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 1gpe_1_B DATA FIRST_RESID 1 DATA SEQUENCE YLPAQQIDVQ SSLLSDPSKV AGKTYDYIIA GGGLTGLTVA AKLTENPKIK DATA SEQUENCE VLVIEKGFYE SNDGAIIEDP NAYGQIFGTT VDQNYLTVPL INNRTNNIKA DATA SEQUENCE GKGLGGSTLI NGDSWTRPDK VQIDSWEKVF GMEGWNWDNM FEYMKKAEAA DATA SEQUENCE RTPTAAQLAA GHSFNATcHG TNGTVQSGAR DNGQPWSPIM KALMNTVSAL DATA SEQUENCE GVPVQQDFLc GHPRGVSMIM NNLDENQVRV DAARAWLLPN YQRSNLEILT DATA SEQUENCE GQMVGKVLFK QTASGPQAVG VNFGTNKAVN FDVFAKHEVL LAAGSAISPL DATA SEQUENCE ILEYSGIGLK SVLDQANVTQ LLDLPVGINM QDQTTTTVSS RASSAGAGQG DATA SEQUENCE QAVFFANFTE TFGDYAPQAR DLLNTKLDQW AEETVARGGF HNVTALKVQY DATA SEQUENCE ENYRNWLLDE DVAFAELFMD TEGKINFDLW DLIPFTRGSV HILSSDPYLW DATA SEQUENCE QFANDPKFFL NEFDLLGQAA ASKLARDLTS QGAMKEYFAG ETLPGYNLVQ DATA SEQUENCE NATLSQWSDY VLQNFRPNWH AVSSCSMMSR ELGGVVDATA KVYGTQGLRV DATA SEQUENCE IDGSIPPTQV SSHVMTIFYG MALKVADAIL DDYAKSA 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 Y HA 0.000 nan 4.550 nan 0.000 0.201 1 Y C 0.000 175.887 175.900 -0.021 0.000 1.272 1 Y CA 0.000 58.086 58.100 -0.023 0.000 1.940 1 Y CB 0.000 38.448 38.460 -0.020 0.000 1.050 2 L N 8.635 129.302 121.223 -0.927 0.000 2.406 2 L HA 0.707 5.360 4.340 0.521 0.000 0.272 2 L C -2.577 173.682 176.870 -1.018 0.000 0.980 2 L CA -2.105 52.276 54.840 -0.765 0.000 0.831 2 L CB 2.083 43.937 42.059 -0.342 0.000 1.253 2 L HN 0.463 nan 8.230 nan 0.000 0.406 3 P HA 0.224 nan 4.420 nan 0.000 0.263 3 P C -0.402 176.789 177.300 -0.181 0.000 1.345 3 P CA 0.037 62.939 63.100 -0.330 0.000 1.119 3 P CB 0.431 32.093 31.700 -0.063 0.000 1.363 4 A N 4.263 126.995 122.820 -0.147 0.000 2.599 4 A HA 0.254 4.887 4.320 0.521 0.000 0.257 4 A C 0.305 177.875 177.584 -0.023 0.000 1.641 4 A CA -0.351 51.639 52.037 -0.079 0.000 0.842 4 A CB 0.007 18.968 19.000 -0.065 0.000 1.599 4 A HN 0.468 nan 8.150 nan 0.000 0.585 5 Q N 0.070 119.864 119.800 -0.009 0.000 2.288 5 Q HA 0.368 5.020 4.340 0.521 0.000 0.258 5 Q C -1.189 174.832 176.000 0.034 0.000 0.957 5 Q CA -0.166 55.643 55.803 0.010 0.000 0.919 5 Q CB 0.910 29.651 28.738 0.006 0.000 1.185 5 Q HN 0.374 nan 8.270 nan 0.000 0.408 6 Q N 2.167 121.995 119.800 0.046 0.000 2.330 6 Q HA 0.426 5.078 4.340 0.521 0.000 0.269 6 Q C -0.654 175.385 176.000 0.064 0.000 1.022 6 Q CA -0.511 55.338 55.803 0.076 0.000 0.796 6 Q CB 1.813 30.612 28.738 0.102 0.000 1.271 6 Q HN 0.634 nan 8.270 nan 0.000 0.450 7 I N 1.836 122.442 120.570 0.060 0.000 2.648 7 I HA -0.080 4.403 4.170 0.521 0.000 0.284 7 I C 0.638 176.733 176.117 -0.038 0.000 1.153 7 I CA 0.095 61.404 61.300 0.015 0.000 1.426 7 I CB 0.521 38.533 38.000 0.021 0.000 1.381 7 I HN 0.455 nan 8.210 nan 0.000 0.571 8 D N 6.683 127.051 120.400 -0.054 0.000 2.435 8 D HA 0.078 5.031 4.640 0.521 0.000 0.230 8 D C 0.734 176.865 176.300 -0.282 0.000 1.215 8 D CA -0.046 53.901 54.000 -0.089 0.000 0.947 8 D CB 0.953 41.733 40.800 -0.034 0.000 1.048 8 D HN 0.248 nan 8.370 nan 0.000 0.512 9 V N 3.429 122.942 119.914 -0.669 0.000 2.488 9 V HA -0.202 4.231 4.120 0.521 0.000 0.246 9 V C 2.390 178.097 176.094 -0.645 0.000 1.046 9 V CA 1.330 62.975 62.300 -1.091 0.000 1.053 9 V CB -0.512 30.114 31.823 -1.995 0.000 0.679 9 V HN 0.503 nan 8.190 nan 0.000 0.458 10 Q N 1.010 120.572 119.800 -0.397 0.000 2.077 10 Q HA -0.219 4.433 4.340 0.521 0.000 0.206 10 Q C 2.200 178.172 176.000 -0.047 0.000 0.989 10 Q CA 2.498 58.254 55.803 -0.079 0.000 0.853 10 Q CB -0.639 28.156 28.738 0.095 0.000 0.907 10 Q HN 0.580 nan 8.270 nan 0.000 0.418 11 S N -0.544 115.124 115.700 -0.054 0.000 2.500 11 S HA -0.046 4.736 4.470 0.521 0.000 0.239 11 S C 1.479 176.084 174.600 0.008 0.000 0.989 11 S CA 0.941 59.133 58.200 -0.012 0.000 0.951 11 S CB -0.083 63.111 63.200 -0.010 0.000 0.759 11 S HN 0.331 nan 8.310 nan 0.000 0.523 12 S N 0.491 116.194 115.700 0.004 0.000 2.540 12 S HA 0.349 5.131 4.470 0.521 0.000 0.218 12 S C 0.483 175.133 174.600 0.084 0.000 0.977 12 S CA -0.150 58.100 58.200 0.083 0.000 0.918 12 S CB 0.201 63.548 63.200 0.246 0.000 0.806 12 S HN 0.318 nan 8.310 nan 0.000 0.496 13 L N 1.079 122.322 121.223 0.033 0.000 2.416 13 L HA 0.527 5.180 4.340 0.521 0.000 0.263 13 L C -0.266 176.634 176.870 0.051 0.000 1.065 13 L CA -0.942 53.926 54.840 0.045 0.000 0.798 13 L CB 0.515 42.587 42.059 0.023 0.000 1.267 13 L HN 0.041 nan 8.230 nan 0.000 0.467 14 L N 0.190 121.436 121.223 0.040 0.000 2.350 14 L HA 0.272 4.924 4.340 0.521 0.000 0.275 14 L C 0.567 177.467 176.870 0.050 0.000 1.099 14 L CA 0.053 54.913 54.840 0.034 0.000 0.808 14 L CB 1.478 43.542 42.059 0.007 0.000 1.149 14 L HN 0.794 nan 8.230 nan 0.000 0.442 15 S N -1.910 113.832 115.700 0.070 0.000 2.817 15 S HA 0.094 4.877 4.470 0.521 0.000 0.262 15 S C -0.066 174.585 174.600 0.085 0.000 1.051 15 S CA -0.534 57.738 58.200 0.119 0.000 1.185 15 S CB 0.243 63.567 63.200 0.207 0.000 1.152 15 S HN 0.606 nan 8.310 nan 0.000 0.653 16 D N 3.604 124.030 120.400 0.043 0.000 2.359 16 D HA 0.362 5.314 4.640 0.521 0.000 0.230 16 D C -1.583 174.695 176.300 -0.036 0.000 1.118 16 D CA -2.177 51.830 54.000 0.012 0.000 0.844 16 D CB 1.960 42.763 40.800 0.005 0.000 1.059 16 D HN 0.027 nan 8.370 nan 0.000 0.493 17 P HA -0.136 nan 4.420 nan 0.000 0.221 17 P C 1.198 178.252 177.300 -0.411 0.000 1.150 17 P CA 0.672 63.676 63.100 -0.160 0.000 0.800 17 P CB 0.166 31.744 31.700 -0.203 0.000 0.787 18 S N -0.337 115.120 115.700 -0.404 0.000 2.474 18 S HA -0.057 4.725 4.470 0.521 0.000 0.235 18 S C 1.763 176.297 174.600 -0.110 0.000 0.997 18 S CA 0.570 58.593 58.200 -0.295 0.000 0.949 18 S CB -0.778 62.331 63.200 -0.151 0.000 0.766 18 S HN 0.044 nan 8.310 nan 0.000 0.517 19 K N 1.170 121.532 120.400 -0.063 0.000 2.365 19 K HA 0.103 4.735 4.320 0.521 0.000 0.199 19 K C 1.955 178.579 176.600 0.040 0.000 1.045 19 K CA 1.190 57.476 56.287 -0.002 0.000 0.962 19 K CB 0.014 32.520 32.500 0.010 0.000 0.759 19 K HN 0.623 nan 8.250 nan 0.000 0.469 20 V N -2.712 117.230 119.914 0.046 0.000 3.539 20 V HA 0.384 4.816 4.120 0.521 0.000 0.262 20 V C 0.749 176.963 176.094 0.199 0.000 1.381 20 V CA -0.075 62.311 62.300 0.142 0.000 1.060 20 V CB 0.036 31.895 31.823 0.060 0.000 0.842 20 V HN -0.002 nan 8.190 nan 0.000 0.445 21 A N 1.261 124.170 122.820 0.149 0.000 2.580 21 A HA 0.426 5.059 4.320 0.521 0.000 0.244 21 A C 1.741 179.435 177.584 0.183 0.000 1.045 21 A CA 1.071 53.216 52.037 0.181 0.000 0.761 21 A CB -1.082 17.910 19.000 -0.012 0.000 0.962 21 A HN 2.207 nan 8.150 nan 0.000 0.512 22 G N 1.860 110.786 108.800 0.210 0.000 2.189 22 G HA2 -0.273 4.000 3.960 0.521 0.000 0.267 22 G HA3 -0.273 4.000 3.960 0.521 0.000 0.267 22 G C 0.438 175.534 174.900 0.327 0.000 0.975 22 G CA 1.020 46.304 45.100 0.307 0.000 0.644 22 G HN 0.877 nan 8.290 nan 0.000 0.537 23 K N 0.025 120.570 120.400 0.241 0.000 2.117 23 K HA 0.553 5.186 4.320 0.521 0.000 0.240 23 K C -0.106 176.617 176.600 0.205 0.000 1.031 23 K CA 0.216 56.588 56.287 0.141 0.000 0.909 23 K CB 0.561 33.074 32.500 0.022 0.000 1.097 23 K HN 0.105 nan 8.250 nan 0.000 0.492 24 T N 1.382 115.933 114.554 -0.006 0.000 2.841 24 T HA 0.401 5.063 4.350 0.521 0.000 0.285 24 T C -1.228 173.363 174.700 -0.181 0.000 0.991 24 T CA -0.606 61.540 62.100 0.077 0.000 0.966 24 T CB 0.326 69.240 68.868 0.077 0.000 0.962 24 T HN 0.282 nan 8.240 nan 0.000 0.438 25 Y N 0.562 120.915 120.300 0.089 0.000 2.650 25 Y HA 0.382 5.246 4.550 0.522 0.000 0.331 25 Y C 1.442 177.380 175.900 0.062 0.000 1.082 25 Y CA -1.089 57.053 58.100 0.070 0.000 1.171 25 Y CB 1.038 39.531 38.460 0.055 0.000 1.326 25 Y HN 0.515 nan 8.280 nan 0.000 0.513 26 D N -0.305 120.239 120.400 0.241 0.000 2.120 26 D HA -0.081 4.872 4.640 0.521 0.000 0.202 26 D C -0.674 175.480 176.300 -0.243 0.000 0.972 26 D CA 1.790 55.852 54.000 0.103 0.000 0.837 26 D CB 0.133 41.033 40.800 0.166 0.000 0.989 26 D HN 0.342 nan 8.370 nan 0.000 0.469 27 Y N -0.569 119.849 120.300 0.196 0.000 2.477 27 Y HA 0.483 5.345 4.550 0.520 0.000 0.347 27 Y C -0.113 175.810 175.900 0.038 0.000 0.981 27 Y CA -0.765 57.401 58.100 0.110 0.000 1.033 27 Y CB 2.060 40.543 38.460 0.039 0.000 1.245 27 Y HN -0.302 nan 8.280 nan 0.000 0.455 28 I N 4.460 125.112 120.570 0.137 0.000 2.406 28 I HA 0.443 4.925 4.170 0.521 0.000 0.290 28 I C -0.870 175.250 176.117 0.006 0.000 0.999 28 I CA -0.573 60.720 61.300 -0.011 0.000 1.124 28 I CB 1.543 39.510 38.000 -0.056 0.000 1.289 28 I HN 0.444 nan 8.210 nan 0.000 0.441 29 I N 5.572 126.112 120.570 -0.051 0.000 2.362 29 I HA 0.450 4.932 4.170 0.521 0.000 0.289 29 I C 0.218 176.293 176.117 -0.069 0.000 0.994 29 I CA -0.557 60.716 61.300 -0.045 0.000 1.158 29 I CB 1.824 39.791 38.000 -0.055 0.000 1.315 29 I HN 0.591 nan 8.210 nan 0.000 0.451 30 A N 5.397 128.191 122.820 -0.044 0.000 2.316 30 A HA 0.732 5.364 4.320 0.521 0.000 0.311 30 A C 0.461 178.020 177.584 -0.042 0.000 1.339 30 A CA -0.054 51.963 52.037 -0.034 0.000 0.960 30 A CB -0.077 18.927 19.000 0.006 0.000 1.152 30 A HN 1.080 nan 8.150 nan 0.000 0.547 31 G N 1.201 109.969 108.800 -0.054 0.000 3.444 31 G HA2 0.347 4.620 3.960 0.521 0.000 0.685 31 G HA3 0.347 4.620 3.960 0.521 0.000 0.685 31 G C 0.131 174.999 174.900 -0.054 0.000 1.145 31 G CA -0.285 44.781 45.100 -0.056 0.000 0.973 31 G HN 1.637 nan 8.290 nan 0.000 0.525 32 G N 0.907 109.679 108.800 -0.047 0.000 4.420 32 G HA2 0.688 4.960 3.960 0.521 0.000 0.299 32 G HA3 0.688 4.960 3.960 0.521 0.000 0.299 32 G C 0.825 175.728 174.900 0.005 0.000 1.343 32 G CA 0.847 45.934 45.100 -0.021 0.000 1.272 32 G HN 1.223 nan 8.290 nan 0.000 0.610 33 G N -0.206 108.591 108.800 -0.006 0.000 2.695 33 G HA2 0.357 4.630 3.960 0.521 0.000 0.213 33 G HA3 0.357 4.630 3.960 0.521 0.000 0.213 33 G C 1.117 176.037 174.900 0.034 0.000 1.406 33 G CA -0.486 44.623 45.100 0.014 0.000 1.049 33 G HN 0.291 nan 8.290 nan 0.000 0.573 34 L N -0.183 121.055 121.223 0.024 0.000 1.955 34 L HA -0.127 4.526 4.340 0.521 0.000 0.213 34 L C 3.255 180.079 176.870 -0.076 0.000 1.072 34 L CA 2.868 57.700 54.840 -0.013 0.000 0.755 34 L CB -0.497 41.496 42.059 -0.110 0.000 0.888 34 L HN 0.711 nan 8.230 nan 0.000 0.432 35 T N -3.569 110.921 114.554 -0.107 0.000 2.857 35 T HA -0.039 4.624 4.350 0.521 0.000 0.266 35 T C 1.873 176.492 174.700 -0.135 0.000 1.048 35 T CA 0.703 62.719 62.100 -0.141 0.000 1.139 35 T CB -1.183 67.586 68.868 -0.165 0.000 0.874 35 T HN 0.468 nan 8.240 nan 0.000 0.455 36 G N 1.831 110.573 108.800 -0.097 0.000 2.446 36 G HA2 -0.066 4.207 3.960 0.521 0.000 0.217 36 G HA3 -0.066 4.207 3.960 0.521 0.000 0.217 36 G C 1.542 176.392 174.900 -0.083 0.000 1.168 36 G CA 0.803 45.853 45.100 -0.085 0.000 0.771 36 G HN 0.515 nan 8.290 nan 0.000 0.551 37 L N 0.365 121.562 121.223 -0.044 0.000 2.156 37 L HA -0.040 4.613 4.340 0.521 0.000 0.208 37 L C 3.170 179.949 176.870 -0.152 0.000 1.095 37 L CA 1.288 56.127 54.840 -0.001 0.000 0.770 37 L CB -0.667 41.479 42.059 0.144 0.000 0.914 37 L HN 0.186 nan 8.230 nan 0.000 0.439 38 T N -0.362 113.964 114.554 -0.380 0.000 2.674 38 T HA -0.159 4.504 4.350 0.521 0.000 0.265 38 T C 2.016 176.381 174.700 -0.559 0.000 1.039 38 T CA 1.403 62.946 62.100 -0.927 0.000 1.150 38 T CB -0.240 68.167 68.868 -0.768 0.000 0.864 38 T HN 0.048 nan 8.240 nan 0.000 0.427 39 V N 1.775 121.494 119.914 -0.326 0.000 2.343 39 V HA -0.165 4.267 4.120 0.521 0.000 0.247 39 V C 2.896 178.870 176.094 -0.199 0.000 1.051 39 V CA 1.617 63.772 62.300 -0.242 0.000 1.036 39 V CB -1.263 30.444 31.823 -0.194 0.000 0.654 39 V HN 0.535 nan 8.190 nan 0.000 0.451 40 A N 0.104 122.837 122.820 -0.145 0.000 1.908 40 A HA -0.172 4.460 4.320 0.521 0.000 0.218 40 A C 2.439 179.996 177.584 -0.045 0.000 1.181 40 A CA 2.296 54.283 52.037 -0.083 0.000 0.627 40 A CB -0.812 18.170 19.000 -0.030 0.000 0.818 40 A HN 0.579 nan 8.150 nan 0.000 0.445 41 A N -0.444 122.368 122.820 -0.014 0.000 1.877 41 A HA -0.131 4.501 4.320 0.521 0.000 0.216 41 A C 2.092 179.703 177.584 0.045 0.000 1.186 41 A CA 1.814 53.911 52.037 0.100 0.000 0.620 41 A CB -0.344 18.857 19.000 0.335 0.000 0.822 41 A HN 0.353 nan 8.150 nan 0.000 0.443 42 K N 0.052 120.419 120.400 -0.055 0.000 2.057 42 K HA 0.004 4.636 4.320 0.521 0.000 0.206 42 K C 1.894 178.441 176.600 -0.089 0.000 1.050 42 K CA 1.052 57.309 56.287 -0.050 0.000 0.935 42 K CB -0.783 31.656 32.500 -0.101 0.000 0.715 42 K HN 0.557 nan 8.250 nan 0.000 0.439 43 L N 1.181 122.312 121.223 -0.155 0.000 2.083 43 L HA -0.127 4.526 4.340 0.521 0.000 0.209 43 L C 2.141 178.922 176.870 -0.147 0.000 1.083 43 L CA 1.704 56.409 54.840 -0.225 0.000 0.752 43 L CB -0.955 40.895 42.059 -0.348 0.000 0.899 43 L HN 0.262 nan 8.230 nan 0.000 0.433 44 T N -4.374 110.137 114.554 -0.071 0.000 3.194 44 T HA 0.005 4.667 4.350 0.521 0.000 0.251 44 T C 1.297 175.991 174.700 -0.010 0.000 1.132 44 T CA 0.111 62.194 62.100 -0.027 0.000 1.028 44 T CB -0.051 68.825 68.868 0.013 0.000 0.976 44 T HN 0.337 nan 8.240 nan 0.000 0.535 45 E N 1.464 121.656 120.200 -0.012 0.000 2.204 45 E HA -0.029 4.634 4.350 0.521 0.000 0.194 45 E C 0.802 177.396 176.600 -0.010 0.000 0.989 45 E CA 0.244 56.647 56.400 0.005 0.000 0.824 45 E CB 0.024 29.736 29.700 0.020 0.000 0.756 45 E HN 0.399 nan 8.360 nan 0.000 0.477 46 N N 1.195 119.870 118.700 -0.043 0.000 2.408 46 N HA 0.013 5.065 4.740 0.521 0.000 0.257 46 N C -1.815 173.676 175.510 -0.032 0.000 1.064 46 N CA -1.859 51.163 53.050 -0.046 0.000 0.952 46 N CB 1.180 39.599 38.487 -0.114 0.000 1.093 46 N HN -0.132 nan 8.380 nan 0.000 0.490 47 P HA -0.083 nan 4.420 nan 0.000 0.226 47 P C 0.160 177.477 177.300 0.028 0.000 1.153 47 P CA 1.115 64.224 63.100 0.014 0.000 0.777 47 P CB 0.390 32.102 31.700 0.020 0.000 0.794 48 K N -0.545 119.877 120.400 0.036 0.000 2.400 48 K HA 0.171 4.803 4.320 0.521 0.000 0.194 48 K C 0.975 177.618 176.600 0.072 0.000 1.033 48 K CA 0.228 56.561 56.287 0.077 0.000 1.021 48 K CB 0.106 32.689 32.500 0.138 0.000 0.808 48 K HN 0.241 nan 8.250 nan 0.000 0.505 49 I N 2.742 123.304 120.570 -0.014 0.000 2.304 49 I HA 0.092 4.575 4.170 0.521 0.000 0.291 49 I C -0.278 175.884 176.117 0.075 0.000 1.018 49 I CA -0.486 60.799 61.300 -0.025 0.000 1.260 49 I CB 0.924 38.795 38.000 -0.215 0.000 1.390 49 I HN -0.092 nan 8.210 nan 0.000 0.475 50 K N 6.221 126.713 120.400 0.154 0.000 2.234 50 K HA 0.571 5.204 4.320 0.521 0.000 0.277 50 K C -0.954 175.831 176.600 0.310 0.000 1.038 50 K CA -0.582 55.830 56.287 0.207 0.000 0.888 50 K CB 2.216 34.822 32.500 0.176 0.000 1.091 50 K HN 0.306 nan 8.250 nan 0.000 0.467 51 V N 4.372 124.433 119.914 0.244 0.000 2.495 51 V HA 0.324 4.756 4.120 0.521 0.000 0.298 51 V C -0.802 175.287 176.094 -0.009 0.000 1.031 51 V CA -1.044 61.353 62.300 0.160 0.000 0.871 51 V CB 1.664 33.533 31.823 0.077 0.000 0.988 51 V HN 0.562 nan 8.190 nan 0.000 0.432 52 L N 6.263 127.334 121.223 -0.254 0.000 2.313 52 L HA 0.722 5.375 4.340 0.521 0.000 0.283 52 L C -0.601 176.086 176.870 -0.305 0.000 1.013 52 L CA 0.043 54.542 54.840 -0.568 0.000 0.816 52 L CB 1.755 43.040 42.059 -1.289 0.000 1.236 52 L HN 0.436 nan 8.230 nan 0.000 0.419 53 V N 6.817 126.594 119.914 -0.229 0.000 2.398 53 V HA 0.464 4.896 4.120 0.521 0.000 0.286 53 V C 0.060 176.032 176.094 -0.204 0.000 1.026 53 V CA -0.375 61.829 62.300 -0.161 0.000 0.868 53 V CB 1.485 33.256 31.823 -0.087 0.000 0.982 53 V HN 0.608 nan 8.190 nan 0.000 0.443 54 I N 4.356 124.806 120.570 -0.200 0.000 2.355 54 I HA 0.507 4.990 4.170 0.521 0.000 0.288 54 I C -0.349 175.687 176.117 -0.134 0.000 0.999 54 I CA -0.401 60.767 61.300 -0.220 0.000 1.163 54 I CB 1.708 39.542 38.000 -0.277 0.000 1.316 54 I HN 0.591 nan 8.210 nan 0.000 0.454 55 E N 6.322 126.436 120.200 -0.142 0.000 2.210 55 E HA 0.248 4.910 4.350 0.521 0.000 0.266 55 E C 0.344 176.835 176.600 -0.182 0.000 0.883 55 E CA -0.687 55.633 56.400 -0.133 0.000 0.761 55 E CB 1.836 31.463 29.700 -0.122 0.000 1.156 55 E HN 0.460 nan 8.360 nan 0.000 0.412 56 K N 2.523 122.836 120.400 -0.145 0.000 2.057 56 K HA -0.002 4.631 4.320 0.521 0.000 0.207 56 K C 0.871 177.295 176.600 -0.294 0.000 1.049 56 K CA 1.551 57.748 56.287 -0.150 0.000 0.931 56 K CB -0.241 32.192 32.500 -0.112 0.000 0.714 56 K HN 0.566 nan 8.250 nan 0.000 0.440 57 G N -0.819 107.807 108.800 -0.289 0.000 2.641 57 G HA2 0.436 4.709 3.960 0.521 0.000 0.239 57 G HA3 0.436 4.709 3.960 0.521 0.000 0.239 57 G C -0.647 173.856 174.900 -0.661 0.000 1.402 57 G CA -0.727 44.162 45.100 -0.352 0.000 1.046 57 G HN 0.144 nan 8.290 nan 0.000 0.565 58 F N -3.039 116.919 119.950 0.014 0.000 2.764 58 F HA 0.437 5.276 4.527 0.519 0.000 0.347 58 F C -0.723 175.114 175.800 0.063 0.000 1.151 58 F CA -0.845 57.182 58.000 0.045 0.000 1.021 58 F CB 1.243 40.268 39.000 0.042 0.000 1.438 58 F HN 0.383 nan 8.300 nan 0.000 0.516 59 Y N 1.721 122.140 120.300 0.200 0.000 2.436 59 Y HA 0.210 5.074 4.550 0.523 0.000 0.336 59 Y C 0.634 176.579 175.900 0.077 0.000 1.049 59 Y CA 0.143 58.291 58.100 0.078 0.000 1.294 59 Y CB 0.497 38.966 38.460 0.015 0.000 1.179 59 Y HN 0.446 nan 8.280 nan 0.000 0.520 60 E N 2.143 122.113 120.200 -0.384 0.000 2.641 60 E HA 0.056 4.719 4.350 0.521 0.000 0.224 60 E C 1.188 177.575 176.600 -0.355 0.000 0.951 60 E CA 0.192 56.447 56.400 -0.241 0.000 1.102 60 E CB 0.744 30.375 29.700 -0.116 0.000 1.091 60 E HN 0.652 nan 8.360 nan 0.000 0.507 61 S N 2.301 117.547 115.700 -0.757 0.000 2.481 61 S HA -0.089 4.693 4.470 0.521 0.000 0.231 61 S C 1.337 175.842 174.600 -0.158 0.000 0.996 61 S CA 0.768 58.706 58.200 -0.436 0.000 0.942 61 S CB -0.126 62.773 63.200 -0.502 0.000 0.768 61 S HN 0.327 nan 8.310 nan 0.000 0.520 62 N N 0.462 119.116 118.700 -0.078 0.000 2.279 62 N HA 0.085 5.137 4.740 0.521 0.000 0.226 62 N C -0.398 175.136 175.510 0.039 0.000 1.126 62 N CA -0.045 53.051 53.050 0.077 0.000 0.846 62 N CB -0.087 38.527 38.487 0.212 0.000 1.050 62 N HN -0.008 nan 8.380 nan 0.000 0.502 63 D N 0.426 120.820 120.400 -0.010 0.000 2.363 63 D HA 0.155 5.107 4.640 0.521 0.000 0.226 63 D C 1.215 177.521 176.300 0.010 0.000 1.020 63 D CA 1.130 55.126 54.000 -0.008 0.000 0.892 63 D CB 0.109 40.887 40.800 -0.037 0.000 0.900 63 D HN 0.550 nan 8.370 nan 0.000 0.531 64 G N 0.346 109.171 108.800 0.042 0.000 2.545 64 G HA2 -0.149 4.124 3.960 0.521 0.000 0.216 64 G HA3 -0.149 4.124 3.960 0.521 0.000 0.216 64 G C 1.057 175.977 174.900 0.034 0.000 1.314 64 G CA 0.241 45.396 45.100 0.092 0.000 0.906 64 G HN 0.293 nan 8.290 nan 0.000 0.563 65 A N -0.555 122.275 122.820 0.017 0.000 1.948 65 A HA 0.011 4.643 4.320 0.521 0.000 0.220 65 A C 2.564 179.999 177.584 -0.248 0.000 1.177 65 A CA 2.652 54.523 52.037 -0.277 0.000 0.636 65 A CB -0.459 18.441 19.000 -0.167 0.000 0.815 65 A HN 1.561 nan 8.150 nan 0.000 0.449 66 I N -0.951 119.538 120.570 -0.136 0.000 2.423 66 I HA -0.225 4.258 4.170 0.521 0.000 0.254 66 I C 1.698 177.736 176.117 -0.131 0.000 1.151 66 I CA 1.246 62.465 61.300 -0.135 0.000 1.421 66 I CB 0.047 37.986 38.000 -0.102 0.000 1.079 66 I HN 0.274 nan 8.210 nan 0.000 0.431 67 I N -0.163 120.340 120.570 -0.112 0.000 2.947 67 I HA -0.047 4.436 4.170 0.521 0.000 0.263 67 I C 2.228 178.287 176.117 -0.096 0.000 1.130 67 I CA 0.886 62.133 61.300 -0.088 0.000 1.448 67 I CB -1.165 36.789 38.000 -0.075 0.000 1.222 67 I HN 0.157 nan 8.210 nan 0.000 0.453 68 E N 0.589 120.719 120.200 -0.116 0.000 2.106 68 E HA -0.174 4.488 4.350 0.521 0.000 0.192 68 E C 0.374 176.840 176.600 -0.223 0.000 0.984 68 E CA 0.703 57.048 56.400 -0.091 0.000 0.806 68 E CB 0.078 29.818 29.700 0.068 0.000 0.750 68 E HN 0.234 nan 8.360 nan 0.000 0.458 69 D N 0.195 120.293 120.400 -0.504 0.000 2.313 69 D HA 0.030 4.982 4.640 0.521 0.000 0.239 69 D C -1.649 174.520 176.300 -0.218 0.000 1.142 69 D CA -2.562 51.118 54.000 -0.535 0.000 0.847 69 D CB 1.249 41.501 40.800 -0.913 0.000 1.082 69 D HN -0.173 nan 8.370 nan 0.000 0.480 70 P HA -0.144 nan 4.420 nan 0.000 0.218 70 P C 0.643 177.948 177.300 0.010 0.000 1.148 70 P CA 0.860 63.954 63.100 -0.011 0.000 0.822 70 P CB 0.360 32.072 31.700 0.019 0.000 0.784 71 N N 0.067 118.748 118.700 -0.031 0.000 2.512 71 N HA -0.023 5.029 4.740 0.521 0.000 0.183 71 N C 1.422 176.917 175.510 -0.025 0.000 1.073 71 N CA 0.823 53.866 53.050 -0.011 0.000 0.911 71 N CB -0.197 38.272 38.487 -0.029 0.000 0.964 71 N HN 0.163 nan 8.380 nan 0.000 0.447 72 A N 0.287 123.062 122.820 -0.075 0.000 2.337 72 A HA -0.006 4.626 4.320 0.521 0.000 0.227 72 A C 0.235 177.749 177.584 -0.116 0.000 1.259 72 A CA -0.531 51.441 52.037 -0.108 0.000 0.870 72 A CB -0.582 18.319 19.000 -0.165 0.000 0.927 72 A HN 0.292 nan 8.150 nan 0.000 0.497 73 Y N 0.812 121.015 120.300 -0.162 0.000 2.944 73 Y HA 0.185 5.042 4.550 0.512 0.000 0.340 73 Y C 1.417 177.110 175.900 -0.345 0.000 1.275 73 Y CA 1.413 59.392 58.100 -0.201 0.000 1.590 73 Y CB 0.007 38.410 38.460 -0.095 0.000 1.218 73 Y HN 0.592 nan 8.280 nan 0.000 0.576 74 G N 3.679 111.610 108.800 -1.447 0.000 2.284 74 G HA2 -0.328 3.944 3.960 0.521 0.000 0.230 74 G HA3 -0.328 3.944 3.960 0.521 0.000 0.230 74 G C 1.044 175.263 174.900 -1.135 0.000 1.021 74 G CA 0.465 44.453 45.100 -1.854 0.000 0.619 74 G HN 0.613 nan 8.290 nan 0.000 0.510 75 Q N -0.438 118.991 119.800 -0.619 0.000 2.224 75 Q HA 0.165 4.817 4.340 0.521 0.000 0.203 75 Q C 2.407 178.226 176.000 -0.302 0.000 0.970 75 Q CA 1.303 56.893 55.803 -0.356 0.000 0.865 75 Q CB -0.024 28.576 28.738 -0.230 0.000 0.922 75 Q HN 0.594 nan 8.270 nan 0.000 0.445 76 I N 0.233 120.591 120.570 -0.353 0.000 2.830 76 I HA -0.098 4.384 4.170 0.521 0.000 0.263 76 I C -0.170 175.921 176.117 -0.044 0.000 1.230 76 I CA 0.212 61.407 61.300 -0.175 0.000 1.480 76 I CB 0.026 37.944 38.000 -0.137 0.000 1.095 76 I HN -0.087 nan 8.210 nan 0.000 0.455 77 F N 1.499 121.318 119.950 -0.219 0.000 2.578 77 F HA 0.400 5.277 4.527 0.582 0.000 0.376 77 F C 1.783 177.479 175.800 -0.174 0.000 1.085 77 F CA -0.138 57.719 58.000 -0.238 0.000 1.260 77 F CB -0.597 38.235 39.000 -0.280 0.000 1.095 77 F HN 0.203 nan 8.300 nan 0.000 0.573 78 G N 1.298 110.111 108.800 0.022 0.000 2.217 78 G HA2 -0.272 4.000 3.960 0.521 0.000 0.246 78 G HA3 -0.272 4.000 3.960 0.521 0.000 0.246 78 G C 0.416 175.297 174.900 -0.032 0.000 0.990 78 G CA 0.240 45.326 45.100 -0.023 0.000 0.627 78 G HN 0.954 nan 8.290 nan 0.000 0.522 79 T N -2.009 112.527 114.554 -0.030 0.000 2.814 79 T HA 0.522 5.185 4.350 0.521 0.000 0.284 79 T C 1.874 176.552 174.700 -0.038 0.000 0.998 79 T CA 1.233 63.313 62.100 -0.033 0.000 0.935 79 T CB 0.851 69.697 68.868 -0.036 0.000 1.167 79 T HN 0.935 nan 8.240 nan 0.000 0.545 80 T N -1.843 112.697 114.554 -0.024 0.000 3.072 80 T HA -0.002 4.660 4.350 0.521 0.000 0.266 80 T C 1.678 176.367 174.700 -0.018 0.000 1.127 80 T CA 0.468 62.561 62.100 -0.012 0.000 1.107 80 T CB -0.597 68.284 68.868 0.022 0.000 0.910 80 T HN 0.368 nan 8.240 nan 0.000 0.513 81 V N 1.367 121.264 119.914 -0.028 0.000 3.461 81 V HA 0.117 4.550 4.120 0.521 0.000 0.267 81 V C 0.752 176.798 176.094 -0.080 0.000 1.186 81 V CA 0.517 62.795 62.300 -0.037 0.000 1.154 81 V CB -0.404 31.402 31.823 -0.029 0.000 0.802 81 V HN 0.496 nan 8.190 nan 0.000 0.474 82 D N -0.221 120.116 120.400 -0.105 0.000 2.317 82 D HA 0.164 5.116 4.640 0.521 0.000 0.234 82 D C 1.275 177.408 176.300 -0.278 0.000 1.112 82 D CA -0.257 53.631 54.000 -0.186 0.000 0.840 82 D CB 1.329 42.039 40.800 -0.150 0.000 1.078 82 D HN -0.010 nan 8.370 nan 0.000 0.486 83 Q N 2.591 122.132 119.800 -0.432 0.000 2.135 83 Q HA -0.188 4.465 4.340 0.521 0.000 0.204 83 Q C 0.453 176.077 176.000 -0.627 0.000 0.981 83 Q CA 0.891 56.292 55.803 -0.669 0.000 0.856 83 Q CB -0.465 27.452 28.738 -1.368 0.000 0.902 83 Q HN 0.693 nan 8.270 nan 0.000 0.425 84 N N -0.385 117.981 118.700 -0.557 0.000 2.714 84 N HA -0.199 4.854 4.740 0.521 0.000 0.253 84 N C -1.589 173.812 175.510 -0.181 0.000 1.024 84 N CA 0.232 53.076 53.050 -0.345 0.000 0.726 84 N CB -1.308 37.046 38.487 -0.221 0.000 0.908 84 N HN 0.121 nan 8.380 nan 0.000 0.542 85 Y N -0.121 120.159 120.300 -0.033 0.000 2.480 85 Y HA 0.303 5.148 4.550 0.491 0.000 0.338 85 Y C 0.970 176.944 175.900 0.123 0.000 1.220 85 Y CA -0.433 57.739 58.100 0.119 0.000 1.430 85 Y CB 0.419 38.960 38.460 0.134 0.000 1.311 85 Y HN 0.282 nan 8.280 nan 0.000 0.575 86 L N 3.365 124.794 121.223 0.345 0.000 2.295 86 L HA 0.460 5.112 4.340 0.521 0.000 0.285 86 L C 0.386 177.405 176.870 0.247 0.000 1.035 86 L CA -0.342 54.617 54.840 0.198 0.000 0.806 86 L CB 1.082 43.194 42.059 0.087 0.000 1.214 86 L HN 0.839 nan 8.230 nan 0.000 0.426 87 T N 1.705 116.379 114.554 0.200 0.000 2.824 87 T HA 0.570 5.232 4.350 0.521 0.000 0.277 87 T C 0.534 175.309 174.700 0.126 0.000 0.975 87 T CA -0.289 61.922 62.100 0.184 0.000 0.966 87 T CB 1.005 69.977 68.868 0.173 0.000 1.054 87 T HN 0.642 nan 8.240 nan 0.000 0.533 88 V N -2.084 117.896 119.914 0.110 0.000 3.319 88 V HA 0.447 4.879 4.120 0.521 0.000 0.303 88 V C -2.647 173.500 176.094 0.089 0.000 1.094 88 V CA -2.259 60.090 62.300 0.081 0.000 1.106 88 V CB -0.880 30.987 31.823 0.074 0.000 1.099 88 V HN 0.764 nan 8.190 nan 0.000 0.476 89 P HA 0.238 nan 4.420 nan 0.000 0.263 89 P C -0.230 177.139 177.300 0.115 0.000 1.195 89 P CA 0.286 63.438 63.100 0.086 0.000 0.762 89 P CB 0.225 31.966 31.700 0.069 0.000 0.799 90 L N 3.657 124.973 121.223 0.156 0.000 2.744 90 L HA 0.341 4.993 4.340 0.521 0.000 0.218 90 L C 2.207 179.216 176.870 0.231 0.000 1.190 90 L CA -0.678 54.299 54.840 0.229 0.000 0.869 90 L CB -0.090 42.194 42.059 0.374 0.000 1.652 90 L HN 0.268 nan 8.230 nan 0.000 0.519 91 I N 0.963 121.712 120.570 0.298 0.000 2.335 91 I HA -0.292 4.190 4.170 0.521 0.000 0.251 91 I C 1.698 177.961 176.117 0.244 0.000 1.129 91 I CA 1.444 62.899 61.300 0.257 0.000 1.402 91 I CB -0.089 38.085 38.000 0.290 0.000 1.069 91 I HN 0.796 nan 8.210 nan 0.000 0.424 92 N N 0.169 119.047 118.700 0.298 0.000 2.370 92 N HA -0.088 4.964 4.740 0.521 0.000 0.198 92 N C 0.236 175.820 175.510 0.123 0.000 1.156 92 N CA 0.258 53.430 53.050 0.204 0.000 0.839 92 N CB -0.593 38.023 38.487 0.215 0.000 0.989 92 N HN 0.257 nan 8.380 nan 0.000 0.468 93 N N -0.365 118.408 118.700 0.121 0.000 2.776 93 N HA -0.186 4.866 4.740 0.521 0.000 0.250 93 N C -1.021 174.528 175.510 0.065 0.000 1.112 93 N CA 0.599 53.700 53.050 0.086 0.000 0.733 93 N CB -1.086 37.441 38.487 0.068 0.000 1.097 93 N HN 0.593 nan 8.380 nan 0.000 0.558 94 R N -0.057 120.482 120.500 0.065 0.000 2.750 94 R HA 0.468 5.120 4.340 0.521 0.000 0.281 94 R C 0.478 176.809 176.300 0.052 0.000 0.972 94 R CA -0.502 55.621 56.100 0.038 0.000 0.912 94 R CB 1.376 31.677 30.300 0.002 0.000 1.187 94 R HN 0.163 nan 8.270 nan 0.000 0.464 95 T N -0.676 113.906 114.554 0.046 0.000 2.828 95 T HA 0.253 4.916 4.350 0.521 0.000 0.290 95 T C 0.219 174.951 174.700 0.054 0.000 1.019 95 T CA -0.614 61.524 62.100 0.064 0.000 1.031 95 T CB 0.887 69.789 68.868 0.056 0.000 1.001 95 T HN 0.362 nan 8.240 nan 0.000 0.531 96 N N 0.082 118.836 118.700 0.090 0.000 2.509 96 N HA 0.387 5.439 4.740 0.521 0.000 0.280 96 N C -1.521 174.065 175.510 0.128 0.000 1.306 96 N CA -0.742 52.359 53.050 0.083 0.000 0.782 96 N CB 2.141 40.673 38.487 0.074 0.000 1.493 96 N HN 0.725 nan 8.380 nan 0.000 0.498 97 N N -0.012 118.766 118.700 0.130 0.000 2.399 97 N HA 0.484 5.536 4.740 0.521 0.000 0.295 97 N C -0.723 174.877 175.510 0.149 0.000 1.048 97 N CA -0.362 52.739 53.050 0.086 0.000 0.886 97 N CB 1.926 40.398 38.487 -0.026 0.000 1.185 97 N HN 0.365 nan 8.380 nan 0.000 0.487 98 I N 2.086 122.699 120.570 0.073 0.000 2.312 98 I HA 0.210 4.693 4.170 0.521 0.000 0.290 98 I C -0.071 175.757 176.117 -0.482 0.000 1.008 98 I CA -0.877 60.437 61.300 0.024 0.000 1.226 98 I CB 0.758 38.908 38.000 0.251 0.000 1.371 98 I HN 0.210 nan 8.210 nan 0.000 0.468 99 K N 5.586 125.217 120.400 -1.283 0.000 2.298 99 K HA 0.734 5.367 4.320 0.521 0.000 0.280 99 K C -0.440 175.756 176.600 -0.673 0.000 1.032 99 K CA -0.248 55.289 56.287 -1.250 0.000 0.958 99 K CB 1.627 32.821 32.500 -2.178 0.000 0.978 99 K HN 0.736 nan 8.250 nan 0.000 0.472 100 A N 1.428 123.957 122.820 -0.486 0.000 2.594 100 A HA 0.594 5.226 4.320 0.521 0.000 0.296 100 A C -0.305 177.131 177.584 -0.247 0.000 1.061 100 A CA -0.555 51.319 52.037 -0.273 0.000 0.689 100 A CB 1.489 20.395 19.000 -0.156 0.000 1.280 100 A HN 0.599 nan 8.150 nan 0.000 0.406 101 G N 0.481 109.202 108.800 -0.131 0.000 2.444 101 G HA2 0.512 4.784 3.960 0.521 0.000 0.268 101 G HA3 0.512 4.784 3.960 0.521 0.000 0.268 101 G C -0.311 174.523 174.900 -0.109 0.000 1.203 101 G CA -0.320 44.722 45.100 -0.097 0.000 0.835 101 G HN 0.727 nan 8.290 nan 0.000 0.543 102 K N 1.441 121.779 120.400 -0.103 0.000 2.521 102 K HA 0.588 5.220 4.320 0.521 0.000 0.248 102 K C -0.174 176.396 176.600 -0.050 0.000 0.978 102 K CA -0.247 55.983 56.287 -0.095 0.000 0.947 102 K CB 0.777 33.210 32.500 -0.112 0.000 1.165 102 K HN 1.048 nan 8.250 nan 0.000 0.445 103 G N 2.522 111.290 108.800 -0.053 0.000 2.353 103 G HA2 0.049 4.321 3.960 0.521 0.000 0.308 103 G HA3 0.049 4.321 3.960 0.521 0.000 0.308 103 G C -1.430 173.454 174.900 -0.026 0.000 1.418 103 G CA -1.147 43.935 45.100 -0.030 0.000 0.966 103 G HN 0.457 nan 8.290 nan 0.000 0.638 104 L N 1.296 122.518 121.223 -0.003 0.000 2.513 104 L HA 0.363 5.015 4.340 0.521 0.000 0.272 104 L C 1.718 178.603 176.870 0.026 0.000 1.187 104 L CA 1.821 56.682 54.840 0.035 0.000 0.895 104 L CB 0.484 42.615 42.059 0.120 0.000 1.147 104 L HN 2.068 nan 8.230 nan 0.000 0.483 105 G N 1.561 110.398 108.800 0.062 0.000 2.218 105 G HA2 -0.113 4.160 3.960 0.521 0.000 0.216 105 G HA3 -0.113 4.160 3.960 0.521 0.000 0.216 105 G C 0.719 175.658 174.900 0.066 0.000 0.994 105 G CA -0.152 45.004 45.100 0.093 0.000 0.637 105 G HN 1.312 nan 8.290 nan 0.000 0.505 106 G N 0.111 108.924 108.800 0.023 0.000 2.614 106 G HA2 -0.184 4.088 3.960 0.521 0.000 0.303 106 G HA3 -0.184 4.088 3.960 0.521 0.000 0.303 106 G C 1.250 176.159 174.900 0.015 0.000 1.270 106 G CA 1.291 46.394 45.100 0.006 0.000 0.988 106 G HN 1.461 nan 8.290 nan 0.000 0.551 107 S N 0.941 116.654 115.700 0.021 0.000 2.547 107 S HA 0.012 4.794 4.470 0.521 0.000 0.235 107 S C 2.466 177.117 174.600 0.086 0.000 0.980 107 S CA 2.084 60.303 58.200 0.031 0.000 0.941 107 S CB -0.443 62.764 63.200 0.012 0.000 0.763 107 S HN 1.393 nan 8.310 nan 0.000 0.532 108 T N -0.156 114.462 114.554 0.107 0.000 3.072 108 T HA 0.157 4.819 4.350 0.521 0.000 0.266 108 T C 1.517 176.292 174.700 0.126 0.000 1.127 108 T CA 0.412 62.607 62.100 0.158 0.000 1.107 108 T CB -0.380 68.622 68.868 0.223 0.000 0.910 108 T HN 0.305 nan 8.240 nan 0.000 0.513 109 L N 0.558 121.828 121.223 0.078 0.000 2.217 109 L HA 0.283 4.936 4.340 0.521 0.000 0.211 109 L C 2.232 179.136 176.870 0.057 0.000 1.107 109 L CA 1.088 55.952 54.840 0.040 0.000 0.783 109 L CB -0.248 41.809 42.059 -0.003 0.000 0.919 109 L HN 0.489 nan 8.230 nan 0.000 0.442 110 I N -3.624 117.007 120.570 0.102 0.000 4.225 110 I HA 0.217 4.699 4.170 0.521 0.000 0.327 110 I C 0.381 176.690 176.117 0.320 0.000 1.422 110 I CA -0.708 60.685 61.300 0.154 0.000 1.150 110 I CB -0.005 38.086 38.000 0.151 0.000 1.192 110 I HN 0.080 nan 8.210 nan 0.000 0.440 111 N N 1.482 120.347 118.700 0.276 0.000 2.405 111 N HA 0.273 5.325 4.740 0.521 0.000 0.269 111 N C 1.154 176.775 175.510 0.186 0.000 1.249 111 N CA 0.009 53.247 53.050 0.314 0.000 0.974 111 N CB 0.377 39.002 38.487 0.230 0.000 1.204 111 N HN 0.027 nan 8.380 nan 0.000 0.565 112 G N -1.911 106.838 108.800 -0.083 0.000 2.920 112 G HA2 -0.030 4.243 3.960 0.521 0.000 0.208 112 G HA3 -0.030 4.243 3.960 0.521 0.000 0.208 112 G C -0.131 174.688 174.900 -0.135 0.000 1.159 112 G CA 0.112 44.921 45.100 -0.485 0.000 0.784 112 G HN 0.746 nan 8.290 nan 0.000 0.535 113 D N -0.661 119.767 120.400 0.046 0.000 3.046 113 D HA -0.152 4.801 4.640 0.521 0.000 0.210 113 D C 0.327 176.747 176.300 0.199 0.000 1.124 113 D CA 1.126 55.212 54.000 0.142 0.000 0.986 113 D CB -1.444 39.415 40.800 0.098 0.000 1.118 113 D HN 0.374 nan 8.370 nan 0.000 0.416 114 S N 0.108 115.873 115.700 0.107 0.000 2.516 114 S HA 0.148 4.930 4.470 0.521 0.000 0.282 114 S C 0.055 174.830 174.600 0.292 0.000 1.286 114 S CA -0.205 58.030 58.200 0.059 0.000 1.066 114 S CB 0.999 63.870 63.200 -0.548 0.000 0.884 114 S HN 0.260 nan 8.310 nan 0.000 0.491 115 W N 5.315 126.712 121.300 0.162 0.000 2.413 115 W HA 0.337 5.308 4.660 0.519 0.000 0.308 115 W C -0.413 176.286 176.519 0.300 0.000 0.997 115 W CA -0.601 56.887 57.345 0.238 0.000 1.447 115 W CB 0.980 30.575 29.460 0.225 0.000 1.263 115 W HN 0.789 nan 8.180 nan 0.000 0.416 116 T N 2.127 116.812 114.554 0.218 0.000 2.865 116 T HA 0.690 5.353 4.350 0.521 0.000 0.294 116 T C -0.756 173.979 174.700 0.059 0.000 1.119 116 T CA -0.858 61.404 62.100 0.269 0.000 1.007 116 T CB 2.929 72.108 68.868 0.517 0.000 1.225 116 T HN 0.452 nan 8.240 nan 0.000 0.515 117 R N 0.703 121.253 120.500 0.083 0.000 2.803 117 R HA 0.630 5.283 4.340 0.521 0.000 0.276 117 R C -2.748 173.551 176.300 -0.002 0.000 0.978 117 R CA -2.302 53.839 56.100 0.068 0.000 0.939 117 R CB 1.914 32.355 30.300 0.235 0.000 1.179 117 R HN 0.442 nan 8.270 nan 0.000 0.472 118 P HA -0.096 nan 4.420 nan 0.000 0.272 118 P C -0.853 176.274 177.300 -0.288 0.000 1.254 118 P CA -0.139 62.882 63.100 -0.131 0.000 0.795 118 P CB 0.449 32.122 31.700 -0.045 0.000 1.022 119 D N 0.283 120.411 120.400 -0.454 0.000 2.302 119 D HA -0.009 4.943 4.640 0.521 0.000 0.248 119 D C 1.128 176.996 176.300 -0.719 0.000 1.094 119 D CA -0.183 53.464 54.000 -0.588 0.000 0.897 119 D CB 0.750 41.245 40.800 -0.509 0.000 1.200 119 D HN 0.286 nan 8.370 nan 0.000 0.429 120 K N 2.711 122.454 120.400 -1.095 0.000 2.074 120 K HA -0.195 4.438 4.320 0.521 0.000 0.209 120 K C 1.784 178.101 176.600 -0.470 0.000 1.048 120 K CA 1.958 57.577 56.287 -1.113 0.000 0.926 120 K CB -0.172 31.548 32.500 -1.300 0.000 0.713 120 K HN 0.405 nan 8.250 nan 0.000 0.444 121 V N -0.936 118.694 119.914 -0.472 0.000 2.515 121 V HA -0.194 4.238 4.120 0.521 0.000 0.250 121 V C 1.995 177.864 176.094 -0.376 0.000 1.058 121 V CA 1.418 63.518 62.300 -0.333 0.000 1.064 121 V CB -0.600 31.039 31.823 -0.307 0.000 0.675 121 V HN 0.348 nan 8.190 nan 0.000 0.461 122 Q N -0.016 119.381 119.800 -0.670 0.000 2.046 122 Q HA -0.061 4.591 4.340 0.521 0.000 0.200 122 Q C 2.356 178.206 176.000 -0.249 0.000 0.975 122 Q CA 1.910 57.302 55.803 -0.686 0.000 0.836 122 Q CB -0.200 28.014 28.738 -0.874 0.000 0.896 122 Q HN 0.584 nan 8.270 nan 0.000 0.428 123 I N 1.149 121.498 120.570 -0.369 0.000 2.353 123 I HA -0.186 4.296 4.170 0.521 0.000 0.248 123 I C 1.531 177.565 176.117 -0.137 0.000 1.119 123 I CA 1.156 62.117 61.300 -0.565 0.000 1.417 123 I CB -1.052 36.808 38.000 -0.233 0.000 1.078 123 I HN 0.146 nan 8.210 nan 0.000 0.421 124 D N 0.965 121.388 120.400 0.037 0.000 2.144 124 D HA -0.141 4.811 4.640 0.521 0.000 0.199 124 D C 2.390 178.852 176.300 0.271 0.000 0.984 124 D CA 1.652 55.747 54.000 0.158 0.000 0.834 124 D CB -0.025 40.837 40.800 0.103 0.000 0.955 124 D HN 0.368 nan 8.370 nan 0.000 0.465 125 S N -0.474 115.443 115.700 0.363 0.000 2.442 125 S HA -0.166 4.616 4.470 0.521 0.000 0.236 125 S C 1.859 176.919 174.600 0.766 0.000 1.007 125 S CA 0.478 59.007 58.200 0.548 0.000 0.965 125 S CB -0.600 63.097 63.200 0.828 0.000 0.773 125 S HN 0.248 nan 8.310 nan 0.000 0.504 126 W N 2.153 123.749 121.300 0.493 0.000 2.358 126 W HA 0.116 5.087 4.660 0.518 0.000 0.303 126 W C 2.625 179.382 176.519 0.397 0.000 1.208 126 W CA 0.603 58.233 57.345 0.477 0.000 1.274 126 W CB -1.052 28.611 29.460 0.337 0.000 1.138 126 W HN 0.590 nan 8.180 nan 0.000 0.515 127 E N 0.143 120.690 120.200 0.579 0.000 2.042 127 E HA -0.134 4.528 4.350 0.521 0.000 0.189 127 E C 2.087 178.855 176.600 0.280 0.000 0.974 127 E CA 0.949 57.593 56.400 0.407 0.000 0.806 127 E CB 0.049 29.954 29.700 0.342 0.000 0.769 127 E HN -0.139 nan 8.360 nan 0.000 0.451 128 K N 0.214 120.761 120.400 0.244 0.000 2.155 128 K HA -0.028 4.605 4.320 0.521 0.000 0.203 128 K C 2.016 178.653 176.600 0.063 0.000 1.052 128 K CA 0.734 57.107 56.287 0.144 0.000 0.948 128 K CB 0.131 32.713 32.500 0.136 0.000 0.728 128 K HN 0.146 nan 8.250 nan 0.000 0.448 129 V N -0.577 119.346 119.914 0.016 0.000 2.806 129 V HA 0.013 4.446 4.120 0.521 0.000 0.239 129 V C 1.443 177.268 176.094 -0.449 0.000 1.113 129 V CA 0.663 62.786 62.300 -0.295 0.000 1.137 129 V CB -0.231 31.280 31.823 -0.519 0.000 0.865 129 V HN -0.006 nan 8.190 nan 0.000 0.482 130 F N 1.250 121.282 119.950 0.137 0.000 2.797 130 F HA 0.433 5.274 4.527 0.524 0.000 0.302 130 F C 1.926 177.782 175.800 0.094 0.000 1.130 130 F CA 0.702 58.750 58.000 0.080 0.000 1.387 130 F CB -0.428 38.590 39.000 0.030 0.000 1.107 130 F HN 0.279 nan 8.300 nan 0.000 0.577 131 G N 0.252 109.181 108.800 0.217 0.000 2.153 131 G HA2 -0.297 3.976 3.960 0.521 0.000 0.252 131 G HA3 -0.297 3.976 3.960 0.521 0.000 0.252 131 G C 0.338 175.382 174.900 0.239 0.000 0.994 131 G CA -0.156 45.059 45.100 0.191 0.000 0.698 131 G HN 0.100 nan 8.290 nan 0.000 0.521 132 M N 1.423 121.209 119.600 0.308 0.000 2.497 132 M HA 0.251 5.043 4.480 0.521 0.000 0.336 132 M C 0.683 177.283 176.300 0.501 0.000 1.378 132 M CA -0.652 54.860 55.300 0.353 0.000 1.375 132 M CB 0.185 32.905 32.600 0.199 0.000 1.337 132 M HN 0.496 nan 8.290 nan 0.000 0.461 133 E N 1.671 122.094 120.200 0.371 0.000 2.558 133 E HA 0.194 4.857 4.350 0.521 0.000 0.255 133 E C 1.151 177.919 176.600 0.280 0.000 0.968 133 E CA 1.122 57.693 56.400 0.285 0.000 0.939 133 E CB 0.346 30.165 29.700 0.199 0.000 0.921 133 E HN 0.928 nan 8.360 nan 0.000 0.477 134 G N 3.932 112.847 108.800 0.192 0.000 2.195 134 G HA2 -0.270 4.002 3.960 0.521 0.000 0.246 134 G HA3 -0.270 4.002 3.960 0.521 0.000 0.246 134 G C -0.375 174.498 174.900 -0.046 0.000 0.984 134 G CA 0.097 45.218 45.100 0.035 0.000 0.633 134 G HN 0.582 nan 8.290 nan 0.000 0.525 135 W N 2.696 124.123 121.300 0.211 0.000 2.120 135 W HA 0.614 5.587 4.660 0.523 0.000 0.371 135 W C 0.470 177.125 176.519 0.227 0.000 0.865 135 W CA -0.241 57.265 57.345 0.268 0.000 1.529 135 W CB 0.015 29.741 29.460 0.444 0.000 1.623 135 W HN 0.532 nan 8.180 nan 0.000 0.325 136 N N -0.762 118.090 118.700 0.254 0.000 2.571 136 N HA 0.256 5.308 4.740 0.521 0.000 0.273 136 N C 0.512 176.112 175.510 0.151 0.000 1.340 136 N CA -1.033 52.140 53.050 0.205 0.000 0.789 136 N CB 0.604 39.199 38.487 0.180 0.000 1.514 136 N HN 0.230 nan 8.380 nan 0.000 0.499 137 W N 0.945 122.232 121.300 -0.022 0.000 2.335 137 W HA -0.212 4.759 4.660 0.518 0.000 0.311 137 W C 0.039 176.571 176.519 0.022 0.000 1.213 137 W CA 2.141 59.456 57.345 -0.050 0.000 1.274 137 W CB -0.218 29.165 29.460 -0.128 0.000 1.148 137 W HN 0.543 nan 8.180 nan 0.000 0.498 138 D N 0.355 120.766 120.400 0.017 0.000 2.116 138 D HA -0.230 4.722 4.640 0.521 0.000 0.193 138 D C 1.659 177.909 176.300 -0.082 0.000 0.998 138 D CA 1.723 55.696 54.000 -0.044 0.000 0.836 138 D CB -0.861 39.969 40.800 0.050 0.000 0.951 138 D HN 0.168 nan 8.370 nan 0.000 0.449 139 N N -0.094 118.577 118.700 -0.048 0.000 2.142 139 N HA -0.077 4.976 4.740 0.521 0.000 0.186 139 N C 1.739 177.230 175.510 -0.031 0.000 1.023 139 N CA 0.755 53.776 53.050 -0.048 0.000 0.852 139 N CB -0.213 38.263 38.487 -0.019 0.000 0.998 139 N HN 0.153 nan 8.380 nan 0.000 0.424 140 M N -0.290 119.265 119.600 -0.074 0.000 2.254 140 M HA 0.000 4.792 4.480 0.521 0.000 0.265 140 M C 1.775 177.957 176.300 -0.197 0.000 1.066 140 M CA 0.565 55.829 55.300 -0.060 0.000 1.123 140 M CB -1.223 31.343 32.600 -0.057 0.000 1.388 140 M HN 0.028 nan 8.290 nan 0.000 0.425 141 F N 2.215 121.740 119.950 -0.708 0.000 2.095 141 F HA -0.215 4.624 4.527 0.519 0.000 0.298 141 F C 2.222 177.807 175.800 -0.358 0.000 1.104 141 F CA 1.677 59.207 58.000 -0.783 0.000 1.232 141 F CB -0.237 38.146 39.000 -1.029 0.000 0.987 141 F HN 0.153 nan 8.300 nan 0.000 0.475 142 E N -0.536 119.502 120.200 -0.270 0.000 2.051 142 E HA -0.244 4.418 4.350 0.521 0.000 0.192 142 E C 2.280 178.722 176.600 -0.263 0.000 0.991 142 E CA 1.622 57.835 56.400 -0.311 0.000 0.799 142 E CB -1.080 28.445 29.700 -0.293 0.000 0.748 142 E HN 0.484 nan 8.360 nan 0.000 0.449 143 Y N 0.487 120.696 120.300 -0.152 0.000 2.224 143 Y HA -0.094 4.769 4.550 0.522 0.000 0.289 143 Y C 2.504 178.377 175.900 -0.045 0.000 1.146 143 Y CA 1.156 59.208 58.100 -0.080 0.000 1.182 143 Y CB -0.318 38.098 38.460 -0.073 0.000 0.983 143 Y HN 0.014 nan 8.280 nan 0.000 0.524 144 M N -0.620 119.013 119.600 0.056 0.000 2.175 144 M HA -0.228 4.565 4.480 0.521 0.000 0.264 144 M C 2.047 178.349 176.300 0.003 0.000 1.063 144 M CA 1.631 56.953 55.300 0.036 0.000 1.119 144 M CB -0.263 32.303 32.600 -0.057 0.000 1.377 144 M HN 0.092 nan 8.290 nan 0.000 0.415 145 K N 0.309 120.606 120.400 -0.172 0.000 2.097 145 K HA -0.133 4.499 4.320 0.521 0.000 0.205 145 K C 1.912 178.494 176.600 -0.029 0.000 1.050 145 K CA 1.153 57.345 56.287 -0.158 0.000 0.938 145 K CB -0.085 32.204 32.500 -0.352 0.000 0.718 145 K HN 0.260 nan 8.250 nan 0.000 0.442 146 K N 0.282 120.670 120.400 -0.020 0.000 2.211 146 K HA -0.111 4.522 4.320 0.521 0.000 0.204 146 K C 1.889 178.564 176.600 0.124 0.000 1.047 146 K CA 1.115 57.425 56.287 0.037 0.000 0.935 146 K CB -0.002 32.522 32.500 0.040 0.000 0.728 146 K HN 0.131 nan 8.250 nan 0.000 0.452 147 A N 1.536 124.470 122.820 0.190 0.000 2.123 147 A HA -0.077 4.555 4.320 0.521 0.000 0.214 147 A C 0.654 178.333 177.584 0.159 0.000 1.152 147 A CA 0.498 52.688 52.037 0.254 0.000 0.728 147 A CB -0.148 19.063 19.000 0.351 0.000 0.814 147 A HN 0.445 nan 8.150 nan 0.000 0.464 148 E N -1.460 118.846 120.200 0.177 0.000 2.320 148 E HA 0.718 5.380 4.350 0.521 0.000 0.264 148 E C -0.898 175.738 176.600 0.059 0.000 0.923 148 E CA -0.871 55.615 56.400 0.143 0.000 0.796 148 E CB 1.810 31.743 29.700 0.388 0.000 1.262 148 E HN 0.126 nan 8.360 nan 0.000 0.428 149 A N 1.330 124.147 122.820 -0.006 0.000 2.545 149 A HA 0.643 5.276 4.320 0.521 0.000 0.300 149 A C -0.537 177.051 177.584 0.007 0.000 1.252 149 A CA -0.407 51.627 52.037 -0.004 0.000 0.753 149 A CB 0.768 19.734 19.000 -0.056 0.000 1.144 149 A HN 0.712 nan 8.150 nan 0.000 0.457 150 A N 2.774 125.659 122.820 0.109 0.000 2.316 150 A HA 0.738 5.371 4.320 0.521 0.000 0.284 150 A C 0.347 177.958 177.584 0.044 0.000 1.115 150 A CA -0.469 51.662 52.037 0.156 0.000 0.812 150 A CB 0.462 19.718 19.000 0.426 0.000 1.064 150 A HN 0.804 nan 8.150 nan 0.000 0.489 151 R N 0.810 121.275 120.500 -0.057 0.000 2.532 151 R HA 0.493 5.146 4.340 0.521 0.000 0.295 151 R C -0.140 175.895 176.300 -0.441 0.000 0.968 151 R CA -0.410 55.577 56.100 -0.188 0.000 0.916 151 R CB 1.606 31.809 30.300 -0.162 0.000 1.124 151 R HN 0.841 nan 8.270 nan 0.000 0.463 152 T N 0.341 114.509 114.554 -0.642 0.000 2.913 152 T HA 0.281 4.943 4.350 0.521 0.000 0.297 152 T C -1.992 172.353 174.700 -0.592 0.000 1.029 152 T CA -1.578 59.889 62.100 -1.055 0.000 1.104 152 T CB 0.702 69.064 68.868 -0.844 0.000 0.964 152 T HN 0.276 nan 8.240 nan 0.000 0.532 153 P HA 0.207 nan 4.420 nan 0.000 0.272 153 P C 0.562 177.696 177.300 -0.276 0.000 1.223 153 P CA -0.398 62.472 63.100 -0.384 0.000 0.784 153 P CB 0.165 31.638 31.700 -0.378 0.000 0.923 154 T N -2.106 112.318 114.554 -0.216 0.000 2.754 154 T HA 0.402 5.064 4.350 0.521 0.000 0.286 154 T C 1.452 176.068 174.700 -0.140 0.000 0.997 154 T CA -0.022 61.993 62.100 -0.142 0.000 0.982 154 T CB 0.245 69.069 68.868 -0.073 0.000 1.027 154 T HN 0.342 nan 8.240 nan 0.000 0.529 155 A N 0.678 123.441 122.820 -0.095 0.000 1.908 155 A HA 0.144 4.776 4.320 0.521 0.000 0.218 155 A C 2.659 180.175 177.584 -0.112 0.000 1.181 155 A CA 1.969 53.953 52.037 -0.088 0.000 0.627 155 A CB -1.608 17.360 19.000 -0.053 0.000 0.818 155 A HN 1.239 nan 8.150 nan 0.000 0.445 156 A N -0.958 121.808 122.820 -0.090 0.000 1.930 156 A HA -0.165 4.467 4.320 0.521 0.000 0.217 156 A C 2.106 179.401 177.584 -0.481 0.000 1.175 156 A CA 1.612 53.572 52.037 -0.128 0.000 0.627 156 A CB -0.482 18.589 19.000 0.118 0.000 0.815 156 A HN 0.658 nan 8.150 nan 0.000 0.443 157 Q N -0.403 119.133 119.800 -0.441 0.000 2.079 157 Q HA -0.050 4.602 4.340 0.521 0.000 0.200 157 Q C 2.042 177.819 176.000 -0.371 0.000 0.974 157 Q CA 1.382 56.795 55.803 -0.650 0.000 0.840 157 Q CB -0.315 28.147 28.738 -0.461 0.000 0.898 157 Q HN 0.673 nan 8.270 nan 0.000 0.430 158 L N 0.112 121.196 121.223 -0.232 0.000 2.017 158 L HA -0.202 4.451 4.340 0.521 0.000 0.208 158 L C 2.493 179.267 176.870 -0.160 0.000 1.073 158 L CA 1.085 55.846 54.840 -0.132 0.000 0.745 158 L CB -0.604 41.396 42.059 -0.100 0.000 0.894 158 L HN 0.228 nan 8.230 nan 0.000 0.432 159 A N -0.111 122.597 122.820 -0.186 0.000 1.972 159 A HA -0.127 4.505 4.320 0.521 0.000 0.219 159 A C 2.489 179.961 177.584 -0.186 0.000 1.169 159 A CA 1.563 53.510 52.037 -0.150 0.000 0.635 159 A CB -0.626 18.309 19.000 -0.110 0.000 0.810 159 A HN 0.408 nan 8.150 nan 0.000 0.446 160 A N -1.972 120.644 122.820 -0.340 0.000 2.015 160 A HA 0.332 4.964 4.320 0.521 0.000 0.219 160 A C 1.838 179.268 177.584 -0.257 0.000 1.163 160 A CA 1.922 53.759 52.037 -0.334 0.000 0.646 160 A CB -0.525 18.018 19.000 -0.762 0.000 0.806 160 A HN 1.668 nan 8.150 nan 0.000 0.448 161 G N -3.379 105.264 108.800 -0.261 0.000 2.870 161 G HA2 -0.050 4.222 3.960 0.521 0.000 0.216 161 G HA3 -0.050 4.222 3.960 0.521 0.000 0.216 161 G C 0.039 174.780 174.900 -0.264 0.000 0.973 161 G CA -0.059 44.901 45.100 -0.235 0.000 0.807 161 G HN 0.513 nan 8.290 nan 0.000 0.573 162 H N 0.850 119.784 119.070 -0.226 0.000 2.871 162 H HA 0.496 5.364 4.556 0.520 0.000 0.355 162 H C -0.312 174.957 175.328 -0.099 0.000 1.092 162 H CA 1.614 57.566 56.048 -0.160 0.000 1.420 162 H CB 1.648 31.308 29.762 -0.170 0.000 1.400 162 H HN 0.193 nan 8.280 nan 0.000 0.604 163 S N 3.262 119.017 115.700 0.091 0.000 2.668 163 S HA 0.279 5.061 4.470 0.521 0.000 0.277 163 S C -1.456 173.246 174.600 0.170 0.000 1.170 163 S CA -0.682 57.565 58.200 0.079 0.000 0.994 163 S CB 0.301 63.499 63.200 -0.003 0.000 1.051 163 S HN 0.436 nan 8.310 nan 0.000 0.484 164 F N 5.628 125.581 119.950 0.005 0.000 2.402 164 F HA 0.547 5.386 4.527 0.520 0.000 0.355 164 F C -0.103 175.726 175.800 0.047 0.000 1.123 164 F CA -0.680 57.320 58.000 -0.001 0.000 1.021 164 F CB 1.025 39.957 39.000 -0.113 0.000 1.160 164 F HN 0.589 nan 8.300 nan 0.000 0.451 165 N N 4.919 123.533 118.700 -0.144 0.000 2.558 165 N HA 0.261 5.313 4.740 0.521 0.000 0.233 165 N C 0.638 176.057 175.510 -0.152 0.000 1.038 165 N CA 0.258 53.280 53.050 -0.046 0.000 0.934 165 N CB 1.377 39.883 38.487 0.031 0.000 1.175 165 N HN 0.756 nan 8.380 nan 0.000 0.512 166 A N 2.473 125.259 122.820 -0.055 0.000 2.024 166 A HA -0.180 4.452 4.320 0.521 0.000 0.220 166 A C 1.968 179.602 177.584 0.083 0.000 1.164 166 A CA 2.166 54.221 52.037 0.030 0.000 0.643 166 A CB -0.990 18.160 19.000 0.249 0.000 0.806 166 A HN 0.757 nan 8.150 nan 0.000 0.451 167 T N -3.633 110.979 114.554 0.096 0.000 2.977 167 T HA -0.146 4.516 4.350 0.521 0.000 0.271 167 T C 1.482 176.283 174.700 0.168 0.000 1.105 167 T CA 1.518 63.695 62.100 0.128 0.000 1.116 167 T CB -0.993 67.959 68.868 0.139 0.000 0.878 167 T HN 0.459 nan 8.240 nan 0.000 0.509 168 c N 0.733 119.428 118.600 0.158 0.000 2.799 168 c HA 0.322 5.204 4.570 0.521 0.000 0.267 168 c C 0.837 174.829 174.090 -0.162 0.000 1.257 168 c CA -1.002 55.415 56.329 0.148 0.000 1.702 168 c CB -1.236 41.359 42.510 0.143 0.000 1.934 168 c HN 0.585 nan 8.230 nan 0.000 0.594 169 H N 0.664 119.684 119.070 -0.084 0.000 2.458 169 H HA 0.427 5.296 4.556 0.521 0.000 0.330 169 H C 0.462 175.790 175.328 0.000 0.000 1.111 169 H CA 0.082 56.119 56.048 -0.019 0.000 1.245 169 H CB 1.470 31.232 29.762 -0.001 0.000 1.456 169 H HN 0.323 nan 8.280 nan 0.000 0.488 170 G N 0.392 109.254 108.800 0.103 0.000 2.476 170 G HA2 0.225 4.497 3.960 0.521 0.000 0.269 170 G HA3 0.225 4.497 3.960 0.521 0.000 0.269 170 G C 0.812 175.777 174.900 0.109 0.000 1.195 170 G CA -0.289 44.841 45.100 0.050 0.000 0.843 170 G HN 0.696 nan 8.290 nan 0.000 0.545 171 T N -2.081 112.512 114.554 0.066 0.000 3.043 171 T HA 0.124 4.786 4.350 0.521 0.000 0.272 171 T C 1.041 175.751 174.700 0.017 0.000 0.990 171 T CA -0.148 61.988 62.100 0.060 0.000 0.897 171 T CB 0.284 69.188 68.868 0.060 0.000 1.111 171 T HN 0.401 nan 8.240 nan 0.000 0.529 172 N N 0.899 119.603 118.700 0.006 0.000 2.159 172 N HA 0.321 5.373 4.740 0.521 0.000 0.217 172 N C 0.904 176.399 175.510 -0.026 0.000 1.223 172 N CA 0.041 53.084 53.050 -0.013 0.000 0.896 172 N CB 0.618 39.099 38.487 -0.010 0.000 1.064 172 N HN 0.499 nan 8.380 nan 0.000 0.518 173 G N -1.037 107.752 108.800 -0.019 0.000 2.553 173 G HA2 0.132 4.404 3.960 0.521 0.000 0.278 173 G HA3 0.132 4.404 3.960 0.521 0.000 0.278 173 G C 0.640 175.464 174.900 -0.126 0.000 1.349 173 G CA 0.095 45.175 45.100 -0.033 0.000 1.037 173 G HN 0.177 nan 8.290 nan 0.000 0.508 174 T N -0.726 113.693 114.554 -0.225 0.000 2.976 174 T HA 0.033 4.695 4.350 0.521 0.000 0.257 174 T C 0.996 175.427 174.700 -0.449 0.000 1.051 174 T CA 0.400 62.218 62.100 -0.470 0.000 1.141 174 T CB 0.097 68.337 68.868 -1.046 0.000 0.881 174 T HN 0.119 nan 8.240 nan 0.000 0.461 175 V N 3.082 122.778 119.914 -0.363 0.000 2.368 175 V HA 0.244 4.676 4.120 0.521 0.000 0.266 175 V C 0.042 175.938 176.094 -0.330 0.000 1.045 175 V CA -0.732 61.352 62.300 -0.361 0.000 0.899 175 V CB 0.870 32.471 31.823 -0.369 0.000 1.006 175 V HN 0.377 nan 8.190 nan 0.000 0.470 176 Q N 2.912 122.534 119.800 -0.297 0.000 2.352 176 Q HA 0.456 5.109 4.340 0.521 0.000 0.260 176 Q C 0.185 175.953 176.000 -0.386 0.000 0.976 176 Q CA 0.008 55.658 55.803 -0.256 0.000 0.881 176 Q CB 1.172 29.804 28.738 -0.177 0.000 1.235 176 Q HN 0.943 nan 8.270 nan 0.000 0.419 177 S N 0.152 115.659 115.700 -0.322 0.000 2.570 177 S HA 0.961 5.743 4.470 0.521 0.000 0.286 177 S C -0.405 174.118 174.600 -0.130 0.000 1.099 177 S CA -0.403 57.569 58.200 -0.379 0.000 0.913 177 S CB 2.293 65.167 63.200 -0.544 0.000 1.085 177 S HN 0.832 nan 8.310 nan 0.000 0.480 178 G N -0.133 108.619 108.800 -0.080 0.000 2.356 178 G HA2 0.651 4.923 3.960 0.521 0.000 0.294 178 G HA3 0.651 4.923 3.960 0.521 0.000 0.294 178 G C -0.983 173.908 174.900 -0.016 0.000 1.423 178 G CA -0.370 44.701 45.100 -0.048 0.000 0.806 178 G HN 1.318 nan 8.290 nan 0.000 0.527 179 A N 0.279 123.042 122.820 -0.095 0.000 2.488 179 A HA 0.607 5.239 4.320 0.521 0.000 0.249 179 A C 0.910 178.533 177.584 0.066 0.000 1.083 179 A CA 0.011 51.991 52.037 -0.095 0.000 0.768 179 A CB 0.154 18.846 19.000 -0.513 0.000 1.017 179 A HN 0.881 nan 8.150 nan 0.000 0.496 180 R N 1.592 122.198 120.500 0.177 0.000 2.570 180 R HA 0.160 4.812 4.340 0.521 0.000 0.277 180 R C -1.263 175.194 176.300 0.261 0.000 1.039 180 R CA 0.270 56.477 56.100 0.178 0.000 1.065 180 R CB 0.348 30.762 30.300 0.189 0.000 0.964 180 R HN 0.736 nan 8.270 nan 0.000 0.428 181 D N 3.194 123.683 120.400 0.148 0.000 2.365 181 D HA 0.031 4.983 4.640 0.521 0.000 0.235 181 D C -0.624 175.655 176.300 -0.034 0.000 1.368 181 D CA -0.586 53.478 54.000 0.107 0.000 1.001 181 D CB 0.699 41.631 40.800 0.220 0.000 1.364 181 D HN 0.701 nan 8.370 nan 0.000 0.577 182 N N 2.628 121.239 118.700 -0.148 0.000 2.314 182 N HA 0.191 5.244 4.740 0.521 0.000 0.200 182 N C 1.324 176.759 175.510 -0.126 0.000 1.135 182 N CA 0.536 53.525 53.050 -0.102 0.000 0.835 182 N CB 0.455 38.886 38.487 -0.093 0.000 0.989 182 N HN 0.572 nan 8.380 nan 0.000 0.478 183 G N -0.976 107.722 108.800 -0.171 0.000 2.195 183 G HA2 -0.295 3.977 3.960 0.521 0.000 0.246 183 G HA3 -0.295 3.977 3.960 0.521 0.000 0.246 183 G C -0.211 174.572 174.900 -0.194 0.000 0.984 183 G CA 0.136 45.153 45.100 -0.139 0.000 0.633 183 G HN 0.508 nan 8.290 nan 0.000 0.525 184 Q N 0.825 120.448 119.800 -0.296 0.000 2.260 184 Q HA 0.488 5.140 4.340 0.521 0.000 0.238 184 Q C -2.296 173.457 176.000 -0.411 0.000 0.948 184 Q CA -1.898 53.732 55.803 -0.288 0.000 0.895 184 Q CB 0.970 29.547 28.738 -0.267 0.000 1.218 184 Q HN 0.180 nan 8.270 nan 0.000 0.470 185 P HA -0.105 nan 4.420 nan 0.000 0.267 185 P C -1.290 175.843 177.300 -0.278 0.000 1.200 185 P CA 0.176 63.166 63.100 -0.184 0.000 0.772 185 P CB 0.343 32.003 31.700 -0.067 0.000 0.855 186 W N 1.299 122.586 121.300 -0.023 0.000 2.304 186 W HA 0.272 5.243 4.660 0.519 0.000 0.313 186 W C 1.156 177.637 176.519 -0.062 0.000 1.323 186 W CA 0.164 57.489 57.345 -0.034 0.000 1.223 186 W CB 0.375 29.821 29.460 -0.023 0.000 1.237 186 W HN 0.248 nan 8.180 nan 0.000 0.535 187 S N 4.743 120.518 115.700 0.124 0.000 2.560 187 S HA 0.091 4.873 4.470 0.521 0.000 0.284 187 S C -0.913 173.667 174.600 -0.033 0.000 1.327 187 S CA -1.046 57.148 58.200 -0.011 0.000 1.055 187 S CB 0.783 63.943 63.200 -0.066 0.000 0.868 187 S HN 0.372 nan 8.310 nan 0.000 0.506 188 P HA 0.126 nan 4.420 nan 0.000 0.245 188 P C 1.189 178.296 177.300 -0.322 0.000 1.206 188 P CA 0.405 63.383 63.100 -0.203 0.000 0.781 188 P CB -0.048 31.534 31.700 -0.197 0.000 0.994 189 I N -1.065 119.262 120.570 -0.406 0.000 2.394 189 I HA -0.209 4.273 4.170 0.521 0.000 0.251 189 I C 2.201 178.229 176.117 -0.148 0.000 1.136 189 I CA 1.257 62.365 61.300 -0.320 0.000 1.425 189 I CB -0.624 37.213 38.000 -0.271 0.000 1.079 189 I HN -0.119 nan 8.210 nan 0.000 0.425 190 M N 0.445 119.970 119.600 -0.126 0.000 2.086 190 M HA -0.208 4.584 4.480 0.521 0.000 0.261 190 M C 2.215 178.453 176.300 -0.103 0.000 1.067 190 M CA 1.803 57.034 55.300 -0.115 0.000 1.116 190 M CB -0.519 32.005 32.600 -0.126 0.000 1.348 190 M HN -0.107 nan 8.290 nan 0.000 0.407 191 K N 0.271 120.616 120.400 -0.091 0.000 2.057 191 K HA 0.022 4.654 4.320 0.521 0.000 0.207 191 K C 1.946 178.529 176.600 -0.028 0.000 1.049 191 K CA 1.608 57.856 56.287 -0.065 0.000 0.931 191 K CB -0.623 31.848 32.500 -0.048 0.000 0.714 191 K HN 0.295 nan 8.250 nan 0.000 0.440 192 A N 0.477 123.299 122.820 0.003 0.000 1.908 192 A HA -0.162 4.470 4.320 0.521 0.000 0.218 192 A C 2.095 179.701 177.584 0.036 0.000 1.181 192 A CA 1.700 53.786 52.037 0.083 0.000 0.627 192 A CB -0.741 18.392 19.000 0.223 0.000 0.818 192 A HN 0.334 nan 8.150 nan 0.000 0.445 193 L N -0.560 120.664 121.223 0.000 0.000 2.046 193 L HA -0.129 4.523 4.340 0.521 0.000 0.208 193 L C 2.519 179.337 176.870 -0.088 0.000 1.077 193 L CA 2.163 56.992 54.840 -0.018 0.000 0.747 193 L CB -0.517 41.538 42.059 -0.007 0.000 0.896 193 L HN 0.457 nan 8.230 nan 0.000 0.432 194 M N -0.633 118.909 119.600 -0.098 0.000 2.080 194 M HA -0.218 4.574 4.480 0.521 0.000 0.260 194 M C 1.932 178.177 176.300 -0.091 0.000 1.068 194 M CA 1.734 56.962 55.300 -0.119 0.000 1.109 194 M CB -0.653 31.884 32.600 -0.106 0.000 1.342 194 M HN 0.317 nan 8.290 nan 0.000 0.405 195 N N -0.045 118.624 118.700 -0.052 0.000 2.120 195 N HA -0.105 4.948 4.740 0.521 0.000 0.188 195 N C 1.697 177.185 175.510 -0.036 0.000 1.024 195 N CA 1.786 54.817 53.050 -0.032 0.000 0.852 195 N CB -0.774 37.711 38.487 -0.003 0.000 1.003 195 N HN 0.339 nan 8.380 nan 0.000 0.424 196 T N 1.125 115.658 114.554 -0.035 0.000 2.674 196 T HA -0.104 4.559 4.350 0.521 0.000 0.265 196 T C 2.168 176.825 174.700 -0.072 0.000 1.039 196 T CA 1.807 63.884 62.100 -0.038 0.000 1.150 196 T CB -0.475 68.381 68.868 -0.021 0.000 0.864 196 T HN 0.261 nan 8.240 nan 0.000 0.427 197 V N 1.470 121.303 119.914 -0.135 0.000 2.548 197 V HA -0.078 4.354 4.120 0.521 0.000 0.249 197 V C 2.498 178.518 176.094 -0.122 0.000 1.055 197 V CA 1.747 63.935 62.300 -0.185 0.000 1.065 197 V CB -1.276 30.288 31.823 -0.432 0.000 0.681 197 V HN 0.570 nan 8.190 nan 0.000 0.462 198 S N 1.928 117.567 115.700 -0.101 0.000 2.399 198 S HA -0.004 4.778 4.470 0.521 0.000 0.231 198 S C 2.096 176.674 174.600 -0.037 0.000 1.022 198 S CA 1.306 59.469 58.200 -0.061 0.000 0.983 198 S CB -0.812 62.357 63.200 -0.052 0.000 0.803 198 S HN 1.100 nan 8.310 nan 0.000 0.480 199 A N 1.394 124.193 122.820 -0.035 0.000 2.121 199 A HA 0.277 4.909 4.320 0.521 0.000 0.218 199 A C 2.049 179.624 177.584 -0.015 0.000 1.154 199 A CA 0.863 52.887 52.037 -0.020 0.000 0.679 199 A CB -0.636 18.354 19.000 -0.017 0.000 0.795 199 A HN 0.581 nan 8.150 nan 0.000 0.458 200 L N -1.608 119.603 121.223 -0.020 0.000 2.592 200 L HA 0.246 4.899 4.340 0.521 0.000 0.227 200 L C 1.555 178.430 176.870 0.007 0.000 1.127 200 L CA 0.504 55.341 54.840 -0.005 0.000 0.884 200 L CB -0.044 42.013 42.059 -0.004 0.000 1.065 200 L HN 0.526 nan 8.230 nan 0.000 0.457 201 G N 0.317 109.118 108.800 0.001 0.000 2.132 201 G HA2 -0.229 4.043 3.960 0.521 0.000 0.234 201 G HA3 -0.229 4.043 3.960 0.521 0.000 0.234 201 G C 0.121 175.034 174.900 0.021 0.000 0.989 201 G CA -0.064 45.043 45.100 0.013 0.000 0.676 201 G HN 0.088 nan 8.290 nan 0.000 0.522 202 V N 1.847 121.762 119.914 0.002 0.000 2.546 202 V HA 0.440 4.872 4.120 0.521 0.000 0.284 202 V C -1.305 174.782 176.094 -0.011 0.000 1.050 202 V CA -1.450 60.856 62.300 0.009 0.000 0.981 202 V CB 1.381 33.169 31.823 -0.058 0.000 0.990 202 V HN 0.147 nan 8.190 nan 0.000 0.474 203 P HA 0.229 nan 4.420 nan 0.000 0.269 203 P C -0.785 176.516 177.300 0.002 0.000 1.209 203 P CA 0.146 63.264 63.100 0.031 0.000 0.776 203 P CB 0.600 32.343 31.700 0.070 0.000 0.876 204 V N -1.064 118.841 119.914 -0.016 0.000 3.007 204 V HA 0.440 4.872 4.120 0.521 0.000 0.311 204 V C 0.022 176.083 176.094 -0.055 0.000 1.120 204 V CA -0.964 61.305 62.300 -0.053 0.000 0.980 204 V CB 1.540 33.312 31.823 -0.085 0.000 1.033 204 V HN 0.575 nan 8.190 nan 0.000 0.429 205 Q N -0.299 119.435 119.800 -0.110 0.000 2.480 205 Q HA -0.170 4.483 4.340 0.521 0.000 0.265 205 Q C -0.237 175.701 176.000 -0.104 0.000 1.072 205 Q CA 0.841 56.563 55.803 -0.136 0.000 1.018 205 Q CB -0.853 27.831 28.738 -0.089 0.000 1.433 205 Q HN 0.891 nan 8.270 nan 0.000 0.513 206 Q N 1.136 120.887 119.800 -0.082 0.000 2.314 206 Q HA 0.115 4.767 4.340 0.521 0.000 0.258 206 Q C 0.053 175.995 176.000 -0.097 0.000 0.954 206 Q CA 0.167 55.973 55.803 0.004 0.000 0.890 206 Q CB 0.705 29.537 28.738 0.156 0.000 1.210 206 Q HN 0.095 nan 8.270 nan 0.000 0.410 207 D N 2.088 122.493 120.400 0.009 0.000 2.339 207 D HA 0.010 4.962 4.640 0.521 0.000 0.256 207 D C 0.030 176.447 176.300 0.195 0.000 1.214 207 D CA -0.285 53.734 54.000 0.031 0.000 0.877 207 D CB 0.339 41.190 40.800 0.085 0.000 1.111 207 D HN 0.254 nan 8.370 nan 0.000 0.478 208 F N 2.924 122.950 119.950 0.127 0.000 2.771 208 F HA 0.027 4.867 4.527 0.522 0.000 0.299 208 F C 1.753 177.603 175.800 0.084 0.000 1.177 208 F CA 0.090 58.153 58.000 0.106 0.000 1.450 208 F CB -0.317 38.818 39.000 0.225 0.000 1.114 208 F HN 0.423 nan 8.300 nan 0.000 0.587 209 L N -1.887 119.480 121.223 0.241 0.000 2.607 209 L HA 0.013 4.666 4.340 0.521 0.000 0.228 209 L C 1.265 178.312 176.870 0.295 0.000 1.123 209 L CA 0.237 55.174 54.840 0.161 0.000 0.890 209 L CB -0.321 41.657 42.059 -0.134 0.000 1.103 209 L HN 0.108 nan 8.230 nan 0.000 0.468 210 c N 0.007 118.741 118.600 0.224 0.000 2.697 210 c HA 0.387 5.269 4.570 0.521 0.000 0.267 210 c C 1.790 175.887 174.090 0.011 0.000 1.278 210 c CA 0.472 56.918 56.329 0.195 0.000 1.708 210 c CB -0.641 41.937 42.510 0.113 0.000 1.860 210 c HN 0.803 nan 8.230 nan 0.000 0.589 211 G N 0.112 108.818 108.800 -0.156 0.000 2.231 211 G HA2 -0.188 4.085 3.960 0.521 0.000 0.206 211 G HA3 -0.188 4.085 3.960 0.521 0.000 0.206 211 G C -0.030 174.514 174.900 -0.594 0.000 0.996 211 G CA 0.246 44.804 45.100 -0.904 0.000 0.645 211 G HN 0.569 nan 8.290 nan 0.000 0.498 212 H N 0.951 119.785 119.070 -0.393 0.000 2.600 212 H HA 0.466 5.335 4.556 0.521 0.000 0.224 212 H C -2.712 172.494 175.328 -0.203 0.000 1.413 212 H CA -1.276 54.578 56.048 -0.324 0.000 1.401 212 H CB 1.410 31.022 29.762 -0.251 0.000 1.772 212 H HN 0.171 nan 8.280 nan 0.000 0.528 213 P HA 0.198 nan 4.420 nan 0.000 0.264 213 P C -0.449 176.474 177.300 -0.628 0.000 1.236 213 P CA 0.033 62.755 63.100 -0.631 0.000 0.811 213 P CB 0.433 31.434 31.700 -1.165 0.000 0.840 214 R N 2.187 122.577 120.500 -0.183 0.000 2.668 214 R HA 0.650 5.303 4.340 0.521 0.000 0.272 214 R C 0.447 176.936 176.300 0.314 0.000 1.019 214 R CA 0.060 56.141 56.100 -0.032 0.000 0.894 214 R CB 2.143 32.309 30.300 -0.224 0.000 1.228 214 R HN 0.722 nan 8.270 nan 0.000 0.460 215 G N 0.377 109.401 108.800 0.372 0.000 2.642 215 G HA2 -0.253 4.019 3.960 0.521 0.000 0.231 215 G HA3 -0.253 4.019 3.960 0.521 0.000 0.231 215 G C -1.195 173.942 174.900 0.395 0.000 1.338 215 G CA -0.397 44.895 45.100 0.321 0.000 0.883 215 G HN 0.396 nan 8.290 nan 0.000 0.570 216 V N 1.088 121.032 119.914 0.050 0.000 2.370 216 V HA 0.714 5.146 4.120 0.521 0.000 0.283 216 V C 0.398 176.459 176.094 -0.054 0.000 1.023 216 V CA 0.326 62.626 62.300 -0.001 0.000 0.857 216 V CB 1.115 32.793 31.823 -0.242 0.000 0.985 216 V HN 1.063 nan 8.190 nan 0.000 0.443 217 S N 4.623 120.258 115.700 -0.107 0.000 2.618 217 S HA 0.686 5.469 4.470 0.521 0.000 0.277 217 S C -0.593 173.801 174.600 -0.345 0.000 1.138 217 S CA -0.798 57.153 58.200 -0.415 0.000 0.844 217 S CB 2.022 64.587 63.200 -1.059 0.000 1.127 217 S HN 0.598 nan 8.310 nan 0.000 0.474 218 M N 2.233 121.588 119.600 -0.409 0.000 2.359 218 M HA 0.576 5.369 4.480 0.521 0.000 0.322 218 M C -0.331 175.804 176.300 -0.275 0.000 1.166 218 M CA -0.451 54.575 55.300 -0.456 0.000 1.067 218 M CB 0.751 32.788 32.600 -0.938 0.000 1.523 218 M HN 0.680 nan 8.290 nan 0.000 0.467 219 I N -1.716 118.831 120.570 -0.040 0.000 3.108 219 I HA 0.571 5.054 4.170 0.521 0.000 0.312 219 I C -0.761 175.589 176.117 0.388 0.000 1.095 219 I CA -1.300 60.130 61.300 0.217 0.000 1.000 219 I CB 1.664 39.836 38.000 0.287 0.000 1.229 219 I HN 0.460 nan 8.210 nan 0.000 0.454 220 M N 2.108 121.964 119.600 0.427 0.000 2.227 220 M HA 0.382 5.175 4.480 0.521 0.000 0.316 220 M C -0.428 176.091 176.300 0.365 0.000 1.144 220 M CA 0.149 55.689 55.300 0.400 0.000 1.121 220 M CB 0.438 33.347 32.600 0.514 0.000 1.440 220 M HN 0.698 nan 8.290 nan 0.000 0.473 221 N N 0.909 119.740 118.700 0.219 0.000 2.405 221 N HA 0.309 5.361 4.740 0.521 0.000 0.285 221 N C -0.934 174.543 175.510 -0.056 0.000 1.262 221 N CA -0.725 52.428 53.050 0.171 0.000 0.773 221 N CB 1.597 40.165 38.487 0.135 0.000 1.490 221 N HN 0.549 nan 8.380 nan 0.000 0.486 222 N N 2.254 120.901 118.700 -0.087 0.000 3.034 222 N HA 0.200 5.252 4.740 0.521 0.000 0.265 222 N C -1.233 174.181 175.510 -0.161 0.000 1.166 222 N CA 0.011 52.843 53.050 -0.363 0.000 1.081 222 N CB 0.008 38.310 38.487 -0.308 0.000 1.378 222 N HN 0.378 nan 8.380 nan 0.000 0.520 223 L N 0.704 121.839 121.223 -0.148 0.000 2.381 223 L HA 0.375 5.028 4.340 0.521 0.000 0.268 223 L C 0.060 176.877 176.870 -0.088 0.000 0.997 223 L CA -1.191 53.607 54.840 -0.070 0.000 0.818 223 L CB 1.839 43.887 42.059 -0.018 0.000 1.310 223 L HN 0.293 nan 8.230 nan 0.000 0.416 224 D N 0.261 120.626 120.400 -0.060 0.000 2.425 224 D HA 0.035 4.987 4.640 0.521 0.000 0.274 224 D C 0.609 176.882 176.300 -0.044 0.000 1.242 224 D CA -0.300 53.662 54.000 -0.064 0.000 1.060 224 D CB 0.539 41.309 40.800 -0.050 0.000 1.112 224 D HN 0.492 nan 8.370 nan 0.000 0.561 225 E N -1.152 119.022 120.200 -0.044 0.000 2.347 225 E HA -0.093 4.570 4.350 0.521 0.000 0.196 225 E C 0.697 177.285 176.600 -0.020 0.000 1.008 225 E CA 0.583 56.960 56.400 -0.038 0.000 0.852 225 E CB -0.419 29.255 29.700 -0.044 0.000 0.783 225 E HN 0.454 nan 8.360 nan 0.000 0.505 226 N N 0.830 119.524 118.700 -0.009 0.000 2.322 226 N HA -0.013 5.040 4.740 0.521 0.000 0.194 226 N C -0.392 175.146 175.510 0.047 0.000 1.126 226 N CA -0.090 52.963 53.050 0.005 0.000 0.845 226 N CB 0.478 38.964 38.487 -0.002 0.000 0.976 226 N HN -0.063 nan 8.380 nan 0.000 0.475 227 Q N -0.569 119.256 119.800 0.042 0.000 2.494 227 Q HA -0.149 4.503 4.340 0.521 0.000 0.272 227 Q C -0.920 175.140 176.000 0.100 0.000 1.145 227 Q CA 0.519 56.361 55.803 0.064 0.000 0.943 227 Q CB -1.985 26.803 28.738 0.082 0.000 1.338 227 Q HN 0.205 nan 8.270 nan 0.000 0.492 228 V N 1.004 120.968 119.914 0.084 0.000 2.439 228 V HA 0.270 4.703 4.120 0.521 0.000 0.282 228 V C 1.074 177.189 176.094 0.035 0.000 1.039 228 V CA -0.520 61.837 62.300 0.095 0.000 0.913 228 V CB 1.667 33.555 31.823 0.108 0.000 0.983 228 V HN 0.267 nan 8.190 nan 0.000 0.460 229 R N 3.672 124.186 120.500 0.024 0.000 2.480 229 R HA 0.088 4.741 4.340 0.521 0.000 0.303 229 R C -0.755 175.557 176.300 0.020 0.000 0.985 229 R CA -0.104 56.008 56.100 0.020 0.000 1.051 229 R CB 0.384 30.695 30.300 0.018 0.000 0.935 229 R HN 0.531 nan 8.270 nan 0.000 0.410 230 V N 6.555 126.472 119.914 0.006 0.000 2.222 230 V HA 0.017 4.449 4.120 0.521 0.000 0.253 230 V C 0.009 176.150 176.094 0.078 0.000 1.210 230 V CA -0.435 61.864 62.300 -0.002 0.000 1.079 230 V CB -0.216 31.555 31.823 -0.087 0.000 1.265 230 V HN 0.881 nan 8.190 nan 0.000 0.494 231 D N 3.054 123.511 120.400 0.095 0.000 2.369 231 D HA 0.317 5.269 4.640 0.521 0.000 0.241 231 D C 1.408 177.852 176.300 0.240 0.000 1.271 231 D CA 0.150 54.247 54.000 0.162 0.000 0.942 231 D CB 1.091 41.946 40.800 0.091 0.000 1.129 231 D HN 0.281 nan 8.370 nan 0.000 0.476 232 A N 0.224 123.252 122.820 0.347 0.000 2.015 232 A HA 0.059 4.691 4.320 0.521 0.000 0.219 232 A C 2.166 179.998 177.584 0.413 0.000 1.163 232 A CA 1.658 54.011 52.037 0.526 0.000 0.646 232 A CB -1.247 18.074 19.000 0.535 0.000 0.806 232 A HN 0.663 nan 8.150 nan 0.000 0.448 233 A N -0.117 122.855 122.820 0.253 0.000 1.873 233 A HA -0.116 4.516 4.320 0.521 0.000 0.215 233 A C 2.222 179.952 177.584 0.243 0.000 1.186 233 A CA 1.596 53.780 52.037 0.246 0.000 0.616 233 A CB -0.465 18.631 19.000 0.159 0.000 0.823 233 A HN 0.534 nan 8.150 nan 0.000 0.442 234 R N -0.403 120.194 120.500 0.161 0.000 2.081 234 R HA -0.105 4.548 4.340 0.521 0.000 0.235 234 R C 2.279 178.605 176.300 0.042 0.000 1.131 234 R CA 1.527 57.697 56.100 0.117 0.000 0.960 234 R CB -0.376 29.963 30.300 0.064 0.000 0.856 234 R HN 0.444 nan 8.270 nan 0.000 0.436 235 A N -0.440 122.370 122.820 -0.016 0.000 1.873 235 A HA -0.139 4.494 4.320 0.521 0.000 0.215 235 A C 1.510 178.853 177.584 -0.401 0.000 1.186 235 A CA 1.225 53.081 52.037 -0.302 0.000 0.616 235 A CB -0.637 18.085 19.000 -0.463 0.000 0.823 235 A HN 0.593 nan 8.150 nan 0.000 0.442 236 W N -2.361 119.002 121.300 0.105 0.000 2.915 236 W HA 0.353 5.324 4.660 0.519 0.000 0.276 236 W C 1.639 178.230 176.519 0.119 0.000 1.215 236 W CA -0.010 57.398 57.345 0.105 0.000 1.514 236 W CB 0.318 29.857 29.460 0.132 0.000 1.017 236 W HN 0.308 nan 8.180 nan 0.000 0.598 237 L N -0.391 121.037 121.223 0.340 0.000 2.362 237 L HA 0.209 4.862 4.340 0.521 0.000 0.204 237 L C 2.077 179.123 176.870 0.294 0.000 1.060 237 L CA 0.979 55.994 54.840 0.293 0.000 0.827 237 L CB -1.144 41.078 42.059 0.273 0.000 1.027 237 L HN -0.054 nan 8.230 nan 0.000 0.474 238 L N 1.145 122.522 121.223 0.257 0.000 2.013 238 L HA -0.100 4.552 4.340 0.521 0.000 0.212 238 L C -0.674 176.376 176.870 0.300 0.000 1.073 238 L CA 2.349 57.343 54.840 0.256 0.000 0.753 238 L CB -1.804 40.372 42.059 0.194 0.000 0.890 238 L HN 0.197 nan 8.230 nan 0.000 0.432 239 P HA -0.031 nan 4.420 nan 0.000 0.223 239 P C 0.451 177.792 177.300 0.068 0.000 1.151 239 P CA 1.209 64.362 63.100 0.088 0.000 0.787 239 P CB 0.024 31.738 31.700 0.023 0.000 0.788 240 N N -1.968 116.809 118.700 0.128 0.000 2.159 240 N HA 0.034 5.086 4.740 0.521 0.000 0.217 240 N C 1.139 176.699 175.510 0.083 0.000 1.223 240 N CA -0.053 53.048 53.050 0.085 0.000 0.896 240 N CB -0.196 38.375 38.487 0.139 0.000 1.064 240 N HN 0.307 nan 8.380 nan 0.000 0.518 241 Y N 0.973 121.291 120.300 0.031 0.000 2.497 241 Y HA 0.069 4.932 4.550 0.522 0.000 0.292 241 Y C 1.613 177.517 175.900 0.006 0.000 1.137 241 Y CA 0.901 59.010 58.100 0.015 0.000 1.285 241 Y CB -0.364 38.086 38.460 -0.015 0.000 0.991 241 Y HN -0.065 nan 8.280 nan 0.000 0.556 242 Q N 0.894 120.413 119.800 -0.468 0.000 2.451 242 Q HA 0.099 4.751 4.340 0.521 0.000 0.206 242 Q C 0.142 176.066 176.000 -0.128 0.000 0.947 242 Q CA -0.056 55.545 55.803 -0.336 0.000 0.937 242 Q CB 0.098 28.589 28.738 -0.412 0.000 1.025 242 Q HN 0.449 nan 8.270 nan 0.000 0.511 243 R N 1.026 121.485 120.500 -0.068 0.000 2.538 243 R HA -0.030 4.623 4.340 0.521 0.000 0.282 243 R C 1.351 177.654 176.300 0.006 0.000 1.009 243 R CA 0.360 56.449 56.100 -0.018 0.000 1.063 243 R CB 0.411 30.718 30.300 0.012 0.000 0.945 243 R HN 0.203 nan 8.270 nan 0.000 0.414 244 S N 1.845 117.549 115.700 0.008 0.000 2.474 244 S HA -0.132 4.651 4.470 0.521 0.000 0.235 244 S C 1.164 175.793 174.600 0.050 0.000 0.997 244 S CA 0.956 59.171 58.200 0.025 0.000 0.949 244 S CB -0.091 63.118 63.200 0.016 0.000 0.766 244 S HN 0.771 nan 8.310 nan 0.000 0.517 245 N N 0.803 119.534 118.700 0.053 0.000 2.270 245 N HA 0.135 5.188 4.740 0.521 0.000 0.198 245 N C -0.160 175.409 175.510 0.098 0.000 1.117 245 N CA -0.230 52.867 53.050 0.078 0.000 0.845 245 N CB -0.150 38.373 38.487 0.059 0.000 0.980 245 N HN 0.444 nan 8.380 nan 0.000 0.486 246 L N 1.045 122.317 121.223 0.081 0.000 2.294 246 L HA 0.467 5.120 4.340 0.521 0.000 0.283 246 L C -0.923 175.994 176.870 0.078 0.000 1.015 246 L CA -0.459 54.426 54.840 0.075 0.000 0.831 246 L CB 1.134 43.234 42.059 0.068 0.000 1.217 246 L HN -0.015 nan 8.230 nan 0.000 0.420 247 E N 5.701 125.937 120.200 0.060 0.000 2.187 247 E HA 0.498 5.160 4.350 0.521 0.000 0.268 247 E C -1.106 175.465 176.600 -0.049 0.000 0.896 247 E CA -0.689 55.733 56.400 0.036 0.000 0.766 247 E CB 2.079 31.843 29.700 0.106 0.000 1.142 247 E HN 0.415 nan 8.360 nan 0.000 0.408 248 I N 4.130 124.687 120.570 -0.022 0.000 2.382 248 I HA 0.232 4.714 4.170 0.521 0.000 0.286 248 I C -0.659 175.416 176.117 -0.070 0.000 1.002 248 I CA -0.805 60.467 61.300 -0.048 0.000 1.135 248 I CB 0.966 38.970 38.000 0.006 0.000 1.288 248 I HN 0.403 nan 8.210 nan 0.000 0.448 249 L N 8.159 129.298 121.223 -0.141 0.000 2.265 249 L HA 0.554 5.206 4.340 0.521 0.000 0.289 249 L C 0.445 177.226 176.870 -0.149 0.000 1.033 249 L CA 0.223 54.974 54.840 -0.149 0.000 0.814 249 L CB 1.244 43.146 42.059 -0.262 0.000 1.203 249 L HN 0.756 nan 8.230 nan 0.000 0.423 250 T N 0.833 115.313 114.554 -0.122 0.000 2.944 250 T HA 0.659 5.321 4.350 0.521 0.000 0.284 250 T C 0.846 175.314 174.700 -0.387 0.000 1.010 250 T CA -0.235 61.698 62.100 -0.278 0.000 1.025 250 T CB 1.492 70.242 68.868 -0.197 0.000 1.079 250 T HN 1.357 nan 8.240 nan 0.000 0.516 251 G N 0.831 109.138 108.800 -0.821 0.000 2.153 251 G HA2 -0.161 4.111 3.960 0.521 0.000 0.252 251 G HA3 -0.161 4.111 3.960 0.521 0.000 0.252 251 G C -0.124 174.710 174.900 -0.109 0.000 0.994 251 G CA 0.082 44.824 45.100 -0.597 0.000 0.698 251 G HN 0.848 nan 8.290 nan 0.000 0.521 252 Q N -1.048 118.712 119.800 -0.067 0.000 2.423 252 Q HA 0.758 5.411 4.340 0.521 0.000 0.278 252 Q C -0.155 175.940 176.000 0.159 0.000 1.097 252 Q CA -0.513 55.368 55.803 0.131 0.000 0.809 252 Q CB 1.804 30.681 28.738 0.232 0.000 1.391 252 Q HN 0.394 nan 8.270 nan 0.000 0.428 253 M N 0.835 120.630 119.600 0.324 0.000 2.456 253 M HA 0.411 5.203 4.480 0.521 0.000 0.324 253 M C -0.467 176.131 176.300 0.498 0.000 1.124 253 M CA -0.874 54.648 55.300 0.370 0.000 0.959 253 M CB 2.287 35.207 32.600 0.534 0.000 1.692 253 M HN 0.203 nan 8.290 nan 0.000 0.444 254 V N 2.594 122.721 119.914 0.356 0.000 2.555 254 V HA 0.258 4.690 4.120 0.521 0.000 0.286 254 V C 0.891 177.190 176.094 0.343 0.000 1.044 254 V CA 0.524 63.025 62.300 0.335 0.000 1.026 254 V CB 1.000 32.933 31.823 0.184 0.000 0.981 254 V HN 1.137 nan 8.190 nan 0.000 0.480 255 G N 4.798 113.699 108.800 0.167 0.000 2.651 255 G HA2 0.195 4.467 3.960 0.521 0.000 0.207 255 G HA3 0.195 4.467 3.960 0.521 0.000 0.207 255 G C 0.345 175.131 174.900 -0.190 0.000 1.131 255 G CA 0.201 45.096 45.100 -0.341 0.000 0.816 255 G HN 0.677 nan 8.290 nan 0.000 0.534 256 K N -0.848 119.530 120.400 -0.037 0.000 2.579 256 K HA 0.609 5.241 4.320 0.521 0.000 0.284 256 K C -1.831 174.766 176.600 -0.005 0.000 0.990 256 K CA -0.809 55.482 56.287 0.007 0.000 0.880 256 K CB 1.929 34.422 32.500 -0.013 0.000 1.488 256 K HN -0.145 nan 8.250 nan 0.000 0.425 257 V N 2.277 122.168 119.914 -0.039 0.000 2.567 257 V HA 0.335 4.767 4.120 0.521 0.000 0.289 257 V C -0.054 175.813 176.094 -0.378 0.000 1.049 257 V CA -0.854 61.290 62.300 -0.259 0.000 0.969 257 V CB 1.083 32.658 31.823 -0.413 0.000 0.995 257 V HN 0.535 nan 8.190 nan 0.000 0.471 258 L N 4.644 125.639 121.223 -0.380 0.000 2.307 258 L HA 0.609 5.262 4.340 0.521 0.000 0.282 258 L C -0.847 175.789 176.870 -0.390 0.000 1.051 258 L CA -0.065 54.654 54.840 -0.202 0.000 0.804 258 L CB 1.079 43.139 42.059 0.002 0.000 1.197 258 L HN 0.467 nan 8.230 nan 0.000 0.431 259 F N 1.331 121.331 119.950 0.084 0.000 2.593 259 F HA 0.545 5.383 4.527 0.519 0.000 0.320 259 F C -0.127 175.707 175.800 0.058 0.000 1.060 259 F CA -0.877 57.163 58.000 0.067 0.000 0.940 259 F CB 1.987 41.014 39.000 0.046 0.000 1.268 259 F HN 0.320 nan 8.300 nan 0.000 0.475 260 K N 1.009 121.569 120.400 0.266 0.000 2.318 260 K HA 0.545 5.178 4.320 0.521 0.000 0.249 260 K C -1.221 175.456 176.600 0.129 0.000 0.942 260 K CA -1.101 55.276 56.287 0.149 0.000 0.808 260 K CB 1.930 34.483 32.500 0.087 0.000 1.189 260 K HN 0.351 nan 8.250 nan 0.000 0.428 261 Q N 1.997 121.843 119.800 0.077 0.000 2.286 261 Q HA 0.199 4.852 4.340 0.521 0.000 0.257 261 Q C -0.289 175.731 176.000 0.033 0.000 0.941 261 Q CA 0.014 55.842 55.803 0.042 0.000 0.912 261 Q CB 1.771 30.521 28.738 0.021 0.000 1.192 261 Q HN 0.924 nan 8.270 nan 0.000 0.410 262 T N -2.485 112.085 114.554 0.027 0.000 2.907 262 T HA 0.654 5.317 4.350 0.521 0.000 0.290 262 T C 0.874 175.581 174.700 0.012 0.000 1.066 262 T CA -0.231 61.882 62.100 0.022 0.000 1.012 262 T CB 1.391 70.276 68.868 0.029 0.000 1.184 262 T HN 0.396 nan 8.240 nan 0.000 0.522 263 A N 1.108 123.935 122.820 0.011 0.000 1.933 263 A HA 0.072 4.705 4.320 0.521 0.000 0.218 263 A C 2.004 179.592 177.584 0.008 0.000 1.175 263 A CA 1.650 53.691 52.037 0.007 0.000 0.628 263 A CB -1.146 17.858 19.000 0.007 0.000 0.814 263 A HN 1.316 nan 8.150 nan 0.000 0.444 264 S N -0.797 114.912 115.700 0.014 0.000 2.667 264 S HA 0.492 5.275 4.470 0.521 0.000 0.251 264 S C 0.784 175.394 174.600 0.016 0.000 1.075 264 S CA 0.273 58.484 58.200 0.018 0.000 1.130 264 S CB -1.016 62.200 63.200 0.027 0.000 0.795 264 S HN 1.945 nan 8.310 nan 0.000 0.462 265 G N 1.789 110.590 108.800 0.003 0.000 2.685 265 G HA2 -0.072 4.201 3.960 0.521 0.000 0.387 265 G HA3 -0.072 4.201 3.960 0.521 0.000 0.387 265 G C -3.399 171.494 174.900 -0.013 0.000 1.324 265 G CA -0.973 44.117 45.100 -0.017 0.000 0.878 265 G HN 0.341 nan 8.290 nan 0.000 0.527 266 P HA 0.276 nan 4.420 nan 0.000 0.268 266 P C -0.521 176.858 177.300 0.132 0.000 1.204 266 P CA 0.243 63.305 63.100 -0.065 0.000 0.768 266 P CB 1.068 32.474 31.700 -0.489 0.000 0.842 267 Q N 2.245 122.202 119.800 0.262 0.000 2.333 267 Q HA 0.585 5.237 4.340 0.521 0.000 0.268 267 Q C -0.918 175.293 176.000 0.353 0.000 1.007 267 Q CA -0.972 54.986 55.803 0.260 0.000 0.810 267 Q CB 1.279 30.098 28.738 0.135 0.000 1.264 267 Q HN 0.509 nan 8.270 nan 0.000 0.452 268 A N 3.063 126.050 122.820 0.277 0.000 2.450 268 A HA 0.323 4.955 4.320 0.521 0.000 0.255 268 A C 0.645 178.221 177.584 -0.013 0.000 1.096 268 A CA -0.026 51.971 52.037 -0.066 0.000 0.778 268 A CB 0.270 19.190 19.000 -0.133 0.000 1.031 268 A HN 0.874 nan 8.150 nan 0.000 0.494 269 V N 0.306 120.204 119.914 -0.026 0.000 3.477 269 V HA 0.659 5.091 4.120 0.521 0.000 0.297 269 V C 0.678 176.890 176.094 0.196 0.000 1.433 269 V CA 0.657 63.013 62.300 0.093 0.000 1.052 269 V CB -0.733 31.165 31.823 0.126 0.000 0.895 269 V HN 1.820 nan 8.190 nan 0.000 0.438 270 G N 0.052 108.881 108.800 0.049 0.000 2.323 270 G HA2 0.519 4.792 3.960 0.521 0.000 0.291 270 G HA3 0.519 4.792 3.960 0.521 0.000 0.291 270 G C -1.357 173.489 174.900 -0.090 0.000 1.278 270 G CA 0.239 45.348 45.100 0.014 0.000 0.860 270 G HN 1.279 nan 8.290 nan 0.000 0.504 271 V N -2.169 117.689 119.914 -0.094 0.000 3.078 271 V HA 0.825 5.258 4.120 0.521 0.000 0.311 271 V C -0.560 175.554 176.094 0.032 0.000 1.138 271 V CA -1.108 61.177 62.300 -0.025 0.000 1.007 271 V CB 1.969 33.814 31.823 0.037 0.000 1.045 271 V HN 1.017 nan 8.190 nan 0.000 0.432 272 N N 1.437 120.181 118.700 0.073 0.000 2.421 272 N HA 0.613 5.665 4.740 0.521 0.000 0.285 272 N C -1.332 174.341 175.510 0.271 0.000 1.027 272 N CA -0.275 52.829 53.050 0.090 0.000 0.918 272 N CB 1.829 40.343 38.487 0.046 0.000 1.152 272 N HN 0.792 nan 8.380 nan 0.000 0.485 273 F N 0.946 120.994 119.950 0.163 0.000 2.650 273 F HA 0.911 5.749 4.527 0.519 0.000 0.320 273 F C 0.142 176.043 175.800 0.169 0.000 1.091 273 F CA -0.485 57.661 58.000 0.243 0.000 0.962 273 F CB 1.362 40.454 39.000 0.152 0.000 1.363 273 F HN 0.613 nan 8.300 nan 0.000 0.482 274 G N 0.285 109.209 108.800 0.208 0.000 2.398 274 G HA2 0.379 4.652 3.960 0.521 0.000 0.251 274 G HA3 0.379 4.652 3.960 0.521 0.000 0.251 274 G C -0.409 174.402 174.900 -0.148 0.000 1.277 274 G CA -0.091 44.927 45.100 -0.136 0.000 0.927 274 G HN 1.395 nan 8.290 nan 0.000 0.477 275 T N -2.315 112.033 114.554 -0.343 0.000 3.016 275 T HA 0.408 5.071 4.350 0.521 0.000 0.271 275 T C 0.370 174.967 174.700 -0.171 0.000 0.968 275 T CA 0.745 62.789 62.100 -0.095 0.000 0.891 275 T CB 0.327 69.210 68.868 0.025 0.000 1.149 275 T HN 0.856 nan 8.240 nan 0.000 0.524 276 N N 0.789 119.175 118.700 -0.523 0.000 2.823 276 N HA 0.141 5.193 4.740 0.521 0.000 0.251 276 N C 0.294 175.583 175.510 -0.369 0.000 1.392 276 N CA -0.396 52.496 53.050 -0.263 0.000 0.864 276 N CB 2.098 40.501 38.487 -0.140 0.000 1.481 276 N HN 0.126 nan 8.380 nan 0.000 0.508 277 K N 0.157 120.512 120.400 -0.075 0.000 2.211 277 K HA -0.046 4.586 4.320 0.521 0.000 0.204 277 K C 1.040 177.553 176.600 -0.145 0.000 1.047 277 K CA 1.854 58.122 56.287 -0.032 0.000 0.935 277 K CB -0.011 32.482 32.500 -0.011 0.000 0.728 277 K HN 0.346 nan 8.250 nan 0.000 0.452 278 A N 0.975 123.689 122.820 -0.177 0.000 2.470 278 A HA 0.287 4.919 4.320 0.521 0.000 0.251 278 A C 0.026 177.445 177.584 -0.274 0.000 1.245 278 A CA -0.412 51.512 52.037 -0.188 0.000 0.932 278 A CB 0.853 19.780 19.000 -0.120 0.000 1.037 278 A HN 0.080 nan 8.150 nan 0.000 0.522 279 V N 2.496 122.185 119.914 -0.376 0.000 2.383 279 V HA 0.342 4.775 4.120 0.521 0.000 0.264 279 V C -1.047 174.596 176.094 -0.751 0.000 1.001 279 V CA -0.369 61.651 62.300 -0.466 0.000 0.828 279 V CB -0.002 31.674 31.823 -0.245 0.000 1.069 279 V HN 0.744 nan 8.190 nan 0.000 0.451 280 N N 1.752 119.812 118.700 -1.066 0.000 2.710 280 N HA 0.777 5.829 4.740 0.521 0.000 0.257 280 N C -1.451 173.227 175.510 -1.387 0.000 1.327 280 N CA -0.703 51.677 53.050 -1.115 0.000 0.861 280 N CB 1.842 39.885 38.487 -0.739 0.000 1.532 280 N HN 0.078 nan 8.380 nan 0.000 0.499 281 F N -0.807 118.722 119.950 -0.701 0.000 2.599 281 F HA 0.493 5.331 4.527 0.520 0.000 0.311 281 F C -0.669 174.832 175.800 -0.499 0.000 1.076 281 F CA -0.790 56.842 58.000 -0.613 0.000 0.937 281 F CB 1.935 40.456 39.000 -0.799 0.000 1.282 281 F HN 0.282 nan 8.300 nan 0.000 0.460 282 D N 1.088 121.444 120.400 -0.074 0.000 2.193 282 D HA 0.573 5.525 4.640 0.521 0.000 0.249 282 D C -1.091 175.055 176.300 -0.255 0.000 1.034 282 D CA -0.148 53.743 54.000 -0.183 0.000 0.902 282 D CB 2.350 43.042 40.800 -0.180 0.000 1.182 282 D HN 0.360 nan 8.370 nan 0.000 0.436 283 V N 2.284 121.930 119.914 -0.446 0.000 2.932 283 V HA 0.564 4.996 4.120 0.521 0.000 0.307 283 V C -1.696 174.018 176.094 -0.634 0.000 1.147 283 V CA -0.624 61.461 62.300 -0.359 0.000 0.951 283 V CB 1.491 33.386 31.823 0.120 0.000 1.031 283 V HN 0.352 nan 8.190 nan 0.000 0.426 284 F N 3.937 124.001 119.950 0.190 0.000 2.507 284 F HA 0.902 5.743 4.527 0.522 0.000 0.327 284 F C 0.520 176.398 175.800 0.130 0.000 1.068 284 F CA -0.346 57.725 58.000 0.118 0.000 0.965 284 F CB 2.113 41.156 39.000 0.073 0.000 1.192 284 F HN 0.684 nan 8.300 nan 0.000 0.476 285 A N 2.151 125.121 122.820 0.250 0.000 2.330 285 A HA 0.507 5.140 4.320 0.521 0.000 0.313 285 A C 0.472 178.091 177.584 0.058 0.000 1.124 285 A CA -0.687 51.432 52.037 0.137 0.000 0.774 285 A CB 1.188 20.230 19.000 0.070 0.000 1.198 285 A HN 0.898 nan 8.150 nan 0.000 0.465 286 K N 0.469 120.873 120.400 0.006 0.000 2.103 286 K HA -0.046 4.586 4.320 0.521 0.000 0.204 286 K C 1.006 177.405 176.600 -0.334 0.000 1.052 286 K CA 1.353 57.563 56.287 -0.129 0.000 0.945 286 K CB -0.032 32.407 32.500 -0.102 0.000 0.722 286 K HN 0.841 nan 8.250 nan 0.000 0.443 287 H N -0.009 118.931 119.070 -0.218 0.000 2.320 287 H HA 0.221 5.090 4.556 0.520 0.000 0.321 287 H C 0.196 175.415 175.328 -0.182 0.000 1.141 287 H CA 0.561 56.444 56.048 -0.275 0.000 1.670 287 H CB 0.716 30.102 29.762 -0.627 0.000 1.515 287 H HN 0.042 nan 8.280 nan 0.000 0.638 288 E N 0.526 120.647 120.200 -0.131 0.000 2.408 288 E HA 0.428 5.090 4.350 0.521 0.000 0.275 288 E C -1.315 175.364 176.600 0.132 0.000 0.935 288 E CA -0.624 55.835 56.400 0.100 0.000 0.775 288 E CB 3.583 33.473 29.700 0.316 0.000 1.277 288 E HN -0.107 nan 8.360 nan 0.000 0.455 289 V N 2.442 122.417 119.914 0.102 0.000 2.398 289 V HA 0.380 4.813 4.120 0.521 0.000 0.286 289 V C -0.574 175.567 176.094 0.078 0.000 1.026 289 V CA -0.595 61.745 62.300 0.067 0.000 0.868 289 V CB 0.958 32.775 31.823 -0.010 0.000 0.982 289 V HN 0.417 nan 8.190 nan 0.000 0.443 290 L N 6.093 127.356 121.223 0.066 0.000 2.319 290 L HA 0.558 5.210 4.340 0.521 0.000 0.281 290 L C -0.615 176.252 176.870 -0.006 0.000 1.005 290 L CA -0.455 54.404 54.840 0.031 0.000 0.828 290 L CB 1.594 43.666 42.059 0.022 0.000 1.227 290 L HN 0.393 nan 8.230 nan 0.000 0.415 291 L N 3.658 124.870 121.223 -0.017 0.000 2.281 291 L HA 0.528 5.181 4.340 0.521 0.000 0.285 291 L C 0.642 177.476 176.870 -0.060 0.000 1.074 291 L CA -0.063 54.760 54.840 -0.027 0.000 0.817 291 L CB 1.383 43.431 42.059 -0.018 0.000 1.168 291 L HN 0.808 nan 8.230 nan 0.000 0.434 292 A N 2.565 125.348 122.820 -0.061 0.000 2.573 292 A HA 0.516 5.149 4.320 0.521 0.000 0.269 292 A C 0.970 178.508 177.584 -0.077 0.000 0.901 292 A CA 0.166 52.153 52.037 -0.085 0.000 1.066 292 A CB 0.419 19.369 19.000 -0.083 0.000 1.221 292 A HN 0.737 nan 8.150 nan 0.000 0.483 293 A N -0.185 122.593 122.820 -0.070 0.000 2.251 293 A HA 0.528 5.160 4.320 0.521 0.000 0.209 293 A C 1.294 178.825 177.584 -0.089 0.000 1.187 293 A CA 0.888 52.881 52.037 -0.073 0.000 0.823 293 A CB -0.659 18.304 19.000 -0.062 0.000 0.846 293 A HN 2.231 nan 8.150 nan 0.000 0.486 294 G N -1.296 107.447 108.800 -0.096 0.000 2.629 294 G HA2 0.037 4.309 3.960 0.521 0.000 0.686 294 G HA3 0.037 4.309 3.960 0.521 0.000 0.686 294 G C 0.598 175.421 174.900 -0.129 0.000 1.232 294 G CA 0.203 45.249 45.100 -0.089 0.000 0.803 294 G HN 1.209 nan 8.290 nan 0.000 0.638 295 S N -0.416 115.213 115.700 -0.118 0.000 2.442 295 S HA 0.138 4.921 4.470 0.521 0.000 0.236 295 S C 2.475 176.957 174.600 -0.196 0.000 1.007 295 S CA 1.844 59.959 58.200 -0.141 0.000 0.965 295 S CB -0.055 63.090 63.200 -0.090 0.000 0.773 295 S HN 2.191 nan 8.310 nan 0.000 0.504 296 A N 0.805 123.476 122.820 -0.248 0.000 2.072 296 A HA 0.331 4.963 4.320 0.521 0.000 0.216 296 A C 1.962 179.223 177.584 -0.539 0.000 1.156 296 A CA 0.682 52.452 52.037 -0.443 0.000 0.701 296 A CB -0.213 18.407 19.000 -0.633 0.000 0.816 296 A HN 0.537 nan 8.150 nan 0.000 0.458 297 I N -1.856 118.486 120.570 -0.380 0.000 3.971 297 I HA 0.040 4.522 4.170 0.521 0.000 0.303 297 I C 2.147 178.203 176.117 -0.102 0.000 1.233 297 I CA 0.831 61.957 61.300 -0.290 0.000 1.346 297 I CB -1.152 36.656 38.000 -0.320 0.000 1.273 297 I HN 0.118 nan 8.210 nan 0.000 0.448 298 S N 2.643 118.277 115.700 -0.109 0.000 2.374 298 S HA -0.093 4.690 4.470 0.521 0.000 0.227 298 S C -0.443 174.124 174.600 -0.055 0.000 1.037 298 S CA 1.841 60.005 58.200 -0.061 0.000 1.024 298 S CB -1.273 61.872 63.200 -0.091 0.000 0.861 298 S HN 0.331 nan 8.310 nan 0.000 0.456 299 P HA -0.074 nan 4.420 nan 0.000 0.215 299 P C 1.416 178.661 177.300 -0.092 0.000 1.153 299 P CA 1.017 64.055 63.100 -0.104 0.000 0.853 299 P CB -0.246 31.361 31.700 -0.154 0.000 0.788 300 L N -1.006 120.158 121.223 -0.098 0.000 2.046 300 L HA -0.142 4.510 4.340 0.521 0.000 0.208 300 L C 2.792 179.638 176.870 -0.040 0.000 1.077 300 L CA 1.393 56.155 54.840 -0.131 0.000 0.747 300 L CB -0.968 41.122 42.059 0.052 0.000 0.896 300 L HN -0.128 nan 8.230 nan 0.000 0.432 301 I N -0.105 120.568 120.570 0.172 0.000 2.208 301 I HA -0.326 4.157 4.170 0.521 0.000 0.245 301 I C 2.531 178.727 176.117 0.132 0.000 1.097 301 I CA 1.384 62.823 61.300 0.233 0.000 1.363 301 I CB -0.262 37.858 38.000 0.201 0.000 1.051 301 I HN 0.244 nan 8.210 nan 0.000 0.413 302 L N 0.318 121.581 121.223 0.067 0.000 2.017 302 L HA -0.233 4.419 4.340 0.521 0.000 0.208 302 L C 2.575 179.466 176.870 0.036 0.000 1.073 302 L CA 1.627 56.509 54.840 0.070 0.000 0.745 302 L CB -0.635 41.440 42.059 0.027 0.000 0.894 302 L HN 0.262 nan 8.230 nan 0.000 0.432 303 E N -0.738 119.429 120.200 -0.055 0.000 2.077 303 E HA -0.238 4.424 4.350 0.521 0.000 0.193 303 E C 2.137 178.673 176.600 -0.108 0.000 0.989 303 E CA 1.364 57.693 56.400 -0.118 0.000 0.800 303 E CB -0.154 29.422 29.700 -0.206 0.000 0.746 303 E HN 0.432 nan 8.360 nan 0.000 0.452 304 Y N 0.759 121.039 120.300 -0.034 0.000 2.333 304 Y HA -0.113 4.749 4.550 0.519 0.000 0.290 304 Y C 2.310 178.193 175.900 -0.029 0.000 1.144 304 Y CA 0.927 58.978 58.100 -0.082 0.000 1.228 304 Y CB -0.045 38.302 38.460 -0.187 0.000 0.985 304 Y HN -0.075 nan 8.280 nan 0.000 0.542 305 S N -1.365 114.444 115.700 0.182 0.000 2.593 305 S HA 0.268 5.050 4.470 0.521 0.000 0.217 305 S C 1.689 176.403 174.600 0.189 0.000 0.966 305 S CA 0.632 58.971 58.200 0.231 0.000 0.914 305 S CB -0.142 63.273 63.200 0.358 0.000 0.776 305 S HN 0.650 nan 8.310 nan 0.000 0.523 306 G N 1.480 110.329 108.800 0.082 0.000 2.144 306 G HA2 -0.204 4.068 3.960 0.521 0.000 0.218 306 G HA3 -0.204 4.068 3.960 0.521 0.000 0.218 306 G C -0.080 174.796 174.900 -0.039 0.000 0.988 306 G CA -0.433 44.674 45.100 0.011 0.000 0.659 306 G HN 0.500 nan 8.290 nan 0.000 0.522 307 I N 1.160 121.718 120.570 -0.019 0.000 2.354 307 I HA 0.656 5.138 4.170 0.521 0.000 0.286 307 I C 0.779 176.868 176.117 -0.048 0.000 1.007 307 I CA 0.179 61.449 61.300 -0.050 0.000 1.167 307 I CB 1.246 39.229 38.000 -0.029 0.000 1.320 307 I HN 0.472 nan 8.210 nan 0.000 0.458 308 G N 5.429 114.188 108.800 -0.068 0.000 2.327 308 G HA2 0.259 4.532 3.960 0.521 0.000 0.291 308 G HA3 0.259 4.532 3.960 0.521 0.000 0.291 308 G C -1.343 173.496 174.900 -0.101 0.000 1.290 308 G CA -1.083 43.972 45.100 -0.076 0.000 0.857 308 G HN 0.321 nan 8.290 nan 0.000 0.520 309 L N 1.119 122.266 121.223 -0.126 0.000 2.453 309 L HA 0.233 4.886 4.340 0.521 0.000 0.272 309 L C 2.148 178.937 176.870 -0.135 0.000 1.182 309 L CA -0.190 54.563 54.840 -0.145 0.000 0.858 309 L CB 1.054 43.002 42.059 -0.185 0.000 1.120 309 L HN 0.838 nan 8.230 nan 0.000 0.474 310 K N 1.522 121.858 120.400 -0.106 0.000 2.063 310 K HA -0.209 4.424 4.320 0.521 0.000 0.208 310 K C 2.081 178.621 176.600 -0.100 0.000 1.048 310 K CA 1.875 58.108 56.287 -0.090 0.000 0.928 310 K CB 0.033 32.492 32.500 -0.070 0.000 0.713 310 K HN 0.845 nan 8.250 nan 0.000 0.442 311 S N 0.088 115.721 115.700 -0.111 0.000 2.370 311 S HA -0.145 4.638 4.470 0.521 0.000 0.226 311 S C 2.046 176.558 174.600 -0.145 0.000 1.033 311 S CA 1.578 59.711 58.200 -0.112 0.000 1.011 311 S CB -0.750 62.386 63.200 -0.107 0.000 0.852 311 S HN 0.140 nan 8.310 nan 0.000 0.457 312 V N 2.335 122.117 119.914 -0.220 0.000 2.307 312 V HA -0.081 4.352 4.120 0.521 0.000 0.245 312 V C 2.604 178.600 176.094 -0.164 0.000 1.045 312 V CA 1.765 63.903 62.300 -0.270 0.000 1.024 312 V CB -0.864 30.666 31.823 -0.489 0.000 0.651 312 V HN 0.466 nan 8.190 nan 0.000 0.449 313 L N -0.295 120.846 121.223 -0.137 0.000 2.046 313 L HA -0.176 4.476 4.340 0.521 0.000 0.208 313 L C 2.375 179.204 176.870 -0.068 0.000 1.077 313 L CA 1.559 56.343 54.840 -0.093 0.000 0.747 313 L CB -0.834 41.177 42.059 -0.079 0.000 0.896 313 L HN 0.326 nan 8.230 nan 0.000 0.432 314 D N 0.005 120.363 120.400 -0.069 0.000 2.104 314 D HA -0.198 4.754 4.640 0.521 0.000 0.194 314 D C 2.355 178.629 176.300 -0.044 0.000 0.994 314 D CA 1.158 55.128 54.000 -0.050 0.000 0.830 314 D CB -0.174 40.596 40.800 -0.050 0.000 0.959 314 D HN 0.345 nan 8.370 nan 0.000 0.452 315 Q N -0.086 119.682 119.800 -0.054 0.000 2.135 315 Q HA -0.081 4.571 4.340 0.521 0.000 0.204 315 Q C 1.904 177.885 176.000 -0.031 0.000 0.981 315 Q CA 1.428 57.206 55.803 -0.042 0.000 0.856 315 Q CB -0.114 28.593 28.738 -0.052 0.000 0.902 315 Q HN 0.223 nan 8.270 nan 0.000 0.425 316 A N 0.851 123.648 122.820 -0.037 0.000 2.238 316 A HA -0.050 4.582 4.320 0.521 0.000 0.208 316 A C 0.659 178.239 177.584 -0.006 0.000 1.177 316 A CA 0.493 52.519 52.037 -0.018 0.000 0.804 316 A CB -0.063 18.917 19.000 -0.033 0.000 0.823 316 A HN 0.492 nan 8.150 nan 0.000 0.482 317 N N -1.574 117.117 118.700 -0.015 0.000 2.776 317 N HA -0.140 4.913 4.740 0.521 0.000 0.249 317 N C -0.846 174.662 175.510 -0.003 0.000 1.111 317 N CA 0.964 54.009 53.050 -0.010 0.000 0.711 317 N CB -1.813 36.671 38.487 -0.005 0.000 1.065 317 N HN 0.178 nan 8.380 nan 0.000 0.556 318 V N 0.952 120.862 119.914 -0.008 0.000 2.398 318 V HA 0.377 4.810 4.120 0.521 0.000 0.286 318 V C 0.751 176.839 176.094 -0.010 0.000 1.026 318 V CA -0.559 61.742 62.300 0.002 0.000 0.868 318 V CB 1.729 33.557 31.823 0.009 0.000 0.982 318 V HN 0.242 nan 8.190 nan 0.000 0.443 319 T N 4.982 119.534 114.554 -0.003 0.000 2.853 319 T HA 0.088 4.751 4.350 0.521 0.000 0.298 319 T C 0.092 174.781 174.700 -0.019 0.000 0.978 319 T CA 0.288 62.381 62.100 -0.011 0.000 1.152 319 T CB 0.328 69.194 68.868 -0.003 0.000 0.914 319 T HN 0.752 nan 8.240 nan 0.000 0.539 320 Q N 2.546 122.325 119.800 -0.034 0.000 2.304 320 Q HA 0.199 4.852 4.340 0.521 0.000 0.260 320 Q C 0.375 176.339 176.000 -0.060 0.000 0.965 320 Q CA -0.549 55.224 55.803 -0.049 0.000 0.898 320 Q CB 0.545 29.249 28.738 -0.056 0.000 1.196 320 Q HN 0.557 nan 8.270 nan 0.000 0.402 321 L N 4.962 126.134 121.223 -0.086 0.000 2.316 321 L HA 0.365 5.018 4.340 0.521 0.000 0.207 321 L C -0.684 176.102 176.870 -0.140 0.000 1.070 321 L CA 0.853 55.614 54.840 -0.130 0.000 0.820 321 L CB 0.591 42.513 42.059 -0.228 0.000 0.992 321 L HN 0.643 nan 8.230 nan 0.000 0.466 322 L N -0.498 120.647 121.223 -0.130 0.000 2.526 322 L HA 0.389 5.041 4.340 0.521 0.000 0.263 322 L C -1.384 175.435 176.870 -0.086 0.000 0.943 322 L CA -0.419 54.354 54.840 -0.111 0.000 0.859 322 L CB 1.592 43.567 42.059 -0.140 0.000 1.313 322 L HN -0.082 nan 8.230 nan 0.000 0.406 323 D N 5.294 125.651 120.400 -0.072 0.000 2.313 323 D HA 0.481 5.433 4.640 0.521 0.000 0.239 323 D C -1.286 174.971 176.300 -0.070 0.000 1.142 323 D CA 0.042 53.999 54.000 -0.073 0.000 0.847 323 D CB 0.791 41.551 40.800 -0.066 0.000 1.082 323 D HN 0.523 nan 8.370 nan 0.000 0.480 324 L N 4.726 125.899 121.223 -0.083 0.000 2.466 324 L HA 0.316 4.968 4.340 0.521 0.000 0.258 324 L C -2.282 174.498 176.870 -0.149 0.000 0.973 324 L CA -1.867 52.922 54.840 -0.085 0.000 0.826 324 L CB 3.433 45.471 42.059 -0.035 0.000 1.372 324 L HN 0.234 nan 8.230 nan 0.000 0.409 325 P HA 0.079 nan 4.420 nan 0.000 0.225 325 P C -0.236 176.938 177.300 -0.210 0.000 1.768 325 P CA -0.054 62.807 63.100 -0.399 0.000 0.943 325 P CB -0.035 31.135 31.700 -0.883 0.000 1.936 326 V N 0.916 120.763 119.914 -0.113 0.000 2.715 326 V HA 0.319 4.752 4.120 0.521 0.000 0.299 326 V C 1.762 177.837 176.094 -0.031 0.000 1.054 326 V CA 1.247 63.507 62.300 -0.066 0.000 1.077 326 V CB 0.098 31.894 31.823 -0.046 0.000 0.972 326 V HN 0.665 nan 8.190 nan 0.000 0.484 327 G N 3.757 112.494 108.800 -0.105 0.000 2.153 327 G HA2 -0.236 4.036 3.960 0.521 0.000 0.252 327 G HA3 -0.236 4.036 3.960 0.521 0.000 0.252 327 G C -0.044 174.682 174.900 -0.290 0.000 0.994 327 G CA 0.667 45.624 45.100 -0.237 0.000 0.698 327 G HN 1.039 nan 8.290 nan 0.000 0.521 328 I N -5.843 114.664 120.570 -0.106 0.000 3.170 328 I HA 0.839 5.322 4.170 0.521 0.000 0.312 328 I C 0.749 176.909 176.117 0.071 0.000 1.085 328 I CA -0.635 60.657 61.300 -0.014 0.000 0.999 328 I CB 1.849 39.879 38.000 0.050 0.000 1.233 328 I HN 0.013 nan 8.210 nan 0.000 0.467 329 N N 0.420 119.224 118.700 0.172 0.000 2.948 329 N HA -0.212 4.841 4.740 0.521 0.000 0.239 329 N C -0.179 175.310 175.510 -0.035 0.000 0.954 329 N CA 1.272 54.378 53.050 0.094 0.000 0.941 329 N CB -1.019 37.533 38.487 0.108 0.000 1.101 329 N HN 0.846 nan 8.380 nan 0.000 0.579 330 M N 0.970 120.540 119.600 -0.051 0.000 2.239 330 M HA 0.045 4.838 4.480 0.521 0.000 0.348 330 M C -0.573 175.688 176.300 -0.064 0.000 1.239 330 M CA 0.735 55.985 55.300 -0.084 0.000 1.114 330 M CB 0.332 32.854 32.600 -0.129 0.000 1.641 330 M HN 0.109 nan 8.290 nan 0.000 0.453 331 Q N 3.770 123.551 119.800 -0.031 0.000 2.337 331 Q HA 0.311 4.964 4.340 0.521 0.000 0.264 331 Q C -1.539 174.496 176.000 0.058 0.000 1.007 331 Q CA -0.751 55.063 55.803 0.019 0.000 0.727 331 Q CB 1.784 30.565 28.738 0.072 0.000 1.256 331 Q HN 0.611 nan 8.270 nan 0.000 0.467 332 D N 1.363 121.803 120.400 0.068 0.000 2.414 332 D HA 0.324 5.277 4.640 0.521 0.000 0.241 332 D C -0.876 175.591 176.300 0.279 0.000 1.008 332 D CA -0.416 53.693 54.000 0.182 0.000 1.001 332 D CB 1.497 42.451 40.800 0.257 0.000 1.277 332 D HN 0.308 nan 8.370 nan 0.000 0.538 333 Q N -0.483 119.415 119.800 0.163 0.000 2.248 333 Q HA 0.549 5.201 4.340 0.521 0.000 0.263 333 Q C -0.653 175.198 176.000 -0.249 0.000 1.007 333 Q CA -0.910 54.903 55.803 0.018 0.000 0.877 333 Q CB 1.840 30.549 28.738 -0.048 0.000 1.315 333 Q HN 0.480 nan 8.270 nan 0.000 0.454 334 T N -1.491 112.848 114.554 -0.359 0.000 2.799 334 T HA 0.541 5.203 4.350 0.521 0.000 0.286 334 T C -0.251 174.333 174.700 -0.193 0.000 0.973 334 T CA -0.720 61.027 62.100 -0.589 0.000 1.035 334 T CB 1.204 69.580 68.868 -0.819 0.000 0.932 334 T HN 0.377 nan 8.240 nan 0.000 0.469 335 T N 3.203 117.648 114.554 -0.182 0.000 2.829 335 T HA 0.709 5.371 4.350 0.521 0.000 0.280 335 T C 0.246 175.000 174.700 0.090 0.000 0.999 335 T CA -0.724 61.373 62.100 -0.006 0.000 0.983 335 T CB 1.563 70.318 68.868 -0.189 0.000 0.968 335 T HN 0.993 nan 8.240 nan 0.000 0.446 336 T N -0.312 114.343 114.554 0.168 0.000 2.907 336 T HA 0.796 5.458 4.350 0.521 0.000 0.290 336 T C -0.629 174.203 174.700 0.220 0.000 1.066 336 T CA -0.828 61.399 62.100 0.211 0.000 1.012 336 T CB 1.855 70.879 68.868 0.260 0.000 1.184 336 T HN 0.394 nan 8.240 nan 0.000 0.522 337 T N 0.931 115.641 114.554 0.260 0.000 2.881 337 T HA 0.620 5.283 4.350 0.521 0.000 0.290 337 T C -1.093 173.784 174.700 0.295 0.000 1.000 337 T CA -0.591 61.666 62.100 0.261 0.000 0.978 337 T CB 1.553 70.558 68.868 0.228 0.000 0.997 337 T HN 0.636 nan 8.240 nan 0.000 0.443 338 V N 2.617 122.707 119.914 0.294 0.000 2.443 338 V HA 0.710 5.142 4.120 0.521 0.000 0.293 338 V C -0.291 175.988 176.094 0.308 0.000 1.021 338 V CA -0.551 61.930 62.300 0.302 0.000 0.848 338 V CB 1.724 33.701 31.823 0.256 0.000 0.998 338 V HN 0.884 nan 8.190 nan 0.000 0.424 339 S N 3.397 119.241 115.700 0.240 0.000 2.538 339 S HA 0.846 5.628 4.470 0.521 0.000 0.288 339 S C -0.622 174.082 174.600 0.172 0.000 1.108 339 S CA -0.314 57.998 58.200 0.187 0.000 0.971 339 S CB 1.776 65.059 63.200 0.138 0.000 1.041 339 S HN 0.725 nan 8.310 nan 0.000 0.483 340 S N 2.347 118.145 115.700 0.164 0.000 2.569 340 S HA 0.528 5.310 4.470 0.521 0.000 0.280 340 S C -0.824 173.807 174.600 0.051 0.000 1.111 340 S CA -0.858 57.434 58.200 0.153 0.000 0.887 340 S CB 1.645 65.070 63.200 0.375 0.000 1.095 340 S HN 0.806 nan 8.310 nan 0.000 0.476 341 R N 1.043 121.516 120.500 -0.045 0.000 2.441 341 R HA 0.637 5.289 4.340 0.521 0.000 0.284 341 R C -0.305 175.965 176.300 -0.049 0.000 1.070 341 R CA -0.289 55.776 56.100 -0.059 0.000 1.047 341 R CB 0.388 30.628 30.300 -0.100 0.000 1.016 341 R HN 0.728 nan 8.270 nan 0.000 0.477 342 A N 2.720 125.538 122.820 -0.003 0.000 2.295 342 A HA 0.383 5.016 4.320 0.521 0.000 0.318 342 A C -0.105 177.503 177.584 0.040 0.000 1.134 342 A CA -0.525 51.541 52.037 0.048 0.000 0.827 342 A CB 1.033 20.064 19.000 0.052 0.000 1.136 342 A HN 0.954 nan 8.150 nan 0.000 0.493 343 S N 0.859 116.615 115.700 0.095 0.000 2.606 343 S HA 0.155 4.938 4.470 0.521 0.000 0.257 343 S C 1.378 176.028 174.600 0.083 0.000 1.327 343 S CA 0.149 58.392 58.200 0.072 0.000 0.984 343 S CB 0.438 63.692 63.200 0.091 0.000 0.941 343 S HN 1.584 nan 8.310 nan 0.000 0.576 344 S N 0.903 116.636 115.700 0.056 0.000 2.382 344 S HA -0.110 4.672 4.470 0.521 0.000 0.228 344 S C 2.022 176.668 174.600 0.076 0.000 1.027 344 S CA 0.785 59.013 58.200 0.047 0.000 0.991 344 S CB -1.354 61.863 63.200 0.029 0.000 0.823 344 S HN 1.148 nan 8.310 nan 0.000 0.469 345 A N 1.784 124.681 122.820 0.128 0.000 1.978 345 A HA 0.202 4.834 4.320 0.521 0.000 0.220 345 A C 2.230 179.937 177.584 0.206 0.000 1.170 345 A CA 1.403 53.555 52.037 0.192 0.000 0.636 345 A CB -1.433 17.720 19.000 0.255 0.000 0.810 345 A HN 0.680 nan 8.150 nan 0.000 0.448 346 G N -0.960 107.966 108.800 0.210 0.000 2.920 346 G HA2 0.400 4.672 3.960 0.521 0.000 0.208 346 G HA3 0.400 4.672 3.960 0.521 0.000 0.208 346 G C 0.667 175.513 174.900 -0.090 0.000 1.159 346 G CA 0.557 45.599 45.100 -0.097 0.000 0.784 346 G HN 0.767 nan 8.290 nan 0.000 0.535 347 A N -0.427 122.379 122.820 -0.023 0.000 2.429 347 A HA 0.680 5.312 4.320 0.521 0.000 0.242 347 A C 1.001 178.551 177.584 -0.055 0.000 1.088 347 A CA 0.808 52.824 52.037 -0.035 0.000 0.784 347 A CB -0.052 18.937 19.000 -0.018 0.000 1.038 347 A HN 1.769 nan 8.150 nan 0.000 0.501 348 G N -0.528 108.232 108.800 -0.067 0.000 2.371 348 G HA2 0.396 4.668 3.960 0.521 0.000 0.663 348 G HA3 0.396 4.668 3.960 0.521 0.000 0.663 348 G C -0.643 174.188 174.900 -0.114 0.000 1.311 348 G CA -0.152 44.888 45.100 -0.099 0.000 0.985 348 G HN 1.567 nan 8.290 nan 0.000 0.566 349 Q N -0.474 119.206 119.800 -0.200 0.000 2.199 349 Q HA 0.749 5.401 4.340 0.521 0.000 0.232 349 Q C 0.352 176.327 176.000 -0.041 0.000 0.969 349 Q CA -0.427 55.255 55.803 -0.202 0.000 0.925 349 Q CB 2.022 30.509 28.738 -0.417 0.000 1.198 349 Q HN 2.612 nan 8.270 nan 0.000 0.494 350 G N 0.514 109.340 108.800 0.042 0.000 2.351 350 G HA2 0.089 4.361 3.960 0.521 0.000 0.472 350 G HA3 0.089 4.361 3.960 0.521 0.000 0.472 350 G C -1.744 173.195 174.900 0.064 0.000 1.570 350 G CA -0.936 44.289 45.100 0.208 0.000 0.921 350 G HN 0.575 nan 8.290 nan 0.000 0.674 351 Q N -0.569 119.255 119.800 0.040 0.000 2.394 351 Q HA 0.815 5.467 4.340 0.521 0.000 0.273 351 Q C -0.196 175.664 176.000 -0.234 0.000 1.089 351 Q CA -0.688 55.041 55.803 -0.123 0.000 0.812 351 Q CB 2.652 31.328 28.738 -0.104 0.000 1.353 351 Q HN 1.512 nan 8.270 nan 0.000 0.438 352 A N 1.259 123.869 122.820 -0.349 0.000 2.498 352 A HA 0.792 5.425 4.320 0.521 0.000 0.298 352 A C -1.316 176.049 177.584 -0.364 0.000 1.075 352 A CA -0.554 51.309 52.037 -0.291 0.000 0.714 352 A CB 1.766 20.651 19.000 -0.190 0.000 1.299 352 A HN 0.407 nan 8.150 nan 0.000 0.407 353 V N 1.905 121.698 119.914 -0.200 0.000 2.540 353 V HA 0.523 4.956 4.120 0.521 0.000 0.302 353 V C -1.280 174.850 176.094 0.060 0.000 1.035 353 V CA -0.443 61.751 62.300 -0.178 0.000 0.873 353 V CB 1.632 33.378 31.823 -0.128 0.000 0.992 353 V HN 0.783 nan 8.190 nan 0.000 0.428 354 F N 5.860 125.664 119.950 -0.243 0.000 2.361 354 F HA 0.606 5.446 4.527 0.523 0.000 0.364 354 F C -0.876 174.704 175.800 -0.366 0.000 1.117 354 F CA -2.126 55.773 58.000 -0.168 0.000 1.071 354 F CB 0.973 39.895 39.000 -0.130 0.000 1.188 354 F HN 0.346 nan 8.300 nan 0.000 0.464 355 F N 5.410 125.450 119.950 0.151 0.000 2.351 355 F HA 0.516 5.354 4.527 0.518 0.000 0.362 355 F C 0.581 176.249 175.800 -0.219 0.000 1.131 355 F CA -0.580 57.274 58.000 -0.243 0.000 1.187 355 F CB 0.343 39.064 39.000 -0.465 0.000 1.434 355 F HN 0.585 nan 8.300 nan 0.000 0.553 356 A N 3.975 126.513 122.820 -0.470 0.000 2.328 356 A HA 0.467 5.099 4.320 0.521 0.000 0.284 356 A C 0.333 177.834 177.584 -0.138 0.000 1.160 356 A CA -0.759 50.927 52.037 -0.585 0.000 0.818 356 A CB 0.188 18.489 19.000 -1.165 0.000 1.087 356 A HN 0.690 nan 8.150 nan 0.000 0.504 357 N N 1.428 120.141 118.700 0.021 0.000 2.374 357 N HA 0.119 5.171 4.740 0.521 0.000 0.284 357 N C 0.673 176.315 175.510 0.220 0.000 1.280 357 N CA -0.297 52.846 53.050 0.154 0.000 0.963 357 N CB -0.262 38.326 38.487 0.169 0.000 1.141 357 N HN 0.450 nan 8.380 nan 0.000 0.565 358 F N -0.004 120.030 119.950 0.140 0.000 2.069 358 F HA -0.182 4.657 4.527 0.519 0.000 0.298 358 F C 2.011 177.921 175.800 0.184 0.000 1.113 358 F CA 2.347 60.423 58.000 0.126 0.000 1.214 358 F CB -0.774 38.283 39.000 0.096 0.000 0.978 358 F HN 0.499 nan 8.300 nan 0.000 0.474 359 T N -0.299 114.405 114.554 0.251 0.000 2.904 359 T HA -0.136 4.526 4.350 0.521 0.000 0.267 359 T C 1.650 176.374 174.700 0.041 0.000 1.059 359 T CA 1.493 63.668 62.100 0.124 0.000 1.137 359 T CB -0.336 68.652 68.868 0.200 0.000 0.879 359 T HN 0.368 nan 8.240 nan 0.000 0.467 360 E N 0.803 121.034 120.200 0.052 0.000 2.110 360 E HA -0.091 4.572 4.350 0.521 0.000 0.193 360 E C 2.343 178.877 176.600 -0.110 0.000 0.988 360 E CA 1.353 57.766 56.400 0.020 0.000 0.804 360 E CB -0.184 29.567 29.700 0.085 0.000 0.745 360 E HN 0.388 nan 8.360 nan 0.000 0.458 361 T N 0.266 114.702 114.554 -0.197 0.000 2.770 361 T HA -0.070 4.592 4.350 0.521 0.000 0.263 361 T C 1.360 175.803 174.700 -0.428 0.000 1.039 361 T CA 0.897 62.775 62.100 -0.369 0.000 1.142 361 T CB -0.224 68.434 68.868 -0.351 0.000 0.868 361 T HN 0.062 nan 8.240 nan 0.000 0.435 362 F N 1.253 121.049 119.950 -0.257 0.000 2.416 362 F HA 0.270 5.110 4.527 0.521 0.000 0.296 362 F C 2.123 177.846 175.800 -0.128 0.000 1.099 362 F CA 0.259 58.114 58.000 -0.242 0.000 1.427 362 F CB -0.966 37.763 39.000 -0.451 0.000 1.079 362 F HN 0.360 nan 8.300 nan 0.000 0.536 363 G N 0.791 109.617 108.800 0.043 0.000 2.629 363 G HA2 -0.424 3.849 3.960 0.521 0.000 0.313 363 G HA3 -0.424 3.849 3.960 0.521 0.000 0.313 363 G C 0.971 175.912 174.900 0.069 0.000 1.217 363 G CA 0.782 45.906 45.100 0.039 0.000 0.994 363 G HN 0.236 nan 8.290 nan 0.000 0.549 364 D N -0.548 119.897 120.400 0.075 0.000 2.310 364 D HA 0.008 4.960 4.640 0.521 0.000 0.212 364 D C 1.727 178.091 176.300 0.107 0.000 0.965 364 D CA 1.257 55.303 54.000 0.077 0.000 0.879 364 D CB -0.058 40.785 40.800 0.072 0.000 0.921 364 D HN 0.396 nan 8.370 nan 0.000 0.510 365 Y N 0.698 121.004 120.300 0.009 0.000 2.466 365 Y HA 0.283 5.146 4.550 0.522 0.000 0.272 365 Y C 1.968 177.795 175.900 -0.122 0.000 1.169 365 Y CA -0.207 57.878 58.100 -0.024 0.000 1.285 365 Y CB 0.041 38.517 38.460 0.026 0.000 1.078 365 Y HN -0.088 nan 8.280 nan 0.000 0.523 366 A N 1.159 123.949 122.820 -0.051 0.000 1.873 366 A HA -0.192 4.441 4.320 0.521 0.000 0.218 366 A C -0.113 177.419 177.584 -0.086 0.000 1.193 366 A CA 1.954 53.913 52.037 -0.130 0.000 0.629 366 A CB -1.813 17.201 19.000 0.023 0.000 0.826 366 A HN 0.363 nan 8.150 nan 0.000 0.447 367 P HA -0.186 nan 4.420 nan 0.000 0.214 367 P C 1.366 178.539 177.300 -0.211 0.000 1.163 367 P CA 1.763 64.801 63.100 -0.103 0.000 0.889 367 P CB -0.162 31.477 31.700 -0.101 0.000 0.790 368 Q N -0.567 118.965 119.800 -0.448 0.000 2.050 368 Q HA -0.107 4.546 4.340 0.521 0.000 0.202 368 Q C 2.322 178.053 176.000 -0.449 0.000 0.980 368 Q CA 2.069 57.511 55.803 -0.602 0.000 0.840 368 Q CB -1.273 26.686 28.738 -1.298 0.000 0.898 368 Q HN 0.175 nan 8.270 nan 0.000 0.424 369 A N 0.802 123.302 122.820 -0.534 0.000 1.902 369 A HA -0.226 4.406 4.320 0.521 0.000 0.217 369 A C 2.061 179.731 177.584 0.144 0.000 1.181 369 A CA 1.632 53.505 52.037 -0.273 0.000 0.623 369 A CB -0.537 17.686 19.000 -1.295 0.000 0.818 369 A HN 0.275 nan 8.150 nan 0.000 0.443 370 R N -0.380 120.230 120.500 0.183 0.000 2.081 370 R HA -0.178 4.475 4.340 0.521 0.000 0.235 370 R C 1.434 177.689 176.300 -0.076 0.000 1.131 370 R CA 1.861 57.993 56.100 0.053 0.000 0.960 370 R CB -0.396 29.924 30.300 0.034 0.000 0.856 370 R HN 0.435 nan 8.270 nan 0.000 0.436 371 D N 0.717 121.065 120.400 -0.088 0.000 2.123 371 D HA -0.180 4.772 4.640 0.521 0.000 0.196 371 D C 2.006 178.227 176.300 -0.133 0.000 0.992 371 D CA 1.199 55.131 54.000 -0.113 0.000 0.833 371 D CB -0.210 40.523 40.800 -0.112 0.000 0.954 371 D HN 0.280 nan 8.370 nan 0.000 0.455 372 L N 0.171 121.349 121.223 -0.075 0.000 2.017 372 L HA -0.155 4.498 4.340 0.521 0.000 0.208 372 L C 2.620 179.281 176.870 -0.347 0.000 1.073 372 L CA 0.733 55.521 54.840 -0.087 0.000 0.745 372 L CB -0.410 41.813 42.059 0.274 0.000 0.894 372 L HN 0.057 nan 8.230 nan 0.000 0.432 373 L N -0.402 120.652 121.223 -0.282 0.000 2.083 373 L HA -0.225 4.427 4.340 0.521 0.000 0.209 373 L C 2.026 178.672 176.870 -0.372 0.000 1.083 373 L CA 1.594 56.168 54.840 -0.442 0.000 0.752 373 L CB -0.568 41.248 42.059 -0.404 0.000 0.899 373 L HN 0.395 nan 8.230 nan 0.000 0.433 374 N N -1.393 117.140 118.700 -0.277 0.000 2.396 374 N HA -0.117 4.935 4.740 0.521 0.000 0.180 374 N C 1.425 176.794 175.510 -0.236 0.000 1.028 374 N CA 1.439 54.356 53.050 -0.220 0.000 0.893 374 N CB 0.235 38.622 38.487 -0.166 0.000 0.967 374 N HN 0.421 nan 8.380 nan 0.000 0.440 375 T N -3.336 111.038 114.554 -0.301 0.000 2.954 375 T HA 0.230 4.893 4.350 0.521 0.000 0.252 375 T C 1.241 175.698 174.700 -0.405 0.000 0.983 375 T CA -0.191 61.739 62.100 -0.283 0.000 0.941 375 T CB 0.382 69.123 68.868 -0.213 0.000 1.141 375 T HN -0.143 nan 8.240 nan 0.000 0.500 376 K N 1.191 121.168 120.400 -0.704 0.000 2.358 376 K HA 0.428 5.060 4.320 0.521 0.000 0.197 376 K C 1.779 177.703 176.600 -1.126 0.000 1.025 376 K CA -0.109 55.555 56.287 -1.038 0.000 1.104 376 K CB 0.069 31.598 32.500 -1.618 0.000 0.855 376 K HN 0.371 nan 8.250 nan 0.000 0.531 377 L N 0.969 121.773 121.223 -0.699 0.000 2.013 377 L HA -0.246 4.406 4.340 0.521 0.000 0.212 377 L C 1.797 178.689 176.870 0.036 0.000 1.073 377 L CA 1.504 56.220 54.840 -0.207 0.000 0.753 377 L CB -0.483 41.570 42.059 -0.010 0.000 0.890 377 L HN 0.200 nan 8.230 nan 0.000 0.432 378 D N -0.396 119.965 120.400 -0.066 0.000 2.097 378 D HA -0.245 4.708 4.640 0.521 0.000 0.195 378 D C 2.128 178.451 176.300 0.039 0.000 0.989 378 D CA 1.438 55.438 54.000 -0.001 0.000 0.827 378 D CB -0.057 40.717 40.800 -0.043 0.000 0.966 378 D HN 0.425 nan 8.370 nan 0.000 0.456 379 Q N -0.201 119.576 119.800 -0.039 0.000 2.050 379 Q HA -0.172 4.480 4.340 0.521 0.000 0.202 379 Q C 2.175 178.309 176.000 0.223 0.000 0.980 379 Q CA 1.325 57.147 55.803 0.031 0.000 0.840 379 Q CB -0.064 28.642 28.738 -0.053 0.000 0.898 379 Q HN 0.275 nan 8.270 nan 0.000 0.424 380 W N 0.132 121.508 121.300 0.128 0.000 2.338 380 W HA -0.083 4.895 4.660 0.530 0.000 0.304 380 W C 2.434 179.165 176.519 0.352 0.000 1.212 380 W CA 1.064 58.531 57.345 0.204 0.000 1.264 380 W CB -1.207 28.325 29.460 0.120 0.000 1.142 380 W HN 0.371 nan 8.180 nan 0.000 0.512 381 A N 0.277 123.465 122.820 0.612 0.000 1.902 381 A HA -0.225 4.407 4.320 0.521 0.000 0.217 381 A C 1.917 179.623 177.584 0.203 0.000 1.181 381 A CA 1.922 54.143 52.037 0.307 0.000 0.623 381 A CB -0.810 18.232 19.000 0.071 0.000 0.818 381 A HN 0.375 nan 8.150 nan 0.000 0.443 382 E N -0.343 119.964 120.200 0.179 0.000 2.077 382 E HA -0.208 4.454 4.350 0.521 0.000 0.193 382 E C 2.031 178.722 176.600 0.151 0.000 0.989 382 E CA 1.466 57.943 56.400 0.129 0.000 0.800 382 E CB -0.181 29.578 29.700 0.097 0.000 0.746 382 E HN 0.749 nan 8.360 nan 0.000 0.452 383 E N -0.023 120.297 120.200 0.201 0.000 2.106 383 E HA -0.119 4.544 4.350 0.521 0.000 0.192 383 E C 2.107 178.819 176.600 0.185 0.000 0.984 383 E CA 1.327 57.840 56.400 0.187 0.000 0.806 383 E CB 0.008 29.840 29.700 0.220 0.000 0.750 383 E HN 0.143 nan 8.360 nan 0.000 0.458 384 T N 0.711 115.406 114.554 0.235 0.000 2.746 384 T HA -0.119 4.544 4.350 0.521 0.000 0.267 384 T C 2.079 176.889 174.700 0.185 0.000 1.039 384 T CA 0.936 63.167 62.100 0.219 0.000 1.142 384 T CB -0.142 68.897 68.868 0.286 0.000 0.866 384 T HN -0.023 nan 8.240 nan 0.000 0.444 385 V N 1.661 121.682 119.914 0.177 0.000 2.358 385 V HA -0.138 4.294 4.120 0.521 0.000 0.246 385 V C 2.877 179.038 176.094 0.110 0.000 1.047 385 V CA 1.614 64.005 62.300 0.152 0.000 1.035 385 V CB -1.148 30.747 31.823 0.120 0.000 0.658 385 V HN 0.520 nan 8.190 nan 0.000 0.452 386 A N 1.250 124.132 122.820 0.102 0.000 1.972 386 A HA -0.229 4.403 4.320 0.521 0.000 0.219 386 A C 2.241 179.872 177.584 0.079 0.000 1.169 386 A CA 1.909 53.994 52.037 0.080 0.000 0.635 386 A CB -0.490 18.557 19.000 0.079 0.000 0.810 386 A HN 0.726 nan 8.150 nan 0.000 0.446 387 R N -1.200 119.357 120.500 0.095 0.000 2.320 387 R HA 0.333 4.986 4.340 0.521 0.000 0.211 387 R C 0.994 177.346 176.300 0.086 0.000 0.931 387 R CA 0.750 56.901 56.100 0.086 0.000 1.071 387 R CB -0.577 29.777 30.300 0.090 0.000 1.025 387 R HN 0.775 nan 8.270 nan 0.000 0.495 388 G N -0.094 108.763 108.800 0.095 0.000 2.137 388 G HA2 -0.252 4.020 3.960 0.521 0.000 0.237 388 G HA3 -0.252 4.020 3.960 0.521 0.000 0.237 388 G C 0.646 175.622 174.900 0.127 0.000 1.002 388 G CA -0.035 45.125 45.100 0.101 0.000 0.702 388 G HN 0.521 nan 8.290 nan 0.000 0.515 389 G N -1.233 107.653 108.800 0.142 0.000 2.551 389 G HA2 0.441 4.714 3.960 0.521 0.000 0.216 389 G HA3 0.441 4.714 3.960 0.521 0.000 0.216 389 G C 0.308 175.376 174.900 0.280 0.000 1.137 389 G CA 1.021 46.214 45.100 0.154 0.000 0.798 389 G HN 0.860 nan 8.290 nan 0.000 0.536 390 F N -1.344 118.646 119.950 0.066 0.000 2.779 390 F HA 0.437 5.275 4.527 0.519 0.000 0.316 390 F C 0.398 176.301 175.800 0.173 0.000 1.164 390 F CA -1.205 56.859 58.000 0.107 0.000 0.924 390 F CB 1.112 40.147 39.000 0.059 0.000 1.348 390 F HN 0.048 nan 8.300 nan 0.000 0.467 391 H N -0.144 118.556 119.070 -0.617 0.000 3.241 391 H HA 0.351 5.219 4.556 0.521 0.000 0.260 391 H C -0.704 174.465 175.328 -0.265 0.000 1.084 391 H CA 0.065 55.894 56.048 -0.364 0.000 1.203 391 H CB 0.108 29.626 29.762 -0.407 0.000 1.524 391 H HN 0.294 nan 8.280 nan 0.000 0.521 392 N N 1.529 119.828 118.700 -0.668 0.000 2.531 392 N HA 0.165 5.217 4.740 0.521 0.000 0.268 392 N C 0.781 176.285 175.510 -0.011 0.000 1.023 392 N CA -0.229 52.565 53.050 -0.426 0.000 0.896 392 N CB 1.920 39.999 38.487 -0.680 0.000 1.233 392 N HN -0.080 nan 8.380 nan 0.000 0.512 393 V N 2.719 122.621 119.914 -0.019 0.000 2.332 393 V HA -0.216 4.216 4.120 0.521 0.000 0.248 393 V C 2.012 178.095 176.094 -0.019 0.000 1.055 393 V CA 2.228 64.537 62.300 0.015 0.000 1.038 393 V CB -0.725 31.103 31.823 0.008 0.000 0.651 393 V HN 0.668 nan 8.190 nan 0.000 0.450 394 T N 0.480 115.013 114.554 -0.035 0.000 2.746 394 T HA -0.168 4.494 4.350 0.521 0.000 0.267 394 T C 2.053 176.725 174.700 -0.046 0.000 1.039 394 T CA 1.671 63.744 62.100 -0.045 0.000 1.142 394 T CB -0.445 68.393 68.868 -0.050 0.000 0.866 394 T HN 0.581 nan 8.240 nan 0.000 0.444 395 A N 1.105 123.925 122.820 -0.000 0.000 1.930 395 A HA 0.048 4.681 4.320 0.521 0.000 0.217 395 A C 2.221 179.774 177.584 -0.051 0.000 1.175 395 A CA 1.042 53.108 52.037 0.048 0.000 0.627 395 A CB -0.695 18.426 19.000 0.202 0.000 0.815 395 A HN 0.392 nan 8.150 nan 0.000 0.443 396 L N 0.019 121.187 121.223 -0.091 0.000 2.093 396 L HA -0.070 4.582 4.340 0.521 0.000 0.208 396 L C 2.201 178.726 176.870 -0.576 0.000 1.085 396 L CA 2.466 57.007 54.840 -0.499 0.000 0.755 396 L CB -0.604 41.191 42.059 -0.440 0.000 0.904 396 L HN 0.448 nan 8.230 nan 0.000 0.435 397 K N -1.087 119.127 120.400 -0.311 0.000 2.103 397 K HA -0.161 4.472 4.320 0.521 0.000 0.207 397 K C 1.890 178.411 176.600 -0.133 0.000 1.048 397 K CA 1.783 57.966 56.287 -0.173 0.000 0.930 397 K CB -0.117 32.342 32.500 -0.068 0.000 0.716 397 K HN 0.288 nan 8.250 nan 0.000 0.444 398 V N 1.502 121.320 119.914 -0.160 0.000 2.287 398 V HA -0.297 4.135 4.120 0.521 0.000 0.248 398 V C 2.353 178.317 176.094 -0.215 0.000 1.053 398 V CA 1.960 64.157 62.300 -0.171 0.000 1.027 398 V CB -0.527 31.188 31.823 -0.181 0.000 0.646 398 V HN 0.453 nan 8.190 nan 0.000 0.447 399 Q N -1.377 118.276 119.800 -0.246 0.000 2.084 399 Q HA -0.212 4.441 4.340 0.521 0.000 0.202 399 Q C 2.315 178.121 176.000 -0.323 0.000 0.978 399 Q CA 1.884 57.506 55.803 -0.302 0.000 0.844 399 Q CB -0.248 28.224 28.738 -0.444 0.000 0.898 399 Q HN 0.637 nan 8.270 nan 0.000 0.426 400 Y N 1.270 121.419 120.300 -0.251 0.000 2.200 400 Y HA -0.145 4.716 4.550 0.518 0.000 0.290 400 Y C 2.042 177.960 175.900 0.031 0.000 1.137 400 Y CA 0.843 58.938 58.100 -0.007 0.000 1.163 400 Y CB -0.452 38.138 38.460 0.215 0.000 0.988 400 Y HN 0.210 nan 8.280 nan 0.000 0.518 401 E N -0.319 119.946 120.200 0.108 0.000 2.110 401 E HA -0.220 4.442 4.350 0.521 0.000 0.193 401 E C 1.942 178.511 176.600 -0.051 0.000 0.988 401 E CA 1.079 57.491 56.400 0.021 0.000 0.804 401 E CB -0.239 29.444 29.700 -0.029 0.000 0.745 401 E HN 0.356 nan 8.360 nan 0.000 0.458 402 N N 0.271 118.874 118.700 -0.160 0.000 2.084 402 N HA -0.197 4.855 4.740 0.521 0.000 0.190 402 N C 1.636 176.847 175.510 -0.499 0.000 1.030 402 N CA 1.328 54.198 53.050 -0.299 0.000 0.849 402 N CB -0.181 38.094 38.487 -0.354 0.000 1.012 402 N HN 0.108 nan 8.380 nan 0.000 0.423 403 Y N 1.039 120.976 120.300 -0.605 0.000 2.181 403 Y HA -0.018 4.843 4.550 0.518 0.000 0.288 403 Y C 2.604 178.454 175.900 -0.083 0.000 1.146 403 Y CA 0.915 58.683 58.100 -0.554 0.000 1.164 403 Y CB -0.902 37.238 38.460 -0.532 0.000 0.982 403 Y HN 0.158 nan 8.280 nan 0.000 0.515 404 R N 0.759 121.379 120.500 0.200 0.000 2.083 404 R HA -0.206 4.446 4.340 0.521 0.000 0.237 404 R C 2.249 178.583 176.300 0.057 0.000 1.137 404 R CA 1.693 57.859 56.100 0.110 0.000 0.951 404 R CB -0.468 29.852 30.300 0.034 0.000 0.851 404 R HN 0.432 nan 8.270 nan 0.000 0.434 405 N N -0.224 118.510 118.700 0.058 0.000 2.036 405 N HA -0.219 4.833 4.740 0.521 0.000 0.195 405 N C 1.421 177.084 175.510 0.255 0.000 1.037 405 N CA 1.752 54.868 53.050 0.110 0.000 0.855 405 N CB -0.236 38.320 38.487 0.115 0.000 1.033 405 N HN 0.272 nan 8.380 nan 0.000 0.423 406 W N 1.567 122.921 121.300 0.091 0.000 2.315 406 W HA -0.099 4.871 4.660 0.516 0.000 0.323 406 W C 2.531 179.084 176.519 0.057 0.000 1.233 406 W CA 0.434 57.826 57.345 0.079 0.000 1.267 406 W CB -1.189 28.337 29.460 0.110 0.000 1.160 406 W HN 0.118 nan 8.180 nan 0.000 0.474 407 L N -0.748 120.667 121.223 0.319 0.000 2.017 407 L HA -0.192 4.461 4.340 0.521 0.000 0.208 407 L C 2.338 179.187 176.870 -0.036 0.000 1.073 407 L CA 1.236 56.176 54.840 0.167 0.000 0.745 407 L CB -1.027 41.095 42.059 0.105 0.000 0.894 407 L HN -0.022 nan 8.230 nan 0.000 0.432 408 L N -1.357 119.788 121.223 -0.130 0.000 2.354 408 L HA 0.006 4.658 4.340 0.521 0.000 0.212 408 L C 1.506 178.338 176.870 -0.063 0.000 1.091 408 L CA 0.381 55.095 54.840 -0.211 0.000 0.828 408 L CB -0.176 41.712 42.059 -0.285 0.000 0.973 408 L HN 0.210 nan 8.230 nan 0.000 0.461 409 D N -0.765 119.637 120.400 0.004 0.000 2.423 409 D HA -0.012 4.941 4.640 0.521 0.000 0.212 409 D C 1.405 177.726 176.300 0.035 0.000 1.060 409 D CA 0.536 54.547 54.000 0.018 0.000 0.872 409 D CB 0.566 41.382 40.800 0.027 0.000 1.012 409 D HN 0.141 nan 8.370 nan 0.000 0.503 410 E N 0.741 120.984 120.200 0.072 0.000 2.538 410 E HA 0.019 4.682 4.350 0.521 0.000 0.207 410 E C -0.315 176.322 176.600 0.061 0.000 1.002 410 E CA -0.026 56.396 56.400 0.037 0.000 0.952 410 E CB 0.678 30.405 29.700 0.044 0.000 1.031 410 E HN 0.032 nan 8.360 nan 0.000 0.476 411 D N 0.387 120.852 120.400 0.110 0.000 2.772 411 D HA -0.163 4.789 4.640 0.521 0.000 0.233 411 D C -0.754 175.667 176.300 0.202 0.000 1.143 411 D CA 0.248 54.349 54.000 0.169 0.000 0.700 411 D CB -1.252 39.663 40.800 0.192 0.000 1.076 411 D HN -0.068 nan 8.370 nan 0.000 0.430 412 V N 0.345 120.349 119.914 0.151 0.000 2.649 412 V HA 0.591 5.023 4.120 0.521 0.000 0.292 412 V C 1.320 177.460 176.094 0.077 0.000 1.055 412 V CA -0.280 62.054 62.300 0.057 0.000 1.023 412 V CB 1.319 33.144 31.823 0.004 0.000 0.992 412 V HN 0.490 nan 8.190 nan 0.000 0.480 413 A N 3.917 126.700 122.820 -0.062 0.000 2.524 413 A HA 0.223 4.855 4.320 0.521 0.000 0.250 413 A C 0.389 178.044 177.584 0.119 0.000 1.078 413 A CA 0.133 52.162 52.037 -0.013 0.000 0.761 413 A CB -0.265 18.647 19.000 -0.148 0.000 1.012 413 A HN 0.856 nan 8.150 nan 0.000 0.500 414 F N 2.723 122.673 119.950 -0.000 0.000 2.383 414 F HA 0.510 5.354 4.527 0.528 0.000 0.287 414 F C 0.977 176.740 175.800 -0.061 0.000 1.069 414 F CA 0.528 58.556 58.000 0.047 0.000 1.402 414 F CB -0.022 39.059 39.000 0.135 0.000 1.116 414 F HN 0.638 nan 8.300 nan 0.000 0.549 415 A N 0.495 123.111 122.820 -0.341 0.000 2.401 415 A HA 0.549 5.181 4.320 0.521 0.000 0.310 415 A C -1.090 176.165 177.584 -0.547 0.000 1.075 415 A CA -0.556 51.134 52.037 -0.578 0.000 0.746 415 A CB 0.936 19.546 19.000 -0.651 0.000 1.277 415 A HN 0.290 nan 8.150 nan 0.000 0.425 416 E N 1.508 121.239 120.200 -0.781 0.000 2.145 416 E HA 0.555 5.218 4.350 0.521 0.000 0.270 416 E C -1.856 174.147 176.600 -0.996 0.000 0.906 416 E CA -0.550 55.245 56.400 -1.008 0.000 0.761 416 E CB 0.932 29.856 29.700 -1.293 0.000 1.116 416 E HN 0.451 nan 8.360 nan 0.000 0.408 417 L N 5.532 126.355 121.223 -0.666 0.000 2.295 417 L HA 0.370 5.023 4.340 0.521 0.000 0.281 417 L C -0.957 175.873 176.870 -0.067 0.000 1.018 417 L CA -0.353 54.288 54.840 -0.333 0.000 0.841 417 L CB 0.813 42.677 42.059 -0.325 0.000 1.218 417 L HN 0.538 nan 8.230 nan 0.000 0.424 418 F N 4.947 124.816 119.950 -0.134 0.000 2.361 418 F HA 0.532 5.379 4.527 0.533 0.000 0.364 418 F C 0.037 175.891 175.800 0.090 0.000 1.120 418 F CA -0.509 57.480 58.000 -0.018 0.000 1.102 418 F CB 0.928 39.960 39.000 0.054 0.000 1.183 418 F HN 0.386 nan 8.300 nan 0.000 0.476 419 M N 6.425 125.925 119.600 -0.167 0.000 2.180 419 M HA 0.313 5.106 4.480 0.521 0.000 0.350 419 M C -1.340 174.840 176.300 -0.200 0.000 1.125 419 M CA -0.308 54.801 55.300 -0.318 0.000 1.031 419 M CB 0.606 32.888 32.600 -0.531 0.000 1.623 419 M HN 0.500 nan 8.290 nan 0.000 0.451 420 D N 2.511 122.869 120.400 -0.071 0.000 2.252 420 D HA 0.408 5.360 4.640 0.521 0.000 0.245 420 D C 0.209 176.464 176.300 -0.074 0.000 1.009 420 D CA 0.078 54.089 54.000 0.018 0.000 0.870 420 D CB 2.305 43.186 40.800 0.135 0.000 1.251 420 D HN 0.741 nan 8.370 nan 0.000 0.460 421 T N -1.958 112.568 114.554 -0.047 0.000 3.166 421 T HA 0.069 4.732 4.350 0.521 0.000 0.182 421 T C 0.177 174.855 174.700 -0.037 0.000 0.810 421 T CA -0.276 61.784 62.100 -0.066 0.000 1.441 421 T CB 0.135 68.957 68.868 -0.077 0.000 2.201 421 T HN 0.411 nan 8.240 nan 0.000 0.414 422 E N 1.623 121.799 120.200 -0.040 0.000 2.360 422 E HA -0.210 4.453 4.350 0.521 0.000 0.238 422 E C 0.970 177.553 176.600 -0.028 0.000 1.186 422 E CA 0.971 57.350 56.400 -0.036 0.000 0.719 422 E CB -2.031 27.658 29.700 -0.019 0.000 1.236 422 E HN 1.374 nan 8.360 nan 0.000 0.386 423 G N -0.809 107.972 108.800 -0.032 0.000 2.194 423 G HA2 -0.312 3.960 3.960 0.521 0.000 0.236 423 G HA3 -0.312 3.960 3.960 0.521 0.000 0.236 423 G C 0.314 175.206 174.900 -0.014 0.000 0.987 423 G CA 0.698 45.786 45.100 -0.021 0.000 0.635 423 G HN 0.339 nan 8.290 nan 0.000 0.520 424 K N -0.858 119.531 120.400 -0.018 0.000 2.349 424 K HA 0.807 5.439 4.320 0.521 0.000 0.243 424 K C -0.633 175.949 176.600 -0.030 0.000 1.058 424 K CA -1.096 55.185 56.287 -0.009 0.000 0.871 424 K CB 1.800 34.301 32.500 0.002 0.000 1.337 424 K HN 0.059 nan 8.250 nan 0.000 0.469 425 I N 1.683 122.244 120.570 -0.015 0.000 2.621 425 I HA 0.156 4.639 4.170 0.521 0.000 0.276 425 I C -0.650 175.392 176.117 -0.124 0.000 1.118 425 I CA -0.391 60.855 61.300 -0.089 0.000 1.159 425 I CB 0.715 38.743 38.000 0.047 0.000 1.357 425 I HN 0.405 nan 8.210 nan 0.000 0.513 426 N N 5.308 123.899 118.700 -0.181 0.000 2.437 426 N HA 0.358 5.411 4.740 0.521 0.000 0.259 426 N C -1.524 173.894 175.510 -0.153 0.000 0.983 426 N CA -0.312 52.701 53.050 -0.062 0.000 0.937 426 N CB 1.038 39.545 38.487 0.034 0.000 1.122 426 N HN 0.137 nan 8.380 nan 0.000 0.499 427 F N 1.775 121.804 119.950 0.133 0.000 2.402 427 F HA 0.306 5.143 4.527 0.516 0.000 0.355 427 F C 0.205 176.099 175.800 0.156 0.000 1.123 427 F CA -0.776 57.298 58.000 0.123 0.000 1.021 427 F CB 1.224 40.257 39.000 0.055 0.000 1.160 427 F HN 0.238 nan 8.300 nan 0.000 0.451 428 D N 4.826 125.472 120.400 0.410 0.000 2.233 428 D HA 0.584 5.536 4.640 0.521 0.000 0.240 428 D C -0.761 175.743 176.300 0.341 0.000 1.074 428 D CA -0.120 54.116 54.000 0.393 0.000 0.838 428 D CB 1.741 42.798 40.800 0.429 0.000 1.124 428 D HN 0.429 nan 8.370 nan 0.000 0.475 429 L N -0.228 121.159 121.223 0.272 0.000 2.434 429 L HA 0.894 5.546 4.340 0.521 0.000 0.260 429 L C -1.709 175.252 176.870 0.152 0.000 0.983 429 L CA -1.072 53.742 54.840 -0.044 0.000 0.820 429 L CB 1.670 43.627 42.059 -0.170 0.000 1.361 429 L HN 0.386 nan 8.230 nan 0.000 0.410 430 W N 0.183 121.373 121.300 -0.183 0.000 3.256 430 W HA 0.600 5.596 4.660 0.559 0.000 0.324 430 W C -1.236 175.095 176.519 -0.313 0.000 1.196 430 W CA -0.863 56.348 57.345 -0.224 0.000 1.206 430 W CB 0.670 30.002 29.460 -0.214 0.000 1.385 430 W HN 0.733 nan 8.180 nan 0.000 0.522 431 D N 2.660 122.963 120.400 -0.162 0.000 2.358 431 D HA 0.041 4.993 4.640 0.521 0.000 0.258 431 D C 0.431 176.619 176.300 -0.187 0.000 1.223 431 D CA 0.186 53.920 54.000 -0.443 0.000 0.886 431 D CB 1.308 41.872 40.800 -0.393 0.000 1.120 431 D HN 0.675 nan 8.370 nan 0.000 0.482 432 L N 3.803 124.886 121.223 -0.234 0.000 2.313 432 L HA 0.050 4.702 4.340 0.521 0.000 0.214 432 L C 0.729 177.596 176.870 -0.005 0.000 1.119 432 L CA 0.486 55.330 54.840 0.006 0.000 0.809 432 L CB 0.021 42.076 42.059 -0.007 0.000 0.933 432 L HN 0.474 nan 8.230 nan 0.000 0.449 433 I N 1.107 121.649 120.570 -0.047 0.000 2.557 433 I HA 0.303 4.786 4.170 0.521 0.000 0.277 433 I C -2.470 173.647 176.117 0.000 0.000 1.106 433 I CA -2.315 58.908 61.300 -0.128 0.000 1.180 433 I CB 0.147 38.117 38.000 -0.049 0.000 1.392 433 I HN -0.186 nan 8.210 nan 0.000 0.506 434 P HA 0.283 nan 4.420 nan 0.000 0.278 434 P C 0.225 177.574 177.300 0.082 0.000 1.238 434 P CA -0.091 63.109 63.100 0.166 0.000 0.794 434 P CB 0.960 32.750 31.700 0.149 0.000 0.955 435 F N -1.075 118.971 119.950 0.160 0.000 2.656 435 F HA 0.089 4.927 4.527 0.519 0.000 0.291 435 F C 1.784 177.633 175.800 0.082 0.000 1.122 435 F CA 0.463 58.452 58.000 -0.020 0.000 1.427 435 F CB -0.138 38.596 39.000 -0.444 0.000 1.125 435 F HN 0.193 nan 8.300 nan 0.000 0.583 436 T N 1.872 116.548 114.554 0.204 0.000 2.903 436 T HA 0.203 4.866 4.350 0.521 0.000 0.314 436 T C 0.096 174.874 174.700 0.130 0.000 1.078 436 T CA -0.163 62.024 62.100 0.145 0.000 1.114 436 T CB 0.268 69.182 68.868 0.076 0.000 0.987 436 T HN -0.086 nan 8.240 nan 0.000 0.548 437 R N 2.062 122.624 120.500 0.104 0.000 2.561 437 R HA 0.569 5.221 4.340 0.521 0.000 0.297 437 R C 0.291 176.598 176.300 0.011 0.000 0.969 437 R CA -0.663 55.468 56.100 0.053 0.000 0.879 437 R CB 1.705 32.045 30.300 0.067 0.000 1.178 437 R HN 0.827 nan 8.270 nan 0.000 0.445 438 G N 0.149 108.917 108.800 -0.053 0.000 2.753 438 G HA2 0.610 4.883 3.960 0.521 0.000 0.285 438 G HA3 0.610 4.883 3.960 0.521 0.000 0.285 438 G C -0.865 173.978 174.900 -0.095 0.000 1.344 438 G CA -0.404 44.633 45.100 -0.105 0.000 1.050 438 G HN 0.550 nan 8.290 nan 0.000 0.532 439 S N -2.626 112.986 115.700 -0.145 0.000 2.588 439 S HA 0.690 5.473 4.470 0.521 0.000 0.275 439 S C -1.525 172.870 174.600 -0.341 0.000 1.130 439 S CA -0.839 57.204 58.200 -0.261 0.000 0.855 439 S CB 1.906 65.004 63.200 -0.171 0.000 1.116 439 S HN 1.508 nan 8.310 nan 0.000 0.472 440 V N 2.886 122.454 119.914 -0.576 0.000 2.532 440 V HA 0.616 5.048 4.120 0.521 0.000 0.294 440 V C -1.988 173.789 176.094 -0.527 0.000 1.036 440 V CA -0.081 61.971 62.300 -0.414 0.000 0.876 440 V CB 1.179 32.803 31.823 -0.333 0.000 1.012 440 V HN 1.094 nan 8.190 nan 0.000 0.432 441 H N 5.534 124.575 119.070 -0.048 0.000 2.961 441 H HA 0.529 5.400 4.556 0.526 0.000 0.371 441 H C -0.066 175.242 175.328 -0.033 0.000 1.190 441 H CA -0.075 55.928 56.048 -0.073 0.000 1.138 441 H CB 2.158 31.884 29.762 -0.060 0.000 1.816 441 H HN 0.893 nan 8.280 nan 0.000 0.551 442 I N -0.451 120.113 120.570 -0.011 0.000 2.836 442 I HA 0.094 4.576 4.170 0.521 0.000 0.285 442 I C 0.194 176.313 176.117 0.003 0.000 1.174 442 I CA -0.104 61.133 61.300 -0.106 0.000 1.405 442 I CB 0.832 38.501 38.000 -0.552 0.000 1.385 442 I HN 0.434 nan 8.210 nan 0.000 0.594 443 L N 3.286 124.537 121.223 0.047 0.000 2.817 443 L HA 0.265 4.917 4.340 0.521 0.000 0.248 443 L C 0.519 177.407 176.870 0.030 0.000 1.133 443 L CA 0.143 55.004 54.840 0.035 0.000 0.935 443 L CB 0.142 42.225 42.059 0.040 0.000 1.266 443 L HN 0.973 nan 8.230 nan 0.000 0.535 444 S N -2.550 113.189 115.700 0.065 0.000 2.656 444 S HA 0.241 5.024 4.470 0.521 0.000 0.273 444 S C 0.456 175.139 174.600 0.137 0.000 1.168 444 S CA 0.044 58.283 58.200 0.065 0.000 0.817 444 S CB 1.442 64.666 63.200 0.040 0.000 1.146 444 S HN 0.022 nan 8.310 nan 0.000 0.475 445 S N -0.746 115.001 115.700 0.078 0.000 2.503 445 S HA 0.134 4.917 4.470 0.521 0.000 0.217 445 S C 0.189 174.766 174.600 -0.039 0.000 0.999 445 S CA 0.614 58.866 58.200 0.087 0.000 0.914 445 S CB -0.581 62.634 63.200 0.025 0.000 0.782 445 S HN 0.794 nan 8.310 nan 0.000 0.520 446 D N 3.056 123.375 120.400 -0.135 0.000 2.339 446 D HA 0.337 5.289 4.640 0.521 0.000 0.241 446 D C -1.741 174.073 176.300 -0.810 0.000 1.183 446 D CA -2.445 51.355 54.000 -0.333 0.000 0.859 446 D CB 1.539 42.231 40.800 -0.180 0.000 1.067 446 D HN -0.003 nan 8.370 nan 0.000 0.484 447 P HA -0.149 nan 4.420 nan 0.000 0.216 447 P C 0.662 176.709 177.300 -2.089 0.000 1.150 447 P CA 1.127 62.729 63.100 -2.496 0.000 0.837 447 P CB -0.071 30.361 31.700 -2.114 0.000 0.786 448 Y N -1.351 118.435 120.300 -0.856 0.000 2.616 448 Y HA 0.009 4.872 4.550 0.521 0.000 0.296 448 Y C 2.096 177.828 175.900 -0.280 0.000 1.154 448 Y CA 0.146 57.954 58.100 -0.485 0.000 1.325 448 Y CB -1.095 37.250 38.460 -0.192 0.000 1.007 448 Y HN -0.091 nan 8.280 nan 0.000 0.542 449 L N -1.508 119.559 121.223 -0.259 0.000 2.240 449 L HA 0.012 4.664 4.340 0.521 0.000 0.211 449 L C 0.017 176.941 176.870 0.090 0.000 1.106 449 L CA 0.598 55.413 54.840 -0.042 0.000 0.793 449 L CB -0.587 41.436 42.059 -0.060 0.000 0.927 449 L HN 0.394 nan 8.230 nan 0.000 0.446 450 W N 0.764 122.112 121.300 0.080 0.000 6.486 450 W HA -0.278 4.696 4.660 0.525 0.000 0.411 450 W C 0.554 177.157 176.519 0.140 0.000 1.595 450 W CA 0.829 58.324 57.345 0.251 0.000 1.075 450 W CB -2.020 27.622 29.460 0.303 0.000 2.798 450 W HN 0.316 nan 8.180 nan 0.000 1.534 451 Q N 1.854 121.787 119.800 0.222 0.000 2.360 451 Q HA 0.477 5.129 4.340 0.521 0.000 0.254 451 Q C -0.165 175.908 176.000 0.121 0.000 0.975 451 Q CA -0.502 55.316 55.803 0.026 0.000 0.912 451 Q CB 0.340 29.093 28.738 0.024 0.000 1.212 451 Q HN 0.198 nan 8.270 nan 0.000 0.452 452 F N 0.929 120.952 119.950 0.121 0.000 2.643 452 F HA 0.843 5.670 4.527 0.501 0.000 0.314 452 F C -1.421 174.405 175.800 0.043 0.000 1.096 452 F CA -1.551 56.487 58.000 0.064 0.000 0.953 452 F CB 1.063 40.097 39.000 0.057 0.000 1.345 452 F HN 0.313 nan 8.300 nan 0.000 0.468 453 A N 2.255 125.273 122.820 0.330 0.000 2.399 453 A HA 0.418 5.050 4.320 0.521 0.000 0.327 453 A C -1.052 176.662 177.584 0.215 0.000 1.367 453 A CA -0.595 51.571 52.037 0.215 0.000 0.842 453 A CB -0.192 18.890 19.000 0.137 0.000 1.142 453 A HN 0.717 nan 8.150 nan 0.000 0.495 454 N N 2.461 121.336 118.700 0.292 0.000 2.462 454 N HA 0.207 5.260 4.740 0.521 0.000 0.242 454 N C -1.740 173.796 175.510 0.044 0.000 1.010 454 N CA 0.032 53.145 53.050 0.105 0.000 0.939 454 N CB 1.213 39.770 38.487 0.116 0.000 1.127 454 N HN 0.531 nan 8.380 nan 0.000 0.509 455 D N 4.731 125.104 120.400 -0.045 0.000 2.389 455 D HA 0.387 5.339 4.640 0.521 0.000 0.256 455 D C -2.086 174.097 176.300 -0.195 0.000 1.239 455 D CA -2.014 51.942 54.000 -0.074 0.000 0.925 455 D CB 1.831 42.618 40.800 -0.021 0.000 1.145 455 D HN 0.271 nan 8.370 nan 0.000 0.542 456 P HA 0.002 nan 4.420 nan 0.000 0.233 456 P C -0.344 176.583 177.300 -0.622 0.000 1.167 456 P CA 0.366 63.066 63.100 -0.667 0.000 0.770 456 P CB 0.122 30.973 31.700 -1.415 0.000 0.837 457 K N -2.059 118.115 120.400 -0.376 0.000 3.096 457 K HA -0.176 4.457 4.320 0.521 0.000 0.266 457 K C -0.579 175.940 176.600 -0.136 0.000 1.043 457 K CA 0.031 56.222 56.287 -0.161 0.000 0.758 457 K CB -2.235 30.221 32.500 -0.075 0.000 1.260 457 K HN 0.156 nan 8.250 nan 0.000 0.481 458 F N 0.736 120.618 119.950 -0.113 0.000 2.572 458 F HA 0.021 4.786 4.527 0.396 0.000 0.370 458 F C 1.519 177.132 175.800 -0.313 0.000 1.103 458 F CA 0.367 58.130 58.000 -0.394 0.000 1.286 458 F CB -0.119 38.489 39.000 -0.655 0.000 1.105 458 F HN 0.164 nan 8.300 nan 0.000 0.583 459 F N 0.260 120.227 119.950 0.028 0.000 3.006 459 F HA -0.295 4.561 4.527 0.548 0.000 0.289 459 F C 1.135 176.928 175.800 -0.011 0.000 0.772 459 F CA -0.062 57.906 58.000 -0.054 0.000 1.162 459 F CB -2.107 36.797 39.000 -0.160 0.000 1.382 459 F HN 0.466 nan 8.300 nan 0.000 0.406 460 L N -0.730 120.586 121.223 0.156 0.000 2.554 460 L HA 0.022 4.675 4.340 0.521 0.000 0.226 460 L C 1.357 178.270 176.870 0.070 0.000 1.137 460 L CA 0.668 55.574 54.840 0.111 0.000 0.863 460 L CB -0.146 41.968 42.059 0.091 0.000 0.985 460 L HN 0.251 nan 8.230 nan 0.000 0.451 461 N N 0.797 119.520 118.700 0.040 0.000 2.424 461 N HA 0.008 5.060 4.740 0.521 0.000 0.271 461 N C 0.944 176.385 175.510 -0.115 0.000 0.985 461 N CA -0.086 52.889 53.050 -0.126 0.000 0.921 461 N CB 1.724 40.107 38.487 -0.173 0.000 1.149 461 N HN 0.254 nan 8.380 nan 0.000 0.492 462 E N 3.430 123.525 120.200 -0.175 0.000 2.153 462 E HA -0.220 4.442 4.350 0.521 0.000 0.194 462 E C 1.111 177.689 176.600 -0.036 0.000 0.988 462 E CA 0.977 57.351 56.400 -0.042 0.000 0.811 462 E CB -0.357 29.391 29.700 0.079 0.000 0.746 462 E HN 0.604 nan 8.360 nan 0.000 0.466 463 F N 2.622 122.351 119.950 -0.369 0.000 2.171 463 F HA -0.147 4.691 4.527 0.519 0.000 0.300 463 F C 1.575 177.433 175.800 0.097 0.000 1.090 463 F CA 1.904 59.786 58.000 -0.197 0.000 1.293 463 F CB -0.014 38.580 39.000 -0.676 0.000 1.013 463 F HN -0.081 nan 8.300 nan 0.000 0.486 464 D N 0.147 120.674 120.400 0.212 0.000 2.144 464 D HA -0.172 4.780 4.640 0.521 0.000 0.199 464 D C 2.196 178.658 176.300 0.269 0.000 0.984 464 D CA 1.159 55.343 54.000 0.305 0.000 0.834 464 D CB -0.567 40.419 40.800 0.309 0.000 0.955 464 D HN 0.300 nan 8.370 nan 0.000 0.465 465 L N 0.429 121.738 121.223 0.142 0.000 2.044 465 L HA -0.035 4.617 4.340 0.521 0.000 0.205 465 L C 2.132 178.878 176.870 -0.206 0.000 1.075 465 L CA 1.292 55.978 54.840 -0.257 0.000 0.747 465 L CB -0.618 41.227 42.059 -0.356 0.000 0.903 465 L HN -0.007 nan 8.230 nan 0.000 0.435 466 L N -0.579 120.570 121.223 -0.124 0.000 2.042 466 L HA -0.164 4.489 4.340 0.521 0.000 0.210 466 L C 2.475 179.317 176.870 -0.047 0.000 1.076 466 L CA 1.431 56.213 54.840 -0.096 0.000 0.749 466 L CB -1.272 40.742 42.059 -0.075 0.000 0.893 466 L HN 0.487 nan 8.230 nan 0.000 0.432 467 G N -1.139 107.630 108.800 -0.051 0.000 2.421 467 G HA2 -0.338 3.934 3.960 0.521 0.000 0.216 467 G HA3 -0.338 3.934 3.960 0.521 0.000 0.216 467 G C 1.494 176.251 174.900 -0.238 0.000 1.171 467 G CA 0.718 45.778 45.100 -0.067 0.000 0.775 467 G HN 0.268 nan 8.290 nan 0.000 0.543 468 Q N 0.626 120.355 119.800 -0.119 0.000 2.079 468 Q HA 0.159 4.811 4.340 0.521 0.000 0.200 468 Q C 2.693 178.582 176.000 -0.185 0.000 0.974 468 Q CA 1.808 57.546 55.803 -0.107 0.000 0.840 468 Q CB -0.614 28.205 28.738 0.135 0.000 0.898 468 Q HN 0.369 nan 8.270 nan 0.000 0.430 469 A N 0.152 122.861 122.820 -0.185 0.000 1.902 469 A HA -0.066 4.566 4.320 0.521 0.000 0.217 469 A C 2.260 179.614 177.584 -0.385 0.000 1.181 469 A CA 1.911 53.847 52.037 -0.168 0.000 0.623 469 A CB -1.136 17.813 19.000 -0.085 0.000 0.818 469 A HN 0.491 nan 8.150 nan 0.000 0.443 470 A N -0.245 122.349 122.820 -0.376 0.000 1.898 470 A HA 0.214 4.847 4.320 0.521 0.000 0.216 470 A C 2.504 179.759 177.584 -0.547 0.000 1.181 470 A CA 1.954 53.718 52.037 -0.455 0.000 0.620 470 A CB -0.996 17.708 19.000 -0.494 0.000 0.819 470 A HN 1.036 nan 8.150 nan 0.000 0.442 471 A N -0.399 122.100 122.820 -0.535 0.000 1.902 471 A HA -0.072 4.560 4.320 0.521 0.000 0.217 471 A C 2.439 179.685 177.584 -0.565 0.000 1.181 471 A CA 2.103 53.822 52.037 -0.530 0.000 0.623 471 A CB -0.841 17.864 19.000 -0.492 0.000 0.818 471 A HN 0.456 nan 8.150 nan 0.000 0.443 472 S N -0.470 114.865 115.700 -0.608 0.000 2.368 472 S HA -0.159 4.623 4.470 0.521 0.000 0.225 472 S C 1.991 175.814 174.600 -1.296 0.000 1.030 472 S CA 1.574 59.302 58.200 -0.787 0.000 0.999 472 S CB -0.258 62.543 63.200 -0.665 0.000 0.844 472 S HN 0.692 nan 8.310 nan 0.000 0.459 473 K N 0.899 120.347 120.400 -1.587 0.000 2.063 473 K HA -0.124 4.508 4.320 0.521 0.000 0.208 473 K C 2.163 178.395 176.600 -0.613 0.000 1.048 473 K CA 1.197 56.706 56.287 -1.297 0.000 0.928 473 K CB -0.313 31.609 32.500 -0.963 0.000 0.713 473 K HN 0.226 nan 8.250 nan 0.000 0.442 474 L N 1.067 121.963 121.223 -0.544 0.000 2.012 474 L HA -0.138 4.514 4.340 0.521 0.000 0.210 474 L C 2.230 178.852 176.870 -0.414 0.000 1.073 474 L CA 2.197 56.801 54.840 -0.393 0.000 0.748 474 L CB -0.821 41.001 42.059 -0.394 0.000 0.891 474 L HN 0.251 nan 8.230 nan 0.000 0.431 475 A N -0.186 122.304 122.820 -0.550 0.000 1.883 475 A HA -0.287 4.346 4.320 0.521 0.000 0.217 475 A C 2.564 179.944 177.584 -0.341 0.000 1.186 475 A CA 2.047 53.658 52.037 -0.711 0.000 0.624 475 A CB -0.748 17.864 19.000 -0.647 0.000 0.822 475 A HN 0.578 nan 8.150 nan 0.000 0.444 476 R N -0.474 119.903 120.500 -0.205 0.000 2.073 476 R HA -0.172 4.481 4.340 0.521 0.000 0.234 476 R C 1.481 177.731 176.300 -0.083 0.000 1.134 476 R CA 1.911 57.998 56.100 -0.021 0.000 0.952 476 R CB -0.458 29.936 30.300 0.157 0.000 0.850 476 R HN 0.422 nan 8.270 nan 0.000 0.433 477 D N 0.861 121.186 120.400 -0.126 0.000 2.104 477 D HA -0.171 4.781 4.640 0.521 0.000 0.194 477 D C 2.051 178.286 176.300 -0.109 0.000 0.994 477 D CA 1.206 55.140 54.000 -0.111 0.000 0.830 477 D CB -0.237 40.499 40.800 -0.107 0.000 0.959 477 D HN 0.281 nan 8.370 nan 0.000 0.452 478 L N 0.632 121.785 121.223 -0.116 0.000 2.046 478 L HA -0.165 4.488 4.340 0.521 0.000 0.208 478 L C 2.457 179.335 176.870 0.013 0.000 1.077 478 L CA 1.204 56.010 54.840 -0.056 0.000 0.747 478 L CB -0.687 41.325 42.059 -0.078 0.000 0.896 478 L HN 0.052 nan 8.230 nan 0.000 0.432 479 T N -0.799 113.784 114.554 0.049 0.000 2.759 479 T HA -0.146 4.516 4.350 0.521 0.000 0.269 479 T C 1.458 176.088 174.700 -0.118 0.000 1.042 479 T CA 1.684 63.848 62.100 0.106 0.000 1.140 479 T CB -0.202 68.761 68.868 0.158 0.000 0.864 479 T HN 0.477 nan 8.240 nan 0.000 0.455 480 S N 0.172 115.677 115.700 -0.325 0.000 2.581 480 S HA 0.423 5.205 4.470 0.521 0.000 0.245 480 S C -0.244 174.247 174.600 -0.181 0.000 1.115 480 S CA -0.802 57.134 58.200 -0.441 0.000 1.093 480 S CB 0.204 62.877 63.200 -0.878 0.000 0.853 480 S HN 0.476 nan 8.310 nan 0.000 0.479 481 Q N 0.472 120.219 119.800 -0.089 0.000 2.377 481 Q HA 0.578 5.231 4.340 0.521 0.000 0.271 481 Q C 0.853 176.844 176.000 -0.015 0.000 1.077 481 Q CA 0.022 55.795 55.803 -0.049 0.000 0.820 481 Q CB 1.498 30.208 28.738 -0.046 0.000 1.347 481 Q HN 0.483 nan 8.270 nan 0.000 0.444 482 G N 1.695 110.487 108.800 -0.013 0.000 2.652 482 G HA2 -0.448 3.824 3.960 0.521 0.000 0.318 482 G HA3 -0.448 3.824 3.960 0.521 0.000 0.318 482 G C 0.768 175.673 174.900 0.008 0.000 1.295 482 G CA 0.807 45.904 45.100 -0.004 0.000 0.999 482 G HN 1.087 nan 8.290 nan 0.000 0.548 483 A N -1.606 121.228 122.820 0.024 0.000 2.067 483 A HA 0.142 4.774 4.320 0.521 0.000 0.219 483 A C 2.550 180.197 177.584 0.106 0.000 1.158 483 A CA 2.615 54.682 52.037 0.049 0.000 0.661 483 A CB -0.330 18.712 19.000 0.071 0.000 0.801 483 A HN 0.575 nan 8.150 nan 0.000 0.452 484 M N -0.479 119.192 119.600 0.118 0.000 2.175 484 M HA -0.109 4.683 4.480 0.521 0.000 0.264 484 M C 2.015 178.419 176.300 0.174 0.000 1.063 484 M CA 1.595 57.011 55.300 0.193 0.000 1.119 484 M CB -1.058 31.626 32.600 0.140 0.000 1.377 484 M HN 0.512 nan 8.290 nan 0.000 0.415 485 K N 0.553 120.999 120.400 0.076 0.000 2.127 485 K HA -0.243 4.390 4.320 0.521 0.000 0.208 485 K C 1.891 178.529 176.600 0.064 0.000 1.047 485 K CA 1.783 58.114 56.287 0.073 0.000 0.927 485 K CB -0.105 32.404 32.500 0.016 0.000 0.716 485 K HN 0.350 nan 8.250 nan 0.000 0.450 486 E N -0.644 119.503 120.200 -0.089 0.000 2.097 486 E HA -0.225 4.437 4.350 0.521 0.000 0.196 486 E C 1.160 177.540 176.600 -0.367 0.000 1.000 486 E CA 1.565 57.779 56.400 -0.310 0.000 0.804 486 E CB -0.027 29.303 29.700 -0.616 0.000 0.740 486 E HN 0.453 nan 8.360 nan 0.000 0.454 487 Y N -1.321 119.040 120.300 0.102 0.000 2.466 487 Y HA 0.124 4.986 4.550 0.521 0.000 0.272 487 Y C 0.269 176.247 175.900 0.131 0.000 1.169 487 Y CA -0.421 57.733 58.100 0.090 0.000 1.285 487 Y CB 0.047 38.549 38.460 0.070 0.000 1.078 487 Y HN -0.002 nan 8.280 nan 0.000 0.523 488 F N 1.534 121.552 119.950 0.114 0.000 2.506 488 F HA 0.434 5.273 4.527 0.519 0.000 0.371 488 F C 0.614 176.451 175.800 0.062 0.000 1.078 488 F CA -1.056 56.998 58.000 0.090 0.000 1.195 488 F CB 0.713 39.757 39.000 0.074 0.000 1.099 488 F HN -0.053 nan 8.300 nan 0.000 0.548 489 A N 4.990 127.493 122.820 -0.529 0.000 2.676 489 A HA 0.616 5.248 4.320 0.521 0.000 0.297 489 A C 0.430 177.633 177.584 -0.635 0.000 1.132 489 A CA 0.127 51.888 52.037 -0.459 0.000 0.972 489 A CB -0.848 18.041 19.000 -0.185 0.000 1.197 489 A HN 1.759 nan 8.150 nan 0.000 0.524 490 G N -0.146 107.842 108.800 -1.354 0.000 3.067 490 G HA2 -0.004 4.268 3.960 0.521 0.000 0.686 490 G HA3 -0.004 4.268 3.960 0.521 0.000 0.686 490 G C -0.618 174.068 174.900 -0.357 0.000 1.119 490 G CA -0.261 44.388 45.100 -0.753 0.000 0.790 490 G HN 0.610 nan 8.290 nan 0.000 0.605 491 E N 0.662 120.885 120.200 0.038 0.000 2.338 491 E HA 0.524 5.187 4.350 0.521 0.000 0.272 491 E C 1.601 178.201 176.600 -0.001 0.000 1.029 491 E CA 0.168 56.672 56.400 0.173 0.000 0.872 491 E CB 0.566 30.442 29.700 0.293 0.000 1.015 491 E HN 0.737 nan 8.360 nan 0.000 0.417 492 T N 1.887 116.441 114.554 -0.000 0.000 3.000 492 T HA 0.166 4.829 4.350 0.521 0.000 0.248 492 T C 0.229 174.910 174.700 -0.031 0.000 1.034 492 T CA -0.323 61.735 62.100 -0.070 0.000 1.060 492 T CB 0.329 69.170 68.868 -0.045 0.000 0.983 492 T HN 0.264 nan 8.240 nan 0.000 0.482 493 L N 1.575 122.827 121.223 0.049 0.000 2.516 493 L HA 0.530 5.182 4.340 0.521 0.000 0.267 493 L C -2.579 174.366 176.870 0.125 0.000 0.957 493 L CA -1.970 52.926 54.840 0.093 0.000 0.860 493 L CB 2.380 44.520 42.059 0.135 0.000 1.265 493 L HN -0.266 nan 8.230 nan 0.000 0.403 494 P HA 0.095 nan 4.420 nan 0.000 0.223 494 P C 0.942 178.202 177.300 -0.066 0.000 1.151 494 P CA 1.281 64.321 63.100 -0.101 0.000 0.787 494 P CB 0.173 31.450 31.700 -0.705 0.000 0.788 495 G N -0.180 108.584 108.800 -0.059 0.000 2.591 495 G HA2 -0.359 3.913 3.960 0.521 0.000 0.298 495 G HA3 -0.359 3.913 3.960 0.521 0.000 0.298 495 G C 0.555 175.455 174.900 0.000 0.000 1.195 495 G CA 0.535 45.579 45.100 -0.095 0.000 0.989 495 G HN 0.119 nan 8.290 nan 0.000 0.551 496 Y N 2.382 122.676 120.300 -0.009 0.000 2.616 496 Y HA 0.080 4.943 4.550 0.522 0.000 0.296 496 Y C 2.717 178.598 175.900 -0.032 0.000 1.154 496 Y CA 0.872 58.960 58.100 -0.020 0.000 1.325 496 Y CB -0.474 37.985 38.460 -0.002 0.000 1.007 496 Y HN 0.341 nan 8.280 nan 0.000 0.542 497 N N 0.150 118.908 118.700 0.096 0.000 2.512 497 N HA -0.011 5.042 4.740 0.521 0.000 0.183 497 N C -0.113 175.380 175.510 -0.028 0.000 1.073 497 N CA 0.540 53.642 53.050 0.088 0.000 0.911 497 N CB 0.330 38.935 38.487 0.196 0.000 0.964 497 N HN 0.236 nan 8.380 nan 0.000 0.447 498 L N 0.402 121.509 121.223 -0.193 0.000 2.505 498 L HA 0.259 4.911 4.340 0.521 0.000 0.266 498 L C -0.566 176.140 176.870 -0.273 0.000 0.954 498 L CA -0.972 53.647 54.840 -0.369 0.000 0.852 498 L CB 1.765 43.288 42.059 -0.893 0.000 1.282 498 L HN -0.116 nan 8.230 nan 0.000 0.403 499 V N 2.679 122.471 119.914 -0.203 0.000 2.814 499 V HA 0.047 4.479 4.120 0.521 0.000 0.307 499 V C 1.104 177.119 176.094 -0.132 0.000 1.089 499 V CA -0.111 62.116 62.300 -0.121 0.000 1.212 499 V CB 0.257 32.024 31.823 -0.093 0.000 0.912 499 V HN 0.930 nan 8.190 nan 0.000 0.497 500 Q N 3.038 122.812 119.800 -0.043 0.000 2.291 500 Q HA -0.117 4.535 4.340 0.521 0.000 0.205 500 Q C 1.662 177.668 176.000 0.010 0.000 0.970 500 Q CA 1.673 57.476 55.803 -0.001 0.000 0.876 500 Q CB -0.520 28.247 28.738 0.048 0.000 0.935 500 Q HN 1.097 nan 8.270 nan 0.000 0.455 501 N N -0.031 118.665 118.700 -0.007 0.000 2.314 501 N HA 0.093 5.145 4.740 0.521 0.000 0.200 501 N C -0.181 175.334 175.510 0.008 0.000 1.135 501 N CA 0.235 53.293 53.050 0.013 0.000 0.835 501 N CB -0.099 38.392 38.487 0.007 0.000 0.989 501 N HN -0.055 nan 8.380 nan 0.000 0.478 502 A N 1.273 124.060 122.820 -0.055 0.000 2.608 502 A HA 0.175 4.807 4.320 0.521 0.000 0.239 502 A C 0.991 178.618 177.584 0.072 0.000 1.018 502 A CA 0.466 52.425 52.037 -0.130 0.000 0.766 502 A CB -0.468 18.192 19.000 -0.567 0.000 0.928 502 A HN 0.591 nan 8.150 nan 0.000 0.512 503 T N 0.825 115.409 114.554 0.050 0.000 2.788 503 T HA 0.364 5.026 4.350 0.521 0.000 0.280 503 T C 1.189 175.994 174.700 0.175 0.000 0.984 503 T CA -0.166 61.992 62.100 0.097 0.000 0.972 503 T CB 0.415 69.305 68.868 0.037 0.000 1.039 503 T HN 0.511 nan 8.240 nan 0.000 0.530 504 L N 0.842 122.112 121.223 0.079 0.000 2.083 504 L HA -0.003 4.649 4.340 0.521 0.000 0.209 504 L C 2.914 179.792 176.870 0.013 0.000 1.083 504 L CA 1.932 56.778 54.840 0.010 0.000 0.752 504 L CB -1.221 40.693 42.059 -0.243 0.000 0.899 504 L HN 0.914 nan 8.230 nan 0.000 0.433 505 S N -1.309 114.380 115.700 -0.018 0.000 2.368 505 S HA -0.235 4.548 4.470 0.521 0.000 0.225 505 S C 1.921 176.527 174.600 0.010 0.000 1.030 505 S CA 1.539 59.731 58.200 -0.015 0.000 0.999 505 S CB -0.086 63.107 63.200 -0.011 0.000 0.844 505 S HN 0.623 nan 8.310 nan 0.000 0.459 506 Q N -1.146 118.658 119.800 0.007 0.000 2.123 506 Q HA -0.080 4.572 4.340 0.521 0.000 0.199 506 Q C 1.863 177.844 176.000 -0.032 0.000 0.966 506 Q CA 1.452 57.230 55.803 -0.042 0.000 0.845 506 Q CB -0.221 28.448 28.738 -0.115 0.000 0.907 506 Q HN 0.682 nan 8.270 nan 0.000 0.439 507 W N 0.593 121.874 121.300 -0.031 0.000 2.363 507 W HA -0.157 4.812 4.660 0.514 0.000 0.296 507 W C 2.572 179.084 176.519 -0.012 0.000 1.212 507 W CA 1.130 58.467 57.345 -0.013 0.000 1.260 507 W CB 0.011 29.427 29.460 -0.073 0.000 1.131 507 W HN 0.034 nan 8.180 nan 0.000 0.530 508 S N 0.177 115.966 115.700 0.147 0.000 2.359 508 S HA -0.219 4.563 4.470 0.521 0.000 0.224 508 S C 1.238 175.816 174.600 -0.037 0.000 1.035 508 S CA 1.746 59.932 58.200 -0.024 0.000 1.018 508 S CB -0.590 62.562 63.200 -0.081 0.000 0.876 508 S HN 0.239 nan 8.310 nan 0.000 0.448 509 D N 0.030 120.437 120.400 0.011 0.000 2.117 509 D HA -0.102 4.851 4.640 0.521 0.000 0.197 509 D C 1.639 177.964 176.300 0.042 0.000 0.987 509 D CA 1.015 55.022 54.000 0.012 0.000 0.829 509 D CB -0.421 40.389 40.800 0.017 0.000 0.961 509 D HN 0.491 nan 8.370 nan 0.000 0.460 510 Y N 1.488 121.771 120.300 -0.030 0.000 2.145 510 Y HA -0.216 4.651 4.550 0.527 0.000 0.286 510 Y C 2.280 178.228 175.900 0.080 0.000 1.145 510 Y CA 1.210 59.303 58.100 -0.013 0.000 1.148 510 Y CB -0.399 37.989 38.460 -0.120 0.000 0.981 510 Y HN -0.217 nan 8.280 nan 0.000 0.507 511 V N 0.011 120.037 119.914 0.186 0.000 2.343 511 V HA -0.299 4.134 4.120 0.521 0.000 0.247 511 V C 2.378 178.535 176.094 0.106 0.000 1.051 511 V CA 1.778 64.163 62.300 0.140 0.000 1.036 511 V CB -0.825 31.046 31.823 0.080 0.000 0.654 511 V HN 0.420 nan 8.190 nan 0.000 0.451 512 L N -0.344 120.847 121.223 -0.053 0.000 2.079 512 L HA -0.186 4.466 4.340 0.521 0.000 0.210 512 L C 2.450 179.512 176.870 0.320 0.000 1.081 512 L CA 1.920 56.811 54.840 0.084 0.000 0.752 512 L CB -0.643 41.396 42.059 -0.034 0.000 0.896 512 L HN 0.324 nan 8.230 nan 0.000 0.433 513 Q N -0.918 118.939 119.800 0.094 0.000 2.269 513 Q HA 0.097 4.750 4.340 0.521 0.000 0.201 513 Q C 0.359 176.311 176.000 -0.079 0.000 0.946 513 Q CA 0.623 56.431 55.803 0.009 0.000 0.877 513 Q CB 0.094 28.779 28.738 -0.089 0.000 0.963 513 Q HN 0.565 nan 8.270 nan 0.000 0.472 514 N N 0.512 119.123 118.700 -0.148 0.000 2.818 514 N HA 0.195 5.248 4.740 0.521 0.000 0.301 514 N C -0.895 174.636 175.510 0.035 0.000 1.821 514 N CA -0.072 52.858 53.050 -0.200 0.000 0.930 514 N CB 0.431 38.573 38.487 -0.575 0.000 1.263 514 N HN 0.038 nan 8.380 nan 0.000 0.487 515 F N -0.262 119.676 119.950 -0.019 0.000 2.631 515 F HA 0.744 5.577 4.527 0.510 0.000 0.328 515 F C -0.283 175.447 175.800 -0.116 0.000 1.067 515 F CA -1.354 56.632 58.000 -0.024 0.000 0.969 515 F CB 1.222 40.261 39.000 0.065 0.000 1.332 515 F HN -0.075 nan 8.300 nan 0.000 0.490 516 R N -0.205 120.161 120.500 -0.225 0.000 2.799 516 R HA 0.724 5.376 4.340 0.521 0.000 0.270 516 R C -3.386 172.644 176.300 -0.451 0.000 1.010 516 R CA -2.227 53.631 56.100 -0.403 0.000 0.916 516 R CB 1.395 31.523 30.300 -0.286 0.000 1.228 516 R HN 0.333 nan 8.270 nan 0.000 0.469 517 P HA 0.079 nan 4.420 nan 0.000 0.269 517 P C -0.531 176.137 177.300 -1.054 0.000 1.209 517 P CA -0.257 62.501 63.100 -0.570 0.000 0.776 517 P CB 0.645 32.360 31.700 0.025 0.000 0.876 518 N N 1.857 120.126 118.700 -0.718 0.000 2.494 518 N HA -0.071 4.982 4.740 0.521 0.000 0.182 518 N C -0.204 175.086 175.510 -0.367 0.000 1.076 518 N CA 0.245 52.843 53.050 -0.753 0.000 0.908 518 N CB -0.204 37.879 38.487 -0.674 0.000 0.967 518 N HN 0.392 nan 8.380 nan 0.000 0.449 519 W N -0.578 120.740 121.300 0.030 0.000 4.706 519 W HA -0.220 4.480 4.660 0.066 0.000 0.366 519 W C -0.511 175.871 176.519 -0.229 0.000 1.382 519 W CA 0.281 57.594 57.345 -0.054 0.000 0.832 519 W CB -2.906 26.473 29.460 -0.135 0.000 2.504 519 W HN 0.410 nan 8.180 nan 0.000 1.403 520 H N -0.902 118.212 119.070 0.073 0.000 2.562 520 H HA 0.545 5.407 4.556 0.510 0.000 0.249 520 H C 0.965 176.341 175.328 0.081 0.000 1.195 520 H CA 0.210 56.287 56.048 0.048 0.000 0.938 520 H CB 0.120 29.837 29.762 -0.075 0.000 1.891 520 H HN 0.148 nan 8.280 nan 0.000 0.595 521 A N 1.203 124.099 122.820 0.126 0.000 2.546 521 A HA 0.408 5.041 4.320 0.521 0.000 0.243 521 A C 0.523 178.158 177.584 0.085 0.000 1.063 521 A CA 0.263 52.350 52.037 0.084 0.000 0.757 521 A CB -0.184 18.830 19.000 0.024 0.000 0.991 521 A HN 0.320 nan 8.150 nan 0.000 0.503 522 V N -0.407 119.550 119.914 0.071 0.000 3.156 522 V HA 0.854 5.287 4.120 0.521 0.000 0.311 522 V C 0.515 176.580 176.094 -0.048 0.000 1.208 522 V CA 0.026 62.353 62.300 0.045 0.000 1.063 522 V CB 0.851 32.755 31.823 0.135 0.000 1.098 522 V HN 2.411 nan 8.190 nan 0.000 0.452 523 S N -1.069 114.559 115.700 -0.120 0.000 3.635 523 S HA -0.207 4.576 4.470 0.521 0.000 0.328 523 S C 0.950 175.467 174.600 -0.137 0.000 1.135 523 S CA 1.139 59.237 58.200 -0.170 0.000 0.942 523 S CB -2.750 60.341 63.200 -0.181 0.000 0.930 523 S HN 2.594 nan 8.310 nan 0.000 0.512 524 S N -1.776 113.839 115.700 -0.142 0.000 2.528 524 S HA 0.367 5.150 4.470 0.521 0.000 0.219 524 S C 0.754 175.270 174.600 -0.139 0.000 0.985 524 S CA 0.389 58.504 58.200 -0.142 0.000 0.914 524 S CB 0.018 63.119 63.200 -0.165 0.000 0.776 524 S HN 1.030 nan 8.310 nan 0.000 0.526 525 C N 2.824 122.032 119.300 -0.153 0.000 3.465 525 C HA 0.508 5.280 4.460 0.521 0.000 0.193 525 C C 0.401 175.282 174.990 -0.182 0.000 1.515 525 C CA -1.100 57.830 59.018 -0.145 0.000 1.340 525 C CB -1.214 26.439 27.740 -0.146 0.000 1.928 525 C HN 0.412 nan 8.230 nan 0.000 0.510 526 S N 1.949 117.549 115.700 -0.166 0.000 2.563 526 S HA 0.023 4.805 4.470 0.521 0.000 0.294 526 S C 0.130 174.583 174.600 -0.244 0.000 1.279 526 S CA 0.461 58.519 58.200 -0.237 0.000 1.069 526 S CB 0.234 63.318 63.200 -0.194 0.000 0.828 526 S HN 0.766 nan 8.310 nan 0.000 0.497 527 M N 6.866 126.225 119.600 -0.402 0.000 2.319 527 M HA 0.389 5.181 4.480 0.521 0.000 0.343 527 M C -0.603 175.488 176.300 -0.349 0.000 1.364 527 M CA 0.054 55.109 55.300 -0.409 0.000 1.292 527 M CB -0.621 31.603 32.600 -0.626 0.000 1.432 527 M HN 0.790 nan 8.290 nan 0.000 0.448 528 M N 2.231 121.776 119.600 -0.092 0.000 2.880 528 M HA 0.511 5.304 4.480 0.521 0.000 0.269 528 M C -0.578 175.854 176.300 0.220 0.000 1.248 528 M CA -0.988 54.350 55.300 0.063 0.000 0.821 528 M CB 1.356 34.007 32.600 0.085 0.000 1.650 528 M HN 0.455 nan 8.290 nan 0.000 0.479 529 S N 0.297 116.127 115.700 0.217 0.000 2.566 529 S HA 0.149 4.932 4.470 0.521 0.000 0.280 529 S C 0.770 175.396 174.600 0.044 0.000 1.343 529 S CA 0.224 58.520 58.200 0.160 0.000 1.036 529 S CB 1.074 64.334 63.200 0.100 0.000 0.866 529 S HN 0.956 nan 8.310 nan 0.000 0.526 530 R N 1.069 121.406 120.500 -0.272 0.000 2.105 530 R HA -0.137 4.515 4.340 0.521 0.000 0.239 530 R C 1.668 177.858 176.300 -0.184 0.000 1.135 530 R CA 1.995 57.772 56.100 -0.538 0.000 0.967 530 R CB -0.409 29.325 30.300 -0.944 0.000 0.861 530 R HN 0.838 nan 8.270 nan 0.000 0.442 531 E N 0.349 120.484 120.200 -0.108 0.000 2.204 531 E HA -0.135 4.527 4.350 0.521 0.000 0.194 531 E C 1.573 178.180 176.600 0.011 0.000 0.989 531 E CA 0.841 57.211 56.400 -0.050 0.000 0.824 531 E CB -0.056 29.618 29.700 -0.043 0.000 0.756 531 E HN 0.378 nan 8.360 nan 0.000 0.477 532 L N -0.741 120.524 121.223 0.069 0.000 2.591 532 L HA 0.196 4.849 4.340 0.521 0.000 0.228 532 L C 0.970 178.023 176.870 0.305 0.000 1.133 532 L CA 0.407 55.344 54.840 0.161 0.000 0.880 532 L CB 0.047 42.227 42.059 0.201 0.000 1.033 532 L HN 0.389 nan 8.230 nan 0.000 0.450 533 G N -0.378 108.564 108.800 0.237 0.000 2.135 533 G HA2 -0.183 4.090 3.960 0.521 0.000 0.183 533 G HA3 -0.183 4.090 3.960 0.521 0.000 0.183 533 G C 0.487 175.518 174.900 0.218 0.000 1.004 533 G CA -0.344 44.959 45.100 0.338 0.000 0.677 533 G HN 0.464 nan 8.290 nan 0.000 0.512 534 G N -1.165 107.744 108.800 0.182 0.000 2.594 534 G HA2 0.538 4.811 3.960 0.521 0.000 0.243 534 G HA3 0.538 4.811 3.960 0.521 0.000 0.243 534 G C 0.983 176.043 174.900 0.267 0.000 1.229 534 G CA 0.415 45.645 45.100 0.217 0.000 0.843 534 G HN 0.790 nan 8.290 nan 0.000 0.578 535 V N 0.749 120.752 119.914 0.150 0.000 3.212 535 V HA 0.120 4.552 4.120 0.521 0.000 0.244 535 V C 0.893 176.946 176.094 -0.068 0.000 1.151 535 V CA 1.112 63.467 62.300 0.091 0.000 1.119 535 V CB 0.221 32.023 31.823 -0.035 0.000 0.838 535 V HN 0.716 nan 8.190 nan 0.000 0.470 536 V N -1.057 118.707 119.914 -0.250 0.000 2.914 536 V HA 0.747 5.179 4.120 0.521 0.000 0.314 536 V C -0.746 174.963 176.094 -0.642 0.000 1.084 536 V CA -0.917 61.073 62.300 -0.515 0.000 0.963 536 V CB 1.998 33.629 31.823 -0.321 0.000 1.025 536 V HN 0.363 nan 8.190 nan 0.000 0.432 537 D N 2.965 122.927 120.400 -0.731 0.000 2.507 537 D HA 0.530 5.483 4.640 0.521 0.000 0.280 537 D C 1.191 177.413 176.300 -0.131 0.000 1.219 537 D CA -0.001 53.786 54.000 -0.356 0.000 1.085 537 D CB 0.934 41.588 40.800 -0.243 0.000 1.134 537 D HN 0.828 nan 8.370 nan 0.000 0.583 538 A N -1.252 121.599 122.820 0.053 0.000 2.172 538 A HA 0.013 4.645 4.320 0.521 0.000 0.216 538 A C 1.594 179.394 177.584 0.360 0.000 1.154 538 A CA 1.707 53.883 52.037 0.231 0.000 0.701 538 A CB -1.062 18.168 19.000 0.382 0.000 0.789 538 A HN 0.670 nan 8.150 nan 0.000 0.465 539 T N -5.308 109.346 114.554 0.167 0.000 3.134 539 T HA 0.523 5.185 4.350 0.521 0.000 0.260 539 T C 0.803 175.543 174.700 0.068 0.000 1.027 539 T CA 0.860 63.056 62.100 0.160 0.000 0.913 539 T CB 0.079 69.014 68.868 0.112 0.000 1.046 539 T HN 1.685 nan 8.240 nan 0.000 0.553 540 A N 0.607 123.414 122.820 -0.021 0.000 2.952 540 A HA -0.188 4.444 4.320 0.521 0.000 0.252 540 A C 0.364 177.875 177.584 -0.121 0.000 1.323 540 A CA 0.979 52.950 52.037 -0.110 0.000 0.957 540 A CB -2.491 16.467 19.000 -0.069 0.000 1.130 540 A HN 0.640 nan 8.150 nan 0.000 0.799 541 K N 0.216 120.539 120.400 -0.129 0.000 2.298 541 K HA 0.446 5.078 4.320 0.521 0.000 0.280 541 K C 0.232 176.689 176.600 -0.238 0.000 1.032 541 K CA -0.294 55.923 56.287 -0.118 0.000 0.958 541 K CB 1.352 33.812 32.500 -0.067 0.000 0.978 541 K HN 0.206 nan 8.250 nan 0.000 0.472 542 V N 4.839 124.673 119.914 -0.134 0.000 2.521 542 V HA -0.057 4.375 4.120 0.521 0.000 0.286 542 V C -0.095 175.937 176.094 -0.104 0.000 1.034 542 V CA -0.129 62.090 62.300 -0.135 0.000 1.045 542 V CB -0.479 31.335 31.823 -0.015 0.000 0.974 542 V HN 0.493 nan 8.190 nan 0.000 0.480 543 Y N 3.281 123.577 120.300 -0.007 0.000 2.811 543 Y HA 0.324 5.186 4.550 0.520 0.000 0.334 543 Y C 1.590 177.481 175.900 -0.015 0.000 1.247 543 Y CA 1.361 59.457 58.100 -0.007 0.000 1.526 543 Y CB 0.006 38.457 38.460 -0.016 0.000 1.284 543 Y HN 0.942 nan 8.280 nan 0.000 0.586 544 G N 1.461 110.366 108.800 0.175 0.000 2.179 544 G HA2 -0.267 4.006 3.960 0.521 0.000 0.260 544 G HA3 -0.267 4.006 3.960 0.521 0.000 0.260 544 G C 0.190 175.109 174.900 0.032 0.000 0.977 544 G CA 0.368 45.514 45.100 0.076 0.000 0.641 544 G HN 1.022 nan 8.290 nan 0.000 0.533 545 T N -2.688 111.895 114.554 0.048 0.000 2.926 545 T HA 0.774 5.437 4.350 0.521 0.000 0.289 545 T C -0.723 174.029 174.700 0.086 0.000 1.054 545 T CA -0.709 61.425 62.100 0.056 0.000 1.015 545 T CB 2.724 71.650 68.868 0.097 0.000 1.167 545 T HN 0.154 nan 8.240 nan 0.000 0.526 546 Q N -0.202 119.670 119.800 0.119 0.000 2.365 546 Q HA 0.570 5.222 4.340 0.521 0.000 0.269 546 Q C 0.849 176.932 176.000 0.138 0.000 1.061 546 Q CA -0.021 55.848 55.803 0.111 0.000 0.816 546 Q CB 1.536 30.330 28.738 0.093 0.000 1.325 546 Q HN 1.442 nan 8.270 nan 0.000 0.446 547 G N 1.220 110.092 108.800 0.120 0.000 2.153 547 G HA2 -0.266 4.006 3.960 0.521 0.000 0.252 547 G HA3 -0.266 4.006 3.960 0.521 0.000 0.252 547 G C -0.528 174.445 174.900 0.122 0.000 0.994 547 G CA 0.628 45.799 45.100 0.119 0.000 0.698 547 G HN 0.385 nan 8.290 nan 0.000 0.521 548 L N -0.082 121.216 121.223 0.126 0.000 2.438 548 L HA 0.863 5.516 4.340 0.521 0.000 0.270 548 L C -0.231 176.680 176.870 0.068 0.000 0.972 548 L CA -1.109 53.799 54.840 0.112 0.000 0.831 548 L CB 1.361 43.534 42.059 0.189 0.000 1.273 548 L HN 0.219 nan 8.230 nan 0.000 0.405 549 R N 3.540 124.068 120.500 0.045 0.000 2.795 549 R HA 0.820 5.472 4.340 0.521 0.000 0.275 549 R C -1.581 174.702 176.300 -0.028 0.000 0.981 549 R CA -1.104 54.995 56.100 -0.002 0.000 0.917 549 R CB 2.533 32.836 30.300 0.004 0.000 1.202 549 R HN 0.394 nan 8.270 nan 0.000 0.469 550 V N 3.422 123.292 119.914 -0.074 0.000 2.409 550 V HA 0.302 4.734 4.120 0.521 0.000 0.291 550 V C 0.776 176.789 176.094 -0.134 0.000 1.020 550 V CA -0.425 61.815 62.300 -0.099 0.000 0.848 550 V CB 1.420 33.173 31.823 -0.117 0.000 0.990 550 V HN 0.793 nan 8.190 nan 0.000 0.430 551 I N 0.048 120.538 120.570 -0.133 0.000 4.081 551 I HA 0.421 4.903 4.170 0.521 0.000 0.333 551 I C 0.342 176.333 176.117 -0.210 0.000 1.413 551 I CA -0.323 60.888 61.300 -0.148 0.000 1.110 551 I CB 0.447 38.381 38.000 -0.110 0.000 1.082 551 I HN 0.604 nan 8.210 nan 0.000 0.402 552 D N 0.941 121.195 120.400 -0.243 0.000 2.560 552 D HA 0.273 5.226 4.640 0.521 0.000 0.277 552 D C 1.566 177.564 176.300 -0.503 0.000 1.194 552 D CA -0.076 53.732 54.000 -0.319 0.000 1.092 552 D CB -0.065 40.608 40.800 -0.212 0.000 1.169 552 D HN -0.070 nan 8.370 nan 0.000 0.607 553 G N -1.185 107.275 108.800 -0.568 0.000 2.653 553 G HA2 -0.142 4.130 3.960 0.521 0.000 0.212 553 G HA3 -0.142 4.130 3.960 0.521 0.000 0.212 553 G C 1.099 175.811 174.900 -0.314 0.000 1.138 553 G CA 0.642 45.349 45.100 -0.655 0.000 0.782 553 G HN 0.354 nan 8.290 nan 0.000 0.535 554 S N 0.297 115.835 115.700 -0.270 0.000 2.428 554 S HA -0.064 4.718 4.470 0.521 0.000 0.230 554 S C 2.195 176.637 174.600 -0.263 0.000 1.014 554 S CA 0.962 59.032 58.200 -0.217 0.000 0.957 554 S CB -0.116 62.967 63.200 -0.194 0.000 0.784 554 S HN 0.723 nan 8.310 nan 0.000 0.499 555 I N -0.500 119.864 120.570 -0.344 0.000 2.852 555 I HA 0.198 4.680 4.170 0.521 0.000 0.264 555 I C -2.354 173.438 176.117 -0.542 0.000 1.179 555 I CA -0.696 60.359 61.300 -0.409 0.000 1.480 555 I CB -1.318 36.434 38.000 -0.413 0.000 1.111 555 I HN -0.074 nan 8.210 nan 0.000 0.441 556 P HA 0.033 nan 4.420 nan 0.000 0.261 556 P C -1.977 174.923 177.300 -0.666 0.000 1.183 556 P CA -0.612 62.056 63.100 -0.721 0.000 0.761 556 P CB 0.057 31.681 31.700 -0.125 0.000 0.785 557 P HA -0.050 nan 4.420 nan 0.000 0.229 557 P C 0.178 177.093 177.300 -0.643 0.000 1.160 557 P CA 1.152 63.706 63.100 -0.910 0.000 0.777 557 P CB 0.255 31.128 31.700 -1.379 0.000 0.814 558 T N -4.463 109.940 114.554 -0.251 0.000 2.883 558 T HA 0.411 5.074 4.350 0.521 0.000 0.296 558 T C -0.154 174.787 174.700 0.401 0.000 1.117 558 T CA -0.852 61.395 62.100 0.246 0.000 1.006 558 T CB 1.692 71.034 68.868 0.790 0.000 1.191 558 T HN -0.277 nan 8.240 nan 0.000 0.508 559 Q N 0.336 120.408 119.800 0.453 0.000 2.396 559 Q HA 0.564 5.216 4.340 0.521 0.000 0.221 559 Q C -0.000 176.239 176.000 0.398 0.000 1.025 559 Q CA -0.404 55.602 55.803 0.339 0.000 0.946 559 Q CB 1.437 30.303 28.738 0.215 0.000 1.224 559 Q HN 0.821 nan 8.270 nan 0.000 0.539 560 V N -2.169 117.883 119.914 0.231 0.000 3.007 560 V HA 0.511 4.944 4.120 0.521 0.000 0.311 560 V C -0.237 175.844 176.094 -0.023 0.000 1.120 560 V CA -0.932 61.425 62.300 0.095 0.000 0.980 560 V CB 2.137 34.018 31.823 0.097 0.000 1.033 560 V HN 0.615 nan 8.190 nan 0.000 0.429 561 S N 2.447 118.036 115.700 -0.184 0.000 4.120 561 S HA 0.641 5.423 4.470 0.521 0.000 0.196 561 S C 0.084 174.378 174.600 -0.510 0.000 1.447 561 S CA 0.345 58.366 58.200 -0.299 0.000 0.939 561 S CB -0.712 62.230 63.200 -0.430 0.000 1.496 561 S HN 1.225 nan 8.310 nan 0.000 0.460 562 S N 0.986 116.579 115.700 -0.178 0.000 2.645 562 S HA 0.250 5.033 4.470 0.521 0.000 0.268 562 S C -1.749 172.813 174.600 -0.063 0.000 1.110 562 S CA -0.808 57.339 58.200 -0.088 0.000 0.823 562 S CB 0.554 63.683 63.200 -0.118 0.000 1.091 562 S HN 0.542 nan 8.310 nan 0.000 0.466 563 H N 1.627 120.794 119.070 0.161 0.000 2.610 563 H HA 0.282 5.149 4.556 0.518 0.000 0.336 563 H C 1.380 176.673 175.328 -0.058 0.000 1.087 563 H CA 0.635 56.737 56.048 0.090 0.000 1.405 563 H CB 1.448 31.329 29.762 0.199 0.000 1.460 563 H HN 0.549 nan 8.280 nan 0.000 0.538 564 V N 0.657 120.510 119.914 -0.101 0.000 3.541 564 V HA -0.080 4.353 4.120 0.521 0.000 0.267 564 V C 2.133 177.893 176.094 -0.557 0.000 1.213 564 V CA 0.525 62.533 62.300 -0.487 0.000 1.149 564 V CB -0.452 30.742 31.823 -1.048 0.000 0.822 564 V HN 0.642 nan 8.190 nan 0.000 0.462 565 M N 2.166 121.628 119.600 -0.230 0.000 2.082 565 M HA -0.177 4.615 4.480 0.521 0.000 0.258 565 M C 2.546 178.779 176.300 -0.111 0.000 1.069 565 M CA 2.804 58.042 55.300 -0.104 0.000 1.102 565 M CB -0.766 31.988 32.600 0.256 0.000 1.336 565 M HN 0.745 nan 8.290 nan 0.000 0.404 566 T N -0.356 113.950 114.554 -0.413 0.000 2.635 566 T HA -0.204 4.458 4.350 0.521 0.000 0.267 566 T C 1.589 176.276 174.700 -0.022 0.000 1.040 566 T CA 1.617 63.449 62.100 -0.448 0.000 1.156 566 T CB -0.758 67.745 68.868 -0.610 0.000 0.863 566 T HN 0.316 nan 8.240 nan 0.000 0.430 567 I N 0.319 120.893 120.570 0.008 0.000 2.439 567 I HA 0.069 4.552 4.170 0.521 0.000 0.251 567 I C 1.754 178.117 176.117 0.411 0.000 1.139 567 I CA 0.442 61.859 61.300 0.196 0.000 1.438 567 I CB -0.736 37.385 38.000 0.200 0.000 1.085 567 I HN 0.098 nan 8.210 nan 0.000 0.427 568 F N -0.236 119.756 119.950 0.070 0.000 2.186 568 F HA -0.150 4.686 4.527 0.514 0.000 0.299 568 F C 2.300 178.096 175.800 -0.007 0.000 1.090 568 F CA 1.026 59.034 58.000 0.013 0.000 1.307 568 F CB -1.657 37.290 39.000 -0.089 0.000 1.019 568 F HN 0.116 nan 8.300 nan 0.000 0.489 569 Y N 0.280 120.759 120.300 0.297 0.000 2.181 569 Y HA -0.087 4.778 4.550 0.524 0.000 0.288 569 Y C 2.710 178.704 175.900 0.158 0.000 1.146 569 Y CA 1.183 59.422 58.100 0.230 0.000 1.164 569 Y CB -1.193 37.474 38.460 0.344 0.000 0.982 569 Y HN 0.024 nan 8.280 nan 0.000 0.515 570 G N -0.539 108.458 108.800 0.328 0.000 2.418 570 G HA2 -0.303 3.969 3.960 0.521 0.000 0.217 570 G HA3 -0.303 3.969 3.960 0.521 0.000 0.217 570 G C 1.799 176.732 174.900 0.055 0.000 1.158 570 G CA 0.981 46.204 45.100 0.206 0.000 0.771 570 G HN 0.407 nan 8.290 nan 0.000 0.545 571 M N 0.896 120.625 119.600 0.215 0.000 2.117 571 M HA 0.037 4.829 4.480 0.521 0.000 0.262 571 M C 2.724 179.089 176.300 0.109 0.000 1.065 571 M CA 1.848 57.336 55.300 0.313 0.000 1.114 571 M CB -0.133 32.711 32.600 0.406 0.000 1.361 571 M HN 0.261 nan 8.290 nan 0.000 0.408 572 A N 0.810 123.652 122.820 0.036 0.000 1.902 572 A HA -0.120 4.513 4.320 0.521 0.000 0.217 572 A C 2.022 179.532 177.584 -0.124 0.000 1.181 572 A CA 1.497 53.498 52.037 -0.059 0.000 0.623 572 A CB -0.980 17.968 19.000 -0.087 0.000 0.818 572 A HN 0.618 nan 8.150 nan 0.000 0.443 573 L N -0.787 120.363 121.223 -0.121 0.000 2.056 573 L HA -0.188 4.464 4.340 0.521 0.000 0.207 573 L C 2.643 179.284 176.870 -0.381 0.000 1.078 573 L CA 1.918 56.670 54.840 -0.146 0.000 0.749 573 L CB -0.431 41.674 42.059 0.076 0.000 0.901 573 L HN 0.475 nan 8.230 nan 0.000 0.433 574 K N 0.158 120.069 120.400 -0.815 0.000 2.026 574 K HA -0.151 4.481 4.320 0.521 0.000 0.208 574 K C 2.013 178.404 176.600 -0.348 0.000 1.048 574 K CA 1.341 57.018 56.287 -1.017 0.000 0.929 574 K CB 0.022 31.789 32.500 -1.222 0.000 0.713 574 K HN 0.044 nan 8.250 nan 0.000 0.439 575 V N 1.324 121.154 119.914 -0.140 0.000 2.343 575 V HA -0.237 4.195 4.120 0.521 0.000 0.247 575 V C 2.419 178.472 176.094 -0.069 0.000 1.051 575 V CA 1.914 64.207 62.300 -0.011 0.000 1.036 575 V CB -0.656 31.191 31.823 0.040 0.000 0.654 575 V HN 0.508 nan 8.190 nan 0.000 0.451 576 A N -0.093 122.657 122.820 -0.116 0.000 1.908 576 A HA -0.287 4.345 4.320 0.521 0.000 0.218 576 A C 2.008 179.541 177.584 -0.084 0.000 1.181 576 A CA 2.175 54.136 52.037 -0.128 0.000 0.627 576 A CB -0.683 18.231 19.000 -0.143 0.000 0.818 576 A HN 0.530 nan 8.150 nan 0.000 0.445 577 D N -0.071 120.299 120.400 -0.050 0.000 2.123 577 D HA -0.073 4.880 4.640 0.521 0.000 0.196 577 D C 2.242 178.548 176.300 0.011 0.000 0.992 577 D CA 1.556 55.560 54.000 0.007 0.000 0.833 577 D CB -0.421 40.425 40.800 0.077 0.000 0.954 577 D HN 0.432 nan 8.370 nan 0.000 0.455 578 A N 0.529 123.350 122.820 0.001 0.000 1.902 578 A HA -0.134 4.499 4.320 0.521 0.000 0.217 578 A C 2.386 179.998 177.584 0.046 0.000 1.181 578 A CA 0.915 52.973 52.037 0.036 0.000 0.623 578 A CB -0.693 18.341 19.000 0.056 0.000 0.818 578 A HN 0.205 nan 8.150 nan 0.000 0.443 579 I N -0.360 120.215 120.570 0.010 0.000 2.179 579 I HA -0.267 4.216 4.170 0.521 0.000 0.242 579 I C 2.358 178.505 176.117 0.049 0.000 1.088 579 I CA 1.158 62.466 61.300 0.014 0.000 1.357 579 I CB -0.334 37.589 38.000 -0.128 0.000 1.051 579 I HN 0.279 nan 8.210 nan 0.000 0.409 580 L N 0.173 121.393 121.223 -0.005 0.000 2.083 580 L HA -0.229 4.423 4.340 0.521 0.000 0.209 580 L C 2.130 179.077 176.870 0.129 0.000 1.083 580 L CA 1.129 55.993 54.840 0.041 0.000 0.752 580 L CB -0.665 41.385 42.059 -0.016 0.000 0.899 580 L HN 0.270 nan 8.230 nan 0.000 0.433 581 D N -0.004 120.453 120.400 0.095 0.000 2.097 581 D HA -0.188 4.765 4.640 0.521 0.000 0.195 581 D C 1.803 178.174 176.300 0.118 0.000 0.989 581 D CA 1.219 55.277 54.000 0.097 0.000 0.827 581 D CB -0.180 40.665 40.800 0.075 0.000 0.966 581 D HN 0.246 nan 8.370 nan 0.000 0.456 582 D N -0.607 119.875 120.400 0.137 0.000 2.117 582 D HA -0.155 4.797 4.640 0.521 0.000 0.197 582 D C 1.915 178.324 176.300 0.183 0.000 0.987 582 D CA 0.532 54.624 54.000 0.153 0.000 0.829 582 D CB -0.390 40.513 40.800 0.172 0.000 0.961 582 D HN 0.275 nan 8.370 nan 0.000 0.460 583 Y N 1.560 121.921 120.300 0.101 0.000 2.128 583 Y HA -0.229 4.634 4.550 0.521 0.000 0.284 583 Y C 2.228 178.164 175.900 0.060 0.000 1.154 583 Y CA 1.977 60.116 58.100 0.065 0.000 1.149 583 Y CB -0.371 38.101 38.460 0.020 0.000 0.976 583 Y HN -0.046 nan 8.280 nan 0.000 0.505 584 A N 0.233 123.135 122.820 0.136 0.000 1.972 584 A HA -0.179 4.454 4.320 0.521 0.000 0.219 584 A C 2.058 179.636 177.584 -0.010 0.000 1.169 584 A CA 1.755 53.824 52.037 0.053 0.000 0.635 584 A CB -0.535 18.534 19.000 0.115 0.000 0.810 584 A HN 0.537 nan 8.150 nan 0.000 0.446 585 K N 0.208 120.619 120.400 0.018 0.000 2.525 585 K HA 0.091 4.724 4.320 0.521 0.000 0.192 585 K C 0.744 177.342 176.600 -0.003 0.000 1.029 585 K CA 0.703 57.000 56.287 0.017 0.000 1.029 585 K CB 0.126 32.653 32.500 0.044 0.000 0.814 585 K HN 0.379 nan 8.250 nan 0.000 0.503 586 S N 0.447 116.120 115.700 -0.044 0.000 2.554 586 S HA 0.343 5.126 4.470 0.521 0.000 0.226 586 S C -0.038 174.513 174.600 -0.082 0.000 0.980 586 S CA 0.165 58.341 58.200 -0.041 0.000 0.939 586 S CB 0.529 63.734 63.200 0.009 0.000 0.832 586 S HN 0.456 nan 8.310 nan 0.000 0.486 587 A N 0.000 122.759 122.820 -0.102 0.000 2.254 587 A HA 0.000 4.632 4.320 0.521 0.000 0.244 587 A CA 0.000 51.985 52.037 -0.087 0.000 0.836 587 A CB 0.000 18.972 19.000 -0.047 0.000 0.831 587 A HN 0.000 nan 8.150 nan 0.000 0.486