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 2pan_1_A DATA FIRST_RESID 2 DATA SEQUENCE AKXRAVDAAX YVLEKEGITT AFGVPGAAIN PFYSAXRKHG GIRHILARHV DATA SEQUENCE EGASHXAEGY TRATAGNIGV CLGTSGPAGT DXITALYSAS ADSIPILCIT DATA SEQUENCE GQAPRARLHK EDFQAVDIEA IAKPVSKXAV TVREAALVPR VLQQAFHLXR DATA SEQUENCE SGRPGPVLVD LPFDVQVAEI EFDPDXYEPL PVYKPAASRX QIEKAVEXLI DATA SEQUENCE QAERPVIVAG GGVINADAAA LLQQFAELTS VPVIPTLXGW GCIPDDHELX DATA SEQUENCE AGXVGLQTAH RYGNATLLAS DXVFGIGNRF ANRHTGSVEK YTEGRKIVHI DATA SEQUENCE DIEPTQIGRV LCPDLGIVSD AKAALTLLVE VAQEXQKAGR LPCRKEWVAD DATA SEQUENCE CQQRKRTLLR KTHFDNVPVK PQRVYEEXNK AFGRDVCYVT TIGLSQIAAA DATA SEQUENCE QXLHVFKDRH WINCGQAGPL GWTIPAALGV CAADPKRNVV AISGDFDFQF DATA SEQUENCE LIEELAVGAQ FNIPYIHVLV NNAYLGLIRQ SQRAFDXDYC VQLAFENINS DATA SEQUENCE SEVNGYGVDH VKVAEGLGCK AIRVFKPEDI APAFEQAKAL XAQYRVPVVV DATA SEQUENCE EVILERVTNI SXGSELDNVX EFEDIADNAA DAPTETCFXH YE 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.608 177.584 0.040 0.000 1.274 2 A CA 0.000 52.038 52.037 0.001 0.000 0.836 2 A CB 0.000 18.984 19.000 -0.026 0.000 0.831 6 A N 1.159 123.933 122.820 -0.077 0.000 1.908 6 A HA -0.147 4.173 4.320 0.000 0.000 0.218 6 A C 1.775 179.276 177.584 -0.138 0.000 1.181 6 A CA 2.241 54.212 52.037 -0.110 0.000 0.627 6 A CB -0.665 18.286 19.000 -0.080 0.000 0.818 6 A HN 0.540 nan 8.150 nan 0.000 0.445 7 V N -1.864 117.977 119.914 -0.122 0.000 2.490 7 V HA -0.209 3.911 4.120 0.000 0.000 0.250 7 V C 1.747 177.689 176.094 -0.252 0.000 1.061 7 V CA 2.218 64.415 62.300 -0.173 0.000 1.064 7 V CB -0.927 30.800 31.823 -0.159 0.000 0.670 7 V HN 0.399 nan 8.190 nan 0.000 0.461 8 D N 1.537 121.839 120.400 -0.164 0.000 2.097 8 D HA -0.066 4.574 4.640 0.000 0.000 0.197 8 D C 2.343 178.606 176.300 -0.061 0.000 0.984 8 D CA 1.965 55.898 54.000 -0.111 0.000 0.826 8 D CB -0.304 40.498 40.800 0.005 0.000 0.973 8 D HN 0.571 nan 8.370 nan 0.000 0.460 9 A N 1.362 124.128 122.820 -0.090 0.000 1.972 9 A HA 0.090 4.410 4.320 0.000 0.000 0.219 9 A C 1.580 178.966 177.584 -0.329 0.000 1.169 9 A CA 1.326 53.224 52.037 -0.233 0.000 0.635 9 A CB -0.602 17.963 19.000 -0.726 0.000 0.810 9 A HN 0.270 nan 8.150 nan 0.000 0.446 13 V N 1.587 121.391 119.914 -0.183 0.000 2.295 13 V HA -0.311 3.809 4.120 0.000 0.000 0.246 13 V C 2.037 177.958 176.094 -0.287 0.000 1.049 13 V CA 2.472 64.509 62.300 -0.439 0.000 1.024 13 V CB -0.692 30.840 31.823 -0.486 0.000 0.648 13 V HN 0.329 nan 8.190 nan 0.000 0.447 14 L N -0.448 120.653 121.223 -0.203 0.000 2.079 14 L HA -0.182 4.159 4.340 0.000 0.000 0.210 14 L C 2.727 179.508 176.870 -0.150 0.000 1.081 14 L CA 1.534 56.292 54.840 -0.137 0.000 0.752 14 L CB -0.649 41.373 42.059 -0.062 0.000 0.896 14 L HN 0.396 nan 8.230 nan 0.000 0.433 15 E N 0.386 120.493 120.200 -0.154 0.000 2.047 15 E HA -0.183 4.167 4.350 0.000 0.000 0.191 15 E C 2.111 178.692 176.600 -0.031 0.000 0.987 15 E CA 0.985 57.338 56.400 -0.078 0.000 0.799 15 E CB -0.089 29.580 29.700 -0.052 0.000 0.752 15 E HN 0.482 nan 8.360 nan 0.000 0.449 16 K N 0.626 121.019 120.400 -0.010 0.000 2.280 16 K HA -0.138 4.183 4.320 0.000 0.000 0.202 16 K C 1.620 178.220 176.600 -0.000 0.000 1.047 16 K CA 0.753 57.071 56.287 0.052 0.000 0.942 16 K CB 0.049 32.650 32.500 0.167 0.000 0.739 16 K HN -0.063 nan 8.250 nan 0.000 0.457 17 E N -0.675 119.443 120.200 -0.137 0.000 2.474 17 E HA 0.038 4.388 4.350 0.000 0.000 0.195 17 E C 0.642 177.111 176.600 -0.219 0.000 1.039 17 E CA 0.384 56.589 56.400 -0.326 0.000 0.881 17 E CB 0.632 29.784 29.700 -0.913 0.000 0.970 17 E HN 0.365 nan 8.360 nan 0.000 0.486 18 G N 0.026 108.778 108.800 -0.079 0.000 2.201 18 G HA2 -0.239 3.722 3.960 0.000 0.000 0.212 18 G HA3 -0.239 3.722 3.960 0.000 0.000 0.212 18 G C 0.026 174.959 174.900 0.054 0.000 0.994 18 G CA -0.040 45.068 45.100 0.013 0.000 0.644 18 G HN 0.151 nan 8.290 nan 0.000 0.508 19 I N 2.393 122.986 120.570 0.038 0.000 2.533 19 I HA 0.434 4.605 4.170 0.000 0.000 0.284 19 I C 1.688 177.808 176.117 0.005 0.000 1.109 19 I CA 1.404 62.736 61.300 0.053 0.000 1.412 19 I CB 1.653 39.691 38.000 0.064 0.000 1.396 19 I HN 0.320 nan 8.210 nan 0.000 0.543 20 T N -0.239 114.318 114.554 0.004 0.000 3.058 20 T HA 0.297 4.647 4.350 0.000 0.000 0.278 20 T C 0.487 175.124 174.700 -0.105 0.000 0.974 20 T CA -0.105 61.981 62.100 -0.022 0.000 0.893 20 T CB 0.024 68.911 68.868 0.031 0.000 1.138 20 T HN 0.481 nan 8.240 nan 0.000 0.529 21 T N 1.650 116.067 114.554 -0.229 0.000 2.916 21 T HA 0.805 5.156 4.350 0.000 0.000 0.305 21 T C -1.424 172.915 174.700 -0.601 0.000 1.119 21 T CA -0.626 61.191 62.100 -0.471 0.000 1.008 21 T CB 1.907 70.387 68.868 -0.646 0.000 1.129 21 T HN 0.525 nan 8.240 nan 0.000 0.480 22 A N 1.959 124.341 122.820 -0.730 0.000 2.517 22 A HA 0.807 5.127 4.320 0.000 0.000 0.297 22 A C -1.769 175.286 177.584 -0.882 0.000 1.050 22 A CA -0.783 50.888 52.037 -0.610 0.000 0.694 22 A CB 0.919 19.780 19.000 -0.232 0.000 1.277 22 A HN 0.656 nan 8.150 nan 0.000 0.400 23 F N 1.339 121.078 119.950 -0.353 0.000 2.458 23 F HA 0.800 5.327 4.527 0.000 0.000 0.336 23 F C 0.944 176.598 175.800 -0.243 0.000 1.114 23 F CA 0.273 58.037 58.000 -0.395 0.000 0.987 23 F CB 2.596 41.424 39.000 -0.286 0.000 1.130 23 F HN 0.959 nan 8.300 nan 0.000 0.458 24 G N 0.680 109.457 108.800 -0.038 0.000 2.488 24 G HA2 0.569 4.529 3.960 0.000 0.000 0.301 24 G HA3 0.569 4.529 3.960 0.000 0.000 0.301 24 G C -2.398 172.697 174.900 0.327 0.000 1.339 24 G CA -0.749 44.497 45.100 0.244 0.000 0.803 24 G HN 0.462 nan 8.290 nan 0.000 0.482 25 V N 2.278 122.360 119.914 0.280 0.000 2.524 25 V HA 0.533 4.653 4.120 0.000 0.000 0.297 25 V C -2.139 173.988 176.094 0.055 0.000 1.035 25 V CA -1.089 61.306 62.300 0.159 0.000 0.867 25 V CB 1.982 33.850 31.823 0.076 0.000 1.004 25 V HN 0.704 nan 8.190 nan 0.000 0.426 26 P HA 0.623 nan 4.420 nan 0.000 0.276 26 P C -0.078 177.098 177.300 -0.206 0.000 1.261 26 P CA 0.016 62.835 63.100 -0.468 0.000 0.800 26 P CB 1.633 32.757 31.700 -0.960 0.000 1.066 27 G N -2.015 106.685 108.800 -0.167 0.000 2.601 27 G HA2 0.434 4.394 3.960 0.000 0.000 0.291 27 G HA3 0.434 4.394 3.960 0.000 0.000 0.291 27 G C 0.411 175.314 174.900 0.005 0.000 1.456 27 G CA -0.047 45.023 45.100 -0.050 0.000 0.804 27 G HN 0.379 nan 8.290 nan 0.000 0.499 28 A N 0.099 122.945 122.820 0.042 0.000 1.908 28 A HA 0.196 4.517 4.320 0.000 0.000 0.218 28 A C 2.699 180.403 177.584 0.199 0.000 1.181 28 A CA 3.079 55.170 52.037 0.090 0.000 0.627 28 A CB -0.797 18.231 19.000 0.046 0.000 0.818 28 A HN 1.883 nan 8.150 nan 0.000 0.445 29 A N -1.468 121.458 122.820 0.176 0.000 2.067 29 A HA 0.085 4.405 4.320 0.000 0.000 0.219 29 A C 1.745 179.487 177.584 0.263 0.000 1.158 29 A CA 1.576 53.775 52.037 0.270 0.000 0.661 29 A CB -0.298 18.795 19.000 0.155 0.000 0.801 29 A HN 0.602 nan 8.150 nan 0.000 0.452 30 I N -0.828 119.851 120.570 0.182 0.000 4.025 30 I HA 0.175 4.345 4.170 0.000 0.000 0.336 30 I C 1.115 177.390 176.117 0.263 0.000 1.390 30 I CA -0.074 61.338 61.300 0.188 0.000 1.099 30 I CB -0.613 37.485 38.000 0.163 0.000 1.049 30 I HN 0.260 nan 8.210 nan 0.000 0.394 31 N N 1.456 120.271 118.700 0.192 0.000 2.104 31 N HA -0.132 4.608 4.740 0.000 0.000 0.190 31 N C -0.997 174.606 175.510 0.155 0.000 1.024 31 N CA 1.364 54.511 53.050 0.161 0.000 0.853 31 N CB -0.597 37.969 38.487 0.132 0.000 1.008 31 N HN 0.297 nan 8.380 nan 0.000 0.424 32 P HA -0.152 nan 4.420 nan 0.000 0.216 32 P C 1.001 178.319 177.300 0.031 0.000 1.150 32 P CA 0.927 64.001 63.100 -0.043 0.000 0.837 32 P CB -0.027 31.521 31.700 -0.253 0.000 0.786 33 F N -1.226 118.707 119.950 -0.030 0.000 2.102 33 F HA -0.237 4.290 4.527 0.000 0.000 0.298 33 F C 2.173 177.932 175.800 -0.068 0.000 1.105 33 F CA 1.551 59.517 58.000 -0.057 0.000 1.239 33 F CB -0.777 38.192 39.000 -0.051 0.000 0.991 33 F HN -0.167 nan 8.300 nan 0.000 0.474 34 Y N -0.436 119.962 120.300 0.164 0.000 2.207 34 Y HA -0.259 4.291 4.550 0.000 0.000 0.287 34 Y C 2.995 178.860 175.900 -0.059 0.000 1.156 34 Y CA 1.772 59.893 58.100 0.035 0.000 1.182 34 Y CB -1.110 37.355 38.460 0.007 0.000 0.979 34 Y HN 0.167 nan 8.280 nan 0.000 0.521 35 S N 0.028 115.784 115.700 0.092 0.000 2.356 35 S HA -0.081 4.389 4.470 0.000 0.000 0.223 35 S C 1.454 176.015 174.600 -0.065 0.000 1.032 35 S CA 0.477 58.684 58.200 0.011 0.000 1.005 35 S CB -0.707 62.497 63.200 0.007 0.000 0.867 35 S HN 0.347 nan 8.310 nan 0.000 0.449 39 K N 0.232 120.607 120.400 -0.043 0.000 2.097 39 K HA -0.177 4.144 4.320 0.000 0.000 0.206 39 K C 1.768 178.335 176.600 -0.055 0.000 1.049 39 K CA 1.834 58.095 56.287 -0.043 0.000 0.933 39 K CB -0.223 32.252 32.500 -0.042 0.000 0.717 39 K HN 0.279 nan 8.250 nan 0.000 0.442 40 H N -0.293 118.677 119.070 -0.166 0.000 2.415 40 H HA 0.035 4.591 4.556 0.000 0.000 0.297 40 H C 0.698 175.926 175.328 -0.167 0.000 1.048 40 H CA 1.425 57.346 56.048 -0.213 0.000 1.365 40 H CB 0.149 29.721 29.762 -0.316 0.000 1.421 40 H HN 0.420 nan 8.280 nan 0.000 0.533 41 G N -1.353 107.449 108.800 0.003 0.000 2.860 41 G HA2 -0.044 3.916 3.960 0.000 0.000 0.553 41 G HA3 -0.044 3.916 3.960 0.000 0.000 0.553 41 G C 0.849 175.775 174.900 0.044 0.000 1.439 41 G CA 0.389 45.482 45.100 -0.012 0.000 0.879 41 G HN 1.106 nan 8.290 nan 0.000 0.545 42 G N -1.766 107.039 108.800 0.008 0.000 2.195 42 G HA2 -0.129 3.831 3.960 0.000 0.000 0.246 42 G HA3 -0.129 3.831 3.960 0.000 0.000 0.246 42 G C 0.395 175.285 174.900 -0.016 0.000 0.984 42 G CA 0.774 45.880 45.100 0.010 0.000 0.633 42 G HN 1.598 nan 8.290 nan 0.000 0.525 43 I N 1.083 121.630 120.570 -0.038 0.000 2.389 43 I HA 0.386 4.556 4.170 0.000 0.000 0.288 43 I C 0.588 176.666 176.117 -0.064 0.000 0.999 43 I CA -0.911 60.347 61.300 -0.071 0.000 1.129 43 I CB 1.732 39.672 38.000 -0.099 0.000 1.288 43 I HN 0.076 nan 8.210 nan 0.000 0.444 44 R N 5.907 126.350 120.500 -0.095 0.000 2.216 44 R HA 0.190 4.530 4.340 0.000 0.000 0.332 44 R C -0.582 175.615 176.300 -0.171 0.000 1.056 44 R CA -0.364 55.679 56.100 -0.094 0.000 0.901 44 R CB 0.469 30.706 30.300 -0.104 0.000 1.039 44 R HN 0.613 nan 8.270 nan 0.000 0.456 45 H N 6.623 125.591 119.070 -0.169 0.000 2.517 45 H HA 0.190 4.746 4.556 0.000 0.000 0.317 45 H C -0.561 174.603 175.328 -0.272 0.000 1.080 45 H CA -0.536 55.393 56.048 -0.200 0.000 1.301 45 H CB 0.855 30.586 29.762 -0.051 0.000 1.425 45 H HN 0.432 nan 8.280 nan 0.000 0.471 46 I N 6.847 126.896 120.570 -0.868 0.000 2.321 46 I HA 0.034 4.204 4.170 0.000 0.000 0.291 46 I C 0.160 175.914 176.117 -0.605 0.000 0.998 46 I CA -0.918 59.837 61.300 -0.908 0.000 1.227 46 I CB 0.880 38.473 38.000 -0.679 0.000 1.368 46 I HN 0.402 nan 8.210 nan 0.000 0.466 47 L N 6.945 128.107 121.223 -0.102 0.000 2.369 47 L HA 0.532 4.873 4.340 0.000 0.000 0.279 47 L C 0.506 177.486 176.870 0.183 0.000 1.108 47 L CA 0.193 55.189 54.840 0.260 0.000 0.852 47 L CB 0.455 42.795 42.059 0.467 0.000 1.169 47 L HN 0.738 nan 8.230 nan 0.000 0.452 48 A N 5.502 128.396 122.820 0.123 0.000 2.272 48 A HA 0.565 4.886 4.320 0.000 0.000 0.275 48 A C 0.740 178.392 177.584 0.115 0.000 1.096 48 A CA -0.375 51.723 52.037 0.102 0.000 0.822 48 A CB 0.405 19.442 19.000 0.063 0.000 1.088 48 A HN 0.830 nan 8.150 nan 0.000 0.495 49 R N -0.917 119.643 120.500 0.101 0.000 2.577 49 R HA 0.246 4.587 4.340 0.000 0.000 0.344 49 R C -0.681 175.681 176.300 0.102 0.000 1.037 49 R CA 0.169 56.320 56.100 0.085 0.000 1.102 49 R CB 0.111 30.458 30.300 0.079 0.000 1.313 49 R HN 0.855 nan 8.270 nan 0.000 0.561 50 H N -1.801 117.273 119.070 0.007 0.000 3.140 50 H HA 0.064 4.620 4.556 0.000 0.000 0.336 50 H C 0.578 175.894 175.328 -0.020 0.000 1.142 50 H CA -0.649 55.395 56.048 -0.007 0.000 1.308 50 H CB 1.280 31.035 29.762 -0.012 0.000 1.970 50 H HN -0.187 nan 8.280 nan 0.000 0.521 51 V N 3.344 123.387 119.914 0.215 0.000 2.332 51 V HA -0.234 3.886 4.120 0.000 0.000 0.248 51 V C 2.225 178.368 176.094 0.081 0.000 1.055 51 V CA 2.448 64.827 62.300 0.131 0.000 1.038 51 V CB -0.371 31.497 31.823 0.075 0.000 0.651 51 V HN 0.821 nan 8.190 nan 0.000 0.450 52 E N 0.130 120.421 120.200 0.150 0.000 2.097 52 E HA -0.229 4.121 4.350 0.000 0.000 0.196 52 E C 2.276 178.713 176.600 -0.271 0.000 1.000 52 E CA 1.464 57.753 56.400 -0.185 0.000 0.804 52 E CB -0.421 29.096 29.700 -0.305 0.000 0.740 52 E HN 0.624 nan 8.360 nan 0.000 0.454 53 G N 0.726 109.464 108.800 -0.103 0.000 2.446 53 G HA2 -0.286 3.674 3.960 0.000 0.000 0.217 53 G HA3 -0.286 3.674 3.960 0.000 0.000 0.217 53 G C 1.658 176.463 174.900 -0.158 0.000 1.168 53 G CA 1.095 46.141 45.100 -0.089 0.000 0.771 53 G HN 0.420 nan 8.290 nan 0.000 0.551 54 A N 1.064 123.823 122.820 -0.102 0.000 1.908 54 A HA -0.041 4.279 4.320 0.000 0.000 0.218 54 A C 2.725 180.193 177.584 -0.194 0.000 1.181 54 A CA 2.467 54.440 52.037 -0.106 0.000 0.627 54 A CB -0.640 18.363 19.000 0.004 0.000 0.818 54 A HN 0.429 nan 8.150 nan 0.000 0.445 55 S N -0.198 115.368 115.700 -0.224 0.000 2.356 55 S HA -0.086 4.384 4.470 0.000 0.000 0.223 55 S C 1.110 175.545 174.600 -0.275 0.000 1.032 55 S CA 0.769 58.816 58.200 -0.256 0.000 1.005 55 S CB -0.602 62.391 63.200 -0.345 0.000 0.867 55 S HN 0.700 nan 8.310 nan 0.000 0.449 59 E N 0.512 120.659 120.200 -0.088 0.000 2.051 59 E HA -0.105 4.245 4.350 0.000 0.000 0.192 59 E C 2.032 178.623 176.600 -0.016 0.000 0.991 59 E CA 1.179 57.597 56.400 0.030 0.000 0.799 59 E CB -0.213 29.599 29.700 0.186 0.000 0.748 59 E HN 0.593 nan 8.360 nan 0.000 0.449 60 G N 0.412 109.081 108.800 -0.219 0.000 2.418 60 G HA2 -0.309 3.652 3.960 0.000 0.000 0.217 60 G HA3 -0.309 3.652 3.960 0.000 0.000 0.217 60 G C 1.400 176.239 174.900 -0.101 0.000 1.158 60 G CA 0.842 45.795 45.100 -0.245 0.000 0.771 60 G HN 0.285 nan 8.290 nan 0.000 0.545 61 Y N 1.690 121.890 120.300 -0.166 0.000 2.165 61 Y HA -0.178 4.372 4.550 0.000 0.000 0.286 61 Y C 3.127 179.028 175.900 0.003 0.000 1.155 61 Y CA 2.297 60.382 58.100 -0.025 0.000 1.164 61 Y CB -0.279 38.265 38.460 0.140 0.000 0.978 61 Y HN 0.203 nan 8.280 nan 0.000 0.513 62 T N 0.275 114.944 114.554 0.192 0.000 2.701 62 T HA -0.166 4.185 4.350 0.000 0.000 0.263 62 T C 1.788 176.503 174.700 0.025 0.000 1.040 62 T CA 1.832 64.006 62.100 0.123 0.000 1.147 62 T CB -0.212 68.730 68.868 0.122 0.000 0.865 62 T HN 0.306 nan 8.240 nan 0.000 0.426 63 R N 0.979 121.493 120.500 0.023 0.000 2.237 63 R HA 0.130 4.470 4.340 0.000 0.000 0.219 63 R C 2.611 178.893 176.300 -0.030 0.000 1.080 63 R CA 0.848 56.958 56.100 0.016 0.000 0.995 63 R CB -0.309 30.027 30.300 0.059 0.000 0.875 63 R HN 0.329 nan 8.270 nan 0.000 0.462 64 A N 0.307 123.072 122.820 -0.091 0.000 1.898 64 A HA -0.039 4.281 4.320 0.000 0.000 0.216 64 A C 0.772 178.293 177.584 -0.106 0.000 1.181 64 A CA 1.259 53.217 52.037 -0.133 0.000 0.620 64 A CB 0.204 19.078 19.000 -0.210 0.000 0.819 64 A HN 0.213 nan 8.150 nan 0.000 0.442 65 T N -2.571 111.918 114.554 -0.109 0.000 2.956 65 T HA 0.539 4.889 4.350 0.000 0.000 0.312 65 T C 0.916 175.592 174.700 -0.039 0.000 1.151 65 T CA -0.143 61.912 62.100 -0.075 0.000 1.024 65 T CB 1.806 70.607 68.868 -0.111 0.000 1.140 65 T HN 0.409 nan 8.240 nan 0.000 0.473 66 A N 1.819 124.633 122.820 -0.011 0.000 1.892 66 A HA 0.048 4.368 4.320 0.000 0.000 0.218 66 A C 2.148 179.745 177.584 0.021 0.000 1.188 66 A CA 2.198 54.240 52.037 0.008 0.000 0.631 66 A CB -1.089 17.918 19.000 0.012 0.000 0.822 66 A HN 0.980 nan 8.150 nan 0.000 0.447 67 G N -1.000 107.815 108.800 0.025 0.000 2.985 67 G HA2 0.107 4.067 3.960 0.000 0.000 0.209 67 G HA3 0.107 4.067 3.960 0.000 0.000 0.209 67 G C 0.216 175.168 174.900 0.086 0.000 1.165 67 G CA -0.285 44.848 45.100 0.055 0.000 0.776 67 G HN 0.402 nan 8.290 nan 0.000 0.541 68 N N 0.771 119.508 118.700 0.061 0.000 2.513 68 N HA 0.272 5.012 4.740 0.000 0.000 0.268 68 N C -0.378 175.253 175.510 0.201 0.000 1.180 68 N CA 0.216 53.338 53.050 0.119 0.000 0.948 68 N CB 1.262 39.717 38.487 -0.052 0.000 1.083 68 N HN 0.021 nan 8.380 nan 0.000 0.455 69 I N 1.095 121.848 120.570 0.305 0.000 2.448 69 I HA 0.259 4.429 4.170 0.000 0.000 0.281 69 I C 0.772 177.038 176.117 0.249 0.000 1.027 69 I CA -0.844 60.598 61.300 0.237 0.000 1.111 69 I CB 1.368 39.484 38.000 0.194 0.000 1.236 69 I HN 0.401 nan 8.210 nan 0.000 0.452 70 G N 5.574 114.531 108.800 0.262 0.000 2.398 70 G HA2 0.396 4.356 3.960 0.000 0.000 0.246 70 G HA3 0.396 4.356 3.960 0.000 0.000 0.246 70 G C -0.354 174.565 174.900 0.033 0.000 1.289 70 G CA -0.067 45.113 45.100 0.133 0.000 0.869 70 G HN 0.342 nan 8.290 nan 0.000 0.543 71 V N 1.870 121.773 119.914 -0.018 0.000 2.495 71 V HA 0.439 4.559 4.120 0.000 0.000 0.298 71 V C -0.128 175.978 176.094 0.020 0.000 1.031 71 V CA -0.899 61.384 62.300 -0.028 0.000 0.871 71 V CB 1.548 33.331 31.823 -0.067 0.000 0.988 71 V HN 0.914 nan 8.190 nan 0.000 0.432 72 C N 7.276 126.568 119.300 -0.013 0.000 2.340 72 C HA 0.748 5.208 4.460 0.000 0.000 0.323 72 C C -0.611 174.351 174.990 -0.047 0.000 1.260 72 C CA -0.522 58.494 59.018 -0.004 0.000 1.464 72 C CB -0.447 27.277 27.740 -0.027 0.000 2.156 72 C HN 0.868 nan 8.230 nan 0.000 0.476 73 L N 6.275 127.495 121.223 -0.006 0.000 2.346 73 L HA 0.854 5.195 4.340 0.000 0.000 0.276 73 L C 0.603 177.519 176.870 0.076 0.000 1.006 73 L CA -0.046 54.782 54.840 -0.021 0.000 0.817 73 L CB 1.783 43.844 42.059 0.003 0.000 1.272 73 L HN 0.895 nan 8.230 nan 0.000 0.421 74 G N 0.368 109.185 108.800 0.029 0.000 2.682 74 G HA2 0.473 4.433 3.960 0.000 0.000 0.290 74 G HA3 0.473 4.433 3.960 0.000 0.000 0.290 74 G C -1.163 173.754 174.900 0.029 0.000 1.425 74 G CA -0.273 44.854 45.100 0.046 0.000 0.807 74 G HN 0.390 nan 8.290 nan 0.000 0.482 75 T N -0.818 113.748 114.554 0.021 0.000 2.865 75 T HA 0.563 4.913 4.350 0.000 0.000 0.302 75 T C 1.541 176.240 174.700 -0.001 0.000 1.078 75 T CA 0.566 62.678 62.100 0.020 0.000 0.942 75 T CB 0.214 69.092 68.868 0.017 0.000 1.387 75 T HN 1.197 nan 8.240 nan 0.000 0.557 76 S N -0.830 114.869 115.700 -0.000 0.000 2.641 76 S HA 0.587 5.058 4.470 0.000 0.000 0.261 76 S C 1.267 175.828 174.600 -0.065 0.000 1.257 76 S CA -0.022 58.162 58.200 -0.027 0.000 0.983 76 S CB -0.092 63.097 63.200 -0.019 0.000 0.990 76 S HN 1.609 nan 8.310 nan 0.000 0.572 77 G N 1.321 110.069 108.800 -0.086 0.000 2.596 77 G HA2 -0.267 3.694 3.960 0.000 0.000 0.304 77 G HA3 -0.267 3.694 3.960 0.000 0.000 0.304 77 G C -1.353 173.493 174.900 -0.089 0.000 1.189 77 G CA 0.230 45.259 45.100 -0.119 0.000 0.986 77 G HN 0.768 nan 8.290 nan 0.000 0.548 78 P HA 0.156 nan 4.420 nan 0.000 0.233 78 P C 1.757 179.032 177.300 -0.041 0.000 1.167 78 P CA 2.228 65.288 63.100 -0.066 0.000 0.770 78 P CB -0.258 31.396 31.700 -0.076 0.000 0.837 79 A N 0.930 123.725 122.820 -0.041 0.000 1.898 79 A HA -0.028 4.293 4.320 0.000 0.000 0.216 79 A C 2.570 180.144 177.584 -0.017 0.000 1.181 79 A CA 1.932 53.955 52.037 -0.023 0.000 0.620 79 A CB -1.875 17.114 19.000 -0.018 0.000 0.819 79 A HN 0.287 nan 8.150 nan 0.000 0.442 80 G N -0.523 108.261 108.800 -0.027 0.000 2.408 80 G HA2 -0.171 3.790 3.960 0.000 0.000 0.217 80 G HA3 -0.171 3.790 3.960 0.000 0.000 0.217 80 G C 1.692 176.582 174.900 -0.017 0.000 1.150 80 G CA 1.921 47.006 45.100 -0.026 0.000 0.776 80 G HN 0.695 nan 8.290 nan 0.000 0.542 81 T N -1.575 112.969 114.554 -0.017 0.000 3.035 81 T HA 0.059 4.410 4.350 0.000 0.000 0.268 81 T C 0.744 175.451 174.700 0.012 0.000 1.109 81 T CA 0.646 62.742 62.100 -0.006 0.000 1.119 81 T CB 0.005 68.865 68.868 -0.014 0.000 0.900 81 T HN 0.075 nan 8.240 nan 0.000 0.503 85 T N 2.165 116.799 114.554 0.132 0.000 2.788 85 T HA -0.065 4.285 4.350 0.000 0.000 0.268 85 T C 1.917 176.788 174.700 0.285 0.000 1.044 85 T CA 2.106 64.349 62.100 0.238 0.000 1.139 85 T CB -0.056 68.955 68.868 0.239 0.000 0.867 85 T HN 0.429 nan 8.240 nan 0.000 0.454 86 A N 1.047 123.981 122.820 0.191 0.000 1.897 86 A HA 0.121 4.442 4.320 0.000 0.000 0.215 86 A C 2.293 179.962 177.584 0.142 0.000 1.181 86 A CA 0.879 53.039 52.037 0.205 0.000 0.620 86 A CB -0.740 18.248 19.000 -0.018 0.000 0.821 86 A HN 0.451 nan 8.150 nan 0.000 0.443 87 L N -1.613 119.672 121.223 0.103 0.000 2.042 87 L HA -0.229 4.111 4.340 0.000 0.000 0.210 87 L C 2.635 179.587 176.870 0.136 0.000 1.076 87 L CA 1.934 56.828 54.840 0.090 0.000 0.749 87 L CB -0.705 41.395 42.059 0.068 0.000 0.893 87 L HN 0.622 nan 8.230 nan 0.000 0.432 88 Y N 0.338 120.660 120.300 0.037 0.000 2.114 88 Y HA -0.305 4.246 4.550 0.000 0.000 0.284 88 Y C 2.948 178.860 175.900 0.020 0.000 1.143 88 Y CA 1.519 59.633 58.100 0.025 0.000 1.135 88 Y CB -0.764 37.710 38.460 0.024 0.000 0.980 88 Y HN 0.116 nan 8.280 nan 0.000 0.499 89 S N 0.154 115.721 115.700 -0.221 0.000 2.359 89 S HA -0.232 4.239 4.470 0.000 0.000 0.224 89 S C 2.278 176.770 174.600 -0.179 0.000 1.035 89 S CA 1.762 59.761 58.200 -0.335 0.000 1.018 89 S CB -0.963 62.162 63.200 -0.124 0.000 0.876 89 S HN 0.671 nan 8.310 nan 0.000 0.448 90 A N 0.589 123.392 122.820 -0.029 0.000 1.873 90 A HA 0.017 4.337 4.320 0.000 0.000 0.215 90 A C 2.467 180.037 177.584 -0.022 0.000 1.186 90 A CA 1.961 54.000 52.037 0.003 0.000 0.616 90 A CB -1.273 17.753 19.000 0.044 0.000 0.823 90 A HN 0.569 nan 8.150 nan 0.000 0.442 91 S N -0.070 115.626 115.700 -0.007 0.000 2.359 91 S HA -0.148 4.322 4.470 0.000 0.000 0.223 91 S C 2.332 176.918 174.600 -0.024 0.000 1.039 91 S CA 1.466 59.672 58.200 0.009 0.000 1.042 91 S CB -0.569 62.671 63.200 0.066 0.000 0.915 91 S HN 0.826 nan 8.310 nan 0.000 0.439 92 A N 1.409 124.175 122.820 -0.090 0.000 1.940 92 A HA -0.145 4.175 4.320 0.000 0.000 0.219 92 A C 1.440 178.957 177.584 -0.111 0.000 1.176 92 A CA 1.722 53.683 52.037 -0.128 0.000 0.631 92 A CB -0.394 18.401 19.000 -0.342 0.000 0.814 92 A HN 0.376 nan 8.150 nan 0.000 0.446 93 D N -0.538 119.792 120.400 -0.117 0.000 2.342 93 D HA 0.229 4.869 4.640 0.000 0.000 0.221 93 D C 0.149 176.422 176.300 -0.045 0.000 1.101 93 D CA 0.647 54.594 54.000 -0.087 0.000 0.837 93 D CB 0.110 40.848 40.800 -0.104 0.000 0.938 93 D HN 0.212 nan 8.370 nan 0.000 0.508 94 S N -0.032 115.648 115.700 -0.033 0.000 3.682 94 S HA -0.223 4.247 4.470 0.000 0.000 0.354 94 S C 0.208 174.803 174.600 -0.008 0.000 1.034 94 S CA 0.481 58.671 58.200 -0.017 0.000 1.084 94 S CB -2.017 61.172 63.200 -0.018 0.000 0.903 94 S HN 0.557 nan 8.310 nan 0.000 0.470 95 I N -2.349 118.219 120.570 -0.002 0.000 2.730 95 I HA 0.898 5.068 4.170 0.000 0.000 0.298 95 I C -2.906 173.220 176.117 0.015 0.000 1.089 95 I CA -2.644 58.663 61.300 0.013 0.000 1.041 95 I CB 2.061 40.078 38.000 0.028 0.000 1.235 95 I HN -0.202 nan 8.210 nan 0.000 0.423 96 P HA 0.570 nan 4.420 nan 0.000 0.292 96 P C -1.039 176.269 177.300 0.012 0.000 1.283 96 P CA -0.345 62.755 63.100 0.000 0.000 0.835 96 P CB 1.685 33.376 31.700 -0.016 0.000 1.017 97 I N -0.239 120.327 120.570 -0.007 0.000 2.934 97 I HA 0.633 4.803 4.170 0.000 0.000 0.306 97 I C -1.261 174.817 176.117 -0.065 0.000 1.110 97 I CA -1.677 59.616 61.300 -0.012 0.000 1.019 97 I CB 2.273 40.277 38.000 0.007 0.000 1.227 97 I HN 0.050 nan 8.210 nan 0.000 0.434 98 L N 4.374 125.547 121.223 -0.084 0.000 2.294 98 L HA 0.565 4.905 4.340 0.000 0.000 0.283 98 L C -0.961 175.855 176.870 -0.090 0.000 1.015 98 L CA -0.070 54.694 54.840 -0.125 0.000 0.831 98 L CB 0.830 42.771 42.059 -0.196 0.000 1.217 98 L HN 0.809 nan 8.230 nan 0.000 0.420 99 C N 5.938 125.188 119.300 -0.085 0.000 2.330 99 C HA 0.602 5.063 4.460 0.000 0.000 0.344 99 C C 0.252 175.175 174.990 -0.113 0.000 1.273 99 C CA -0.752 58.215 59.018 -0.084 0.000 1.879 99 C CB -0.045 27.658 27.740 -0.062 0.000 2.376 99 C HN 0.673 nan 8.230 nan 0.000 0.534 100 I N 3.746 124.221 120.570 -0.159 0.000 2.418 100 I HA 0.401 4.571 4.170 0.000 0.000 0.287 100 I C 0.229 176.225 176.117 -0.202 0.000 1.008 100 I CA 0.106 61.269 61.300 -0.228 0.000 1.104 100 I CB 1.823 39.561 38.000 -0.437 0.000 1.264 100 I HN 0.707 nan 8.210 nan 0.000 0.438 101 T N 1.751 116.222 114.554 -0.139 0.000 2.885 101 T HA 0.686 5.036 4.350 0.000 0.000 0.285 101 T C 0.258 174.918 174.700 -0.066 0.000 1.019 101 T CA -0.801 61.247 62.100 -0.087 0.000 1.010 101 T CB 1.878 70.715 68.868 -0.053 0.000 1.022 101 T HN 0.626 nan 8.240 nan 0.000 0.466 102 G N 0.454 109.240 108.800 -0.024 0.000 2.634 102 G HA2 0.511 4.472 3.960 0.000 0.000 0.255 102 G HA3 0.511 4.472 3.960 0.000 0.000 0.255 102 G C -0.716 174.202 174.900 0.030 0.000 1.205 102 G CA -0.330 44.787 45.100 0.028 0.000 0.884 102 G HN 0.887 nan 8.290 nan 0.000 0.549 103 Q N -1.490 118.350 119.800 0.067 0.000 2.527 103 Q HA 0.565 4.906 4.340 0.000 0.000 0.280 103 Q C -0.314 175.738 176.000 0.087 0.000 0.977 103 Q CA -0.254 55.577 55.803 0.046 0.000 0.837 103 Q CB 1.357 30.105 28.738 0.018 0.000 1.454 103 Q HN 1.053 nan 8.270 nan 0.000 0.387 104 A N 3.136 125.983 122.820 0.046 0.000 2.448 104 A HA 0.568 4.888 4.320 0.000 0.000 0.239 104 A C -2.218 175.405 177.584 0.065 0.000 1.080 104 A CA -0.686 51.378 52.037 0.046 0.000 0.779 104 A CB -0.610 18.395 19.000 0.007 0.000 1.026 104 A HN 0.623 nan 8.150 nan 0.000 0.499 105 P HA 0.105 nan 4.420 nan 0.000 0.268 105 P C 0.478 177.806 177.300 0.047 0.000 1.208 105 P CA -0.094 63.058 63.100 0.086 0.000 0.777 105 P CB 0.396 32.141 31.700 0.074 0.000 0.875 106 R N 2.183 122.713 120.500 0.050 0.000 2.091 106 R HA -0.167 4.174 4.340 0.000 0.000 0.238 106 R C 2.043 178.366 176.300 0.038 0.000 1.136 106 R CA 1.920 58.041 56.100 0.036 0.000 0.959 106 R CB -1.040 29.286 30.300 0.043 0.000 0.856 106 R HN 0.513 nan 8.270 nan 0.000 0.437 107 A N 0.905 123.751 122.820 0.043 0.000 2.125 107 A HA -0.127 4.193 4.320 0.000 0.000 0.219 107 A C 1.663 179.272 177.584 0.042 0.000 1.156 107 A CA 1.160 53.223 52.037 0.044 0.000 0.671 107 A CB -0.133 18.890 19.000 0.038 0.000 0.794 107 A HN 0.237 nan 8.150 nan 0.000 0.459 108 R N -1.181 119.334 120.500 0.026 0.000 2.508 108 R HA 0.373 4.713 4.340 0.000 0.000 0.300 108 R C 0.978 177.268 176.300 -0.017 0.000 0.970 108 R CA -0.215 55.894 56.100 0.015 0.000 1.102 108 R CB 0.049 30.355 30.300 0.010 0.000 1.246 108 R HN 0.399 nan 8.270 nan 0.000 0.539 109 L N -0.178 121.011 121.223 -0.057 0.000 2.265 109 L HA -0.159 4.182 4.340 0.000 0.000 0.215 109 L C 1.077 177.743 176.870 -0.340 0.000 1.117 109 L CA 1.592 56.314 54.840 -0.198 0.000 0.782 109 L CB -0.146 41.750 42.059 -0.271 0.000 0.914 109 L HN 0.345 nan 8.230 nan 0.000 0.441 110 H N -1.800 117.275 119.070 0.008 0.000 2.755 110 H HA 0.190 4.746 4.556 0.000 0.000 0.273 110 H C 0.160 175.491 175.328 0.006 0.000 1.055 110 H CA -0.307 55.744 56.048 0.005 0.000 1.191 110 H CB 0.486 30.251 29.762 0.005 0.000 1.536 110 H HN 0.099 nan 8.280 nan 0.000 0.529 111 K N 1.174 121.623 120.400 0.081 0.000 2.098 111 K HA 0.132 4.452 4.320 0.000 0.000 0.257 111 K C -0.158 176.458 176.600 0.027 0.000 0.999 111 K CA -0.306 56.011 56.287 0.050 0.000 0.924 111 K CB 1.198 33.721 32.500 0.039 0.000 1.028 111 K HN 0.295 nan 8.250 nan 0.000 0.466 112 E N 1.805 122.020 120.200 0.025 0.000 2.148 112 E HA 0.011 4.361 4.350 0.000 0.000 0.308 112 E C -0.975 175.637 176.600 0.020 0.000 1.278 112 E CA -0.135 56.273 56.400 0.014 0.000 1.368 112 E CB -0.054 29.656 29.700 0.017 0.000 1.229 112 E HN 0.327 nan 8.360 nan 0.000 0.494 113 D N 0.732 121.140 120.400 0.013 0.000 2.414 113 D HA -0.029 4.611 4.640 0.000 0.000 0.242 113 D C -0.434 175.900 176.300 0.057 0.000 1.129 113 D CA -0.190 53.834 54.000 0.040 0.000 0.885 113 D CB 0.427 41.239 40.800 0.021 0.000 1.198 113 D HN 0.139 nan 8.370 nan 0.000 0.437 114 F N 2.949 122.878 119.950 -0.035 0.000 2.604 114 F HA -0.102 4.425 4.527 0.000 0.000 0.393 114 F C 1.045 176.825 175.800 -0.034 0.000 1.043 114 F CA 0.672 58.652 58.000 -0.035 0.000 1.227 114 F CB 0.026 39.002 39.000 -0.040 0.000 1.016 114 F HN 0.540 nan 8.300 nan 0.000 0.556 115 Q N 2.411 121.770 119.800 -0.735 0.000 2.481 115 Q HA -0.235 4.106 4.340 0.000 0.000 0.272 115 Q C -0.602 175.256 176.000 -0.237 0.000 1.157 115 Q CA 0.584 56.055 55.803 -0.553 0.000 0.935 115 Q CB -1.489 26.859 28.738 -0.650 0.000 1.338 115 Q HN 0.776 nan 8.270 nan 0.000 0.494 116 A N 0.409 123.131 122.820 -0.163 0.000 2.249 116 A HA 0.712 5.032 4.320 0.000 0.000 0.314 116 A C -0.513 177.012 177.584 -0.099 0.000 1.290 116 A CA -0.277 51.698 52.037 -0.102 0.000 0.893 116 A CB 1.584 20.539 19.000 -0.074 0.000 1.165 116 A HN 0.200 nan 8.150 nan 0.000 0.530 117 V N 2.033 121.894 119.914 -0.088 0.000 2.962 117 V HA 0.461 4.582 4.120 0.000 0.000 0.313 117 V C -0.930 175.126 176.094 -0.065 0.000 1.099 117 V CA -0.630 61.626 62.300 -0.074 0.000 0.971 117 V CB 2.241 34.022 31.823 -0.069 0.000 1.028 117 V HN 0.893 nan 8.190 nan 0.000 0.430 118 D N 4.066 124.434 120.400 -0.052 0.000 2.688 118 D HA 0.076 4.716 4.640 0.000 0.000 0.228 118 D C 0.957 177.240 176.300 -0.028 0.000 1.116 118 D CA -0.029 53.947 54.000 -0.041 0.000 1.023 118 D CB 0.177 40.964 40.800 -0.022 0.000 1.100 118 D HN 0.480 nan 8.370 nan 0.000 0.487 119 I N 1.652 122.202 120.570 -0.032 0.000 2.454 119 I HA -0.153 4.017 4.170 0.000 0.000 0.254 119 I C 1.913 178.019 176.117 -0.017 0.000 1.156 119 I CA 1.273 62.557 61.300 -0.026 0.000 1.433 119 I CB -0.137 37.845 38.000 -0.030 0.000 1.082 119 I HN 0.397 nan 8.210 nan 0.000 0.432 120 E N 0.480 120.671 120.200 -0.015 0.000 2.049 120 E HA -0.283 4.067 4.350 0.000 0.000 0.198 120 E C 2.217 178.815 176.600 -0.002 0.000 1.007 120 E CA 1.613 58.009 56.400 -0.007 0.000 0.809 120 E CB -0.268 29.430 29.700 -0.002 0.000 0.749 120 E HN 0.576 nan 8.360 nan 0.000 0.450 121 A N 0.613 123.432 122.820 -0.001 0.000 1.898 121 A HA -0.126 4.194 4.320 0.000 0.000 0.216 121 A C 2.174 179.756 177.584 -0.003 0.000 1.181 121 A CA 1.295 53.333 52.037 0.002 0.000 0.620 121 A CB -0.535 18.468 19.000 0.005 0.000 0.819 121 A HN 0.353 nan 8.150 nan 0.000 0.442 122 I N -0.537 120.028 120.570 -0.007 0.000 2.315 122 I HA -0.208 3.963 4.170 0.000 0.000 0.248 122 I C 2.682 178.795 176.117 -0.007 0.000 1.117 122 I CA 1.102 62.396 61.300 -0.010 0.000 1.404 122 I CB -0.123 37.869 38.000 -0.013 0.000 1.071 122 I HN 0.344 nan 8.210 nan 0.000 0.419 123 A N 0.007 122.824 122.820 -0.004 0.000 2.147 123 A HA -0.072 4.248 4.320 0.000 0.000 0.211 123 A C 2.212 179.800 177.584 0.007 0.000 1.160 123 A CA 0.455 52.493 52.037 0.002 0.000 0.781 123 A CB -0.235 18.765 19.000 -0.001 0.000 0.842 123 A HN 0.236 nan 8.150 nan 0.000 0.475 124 K N 0.575 120.978 120.400 0.004 0.000 2.059 124 K HA -0.156 4.165 4.320 0.000 0.000 0.212 124 K C -1.096 175.510 176.600 0.010 0.000 1.050 124 K CA 2.125 58.416 56.287 0.007 0.000 0.927 124 K CB -0.739 31.765 32.500 0.006 0.000 0.714 124 K HN 0.366 nan 8.250 nan 0.000 0.447 125 P HA -0.071 nan 4.420 nan 0.000 0.230 125 P C 0.089 177.402 177.300 0.022 0.000 1.158 125 P CA 0.863 63.967 63.100 0.006 0.000 0.769 125 P CB 0.243 31.936 31.700 -0.011 0.000 0.807 126 V N -4.222 115.712 119.914 0.034 0.000 2.909 126 V HA 0.475 4.596 4.120 0.000 0.000 0.362 126 V C -0.154 175.978 176.094 0.064 0.000 1.356 126 V CA -0.358 61.987 62.300 0.074 0.000 1.195 126 V CB -0.411 31.475 31.823 0.105 0.000 1.256 126 V HN 0.071 nan 8.190 nan 0.000 0.567 127 S N -1.417 114.307 115.700 0.039 0.000 2.550 127 S HA 0.623 5.094 4.470 0.000 0.000 0.270 127 S C -0.651 173.961 174.600 0.019 0.000 1.145 127 S CA -1.015 57.200 58.200 0.026 0.000 0.852 127 S CB 2.151 65.359 63.200 0.014 0.000 1.119 127 S HN 0.324 nan 8.310 nan 0.000 0.465 131 V N 2.158 122.071 119.914 -0.002 0.000 2.808 131 V HA 0.821 4.941 4.120 0.000 0.000 0.308 131 V C -0.461 175.633 176.094 -0.001 0.000 1.099 131 V CA -0.100 62.202 62.300 0.004 0.000 0.920 131 V CB 2.338 34.168 31.823 0.011 0.000 1.014 131 V HN 1.056 nan 8.190 nan 0.000 0.425 132 T N 5.852 120.408 114.554 0.002 0.000 2.743 132 T HA 0.426 4.776 4.350 0.000 0.000 0.293 132 T C -0.198 174.507 174.700 0.009 0.000 0.945 132 T CA -0.129 61.971 62.100 0.001 0.000 1.030 132 T CB 1.050 69.917 68.868 -0.001 0.000 0.912 132 T HN 0.602 nan 8.240 nan 0.000 0.483 133 V N 5.989 125.908 119.914 0.009 0.000 2.470 133 V HA 0.158 4.279 4.120 0.000 0.000 0.276 133 V C 1.458 177.562 176.094 0.016 0.000 1.040 133 V CA -0.221 62.087 62.300 0.013 0.000 1.008 133 V CB 0.600 32.429 31.823 0.011 0.000 0.990 133 V HN 0.771 nan 8.190 nan 0.000 0.477 134 R N 2.398 122.910 120.500 0.020 0.000 2.280 134 R HA 0.273 4.613 4.340 0.000 0.000 0.195 134 R C 0.183 176.497 176.300 0.023 0.000 0.935 134 R CA 0.149 56.264 56.100 0.024 0.000 1.033 134 R CB 0.524 30.840 30.300 0.027 0.000 0.964 134 R HN 0.639 nan 8.270 nan 0.000 0.489 135 E N -0.787 119.425 120.200 0.019 0.000 2.331 135 E HA 0.365 4.715 4.350 0.000 0.000 0.275 135 E C -0.071 176.534 176.600 0.009 0.000 0.895 135 E CA -0.328 56.082 56.400 0.017 0.000 0.753 135 E CB 2.115 31.827 29.700 0.020 0.000 1.216 135 E HN -0.113 nan 8.360 nan 0.000 0.434 136 A N 2.277 125.100 122.820 0.004 0.000 1.892 136 A HA -0.224 4.097 4.320 0.000 0.000 0.218 136 A C 1.947 179.518 177.584 -0.021 0.000 1.188 136 A CA 2.544 54.574 52.037 -0.011 0.000 0.631 136 A CB -0.572 18.422 19.000 -0.010 0.000 0.822 136 A HN 0.626 nan 8.150 nan 0.000 0.447 137 A N -0.847 121.971 122.820 -0.002 0.000 2.125 137 A HA 0.090 4.411 4.320 0.000 0.000 0.219 137 A C 1.965 179.554 177.584 0.008 0.000 1.156 137 A CA 1.259 53.300 52.037 0.007 0.000 0.671 137 A CB -0.491 18.529 19.000 0.033 0.000 0.794 137 A HN 0.495 nan 8.150 nan 0.000 0.459 138 L N -0.850 120.378 121.223 0.008 0.000 2.492 138 L HA -0.042 4.298 4.340 0.000 0.000 0.223 138 L C 2.187 179.058 176.870 0.003 0.000 1.132 138 L CA 0.034 54.884 54.840 0.018 0.000 0.850 138 L CB -0.277 41.796 42.059 0.024 0.000 0.966 138 L HN 0.204 nan 8.230 nan 0.000 0.454 139 V N 1.258 121.155 119.914 -0.027 0.000 2.231 139 V HA -0.201 3.919 4.120 0.000 0.000 0.248 139 V C -0.021 176.038 176.094 -0.058 0.000 1.054 139 V CA 2.290 64.567 62.300 -0.038 0.000 1.015 139 V CB -1.716 30.072 31.823 -0.059 0.000 0.638 139 V HN 0.387 nan 8.190 nan 0.000 0.444 140 P HA -0.150 nan 4.420 nan 0.000 0.220 140 P C 1.384 178.705 177.300 0.034 0.000 1.148 140 P CA 1.305 64.296 63.100 -0.182 0.000 0.803 140 P CB -0.156 31.233 31.700 -0.518 0.000 0.782 141 R N -0.317 120.227 120.500 0.073 0.000 2.093 141 R HA 0.032 4.372 4.340 0.000 0.000 0.224 141 R C 2.352 178.726 176.300 0.123 0.000 1.101 141 R CA 0.639 56.820 56.100 0.134 0.000 0.979 141 R CB -1.665 28.698 30.300 0.105 0.000 0.877 141 R HN 0.172 nan 8.270 nan 0.000 0.441 142 V N 1.771 121.736 119.914 0.086 0.000 2.358 142 V HA -0.187 3.933 4.120 0.000 0.000 0.246 142 V C 2.471 178.636 176.094 0.119 0.000 1.047 142 V CA 1.425 63.775 62.300 0.083 0.000 1.035 142 V CB -0.449 31.404 31.823 0.050 0.000 0.658 142 V HN 0.159 nan 8.190 nan 0.000 0.452 143 L N -0.517 120.790 121.223 0.140 0.000 2.046 143 L HA -0.240 4.100 4.340 0.000 0.000 0.208 143 L C 2.629 179.735 176.870 0.394 0.000 1.077 143 L CA 1.856 56.840 54.840 0.240 0.000 0.747 143 L CB -0.642 41.548 42.059 0.218 0.000 0.896 143 L HN 0.372 nan 8.230 nan 0.000 0.432 144 Q N -0.089 119.914 119.800 0.338 0.000 2.077 144 Q HA -0.327 4.014 4.340 0.000 0.000 0.206 144 Q C 2.274 178.463 176.000 0.315 0.000 0.989 144 Q CA 2.188 58.227 55.803 0.394 0.000 0.853 144 Q CB -0.032 28.938 28.738 0.385 0.000 0.907 144 Q HN 0.326 nan 8.270 nan 0.000 0.418 145 Q N -0.177 119.758 119.800 0.225 0.000 2.167 145 Q HA -0.088 4.253 4.340 0.000 0.000 0.202 145 Q C 1.698 177.823 176.000 0.208 0.000 0.970 145 Q CA 1.692 57.608 55.803 0.188 0.000 0.855 145 Q CB -0.383 28.428 28.738 0.122 0.000 0.911 145 Q HN 0.466 nan 8.270 nan 0.000 0.438 146 A N -0.674 122.248 122.820 0.170 0.000 1.902 146 A HA -0.125 4.195 4.320 0.000 0.000 0.217 146 A C 1.829 179.417 177.584 0.007 0.000 1.181 146 A CA 1.365 53.430 52.037 0.046 0.000 0.623 146 A CB -0.885 18.085 19.000 -0.051 0.000 0.818 146 A HN 0.475 nan 8.150 nan 0.000 0.443 147 F N -0.942 119.083 119.950 0.124 0.000 2.293 147 F HA -0.107 4.420 4.527 0.000 0.000 0.300 147 F C 2.321 178.200 175.800 0.132 0.000 1.086 147 F CA 1.458 59.530 58.000 0.120 0.000 1.375 147 F CB -0.378 38.705 39.000 0.138 0.000 1.045 147 F HN 0.468 nan 8.300 nan 0.000 0.516 148 H N 0.812 120.023 119.070 0.235 0.000 2.293 148 H HA -0.070 4.486 4.556 0.000 0.000 0.300 148 H C 1.231 176.628 175.328 0.115 0.000 1.082 148 H CA 0.948 57.089 56.048 0.156 0.000 1.308 148 H CB -0.427 29.409 29.762 0.123 0.000 1.375 148 H HN 0.097 nan 8.280 nan 0.000 0.495 152 S N 0.352 115.982 115.700 -0.117 0.000 2.646 152 S HA 0.584 5.054 4.470 0.000 0.000 0.276 152 S C 0.795 175.375 174.600 -0.032 0.000 1.222 152 S CA 0.257 58.389 58.200 -0.113 0.000 1.014 152 S CB 1.545 64.562 63.200 -0.305 0.000 0.991 152 S HN 0.525 nan 8.310 nan 0.000 0.533 153 G N 2.112 110.921 108.800 0.014 0.000 2.634 153 G HA2 -0.326 3.634 3.960 0.000 0.000 0.309 153 G HA3 -0.326 3.634 3.960 0.000 0.000 0.309 153 G C 0.005 174.901 174.900 -0.007 0.000 1.265 153 G CA 0.399 45.523 45.100 0.041 0.000 0.998 153 G HN 0.802 nan 8.290 nan 0.000 0.551 154 R N 1.996 122.503 120.500 0.012 0.000 2.288 154 R HA 0.412 4.753 4.340 0.000 0.000 0.330 154 R C -2.197 174.100 176.300 -0.005 0.000 1.069 154 R CA -1.197 54.902 56.100 -0.002 0.000 0.941 154 R CB 0.395 30.698 30.300 0.005 0.000 0.998 154 R HN 0.257 nan 8.270 nan 0.000 0.452 155 P HA 0.202 nan 4.420 nan 0.000 0.271 155 P C -0.624 176.672 177.300 -0.007 0.000 1.218 155 P CA -0.160 62.933 63.100 -0.012 0.000 0.780 155 P CB 1.360 33.055 31.700 -0.008 0.000 0.901 156 G N 1.441 110.236 108.800 -0.010 0.000 2.608 156 G HA2 0.578 4.539 3.960 0.000 0.000 0.291 156 G HA3 0.578 4.539 3.960 0.000 0.000 0.291 156 G C -3.263 171.628 174.900 -0.014 0.000 1.425 156 G CA -1.162 43.935 45.100 -0.005 0.000 0.787 156 G HN 0.249 nan 8.290 nan 0.000 0.484 157 P HA 0.595 nan 4.420 nan 0.000 0.278 157 P C -0.828 176.453 177.300 -0.031 0.000 1.258 157 P CA -0.514 62.573 63.100 -0.021 0.000 0.811 157 P CB 2.116 33.816 31.700 -0.000 0.000 1.063 158 V N 1.862 121.743 119.914 -0.056 0.000 2.789 158 V HA 0.402 4.523 4.120 0.000 0.000 0.311 158 V C -0.141 175.918 176.094 -0.057 0.000 1.073 158 V CA -0.805 61.462 62.300 -0.055 0.000 0.921 158 V CB 2.126 33.902 31.823 -0.079 0.000 1.009 158 V HN 0.446 nan 8.190 nan 0.000 0.426 159 L N 4.667 125.866 121.223 -0.040 0.000 2.333 159 L HA 0.781 5.121 4.340 0.000 0.000 0.280 159 L C -1.131 175.714 176.870 -0.041 0.000 1.004 159 L CA -0.376 54.438 54.840 -0.043 0.000 0.820 159 L CB 1.727 43.768 42.059 -0.030 0.000 1.247 159 L HN 0.486 nan 8.230 nan 0.000 0.416 160 V N 3.624 123.505 119.914 -0.055 0.000 2.409 160 V HA 0.360 4.481 4.120 0.000 0.000 0.291 160 V C -0.878 175.183 176.094 -0.054 0.000 1.020 160 V CA -0.525 61.748 62.300 -0.045 0.000 0.848 160 V CB 1.623 33.420 31.823 -0.042 0.000 0.990 160 V HN 0.701 nan 8.190 nan 0.000 0.430 161 D N 4.662 125.042 120.400 -0.034 0.000 2.381 161 D HA 0.521 5.161 4.640 0.000 0.000 0.235 161 D C -0.769 175.520 176.300 -0.018 0.000 1.068 161 D CA -0.171 53.810 54.000 -0.032 0.000 0.832 161 D CB 1.222 42.008 40.800 -0.024 0.000 1.101 161 D HN 0.424 nan 8.370 nan 0.000 0.515 162 L N 5.872 127.085 121.223 -0.017 0.000 2.301 162 L HA 0.433 4.773 4.340 0.000 0.000 0.278 162 L C -2.155 174.733 176.870 0.029 0.000 1.022 162 L CA -2.019 52.823 54.840 0.003 0.000 0.854 162 L CB 1.598 43.657 42.059 -0.000 0.000 1.226 162 L HN 0.242 nan 8.230 nan 0.000 0.429 163 P HA -0.046 nan 4.420 nan 0.000 0.266 163 P C 0.596 177.966 177.300 0.116 0.000 1.195 163 P CA 0.021 63.168 63.100 0.078 0.000 0.768 163 P CB 0.542 32.278 31.700 0.059 0.000 0.838 164 F N 3.893 123.854 119.950 0.019 0.000 2.091 164 F HA -0.303 4.224 4.527 0.000 0.000 0.299 164 F C 1.932 177.748 175.800 0.027 0.000 1.103 164 F CA 2.404 60.421 58.000 0.029 0.000 1.228 164 F CB -0.214 38.802 39.000 0.027 0.000 0.984 164 F HN 0.368 nan 8.300 nan 0.000 0.477 165 D N -0.416 120.136 120.400 0.254 0.000 2.219 165 D HA -0.138 4.503 4.640 0.000 0.000 0.205 165 D C 2.139 178.460 176.300 0.034 0.000 0.970 165 D CA 1.400 55.489 54.000 0.149 0.000 0.851 165 D CB -1.085 39.807 40.800 0.152 0.000 0.943 165 D HN 0.321 nan 8.370 nan 0.000 0.488 166 V N 0.766 120.695 119.914 0.025 0.000 2.453 166 V HA -0.229 3.891 4.120 0.000 0.000 0.247 166 V C 2.742 178.813 176.094 -0.038 0.000 1.048 166 V CA 1.594 63.894 62.300 0.000 0.000 1.049 166 V CB -0.639 31.191 31.823 0.012 0.000 0.672 166 V HN 0.160 nan 8.190 nan 0.000 0.457 167 Q N 0.019 119.774 119.800 -0.076 0.000 2.050 167 Q HA -0.171 4.169 4.340 0.000 0.000 0.202 167 Q C 2.242 178.157 176.000 -0.141 0.000 0.980 167 Q CA 2.221 57.958 55.803 -0.110 0.000 0.840 167 Q CB -0.308 28.334 28.738 -0.160 0.000 0.898 167 Q HN 0.728 nan 8.270 nan 0.000 0.424 168 V N -2.450 117.348 119.914 -0.192 0.000 3.406 168 V HA 0.296 4.416 4.120 0.000 0.000 0.263 168 V C 0.809 176.861 176.094 -0.070 0.000 1.172 168 V CA 0.189 62.394 62.300 -0.159 0.000 1.140 168 V CB -0.750 30.945 31.823 -0.213 0.000 0.784 168 V HN 0.160 nan 8.190 nan 0.000 0.467 169 A N 0.965 123.758 122.820 -0.046 0.000 2.407 169 A HA 0.349 4.669 4.320 0.000 0.000 0.248 169 A C 0.371 177.946 177.584 -0.016 0.000 1.082 169 A CA -0.271 51.756 52.037 -0.016 0.000 0.785 169 A CB -0.075 18.924 19.000 -0.003 0.000 1.020 169 A HN 0.635 nan 8.150 nan 0.000 0.489 170 E N 0.596 120.795 120.200 -0.002 0.000 2.338 170 E HA 0.437 4.787 4.350 0.000 0.000 0.272 170 E C -0.217 176.390 176.600 0.012 0.000 1.029 170 E CA 0.063 56.466 56.400 0.005 0.000 0.872 170 E CB 0.952 30.660 29.700 0.013 0.000 1.015 170 E HN 0.626 nan 8.360 nan 0.000 0.417 171 I N -1.420 119.161 120.570 0.019 0.000 3.042 171 I HA 0.498 4.668 4.170 0.000 0.000 0.310 171 I C -0.669 175.490 176.117 0.069 0.000 1.117 171 I CA -1.152 60.170 61.300 0.037 0.000 1.003 171 I CB 2.176 40.191 38.000 0.025 0.000 1.228 171 I HN 0.336 nan 8.210 nan 0.000 0.443 172 E N 2.442 122.694 120.200 0.086 0.000 2.174 172 E HA 0.503 4.853 4.350 0.000 0.000 0.282 172 E C -2.003 174.714 176.600 0.195 0.000 0.992 172 E CA -0.472 55.989 56.400 0.101 0.000 0.803 172 E CB 1.298 31.034 29.700 0.059 0.000 1.090 172 E HN 0.538 nan 8.360 nan 0.000 0.396 173 F N 4.010 123.943 119.950 -0.028 0.000 2.605 173 F HA 0.241 4.768 4.527 0.000 0.000 0.320 173 F C -1.633 174.117 175.800 -0.083 0.000 1.159 173 F CA -1.001 56.974 58.000 -0.042 0.000 0.999 173 F CB 1.737 40.712 39.000 -0.041 0.000 1.258 173 F HN 0.373 nan 8.300 nan 0.000 0.464 174 D N 8.150 128.190 120.400 -0.599 0.000 2.443 174 D HA 0.339 4.979 4.640 0.000 0.000 0.221 174 D C -1.720 174.109 176.300 -0.786 0.000 1.097 174 D CA -2.010 51.678 54.000 -0.518 0.000 0.865 174 D CB 2.036 42.654 40.800 -0.304 0.000 1.034 174 D HN 0.308 nan 8.370 nan 0.000 0.511 175 P HA -0.050 nan 4.420 nan 0.000 0.221 175 P C 0.078 177.223 177.300 -0.258 0.000 1.150 175 P CA 0.351 63.117 63.100 -0.557 0.000 0.800 175 P CB 0.596 31.843 31.700 -0.755 0.000 0.787 179 E N 7.796 127.562 120.200 -0.723 0.000 2.216 179 E HA 0.542 4.892 4.350 0.000 0.000 0.260 179 E C -2.803 173.394 176.600 -0.672 0.000 0.880 179 E CA -2.494 53.601 56.400 -0.508 0.000 0.765 179 E CB 1.737 31.279 29.700 -0.263 0.000 1.174 179 E HN 0.296 nan 8.360 nan 0.000 0.417 180 P HA 0.013 nan 4.420 nan 0.000 0.265 180 P C -0.456 176.780 177.300 -0.107 0.000 1.193 180 P CA 0.125 63.106 63.100 -0.199 0.000 0.765 180 P CB 0.438 32.116 31.700 -0.037 0.000 0.823 181 L N 4.907 126.115 121.223 -0.026 0.000 2.464 181 L HA 0.262 4.602 4.340 0.000 0.000 0.264 181 L C -1.494 175.426 176.870 0.083 0.000 1.199 181 L CA -1.753 53.088 54.840 0.002 0.000 0.818 181 L CB -0.407 41.646 42.059 -0.009 0.000 1.102 181 L HN 0.321 nan 8.230 nan 0.000 0.473 182 P HA 0.114 nan 4.420 nan 0.000 0.275 182 P C -0.800 176.646 177.300 0.243 0.000 1.228 182 P CA -0.322 62.849 63.100 0.119 0.000 0.786 182 P CB 0.844 32.594 31.700 0.082 0.000 0.927 183 V N 3.693 123.719 119.914 0.186 0.000 2.461 183 V HA 0.043 4.163 4.120 0.000 0.000 0.275 183 V C 0.094 176.291 176.094 0.173 0.000 1.047 183 V CA -0.388 62.015 62.300 0.171 0.000 0.955 183 V CB -0.156 31.715 31.823 0.080 0.000 0.988 183 V HN 0.467 nan 8.190 nan 0.000 0.471 184 Y N 6.304 126.650 120.300 0.076 0.000 2.336 184 Y HA 0.518 5.069 4.550 0.000 0.000 0.335 184 Y C 0.102 176.006 175.900 0.006 0.000 1.046 184 Y CA -0.479 57.660 58.100 0.065 0.000 1.198 184 Y CB 0.514 39.042 38.460 0.114 0.000 1.182 184 Y HN 0.572 nan 8.280 nan 0.000 0.502 185 K N 8.330 128.273 120.400 -0.761 0.000 2.553 185 K HA 0.317 4.638 4.320 0.000 0.000 0.250 185 K C -2.839 173.370 176.600 -0.652 0.000 0.953 185 K CA -1.915 53.950 56.287 -0.703 0.000 0.800 185 K CB 2.030 34.354 32.500 -0.295 0.000 1.243 185 K HN 0.493 nan 8.250 nan 0.000 0.435 186 P HA 0.259 nan 4.420 nan 0.000 0.274 186 P C -1.241 175.968 177.300 -0.152 0.000 1.231 186 P CA -0.502 62.447 63.100 -0.251 0.000 0.790 186 P CB 1.202 32.825 31.700 -0.128 0.000 0.951 187 A N 1.319 124.088 122.820 -0.086 0.000 2.414 187 A HA 0.679 4.999 4.320 0.000 0.000 0.306 187 A C -0.169 177.391 177.584 -0.041 0.000 1.054 187 A CA -0.721 51.278 52.037 -0.063 0.000 0.724 187 A CB 1.411 20.381 19.000 -0.051 0.000 1.267 187 A HN 0.641 nan 8.150 nan 0.000 0.418 188 A N 1.328 124.124 122.820 -0.041 0.000 2.406 188 A HA 0.593 4.914 4.320 0.000 0.000 0.243 188 A C 0.878 178.451 177.584 -0.019 0.000 1.082 188 A CA 0.455 52.474 52.037 -0.030 0.000 0.786 188 A CB -0.137 18.843 19.000 -0.034 0.000 1.029 188 A HN 2.030 nan 8.150 nan 0.000 0.495 189 S N 1.096 116.789 115.700 -0.011 0.000 2.654 189 S HA 0.542 5.013 4.470 0.000 0.000 0.283 189 S C 0.367 174.967 174.600 -0.000 0.000 1.180 189 S CA -0.649 57.548 58.200 -0.004 0.000 1.021 189 S CB 0.904 64.105 63.200 0.001 0.000 1.018 189 S HN 0.980 nan 8.310 nan 0.000 0.532 193 I N 2.052 122.639 120.570 0.028 0.000 2.315 193 I HA -0.149 4.021 4.170 0.000 0.000 0.248 193 I C 1.933 178.094 176.117 0.073 0.000 1.117 193 I CA 1.720 63.049 61.300 0.047 0.000 1.404 193 I CB -0.749 37.261 38.000 0.017 0.000 1.071 193 I HN 0.318 nan 8.210 nan 0.000 0.419 194 E N 0.758 120.991 120.200 0.054 0.000 2.085 194 E HA -0.293 4.058 4.350 0.000 0.000 0.194 194 E C 2.118 178.761 176.600 0.072 0.000 0.994 194 E CA 1.520 57.956 56.400 0.059 0.000 0.801 194 E CB -0.057 29.668 29.700 0.042 0.000 0.743 194 E HN 0.224 nan 8.360 nan 0.000 0.453 195 K N 0.943 121.381 120.400 0.063 0.000 2.057 195 K HA -0.131 4.189 4.320 0.000 0.000 0.207 195 K C 1.840 178.501 176.600 0.102 0.000 1.049 195 K CA 1.398 57.724 56.287 0.065 0.000 0.931 195 K CB -0.301 32.226 32.500 0.045 0.000 0.714 195 K HN 0.112 nan 8.250 nan 0.000 0.440 196 A N -0.075 122.825 122.820 0.133 0.000 1.902 196 A HA -0.094 4.226 4.320 0.000 0.000 0.217 196 A C 2.287 180.073 177.584 0.338 0.000 1.181 196 A CA 1.827 54.010 52.037 0.243 0.000 0.623 196 A CB -0.684 18.480 19.000 0.274 0.000 0.818 196 A HN 0.132 nan 8.150 nan 0.000 0.443 197 V N 0.274 120.332 119.914 0.239 0.000 2.453 197 V HA -0.135 3.985 4.120 0.000 0.000 0.247 197 V C 1.341 177.512 176.094 0.128 0.000 1.048 197 V CA 1.191 63.603 62.300 0.187 0.000 1.049 197 V CB -0.817 31.098 31.823 0.153 0.000 0.672 197 V HN 0.574 nan 8.190 nan 0.000 0.457 201 I N 1.611 122.200 120.570 0.032 0.000 2.361 201 I HA -0.238 3.932 4.170 0.000 0.000 0.251 201 I C 1.917 178.032 176.117 -0.002 0.000 1.133 201 I CA 1.958 63.261 61.300 0.006 0.000 1.413 201 I CB -0.131 37.877 38.000 0.015 0.000 1.073 201 I HN 0.562 nan 8.210 nan 0.000 0.424 202 Q N 1.134 120.938 119.800 0.007 0.000 2.403 202 Q HA 0.277 4.617 4.340 0.000 0.000 0.203 202 Q C 0.694 176.679 176.000 -0.025 0.000 0.932 202 Q CA -0.039 55.760 55.803 -0.007 0.000 0.945 202 Q CB 0.020 28.759 28.738 0.001 0.000 1.045 202 Q HN 0.362 nan 8.270 nan 0.000 0.511 203 A N 1.365 124.168 122.820 -0.028 0.000 2.409 203 A HA 0.116 4.436 4.320 0.000 0.000 0.262 203 A C 0.462 177.972 177.584 -0.122 0.000 1.113 203 A CA -0.429 51.568 52.037 -0.068 0.000 0.790 203 A CB 0.548 19.520 19.000 -0.047 0.000 1.046 203 A HN 0.364 nan 8.150 nan 0.000 0.496 204 E N 1.305 121.401 120.200 -0.175 0.000 2.112 204 E HA -0.035 4.315 4.350 0.000 0.000 0.190 204 E C 0.286 176.631 176.600 -0.426 0.000 0.979 204 E CA 0.775 57.041 56.400 -0.223 0.000 0.814 204 E CB 0.133 29.715 29.700 -0.197 0.000 0.762 204 E HN 0.649 nan 8.360 nan 0.000 0.460 205 R N 0.945 121.062 120.500 -0.639 0.000 2.674 205 R HA 0.207 4.547 4.340 0.000 0.000 0.270 205 R C -2.629 173.143 176.300 -0.880 0.000 1.492 205 R CA -1.300 53.941 56.100 -1.432 0.000 1.624 205 R CB 1.399 30.692 30.300 -1.677 0.000 1.307 205 R HN 0.076 nan 8.270 nan 0.000 0.683 206 P HA 0.234 nan 4.420 nan 0.000 0.281 206 P C -0.442 177.005 177.300 0.245 0.000 1.249 206 P CA -0.340 62.752 63.100 -0.014 0.000 0.810 206 P CB 2.036 33.743 31.700 0.012 0.000 1.008 207 V N 3.564 123.618 119.914 0.235 0.000 2.789 207 V HA 0.361 4.481 4.120 0.000 0.000 0.311 207 V C 0.191 176.430 176.094 0.242 0.000 1.073 207 V CA -0.824 61.632 62.300 0.261 0.000 0.921 207 V CB 2.119 34.103 31.823 0.269 0.000 1.009 207 V HN 0.394 nan 8.190 nan 0.000 0.426 208 I N 4.490 125.183 120.570 0.205 0.000 2.331 208 I HA 0.372 4.542 4.170 0.000 0.000 0.292 208 I C -0.431 175.808 176.117 0.203 0.000 0.998 208 I CA -0.548 60.899 61.300 0.246 0.000 1.267 208 I CB 1.717 39.833 38.000 0.194 0.000 1.386 208 I HN 0.234 nan 8.210 nan 0.000 0.476 209 V N 6.704 126.747 119.914 0.214 0.000 2.333 209 V HA 0.461 4.581 4.120 0.000 0.000 0.274 209 V C 0.404 176.537 176.094 0.064 0.000 1.028 209 V CA -0.508 61.871 62.300 0.132 0.000 0.851 209 V CB 1.193 33.100 31.823 0.141 0.000 1.000 209 V HN 0.812 nan 8.190 nan 0.000 0.456 210 A N 4.458 127.306 122.820 0.046 0.000 2.249 210 A HA 0.810 5.130 4.320 0.000 0.000 0.314 210 A C 0.538 178.109 177.584 -0.021 0.000 1.290 210 A CA 0.044 52.100 52.037 0.032 0.000 0.893 210 A CB 0.679 19.713 19.000 0.056 0.000 1.165 210 A HN 0.903 nan 8.150 nan 0.000 0.530 211 G N 0.711 109.481 108.800 -0.051 0.000 2.552 211 G HA2 0.453 4.413 3.960 0.000 0.000 0.318 211 G HA3 0.453 4.413 3.960 0.000 0.000 0.318 211 G C 0.970 175.850 174.900 -0.034 0.000 1.240 211 G CA -0.050 44.999 45.100 -0.085 0.000 1.002 211 G HN 1.046 nan 8.290 nan 0.000 0.493 212 G N -0.779 108.000 108.800 -0.035 0.000 2.498 212 G HA2 0.062 4.022 3.960 0.000 0.000 0.219 212 G HA3 0.062 4.022 3.960 0.000 0.000 0.219 212 G C 1.587 176.483 174.900 -0.007 0.000 1.119 212 G CA 1.383 46.481 45.100 -0.004 0.000 0.766 212 G HN 0.910 nan 8.290 nan 0.000 0.552 213 G N 0.483 109.270 108.800 -0.022 0.000 2.422 213 G HA2 -0.138 3.823 3.960 0.000 0.000 0.218 213 G HA3 -0.138 3.823 3.960 0.000 0.000 0.218 213 G C 1.719 176.613 174.900 -0.009 0.000 1.146 213 G CA 1.049 46.138 45.100 -0.019 0.000 0.769 213 G HN 0.312 nan 8.290 nan 0.000 0.547 214 V N 1.205 121.118 119.914 -0.001 0.000 2.295 214 V HA -0.170 3.951 4.120 0.000 0.000 0.246 214 V C 2.781 178.883 176.094 0.013 0.000 1.049 214 V CA 1.602 63.907 62.300 0.009 0.000 1.024 214 V CB -0.376 31.460 31.823 0.021 0.000 0.648 214 V HN 0.398 nan 8.190 nan 0.000 0.447 215 I N 0.202 120.784 120.570 0.020 0.000 2.226 215 I HA -0.229 3.941 4.170 0.000 0.000 0.245 215 I C 2.501 178.630 176.117 0.019 0.000 1.100 215 I CA 1.442 62.758 61.300 0.027 0.000 1.374 215 I CB -0.537 37.488 38.000 0.043 0.000 1.057 215 I HN 0.367 nan 8.210 nan 0.000 0.413 216 N N 1.316 120.023 118.700 0.012 0.000 2.166 216 N HA -0.131 4.610 4.740 0.000 0.000 0.186 216 N C 1.698 177.209 175.510 0.001 0.000 1.019 216 N CA 1.680 54.733 53.050 0.006 0.000 0.856 216 N CB 0.010 38.495 38.487 -0.002 0.000 0.993 216 N HN 0.341 nan 8.380 nan 0.000 0.426 217 A N -0.124 122.693 122.820 -0.004 0.000 2.208 217 A HA 0.008 4.328 4.320 0.000 0.000 0.209 217 A C 0.338 177.921 177.584 -0.002 0.000 1.161 217 A CA 0.582 52.613 52.037 -0.009 0.000 0.782 217 A CB -0.055 18.934 19.000 -0.018 0.000 0.816 217 A HN 0.342 nan 8.150 nan 0.000 0.477 218 D N -2.720 117.684 120.400 0.006 0.000 2.716 218 D HA -0.168 4.472 4.640 0.000 0.000 0.239 218 D C 0.284 176.590 176.300 0.009 0.000 1.125 218 D CA 0.991 54.997 54.000 0.010 0.000 0.681 218 D CB -1.386 39.420 40.800 0.010 0.000 1.070 218 D HN 0.595 nan 8.370 nan 0.000 0.432 219 A N -0.549 122.277 122.820 0.010 0.000 2.643 219 A HA 0.711 5.031 4.320 0.000 0.000 0.295 219 A C 1.805 179.400 177.584 0.019 0.000 1.065 219 A CA 0.747 52.791 52.037 0.011 0.000 0.986 219 A CB 0.236 19.238 19.000 0.003 0.000 1.212 219 A HN 0.462 nan 8.150 nan 0.000 0.516 220 A N 0.261 123.093 122.820 0.020 0.000 1.898 220 A HA 0.187 4.508 4.320 0.000 0.000 0.216 220 A C 2.381 179.978 177.584 0.023 0.000 1.181 220 A CA 1.909 53.959 52.037 0.022 0.000 0.620 220 A CB -0.737 18.273 19.000 0.018 0.000 0.819 220 A HN 1.225 nan 8.150 nan 0.000 0.442 221 A N -0.276 122.558 122.820 0.023 0.000 1.908 221 A HA -0.070 4.250 4.320 0.000 0.000 0.218 221 A C 2.171 179.778 177.584 0.038 0.000 1.181 221 A CA 1.576 53.630 52.037 0.029 0.000 0.627 221 A CB -0.618 18.398 19.000 0.026 0.000 0.818 221 A HN 0.472 nan 8.150 nan 0.000 0.445 222 L N -1.214 120.031 121.223 0.037 0.000 2.093 222 L HA -0.133 4.207 4.340 0.000 0.000 0.208 222 L C 2.547 179.466 176.870 0.081 0.000 1.085 222 L CA 1.052 55.922 54.840 0.049 0.000 0.755 222 L CB -0.423 41.652 42.059 0.027 0.000 0.904 222 L HN 0.491 nan 8.230 nan 0.000 0.435 223 L N -0.333 120.931 121.223 0.069 0.000 1.994 223 L HA -0.261 4.079 4.340 0.000 0.000 0.208 223 L C 2.670 179.595 176.870 0.091 0.000 1.071 223 L CA 1.700 56.602 54.840 0.103 0.000 0.745 223 L CB -0.431 41.670 42.059 0.070 0.000 0.892 223 L HN 0.258 nan 8.230 nan 0.000 0.431 224 Q N -0.845 118.970 119.800 0.025 0.000 2.077 224 Q HA -0.325 4.015 4.340 0.000 0.000 0.206 224 Q C 2.341 178.344 176.000 0.005 0.000 0.989 224 Q CA 2.329 58.108 55.803 -0.040 0.000 0.853 224 Q CB -0.265 28.453 28.738 -0.034 0.000 0.907 224 Q HN 0.686 nan 8.270 nan 0.000 0.418 225 Q N -0.737 119.097 119.800 0.058 0.000 2.084 225 Q HA -0.200 4.141 4.340 0.000 0.000 0.202 225 Q C 1.893 177.949 176.000 0.093 0.000 0.978 225 Q CA 1.549 57.395 55.803 0.073 0.000 0.844 225 Q CB -0.198 28.587 28.738 0.078 0.000 0.898 225 Q HN 0.463 nan 8.270 nan 0.000 0.426 226 F N 0.592 120.527 119.950 -0.025 0.000 2.146 226 F HA -0.080 4.447 4.527 0.001 0.000 0.298 226 F C 1.959 177.725 175.800 -0.058 0.000 1.096 226 F CA 1.337 59.313 58.000 -0.041 0.000 1.275 226 F CB -0.577 38.396 39.000 -0.044 0.000 1.008 226 F HN 0.116 nan 8.300 nan 0.000 0.480 227 A N 0.170 122.885 122.820 -0.175 0.000 1.902 227 A HA -0.193 4.127 4.320 0.000 0.000 0.217 227 A C 2.155 179.617 177.584 -0.203 0.000 1.181 227 A CA 1.846 53.725 52.037 -0.262 0.000 0.623 227 A CB -0.915 17.997 19.000 -0.147 0.000 0.818 227 A HN 0.538 nan 8.150 nan 0.000 0.443 228 E N -0.267 119.874 120.200 -0.099 0.000 2.051 228 E HA -0.163 4.188 4.350 0.000 0.000 0.192 228 E C 1.953 178.513 176.600 -0.067 0.000 0.991 228 E CA 1.237 57.622 56.400 -0.026 0.000 0.799 228 E CB -0.299 29.430 29.700 0.047 0.000 0.748 228 E HN 0.607 nan 8.360 nan 0.000 0.449 229 L N 0.574 121.740 121.223 -0.095 0.000 2.083 229 L HA -0.153 4.187 4.340 0.000 0.000 0.209 229 L C 2.615 179.393 176.870 -0.154 0.000 1.083 229 L CA 1.578 56.363 54.840 -0.092 0.000 0.752 229 L CB -0.411 41.620 42.059 -0.046 0.000 0.899 229 L HN 0.315 nan 8.230 nan 0.000 0.433 230 T N -5.697 108.679 114.554 -0.296 0.000 3.044 230 T HA 0.034 4.384 4.350 0.000 0.000 0.250 230 T C 1.104 175.688 174.700 -0.193 0.000 1.081 230 T CA 0.484 62.399 62.100 -0.308 0.000 1.040 230 T CB 0.377 68.892 68.868 -0.588 0.000 0.962 230 T HN 0.187 nan 8.240 nan 0.000 0.506 231 S N 0.063 115.672 115.700 -0.152 0.000 3.682 231 S HA -0.133 4.337 4.470 0.000 0.000 0.354 231 S C -0.075 174.496 174.600 -0.048 0.000 1.034 231 S CA 0.304 58.460 58.200 -0.073 0.000 1.084 231 S CB -2.069 61.111 63.200 -0.033 0.000 0.903 231 S HN 0.554 nan 8.310 nan 0.000 0.470 232 V N 2.844 122.696 119.914 -0.102 0.000 2.370 232 V HA 0.466 4.586 4.120 0.000 0.000 0.283 232 V C -1.854 174.232 176.094 -0.014 0.000 1.023 232 V CA -1.779 60.501 62.300 -0.034 0.000 0.857 232 V CB 1.611 33.359 31.823 -0.124 0.000 0.985 232 V HN 0.274 nan 8.190 nan 0.000 0.443 233 P HA 0.132 nan 4.420 nan 0.000 0.267 233 P C -0.733 176.586 177.300 0.030 0.000 1.200 233 P CA 0.055 63.151 63.100 -0.006 0.000 0.772 233 P CB 0.568 32.225 31.700 -0.071 0.000 0.855 234 V N 4.553 124.471 119.914 0.007 0.000 2.459 234 V HA 0.327 4.447 4.120 0.000 0.000 0.295 234 V C 0.126 176.249 176.094 0.049 0.000 1.029 234 V CA -0.465 61.854 62.300 0.031 0.000 0.874 234 V CB 1.488 33.306 31.823 -0.010 0.000 0.985 234 V HN 0.365 nan 8.190 nan 0.000 0.438 235 I N 7.304 127.923 120.570 0.081 0.000 2.359 235 I HA 0.373 4.543 4.170 0.000 0.000 0.284 235 I C -2.378 173.778 176.117 0.065 0.000 1.018 235 I CA -2.340 59.010 61.300 0.083 0.000 1.173 235 I CB 1.728 39.806 38.000 0.131 0.000 1.326 235 I HN 0.393 nan 8.210 nan 0.000 0.462 236 P HA 0.168 nan 4.420 nan 0.000 0.278 236 P C 0.185 177.462 177.300 -0.039 0.000 1.238 236 P CA -0.036 63.073 63.100 0.015 0.000 0.794 236 P CB 0.832 32.571 31.700 0.065 0.000 0.955 237 T N 0.904 115.418 114.554 -0.067 0.000 2.726 237 T HA 0.181 4.531 4.350 0.000 0.000 0.294 237 T C 0.804 175.445 174.700 -0.099 0.000 1.013 237 T CA -0.619 61.410 62.100 -0.118 0.000 0.996 237 T CB 0.114 68.846 68.868 -0.227 0.000 1.016 237 T HN 0.233 nan 8.240 nan 0.000 0.529 241 W N 2.261 123.532 121.300 -0.048 0.000 2.443 241 W HA 0.410 5.070 4.660 0.000 0.000 0.335 241 W C 1.208 177.712 176.519 -0.024 0.000 1.382 241 W CA 1.556 58.847 57.345 -0.091 0.000 1.305 241 W CB 0.049 29.360 29.460 -0.248 0.000 1.283 241 W HN 0.993 nan 8.180 nan 0.000 0.567 242 G N 2.646 111.510 108.800 0.107 0.000 2.253 242 G HA2 -0.338 3.622 3.960 0.000 0.000 0.209 242 G HA3 -0.338 3.622 3.960 0.000 0.000 0.209 242 G C 1.112 176.012 174.900 -0.001 0.000 0.997 242 G CA 0.230 45.293 45.100 -0.062 0.000 0.640 242 G HN 1.225 nan 8.290 nan 0.000 0.496 243 C N 0.009 119.337 119.300 0.046 0.000 2.472 243 C HA 0.717 5.177 4.460 0.000 0.000 0.278 243 C C 1.166 176.164 174.990 0.013 0.000 1.447 243 C CA 0.141 59.178 59.018 0.031 0.000 1.773 243 C CB -0.815 26.951 27.740 0.042 0.000 1.793 243 C HN 0.636 nan 8.230 nan 0.000 0.544 244 I N 1.160 121.737 120.570 0.011 0.000 2.582 244 I HA 0.504 4.674 4.170 0.000 0.000 0.292 244 I C -2.613 173.510 176.117 0.011 0.000 1.066 244 I CA -2.618 58.667 61.300 -0.025 0.000 1.053 244 I CB 2.282 40.218 38.000 -0.107 0.000 1.241 244 I HN -0.139 nan 8.210 nan 0.000 0.421 245 P HA 0.148 nan 4.420 nan 0.000 0.268 245 P C -0.427 176.905 177.300 0.054 0.000 1.205 245 P CA 0.005 63.150 63.100 0.075 0.000 0.771 245 P CB 0.608 32.421 31.700 0.188 0.000 0.858 246 D N 0.986 121.309 120.400 -0.128 0.000 2.218 246 D HA -0.155 4.485 4.640 0.000 0.000 0.204 246 D C 1.051 177.322 176.300 -0.048 0.000 0.976 246 D CA 1.324 55.237 54.000 -0.145 0.000 0.853 246 D CB -0.284 40.269 40.800 -0.412 0.000 0.939 246 D HN 0.520 nan 8.370 nan 0.000 0.481 247 D N -1.176 119.291 120.400 0.112 0.000 2.340 247 D HA -0.120 4.520 4.640 0.000 0.000 0.220 247 D C 0.682 177.022 176.300 0.066 0.000 1.039 247 D CA -0.114 53.943 54.000 0.096 0.000 0.866 247 D CB -0.698 40.203 40.800 0.168 0.000 0.913 247 D HN 0.207 nan 8.370 nan 0.000 0.523 248 H N 1.754 120.830 119.070 0.010 0.000 2.815 248 H HA -0.010 4.546 4.556 0.000 0.000 0.350 248 H C 1.140 176.444 175.328 -0.040 0.000 1.080 248 H CA 0.768 56.813 56.048 -0.006 0.000 1.433 248 H CB 1.206 30.969 29.762 0.001 0.000 1.432 248 H HN 0.259 nan 8.280 nan 0.000 0.592 249 E N 3.910 124.096 120.200 -0.023 0.000 2.268 249 E HA -0.034 4.316 4.350 0.000 0.000 0.195 249 E C 0.423 177.070 176.600 0.079 0.000 0.995 249 E CA 0.567 56.967 56.400 -0.001 0.000 0.836 249 E CB 0.392 30.047 29.700 -0.075 0.000 0.763 249 E HN 0.354 nan 8.360 nan 0.000 0.491 256 G N 1.697 110.355 108.800 -0.237 0.000 2.352 256 G HA2 0.256 4.216 3.960 0.000 0.000 0.283 256 G HA3 0.256 4.216 3.960 0.000 0.000 0.283 256 G C -0.417 174.405 174.900 -0.131 0.000 1.308 256 G CA -0.211 44.778 45.100 -0.186 0.000 0.892 256 G HN 0.782 nan 8.290 nan 0.000 0.504 257 L N -0.320 120.846 121.223 -0.095 0.000 2.416 257 L HA 0.280 4.620 4.340 0.000 0.000 0.216 257 L C 2.361 179.192 176.870 -0.066 0.000 1.098 257 L CA 1.015 55.816 54.840 -0.065 0.000 0.840 257 L CB 0.089 42.124 42.059 -0.039 0.000 0.981 257 L HN 0.635 nan 8.230 nan 0.000 0.462 258 Q N -0.978 118.767 119.800 -0.091 0.000 2.361 258 Q HA 0.048 4.389 4.340 0.000 0.000 0.182 258 Q C 0.797 176.703 176.000 -0.157 0.000 0.650 258 Q CA 0.466 56.214 55.803 -0.091 0.000 0.842 258 Q CB 0.698 29.399 28.738 -0.061 0.000 1.211 258 Q HN 0.301 nan 8.270 nan 0.000 0.502 259 T N -0.080 114.360 114.554 -0.190 0.000 4.313 259 T HA 0.697 5.047 4.350 0.000 0.000 0.272 259 T C -0.237 174.193 174.700 -0.451 0.000 1.298 259 T CA -0.033 61.885 62.100 -0.304 0.000 1.124 259 T CB 0.016 68.721 68.868 -0.271 0.000 1.352 259 T HN 0.311 nan 8.240 nan 0.000 1.013 260 A N 2.153 124.683 122.820 -0.482 0.000 2.593 260 A HA 0.724 5.044 4.320 0.000 0.000 0.290 260 A C -0.927 176.247 177.584 -0.684 0.000 1.126 260 A CA -1.071 50.620 52.037 -0.576 0.000 0.695 260 A CB 1.154 19.950 19.000 -0.341 0.000 1.290 260 A HN 0.697 nan 8.150 nan 0.000 0.414 261 H N 0.098 118.908 119.070 -0.434 0.000 2.533 261 H HA 0.415 4.971 4.556 0.000 0.000 0.343 261 H C 0.680 175.717 175.328 -0.484 0.000 1.160 261 H CA -0.517 55.165 56.048 -0.610 0.000 1.218 261 H CB 1.508 30.504 29.762 -1.276 0.000 1.566 261 H HN 0.750 nan 8.280 nan 0.000 0.522 262 R N 0.598 120.948 120.500 -0.250 0.000 2.092 262 R HA -0.144 4.197 4.340 0.000 0.000 0.231 262 R C 1.851 178.111 176.300 -0.066 0.000 1.119 262 R CA 1.803 57.837 56.100 -0.110 0.000 0.970 262 R CB -0.304 29.989 30.300 -0.011 0.000 0.864 262 R HN 0.621 nan 8.270 nan 0.000 0.440 263 Y N -1.019 119.296 120.300 0.025 0.000 2.242 263 Y HA 0.138 4.688 4.550 0.000 0.000 0.291 263 Y C 2.337 178.227 175.900 -0.015 0.000 1.137 263 Y CA 0.632 58.723 58.100 -0.014 0.000 1.181 263 Y CB -1.261 37.168 38.460 -0.052 0.000 0.989 263 Y HN -0.074 nan 8.280 nan 0.000 0.527 264 G N 1.009 109.761 108.800 -0.080 0.000 2.459 264 G HA2 -0.348 3.613 3.960 0.000 0.000 0.217 264 G HA3 -0.348 3.613 3.960 0.000 0.000 0.217 264 G C 1.404 176.286 174.900 -0.030 0.000 1.183 264 G CA 1.356 46.445 45.100 -0.019 0.000 0.776 264 G HN 0.395 nan 8.290 nan 0.000 0.552 265 N N 1.062 119.717 118.700 -0.076 0.000 2.166 265 N HA -0.026 4.714 4.740 0.000 0.000 0.186 265 N C 2.381 177.879 175.510 -0.020 0.000 1.019 265 N CA 1.323 54.337 53.050 -0.061 0.000 0.856 265 N CB -0.443 37.998 38.487 -0.076 0.000 0.993 265 N HN 0.333 nan 8.380 nan 0.000 0.426 266 A N -0.299 122.524 122.820 0.005 0.000 1.929 266 A HA -0.059 4.261 4.320 0.000 0.000 0.216 266 A C 2.318 179.936 177.584 0.058 0.000 1.176 266 A CA 1.697 53.752 52.037 0.030 0.000 0.628 266 A CB -0.958 18.067 19.000 0.041 0.000 0.816 266 A HN 0.260 nan 8.150 nan 0.000 0.444 267 T N 0.150 114.738 114.554 0.057 0.000 2.708 267 T HA -0.135 4.215 4.350 0.000 0.000 0.266 267 T C 1.870 176.669 174.700 0.166 0.000 1.037 267 T CA 1.551 63.699 62.100 0.080 0.000 1.146 267 T CB -0.370 68.499 68.868 0.000 0.000 0.865 267 T HN 0.373 nan 8.240 nan 0.000 0.435 268 L N 0.598 121.868 121.223 0.078 0.000 2.046 268 L HA 0.011 4.351 4.340 0.000 0.000 0.208 268 L C 2.168 179.030 176.870 -0.013 0.000 1.077 268 L CA 1.417 56.273 54.840 0.026 0.000 0.747 268 L CB -0.320 41.704 42.059 -0.059 0.000 0.896 268 L HN 0.243 nan 8.230 nan 0.000 0.432 269 L N -0.589 120.628 121.223 -0.010 0.000 2.265 269 L HA -0.142 4.198 4.340 0.000 0.000 0.215 269 L C 2.517 179.401 176.870 0.023 0.000 1.117 269 L CA 0.851 55.681 54.840 -0.017 0.000 0.782 269 L CB -0.704 41.348 42.059 -0.012 0.000 0.914 269 L HN 0.366 nan 8.230 nan 0.000 0.441 270 A N -0.524 122.358 122.820 0.103 0.000 2.081 270 A HA 0.012 4.332 4.320 0.000 0.000 0.214 270 A C 1.482 179.116 177.584 0.085 0.000 1.158 270 A CA 0.529 52.657 52.037 0.153 0.000 0.724 270 A CB -0.245 18.938 19.000 0.304 0.000 0.826 270 A HN 0.426 nan 8.150 nan 0.000 0.463 271 S N 0.977 116.740 115.700 0.105 0.000 2.584 271 S HA 0.359 4.829 4.470 0.000 0.000 0.270 271 S C -0.205 174.297 174.600 -0.163 0.000 1.346 271 S CA -0.049 58.102 58.200 -0.083 0.000 1.018 271 S CB 0.666 63.922 63.200 0.094 0.000 0.899 271 S HN 0.508 nan 8.310 nan 0.000 0.542 275 F N 3.961 124.015 119.950 0.172 0.000 2.351 275 F HA 0.693 5.220 4.527 0.000 0.000 0.362 275 F C 1.017 176.921 175.800 0.172 0.000 1.131 275 F CA -0.144 57.962 58.000 0.176 0.000 1.187 275 F CB 0.911 40.020 39.000 0.182 0.000 1.434 275 F HN 0.610 nan 8.300 nan 0.000 0.553 276 G N 7.176 116.050 108.800 0.123 0.000 2.338 276 G HA2 0.468 4.428 3.960 0.000 0.000 0.295 276 G HA3 0.468 4.428 3.960 0.000 0.000 0.295 276 G C -0.650 174.289 174.900 0.066 0.000 1.132 276 G CA -0.422 44.723 45.100 0.076 0.000 0.922 276 G HN 0.617 nan 8.290 nan 0.000 0.427 277 I N 2.328 122.948 120.570 0.083 0.000 2.411 277 I HA 0.385 4.555 4.170 0.000 0.000 0.284 277 I C 1.035 177.164 176.117 0.020 0.000 1.012 277 I CA -0.431 60.916 61.300 0.079 0.000 1.119 277 I CB 1.766 39.854 38.000 0.147 0.000 1.261 277 I HN 0.768 nan 8.210 nan 0.000 0.448 278 G N 4.145 112.949 108.800 0.006 0.000 2.153 278 G HA2 -0.262 3.698 3.960 0.000 0.000 0.252 278 G HA3 -0.262 3.698 3.960 0.000 0.000 0.252 278 G C -0.096 174.767 174.900 -0.061 0.000 0.994 278 G CA 0.273 45.361 45.100 -0.020 0.000 0.698 278 G HN 0.767 nan 8.290 nan 0.000 0.521 279 N N -0.379 118.251 118.700 -0.116 0.000 2.443 279 N HA 0.680 5.420 4.740 0.000 0.000 0.293 279 N C 0.379 175.728 175.510 -0.268 0.000 1.159 279 N CA -0.648 52.233 53.050 -0.282 0.000 0.904 279 N CB 1.139 39.313 38.487 -0.522 0.000 1.214 279 N HN 0.677 nan 8.380 nan 0.000 0.513 280 R N -0.865 119.446 120.500 -0.315 0.000 2.810 280 R HA 0.531 4.871 4.340 0.000 0.000 0.245 280 R C -0.858 175.125 176.300 -0.528 0.000 1.168 280 R CA -0.742 55.203 56.100 -0.259 0.000 1.096 280 R CB 0.481 30.740 30.300 -0.069 0.000 1.259 280 R HN 0.392 nan 8.270 nan 0.000 0.518 281 F N 0.815 120.636 119.950 -0.216 0.000 2.334 281 F HA 0.388 4.915 4.527 0.000 0.000 0.343 281 F C 0.370 176.049 175.800 -0.202 0.000 1.136 281 F CA -0.608 57.228 58.000 -0.273 0.000 1.237 281 F CB 1.172 39.988 39.000 -0.307 0.000 1.525 281 F HN 0.703 nan 8.300 nan 0.000 0.528 282 A N 1.844 124.615 122.820 -0.082 0.000 2.498 282 A HA -0.003 4.318 4.320 0.000 0.000 0.239 282 A C 1.806 179.387 177.584 -0.005 0.000 1.068 282 A CA 0.153 52.166 52.037 -0.039 0.000 0.766 282 A CB 0.053 19.015 19.000 -0.063 0.000 1.003 282 A HN 0.852 nan 8.150 nan 0.000 0.497 283 N N 1.805 120.499 118.700 -0.010 0.000 2.089 283 N HA -0.258 4.482 4.740 0.000 0.000 0.198 283 N C 1.335 176.838 175.510 -0.011 0.000 1.017 283 N CA 2.002 55.045 53.050 -0.011 0.000 0.880 283 N CB -0.094 38.390 38.487 -0.004 0.000 1.042 283 N HN 0.758 nan 8.380 nan 0.000 0.446 284 R N -1.449 119.049 120.500 -0.004 0.000 2.300 284 R HA -0.029 4.311 4.340 0.000 0.000 0.199 284 R C 1.540 177.839 176.300 -0.002 0.000 0.920 284 R CA 0.279 56.373 56.100 -0.011 0.000 1.046 284 R CB -0.161 30.127 30.300 -0.019 0.000 0.984 284 R HN 0.504 nan 8.270 nan 0.000 0.493 285 H N 0.592 119.608 119.070 -0.090 0.000 2.384 285 H HA -0.014 4.542 4.556 0.000 0.000 0.300 285 H C 2.081 177.364 175.328 -0.076 0.000 1.057 285 H CA 2.035 58.030 56.048 -0.088 0.000 1.370 285 H CB 0.404 30.097 29.762 -0.116 0.000 1.417 285 H HN 0.097 nan 8.280 nan 0.000 0.527 286 T N -3.160 111.316 114.554 -0.130 0.000 3.010 286 T HA 0.348 4.699 4.350 0.000 0.000 0.252 286 T C 1.518 176.202 174.700 -0.025 0.000 1.047 286 T CA 0.595 62.543 62.100 -0.252 0.000 1.140 286 T CB -0.323 68.281 68.868 -0.439 0.000 0.885 286 T HN 0.648 nan 8.240 nan 0.000 0.464 287 G N 1.358 110.138 108.800 -0.033 0.000 2.528 287 G HA2 -0.244 3.716 3.960 0.000 0.000 0.262 287 G HA3 -0.244 3.716 3.960 0.000 0.000 0.262 287 G C -0.047 174.851 174.900 -0.004 0.000 1.200 287 G CA -0.153 44.942 45.100 -0.007 0.000 0.951 287 G HN 0.793 nan 8.290 nan 0.000 0.566 288 S N 0.132 115.838 115.700 0.011 0.000 2.515 288 S HA 0.266 4.736 4.470 0.000 0.000 0.285 288 S C 1.699 176.315 174.600 0.027 0.000 1.265 288 S CA 0.112 58.318 58.200 0.010 0.000 1.079 288 S CB 1.447 64.653 63.200 0.011 0.000 0.877 288 S HN 1.055 nan 8.310 nan 0.000 0.493 289 V N 4.121 124.037 119.914 0.003 0.000 2.392 289 V HA -0.219 3.901 4.120 0.000 0.000 0.249 289 V C 2.035 178.149 176.094 0.034 0.000 1.059 289 V CA 1.963 64.264 62.300 0.002 0.000 1.051 289 V CB -0.674 31.122 31.823 -0.045 0.000 0.658 289 V HN 0.754 nan 8.190 nan 0.000 0.455 290 E N -0.081 120.128 120.200 0.015 0.000 2.085 290 E HA -0.216 4.134 4.350 0.000 0.000 0.194 290 E C 2.242 178.854 176.600 0.019 0.000 0.994 290 E CA 1.281 57.686 56.400 0.009 0.000 0.801 290 E CB -0.230 29.471 29.700 0.001 0.000 0.743 290 E HN 0.548 nan 8.360 nan 0.000 0.453 291 K N -0.520 119.901 120.400 0.034 0.000 2.103 291 K HA -0.102 4.218 4.320 0.000 0.000 0.204 291 K C 2.077 178.706 176.600 0.049 0.000 1.052 291 K CA 0.925 57.231 56.287 0.030 0.000 0.945 291 K CB -0.195 32.322 32.500 0.029 0.000 0.722 291 K HN 0.160 nan 8.250 nan 0.000 0.443 292 Y N 2.026 122.300 120.300 -0.045 0.000 2.274 292 Y HA -0.219 4.332 4.550 0.000 0.000 0.290 292 Y C 2.203 178.071 175.900 -0.053 0.000 1.145 292 Y CA 1.872 59.946 58.100 -0.045 0.000 1.203 292 Y CB -0.003 38.432 38.460 -0.042 0.000 0.984 292 Y HN 0.103 nan 8.280 nan 0.000 0.533 293 T N -2.752 111.827 114.554 0.041 0.000 3.040 293 T HA 0.067 4.417 4.350 0.000 0.000 0.250 293 T C 0.576 175.244 174.700 -0.053 0.000 1.058 293 T CA -0.280 61.802 62.100 -0.030 0.000 0.988 293 T CB -0.290 68.568 68.868 -0.018 0.000 0.993 293 T HN 0.280 nan 8.240 nan 0.000 0.519 294 E N 1.620 121.793 120.200 -0.044 0.000 2.585 294 E HA 0.268 4.618 4.350 0.000 0.000 0.252 294 E C 1.071 177.639 176.600 -0.053 0.000 0.981 294 E CA 0.693 57.068 56.400 -0.041 0.000 0.943 294 E CB -0.431 29.250 29.700 -0.033 0.000 0.923 294 E HN 0.615 nan 8.360 nan 0.000 0.486 295 G N 4.360 113.133 108.800 -0.046 0.000 2.273 295 G HA2 -0.329 3.632 3.960 0.000 0.000 0.280 295 G HA3 -0.329 3.632 3.960 0.000 0.000 0.280 295 G C 0.073 174.937 174.900 -0.060 0.000 1.047 295 G CA 0.793 45.864 45.100 -0.049 0.000 0.869 295 G HN 0.570 nan 8.290 nan 0.000 0.502 296 R N -0.733 119.732 120.500 -0.059 0.000 2.548 296 R HA 0.450 4.791 4.340 0.000 0.000 0.280 296 R C -0.130 176.143 176.300 -0.044 0.000 1.061 296 R CA -0.878 55.183 56.100 -0.065 0.000 0.915 296 R CB 1.179 31.422 30.300 -0.094 0.000 1.210 296 R HN 0.178 nan 8.270 nan 0.000 0.442 297 K N 3.332 123.716 120.400 -0.027 0.000 2.118 297 K HA 0.439 4.759 4.320 0.000 0.000 0.264 297 K C -0.346 176.260 176.600 0.011 0.000 1.000 297 K CA -0.551 55.733 56.287 -0.006 0.000 0.929 297 K CB 0.925 33.431 32.500 0.010 0.000 1.021 297 K HN 0.313 nan 8.250 nan 0.000 0.463 298 I N 2.833 123.407 120.570 0.007 0.000 2.447 298 I HA 0.258 4.428 4.170 0.000 0.000 0.287 298 I C -0.434 175.696 176.117 0.020 0.000 1.023 298 I CA -0.816 60.498 61.300 0.022 0.000 1.083 298 I CB 1.492 39.465 38.000 -0.045 0.000 1.245 298 I HN 0.247 nan 8.210 nan 0.000 0.434 299 V N 5.934 125.847 119.914 -0.002 0.000 2.581 299 V HA 0.440 4.561 4.120 0.000 0.000 0.303 299 V C -0.423 175.660 176.094 -0.018 0.000 1.041 299 V CA -0.566 61.655 62.300 -0.131 0.000 0.907 299 V CB 2.146 33.670 31.823 -0.500 0.000 0.994 299 V HN 0.721 nan 8.190 nan 0.000 0.442 300 H N 4.630 123.635 119.070 -0.107 0.000 3.013 300 H HA 0.580 5.136 4.556 0.000 0.000 0.326 300 H C -1.407 173.873 175.328 -0.080 0.000 0.973 300 H CA -0.781 55.258 56.048 -0.014 0.000 1.369 300 H CB 1.379 31.230 29.762 0.150 0.000 1.598 300 H HN 0.567 nan 8.280 nan 0.000 0.518 301 I N 5.321 125.894 120.570 0.005 0.000 2.355 301 I HA 0.235 4.406 4.170 0.000 0.000 0.288 301 I C -0.517 175.517 176.117 -0.138 0.000 0.999 301 I CA -0.288 60.942 61.300 -0.117 0.000 1.163 301 I CB 1.488 39.440 38.000 -0.080 0.000 1.316 301 I HN 0.547 nan 8.210 nan 0.000 0.454 302 D N 4.932 125.188 120.400 -0.240 0.000 2.661 302 D HA 0.301 4.941 4.640 0.000 0.000 0.228 302 D C 0.400 176.620 176.300 -0.133 0.000 1.183 302 D CA -0.546 53.340 54.000 -0.189 0.000 0.844 302 D CB 3.117 43.739 40.800 -0.298 0.000 1.555 302 D HN 0.492 nan 8.370 nan 0.000 0.453 303 I N 1.236 121.751 120.570 -0.091 0.000 2.676 303 I HA -0.099 4.071 4.170 0.000 0.000 0.259 303 I C 0.309 176.393 176.117 -0.056 0.000 1.194 303 I CA 0.880 62.132 61.300 -0.079 0.000 1.473 303 I CB 0.356 38.311 38.000 -0.075 0.000 1.096 303 I HN 0.247 nan 8.210 nan 0.000 0.443 304 E N 0.617 120.786 120.200 -0.052 0.000 2.092 304 E HA 0.231 4.582 4.350 0.000 0.000 0.271 304 E C -1.842 174.737 176.600 -0.037 0.000 0.919 304 E CA -2.391 53.996 56.400 -0.022 0.000 0.760 304 E CB 1.332 31.027 29.700 -0.009 0.000 1.106 304 E HN -0.020 nan 8.360 nan 0.000 0.408 305 P HA -0.199 nan 4.420 nan 0.000 0.216 305 P C 0.810 178.101 177.300 -0.015 0.000 1.157 305 P CA 1.816 64.903 63.100 -0.021 0.000 0.880 305 P CB 0.044 31.747 31.700 0.004 0.000 0.791 306 T N -4.088 110.467 114.554 0.002 0.000 3.160 306 T HA 0.006 4.356 4.350 0.000 0.000 0.257 306 T C 1.467 176.182 174.700 0.025 0.000 1.147 306 T CA 0.423 62.531 62.100 0.014 0.000 1.064 306 T CB -0.526 68.353 68.868 0.018 0.000 0.949 306 T HN 0.058 nan 8.240 nan 0.000 0.526 307 Q N 0.423 120.234 119.800 0.018 0.000 2.408 307 Q HA 0.337 4.677 4.340 0.000 0.000 0.205 307 Q C 0.568 176.639 176.000 0.117 0.000 0.919 307 Q CA 0.247 56.086 55.803 0.059 0.000 0.932 307 Q CB 0.336 29.100 28.738 0.042 0.000 1.058 307 Q HN 0.635 nan 8.270 nan 0.000 0.517 308 I N 0.635 121.218 120.570 0.023 0.000 2.301 308 I HA 0.242 4.412 4.170 0.000 0.000 0.292 308 I C 0.804 176.980 176.117 0.097 0.000 1.046 308 I CA 0.010 61.335 61.300 0.042 0.000 1.282 308 I CB 0.827 38.755 38.000 -0.121 0.000 1.409 308 I HN 0.236 nan 8.210 nan 0.000 0.484 309 G N 5.055 113.951 108.800 0.160 0.000 2.176 309 G HA2 -0.275 3.685 3.960 0.000 0.000 0.232 309 G HA3 -0.275 3.685 3.960 0.000 0.000 0.232 309 G C 1.123 176.063 174.900 0.066 0.000 0.986 309 G CA 0.300 45.451 45.100 0.086 0.000 0.643 309 G HN 0.664 nan 8.290 nan 0.000 0.522 310 R N -0.308 120.246 120.500 0.090 0.000 2.090 310 R HA 0.282 4.622 4.340 0.000 0.000 0.228 310 R C 2.200 178.529 176.300 0.048 0.000 1.110 310 R CA 2.111 58.250 56.100 0.065 0.000 0.973 310 R CB -0.068 30.278 30.300 0.076 0.000 0.869 310 R HN 0.413 nan 8.270 nan 0.000 0.440 311 V N 0.798 120.745 119.914 0.055 0.000 3.151 311 V HA 0.201 4.322 4.120 0.000 0.000 0.241 311 V C 0.128 176.205 176.094 -0.029 0.000 1.173 311 V CA 0.384 62.695 62.300 0.018 0.000 1.154 311 V CB 0.852 32.696 31.823 0.036 0.000 0.898 311 V HN 0.254 nan 8.190 nan 0.000 0.473 312 L N -2.131 119.060 121.223 -0.054 0.000 2.415 312 L HA 0.601 4.941 4.340 0.000 0.000 0.256 312 L C -1.020 175.814 176.870 -0.059 0.000 1.010 312 L CA -0.484 54.297 54.840 -0.099 0.000 0.826 312 L CB 0.841 42.770 42.059 -0.216 0.000 1.405 312 L HN 0.027 nan 8.230 nan 0.000 0.410 313 C N 4.291 123.561 119.300 -0.049 0.000 2.281 313 C HA 0.685 5.145 4.460 0.000 0.000 0.336 313 C C -1.681 173.293 174.990 -0.028 0.000 1.217 313 C CA -0.743 58.264 59.018 -0.018 0.000 1.730 313 C CB -0.080 27.653 27.740 -0.013 0.000 2.338 313 C HN 0.746 nan 8.230 nan 0.000 0.521 314 P HA 0.243 nan 4.420 nan 0.000 0.277 314 P C 0.319 177.622 177.300 0.006 0.000 1.240 314 P CA 0.065 63.172 63.100 0.011 0.000 0.798 314 P CB 0.883 32.642 31.700 0.098 0.000 0.979 315 D N 0.203 120.602 120.400 -0.001 0.000 2.178 315 D HA -0.105 4.535 4.640 0.000 0.000 0.202 315 D C 1.249 177.551 176.300 0.003 0.000 0.974 315 D CA 1.267 55.267 54.000 -0.000 0.000 0.841 315 D CB 0.297 41.098 40.800 0.001 0.000 0.953 315 D HN 0.183 nan 8.370 nan 0.000 0.478 316 L N -0.671 120.552 121.223 0.001 0.000 2.919 316 L HA 0.341 4.682 4.340 0.000 0.000 0.169 316 L C 0.033 176.898 176.870 -0.009 0.000 1.228 316 L CA 1.596 56.431 54.840 -0.008 0.000 0.862 316 L CB -0.370 41.674 42.059 -0.025 0.000 1.313 316 L HN 0.125 nan 8.230 nan 0.000 0.526 317 G N 1.554 110.346 108.800 -0.013 0.000 3.445 317 G HA2 -0.151 3.809 3.960 0.000 0.000 0.634 317 G HA3 -0.151 3.809 3.960 0.000 0.000 0.634 317 G C -0.764 174.099 174.900 -0.061 0.000 0.909 317 G CA 0.193 45.278 45.100 -0.025 0.000 0.740 317 G HN 0.409 nan 8.290 nan 0.000 0.441 318 I N 1.867 122.377 120.570 -0.099 0.000 2.533 318 I HA 0.381 4.552 4.170 0.000 0.000 0.290 318 I C 0.412 176.463 176.117 -0.110 0.000 1.056 318 I CA -1.308 59.940 61.300 -0.087 0.000 1.057 318 I CB 2.370 40.325 38.000 -0.076 0.000 1.240 318 I HN 0.309 nan 8.210 nan 0.000 0.423 319 V N 4.794 124.660 119.914 -0.080 0.000 2.389 319 V HA 0.498 4.619 4.120 0.000 0.000 0.264 319 V C 0.100 176.151 176.094 -0.071 0.000 1.049 319 V CA 0.129 62.381 62.300 -0.079 0.000 0.932 319 V CB 0.771 32.567 31.823 -0.046 0.000 1.011 319 V HN 0.780 nan 8.190 nan 0.000 0.475 320 S N 2.967 118.616 115.700 -0.086 0.000 2.558 320 S HA 0.276 4.746 4.470 0.000 0.000 0.277 320 S C -1.143 173.403 174.600 -0.089 0.000 1.143 320 S CA -0.868 57.282 58.200 -0.084 0.000 0.865 320 S CB 1.637 64.795 63.200 -0.070 0.000 1.102 320 S HN 0.938 nan 8.310 nan 0.000 0.454 321 D N 2.334 122.675 120.400 -0.099 0.000 2.443 321 D HA 0.465 5.105 4.640 0.000 0.000 0.239 321 D C 1.233 177.494 176.300 -0.065 0.000 1.136 321 D CA 0.657 54.605 54.000 -0.088 0.000 0.879 321 D CB 1.071 41.811 40.800 -0.099 0.000 1.195 321 D HN 0.607 nan 8.370 nan 0.000 0.443 322 A N 3.817 126.607 122.820 -0.051 0.000 1.968 322 A HA -0.098 4.222 4.320 0.000 0.000 0.217 322 A C 1.968 179.530 177.584 -0.036 0.000 1.169 322 A CA 1.296 53.310 52.037 -0.038 0.000 0.638 322 A CB -0.426 18.560 19.000 -0.023 0.000 0.812 322 A HN 0.695 nan 8.150 nan 0.000 0.446 323 K N -0.181 120.198 120.400 -0.034 0.000 2.062 323 K HA 0.007 4.327 4.320 0.000 0.000 0.205 323 K C 2.141 178.720 176.600 -0.035 0.000 1.051 323 K CA 1.104 57.374 56.287 -0.028 0.000 0.941 323 K CB -0.306 32.181 32.500 -0.022 0.000 0.719 323 K HN 0.328 nan 8.250 nan 0.000 0.440 324 A N 0.985 123.779 122.820 -0.043 0.000 1.902 324 A HA -0.096 4.224 4.320 0.000 0.000 0.217 324 A C 2.316 179.871 177.584 -0.049 0.000 1.181 324 A CA 1.871 53.882 52.037 -0.043 0.000 0.623 324 A CB -0.845 18.125 19.000 -0.050 0.000 0.818 324 A HN 0.468 nan 8.150 nan 0.000 0.443 325 A N -0.518 122.267 122.820 -0.057 0.000 1.898 325 A HA 0.016 4.336 4.320 0.000 0.000 0.216 325 A C 2.153 179.675 177.584 -0.103 0.000 1.181 325 A CA 1.433 53.429 52.037 -0.068 0.000 0.620 325 A CB -0.531 18.432 19.000 -0.062 0.000 0.819 325 A HN 0.455 nan 8.150 nan 0.000 0.442 326 L N -0.865 120.297 121.223 -0.102 0.000 2.156 326 L HA -0.111 4.230 4.340 0.000 0.000 0.208 326 L C 2.717 179.530 176.870 -0.096 0.000 1.095 326 L CA 1.439 56.194 54.840 -0.142 0.000 0.770 326 L CB -0.552 41.459 42.059 -0.080 0.000 0.914 326 L HN 0.337 nan 8.230 nan 0.000 0.439 327 T N 0.059 114.581 114.554 -0.054 0.000 2.684 327 T HA -0.158 4.192 4.350 0.000 0.000 0.267 327 T C 1.922 176.605 174.700 -0.030 0.000 1.036 327 T CA 1.030 63.113 62.100 -0.028 0.000 1.148 327 T CB -0.061 68.795 68.868 -0.019 0.000 0.863 327 T HN 0.063 nan 8.240 nan 0.000 0.436 328 L N 0.569 121.766 121.223 -0.044 0.000 2.046 328 L HA 0.016 4.357 4.340 0.000 0.000 0.208 328 L C 2.471 179.312 176.870 -0.049 0.000 1.077 328 L CA 1.539 56.358 54.840 -0.035 0.000 0.747 328 L CB -1.364 40.675 42.059 -0.033 0.000 0.896 328 L HN 0.327 nan 8.230 nan 0.000 0.432 329 L N -1.251 119.891 121.223 -0.136 0.000 2.042 329 L HA -0.223 4.117 4.340 0.000 0.000 0.210 329 L C 2.568 179.422 176.870 -0.027 0.000 1.076 329 L CA 0.730 55.420 54.840 -0.250 0.000 0.749 329 L CB -0.502 41.057 42.059 -0.834 0.000 0.893 329 L HN 0.038 nan 8.230 nan 0.000 0.432 330 V N -0.313 119.612 119.914 0.018 0.000 2.343 330 V HA -0.274 3.846 4.120 0.000 0.000 0.247 330 V C 2.519 178.668 176.094 0.093 0.000 1.051 330 V CA 1.941 64.323 62.300 0.136 0.000 1.036 330 V CB -0.390 31.489 31.823 0.093 0.000 0.654 330 V HN 0.460 nan 8.190 nan 0.000 0.451 331 E N 0.474 120.703 120.200 0.048 0.000 2.058 331 E HA -0.188 4.162 4.350 0.000 0.000 0.194 331 E C 2.011 178.640 176.600 0.048 0.000 0.997 331 E CA 1.940 58.364 56.400 0.039 0.000 0.801 331 E CB -0.453 29.260 29.700 0.022 0.000 0.746 331 E HN 0.340 nan 8.360 nan 0.000 0.450 332 V N 0.821 120.767 119.914 0.053 0.000 2.427 332 V HA -0.190 3.931 4.120 0.000 0.000 0.248 332 V C 2.393 178.536 176.094 0.083 0.000 1.051 332 V CA 1.630 63.967 62.300 0.061 0.000 1.048 332 V CB -0.953 30.907 31.823 0.060 0.000 0.666 332 V HN 0.461 nan 8.190 nan 0.000 0.456 333 A N -0.637 122.260 122.820 0.129 0.000 1.908 333 A HA -0.324 3.996 4.320 0.000 0.000 0.218 333 A C 2.174 179.798 177.584 0.066 0.000 1.181 333 A CA 2.143 54.254 52.037 0.122 0.000 0.627 333 A CB -0.536 18.579 19.000 0.192 0.000 0.818 333 A HN 0.604 nan 8.150 nan 0.000 0.445 334 Q N 0.039 119.878 119.800 0.064 0.000 2.135 334 Q HA -0.121 4.219 4.340 0.000 0.000 0.204 334 Q C 0.657 176.676 176.000 0.032 0.000 0.981 334 Q CA 1.097 56.925 55.803 0.041 0.000 0.856 334 Q CB -0.090 28.672 28.738 0.040 0.000 0.902 334 Q HN 0.773 nan 8.270 nan 0.000 0.425 338 K N 0.818 121.226 120.400 0.012 0.000 2.097 338 K HA 0.133 4.454 4.320 0.000 0.000 0.205 338 K C 0.952 177.557 176.600 0.009 0.000 1.050 338 K CA 0.888 57.181 56.287 0.010 0.000 0.938 338 K CB 0.138 32.646 32.500 0.012 0.000 0.718 338 K HN 0.225 nan 8.250 nan 0.000 0.442 339 A N 0.491 123.317 122.820 0.010 0.000 2.251 339 A HA 0.379 4.699 4.320 0.000 0.000 0.278 339 A C 0.862 178.450 177.584 0.007 0.000 1.206 339 A CA 0.159 52.202 52.037 0.009 0.000 0.822 339 A CB 0.160 19.166 19.000 0.011 0.000 1.187 339 A HN 0.307 nan 8.150 nan 0.000 0.504 340 G N -1.068 107.735 108.800 0.006 0.000 3.949 340 G HA2 0.373 4.334 3.960 0.000 0.000 0.295 340 G HA3 0.373 4.334 3.960 0.000 0.000 0.295 340 G C 0.642 175.544 174.900 0.003 0.000 1.286 340 G CA -0.299 44.803 45.100 0.004 0.000 1.171 340 G HN 0.634 nan 8.290 nan 0.000 0.586 341 R N -0.621 119.882 120.500 0.005 0.000 2.335 341 R HA 0.255 4.595 4.340 0.000 0.000 0.210 341 R C 0.273 176.574 176.300 0.002 0.000 0.892 341 R CA -0.199 55.904 56.100 0.006 0.000 1.048 341 R CB 0.449 30.755 30.300 0.011 0.000 1.067 341 R HN 0.271 nan 8.270 nan 0.000 0.524 342 L N 4.153 125.374 121.223 -0.003 0.000 2.281 342 L HA 0.285 4.625 4.340 0.000 0.000 0.285 342 L C -1.839 175.023 176.870 -0.014 0.000 1.074 342 L CA -1.891 52.941 54.840 -0.013 0.000 0.817 342 L CB 0.601 42.646 42.059 -0.022 0.000 1.168 342 L HN -0.134 nan 8.230 nan 0.000 0.434 343 P HA 0.044 nan 4.420 nan 0.000 0.274 343 P C -0.560 176.735 177.300 -0.009 0.000 1.237 343 P CA -0.616 62.477 63.100 -0.011 0.000 0.793 343 P CB 1.035 32.727 31.700 -0.013 0.000 0.977 344 C N 3.038 122.337 119.300 -0.001 0.000 2.585 344 C HA 0.272 4.732 4.460 0.000 0.000 0.406 344 C C 1.222 176.225 174.990 0.022 0.000 1.312 344 C CA -0.405 58.617 59.018 0.006 0.000 1.924 344 C CB -1.071 26.672 27.740 0.007 0.000 2.578 344 C HN 0.534 nan 8.230 nan 0.000 0.580 345 R N 3.408 123.929 120.500 0.036 0.000 2.662 345 R HA 0.089 4.429 4.340 0.000 0.000 0.396 345 R C 1.319 177.675 176.300 0.093 0.000 1.096 345 R CA -0.346 55.805 56.100 0.084 0.000 1.081 345 R CB 0.163 30.529 30.300 0.109 0.000 1.382 345 R HN 0.656 nan 8.270 nan 0.000 0.580 346 K N 2.072 122.505 120.400 0.054 0.000 2.032 346 K HA -0.214 4.106 4.320 0.000 0.000 0.209 346 K C 1.839 178.466 176.600 0.045 0.000 1.048 346 K CA 1.775 58.082 56.287 0.034 0.000 0.927 346 K CB 0.172 32.684 32.500 0.019 0.000 0.712 346 K HN 0.192 nan 8.250 nan 0.000 0.441 347 E N -0.714 119.530 120.200 0.073 0.000 2.047 347 E HA -0.210 4.141 4.350 0.000 0.000 0.191 347 E C 1.863 178.547 176.600 0.140 0.000 0.987 347 E CA 1.245 57.697 56.400 0.086 0.000 0.799 347 E CB -0.352 29.401 29.700 0.090 0.000 0.752 347 E HN 0.563 nan 8.360 nan 0.000 0.449 348 W N 0.726 122.016 121.300 -0.017 0.000 2.358 348 W HA -0.182 4.478 4.660 0.001 0.000 0.303 348 W C 1.660 178.169 176.519 -0.017 0.000 1.208 348 W CA 1.152 58.488 57.345 -0.016 0.000 1.274 348 W CB -0.106 29.343 29.460 -0.017 0.000 1.138 348 W HN -0.005 nan 8.180 nan 0.000 0.515 349 V N 1.962 121.808 119.914 -0.113 0.000 2.332 349 V HA -0.318 3.802 4.120 0.000 0.000 0.248 349 V C 2.732 178.697 176.094 -0.216 0.000 1.055 349 V CA 2.257 64.419 62.300 -0.231 0.000 1.038 349 V CB -1.611 30.162 31.823 -0.084 0.000 0.651 349 V HN 0.314 nan 8.190 nan 0.000 0.450 350 A N 1.507 124.256 122.820 -0.118 0.000 1.858 350 A HA -0.266 4.054 4.320 0.000 0.000 0.216 350 A C 1.930 179.437 177.584 -0.129 0.000 1.190 350 A CA 2.151 54.130 52.037 -0.096 0.000 0.617 350 A CB -0.798 18.177 19.000 -0.040 0.000 0.827 350 A HN 0.735 nan 8.150 nan 0.000 0.443 351 D N -1.104 119.220 120.400 -0.127 0.000 2.317 351 D HA -0.070 4.570 4.640 0.000 0.000 0.211 351 D C 1.565 177.728 176.300 -0.228 0.000 0.966 351 D CA 1.002 54.928 54.000 -0.123 0.000 0.876 351 D CB -0.974 39.808 40.800 -0.029 0.000 0.927 351 D HN 0.328 nan 8.370 nan 0.000 0.519 352 C N 0.294 119.349 119.300 -0.409 0.000 2.429 352 C HA -0.090 4.370 4.460 0.000 0.000 0.277 352 C C 2.622 177.443 174.990 -0.282 0.000 1.262 352 C CA 0.812 59.570 59.018 -0.435 0.000 1.733 352 C CB -0.961 26.414 27.740 -0.607 0.000 2.010 352 C HN 0.404 nan 8.230 nan 0.000 0.483 353 Q N -0.339 119.310 119.800 -0.251 0.000 2.167 353 Q HA -0.187 4.154 4.340 0.000 0.000 0.202 353 Q C 2.438 178.321 176.000 -0.195 0.000 0.970 353 Q CA 1.061 56.730 55.803 -0.224 0.000 0.855 353 Q CB -0.194 28.438 28.738 -0.177 0.000 0.911 353 Q HN 0.637 nan 8.270 nan 0.000 0.438 354 Q N 0.628 120.341 119.800 -0.145 0.000 2.050 354 Q HA -0.147 4.194 4.340 0.000 0.000 0.202 354 Q C 2.016 177.963 176.000 -0.089 0.000 0.980 354 Q CA 1.419 57.166 55.803 -0.094 0.000 0.840 354 Q CB -0.020 28.681 28.738 -0.061 0.000 0.898 354 Q HN 0.348 nan 8.270 nan 0.000 0.424 355 R N 0.336 120.778 120.500 -0.097 0.000 2.091 355 R HA -0.129 4.211 4.340 0.000 0.000 0.238 355 R C 2.312 178.550 176.300 -0.102 0.000 1.136 355 R CA 1.376 57.449 56.100 -0.045 0.000 0.959 355 R CB -0.186 30.108 30.300 -0.011 0.000 0.856 355 R HN 0.093 nan 8.270 nan 0.000 0.437 356 K N 1.171 121.381 120.400 -0.317 0.000 2.280 356 K HA -0.144 4.176 4.320 0.000 0.000 0.202 356 K C 1.625 177.872 176.600 -0.590 0.000 1.047 356 K CA 1.232 57.030 56.287 -0.815 0.000 0.942 356 K CB 0.150 32.155 32.500 -0.826 0.000 0.739 356 K HN 0.174 nan 8.250 nan 0.000 0.457 357 R N -0.836 119.491 120.500 -0.288 0.000 2.432 357 R HA 0.084 4.425 4.340 0.000 0.000 0.260 357 R C 0.764 177.111 176.300 0.078 0.000 0.935 357 R CA 0.691 56.710 56.100 -0.135 0.000 1.080 357 R CB 0.414 30.667 30.300 -0.078 0.000 1.155 357 R HN 0.072 nan 8.270 nan 0.000 0.531 358 T N -2.713 111.867 114.554 0.042 0.000 2.980 358 T HA 0.276 4.627 4.350 0.000 0.000 0.252 358 T C 0.749 175.512 174.700 0.104 0.000 0.962 358 T CA -0.368 61.782 62.100 0.084 0.000 0.932 358 T CB 0.156 69.055 68.868 0.051 0.000 1.188 358 T HN 0.079 nan 8.240 nan 0.000 0.500 359 L N 2.971 124.274 121.223 0.132 0.000 2.512 359 L HA 0.528 4.868 4.340 0.000 0.000 0.247 359 L C -0.601 176.409 176.870 0.234 0.000 1.204 359 L CA -0.429 54.511 54.840 0.167 0.000 1.153 359 L CB -0.073 42.090 42.059 0.174 0.000 1.415 359 L HN 0.195 nan 8.230 nan 0.000 0.406 360 L N 0.756 122.094 121.223 0.191 0.000 2.298 360 L HA 0.654 4.995 4.340 0.000 0.000 0.268 360 L C 0.039 177.009 176.870 0.168 0.000 1.010 360 L CA -0.986 53.983 54.840 0.215 0.000 0.812 360 L CB 1.572 43.768 42.059 0.227 0.000 1.331 360 L HN 0.338 nan 8.230 nan 0.000 0.450 361 R N 0.420 121.029 120.500 0.182 0.000 2.599 361 R HA 0.367 4.707 4.340 0.000 0.000 0.295 361 R C -0.949 175.466 176.300 0.192 0.000 0.963 361 R CA -0.985 55.220 56.100 0.175 0.000 0.883 361 R CB 2.373 32.777 30.300 0.173 0.000 1.171 361 R HN 0.407 nan 8.270 nan 0.000 0.450 362 K N 1.077 121.585 120.400 0.180 0.000 2.401 362 K HA 0.008 4.328 4.320 0.000 0.000 0.278 362 K C 0.457 177.195 176.600 0.230 0.000 1.018 362 K CA 0.477 56.823 56.287 0.099 0.000 0.981 362 K CB 0.667 33.125 32.500 -0.070 0.000 0.933 362 K HN 0.778 nan 8.250 nan 0.000 0.477 363 T N -0.189 114.457 114.554 0.153 0.000 2.954 363 T HA 0.000 4.350 4.350 0.000 0.000 0.252 363 T C 0.430 175.260 174.700 0.218 0.000 0.983 363 T CA -0.072 62.206 62.100 0.298 0.000 0.941 363 T CB -0.223 68.826 68.868 0.302 0.000 1.141 363 T HN 0.686 nan 8.240 nan 0.000 0.500 364 H N 1.067 120.074 119.070 -0.106 0.000 2.923 364 H HA 0.512 5.068 4.556 0.000 0.000 0.251 364 H C -1.338 173.856 175.328 -0.223 0.000 1.741 364 H CA -1.286 54.708 56.048 -0.089 0.000 1.387 364 H CB -1.132 28.586 29.762 -0.074 0.000 1.740 364 H HN 0.238 nan 8.280 nan 0.000 0.544 365 F N 1.686 121.557 119.950 -0.132 0.000 2.420 365 F HA 0.179 4.706 4.527 0.000 0.000 0.342 365 F C 0.980 176.669 175.800 -0.185 0.000 1.113 365 F CA -0.712 57.224 58.000 -0.107 0.000 1.059 365 F CB 1.480 40.465 39.000 -0.026 0.000 1.128 365 F HN 0.400 nan 8.300 nan 0.000 0.475 366 D N 1.404 121.815 120.400 0.019 0.000 2.340 366 D HA 0.029 4.669 4.640 0.000 0.000 0.217 366 D C -0.067 176.256 176.300 0.037 0.000 1.081 366 D CA 0.186 54.175 54.000 -0.019 0.000 0.842 366 D CB -0.177 40.605 40.800 -0.031 0.000 0.934 366 D HN 0.446 nan 8.370 nan 0.000 0.511 367 N N -0.115 118.637 118.700 0.087 0.000 2.395 367 N HA 0.063 4.804 4.740 0.000 0.000 0.246 367 N C -0.422 175.109 175.510 0.034 0.000 1.246 367 N CA 0.347 53.434 53.050 0.062 0.000 0.879 367 N CB 1.020 39.538 38.487 0.053 0.000 1.098 367 N HN -0.229 nan 8.380 nan 0.000 0.444 368 V N 2.392 122.325 119.914 0.033 0.000 2.525 368 V HA 0.392 4.512 4.120 0.000 0.000 0.299 368 V C -1.851 174.267 176.094 0.040 0.000 1.034 368 V CA -1.306 61.015 62.300 0.036 0.000 0.863 368 V CB 1.494 33.337 31.823 0.033 0.000 0.999 368 V HN 0.723 nan 8.190 nan 0.000 0.423 369 P HA 0.303 nan 4.420 nan 0.000 0.272 369 P C -0.373 176.943 177.300 0.026 0.000 1.230 369 P CA -0.205 62.930 63.100 0.059 0.000 0.788 369 P CB 0.812 32.571 31.700 0.099 0.000 0.949 370 V N 2.155 122.075 119.914 0.009 0.000 2.655 370 V HA 0.019 4.139 4.120 0.000 0.000 0.300 370 V C 1.096 177.161 176.094 -0.049 0.000 1.044 370 V CA 0.075 62.363 62.300 -0.020 0.000 1.095 370 V CB -0.181 31.617 31.823 -0.042 0.000 0.952 370 V HN 0.474 nan 8.190 nan 0.000 0.485 371 K N 7.109 127.457 120.400 -0.086 0.000 2.249 371 K HA 0.258 4.578 4.320 0.000 0.000 0.280 371 K C -1.466 175.067 176.600 -0.112 0.000 1.033 371 K CA -1.503 54.681 56.287 -0.173 0.000 0.946 371 K CB 1.265 33.490 32.500 -0.458 0.000 1.005 371 K HN 0.415 nan 8.250 nan 0.000 0.469 372 P HA -0.226 nan 4.420 nan 0.000 0.220 372 P C 0.848 178.058 177.300 -0.150 0.000 1.148 372 P CA 1.270 64.300 63.100 -0.117 0.000 0.803 372 P CB 0.247 31.947 31.700 -0.001 0.000 0.782 373 Q N 0.207 120.052 119.800 0.076 0.000 2.291 373 Q HA -0.140 4.200 4.340 0.000 0.000 0.205 373 Q C 2.035 178.185 176.000 0.250 0.000 0.970 373 Q CA 1.161 57.140 55.803 0.293 0.000 0.876 373 Q CB -0.855 28.106 28.738 0.371 0.000 0.935 373 Q HN 0.123 nan 8.270 nan 0.000 0.455 374 R N 1.383 121.986 120.500 0.171 0.000 2.148 374 R HA 0.002 4.342 4.340 0.000 0.000 0.223 374 R C 2.049 178.381 176.300 0.052 0.000 1.088 374 R CA 0.947 57.136 56.100 0.148 0.000 0.985 374 R CB -0.662 29.710 30.300 0.120 0.000 0.880 374 R HN 0.141 nan 8.270 nan 0.000 0.451 375 V N 0.180 120.025 119.914 -0.115 0.000 2.343 375 V HA -0.254 3.866 4.120 0.000 0.000 0.247 375 V C 1.710 177.781 176.094 -0.037 0.000 1.051 375 V CA 1.940 64.150 62.300 -0.151 0.000 1.036 375 V CB -0.629 30.979 31.823 -0.358 0.000 0.654 375 V HN 0.338 nan 8.190 nan 0.000 0.451 376 Y N 0.369 120.784 120.300 0.192 0.000 2.242 376 Y HA -0.196 4.354 4.550 0.000 0.000 0.291 376 Y C 2.617 178.648 175.900 0.218 0.000 1.137 376 Y CA 1.455 59.663 58.100 0.180 0.000 1.181 376 Y CB -0.253 38.287 38.460 0.133 0.000 0.989 376 Y HN 0.302 nan 8.280 nan 0.000 0.527 377 E N 0.829 121.230 120.200 0.336 0.000 2.058 377 E HA -0.166 4.184 4.350 0.000 0.000 0.194 377 E C 0.708 177.469 176.600 0.269 0.000 0.997 377 E CA 0.811 57.392 56.400 0.301 0.000 0.801 377 E CB 0.080 29.947 29.700 0.277 0.000 0.746 377 E HN 0.320 nan 8.360 nan 0.000 0.450 381 K N 1.442 121.923 120.400 0.136 0.000 2.057 381 K HA 0.183 4.504 4.320 0.000 0.000 0.206 381 K C 1.870 178.451 176.600 -0.032 0.000 1.050 381 K CA 1.547 57.850 56.287 0.026 0.000 0.935 381 K CB 0.024 32.556 32.500 0.053 0.000 0.715 381 K HN 0.195 nan 8.250 nan 0.000 0.439 382 A N 0.681 123.423 122.820 -0.130 0.000 1.970 382 A HA 0.069 4.389 4.320 0.000 0.000 0.216 382 A C 0.612 177.917 177.584 -0.464 0.000 1.170 382 A CA 0.654 52.468 52.037 -0.371 0.000 0.645 382 A CB -0.082 18.529 19.000 -0.648 0.000 0.816 382 A HN 0.107 nan 8.150 nan 0.000 0.447 383 F N -0.962 119.015 119.950 0.044 0.000 2.470 383 F HA 0.574 5.101 4.527 0.001 0.000 0.329 383 F C 1.229 177.077 175.800 0.080 0.000 1.072 383 F CA -0.693 57.330 58.000 0.038 0.000 0.989 383 F CB 1.212 40.225 39.000 0.022 0.000 1.193 383 F HN 0.146 nan 8.300 nan 0.000 0.481 384 G N 0.703 109.655 108.800 0.253 0.000 2.621 384 G HA2 0.139 4.099 3.960 0.000 0.000 0.271 384 G HA3 0.139 4.099 3.960 0.000 0.000 0.271 384 G C 0.741 175.730 174.900 0.149 0.000 1.236 384 G CA -0.557 44.628 45.100 0.142 0.000 0.958 384 G HN 0.791 nan 8.290 nan 0.000 0.512 385 R N -0.502 120.019 120.500 0.035 0.000 2.148 385 R HA -0.091 4.249 4.340 0.000 0.000 0.227 385 R C 1.461 177.801 176.300 0.066 0.000 1.103 385 R CA 1.698 57.750 56.100 -0.079 0.000 0.983 385 R CB -0.129 29.990 30.300 -0.301 0.000 0.874 385 R HN 0.639 nan 8.270 nan 0.000 0.451 386 D N 0.312 120.754 120.400 0.071 0.000 2.336 386 D HA -0.059 4.581 4.640 0.000 0.000 0.229 386 D C 0.581 176.991 176.300 0.183 0.000 1.061 386 D CA -0.148 53.936 54.000 0.139 0.000 0.875 386 D CB -0.242 40.621 40.800 0.106 0.000 0.904 386 D HN -0.001 nan 8.370 nan 0.000 0.525 387 V N 0.325 120.281 119.914 0.070 0.000 2.901 387 V HA 0.002 4.122 4.120 0.000 0.000 0.307 387 V C -0.141 175.783 176.094 -0.283 0.000 1.084 387 V CA -0.290 61.900 62.300 -0.184 0.000 1.184 387 V CB 1.020 32.657 31.823 -0.309 0.000 0.941 387 V HN 0.548 nan 8.190 nan 0.000 0.493 388 C N 7.772 126.761 119.300 -0.518 0.000 2.356 388 C HA 0.574 5.034 4.460 0.000 0.000 0.324 388 C C -0.553 174.155 174.990 -0.470 0.000 1.167 388 C CA -1.002 57.706 59.018 -0.518 0.000 1.420 388 C CB -0.657 26.728 27.740 -0.592 0.000 2.036 388 C HN 0.853 nan 8.230 nan 0.000 0.435 389 Y N 4.082 124.280 120.300 -0.170 0.000 2.304 389 Y HA 0.571 5.121 4.550 0.000 0.000 0.328 389 Y C 0.487 176.124 175.900 -0.438 0.000 1.123 389 Y CA -0.608 57.339 58.100 -0.255 0.000 1.218 389 Y CB 1.269 39.649 38.460 -0.134 0.000 1.207 389 Y HN 0.398 nan 8.280 nan 0.000 0.495 390 V N 2.819 122.592 119.914 -0.235 0.000 2.487 390 V HA 0.606 4.726 4.120 0.000 0.000 0.298 390 V C -0.182 175.755 176.094 -0.261 0.000 1.028 390 V CA -0.465 61.660 62.300 -0.292 0.000 0.860 390 V CB 1.731 33.391 31.823 -0.271 0.000 0.991 390 V HN 0.916 nan 8.190 nan 0.000 0.427 391 T N 2.385 116.787 114.554 -0.254 0.000 2.711 391 T HA 0.553 4.904 4.350 0.000 0.000 0.302 391 T C 0.087 174.754 174.700 -0.055 0.000 1.373 391 T CA 0.540 62.558 62.100 -0.137 0.000 1.000 391 T CB 2.241 70.979 68.868 -0.216 0.000 1.483 391 T HN 0.656 nan 8.240 nan 0.000 0.499 392 T N 0.718 115.255 114.554 -0.028 0.000 3.364 392 T HA 0.592 4.943 4.350 0.000 0.000 0.179 392 T C -0.489 174.147 174.700 -0.107 0.000 0.939 392 T CA -0.126 61.911 62.100 -0.106 0.000 1.094 392 T CB 0.078 68.930 68.868 -0.027 0.000 1.532 392 T HN 0.622 nan 8.240 nan 0.000 0.346 393 I N -0.156 120.381 120.570 -0.053 0.000 2.918 393 I HA 0.567 4.737 4.170 0.000 0.000 0.301 393 I C -1.312 174.812 176.117 0.011 0.000 1.312 393 I CA 0.122 61.400 61.300 -0.037 0.000 1.007 393 I CB 1.998 39.952 38.000 -0.076 0.000 1.281 393 I HN 0.758 nan 8.210 nan 0.000 0.440 394 G N 4.275 113.089 108.800 0.024 0.000 2.353 394 G HA2 -0.013 3.947 3.960 0.000 0.000 0.424 394 G HA3 -0.013 3.947 3.960 0.000 0.000 0.424 394 G C -0.145 174.783 174.900 0.046 0.000 1.320 394 G CA -0.433 44.696 45.100 0.048 0.000 0.995 394 G HN 0.669 nan 8.290 nan 0.000 0.580 395 L N 0.929 122.182 121.223 0.049 0.000 2.131 395 L HA -0.093 4.248 4.340 0.000 0.000 0.210 395 L C 3.284 180.214 176.870 0.101 0.000 1.092 395 L CA 2.221 57.090 54.840 0.048 0.000 0.759 395 L CB -0.689 41.387 42.059 0.028 0.000 0.903 395 L HN 0.809 nan 8.230 nan 0.000 0.435 396 S N 1.101 116.880 115.700 0.132 0.000 2.359 396 S HA -0.324 4.146 4.470 0.000 0.000 0.223 396 S C 1.841 176.540 174.600 0.166 0.000 1.039 396 S CA 1.725 60.047 58.200 0.203 0.000 1.042 396 S CB -0.627 62.678 63.200 0.175 0.000 0.915 396 S HN 0.626 nan 8.310 nan 0.000 0.439 397 Q N 1.073 120.936 119.800 0.104 0.000 2.302 397 Q HA 0.310 4.650 4.340 0.000 0.000 0.202 397 Q C 1.926 177.963 176.000 0.062 0.000 0.936 397 Q CA 0.793 56.656 55.803 0.100 0.000 0.886 397 Q CB -0.754 28.045 28.738 0.102 0.000 0.986 397 Q HN 0.620 nan 8.270 nan 0.000 0.487 398 I N 1.181 121.759 120.570 0.014 0.000 2.163 398 I HA -0.228 3.942 4.170 0.000 0.000 0.240 398 I C 2.416 178.467 176.117 -0.111 0.000 1.081 398 I CA 1.225 62.500 61.300 -0.041 0.000 1.353 398 I CB -0.532 37.449 38.000 -0.031 0.000 1.054 398 I HN 0.413 nan 8.210 nan 0.000 0.407 399 A N 0.668 123.425 122.820 -0.104 0.000 1.933 399 A HA -0.135 4.185 4.320 0.000 0.000 0.218 399 A C 2.525 179.753 177.584 -0.593 0.000 1.175 399 A CA 1.739 53.663 52.037 -0.188 0.000 0.628 399 A CB -0.794 18.243 19.000 0.061 0.000 0.814 399 A HN 0.445 nan 8.150 nan 0.000 0.444 400 A N 0.029 122.398 122.820 -0.753 0.000 1.883 400 A HA 0.114 4.434 4.320 0.000 0.000 0.217 400 A C 2.502 179.929 177.584 -0.263 0.000 1.186 400 A CA 2.183 53.766 52.037 -0.758 0.000 0.624 400 A CB -1.059 17.812 19.000 -0.216 0.000 0.822 400 A HN 1.106 nan 8.150 nan 0.000 0.444 401 A N -0.196 122.544 122.820 -0.133 0.000 1.972 401 A HA -0.021 4.299 4.320 0.000 0.000 0.219 401 A C 1.581 178.872 177.584 -0.487 0.000 1.169 401 A CA 1.313 53.158 52.037 -0.319 0.000 0.635 401 A CB -0.503 18.320 19.000 -0.294 0.000 0.810 401 A HN 0.838 nan 8.150 nan 0.000 0.446 405 H N 0.341 119.516 119.070 0.176 0.000 2.717 405 H HA 0.763 5.319 4.556 0.000 0.000 0.366 405 H C -1.290 173.779 175.328 -0.432 0.000 1.132 405 H CA -0.557 55.398 56.048 -0.155 0.000 1.180 405 H CB 2.918 32.488 29.762 -0.319 0.000 1.678 405 H HN 0.186 nan 8.280 nan 0.000 0.537 406 V N 2.785 122.204 119.914 -0.825 0.000 2.876 406 V HA 0.248 4.368 4.120 0.000 0.000 0.312 406 V C -0.601 174.875 176.094 -1.030 0.000 1.085 406 V CA -0.391 61.448 62.300 -0.769 0.000 0.945 406 V CB 2.034 33.313 31.823 -0.907 0.000 1.017 406 V HN 0.705 nan 8.190 nan 0.000 0.428 407 F N 2.219 122.045 119.950 -0.207 0.000 2.825 407 F HA 0.525 5.052 4.527 0.000 0.000 0.322 407 F C 0.358 176.020 175.800 -0.231 0.000 1.127 407 F CA -0.242 57.645 58.000 -0.189 0.000 1.164 407 F CB 0.674 39.572 39.000 -0.170 0.000 1.101 407 F HN 0.310 nan 8.300 nan 0.000 0.529 408 K N 0.931 121.203 120.400 -0.212 0.000 2.579 408 K HA 0.169 4.489 4.320 0.000 0.000 0.284 408 K C -1.635 174.865 176.600 -0.167 0.000 0.990 408 K CA -0.853 55.272 56.287 -0.269 0.000 0.880 408 K CB 1.633 33.790 32.500 -0.571 0.000 1.488 408 K HN 0.049 nan 8.250 nan 0.000 0.425 409 D N 2.276 122.641 120.400 -0.060 0.000 2.345 409 D HA 0.130 4.771 4.640 0.000 0.000 0.247 409 D C -0.546 175.828 176.300 0.124 0.000 1.108 409 D CA -0.039 53.980 54.000 0.032 0.000 0.894 409 D CB 0.969 41.788 40.800 0.033 0.000 1.203 409 D HN 0.690 nan 8.370 nan 0.000 0.430 410 R N 0.416 120.995 120.500 0.131 0.000 3.776 410 R HA -0.177 4.163 4.340 0.000 0.000 0.312 410 R C 0.234 176.626 176.300 0.153 0.000 1.181 410 R CA 0.675 56.850 56.100 0.125 0.000 0.836 410 R CB -2.499 27.845 30.300 0.074 0.000 1.324 410 R HN 0.702 nan 8.270 nan 0.000 0.501 411 H N -1.754 117.298 119.070 -0.030 0.000 2.594 411 H HA 0.071 4.628 4.556 0.000 0.000 0.279 411 H C -0.115 175.215 175.328 0.004 0.000 1.042 411 H CA -0.090 55.917 56.048 -0.068 0.000 1.177 411 H CB 0.556 30.258 29.762 -0.099 0.000 1.524 411 H HN 0.278 nan 8.280 nan 0.000 0.537 412 W N 2.530 123.782 121.300 -0.079 0.000 2.453 412 W HA 0.280 4.940 4.660 0.000 0.000 0.310 412 W C -1.790 174.740 176.519 0.018 0.000 1.000 412 W CA -0.659 56.647 57.345 -0.065 0.000 1.367 412 W CB 0.796 30.174 29.460 -0.137 0.000 1.269 412 W HN -0.093 nan 8.180 nan 0.000 0.418 413 I N 6.000 126.396 120.570 -0.290 0.000 2.306 413 I HA 0.206 4.376 4.170 0.000 0.000 0.288 413 I C -0.309 175.675 176.117 -0.222 0.000 1.036 413 I CA -0.301 60.913 61.300 -0.143 0.000 1.221 413 I CB 0.611 38.561 38.000 -0.083 0.000 1.385 413 I HN 0.385 nan 8.210 nan 0.000 0.472 414 N N 5.682 124.271 118.700 -0.185 0.000 2.425 414 N HA 0.239 4.979 4.740 0.000 0.000 0.289 414 N C -0.608 174.637 175.510 -0.443 0.000 1.074 414 N CA -0.537 52.320 53.050 -0.323 0.000 0.905 414 N CB 1.801 40.188 38.487 -0.167 0.000 1.586 414 N HN 0.587 nan 8.380 nan 0.000 0.490 415 C N 2.153 120.866 119.300 -0.977 0.000 2.485 415 C HA 0.540 5.000 4.460 0.000 0.000 0.408 415 C C 1.849 176.529 174.990 -0.516 0.000 1.034 415 C CA -0.532 57.925 59.018 -0.935 0.000 1.267 415 C CB -1.271 25.488 27.740 -1.635 0.000 1.703 415 C HN 0.705 nan 8.230 nan 0.000 0.530 416 G N 1.677 110.301 108.800 -0.294 0.000 2.448 416 G HA2 -0.160 3.801 3.960 0.000 0.000 0.218 416 G HA3 -0.160 3.801 3.960 0.000 0.000 0.218 416 G C 1.605 176.405 174.900 -0.167 0.000 1.135 416 G CA 1.037 46.036 45.100 -0.167 0.000 0.784 416 G HN 0.663 nan 8.290 nan 0.000 0.543 417 Q N -0.163 119.511 119.800 -0.210 0.000 2.349 417 Q HA 0.444 4.784 4.340 0.000 0.000 0.209 417 Q C 2.297 178.173 176.000 -0.206 0.000 0.920 417 Q CA 1.364 57.062 55.803 -0.175 0.000 0.901 417 Q CB -0.069 28.571 28.738 -0.164 0.000 1.021 417 Q HN 0.261 nan 8.270 nan 0.000 0.519 418 A N -0.542 122.070 122.820 -0.346 0.000 1.993 418 A HA 0.454 4.775 4.320 0.000 0.000 0.207 418 A C 1.425 178.867 177.584 -0.237 0.000 1.224 418 A CA 0.510 52.330 52.037 -0.362 0.000 0.749 418 A CB -0.640 17.903 19.000 -0.762 0.000 0.884 418 A HN 0.559 nan 8.150 nan 0.000 0.467 419 G N 1.277 109.869 108.800 -0.347 0.000 2.386 419 G HA2 -0.190 3.770 3.960 0.000 0.000 0.295 419 G HA3 -0.190 3.770 3.960 0.000 0.000 0.295 419 G C -2.054 172.694 174.900 -0.253 0.000 0.979 419 G CA 0.147 45.052 45.100 -0.325 0.000 1.193 419 G HN 0.510 nan 8.290 nan 0.000 0.508 420 P HA 0.368 nan 4.420 nan 0.000 0.282 420 P C 0.792 177.951 177.300 -0.235 0.000 1.262 420 P CA -0.427 62.573 63.100 -0.167 0.000 0.773 420 P CB 1.065 32.729 31.700 -0.061 0.000 0.879 421 L N 2.642 123.626 121.223 -0.397 0.000 2.514 421 L HA 0.206 4.546 4.340 0.000 0.000 0.280 421 L C 1.799 178.313 176.870 -0.593 0.000 1.223 421 L CA 1.317 55.723 54.840 -0.724 0.000 0.864 421 L CB -0.517 40.617 42.059 -1.542 0.000 1.118 421 L HN 0.831 nan 8.230 nan 0.000 0.494 422 G N 1.820 110.438 108.800 -0.304 0.000 2.194 422 G HA2 -0.305 3.656 3.960 0.000 0.000 0.236 422 G HA3 -0.305 3.656 3.960 0.000 0.000 0.236 422 G C 0.417 175.326 174.900 0.015 0.000 0.987 422 G CA 0.370 45.461 45.100 -0.016 0.000 0.635 422 G HN 0.828 nan 8.290 nan 0.000 0.520 423 W N 1.814 122.951 121.300 -0.272 0.000 2.363 423 W HA 0.023 4.683 4.660 0.000 0.000 0.296 423 W C 2.475 178.868 176.519 -0.211 0.000 1.212 423 W CA 2.768 59.877 57.345 -0.394 0.000 1.260 423 W CB -0.203 28.965 29.460 -0.486 0.000 1.131 423 W HN 0.183 nan 8.180 nan 0.000 0.530 424 T N 1.043 115.655 114.554 0.097 0.000 2.674 424 T HA -0.257 4.094 4.350 0.000 0.000 0.265 424 T C 1.787 176.458 174.700 -0.049 0.000 1.039 424 T CA 2.107 64.246 62.100 0.064 0.000 1.150 424 T CB -0.552 68.441 68.868 0.209 0.000 0.864 424 T HN 0.115 nan 8.240 nan 0.000 0.427 425 I N 1.874 122.488 120.570 0.073 0.000 2.113 425 I HA -0.131 4.039 4.170 0.000 0.000 0.238 425 I C -0.395 175.619 176.117 -0.173 0.000 1.070 425 I CA 1.283 62.624 61.300 0.068 0.000 1.332 425 I CB -1.422 36.606 38.000 0.047 0.000 1.044 425 I HN 0.204 nan 8.210 nan 0.000 0.402 426 P HA -0.182 nan 4.420 nan 0.000 0.216 426 P C 1.448 178.446 177.300 -0.504 0.000 1.153 426 P CA 2.106 65.020 63.100 -0.311 0.000 0.848 426 P CB -0.070 31.482 31.700 -0.247 0.000 0.787 427 A N 0.810 123.200 122.820 -0.715 0.000 1.883 427 A HA -0.143 4.177 4.320 0.000 0.000 0.217 427 A C 2.538 179.736 177.584 -0.642 0.000 1.186 427 A CA 2.575 54.045 52.037 -0.944 0.000 0.624 427 A CB -1.631 16.307 19.000 -1.770 0.000 0.822 427 A HN 0.236 nan 8.150 nan 0.000 0.444 428 A N -0.310 122.156 122.820 -0.589 0.000 1.883 428 A HA -0.097 4.223 4.320 0.000 0.000 0.217 428 A C 2.187 179.418 177.584 -0.588 0.000 1.186 428 A CA 1.620 53.274 52.037 -0.638 0.000 0.624 428 A CB -0.689 17.747 19.000 -0.940 0.000 0.822 428 A HN 0.490 nan 8.150 nan 0.000 0.444 429 L N -0.732 120.185 121.223 -0.511 0.000 2.083 429 L HA -0.145 4.195 4.340 0.000 0.000 0.209 429 L C 2.803 179.550 176.870 -0.205 0.000 1.083 429 L CA 1.055 55.719 54.840 -0.294 0.000 0.752 429 L CB -0.747 41.207 42.059 -0.176 0.000 0.899 429 L HN 0.511 nan 8.230 nan 0.000 0.433 430 G N -0.596 108.010 108.800 -0.324 0.000 2.408 430 G HA2 -0.172 3.788 3.960 0.000 0.000 0.217 430 G HA3 -0.172 3.788 3.960 0.000 0.000 0.217 430 G C 1.587 176.451 174.900 -0.060 0.000 1.150 430 G CA 0.801 45.757 45.100 -0.241 0.000 0.776 430 G HN 0.189 nan 8.290 nan 0.000 0.542 431 V N 0.567 120.363 119.914 -0.197 0.000 2.343 431 V HA -0.214 3.907 4.120 0.000 0.000 0.247 431 V C 3.040 179.051 176.094 -0.139 0.000 1.051 431 V CA 1.774 63.960 62.300 -0.190 0.000 1.036 431 V CB -0.709 30.964 31.823 -0.250 0.000 0.654 431 V HN 0.493 nan 8.190 nan 0.000 0.451 432 C N 0.335 119.557 119.300 -0.130 0.000 2.425 432 C HA -0.079 4.381 4.460 0.000 0.000 0.277 432 C C 3.082 178.078 174.990 0.011 0.000 1.280 432 C CA 0.766 59.747 59.018 -0.061 0.000 1.744 432 C CB -1.366 26.349 27.740 -0.042 0.000 1.989 432 C HN 0.631 nan 8.230 nan 0.000 0.491 433 A N 0.295 123.163 122.820 0.080 0.000 1.969 433 A HA 0.145 4.466 4.320 0.000 0.000 0.218 433 A C 2.310 180.005 177.584 0.186 0.000 1.169 433 A CA 1.819 53.959 52.037 0.171 0.000 0.635 433 A CB -0.642 18.550 19.000 0.321 0.000 0.810 433 A HN 0.568 nan 8.150 nan 0.000 0.445 434 A N -1.289 121.573 122.820 0.070 0.000 1.968 434 A HA 0.110 4.430 4.320 0.000 0.000 0.217 434 A C 0.783 178.275 177.584 -0.153 0.000 1.169 434 A CA 1.511 53.394 52.037 -0.257 0.000 0.638 434 A CB -0.013 18.624 19.000 -0.605 0.000 0.812 434 A HN 0.398 nan 8.150 nan 0.000 0.446 435 D N -2.521 117.823 120.400 -0.094 0.000 2.319 435 D HA 0.331 4.972 4.640 0.000 0.000 0.237 435 D C -2.584 173.691 176.300 -0.041 0.000 1.353 435 D CA -1.506 52.452 54.000 -0.070 0.000 0.992 435 D CB 1.290 42.032 40.800 -0.097 0.000 1.368 435 D HN -0.124 nan 8.370 nan 0.000 0.564 436 P HA -0.067 nan 4.420 nan 0.000 0.228 436 P C 0.918 178.219 177.300 0.002 0.000 1.151 436 P CA 0.668 63.773 63.100 0.007 0.000 0.770 436 P CB 0.362 32.075 31.700 0.023 0.000 0.786 437 K N -1.004 119.390 120.400 -0.010 0.000 2.400 437 K HA 0.063 4.383 4.320 0.000 0.000 0.194 437 K C 0.933 177.518 176.600 -0.025 0.000 1.033 437 K CA 0.003 56.286 56.287 -0.007 0.000 1.021 437 K CB -0.085 32.414 32.500 -0.002 0.000 0.808 437 K HN 0.057 nan 8.250 nan 0.000 0.505 438 R N 2.564 123.030 120.500 -0.056 0.000 2.449 438 R HA -0.003 4.338 4.340 0.000 0.000 0.296 438 R C -0.006 176.231 176.300 -0.104 0.000 1.047 438 R CA 0.054 56.089 56.100 -0.108 0.000 1.018 438 R CB -0.007 30.194 30.300 -0.164 0.000 0.962 438 R HN -0.131 nan 8.270 nan 0.000 0.428 439 N N 4.158 122.785 118.700 -0.121 0.000 2.895 439 N HA 0.062 4.803 4.740 0.000 0.000 0.277 439 N C -1.326 174.051 175.510 -0.220 0.000 1.185 439 N CA -0.141 52.835 53.050 -0.124 0.000 1.106 439 N CB 0.204 38.641 38.487 -0.085 0.000 1.422 439 N HN 0.277 nan 8.380 nan 0.000 0.521 440 V N 2.497 122.306 119.914 -0.175 0.000 2.488 440 V HA 0.284 4.404 4.120 0.000 0.000 0.277 440 V C 0.187 176.184 176.094 -0.161 0.000 1.046 440 V CA -0.495 61.685 62.300 -0.200 0.000 0.986 440 V CB 1.288 33.012 31.823 -0.165 0.000 0.989 440 V HN 0.164 nan 8.190 nan 0.000 0.475 441 V N 4.283 124.057 119.914 -0.234 0.000 2.525 441 V HA 0.765 4.886 4.120 0.000 0.000 0.299 441 V C 0.169 176.236 176.094 -0.045 0.000 1.034 441 V CA -0.543 61.650 62.300 -0.179 0.000 0.863 441 V CB 1.720 33.275 31.823 -0.448 0.000 0.999 441 V HN 0.989 nan 8.190 nan 0.000 0.423 442 A N 5.456 128.238 122.820 -0.063 0.000 2.312 442 A HA 0.976 5.296 4.320 0.000 0.000 0.328 442 A C -0.880 176.615 177.584 -0.148 0.000 1.158 442 A CA -0.490 51.402 52.037 -0.241 0.000 0.821 442 A CB 0.884 19.499 19.000 -0.642 0.000 1.170 442 A HN 0.731 nan 8.150 nan 0.000 0.490 443 I N 0.851 121.386 120.570 -0.059 0.000 2.436 443 I HA 0.512 4.682 4.170 0.000 0.000 0.289 443 I C 0.123 176.352 176.117 0.187 0.000 1.010 443 I CA 0.231 61.596 61.300 0.109 0.000 1.098 443 I CB 2.128 40.211 38.000 0.138 0.000 1.266 443 I HN 0.437 nan 8.210 nan 0.000 0.434 444 S N 2.326 118.203 115.700 0.295 0.000 2.569 444 S HA 0.800 5.270 4.470 0.000 0.000 0.280 444 S C -0.003 174.700 174.600 0.172 0.000 1.111 444 S CA -0.802 57.569 58.200 0.284 0.000 0.887 444 S CB 2.016 65.493 63.200 0.461 0.000 1.095 444 S HN 0.841 nan 8.310 nan 0.000 0.476 445 G N 0.481 109.378 108.800 0.161 0.000 2.580 445 G HA2 0.310 4.271 3.960 0.000 0.000 0.278 445 G HA3 0.310 4.271 3.960 0.000 0.000 0.278 445 G C 0.580 175.565 174.900 0.142 0.000 1.212 445 G CA -0.438 44.744 45.100 0.136 0.000 0.939 445 G HN 0.763 nan 8.290 nan 0.000 0.513 446 D N -0.696 119.791 120.400 0.146 0.000 2.144 446 D HA -0.170 4.471 4.640 0.000 0.000 0.199 446 D C 1.838 178.366 176.300 0.380 0.000 0.984 446 D CA 0.847 54.952 54.000 0.175 0.000 0.834 446 D CB -0.197 40.759 40.800 0.260 0.000 0.955 446 D HN 0.242 nan 8.370 nan 0.000 0.465 447 F N 1.888 121.958 119.950 0.200 0.000 2.128 447 F HA -0.060 4.467 4.527 0.000 0.000 0.295 447 F C 1.998 177.949 175.800 0.253 0.000 1.100 447 F CA 1.185 59.331 58.000 0.244 0.000 1.260 447 F CB -0.486 38.633 39.000 0.197 0.000 1.009 447 F HN -0.145 nan 8.300 nan 0.000 0.476 448 D N -0.527 119.983 120.400 0.183 0.000 2.104 448 D HA -0.300 4.341 4.640 0.000 0.000 0.194 448 D C 2.222 178.593 176.300 0.118 0.000 0.994 448 D CA 1.462 55.471 54.000 0.015 0.000 0.830 448 D CB -0.589 40.251 40.800 0.068 0.000 0.959 448 D HN 0.258 nan 8.370 nan 0.000 0.452 449 F N 0.806 120.772 119.950 0.026 0.000 2.161 449 F HA -0.121 4.406 4.527 0.001 0.000 0.300 449 F C 2.325 178.144 175.800 0.032 0.000 1.089 449 F CA 1.494 59.474 58.000 -0.033 0.000 1.282 449 F CB -0.174 38.731 39.000 -0.159 0.000 1.010 449 F HN 0.057 nan 8.300 nan 0.000 0.485 450 Q N -1.345 118.567 119.800 0.187 0.000 2.187 450 Q HA -0.112 4.228 4.340 0.000 0.000 0.199 450 Q C 2.131 178.159 176.000 0.048 0.000 0.957 450 Q CA 1.063 56.943 55.803 0.127 0.000 0.857 450 Q CB -0.344 28.538 28.738 0.240 0.000 0.929 450 Q HN 0.331 nan 8.270 nan 0.000 0.453 451 F N 0.863 120.700 119.950 -0.188 0.000 2.045 451 F HA -0.234 4.293 4.527 0.000 0.000 0.297 451 F C 1.269 176.983 175.800 -0.144 0.000 1.114 451 F CA 1.399 59.280 58.000 -0.199 0.000 1.207 451 F CB 0.022 38.897 39.000 -0.208 0.000 0.964 451 F HN 0.022 nan 8.300 nan 0.000 0.486 452 L N -0.473 120.782 121.223 0.053 0.000 3.083 452 L HA 0.226 4.566 4.340 0.000 0.000 0.286 452 L C 1.245 178.050 176.870 -0.107 0.000 1.307 452 L CA -0.201 54.622 54.840 -0.028 0.000 0.897 452 L CB 0.409 42.457 42.059 -0.017 0.000 1.306 452 L HN 0.133 nan 8.230 nan 0.000 0.569 453 I N 1.103 121.579 120.570 -0.156 0.000 2.454 453 I HA -0.257 3.913 4.170 0.000 0.000 0.254 453 I C 2.543 178.559 176.117 -0.168 0.000 1.156 453 I CA 1.345 62.469 61.300 -0.293 0.000 1.433 453 I CB 0.297 38.160 38.000 -0.227 0.000 1.082 453 I HN 0.553 nan 8.210 nan 0.000 0.432 454 E N 0.572 120.732 120.200 -0.066 0.000 2.338 454 E HA -0.249 4.101 4.350 0.000 0.000 0.197 454 E C 1.338 177.941 176.600 0.004 0.000 1.007 454 E CA 0.979 57.370 56.400 -0.014 0.000 0.849 454 E CB -0.534 29.178 29.700 0.020 0.000 0.774 454 E HN 0.536 nan 8.360 nan 0.000 0.506 455 E N 1.080 121.274 120.200 -0.010 0.000 2.338 455 E HA -0.025 4.325 4.350 0.000 0.000 0.197 455 E C 2.284 178.910 176.600 0.042 0.000 1.007 455 E CA 0.231 56.642 56.400 0.018 0.000 0.849 455 E CB -0.340 29.354 29.700 -0.010 0.000 0.774 455 E HN 0.402 nan 8.360 nan 0.000 0.506 456 L N 0.439 121.672 121.223 0.017 0.000 2.079 456 L HA -0.190 4.150 4.340 0.000 0.000 0.210 456 L C 2.378 179.300 176.870 0.086 0.000 1.081 456 L CA 1.230 56.108 54.840 0.065 0.000 0.752 456 L CB -0.541 41.531 42.059 0.021 0.000 0.896 456 L HN 0.077 nan 8.230 nan 0.000 0.433 457 A N -0.582 122.279 122.820 0.068 0.000 2.067 457 A HA -0.087 4.234 4.320 0.000 0.000 0.219 457 A C 2.289 179.947 177.584 0.124 0.000 1.158 457 A CA 1.202 53.285 52.037 0.077 0.000 0.661 457 A CB -0.533 18.501 19.000 0.055 0.000 0.801 457 A HN 0.221 nan 8.150 nan 0.000 0.452 458 V N -0.108 119.902 119.914 0.161 0.000 2.295 458 V HA -0.183 3.937 4.120 0.000 0.000 0.246 458 V C 2.821 179.101 176.094 0.310 0.000 1.049 458 V CA 1.951 64.415 62.300 0.273 0.000 1.024 458 V CB -1.454 30.486 31.823 0.196 0.000 0.648 458 V HN 0.578 nan 8.190 nan 0.000 0.447 459 G N -0.621 108.310 108.800 0.219 0.000 2.448 459 G HA2 -0.161 3.799 3.960 0.000 0.000 0.219 459 G HA3 -0.161 3.799 3.960 0.000 0.000 0.219 459 G C 1.666 176.680 174.900 0.190 0.000 1.127 459 G CA 1.126 46.360 45.100 0.223 0.000 0.766 459 G HN 0.616 nan 8.290 nan 0.000 0.552 460 A N 0.151 123.058 122.820 0.144 0.000 1.878 460 A HA 0.070 4.391 4.320 0.000 0.000 0.213 460 A C 2.243 179.864 177.584 0.061 0.000 1.192 460 A CA 1.759 53.852 52.037 0.093 0.000 0.619 460 A CB -0.490 18.545 19.000 0.058 0.000 0.837 460 A HN 0.426 nan 8.150 nan 0.000 0.446 461 Q N -1.101 118.718 119.800 0.033 0.000 2.020 461 Q HA -0.098 4.242 4.340 0.000 0.000 0.202 461 Q C -0.301 175.542 176.000 -0.261 0.000 0.982 461 Q CA 1.028 56.745 55.803 -0.144 0.000 0.838 461 Q CB -0.195 28.394 28.738 -0.247 0.000 0.899 461 Q HN 0.492 nan 8.270 nan 0.000 0.423 462 F N 0.928 120.916 119.950 0.065 0.000 2.371 462 F HA 0.241 4.768 4.527 0.000 0.000 0.329 462 F C -0.025 175.818 175.800 0.072 0.000 1.107 462 F CA -0.722 57.317 58.000 0.065 0.000 1.137 462 F CB 0.716 39.756 39.000 0.066 0.000 1.214 462 F HN -0.009 nan 8.300 nan 0.000 0.536 463 N N 2.449 121.282 118.700 0.221 0.000 3.083 463 N HA 0.346 5.086 4.740 0.000 0.000 0.260 463 N C -1.141 174.470 175.510 0.168 0.000 1.163 463 N CA -0.021 53.126 53.050 0.162 0.000 1.060 463 N CB 0.048 38.606 38.487 0.119 0.000 1.345 463 N HN 0.392 nan 8.380 nan 0.000 0.515 464 I N 2.801 123.485 120.570 0.190 0.000 2.412 464 I HA 0.303 4.473 4.170 0.000 0.000 0.279 464 I C -2.162 174.081 176.117 0.211 0.000 1.063 464 I CA -1.983 59.425 61.300 0.179 0.000 1.193 464 I CB 0.911 39.016 38.000 0.175 0.000 1.370 464 I HN 0.129 nan 8.210 nan 0.000 0.479 465 P HA 0.323 nan 4.420 nan 0.000 0.288 465 P C -1.425 176.023 177.300 0.248 0.000 1.267 465 P CA -0.106 63.101 63.100 0.178 0.000 0.815 465 P CB 1.130 32.905 31.700 0.125 0.000 0.989 466 Y N 0.345 120.673 120.300 0.046 0.000 2.750 466 Y HA 0.652 5.202 4.550 0.000 0.000 0.335 466 Y C -1.748 174.180 175.900 0.046 0.000 1.252 466 Y CA -1.405 56.700 58.100 0.009 0.000 1.064 466 Y CB 0.652 39.093 38.460 -0.031 0.000 1.321 466 Y HN 0.117 nan 8.280 nan 0.000 0.451 467 I N 2.044 122.561 120.570 -0.088 0.000 2.378 467 I HA 0.307 4.477 4.170 0.000 0.000 0.291 467 I C -1.103 174.974 176.117 -0.067 0.000 0.992 467 I CA -0.560 60.670 61.300 -0.116 0.000 1.154 467 I CB 1.474 39.491 38.000 0.028 0.000 1.315 467 I HN 0.726 nan 8.210 nan 0.000 0.448 468 H N 5.212 124.194 119.070 -0.148 0.000 2.595 468 H HA 0.450 5.006 4.556 0.000 0.000 0.313 468 H C -1.039 174.336 175.328 0.079 0.000 1.023 468 H CA -0.651 55.436 56.048 0.065 0.000 1.218 468 H CB 1.274 31.111 29.762 0.125 0.000 1.403 468 H HN 0.296 nan 8.280 nan 0.000 0.477 469 V N 7.168 127.266 119.914 0.306 0.000 2.408 469 V HA 0.073 4.193 4.120 0.000 0.000 0.267 469 V C 0.105 176.322 176.094 0.204 0.000 1.047 469 V CA -0.349 62.111 62.300 0.268 0.000 0.937 469 V CB 0.865 32.869 31.823 0.302 0.000 0.999 469 V HN 0.625 nan 8.190 nan 0.000 0.472 470 L N 7.343 128.564 121.223 -0.004 0.000 2.294 470 L HA 0.584 4.925 4.340 0.000 0.000 0.283 470 L C -0.283 176.507 176.870 -0.134 0.000 1.015 470 L CA -0.691 54.028 54.840 -0.203 0.000 0.831 470 L CB 1.586 43.263 42.059 -0.638 0.000 1.217 470 L HN 0.628 nan 8.230 nan 0.000 0.420 471 V N 1.920 121.805 119.914 -0.047 0.000 2.333 471 V HA 0.491 4.611 4.120 0.000 0.000 0.274 471 V C -0.358 175.738 176.094 0.002 0.000 1.028 471 V CA -0.527 61.760 62.300 -0.023 0.000 0.851 471 V CB 1.125 32.956 31.823 0.014 0.000 1.000 471 V HN 0.789 nan 8.190 nan 0.000 0.456 472 N N 4.806 123.511 118.700 0.009 0.000 2.444 472 N HA 0.389 5.130 4.740 0.000 0.000 0.262 472 N C 0.197 175.840 175.510 0.221 0.000 0.974 472 N CA -0.374 52.740 53.050 0.106 0.000 0.933 472 N CB 1.492 40.047 38.487 0.113 0.000 1.137 472 N HN 0.903 nan 8.380 nan 0.000 0.498 473 N N 2.951 121.774 118.700 0.204 0.000 2.197 473 N HA 0.142 4.883 4.740 0.000 0.000 0.228 473 N C 0.066 175.614 175.510 0.063 0.000 1.212 473 N CA 0.161 53.325 53.050 0.190 0.000 0.883 473 N CB 0.053 38.628 38.487 0.148 0.000 1.107 473 N HN 0.470 nan 8.380 nan 0.000 0.519 474 A N -0.664 122.184 122.820 0.046 0.000 2.704 474 A HA -0.242 4.078 4.320 0.000 0.000 0.299 474 A C -0.892 176.590 177.584 -0.171 0.000 1.507 474 A CA 0.933 52.908 52.037 -0.104 0.000 0.776 474 A CB -2.596 16.170 19.000 -0.390 0.000 1.027 474 A HN 0.620 nan 8.150 nan 0.000 0.475 475 Y N -2.425 117.840 120.300 -0.058 0.000 2.552 475 Y HA 0.489 5.039 4.550 0.000 0.000 0.337 475 Y C 0.342 176.178 175.900 -0.107 0.000 1.094 475 Y CA -1.059 56.984 58.100 -0.095 0.000 1.028 475 Y CB 1.368 39.777 38.460 -0.085 0.000 1.321 475 Y HN 0.194 nan 8.280 nan 0.000 0.456 476 L N 3.825 125.077 121.223 0.048 0.000 2.395 476 L HA 0.180 4.520 4.340 0.000 0.000 0.268 476 L C 1.239 178.136 176.870 0.046 0.000 1.223 476 L CA 0.257 55.068 54.840 -0.049 0.000 1.093 476 L CB -0.378 41.553 42.059 -0.214 0.000 1.349 476 L HN 1.055 nan 8.230 nan 0.000 0.427 477 G N 2.121 110.950 108.800 0.048 0.000 2.459 477 G HA2 -0.290 3.670 3.960 0.000 0.000 0.217 477 G HA3 -0.290 3.670 3.960 0.000 0.000 0.217 477 G C 1.352 176.210 174.900 -0.069 0.000 1.183 477 G CA 0.506 45.579 45.100 -0.044 0.000 0.776 477 G HN 0.516 nan 8.290 nan 0.000 0.552 478 L N 0.785 121.996 121.223 -0.020 0.000 2.042 478 L HA -0.068 4.272 4.340 0.000 0.000 0.210 478 L C 2.588 179.444 176.870 -0.023 0.000 1.076 478 L CA 1.446 56.272 54.840 -0.022 0.000 0.749 478 L CB -0.329 41.734 42.059 0.006 0.000 0.893 478 L HN 0.154 nan 8.230 nan 0.000 0.432 479 I N -0.566 119.999 120.570 -0.008 0.000 2.252 479 I HA -0.222 3.948 4.170 0.000 0.000 0.245 479 I C 2.633 178.747 176.117 -0.006 0.000 1.102 479 I CA 1.243 62.544 61.300 0.002 0.000 1.385 479 I CB -1.573 36.429 38.000 0.003 0.000 1.064 479 I HN 0.418 nan 8.210 nan 0.000 0.414 480 R N 1.123 121.604 120.500 -0.032 0.000 2.096 480 R HA -0.270 4.071 4.340 0.000 0.000 0.240 480 R C 2.316 178.561 176.300 -0.092 0.000 1.139 480 R CA 2.271 58.330 56.100 -0.069 0.000 0.952 480 R CB -0.316 29.844 30.300 -0.233 0.000 0.854 480 R HN 0.468 nan 8.270 nan 0.000 0.436 481 Q N 0.193 119.917 119.800 -0.126 0.000 2.084 481 Q HA -0.151 4.189 4.340 0.000 0.000 0.202 481 Q C 1.982 177.942 176.000 -0.066 0.000 0.978 481 Q CA 2.364 58.078 55.803 -0.147 0.000 0.844 481 Q CB -0.079 28.546 28.738 -0.188 0.000 0.898 481 Q HN 0.499 nan 8.270 nan 0.000 0.426 482 S N -0.481 115.213 115.700 -0.010 0.000 2.423 482 S HA -0.161 4.310 4.470 0.000 0.000 0.231 482 S C 1.651 176.337 174.600 0.142 0.000 1.014 482 S CA 1.064 59.300 58.200 0.059 0.000 0.965 482 S CB -0.180 63.063 63.200 0.073 0.000 0.785 482 S HN 0.469 nan 8.310 nan 0.000 0.495 483 Q N 0.392 120.264 119.800 0.120 0.000 2.472 483 Q HA 0.148 4.488 4.340 0.000 0.000 0.208 483 Q C 2.176 178.284 176.000 0.180 0.000 0.958 483 Q CA 0.241 56.164 55.803 0.199 0.000 0.932 483 Q CB -0.069 28.741 28.738 0.121 0.000 1.007 483 Q HN 0.611 nan 8.270 nan 0.000 0.508 484 R N 0.430 120.979 120.500 0.081 0.000 2.091 484 R HA -0.146 4.194 4.340 0.000 0.000 0.238 484 R C 2.232 178.555 176.300 0.038 0.000 1.136 484 R CA 1.375 57.499 56.100 0.040 0.000 0.959 484 R CB -0.360 29.934 30.300 -0.009 0.000 0.856 484 R HN 0.180 nan 8.270 nan 0.000 0.437 485 A N 0.186 123.013 122.820 0.011 0.000 2.019 485 A HA -0.125 4.195 4.320 0.000 0.000 0.219 485 A C 1.445 178.866 177.584 -0.271 0.000 1.164 485 A CA 1.154 53.105 52.037 -0.142 0.000 0.644 485 A CB -0.399 18.462 19.000 -0.232 0.000 0.805 485 A HN 0.274 nan 8.150 nan 0.000 0.449 486 F N -0.381 119.576 119.950 0.012 0.000 2.693 486 F HA 0.226 4.753 4.527 0.000 0.000 0.303 486 F C 0.703 176.506 175.800 0.004 0.000 1.097 486 F CA -0.050 57.956 58.000 0.010 0.000 1.330 486 F CB -0.262 38.748 39.000 0.017 0.000 1.067 486 F HN 0.259 nan 8.300 nan 0.000 0.565 490 Y N 2.892 123.214 120.300 0.035 0.000 2.332 490 Y HA 0.322 4.872 4.550 0.000 0.000 0.325 490 Y C 0.367 176.263 175.900 -0.006 0.000 1.054 490 Y CA -0.801 57.304 58.100 0.008 0.000 1.119 490 Y CB 0.724 39.182 38.460 -0.004 0.000 1.168 490 Y HN 0.529 nan 8.280 nan 0.000 0.439 491 C N 3.648 122.725 119.300 -0.372 0.000 4.397 491 C HA -0.174 4.286 4.460 0.000 0.000 0.291 491 C C 1.395 176.257 174.990 -0.214 0.000 1.408 491 C CA 1.144 59.928 59.018 -0.389 0.000 1.971 491 C CB -2.963 24.421 27.740 -0.593 0.000 1.258 491 C HN 0.979 nan 8.230 nan 0.000 0.795 492 V N -3.938 115.905 119.914 -0.118 0.000 3.477 492 V HA 0.265 4.385 4.120 0.000 0.000 0.297 492 V C 0.631 176.647 176.094 -0.129 0.000 1.433 492 V CA 0.439 62.694 62.300 -0.074 0.000 1.052 492 V CB -0.044 31.822 31.823 0.071 0.000 0.895 492 V HN 0.637 nan 8.190 nan 0.000 0.438 493 Q N 0.535 120.178 119.800 -0.261 0.000 2.235 493 Q HA 0.613 4.953 4.340 0.000 0.000 0.250 493 Q C 0.008 175.837 176.000 -0.285 0.000 0.909 493 Q CA -0.344 55.161 55.803 -0.496 0.000 0.910 493 Q CB 2.431 30.871 28.738 -0.496 0.000 1.223 493 Q HN 0.428 nan 8.270 nan 0.000 0.432 494 L N 0.968 122.035 121.223 -0.260 0.000 2.766 494 L HA 0.336 4.676 4.340 0.000 0.000 0.242 494 L C 0.419 177.297 176.870 0.013 0.000 1.136 494 L CA -0.266 54.543 54.840 -0.051 0.000 0.933 494 L CB 0.639 42.714 42.059 0.027 0.000 1.241 494 L HN 0.547 nan 8.230 nan 0.000 0.522 495 A N 1.242 123.983 122.820 -0.131 0.000 2.440 495 A HA 0.535 4.855 4.320 0.000 0.000 0.251 495 A C -0.523 177.099 177.584 0.065 0.000 1.089 495 A CA 0.098 52.048 52.037 -0.145 0.000 0.779 495 A CB -0.113 18.730 19.000 -0.262 0.000 1.022 495 A HN 0.290 nan 8.150 nan 0.000 0.492 496 F N -0.761 119.161 119.950 -0.047 0.000 2.713 496 F HA 0.563 5.090 4.527 0.001 0.000 0.311 496 F C -0.614 175.188 175.800 0.003 0.000 1.141 496 F CA -1.204 56.781 58.000 -0.026 0.000 0.939 496 F CB 1.153 40.139 39.000 -0.023 0.000 1.325 496 F HN 0.377 nan 8.300 nan 0.000 0.453 497 E N 2.313 122.627 120.200 0.189 0.000 2.104 497 E HA 0.065 4.415 4.350 0.000 0.000 0.278 497 E C -0.759 175.957 176.600 0.194 0.000 1.127 497 E CA -0.177 56.283 56.400 0.100 0.000 0.897 497 E CB 0.470 30.225 29.700 0.092 0.000 1.043 497 E HN 0.527 nan 8.360 nan 0.000 0.410 498 N N 3.847 122.568 118.700 0.036 0.000 2.431 498 N HA -0.012 4.729 4.740 0.000 0.000 0.265 498 N C 1.229 176.805 175.510 0.110 0.000 1.184 498 N CA -0.078 53.046 53.050 0.124 0.000 0.943 498 N CB 0.504 38.967 38.487 -0.039 0.000 1.080 498 N HN 0.517 nan 8.380 nan 0.000 0.477 499 I N 0.873 121.527 120.570 0.140 0.000 2.916 499 I HA -0.095 4.075 4.170 0.000 0.000 0.267 499 I C 0.106 176.258 176.117 0.057 0.000 1.263 499 I CA 1.072 62.422 61.300 0.082 0.000 1.471 499 I CB -0.147 37.895 38.000 0.071 0.000 1.089 499 I HN 0.332 nan 8.210 nan 0.000 0.468 500 N N 0.176 118.912 118.700 0.060 0.000 2.205 500 N HA 0.139 4.880 4.740 0.000 0.000 0.201 500 N C -0.520 175.007 175.510 0.028 0.000 1.128 500 N CA -0.068 53.005 53.050 0.040 0.000 0.867 500 N CB 0.798 39.310 38.487 0.042 0.000 0.996 500 N HN 0.120 nan 8.380 nan 0.000 0.503 501 S N -0.519 115.196 115.700 0.024 0.000 2.461 501 S HA 0.180 4.650 4.470 0.000 0.000 0.216 501 S C 0.287 174.889 174.600 0.003 0.000 1.201 501 S CA -0.624 57.582 58.200 0.009 0.000 1.171 501 S CB 1.257 64.456 63.200 -0.002 0.000 1.169 501 S HN 0.040 nan 8.310 nan 0.000 0.456 502 S N 2.119 117.822 115.700 0.005 0.000 2.402 502 S HA -0.133 4.337 4.470 0.000 0.000 0.229 502 S C 1.684 176.281 174.600 -0.004 0.000 1.021 502 S CA 1.160 59.359 58.200 -0.001 0.000 0.974 502 S CB -0.145 63.051 63.200 -0.007 0.000 0.800 502 S HN 0.719 nan 8.310 nan 0.000 0.484 503 E N 1.499 121.701 120.200 0.004 0.000 2.171 503 E HA -0.139 4.211 4.350 0.000 0.000 0.197 503 E C 1.989 178.643 176.600 0.090 0.000 0.997 503 E CA 1.322 57.737 56.400 0.025 0.000 0.810 503 E CB -0.609 29.129 29.700 0.063 0.000 0.738 503 E HN 0.618 nan 8.360 nan 0.000 0.467 504 V N -1.698 118.247 119.914 0.051 0.000 3.573 504 V HA 0.045 4.165 4.120 0.000 0.000 0.270 504 V C 0.450 176.563 176.094 0.032 0.000 1.221 504 V CA 0.206 62.523 62.300 0.027 0.000 1.163 504 V CB -0.578 31.224 31.823 -0.035 0.000 0.847 504 V HN 0.234 nan 8.190 nan 0.000 0.468 505 N N 1.379 120.103 118.700 0.041 0.000 2.725 505 N HA -0.199 4.541 4.740 0.000 0.000 0.251 505 N C 1.115 176.722 175.510 0.161 0.000 1.031 505 N CA 1.362 54.458 53.050 0.077 0.000 0.720 505 N CB -1.440 37.091 38.487 0.073 0.000 0.930 505 N HN 1.425 nan 8.380 nan 0.000 0.543 506 G N -1.158 107.687 108.800 0.075 0.000 2.179 506 G HA2 -0.378 3.582 3.960 0.000 0.000 0.257 506 G HA3 -0.378 3.582 3.960 0.000 0.000 0.257 506 G C 0.583 175.490 174.900 0.011 0.000 1.010 506 G CA 0.616 45.729 45.100 0.022 0.000 0.736 506 G HN 0.526 nan 8.290 nan 0.000 0.513 507 Y N 0.271 120.469 120.300 -0.169 0.000 2.544 507 Y HA 0.342 4.892 4.550 0.000 0.000 0.286 507 Y C 2.324 178.017 175.900 -0.345 0.000 1.141 507 Y CA 1.245 59.240 58.100 -0.176 0.000 1.299 507 Y CB 0.148 38.555 38.460 -0.088 0.000 1.030 507 Y HN 1.028 nan 8.280 nan 0.000 0.543 508 G N -0.454 108.035 108.800 -0.517 0.000 3.138 508 G HA2 -0.270 3.690 3.960 0.000 0.000 0.247 508 G HA3 -0.270 3.690 3.960 0.000 0.000 0.247 508 G C -0.462 173.913 174.900 -0.875 0.000 1.642 508 G CA -0.367 43.914 45.100 -1.365 0.000 1.087 508 G HN -0.058 nan 8.290 nan 0.000 0.558 509 V N 2.858 122.509 119.914 -0.439 0.000 2.673 509 V HA 0.375 4.496 4.120 0.000 0.000 0.303 509 V C 0.349 176.196 176.094 -0.412 0.000 1.046 509 V CA 0.854 62.991 62.300 -0.272 0.000 1.126 509 V CB 1.519 33.214 31.823 -0.214 0.000 0.934 509 V HN 0.633 nan 8.190 nan 0.000 0.487 510 D N 3.127 123.383 120.400 -0.239 0.000 2.468 510 D HA 0.186 4.827 4.640 0.000 0.000 0.218 510 D C 0.998 177.228 176.300 -0.117 0.000 1.155 510 D CA -0.156 53.746 54.000 -0.163 0.000 0.924 510 D CB 0.292 41.057 40.800 -0.058 0.000 1.029 510 D HN 0.636 nan 8.370 nan 0.000 0.515 511 H N 1.193 120.284 119.070 0.036 0.000 2.457 511 H HA -0.063 4.493 4.556 0.000 0.000 0.294 511 H C 2.020 177.379 175.328 0.051 0.000 1.064 511 H CA 0.752 56.845 56.048 0.075 0.000 1.330 511 H CB 0.578 30.338 29.762 -0.004 0.000 1.395 511 H HN 0.227 nan 8.280 nan 0.000 0.541 512 V N 0.914 120.886 119.914 0.097 0.000 2.307 512 V HA -0.231 3.889 4.120 0.000 0.000 0.245 512 V C 2.101 178.224 176.094 0.049 0.000 1.045 512 V CA 1.759 64.090 62.300 0.052 0.000 1.024 512 V CB -0.257 31.574 31.823 0.012 0.000 0.651 512 V HN 0.379 nan 8.190 nan 0.000 0.449 513 K N -0.419 120.004 120.400 0.039 0.000 2.097 513 K HA -0.121 4.199 4.320 0.000 0.000 0.206 513 K C 2.045 178.674 176.600 0.050 0.000 1.049 513 K CA 1.315 57.623 56.287 0.034 0.000 0.933 513 K CB -0.327 32.188 32.500 0.025 0.000 0.717 513 K HN 0.324 nan 8.250 nan 0.000 0.442 514 V N 1.292 121.251 119.914 0.076 0.000 2.295 514 V HA -0.256 3.864 4.120 0.000 0.000 0.246 514 V C 2.337 178.489 176.094 0.097 0.000 1.049 514 V CA 2.082 64.439 62.300 0.094 0.000 1.024 514 V CB -0.653 31.255 31.823 0.140 0.000 0.648 514 V HN 0.355 nan 8.190 nan 0.000 0.447 515 A N -0.511 122.387 122.820 0.130 0.000 1.902 515 A HA -0.235 4.085 4.320 0.000 0.000 0.217 515 A C 2.183 179.799 177.584 0.053 0.000 1.181 515 A CA 1.866 53.971 52.037 0.113 0.000 0.623 515 A CB -0.450 18.637 19.000 0.145 0.000 0.818 515 A HN 0.621 nan 8.150 nan 0.000 0.443 516 E N -0.748 119.473 120.200 0.034 0.000 2.072 516 E HA -0.097 4.254 4.350 0.000 0.000 0.191 516 E C 2.158 178.761 176.600 0.004 0.000 0.985 516 E CA 0.714 57.115 56.400 0.002 0.000 0.801 516 E CB -0.369 29.327 29.700 -0.006 0.000 0.750 516 E HN 0.607 nan 8.360 nan 0.000 0.452 517 G N 1.176 109.987 108.800 0.018 0.000 2.442 517 G HA2 -0.236 3.724 3.960 0.000 0.000 0.219 517 G HA3 -0.236 3.724 3.960 0.000 0.000 0.219 517 G C 1.452 176.362 174.900 0.017 0.000 1.141 517 G CA 0.476 45.586 45.100 0.017 0.000 0.763 517 G HN 0.121 nan 8.290 nan 0.000 0.554 518 L N 0.320 121.558 121.223 0.025 0.000 2.610 518 L HA 0.259 4.599 4.340 0.000 0.000 0.232 518 L C 1.988 178.871 176.870 0.022 0.000 1.149 518 L CA 0.518 55.373 54.840 0.026 0.000 0.872 518 L CB 0.079 42.157 42.059 0.031 0.000 0.992 518 L HN 0.400 nan 8.230 nan 0.000 0.447 519 G N -1.560 107.245 108.800 0.009 0.000 2.163 519 G HA2 -0.212 3.748 3.960 0.000 0.000 0.213 519 G HA3 -0.212 3.748 3.960 0.000 0.000 0.213 519 G C 0.140 175.031 174.900 -0.016 0.000 0.991 519 G CA -0.167 44.931 45.100 -0.003 0.000 0.653 519 G HN 0.297 nan 8.290 nan 0.000 0.518 520 C N 0.335 119.628 119.300 -0.011 0.000 2.451 520 C HA 0.891 5.351 4.460 0.000 0.000 0.391 520 C C 0.441 175.395 174.990 -0.061 0.000 1.286 520 C CA -0.958 58.048 59.018 -0.019 0.000 1.935 520 C CB 1.728 29.480 27.740 0.020 0.000 2.188 520 C HN 0.371 nan 8.230 nan 0.000 0.523 521 K N 0.673 121.035 120.400 -0.063 0.000 2.156 521 K HA 0.816 5.136 4.320 0.000 0.000 0.250 521 K C -0.701 175.886 176.600 -0.021 0.000 0.955 521 K CA -0.044 56.199 56.287 -0.073 0.000 0.855 521 K CB 1.801 34.244 32.500 -0.094 0.000 1.101 521 K HN 0.871 nan 8.250 nan 0.000 0.434 522 A N 2.435 125.245 122.820 -0.017 0.000 2.547 522 A HA 0.710 5.031 4.320 0.000 0.000 0.297 522 A C -1.178 176.397 177.584 -0.014 0.000 1.056 522 A CA -0.713 51.320 52.037 -0.006 0.000 0.688 522 A CB 0.946 19.951 19.000 0.008 0.000 1.282 522 A HN 0.598 nan 8.150 nan 0.000 0.400 523 I N 0.992 121.547 120.570 -0.026 0.000 2.545 523 I HA 0.584 4.754 4.170 0.000 0.000 0.292 523 I C -0.004 176.059 176.117 -0.090 0.000 1.040 523 I CA -0.624 60.650 61.300 -0.043 0.000 1.068 523 I CB 2.314 40.292 38.000 -0.037 0.000 1.251 523 I HN 0.788 nan 8.210 nan 0.000 0.424 524 R N 4.655 125.089 120.500 -0.110 0.000 2.514 524 R HA 0.784 5.124 4.340 0.000 0.000 0.301 524 R C -1.818 174.331 176.300 -0.252 0.000 0.962 524 R CA -0.454 55.515 56.100 -0.218 0.000 0.882 524 R CB 1.772 31.925 30.300 -0.245 0.000 1.143 524 R HN 0.471 nan 8.270 nan 0.000 0.452 525 V N 5.858 125.552 119.914 -0.366 0.000 2.487 525 V HA 0.360 4.480 4.120 0.000 0.000 0.298 525 V C -0.387 175.455 176.094 -0.420 0.000 1.028 525 V CA -0.423 61.707 62.300 -0.283 0.000 0.860 525 V CB 1.574 33.258 31.823 -0.233 0.000 0.991 525 V HN 0.840 nan 8.190 nan 0.000 0.427 526 F N 1.871 121.759 119.950 -0.104 0.000 2.678 526 F HA 0.352 4.879 4.527 0.000 0.000 0.291 526 F C 1.109 176.860 175.800 -0.082 0.000 1.123 526 F CA 0.050 57.989 58.000 -0.103 0.000 1.395 526 F CB 0.545 39.486 39.000 -0.099 0.000 1.121 526 F HN 0.279 nan 8.300 nan 0.000 0.592 527 K N 0.523 120.976 120.400 0.088 0.000 2.259 527 K HA 0.288 4.608 4.320 0.000 0.000 0.252 527 K C -2.061 174.529 176.600 -0.017 0.000 0.936 527 K CA -1.866 54.442 56.287 0.035 0.000 0.810 527 K CB 1.725 34.246 32.500 0.034 0.000 1.143 527 K HN -0.332 nan 8.250 nan 0.000 0.427 528 P HA -0.241 nan 4.420 nan 0.000 0.217 528 P C 0.891 178.167 177.300 -0.039 0.000 1.150 528 P CA 1.299 64.377 63.100 -0.037 0.000 0.832 528 P CB 0.205 31.886 31.700 -0.031 0.000 0.787 529 E N -0.133 120.052 120.200 -0.024 0.000 2.338 529 E HA -0.163 4.187 4.350 0.000 0.000 0.197 529 E C 0.550 177.130 176.600 -0.034 0.000 1.007 529 E CA 1.059 57.449 56.400 -0.016 0.000 0.849 529 E CB -0.931 28.768 29.700 -0.002 0.000 0.774 529 E HN 0.229 nan 8.360 nan 0.000 0.506 530 D N 0.747 121.117 120.400 -0.050 0.000 2.340 530 D HA 0.140 4.780 4.640 0.000 0.000 0.220 530 D C 1.885 178.094 176.300 -0.152 0.000 1.039 530 D CA 0.100 54.056 54.000 -0.073 0.000 0.866 530 D CB 0.047 40.817 40.800 -0.049 0.000 0.913 530 D HN 0.307 nan 8.370 nan 0.000 0.523 531 I N 0.909 121.366 120.570 -0.190 0.000 2.233 531 I HA -0.190 3.980 4.170 0.000 0.000 0.243 531 I C 2.472 178.319 176.117 -0.450 0.000 1.093 531 I CA 0.780 61.852 61.300 -0.379 0.000 1.380 531 I CB -0.193 37.632 38.000 -0.291 0.000 1.067 531 I HN -0.067 nan 8.210 nan 0.000 0.413 532 A N 1.622 124.340 122.820 -0.170 0.000 1.865 532 A HA -0.131 4.190 4.320 0.000 0.000 0.217 532 A C 0.074 177.634 177.584 -0.041 0.000 1.191 532 A CA 1.866 53.882 52.037 -0.036 0.000 0.623 532 A CB -2.067 16.945 19.000 0.020 0.000 0.826 532 A HN 0.267 nan 8.150 nan 0.000 0.444 533 P HA -0.121 nan 4.420 nan 0.000 0.218 533 P C 1.637 178.913 177.300 -0.040 0.000 1.148 533 P CA 1.875 64.957 63.100 -0.029 0.000 0.822 533 P CB -0.153 31.530 31.700 -0.029 0.000 0.784 534 A N -1.141 121.599 122.820 -0.133 0.000 1.902 534 A HA -0.189 4.131 4.320 0.000 0.000 0.217 534 A C 1.917 179.485 177.584 -0.027 0.000 1.181 534 A CA 1.411 53.364 52.037 -0.141 0.000 0.623 534 A CB -1.713 17.118 19.000 -0.281 0.000 0.818 534 A HN 0.043 nan 8.150 nan 0.000 0.443 535 F N 0.614 120.565 119.950 0.002 0.000 2.171 535 F HA -0.095 4.432 4.527 0.000 0.000 0.300 535 F C 2.461 178.274 175.800 0.021 0.000 1.090 535 F CA 1.196 59.200 58.000 0.008 0.000 1.293 535 F CB -0.603 38.302 39.000 -0.158 0.000 1.013 535 F HN 0.227 nan 8.300 nan 0.000 0.486 536 E N 0.228 120.533 120.200 0.176 0.000 2.047 536 E HA -0.199 4.151 4.350 0.000 0.000 0.191 536 E C 2.175 178.841 176.600 0.109 0.000 0.987 536 E CA 0.999 57.467 56.400 0.114 0.000 0.799 536 E CB -0.657 29.084 29.700 0.068 0.000 0.752 536 E HN 0.525 nan 8.360 nan 0.000 0.449 537 Q N 0.394 120.248 119.800 0.091 0.000 2.096 537 Q HA -0.137 4.203 4.340 0.000 0.000 0.204 537 Q C 2.180 178.249 176.000 0.114 0.000 0.982 537 Q CA 1.686 57.540 55.803 0.084 0.000 0.850 537 Q CB -0.244 28.528 28.738 0.056 0.000 0.901 537 Q HN 0.259 nan 8.270 nan 0.000 0.422 538 A N 1.308 124.217 122.820 0.148 0.000 1.902 538 A HA -0.245 4.075 4.320 0.000 0.000 0.217 538 A C 1.918 179.602 177.584 0.167 0.000 1.181 538 A CA 1.740 53.879 52.037 0.170 0.000 0.623 538 A CB -0.353 18.797 19.000 0.250 0.000 0.818 538 A HN 0.193 nan 8.150 nan 0.000 0.443 539 K N -0.197 120.313 120.400 0.182 0.000 2.103 539 K HA -0.068 4.252 4.320 0.000 0.000 0.207 539 K C 2.239 178.909 176.600 0.117 0.000 1.048 539 K CA 1.258 57.639 56.287 0.156 0.000 0.930 539 K CB -0.334 32.261 32.500 0.158 0.000 0.716 539 K HN 0.464 nan 8.250 nan 0.000 0.444 540 A N 1.238 124.123 122.820 0.108 0.000 1.873 540 A HA -0.037 4.283 4.320 0.000 0.000 0.215 540 A C 1.188 178.833 177.584 0.102 0.000 1.186 540 A CA 0.793 52.883 52.037 0.087 0.000 0.616 540 A CB -0.545 18.501 19.000 0.077 0.000 0.823 540 A HN 0.112 nan 8.150 nan 0.000 0.442 544 Q N -1.013 118.775 119.800 -0.020 0.000 2.089 544 Q HA 0.021 4.361 4.340 0.000 0.000 0.195 544 Q C 1.505 177.395 176.000 -0.185 0.000 0.963 544 Q CA 1.755 57.468 55.803 -0.151 0.000 0.834 544 Q CB -0.167 28.398 28.738 -0.288 0.000 0.906 544 Q HN 0.706 nan 8.270 nan 0.000 0.452 545 Y N -0.084 120.238 120.300 0.036 0.000 2.503 545 Y HA 0.261 4.811 4.550 0.000 0.000 0.278 545 Y C 0.195 176.120 175.900 0.042 0.000 1.111 545 Y CA -0.088 58.034 58.100 0.036 0.000 1.270 545 Y CB 0.812 39.293 38.460 0.034 0.000 1.063 545 Y HN 0.004 nan 8.280 nan 0.000 0.548 546 R N 0.140 120.748 120.500 0.181 0.000 3.423 546 R HA -0.123 4.217 4.340 0.000 0.000 0.271 546 R C -0.939 175.446 176.300 0.142 0.000 1.093 546 R CA 0.786 56.967 56.100 0.135 0.000 0.730 546 R CB -2.699 27.665 30.300 0.106 0.000 1.190 546 R HN 0.281 nan 8.270 nan 0.000 0.437 547 V N -4.460 115.539 119.914 0.142 0.000 3.130 547 V HA 0.774 4.895 4.120 0.000 0.000 0.310 547 V C -2.464 173.672 176.094 0.071 0.000 1.158 547 V CA -2.766 59.602 62.300 0.113 0.000 1.029 547 V CB 2.624 34.500 31.823 0.088 0.000 1.057 547 V HN -0.155 nan 8.190 nan 0.000 0.436 548 P HA 0.272 nan 4.420 nan 0.000 0.266 548 P C -0.819 176.419 177.300 -0.103 0.000 1.195 548 P CA 0.198 63.225 63.100 -0.122 0.000 0.768 548 P CB 0.613 32.265 31.700 -0.080 0.000 0.838 549 V N 4.533 124.354 119.914 -0.156 0.000 2.407 549 V HA 0.216 4.336 4.120 0.000 0.000 0.291 549 V C 0.068 176.139 176.094 -0.038 0.000 1.018 549 V CA -0.708 61.563 62.300 -0.049 0.000 0.842 549 V CB 2.058 33.893 31.823 0.020 0.000 0.996 549 V HN 0.202 nan 8.190 nan 0.000 0.426 550 V N 5.664 125.579 119.914 0.001 0.000 2.432 550 V HA 0.372 4.492 4.120 0.000 0.000 0.275 550 V C 0.019 176.115 176.094 0.004 0.000 1.043 550 V CA -0.443 61.864 62.300 0.012 0.000 0.925 550 V CB 1.763 33.587 31.823 0.001 0.000 0.985 550 V HN 0.618 nan 8.190 nan 0.000 0.466 551 V N 4.950 124.886 119.914 0.036 0.000 2.293 551 V HA 0.315 4.435 4.120 0.000 0.000 0.275 551 V C 0.202 176.255 176.094 -0.068 0.000 1.021 551 V CA -0.503 61.806 62.300 0.015 0.000 0.815 551 V CB 1.211 33.117 31.823 0.138 0.000 1.025 551 V HN 0.949 nan 8.190 nan 0.000 0.448 552 E N 4.095 124.208 120.200 -0.145 0.000 2.229 552 E HA 0.480 4.831 4.350 0.000 0.000 0.283 552 E C -1.227 175.239 176.600 -0.222 0.000 1.030 552 E CA -0.397 55.882 56.400 -0.202 0.000 0.836 552 E CB 1.585 31.163 29.700 -0.203 0.000 1.068 552 E HN 0.475 nan 8.360 nan 0.000 0.401 553 V N 6.301 126.097 119.914 -0.196 0.000 2.384 553 V HA 0.215 4.335 4.120 0.000 0.000 0.287 553 V C 0.003 175.973 176.094 -0.207 0.000 1.020 553 V CA -0.886 61.286 62.300 -0.212 0.000 0.850 553 V CB 1.335 33.067 31.823 -0.152 0.000 0.987 553 V HN 0.676 nan 8.190 nan 0.000 0.436 554 I N 6.380 126.764 120.570 -0.309 0.000 2.347 554 I HA 0.233 4.403 4.170 0.000 0.000 0.294 554 I C 0.276 176.338 176.117 -0.093 0.000 1.090 554 I CA 0.292 61.424 61.300 -0.279 0.000 1.314 554 I CB 0.234 37.912 38.000 -0.537 0.000 1.423 554 I HN 0.416 nan 8.210 nan 0.000 0.503 555 L N 5.710 126.958 121.223 0.042 0.000 2.439 555 L HA 0.301 4.641 4.340 0.000 0.000 0.259 555 L C 1.055 178.023 176.870 0.162 0.000 1.129 555 L CA -0.847 54.036 54.840 0.071 0.000 0.803 555 L CB 0.594 42.692 42.059 0.065 0.000 1.161 555 L HN 0.601 nan 8.230 nan 0.000 0.462 556 E N 1.352 121.606 120.200 0.090 0.000 2.418 556 E HA 0.025 4.375 4.350 0.000 0.000 0.261 556 E C 0.296 176.954 176.600 0.097 0.000 1.070 556 E CA -0.584 55.875 56.400 0.099 0.000 0.931 556 E CB 0.804 30.517 29.700 0.022 0.000 0.954 556 E HN 0.421 nan 8.360 nan 0.000 0.439 557 R N 1.657 122.214 120.500 0.096 0.000 2.075 557 R HA 0.008 4.349 4.340 0.000 0.000 0.232 557 R C 0.244 176.544 176.300 0.000 0.000 1.126 557 R CA 0.812 56.965 56.100 0.089 0.000 0.963 557 R CB -0.106 30.253 30.300 0.098 0.000 0.858 557 R HN 0.462 nan 8.270 nan 0.000 0.435 558 V N 1.685 121.559 119.914 -0.068 0.000 2.407 558 V HA 0.275 4.395 4.120 0.000 0.000 0.291 558 V C -0.524 175.489 176.094 -0.136 0.000 1.018 558 V CA -0.447 61.745 62.300 -0.181 0.000 0.842 558 V CB 1.994 33.706 31.823 -0.186 0.000 0.996 558 V HN 0.106 nan 8.190 nan 0.000 0.426 559 T N 3.963 118.425 114.554 -0.153 0.000 2.928 559 T HA 0.385 4.735 4.350 0.000 0.000 0.296 559 T C -0.430 174.172 174.700 -0.162 0.000 1.000 559 T CA -0.596 61.426 62.100 -0.130 0.000 0.989 559 T CB 1.050 69.859 68.868 -0.099 0.000 1.005 559 T HN 0.630 nan 8.240 nan 0.000 0.442 560 N N 2.995 121.580 118.700 -0.192 0.000 2.420 560 N HA 0.339 5.079 4.740 0.000 0.000 0.249 560 N C -0.284 175.136 175.510 -0.150 0.000 1.033 560 N CA -0.702 52.141 53.050 -0.344 0.000 0.944 560 N CB 0.661 38.691 38.487 -0.763 0.000 1.113 560 N HN 0.404 nan 8.380 nan 0.000 0.502 561 I N 1.477 121.987 120.570 -0.099 0.000 2.581 561 I HA 0.131 4.301 4.170 0.000 0.000 0.288 561 I C 1.219 177.424 176.117 0.146 0.000 1.047 561 I CA -0.078 61.244 61.300 0.036 0.000 1.374 561 I CB 1.110 39.118 38.000 0.014 0.000 1.423 561 I HN 0.447 nan 8.210 nan 0.000 0.549 565 S N -1.259 114.443 115.700 0.004 0.000 2.535 565 S HA 0.381 4.851 4.470 0.000 0.000 0.214 565 S C 0.273 174.870 174.600 -0.005 0.000 0.980 565 S CA 0.425 58.626 58.200 0.000 0.000 0.907 565 S CB 0.226 63.427 63.200 0.002 0.000 0.790 565 S HN 0.514 nan 8.310 nan 0.000 0.510 566 E N 0.293 120.488 120.200 -0.009 0.000 2.408 566 E HA 0.389 4.739 4.350 0.000 0.000 0.275 566 E C 0.425 177.015 176.600 -0.016 0.000 0.935 566 E CA -0.631 55.765 56.400 -0.007 0.000 0.775 566 E CB 1.398 31.096 29.700 -0.004 0.000 1.277 566 E HN 0.069 nan 8.360 nan 0.000 0.455 567 L N 0.489 121.706 121.223 -0.011 0.000 2.079 567 L HA -0.210 4.130 4.340 0.000 0.000 0.210 567 L C 1.344 178.197 176.870 -0.029 0.000 1.081 567 L CA 1.725 56.550 54.840 -0.026 0.000 0.752 567 L CB -0.490 41.560 42.059 -0.015 0.000 0.896 567 L HN 0.506 nan 8.230 nan 0.000 0.433 568 D N -2.370 118.017 120.400 -0.021 0.000 2.325 568 D HA -0.089 4.552 4.640 0.000 0.000 0.225 568 D C 0.956 177.241 176.300 -0.026 0.000 1.096 568 D CA 0.168 54.155 54.000 -0.021 0.000 0.844 568 D CB -0.245 40.545 40.800 -0.016 0.000 0.925 568 D HN 0.171 nan 8.370 nan 0.000 0.513 569 N N -0.372 118.311 118.700 -0.029 0.000 2.167 569 N HA 0.069 4.809 4.740 0.000 0.000 0.234 569 N C -0.597 174.890 175.510 -0.039 0.000 1.312 569 N CA -0.166 52.865 53.050 -0.032 0.000 0.861 569 N CB 0.809 39.283 38.487 -0.022 0.000 1.217 569 N HN -0.088 nan 8.380 nan 0.000 0.504 573 F N 0.429 120.391 119.950 0.020 0.000 2.220 573 F HA 0.085 4.612 4.527 0.000 0.000 0.290 573 F C 1.433 177.253 175.800 0.033 0.000 1.080 573 F CA 0.536 58.546 58.000 0.017 0.000 1.318 573 F CB 0.405 39.405 39.000 0.001 0.000 1.063 573 F HN 0.102 nan 8.300 nan 0.000 0.498 574 E N 0.900 121.248 120.200 0.247 0.000 2.312 574 E HA 0.066 4.416 4.350 0.000 0.000 0.259 574 E C -0.689 176.030 176.600 0.198 0.000 1.122 574 E CA -0.360 56.154 56.400 0.191 0.000 0.922 574 E CB 0.289 30.087 29.700 0.163 0.000 1.109 574 E HN 0.018 nan 8.360 nan 0.000 0.442 575 D N 1.295 121.855 120.400 0.265 0.000 2.493 575 D HA 0.055 4.695 4.640 0.000 0.000 0.240 575 D C 0.598 177.006 176.300 0.181 0.000 1.142 575 D CA 0.267 54.397 54.000 0.215 0.000 0.872 575 D CB 0.185 41.127 40.800 0.237 0.000 1.173 575 D HN 0.286 nan 8.370 nan 0.000 0.467 576 I N -1.172 119.467 120.570 0.116 0.000 3.276 576 I HA 0.644 4.815 4.170 0.000 0.000 0.306 576 I C 0.012 176.181 176.117 0.087 0.000 1.060 576 I CA -0.846 60.514 61.300 0.101 0.000 1.133 576 I CB 0.951 38.993 38.000 0.071 0.000 1.473 576 I HN 0.278 nan 8.210 nan 0.000 0.649 577 A N 1.615 124.489 122.820 0.091 0.000 2.574 577 A HA 0.548 4.868 4.320 0.000 0.000 0.297 577 A C -0.932 176.707 177.584 0.091 0.000 1.062 577 A CA -0.344 51.740 52.037 0.079 0.000 0.686 577 A CB 1.384 20.436 19.000 0.087 0.000 1.285 577 A HN 0.865 nan 8.150 nan 0.000 0.403 578 D N 0.074 120.515 120.400 0.068 0.000 2.540 578 D HA 0.155 4.795 4.640 0.000 0.000 0.229 578 D C -0.235 176.102 176.300 0.062 0.000 1.250 578 D CA 0.033 54.077 54.000 0.074 0.000 0.817 578 D CB 0.007 40.836 40.800 0.048 0.000 1.060 578 D HN 0.471 nan 8.370 nan 0.000 0.508 579 N N -0.689 118.029 118.700 0.030 0.000 2.732 579 N HA 0.443 5.183 4.740 0.000 0.000 0.259 579 N C 0.398 175.801 175.510 -0.179 0.000 1.402 579 N CA -0.406 52.590 53.050 -0.091 0.000 0.829 579 N CB 1.231 39.651 38.487 -0.112 0.000 1.495 579 N HN -0.133 nan 8.380 nan 0.000 0.511 580 A N 0.030 122.521 122.820 -0.548 0.000 2.014 580 A HA 0.250 4.570 4.320 0.000 0.000 0.218 580 A C 2.001 179.436 177.584 -0.248 0.000 1.163 580 A CA 1.681 53.345 52.037 -0.620 0.000 0.652 580 A CB -1.148 17.116 19.000 -1.227 0.000 0.808 580 A HN 0.907 nan 8.150 nan 0.000 0.449 581 A N 0.293 122.980 122.820 -0.223 0.000 1.917 581 A HA -0.227 4.093 4.320 0.000 0.000 0.219 581 A C 1.726 179.226 177.584 -0.141 0.000 1.182 581 A CA 1.982 53.911 52.037 -0.180 0.000 0.633 581 A CB -0.446 18.467 19.000 -0.146 0.000 0.819 581 A HN 0.461 nan 8.150 nan 0.000 0.448 582 D N -0.935 119.419 120.400 -0.077 0.000 2.249 582 D HA 0.224 4.865 4.640 0.000 0.000 0.205 582 D C 0.807 177.131 176.300 0.039 0.000 0.962 582 D CA 1.250 55.229 54.000 -0.035 0.000 0.860 582 D CB 0.081 40.857 40.800 -0.040 0.000 0.955 582 D HN 0.371 nan 8.370 nan 0.000 0.505 583 A N 1.296 124.167 122.820 0.085 0.000 3.258 583 A HA 0.317 4.637 4.320 0.000 0.000 0.318 583 A C -1.898 175.840 177.584 0.256 0.000 0.990 583 A CA -0.857 51.298 52.037 0.196 0.000 0.885 583 A CB 0.814 19.964 19.000 0.250 0.000 1.090 583 A HN -0.124 nan 8.150 nan 0.000 0.479 584 P HA -0.077 nan 4.420 nan 0.000 0.233 584 P C 1.025 178.477 177.300 0.253 0.000 1.167 584 P CA 1.515 64.708 63.100 0.155 0.000 0.770 584 P CB -0.057 31.658 31.700 0.024 0.000 0.837 585 T N -4.400 110.336 114.554 0.303 0.000 3.134 585 T HA 0.146 4.496 4.350 0.000 0.000 0.260 585 T C 0.564 175.537 174.700 0.456 0.000 1.027 585 T CA -0.360 61.950 62.100 0.351 0.000 0.913 585 T CB -0.323 68.773 68.868 0.381 0.000 1.046 585 T HN -0.104 nan 8.240 nan 0.000 0.553 586 E N 2.537 122.949 120.200 0.353 0.000 2.413 586 E HA 0.054 4.404 4.350 0.000 0.000 0.263 586 E C 1.498 178.091 176.600 -0.012 0.000 1.015 586 E CA 0.440 56.914 56.400 0.122 0.000 0.916 586 E CB 1.348 30.983 29.700 -0.110 0.000 0.947 586 E HN 0.556 nan 8.360 nan 0.000 0.440 587 T N -1.336 113.100 114.554 -0.197 0.000 2.881 587 T HA -0.173 4.177 4.350 0.000 0.000 0.270 587 T C 1.955 176.614 174.700 -0.069 0.000 1.068 587 T CA 1.258 63.338 62.100 -0.033 0.000 1.131 587 T CB -0.583 68.179 68.868 -0.177 0.000 0.871 587 T HN 0.672 nan 8.240 nan 0.000 0.479 588 C N -0.131 118.988 119.300 -0.302 0.000 2.481 588 C HA 0.429 4.889 4.460 0.000 0.000 0.275 588 C C 1.142 176.045 174.990 -0.145 0.000 1.419 588 C CA -1.400 57.434 59.018 -0.306 0.000 1.773 588 C CB -1.800 25.661 27.740 -0.466 0.000 1.862 588 C HN 0.457 nan 8.230 nan 0.000 0.530 592 Y N 4.443 124.342 120.300 -0.667 0.000 2.367 592 Y HA 0.346 4.896 4.550 0.001 0.000 0.342 592 Y C 0.603 176.073 175.900 -0.716 0.000 0.979 592 Y CA 0.115 57.852 58.100 -0.605 0.000 1.161 592 Y CB 0.670 38.649 38.460 -0.802 0.000 1.155 592 Y HN 0.702 nan 8.280 nan 0.000 0.503 593 E N 0.000 120.026 120.200 -0.290 0.000 2.725 593 E HA 0.000 4.350 4.350 0.000 0.000 0.291 593 E CA 0.000 56.316 56.400 -0.139 0.000 0.976 593 E CB 0.000 29.637 29.700 -0.104 0.000 0.812 593 E HN 0.000 nan 8.360 nan 0.000 0.440