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 3a8k_1_D DATA FIRST_RESID 1 DATA SEQUENCE AQQTPLYEQH TLCGARMVDF HGWMMPLHYG SQIDEHHAVR TDAGMFDVSH DATA SEQUENCE MTIVDLRGSR TREFLRYLLA NDVAKLTKSG KALYSGMLNA SGGVIDNLIV DATA SEQUENCE YYFTEDFFRL VVNSATREKD LSWITQHAEP FGIEITVRDD LSMIAVQGPN DATA SEQUENCE AQAKAATLFN DAQRQAVEGM KPFFGVQAGD LFIATTGYTG EAGYEIALPN DATA SEQUENCE EKAADFWRAL VEAGVKPCGL GARDTLRLEA GMNLYGQEMD ETISPLAANM DATA SEQUENCE GWTIAWEPAD RDFIGREALE VQREHGTEKL VGLVMTEKGV LRNELPVRFT DATA SEQUENCE DAQGNQHEGI ITSGTFSPTL GYSIALARVP EGIGETAIVQ IRNREMPVKV DATA SEQUENCE TKPVFVRNGK AV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.478 177.584 -0.177 0.000 1.274 1 A CA 0.000 51.966 52.037 -0.119 0.000 0.836 1 A CB 0.000 18.980 19.000 -0.033 0.000 0.831 2 Q N 0.853 120.449 119.800 -0.341 0.000 2.417 2 Q HA 0.435 4.774 4.340 -0.001 0.000 0.241 2 Q C 0.049 175.985 176.000 -0.106 0.000 1.008 2 Q CA -0.122 55.444 55.803 -0.395 0.000 0.901 2 Q CB 0.683 28.824 28.738 -0.995 0.000 1.259 2 Q HN 0.768 nan 8.270 nan 0.000 0.489 3 Q N -0.526 119.280 119.800 0.010 0.000 2.348 3 Q HA 0.524 4.864 4.340 -0.001 0.000 0.271 3 Q C -0.547 175.708 176.000 0.425 0.000 1.067 3 Q CA -0.951 55.005 55.803 0.254 0.000 0.839 3 Q CB 1.367 30.119 28.738 0.023 0.000 1.354 3 Q HN 0.664 nan 8.270 nan 0.000 0.447 4 T N -2.497 112.359 114.554 0.502 0.000 2.754 4 T HA 0.231 4.581 4.350 -0.001 0.000 0.286 4 T C -1.769 173.073 174.700 0.235 0.000 0.997 4 T CA -1.330 60.999 62.100 0.382 0.000 0.982 4 T CB 0.214 69.236 68.868 0.257 0.000 1.027 4 T HN 0.438 nan 8.240 nan 0.000 0.529 5 P HA 0.174 nan 4.420 nan 0.000 0.234 5 P C 1.007 178.317 177.300 0.016 0.000 1.167 5 P CA 0.493 63.651 63.100 0.096 0.000 0.763 5 P CB -0.086 31.666 31.700 0.086 0.000 0.835 6 L N -2.851 118.331 121.223 -0.068 0.000 2.591 6 L HA 0.042 4.381 4.340 -0.001 0.000 0.228 6 L C 2.054 178.617 176.870 -0.511 0.000 1.133 6 L CA 0.021 54.597 54.840 -0.441 0.000 0.880 6 L CB -0.585 41.013 42.059 -0.769 0.000 1.033 6 L HN -0.057 nan 8.230 nan 0.000 0.450 7 Y N 1.406 121.614 120.300 -0.153 0.000 2.081 7 Y HA -0.382 4.168 4.550 -0.001 0.000 0.280 7 Y C 2.587 178.457 175.900 -0.050 0.000 1.163 7 Y CA 2.344 60.448 58.100 0.007 0.000 1.135 7 Y CB 0.093 38.588 38.460 0.059 0.000 0.970 7 Y HN 0.251 nan 8.280 nan 0.000 0.498 8 E N -0.747 119.498 120.200 0.074 0.000 2.072 8 E HA -0.246 4.103 4.350 -0.001 0.000 0.191 8 E C 2.115 178.656 176.600 -0.097 0.000 0.985 8 E CA 1.160 57.574 56.400 0.024 0.000 0.801 8 E CB -0.023 29.724 29.700 0.080 0.000 0.750 8 E HN 0.511 nan 8.360 nan 0.000 0.452 9 Q N 0.091 119.764 119.800 -0.211 0.000 2.112 9 Q HA -0.198 4.141 4.340 -0.001 0.000 0.206 9 Q C 2.098 177.981 176.000 -0.193 0.000 0.987 9 Q CA 1.350 57.004 55.803 -0.250 0.000 0.858 9 Q CB -0.635 27.753 28.738 -0.583 0.000 0.905 9 Q HN 0.531 nan 8.270 nan 0.000 0.420 10 H N 0.005 118.937 119.070 -0.230 0.000 2.319 10 H HA -0.080 4.475 4.556 -0.001 0.000 0.299 10 H C 2.319 177.623 175.328 -0.040 0.000 1.092 10 H CA 2.110 58.113 56.048 -0.075 0.000 1.302 10 H CB -0.699 28.905 29.762 -0.263 0.000 1.373 10 H HN 0.474 nan 8.280 nan 0.000 0.497 11 T N -0.400 114.103 114.554 -0.085 0.000 2.788 11 T HA -0.086 4.264 4.350 -0.001 0.000 0.268 11 T C 2.319 177.035 174.700 0.027 0.000 1.044 11 T CA 0.912 62.966 62.100 -0.076 0.000 1.139 11 T CB -0.712 68.073 68.868 -0.137 0.000 0.867 11 T HN 0.184 nan 8.240 nan 0.000 0.454 12 L N 0.193 121.441 121.223 0.041 0.000 2.191 12 L HA -0.026 4.313 4.340 -0.001 0.000 0.212 12 L C 2.510 179.448 176.870 0.113 0.000 1.103 12 L CA 0.844 55.726 54.840 0.069 0.000 0.769 12 L CB -0.576 41.521 42.059 0.062 0.000 0.908 12 L HN 0.443 nan 8.230 nan 0.000 0.438 13 C N 0.064 119.476 119.300 0.187 0.000 2.626 13 C HA 0.302 4.762 4.460 -0.001 0.000 0.266 13 C C 1.617 176.795 174.990 0.314 0.000 1.317 13 C CA 0.369 59.528 59.018 0.234 0.000 1.716 13 C CB -1.101 26.819 27.740 0.300 0.000 1.819 13 C HN 0.807 nan 8.230 nan 0.000 0.578 14 G N 0.810 109.751 108.800 0.234 0.000 2.142 14 G HA2 0.023 3.982 3.960 -0.001 0.000 0.225 14 G HA3 0.023 3.982 3.960 -0.001 0.000 0.225 14 G C 0.073 175.049 174.900 0.128 0.000 1.015 14 G CA 0.100 45.299 45.100 0.165 0.000 0.716 14 G HN 0.863 nan 8.290 nan 0.000 0.508 15 A N -0.535 122.309 122.820 0.040 0.000 2.425 15 A HA 0.759 5.079 4.320 -0.001 0.000 0.242 15 A C 0.639 178.041 177.584 -0.302 0.000 1.077 15 A CA 0.224 52.054 52.037 -0.346 0.000 0.781 15 A CB 0.365 19.045 19.000 -0.534 0.000 1.020 15 A HN 0.501 nan 8.150 nan 0.000 0.494 16 R N 1.495 121.719 120.500 -0.459 0.000 2.239 16 R HA 0.404 4.743 4.340 -0.001 0.000 0.332 16 R C -0.612 175.467 176.300 -0.367 0.000 0.988 16 R CA -0.313 55.560 56.100 -0.379 0.000 0.859 16 R CB 0.878 30.870 30.300 -0.513 0.000 1.148 16 R HN 0.653 nan 8.270 nan 0.000 0.482 17 M N 3.240 122.703 119.600 -0.229 0.000 2.180 17 M HA 0.321 4.800 4.480 -0.001 0.000 0.358 17 M C -0.144 176.110 176.300 -0.077 0.000 1.233 17 M CA -0.788 54.419 55.300 -0.156 0.000 1.114 17 M CB 1.198 33.763 32.600 -0.059 0.000 1.594 17 M HN 0.400 nan 8.290 nan 0.000 0.467 18 V N -0.235 119.648 119.914 -0.051 0.000 2.914 18 V HA 0.561 4.681 4.120 -0.001 0.000 0.314 18 V C -0.383 175.762 176.094 0.085 0.000 1.084 18 V CA -1.118 61.187 62.300 0.009 0.000 0.963 18 V CB 2.145 33.965 31.823 -0.006 0.000 1.025 18 V HN 0.740 nan 8.190 nan 0.000 0.432 19 D N 2.404 122.861 120.400 0.094 0.000 2.346 19 D HA 0.151 4.790 4.640 -0.001 0.000 0.260 19 D C -1.123 175.283 176.300 0.178 0.000 1.252 19 D CA 0.174 54.251 54.000 0.128 0.000 0.895 19 D CB 0.471 41.317 40.800 0.077 0.000 1.097 19 D HN 0.568 nan 8.370 nan 0.000 0.489 20 F N 5.820 125.804 119.950 0.056 0.000 2.311 20 F HA 0.205 4.731 4.527 -0.001 0.000 0.371 20 F C -0.053 175.825 175.800 0.129 0.000 1.083 20 F CA -0.681 57.304 58.000 -0.025 0.000 1.113 20 F CB -0.159 38.852 39.000 0.017 0.000 1.349 20 F HN 0.390 nan 8.300 nan 0.000 0.470 21 H N 3.302 122.334 119.070 -0.064 0.000 2.677 21 H HA -0.176 4.379 4.556 -0.001 0.000 0.321 21 H C 1.398 176.795 175.328 0.115 0.000 1.171 21 H CA 0.744 56.778 56.048 -0.022 0.000 1.139 21 H CB -1.445 28.244 29.762 -0.123 0.000 1.515 21 H HN 1.103 nan 8.280 nan 0.000 0.423 22 G N -1.371 107.502 108.800 0.122 0.000 2.160 22 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.251 22 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.251 22 G C -0.167 174.640 174.900 -0.156 0.000 1.008 22 G CA 0.367 45.449 45.100 -0.031 0.000 0.724 22 G HN 0.513 nan 8.290 nan 0.000 0.514 23 W N -0.429 120.943 121.300 0.121 0.000 2.715 23 W HA 0.717 5.377 4.660 -0.001 0.000 0.331 23 W C 0.195 176.800 176.519 0.143 0.000 1.031 23 W CA -1.334 56.102 57.345 0.151 0.000 1.237 23 W CB 1.126 30.726 29.460 0.233 0.000 1.378 23 W HN -0.067 nan 8.180 nan 0.000 0.454 24 M N 5.405 125.210 119.600 0.341 0.000 2.350 24 M HA 0.183 4.662 4.480 -0.001 0.000 0.338 24 M C -0.444 176.021 176.300 0.276 0.000 1.559 24 M CA 0.435 55.912 55.300 0.295 0.000 1.217 24 M CB -0.631 32.170 32.600 0.335 0.000 1.808 24 M HN 0.266 nan 8.290 nan 0.000 0.458 25 M N 5.842 125.514 119.600 0.121 0.000 2.591 25 M HA 0.529 5.009 4.480 -0.001 0.000 0.306 25 M C -2.287 173.862 176.300 -0.251 0.000 1.190 25 M CA -2.717 52.531 55.300 -0.087 0.000 0.889 25 M CB 1.918 34.442 32.600 -0.127 0.000 1.728 25 M HN 0.178 nan 8.290 nan 0.000 0.458 26 P HA 0.052 nan 4.420 nan 0.000 0.266 26 P C 0.555 177.590 177.300 -0.442 0.000 1.215 26 P CA -0.138 62.601 63.100 -0.602 0.000 0.763 26 P CB 0.708 31.823 31.700 -0.975 0.000 0.806 27 L N 4.826 125.803 121.223 -0.409 0.000 2.095 27 L HA 0.010 4.349 4.340 -0.001 0.000 0.204 27 L C 0.858 177.630 176.870 -0.163 0.000 1.080 27 L CA 1.877 56.558 54.840 -0.266 0.000 0.759 27 L CB -0.648 41.279 42.059 -0.221 0.000 0.914 27 L HN 0.678 nan 8.230 nan 0.000 0.439 28 H N -5.801 113.137 119.070 -0.219 0.000 2.883 28 H HA 0.359 4.914 4.556 -0.001 0.000 0.277 28 H C -1.463 173.694 175.328 -0.285 0.000 1.451 28 H CA -0.981 54.993 56.048 -0.123 0.000 1.157 28 H CB -0.062 29.701 29.762 0.002 0.000 1.851 28 H HN -0.112 nan 8.280 nan 0.000 0.566 29 Y N 0.043 120.490 120.300 0.245 0.000 2.672 29 Y HA 0.520 5.069 4.550 -0.001 0.000 0.272 29 Y C 1.329 177.364 175.900 0.225 0.000 1.055 29 Y CA 0.230 58.425 58.100 0.157 0.000 1.151 29 Y CB 1.169 39.687 38.460 0.096 0.000 1.190 29 Y HN 1.183 nan 8.280 nan 0.000 0.574 30 G N -0.138 108.991 108.800 0.547 0.000 2.391 30 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.204 30 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.204 30 G C 0.116 175.019 174.900 0.004 0.000 1.012 30 G CA 0.027 45.258 45.100 0.219 0.000 0.651 30 G HN 0.419 nan 8.290 nan 0.000 0.494 31 S N -0.026 115.683 115.700 0.016 0.000 2.609 31 S HA 0.510 4.980 4.470 -0.001 0.000 0.250 31 S C 0.528 175.127 174.600 -0.001 0.000 1.112 31 S CA 0.725 58.888 58.200 -0.060 0.000 1.102 31 S CB 1.330 64.522 63.200 -0.013 0.000 1.124 31 S HN 0.423 nan 8.310 nan 0.000 0.460 32 Q N 3.536 123.299 119.800 -0.063 0.000 2.124 32 Q HA -0.085 4.255 4.340 -0.001 0.000 0.202 32 Q C 1.476 177.537 176.000 0.102 0.000 0.977 32 Q CA 1.677 57.514 55.803 0.057 0.000 0.850 32 Q CB -0.004 28.751 28.738 0.028 0.000 0.901 32 Q HN 0.829 nan 8.270 nan 0.000 0.429 33 I N 1.405 122.012 120.570 0.060 0.000 2.142 33 I HA -0.270 3.900 4.170 -0.001 0.000 0.240 33 I C 1.683 177.890 176.117 0.150 0.000 1.078 33 I CA 1.500 62.858 61.300 0.097 0.000 1.343 33 I CB -1.156 36.869 38.000 0.043 0.000 1.046 33 I HN 0.244 nan 8.210 nan 0.000 0.405 34 D N 0.567 121.025 120.400 0.096 0.000 2.178 34 D HA -0.175 4.464 4.640 -0.001 0.000 0.201 34 D C 2.135 178.514 176.300 0.131 0.000 0.980 34 D CA 0.978 55.042 54.000 0.107 0.000 0.842 34 D CB -0.075 40.754 40.800 0.049 0.000 0.948 34 D HN 0.482 nan 8.370 nan 0.000 0.472 35 E N -0.348 119.922 120.200 0.118 0.000 2.047 35 E HA -0.170 4.180 4.350 -0.001 0.000 0.191 35 E C 2.108 178.762 176.600 0.090 0.000 0.987 35 E CA 0.601 57.048 56.400 0.079 0.000 0.799 35 E CB -0.158 29.612 29.700 0.116 0.000 0.752 35 E HN 0.399 nan 8.360 nan 0.000 0.449 36 H N 1.052 120.179 119.070 0.095 0.000 2.289 36 H HA -0.215 4.340 4.556 -0.001 0.000 0.296 36 H C 2.210 177.582 175.328 0.074 0.000 1.091 36 H CA 2.026 58.129 56.048 0.092 0.000 1.274 36 H CB -0.245 29.564 29.762 0.078 0.000 1.364 36 H HN 0.310 nan 8.280 nan 0.000 0.490 37 H N 0.480 119.595 119.070 0.074 0.000 2.352 37 H HA -0.114 4.442 4.556 -0.001 0.000 0.299 37 H C 2.071 177.360 175.328 -0.065 0.000 1.097 37 H CA 1.506 57.565 56.048 0.019 0.000 1.311 37 H CB -0.055 29.738 29.762 0.051 0.000 1.377 37 H HN 0.489 nan 8.280 nan 0.000 0.504 38 A N 0.473 123.231 122.820 -0.104 0.000 1.933 38 A HA -0.096 4.223 4.320 -0.001 0.000 0.218 38 A C 2.830 180.290 177.584 -0.207 0.000 1.175 38 A CA 1.575 53.512 52.037 -0.166 0.000 0.628 38 A CB -0.784 18.155 19.000 -0.102 0.000 0.814 38 A HN 0.315 nan 8.150 nan 0.000 0.444 39 V N -0.042 119.764 119.914 -0.180 0.000 2.379 39 V HA -0.163 3.957 4.120 -0.001 0.000 0.245 39 V C 2.619 178.601 176.094 -0.186 0.000 1.044 39 V CA 1.723 63.939 62.300 -0.140 0.000 1.036 39 V CB -0.730 31.080 31.823 -0.021 0.000 0.664 39 V HN 0.447 nan 8.190 nan 0.000 0.453 40 R N 0.641 120.975 120.500 -0.277 0.000 2.148 40 R HA -0.065 4.274 4.340 -0.001 0.000 0.223 40 R C 2.172 178.336 176.300 -0.227 0.000 1.088 40 R CA 1.808 57.764 56.100 -0.241 0.000 0.985 40 R CB -0.588 29.563 30.300 -0.248 0.000 0.880 40 R HN 0.723 nan 8.270 nan 0.000 0.451 41 T N -3.739 110.621 114.554 -0.324 0.000 2.975 41 T HA 0.117 4.466 4.350 -0.001 0.000 0.257 41 T C 0.576 175.145 174.700 -0.219 0.000 1.003 41 T CA 0.198 62.117 62.100 -0.302 0.000 0.932 41 T CB 0.586 69.157 68.868 -0.494 0.000 1.087 41 T HN 0.056 nan 8.240 nan 0.000 0.512 42 D N 1.348 121.626 120.400 -0.204 0.000 2.290 42 D HA 0.540 5.180 4.640 -0.001 0.000 0.091 42 D C -1.214 175.000 176.300 -0.144 0.000 1.422 42 D CA 0.628 54.535 54.000 -0.155 0.000 1.340 42 D CB 0.648 41.361 40.800 -0.144 0.000 2.473 42 D HN 0.454 nan 8.370 nan 0.000 0.196 43 A N -0.152 122.576 122.820 -0.153 0.000 2.532 43 A HA 0.698 5.018 4.320 -0.001 0.000 0.296 43 A C -0.389 177.081 177.584 -0.191 0.000 1.058 43 A CA -0.006 51.937 52.037 -0.157 0.000 0.729 43 A CB 1.510 20.414 19.000 -0.161 0.000 1.285 43 A HN 0.553 nan 8.150 nan 0.000 0.396 44 G N 0.786 109.468 108.800 -0.197 0.000 2.642 44 G HA2 0.822 4.782 3.960 -0.001 0.000 0.293 44 G HA3 0.822 4.782 3.960 -0.001 0.000 0.293 44 G C -0.654 174.026 174.900 -0.366 0.000 1.341 44 G CA -0.347 44.565 45.100 -0.314 0.000 0.916 44 G HN 1.554 nan 8.290 nan 0.000 0.474 45 M N -0.637 118.630 119.600 -0.555 0.000 2.593 45 M HA 0.828 5.308 4.480 -0.001 0.000 0.290 45 M C -2.026 174.004 176.300 -0.451 0.000 1.244 45 M CA -0.851 54.211 55.300 -0.396 0.000 0.857 45 M CB 2.550 34.952 32.600 -0.331 0.000 1.738 45 M HN 0.276 nan 8.290 nan 0.000 0.461 46 F N 0.120 120.207 119.950 0.229 0.000 2.529 46 F HA 0.373 4.899 4.527 -0.001 0.000 0.320 46 F C -0.183 175.851 175.800 0.390 0.000 1.118 46 F CA -0.629 57.557 58.000 0.310 0.000 0.915 46 F CB 1.381 40.505 39.000 0.207 0.000 1.161 46 F HN 0.632 nan 8.300 nan 0.000 0.445 47 D N 2.637 123.372 120.400 0.559 0.000 2.368 47 D HA 0.136 4.776 4.640 -0.001 0.000 0.268 47 D C 0.436 176.895 176.300 0.266 0.000 1.298 47 D CA 0.335 54.550 54.000 0.358 0.000 0.938 47 D CB 0.998 41.953 40.800 0.259 0.000 1.101 47 D HN 0.386 nan 8.370 nan 0.000 0.509 48 V N 1.291 121.389 119.914 0.308 0.000 3.006 48 V HA 0.199 4.319 4.120 -0.001 0.000 0.357 48 V C 1.276 177.544 176.094 0.290 0.000 1.377 48 V CA -0.398 62.116 62.300 0.358 0.000 1.198 48 V CB 0.020 32.008 31.823 0.276 0.000 1.216 48 V HN 0.301 nan 8.190 nan 0.000 0.520 49 S N 1.831 117.654 115.700 0.205 0.000 2.547 49 S HA -0.100 4.370 4.470 -0.001 0.000 0.235 49 S C 1.703 176.254 174.600 -0.081 0.000 0.980 49 S CA 1.363 59.618 58.200 0.092 0.000 0.941 49 S CB -0.556 62.705 63.200 0.102 0.000 0.763 49 S HN 1.016 nan 8.310 nan 0.000 0.532 50 H N 0.127 118.902 119.070 -0.491 0.000 2.551 50 H HA 0.313 4.868 4.556 -0.001 0.000 0.266 50 H C 0.499 175.526 175.328 -0.503 0.000 0.977 50 H CA -0.154 55.230 56.048 -1.106 0.000 1.163 50 H CB -0.558 28.331 29.762 -1.456 0.000 1.381 50 H HN 0.343 nan 8.280 nan 0.000 0.581 51 M N 1.139 120.459 119.600 -0.468 0.000 2.227 51 M HA 0.229 4.708 4.480 -0.001 0.000 0.316 51 M C -0.165 176.066 176.300 -0.115 0.000 1.144 51 M CA 0.137 55.241 55.300 -0.327 0.000 1.121 51 M CB 1.142 33.597 32.600 -0.241 0.000 1.440 51 M HN -0.043 nan 8.290 nan 0.000 0.473 52 T N 2.019 116.534 114.554 -0.064 0.000 2.792 52 T HA 0.604 4.953 4.350 -0.001 0.000 0.280 52 T C -0.498 174.211 174.700 0.016 0.000 0.990 52 T CA -0.520 61.584 62.100 0.005 0.000 0.960 52 T CB 0.673 69.558 68.868 0.029 0.000 0.939 52 T HN 0.368 nan 8.240 nan 0.000 0.439 53 I N 3.142 123.731 120.570 0.031 0.000 2.359 53 I HA 0.479 4.649 4.170 -0.001 0.000 0.294 53 I C -0.507 175.640 176.117 0.049 0.000 0.987 53 I CA -0.804 60.516 61.300 0.033 0.000 1.225 53 I CB 1.574 39.578 38.000 0.006 0.000 1.366 53 I HN 0.241 nan 8.210 nan 0.000 0.466 54 V N 5.190 125.146 119.914 0.070 0.000 2.407 54 V HA 0.317 4.436 4.120 -0.001 0.000 0.291 54 V C -0.736 175.444 176.094 0.143 0.000 1.018 54 V CA -0.757 61.602 62.300 0.097 0.000 0.842 54 V CB 1.618 33.503 31.823 0.102 0.000 0.996 54 V HN 0.569 nan 8.190 nan 0.000 0.426 55 D N 4.689 125.187 120.400 0.164 0.000 2.210 55 D HA 0.621 5.260 4.640 -0.001 0.000 0.249 55 D C -0.468 175.995 176.300 0.272 0.000 1.078 55 D CA 0.039 54.211 54.000 0.285 0.000 0.875 55 D CB 1.973 42.953 40.800 0.299 0.000 1.175 55 D HN 0.335 nan 8.370 nan 0.000 0.440 56 L N 2.449 123.902 121.223 0.384 0.000 2.376 56 L HA 0.526 4.866 4.340 -0.001 0.000 0.275 56 L C 0.197 177.289 176.870 0.371 0.000 0.987 56 L CA -0.661 54.365 54.840 0.310 0.000 0.828 56 L CB 1.902 44.147 42.059 0.310 0.000 1.249 56 L HN 0.031 nan 8.230 nan 0.000 0.409 57 R N 1.679 122.303 120.500 0.205 0.000 2.621 57 R HA 0.868 5.207 4.340 -0.001 0.000 0.292 57 R C -0.507 175.867 176.300 0.125 0.000 0.969 57 R CA -0.624 55.568 56.100 0.154 0.000 0.887 57 R CB 2.425 32.708 30.300 -0.029 0.000 1.180 57 R HN 0.845 nan 8.270 nan 0.000 0.450 58 G N -0.196 108.693 108.800 0.149 0.000 2.347 58 G HA2 -0.120 3.840 3.960 -0.001 0.000 0.321 58 G HA3 -0.120 3.840 3.960 -0.001 0.000 0.321 58 G C 0.144 175.137 174.900 0.155 0.000 1.412 58 G CA -0.190 44.980 45.100 0.117 0.000 0.990 58 G HN 0.534 nan 8.290 nan 0.000 0.637 59 S N -0.901 114.876 115.700 0.129 0.000 2.515 59 S HA 0.010 4.480 4.470 -0.001 0.000 0.231 59 S C 1.534 176.232 174.600 0.163 0.000 0.987 59 S CA 1.196 59.480 58.200 0.139 0.000 0.936 59 S CB -0.024 63.238 63.200 0.105 0.000 0.766 59 S HN 0.639 nan 8.310 nan 0.000 0.528 60 R N 0.475 121.081 120.500 0.177 0.000 2.468 60 R HA 0.243 4.583 4.340 -0.001 0.000 0.280 60 R C 1.136 177.548 176.300 0.185 0.000 0.963 60 R CA 0.407 56.637 56.100 0.217 0.000 1.083 60 R CB -0.157 30.333 30.300 0.316 0.000 1.200 60 R HN 0.353 nan 8.270 nan 0.000 0.541 61 T N 1.318 115.982 114.554 0.184 0.000 2.684 61 T HA -0.220 4.130 4.350 -0.001 0.000 0.267 61 T C 1.787 176.463 174.700 -0.039 0.000 1.036 61 T CA 1.401 63.597 62.100 0.160 0.000 1.148 61 T CB -0.078 68.962 68.868 0.287 0.000 0.863 61 T HN 0.305 nan 8.240 nan 0.000 0.436 62 R N 0.895 121.394 120.500 -0.001 0.000 2.083 62 R HA -0.135 4.204 4.340 -0.001 0.000 0.237 62 R C 2.532 178.746 176.300 -0.143 0.000 1.137 62 R CA 1.895 57.897 56.100 -0.163 0.000 0.951 62 R CB -0.230 30.174 30.300 0.173 0.000 0.851 62 R HN 0.552 nan 8.270 nan 0.000 0.434 63 E N -0.424 119.771 120.200 -0.010 0.000 2.058 63 E HA -0.253 4.097 4.350 -0.001 0.000 0.194 63 E C 1.785 178.303 176.600 -0.137 0.000 0.997 63 E CA 1.513 57.919 56.400 0.010 0.000 0.801 63 E CB -0.294 29.496 29.700 0.150 0.000 0.746 63 E HN 0.389 nan 8.360 nan 0.000 0.450 64 F N 1.427 121.061 119.950 -0.528 0.000 2.095 64 F HA -0.171 4.356 4.527 -0.001 0.000 0.298 64 F C 1.852 177.379 175.800 -0.455 0.000 1.104 64 F CA 1.487 58.915 58.000 -0.953 0.000 1.232 64 F CB -0.330 38.082 39.000 -0.980 0.000 0.987 64 F HN 0.016 nan 8.300 nan 0.000 0.475 65 L N -0.149 120.672 121.223 -0.670 0.000 2.217 65 L HA -0.067 4.272 4.340 -0.001 0.000 0.211 65 L C 2.548 179.122 176.870 -0.494 0.000 1.107 65 L CA 0.768 55.157 54.840 -0.751 0.000 0.783 65 L CB -0.543 41.108 42.059 -0.679 0.000 0.919 65 L HN 0.063 nan 8.230 nan 0.000 0.442 66 R N -1.201 119.104 120.500 -0.325 0.000 2.148 66 R HA -0.160 4.179 4.340 -0.001 0.000 0.223 66 R C 2.076 178.348 176.300 -0.048 0.000 1.088 66 R CA 1.107 57.102 56.100 -0.176 0.000 0.985 66 R CB -0.139 30.110 30.300 -0.085 0.000 0.880 66 R HN 0.290 nan 8.270 nan 0.000 0.451 67 Y N 0.644 120.833 120.300 -0.185 0.000 2.347 67 Y HA -0.046 4.504 4.550 -0.001 0.000 0.294 67 Y C 1.898 177.727 175.900 -0.120 0.000 1.117 67 Y CA 0.592 58.650 58.100 -0.069 0.000 1.184 67 Y CB -0.105 38.355 38.460 0.001 0.000 1.047 67 Y HN -0.092 nan 8.280 nan 0.000 0.546 68 L N 0.169 121.112 121.223 -0.467 0.000 2.056 68 L HA 0.025 4.364 4.340 -0.001 0.000 0.207 68 L C 0.197 176.826 176.870 -0.401 0.000 1.078 68 L CA 1.437 55.952 54.840 -0.541 0.000 0.749 68 L CB -0.326 41.231 42.059 -0.835 0.000 0.901 68 L HN 0.093 nan 8.230 nan 0.000 0.433 69 L N -1.877 119.091 121.223 -0.425 0.000 2.334 69 L HA 0.441 4.780 4.340 -0.001 0.000 0.272 69 L C 1.219 177.704 176.870 -0.642 0.000 1.020 69 L CA -0.072 54.493 54.840 -0.459 0.000 0.812 69 L CB 1.420 43.209 42.059 -0.452 0.000 1.264 69 L HN -0.056 nan 8.230 nan 0.000 0.439 70 A N 1.385 123.736 122.820 -0.781 0.000 1.975 70 A HA -0.018 4.301 4.320 -0.001 0.000 0.215 70 A C 1.066 177.911 177.584 -1.232 0.000 1.170 70 A CA 0.610 51.806 52.037 -1.402 0.000 0.656 70 A CB -0.270 18.201 19.000 -0.881 0.000 0.821 70 A HN 0.760 nan 8.150 nan 0.000 0.449 71 N N 0.532 118.756 118.700 -0.795 0.000 2.347 71 N HA 0.146 4.885 4.740 -0.001 0.000 0.253 71 N C -1.380 173.823 175.510 -0.513 0.000 1.274 71 N CA -0.081 52.603 53.050 -0.610 0.000 0.941 71 N CB 0.623 38.810 38.487 -0.500 0.000 1.200 71 N HN 0.163 nan 8.380 nan 0.000 0.514 72 D N 0.428 120.610 120.400 -0.363 0.000 2.453 72 D HA 0.140 4.779 4.640 -0.001 0.000 0.238 72 D C 1.027 177.203 176.300 -0.206 0.000 1.088 72 D CA -0.590 53.248 54.000 -0.269 0.000 0.854 72 D CB 0.841 41.524 40.800 -0.194 0.000 1.076 72 D HN 0.268 nan 8.370 nan 0.000 0.533 73 V N 2.432 122.221 119.914 -0.208 0.000 3.078 73 V HA 0.017 4.137 4.120 -0.001 0.000 0.265 73 V C 1.909 177.958 176.094 -0.075 0.000 1.122 73 V CA 1.402 63.626 62.300 -0.128 0.000 1.141 73 V CB -0.897 30.830 31.823 -0.160 0.000 0.735 73 V HN 0.487 nan 8.190 nan 0.000 0.498 74 A N 0.556 123.321 122.820 -0.092 0.000 2.186 74 A HA -0.134 4.186 4.320 -0.001 0.000 0.219 74 A C 2.198 179.722 177.584 -0.100 0.000 1.159 74 A CA 1.788 53.781 52.037 -0.073 0.000 0.680 74 A CB -0.549 18.422 19.000 -0.048 0.000 0.787 74 A HN 0.648 nan 8.150 nan 0.000 0.467 75 K N -0.623 119.712 120.400 -0.108 0.000 2.432 75 K HA 0.144 4.463 4.320 -0.001 0.000 0.196 75 K C -0.297 176.219 176.600 -0.140 0.000 1.038 75 K CA 0.203 56.427 56.287 -0.105 0.000 0.986 75 K CB -0.107 32.335 32.500 -0.096 0.000 0.782 75 K HN 0.448 nan 8.250 nan 0.000 0.485 76 L N 1.749 122.854 121.223 -0.196 0.000 2.268 76 L HA 0.134 4.473 4.340 -0.001 0.000 0.289 76 L C 0.853 177.341 176.870 -0.637 0.000 1.064 76 L CA -0.246 54.412 54.840 -0.303 0.000 0.824 76 L CB 0.856 42.795 42.059 -0.201 0.000 1.202 76 L HN 0.124 nan 8.230 nan 0.000 0.433 77 T N -1.815 112.502 114.554 -0.396 0.000 3.016 77 T HA 0.200 4.549 4.350 -0.001 0.000 0.271 77 T C 0.523 175.217 174.700 -0.010 0.000 0.968 77 T CA -0.399 61.498 62.100 -0.340 0.000 0.891 77 T CB 0.256 69.048 68.868 -0.126 0.000 1.149 77 T HN 0.295 nan 8.240 nan 0.000 0.524 78 K N 2.076 122.552 120.400 0.127 0.000 2.185 78 K HA 0.596 4.916 4.320 -0.001 0.000 0.269 78 K C -0.165 176.746 176.600 0.518 0.000 0.987 78 K CA -0.404 56.087 56.287 0.340 0.000 0.865 78 K CB 1.712 34.468 32.500 0.426 0.000 1.090 78 K HN 0.103 nan 8.250 nan 0.000 0.450 79 S N 1.551 117.513 115.700 0.438 0.000 2.544 79 S HA 0.239 4.709 4.470 -0.001 0.000 0.290 79 S C 1.201 176.050 174.600 0.416 0.000 1.276 79 S CA 1.313 59.696 58.200 0.305 0.000 1.075 79 S CB -0.244 63.056 63.200 0.167 0.000 0.849 79 S HN 0.866 nan 8.310 nan 0.000 0.494 80 G N 3.547 112.560 108.800 0.356 0.000 2.234 80 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.235 80 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.235 80 G C 0.074 175.177 174.900 0.338 0.000 0.997 80 G CA 0.336 45.730 45.100 0.490 0.000 0.623 80 G HN 0.833 nan 8.290 nan 0.000 0.514 81 K N 1.531 121.958 120.400 0.044 0.000 2.326 81 K HA 0.705 5.024 4.320 -0.001 0.000 0.275 81 K C 0.388 176.843 176.600 -0.242 0.000 1.018 81 K CA 0.750 56.707 56.287 -0.550 0.000 0.962 81 K CB 0.813 33.025 32.500 -0.479 0.000 0.953 81 K HN 0.997 nan 8.250 nan 0.000 0.475 82 A N 3.403 126.052 122.820 -0.286 0.000 2.384 82 A HA 0.778 5.097 4.320 -0.001 0.000 0.312 82 A C -1.502 176.091 177.584 0.015 0.000 1.113 82 A CA -0.808 51.058 52.037 -0.286 0.000 0.779 82 A CB 0.676 19.240 19.000 -0.727 0.000 1.307 82 A HN 0.631 nan 8.150 nan 0.000 0.436 83 L N -1.720 119.503 121.223 -0.001 0.000 2.341 83 L HA 0.820 5.160 4.340 -0.001 0.000 0.254 83 L C -0.795 176.159 176.870 0.140 0.000 1.040 83 L CA -0.960 53.921 54.840 0.068 0.000 0.837 83 L CB 1.028 43.039 42.059 -0.081 0.000 1.425 83 L HN 0.667 nan 8.230 nan 0.000 0.414 84 Y N 0.037 120.293 120.300 -0.073 0.000 2.360 84 Y HA 0.802 5.352 4.550 -0.001 0.000 0.337 84 Y C -0.387 175.343 175.900 -0.284 0.000 1.039 84 Y CA -0.439 57.605 58.100 -0.092 0.000 1.109 84 Y CB 1.751 40.196 38.460 -0.026 0.000 1.201 84 Y HN 0.911 nan 8.280 nan 0.000 0.458 85 S N 3.578 118.868 115.700 -0.683 0.000 2.536 85 S HA 0.673 5.142 4.470 -0.001 0.000 0.271 85 S C -0.611 173.577 174.600 -0.688 0.000 1.134 85 S CA -0.265 57.516 58.200 -0.697 0.000 0.897 85 S CB 0.811 63.720 63.200 -0.485 0.000 1.094 85 S HN 1.235 nan 8.310 nan 0.000 0.473 86 G N 2.367 110.778 108.800 -0.647 0.000 2.527 86 G HA2 0.503 4.463 3.960 -0.001 0.000 0.248 86 G HA3 0.503 4.463 3.960 -0.001 0.000 0.248 86 G C -0.548 174.106 174.900 -0.409 0.000 1.231 86 G CA -0.361 44.458 45.100 -0.470 0.000 0.838 86 G HN 0.718 nan 8.290 nan 0.000 0.570 87 M N 2.114 121.506 119.600 -0.346 0.000 2.190 87 M HA 0.574 5.053 4.480 -0.001 0.000 0.312 87 M C -1.305 174.775 176.300 -0.367 0.000 0.990 87 M CA -0.598 54.496 55.300 -0.343 0.000 0.927 87 M CB 1.142 33.545 32.600 -0.328 0.000 1.571 87 M HN 0.312 nan 8.290 nan 0.000 0.427 88 L N 3.284 124.316 121.223 -0.319 0.000 2.323 88 L HA 0.601 4.940 4.340 -0.001 0.000 0.265 88 L C -0.290 176.387 176.870 -0.322 0.000 1.012 88 L CA -1.219 53.454 54.840 -0.279 0.000 0.820 88 L CB 2.034 44.011 42.059 -0.137 0.000 1.334 88 L HN 0.752 nan 8.230 nan 0.000 0.427 89 N N 0.412 118.922 118.700 -0.316 0.000 2.413 89 N HA 0.288 5.027 4.740 -0.001 0.000 0.266 89 N C 0.417 175.940 175.510 0.021 0.000 1.238 89 N CA -0.198 52.776 53.050 -0.127 0.000 0.972 89 N CB 0.865 39.260 38.487 -0.155 0.000 1.210 89 N HN 0.644 nan 8.380 nan 0.000 0.547 90 A N -0.786 122.103 122.820 0.116 0.000 2.239 90 A HA -0.024 4.295 4.320 -0.001 0.000 0.209 90 A C 1.729 179.338 177.584 0.042 0.000 1.171 90 A CA 0.867 52.948 52.037 0.073 0.000 0.768 90 A CB -1.306 17.758 19.000 0.106 0.000 0.790 90 A HN 0.780 nan 8.150 nan 0.000 0.478 91 S N -1.965 113.755 115.700 0.033 0.000 2.522 91 S HA 0.324 4.793 4.470 -0.001 0.000 0.227 91 S C 1.569 176.176 174.600 0.011 0.000 0.986 91 S CA 1.180 59.393 58.200 0.021 0.000 0.929 91 S CB -0.261 62.950 63.200 0.018 0.000 0.769 91 S HN 1.772 nan 8.310 nan 0.000 0.529 92 G N 0.425 109.224 108.800 -0.001 0.000 2.217 92 G HA2 -0.135 3.825 3.960 -0.001 0.000 0.246 92 G HA3 -0.135 3.825 3.960 -0.001 0.000 0.246 92 G C 0.496 175.376 174.900 -0.033 0.000 0.990 92 G CA -0.086 45.011 45.100 -0.004 0.000 0.627 92 G HN 1.150 nan 8.290 nan 0.000 0.522 93 G N -0.348 108.427 108.800 -0.042 0.000 2.491 93 G HA2 0.524 4.484 3.960 -0.001 0.000 0.242 93 G HA3 0.524 4.484 3.960 -0.001 0.000 0.242 93 G C 0.213 175.058 174.900 -0.091 0.000 1.266 93 G CA 0.405 45.472 45.100 -0.054 0.000 0.844 93 G HN 1.018 nan 8.290 nan 0.000 0.571 94 V N 3.395 123.274 119.914 -0.058 0.000 2.406 94 V HA 0.129 4.248 4.120 -0.001 0.000 0.272 94 V C 1.201 177.320 176.094 0.040 0.000 1.043 94 V CA -0.183 62.098 62.300 -0.032 0.000 0.915 94 V CB 1.030 32.876 31.823 0.038 0.000 0.988 94 V HN 0.707 nan 8.190 nan 0.000 0.466 95 I N 2.077 122.539 120.570 -0.180 0.000 2.400 95 I HA 0.117 4.287 4.170 -0.001 0.000 0.248 95 I C 0.701 176.561 176.117 -0.429 0.000 1.109 95 I CA 1.162 62.277 61.300 -0.309 0.000 1.425 95 I CB 0.254 37.856 38.000 -0.664 0.000 1.094 95 I HN 0.615 nan 8.210 nan 0.000 0.425 96 D N -0.307 119.867 120.400 -0.377 0.000 2.622 96 D HA 0.189 4.829 4.640 -0.001 0.000 0.255 96 D C -1.749 174.418 176.300 -0.222 0.000 1.246 96 D CA -0.623 53.093 54.000 -0.474 0.000 0.795 96 D CB 1.285 41.810 40.800 -0.459 0.000 1.369 96 D HN -0.020 nan 8.370 nan 0.000 0.425 97 N N 1.198 119.828 118.700 -0.116 0.000 2.421 97 N HA 0.574 5.313 4.740 -0.001 0.000 0.285 97 N C -0.638 174.820 175.510 -0.087 0.000 1.027 97 N CA -0.499 52.467 53.050 -0.139 0.000 0.918 97 N CB 1.498 40.020 38.487 0.057 0.000 1.152 97 N HN 0.378 nan 8.380 nan 0.000 0.485 98 L N -1.528 119.596 121.223 -0.164 0.000 2.322 98 L HA 0.737 5.076 4.340 -0.001 0.000 0.252 98 L C -0.759 176.125 176.870 0.023 0.000 1.055 98 L CA -1.136 53.675 54.840 -0.048 0.000 0.849 98 L CB 0.918 42.916 42.059 -0.102 0.000 1.446 98 L HN 0.408 nan 8.230 nan 0.000 0.416 99 I N 1.368 121.964 120.570 0.044 0.000 2.441 99 I HA 0.663 4.833 4.170 -0.001 0.000 0.295 99 I C -0.838 175.228 176.117 -0.086 0.000 0.994 99 I CA -1.074 60.231 61.300 0.008 0.000 1.144 99 I CB 2.027 40.008 38.000 -0.031 0.000 1.314 99 I HN 0.541 nan 8.210 nan 0.000 0.445 100 V N 7.440 127.255 119.914 -0.165 0.000 2.588 100 V HA 0.496 4.616 4.120 -0.001 0.000 0.304 100 V C -1.495 174.447 176.094 -0.254 0.000 1.042 100 V CA -0.294 61.937 62.300 -0.114 0.000 0.877 100 V CB 1.743 33.526 31.823 -0.067 0.000 0.996 100 V HN 0.511 nan 8.190 nan 0.000 0.425 101 Y N 5.808 126.040 120.300 -0.114 0.000 2.360 101 Y HA 0.518 5.067 4.550 -0.001 0.000 0.337 101 Y C -0.391 175.154 175.900 -0.592 0.000 1.039 101 Y CA -0.440 57.453 58.100 -0.346 0.000 1.109 101 Y CB 1.631 39.778 38.460 -0.522 0.000 1.201 101 Y HN 0.763 nan 8.280 nan 0.000 0.458 102 Y N 3.364 123.333 120.300 -0.552 0.000 2.328 102 Y HA 0.383 4.932 4.550 -0.001 0.000 0.337 102 Y C -0.808 174.579 175.900 -0.855 0.000 1.008 102 Y CA -1.062 56.514 58.100 -0.874 0.000 1.129 102 Y CB 0.392 38.568 38.460 -0.473 0.000 1.185 102 Y HN 0.590 nan 8.280 nan 0.000 0.476 103 F N 1.573 120.847 119.950 -1.126 0.000 2.490 103 F HA 0.243 4.769 4.527 -0.001 0.000 0.280 103 F C 1.028 176.212 175.800 -1.026 0.000 1.030 103 F CA 0.695 58.159 58.000 -0.893 0.000 1.367 103 F CB -0.189 38.298 39.000 -0.855 0.000 1.131 103 F HN 0.498 nan 8.300 nan 0.000 0.632 104 T N -3.471 110.564 114.554 -0.866 0.000 2.787 104 T HA 0.273 4.623 4.350 -0.001 0.000 0.297 104 T C 0.574 175.054 174.700 -0.367 0.000 1.221 104 T CA -0.618 61.168 62.100 -0.523 0.000 1.006 104 T CB 1.864 70.697 68.868 -0.058 0.000 1.328 104 T HN -0.084 nan 8.240 nan 0.000 0.509 105 E N 0.403 120.672 120.200 0.115 0.000 2.209 105 E HA -0.094 4.255 4.350 -0.001 0.000 0.196 105 E C 0.309 177.159 176.600 0.418 0.000 0.993 105 E CA 1.265 57.883 56.400 0.365 0.000 0.819 105 E CB -0.086 29.789 29.700 0.291 0.000 0.745 105 E HN 0.588 nan 8.360 nan 0.000 0.477 106 D N -1.064 119.507 120.400 0.284 0.000 2.462 106 D HA 0.083 4.723 4.640 -0.001 0.000 0.221 106 D C -0.683 175.855 176.300 0.396 0.000 1.173 106 D CA -0.084 54.107 54.000 0.317 0.000 0.831 106 D CB 0.207 41.130 40.800 0.205 0.000 1.001 106 D HN -0.045 nan 8.370 nan 0.000 0.499 107 F N 1.274 121.299 119.950 0.124 0.000 2.787 107 F HA 0.421 4.948 4.527 -0.001 0.000 0.340 107 F C -2.116 173.654 175.800 -0.049 0.000 1.232 107 F CA -1.505 56.567 58.000 0.121 0.000 1.051 107 F CB 0.233 39.285 39.000 0.086 0.000 1.330 107 F HN -0.341 nan 8.300 nan 0.000 0.522 108 F N 4.396 124.444 119.950 0.164 0.000 2.593 108 F HA 0.691 5.218 4.527 -0.001 0.000 0.320 108 F C -0.330 175.436 175.800 -0.057 0.000 1.060 108 F CA -0.915 56.991 58.000 -0.156 0.000 0.940 108 F CB 2.133 41.123 39.000 -0.016 0.000 1.268 108 F HN 0.460 nan 8.300 nan 0.000 0.475 109 R N 2.110 122.620 120.500 0.016 0.000 2.621 109 R HA 0.781 5.121 4.340 -0.001 0.000 0.292 109 R C -2.145 174.259 176.300 0.174 0.000 0.969 109 R CA -0.535 55.649 56.100 0.140 0.000 0.887 109 R CB 1.366 31.727 30.300 0.102 0.000 1.180 109 R HN 0.758 nan 8.270 nan 0.000 0.450 110 L N 3.651 124.961 121.223 0.146 0.000 2.334 110 L HA 0.632 4.972 4.340 -0.001 0.000 0.273 110 L C -0.765 176.168 176.870 0.106 0.000 1.013 110 L CA -1.298 53.604 54.840 0.103 0.000 0.816 110 L CB 2.163 44.258 42.059 0.061 0.000 1.278 110 L HN 0.328 nan 8.230 nan 0.000 0.431 111 V N 2.955 122.926 119.914 0.096 0.000 2.483 111 V HA 0.527 4.647 4.120 -0.001 0.000 0.297 111 V C -0.158 175.943 176.094 0.011 0.000 1.027 111 V CA -0.618 61.727 62.300 0.076 0.000 0.855 111 V CB 2.132 34.039 31.823 0.141 0.000 0.995 111 V HN 0.550 nan 8.190 nan 0.000 0.424 112 V N 2.210 122.109 119.914 -0.024 0.000 3.046 112 V HA 0.718 4.838 4.120 -0.001 0.000 0.316 112 V C -0.102 175.920 176.094 -0.119 0.000 1.104 112 V CA -1.032 61.224 62.300 -0.073 0.000 1.006 112 V CB 2.188 33.965 31.823 -0.076 0.000 1.058 112 V HN 0.699 nan 8.190 nan 0.000 0.440 113 N N 1.249 119.854 118.700 -0.158 0.000 2.444 113 N HA 0.170 4.910 4.740 -0.001 0.000 0.255 113 N C 1.244 176.633 175.510 -0.203 0.000 1.255 113 N CA 0.487 53.419 53.050 -0.196 0.000 0.933 113 N CB 1.528 39.914 38.487 -0.168 0.000 1.143 113 N HN 0.872 nan 8.380 nan 0.000 0.453 114 S N 0.993 116.533 115.700 -0.267 0.000 2.356 114 S HA -0.136 4.334 4.470 -0.001 0.000 0.223 114 S C 1.762 176.319 174.600 -0.071 0.000 1.032 114 S CA 1.532 59.634 58.200 -0.163 0.000 1.005 114 S CB -0.150 62.933 63.200 -0.194 0.000 0.867 114 S HN 0.679 nan 8.310 nan 0.000 0.449 115 A N 0.264 122.933 122.820 -0.251 0.000 2.014 115 A HA -0.012 4.307 4.320 -0.001 0.000 0.218 115 A C 2.120 179.564 177.584 -0.233 0.000 1.163 115 A CA 1.869 53.645 52.037 -0.434 0.000 0.652 115 A CB -0.778 17.689 19.000 -0.889 0.000 0.808 115 A HN 0.693 nan 8.150 nan 0.000 0.449 116 T N -3.470 110.951 114.554 -0.221 0.000 3.069 116 T HA 0.155 4.505 4.350 -0.001 0.000 0.252 116 T C 1.554 176.176 174.700 -0.130 0.000 1.053 116 T CA 0.346 62.310 62.100 -0.226 0.000 0.964 116 T CB -0.049 68.565 68.868 -0.424 0.000 1.005 116 T HN 0.488 nan 8.240 nan 0.000 0.532 117 R N 1.644 122.106 120.500 -0.064 0.000 2.115 117 R HA -0.194 4.146 4.340 -0.001 0.000 0.239 117 R C 1.978 178.288 176.300 0.017 0.000 1.133 117 R CA 2.076 58.173 56.100 -0.004 0.000 0.935 117 R CB -0.217 30.124 30.300 0.067 0.000 0.853 117 R HN 0.272 nan 8.270 nan 0.000 0.433 118 E N 0.598 120.814 120.200 0.027 0.000 2.072 118 E HA -0.188 4.161 4.350 -0.001 0.000 0.191 118 E C 1.876 178.505 176.600 0.049 0.000 0.985 118 E CA 1.109 57.534 56.400 0.041 0.000 0.801 118 E CB -0.261 29.461 29.700 0.037 0.000 0.750 118 E HN 0.404 nan 8.360 nan 0.000 0.452 119 K N 0.824 121.240 120.400 0.027 0.000 2.032 119 K HA -0.199 4.120 4.320 -0.001 0.000 0.209 119 K C 1.531 178.179 176.600 0.080 0.000 1.048 119 K CA 1.884 58.197 56.287 0.043 0.000 0.927 119 K CB 0.025 32.513 32.500 -0.019 0.000 0.712 119 K HN -0.084 nan 8.250 nan 0.000 0.441 120 D N 0.683 121.094 120.400 0.018 0.000 2.117 120 D HA -0.115 4.524 4.640 -0.001 0.000 0.198 120 D C 1.987 178.378 176.300 0.152 0.000 0.982 120 D CA 0.915 54.942 54.000 0.046 0.000 0.828 120 D CB -0.128 40.651 40.800 -0.036 0.000 0.967 120 D HN 0.208 nan 8.370 nan 0.000 0.464 121 L N 0.456 121.744 121.223 0.108 0.000 2.042 121 L HA -0.168 4.172 4.340 -0.001 0.000 0.210 121 L C 2.410 179.366 176.870 0.144 0.000 1.076 121 L CA 0.972 55.883 54.840 0.117 0.000 0.749 121 L CB -0.366 41.743 42.059 0.082 0.000 0.893 121 L HN -0.024 nan 8.230 nan 0.000 0.432 122 S N -1.124 114.666 115.700 0.150 0.000 2.368 122 S HA -0.199 4.270 4.470 -0.001 0.000 0.224 122 S C 1.593 176.323 174.600 0.217 0.000 1.029 122 S CA 1.000 59.289 58.200 0.148 0.000 0.988 122 S CB -0.377 62.903 63.200 0.134 0.000 0.838 122 S HN 0.529 nan 8.310 nan 0.000 0.462 123 W N 2.080 123.444 121.300 0.106 0.000 2.358 123 W HA -0.107 4.553 4.660 -0.001 0.000 0.303 123 W C 1.667 178.365 176.519 0.298 0.000 1.208 123 W CA 1.112 58.575 57.345 0.196 0.000 1.274 123 W CB -0.385 29.124 29.460 0.082 0.000 1.138 123 W HN 0.271 nan 8.180 nan 0.000 0.515 124 I N 0.874 121.669 120.570 0.373 0.000 2.233 124 I HA -0.312 3.858 4.170 -0.001 0.000 0.243 124 I C 2.663 178.898 176.117 0.196 0.000 1.093 124 I CA 2.027 63.532 61.300 0.343 0.000 1.380 124 I CB -0.865 37.316 38.000 0.302 0.000 1.067 124 I HN -0.080 nan 8.210 nan 0.000 0.413 125 T N -1.339 113.284 114.554 0.114 0.000 2.788 125 T HA -0.280 4.069 4.350 -0.001 0.000 0.268 125 T C 1.785 176.469 174.700 -0.026 0.000 1.044 125 T CA 1.468 63.583 62.100 0.024 0.000 1.139 125 T CB -0.497 68.386 68.868 0.024 0.000 0.867 125 T HN 0.417 nan 8.240 nan 0.000 0.454 126 Q N 0.416 120.193 119.800 -0.039 0.000 2.046 126 Q HA -0.201 4.138 4.340 -0.001 0.000 0.200 126 Q C 2.181 178.041 176.000 -0.232 0.000 0.975 126 Q CA 1.715 57.418 55.803 -0.166 0.000 0.836 126 Q CB -0.262 28.325 28.738 -0.251 0.000 0.896 126 Q HN 0.771 nan 8.270 nan 0.000 0.428 127 H N -0.604 118.389 119.070 -0.130 0.000 2.462 127 H HA 0.109 4.665 4.556 -0.001 0.000 0.292 127 H C 1.730 177.144 175.328 0.143 0.000 1.049 127 H CA 1.177 57.249 56.048 0.039 0.000 1.334 127 H CB 0.070 29.866 29.762 0.057 0.000 1.404 127 H HN 0.440 nan 8.280 nan 0.000 0.544 128 A N 0.567 123.329 122.820 -0.096 0.000 2.016 128 A HA -0.146 4.173 4.320 -0.001 0.000 0.217 128 A C 2.136 179.619 177.584 -0.168 0.000 1.162 128 A CA 1.215 52.845 52.037 -0.678 0.000 0.662 128 A CB -0.292 18.181 19.000 -0.879 0.000 0.812 128 A HN 0.526 nan 8.150 nan 0.000 0.450 129 E N 0.420 120.559 120.200 -0.102 0.000 2.065 129 E HA -0.213 4.137 4.350 -0.001 0.000 0.201 129 E C -0.672 175.872 176.600 -0.093 0.000 1.016 129 E CA 1.957 58.303 56.400 -0.089 0.000 0.818 129 E CB -0.690 28.955 29.700 -0.091 0.000 0.749 129 E HN 0.492 nan 8.360 nan 0.000 0.453 130 P HA -0.134 nan 4.420 nan 0.000 0.225 130 P C 0.513 177.594 177.300 -0.364 0.000 1.148 130 P CA 1.105 64.038 63.100 -0.277 0.000 0.779 130 P CB -0.209 31.246 31.700 -0.408 0.000 0.780 131 F N -0.287 119.588 119.950 -0.126 0.000 2.811 131 F HA 0.307 4.833 4.527 -0.001 0.000 0.301 131 F C 1.722 177.466 175.800 -0.093 0.000 1.151 131 F CA 0.596 58.538 58.000 -0.098 0.000 1.412 131 F CB -0.941 37.994 39.000 -0.108 0.000 1.113 131 F HN -0.027 nan 8.300 nan 0.000 0.579 132 G N 1.893 110.702 108.800 0.016 0.000 2.323 132 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.292 132 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.292 132 G C -0.037 174.872 174.900 0.014 0.000 1.040 132 G CA -0.097 45.002 45.100 -0.000 0.000 0.942 132 G HN 0.367 nan 8.290 nan 0.000 0.506 133 I N -0.326 120.238 120.570 -0.011 0.000 2.428 133 I HA 0.314 4.484 4.170 -0.001 0.000 0.296 133 I C 0.740 176.851 176.117 -0.009 0.000 0.985 133 I CA -0.676 60.621 61.300 -0.005 0.000 1.260 133 I CB 1.588 39.546 38.000 -0.070 0.000 1.389 133 I HN 0.232 nan 8.210 nan 0.000 0.484 134 E N 6.391 126.600 120.200 0.014 0.000 2.180 134 E HA 0.361 4.710 4.350 -0.001 0.000 0.283 134 E C -1.123 175.493 176.600 0.026 0.000 1.061 134 E CA -0.346 56.057 56.400 0.006 0.000 0.861 134 E CB 0.663 30.359 29.700 -0.007 0.000 1.056 134 E HN 0.396 nan 8.360 nan 0.000 0.407 135 I N 4.154 124.736 120.570 0.019 0.000 2.355 135 I HA 0.216 4.386 4.170 -0.001 0.000 0.288 135 I C -0.475 175.668 176.117 0.042 0.000 0.999 135 I CA -0.459 60.867 61.300 0.043 0.000 1.163 135 I CB 2.033 40.051 38.000 0.029 0.000 1.316 135 I HN 0.366 nan 8.210 nan 0.000 0.454 136 T N 5.521 120.111 114.554 0.060 0.000 2.786 136 T HA 0.388 4.737 4.350 -0.001 0.000 0.283 136 T C -0.159 174.575 174.700 0.057 0.000 0.992 136 T CA -0.503 61.624 62.100 0.045 0.000 0.954 136 T CB 1.730 70.616 68.868 0.030 0.000 0.934 136 T HN 0.133 nan 8.240 nan 0.000 0.440 137 V N 5.015 124.959 119.914 0.049 0.000 2.408 137 V HA 0.277 4.396 4.120 -0.001 0.000 0.267 137 V C 0.812 176.935 176.094 0.049 0.000 1.047 137 V CA -0.690 61.643 62.300 0.055 0.000 0.937 137 V CB 0.473 32.330 31.823 0.057 0.000 0.999 137 V HN 0.670 nan 8.190 nan 0.000 0.472 138 R N 2.979 123.507 120.500 0.047 0.000 4.680 138 R HA 0.165 4.505 4.340 -0.001 0.000 0.222 138 R C 0.229 176.560 176.300 0.051 0.000 1.803 138 R CA -0.193 55.929 56.100 0.037 0.000 1.560 138 R CB -0.351 29.959 30.300 0.018 0.000 1.412 138 R HN 0.617 nan 8.270 nan 0.000 0.815 139 D N 0.694 121.133 120.400 0.064 0.000 2.371 139 D HA -0.114 4.525 4.640 -0.001 0.000 0.221 139 D C 1.118 177.468 176.300 0.083 0.000 0.986 139 D CA 0.789 54.843 54.000 0.090 0.000 0.899 139 D CB 0.240 41.100 40.800 0.100 0.000 0.902 139 D HN 0.436 nan 8.370 nan 0.000 0.530 140 D N -0.133 120.302 120.400 0.059 0.000 2.378 140 D HA -0.108 4.531 4.640 -0.001 0.000 0.227 140 D C 0.540 176.871 176.300 0.052 0.000 1.012 140 D CA 0.165 54.195 54.000 0.050 0.000 0.905 140 D CB 0.288 41.105 40.800 0.030 0.000 0.895 140 D HN 0.212 nan 8.370 nan 0.000 0.532 141 L N 0.655 121.912 121.223 0.058 0.000 2.329 141 L HA 0.310 4.650 4.340 -0.001 0.000 0.279 141 L C 0.210 177.132 176.870 0.087 0.000 1.014 141 L CA -0.639 54.237 54.840 0.060 0.000 0.814 141 L CB 2.086 44.168 42.059 0.039 0.000 1.257 141 L HN -0.163 nan 8.230 nan 0.000 0.424 142 S N 2.563 118.327 115.700 0.106 0.000 2.758 142 S HA 0.762 5.232 4.470 -0.001 0.000 0.292 142 S C -0.614 174.081 174.600 0.158 0.000 1.131 142 S CA -0.638 57.642 58.200 0.133 0.000 0.997 142 S CB 1.869 65.156 63.200 0.146 0.000 1.111 142 S HN 0.592 nan 8.310 nan 0.000 0.552 143 M N 1.660 121.377 119.600 0.196 0.000 2.333 143 M HA 0.487 4.966 4.480 -0.001 0.000 0.286 143 M C -2.384 174.089 176.300 0.289 0.000 1.113 143 M CA -0.100 55.338 55.300 0.231 0.000 0.959 143 M CB 1.037 33.750 32.600 0.188 0.000 1.776 143 M HN 0.573 nan 8.290 nan 0.000 0.492 144 I N 3.411 124.188 120.570 0.345 0.000 2.465 144 I HA 0.682 4.851 4.170 -0.001 0.000 0.291 144 I C -0.264 176.063 176.117 0.350 0.000 1.014 144 I CA -0.833 60.700 61.300 0.388 0.000 1.093 144 I CB 2.141 40.394 38.000 0.422 0.000 1.267 144 I HN 0.776 nan 8.210 nan 0.000 0.431 145 A N 6.655 129.698 122.820 0.371 0.000 2.260 145 A HA 0.720 5.039 4.320 -0.001 0.000 0.314 145 A C -0.590 177.197 177.584 0.340 0.000 1.257 145 A CA -0.438 51.809 52.037 0.350 0.000 0.871 145 A CB 0.690 19.894 19.000 0.340 0.000 1.166 145 A HN 0.454 nan 8.150 nan 0.000 0.522 146 V N 4.196 124.256 119.914 0.244 0.000 2.384 146 V HA 0.503 4.622 4.120 -0.001 0.000 0.287 146 V C -0.471 175.681 176.094 0.096 0.000 1.020 146 V CA -0.483 61.890 62.300 0.121 0.000 0.850 146 V CB 1.121 32.993 31.823 0.082 0.000 0.987 146 V HN 0.927 nan 8.190 nan 0.000 0.436 147 Q N 2.614 122.457 119.800 0.072 0.000 2.345 147 Q HA 0.778 5.118 4.340 -0.001 0.000 0.275 147 Q C -0.066 175.931 176.000 -0.004 0.000 1.063 147 Q CA -0.275 55.571 55.803 0.073 0.000 0.819 147 Q CB 2.891 31.758 28.738 0.216 0.000 1.356 147 Q HN 1.135 nan 8.270 nan 0.000 0.418 148 G N 1.807 110.583 108.800 -0.041 0.000 2.357 148 G HA2 -0.024 3.936 3.960 -0.001 0.000 0.643 148 G HA3 -0.024 3.936 3.960 -0.001 0.000 0.643 148 G C -2.548 172.294 174.900 -0.097 0.000 1.358 148 G CA -0.628 44.425 45.100 -0.080 0.000 0.986 148 G HN 0.333 nan 8.290 nan 0.000 0.620 149 P HA -0.032 nan 4.420 nan 0.000 0.222 149 P C 0.835 178.075 177.300 -0.100 0.000 1.147 149 P CA 1.033 64.077 63.100 -0.093 0.000 0.790 149 P CB 0.128 31.777 31.700 -0.085 0.000 0.780 150 N N -0.646 117.989 118.700 -0.109 0.000 2.230 150 N HA 0.145 4.884 4.740 -0.001 0.000 0.202 150 N C 1.545 176.977 175.510 -0.129 0.000 1.119 150 N CA 0.262 53.246 53.050 -0.110 0.000 0.851 150 N CB -0.174 38.252 38.487 -0.102 0.000 0.990 150 N HN 0.059 nan 8.380 nan 0.000 0.497 151 A N 1.320 124.056 122.820 -0.140 0.000 1.877 151 A HA -0.191 4.129 4.320 -0.001 0.000 0.216 151 A C 2.134 179.610 177.584 -0.181 0.000 1.186 151 A CA 1.266 53.213 52.037 -0.149 0.000 0.620 151 A CB -0.409 18.514 19.000 -0.129 0.000 0.822 151 A HN 0.257 nan 8.150 nan 0.000 0.443 152 Q N -0.702 118.927 119.800 -0.284 0.000 2.084 152 Q HA -0.109 4.231 4.340 -0.001 0.000 0.202 152 Q C 2.475 178.409 176.000 -0.109 0.000 0.978 152 Q CA 1.347 56.909 55.803 -0.400 0.000 0.844 152 Q CB -0.411 27.975 28.738 -0.586 0.000 0.898 152 Q HN 0.682 nan 8.270 nan 0.000 0.426 153 A N 1.671 124.424 122.820 -0.111 0.000 1.865 153 A HA -0.244 4.075 4.320 -0.001 0.000 0.217 153 A C 1.967 179.478 177.584 -0.121 0.000 1.191 153 A CA 1.732 53.715 52.037 -0.089 0.000 0.623 153 A CB -0.376 18.577 19.000 -0.078 0.000 0.826 153 A HN 0.190 nan 8.150 nan 0.000 0.444 154 K N -0.466 119.856 120.400 -0.130 0.000 2.057 154 K HA -0.044 4.276 4.320 -0.001 0.000 0.207 154 K C 2.304 178.793 176.600 -0.184 0.000 1.049 154 K CA 1.141 57.340 56.287 -0.147 0.000 0.931 154 K CB -0.320 32.089 32.500 -0.151 0.000 0.714 154 K HN 0.448 nan 8.250 nan 0.000 0.440 155 A N 1.379 124.095 122.820 -0.173 0.000 1.930 155 A HA -0.075 4.244 4.320 -0.001 0.000 0.217 155 A C 2.321 179.508 177.584 -0.661 0.000 1.175 155 A CA 1.700 53.608 52.037 -0.214 0.000 0.627 155 A CB -0.622 18.419 19.000 0.069 0.000 0.815 155 A HN 0.327 nan 8.150 nan 0.000 0.443 156 A N -0.105 122.317 122.820 -0.663 0.000 2.070 156 A HA -0.051 4.269 4.320 -0.001 0.000 0.220 156 A C 2.267 179.562 177.584 -0.482 0.000 1.159 156 A CA 2.134 53.603 52.037 -0.945 0.000 0.656 156 A CB -1.310 17.507 19.000 -0.306 0.000 0.800 156 A HN 0.802 nan 8.150 nan 0.000 0.453 157 T N -2.004 112.381 114.554 -0.281 0.000 3.007 157 T HA 0.017 4.367 4.350 -0.001 0.000 0.270 157 T C 1.285 175.937 174.700 -0.080 0.000 1.107 157 T CA 1.402 63.421 62.100 -0.135 0.000 1.118 157 T CB -0.426 68.384 68.868 -0.096 0.000 0.889 157 T HN 0.372 nan 8.240 nan 0.000 0.506 158 L N -0.984 120.175 121.223 -0.106 0.000 2.693 158 L HA 0.440 4.780 4.340 -0.001 0.000 0.235 158 L C 0.183 177.206 176.870 0.255 0.000 1.127 158 L CA -0.650 54.245 54.840 0.093 0.000 0.914 158 L CB -0.132 42.056 42.059 0.215 0.000 1.193 158 L HN 0.105 nan 8.230 nan 0.000 0.502 159 F N 1.655 121.645 119.950 0.067 0.000 2.399 159 F HA 0.166 4.693 4.527 -0.001 0.000 0.313 159 F C 1.057 176.854 175.800 -0.005 0.000 1.202 159 F CA -1.657 56.345 58.000 0.004 0.000 1.192 159 F CB -0.024 38.967 39.000 -0.015 0.000 1.256 159 F HN 0.113 nan 8.300 nan 0.000 0.558 160 N N -0.170 118.637 118.700 0.179 0.000 2.448 160 N HA 0.091 4.830 4.740 -0.001 0.000 0.274 160 N C 0.263 175.823 175.510 0.083 0.000 1.239 160 N CA -0.399 52.704 53.050 0.089 0.000 0.982 160 N CB 0.154 38.657 38.487 0.028 0.000 1.199 160 N HN 0.324 nan 8.380 nan 0.000 0.576 161 D N -0.354 120.074 120.400 0.046 0.000 2.123 161 D HA -0.135 4.505 4.640 -0.001 0.000 0.196 161 D C 1.653 177.961 176.300 0.013 0.000 0.992 161 D CA 2.061 56.083 54.000 0.036 0.000 0.833 161 D CB -0.619 40.193 40.800 0.020 0.000 0.954 161 D HN 0.711 nan 8.370 nan 0.000 0.455 162 A N 0.499 123.310 122.820 -0.015 0.000 1.930 162 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 162 A C 2.144 179.675 177.584 -0.088 0.000 1.175 162 A CA 1.314 53.323 52.037 -0.047 0.000 0.627 162 A CB -0.501 18.465 19.000 -0.057 0.000 0.815 162 A HN 0.201 nan 8.150 nan 0.000 0.443 163 Q N -0.646 119.084 119.800 -0.117 0.000 2.050 163 Q HA -0.135 4.204 4.340 -0.001 0.000 0.202 163 Q C 2.383 178.298 176.000 -0.142 0.000 0.980 163 Q CA 1.606 57.243 55.803 -0.276 0.000 0.840 163 Q CB -0.177 28.263 28.738 -0.496 0.000 0.898 163 Q HN 0.590 nan 8.270 nan 0.000 0.424 164 R N 0.129 120.691 120.500 0.103 0.000 2.091 164 R HA -0.206 4.134 4.340 -0.001 0.000 0.238 164 R C 2.334 178.682 176.300 0.079 0.000 1.136 164 R CA 1.530 57.756 56.100 0.210 0.000 0.959 164 R CB -0.138 30.276 30.300 0.191 0.000 0.856 164 R HN 0.181 nan 8.270 nan 0.000 0.437 165 Q N 0.594 120.408 119.800 0.023 0.000 2.079 165 Q HA -0.086 4.253 4.340 -0.001 0.000 0.200 165 Q C 1.906 177.887 176.000 -0.031 0.000 0.974 165 Q CA 2.013 57.814 55.803 -0.002 0.000 0.840 165 Q CB -0.287 28.443 28.738 -0.013 0.000 0.898 165 Q HN 0.319 nan 8.270 nan 0.000 0.430 166 A N -0.134 122.645 122.820 -0.069 0.000 1.948 166 A HA -0.156 4.163 4.320 -0.001 0.000 0.220 166 A C 1.944 179.472 177.584 -0.094 0.000 1.177 166 A CA 2.106 54.082 52.037 -0.102 0.000 0.636 166 A CB -0.853 18.048 19.000 -0.164 0.000 0.815 166 A HN 0.605 nan 8.150 nan 0.000 0.449 167 V N -2.383 117.489 119.914 -0.070 0.000 3.542 167 V HA 0.242 4.361 4.120 -0.001 0.000 0.296 167 V C 0.483 176.607 176.094 0.050 0.000 1.364 167 V CA 0.176 62.464 62.300 -0.020 0.000 1.118 167 V CB -0.624 31.182 31.823 -0.028 0.000 0.972 167 V HN 0.472 nan 8.190 nan 0.000 0.430 168 E N 1.653 121.871 120.200 0.031 0.000 2.415 168 E HA 0.339 4.689 4.350 -0.001 0.000 0.260 168 E C 1.343 177.952 176.600 0.015 0.000 1.016 168 E CA 0.826 57.249 56.400 0.039 0.000 0.924 168 E CB 0.224 29.937 29.700 0.022 0.000 0.961 168 E HN 0.836 nan 8.360 nan 0.000 0.459 169 G N 4.493 113.312 108.800 0.031 0.000 2.168 169 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.257 169 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.257 169 G C 0.301 175.201 174.900 0.000 0.000 0.997 169 G CA 0.510 45.618 45.100 0.013 0.000 0.708 169 G HN 0.594 nan 8.290 nan 0.000 0.520 170 M N 0.818 120.433 119.600 0.024 0.000 2.246 170 M HA 0.352 4.831 4.480 -0.001 0.000 0.350 170 M C 0.918 177.251 176.300 0.056 0.000 1.406 170 M CA 0.205 55.497 55.300 -0.013 0.000 1.089 170 M CB 0.230 32.857 32.600 0.044 0.000 1.782 170 M HN 0.185 nan 8.290 nan 0.000 0.457 171 K N 5.562 125.972 120.400 0.017 0.000 2.276 171 K HA 0.259 4.579 4.320 -0.001 0.000 0.259 171 K C -2.369 174.465 176.600 0.389 0.000 1.001 171 K CA -1.317 55.087 56.287 0.197 0.000 0.927 171 K CB -0.084 32.548 32.500 0.221 0.000 0.969 171 K HN 0.414 nan 8.250 nan 0.000 0.490 172 P HA -0.093 nan 4.420 nan 0.000 0.267 172 P C -0.619 176.982 177.300 0.502 0.000 1.201 172 P CA 0.282 63.601 63.100 0.365 0.000 0.775 172 P CB 0.136 32.008 31.700 0.287 0.000 0.854 173 F N -1.175 118.877 119.950 0.170 0.000 2.983 173 F HA -0.194 4.332 4.527 -0.001 0.000 0.288 173 F C -0.326 175.449 175.800 -0.042 0.000 0.980 173 F CA 0.943 58.977 58.000 0.056 0.000 0.965 173 F CB -2.039 36.935 39.000 -0.043 0.000 0.967 173 F HN 0.133 nan 8.300 nan 0.000 0.800 174 F N -0.422 119.633 119.950 0.177 0.000 2.588 174 F HA 0.754 5.280 4.527 -0.001 0.000 0.314 174 F C 0.576 176.492 175.800 0.193 0.000 1.069 174 F CA -0.643 57.478 58.000 0.202 0.000 0.931 174 F CB 2.217 41.304 39.000 0.144 0.000 1.260 174 F HN -0.012 nan 8.300 nan 0.000 0.465 175 G N 1.100 110.148 108.800 0.415 0.000 2.617 175 G HA2 0.607 4.566 3.960 -0.001 0.000 0.306 175 G HA3 0.607 4.566 3.960 -0.001 0.000 0.306 175 G C -2.309 172.491 174.900 -0.167 0.000 1.360 175 G CA -0.886 44.123 45.100 -0.153 0.000 0.983 175 G HN 0.665 nan 8.290 nan 0.000 0.496 176 V N 1.375 120.942 119.914 -0.578 0.000 2.888 176 V HA 0.668 4.787 4.120 -0.001 0.000 0.309 176 V C -1.119 174.781 176.094 -0.323 0.000 1.114 176 V CA -0.843 61.297 62.300 -0.266 0.000 0.940 176 V CB 2.207 33.940 31.823 -0.151 0.000 1.021 176 V HN 0.839 nan 8.190 nan 0.000 0.426 177 Q N 4.002 123.738 119.800 -0.107 0.000 2.274 177 Q HA 0.774 5.113 4.340 -0.001 0.000 0.256 177 Q C -0.545 175.366 176.000 -0.148 0.000 0.927 177 Q CA 0.424 56.187 55.803 -0.067 0.000 0.939 177 Q CB 1.605 30.298 28.738 -0.075 0.000 1.201 177 Q HN 1.138 nan 8.270 nan 0.000 0.426 178 A N 3.894 126.601 122.820 -0.188 0.000 2.569 178 A HA 0.694 5.013 4.320 -0.001 0.000 0.282 178 A C 0.355 177.824 177.584 -0.191 0.000 1.165 178 A CA 0.013 51.929 52.037 -0.202 0.000 0.747 178 A CB 0.219 19.053 19.000 -0.277 0.000 1.215 178 A HN 1.161 nan 8.150 nan 0.000 0.431 179 G N 1.961 110.679 108.800 -0.137 0.000 2.574 179 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.286 179 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.286 179 G C 0.431 175.262 174.900 -0.115 0.000 1.212 179 G CA 0.728 45.758 45.100 -0.117 0.000 0.979 179 G HN 0.630 nan 8.290 nan 0.000 0.557 180 D N 0.862 121.190 120.400 -0.119 0.000 2.340 180 D HA 0.215 4.855 4.640 -0.001 0.000 0.220 180 D C 1.013 177.238 176.300 -0.126 0.000 1.039 180 D CA 0.374 54.312 54.000 -0.103 0.000 0.866 180 D CB -0.022 40.726 40.800 -0.087 0.000 0.913 180 D HN 0.321 nan 8.370 nan 0.000 0.523 181 L N 0.640 121.753 121.223 -0.184 0.000 2.295 181 L HA 0.333 4.673 4.340 -0.001 0.000 0.285 181 L C -0.414 176.374 176.870 -0.138 0.000 1.035 181 L CA -0.956 53.755 54.840 -0.214 0.000 0.806 181 L CB 1.452 43.270 42.059 -0.401 0.000 1.214 181 L HN -0.172 nan 8.230 nan 0.000 0.426 182 F N 5.040 124.866 119.950 -0.208 0.000 2.385 182 F HA 0.558 5.085 4.527 -0.001 0.000 0.360 182 F C -0.414 175.275 175.800 -0.186 0.000 1.122 182 F CA -0.466 57.410 58.000 -0.208 0.000 1.090 182 F CB 0.691 39.581 39.000 -0.183 0.000 1.150 182 F HN 0.206 nan 8.300 nan 0.000 0.472 183 I N 6.286 126.403 120.570 -0.754 0.000 2.389 183 I HA 0.615 4.785 4.170 -0.001 0.000 0.288 183 I C -0.572 175.182 176.117 -0.606 0.000 0.999 183 I CA -0.685 60.268 61.300 -0.578 0.000 1.129 183 I CB 1.553 39.162 38.000 -0.651 0.000 1.288 183 I HN 0.729 nan 8.210 nan 0.000 0.444 184 A N 3.288 125.928 122.820 -0.300 0.000 2.371 184 A HA 0.663 4.982 4.320 -0.001 0.000 0.311 184 A C 0.045 177.734 177.584 0.176 0.000 1.068 184 A CA -0.613 51.363 52.037 -0.101 0.000 0.744 184 A CB 1.073 20.055 19.000 -0.031 0.000 1.239 184 A HN 0.699 nan 8.150 nan 0.000 0.435 185 T N 0.648 115.334 114.554 0.219 0.000 3.688 185 T HA 0.477 4.826 4.350 -0.001 0.000 0.307 185 T C 0.315 175.062 174.700 0.078 0.000 1.382 185 T CA 0.218 62.464 62.100 0.243 0.000 1.136 185 T CB -1.162 67.870 68.868 0.273 0.000 1.207 185 T HN 1.047 nan 8.240 nan 0.000 0.854 186 T N -0.997 113.578 114.554 0.035 0.000 2.901 186 T HA 0.907 5.257 4.350 -0.001 0.000 0.293 186 T C -0.105 174.629 174.700 0.057 0.000 1.084 186 T CA -0.629 61.404 62.100 -0.111 0.000 1.008 186 T CB 2.207 70.897 68.868 -0.298 0.000 1.170 186 T HN 0.835 nan 8.240 nan 0.000 0.509 187 G N -0.806 108.051 108.800 0.095 0.000 2.451 187 G HA2 0.444 4.403 3.960 -0.001 0.000 0.292 187 G HA3 0.444 4.403 3.960 -0.001 0.000 0.292 187 G C -1.912 173.106 174.900 0.196 0.000 1.427 187 G CA -0.654 44.526 45.100 0.133 0.000 0.792 187 G HN 0.700 nan 8.290 nan 0.000 0.498 188 Y N 0.914 121.200 120.300 -0.023 0.000 2.716 188 Y HA 0.376 4.926 4.550 -0.001 0.000 0.260 188 Y C 1.751 177.608 175.900 -0.073 0.000 1.141 188 Y CA 0.318 58.385 58.100 -0.054 0.000 1.168 188 Y CB 0.386 38.785 38.460 -0.101 0.000 1.189 188 Y HN 0.678 nan 8.280 nan 0.000 0.549 189 T N -5.578 108.970 114.554 -0.010 0.000 2.969 189 T HA 0.318 4.668 4.350 -0.001 0.000 0.258 189 T C 1.597 176.269 174.700 -0.046 0.000 0.962 189 T CA 0.423 62.485 62.100 -0.063 0.000 0.903 189 T CB 0.189 69.059 68.868 0.003 0.000 1.177 189 T HN 0.372 nan 8.240 nan 0.000 0.511 190 G N 1.432 110.221 108.800 -0.018 0.000 2.162 190 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.260 190 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.260 190 G C -0.172 174.720 174.900 -0.014 0.000 0.976 190 G CA 0.301 45.391 45.100 -0.016 0.000 0.655 190 G HN 0.615 nan 8.290 nan 0.000 0.533 191 E N -0.169 120.027 120.200 -0.007 0.000 2.243 191 E HA 0.761 5.111 4.350 -0.001 0.000 0.260 191 E C 0.819 177.417 176.600 -0.004 0.000 0.985 191 E CA 0.001 56.390 56.400 -0.017 0.000 0.858 191 E CB 1.408 31.089 29.700 -0.031 0.000 1.210 191 E HN 0.650 nan 8.360 nan 0.000 0.411 192 A N -0.007 122.796 122.820 -0.028 0.000 2.346 192 A HA 0.653 4.972 4.320 -0.001 0.000 0.255 192 A C 0.548 178.088 177.584 -0.074 0.000 1.113 192 A CA 0.775 52.786 52.037 -0.044 0.000 0.798 192 A CB 0.051 19.007 19.000 -0.073 0.000 1.073 192 A HN 0.640 nan 8.150 nan 0.000 0.502 193 G N -2.314 106.396 108.800 -0.150 0.000 2.368 193 G HA2 0.440 4.399 3.960 -0.001 0.000 0.302 193 G HA3 0.440 4.399 3.960 -0.001 0.000 0.302 193 G C -1.738 173.054 174.900 -0.181 0.000 1.329 193 G CA -0.789 44.202 45.100 -0.182 0.000 0.935 193 G HN 0.846 nan 8.290 nan 0.000 0.590 194 Y N 0.125 120.490 120.300 0.109 0.000 2.536 194 Y HA 0.681 5.230 4.550 -0.001 0.000 0.347 194 Y C 0.307 176.295 175.900 0.146 0.000 1.000 194 Y CA -1.065 57.111 58.100 0.127 0.000 1.051 194 Y CB 2.270 40.837 38.460 0.179 0.000 1.259 194 Y HN 0.527 nan 8.280 nan 0.000 0.468 195 E N 2.725 123.116 120.200 0.318 0.000 2.171 195 E HA 0.591 4.941 4.350 -0.001 0.000 0.271 195 E C -1.276 175.465 176.600 0.235 0.000 0.916 195 E CA -0.517 56.042 56.400 0.265 0.000 0.774 195 E CB 2.096 31.925 29.700 0.215 0.000 1.128 195 E HN 0.455 nan 8.360 nan 0.000 0.403 196 I N 2.390 123.127 120.570 0.278 0.000 2.439 196 I HA 0.406 4.575 4.170 -0.001 0.000 0.285 196 I C -0.382 175.883 176.117 0.248 0.000 1.021 196 I CA -0.663 60.781 61.300 0.240 0.000 1.091 196 I CB 1.752 39.975 38.000 0.372 0.000 1.242 196 I HN 0.468 nan 8.210 nan 0.000 0.439 197 A N 8.102 131.053 122.820 0.218 0.000 2.312 197 A HA 0.980 5.300 4.320 -0.001 0.000 0.326 197 A C -0.579 177.067 177.584 0.105 0.000 1.172 197 A CA -0.413 51.733 52.037 0.182 0.000 0.821 197 A CB 1.119 20.221 19.000 0.171 0.000 1.166 197 A HN 0.794 nan 8.150 nan 0.000 0.493 198 L N -1.050 120.223 121.223 0.082 0.000 2.838 198 L HA 0.714 5.053 4.340 -0.001 0.000 0.266 198 L C -3.188 173.707 176.870 0.042 0.000 1.040 198 L CA -2.478 52.376 54.840 0.022 0.000 0.906 198 L CB 1.624 43.660 42.059 -0.039 0.000 1.501 198 L HN 0.294 nan 8.230 nan 0.000 0.407 199 P HA 0.154 nan 4.420 nan 0.000 0.266 199 P C -0.070 177.265 177.300 0.058 0.000 1.195 199 P CA -0.076 63.043 63.100 0.031 0.000 0.768 199 P CB 0.464 32.173 31.700 0.014 0.000 0.838 200 N N 2.779 121.518 118.700 0.065 0.000 2.091 200 N HA -0.204 4.536 4.740 -0.001 0.000 0.193 200 N C 1.350 176.903 175.510 0.071 0.000 1.021 200 N CA 1.392 54.489 53.050 0.078 0.000 0.862 200 N CB -0.415 38.119 38.487 0.079 0.000 1.018 200 N HN 0.612 nan 8.380 nan 0.000 0.429 201 E N 1.153 121.387 120.200 0.056 0.000 2.409 201 E HA -0.117 4.233 4.350 -0.001 0.000 0.198 201 E C 0.813 177.449 176.600 0.060 0.000 1.024 201 E CA 0.936 57.367 56.400 0.051 0.000 0.861 201 E CB -0.135 29.587 29.700 0.037 0.000 0.788 201 E HN 0.374 nan 8.360 nan 0.000 0.521 202 K N 0.024 120.465 120.400 0.068 0.000 2.354 202 K HA 0.293 4.612 4.320 -0.001 0.000 0.194 202 K C 1.962 178.651 176.600 0.148 0.000 1.038 202 K CA 0.460 56.797 56.287 0.083 0.000 1.052 202 K CB 0.514 33.038 32.500 0.040 0.000 0.861 202 K HN 0.112 nan 8.250 nan 0.000 0.535 203 A N 1.738 124.649 122.820 0.152 0.000 1.898 203 A HA -0.091 4.228 4.320 -0.001 0.000 0.216 203 A C 2.374 180.099 177.584 0.235 0.000 1.181 203 A CA 1.826 53.996 52.037 0.221 0.000 0.620 203 A CB -0.534 18.570 19.000 0.174 0.000 0.819 203 A HN 0.276 nan 8.150 nan 0.000 0.442 204 A N -0.030 122.875 122.820 0.142 0.000 1.933 204 A HA -0.193 4.126 4.320 -0.001 0.000 0.218 204 A C 1.782 179.490 177.584 0.207 0.000 1.175 204 A CA 1.964 54.076 52.037 0.126 0.000 0.628 204 A CB -0.575 18.458 19.000 0.056 0.000 0.814 204 A HN 0.451 nan 8.150 nan 0.000 0.444 205 D N -1.250 119.265 120.400 0.192 0.000 2.117 205 D HA -0.105 4.534 4.640 -0.001 0.000 0.198 205 D C 1.579 178.042 176.300 0.272 0.000 0.982 205 D CA 1.033 55.148 54.000 0.191 0.000 0.828 205 D CB -0.395 40.496 40.800 0.152 0.000 0.967 205 D HN 0.404 nan 8.370 nan 0.000 0.464 206 F N 0.594 120.625 119.950 0.135 0.000 2.186 206 F HA -0.109 4.418 4.527 -0.001 0.000 0.299 206 F C 2.096 177.988 175.800 0.154 0.000 1.090 206 F CA 0.898 58.978 58.000 0.134 0.000 1.307 206 F CB -0.438 38.651 39.000 0.149 0.000 1.019 206 F HN 0.095 nan 8.300 nan 0.000 0.489 207 W N 1.784 123.088 121.300 0.006 0.000 2.333 207 W HA -0.244 4.416 4.660 -0.001 0.000 0.316 207 W C 2.364 178.814 176.519 -0.115 0.000 1.215 207 W CA 2.184 59.459 57.345 -0.117 0.000 1.278 207 W CB -0.663 28.759 29.460 -0.064 0.000 1.154 207 W HN 0.019 nan 8.180 nan 0.000 0.486 208 R N 0.292 120.912 120.500 0.199 0.000 2.096 208 R HA -0.205 4.135 4.340 -0.001 0.000 0.240 208 R C 2.526 178.790 176.300 -0.059 0.000 1.139 208 R CA 2.257 58.397 56.100 0.067 0.000 0.952 208 R CB -1.068 29.293 30.300 0.102 0.000 0.854 208 R HN 0.181 nan 8.270 nan 0.000 0.436 209 A N 1.129 123.931 122.820 -0.030 0.000 1.883 209 A HA -0.166 4.154 4.320 -0.001 0.000 0.217 209 A C 2.212 179.681 177.584 -0.191 0.000 1.186 209 A CA 1.338 53.342 52.037 -0.055 0.000 0.624 209 A CB -0.610 18.431 19.000 0.067 0.000 0.822 209 A HN 0.204 nan 8.150 nan 0.000 0.444 210 L N -0.636 120.370 121.223 -0.361 0.000 2.046 210 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 210 L C 2.559 179.165 176.870 -0.439 0.000 1.077 210 L CA 1.136 55.692 54.840 -0.474 0.000 0.747 210 L CB -0.568 41.076 42.059 -0.692 0.000 0.896 210 L HN 0.259 nan 8.230 nan 0.000 0.432 211 V N -0.358 119.269 119.914 -0.479 0.000 2.261 211 V HA -0.289 3.831 4.120 -0.001 0.000 0.246 211 V C 2.617 178.567 176.094 -0.240 0.000 1.047 211 V CA 1.981 64.043 62.300 -0.397 0.000 1.015 211 V CB -0.557 31.063 31.823 -0.338 0.000 0.642 211 V HN 0.502 nan 8.190 nan 0.000 0.446 212 E N 0.726 120.818 120.200 -0.180 0.000 2.118 212 E HA -0.228 4.122 4.350 -0.001 0.000 0.195 212 E C 2.052 178.577 176.600 -0.126 0.000 0.992 212 E CA 1.680 58.008 56.400 -0.121 0.000 0.804 212 E CB -0.218 29.434 29.700 -0.080 0.000 0.741 212 E HN 0.542 nan 8.360 nan 0.000 0.458 213 A N -0.256 122.473 122.820 -0.152 0.000 2.239 213 A HA 0.168 4.488 4.320 -0.001 0.000 0.209 213 A C 1.509 179.001 177.584 -0.152 0.000 1.171 213 A CA 1.248 53.199 52.037 -0.142 0.000 0.768 213 A CB -0.481 18.425 19.000 -0.157 0.000 0.790 213 A HN 0.418 nan 8.150 nan 0.000 0.478 214 G N -1.973 106.725 108.800 -0.170 0.000 2.131 214 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.201 214 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.201 214 G C -0.073 174.709 174.900 -0.198 0.000 1.000 214 G CA -0.046 44.959 45.100 -0.160 0.000 0.680 214 G HN 0.797 nan 8.290 nan 0.000 0.514 215 V N 1.126 120.881 119.914 -0.264 0.000 2.350 215 V HA 0.425 4.544 4.120 -0.001 0.000 0.276 215 V C 0.788 176.654 176.094 -0.379 0.000 1.028 215 V CA -0.711 61.403 62.300 -0.310 0.000 0.860 215 V CB 1.544 33.152 31.823 -0.358 0.000 0.990 215 V HN 0.388 nan 8.190 nan 0.000 0.453 216 K N 6.613 126.816 120.400 -0.329 0.000 2.322 216 K HA 0.299 4.618 4.320 -0.001 0.000 0.283 216 K C -2.526 173.793 176.600 -0.468 0.000 1.042 216 K CA -1.622 54.461 56.287 -0.341 0.000 0.958 216 K CB 0.932 33.292 32.500 -0.233 0.000 0.984 216 K HN 0.346 nan 8.250 nan 0.000 0.473 217 P HA 0.019 nan 4.420 nan 0.000 0.267 217 P C -1.068 175.909 177.300 -0.539 0.000 1.209 217 P CA -0.286 62.398 63.100 -0.694 0.000 0.763 217 P CB 0.560 31.579 31.700 -1.136 0.000 0.816 218 C N 3.591 122.700 119.300 -0.320 0.000 2.563 218 C HA 0.787 5.246 4.460 -0.001 0.000 0.314 218 C C 0.976 176.111 174.990 0.242 0.000 1.199 218 C CA -0.302 58.630 59.018 -0.143 0.000 1.564 218 C CB 1.610 28.915 27.740 -0.725 0.000 2.173 218 C HN 0.652 nan 8.230 nan 0.000 0.485 219 G N 0.827 109.832 108.800 0.341 0.000 2.613 219 G HA2 0.537 4.496 3.960 -0.001 0.000 0.303 219 G HA3 0.537 4.496 3.960 -0.001 0.000 0.303 219 G C 0.642 175.676 174.900 0.223 0.000 1.312 219 G CA -0.672 44.544 45.100 0.193 0.000 1.036 219 G HN 0.764 nan 8.290 nan 0.000 0.513 220 L N 0.393 121.617 121.223 0.001 0.000 2.127 220 L HA -0.049 4.290 4.340 -0.001 0.000 0.211 220 L C 3.031 179.905 176.870 0.006 0.000 1.089 220 L CA 1.348 56.131 54.840 -0.094 0.000 0.757 220 L CB -0.578 41.255 42.059 -0.377 0.000 0.899 220 L HN 0.671 nan 8.230 nan 0.000 0.434 221 G N -0.118 108.718 108.800 0.061 0.000 2.453 221 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.215 221 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.215 221 G C 1.781 176.761 174.900 0.134 0.000 1.201 221 G CA 0.857 46.014 45.100 0.097 0.000 0.784 221 G HN 0.460 nan 8.290 nan 0.000 0.545 222 A N 0.466 123.411 122.820 0.208 0.000 1.933 222 A HA -0.014 4.305 4.320 -0.001 0.000 0.218 222 A C 2.324 180.064 177.584 0.260 0.000 1.175 222 A CA 1.913 54.112 52.037 0.270 0.000 0.628 222 A CB -0.461 18.734 19.000 0.324 0.000 0.814 222 A HN 0.395 nan 8.150 nan 0.000 0.444 223 R N -0.283 120.373 120.500 0.260 0.000 2.083 223 R HA -0.218 4.122 4.340 -0.001 0.000 0.237 223 R C 1.897 178.173 176.300 -0.042 0.000 1.137 223 R CA 2.090 58.187 56.100 -0.006 0.000 0.951 223 R CB -0.423 29.819 30.300 -0.097 0.000 0.851 223 R HN 0.524 nan 8.270 nan 0.000 0.434 224 D N -0.934 119.479 120.400 0.021 0.000 2.097 224 D HA -0.114 4.526 4.640 -0.001 0.000 0.195 224 D C 1.499 177.787 176.300 -0.020 0.000 0.989 224 D CA 1.909 55.913 54.000 0.007 0.000 0.827 224 D CB -0.054 40.776 40.800 0.050 0.000 0.966 224 D HN 0.199 nan 8.370 nan 0.000 0.456 225 T N 0.127 114.698 114.554 0.028 0.000 2.720 225 T HA -0.128 4.221 4.350 -0.001 0.000 0.268 225 T C 2.043 176.762 174.700 0.032 0.000 1.037 225 T CA 1.108 63.218 62.100 0.016 0.000 1.144 225 T CB -0.329 68.561 68.868 0.036 0.000 0.864 225 T HN 0.146 nan 8.240 nan 0.000 0.444 226 L N 1.054 122.324 121.223 0.078 0.000 2.046 226 L HA -0.108 4.231 4.340 -0.001 0.000 0.208 226 L C 2.729 179.531 176.870 -0.114 0.000 1.077 226 L CA 1.433 56.285 54.840 0.020 0.000 0.747 226 L CB -0.544 41.511 42.059 -0.006 0.000 0.896 226 L HN 0.270 nan 8.230 nan 0.000 0.432 227 R N 0.206 120.541 120.500 -0.275 0.000 2.115 227 R HA -0.138 4.202 4.340 -0.001 0.000 0.230 227 R C 2.040 178.194 176.300 -0.244 0.000 1.111 227 R CA 1.163 56.969 56.100 -0.489 0.000 0.976 227 R CB -1.111 28.434 30.300 -1.258 0.000 0.870 227 R HN 0.172 nan 8.270 nan 0.000 0.445 228 L N 1.461 122.597 121.223 -0.145 0.000 2.056 228 L HA -0.005 4.334 4.340 -0.001 0.000 0.207 228 L C 1.740 178.634 176.870 0.040 0.000 1.078 228 L CA 1.763 56.578 54.840 -0.041 0.000 0.749 228 L CB -0.719 41.306 42.059 -0.057 0.000 0.901 228 L HN 0.317 nan 8.230 nan 0.000 0.433 229 E N -0.206 119.985 120.200 -0.014 0.000 2.130 229 E HA -0.223 4.127 4.350 -0.001 0.000 0.196 229 E C 1.892 178.600 176.600 0.180 0.000 0.998 229 E CA 1.244 57.690 56.400 0.077 0.000 0.806 229 E CB -0.278 29.443 29.700 0.036 0.000 0.738 229 E HN 0.640 nan 8.360 nan 0.000 0.459 230 A N 0.112 122.965 122.820 0.054 0.000 2.238 230 A HA 0.241 4.560 4.320 -0.001 0.000 0.208 230 A C 1.657 179.251 177.584 0.017 0.000 1.177 230 A CA 0.761 52.807 52.037 0.015 0.000 0.804 230 A CB -0.257 18.712 19.000 -0.052 0.000 0.823 230 A HN 0.329 nan 8.150 nan 0.000 0.482 231 G N -1.234 107.619 108.800 0.088 0.000 2.147 231 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.244 231 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.244 231 G C 0.055 174.978 174.900 0.039 0.000 1.005 231 G CA 0.563 45.698 45.100 0.058 0.000 0.713 231 G HN 0.442 nan 8.290 nan 0.000 0.515 232 M N 0.383 119.990 119.600 0.013 0.000 2.363 232 M HA 0.364 4.844 4.480 -0.001 0.000 0.343 232 M C 0.179 176.552 176.300 0.122 0.000 1.165 232 M CA -0.919 54.413 55.300 0.052 0.000 1.046 232 M CB 0.930 33.528 32.600 -0.004 0.000 1.648 232 M HN 0.039 nan 8.290 nan 0.000 0.452 233 N N 2.074 120.907 118.700 0.223 0.000 2.508 233 N HA 0.315 5.054 4.740 -0.001 0.000 0.264 233 N C -1.189 174.514 175.510 0.321 0.000 1.216 233 N CA -0.302 52.892 53.050 0.241 0.000 0.943 233 N CB 0.726 39.369 38.487 0.259 0.000 1.113 233 N HN 0.442 nan 8.380 nan 0.000 0.447 234 L N 3.019 124.398 121.223 0.260 0.000 2.305 234 L HA 0.329 4.669 4.340 -0.001 0.000 0.284 234 L C -0.821 176.178 176.870 0.215 0.000 1.013 234 L CA -0.801 54.221 54.840 0.303 0.000 0.819 234 L CB 0.402 42.633 42.059 0.286 0.000 1.227 234 L HN 0.420 nan 8.230 nan 0.000 0.417 235 Y N 5.561 125.940 120.300 0.132 0.000 2.811 235 Y HA 0.337 4.886 4.550 -0.001 0.000 0.334 235 Y C 1.423 177.358 175.900 0.058 0.000 1.247 235 Y CA 1.672 59.810 58.100 0.063 0.000 1.526 235 Y CB 0.749 39.213 38.460 0.006 0.000 1.284 235 Y HN 0.922 nan 8.280 nan 0.000 0.586 236 G N 3.380 111.801 108.800 -0.631 0.000 2.258 236 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.233 236 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.233 236 G C 0.790 175.608 174.900 -0.137 0.000 1.006 236 G CA 0.631 45.553 45.100 -0.296 0.000 0.620 236 G HN 0.607 nan 8.290 nan 0.000 0.511 237 Q N -0.863 118.890 119.800 -0.078 0.000 2.622 237 Q HA 0.248 4.588 4.340 -0.001 0.000 0.208 237 Q C 2.089 178.077 176.000 -0.021 0.000 0.911 237 Q CA 0.670 56.468 55.803 -0.008 0.000 0.893 237 Q CB 0.099 28.873 28.738 0.061 0.000 1.124 237 Q HN 0.296 nan 8.270 nan 0.000 0.634 238 E N 0.332 120.533 120.200 0.001 0.000 2.208 238 E HA -0.046 4.303 4.350 -0.001 0.000 0.193 238 E C 0.507 177.081 176.600 -0.043 0.000 0.988 238 E CA 0.861 57.268 56.400 0.011 0.000 0.828 238 E CB 0.306 30.047 29.700 0.068 0.000 0.763 238 E HN 0.238 nan 8.360 nan 0.000 0.478 239 M N -0.757 118.755 119.600 -0.146 0.000 2.732 239 M HA 0.514 4.993 4.480 -0.001 0.000 0.272 239 M C -1.797 174.194 176.300 -0.515 0.000 1.203 239 M CA -0.891 54.284 55.300 -0.209 0.000 0.841 239 M CB 1.805 34.341 32.600 -0.106 0.000 1.685 239 M HN -0.074 nan 8.290 nan 0.000 0.492 240 D N 0.334 120.499 120.400 -0.392 0.000 3.182 240 D HA 0.292 4.932 4.640 -0.001 0.000 0.352 240 D C -0.146 176.088 176.300 -0.110 0.000 1.421 240 D CA -0.257 53.466 54.000 -0.462 0.000 0.912 240 D CB 0.239 40.789 40.800 -0.416 0.000 1.461 240 D HN 0.583 nan 8.370 nan 0.000 0.548 241 E N -0.826 119.364 120.200 -0.017 0.000 2.333 241 E HA 0.000 4.350 4.350 -0.001 0.000 0.198 241 E C 1.410 177.992 176.600 -0.031 0.000 1.007 241 E CA 1.835 58.225 56.400 -0.018 0.000 0.845 241 E CB -0.302 29.393 29.700 -0.009 0.000 0.766 241 E HN 0.592 nan 8.360 nan 0.000 0.507 242 T N -2.014 112.517 114.554 -0.039 0.000 3.086 242 T HA 0.176 4.525 4.350 -0.001 0.000 0.250 242 T C 0.529 175.213 174.700 -0.026 0.000 1.074 242 T CA -0.218 61.867 62.100 -0.025 0.000 0.988 242 T CB 0.223 69.079 68.868 -0.020 0.000 0.988 242 T HN -0.138 nan 8.240 nan 0.000 0.530 243 I N 2.160 122.705 120.570 -0.042 0.000 2.406 243 I HA 0.433 4.603 4.170 -0.001 0.000 0.290 243 I C 0.333 176.434 176.117 -0.026 0.000 0.999 243 I CA -1.101 60.179 61.300 -0.033 0.000 1.124 243 I CB 1.385 39.354 38.000 -0.051 0.000 1.289 243 I HN 0.148 nan 8.210 nan 0.000 0.441 244 S N 8.239 123.936 115.700 -0.005 0.000 2.564 244 S HA 0.259 4.728 4.470 -0.001 0.000 0.278 244 S C -1.131 173.466 174.600 -0.006 0.000 1.333 244 S CA -0.889 57.311 58.200 0.001 0.000 1.048 244 S CB 0.815 64.032 63.200 0.029 0.000 0.900 244 S HN 0.481 nan 8.310 nan 0.000 0.505 245 P HA -0.116 nan 4.420 nan 0.000 0.219 245 P C 1.474 178.774 177.300 -0.001 0.000 1.146 245 P CA 1.114 64.186 63.100 -0.047 0.000 0.808 245 P CB -0.095 31.531 31.700 -0.122 0.000 0.779 246 L N -0.572 120.672 121.223 0.035 0.000 2.127 246 L HA -0.109 4.231 4.340 -0.001 0.000 0.211 246 L C 2.387 179.297 176.870 0.067 0.000 1.089 246 L CA 1.550 56.438 54.840 0.080 0.000 0.757 246 L CB -1.110 41.022 42.059 0.123 0.000 0.899 246 L HN -0.042 nan 8.230 nan 0.000 0.434 247 A N -0.592 122.257 122.820 0.049 0.000 2.278 247 A HA 0.459 4.779 4.320 -0.001 0.000 0.212 247 A C 1.516 179.125 177.584 0.042 0.000 1.213 247 A CA 0.755 52.818 52.037 0.043 0.000 0.840 247 A CB -0.229 18.791 19.000 0.034 0.000 0.866 247 A HN 0.318 nan 8.150 nan 0.000 0.489 248 A N -0.477 122.371 122.820 0.048 0.000 2.605 248 A HA 0.454 4.774 4.320 -0.001 0.000 0.292 248 A C 0.512 178.157 177.584 0.102 0.000 1.055 248 A CA 0.240 52.312 52.037 0.059 0.000 0.969 248 A CB -0.432 18.590 19.000 0.037 0.000 1.236 248 A HN 0.629 nan 8.150 nan 0.000 0.534 249 N N -0.816 117.951 118.700 0.113 0.000 2.754 249 N HA -0.189 4.550 4.740 -0.001 0.000 0.248 249 N C 0.257 175.927 175.510 0.267 0.000 1.093 249 N CA 1.636 54.794 53.050 0.180 0.000 0.699 249 N CB -1.784 36.798 38.487 0.159 0.000 1.016 249 N HN 0.593 nan 8.380 nan 0.000 0.552 250 M N -1.740 117.926 119.600 0.110 0.000 2.346 250 M HA 0.291 4.770 4.480 -0.001 0.000 0.280 250 M C 1.937 178.118 176.300 -0.199 0.000 1.075 250 M CA 0.416 55.661 55.300 -0.093 0.000 0.989 250 M CB 0.453 32.953 32.600 -0.166 0.000 1.447 250 M HN 0.297 nan 8.290 nan 0.000 0.511 251 G N 1.387 110.200 108.800 0.022 0.000 2.450 251 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.220 251 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.220 251 G C 1.211 176.141 174.900 0.050 0.000 1.130 251 G CA 0.601 45.739 45.100 0.064 0.000 0.760 251 G HN 0.790 nan 8.290 nan 0.000 0.557 252 W N 1.826 123.133 121.300 0.011 0.000 2.611 252 W HA 0.008 4.667 4.660 -0.001 0.000 0.251 252 W C 1.407 177.887 176.519 -0.066 0.000 1.265 252 W CA 1.407 58.749 57.345 -0.005 0.000 1.295 252 W CB -1.164 28.293 29.460 -0.006 0.000 1.129 252 W HN 0.282 nan 8.180 nan 0.000 0.630 253 T N -1.341 112.699 114.554 -0.856 0.000 3.107 253 T HA 0.179 4.528 4.350 -0.001 0.000 0.249 253 T C 0.673 174.980 174.700 -0.654 0.000 1.096 253 T CA -0.118 61.433 62.100 -0.916 0.000 1.012 253 T CB -0.383 67.780 68.868 -1.175 0.000 0.977 253 T HN -0.136 nan 8.240 nan 0.000 0.527 254 I N 2.587 122.812 120.570 -0.575 0.000 2.325 254 I HA 0.469 4.638 4.170 -0.001 0.000 0.291 254 I C 0.576 176.245 176.117 -0.746 0.000 1.019 254 I CA -1.376 59.451 61.300 -0.789 0.000 1.302 254 I CB 0.217 37.589 38.000 -1.048 0.000 1.401 254 I HN 0.250 nan 8.210 nan 0.000 0.485 255 A N 6.852 129.270 122.820 -0.670 0.000 2.923 255 A HA 0.243 4.562 4.320 -0.001 0.000 0.306 255 A C 0.661 178.108 177.584 -0.227 0.000 1.542 255 A CA -0.593 51.217 52.037 -0.377 0.000 1.225 255 A CB -0.415 18.404 19.000 -0.302 0.000 1.147 255 A HN 0.818 nan 8.150 nan 0.000 0.542 256 W N 0.891 122.200 121.300 0.014 0.000 2.355 256 W HA -0.051 4.609 4.660 -0.001 0.000 0.309 256 W C 0.870 177.433 176.519 0.073 0.000 1.206 256 W CA 0.675 58.070 57.345 0.083 0.000 1.284 256 W CB 0.173 29.663 29.460 0.050 0.000 1.145 256 W HN 0.408 nan 8.180 nan 0.000 0.502 257 E N 1.084 121.440 120.200 0.261 0.000 2.231 257 E HA 0.196 4.545 4.350 -0.001 0.000 0.277 257 E C -1.986 174.666 176.600 0.088 0.000 0.999 257 E CA -2.168 54.323 56.400 0.153 0.000 0.827 257 E CB 0.320 30.090 29.700 0.117 0.000 1.101 257 E HN -0.124 nan 8.360 nan 0.000 0.393 258 P HA 0.165 nan 4.420 nan 0.000 0.279 258 P C 0.024 177.390 177.300 0.109 0.000 1.239 258 P CA -0.193 62.955 63.100 0.080 0.000 0.789 258 P CB 1.153 32.888 31.700 0.058 0.000 0.933 259 A N 2.892 125.775 122.820 0.105 0.000 2.015 259 A HA -0.160 4.160 4.320 -0.001 0.000 0.219 259 A C 1.483 179.122 177.584 0.092 0.000 1.163 259 A CA 1.645 53.751 52.037 0.115 0.000 0.646 259 A CB -0.972 18.079 19.000 0.085 0.000 0.806 259 A HN 0.651 nan 8.150 nan 0.000 0.448 260 D N -0.620 119.824 120.400 0.074 0.000 2.352 260 D HA -0.084 4.556 4.640 -0.001 0.000 0.232 260 D C 0.805 177.151 176.300 0.076 0.000 1.055 260 D CA -0.057 53.981 54.000 0.062 0.000 0.891 260 D CB -0.482 40.347 40.800 0.048 0.000 0.897 260 D HN 0.426 nan 8.370 nan 0.000 0.529 261 R N 1.182 121.743 120.500 0.102 0.000 2.235 261 R HA 0.131 4.470 4.340 -0.001 0.000 0.338 261 R C -0.903 175.494 176.300 0.162 0.000 1.087 261 R CA -0.594 55.584 56.100 0.130 0.000 0.948 261 R CB 0.137 30.516 30.300 0.131 0.000 1.099 261 R HN -0.175 nan 8.270 nan 0.000 0.483 262 D N 4.280 124.764 120.400 0.140 0.000 2.382 262 D HA 0.147 4.786 4.640 -0.001 0.000 0.245 262 D C -0.854 175.593 176.300 0.244 0.000 1.120 262 D CA 0.244 54.311 54.000 0.112 0.000 0.890 262 D CB 0.423 41.305 40.800 0.137 0.000 1.201 262 D HN 0.372 nan 8.370 nan 0.000 0.433 263 F N 0.883 120.856 119.950 0.038 0.000 2.645 263 F HA 0.517 5.043 4.527 -0.001 0.000 0.310 263 F C -0.768 174.883 175.800 -0.248 0.000 1.102 263 F CA -1.392 56.505 58.000 -0.171 0.000 0.952 263 F CB 0.457 39.325 39.000 -0.221 0.000 1.326 263 F HN 0.106 nan 8.300 nan 0.000 0.456 264 I N 2.571 122.982 120.570 -0.265 0.000 2.587 264 I HA 0.361 4.531 4.170 -0.001 0.000 0.284 264 I C 1.163 177.265 176.117 -0.024 0.000 1.134 264 I CA 1.193 62.371 61.300 -0.203 0.000 1.410 264 I CB 0.336 38.201 38.000 -0.224 0.000 1.392 264 I HN 1.131 nan 8.210 nan 0.000 0.545 265 G N 5.115 113.867 108.800 -0.081 0.000 2.213 265 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.236 265 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.236 265 G C 1.235 176.027 174.900 -0.180 0.000 0.991 265 G CA 0.420 45.486 45.100 -0.056 0.000 0.629 265 G HN 0.689 nan 8.290 nan 0.000 0.517 266 R N 1.090 121.228 120.500 -0.603 0.000 2.083 266 R HA -0.048 4.292 4.340 -0.001 0.000 0.237 266 R C 2.228 178.385 176.300 -0.238 0.000 1.137 266 R CA 2.184 57.791 56.100 -0.821 0.000 0.951 266 R CB -0.474 29.011 30.300 -1.358 0.000 0.851 266 R HN 0.582 nan 8.270 nan 0.000 0.434 267 E N -0.030 120.069 120.200 -0.169 0.000 2.077 267 E HA -0.212 4.137 4.350 -0.001 0.000 0.193 267 E C 1.820 178.425 176.600 0.008 0.000 0.989 267 E CA 1.274 57.645 56.400 -0.048 0.000 0.800 267 E CB -0.191 29.489 29.700 -0.032 0.000 0.746 267 E HN 0.493 nan 8.360 nan 0.000 0.452 268 A N 1.005 123.828 122.820 0.004 0.000 1.865 268 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 268 A C 2.136 179.769 177.584 0.083 0.000 1.191 268 A CA 1.329 53.389 52.037 0.039 0.000 0.623 268 A CB -0.674 18.343 19.000 0.028 0.000 0.826 268 A HN 0.322 nan 8.150 nan 0.000 0.444 269 L N 0.311 121.595 121.223 0.103 0.000 2.042 269 L HA -0.176 4.164 4.340 -0.001 0.000 0.210 269 L C 2.533 179.598 176.870 0.325 0.000 1.076 269 L CA 1.873 56.851 54.840 0.229 0.000 0.749 269 L CB -1.056 41.153 42.059 0.249 0.000 0.893 269 L HN 0.432 nan 8.230 nan 0.000 0.432 270 E N -0.505 119.860 120.200 0.275 0.000 2.058 270 E HA -0.191 4.158 4.350 -0.001 0.000 0.194 270 E C 2.317 178.948 176.600 0.052 0.000 0.997 270 E CA 1.502 57.997 56.400 0.159 0.000 0.801 270 E CB -0.543 29.214 29.700 0.095 0.000 0.746 270 E HN 0.340 nan 8.360 nan 0.000 0.450 271 V N 1.573 121.540 119.914 0.089 0.000 2.332 271 V HA -0.282 3.838 4.120 -0.001 0.000 0.248 271 V C 2.424 178.621 176.094 0.171 0.000 1.055 271 V CA 1.951 64.334 62.300 0.138 0.000 1.038 271 V CB -0.616 31.294 31.823 0.144 0.000 0.651 271 V HN 0.248 nan 8.190 nan 0.000 0.450 272 Q N -0.565 119.317 119.800 0.136 0.000 2.167 272 Q HA -0.193 4.146 4.340 -0.001 0.000 0.202 272 Q C 2.461 178.508 176.000 0.078 0.000 0.970 272 Q CA 1.508 57.387 55.803 0.126 0.000 0.855 272 Q CB -0.213 28.600 28.738 0.124 0.000 0.911 272 Q HN 0.569 nan 8.270 nan 0.000 0.438 273 R N 0.918 121.437 120.500 0.032 0.000 2.073 273 R HA -0.138 4.202 4.340 -0.001 0.000 0.229 273 R C 1.795 177.994 176.300 -0.169 0.000 1.120 273 R CA 1.302 57.351 56.100 -0.085 0.000 0.967 273 R CB 0.089 30.195 30.300 -0.324 0.000 0.862 273 R HN 0.214 nan 8.270 nan 0.000 0.436 274 E N -1.033 119.027 120.200 -0.234 0.000 2.077 274 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 274 E C 1.491 177.814 176.600 -0.461 0.000 0.989 274 E CA 1.597 57.754 56.400 -0.405 0.000 0.800 274 E CB 0.098 29.457 29.700 -0.567 0.000 0.746 274 E HN 0.571 nan 8.360 nan 0.000 0.452 275 H N -1.580 117.476 119.070 -0.023 0.000 2.547 275 H HA 0.286 4.842 4.556 -0.001 0.000 0.272 275 H C 0.486 175.812 175.328 -0.004 0.000 0.971 275 H CA 0.337 56.378 56.048 -0.011 0.000 1.245 275 H CB 1.179 30.940 29.762 -0.002 0.000 1.440 275 H HN 0.219 nan 8.280 nan 0.000 0.540 276 G N 0.412 109.254 108.800 0.070 0.000 2.617 276 G HA2 0.049 4.009 3.960 -0.001 0.000 0.686 276 G HA3 0.049 4.009 3.960 -0.001 0.000 0.686 276 G C -0.221 174.717 174.900 0.063 0.000 1.214 276 G CA -0.493 44.637 45.100 0.050 0.000 0.796 276 G HN 0.521 nan 8.290 nan 0.000 0.654 277 T N -1.603 112.982 114.554 0.051 0.000 2.838 277 T HA 0.782 5.132 4.350 -0.001 0.000 0.292 277 T C 0.159 174.883 174.700 0.040 0.000 1.113 277 T CA -0.302 61.829 62.100 0.052 0.000 1.008 277 T CB 1.957 70.861 68.868 0.059 0.000 1.259 277 T HN 0.826 nan 8.240 nan 0.000 0.520 278 E N 0.821 121.046 120.200 0.041 0.000 2.442 278 E HA 0.240 4.590 4.350 -0.001 0.000 0.260 278 E C -0.367 176.253 176.600 0.035 0.000 1.148 278 E CA -0.285 56.138 56.400 0.038 0.000 0.976 278 E CB 0.349 30.076 29.700 0.044 0.000 0.967 278 E HN 0.282 nan 8.360 nan 0.000 0.454 279 K N 1.025 121.440 120.400 0.026 0.000 2.426 279 K HA 0.374 4.693 4.320 -0.001 0.000 0.251 279 K C -0.926 175.685 176.600 0.019 0.000 0.941 279 K CA -1.061 55.238 56.287 0.020 0.000 0.808 279 K CB 1.704 34.201 32.500 -0.004 0.000 1.265 279 K HN 0.259 nan 8.250 nan 0.000 0.432 280 L N 2.878 124.117 121.223 0.028 0.000 2.305 280 L HA 0.422 4.761 4.340 -0.001 0.000 0.281 280 L C -0.383 176.490 176.870 0.005 0.000 1.085 280 L CA -0.308 54.550 54.840 0.031 0.000 0.813 280 L CB 1.089 43.179 42.059 0.053 0.000 1.157 280 L HN 0.459 nan 8.230 nan 0.000 0.436 281 V N 1.739 121.652 119.914 -0.001 0.000 3.158 281 V HA 1.005 5.125 4.120 -0.001 0.000 0.311 281 V C 0.030 176.120 176.094 -0.007 0.000 1.181 281 V CA -0.302 61.976 62.300 -0.037 0.000 1.054 281 V CB 1.230 33.015 31.823 -0.064 0.000 1.085 281 V HN 0.833 nan 8.190 nan 0.000 0.446 282 G N 0.288 109.053 108.800 -0.058 0.000 2.434 282 G HA2 0.735 4.694 3.960 -0.001 0.000 0.330 282 G HA3 0.735 4.694 3.960 -0.001 0.000 0.330 282 G C -1.229 173.762 174.900 0.151 0.000 1.155 282 G CA -0.907 44.238 45.100 0.075 0.000 0.917 282 G HN 0.851 nan 8.290 nan 0.000 0.493 283 L N 0.397 121.805 121.223 0.308 0.000 2.401 283 L HA 0.596 4.936 4.340 -0.001 0.000 0.266 283 L C -0.805 176.186 176.870 0.203 0.000 0.991 283 L CA -1.123 53.824 54.840 0.178 0.000 0.818 283 L CB 2.501 44.622 42.059 0.104 0.000 1.321 283 L HN 0.198 nan 8.230 nan 0.000 0.413 284 V N 3.136 123.119 119.914 0.116 0.000 2.531 284 V HA 0.474 4.593 4.120 -0.001 0.000 0.301 284 V C -0.369 175.701 176.094 -0.040 0.000 1.034 284 V CA -0.349 61.983 62.300 0.054 0.000 0.865 284 V CB 2.021 33.891 31.823 0.078 0.000 0.995 284 V HN 0.776 nan 8.190 nan 0.000 0.424 285 M N 4.159 123.731 119.600 -0.046 0.000 2.125 285 M HA 0.301 4.781 4.480 -0.001 0.000 0.321 285 M C 1.052 177.286 176.300 -0.109 0.000 0.983 285 M CA -0.393 54.869 55.300 -0.063 0.000 0.934 285 M CB 1.916 34.516 32.600 0.001 0.000 1.542 285 M HN 0.900 nan 8.290 nan 0.000 0.424 286 T N 0.212 114.624 114.554 -0.238 0.000 3.009 286 T HA 0.067 4.417 4.350 -0.001 0.000 0.258 286 T C 0.718 175.419 174.700 0.002 0.000 1.063 286 T CA 0.258 62.186 62.100 -0.287 0.000 1.139 286 T CB -0.116 68.466 68.868 -0.477 0.000 0.890 286 T HN 0.723 nan 8.240 nan 0.000 0.471 287 E N 2.002 122.194 120.200 -0.013 0.000 2.391 287 E HA 0.165 4.514 4.350 -0.001 0.000 0.255 287 E C -0.395 176.228 176.600 0.039 0.000 1.187 287 E CA -0.510 55.901 56.400 0.019 0.000 0.941 287 E CB 0.691 30.393 29.700 0.003 0.000 1.010 287 E HN 0.129 nan 8.360 nan 0.000 0.458 288 K N -0.088 120.330 120.400 0.029 0.000 2.219 288 K HA 0.483 4.803 4.320 -0.001 0.000 0.258 288 K C 0.422 177.031 176.600 0.015 0.000 1.008 288 K CA 0.407 56.705 56.287 0.019 0.000 0.928 288 K CB 0.671 33.169 32.500 -0.002 0.000 0.983 288 K HN 0.867 nan 8.250 nan 0.000 0.484 289 G N -0.847 107.959 108.800 0.009 0.000 2.334 289 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.566 289 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.566 289 G C -1.702 173.212 174.900 0.023 0.000 1.413 289 G CA -1.028 44.080 45.100 0.013 0.000 0.993 289 G HN 0.283 nan 8.290 nan 0.000 0.642 290 V N 1.702 121.629 119.914 0.022 0.000 2.313 290 V HA 0.412 4.531 4.120 -0.001 0.000 0.278 290 V C 0.795 176.910 176.094 0.035 0.000 1.017 290 V CA -0.618 61.700 62.300 0.030 0.000 0.823 290 V CB 1.224 33.060 31.823 0.020 0.000 1.010 290 V HN 0.641 nan 8.190 nan 0.000 0.443 291 L N 6.072 127.320 121.223 0.042 0.000 2.485 291 L HA 0.348 4.688 4.340 -0.001 0.000 0.279 291 L C 0.634 177.525 176.870 0.036 0.000 1.124 291 L CA 0.390 55.252 54.840 0.036 0.000 0.888 291 L CB 0.016 42.094 42.059 0.031 0.000 1.217 291 L HN 0.575 nan 8.230 nan 0.000 0.464 292 R N 2.406 122.928 120.500 0.036 0.000 2.604 292 R HA 0.308 4.648 4.340 -0.001 0.000 0.287 292 R C -0.294 176.030 176.300 0.040 0.000 0.970 292 R CA -0.990 55.132 56.100 0.038 0.000 0.946 292 R CB 1.182 31.503 30.300 0.035 0.000 1.127 292 R HN 0.490 nan 8.270 nan 0.000 0.473 293 N N 2.822 121.548 118.700 0.044 0.000 2.357 293 N HA -0.077 4.663 4.740 -0.001 0.000 0.257 293 N C -0.361 175.174 175.510 0.041 0.000 1.250 293 N CA 0.896 53.973 53.050 0.046 0.000 0.862 293 N CB 0.280 38.799 38.487 0.052 0.000 1.066 293 N HN 0.727 nan 8.380 nan 0.000 0.468 294 E N -2.178 118.047 120.200 0.040 0.000 4.217 294 E HA -0.205 4.145 4.350 -0.001 0.000 0.365 294 E C -0.714 175.908 176.600 0.037 0.000 0.647 294 E CA 0.155 56.577 56.400 0.036 0.000 1.399 294 E CB -1.015 28.705 29.700 0.033 0.000 1.766 294 E HN 0.245 nan 8.360 nan 0.000 0.394 295 L N 1.832 123.078 121.223 0.039 0.000 2.456 295 L HA 0.216 4.556 4.340 -0.001 0.000 0.272 295 L C -1.852 175.044 176.870 0.044 0.000 1.189 295 L CA -1.214 53.649 54.840 0.039 0.000 0.846 295 L CB -0.440 41.642 42.059 0.038 0.000 1.111 295 L HN -0.167 nan 8.230 nan 0.000 0.475 296 P HA 0.171 nan 4.420 nan 0.000 0.271 296 P C -0.971 176.367 177.300 0.062 0.000 1.218 296 P CA -0.181 62.949 63.100 0.049 0.000 0.780 296 P CB 0.761 32.485 31.700 0.039 0.000 0.901 297 V N 4.456 124.420 119.914 0.083 0.000 2.588 297 V HA 0.478 4.598 4.120 -0.001 0.000 0.304 297 V C 0.205 176.388 176.094 0.147 0.000 1.042 297 V CA -0.539 61.828 62.300 0.111 0.000 0.877 297 V CB 1.757 33.653 31.823 0.121 0.000 0.996 297 V HN 0.468 nan 8.190 nan 0.000 0.425 298 R N 3.942 124.536 120.500 0.156 0.000 2.686 298 R HA 0.788 5.128 4.340 -0.001 0.000 0.283 298 R C -1.415 175.037 176.300 0.253 0.000 0.978 298 R CA -0.498 55.687 56.100 0.141 0.000 0.897 298 R CB 2.660 32.994 30.300 0.057 0.000 1.192 298 R HN 0.716 nan 8.270 nan 0.000 0.457 299 F N -1.963 118.028 119.950 0.068 0.000 2.685 299 F HA 0.611 5.137 4.527 -0.001 0.000 0.315 299 F C -1.211 174.640 175.800 0.085 0.000 1.126 299 F CA -0.901 57.139 58.000 0.068 0.000 0.950 299 F CB 1.758 40.799 39.000 0.068 0.000 1.360 299 F HN 0.181 nan 8.300 nan 0.000 0.469 300 T N 1.548 116.209 114.554 0.179 0.000 2.807 300 T HA 0.437 4.786 4.350 -0.001 0.000 0.279 300 T C -0.975 173.874 174.700 0.248 0.000 0.993 300 T CA -0.606 61.530 62.100 0.059 0.000 0.970 300 T CB 1.273 70.162 68.868 0.036 0.000 0.950 300 T HN 0.746 nan 8.240 nan 0.000 0.441 301 D N 1.878 122.406 120.400 0.213 0.000 2.451 301 D HA 0.484 5.123 4.640 -0.001 0.000 0.259 301 D C 1.632 178.034 176.300 0.170 0.000 1.201 301 D CA -0.613 53.576 54.000 0.315 0.000 1.028 301 D CB 0.163 41.190 40.800 0.379 0.000 1.095 301 D HN 0.418 nan 8.370 nan 0.000 0.539 302 A N -0.336 122.570 122.820 0.144 0.000 1.927 302 A HA -0.286 4.033 4.320 -0.001 0.000 0.220 302 A C 1.661 179.284 177.584 0.065 0.000 1.185 302 A CA 1.996 54.085 52.037 0.087 0.000 0.639 302 A CB -0.982 18.059 19.000 0.068 0.000 0.820 302 A HN 0.627 nan 8.150 nan 0.000 0.451 303 Q N -1.327 118.513 119.800 0.066 0.000 2.242 303 Q HA 0.452 4.792 4.340 -0.001 0.000 0.246 303 Q C 0.857 176.869 176.000 0.020 0.000 0.883 303 Q CA 0.512 56.338 55.803 0.039 0.000 0.984 303 Q CB -0.029 28.730 28.738 0.035 0.000 1.096 303 Q HN 0.880 nan 8.270 nan 0.000 0.452 304 G N 0.226 109.038 108.800 0.020 0.000 2.184 304 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.264 304 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.264 304 G C -0.161 174.707 174.900 -0.054 0.000 0.975 304 G CA -0.257 44.838 45.100 -0.009 0.000 0.642 304 G HN 0.377 nan 8.290 nan 0.000 0.536 305 N N 1.003 119.658 118.700 -0.075 0.000 2.444 305 N HA 0.439 5.179 4.740 -0.001 0.000 0.271 305 N C 0.393 175.667 175.510 -0.393 0.000 1.069 305 N CA 0.128 53.047 53.050 -0.218 0.000 0.965 305 N CB 1.390 39.743 38.487 -0.224 0.000 1.092 305 N HN 0.836 nan 8.380 nan 0.000 0.476 306 Q N 2.382 121.927 119.800 -0.425 0.000 2.230 306 Q HA 0.296 4.636 4.340 -0.001 0.000 0.248 306 Q C -0.956 174.610 176.000 -0.724 0.000 0.915 306 Q CA -0.216 55.313 55.803 -0.458 0.000 0.900 306 Q CB 1.036 29.630 28.738 -0.239 0.000 1.229 306 Q HN 0.490 nan 8.270 nan 0.000 0.439 307 H N 1.161 119.875 119.070 -0.593 0.000 2.894 307 H HA 0.471 5.027 4.556 -0.001 0.000 0.368 307 H C -1.234 173.883 175.328 -0.351 0.000 1.181 307 H CA -0.833 54.890 56.048 -0.543 0.000 1.146 307 H CB 2.184 31.444 29.762 -0.836 0.000 1.839 307 H HN 0.870 nan 8.280 nan 0.000 0.557 308 E N 0.519 120.717 120.200 -0.004 0.000 2.272 308 E HA 0.528 4.877 4.350 -0.001 0.000 0.269 308 E C -0.964 175.703 176.600 0.111 0.000 0.877 308 E CA -0.799 55.632 56.400 0.052 0.000 0.755 308 E CB 2.122 31.835 29.700 0.022 0.000 1.192 308 E HN 0.810 nan 8.360 nan 0.000 0.422 309 G N 3.086 111.971 108.800 0.141 0.000 3.222 309 G HA2 0.706 4.666 3.960 -0.001 0.000 0.263 309 G HA3 0.706 4.666 3.960 -0.001 0.000 0.263 309 G C -1.305 173.650 174.900 0.093 0.000 1.312 309 G CA -0.663 44.513 45.100 0.126 0.000 0.934 309 G HN 0.565 nan 8.290 nan 0.000 0.577 310 I N -0.714 119.904 120.570 0.079 0.000 2.827 310 I HA 0.455 4.624 4.170 -0.001 0.000 0.298 310 I C -1.017 175.137 176.117 0.060 0.000 1.235 310 I CA -1.142 60.196 61.300 0.063 0.000 1.021 310 I CB 2.278 40.307 38.000 0.049 0.000 1.259 310 I HN 0.367 nan 8.210 nan 0.000 0.427 311 I N 5.643 126.246 120.570 0.056 0.000 2.471 311 I HA 0.079 4.248 4.170 -0.001 0.000 0.286 311 I C 1.382 177.529 176.117 0.050 0.000 1.079 311 I CA 0.201 61.534 61.300 0.056 0.000 1.398 311 I CB 1.472 39.504 38.000 0.053 0.000 1.403 311 I HN 0.733 nan 8.210 nan 0.000 0.530 312 T N 0.784 115.369 114.554 0.053 0.000 2.939 312 T HA 0.105 4.454 4.350 -0.001 0.000 0.254 312 T C 0.693 175.426 174.700 0.055 0.000 1.041 312 T CA 0.152 62.281 62.100 0.048 0.000 1.142 312 T CB 0.209 69.105 68.868 0.047 0.000 0.874 312 T HN 0.481 nan 8.240 nan 0.000 0.452 313 S N -0.362 115.375 115.700 0.061 0.000 2.536 313 S HA 0.702 5.172 4.470 -0.001 0.000 0.271 313 S C -0.435 174.190 174.600 0.041 0.000 1.134 313 S CA -0.797 57.438 58.200 0.057 0.000 0.897 313 S CB 2.079 65.319 63.200 0.066 0.000 1.094 313 S HN 0.805 nan 8.310 nan 0.000 0.473 314 G N 0.298 109.116 108.800 0.028 0.000 2.563 314 G HA2 0.771 4.731 3.960 -0.001 0.000 0.302 314 G HA3 0.771 4.731 3.960 -0.001 0.000 0.302 314 G C -1.204 173.692 174.900 -0.007 0.000 1.301 314 G CA -0.576 44.525 45.100 0.002 0.000 0.965 314 G HN 0.666 nan 8.290 nan 0.000 0.480 315 T N -0.480 114.049 114.554 -0.043 0.000 2.840 315 T HA 0.486 4.836 4.350 -0.001 0.000 0.317 315 T C -1.843 172.845 174.700 -0.021 0.000 1.401 315 T CA -0.509 61.576 62.100 -0.025 0.000 1.028 315 T CB 1.276 70.107 68.868 -0.062 0.000 1.317 315 T HN 0.588 nan 8.240 nan 0.000 0.495 316 F N 3.364 123.261 119.950 -0.088 0.000 2.445 316 F HA 0.591 5.117 4.527 -0.001 0.000 0.359 316 F C 0.462 176.172 175.800 -0.150 0.000 1.101 316 F CA -0.455 57.487 58.000 -0.097 0.000 1.177 316 F CB 0.835 39.789 39.000 -0.077 0.000 1.110 316 F HN 0.350 nan 8.300 nan 0.000 0.522 317 S N 8.587 123.655 115.700 -1.053 0.000 2.399 317 S HA 0.355 4.825 4.470 -0.001 0.000 0.301 317 S C -1.778 172.143 174.600 -1.132 0.000 1.093 317 S CA -1.472 56.193 58.200 -0.891 0.000 1.077 317 S CB 0.726 63.592 63.200 -0.557 0.000 0.980 317 S HN 0.529 nan 8.310 nan 0.000 0.494 318 P HA -0.051 nan 4.420 nan 0.000 0.216 318 P C 1.481 178.618 177.300 -0.272 0.000 1.153 318 P CA 1.113 63.902 63.100 -0.518 0.000 0.848 318 P CB -0.079 31.357 31.700 -0.441 0.000 0.787 319 T N 0.101 114.564 114.554 -0.151 0.000 2.635 319 T HA -0.161 4.189 4.350 -0.001 0.000 0.267 319 T C 1.656 176.287 174.700 -0.116 0.000 1.040 319 T CA 1.389 63.472 62.100 -0.027 0.000 1.156 319 T CB -1.024 67.878 68.868 0.057 0.000 0.863 319 T HN -0.023 nan 8.240 nan 0.000 0.430 320 L N 0.447 121.560 121.223 -0.184 0.000 2.217 320 L HA 0.232 4.572 4.340 -0.001 0.000 0.211 320 L C 2.167 178.785 176.870 -0.420 0.000 1.107 320 L CA 1.410 56.130 54.840 -0.200 0.000 0.783 320 L CB -0.955 41.052 42.059 -0.086 0.000 0.919 320 L HN 0.583 nan 8.230 nan 0.000 0.442 321 G N -2.486 106.042 108.800 -0.453 0.000 2.153 321 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.252 321 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.252 321 G C -0.070 174.623 174.900 -0.346 0.000 0.994 321 G CA 0.324 45.186 45.100 -0.397 0.000 0.698 321 G HN 0.239 nan 8.290 nan 0.000 0.521 322 Y N -0.068 120.147 120.300 -0.140 0.000 2.605 322 Y HA 0.706 5.256 4.550 -0.001 0.000 0.343 322 Y C 0.749 176.607 175.900 -0.070 0.000 1.036 322 Y CA -1.297 56.818 58.100 0.025 0.000 1.065 322 Y CB 1.391 39.843 38.460 -0.012 0.000 1.288 322 Y HN 0.086 nan 8.280 nan 0.000 0.481 323 S N 2.813 118.698 115.700 0.308 0.000 2.549 323 S HA 0.510 4.979 4.470 -0.001 0.000 0.283 323 S C -0.257 174.327 174.600 -0.027 0.000 1.320 323 S CA -0.291 57.994 58.200 0.142 0.000 1.058 323 S CB -0.455 62.833 63.200 0.147 0.000 0.882 323 S HN 0.500 nan 8.310 nan 0.000 0.498 324 I N -0.834 119.632 120.570 -0.174 0.000 3.042 324 I HA 1.010 5.179 4.170 -0.001 0.000 0.310 324 I C -0.704 175.266 176.117 -0.244 0.000 1.117 324 I CA -1.348 59.738 61.300 -0.357 0.000 1.003 324 I CB 2.158 39.568 38.000 -0.983 0.000 1.228 324 I HN 0.610 nan 8.210 nan 0.000 0.443 325 A N 3.906 126.647 122.820 -0.131 0.000 2.604 325 A HA 0.762 5.081 4.320 -0.001 0.000 0.295 325 A C -1.567 176.139 177.584 0.203 0.000 1.067 325 A CA -0.630 51.425 52.037 0.030 0.000 0.683 325 A CB 1.616 20.646 19.000 0.050 0.000 1.281 325 A HN 0.747 nan 8.150 nan 0.000 0.407 326 L N 0.982 122.301 121.223 0.161 0.000 2.322 326 L HA 0.790 5.130 4.340 -0.001 0.000 0.279 326 L C 0.358 177.291 176.870 0.105 0.000 1.036 326 L CA -0.440 54.501 54.840 0.168 0.000 0.807 326 L CB 1.838 43.985 42.059 0.147 0.000 1.226 326 L HN 0.962 nan 8.230 nan 0.000 0.433 327 A N 3.296 126.168 122.820 0.087 0.000 2.455 327 A HA 0.594 4.914 4.320 -0.001 0.000 0.300 327 A C -1.029 176.588 177.584 0.055 0.000 1.040 327 A CA -0.671 51.407 52.037 0.068 0.000 0.697 327 A CB 1.654 20.695 19.000 0.068 0.000 1.265 327 A HN 0.753 nan 8.150 nan 0.000 0.407 328 R N 1.498 122.031 120.500 0.055 0.000 2.265 328 R HA 0.630 4.969 4.340 -0.001 0.000 0.319 328 R C -0.765 175.576 176.300 0.068 0.000 1.006 328 R CA -0.183 55.947 56.100 0.051 0.000 0.880 328 R CB 0.870 31.196 30.300 0.043 0.000 1.077 328 R HN 1.042 nan 8.270 nan 0.000 0.454 329 V N 1.790 121.746 119.914 0.070 0.000 3.007 329 V HA 0.653 4.772 4.120 -0.001 0.000 0.311 329 V C -2.796 173.369 176.094 0.118 0.000 1.120 329 V CA -2.936 59.440 62.300 0.127 0.000 0.980 329 V CB 1.958 33.850 31.823 0.114 0.000 1.033 329 V HN 0.671 nan 8.190 nan 0.000 0.429 330 P HA 0.198 nan 4.420 nan 0.000 0.268 330 P C -0.263 177.077 177.300 0.067 0.000 1.208 330 P CA 0.163 63.313 63.100 0.084 0.000 0.777 330 P CB 0.315 32.014 31.700 -0.000 0.000 0.875 331 E N 0.649 120.843 120.200 -0.010 0.000 2.409 331 E HA 0.298 4.647 4.350 -0.001 0.000 0.257 331 E C 1.111 177.701 176.600 -0.016 0.000 1.150 331 E CA 0.496 56.882 56.400 -0.023 0.000 0.942 331 E CB -0.181 29.509 29.700 -0.017 0.000 0.979 331 E HN 0.741 nan 8.360 nan 0.000 0.447 332 G N 1.258 110.037 108.800 -0.036 0.000 2.141 332 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.242 332 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.242 332 G C 0.248 175.117 174.900 -0.051 0.000 0.982 332 G CA -0.029 45.077 45.100 0.010 0.000 0.662 332 G HN 0.529 nan 8.290 nan 0.000 0.527 333 I N 1.251 121.520 120.570 -0.501 0.000 2.872 333 I HA 0.415 4.584 4.170 -0.001 0.000 0.291 333 I C 1.447 177.324 176.117 -0.400 0.000 1.216 333 I CA 1.086 61.729 61.300 -1.095 0.000 1.424 333 I CB 0.540 37.799 38.000 -1.235 0.000 1.351 333 I HN 0.199 nan 8.210 nan 0.000 0.592 334 G N 4.226 112.864 108.800 -0.271 0.000 3.022 334 G HA2 0.187 4.146 3.960 -0.001 0.000 0.157 334 G HA3 0.187 4.146 3.960 -0.001 0.000 0.157 334 G C 0.342 175.165 174.900 -0.129 0.000 1.468 334 G CA -0.134 44.893 45.100 -0.121 0.000 1.058 334 G HN 0.713 nan 8.290 nan 0.000 0.581 335 E N -0.702 119.456 120.200 -0.070 0.000 2.474 335 E HA 0.158 4.507 4.350 -0.001 0.000 0.194 335 E C 0.640 177.212 176.600 -0.047 0.000 1.041 335 E CA 0.410 56.775 56.400 -0.060 0.000 0.874 335 E CB 0.477 30.154 29.700 -0.038 0.000 0.914 335 E HN 0.463 nan 8.360 nan 0.000 0.498 336 T N -2.781 111.752 114.554 -0.036 0.000 2.865 336 T HA 0.848 5.198 4.350 -0.001 0.000 0.294 336 T C -0.471 174.239 174.700 0.017 0.000 1.119 336 T CA -0.514 61.581 62.100 -0.009 0.000 1.007 336 T CB 2.324 71.198 68.868 0.010 0.000 1.225 336 T HN -0.020 nan 8.240 nan 0.000 0.515 337 A N 0.343 123.190 122.820 0.044 0.000 2.483 337 A HA 0.816 5.135 4.320 -0.001 0.000 0.306 337 A C -1.961 175.672 177.584 0.081 0.000 1.137 337 A CA -0.928 51.170 52.037 0.103 0.000 0.626 337 A CB 0.538 19.596 19.000 0.096 0.000 1.352 337 A HN 0.970 nan 8.150 nan 0.000 0.508 338 I N -0.085 120.543 120.570 0.096 0.000 2.769 338 I HA 0.601 4.771 4.170 -0.001 0.000 0.298 338 I C -0.916 175.242 176.117 0.067 0.000 1.128 338 I CA -1.009 60.331 61.300 0.067 0.000 1.031 338 I CB 2.242 40.279 38.000 0.063 0.000 1.235 338 I HN 0.782 nan 8.210 nan 0.000 0.423 339 V N 5.233 125.177 119.914 0.049 0.000 2.680 339 V HA 0.497 4.617 4.120 -0.001 0.000 0.309 339 V C -0.829 175.288 176.094 0.037 0.000 1.052 339 V CA -0.401 61.927 62.300 0.048 0.000 0.908 339 V CB 1.806 33.657 31.823 0.047 0.000 1.001 339 V HN 0.859 nan 8.190 nan 0.000 0.431 340 Q N 4.854 124.675 119.800 0.036 0.000 2.377 340 Q HA 0.500 4.840 4.340 -0.001 0.000 0.249 340 Q C -1.099 174.916 176.000 0.025 0.000 1.005 340 Q CA -0.366 55.453 55.803 0.028 0.000 0.912 340 Q CB 0.799 29.552 28.738 0.026 0.000 1.223 340 Q HN 0.852 nan 8.270 nan 0.000 0.459 341 I N 5.154 125.737 120.570 0.022 0.000 2.328 341 I HA 0.267 4.437 4.170 -0.001 0.000 0.287 341 I C 0.567 176.693 176.117 0.015 0.000 1.012 341 I CA -0.557 60.754 61.300 0.019 0.000 1.195 341 I CB 1.115 39.127 38.000 0.019 0.000 1.350 341 I HN 0.836 nan 8.210 nan 0.000 0.464 342 R N 4.193 124.702 120.500 0.015 0.000 3.883 342 R HA -0.344 3.996 4.340 -0.001 0.000 0.407 342 R C 1.231 177.538 176.300 0.011 0.000 0.242 342 R CA 2.648 58.755 56.100 0.012 0.000 1.306 342 R CB -0.935 29.371 30.300 0.010 0.000 0.973 342 R HN 0.761 nan 8.270 nan 0.000 0.574 343 N N 0.488 119.194 118.700 0.009 0.000 2.309 343 N HA -0.076 4.663 4.740 -0.001 0.000 0.182 343 N C -0.027 175.488 175.510 0.009 0.000 1.018 343 N CA 0.688 53.742 53.050 0.008 0.000 0.876 343 N CB 0.003 38.494 38.487 0.006 0.000 0.972 343 N HN 0.207 nan 8.380 nan 0.000 0.434 344 R N 1.479 121.985 120.500 0.011 0.000 2.486 344 R HA 0.258 4.597 4.340 -0.001 0.000 0.286 344 R C -0.499 175.810 176.300 0.014 0.000 0.999 344 R CA -0.297 55.810 56.100 0.011 0.000 0.993 344 R CB 1.210 31.516 30.300 0.010 0.000 1.084 344 R HN 0.130 nan 8.270 nan 0.000 0.487 345 E N 3.009 123.218 120.200 0.015 0.000 2.130 345 E HA 0.155 4.505 4.350 -0.001 0.000 0.284 345 E C -0.342 176.269 176.600 0.019 0.000 1.018 345 E CA -0.279 56.133 56.400 0.020 0.000 0.817 345 E CB 0.988 30.700 29.700 0.020 0.000 1.078 345 E HN 0.086 nan 8.360 nan 0.000 0.396 346 M N 5.325 124.938 119.600 0.021 0.000 2.113 346 M HA 0.302 4.781 4.480 -0.001 0.000 0.352 346 M C -2.294 174.017 176.300 0.018 0.000 1.170 346 M CA -3.062 52.248 55.300 0.017 0.000 1.053 346 M CB 0.460 33.070 32.600 0.017 0.000 1.601 346 M HN 0.183 nan 8.290 nan 0.000 0.459 347 P HA 0.384 nan 4.420 nan 0.000 0.274 347 P C -0.784 176.515 177.300 -0.001 0.000 1.231 347 P CA -0.281 62.825 63.100 0.010 0.000 0.790 347 P CB 1.051 32.754 31.700 0.004 0.000 0.951 348 V N -1.414 118.501 119.914 0.001 0.000 3.178 348 V HA 0.571 4.690 4.120 -0.001 0.000 0.302 348 V C -0.707 175.380 176.094 -0.011 0.000 1.262 348 V CA -1.326 60.968 62.300 -0.010 0.000 1.030 348 V CB 1.968 33.798 31.823 0.011 0.000 1.074 348 V HN 0.469 nan 8.190 nan 0.000 0.438 349 K N 1.587 121.973 120.400 -0.023 0.000 2.174 349 K HA 0.736 5.056 4.320 -0.001 0.000 0.275 349 K C -1.102 175.496 176.600 -0.003 0.000 1.015 349 K CA -0.516 55.759 56.287 -0.020 0.000 0.933 349 K CB 1.741 34.223 32.500 -0.030 0.000 1.025 349 K HN 0.727 nan 8.250 nan 0.000 0.463 350 V N 4.121 124.020 119.914 -0.026 0.000 2.394 350 V HA 0.350 4.469 4.120 -0.001 0.000 0.282 350 V C 0.033 176.093 176.094 -0.056 0.000 1.031 350 V CA -0.457 61.816 62.300 -0.045 0.000 0.881 350 V CB 1.244 33.008 31.823 -0.099 0.000 0.982 350 V HN 1.081 nan 8.190 nan 0.000 0.451 351 T N 1.929 116.444 114.554 -0.064 0.000 2.864 351 T HA 0.600 4.949 4.350 -0.001 0.000 0.289 351 T C -0.443 174.153 174.700 -0.173 0.000 1.082 351 T CA -1.108 60.924 62.100 -0.113 0.000 1.009 351 T CB 1.556 70.353 68.868 -0.118 0.000 1.234 351 T HN 0.417 nan 8.240 nan 0.000 0.526 352 K N 1.856 122.132 120.400 -0.208 0.000 2.380 352 K HA 0.244 4.563 4.320 -0.001 0.000 0.267 352 K C -2.001 174.383 176.600 -0.359 0.000 0.990 352 K CA -1.602 54.549 56.287 -0.226 0.000 0.946 352 K CB 0.209 32.591 32.500 -0.197 0.000 0.937 352 K HN 0.436 nan 8.250 nan 0.000 0.491 353 P HA 0.004 nan 4.420 nan 0.000 0.249 353 P C -0.977 176.102 177.300 -0.367 0.000 1.686 353 P CA 0.316 63.247 63.100 -0.282 0.000 0.873 353 P CB 0.067 31.712 31.700 -0.092 0.000 1.828 354 V N 0.251 119.768 119.914 -0.662 0.000 2.950 354 V HA 0.353 4.473 4.120 -0.001 0.000 0.295 354 V C -0.630 175.095 176.094 -0.616 0.000 1.297 354 V CA -0.518 61.517 62.300 -0.442 0.000 0.962 354 V CB 1.556 33.237 31.823 -0.235 0.000 1.081 354 V HN -0.074 nan 8.190 nan 0.000 0.432 355 F N 4.428 124.353 119.950 -0.043 0.000 2.711 355 F HA 0.513 5.040 4.527 -0.001 0.000 0.296 355 F C 0.421 176.201 175.800 -0.034 0.000 1.096 355 F CA -0.016 57.964 58.000 -0.033 0.000 1.280 355 F CB 1.028 40.010 39.000 -0.031 0.000 1.060 355 F HN 0.285 nan 8.300 nan 0.000 0.608 356 V N 0.731 120.725 119.914 0.135 0.000 2.482 356 V HA 0.360 4.480 4.120 -0.001 0.000 0.295 356 V C 0.298 176.398 176.094 0.010 0.000 1.026 356 V CA -0.649 61.689 62.300 0.062 0.000 0.856 356 V CB 1.889 33.750 31.823 0.064 0.000 1.001 356 V HN -0.005 nan 8.190 nan 0.000 0.424 357 R N 3.410 123.901 120.500 -0.014 0.000 2.087 357 R HA 0.269 4.608 4.340 -0.001 0.000 0.216 357 R C 0.475 176.756 176.300 -0.032 0.000 1.114 357 R CA 1.016 57.094 56.100 -0.037 0.000 1.002 357 R CB 0.404 30.672 30.300 -0.053 0.000 0.903 357 R HN 0.665 nan 8.270 nan 0.000 0.445 358 N N -0.214 118.470 118.700 -0.027 0.000 2.648 358 N HA 0.182 4.922 4.740 -0.001 0.000 0.261 358 N C -0.587 174.906 175.510 -0.029 0.000 1.138 358 N CA 0.462 53.495 53.050 -0.029 0.000 0.804 358 N CB 1.711 40.181 38.487 -0.030 0.000 1.237 358 N HN 0.425 nan 8.380 nan 0.000 0.532 359 G N 1.743 110.521 108.800 -0.036 0.000 2.271 359 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.277 359 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.277 359 G C 0.415 175.301 174.900 -0.023 0.000 1.004 359 G CA 1.864 46.939 45.100 -0.042 0.000 0.679 359 G HN 0.616 nan 8.290 nan 0.000 0.540 360 K N -0.767 119.626 120.400 -0.012 0.000 2.512 360 K HA 0.800 5.120 4.320 -0.001 0.000 0.263 360 K C 0.265 176.869 176.600 0.007 0.000 0.966 360 K CA -0.020 56.264 56.287 -0.004 0.000 0.851 360 K CB 1.151 33.645 32.500 -0.010 0.000 1.395 360 K HN 0.829 nan 8.250 nan 0.000 0.440 361 A N 1.544 124.373 122.820 0.014 0.000 2.366 361 A HA 0.504 4.823 4.320 -0.001 0.000 0.250 361 A C -0.408 177.188 177.584 0.019 0.000 1.099 361 A CA -0.358 51.698 52.037 0.032 0.000 0.794 361 A CB 0.274 19.299 19.000 0.042 0.000 1.056 361 A HN 0.437 nan 8.150 nan 0.000 0.499 362 V N 0.000 119.928 119.914 0.024 0.000 2.409 362 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 362 V CA 0.000 62.296 62.300 -0.006 0.000 1.235 362 V CB 0.000 31.796 31.823 -0.045 0.000 1.184 362 V HN 0.000 nan 8.190 nan 0.000 0.556