0.000 0.811 591 L CB 1.304 43.481 42.059 0.197 0.000 1.249 591 L HN 0.267 nan 8.230 nan 0.000 0.431 592 D N -0.539 119.905 120.400 0.073 0.000 2.312 592 D HA 0.205 4.845 4.640 -0.000 0.000 0.248 592 D C -0.387 175.948 176.300 0.058 0.000 1.086 592 D CA -0.636 53.394 54.000 0.050 0.000 0.948 592 D CB 0.964 41.781 40.800 0.028 0.000 1.162 592 D HN 0.310 nan 8.370 nan 0.000 0.446 593 D N 0.000 120.424 120.400 0.039 0.000 6.856 593 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 593 D CA 0.000 54.022 54.000 0.036 0.000 0.868 593 D CB 0.000 40.808 40.800 0.014 0.000 0.688 593 D HN 0.000 nan 8.370 nan 0.000 0.683