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 2j2m_1_D DATA FIRST_RESID 6 DATA SEQUENCE KKLTTNQGVP IGDNQNSRTA GRRGPTLLED YQLIEKIAHF DRERVPERVV DATA SEQUENCE HARGFGAHGV FKVKNSMKKY TKAAFLQEEG TEVPVFARFS TVIHGTHSPE DATA SEQUENCE TLRDPRGFSV KFYTEEGNWD FVGNNLPVFF IRDAMKFPDM VHSLKPDPRT DATA SEQUENCE NIQDPDRYWD FMTLRPESTN MLMHIFTDEG IPASYRKMRG SSVHSFKWVN DATA SEQUENCE AHGNTVYIKL RWVPKEGVHN LSADEATEVQ GKDFNHASND TFQAIENGDF DATA SEQUENCE PEWDLFVQVL DPADVENFDF DPLDATKDWF EDVIPFQHVG TMTLNKNVDN DATA SEQUENCE YFAETESVGF NPGVLVPGML PSEDKLLQGR LFSYSDTQRH RIGPNYQQLP DATA SEQUENCE INCPFAQVNN YQRDGAMPFK QQTSSVNYEP NRYQDEPKQT PEYTEDTQPL DATA SEQUENCE HDDIHGRLEI EKTNNFGQAG EVYRRMTEEE QMALLNNLVN DLQQVRHENT DATA SEQUENCE VLLAICNFYR ADASLGEKLS EALNVDIKPF 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.601 176.600 0.002 0.000 0.988 6 K CA 0.000 56.288 56.287 0.003 0.000 0.838 6 K CB 0.000 32.502 32.500 0.003 0.000 1.064 7 K N 2.217 122.618 120.400 0.002 0.000 2.276 7 K HA 0.223 4.452 4.320 -0.152 0.000 0.283 7 K C -0.095 176.507 176.600 0.003 0.000 1.044 7 K CA -0.846 55.442 56.287 0.002 0.000 0.944 7 K CB 0.787 33.288 32.500 0.003 0.000 1.012 7 K HN 0.327 nan 8.250 nan 0.000 0.472 8 L N 3.348 124.573 121.223 0.002 0.000 2.455 8 L HA 0.083 4.332 4.340 -0.152 0.000 0.272 8 L C -0.033 176.840 176.870 0.005 0.000 1.174 8 L CA 0.899 55.740 54.840 0.001 0.000 0.869 8 L CB 0.502 42.561 42.059 -0.001 0.000 1.130 8 L HN 0.793 nan 8.230 nan 0.000 0.474 9 T N 0.683 115.240 114.554 0.006 0.000 2.906 9 T HA 0.653 4.912 4.350 -0.152 0.000 0.295 9 T C 0.171 174.884 174.700 0.021 0.000 1.075 9 T CA -0.150 61.959 62.100 0.015 0.000 1.005 9 T CB 1.150 70.027 68.868 0.014 0.000 1.136 9 T HN 0.868 nan 8.240 nan 0.000 0.498 10 T N 0.082 114.665 114.554 0.048 0.000 2.667 10 T HA 0.210 4.469 4.350 -0.152 0.000 0.305 10 T C 1.128 175.864 174.700 0.061 0.000 1.022 10 T CA -0.144 62.002 62.100 0.077 0.000 0.995 10 T CB -0.251 68.732 68.868 0.191 0.000 1.026 10 T HN 0.690 nan 8.240 nan 0.000 0.527 11 N N 0.270 119.013 118.700 0.072 0.000 2.520 11 N HA -0.076 4.572 4.740 -0.152 0.000 0.185 11 N C 1.577 177.131 175.510 0.073 0.000 1.068 11 N CA 0.154 53.235 53.050 0.051 0.000 0.911 11 N CB 0.008 38.519 38.487 0.041 0.000 0.961 11 N HN 0.495 nan 8.380 nan 0.000 0.446 12 Q N -0.373 119.485 119.800 0.098 0.000 2.403 12 Q HA 0.107 4.356 4.340 -0.152 0.000 0.203 12 Q C 1.192 177.206 176.000 0.023 0.000 0.932 12 Q CA 0.288 56.119 55.803 0.048 0.000 0.945 12 Q CB 0.748 29.490 28.738 0.007 0.000 1.045 12 Q HN 0.451 nan 8.270 nan 0.000 0.511 13 G N 0.606 109.424 108.800 0.030 0.000 2.143 13 G HA2 -0.250 3.619 3.960 -0.152 0.000 0.249 13 G HA3 -0.250 3.619 3.960 -0.152 0.000 0.249 13 G C 0.176 175.083 174.900 0.013 0.000 0.981 13 G CA 0.249 45.359 45.100 0.016 0.000 0.665 13 G HN 0.232 nan 8.290 nan 0.000 0.528 14 V N 2.099 122.025 119.914 0.020 0.000 2.488 14 V HA 0.382 4.411 4.120 -0.152 0.000 0.277 14 V C -1.448 174.658 176.094 0.021 0.000 1.046 14 V CA -1.317 60.992 62.300 0.015 0.000 0.986 14 V CB 1.318 33.149 31.823 0.014 0.000 0.989 14 V HN 0.135 nan 8.190 nan 0.000 0.475 15 P HA 0.231 nan 4.420 nan 0.000 0.271 15 P C -0.381 176.929 177.300 0.017 0.000 1.220 15 P CA 0.045 63.152 63.100 0.012 0.000 0.768 15 P CB 0.441 32.145 31.700 0.007 0.000 0.848 16 I N 2.538 123.118 120.570 0.017 0.000 2.325 16 I HA 0.175 4.254 4.170 -0.152 0.000 0.291 16 I C 1.680 177.803 176.117 0.011 0.000 1.019 16 I CA 0.206 61.517 61.300 0.018 0.000 1.302 16 I CB 1.317 39.327 38.000 0.016 0.000 1.401 16 I HN 0.486 nan 8.210 nan 0.000 0.485 17 G N 4.315 113.122 108.800 0.011 0.000 2.396 17 G HA2 -0.114 3.755 3.960 -0.152 0.000 0.214 17 G HA3 -0.114 3.755 3.960 -0.152 0.000 0.214 17 G C 0.286 175.189 174.900 0.004 0.000 1.166 17 G CA 0.485 45.589 45.100 0.007 0.000 0.793 17 G HN 0.603 nan 8.290 nan 0.000 0.533 18 D N -0.767 119.636 120.400 0.005 0.000 2.479 18 D HA 0.140 4.689 4.640 -0.152 0.000 0.246 18 D C -0.534 175.764 176.300 -0.003 0.000 1.336 18 D CA -0.694 53.306 54.000 0.000 0.000 0.967 18 D CB 0.882 41.683 40.800 0.001 0.000 1.275 18 D HN -0.074 nan 8.370 nan 0.000 0.577 19 N N 2.174 120.870 118.700 -0.007 0.000 2.276 19 N HA 0.028 4.677 4.740 -0.152 0.000 0.212 19 N C 0.482 175.980 175.510 -0.020 0.000 1.127 19 N CA 0.335 53.377 53.050 -0.014 0.000 0.834 19 N CB 0.403 38.881 38.487 -0.014 0.000 1.014 19 N HN 0.337 nan 8.380 nan 0.000 0.491 20 Q N -1.201 118.589 119.800 -0.017 0.000 2.342 20 Q HA 0.280 4.528 4.340 -0.152 0.000 0.261 20 Q C -0.545 175.443 176.000 -0.020 0.000 0.841 20 Q CA 0.334 56.125 55.803 -0.020 0.000 0.969 20 Q CB 0.460 29.188 28.738 -0.016 0.000 1.136 20 Q HN 0.230 nan 8.270 nan 0.000 0.528 21 N N 0.883 119.574 118.700 -0.015 0.000 2.314 21 N HA 0.323 4.972 4.740 -0.152 0.000 0.294 21 N C -0.774 174.729 175.510 -0.012 0.000 1.029 21 N CA -0.167 52.875 53.050 -0.013 0.000 0.845 21 N CB 2.029 40.511 38.487 -0.009 0.000 1.321 21 N HN -0.141 nan 8.380 nan 0.000 0.481 22 S N 0.728 116.420 115.700 -0.014 0.000 2.593 22 S HA 0.135 4.514 4.470 -0.152 0.000 0.269 22 S C 0.656 175.254 174.600 -0.003 0.000 1.334 22 S CA -0.382 57.812 58.200 -0.011 0.000 1.015 22 S CB 1.019 64.210 63.200 -0.014 0.000 0.912 22 S HN 0.392 nan 8.310 nan 0.000 0.541 23 R N 1.815 122.316 120.500 0.002 0.000 2.216 23 R HA 0.268 4.516 4.340 -0.152 0.000 0.332 23 R C -0.337 175.966 176.300 0.005 0.000 1.056 23 R CA -0.143 55.961 56.100 0.006 0.000 0.901 23 R CB 0.018 30.326 30.300 0.014 0.000 1.039 23 R HN 0.790 nan 8.270 nan 0.000 0.456 24 T N 0.514 115.070 114.554 0.004 0.000 2.908 24 T HA 0.497 4.756 4.350 -0.152 0.000 0.290 24 T C 0.075 174.777 174.700 0.004 0.000 1.034 24 T CA -0.969 61.133 62.100 0.003 0.000 1.010 24 T CB 1.967 70.835 68.868 0.000 0.000 1.068 24 T HN 0.518 nan 8.240 nan 0.000 0.481 25 A N 1.555 124.378 122.820 0.004 0.000 3.026 25 A HA 0.644 4.873 4.320 -0.152 0.000 0.272 25 A C 1.188 178.774 177.584 0.003 0.000 1.782 25 A CA 0.182 52.221 52.037 0.004 0.000 1.451 25 A CB -1.696 17.306 19.000 0.005 0.000 1.081 25 A HN 2.104 nan 8.150 nan 0.000 0.611 26 G N 0.286 109.087 108.800 0.002 0.000 2.675 26 G HA2 -0.134 3.734 3.960 -0.152 0.000 0.686 26 G HA3 -0.134 3.734 3.960 -0.152 0.000 0.686 26 G C 0.449 175.350 174.900 0.001 0.000 1.215 26 G CA -0.043 45.058 45.100 0.002 0.000 0.777 26 G HN 0.791 nan 8.290 nan 0.000 0.638 27 R N 0.138 120.638 120.500 0.000 0.000 2.133 27 R HA -0.112 4.137 4.340 -0.152 0.000 0.247 27 R C 1.910 178.209 176.300 -0.001 0.000 1.151 27 R CA 2.098 58.198 56.100 -0.001 0.000 0.971 27 R CB -0.127 30.173 30.300 -0.001 0.000 0.866 27 R HN 0.534 nan 8.270 nan 0.000 0.447 28 R N -0.828 119.671 120.500 -0.001 0.000 2.629 28 R HA 0.214 4.463 4.340 -0.152 0.000 0.386 28 R C -0.007 176.293 176.300 -0.001 0.000 1.071 28 R CA -0.030 56.069 56.100 -0.001 0.000 1.104 28 R CB 1.678 31.977 30.300 -0.001 0.000 1.370 28 R HN 0.126 nan 8.270 nan 0.000 0.574 29 G N 1.934 110.734 108.800 -0.000 0.000 2.511 29 G HA2 0.401 4.270 3.960 -0.152 0.000 0.316 29 G HA3 0.401 4.270 3.960 -0.152 0.000 0.316 29 G C -2.365 172.535 174.900 0.000 0.000 1.210 29 G CA -1.148 43.952 45.100 0.001 0.000 0.969 29 G HN -0.126 nan 8.290 nan 0.000 0.492 30 P HA 0.171 nan 4.420 nan 0.000 0.272 30 P C 0.010 177.311 177.300 0.002 0.000 1.223 30 P CA -0.044 63.057 63.100 0.001 0.000 0.784 30 P CB 0.575 32.277 31.700 0.002 0.000 0.923 31 T N 2.170 116.725 114.554 0.001 0.000 2.919 31 T HA 0.242 4.501 4.350 -0.152 0.000 0.302 31 T C 0.482 175.186 174.700 0.005 0.000 1.031 31 T CA -0.194 61.907 62.100 0.001 0.000 1.127 31 T CB 0.035 68.902 68.868 -0.002 0.000 0.952 31 T HN 0.192 nan 8.240 nan 0.000 0.540 32 L N 3.576 124.803 121.223 0.008 0.000 2.305 32 L HA 0.260 4.508 4.340 -0.152 0.000 0.281 32 L C 1.420 178.300 176.870 0.017 0.000 1.085 32 L CA -0.621 54.227 54.840 0.013 0.000 0.813 32 L CB 0.984 43.053 42.059 0.016 0.000 1.157 32 L HN 0.568 nan 8.230 nan 0.000 0.436 33 L N 2.865 124.099 121.223 0.019 0.000 2.353 33 L HA -0.185 4.064 4.340 -0.152 0.000 0.220 33 L C 2.152 179.045 176.870 0.038 0.000 1.133 33 L CA 1.659 56.513 54.840 0.024 0.000 0.798 33 L CB -0.427 41.646 42.059 0.023 0.000 0.922 33 L HN 0.780 nan 8.230 nan 0.000 0.445 34 E N -2.022 118.202 120.200 0.040 0.000 2.502 34 E HA -0.126 4.132 4.350 -0.152 0.000 0.194 34 E C 0.455 177.100 176.600 0.076 0.000 1.062 34 E CA 0.131 56.566 56.400 0.058 0.000 0.867 34 E CB -0.426 29.301 29.700 0.044 0.000 0.888 34 E HN 0.318 nan 8.360 nan 0.000 0.510 35 D N 0.985 121.417 120.400 0.054 0.000 2.540 35 D HA -0.101 4.447 4.640 -0.152 0.000 0.237 35 D C 0.188 176.524 176.300 0.061 0.000 1.181 35 D CA -0.063 53.968 54.000 0.052 0.000 1.119 35 D CB -0.310 40.501 40.800 0.019 0.000 1.119 35 D HN 0.319 nan 8.370 nan 0.000 0.498 36 Y N 2.592 122.896 120.300 0.006 0.000 2.165 36 Y HA -0.266 4.193 4.550 -0.152 0.000 0.286 36 Y C 2.209 178.115 175.900 0.010 0.000 1.155 36 Y CA 2.167 60.273 58.100 0.009 0.000 1.164 36 Y CB 0.002 38.467 38.460 0.008 0.000 0.978 36 Y HN 0.394 nan 8.280 nan 0.000 0.513 37 Q N -0.104 119.718 119.800 0.037 0.000 2.030 37 Q HA -0.263 3.986 4.340 -0.152 0.000 0.204 37 Q C 2.298 178.224 176.000 -0.123 0.000 0.986 37 Q CA 2.144 57.924 55.803 -0.038 0.000 0.843 37 Q CB -0.451 28.319 28.738 0.052 0.000 0.904 37 Q HN 0.595 nan 8.270 nan 0.000 0.420 38 L N 0.691 121.867 121.223 -0.078 0.000 1.970 38 L HA -0.202 4.047 4.340 -0.152 0.000 0.212 38 L C 2.209 179.014 176.870 -0.109 0.000 1.071 38 L CA 1.818 56.612 54.840 -0.076 0.000 0.751 38 L CB -0.449 41.583 42.059 -0.044 0.000 0.889 38 L HN 0.346 nan 8.230 nan 0.000 0.432 39 I N -0.643 119.844 120.570 -0.139 0.000 2.315 39 I HA -0.261 3.817 4.170 -0.152 0.000 0.248 39 I C 2.547 178.546 176.117 -0.196 0.000 1.117 39 I CA 1.509 62.728 61.300 -0.136 0.000 1.404 39 I CB -0.449 37.486 38.000 -0.107 0.000 1.071 39 I HN 0.479 nan 8.210 nan 0.000 0.419 40 E N 1.579 121.539 120.200 -0.399 0.000 2.077 40 E HA -0.295 3.964 4.350 -0.152 0.000 0.193 40 E C 2.219 178.742 176.600 -0.128 0.000 0.989 40 E CA 1.409 57.585 56.400 -0.373 0.000 0.800 40 E CB 0.053 29.349 29.700 -0.674 0.000 0.746 40 E HN 0.361 nan 8.360 nan 0.000 0.452 41 K N 0.148 120.482 120.400 -0.111 0.000 2.031 41 K HA -0.107 4.121 4.320 -0.152 0.000 0.205 41 K C 2.222 178.854 176.600 0.052 0.000 1.049 41 K CA 1.028 57.300 56.287 -0.025 0.000 0.939 41 K CB -0.004 32.463 32.500 -0.054 0.000 0.717 41 K HN 0.125 nan 8.250 nan 0.000 0.438 42 I N 1.602 122.182 120.570 0.017 0.000 2.179 42 I HA -0.211 3.868 4.170 -0.152 0.000 0.242 42 I C 2.543 178.740 176.117 0.133 0.000 1.088 42 I CA 1.479 62.825 61.300 0.076 0.000 1.357 42 I CB -1.509 36.503 38.000 0.020 0.000 1.051 42 I HN 0.213 nan 8.210 nan 0.000 0.409 43 A N -0.299 122.556 122.820 0.059 0.000 1.933 43 A HA -0.256 3.973 4.320 -0.152 0.000 0.218 43 A C 2.358 179.973 177.584 0.052 0.000 1.175 43 A CA 1.629 53.691 52.037 0.042 0.000 0.628 43 A CB -1.006 17.998 19.000 0.007 0.000 0.814 43 A HN 0.510 nan 8.150 nan 0.000 0.444 44 H N -1.793 117.286 119.070 0.016 0.000 2.363 44 H HA -0.118 4.347 4.556 -0.152 0.000 0.301 44 H C 1.916 177.260 175.328 0.026 0.000 1.074 44 H CA 1.824 57.878 56.048 0.009 0.000 1.354 44 H CB -0.354 29.410 29.762 0.003 0.000 1.397 44 H HN 0.493 nan 8.280 nan 0.000 0.516 45 F N 2.296 122.269 119.950 0.038 0.000 2.120 45 F HA -0.213 4.223 4.527 -0.152 0.000 0.300 45 F C 1.801 177.553 175.800 -0.079 0.000 1.095 45 F CA 1.779 59.770 58.000 -0.016 0.000 1.249 45 F CB -0.323 38.676 39.000 -0.001 0.000 0.995 45 F HN 0.082 nan 8.300 nan 0.000 0.480 46 D N 0.078 120.441 120.400 -0.062 0.000 2.351 46 D HA -0.104 4.445 4.640 -0.152 0.000 0.216 46 D C 1.695 177.856 176.300 -0.232 0.000 0.968 46 D CA 0.992 54.898 54.000 -0.157 0.000 0.899 46 D CB -0.212 40.578 40.800 -0.017 0.000 0.907 46 D HN 0.408 nan 8.370 nan 0.000 0.514 47 R N -0.250 120.080 120.500 -0.284 0.000 2.565 47 R HA 0.182 4.431 4.340 -0.152 0.000 0.347 47 R C 1.305 177.386 176.300 -0.364 0.000 1.010 47 R CA -0.112 55.814 56.100 -0.290 0.000 1.126 47 R CB 0.647 30.788 30.300 -0.265 0.000 1.331 47 R HN 0.099 nan 8.270 nan 0.000 0.552 48 E N 0.682 120.631 120.200 -0.418 0.000 2.110 48 E HA -0.081 4.178 4.350 -0.152 0.000 0.193 48 E C 0.235 176.615 176.600 -0.366 0.000 0.988 48 E CA 0.908 57.050 56.400 -0.429 0.000 0.804 48 E CB 0.256 29.715 29.700 -0.403 0.000 0.745 48 E HN 0.062 nan 8.360 nan 0.000 0.458 49 R N 1.099 121.449 120.500 -0.251 0.000 2.410 49 R HA 0.223 4.472 4.340 -0.152 0.000 0.288 49 R C 0.191 176.469 176.300 -0.036 0.000 1.051 49 R CA -0.200 55.830 56.100 -0.117 0.000 1.021 49 R CB 1.132 31.362 30.300 -0.116 0.000 1.032 49 R HN -0.028 nan 8.270 nan 0.000 0.481 50 V N -0.372 119.584 119.914 0.070 0.000 3.113 50 V HA 0.666 4.694 4.120 -0.152 0.000 0.316 50 V C -2.314 173.780 176.094 -0.001 0.000 1.125 50 V CA -2.529 59.793 62.300 0.036 0.000 1.026 50 V CB 1.399 33.275 31.823 0.088 0.000 1.080 50 V HN 0.530 nan 8.190 nan 0.000 0.444 51 P HA 0.264 nan 4.420 nan 0.000 0.268 51 P C -0.434 176.849 177.300 -0.029 0.000 1.205 51 P CA -0.098 62.977 63.100 -0.042 0.000 0.771 51 P CB 0.305 31.960 31.700 -0.075 0.000 0.858 52 E N 2.374 122.573 120.200 -0.001 0.000 2.345 52 E HA 0.231 4.490 4.350 -0.152 0.000 0.259 52 E C -0.471 176.133 176.600 0.007 0.000 1.117 52 E CA -0.872 55.533 56.400 0.010 0.000 0.913 52 E CB 0.698 30.412 29.700 0.023 0.000 1.057 52 E HN 0.237 nan 8.360 nan 0.000 0.432 53 R N 0.604 121.113 120.500 0.016 0.000 2.623 53 R HA -0.007 4.242 4.340 -0.152 0.000 0.271 53 R C 0.995 177.315 176.300 0.033 0.000 1.043 53 R CA 0.122 56.231 56.100 0.016 0.000 1.083 53 R CB 0.865 31.190 30.300 0.041 0.000 0.974 53 R HN 0.562 nan 8.270 nan 0.000 0.436 54 V N 3.707 123.635 119.914 0.023 0.000 2.515 54 V HA -0.076 3.952 4.120 -0.152 0.000 0.250 54 V C 0.442 176.562 176.094 0.044 0.000 1.058 54 V CA 1.549 63.867 62.300 0.031 0.000 1.064 54 V CB 0.315 32.153 31.823 0.026 0.000 0.675 54 V HN 0.515 nan 8.190 nan 0.000 0.461 55 V N -3.776 116.192 119.914 0.089 0.000 3.040 55 V HA 0.597 4.626 4.120 -0.152 0.000 0.312 55 V C 0.239 176.479 176.094 0.244 0.000 1.115 55 V CA -0.587 61.792 62.300 0.132 0.000 0.998 55 V CB 1.413 33.369 31.823 0.221 0.000 1.042 55 V HN 0.499 nan 8.190 nan 0.000 0.433 56 H N 0.318 119.432 119.070 0.074 0.000 2.862 56 H HA -0.230 4.234 4.556 -0.154 0.000 0.290 56 H C 1.589 176.963 175.328 0.078 0.000 1.211 56 H CA 0.732 56.831 56.048 0.083 0.000 1.140 56 H CB -1.241 28.564 29.762 0.073 0.000 1.341 56 H HN 1.197 nan 8.280 nan 0.000 0.392 57 A N 0.802 123.710 122.820 0.148 0.000 1.917 57 A HA -0.163 4.066 4.320 -0.152 0.000 0.219 57 A C 1.715 179.399 177.584 0.168 0.000 1.182 57 A CA 1.649 53.762 52.037 0.127 0.000 0.633 57 A CB -0.139 18.917 19.000 0.093 0.000 0.819 57 A HN 0.289 nan 8.150 nan 0.000 0.448 58 R N 0.069 120.682 120.500 0.188 0.000 2.340 58 R HA 0.511 4.760 4.340 -0.152 0.000 0.300 58 R C 0.001 176.456 176.300 0.258 0.000 1.069 58 R CA 0.758 57.003 56.100 0.241 0.000 0.984 58 R CB 0.327 30.774 30.300 0.244 0.000 1.003 58 R HN 0.537 nan 8.270 nan 0.000 0.459 59 G N 2.276 111.258 108.800 0.304 0.000 2.451 59 G HA2 0.407 4.276 3.960 -0.152 0.000 0.292 59 G HA3 0.407 4.276 3.960 -0.152 0.000 0.292 59 G C -2.173 172.937 174.900 0.350 0.000 1.427 59 G CA -0.674 44.562 45.100 0.227 0.000 0.792 59 G HN 0.458 nan 8.290 nan 0.000 0.498 60 F N 0.391 120.333 119.950 -0.013 0.000 2.581 60 F HA 0.765 5.200 4.527 -0.153 0.000 0.311 60 F C 0.023 175.744 175.800 -0.130 0.000 1.113 60 F CA -0.157 57.900 58.000 0.095 0.000 0.935 60 F CB 2.107 41.224 39.000 0.195 0.000 1.232 60 F HN 0.864 nan 8.300 nan 0.000 0.445 61 G N 2.699 110.920 108.800 -0.965 0.000 2.481 61 G HA2 0.852 4.720 3.960 -0.152 0.000 0.315 61 G HA3 0.852 4.720 3.960 -0.152 0.000 0.315 61 G C -1.970 172.197 174.900 -1.222 0.000 1.231 61 G CA -0.533 43.900 45.100 -1.112 0.000 0.968 61 G HN 1.191 nan 8.290 nan 0.000 0.482 62 A N 0.850 122.982 122.820 -1.146 0.000 2.606 62 A HA 0.753 4.981 4.320 -0.152 0.000 0.293 62 A C -0.918 176.363 177.584 -0.506 0.000 1.082 62 A CA -0.790 50.908 52.037 -0.565 0.000 0.685 62 A CB 1.063 19.929 19.000 -0.223 0.000 1.284 62 A HN 0.745 nan 8.150 nan 0.000 0.408 63 H N -0.279 118.780 119.070 -0.017 0.000 2.488 63 H HA 0.694 5.159 4.556 -0.151 0.000 0.347 63 H C 0.616 175.904 175.328 -0.067 0.000 1.174 63 H CA 0.762 56.840 56.048 0.049 0.000 1.307 63 H CB 1.823 31.631 29.762 0.076 0.000 1.517 63 H HN 1.154 nan 8.280 nan 0.000 0.554 64 G N -0.229 108.611 108.800 0.068 0.000 2.500 64 G HA2 0.345 4.214 3.960 -0.152 0.000 0.299 64 G HA3 0.345 4.214 3.960 -0.152 0.000 0.299 64 G C -1.701 173.204 174.900 0.009 0.000 1.242 64 G CA -0.200 44.892 45.100 -0.014 0.000 0.859 64 G HN 0.570 nan 8.290 nan 0.000 0.481 65 V N -0.199 119.728 119.914 0.021 0.000 2.841 65 V HA 0.778 4.807 4.120 -0.152 0.000 0.310 65 V C -1.740 174.450 176.094 0.160 0.000 1.090 65 V CA -0.966 61.374 62.300 0.066 0.000 0.930 65 V CB 1.726 33.566 31.823 0.029 0.000 1.014 65 V HN 0.910 nan 8.190 nan 0.000 0.425 66 F N 5.883 125.881 119.950 0.080 0.000 2.415 66 F HA 0.742 5.178 4.527 -0.151 0.000 0.348 66 F C -0.088 175.833 175.800 0.203 0.000 1.119 66 F CA -0.476 57.647 58.000 0.204 0.000 1.069 66 F CB 1.438 40.664 39.000 0.377 0.000 1.124 66 F HN 0.507 nan 8.300 nan 0.000 0.472 67 K N 6.147 126.231 120.400 -0.526 0.000 2.307 67 K HA 0.517 4.746 4.320 -0.152 0.000 0.263 67 K C -1.468 174.804 176.600 -0.546 0.000 0.973 67 K CA -0.771 55.319 56.287 -0.328 0.000 0.846 67 K CB 1.233 33.635 32.500 -0.162 0.000 1.100 67 K HN 0.484 nan 8.250 nan 0.000 0.438 68 V N 2.578 122.413 119.914 -0.133 0.000 2.488 68 V HA 0.409 4.438 4.120 -0.152 0.000 0.277 68 V C 0.651 176.731 176.094 -0.024 0.000 1.046 68 V CA -0.082 62.215 62.300 -0.006 0.000 0.986 68 V CB 1.352 33.292 31.823 0.196 0.000 0.989 68 V HN 0.956 nan 8.190 nan 0.000 0.475 69 K N 4.587 124.974 120.400 -0.023 0.000 2.287 69 K HA 0.287 4.515 4.320 -0.152 0.000 0.199 69 K C 0.231 176.875 176.600 0.072 0.000 1.061 69 K CA 0.730 57.045 56.287 0.047 0.000 0.976 69 K CB 0.217 32.802 32.500 0.141 0.000 0.898 69 K HN 0.829 nan 8.250 nan 0.000 0.492 70 N N 0.277 119.017 118.700 0.068 0.000 2.399 70 N HA 0.152 4.801 4.740 -0.152 0.000 0.280 70 N C -1.689 173.841 175.510 0.033 0.000 1.008 70 N CA -0.559 52.533 53.050 0.071 0.000 0.894 70 N CB 2.067 40.626 38.487 0.121 0.000 1.273 70 N HN 0.095 nan 8.380 nan 0.000 0.486 71 S N 1.784 117.489 115.700 0.009 0.000 2.563 71 S HA -0.009 4.370 4.470 -0.152 0.000 0.294 71 S C 0.697 175.277 174.600 -0.034 0.000 1.279 71 S CA 0.092 58.272 58.200 -0.033 0.000 1.069 71 S CB 0.145 63.322 63.200 -0.039 0.000 0.828 71 S HN 0.496 nan 8.310 nan 0.000 0.497 72 M N 4.591 124.140 119.600 -0.084 0.000 2.475 72 M HA 0.116 4.504 4.480 -0.152 0.000 0.283 72 M C 1.643 177.881 176.300 -0.102 0.000 1.165 72 M CA 0.065 55.343 55.300 -0.037 0.000 0.976 72 M CB -0.388 32.184 32.600 -0.047 0.000 1.428 72 M HN 0.891 nan 8.290 nan 0.000 0.495 73 K N 1.561 121.881 120.400 -0.134 0.000 2.152 73 K HA -0.190 4.038 4.320 -0.152 0.000 0.206 73 K C 1.659 178.183 176.600 -0.127 0.000 1.048 73 K CA 1.678 57.883 56.287 -0.136 0.000 0.933 73 K CB -0.305 32.127 32.500 -0.114 0.000 0.721 73 K HN 0.419 nan 8.250 nan 0.000 0.447 74 K N -0.190 120.091 120.400 -0.198 0.000 2.211 74 K HA -0.166 4.063 4.320 -0.152 0.000 0.203 74 K C 1.121 177.598 176.600 -0.205 0.000 1.050 74 K CA 1.319 57.444 56.287 -0.269 0.000 0.945 74 K CB -0.215 32.024 32.500 -0.435 0.000 0.732 74 K HN 0.416 nan 8.250 nan 0.000 0.451 75 Y N 0.271 120.614 120.300 0.072 0.000 2.535 75 Y HA 0.159 4.619 4.550 -0.151 0.000 0.266 75 Y C 0.797 176.768 175.900 0.119 0.000 1.088 75 Y CA -0.238 57.958 58.100 0.159 0.000 1.285 75 Y CB 1.369 40.028 38.460 0.331 0.000 1.166 75 Y HN 0.017 nan 8.280 nan 0.000 0.525 76 T N 0.143 114.733 114.554 0.060 0.000 2.982 76 T HA 0.170 4.429 4.350 -0.152 0.000 0.321 76 T C -0.301 174.248 174.700 -0.251 0.000 1.229 76 T CA -0.886 61.102 62.100 -0.186 0.000 1.044 76 T CB 1.347 69.820 68.868 -0.658 0.000 1.184 76 T HN 0.252 nan 8.240 nan 0.000 0.477 77 K N 2.404 122.666 120.400 -0.229 0.000 2.476 77 K HA 0.494 4.722 4.320 -0.152 0.000 0.196 77 K C 0.678 177.133 176.600 -0.243 0.000 1.025 77 K CA -0.261 55.900 56.287 -0.211 0.000 1.138 77 K CB 0.095 32.496 32.500 -0.165 0.000 0.860 77 K HN 0.509 nan 8.250 nan 0.000 0.515 78 A N 1.404 123.999 122.820 -0.376 0.000 2.537 78 A HA 0.287 4.516 4.320 -0.152 0.000 0.260 78 A C 1.497 178.891 177.584 -0.316 0.000 1.082 78 A CA 0.485 52.288 52.037 -0.389 0.000 0.765 78 A CB 0.077 18.666 19.000 -0.685 0.000 1.019 78 A HN 0.515 nan 8.150 nan 0.000 0.507 79 A N 3.612 126.370 122.820 -0.103 0.000 1.903 79 A HA -0.156 4.072 4.320 -0.152 0.000 0.219 79 A C 1.728 179.297 177.584 -0.025 0.000 1.191 79 A CA 2.083 54.105 52.037 -0.026 0.000 0.638 79 A CB -0.924 18.125 19.000 0.082 0.000 0.823 79 A HN 1.736 nan 8.150 nan 0.000 0.451 80 F N -1.835 118.076 119.950 -0.064 0.000 2.451 80 F HA 0.131 4.566 4.527 -0.153 0.000 0.299 80 F C 1.192 176.980 175.800 -0.019 0.000 1.101 80 F CA 0.601 58.593 58.000 -0.014 0.000 1.436 80 F CB -0.225 38.794 39.000 0.032 0.000 1.074 80 F HN 0.071 nan 8.300 nan 0.000 0.553 81 L N 0.545 121.281 121.223 -0.811 0.000 2.607 81 L HA 0.180 4.429 4.340 -0.152 0.000 0.228 81 L C 1.860 178.525 176.870 -0.343 0.000 1.123 81 L CA 0.513 54.914 54.840 -0.730 0.000 0.890 81 L CB -0.779 40.632 42.059 -1.079 0.000 1.103 81 L HN 0.181 nan 8.230 nan 0.000 0.468 82 Q N -0.006 119.655 119.800 -0.232 0.000 2.049 82 Q HA 0.043 4.291 4.340 -0.152 0.000 0.198 82 Q C 0.195 176.146 176.000 -0.082 0.000 0.971 82 Q CA 0.917 56.634 55.803 -0.142 0.000 0.833 82 Q CB 0.254 28.928 28.738 -0.106 0.000 0.896 82 Q HN 0.341 nan 8.270 nan 0.000 0.434 83 E N 1.671 121.843 120.200 -0.047 0.000 2.158 83 E HA 0.160 4.418 4.350 -0.152 0.000 0.271 83 E C -0.589 176.012 176.600 0.003 0.000 0.911 83 E CA -0.357 56.034 56.400 -0.014 0.000 0.767 83 E CB 1.134 30.837 29.700 0.003 0.000 1.120 83 E HN 0.274 nan 8.360 nan 0.000 0.405 84 E N 0.781 120.984 120.200 0.005 0.000 2.415 84 E HA 0.310 4.569 4.350 -0.152 0.000 0.263 84 E C 0.770 177.384 176.600 0.024 0.000 0.995 84 E CA 0.290 56.701 56.400 0.018 0.000 0.915 84 E CB 0.321 30.033 29.700 0.020 0.000 0.951 84 E HN 0.668 nan 8.360 nan 0.000 0.449 85 G N 2.695 111.512 108.800 0.028 0.000 2.278 85 G HA2 -0.314 3.554 3.960 -0.152 0.000 0.210 85 G HA3 -0.314 3.554 3.960 -0.152 0.000 0.210 85 G C 0.466 175.393 174.900 0.044 0.000 1.000 85 G CA -0.035 45.082 45.100 0.029 0.000 0.635 85 G HN 1.006 nan 8.290 nan 0.000 0.495 86 T N 1.266 115.861 114.554 0.069 0.000 2.902 86 T HA 0.461 4.720 4.350 -0.152 0.000 0.301 86 T C 0.080 174.864 174.700 0.139 0.000 1.012 86 T CA 0.719 62.881 62.100 0.104 0.000 1.151 86 T CB 0.644 69.592 68.868 0.134 0.000 0.946 86 T HN 0.388 nan 8.240 nan 0.000 0.542 87 E N 2.586 122.852 120.200 0.110 0.000 2.179 87 E HA 0.513 4.772 4.350 -0.152 0.000 0.275 87 E C -0.428 176.249 176.600 0.129 0.000 0.945 87 E CA -1.059 55.410 56.400 0.116 0.000 0.792 87 E CB 2.073 31.803 29.700 0.051 0.000 1.125 87 E HN 0.649 nan 8.360 nan 0.000 0.397 88 V N 0.697 120.736 119.914 0.208 0.000 2.604 88 V HA 0.532 4.561 4.120 -0.152 0.000 0.305 88 V C -2.795 173.368 176.094 0.114 0.000 1.043 88 V CA -2.820 59.559 62.300 0.132 0.000 0.888 88 V CB 1.708 33.616 31.823 0.142 0.000 0.995 88 V HN 0.419 nan 8.190 nan 0.000 0.429 89 P HA 0.356 nan 4.420 nan 0.000 0.271 89 P C -0.504 176.913 177.300 0.195 0.000 1.216 89 P CA 0.112 63.264 63.100 0.086 0.000 0.776 89 P CB 1.076 32.779 31.700 0.005 0.000 0.881 90 V N 0.353 120.336 119.914 0.113 0.000 2.914 90 V HA 0.725 4.754 4.120 -0.152 0.000 0.314 90 V C -1.168 175.010 176.094 0.140 0.000 1.084 90 V CA -1.025 61.259 62.300 -0.026 0.000 0.963 90 V CB 2.189 33.776 31.823 -0.395 0.000 1.025 90 V HN 0.333 nan 8.190 nan 0.000 0.432 91 F N 2.194 122.081 119.950 -0.105 0.000 2.529 91 F HA 0.909 5.345 4.527 -0.152 0.000 0.320 91 F C 0.017 175.618 175.800 -0.330 0.000 1.118 91 F CA -0.280 57.573 58.000 -0.245 0.000 0.915 91 F CB 1.605 40.480 39.000 -0.209 0.000 1.161 91 F HN 1.048 nan 8.300 nan 0.000 0.445 92 A N 6.272 128.417 122.820 -1.125 0.000 2.374 92 A HA 0.870 5.099 4.320 -0.152 0.000 0.317 92 A C -1.267 175.447 177.584 -1.450 0.000 1.094 92 A CA -0.868 50.445 52.037 -1.206 0.000 0.765 92 A CB 1.565 19.805 19.000 -1.266 0.000 1.268 92 A HN 0.858 nan 8.150 nan 0.000 0.438 93 R N 1.527 121.217 120.500 -1.351 0.000 2.574 93 R HA 0.661 4.909 4.340 -0.152 0.000 0.288 93 R C -2.036 173.565 176.300 -1.165 0.000 1.004 93 R CA -0.399 55.076 56.100 -1.043 0.000 0.895 93 R CB 1.108 31.145 30.300 -0.438 0.000 1.191 93 R HN 0.610 nan 8.270 nan 0.000 0.444 94 F N 1.617 121.217 119.950 -0.584 0.000 2.522 94 F HA 0.601 5.036 4.527 -0.154 0.000 0.324 94 F C 0.129 175.574 175.800 -0.593 0.000 1.077 94 F CA -0.517 57.081 58.000 -0.670 0.000 0.944 94 F CB 2.462 40.898 39.000 -0.939 0.000 1.175 94 F HN 0.630 nan 8.300 nan 0.000 0.468 95 S N -0.928 114.722 115.700 -0.084 0.000 2.567 95 S HA 0.603 4.982 4.470 -0.152 0.000 0.270 95 S C -0.603 174.185 174.600 0.313 0.000 1.152 95 S CA -0.858 57.431 58.200 0.148 0.000 0.835 95 S CB 1.278 64.621 63.200 0.239 0.000 1.115 95 S HN 0.761 nan 8.310 nan 0.000 0.459 96 T N -0.916 113.805 114.554 0.279 0.000 2.833 96 T HA 0.660 4.919 4.350 -0.152 0.000 0.312 96 T C 0.897 175.552 174.700 -0.076 0.000 1.085 96 T CA 0.076 62.274 62.100 0.164 0.000 0.955 96 T CB 0.096 69.070 68.868 0.177 0.000 1.353 96 T HN 0.702 nan 8.240 nan 0.000 0.544 97 V N -0.728 119.086 119.914 -0.166 0.000 3.054 97 V HA 0.185 4.214 4.120 -0.152 0.000 0.227 97 V C 2.303 178.261 176.094 -0.226 0.000 1.252 97 V CA -0.087 61.948 62.300 -0.442 0.000 1.279 97 V CB -0.202 31.413 31.823 -0.347 0.000 1.118 97 V HN 0.700 nan 8.190 nan 0.000 0.504 98 I N -0.040 120.436 120.570 -0.157 0.000 2.339 98 I HA 0.073 4.152 4.170 -0.152 0.000 0.245 98 I C 1.226 177.187 176.117 -0.260 0.000 1.096 98 I CA 1.178 62.329 61.300 -0.250 0.000 1.408 98 I CB -0.933 36.843 38.000 -0.373 0.000 1.092 98 I HN 0.363 nan 8.210 nan 0.000 0.423 99 H N -0.375 118.684 119.070 -0.018 0.000 2.500 99 H HA 0.525 4.990 4.556 -0.151 0.000 0.351 99 H C 0.809 176.158 175.328 0.035 0.000 1.281 99 H CA -0.056 55.998 56.048 0.011 0.000 1.368 99 H CB 0.296 30.075 29.762 0.029 0.000 1.616 99 H HN 0.115 nan 8.280 nan 0.000 0.591 100 G N -0.852 108.057 108.800 0.182 0.000 2.535 100 G HA2 0.176 4.044 3.960 -0.152 0.000 0.282 100 G HA3 0.176 4.044 3.960 -0.152 0.000 0.282 100 G C -0.207 174.769 174.900 0.127 0.000 1.350 100 G CA -0.590 44.577 45.100 0.112 0.000 1.039 100 G HN 0.563 nan 8.290 nan 0.000 0.509 101 T N -0.086 114.511 114.554 0.072 0.000 2.933 101 T HA 0.100 4.358 4.350 -0.152 0.000 0.306 101 T C 0.682 175.460 174.700 0.130 0.000 1.045 101 T CA 1.234 63.359 62.100 0.043 0.000 1.143 101 T CB -0.459 68.337 68.868 -0.120 0.000 1.003 101 T HN 0.722 nan 8.240 nan 0.000 0.540 102 H N 0.277 119.453 119.070 0.176 0.000 3.022 102 H HA -0.135 4.329 4.556 -0.152 0.000 0.258 102 H C 0.404 175.862 175.328 0.216 0.000 1.212 102 H CA 0.135 56.332 56.048 0.248 0.000 1.126 102 H CB -1.368 28.516 29.762 0.204 0.000 1.267 102 H HN 0.416 nan 8.280 nan 0.000 0.345 103 S N 0.886 116.759 115.700 0.289 0.000 2.601 103 S HA 0.249 4.628 4.470 -0.152 0.000 0.271 103 S C -2.083 172.656 174.600 0.232 0.000 1.305 103 S CA -1.202 57.106 58.200 0.180 0.000 1.022 103 S CB 0.983 64.283 63.200 0.167 0.000 0.940 103 S HN 0.037 nan 8.310 nan 0.000 0.525 104 P HA 0.101 nan 4.420 nan 0.000 0.265 104 P C -0.316 177.086 177.300 0.170 0.000 1.193 104 P CA 0.194 63.419 63.100 0.207 0.000 0.765 104 P CB 0.259 32.031 31.700 0.120 0.000 0.823 105 E N 0.499 120.800 120.200 0.169 0.000 2.445 105 E HA -0.030 4.228 4.350 -0.152 0.000 0.189 105 E C 0.705 177.421 176.600 0.194 0.000 1.069 105 E CA 0.428 56.876 56.400 0.081 0.000 0.871 105 E CB -0.254 29.332 29.700 -0.190 0.000 0.991 105 E HN 0.558 nan 8.360 nan 0.000 0.481 106 T N -1.681 113.013 114.554 0.235 0.000 3.086 106 T HA 0.184 4.443 4.350 -0.152 0.000 0.250 106 T C 0.790 175.556 174.700 0.111 0.000 1.074 106 T CA -0.205 62.007 62.100 0.187 0.000 0.988 106 T CB 0.065 68.992 68.868 0.098 0.000 0.988 106 T HN -0.038 nan 8.240 nan 0.000 0.530 107 L N 1.627 122.911 121.223 0.101 0.000 2.395 107 L HA 0.428 4.677 4.340 -0.152 0.000 0.269 107 L C 0.846 177.761 176.870 0.075 0.000 1.133 107 L CA -1.123 53.763 54.840 0.076 0.000 0.812 107 L CB 0.636 42.731 42.059 0.060 0.000 1.125 107 L HN 0.088 nan 8.230 nan 0.000 0.452 108 R N 2.132 122.665 120.500 0.055 0.000 2.421 108 R HA 0.140 4.389 4.340 -0.152 0.000 0.305 108 R C -1.345 174.947 176.300 -0.013 0.000 1.039 108 R CA 0.396 56.498 56.100 0.004 0.000 1.003 108 R CB 0.149 30.421 30.300 -0.046 0.000 0.959 108 R HN 0.563 nan 8.270 nan 0.000 0.427 109 D N 4.660 125.060 120.400 -0.000 0.000 2.734 109 D HA 0.185 4.734 4.640 -0.152 0.000 0.224 109 D C -2.765 173.571 176.300 0.060 0.000 1.222 109 D CA -1.057 52.953 54.000 0.016 0.000 0.761 109 D CB 2.005 42.832 40.800 0.045 0.000 1.569 109 D HN 0.277 nan 8.370 nan 0.000 0.477 110 P HA 0.226 nan 4.420 nan 0.000 0.269 110 P C -0.456 176.956 177.300 0.186 0.000 1.217 110 P CA -0.316 62.864 63.100 0.134 0.000 0.783 110 P CB 0.740 32.544 31.700 0.174 0.000 0.898 111 R N 0.389 121.035 120.500 0.243 0.000 2.387 111 R HA 0.571 4.820 4.340 -0.152 0.000 0.314 111 R C 0.510 177.026 176.300 0.359 0.000 0.958 111 R CA -0.324 55.965 56.100 0.315 0.000 0.846 111 R CB 0.914 31.426 30.300 0.354 0.000 1.147 111 R HN 0.595 nan 8.270 nan 0.000 0.447 112 G N 1.680 110.714 108.800 0.390 0.000 2.491 112 G HA2 0.302 4.171 3.960 -0.152 0.000 0.242 112 G HA3 0.302 4.171 3.960 -0.152 0.000 0.242 112 G C -1.145 173.870 174.900 0.190 0.000 1.266 112 G CA 0.070 45.333 45.100 0.271 0.000 0.844 112 G HN 0.467 nan 8.290 nan 0.000 0.571 113 F N 1.624 121.520 119.950 -0.090 0.000 2.902 113 F HA 0.475 4.910 4.527 -0.153 0.000 0.368 113 F C -0.170 175.416 175.800 -0.356 0.000 1.202 113 F CA -0.838 57.072 58.000 -0.150 0.000 1.109 113 F CB 1.455 40.490 39.000 0.058 0.000 1.418 113 F HN 0.358 nan 8.300 nan 0.000 0.527 114 S N 3.682 118.961 115.700 -0.701 0.000 2.500 114 S HA 0.854 5.233 4.470 -0.152 0.000 0.301 114 S C -1.126 172.810 174.600 -1.106 0.000 1.092 114 S CA -0.730 56.875 58.200 -0.991 0.000 1.030 114 S CB 2.149 64.286 63.200 -1.771 0.000 1.031 114 S HN 0.279 nan 8.310 nan 0.000 0.483 115 V N 3.127 122.632 119.914 -0.683 0.000 2.524 115 V HA 0.422 4.451 4.120 -0.152 0.000 0.297 115 V C -0.334 175.567 176.094 -0.322 0.000 1.035 115 V CA -0.832 61.122 62.300 -0.576 0.000 0.867 115 V CB 1.792 33.227 31.823 -0.645 0.000 1.004 115 V HN 0.798 nan 8.190 nan 0.000 0.426 116 K N 3.992 124.294 120.400 -0.163 0.000 2.248 116 K HA 0.583 4.812 4.320 -0.152 0.000 0.281 116 K C -1.462 174.820 176.600 -0.531 0.000 1.054 116 K CA -0.401 55.744 56.287 -0.237 0.000 0.903 116 K CB 0.621 32.934 32.500 -0.312 0.000 1.077 116 K HN 0.466 nan 8.250 nan 0.000 0.474 117 F N 4.464 124.157 119.950 -0.428 0.000 2.385 117 F HA 0.246 4.682 4.527 -0.153 0.000 0.360 117 F C -0.560 175.048 175.800 -0.319 0.000 1.122 117 F CA -0.632 57.172 58.000 -0.327 0.000 1.090 117 F CB 0.725 39.528 39.000 -0.328 0.000 1.150 117 F HN 0.415 nan 8.300 nan 0.000 0.472 118 Y N 1.949 122.269 120.300 0.033 0.000 2.636 118 Y HA 0.275 4.735 4.550 -0.151 0.000 0.341 118 Y C 0.856 176.753 175.900 -0.006 0.000 1.169 118 Y CA -0.461 57.666 58.100 0.044 0.000 1.498 118 Y CB -0.197 38.296 38.460 0.055 0.000 1.362 118 Y HN 0.456 nan 8.280 nan 0.000 0.494 119 T N 1.531 116.160 114.554 0.125 0.000 2.918 119 T HA 0.092 4.350 4.350 -0.152 0.000 0.283 119 T C 1.042 175.856 174.700 0.189 0.000 1.001 119 T CA -0.660 61.481 62.100 0.068 0.000 1.041 119 T CB 0.905 69.784 68.868 0.020 0.000 1.028 119 T HN 0.569 nan 8.240 nan 0.000 0.511 120 E N 0.941 121.249 120.200 0.180 0.000 2.267 120 E HA -0.098 4.161 4.350 -0.152 0.000 0.197 120 E C 0.952 177.668 176.600 0.195 0.000 0.998 120 E CA 1.094 57.655 56.400 0.269 0.000 0.830 120 E CB 0.096 29.918 29.700 0.203 0.000 0.751 120 E HN 0.612 nan 8.360 nan 0.000 0.491 121 E N -0.092 120.195 120.200 0.145 0.000 2.685 121 E HA 0.369 4.627 4.350 -0.152 0.000 0.208 121 E C -0.023 176.607 176.600 0.050 0.000 0.996 121 E CA -0.057 56.386 56.400 0.072 0.000 1.054 121 E CB 0.857 30.610 29.700 0.089 0.000 1.075 121 E HN 0.207 nan 8.360 nan 0.000 0.460 122 G N 1.223 110.076 108.800 0.088 0.000 2.392 122 G HA2 -0.158 3.711 3.960 -0.152 0.000 0.677 122 G HA3 -0.158 3.711 3.960 -0.152 0.000 0.677 122 G C -1.080 173.877 174.900 0.095 0.000 1.334 122 G CA -1.175 43.969 45.100 0.073 0.000 0.961 122 G HN 0.049 nan 8.290 nan 0.000 0.616 123 N N -0.506 118.235 118.700 0.069 0.000 2.520 123 N HA 0.491 5.139 4.740 -0.152 0.000 0.273 123 N C -0.717 174.875 175.510 0.136 0.000 1.155 123 N CA 0.044 53.115 53.050 0.036 0.000 0.967 123 N CB 1.089 39.537 38.487 -0.065 0.000 1.092 123 N HN 0.653 nan 8.380 nan 0.000 0.457 124 W N 2.503 123.768 121.300 -0.059 0.000 2.532 124 W HA 0.369 4.936 4.660 -0.154 0.000 0.321 124 W C -1.388 175.185 176.519 0.090 0.000 1.037 124 W CA -0.856 56.470 57.345 -0.032 0.000 1.220 124 W CB 0.813 30.183 29.460 -0.151 0.000 1.361 124 W HN 0.326 nan 8.180 nan 0.000 0.468 125 D N 5.863 126.158 120.400 -0.175 0.000 2.303 125 D HA 0.185 4.734 4.640 -0.152 0.000 0.236 125 D C -1.115 174.853 176.300 -0.554 0.000 1.068 125 D CA -0.252 53.599 54.000 -0.249 0.000 0.830 125 D CB 1.153 41.953 40.800 0.000 0.000 1.109 125 D HN 0.263 nan 8.370 nan 0.000 0.496 126 F N 2.979 122.489 119.950 -0.734 0.000 2.405 126 F HA 0.410 4.846 4.527 -0.150 0.000 0.355 126 F C -0.795 174.771 175.800 -0.389 0.000 1.121 126 F CA -0.573 57.089 58.000 -0.563 0.000 1.112 126 F CB 0.872 39.618 39.000 -0.424 0.000 1.126 126 F HN 0.024 nan 8.300 nan 0.000 0.481 127 V N 7.040 126.407 119.914 -0.912 0.000 2.380 127 V HA 0.613 4.641 4.120 -0.152 0.000 0.272 127 V C 0.258 175.880 176.094 -0.786 0.000 1.011 127 V CA -0.271 61.589 62.300 -0.734 0.000 0.826 127 V CB 0.323 31.806 31.823 -0.566 0.000 1.040 127 V HN 1.042 nan 8.190 nan 0.000 0.441 128 G N 2.618 110.946 108.800 -0.787 0.000 3.108 128 G HA2 0.695 4.564 3.960 -0.152 0.000 0.268 128 G HA3 0.695 4.564 3.960 -0.152 0.000 0.268 128 G C -1.079 173.803 174.900 -0.030 0.000 1.361 128 G CA -0.593 44.251 45.100 -0.426 0.000 1.047 128 G HN 0.439 nan 8.290 nan 0.000 0.540 129 N N -0.782 117.960 118.700 0.070 0.000 2.577 129 N HA 0.236 4.885 4.740 -0.152 0.000 0.285 129 N C 1.126 176.757 175.510 0.201 0.000 1.309 129 N CA -0.712 52.453 53.050 0.191 0.000 0.798 129 N CB 1.703 40.306 38.487 0.192 0.000 1.463 129 N HN 0.521 nan 8.380 nan 0.000 0.518 130 N N 0.298 119.143 118.700 0.243 0.000 2.106 130 N HA -0.072 4.577 4.740 -0.152 0.000 0.188 130 N C 0.290 175.879 175.510 0.131 0.000 1.029 130 N CA 0.999 54.179 53.050 0.216 0.000 0.848 130 N CB -0.526 38.117 38.487 0.260 0.000 1.007 130 N HN 0.449 nan 8.380 nan 0.000 0.423 131 L N 2.015 123.294 121.223 0.093 0.000 2.453 131 L HA 0.155 4.404 4.340 -0.152 0.000 0.272 131 L C -1.152 175.671 176.870 -0.078 0.000 1.182 131 L CA -1.248 53.589 54.840 -0.005 0.000 0.858 131 L CB 0.481 42.510 42.059 -0.050 0.000 1.120 131 L HN 0.088 nan 8.230 nan 0.000 0.474 132 P HA -0.013 nan 4.420 nan 0.000 0.245 132 P C 0.065 177.208 177.300 -0.262 0.000 1.206 132 P CA 0.525 63.519 63.100 -0.178 0.000 0.781 132 P CB 0.317 31.947 31.700 -0.117 0.000 0.994 133 V N -4.376 115.337 119.914 -0.336 0.000 3.164 133 V HA 0.733 4.761 4.120 -0.152 0.000 0.313 133 V C -0.997 175.016 176.094 -0.135 0.000 1.188 133 V CA -1.369 60.774 62.300 -0.261 0.000 1.058 133 V CB 2.102 33.748 31.823 -0.296 0.000 1.110 133 V HN -0.117 nan 8.190 nan 0.000 0.453 134 F N -1.014 118.781 119.950 -0.258 0.000 2.613 134 F HA 0.646 5.080 4.527 -0.155 0.000 0.314 134 F C 0.470 176.197 175.800 -0.122 0.000 1.075 134 F CA -0.922 56.964 58.000 -0.191 0.000 0.945 134 F CB 2.165 41.145 39.000 -0.034 0.000 1.310 134 F HN 0.499 nan 8.300 nan 0.000 0.467 135 F N 2.688 122.369 119.950 -0.449 0.000 2.269 135 F HA 0.017 4.439 4.527 -0.174 0.000 0.301 135 F C 0.631 176.467 175.800 0.059 0.000 1.082 135 F CA 1.004 58.883 58.000 -0.201 0.000 1.360 135 F CB -0.345 38.469 39.000 -0.311 0.000 1.041 135 F HN 0.161 nan 8.300 nan 0.000 0.512 136 I N -2.887 117.946 120.570 0.440 0.000 3.195 136 I HA 0.455 4.534 4.170 -0.152 0.000 0.313 136 I C 0.389 176.705 176.117 0.331 0.000 1.237 136 I CA -1.166 60.358 61.300 0.373 0.000 0.963 136 I CB 2.293 40.562 38.000 0.447 0.000 1.278 136 I HN -0.100 nan 8.210 nan 0.000 0.460 137 R N 0.156 120.786 120.500 0.216 0.000 2.572 137 R HA 0.421 4.669 4.340 -0.152 0.000 0.370 137 R C -0.928 175.442 176.300 0.116 0.000 1.005 137 R CA -0.289 55.903 56.100 0.153 0.000 1.146 137 R CB 0.514 30.873 30.300 0.097 0.000 1.390 137 R HN 0.720 nan 8.270 nan 0.000 0.553 138 D N 0.184 120.669 120.400 0.141 0.000 2.936 138 D HA 0.296 4.845 4.640 -0.152 0.000 0.238 138 D C 0.493 176.871 176.300 0.131 0.000 1.248 138 D CA -0.283 53.779 54.000 0.102 0.000 0.903 138 D CB 2.349 43.201 40.800 0.087 0.000 1.544 138 D HN 0.037 nan 8.370 nan 0.000 0.543 139 A N 3.776 126.644 122.820 0.081 0.000 1.986 139 A HA -0.246 3.982 4.320 -0.152 0.000 0.220 139 A C 1.941 179.609 177.584 0.140 0.000 1.171 139 A CA 1.675 53.767 52.037 0.092 0.000 0.640 139 A CB -0.453 18.561 19.000 0.023 0.000 0.811 139 A HN 0.646 nan 8.150 nan 0.000 0.451 140 M N -0.724 118.939 119.600 0.105 0.000 2.252 140 M HA -0.172 4.217 4.480 -0.152 0.000 0.257 140 M C 1.174 177.549 176.300 0.126 0.000 1.077 140 M CA 1.720 57.078 55.300 0.097 0.000 1.066 140 M CB -0.239 32.405 32.600 0.074 0.000 1.380 140 M HN 0.152 nan 8.290 nan 0.000 0.412 141 K N -1.711 118.798 120.400 0.181 0.000 2.393 141 K HA 0.098 4.327 4.320 -0.152 0.000 0.193 141 K C 1.600 178.304 176.600 0.174 0.000 1.026 141 K CA 0.335 56.755 56.287 0.222 0.000 1.064 141 K CB -0.697 31.993 32.500 0.317 0.000 0.833 141 K HN 0.374 nan 8.250 nan 0.000 0.521 142 F N 2.876 122.851 119.950 0.042 0.000 2.134 142 F HA -0.096 4.336 4.527 -0.158 0.000 0.299 142 F C -1.024 174.692 175.800 -0.140 0.000 1.097 142 F CA 1.025 59.024 58.000 -0.002 0.000 1.264 142 F CB -0.814 38.202 39.000 0.027 0.000 1.001 142 F HN 0.032 nan 8.300 nan 0.000 0.479 143 P HA -0.135 nan 4.420 nan 0.000 0.216 143 P C 1.249 178.119 177.300 -0.717 0.000 1.153 143 P CA 1.857 64.657 63.100 -0.500 0.000 0.848 143 P CB -0.090 31.390 31.700 -0.366 0.000 0.787 144 D N -0.769 119.369 120.400 -0.437 0.000 2.123 144 D HA -0.186 4.362 4.640 -0.152 0.000 0.196 144 D C 1.863 177.692 176.300 -0.785 0.000 0.992 144 D CA 1.193 54.965 54.000 -0.380 0.000 0.833 144 D CB -0.528 40.249 40.800 -0.039 0.000 0.954 144 D HN 0.172 nan 8.370 nan 0.000 0.455 145 M N 0.920 119.939 119.600 -0.968 0.000 2.099 145 M HA -0.158 4.231 4.480 -0.152 0.000 0.262 145 M C 2.206 177.968 176.300 -0.897 0.000 1.067 145 M CA 1.204 55.715 55.300 -1.315 0.000 1.124 145 M CB -0.031 32.102 32.600 -0.779 0.000 1.353 145 M HN -0.158 nan 8.290 nan 0.000 0.410 146 V N 0.557 119.984 119.914 -0.812 0.000 2.255 146 V HA -0.349 3.680 4.120 -0.152 0.000 0.247 146 V C 2.154 178.050 176.094 -0.329 0.000 1.051 146 V CA 2.392 64.324 62.300 -0.614 0.000 1.018 146 V CB -1.481 29.945 31.823 -0.662 0.000 0.641 146 V HN 0.578 nan 8.190 nan 0.000 0.445 147 H N 0.324 119.166 119.070 -0.381 0.000 2.353 147 H HA -0.186 4.279 4.556 -0.150 0.000 0.298 147 H C 2.583 177.780 175.328 -0.219 0.000 1.103 147 H CA 1.578 57.476 56.048 -0.250 0.000 1.293 147 H CB -0.036 29.612 29.762 -0.190 0.000 1.372 147 H HN 0.604 nan 8.280 nan 0.000 0.501 148 S N 0.737 116.345 115.700 -0.152 0.000 2.382 148 S HA -0.118 4.261 4.470 -0.152 0.000 0.228 148 S C 2.099 176.675 174.600 -0.040 0.000 1.027 148 S CA 0.905 59.048 58.200 -0.095 0.000 0.991 148 S CB -0.467 62.653 63.200 -0.134 0.000 0.823 148 S HN 0.310 nan 8.310 nan 0.000 0.469 149 L N 0.454 121.555 121.223 -0.203 0.000 2.209 149 L HA 0.165 4.414 4.340 -0.152 0.000 0.207 149 L C 1.313 178.059 176.870 -0.207 0.000 1.094 149 L CA 0.496 55.178 54.840 -0.263 0.000 0.790 149 L CB -0.230 41.523 42.059 -0.509 0.000 0.932 149 L HN 0.137 nan 8.230 nan 0.000 0.447 150 K N 0.723 121.003 120.400 -0.200 0.000 2.276 150 K HA 0.147 4.376 4.320 -0.152 0.000 0.259 150 K C -2.130 174.402 176.600 -0.114 0.000 1.001 150 K CA -1.576 54.592 56.287 -0.198 0.000 0.927 150 K CB -0.192 32.214 32.500 -0.158 0.000 0.969 150 K HN -0.205 nan 8.250 nan 0.000 0.490 151 P HA -0.175 nan 4.420 nan 0.000 0.263 151 P C -0.300 176.988 177.300 -0.020 0.000 1.168 151 P CA 0.421 63.513 63.100 -0.013 0.000 0.759 151 P CB 0.302 32.006 31.700 0.007 0.000 0.782 152 D N 5.915 126.322 120.400 0.012 0.000 2.586 152 D HA -0.079 4.470 4.640 -0.152 0.000 0.234 152 D C -1.181 175.108 176.300 -0.019 0.000 1.132 152 D CA -0.966 53.035 54.000 0.001 0.000 0.860 152 D CB 0.616 41.430 40.800 0.023 0.000 1.159 152 D HN 0.235 nan 8.370 nan 0.000 0.490 153 P HA -0.077 nan 4.420 nan 0.000 0.234 153 P C 1.162 178.443 177.300 -0.032 0.000 1.167 153 P CA 0.713 63.780 63.100 -0.056 0.000 0.763 153 P CB 0.307 31.955 31.700 -0.086 0.000 0.835 154 R N 0.303 120.794 120.500 -0.016 0.000 2.103 154 R HA -0.000 4.248 4.340 -0.152 0.000 0.212 154 R C 2.212 178.513 176.300 0.001 0.000 1.107 154 R CA 1.675 57.771 56.100 -0.006 0.000 1.025 154 R CB -0.458 29.842 30.300 -0.001 0.000 0.929 154 R HN 0.142 nan 8.270 nan 0.000 0.456 155 T N -2.198 112.361 114.554 0.009 0.000 3.035 155 T HA 0.032 4.291 4.350 -0.152 0.000 0.259 155 T C 0.711 175.422 174.700 0.019 0.000 1.078 155 T CA 0.757 62.867 62.100 0.016 0.000 1.132 155 T CB -0.096 68.787 68.868 0.025 0.000 0.900 155 T HN 0.395 nan 8.240 nan 0.000 0.480 156 N N 0.157 118.868 118.700 0.018 0.000 2.815 156 N HA -0.123 4.525 4.740 -0.152 0.000 0.249 156 N C -1.126 174.415 175.510 0.053 0.000 1.114 156 N CA 0.453 53.518 53.050 0.026 0.000 0.717 156 N CB -1.923 36.576 38.487 0.019 0.000 1.074 156 N HN 0.741 nan 8.380 nan 0.000 0.555 157 I N 0.399 121.006 120.570 0.061 0.000 2.582 157 I HA 0.201 4.280 4.170 -0.152 0.000 0.292 157 I C 0.498 176.683 176.117 0.114 0.000 1.066 157 I CA -0.737 60.620 61.300 0.095 0.000 1.053 157 I CB 1.900 39.945 38.000 0.074 0.000 1.241 157 I HN 0.089 nan 8.210 nan 0.000 0.421 158 Q N 4.130 124.038 119.800 0.181 0.000 2.361 158 Q HA 0.021 4.270 4.340 -0.152 0.000 0.276 158 Q C -1.183 174.935 176.000 0.198 0.000 1.022 158 Q CA 0.500 56.424 55.803 0.201 0.000 0.898 158 Q CB 0.822 29.733 28.738 0.288 0.000 1.246 158 Q HN 0.480 nan 8.270 nan 0.000 0.410 159 D N 4.546 125.058 120.400 0.185 0.000 2.542 159 D HA 0.298 4.847 4.640 -0.152 0.000 0.252 159 D C -2.232 174.024 176.300 -0.073 0.000 1.222 159 D CA -2.227 51.829 54.000 0.093 0.000 0.895 159 D CB 1.856 42.693 40.800 0.061 0.000 1.207 159 D HN 0.264 nan 8.370 nan 0.000 0.558 160 P HA -0.114 nan 4.420 nan 0.000 0.218 160 P C 0.793 177.910 177.300 -0.306 0.000 1.146 160 P CA 0.909 63.603 63.100 -0.677 0.000 0.813 160 P CB 0.335 32.010 31.700 -0.041 0.000 0.778 161 D N -1.130 119.226 120.400 -0.074 0.000 2.221 161 D HA -0.171 4.378 4.640 -0.152 0.000 0.204 161 D C 1.928 178.241 176.300 0.022 0.000 0.982 161 D CA 0.995 55.016 54.000 0.035 0.000 0.857 161 D CB 0.034 40.893 40.800 0.097 0.000 0.934 161 D HN 0.063 nan 8.370 nan 0.000 0.475 162 R N -1.266 119.212 120.500 -0.037 0.000 2.075 162 R HA -0.030 4.218 4.340 -0.152 0.000 0.220 162 R C 2.340 178.687 176.300 0.079 0.000 1.118 162 R CA 1.196 57.312 56.100 0.027 0.000 0.986 162 R CB -0.457 29.870 30.300 0.046 0.000 0.884 162 R HN 0.419 nan 8.270 nan 0.000 0.439 163 Y N -1.744 118.591 120.300 0.059 0.000 2.314 163 Y HA -0.022 4.430 4.550 -0.163 0.000 0.293 163 Y C 1.674 177.576 175.900 0.002 0.000 1.129 163 Y CA 0.002 58.084 58.100 -0.030 0.000 1.201 163 Y CB -1.019 37.332 38.460 -0.181 0.000 0.999 163 Y HN -0.005 nan 8.280 nan 0.000 0.541 164 W N 1.562 122.899 121.300 0.062 0.000 2.342 164 W HA -0.162 4.399 4.660 -0.164 0.000 0.297 164 W C 2.185 178.761 176.519 0.094 0.000 1.213 164 W CA 1.696 59.108 57.345 0.112 0.000 1.251 164 W CB -0.401 29.062 29.460 0.005 0.000 1.136 164 W HN 0.175 nan 8.180 nan 0.000 0.526 165 D N -0.266 120.291 120.400 0.262 0.000 2.106 165 D HA -0.284 4.265 4.640 -0.152 0.000 0.191 165 D C 1.847 178.242 176.300 0.159 0.000 0.997 165 D CA 1.642 55.737 54.000 0.158 0.000 0.834 165 D CB -0.619 40.228 40.800 0.079 0.000 0.956 165 D HN 0.116 nan 8.370 nan 0.000 0.448 166 F N 0.308 120.292 119.950 0.058 0.000 2.084 166 F HA -0.149 4.400 4.527 0.036 0.000 0.296 166 F C 2.243 178.069 175.800 0.043 0.000 1.111 166 F CA 1.383 59.402 58.000 0.030 0.000 1.224 166 F CB -0.218 38.776 39.000 -0.010 0.000 0.991 166 F HN -0.093 nan 8.300 nan 0.000 0.471 167 M N 0.562 120.279 119.600 0.195 0.000 2.117 167 M HA -0.156 4.232 4.480 -0.152 0.000 0.262 167 M C 2.396 178.723 176.300 0.046 0.000 1.065 167 M CA 2.160 57.515 55.300 0.092 0.000 1.114 167 M CB -2.151 30.513 32.600 0.107 0.000 1.361 167 M HN 0.391 nan 8.290 nan 0.000 0.408 168 T N -0.981 113.665 114.554 0.155 0.000 2.788 168 T HA -0.081 4.177 4.350 -0.152 0.000 0.268 168 T C 1.943 176.655 174.700 0.019 0.000 1.044 168 T CA 1.030 63.207 62.100 0.129 0.000 1.139 168 T CB -0.649 68.320 68.868 0.168 0.000 0.867 168 T HN 0.369 nan 8.240 nan 0.000 0.454 169 L N -0.721 120.465 121.223 -0.063 0.000 2.395 169 L HA 0.278 4.526 4.340 -0.152 0.000 0.218 169 L C 1.548 178.308 176.870 -0.184 0.000 1.130 169 L CA 0.348 55.126 54.840 -0.105 0.000 0.826 169 L CB -0.002 41.993 42.059 -0.108 0.000 0.941 169 L HN 0.050 nan 8.230 nan 0.000 0.451 170 R N 0.113 120.436 120.500 -0.294 0.000 2.860 170 R HA 0.193 4.442 4.340 -0.152 0.000 0.282 170 R C -1.753 174.455 176.300 -0.153 0.000 1.408 170 R CA -1.948 53.972 56.100 -0.300 0.000 1.636 170 R CB 0.362 30.287 30.300 -0.626 0.000 1.187 170 R HN -0.127 nan 8.270 nan 0.000 0.611 171 P HA -0.184 nan 4.420 nan 0.000 0.228 171 P C 0.441 177.601 177.300 -0.234 0.000 1.151 171 P CA 0.827 63.872 63.100 -0.092 0.000 0.770 171 P CB 0.381 32.087 31.700 0.010 0.000 0.786 172 E N 1.167 121.259 120.200 -0.180 0.000 2.331 172 E HA -0.156 4.103 4.350 -0.152 0.000 0.199 172 E C 1.497 178.058 176.600 -0.065 0.000 1.008 172 E CA 1.602 57.914 56.400 -0.148 0.000 0.843 172 E CB -1.048 28.616 29.700 -0.061 0.000 0.761 172 E HN 0.362 nan 8.360 nan 0.000 0.507 173 S N 0.455 116.150 115.700 -0.008 0.000 2.447 173 S HA -0.104 4.275 4.470 -0.152 0.000 0.233 173 S C 1.899 176.535 174.600 0.059 0.000 1.006 173 S CA 1.183 59.434 58.200 0.086 0.000 0.957 173 S CB -0.640 62.669 63.200 0.182 0.000 0.773 173 S HN 0.250 nan 8.310 nan 0.000 0.507 174 T N 3.152 117.706 114.554 -0.001 0.000 2.624 174 T HA -0.195 4.064 4.350 -0.152 0.000 0.268 174 T C 1.799 176.597 174.700 0.163 0.000 1.041 174 T CA 1.915 64.032 62.100 0.027 0.000 1.159 174 T CB -0.881 67.980 68.868 -0.012 0.000 0.863 174 T HN 0.559 nan 8.240 nan 0.000 0.434 175 N N 0.596 119.362 118.700 0.109 0.000 2.104 175 N HA -0.102 4.546 4.740 -0.152 0.000 0.190 175 N C 1.745 177.405 175.510 0.250 0.000 1.024 175 N CA 1.282 54.438 53.050 0.178 0.000 0.853 175 N CB -0.386 38.166 38.487 0.107 0.000 1.008 175 N HN 0.205 nan 8.380 nan 0.000 0.424 176 M N -0.225 119.403 119.600 0.046 0.000 2.175 176 M HA 0.018 4.407 4.480 -0.152 0.000 0.264 176 M C 1.339 177.636 176.300 -0.006 0.000 1.063 176 M CA 1.047 56.246 55.300 -0.168 0.000 1.119 176 M CB -0.496 31.654 32.600 -0.750 0.000 1.377 176 M HN 0.092 nan 8.290 nan 0.000 0.415 177 L N -0.089 121.252 121.223 0.197 0.000 2.042 177 L HA -0.205 4.044 4.340 -0.152 0.000 0.210 177 L C 2.311 179.509 176.870 0.545 0.000 1.076 177 L CA 1.630 56.774 54.840 0.506 0.000 0.749 177 L CB -1.579 40.917 42.059 0.728 0.000 0.893 177 L HN 0.367 nan 8.230 nan 0.000 0.432 178 M N -1.363 118.509 119.600 0.454 0.000 2.195 178 M HA -0.220 4.169 4.480 -0.152 0.000 0.260 178 M C 2.273 178.662 176.300 0.148 0.000 1.066 178 M CA 1.638 57.107 55.300 0.282 0.000 1.089 178 M CB -1.248 31.466 32.600 0.191 0.000 1.377 178 M HN 0.341 nan 8.290 nan 0.000 0.411 179 H N -0.866 118.293 119.070 0.148 0.000 2.344 179 H HA 0.143 4.606 4.556 -0.156 0.000 0.307 179 H C 2.027 177.388 175.328 0.055 0.000 1.057 179 H CA 0.862 56.959 56.048 0.082 0.000 1.373 179 H CB 0.239 30.008 29.762 0.013 0.000 1.421 179 H HN 0.117 nan 8.280 nan 0.000 0.532 180 I N 0.186 120.835 120.570 0.132 0.000 2.614 180 I HA -0.202 3.877 4.170 -0.152 0.000 0.258 180 I C 0.519 176.540 176.117 -0.160 0.000 1.189 180 I CA 1.419 62.687 61.300 -0.053 0.000 1.462 180 I CB -0.224 37.676 38.000 -0.167 0.000 1.092 180 I HN 0.234 nan 8.210 nan 0.000 0.442 181 F N 0.555 120.602 119.950 0.162 0.000 2.693 181 F HA 0.021 4.452 4.527 -0.160 0.000 0.303 181 F C 1.788 177.656 175.800 0.114 0.000 1.097 181 F CA -0.175 57.920 58.000 0.158 0.000 1.330 181 F CB -0.058 39.063 39.000 0.202 0.000 1.067 181 F HN 0.024 nan 8.300 nan 0.000 0.565 182 T N -3.104 111.577 114.554 0.213 0.000 2.689 182 T HA 0.011 4.269 4.350 -0.152 0.000 0.308 182 T C 1.044 175.818 174.700 0.124 0.000 1.021 182 T CA -0.412 61.777 62.100 0.148 0.000 0.973 182 T CB 0.563 69.494 68.868 0.105 0.000 1.113 182 T HN -0.074 nan 8.240 nan 0.000 0.522 183 D N -0.528 119.931 120.400 0.099 0.000 2.348 183 D HA -0.008 4.541 4.640 -0.152 0.000 0.216 183 D C 1.726 178.076 176.300 0.083 0.000 0.970 183 D CA 0.577 54.629 54.000 0.087 0.000 0.889 183 D CB -0.259 40.585 40.800 0.074 0.000 0.912 183 D HN 0.811 nan 8.370 nan 0.000 0.524 184 E N 0.190 120.443 120.200 0.089 0.000 2.409 184 E HA -0.068 4.191 4.350 -0.152 0.000 0.198 184 E C 1.897 178.551 176.600 0.090 0.000 1.024 184 E CA 0.531 56.990 56.400 0.098 0.000 0.861 184 E CB -0.103 29.666 29.700 0.116 0.000 0.788 184 E HN 0.241 nan 8.360 nan 0.000 0.521 185 G N 0.595 109.431 108.800 0.061 0.000 2.559 185 G HA2 -0.066 3.802 3.960 -0.152 0.000 0.216 185 G HA3 -0.066 3.802 3.960 -0.152 0.000 0.216 185 G C 0.877 175.802 174.900 0.042 0.000 1.126 185 G CA 0.161 45.271 45.100 0.017 0.000 0.778 185 G HN 0.214 nan 8.290 nan 0.000 0.543 186 I N 1.220 121.830 120.570 0.067 0.000 2.782 186 I HA 0.219 4.298 4.170 -0.152 0.000 0.279 186 I C -2.710 173.463 176.117 0.093 0.000 1.247 186 I CA -1.842 59.506 61.300 0.080 0.000 1.062 186 I CB 1.804 39.846 38.000 0.070 0.000 1.421 186 I HN -0.176 nan 8.210 nan 0.000 0.558 187 P HA 0.007 nan 4.420 nan 0.000 0.266 187 P C 0.919 178.282 177.300 0.105 0.000 1.195 187 P CA 0.276 63.444 63.100 0.112 0.000 0.768 187 P CB 1.115 32.894 31.700 0.132 0.000 0.838 188 A N 2.423 125.308 122.820 0.110 0.000 2.019 188 A HA 0.048 4.277 4.320 -0.152 0.000 0.219 188 A C 0.808 178.462 177.584 0.117 0.000 1.164 188 A CA 2.005 54.104 52.037 0.103 0.000 0.644 188 A CB -0.668 18.382 19.000 0.083 0.000 0.805 188 A HN 0.699 nan 8.150 nan 0.000 0.449 189 S N -4.899 110.807 115.700 0.010 0.000 2.656 189 S HA 0.392 4.770 4.470 -0.152 0.000 0.265 189 S C 0.193 174.710 174.600 -0.139 0.000 1.110 189 S CA -0.200 57.881 58.200 -0.199 0.000 0.821 189 S CB -0.342 62.753 63.200 -0.175 0.000 1.099 189 S HN 0.110 nan 8.310 nan 0.000 0.471 190 Y N 1.907 122.139 120.300 -0.114 0.000 2.256 190 Y HA -0.051 4.407 4.550 -0.153 0.000 0.288 190 Y C 2.676 178.452 175.900 -0.206 0.000 1.155 190 Y CA 1.813 59.765 58.100 -0.247 0.000 1.203 190 Y CB -0.677 37.561 38.460 -0.371 0.000 0.980 190 Y HN 0.759 nan 8.280 nan 0.000 0.530 191 R N 0.633 121.155 120.500 0.037 0.000 2.236 191 R HA 0.017 4.266 4.340 -0.152 0.000 0.208 191 R C 0.527 176.822 176.300 -0.008 0.000 1.036 191 R CA 0.933 57.037 56.100 0.006 0.000 1.001 191 R CB -0.331 29.916 30.300 -0.088 0.000 0.896 191 R HN 0.192 nan 8.270 nan 0.000 0.464 192 K N 1.690 122.143 120.400 0.089 0.000 2.981 192 K HA 0.265 4.493 4.320 -0.152 0.000 0.213 192 K C -0.088 176.635 176.600 0.204 0.000 1.154 192 K CA -0.141 56.230 56.287 0.140 0.000 1.111 192 K CB 0.656 33.252 32.500 0.160 0.000 0.975 192 K HN 0.284 nan 8.250 nan 0.000 0.462 193 M N -1.384 118.403 119.600 0.312 0.000 2.575 193 M HA 0.491 4.879 4.480 -0.152 0.000 0.284 193 M C -0.812 175.827 176.300 0.565 0.000 1.253 193 M CA -1.089 54.431 55.300 0.367 0.000 0.861 193 M CB 1.895 34.700 32.600 0.342 0.000 1.733 193 M HN -0.066 nan 8.290 nan 0.000 0.462 194 R N 0.728 121.484 120.500 0.426 0.000 2.531 194 R HA 0.934 5.183 4.340 -0.152 0.000 0.260 194 R C -0.170 176.280 176.300 0.251 0.000 1.144 194 R CA -0.600 55.746 56.100 0.410 0.000 1.171 194 R CB 0.450 30.923 30.300 0.289 0.000 1.199 194 R HN 0.884 nan 8.270 nan 0.000 0.594 195 G N -0.730 108.043 108.800 -0.046 0.000 2.620 195 G HA2 0.530 4.398 3.960 -0.152 0.000 0.301 195 G HA3 0.530 4.398 3.960 -0.152 0.000 0.301 195 G C -1.456 173.442 174.900 -0.005 0.000 1.347 195 G CA -0.827 44.038 45.100 -0.393 0.000 0.971 195 G HN 0.475 nan 8.290 nan 0.000 0.488 196 S N -0.601 115.172 115.700 0.121 0.000 2.541 196 S HA 0.430 4.809 4.470 -0.152 0.000 0.280 196 S C 1.118 175.811 174.600 0.154 0.000 1.112 196 S CA -0.108 58.152 58.200 0.099 0.000 0.925 196 S CB 1.926 65.119 63.200 -0.012 0.000 1.067 196 S HN 1.105 nan 8.310 nan 0.000 0.479 197 S N 1.519 117.284 115.700 0.108 0.000 2.447 197 S HA -0.066 4.312 4.470 -0.152 0.000 0.233 197 S C 1.474 175.959 174.600 -0.191 0.000 1.006 197 S CA 0.945 59.115 58.200 -0.048 0.000 0.957 197 S CB -0.635 62.602 63.200 0.062 0.000 0.773 197 S HN 0.920 nan 8.310 nan 0.000 0.507 198 V N 0.517 120.282 119.914 -0.249 0.000 0.565 198 V HA -0.349 3.679 4.120 -0.152 0.000 0.092 198 V C 0.773 176.578 176.094 -0.482 0.000 1.978 198 V CA 2.347 64.409 62.300 -0.396 0.000 3.460 198 V CB -2.005 29.532 31.823 -0.477 0.000 0.751 198 V HN 0.790 nan 8.190 nan 0.000 0.781 199 H N 1.469 120.422 119.070 -0.196 0.000 2.615 199 H HA 0.556 5.018 4.556 -0.156 0.000 0.363 199 H C 0.645 175.798 175.328 -0.291 0.000 1.148 199 H CA 0.398 56.281 56.048 -0.275 0.000 1.401 199 H CB 0.962 30.505 29.762 -0.364 0.000 1.461 199 H HN 0.762 nan 8.280 nan 0.000 0.588 200 S N 1.231 116.760 115.700 -0.285 0.000 2.617 200 S HA 0.497 4.875 4.470 -0.152 0.000 0.269 200 S C -0.369 174.167 174.600 -0.106 0.000 1.292 200 S CA -0.501 57.546 58.200 -0.255 0.000 1.010 200 S CB 0.677 63.738 63.200 -0.231 0.000 0.944 200 S HN 0.438 nan 8.310 nan 0.000 0.536 201 F N -0.209 119.715 119.950 -0.043 0.000 2.664 201 F HA 0.547 4.984 4.527 -0.150 0.000 0.329 201 F C 0.251 176.096 175.800 0.075 0.000 1.090 201 F CA -1.209 56.812 58.000 0.035 0.000 0.978 201 F CB 1.978 40.990 39.000 0.020 0.000 1.378 201 F HN 0.411 nan 8.300 nan 0.000 0.495 202 K N 1.058 121.630 120.400 0.287 0.000 2.235 202 K HA 0.280 4.509 4.320 -0.152 0.000 0.266 202 K C -1.753 175.047 176.600 0.334 0.000 0.980 202 K CA -0.639 55.742 56.287 0.156 0.000 0.849 202 K CB 1.413 33.939 32.500 0.044 0.000 1.098 202 K HN 0.331 nan 8.250 nan 0.000 0.445 203 W N 2.487 123.775 121.300 -0.020 0.000 2.478 203 W HA 0.366 4.936 4.660 -0.150 0.000 0.318 203 W C -0.534 175.962 176.519 -0.038 0.000 1.062 203 W CA -0.848 56.468 57.345 -0.048 0.000 1.210 203 W CB 1.357 30.787 29.460 -0.051 0.000 1.325 203 W HN 0.110 nan 8.180 nan 0.000 0.496 204 V N 5.082 125.071 119.914 0.125 0.000 2.495 204 V HA 0.300 4.329 4.120 -0.152 0.000 0.298 204 V C 0.170 176.265 176.094 0.002 0.000 1.031 204 V CA -0.983 61.347 62.300 0.051 0.000 0.871 204 V CB 1.264 33.094 31.823 0.011 0.000 0.988 204 V HN 0.567 nan 8.190 nan 0.000 0.432 205 N N 4.139 122.852 118.700 0.022 0.000 2.476 205 N HA 0.508 5.157 4.740 -0.152 0.000 0.287 205 N C 0.946 176.420 175.510 -0.060 0.000 1.262 205 N CA -0.121 52.920 53.050 -0.016 0.000 0.980 205 N CB 1.009 39.513 38.487 0.028 0.000 1.163 205 N HN 0.529 nan 8.380 nan 0.000 0.592 206 A N -1.142 121.610 122.820 -0.115 0.000 2.014 206 A HA -0.085 4.144 4.320 -0.152 0.000 0.218 206 A C 1.417 178.847 177.584 -0.255 0.000 1.163 206 A CA 1.066 52.977 52.037 -0.210 0.000 0.652 206 A CB -1.136 17.694 19.000 -0.284 0.000 0.808 206 A HN 0.811 nan 8.150 nan 0.000 0.449 207 H N -1.669 117.377 119.070 -0.040 0.000 2.548 207 H HA 0.320 4.785 4.556 -0.152 0.000 0.265 207 H C 1.455 176.769 175.328 -0.023 0.000 0.969 207 H CA 0.647 56.676 56.048 -0.030 0.000 1.155 207 H CB 0.353 30.101 29.762 -0.025 0.000 1.394 207 H HN 0.612 nan 8.280 nan 0.000 0.570 208 G N 0.583 109.415 108.800 0.054 0.000 2.130 208 G HA2 -0.264 3.605 3.960 -0.152 0.000 0.216 208 G HA3 -0.264 3.605 3.960 -0.152 0.000 0.216 208 G C -0.487 174.435 174.900 0.037 0.000 0.999 208 G CA -0.281 44.836 45.100 0.028 0.000 0.686 208 G HN 0.430 nan 8.290 nan 0.000 0.515 209 N N 0.596 119.329 118.700 0.056 0.000 2.479 209 N HA 0.569 5.218 4.740 -0.152 0.000 0.285 209 N C 0.057 175.601 175.510 0.057 0.000 1.075 209 N CA 0.430 53.513 53.050 0.055 0.000 0.967 209 N CB 1.429 39.959 38.487 0.073 0.000 1.137 209 N HN 0.263 nan 8.380 nan 0.000 0.472 210 T N 0.228 114.799 114.554 0.027 0.000 2.856 210 T HA 0.609 4.868 4.350 -0.152 0.000 0.283 210 T C -0.549 174.135 174.700 -0.028 0.000 1.008 210 T CA -0.722 61.381 62.100 0.006 0.000 0.997 210 T CB 0.736 69.577 68.868 -0.045 0.000 0.992 210 T HN 0.237 nan 8.240 nan 0.000 0.454 211 V N 2.546 122.454 119.914 -0.011 0.000 2.823 211 V HA 0.684 4.713 4.120 -0.152 0.000 0.312 211 V C -1.278 174.757 176.094 -0.098 0.000 1.072 211 V CA -1.334 60.938 62.300 -0.045 0.000 0.937 211 V CB 1.084 32.916 31.823 0.015 0.000 1.013 211 V HN 0.865 nan 8.190 nan 0.000 0.430 212 Y N 4.098 124.440 120.300 0.070 0.000 2.359 212 Y HA 0.667 5.128 4.550 -0.148 0.000 0.330 212 Y C 0.385 176.349 175.900 0.107 0.000 1.143 212 Y CA -0.079 58.100 58.100 0.132 0.000 1.318 212 Y CB 1.162 39.776 38.460 0.257 0.000 1.234 212 Y HN 0.865 nan 8.280 nan 0.000 0.522 213 I N -0.005 120.647 120.570 0.137 0.000 2.865 213 I HA 0.765 4.844 4.170 -0.152 0.000 0.302 213 I C -1.292 174.649 176.117 -0.293 0.000 1.140 213 I CA -1.313 59.873 61.300 -0.190 0.000 1.021 213 I CB 2.448 39.902 38.000 -0.911 0.000 1.233 213 I HN 0.316 nan 8.210 nan 0.000 0.427 214 K N 3.199 123.370 120.400 -0.381 0.000 2.375 214 K HA 0.781 5.010 4.320 -0.152 0.000 0.249 214 K C -1.744 174.635 176.600 -0.369 0.000 0.942 214 K CA -0.529 55.468 56.287 -0.483 0.000 0.806 214 K CB 1.602 33.645 32.500 -0.762 0.000 1.227 214 K HN 0.609 nan 8.250 nan 0.000 0.430 215 L N 2.282 123.345 121.223 -0.266 0.000 2.334 215 L HA 0.622 4.871 4.340 -0.152 0.000 0.273 215 L C -1.024 175.677 176.870 -0.281 0.000 1.013 215 L CA -0.521 54.170 54.840 -0.248 0.000 0.816 215 L CB 1.717 43.746 42.059 -0.050 0.000 1.278 215 L HN 0.540 nan 8.230 nan 0.000 0.431 216 R N 1.610 121.844 120.500 -0.444 0.000 2.510 216 R HA 0.428 4.677 4.340 -0.152 0.000 0.287 216 R C -1.981 174.136 176.300 -0.304 0.000 1.084 216 R CA -0.332 55.558 56.100 -0.350 0.000 0.934 216 R CB 1.205 31.145 30.300 -0.600 0.000 1.201 216 R HN 0.466 nan 8.270 nan 0.000 0.431 217 W N 3.919 125.149 121.300 -0.117 0.000 2.429 217 W HA 0.555 5.123 4.660 -0.154 0.000 0.314 217 W C -0.503 176.197 176.519 0.303 0.000 1.062 217 W CA -0.797 56.543 57.345 -0.009 0.000 1.211 217 W CB 1.731 30.855 29.460 -0.561 0.000 1.305 217 W HN 0.095 nan 8.180 nan 0.000 0.476 218 V N 6.026 126.383 119.914 0.739 0.000 2.384 218 V HA 0.375 4.404 4.120 -0.152 0.000 0.287 218 V C -1.891 174.535 176.094 0.553 0.000 1.020 218 V CA -2.414 60.254 62.300 0.613 0.000 0.850 218 V CB 1.520 33.685 31.823 0.571 0.000 0.987 218 V HN 0.265 nan 8.190 nan 0.000 0.436 219 P HA 0.161 nan 4.420 nan 0.000 0.276 219 P C 0.363 177.621 177.300 -0.069 0.000 1.235 219 P CA -0.269 62.733 63.100 -0.164 0.000 0.772 219 P CB 1.181 32.816 31.700 -0.108 0.000 0.871 220 K N 3.036 123.348 120.400 -0.146 0.000 2.211 220 K HA -0.158 4.071 4.320 -0.152 0.000 0.204 220 K C 1.205 177.777 176.600 -0.047 0.000 1.047 220 K CA 1.286 57.546 56.287 -0.046 0.000 0.935 220 K CB 0.104 32.578 32.500 -0.045 0.000 0.728 220 K HN 0.327 nan 8.250 nan 0.000 0.452 221 E N 0.226 120.363 120.200 -0.106 0.000 2.502 221 E HA 0.050 4.309 4.350 -0.152 0.000 0.194 221 E C 0.733 177.398 176.600 0.108 0.000 1.062 221 E CA 0.724 57.112 56.400 -0.020 0.000 0.867 221 E CB 0.181 29.839 29.700 -0.071 0.000 0.888 221 E HN 0.504 nan 8.360 nan 0.000 0.510 222 G N 0.523 109.354 108.800 0.051 0.000 2.758 222 G HA2 -0.250 3.619 3.960 -0.152 0.000 0.686 222 G HA3 -0.250 3.619 3.960 -0.152 0.000 0.686 222 G C -0.263 174.614 174.900 -0.038 0.000 1.389 222 G CA -0.370 44.727 45.100 -0.004 0.000 0.845 222 G HN 0.060 nan 8.290 nan 0.000 0.572 223 V N 3.577 123.404 119.914 -0.146 0.000 2.432 223 V HA 0.492 4.520 4.120 -0.152 0.000 0.271 223 V C 0.330 176.220 176.094 -0.341 0.000 1.046 223 V CA -0.180 62.067 62.300 -0.088 0.000 0.945 223 V CB 1.058 32.883 31.823 0.004 0.000 0.992 223 V HN 0.747 nan 8.190 nan 0.000 0.471 224 H N 3.976 123.083 119.070 0.062 0.000 2.679 224 H HA 0.525 4.990 4.556 -0.152 0.000 0.360 224 H C -0.673 174.685 175.328 0.050 0.000 1.105 224 H CA -0.588 55.486 56.048 0.043 0.000 1.196 224 H CB 2.275 32.050 29.762 0.022 0.000 1.636 224 H HN 0.685 nan 8.280 nan 0.000 0.531 225 N N 1.325 120.115 118.700 0.150 0.000 2.469 225 N HA 0.539 5.188 4.740 -0.152 0.000 0.286 225 N C -0.985 174.574 175.510 0.081 0.000 1.275 225 N CA -0.791 52.322 53.050 0.105 0.000 0.790 225 N CB 2.418 40.956 38.487 0.085 0.000 1.446 225 N HN 0.214 nan 8.380 nan 0.000 0.501 226 L N 1.013 122.273 121.223 0.062 0.000 2.346 226 L HA 0.488 4.737 4.340 -0.152 0.000 0.276 226 L C 0.247 177.144 176.870 0.045 0.000 1.006 226 L CA -0.794 54.067 54.840 0.036 0.000 0.817 226 L CB 1.764 43.826 42.059 0.004 0.000 1.272 226 L HN 0.657 nan 8.230 nan 0.000 0.421 227 S N 1.579 117.303 115.700 0.039 0.000 2.600 227 S HA 0.319 4.698 4.470 -0.152 0.000 0.265 227 S C 1.260 175.888 174.600 0.047 0.000 1.325 227 S CA -0.016 58.213 58.200 0.048 0.000 1.002 227 S CB 1.567 64.791 63.200 0.040 0.000 0.921 227 S HN 0.730 nan 8.310 nan 0.000 0.554 228 A N 1.407 124.266 122.820 0.064 0.000 1.903 228 A HA -0.176 4.053 4.320 -0.152 0.000 0.219 228 A C 1.833 179.444 177.584 0.044 0.000 1.191 228 A CA 2.122 54.200 52.037 0.067 0.000 0.638 228 A CB -1.287 17.767 19.000 0.090 0.000 0.823 228 A HN 0.900 nan 8.150 nan 0.000 0.451 229 D N -0.675 119.747 120.400 0.036 0.000 2.117 229 D HA -0.096 4.452 4.640 -0.152 0.000 0.198 229 D C 2.009 178.313 176.300 0.007 0.000 0.982 229 D CA 1.379 55.392 54.000 0.022 0.000 0.828 229 D CB -0.372 40.440 40.800 0.021 0.000 0.967 229 D HN 0.668 nan 8.370 nan 0.000 0.464 230 E N 0.549 120.751 120.200 0.003 0.000 2.051 230 E HA -0.129 4.130 4.350 -0.152 0.000 0.192 230 E C 2.103 178.677 176.600 -0.044 0.000 0.991 230 E CA 1.012 57.400 56.400 -0.020 0.000 0.799 230 E CB -0.056 29.634 29.700 -0.017 0.000 0.748 230 E HN 0.178 nan 8.360 nan 0.000 0.449 231 A N 0.741 123.544 122.820 -0.028 0.000 1.940 231 A HA -0.195 4.034 4.320 -0.152 0.000 0.219 231 A C 2.347 179.915 177.584 -0.027 0.000 1.176 231 A CA 1.904 53.918 52.037 -0.039 0.000 0.631 231 A CB -0.810 18.194 19.000 0.008 0.000 0.814 231 A HN 0.180 nan 8.150 nan 0.000 0.446 232 T N -0.703 113.849 114.554 -0.003 0.000 2.777 232 T HA -0.121 4.138 4.350 -0.152 0.000 0.266 232 T C 1.882 176.579 174.700 -0.006 0.000 1.040 232 T CA 1.568 63.672 62.100 0.006 0.000 1.141 232 T CB -0.164 68.715 68.868 0.017 0.000 0.868 232 T HN 0.769 nan 8.240 nan 0.000 0.444 233 E N 0.610 120.799 120.200 -0.017 0.000 2.047 233 E HA -0.114 4.145 4.350 -0.152 0.000 0.191 233 E C 2.169 178.746 176.600 -0.039 0.000 0.987 233 E CA 0.977 57.363 56.400 -0.023 0.000 0.799 233 E CB -0.182 29.503 29.700 -0.025 0.000 0.752 233 E HN 0.220 nan 8.360 nan 0.000 0.449 234 V N 1.272 121.140 119.914 -0.078 0.000 2.287 234 V HA -0.319 3.710 4.120 -0.152 0.000 0.248 234 V C 2.655 178.716 176.094 -0.054 0.000 1.053 234 V CA 2.349 64.574 62.300 -0.124 0.000 1.027 234 V CB -0.790 30.848 31.823 -0.308 0.000 0.646 234 V HN 0.432 nan 8.190 nan 0.000 0.447 235 Q N 0.131 119.918 119.800 -0.021 0.000 2.112 235 Q HA -0.200 4.049 4.340 -0.152 0.000 0.206 235 Q C 2.227 178.266 176.000 0.065 0.000 0.987 235 Q CA 2.102 57.933 55.803 0.048 0.000 0.858 235 Q CB -0.561 28.203 28.738 0.043 0.000 0.905 235 Q HN 0.667 nan 8.270 nan 0.000 0.420 236 G N 0.158 108.979 108.800 0.034 0.000 2.450 236 G HA2 -0.254 3.615 3.960 -0.152 0.000 0.220 236 G HA3 -0.254 3.615 3.960 -0.152 0.000 0.220 236 G C 1.327 176.257 174.900 0.050 0.000 1.130 236 G CA 1.024 46.145 45.100 0.036 0.000 0.760 236 G HN 0.266 nan 8.290 nan 0.000 0.557 237 K N -1.199 119.226 120.400 0.041 0.000 2.313 237 K HA 0.144 4.372 4.320 -0.152 0.000 0.197 237 K C -0.410 176.219 176.600 0.049 0.000 1.061 237 K CA 0.369 56.677 56.287 0.034 0.000 0.980 237 K CB 0.669 33.172 32.500 0.004 0.000 0.888 237 K HN 0.157 nan 8.250 nan 0.000 0.502 238 D N -0.587 119.852 120.400 0.066 0.000 2.452 238 D HA 0.023 4.571 4.640 -0.152 0.000 0.226 238 D C -0.358 176.002 176.300 0.100 0.000 1.366 238 D CA -0.550 53.468 54.000 0.029 0.000 0.986 238 D CB 0.467 41.261 40.800 -0.010 0.000 1.420 238 D HN 0.010 nan 8.370 nan 0.000 0.583 239 F N 1.787 121.755 119.950 0.030 0.000 2.797 239 F HA 0.401 4.836 4.527 -0.153 0.000 0.302 239 F C 0.541 176.365 175.800 0.041 0.000 1.130 239 F CA -0.248 57.779 58.000 0.044 0.000 1.387 239 F CB 0.086 39.097 39.000 0.019 0.000 1.107 239 F HN 0.045 nan 8.300 nan 0.000 0.577 240 N N 1.202 119.667 118.700 -0.391 0.000 2.389 240 N HA -0.037 4.611 4.740 -0.152 0.000 0.260 240 N C 1.341 176.728 175.510 -0.205 0.000 1.191 240 N CA 0.070 52.932 53.050 -0.313 0.000 0.885 240 N CB -0.546 37.647 38.487 -0.491 0.000 1.162 240 N HN 0.596 nan 8.380 nan 0.000 0.512 241 H N 0.025 119.008 119.070 -0.145 0.000 2.357 241 H HA 0.051 4.515 4.556 -0.153 0.000 0.301 241 H C 1.500 176.721 175.328 -0.178 0.000 1.082 241 H CA 1.442 57.404 56.048 -0.143 0.000 1.342 241 H CB 0.123 29.821 29.762 -0.107 0.000 1.389 241 H HN 0.128 nan 8.280 nan 0.000 0.511 242 A N 1.106 123.306 122.820 -1.033 0.000 1.897 242 A HA -0.069 4.160 4.320 -0.152 0.000 0.215 242 A C 2.726 180.023 177.584 -0.478 0.000 1.181 242 A CA 1.276 52.780 52.037 -0.889 0.000 0.620 242 A CB -0.667 17.433 19.000 -1.501 0.000 0.821 242 A HN 0.480 nan 8.150 nan 0.000 0.443 243 S N 0.395 115.960 115.700 -0.226 0.000 2.368 243 S HA -0.181 4.198 4.470 -0.152 0.000 0.225 243 S C 2.067 176.554 174.600 -0.188 0.000 1.030 243 S CA 1.441 59.579 58.200 -0.103 0.000 0.999 243 S CB -0.435 62.863 63.200 0.164 0.000 0.844 243 S HN 0.712 nan 8.310 nan 0.000 0.459 244 N N 1.672 120.285 118.700 -0.145 0.000 2.084 244 N HA -0.129 4.519 4.740 -0.152 0.000 0.190 244 N C 1.420 176.900 175.510 -0.050 0.000 1.030 244 N CA 1.713 54.712 53.050 -0.085 0.000 0.849 244 N CB -0.631 37.796 38.487 -0.100 0.000 1.012 244 N HN 0.366 nan 8.380 nan 0.000 0.423 245 D N -1.138 119.198 120.400 -0.106 0.000 2.092 245 D HA -0.100 4.448 4.640 -0.152 0.000 0.193 245 D C 1.476 177.718 176.300 -0.096 0.000 0.994 245 D CA 2.091 56.041 54.000 -0.084 0.000 0.828 245 D CB -0.293 40.448 40.800 -0.099 0.000 0.963 245 D HN 0.311 nan 8.370 nan 0.000 0.450 246 T N -0.703 113.713 114.554 -0.230 0.000 2.821 246 T HA -0.093 4.166 4.350 -0.152 0.000 0.267 246 T C 1.652 176.271 174.700 -0.135 0.000 1.046 246 T CA 0.695 62.637 62.100 -0.263 0.000 1.139 246 T CB -0.578 67.995 68.868 -0.492 0.000 0.871 246 T HN 0.175 nan 8.240 nan 0.000 0.454 247 F N 2.284 122.072 119.950 -0.271 0.000 2.069 247 F HA -0.156 4.279 4.527 -0.153 0.000 0.298 247 F C 2.604 178.465 175.800 0.102 0.000 1.113 247 F CA 1.407 59.472 58.000 0.110 0.000 1.214 247 F CB -0.314 38.787 39.000 0.169 0.000 0.978 247 F HN -0.046 nan 8.300 nan 0.000 0.474 248 Q N 0.488 120.476 119.800 0.313 0.000 2.096 248 Q HA -0.187 4.062 4.340 -0.152 0.000 0.204 248 Q C 2.513 178.566 176.000 0.088 0.000 0.982 248 Q CA 1.566 57.490 55.803 0.202 0.000 0.850 248 Q CB -1.325 27.488 28.738 0.124 0.000 0.901 248 Q HN 0.540 nan 8.270 nan 0.000 0.422 249 A N 0.911 123.762 122.820 0.052 0.000 1.917 249 A HA -0.207 4.022 4.320 -0.152 0.000 0.219 249 A C 2.180 179.801 177.584 0.062 0.000 1.182 249 A CA 1.624 53.678 52.037 0.029 0.000 0.633 249 A CB -0.757 18.253 19.000 0.017 0.000 0.819 249 A HN 0.363 nan 8.150 nan 0.000 0.448 250 I N -0.933 119.700 120.570 0.105 0.000 2.286 250 I HA -0.146 3.933 4.170 -0.152 0.000 0.245 250 I C 2.345 178.552 176.117 0.151 0.000 1.104 250 I CA 0.976 62.398 61.300 0.205 0.000 1.397 250 I CB -0.401 37.679 38.000 0.134 0.000 1.072 250 I HN 0.217 nan 8.210 nan 0.000 0.417 251 E N 1.030 121.246 120.200 0.026 0.000 2.153 251 E HA -0.168 4.091 4.350 -0.152 0.000 0.194 251 E C 1.623 178.251 176.600 0.047 0.000 0.988 251 E CA 1.026 57.455 56.400 0.048 0.000 0.811 251 E CB -0.432 29.325 29.700 0.094 0.000 0.746 251 E HN 0.463 nan 8.360 nan 0.000 0.466 252 N N -0.399 118.310 118.700 0.016 0.000 2.467 252 N HA -0.004 4.644 4.740 -0.152 0.000 0.184 252 N C 1.057 176.490 175.510 -0.129 0.000 1.106 252 N CA 0.959 53.989 53.050 -0.033 0.000 0.892 252 N CB 0.606 39.075 38.487 -0.030 0.000 0.969 252 N HN 0.279 nan 8.380 nan 0.000 0.454 253 G N 0.763 109.432 108.800 -0.218 0.000 2.143 253 G HA2 -0.259 3.609 3.960 -0.152 0.000 0.249 253 G HA3 -0.259 3.609 3.960 -0.152 0.000 0.249 253 G C -0.161 174.272 174.900 -0.779 0.000 0.981 253 G CA 0.186 44.885 45.100 -0.669 0.000 0.665 253 G HN 0.369 nan 8.290 nan 0.000 0.528 254 D N 0.645 120.824 120.400 -0.369 0.000 2.619 254 D HA 0.340 4.888 4.640 -0.152 0.000 0.224 254 D C 0.532 176.783 176.300 -0.081 0.000 1.133 254 D CA -0.608 53.257 54.000 -0.225 0.000 1.017 254 D CB -0.956 39.775 40.800 -0.114 0.000 1.077 254 D HN 0.317 nan 8.370 nan 0.000 0.503 255 F N 2.459 122.404 119.950 -0.008 0.000 2.533 255 F HA 0.182 4.618 4.527 -0.152 0.000 0.378 255 F C -1.346 174.443 175.800 -0.020 0.000 1.070 255 F CA -2.169 55.837 58.000 0.009 0.000 1.172 255 F CB 0.395 39.413 39.000 0.030 0.000 1.085 255 F HN 0.087 nan 8.300 nan 0.000 0.552 256 P HA -0.013 nan 4.420 nan 0.000 0.261 256 P C -0.875 176.405 177.300 -0.032 0.000 1.183 256 P CA 0.578 63.643 63.100 -0.058 0.000 0.761 256 P CB 0.449 32.217 31.700 0.113 0.000 0.785 257 E N 2.196 122.210 120.200 -0.310 0.000 2.317 257 E HA 0.483 4.742 4.350 -0.152 0.000 0.270 257 E C -1.013 175.511 176.600 -0.127 0.000 0.885 257 E CA -0.577 55.825 56.400 0.004 0.000 0.760 257 E CB 1.986 31.727 29.700 0.068 0.000 1.227 257 E HN 0.437 nan 8.360 nan 0.000 0.434 258 W N 1.335 122.825 121.300 0.316 0.000 3.138 258 W HA 0.263 4.832 4.660 -0.152 0.000 0.331 258 W C -0.871 175.945 176.519 0.495 0.000 1.166 258 W CA -0.650 56.965 57.345 0.450 0.000 1.212 258 W CB 1.918 31.752 29.460 0.624 0.000 1.399 258 W HN 0.392 nan 8.180 nan 0.000 0.514 259 D N 2.496 123.280 120.400 0.640 0.000 2.210 259 D HA 0.253 4.801 4.640 -0.152 0.000 0.249 259 D C -0.564 175.885 176.300 0.248 0.000 1.078 259 D CA -0.421 53.817 54.000 0.396 0.000 0.875 259 D CB 2.752 43.762 40.800 0.349 0.000 1.175 259 D HN 0.025 nan 8.370 nan 0.000 0.440 260 L N 3.119 124.260 121.223 -0.136 0.000 2.289 260 L HA 0.430 4.679 4.340 -0.152 0.000 0.285 260 L C -1.418 175.072 176.870 -0.634 0.000 1.049 260 L CA -0.098 54.417 54.840 -0.541 0.000 0.804 260 L CB 0.409 42.059 42.059 -0.683 0.000 1.195 260 L HN 0.173 nan 8.230 nan 0.000 0.428 261 F N 4.023 123.803 119.950 -0.283 0.000 2.551 261 F HA 0.604 5.040 4.527 -0.152 0.000 0.316 261 F C -0.271 175.338 175.800 -0.318 0.000 1.089 261 F CA -0.721 57.173 58.000 -0.178 0.000 0.915 261 F CB 2.156 41.121 39.000 -0.059 0.000 1.186 261 F HN 0.217 nan 8.300 nan 0.000 0.456 262 V N 3.707 123.609 119.914 -0.020 0.000 2.495 262 V HA 0.464 4.492 4.120 -0.152 0.000 0.298 262 V C -0.913 175.110 176.094 -0.118 0.000 1.031 262 V CA -0.332 61.861 62.300 -0.180 0.000 0.871 262 V CB 1.768 33.448 31.823 -0.238 0.000 0.988 262 V HN 0.775 nan 8.190 nan 0.000 0.432 263 Q N 4.390 124.092 119.800 -0.163 0.000 2.290 263 Q HA 0.609 4.858 4.340 -0.152 0.000 0.259 263 Q C -1.139 174.884 176.000 0.039 0.000 0.941 263 Q CA -0.516 55.305 55.803 0.030 0.000 0.912 263 Q CB 2.269 31.124 28.738 0.195 0.000 1.244 263 Q HN 0.640 nan 8.270 nan 0.000 0.441 264 V N 3.699 123.593 119.914 -0.035 0.000 2.513 264 V HA 0.517 4.546 4.120 -0.152 0.000 0.299 264 V C -0.842 175.204 176.094 -0.079 0.000 1.035 264 V CA -0.821 61.388 62.300 -0.152 0.000 0.889 264 V CB 1.666 33.177 31.823 -0.520 0.000 0.988 264 V HN 0.550 nan 8.190 nan 0.000 0.440 265 L N 3.533 124.733 121.223 -0.038 0.000 2.438 265 L HA 0.553 4.802 4.340 -0.152 0.000 0.270 265 L C -0.487 176.424 176.870 0.069 0.000 0.972 265 L CA -0.071 54.729 54.840 -0.067 0.000 0.831 265 L CB 1.857 43.707 42.059 -0.349 0.000 1.273 265 L HN 0.710 nan 8.230 nan 0.000 0.405 266 D N 5.916 126.350 120.400 0.057 0.000 2.425 266 D HA 0.144 4.693 4.640 -0.152 0.000 0.247 266 D C -1.797 174.585 176.300 0.137 0.000 1.147 266 D CA -1.190 52.856 54.000 0.077 0.000 0.879 266 D CB 2.184 43.017 40.800 0.056 0.000 1.179 266 D HN 0.424 nan 8.370 nan 0.000 0.456 267 P HA -0.116 nan 4.420 nan 0.000 0.220 267 P C 0.711 178.090 177.300 0.132 0.000 1.144 267 P CA 0.897 64.123 63.100 0.210 0.000 0.800 267 P CB 0.205 31.947 31.700 0.069 0.000 0.772 268 A N -0.400 122.463 122.820 0.072 0.000 2.014 268 A HA -0.113 4.116 4.320 -0.152 0.000 0.218 268 A C 1.480 179.065 177.584 0.002 0.000 1.163 268 A CA 1.372 53.425 52.037 0.028 0.000 0.652 268 A CB -0.740 18.270 19.000 0.017 0.000 0.808 268 A HN 0.076 nan 8.150 nan 0.000 0.449 269 D N -0.091 120.319 120.400 0.018 0.000 2.358 269 D HA 0.083 4.632 4.640 -0.152 0.000 0.224 269 D C 1.748 178.053 176.300 0.009 0.000 1.123 269 D CA 0.740 54.721 54.000 -0.030 0.000 0.833 269 D CB 0.269 41.048 40.800 -0.035 0.000 0.946 269 D HN 0.390 nan 8.370 nan 0.000 0.505 270 V N -1.390 118.547 119.914 0.039 0.000 2.759 270 V HA -0.069 3.960 4.120 -0.152 0.000 0.256 270 V C 1.487 177.581 176.094 0.001 0.000 1.080 270 V CA 1.218 63.543 62.300 0.042 0.000 1.101 270 V CB -0.128 31.695 31.823 -0.000 0.000 0.698 270 V HN -0.070 nan 8.190 nan 0.000 0.477 271 E N 1.109 121.266 120.200 -0.071 0.000 2.479 271 E HA 0.093 4.352 4.350 -0.152 0.000 0.193 271 E C 0.763 177.256 176.600 -0.180 0.000 1.049 271 E CA 0.147 56.486 56.400 -0.103 0.000 0.870 271 E CB -0.156 29.488 29.700 -0.093 0.000 0.944 271 E HN 0.695 nan 8.360 nan 0.000 0.492 272 N N 0.388 118.881 118.700 -0.345 0.000 2.362 272 N HA 0.079 4.728 4.740 -0.152 0.000 0.211 272 N C -0.454 174.557 175.510 -0.833 0.000 1.170 272 N CA 0.224 52.934 53.050 -0.566 0.000 0.828 272 N CB -0.112 37.963 38.487 -0.687 0.000 1.034 272 N HN 0.038 nan 8.380 nan 0.000 0.475 273 F N -0.226 119.560 119.950 -0.274 0.000 2.611 273 F HA 0.210 4.646 4.527 -0.152 0.000 0.324 273 F C 1.161 176.823 175.800 -0.229 0.000 1.061 273 F CA -1.328 56.463 58.000 -0.349 0.000 0.954 273 F CB 1.158 39.605 39.000 -0.921 0.000 1.301 273 F HN -0.148 nan 8.300 nan 0.000 0.482 274 D N 0.228 120.730 120.400 0.169 0.000 2.336 274 D HA 0.003 4.552 4.640 -0.152 0.000 0.229 274 D C -0.309 176.151 176.300 0.266 0.000 1.061 274 D CA 0.431 54.550 54.000 0.199 0.000 0.875 274 D CB -0.571 40.373 40.800 0.241 0.000 0.904 274 D HN 0.270 nan 8.370 nan 0.000 0.525 275 F N -1.674 118.346 119.950 0.118 0.000 2.643 275 F HA 0.499 4.933 4.527 -0.155 0.000 0.314 275 F C -0.819 175.011 175.800 0.050 0.000 1.096 275 F CA -1.725 56.310 58.000 0.059 0.000 0.953 275 F CB 0.872 39.884 39.000 0.021 0.000 1.345 275 F HN -0.344 nan 8.300 nan 0.000 0.468 276 D N 2.184 122.661 120.400 0.129 0.000 2.316 276 D HA 0.333 4.881 4.640 -0.152 0.000 0.245 276 D C -1.920 174.447 176.300 0.111 0.000 1.171 276 D CA -2.173 51.838 54.000 0.018 0.000 0.856 276 D CB 1.918 42.744 40.800 0.044 0.000 1.090 276 D HN 0.243 nan 8.370 nan 0.000 0.476 277 P HA -0.107 nan 4.420 nan 0.000 0.220 277 P C 0.958 178.395 177.300 0.229 0.000 1.144 277 P CA 0.527 63.723 63.100 0.159 0.000 0.800 277 P CB 0.349 31.976 31.700 -0.121 0.000 0.772 278 L N -1.516 119.720 121.223 0.022 0.000 2.628 278 L HA 0.156 4.405 4.340 -0.152 0.000 0.229 278 L C 0.461 177.332 176.870 0.001 0.000 1.137 278 L CA 0.254 55.064 54.840 -0.050 0.000 0.909 278 L CB -1.147 40.833 42.059 -0.132 0.000 1.137 278 L HN -0.101 nan 8.230 nan 0.000 0.470 279 D N -0.144 120.293 120.400 0.061 0.000 2.339 279 D HA 0.218 4.767 4.640 -0.152 0.000 0.241 279 D C 1.279 177.598 176.300 0.030 0.000 1.183 279 D CA 0.197 54.232 54.000 0.060 0.000 0.859 279 D CB 1.547 42.401 40.800 0.091 0.000 1.067 279 D HN 0.114 nan 8.370 nan 0.000 0.484 280 A N 3.045 125.886 122.820 0.035 0.000 2.186 280 A HA -0.142 4.086 4.320 -0.152 0.000 0.219 280 A C 1.818 179.396 177.584 -0.011 0.000 1.159 280 A CA 1.782 53.819 52.037 -0.001 0.000 0.680 280 A CB -0.686 18.361 19.000 0.079 0.000 0.787 280 A HN 0.656 nan 8.150 nan 0.000 0.467 281 T N -3.213 111.346 114.554 0.008 0.000 3.129 281 T HA 0.187 4.446 4.350 -0.152 0.000 0.251 281 T C 0.454 175.098 174.700 -0.092 0.000 1.117 281 T CA 0.012 62.098 62.100 -0.023 0.000 1.034 281 T CB -0.015 68.853 68.868 0.000 0.000 0.968 281 T HN 0.162 nan 8.240 nan 0.000 0.526 282 K N 1.914 122.234 120.400 -0.133 0.000 2.324 282 K HA 0.474 4.703 4.320 -0.152 0.000 0.253 282 K C -1.166 175.230 176.600 -0.339 0.000 0.932 282 K CA -0.661 55.460 56.287 -0.276 0.000 0.799 282 K CB 2.090 34.425 32.500 -0.274 0.000 1.154 282 K HN 0.111 nan 8.250 nan 0.000 0.425 283 D N 0.936 121.049 120.400 -0.480 0.000 2.253 283 D HA 0.240 4.789 4.640 -0.152 0.000 0.249 283 D C -0.733 175.320 176.300 -0.411 0.000 1.049 283 D CA -0.304 53.443 54.000 -0.421 0.000 0.929 283 D CB 0.680 41.241 40.800 -0.398 0.000 1.176 283 D HN 0.199 nan 8.370 nan 0.000 0.437 284 W N 3.826 124.890 121.300 -0.392 0.000 2.316 284 W HA 0.322 4.889 4.660 -0.155 0.000 0.339 284 W C -0.201 176.258 176.519 -0.100 0.000 1.002 284 W CA -1.169 56.016 57.345 -0.266 0.000 1.465 284 W CB -0.892 28.494 29.460 -0.124 0.000 1.300 284 W HN 0.202 nan 8.180 nan 0.000 0.378 285 F N 1.967 122.034 119.950 0.195 0.000 2.608 285 F HA -0.132 4.304 4.527 -0.152 0.000 0.380 285 F C 1.979 177.892 175.800 0.189 0.000 1.083 285 F CA 0.280 58.373 58.000 0.156 0.000 1.266 285 F CB 0.698 39.754 39.000 0.093 0.000 1.076 285 F HN 0.414 nan 8.300 nan 0.000 0.574 286 E N 2.313 122.728 120.200 0.358 0.000 2.070 286 E HA -0.309 3.949 4.350 -0.152 0.000 0.197 286 E C 1.732 178.396 176.600 0.106 0.000 1.004 286 E CA 2.021 58.499 56.400 0.131 0.000 0.805 286 E CB -0.155 29.315 29.700 -0.384 0.000 0.744 286 E HN 0.746 nan 8.360 nan 0.000 0.451 287 D N 0.372 120.829 120.400 0.095 0.000 2.378 287 D HA -0.123 4.425 4.640 -0.152 0.000 0.227 287 D C 1.790 178.171 176.300 0.135 0.000 1.012 287 D CA 1.212 55.254 54.000 0.070 0.000 0.905 287 D CB 0.299 41.106 40.800 0.011 0.000 0.895 287 D HN 0.366 nan 8.370 nan 0.000 0.532 288 V N -2.036 118.011 119.914 0.221 0.000 3.013 288 V HA 0.322 4.351 4.120 -0.152 0.000 0.238 288 V C 0.913 177.122 176.094 0.192 0.000 1.161 288 V CA -0.114 62.326 62.300 0.234 0.000 1.170 288 V CB 0.031 32.058 31.823 0.340 0.000 0.917 288 V HN -0.001 nan 8.190 nan 0.000 0.478 289 I N 3.919 124.602 120.570 0.189 0.000 2.411 289 I HA 0.483 4.561 4.170 -0.152 0.000 0.284 289 I C -2.710 173.561 176.117 0.256 0.000 1.012 289 I CA -2.165 59.229 61.300 0.158 0.000 1.119 289 I CB 2.221 40.247 38.000 0.043 0.000 1.261 289 I HN 0.144 nan 8.210 nan 0.000 0.448 290 P HA 0.139 nan 4.420 nan 0.000 0.275 290 P C -0.748 176.793 177.300 0.401 0.000 1.228 290 P CA -0.212 63.040 63.100 0.254 0.000 0.786 290 P CB 0.504 32.304 31.700 0.167 0.000 0.927 291 F N 1.413 121.399 119.950 0.059 0.000 2.504 291 F HA 0.163 4.598 4.527 -0.153 0.000 0.369 291 F C 1.373 177.320 175.800 0.245 0.000 1.082 291 F CA 0.263 58.319 58.000 0.093 0.000 1.216 291 F CB -0.194 38.697 39.000 -0.181 0.000 1.108 291 F HN 0.209 nan 8.300 nan 0.000 0.554 292 Q N 2.554 122.627 119.800 0.455 0.000 2.316 292 Q HA 0.217 4.466 4.340 -0.152 0.000 0.264 292 Q C -0.282 176.001 176.000 0.471 0.000 0.987 292 Q CA -0.744 55.322 55.803 0.439 0.000 0.852 292 Q CB 2.260 31.186 28.738 0.314 0.000 1.287 292 Q HN 0.560 nan 8.270 nan 0.000 0.448 293 H N 2.073 121.333 119.070 0.317 0.000 2.764 293 H HA 0.114 4.579 4.556 -0.152 0.000 0.341 293 H C -0.104 175.200 175.328 -0.040 0.000 1.072 293 H CA 0.209 56.218 56.048 -0.066 0.000 1.444 293 H CB 1.033 30.760 29.762 -0.058 0.000 1.458 293 H HN 0.494 nan 8.280 nan 0.000 0.572 294 V N 3.507 123.036 119.914 -0.643 0.000 2.996 294 V HA 0.313 4.341 4.120 -0.152 0.000 0.235 294 V C 1.087 177.005 176.094 -0.293 0.000 1.205 294 V CA 0.744 62.889 62.300 -0.258 0.000 1.225 294 V CB 0.652 32.447 31.823 -0.046 0.000 0.995 294 V HN 0.981 nan 8.190 nan 0.000 0.484 295 G N -0.050 108.415 108.800 -0.559 0.000 2.320 295 G HA2 0.493 4.362 3.960 -0.152 0.000 0.296 295 G HA3 0.493 4.362 3.960 -0.152 0.000 0.296 295 G C -1.020 173.671 174.900 -0.349 0.000 1.306 295 G CA 0.254 45.099 45.100 -0.424 0.000 0.836 295 G HN 0.339 nan 8.290 nan 0.000 0.517 296 T N -2.093 112.209 114.554 -0.421 0.000 2.876 296 T HA 0.686 4.945 4.350 -0.152 0.000 0.289 296 T C -0.249 174.465 174.700 0.024 0.000 1.014 296 T CA -0.521 61.577 62.100 -0.004 0.000 0.986 296 T CB 1.828 70.756 68.868 0.099 0.000 1.021 296 T HN 0.974 nan 8.240 nan 0.000 0.458 297 M N 2.984 122.894 119.600 0.517 0.000 2.238 297 M HA 0.531 4.920 4.480 -0.152 0.000 0.350 297 M C -1.263 175.264 176.300 0.379 0.000 1.138 297 M CA -0.161 55.449 55.300 0.517 0.000 1.040 297 M CB 1.337 34.311 32.600 0.623 0.000 1.639 297 M HN 0.798 nan 8.290 nan 0.000 0.451 298 T N 5.555 120.245 114.554 0.226 0.000 2.807 298 T HA 0.525 4.784 4.350 -0.152 0.000 0.279 298 T C -0.931 173.819 174.700 0.084 0.000 0.993 298 T CA -0.614 61.589 62.100 0.170 0.000 0.970 298 T CB 1.219 70.144 68.868 0.094 0.000 0.950 298 T HN 0.461 nan 8.240 nan 0.000 0.441 299 L N 4.969 126.264 121.223 0.120 0.000 2.264 299 L HA 0.408 4.657 4.340 -0.152 0.000 0.287 299 L C 0.926 177.690 176.870 -0.176 0.000 1.039 299 L CA -0.420 54.439 54.840 0.032 0.000 0.829 299 L CB 0.429 42.595 42.059 0.179 0.000 1.211 299 L HN 0.708 nan 8.230 nan 0.000 0.427 300 N N 1.605 120.063 118.700 -0.403 0.000 2.171 300 N HA 0.094 4.742 4.740 -0.152 0.000 0.212 300 N C -0.030 175.223 175.510 -0.428 0.000 1.184 300 N CA -0.212 52.264 53.050 -0.957 0.000 0.888 300 N CB 0.646 38.435 38.487 -1.163 0.000 1.038 300 N HN 0.406 nan 8.380 nan 0.000 0.517 301 K N 0.308 120.615 120.400 -0.154 0.000 2.553 301 K HA 0.299 4.528 4.320 -0.152 0.000 0.250 301 K C -1.266 175.355 176.600 0.035 0.000 0.953 301 K CA -0.587 55.674 56.287 -0.043 0.000 0.800 301 K CB 1.277 33.753 32.500 -0.039 0.000 1.243 301 K HN -0.127 nan 8.250 nan 0.000 0.435 302 N N 1.448 120.135 118.700 -0.022 0.000 2.444 302 N HA 0.071 4.720 4.740 -0.152 0.000 0.255 302 N C -0.094 175.501 175.510 0.142 0.000 1.255 302 N CA -0.235 52.794 53.050 -0.036 0.000 0.933 302 N CB 0.959 39.220 38.487 -0.376 0.000 1.143 302 N HN 0.433 nan 8.380 nan 0.000 0.453 303 V N -0.852 119.193 119.914 0.218 0.000 2.843 303 V HA 0.071 4.099 4.120 -0.152 0.000 0.305 303 V C 0.909 177.133 176.094 0.218 0.000 1.065 303 V CA -0.070 62.390 62.300 0.267 0.000 1.116 303 V CB 0.679 32.642 31.823 0.232 0.000 0.968 303 V HN 0.478 nan 8.190 nan 0.000 0.487 304 D N 1.657 122.144 120.400 0.145 0.000 2.162 304 D HA -0.019 4.530 4.640 -0.152 0.000 0.203 304 D C 0.671 177.059 176.300 0.146 0.000 0.967 304 D CA 1.518 55.587 54.000 0.117 0.000 0.840 304 D CB 0.101 40.929 40.800 0.047 0.000 0.972 304 D HN 0.801 nan 8.370 nan 0.000 0.482 305 N N -0.851 117.937 118.700 0.146 0.000 2.478 305 N HA -0.053 4.596 4.740 -0.152 0.000 0.291 305 N C -0.103 175.527 175.510 0.200 0.000 1.090 305 N CA -0.344 52.812 53.050 0.176 0.000 0.911 305 N CB 1.257 39.824 38.487 0.133 0.000 1.546 305 N HN -0.184 nan 8.380 nan 0.000 0.500 306 Y N 4.051 124.441 120.300 0.149 0.000 2.097 306 Y HA -0.221 4.237 4.550 -0.153 0.000 0.282 306 Y C 1.860 177.833 175.900 0.121 0.000 1.152 306 Y CA 1.968 60.154 58.100 0.143 0.000 1.136 306 Y CB -0.187 38.375 38.460 0.170 0.000 0.975 306 Y HN 0.691 nan 8.280 nan 0.000 0.498 307 F N 0.240 120.318 119.950 0.213 0.000 2.069 307 F HA -0.236 4.200 4.527 -0.152 0.000 0.298 307 F C 2.309 178.089 175.800 -0.034 0.000 1.113 307 F CA 1.957 60.017 58.000 0.099 0.000 1.214 307 F CB -0.640 38.421 39.000 0.101 0.000 0.978 307 F HN 0.057 nan 8.300 nan 0.000 0.474 308 A N -1.062 121.787 122.820 0.049 0.000 2.167 308 A HA -0.004 4.225 4.320 -0.152 0.000 0.214 308 A C 1.766 179.209 177.584 -0.235 0.000 1.151 308 A CA 1.406 53.391 52.037 -0.088 0.000 0.735 308 A CB -0.440 18.570 19.000 0.016 0.000 0.802 308 A HN 0.601 nan 8.150 nan 0.000 0.467 309 E N -1.955 118.086 120.200 -0.266 0.000 2.592 309 E HA 0.018 4.277 4.350 -0.152 0.000 0.184 309 E C 1.760 178.101 176.600 -0.432 0.000 1.056 309 E CA 0.700 56.845 56.400 -0.425 0.000 1.151 309 E CB -0.076 29.418 29.700 -0.343 0.000 1.435 309 E HN 0.318 nan 8.360 nan 0.000 0.496 310 T N 1.309 115.658 114.554 -0.341 0.000 2.777 310 T HA -0.132 4.127 4.350 -0.152 0.000 0.266 310 T C 1.765 176.190 174.700 -0.457 0.000 1.040 310 T CA 1.570 63.453 62.100 -0.361 0.000 1.141 310 T CB -0.104 68.281 68.868 -0.805 0.000 0.868 310 T HN 0.020 nan 8.240 nan 0.000 0.444 311 E N 1.390 121.250 120.200 -0.565 0.000 2.047 311 E HA -0.011 4.247 4.350 -0.152 0.000 0.191 311 E C 2.159 178.505 176.600 -0.423 0.000 0.987 311 E CA 1.073 57.231 56.400 -0.403 0.000 0.799 311 E CB -0.317 29.183 29.700 -0.333 0.000 0.752 311 E HN 0.289 nan 8.360 nan 0.000 0.449 312 S N -0.562 114.831 115.700 -0.512 0.000 2.562 312 S HA 0.094 4.472 4.470 -0.152 0.000 0.221 312 S C 0.485 174.887 174.600 -0.330 0.000 0.975 312 S CA -0.038 57.894 58.200 -0.448 0.000 0.918 312 S CB 0.319 63.233 63.200 -0.477 0.000 0.772 312 S HN 0.172 nan 8.310 nan 0.000 0.531 313 V N 2.106 121.816 119.914 -0.340 0.000 2.811 313 V HA 0.574 4.602 4.120 -0.152 0.000 0.302 313 V C 0.424 176.278 176.094 -0.400 0.000 1.063 313 V CA 0.038 62.101 62.300 -0.396 0.000 1.088 313 V CB 0.920 32.465 31.823 -0.462 0.000 0.982 313 V HN 0.304 nan 8.190 nan 0.000 0.485 314 G N 5.327 113.868 108.800 -0.431 0.000 2.530 314 G HA2 0.673 4.542 3.960 -0.152 0.000 0.316 314 G HA3 0.673 4.542 3.960 -0.152 0.000 0.316 314 G C -1.394 173.236 174.900 -0.451 0.000 1.298 314 G CA -0.497 44.406 45.100 -0.327 0.000 0.948 314 G HN 0.555 nan 8.290 nan 0.000 0.486 315 F N 0.939 120.861 119.950 -0.047 0.000 2.556 315 F HA 0.630 5.066 4.527 -0.152 0.000 0.327 315 F C 0.171 175.917 175.800 -0.089 0.000 1.059 315 F CA -1.156 56.786 58.000 -0.097 0.000 0.953 315 F CB 2.766 41.657 39.000 -0.181 0.000 1.227 315 F HN 0.394 nan 8.300 nan 0.000 0.478 316 N N 1.693 120.396 118.700 0.004 0.000 2.455 316 N HA 0.299 4.947 4.740 -0.152 0.000 0.285 316 N C -2.424 172.944 175.510 -0.237 0.000 1.080 316 N CA -2.275 50.636 53.050 -0.231 0.000 0.932 316 N CB 2.541 41.015 38.487 -0.021 0.000 1.610 316 N HN 0.096 nan 8.380 nan 0.000 0.493 317 P HA -0.005 nan 4.420 nan 0.000 0.223 317 P C 0.933 178.296 177.300 0.106 0.000 1.144 317 P CA 0.894 63.905 63.100 -0.149 0.000 0.783 317 P CB 0.140 31.745 31.700 -0.158 0.000 0.771 318 G N -0.289 108.527 108.800 0.026 0.000 2.985 318 G HA2 0.074 3.943 3.960 -0.152 0.000 0.209 318 G HA3 0.074 3.943 3.960 -0.152 0.000 0.209 318 G C 0.411 175.386 174.900 0.125 0.000 1.165 318 G CA -0.032 45.131 45.100 0.105 0.000 0.776 318 G HN 0.164 nan 8.290 nan 0.000 0.541 319 V N 2.195 122.181 119.914 0.121 0.000 2.338 319 V HA 0.391 4.420 4.120 -0.152 0.000 0.255 319 V C -0.099 176.155 176.094 0.268 0.000 1.082 319 V CA -0.006 62.380 62.300 0.143 0.000 0.951 319 V CB 0.347 32.226 31.823 0.094 0.000 1.102 319 V HN 0.130 nan 8.190 nan 0.000 0.489 320 L N 5.295 126.643 121.223 0.209 0.000 2.341 320 L HA 0.725 4.974 4.340 -0.152 0.000 0.267 320 L C -0.111 176.793 176.870 0.056 0.000 1.009 320 L CA -1.072 53.865 54.840 0.161 0.000 0.819 320 L CB 2.329 44.454 42.059 0.110 0.000 1.323 320 L HN 0.448 nan 8.230 nan 0.000 0.425 321 V N -0.787 119.092 119.914 -0.058 0.000 2.973 321 V HA 0.565 4.594 4.120 -0.152 0.000 0.314 321 V C -2.450 173.606 176.094 -0.063 0.000 1.066 321 V CA -2.504 59.776 62.300 -0.033 0.000 1.021 321 V CB 0.584 32.404 31.823 -0.005 0.000 1.076 321 V HN 0.529 nan 8.190 nan 0.000 0.462 322 P HA 0.298 nan 4.420 nan 0.000 0.264 322 P C 0.921 178.167 177.300 -0.090 0.000 1.183 322 P CA 1.843 64.957 63.100 0.024 0.000 0.763 322 P CB 0.577 32.387 31.700 0.183 0.000 0.807 323 G N 1.560 110.293 108.800 -0.112 0.000 2.218 323 G HA2 -0.194 3.675 3.960 -0.152 0.000 0.216 323 G HA3 -0.194 3.675 3.960 -0.152 0.000 0.216 323 G C -0.073 174.694 174.900 -0.221 0.000 0.994 323 G CA -0.247 44.730 45.100 -0.205 0.000 0.637 323 G HN 0.474 nan 8.290 nan 0.000 0.505 324 M N 0.341 119.846 119.600 -0.159 0.000 2.464 324 M HA 0.803 5.192 4.480 -0.152 0.000 0.308 324 M C -0.586 175.752 176.300 0.065 0.000 1.127 324 M CA -0.611 54.662 55.300 -0.046 0.000 0.913 324 M CB 2.680 35.159 32.600 -0.202 0.000 1.689 324 M HN 0.051 nan 8.290 nan 0.000 0.445 325 L N 2.590 123.914 121.223 0.169 0.000 2.465 325 L HA 0.673 4.921 4.340 -0.152 0.000 0.257 325 L C -2.477 174.520 176.870 0.212 0.000 0.988 325 L CA -1.872 53.057 54.840 0.148 0.000 0.827 325 L CB 3.246 45.357 42.059 0.086 0.000 1.397 325 L HN 0.403 nan 8.230 nan 0.000 0.410 326 P HA 0.136 nan 4.420 nan 0.000 0.277 326 P C -0.676 176.597 177.300 -0.045 0.000 1.240 326 P CA -0.308 62.783 63.100 -0.016 0.000 0.798 326 P CB 1.401 33.060 31.700 -0.067 0.000 0.979 327 S N 1.143 116.752 115.700 -0.152 0.000 2.661 327 S HA 0.170 4.548 4.470 -0.152 0.000 0.265 327 S C 0.808 175.374 174.600 -0.057 0.000 1.225 327 S CA -0.288 57.925 58.200 0.021 0.000 0.986 327 S CB 0.174 63.414 63.200 0.067 0.000 1.008 327 S HN 0.312 nan 8.310 nan 0.000 0.565 328 E N 0.193 120.404 120.200 0.019 0.000 2.494 328 E HA 0.129 4.388 4.350 -0.152 0.000 0.193 328 E C -0.337 176.223 176.600 -0.067 0.000 1.074 328 E CA 0.021 56.413 56.400 -0.013 0.000 0.867 328 E CB -0.272 29.456 29.700 0.047 0.000 0.924 328 E HN 0.602 nan 8.360 nan 0.000 0.502 329 D N 1.650 121.974 120.400 -0.127 0.000 2.554 329 D HA -0.113 4.436 4.640 -0.152 0.000 0.251 329 D C 0.567 176.780 176.300 -0.144 0.000 1.213 329 D CA 0.415 54.333 54.000 -0.137 0.000 0.900 329 D CB 0.617 41.302 40.800 -0.192 0.000 1.135 329 D HN 0.050 nan 8.370 nan 0.000 0.522 330 K N 3.039 123.397 120.400 -0.069 0.000 2.281 330 K HA -0.179 4.050 4.320 -0.152 0.000 0.203 330 K C 1.627 178.193 176.600 -0.057 0.000 1.046 330 K CA 0.512 56.770 56.287 -0.047 0.000 0.938 330 K CB 0.168 32.666 32.500 -0.003 0.000 0.737 330 K HN 0.373 nan 8.250 nan 0.000 0.458 331 L N 0.644 121.826 121.223 -0.069 0.000 2.127 331 L HA -0.056 4.193 4.340 -0.152 0.000 0.203 331 L C 1.970 178.680 176.870 -0.266 0.000 1.080 331 L CA 0.942 55.737 54.840 -0.075 0.000 0.768 331 L CB -0.274 41.821 42.059 0.060 0.000 0.924 331 L HN 0.044 nan 8.230 nan 0.000 0.444 332 L N -0.707 120.189 121.223 -0.544 0.000 2.056 332 L HA -0.174 4.075 4.340 -0.152 0.000 0.207 332 L C 2.366 179.006 176.870 -0.382 0.000 1.078 332 L CA 1.735 56.091 54.840 -0.807 0.000 0.749 332 L CB -0.868 40.553 42.059 -1.063 0.000 0.901 332 L HN 0.345 nan 8.230 nan 0.000 0.433 333 Q N -0.275 119.371 119.800 -0.256 0.000 2.170 333 Q HA -0.105 4.144 4.340 -0.152 0.000 0.203 333 Q C 2.051 178.016 176.000 -0.058 0.000 0.976 333 Q CA 1.462 57.184 55.803 -0.135 0.000 0.858 333 Q CB -0.513 28.165 28.738 -0.100 0.000 0.907 333 Q HN 0.703 nan 8.270 nan 0.000 0.433 334 G N 0.783 109.549 108.800 -0.057 0.000 2.403 334 G HA2 -0.207 3.661 3.960 -0.152 0.000 0.216 334 G HA3 -0.207 3.661 3.960 -0.152 0.000 0.216 334 G C 1.516 176.449 174.900 0.054 0.000 1.154 334 G CA 0.103 45.215 45.100 0.021 0.000 0.784 334 G HN 0.247 nan 8.290 nan 0.000 0.538 335 R N 0.045 120.527 120.500 -0.030 0.000 2.096 335 R HA 0.035 4.284 4.340 -0.152 0.000 0.235 335 R C 2.539 178.904 176.300 0.109 0.000 1.127 335 R CA 0.865 57.013 56.100 0.079 0.000 0.968 335 R CB -0.573 29.698 30.300 -0.048 0.000 0.861 335 R HN 0.321 nan 8.270 nan 0.000 0.440 336 L N -0.192 121.042 121.223 0.019 0.000 2.051 336 L HA -0.258 3.991 4.340 -0.152 0.000 0.214 336 L C 2.398 179.352 176.870 0.140 0.000 1.076 336 L CA 1.529 56.400 54.840 0.050 0.000 0.758 336 L CB -0.545 41.535 42.059 0.035 0.000 0.890 336 L HN 0.168 nan 8.230 nan 0.000 0.433 337 F N -0.057 119.908 119.950 0.024 0.000 2.118 337 F HA -0.134 4.301 4.527 -0.155 0.000 0.293 337 F C 2.809 178.640 175.800 0.051 0.000 1.102 337 F CA 1.530 59.548 58.000 0.031 0.000 1.247 337 F CB -0.494 38.510 39.000 0.006 0.000 1.017 337 F HN -0.104 nan 8.300 nan 0.000 0.475 338 S N -0.557 115.069 115.700 -0.123 0.000 2.365 338 S HA -0.266 4.112 4.470 -0.152 0.000 0.225 338 S C 2.074 176.485 174.600 -0.315 0.000 1.039 338 S CA 1.970 59.989 58.200 -0.302 0.000 1.033 338 S CB -0.745 62.366 63.200 -0.149 0.000 0.887 338 S HN 0.550 nan 8.310 nan 0.000 0.447 339 Y N 1.200 121.354 120.300 -0.243 0.000 2.133 339 Y HA -0.076 4.381 4.550 -0.155 0.000 0.287 339 Y C 3.118 178.873 175.900 -0.242 0.000 1.134 339 Y CA 1.456 59.436 58.100 -0.200 0.000 1.133 339 Y CB -0.579 37.803 38.460 -0.130 0.000 0.987 339 Y HN 0.220 nan 8.280 nan 0.000 0.502 340 S N -0.287 115.391 115.700 -0.036 0.000 2.368 340 S HA -0.231 4.148 4.470 -0.152 0.000 0.225 340 S C 1.613 176.090 174.600 -0.204 0.000 1.030 340 S CA 1.519 59.675 58.200 -0.074 0.000 0.999 340 S CB -0.512 62.731 63.200 0.073 0.000 0.844 340 S HN 0.504 nan 8.310 nan 0.000 0.459 341 D N 0.901 121.097 120.400 -0.340 0.000 2.106 341 D HA -0.153 4.396 4.640 -0.152 0.000 0.191 341 D C 2.087 178.225 176.300 -0.269 0.000 0.997 341 D CA 1.959 55.710 54.000 -0.416 0.000 0.834 341 D CB -0.510 39.708 40.800 -0.970 0.000 0.956 341 D HN 0.287 nan 8.370 nan 0.000 0.448 342 T N -1.274 113.111 114.554 -0.281 0.000 2.867 342 T HA -0.134 4.125 4.350 -0.152 0.000 0.268 342 T C 1.887 176.480 174.700 -0.179 0.000 1.057 342 T CA 1.482 63.478 62.100 -0.172 0.000 1.136 342 T CB -0.202 68.558 68.868 -0.180 0.000 0.874 342 T HN 0.204 nan 8.240 nan 0.000 0.466 343 Q N 0.012 119.604 119.800 -0.345 0.000 2.124 343 Q HA 0.005 4.253 4.340 -0.152 0.000 0.202 343 Q C 2.554 178.243 176.000 -0.518 0.000 0.977 343 Q CA 1.303 56.761 55.803 -0.575 0.000 0.850 343 Q CB -0.052 28.049 28.738 -1.062 0.000 0.901 343 Q HN 0.431 nan 8.270 nan 0.000 0.429 344 R N -0.812 119.498 120.500 -0.317 0.000 2.096 344 R HA -0.181 4.068 4.340 -0.152 0.000 0.235 344 R C 2.145 178.442 176.300 -0.005 0.000 1.127 344 R CA 1.628 57.703 56.100 -0.041 0.000 0.968 344 R CB -0.261 30.070 30.300 0.052 0.000 0.861 344 R HN 0.388 nan 8.270 nan 0.000 0.440 345 H N 0.475 119.483 119.070 -0.104 0.000 2.307 345 H HA -0.024 4.441 4.556 -0.152 0.000 0.303 345 H C 2.170 177.449 175.328 -0.082 0.000 1.073 345 H CA 1.835 57.838 56.048 -0.075 0.000 1.338 345 H CB 0.062 29.779 29.762 -0.075 0.000 1.389 345 H HN -0.024 nan 8.280 nan 0.000 0.503 346 R N -0.153 120.124 120.500 -0.370 0.000 2.062 346 R HA -0.006 4.243 4.340 -0.152 0.000 0.229 346 R C 1.999 178.130 176.300 -0.283 0.000 1.128 346 R CA 1.937 57.792 56.100 -0.409 0.000 0.960 346 R CB -0.039 30.125 30.300 -0.228 0.000 0.855 346 R HN 0.477 nan 8.270 nan 0.000 0.432 347 I N -0.956 119.474 120.570 -0.234 0.000 2.556 347 I HA 0.281 4.360 4.170 -0.152 0.000 0.251 347 I C 0.835 176.912 176.117 -0.067 0.000 1.105 347 I CA 0.524 61.731 61.300 -0.154 0.000 1.436 347 I CB 0.427 38.339 38.000 -0.147 0.000 1.139 347 I HN 0.379 nan 8.210 nan 0.000 0.438 348 G N 0.232 109.013 108.800 -0.032 0.000 2.321 348 G HA2 0.033 3.901 3.960 -0.152 0.000 0.339 348 G HA3 0.033 3.901 3.960 -0.152 0.000 0.339 348 G C -2.688 172.290 174.900 0.129 0.000 1.518 348 G CA -0.834 44.286 45.100 0.033 0.000 0.994 348 G HN -0.259 nan 8.290 nan 0.000 0.668 349 P HA -0.096 nan 4.420 nan 0.000 0.217 349 P C 1.039 178.408 177.300 0.115 0.000 1.151 349 P CA 1.197 64.371 63.100 0.123 0.000 0.849 349 P CB 0.174 31.918 31.700 0.075 0.000 0.787 350 N N -1.235 117.510 118.700 0.074 0.000 2.376 350 N HA 0.035 4.684 4.740 -0.152 0.000 0.249 350 N C 1.017 176.507 175.510 -0.032 0.000 1.140 350 N CA -0.175 52.875 53.050 0.001 0.000 0.870 350 N CB -0.414 38.080 38.487 0.012 0.000 1.124 350 N HN 0.364 nan 8.380 nan 0.000 0.505 351 Y N 0.288 120.558 120.300 -0.050 0.000 2.207 351 Y HA -0.090 4.369 4.550 -0.151 0.000 0.287 351 Y C 1.847 177.694 175.900 -0.088 0.000 1.156 351 Y CA 1.157 59.207 58.100 -0.083 0.000 1.182 351 Y CB -0.253 38.147 38.460 -0.099 0.000 0.979 351 Y HN -0.053 nan 8.280 nan 0.000 0.521 352 Q N 0.922 120.275 119.800 -0.745 0.000 2.437 352 Q HA -0.145 4.104 4.340 -0.152 0.000 0.210 352 Q C 1.741 177.598 176.000 -0.238 0.000 0.972 352 Q CA 1.319 56.806 55.803 -0.525 0.000 0.903 352 Q CB -0.204 28.180 28.738 -0.589 0.000 0.967 352 Q HN 0.777 nan 8.270 nan 0.000 0.486 353 Q N -0.567 119.132 119.800 -0.169 0.000 2.424 353 Q HA 0.124 4.373 4.340 -0.152 0.000 0.204 353 Q C 0.191 176.145 176.000 -0.076 0.000 0.933 353 Q CA -0.118 55.636 55.803 -0.081 0.000 0.929 353 Q CB 0.402 29.127 28.738 -0.020 0.000 1.037 353 Q HN 0.291 nan 8.270 nan 0.000 0.511 354 L N 2.085 123.247 121.223 -0.103 0.000 2.453 354 L HA 0.009 4.258 4.340 -0.152 0.000 0.272 354 L C -1.482 175.312 176.870 -0.126 0.000 1.182 354 L CA -1.351 53.413 54.840 -0.128 0.000 0.858 354 L CB 0.226 42.210 42.059 -0.126 0.000 1.120 354 L HN -0.072 nan 8.230 nan 0.000 0.474 355 P HA -0.258 nan 4.420 nan 0.000 0.217 355 P C 1.565 178.781 177.300 -0.140 0.000 1.158 355 P CA 1.271 64.291 63.100 -0.133 0.000 0.887 355 P CB 0.182 31.793 31.700 -0.149 0.000 0.792 356 I N -1.016 119.443 120.570 -0.186 0.000 2.454 356 I HA -0.164 3.914 4.170 -0.152 0.000 0.254 356 I C 1.358 177.408 176.117 -0.112 0.000 1.156 356 I CA 1.665 62.822 61.300 -0.239 0.000 1.433 356 I CB -0.585 37.168 38.000 -0.412 0.000 1.082 356 I HN -0.099 nan 8.210 nan 0.000 0.432 357 N N -1.151 117.492 118.700 -0.096 0.000 2.322 357 N HA 0.055 4.703 4.740 -0.152 0.000 0.181 357 N C 0.398 175.905 175.510 -0.006 0.000 1.088 357 N CA 0.091 53.096 53.050 -0.074 0.000 0.885 357 N CB -0.285 38.143 38.487 -0.098 0.000 1.013 357 N HN 0.251 nan 8.380 nan 0.000 0.472 358 C N 3.677 122.981 119.300 0.007 0.000 2.634 358 C HA 0.169 4.538 4.460 -0.152 0.000 0.418 358 C C -1.947 173.124 174.990 0.135 0.000 1.373 358 C CA -0.974 58.052 59.018 0.013 0.000 1.756 358 C CB -0.090 27.633 27.740 -0.028 0.000 2.589 358 C HN 0.232 nan 8.230 nan 0.000 0.602 359 P HA 0.095 nan 4.420 nan 0.000 0.272 359 P C 0.370 177.787 177.300 0.196 0.000 1.223 359 P CA -0.059 63.153 63.100 0.187 0.000 0.784 359 P CB 0.276 32.023 31.700 0.078 0.000 0.923 360 F N 2.592 122.627 119.950 0.141 0.000 2.113 360 F HA 0.032 4.467 4.527 -0.152 0.000 0.297 360 F C 1.089 176.904 175.800 0.026 0.000 1.103 360 F CA 0.988 59.022 58.000 0.056 0.000 1.248 360 F CB -0.569 38.483 39.000 0.085 0.000 0.999 360 F HN 0.290 nan 8.300 nan 0.000 0.475 361 A N 1.383 124.270 122.820 0.111 0.000 2.466 361 A HA 0.118 4.347 4.320 -0.152 0.000 0.238 361 A C 0.142 177.661 177.584 -0.109 0.000 1.074 361 A CA -0.428 51.588 52.037 -0.034 0.000 0.774 361 A CB -0.022 19.012 19.000 0.056 0.000 1.015 361 A HN 0.407 nan 8.150 nan 0.000 0.498 362 Q N 0.340 120.055 119.800 -0.141 0.000 2.340 362 Q HA 0.361 4.610 4.340 -0.152 0.000 0.249 362 Q C -0.768 175.171 176.000 -0.101 0.000 0.957 362 Q CA 0.016 55.740 55.803 -0.131 0.000 0.882 362 Q CB 1.287 29.942 28.738 -0.137 0.000 1.235 362 Q HN 0.469 nan 8.270 nan 0.000 0.439 363 V N 4.968 124.823 119.914 -0.098 0.000 2.370 363 V HA 0.353 4.382 4.120 -0.152 0.000 0.279 363 V C -0.252 175.773 176.094 -0.115 0.000 1.029 363 V CA -0.578 61.665 62.300 -0.096 0.000 0.870 363 V CB 1.203 32.974 31.823 -0.088 0.000 0.984 363 V HN 0.643 nan 8.190 nan 0.000 0.451 364 N N 4.923 123.547 118.700 -0.126 0.000 2.581 364 N HA 0.425 5.074 4.740 -0.152 0.000 0.279 364 N C -1.020 174.365 175.510 -0.208 0.000 1.124 364 N CA -0.423 52.525 53.050 -0.170 0.000 0.833 364 N CB 2.254 40.647 38.487 -0.157 0.000 1.338 364 N HN 0.931 nan 8.380 nan 0.000 0.533 365 N N -0.312 118.225 118.700 -0.272 0.000 3.439 365 N HA 0.272 4.921 4.740 -0.152 0.000 0.313 365 N C -0.975 174.255 175.510 -0.466 0.000 1.598 365 N CA -0.505 52.361 53.050 -0.306 0.000 0.830 365 N CB 0.569 39.015 38.487 -0.070 0.000 1.849 365 N HN 0.141 nan 8.380 nan 0.000 0.598 366 Y N -0.637 119.647 120.300 -0.027 0.000 2.507 366 Y HA 0.375 4.834 4.550 -0.152 0.000 0.254 366 Y C 0.223 176.122 175.900 -0.002 0.000 1.171 366 Y CA -0.454 57.635 58.100 -0.018 0.000 1.238 366 Y CB 0.297 38.754 38.460 -0.007 0.000 1.148 366 Y HN 0.222 nan 8.280 nan 0.000 0.525 367 Q N 1.101 120.948 119.800 0.079 0.000 2.394 367 Q HA 0.486 4.735 4.340 -0.152 0.000 0.248 367 Q C -0.311 175.703 176.000 0.023 0.000 0.992 367 Q CA 0.145 55.978 55.803 0.050 0.000 0.888 367 Q CB 1.116 29.866 28.738 0.020 0.000 1.257 367 Q HN 0.272 nan 8.270 nan 0.000 0.462 368 R N 0.525 121.042 120.500 0.028 0.000 2.692 368 R HA 0.206 4.455 4.340 -0.152 0.000 0.269 368 R C -1.375 174.936 176.300 0.019 0.000 1.030 368 R CA -0.480 55.631 56.100 0.017 0.000 0.882 368 R CB 1.450 31.767 30.300 0.027 0.000 1.250 368 R HN 0.724 nan 8.270 nan 0.000 0.465 369 D N -0.330 120.077 120.400 0.012 0.000 3.455 369 D HA -0.123 4.426 4.640 -0.152 0.000 0.216 369 D C -0.079 176.234 176.300 0.021 0.000 1.510 369 D CA 1.857 55.867 54.000 0.017 0.000 1.128 369 D CB -1.090 39.724 40.800 0.022 0.000 0.680 369 D HN 0.966 nan 8.370 nan 0.000 0.828 370 G N -0.913 107.903 108.800 0.027 0.000 2.716 370 G HA2 0.405 4.274 3.960 -0.152 0.000 0.686 370 G HA3 0.405 4.274 3.960 -0.152 0.000 0.686 370 G C 0.135 175.056 174.900 0.035 0.000 1.337 370 G CA 0.404 45.523 45.100 0.033 0.000 0.829 370 G HN 1.532 nan 8.290 nan 0.000 0.599 371 A N 3.078 125.921 122.820 0.039 0.000 2.555 371 A HA 0.535 4.763 4.320 -0.152 0.000 0.233 371 A C 1.589 179.203 177.584 0.050 0.000 1.060 371 A CA 1.456 53.518 52.037 0.041 0.000 0.759 371 A CB -0.147 18.877 19.000 0.039 0.000 0.995 371 A HN 2.174 nan 8.150 nan 0.000 0.506 372 M N 1.035 120.670 119.600 0.058 0.000 2.303 372 M HA -0.118 4.271 4.480 -0.152 0.000 0.189 372 M C -2.058 174.304 176.300 0.104 0.000 0.688 372 M CA 0.546 55.896 55.300 0.084 0.000 0.479 372 M CB -2.134 30.513 32.600 0.078 0.000 1.094 372 M HN 0.571 nan 8.290 nan 0.000 0.907 373 P HA 0.107 nan 4.420 nan 0.000 0.220 373 P C 0.898 178.248 177.300 0.084 0.000 1.806 373 P CA -0.202 62.937 63.100 0.064 0.000 0.976 373 P CB -0.462 31.253 31.700 0.025 0.000 1.952 374 F N 2.322 122.260 119.950 -0.021 0.000 2.126 374 F HA -0.132 4.304 4.527 -0.152 0.000 0.299 374 F C 1.421 177.199 175.800 -0.035 0.000 1.096 374 F CA 1.556 59.541 58.000 -0.024 0.000 1.255 374 F CB 0.197 39.184 39.000 -0.022 0.000 0.997 374 F HN -0.045 nan 8.300 nan 0.000 0.479 375 K N 0.787 121.262 120.400 0.125 0.000 2.814 375 K HA 0.065 4.294 4.320 -0.152 0.000 0.213 375 K C -0.078 176.501 176.600 -0.036 0.000 1.113 375 K CA -0.335 55.965 56.287 0.023 0.000 1.145 375 K CB 0.244 32.788 32.500 0.074 0.000 0.948 375 K HN 0.182 nan 8.250 nan 0.000 0.464 376 Q N 2.230 121.998 119.800 -0.053 0.000 2.269 376 Q HA -0.107 4.142 4.340 -0.152 0.000 0.300 376 Q C -0.638 175.318 176.000 -0.074 0.000 1.070 376 Q CA 0.919 56.688 55.803 -0.056 0.000 0.957 376 Q CB 0.416 29.120 28.738 -0.055 0.000 1.131 376 Q HN 0.169 nan 8.270 nan 0.000 0.377 377 Q N 2.352 122.107 119.800 -0.074 0.000 2.296 377 Q HA 0.107 4.356 4.340 -0.152 0.000 0.262 377 Q C 0.810 176.758 176.000 -0.086 0.000 0.981 377 Q CA 0.490 56.236 55.803 -0.094 0.000 0.905 377 Q CB 0.912 29.578 28.738 -0.120 0.000 1.186 377 Q HN 0.893 nan 8.270 nan 0.000 0.399 378 T N -2.112 112.387 114.554 -0.091 0.000 3.054 378 T HA -0.024 4.234 4.350 -0.152 0.000 0.259 378 T C 1.160 175.812 174.700 -0.080 0.000 1.092 378 T CA -0.025 62.028 62.100 -0.079 0.000 1.121 378 T CB 0.268 69.088 68.868 -0.080 0.000 0.912 378 T HN 0.405 nan 8.240 nan 0.000 0.489 379 S N 2.390 118.030 115.700 -0.101 0.000 2.575 379 S HA 0.086 4.465 4.470 -0.152 0.000 0.295 379 S C 1.639 176.187 174.600 -0.087 0.000 1.267 379 S CA 0.133 58.264 58.200 -0.114 0.000 1.074 379 S CB 0.310 63.419 63.200 -0.152 0.000 0.829 379 S HN 0.619 nan 8.310 nan 0.000 0.497 380 S N 3.783 119.434 115.700 -0.081 0.000 2.507 380 S HA -0.033 4.345 4.470 -0.152 0.000 0.235 380 S C 0.551 175.150 174.600 -0.001 0.000 0.988 380 S CA 0.358 58.539 58.200 -0.031 0.000 0.944 380 S CB -0.430 62.754 63.200 -0.026 0.000 0.762 380 S HN 0.572 nan 8.310 nan 0.000 0.526 381 V N 4.512 124.372 119.914 -0.089 0.000 2.287 381 V HA 0.209 4.238 4.120 -0.152 0.000 0.246 381 V C 0.492 176.602 176.094 0.027 0.000 1.165 381 V CA -0.265 61.957 62.300 -0.131 0.000 1.088 381 V CB -0.631 31.022 31.823 -0.283 0.000 1.242 381 V HN 0.668 nan 8.190 nan 0.000 0.497 382 N N 3.024 121.809 118.700 0.143 0.000 2.273 382 N HA 0.126 4.775 4.740 -0.152 0.000 0.231 382 N C -0.474 175.248 175.510 0.352 0.000 1.134 382 N CA -0.437 52.790 53.050 0.294 0.000 0.856 382 N CB 0.088 38.689 38.487 0.190 0.000 1.068 382 N HN 0.648 nan 8.380 nan 0.000 0.510 383 Y N -2.765 117.602 120.300 0.112 0.000 2.534 383 Y HA 0.791 5.249 4.550 -0.152 0.000 0.345 383 Y C -0.913 174.628 175.900 -0.598 0.000 1.031 383 Y CA -1.258 56.726 58.100 -0.194 0.000 1.022 383 Y CB 1.537 39.956 38.460 -0.067 0.000 1.292 383 Y HN -0.127 nan 8.280 nan 0.000 0.459 384 E N 3.783 123.679 120.200 -0.505 0.000 2.290 384 E HA 0.415 4.674 4.350 -0.152 0.000 0.274 384 E C -2.823 173.678 176.600 -0.165 0.000 0.889 384 E CA -1.877 54.204 56.400 -0.531 0.000 0.760 384 E CB 2.376 31.548 29.700 -0.879 0.000 1.206 384 E HN 0.818 nan 8.360 nan 0.000 0.419 385 P HA 0.332 nan 4.420 nan 0.000 0.274 385 P C -0.950 176.366 177.300 0.027 0.000 1.237 385 P CA -0.310 62.758 63.100 -0.054 0.000 0.793 385 P CB 0.806 32.498 31.700 -0.013 0.000 0.977 386 N N -1.203 117.485 118.700 -0.020 0.000 2.610 386 N HA 0.290 4.939 4.740 -0.152 0.000 0.264 386 N C 0.323 175.802 175.510 -0.051 0.000 1.348 386 N CA -1.184 51.880 53.050 0.023 0.000 0.819 386 N CB 1.180 39.561 38.487 -0.177 0.000 1.521 386 N HN 0.359 nan 8.380 nan 0.000 0.497 387 R N -1.018 119.344 120.500 -0.229 0.000 2.323 387 R HA 0.134 4.383 4.340 -0.152 0.000 0.198 387 R C -0.673 175.348 176.300 -0.466 0.000 0.988 387 R CA 0.297 56.161 56.100 -0.392 0.000 1.041 387 R CB -0.569 29.430 30.300 -0.502 0.000 0.926 387 R HN 0.526 nan 8.270 nan 0.000 0.476 388 Y N 1.463 121.759 120.300 -0.007 0.000 2.342 388 Y HA 0.242 4.701 4.550 -0.152 0.000 0.338 388 Y C 1.060 176.959 175.900 -0.001 0.000 0.965 388 Y CA -0.939 57.158 58.100 -0.006 0.000 1.159 388 Y CB 1.637 40.087 38.460 -0.018 0.000 1.157 388 Y HN -0.070 nan 8.280 nan 0.000 0.486 389 Q N 1.187 121.054 119.800 0.111 0.000 2.181 389 Q HA -0.176 4.072 4.340 -0.152 0.000 0.205 389 Q C 0.359 176.401 176.000 0.070 0.000 0.980 389 Q CA 1.503 57.347 55.803 0.068 0.000 0.862 389 Q CB 0.167 28.931 28.738 0.044 0.000 0.905 389 Q HN 0.793 nan 8.270 nan 0.000 0.429 390 D N -0.083 120.368 120.400 0.084 0.000 2.349 390 D HA 0.048 4.597 4.640 -0.152 0.000 0.214 390 D C 0.137 176.451 176.300 0.023 0.000 1.063 390 D CA 0.257 54.283 54.000 0.042 0.000 0.847 390 D CB 0.378 41.193 40.800 0.026 0.000 0.933 390 D HN 0.120 nan 8.370 nan 0.000 0.513 391 E N 1.187 121.423 120.200 0.060 0.000 2.342 391 E HA 0.272 4.531 4.350 -0.152 0.000 0.257 391 E C -2.236 174.393 176.600 0.048 0.000 1.150 391 E CA -2.085 54.334 56.400 0.031 0.000 0.926 391 E CB -0.081 29.678 29.700 0.099 0.000 1.074 391 E HN -0.062 nan 8.360 nan 0.000 0.449 392 P HA 0.020 nan 4.420 nan 0.000 0.265 392 P C -0.441 176.951 177.300 0.152 0.000 1.193 392 P CA 0.540 63.639 63.100 -0.002 0.000 0.765 392 P CB 0.491 32.086 31.700 -0.175 0.000 0.823 393 K N 2.110 122.566 120.400 0.093 0.000 2.385 393 K HA 0.249 4.478 4.320 -0.152 0.000 0.248 393 K C 0.081 176.726 176.600 0.075 0.000 0.955 393 K CA -0.849 55.495 56.287 0.096 0.000 0.816 393 K CB 1.984 34.524 32.500 0.067 0.000 1.250 393 K HN 0.525 nan 8.250 nan 0.000 0.434 394 Q N 0.033 119.877 119.800 0.073 0.000 2.421 394 Q HA 0.238 4.487 4.340 -0.152 0.000 0.255 394 Q C -0.815 175.228 176.000 0.073 0.000 1.013 394 Q CA 0.200 56.042 55.803 0.066 0.000 0.895 394 Q CB 0.151 28.924 28.738 0.059 0.000 1.271 394 Q HN 0.341 nan 8.270 nan 0.000 0.460 395 T N 3.358 117.973 114.554 0.102 0.000 3.060 395 T HA 0.228 4.487 4.350 -0.152 0.000 0.367 395 T C -2.167 172.638 174.700 0.175 0.000 1.229 395 T CA -1.334 60.860 62.100 0.157 0.000 1.104 395 T CB 1.281 70.300 68.868 0.252 0.000 1.083 395 T HN 0.495 nan 8.240 nan 0.000 0.524 396 P HA -0.197 nan 4.420 nan 0.000 0.217 396 P C 1.550 178.868 177.300 0.030 0.000 1.148 396 P CA 0.935 64.070 63.100 0.058 0.000 0.828 396 P CB 0.172 31.890 31.700 0.029 0.000 0.783 397 E N -1.336 118.854 120.200 -0.017 0.000 2.463 397 E HA -0.201 4.058 4.350 -0.152 0.000 0.201 397 E C 0.775 177.227 176.600 -0.247 0.000 1.045 397 E CA 0.893 57.206 56.400 -0.146 0.000 0.872 397 E CB -0.775 28.790 29.700 -0.224 0.000 0.797 397 E HN 0.355 nan 8.360 nan 0.000 0.538 398 Y N 1.396 121.689 120.300 -0.011 0.000 2.457 398 Y HA 0.132 4.591 4.550 -0.153 0.000 0.263 398 Y C 0.569 176.464 175.900 -0.008 0.000 1.164 398 Y CA 0.009 58.102 58.100 -0.012 0.000 1.274 398 Y CB 0.728 39.185 38.460 -0.005 0.000 1.097 398 Y HN -0.121 nan 8.280 nan 0.000 0.523 399 T N 2.162 116.773 114.554 0.095 0.000 2.829 399 T HA 0.010 4.268 4.350 -0.152 0.000 0.293 399 T C -0.005 174.718 174.700 0.039 0.000 0.970 399 T CA -0.318 61.819 62.100 0.061 0.000 1.168 399 T CB 0.051 68.940 68.868 0.035 0.000 0.911 399 T HN 0.187 nan 8.240 nan 0.000 0.535 400 E N 3.388 123.615 120.200 0.044 0.000 2.585 400 E HA 0.121 4.379 4.350 -0.152 0.000 0.252 400 E C 0.279 176.887 176.600 0.014 0.000 0.981 400 E CA -0.095 56.322 56.400 0.029 0.000 0.943 400 E CB 0.059 29.779 29.700 0.033 0.000 0.923 400 E HN 0.636 nan 8.360 nan 0.000 0.486 401 D N 1.048 121.450 120.400 0.003 0.000 2.371 401 D HA 0.096 4.645 4.640 -0.152 0.000 0.242 401 D C -0.016 176.283 176.300 -0.003 0.000 1.218 401 D CA -0.714 53.284 54.000 -0.003 0.000 0.945 401 D CB 0.219 41.013 40.800 -0.011 0.000 1.137 401 D HN 0.383 nan 8.370 nan 0.000 0.464 402 T N -1.511 113.038 114.554 -0.007 0.000 2.906 402 T HA 0.200 4.459 4.350 -0.152 0.000 0.320 402 T C -0.050 174.639 174.700 -0.017 0.000 1.088 402 T CA -0.589 61.504 62.100 -0.012 0.000 1.120 402 T CB 0.538 69.397 68.868 -0.014 0.000 1.000 402 T HN 0.351 nan 8.240 nan 0.000 0.550 403 Q N 1.549 121.334 119.800 -0.025 0.000 2.372 403 Q HA 0.460 4.709 4.340 -0.152 0.000 0.273 403 Q C -2.387 173.575 176.000 -0.064 0.000 1.078 403 Q CA -1.888 53.895 55.803 -0.033 0.000 0.806 403 Q CB 1.862 30.587 28.738 -0.020 0.000 1.332 403 Q HN 0.712 nan 8.270 nan 0.000 0.435 404 P HA 0.168 nan 4.420 nan 0.000 0.267 404 P C -0.700 176.417 177.300 -0.305 0.000 1.200 404 P CA -0.056 62.909 63.100 -0.226 0.000 0.772 404 P CB 0.764 32.292 31.700 -0.286 0.000 0.855 405 L N 3.054 124.088 121.223 -0.314 0.000 2.322 405 L HA 0.262 4.511 4.340 -0.152 0.000 0.281 405 L C 1.123 177.800 176.870 -0.322 0.000 1.014 405 L CA -0.653 54.042 54.840 -0.241 0.000 0.815 405 L CB 1.330 43.334 42.059 -0.092 0.000 1.247 405 L HN 0.503 nan 8.230 nan 0.000 0.421 406 H N 0.697 119.788 119.070 0.035 0.000 2.528 406 H HA 0.325 4.789 4.556 -0.153 0.000 0.282 406 H C -0.830 174.514 175.328 0.026 0.000 1.097 406 H CA -0.166 55.900 56.048 0.030 0.000 1.121 406 H CB 0.776 30.559 29.762 0.035 0.000 1.590 406 H HN 0.489 nan 8.280 nan 0.000 0.553 407 D N 0.654 121.114 120.400 0.101 0.000 2.559 407 D HA 0.069 4.618 4.640 -0.152 0.000 0.250 407 D C -0.043 176.286 176.300 0.047 0.000 1.135 407 D CA -0.421 53.623 54.000 0.074 0.000 0.955 407 D CB 2.164 43.006 40.800 0.070 0.000 1.442 407 D HN 0.143 nan 8.370 nan 0.000 0.471 408 D N 0.399 120.819 120.400 0.034 0.000 2.501 408 D HA 0.164 4.713 4.640 -0.152 0.000 0.224 408 D C 0.451 176.752 176.300 0.002 0.000 1.202 408 D CA -0.099 53.913 54.000 0.020 0.000 0.829 408 D CB -0.206 40.603 40.800 0.015 0.000 1.023 408 D HN 0.466 nan 8.370 nan 0.000 0.499 409 I N -2.096 118.475 120.570 0.003 0.000 2.802 409 I HA 0.637 4.716 4.170 -0.152 0.000 0.298 409 I C -1.251 174.868 176.117 0.004 0.000 1.176 409 I CA -1.406 59.866 61.300 -0.047 0.000 1.025 409 I CB 2.001 39.964 38.000 -0.062 0.000 1.243 409 I HN -0.160 nan 8.210 nan 0.000 0.424 410 H N 2.353 121.426 119.070 0.005 0.000 2.567 410 H HA 1.013 5.476 4.556 -0.154 0.000 0.345 410 H C -0.061 175.268 175.328 0.003 0.000 1.169 410 H CA -0.352 55.697 56.048 0.003 0.000 1.227 410 H CB 1.869 31.630 29.762 -0.001 0.000 1.607 410 H HN 1.165 nan 8.280 nan 0.000 0.534 411 G N 0.250 109.139 108.800 0.148 0.000 2.341 411 G HA2 0.142 4.011 3.960 -0.152 0.000 0.293 411 G HA3 0.142 4.011 3.960 -0.152 0.000 0.293 411 G C -1.410 173.527 174.900 0.062 0.000 1.298 411 G CA -1.405 43.745 45.100 0.083 0.000 0.868 411 G HN 0.662 nan 8.290 nan 0.000 0.540 412 R N 0.328 120.853 120.500 0.042 0.000 2.429 412 R HA 0.382 4.631 4.340 -0.152 0.000 0.302 412 R C -0.752 175.564 176.300 0.027 0.000 1.268 412 R CA 0.086 56.206 56.100 0.033 0.000 1.090 412 R CB -0.272 30.045 30.300 0.028 0.000 1.102 412 R HN 0.294 nan 8.270 nan 0.000 0.522 413 L N 2.021 123.262 121.223 0.029 0.000 2.471 413 L HA 0.278 4.527 4.340 -0.152 0.000 0.263 413 L C 0.106 176.992 176.870 0.026 0.000 0.985 413 L CA -0.513 54.342 54.840 0.026 0.000 0.868 413 L CB 1.885 43.960 42.059 0.027 0.000 1.203 413 L HN 0.461 nan 8.230 nan 0.000 0.429 414 E N 3.554 123.769 120.200 0.025 0.000 2.452 414 E HA 0.118 4.377 4.350 -0.152 0.000 0.261 414 E C 0.084 176.699 176.600 0.024 0.000 0.987 414 E CA -0.427 55.988 56.400 0.025 0.000 0.926 414 E CB 0.884 30.598 29.700 0.023 0.000 0.934 414 E HN 0.539 nan 8.360 nan 0.000 0.452 415 I N 1.572 122.157 120.570 0.025 0.000 2.872 415 I HA -0.058 4.021 4.170 -0.152 0.000 0.291 415 I C 1.132 177.263 176.117 0.023 0.000 1.216 415 I CA -0.495 60.819 61.300 0.024 0.000 1.424 415 I CB 0.643 38.658 38.000 0.025 0.000 1.351 415 I HN 0.535 nan 8.210 nan 0.000 0.592 416 E N 4.619 124.832 120.200 0.021 0.000 2.001 416 E HA -0.131 4.127 4.350 -0.152 0.000 0.195 416 E C 0.509 177.126 176.600 0.029 0.000 1.002 416 E CA 1.650 58.063 56.400 0.022 0.000 0.819 416 E CB -0.171 29.539 29.700 0.016 0.000 0.769 416 E HN 0.649 nan 8.360 nan 0.000 0.454 417 K N 2.368 122.787 120.400 0.032 0.000 2.155 417 K HA 0.069 4.298 4.320 -0.152 0.000 0.240 417 K C 1.294 177.930 176.600 0.060 0.000 1.193 417 K CA 0.123 56.439 56.287 0.049 0.000 1.104 417 K CB 0.001 32.533 32.500 0.052 0.000 1.558 417 K HN 0.207 nan 8.250 nan 0.000 0.313 418 T N -1.365 113.215 114.554 0.043 0.000 2.643 418 T HA -0.243 4.015 4.350 -0.152 0.000 0.264 418 T C 1.081 175.794 174.700 0.022 0.000 1.045 418 T CA 0.871 62.985 62.100 0.023 0.000 1.155 418 T CB -0.367 68.500 68.868 -0.002 0.000 0.863 418 T HN 0.599 nan 8.240 nan 0.000 0.420 419 N N 1.866 120.588 118.700 0.037 0.000 2.696 419 N HA -0.163 4.486 4.740 -0.152 0.000 0.256 419 N C -0.041 175.448 175.510 -0.035 0.000 1.031 419 N CA 0.623 53.708 53.050 0.059 0.000 0.730 419 N CB -1.859 36.704 38.487 0.127 0.000 0.894 419 N HN 0.485 nan 8.380 nan 0.000 0.544 420 N N -0.274 118.307 118.700 -0.198 0.000 2.381 420 N HA -0.009 4.640 4.740 -0.152 0.000 0.182 420 N C 0.830 175.945 175.510 -0.658 0.000 1.025 420 N CA 1.267 54.000 53.050 -0.528 0.000 0.888 420 N CB -0.126 37.839 38.487 -0.870 0.000 0.965 420 N HN 0.565 nan 8.380 nan 0.000 0.438 421 F N -1.252 118.735 119.950 0.061 0.000 2.747 421 F HA 0.378 4.821 4.527 -0.140 0.000 0.305 421 F C 2.247 178.098 175.800 0.084 0.000 1.065 421 F CA -0.209 57.829 58.000 0.065 0.000 1.230 421 F CB -0.666 38.365 39.000 0.052 0.000 1.027 421 F HN -0.110 nan 8.300 nan 0.000 0.607 422 G N 0.114 109.054 108.800 0.234 0.000 2.587 422 G HA2 -0.286 3.582 3.960 -0.152 0.000 0.217 422 G HA3 -0.286 3.582 3.960 -0.152 0.000 0.217 422 G C 1.533 176.544 174.900 0.184 0.000 1.240 422 G CA 0.968 46.185 45.100 0.195 0.000 0.794 422 G HN 0.325 nan 8.290 nan 0.000 0.580 423 Q N -0.006 119.886 119.800 0.154 0.000 2.224 423 Q HA 0.020 4.268 4.340 -0.152 0.000 0.203 423 Q C 2.925 179.043 176.000 0.197 0.000 0.970 423 Q CA 0.982 56.880 55.803 0.157 0.000 0.865 423 Q CB -0.226 28.509 28.738 -0.004 0.000 0.922 423 Q HN 0.460 nan 8.270 nan 0.000 0.445 424 A N 0.203 123.128 122.820 0.176 0.000 1.940 424 A HA -0.148 4.081 4.320 -0.152 0.000 0.219 424 A C 2.128 179.856 177.584 0.239 0.000 1.176 424 A CA 1.733 53.898 52.037 0.213 0.000 0.631 424 A CB -0.995 18.134 19.000 0.216 0.000 0.814 424 A HN 0.542 nan 8.150 nan 0.000 0.446 425 G N -0.733 108.203 108.800 0.226 0.000 2.394 425 G HA2 -0.161 3.708 3.960 -0.152 0.000 0.214 425 G HA3 -0.161 3.708 3.960 -0.152 0.000 0.214 425 G C 1.374 176.397 174.900 0.204 0.000 1.176 425 G CA 0.841 46.071 45.100 0.216 0.000 0.786 425 G HN 0.612 nan 8.290 nan 0.000 0.533 426 E N -0.092 120.216 120.200 0.180 0.000 2.086 426 E HA -0.195 4.064 4.350 -0.152 0.000 0.205 426 E C 2.702 179.359 176.600 0.095 0.000 1.027 426 E CA 1.545 58.028 56.400 0.137 0.000 0.830 426 E CB -0.320 29.521 29.700 0.235 0.000 0.751 426 E HN 0.258 nan 8.360 nan 0.000 0.456 427 V N 0.483 120.516 119.914 0.197 0.000 2.255 427 V HA -0.302 3.727 4.120 -0.152 0.000 0.247 427 V C 2.075 178.205 176.094 0.059 0.000 1.051 427 V CA 2.247 64.629 62.300 0.137 0.000 1.018 427 V CB -0.609 31.297 31.823 0.140 0.000 0.641 427 V HN 0.370 nan 8.190 nan 0.000 0.445 428 Y N 1.077 121.381 120.300 0.005 0.000 2.207 428 Y HA -0.260 4.201 4.550 -0.149 0.000 0.287 428 Y C 2.624 178.509 175.900 -0.024 0.000 1.156 428 Y CA 1.833 59.927 58.100 -0.009 0.000 1.182 428 Y CB -0.074 38.401 38.460 0.025 0.000 0.979 428 Y HN 0.126 nan 8.280 nan 0.000 0.521 429 R N -0.245 120.210 120.500 -0.074 0.000 2.276 429 R HA 0.012 4.261 4.340 -0.152 0.000 0.203 429 R C 1.983 178.175 176.300 -0.180 0.000 1.017 429 R CA 0.628 56.628 56.100 -0.166 0.000 1.010 429 R CB -0.078 30.200 30.300 -0.036 0.000 0.900 429 R HN 0.339 nan 8.270 nan 0.000 0.469 430 R N -0.110 120.290 120.500 -0.166 0.000 2.275 430 R HA 0.122 4.371 4.340 -0.152 0.000 0.199 430 R C 0.561 176.765 176.300 -0.160 0.000 0.989 430 R CA 0.300 56.294 56.100 -0.176 0.000 1.016 430 R CB 0.107 30.279 30.300 -0.213 0.000 0.918 430 R HN 0.104 nan 8.270 nan 0.000 0.473 431 M N 0.728 120.211 119.600 -0.195 0.000 2.226 431 M HA 0.035 4.423 4.480 -0.152 0.000 0.324 431 M C 0.845 177.042 176.300 -0.172 0.000 1.112 431 M CA 0.103 55.297 55.300 -0.177 0.000 1.176 431 M CB 0.990 33.458 32.600 -0.221 0.000 1.430 431 M HN 0.070 nan 8.290 nan 0.000 0.462 432 T N -2.396 112.087 114.554 -0.119 0.000 2.754 432 T HA 0.090 4.349 4.350 -0.152 0.000 0.286 432 T C 0.883 175.519 174.700 -0.108 0.000 0.997 432 T CA -0.642 61.399 62.100 -0.098 0.000 0.982 432 T CB 0.843 69.674 68.868 -0.062 0.000 1.027 432 T HN 0.805 nan 8.240 nan 0.000 0.529 433 E N 0.128 120.279 120.200 -0.081 0.000 2.110 433 E HA -0.196 4.063 4.350 -0.152 0.000 0.193 433 E C 1.845 178.422 176.600 -0.040 0.000 0.988 433 E CA 1.260 57.620 56.400 -0.065 0.000 0.804 433 E CB -0.060 29.614 29.700 -0.044 0.000 0.745 433 E HN 0.766 nan 8.360 nan 0.000 0.458 434 E N 0.783 120.966 120.200 -0.030 0.000 2.049 434 E HA -0.220 4.038 4.350 -0.152 0.000 0.198 434 E C 1.955 178.554 176.600 -0.002 0.000 1.007 434 E CA 1.804 58.198 56.400 -0.010 0.000 0.809 434 E CB -0.070 29.626 29.700 -0.007 0.000 0.749 434 E HN 0.322 nan 8.360 nan 0.000 0.450 435 E N 0.344 120.535 120.200 -0.016 0.000 2.077 435 E HA -0.223 4.036 4.350 -0.152 0.000 0.193 435 E C 2.214 178.822 176.600 0.015 0.000 0.989 435 E CA 1.129 57.528 56.400 -0.002 0.000 0.800 435 E CB -0.099 29.587 29.700 -0.024 0.000 0.746 435 E HN 0.319 nan 8.360 nan 0.000 0.452 436 Q N -0.058 119.724 119.800 -0.031 0.000 2.170 436 Q HA -0.130 4.118 4.340 -0.152 0.000 0.203 436 Q C 2.114 178.169 176.000 0.091 0.000 0.976 436 Q CA 1.102 56.922 55.803 0.028 0.000 0.858 436 Q CB -0.066 28.592 28.738 -0.134 0.000 0.907 436 Q HN 0.332 nan 8.270 nan 0.000 0.433 437 M N -0.245 119.381 119.600 0.043 0.000 2.156 437 M HA -0.128 4.260 4.480 -0.152 0.000 0.264 437 M C 2.246 178.577 176.300 0.051 0.000 1.067 437 M CA 1.432 56.758 55.300 0.043 0.000 1.131 437 M CB -0.112 32.503 32.600 0.025 0.000 1.368 437 M HN 0.255 nan 8.290 nan 0.000 0.416 438 A N 0.046 122.900 122.820 0.057 0.000 1.898 438 A HA -0.157 4.072 4.320 -0.152 0.000 0.216 438 A C 2.010 179.655 177.584 0.101 0.000 1.181 438 A CA 1.268 53.349 52.037 0.074 0.000 0.620 438 A CB -0.895 18.148 19.000 0.072 0.000 0.819 438 A HN 0.453 nan 8.150 nan 0.000 0.442 439 L N -0.584 120.705 121.223 0.110 0.000 2.013 439 L HA -0.189 4.060 4.340 -0.152 0.000 0.212 439 L C 2.274 179.171 176.870 0.044 0.000 1.073 439 L CA 2.305 57.218 54.840 0.121 0.000 0.753 439 L CB -0.666 41.477 42.059 0.141 0.000 0.890 439 L HN 0.357 nan 8.230 nan 0.000 0.432 440 L N -0.139 121.100 121.223 0.027 0.000 2.012 440 L HA -0.242 4.007 4.340 -0.152 0.000 0.210 440 L C 2.358 179.214 176.870 -0.023 0.000 1.073 440 L CA 1.920 56.743 54.840 -0.029 0.000 0.748 440 L CB -1.083 40.975 42.059 -0.000 0.000 0.891 440 L HN 0.450 nan 8.230 nan 0.000 0.431 441 N N -0.475 118.238 118.700 0.021 0.000 2.084 441 N HA -0.189 4.460 4.740 -0.152 0.000 0.190 441 N C 1.490 177.032 175.510 0.054 0.000 1.030 441 N CA 1.519 54.589 53.050 0.033 0.000 0.849 441 N CB -0.078 38.439 38.487 0.050 0.000 1.012 441 N HN 0.468 nan 8.380 nan 0.000 0.423 442 N N 1.365 120.131 118.700 0.109 0.000 2.106 442 N HA -0.062 4.586 4.740 -0.152 0.000 0.188 442 N C 2.063 177.623 175.510 0.082 0.000 1.029 442 N CA 0.477 53.656 53.050 0.216 0.000 0.848 442 N CB -0.629 38.103 38.487 0.409 0.000 1.007 442 N HN 0.238 nan 8.380 nan 0.000 0.423 443 L N 0.621 121.775 121.223 -0.116 0.000 1.971 443 L HA -0.191 4.058 4.340 -0.152 0.000 0.215 443 L C 2.322 179.046 176.870 -0.242 0.000 1.072 443 L CA 1.137 55.752 54.840 -0.374 0.000 0.758 443 L CB -0.733 41.096 42.059 -0.384 0.000 0.889 443 L HN -0.024 nan 8.230 nan 0.000 0.433 444 V N 0.131 119.956 119.914 -0.149 0.000 2.252 444 V HA -0.367 3.661 4.120 -0.152 0.000 0.249 444 V C 2.343 178.394 176.094 -0.071 0.000 1.056 444 V CA 2.327 64.559 62.300 -0.114 0.000 1.022 444 V CB -0.856 30.924 31.823 -0.070 0.000 0.641 444 V HN 0.598 nan 8.190 nan 0.000 0.445 445 N N -0.225 118.468 118.700 -0.011 0.000 2.149 445 N HA -0.246 4.402 4.740 -0.152 0.000 0.188 445 N C 1.631 177.183 175.510 0.070 0.000 1.019 445 N CA 2.020 55.094 53.050 0.041 0.000 0.857 445 N CB -0.067 38.474 38.487 0.089 0.000 0.997 445 N HN 0.536 nan 8.380 nan 0.000 0.426 446 D N 0.340 120.791 120.400 0.086 0.000 2.123 446 D HA 0.017 4.566 4.640 -0.152 0.000 0.200 446 D C 2.062 178.371 176.300 0.016 0.000 0.976 446 D CA 0.574 54.689 54.000 0.192 0.000 0.831 446 D CB -0.014 41.005 40.800 0.365 0.000 0.974 446 D HN 0.226 nan 8.370 nan 0.000 0.469 447 L N 0.203 121.299 121.223 -0.211 0.000 2.376 447 L HA -0.057 4.192 4.340 -0.152 0.000 0.219 447 L C 2.093 178.842 176.870 -0.203 0.000 1.133 447 L CA 0.608 55.216 54.840 -0.387 0.000 0.816 447 L CB -0.193 41.568 42.059 -0.497 0.000 0.933 447 L HN 0.071 nan 8.230 nan 0.000 0.449 448 Q N -0.463 119.273 119.800 -0.107 0.000 2.369 448 Q HA -0.170 4.079 4.340 -0.152 0.000 0.206 448 Q C 1.673 177.653 176.000 -0.034 0.000 0.963 448 Q CA 0.847 56.613 55.803 -0.062 0.000 0.894 448 Q CB 0.126 28.843 28.738 -0.033 0.000 0.965 448 Q HN 0.577 nan 8.270 nan 0.000 0.475 449 Q N -0.401 119.391 119.800 -0.013 0.000 2.360 449 Q HA 0.089 4.338 4.340 -0.152 0.000 0.202 449 Q C -0.273 175.731 176.000 0.006 0.000 0.915 449 Q CA -0.164 55.650 55.803 0.018 0.000 0.943 449 Q CB 0.942 29.722 28.738 0.070 0.000 1.064 449 Q HN 0.076 nan 8.270 nan 0.000 0.511 450 V N 1.407 121.302 119.914 -0.032 0.000 2.614 450 V HA 0.080 4.109 4.120 -0.152 0.000 0.291 450 V C 0.951 177.040 176.094 -0.009 0.000 1.049 450 V CA 0.298 62.589 62.300 -0.015 0.000 1.038 450 V CB 1.244 33.017 31.823 -0.083 0.000 0.980 450 V HN 0.258 nan 8.190 nan 0.000 0.481 451 R N 1.466 121.984 120.500 0.030 0.000 2.397 451 R HA 0.238 4.487 4.340 -0.152 0.000 0.241 451 R C -0.460 175.735 176.300 -0.174 0.000 0.914 451 R CA -0.080 55.983 56.100 -0.062 0.000 1.071 451 R CB 0.235 30.486 30.300 -0.082 0.000 1.116 451 R HN 0.751 nan 8.270 nan 0.000 0.524 452 H N -0.197 118.860 119.070 -0.022 0.000 2.505 452 H HA 0.120 4.588 4.556 -0.147 0.000 0.338 452 H C 0.387 175.697 175.328 -0.028 0.000 1.057 452 H CA -0.482 55.556 56.048 -0.016 0.000 1.202 452 H CB 2.068 31.830 29.762 0.000 0.000 1.466 452 H HN -0.032 nan 8.280 nan 0.000 0.499 453 E N 2.554 122.787 120.200 0.054 0.000 2.023 453 E HA -0.235 4.024 4.350 -0.152 0.000 0.196 453 E C 1.028 177.637 176.600 0.015 0.000 1.003 453 E CA 1.308 57.713 56.400 0.008 0.000 0.809 453 E CB 0.161 29.853 29.700 -0.013 0.000 0.755 453 E HN 0.604 nan 8.360 nan 0.000 0.449 454 N N -0.333 118.389 118.700 0.037 0.000 2.453 454 N HA -0.089 4.559 4.740 -0.152 0.000 0.183 454 N C 1.575 177.103 175.510 0.029 0.000 1.041 454 N CA 1.098 54.162 53.050 0.023 0.000 0.900 454 N CB -0.023 38.479 38.487 0.025 0.000 0.961 454 N HN 0.191 nan 8.380 nan 0.000 0.443 455 T N 0.890 115.471 114.554 0.046 0.000 2.770 455 T HA -0.022 4.236 4.350 -0.152 0.000 0.263 455 T C 2.288 176.989 174.700 0.001 0.000 1.039 455 T CA 0.613 62.742 62.100 0.050 0.000 1.142 455 T CB -0.097 68.819 68.868 0.081 0.000 0.868 455 T HN -0.063 nan 8.240 nan 0.000 0.435 456 V N 1.674 121.561 119.914 -0.046 0.000 2.255 456 V HA -0.168 3.861 4.120 -0.152 0.000 0.247 456 V C 2.474 178.520 176.094 -0.079 0.000 1.051 456 V CA 1.556 63.784 62.300 -0.120 0.000 1.018 456 V CB -0.776 30.975 31.823 -0.120 0.000 0.641 456 V HN 0.364 nan 8.190 nan 0.000 0.445 457 L N -0.902 120.295 121.223 -0.044 0.000 1.990 457 L HA -0.254 3.995 4.340 -0.152 0.000 0.213 457 L C 2.442 179.307 176.870 -0.009 0.000 1.072 457 L CA 1.817 56.640 54.840 -0.029 0.000 0.755 457 L CB -0.332 41.712 42.059 -0.024 0.000 0.889 457 L HN 0.285 nan 8.230 nan 0.000 0.432 458 L N -1.243 119.985 121.223 0.008 0.000 2.042 458 L HA -0.267 3.982 4.340 -0.152 0.000 0.210 458 L C 2.711 179.598 176.870 0.028 0.000 1.076 458 L CA 1.332 56.190 54.840 0.030 0.000 0.749 458 L CB -0.592 41.497 42.059 0.051 0.000 0.893 458 L HN 0.369 nan 8.230 nan 0.000 0.432 459 A N 0.315 123.143 122.820 0.013 0.000 1.877 459 A HA -0.214 4.015 4.320 -0.152 0.000 0.216 459 A C 2.089 179.707 177.584 0.057 0.000 1.186 459 A CA 1.679 53.716 52.037 0.000 0.000 0.620 459 A CB -0.658 18.246 19.000 -0.160 0.000 0.822 459 A HN 0.404 nan 8.150 nan 0.000 0.443 460 I N -0.634 119.973 120.570 0.061 0.000 2.226 460 I HA -0.312 3.767 4.170 -0.152 0.000 0.245 460 I C 2.526 178.720 176.117 0.129 0.000 1.100 460 I CA 1.063 62.436 61.300 0.122 0.000 1.374 460 I CB -0.625 37.398 38.000 0.037 0.000 1.057 460 I HN 0.369 nan 8.210 nan 0.000 0.413 461 C N 0.940 120.269 119.300 0.049 0.000 2.432 461 C HA -0.143 4.226 4.460 -0.152 0.000 0.277 461 C C 2.712 177.692 174.990 -0.017 0.000 1.249 461 C CA 0.911 59.941 59.018 0.021 0.000 1.725 461 C CB -1.406 26.322 27.740 -0.020 0.000 2.028 461 C HN 0.552 nan 8.230 nan 0.000 0.477 462 N N 0.704 119.383 118.700 -0.035 0.000 2.061 462 N HA -0.121 4.527 4.740 -0.152 0.000 0.193 462 N C 1.459 176.959 175.510 -0.016 0.000 1.030 462 N CA 1.587 54.620 53.050 -0.028 0.000 0.856 462 N CB -0.704 37.827 38.487 0.073 0.000 1.023 462 N HN 0.550 nan 8.380 nan 0.000 0.424 463 F N -0.320 119.706 119.950 0.126 0.000 2.186 463 F HA -0.134 4.320 4.527 -0.121 0.000 0.299 463 F C 2.373 178.177 175.800 0.006 0.000 1.090 463 F CA 0.511 58.553 58.000 0.070 0.000 1.307 463 F CB -0.402 38.608 39.000 0.016 0.000 1.019 463 F HN 0.024 nan 8.300 nan 0.000 0.489 464 Y N 1.355 121.702 120.300 0.077 0.000 2.097 464 Y HA -0.270 4.185 4.550 -0.158 0.000 0.282 464 Y C 2.528 178.394 175.900 -0.056 0.000 1.152 464 Y CA 1.642 59.738 58.100 -0.006 0.000 1.136 464 Y CB -0.401 38.042 38.460 -0.029 0.000 0.975 464 Y HN -0.151 nan 8.280 nan 0.000 0.498 465 R N -0.126 120.359 120.500 -0.025 0.000 2.117 465 R HA -0.230 4.019 4.340 -0.152 0.000 0.243 465 R C 2.450 178.690 176.300 -0.101 0.000 1.143 465 R CA 1.244 57.212 56.100 -0.220 0.000 0.968 465 R CB -0.629 29.201 30.300 -0.783 0.000 0.863 465 R HN 0.483 nan 8.270 nan 0.000 0.444 466 A N 0.250 123.091 122.820 0.036 0.000 1.873 466 A HA -0.103 4.126 4.320 -0.152 0.000 0.215 466 A C 0.855 178.467 177.584 0.047 0.000 1.186 466 A CA 1.126 53.257 52.037 0.157 0.000 0.616 466 A CB 0.149 19.311 19.000 0.269 0.000 0.823 466 A HN 0.295 nan 8.150 nan 0.000 0.442 467 D N -2.698 117.665 120.400 -0.061 0.000 2.891 467 D HA 0.474 5.023 4.640 -0.152 0.000 0.224 467 D C 0.562 176.683 176.300 -0.298 0.000 1.321 467 D CA 0.286 54.213 54.000 -0.122 0.000 0.929 467 D CB 1.793 42.567 40.800 -0.042 0.000 1.551 467 D HN 0.076 nan 8.370 nan 0.000 0.574 468 A N 2.910 125.477 122.820 -0.422 0.000 1.902 468 A HA -0.163 4.066 4.320 -0.152 0.000 0.217 468 A C 2.146 179.572 177.584 -0.263 0.000 1.181 468 A CA 2.302 53.911 52.037 -0.713 0.000 0.623 468 A CB -0.475 18.206 19.000 -0.533 0.000 0.818 468 A HN 0.634 nan 8.150 nan 0.000 0.443 469 S N -0.180 115.456 115.700 -0.106 0.000 2.356 469 S HA -0.169 4.210 4.470 -0.152 0.000 0.223 469 S C 1.974 176.567 174.600 -0.012 0.000 1.032 469 S CA 1.533 59.731 58.200 -0.002 0.000 1.005 469 S CB -0.710 62.524 63.200 0.057 0.000 0.867 469 S HN 0.627 nan 8.310 nan 0.000 0.449 470 L N 2.711 123.872 121.223 -0.104 0.000 2.012 470 L HA 0.141 4.390 4.340 -0.152 0.000 0.210 470 L C 2.482 179.281 176.870 -0.118 0.000 1.073 470 L CA 2.247 56.942 54.840 -0.242 0.000 0.748 470 L CB -1.504 40.075 42.059 -0.800 0.000 0.891 470 L HN 0.402 nan 8.230 nan 0.000 0.431 471 G N -0.927 107.850 108.800 -0.038 0.000 2.529 471 G HA2 -0.348 3.520 3.960 -0.152 0.000 0.219 471 G HA3 -0.348 3.520 3.960 -0.152 0.000 0.219 471 G C 1.434 176.452 174.900 0.196 0.000 1.177 471 G CA 1.075 46.284 45.100 0.182 0.000 0.773 471 G HN 0.558 nan 8.290 nan 0.000 0.573 472 E N 0.264 120.580 120.200 0.194 0.000 2.058 472 E HA -0.111 4.148 4.350 -0.152 0.000 0.194 472 E C 2.598 179.230 176.600 0.053 0.000 0.997 472 E CA 1.270 57.748 56.400 0.130 0.000 0.801 472 E CB -0.087 29.687 29.700 0.123 0.000 0.746 472 E HN 0.399 nan 8.360 nan 0.000 0.450 473 K N 0.364 120.780 120.400 0.027 0.000 2.057 473 K HA -0.140 4.089 4.320 -0.152 0.000 0.207 473 K C 2.195 178.783 176.600 -0.020 0.000 1.049 473 K CA 0.964 57.252 56.287 0.003 0.000 0.931 473 K CB -0.141 32.360 32.500 0.002 0.000 0.714 473 K HN 0.096 nan 8.250 nan 0.000 0.440 474 L N 0.514 121.714 121.223 -0.038 0.000 2.056 474 L HA -0.203 4.045 4.340 -0.152 0.000 0.207 474 L C 2.688 179.535 176.870 -0.038 0.000 1.078 474 L CA 1.058 55.862 54.840 -0.060 0.000 0.749 474 L CB -0.415 41.597 42.059 -0.078 0.000 0.901 474 L HN 0.222 nan 8.230 nan 0.000 0.433 475 S N -0.245 115.450 115.700 -0.009 0.000 2.353 475 S HA -0.250 4.128 4.470 -0.152 0.000 0.222 475 S C 1.852 176.440 174.600 -0.021 0.000 1.035 475 S CA 1.729 59.921 58.200 -0.014 0.000 1.025 475 S CB -0.180 63.021 63.200 0.001 0.000 0.902 475 S HN 0.428 nan 8.310 nan 0.000 0.440 476 E N 0.670 120.864 120.200 -0.010 0.000 2.038 476 E HA -0.146 4.113 4.350 -0.152 0.000 0.195 476 E C 2.341 178.928 176.600 -0.020 0.000 1.000 476 E CA 1.261 57.654 56.400 -0.011 0.000 0.803 476 E CB -0.365 29.334 29.700 -0.002 0.000 0.750 476 E HN 0.669 nan 8.360 nan 0.000 0.448 477 A N 0.501 123.306 122.820 -0.026 0.000 2.119 477 A HA -0.086 4.142 4.320 -0.152 0.000 0.217 477 A C 1.936 179.496 177.584 -0.041 0.000 1.153 477 A CA 0.658 52.677 52.037 -0.031 0.000 0.692 477 A CB -0.049 18.930 19.000 -0.035 0.000 0.799 477 A HN 0.085 nan 8.150 nan 0.000 0.458 478 L N -0.065 121.129 121.223 -0.048 0.000 2.127 478 L HA 0.090 4.338 4.340 -0.152 0.000 0.203 478 L C 0.005 176.843 176.870 -0.054 0.000 1.080 478 L CA 1.385 56.189 54.840 -0.061 0.000 0.768 478 L CB -0.893 41.119 42.059 -0.078 0.000 0.924 478 L HN 0.715 nan 8.230 nan 0.000 0.444 479 N N -1.067 117.605 118.700 -0.046 0.000 2.617 479 N HA 0.435 5.084 4.740 -0.152 0.000 0.263 479 N C -1.290 174.195 175.510 -0.042 0.000 1.074 479 N CA -0.424 52.602 53.050 -0.041 0.000 0.841 479 N CB 1.270 39.738 38.487 -0.032 0.000 1.221 479 N HN -0.211 nan 8.380 nan 0.000 0.529 480 V N 0.848 120.735 119.914 -0.046 0.000 2.459 480 V HA 0.373 4.402 4.120 -0.152 0.000 0.295 480 V C 0.043 176.109 176.094 -0.047 0.000 1.029 480 V CA -1.058 61.213 62.300 -0.049 0.000 0.874 480 V CB 1.381 33.170 31.823 -0.055 0.000 0.985 480 V HN 0.763 nan 8.190 nan 0.000 0.438 481 D N 4.738 125.110 120.400 -0.047 0.000 2.399 481 D HA 0.109 4.658 4.640 -0.152 0.000 0.241 481 D C 0.561 176.822 176.300 -0.065 0.000 1.133 481 D CA -0.203 53.768 54.000 -0.049 0.000 0.890 481 D CB 1.937 42.711 40.800 -0.043 0.000 1.201 481 D HN 0.651 nan 8.370 nan 0.000 0.432 482 I N -2.597 117.925 120.570 -0.080 0.000 3.856 482 I HA 0.169 4.247 4.170 -0.152 0.000 0.330 482 I C 1.444 177.490 176.117 -0.118 0.000 1.546 482 I CA -0.921 60.309 61.300 -0.115 0.000 1.132 482 I CB 0.151 38.045 38.000 -0.178 0.000 1.157 482 I HN 0.104 nan 8.210 nan 0.000 0.440 483 K N 2.074 122.427 120.400 -0.078 0.000 2.032 483 K HA -0.036 4.193 4.320 -0.152 0.000 0.209 483 K C -0.390 176.200 176.600 -0.017 0.000 1.048 483 K CA 2.080 58.336 56.287 -0.052 0.000 0.927 483 K CB -1.097 31.382 32.500 -0.035 0.000 0.712 483 K HN 0.475 nan 8.250 nan 0.000 0.441 484 P HA 0.130 nan 4.420 nan 0.000 0.199 484 P C -0.067 177.346 177.300 0.188 0.000 1.059 484 P CA 0.454 63.576 63.100 0.036 0.000 0.723 484 P CB 0.176 31.785 31.700 -0.152 0.000 0.680 485 F N 0.000 119.903 119.950 -0.078 0.000 2.286 485 F HA 0.000 4.433 4.527 -0.156 0.000 0.279 485 F CA 0.000 57.951 58.000 -0.082 0.000 1.383 485 F CB 0.000 38.955 39.000 -0.076 0.000 1.145 485 F HN 0.000 nan 8.300 nan 0.000 0.574