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 2x8h_1_A DATA FIRST_RESID 6 DATA SEQUENCE GTSQWLRKTV DSAAVILFSK TTCPYCKKVK DVLAEAKIKH ATIELDQLSN DATA SEQUENCE GSAIQKCLAS FSKIETVPQM FVRGKFIGDS QTVLKYYSND ELAGIVNESK DATA SEQUENCE YDYDLIVIGG GSGGLAAGKE AAKYGAKTAV LDYVEPTPIG TTWGLGGTCV DATA SEQUENCE NVGCIPKKLM HQAGLLSHAL EDAEHFGWSL DRSKISHNWS TMVEGVQSHI DATA SEQUENCE GSLNWGYKVA LRDNQVTYLN AKGRLISPHE VQITDKNQKV STITGNKIIL DATA SEQUENCE ATGERPKYPE IPGAVEYGIT SDDLFSLPYF PGKTLVIGAS YVALECAGFL DATA SEQUENCE ASLGGDVTVM VRSILLRGFD QQMAEKVGDY MENHGVKFAK LCVPDEIKQL DATA SEQUENCE KVVDTENNKP GLLLVKGHYT DGKKFEEEFE TVIFAVGREP QLSKVLCETV DATA SEQUENCE GVKLDKNGRV VCTDDEQTTV SNVYAIGDIN AGKPQLTPVA IQAGRYLARR DATA SEQUENCE LFAGATELTD YSNVATTVFT PLEYGACGLS EEDAIEKYGD KDIEVYHSNF DATA SEQUENCE KPLEWTVAHR EDNVCYMKLV CRKSDNMRVL GLHVLGPNAG EITQGYAVAI DATA SEQUENCE KMGATKADFD RTIGIHPTCS ETFTTLHVTK KSGVSPIV 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 6 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 6 G C 0.000 174.971 174.900 0.118 0.000 0.946 6 G CA 0.000 45.142 45.100 0.070 0.000 0.502 7 T N 0.603 115.218 114.554 0.101 0.000 2.737 7 T HA -0.105 4.245 4.350 -0.001 0.000 0.265 7 T C 2.569 177.418 174.700 0.248 0.000 1.038 7 T CA 2.047 64.243 62.100 0.160 0.000 1.144 7 T CB -0.124 68.799 68.868 0.092 0.000 0.866 7 T HN 0.308 nan 8.240 nan 0.000 0.434 8 S N 0.581 116.382 115.700 0.167 0.000 2.356 8 S HA -0.188 4.281 4.470 -0.001 0.000 0.223 8 S C 2.220 176.919 174.600 0.165 0.000 1.032 8 S CA 1.691 59.988 58.200 0.161 0.000 1.005 8 S CB -0.389 62.873 63.200 0.104 0.000 0.867 8 S HN 0.548 nan 8.310 nan 0.000 0.449 9 Q N -1.069 118.819 119.800 0.146 0.000 2.084 9 Q HA -0.193 4.146 4.340 -0.001 0.000 0.202 9 Q C 1.956 178.035 176.000 0.132 0.000 0.978 9 Q CA 1.936 57.813 55.803 0.123 0.000 0.844 9 Q CB -0.410 28.393 28.738 0.108 0.000 0.898 9 Q HN 0.815 nan 8.270 nan 0.000 0.426 10 W N 0.770 122.076 121.300 0.010 0.000 2.355 10 W HA -0.251 4.409 4.660 -0.000 0.000 0.309 10 W C 1.778 178.278 176.519 -0.031 0.000 1.206 10 W CA 1.408 58.748 57.345 -0.010 0.000 1.284 10 W CB -0.498 28.956 29.460 -0.011 0.000 1.145 10 W HN 0.283 nan 8.180 nan 0.000 0.502 11 L N 1.534 122.680 121.223 -0.128 0.000 2.056 11 L HA -0.072 4.268 4.340 -0.001 0.000 0.207 11 L C 2.589 179.140 176.870 -0.531 0.000 1.078 11 L CA 1.965 56.492 54.840 -0.523 0.000 0.749 11 L CB -1.009 40.951 42.059 -0.164 0.000 0.901 11 L HN -0.042 nan 8.230 nan 0.000 0.433 12 R N -0.432 119.982 120.500 -0.143 0.000 2.083 12 R HA -0.199 4.140 4.340 -0.001 0.000 0.237 12 R C 2.268 178.482 176.300 -0.144 0.000 1.137 12 R CA 2.005 58.112 56.100 0.012 0.000 0.951 12 R CB -0.324 30.075 30.300 0.165 0.000 0.851 12 R HN 0.368 nan 8.270 nan 0.000 0.434 13 K N -0.537 119.754 120.400 -0.181 0.000 2.057 13 K HA -0.081 4.239 4.320 -0.001 0.000 0.207 13 K C 2.175 178.594 176.600 -0.301 0.000 1.049 13 K CA 1.830 58.004 56.287 -0.188 0.000 0.931 13 K CB -0.139 32.274 32.500 -0.146 0.000 0.714 13 K HN 0.139 nan 8.250 nan 0.000 0.440 14 T N 0.976 115.217 114.554 -0.522 0.000 2.674 14 T HA -0.112 4.237 4.350 -0.001 0.000 0.265 14 T C 2.035 176.485 174.700 -0.417 0.000 1.039 14 T CA 1.288 63.049 62.100 -0.564 0.000 1.150 14 T CB -0.224 68.070 68.868 -0.957 0.000 0.864 14 T HN -0.065 nan 8.240 nan 0.000 0.427 15 V N 2.085 121.684 119.914 -0.525 0.000 2.332 15 V HA -0.184 3.936 4.120 -0.001 0.000 0.248 15 V C 2.359 178.332 176.094 -0.202 0.000 1.055 15 V CA 1.806 63.807 62.300 -0.498 0.000 1.038 15 V CB -0.620 30.639 31.823 -0.941 0.000 0.651 15 V HN 0.404 nan 8.190 nan 0.000 0.450 16 D N -0.610 119.700 120.400 -0.150 0.000 2.144 16 D HA -0.133 4.507 4.640 -0.001 0.000 0.199 16 D C 2.367 178.664 176.300 -0.006 0.000 0.984 16 D CA 1.821 55.807 54.000 -0.024 0.000 0.834 16 D CB -0.074 40.724 40.800 -0.003 0.000 0.955 16 D HN 0.433 nan 8.370 nan 0.000 0.465 17 S N -0.942 114.716 115.700 -0.069 0.000 2.499 17 S HA 0.280 4.749 4.470 -0.001 0.000 0.225 17 S C 0.818 175.413 174.600 -0.008 0.000 1.050 17 S CA 0.134 58.291 58.200 -0.072 0.000 0.928 17 S CB 0.049 63.139 63.200 -0.183 0.000 0.803 17 S HN 0.213 nan 8.310 nan 0.000 0.506 18 A N 1.139 123.954 122.820 -0.010 0.000 2.511 18 A HA 0.626 4.946 4.320 -0.001 0.000 0.242 18 A C 1.352 179.073 177.584 0.229 0.000 1.069 18 A CA 0.483 52.592 52.037 0.121 0.000 0.763 18 A CB 0.022 19.024 19.000 0.004 0.000 1.001 18 A HN 0.598 nan 8.150 nan 0.000 0.498 19 A N 2.329 125.347 122.820 0.330 0.000 1.843 19 A HA 0.372 4.691 4.320 -0.001 0.000 0.213 19 A C 0.666 178.341 177.584 0.152 0.000 1.202 19 A CA 1.622 53.784 52.037 0.208 0.000 0.607 19 A CB -0.206 18.844 19.000 0.084 0.000 0.847 19 A HN 1.163 nan 8.150 nan 0.000 0.445 20 V N 0.102 120.105 119.914 0.149 0.000 2.524 20 V HA 0.554 4.673 4.120 -0.001 0.000 0.297 20 V C -0.886 175.308 176.094 0.166 0.000 1.035 20 V CA -0.166 62.223 62.300 0.149 0.000 0.867 20 V CB 1.289 33.193 31.823 0.135 0.000 1.004 20 V HN 0.453 nan 8.190 nan 0.000 0.426 21 I N 4.901 125.563 120.570 0.153 0.000 2.686 21 I HA 0.667 4.836 4.170 -0.001 0.000 0.295 21 I C -1.808 174.363 176.117 0.090 0.000 1.114 21 I CA -1.048 60.293 61.300 0.069 0.000 1.038 21 I CB 2.304 40.246 38.000 -0.097 0.000 1.238 21 I HN 0.589 nan 8.210 nan 0.000 0.420 22 L N 7.600 128.830 121.223 0.011 0.000 2.325 22 L HA 0.566 4.905 4.340 -0.001 0.000 0.281 22 L C -1.597 175.244 176.870 -0.049 0.000 1.004 22 L CA 0.021 54.897 54.840 0.060 0.000 0.823 22 L CB 1.207 43.284 42.059 0.031 0.000 1.236 22 L HN 0.359 nan 8.230 nan 0.000 0.415 23 F N 3.844 123.915 119.950 0.201 0.000 2.411 23 F HA 0.637 5.163 4.527 -0.001 0.000 0.355 23 F C 0.803 176.694 175.800 0.152 0.000 1.117 23 F CA 0.273 58.378 58.000 0.174 0.000 1.139 23 F CB 1.623 40.740 39.000 0.195 0.000 1.120 23 F HN 0.573 nan 8.300 nan 0.000 0.493 24 S N 3.314 119.168 115.700 0.256 0.000 2.685 24 S HA 0.713 5.183 4.470 -0.001 0.000 0.282 24 S C -1.352 173.338 174.600 0.151 0.000 1.159 24 S CA -0.857 57.450 58.200 0.179 0.000 0.833 24 S CB 1.613 64.891 63.200 0.131 0.000 1.151 24 S HN 0.592 nan 8.310 nan 0.000 0.485 25 K N 0.805 121.278 120.400 0.120 0.000 2.464 25 K HA 0.336 4.655 4.320 -0.001 0.000 0.253 25 K C 0.740 177.383 176.600 0.072 0.000 0.933 25 K CA -0.341 56.002 56.287 0.093 0.000 0.801 25 K CB 1.720 34.275 32.500 0.091 0.000 1.271 25 K HN 0.799 nan 8.250 nan 0.000 0.430 26 T N -2.812 111.774 114.554 0.054 0.000 2.881 26 T HA -0.159 4.190 4.350 -0.001 0.000 0.270 26 T C 1.544 176.263 174.700 0.031 0.000 1.068 26 T CA 1.854 63.978 62.100 0.039 0.000 1.131 26 T CB -0.378 68.507 68.868 0.028 0.000 0.871 26 T HN 0.712 nan 8.240 nan 0.000 0.479 27 T N -1.749 112.826 114.554 0.034 0.000 3.081 27 T HA 0.215 4.564 4.350 -0.001 0.000 0.250 27 T C 0.976 175.691 174.700 0.025 0.000 1.100 27 T CA -0.239 61.876 62.100 0.025 0.000 1.038 27 T CB -0.978 67.905 68.868 0.025 0.000 0.962 27 T HN 0.507 nan 8.240 nan 0.000 0.516 28 C N 4.792 124.119 119.300 0.045 0.000 2.394 28 C HA 0.469 4.929 4.460 -0.001 0.000 0.362 28 C C -0.666 174.330 174.990 0.011 0.000 1.268 28 C CA -2.055 56.999 59.018 0.059 0.000 1.828 28 C CB 0.945 28.759 27.740 0.123 0.000 2.442 28 C HN 0.309 nan 8.230 nan 0.000 0.549 29 P HA -0.089 nan 4.420 nan 0.000 0.221 29 P C 0.735 177.913 177.300 -0.203 0.000 1.150 29 P CA 1.554 64.537 63.100 -0.194 0.000 0.800 29 P CB -0.008 31.487 31.700 -0.341 0.000 0.787 30 Y N -0.336 119.975 120.300 0.018 0.000 2.314 30 Y HA -0.106 4.443 4.550 -0.001 0.000 0.293 30 Y C 2.861 178.771 175.900 0.017 0.000 1.129 30 Y CA 0.651 58.761 58.100 0.015 0.000 1.201 30 Y CB -1.683 36.789 38.460 0.020 0.000 0.999 30 Y HN 0.017 nan 8.280 nan 0.000 0.541 31 C N 0.069 119.469 119.300 0.167 0.000 2.425 31 C HA -0.154 4.305 4.460 -0.001 0.000 0.277 31 C C 2.780 177.808 174.990 0.063 0.000 1.280 31 C CA 0.916 60.000 59.018 0.111 0.000 1.744 31 C CB -0.696 27.111 27.740 0.111 0.000 1.989 31 C HN 0.465 nan 8.230 nan 0.000 0.491 32 K N 1.085 121.507 120.400 0.037 0.000 2.097 32 K HA -0.142 4.177 4.320 -0.001 0.000 0.205 32 K C 2.050 178.651 176.600 0.003 0.000 1.050 32 K CA 1.290 57.585 56.287 0.014 0.000 0.938 32 K CB -0.159 32.336 32.500 -0.008 0.000 0.718 32 K HN 0.488 nan 8.250 nan 0.000 0.442 33 K N 0.220 120.622 120.400 0.003 0.000 2.032 33 K HA -0.126 4.193 4.320 -0.001 0.000 0.209 33 K C 2.067 178.654 176.600 -0.021 0.000 1.048 33 K CA 1.493 57.779 56.287 -0.001 0.000 0.927 33 K CB -0.115 32.403 32.500 0.029 0.000 0.712 33 K HN -0.028 nan 8.250 nan 0.000 0.441 34 V N 1.749 121.659 119.914 -0.007 0.000 2.295 34 V HA -0.260 3.859 4.120 -0.001 0.000 0.246 34 V C 2.063 178.108 176.094 -0.081 0.000 1.049 34 V CA 1.716 63.985 62.300 -0.051 0.000 1.024 34 V CB -0.387 31.419 31.823 -0.028 0.000 0.648 34 V HN 0.298 nan 8.190 nan 0.000 0.447 35 K N -0.124 120.259 120.400 -0.029 0.000 2.063 35 K HA -0.217 4.103 4.320 -0.001 0.000 0.208 35 K C 1.909 178.510 176.600 0.001 0.000 1.048 35 K CA 1.887 58.184 56.287 0.017 0.000 0.928 35 K CB -0.310 32.230 32.500 0.067 0.000 0.713 35 K HN 0.475 nan 8.250 nan 0.000 0.442 36 D N 0.232 120.615 120.400 -0.027 0.000 2.117 36 D HA -0.113 4.526 4.640 -0.001 0.000 0.198 36 D C 1.988 178.223 176.300 -0.109 0.000 0.982 36 D CA 0.826 54.800 54.000 -0.043 0.000 0.828 36 D CB -0.277 40.503 40.800 -0.032 0.000 0.967 36 D HN -0.068 nan 8.370 nan 0.000 0.464 37 V N 1.217 121.016 119.914 -0.192 0.000 2.295 37 V HA -0.221 3.898 4.120 -0.001 0.000 0.246 37 V C 2.646 178.505 176.094 -0.393 0.000 1.049 37 V CA 1.227 63.263 62.300 -0.440 0.000 1.024 37 V CB -0.452 31.070 31.823 -0.502 0.000 0.648 37 V HN 0.195 nan 8.190 nan 0.000 0.447 38 L N -0.139 120.955 121.223 -0.214 0.000 2.046 38 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 38 L C 2.712 179.571 176.870 -0.018 0.000 1.077 38 L CA 1.534 56.308 54.840 -0.110 0.000 0.747 38 L CB -0.817 41.174 42.059 -0.114 0.000 0.896 38 L HN 0.367 nan 8.230 nan 0.000 0.432 39 A N -0.309 122.512 122.820 0.001 0.000 1.902 39 A HA -0.250 4.070 4.320 -0.001 0.000 0.217 39 A C 2.272 179.858 177.584 0.003 0.000 1.181 39 A CA 1.791 53.840 52.037 0.020 0.000 0.623 39 A CB -0.465 18.548 19.000 0.021 0.000 0.818 39 A HN 0.454 nan 8.150 nan 0.000 0.443 40 E N -0.318 119.867 120.200 -0.025 0.000 2.106 40 E HA -0.062 4.287 4.350 -0.001 0.000 0.192 40 E C 1.855 178.492 176.600 0.062 0.000 0.984 40 E CA 0.799 57.209 56.400 0.016 0.000 0.806 40 E CB -0.172 29.542 29.700 0.024 0.000 0.750 40 E HN 0.543 nan 8.360 nan 0.000 0.458 41 A N 0.579 123.419 122.820 0.033 0.000 2.235 41 A HA -0.018 4.301 4.320 -0.001 0.000 0.208 41 A C 0.460 178.088 177.584 0.073 0.000 1.172 41 A CA 0.322 52.429 52.037 0.116 0.000 0.786 41 A CB 0.022 19.098 19.000 0.127 0.000 0.804 41 A HN 0.157 nan 8.150 nan 0.000 0.479 42 K N -0.906 119.522 120.400 0.046 0.000 3.129 42 K HA -0.147 4.173 4.320 -0.001 0.000 0.273 42 K C -0.463 176.163 176.600 0.042 0.000 1.123 42 K CA 0.660 56.969 56.287 0.037 0.000 0.800 42 K CB -2.076 30.443 32.500 0.032 0.000 1.238 42 K HN 0.450 nan 8.250 nan 0.000 0.492 43 I N 1.776 122.380 120.570 0.058 0.000 2.301 43 I HA 0.149 4.319 4.170 -0.001 0.000 0.292 43 I C 0.978 177.184 176.117 0.148 0.000 1.046 43 I CA -0.276 61.072 61.300 0.079 0.000 1.282 43 I CB 0.680 38.717 38.000 0.062 0.000 1.409 43 I HN -0.069 nan 8.210 nan 0.000 0.484 44 K N 6.281 126.736 120.400 0.091 0.000 2.185 44 K HA 0.463 4.783 4.320 -0.001 0.000 0.271 44 K C -0.485 176.200 176.600 0.141 0.000 1.013 44 K CA -0.320 55.997 56.287 0.050 0.000 0.943 44 K CB 0.917 33.394 32.500 -0.039 0.000 0.998 44 K HN 0.740 nan 8.250 nan 0.000 0.468 45 H N -1.908 117.183 119.070 0.035 0.000 3.037 45 H HA 0.538 5.093 4.556 -0.001 0.000 0.336 45 H C -1.623 173.790 175.328 0.142 0.000 1.323 45 H CA -1.189 54.905 56.048 0.076 0.000 1.159 45 H CB 0.808 30.599 29.762 0.049 0.000 1.882 45 H HN 0.581 nan 8.280 nan 0.000 0.535 46 A N 1.030 123.984 122.820 0.225 0.000 2.322 46 A HA 0.626 4.945 4.320 -0.001 0.000 0.269 46 A C -0.424 177.235 177.584 0.124 0.000 1.094 46 A CA -0.072 52.054 52.037 0.148 0.000 0.807 46 A CB 0.389 19.374 19.000 -0.025 0.000 1.047 46 A HN 0.724 nan 8.150 nan 0.000 0.487 47 T N 2.603 117.183 114.554 0.042 0.000 2.879 47 T HA 0.493 4.843 4.350 -0.001 0.000 0.290 47 T C -0.679 173.989 174.700 -0.053 0.000 0.993 47 T CA -0.213 61.906 62.100 0.033 0.000 0.975 47 T CB 0.820 69.748 68.868 0.100 0.000 0.981 47 T HN 0.398 nan 8.240 nan 0.000 0.439 48 I N 3.310 123.805 120.570 -0.126 0.000 2.354 48 I HA 0.282 4.452 4.170 -0.001 0.000 0.286 48 I C 0.159 176.308 176.117 0.052 0.000 1.007 48 I CA -0.842 60.424 61.300 -0.057 0.000 1.167 48 I CB 1.467 39.404 38.000 -0.105 0.000 1.320 48 I HN 0.581 nan 8.210 nan 0.000 0.458 49 E N 7.053 127.288 120.200 0.059 0.000 2.044 49 E HA 0.214 4.563 4.350 -0.001 0.000 0.282 49 E C 1.033 177.683 176.600 0.083 0.000 1.031 49 E CA -0.302 56.144 56.400 0.075 0.000 0.824 49 E CB 1.747 31.476 29.700 0.049 0.000 1.076 49 E HN 0.531 nan 8.360 nan 0.000 0.395 50 L N 1.865 123.162 121.223 0.123 0.000 2.201 50 L HA -0.183 4.156 4.340 -0.001 0.000 0.212 50 L C 1.834 178.741 176.870 0.061 0.000 1.105 50 L CA 1.002 55.910 54.840 0.114 0.000 0.775 50 L CB -0.291 41.861 42.059 0.155 0.000 0.913 50 L HN 0.403 nan 8.230 nan 0.000 0.440 51 D N -0.452 119.982 120.400 0.056 0.000 2.348 51 D HA -0.204 4.436 4.640 -0.001 0.000 0.216 51 D C 1.566 177.876 176.300 0.017 0.000 0.970 51 D CA 0.756 54.777 54.000 0.035 0.000 0.889 51 D CB -0.111 40.711 40.800 0.038 0.000 0.912 51 D HN 0.433 nan 8.370 nan 0.000 0.524 52 Q N -0.245 119.564 119.800 0.014 0.000 2.319 52 Q HA 0.298 4.637 4.340 -0.001 0.000 0.202 52 Q C 0.071 176.057 176.000 -0.024 0.000 0.896 52 Q CA -0.023 55.778 55.803 -0.003 0.000 0.942 52 Q CB 0.934 29.671 28.738 -0.001 0.000 1.083 52 Q HN 0.297 nan 8.270 nan 0.000 0.510 53 L N -0.123 121.083 121.223 -0.027 0.000 2.346 53 L HA 0.256 4.596 4.340 -0.001 0.000 0.274 53 L C 1.281 178.118 176.870 -0.055 0.000 1.007 53 L CA -0.409 54.393 54.840 -0.064 0.000 0.818 53 L CB 1.743 43.744 42.059 -0.097 0.000 1.284 53 L HN 0.024 nan 8.230 nan 0.000 0.424 54 S N 0.469 116.127 115.700 -0.070 0.000 2.402 54 S HA -0.137 4.332 4.470 -0.001 0.000 0.229 54 S C 1.076 175.645 174.600 -0.052 0.000 1.021 54 S CA 1.199 59.366 58.200 -0.054 0.000 0.974 54 S CB -0.325 62.841 63.200 -0.057 0.000 0.800 54 S HN 0.852 nan 8.310 nan 0.000 0.484 55 N N 1.402 120.056 118.700 -0.077 0.000 2.295 55 N HA 0.230 4.969 4.740 -0.001 0.000 0.221 55 N C 1.329 176.816 175.510 -0.038 0.000 1.129 55 N CA 0.452 53.463 53.050 -0.064 0.000 0.836 55 N CB -0.756 37.674 38.487 -0.094 0.000 1.040 55 N HN 0.424 nan 8.380 nan 0.000 0.494 56 G N 0.741 109.526 108.800 -0.024 0.000 2.440 56 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.218 56 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.218 56 G C 1.500 176.422 174.900 0.035 0.000 1.154 56 G CA 0.885 45.996 45.100 0.018 0.000 0.767 56 G HN 0.410 nan 8.290 nan 0.000 0.552 57 S N 0.899 116.612 115.700 0.021 0.000 2.382 57 S HA 0.011 4.480 4.470 -0.001 0.000 0.228 57 S C 2.771 177.386 174.600 0.025 0.000 1.027 57 S CA 1.161 59.376 58.200 0.023 0.000 0.991 57 S CB -0.328 62.881 63.200 0.015 0.000 0.823 57 S HN 0.599 nan 8.310 nan 0.000 0.469 58 A N 1.325 124.158 122.820 0.021 0.000 1.930 58 A HA -0.009 4.310 4.320 -0.001 0.000 0.217 58 A C 2.028 179.643 177.584 0.051 0.000 1.175 58 A CA 1.058 53.112 52.037 0.029 0.000 0.627 58 A CB -0.651 18.362 19.000 0.021 0.000 0.815 58 A HN 0.492 nan 8.150 nan 0.000 0.443 59 I N -0.509 120.101 120.570 0.067 0.000 2.226 59 I HA -0.320 3.849 4.170 -0.001 0.000 0.245 59 I C 2.765 178.912 176.117 0.049 0.000 1.100 59 I CA 1.458 62.822 61.300 0.107 0.000 1.374 59 I CB -0.489 37.622 38.000 0.184 0.000 1.057 59 I HN 0.419 nan 8.210 nan 0.000 0.413 60 Q N 0.888 120.714 119.800 0.044 0.000 2.077 60 Q HA -0.260 4.080 4.340 -0.001 0.000 0.206 60 Q C 2.254 178.261 176.000 0.012 0.000 0.989 60 Q CA 1.696 57.514 55.803 0.024 0.000 0.853 60 Q CB -0.157 28.602 28.738 0.036 0.000 0.907 60 Q HN 0.506 nan 8.270 nan 0.000 0.418 61 K N -0.169 120.243 120.400 0.020 0.000 2.057 61 K HA -0.114 4.205 4.320 -0.001 0.000 0.207 61 K C 2.210 178.822 176.600 0.020 0.000 1.049 61 K CA 1.300 57.594 56.287 0.013 0.000 0.931 61 K CB -0.150 32.358 32.500 0.014 0.000 0.714 61 K HN 0.232 nan 8.250 nan 0.000 0.440 62 C N 1.065 120.393 119.300 0.046 0.000 2.435 62 C HA -0.016 4.444 4.460 -0.001 0.000 0.279 62 C C 2.477 177.556 174.990 0.149 0.000 1.321 62 C CA 0.361 59.432 59.018 0.088 0.000 1.752 62 C CB -0.799 27.021 27.740 0.133 0.000 1.959 62 C HN 0.410 nan 8.230 nan 0.000 0.500 63 L N 0.996 122.264 121.223 0.076 0.000 2.191 63 L HA -0.171 4.169 4.340 -0.001 0.000 0.212 63 L C 2.770 179.711 176.870 0.117 0.000 1.103 63 L CA 1.364 56.254 54.840 0.083 0.000 0.769 63 L CB -0.530 41.464 42.059 -0.108 0.000 0.908 63 L HN 0.344 nan 8.230 nan 0.000 0.438 64 A N -0.998 121.830 122.820 0.014 0.000 2.024 64 A HA -0.193 4.126 4.320 -0.001 0.000 0.220 64 A C 2.421 179.957 177.584 -0.080 0.000 1.164 64 A CA 1.925 53.930 52.037 -0.052 0.000 0.643 64 A CB -0.469 18.498 19.000 -0.054 0.000 0.806 64 A HN 0.392 nan 8.150 nan 0.000 0.451 65 S N -1.311 114.322 115.700 -0.112 0.000 2.474 65 S HA 0.011 4.480 4.470 -0.001 0.000 0.235 65 S C 1.060 175.367 174.600 -0.489 0.000 0.997 65 S CA 1.102 59.104 58.200 -0.331 0.000 0.949 65 S CB -0.372 62.540 63.200 -0.481 0.000 0.766 65 S HN 0.647 nan 8.310 nan 0.000 0.517 66 F N 0.328 120.262 119.950 -0.026 0.000 2.680 66 F HA 0.191 4.717 4.527 -0.001 0.000 0.290 66 F C 2.231 178.032 175.800 0.003 0.000 1.114 66 F CA 0.391 58.433 58.000 0.070 0.000 1.333 66 F CB 0.142 39.248 39.000 0.177 0.000 1.091 66 F HN 0.190 nan 8.300 nan 0.000 0.606 67 S N -1.391 114.267 115.700 -0.069 0.000 2.649 67 S HA 0.210 4.679 4.470 -0.001 0.000 0.246 67 S C 0.892 175.206 174.600 -0.477 0.000 1.057 67 S CA -0.155 57.641 58.200 -0.673 0.000 1.051 67 S CB 0.167 62.552 63.200 -1.359 0.000 1.018 67 S HN 0.225 nan 8.310 nan 0.000 0.569 68 K N 0.427 120.687 120.400 -0.234 0.000 3.547 68 K HA -0.173 4.147 4.320 -0.001 0.000 0.309 68 K C -0.053 176.458 176.600 -0.149 0.000 1.324 68 K CA 1.354 57.549 56.287 -0.153 0.000 0.988 68 K CB -2.155 30.282 32.500 -0.104 0.000 1.261 68 K HN 0.821 nan 8.250 nan 0.000 0.444 69 I N -3.222 117.223 120.570 -0.208 0.000 2.892 69 I HA 0.345 4.514 4.170 -0.001 0.000 0.306 69 I C 0.406 176.463 176.117 -0.099 0.000 1.078 69 I CA -0.825 60.391 61.300 -0.139 0.000 1.032 69 I CB 2.039 39.960 38.000 -0.131 0.000 1.229 69 I HN -0.062 nan 8.210 nan 0.000 0.435 70 E N 1.191 121.361 120.200 -0.050 0.000 2.562 70 E HA 0.097 4.446 4.350 -0.001 0.000 0.214 70 E C 0.006 176.609 176.600 0.006 0.000 0.979 70 E CA -0.043 56.345 56.400 -0.021 0.000 1.002 70 E CB 0.858 30.551 29.700 -0.012 0.000 1.048 70 E HN 0.871 nan 8.360 nan 0.000 0.488 71 T N -0.680 113.877 114.554 0.006 0.000 2.816 71 T HA 0.432 4.782 4.350 -0.001 0.000 0.282 71 T C 0.414 175.157 174.700 0.072 0.000 0.993 71 T CA -0.856 61.262 62.100 0.030 0.000 0.994 71 T CB 1.579 70.450 68.868 0.005 0.000 1.025 71 T HN -0.069 nan 8.240 nan 0.000 0.529 72 V N -1.588 118.383 119.914 0.095 0.000 2.715 72 V HA 0.796 4.915 4.120 -0.001 0.000 0.310 72 V C -2.689 173.485 176.094 0.133 0.000 1.054 72 V CA -2.631 59.754 62.300 0.142 0.000 0.928 72 V CB 1.155 33.074 31.823 0.160 0.000 1.007 72 V HN 0.924 nan 8.190 nan 0.000 0.437 73 P HA 0.458 nan 4.420 nan 0.000 0.279 73 P C -1.337 176.097 177.300 0.223 0.000 1.252 73 P CA -0.429 62.781 63.100 0.184 0.000 0.811 73 P CB 1.050 32.838 31.700 0.147 0.000 1.035 74 Q N 0.886 120.886 119.800 0.333 0.000 2.292 74 Q HA 0.535 4.874 4.340 -0.001 0.000 0.270 74 Q C -0.728 175.559 176.000 0.478 0.000 1.024 74 Q CA -0.461 55.611 55.803 0.448 0.000 0.768 74 Q CB 2.640 31.680 28.738 0.503 0.000 1.250 74 Q HN 0.461 nan 8.270 nan 0.000 0.447 75 M N 2.925 122.654 119.600 0.214 0.000 2.336 75 M HA 0.553 5.033 4.480 -0.001 0.000 0.342 75 M C -1.759 174.538 176.300 -0.007 0.000 1.128 75 M CA -0.475 54.915 55.300 0.150 0.000 1.016 75 M CB 0.871 33.470 32.600 -0.001 0.000 1.665 75 M HN 0.522 nan 8.290 nan 0.000 0.445 76 F N 3.267 123.320 119.950 0.172 0.000 2.532 76 F HA 0.656 5.182 4.527 -0.001 0.000 0.321 76 F C -0.650 175.203 175.800 0.088 0.000 1.089 76 F CA -0.748 57.346 58.000 0.158 0.000 0.926 76 F CB 2.095 41.228 39.000 0.222 0.000 1.168 76 F HN 0.168 nan 8.300 nan 0.000 0.459 77 V N 3.037 123.080 119.914 0.215 0.000 2.443 77 V HA 0.421 4.541 4.120 -0.001 0.000 0.293 77 V C -0.164 176.023 176.094 0.155 0.000 1.021 77 V CA -1.379 61.007 62.300 0.143 0.000 0.848 77 V CB 1.530 33.384 31.823 0.052 0.000 0.998 77 V HN 0.718 nan 8.190 nan 0.000 0.424 78 R N 3.669 124.266 120.500 0.161 0.000 3.225 78 R HA -0.235 4.104 4.340 -0.001 0.000 0.245 78 R C 1.214 177.610 176.300 0.160 0.000 0.928 78 R CA 0.760 56.953 56.100 0.155 0.000 0.632 78 R CB -1.468 28.910 30.300 0.131 0.000 1.038 78 R HN 1.575 nan 8.270 nan 0.000 0.461 79 G N -0.639 108.275 108.800 0.190 0.000 2.175 79 G HA2 -0.364 3.596 3.960 -0.001 0.000 0.244 79 G HA3 -0.364 3.596 3.960 -0.001 0.000 0.244 79 G C 0.027 175.109 174.900 0.303 0.000 0.982 79 G CA 0.531 45.751 45.100 0.200 0.000 0.641 79 G HN 0.422 nan 8.290 nan 0.000 0.527 80 K N -0.033 120.556 120.400 0.316 0.000 2.345 80 K HA 0.607 4.926 4.320 -0.001 0.000 0.255 80 K C -0.412 176.334 176.600 0.244 0.000 0.934 80 K CA -1.260 55.197 56.287 0.284 0.000 0.801 80 K CB 1.006 33.590 32.500 0.140 0.000 1.137 80 K HN 0.096 nan 8.250 nan 0.000 0.424 81 F N 6.374 126.288 119.950 -0.061 0.000 2.571 81 F HA 0.066 4.593 4.527 -0.001 0.000 0.384 81 F C 0.972 176.618 175.800 -0.256 0.000 1.058 81 F CA 0.110 57.742 58.000 -0.613 0.000 1.200 81 F CB 0.471 39.153 39.000 -0.530 0.000 1.077 81 F HN 0.612 nan 8.300 nan 0.000 0.558 82 I N 2.899 122.963 120.570 -0.844 0.000 3.939 82 I HA 0.641 4.811 4.170 -0.001 0.000 0.313 82 I C 0.639 176.347 176.117 -0.683 0.000 1.274 82 I CA 0.404 61.389 61.300 -0.525 0.000 1.301 82 I CB 0.191 38.081 38.000 -0.183 0.000 1.105 82 I HN 0.683 nan 8.210 nan 0.000 0.427 83 G N 1.490 109.484 108.800 -1.343 0.000 2.339 83 G HA2 0.217 4.176 3.960 -0.001 0.000 0.302 83 G HA3 0.217 4.176 3.960 -0.001 0.000 0.302 83 G C -1.772 172.902 174.900 -0.377 0.000 1.425 83 G CA -0.171 44.385 45.100 -0.906 0.000 0.899 83 G HN 0.339 nan 8.290 nan 0.000 0.619 84 D N -0.869 119.504 120.400 -0.046 0.000 2.425 84 D HA 0.468 5.107 4.640 -0.001 0.000 0.274 84 D C 2.069 178.344 176.300 -0.042 0.000 1.242 84 D CA 0.613 54.644 54.000 0.052 0.000 1.060 84 D CB 0.094 40.938 40.800 0.074 0.000 1.112 84 D HN 0.865 nan 8.370 nan 0.000 0.561 85 S N -1.438 114.247 115.700 -0.024 0.000 2.356 85 S HA -0.302 4.167 4.470 -0.001 0.000 0.223 85 S C 1.901 176.471 174.600 -0.050 0.000 1.032 85 S CA 1.693 59.886 58.200 -0.012 0.000 1.005 85 S CB -0.749 62.490 63.200 0.066 0.000 0.867 85 S HN 0.621 nan 8.310 nan 0.000 0.449 86 Q N 0.699 120.452 119.800 -0.077 0.000 2.084 86 Q HA -0.112 4.227 4.340 -0.001 0.000 0.202 86 Q C 2.007 177.910 176.000 -0.163 0.000 0.978 86 Q CA 1.958 57.708 55.803 -0.088 0.000 0.844 86 Q CB -0.518 28.170 28.738 -0.084 0.000 0.898 86 Q HN 0.692 nan 8.270 nan 0.000 0.426 87 T N 0.084 114.500 114.554 -0.230 0.000 2.777 87 T HA -0.101 4.249 4.350 -0.001 0.000 0.266 87 T C 1.849 176.144 174.700 -0.674 0.000 1.040 87 T CA 1.343 63.173 62.100 -0.450 0.000 1.141 87 T CB -0.180 68.437 68.868 -0.418 0.000 0.868 87 T HN 0.110 nan 8.240 nan 0.000 0.444 88 V N 1.323 121.018 119.914 -0.365 0.000 2.343 88 V HA -0.106 4.014 4.120 -0.001 0.000 0.247 88 V C 2.404 178.449 176.094 -0.082 0.000 1.051 88 V CA 1.310 63.502 62.300 -0.181 0.000 1.036 88 V CB -0.633 31.149 31.823 -0.068 0.000 0.654 88 V HN 0.317 nan 8.190 nan 0.000 0.451 89 L N 0.028 121.209 121.223 -0.071 0.000 2.141 89 L HA -0.111 4.228 4.340 -0.001 0.000 0.209 89 L C 2.411 179.302 176.870 0.034 0.000 1.094 89 L CA 1.664 56.524 54.840 0.032 0.000 0.763 89 L CB -0.923 41.153 42.059 0.028 0.000 0.908 89 L HN 0.260 nan 8.230 nan 0.000 0.437 90 K N -0.546 119.791 120.400 -0.106 0.000 2.002 90 K HA -0.225 4.094 4.320 -0.001 0.000 0.209 90 K C 2.273 178.874 176.600 0.001 0.000 1.048 90 K CA 1.774 57.996 56.287 -0.108 0.000 0.930 90 K CB -0.341 32.021 32.500 -0.231 0.000 0.714 90 K HN 0.205 nan 8.250 nan 0.000 0.438 91 Y N -0.153 120.164 120.300 0.028 0.000 2.165 91 Y HA -0.232 4.318 4.550 -0.000 0.000 0.286 91 Y C 2.445 178.392 175.900 0.078 0.000 1.155 91 Y CA 1.188 59.307 58.100 0.031 0.000 1.164 91 Y CB -1.291 37.178 38.460 0.014 0.000 0.978 91 Y HN 0.207 nan 8.280 nan 0.000 0.513 92 Y N 1.095 121.467 120.300 0.119 0.000 2.145 92 Y HA -0.245 4.304 4.550 -0.001 0.000 0.286 92 Y C 2.762 178.686 175.900 0.040 0.000 1.145 92 Y CA 1.603 59.741 58.100 0.064 0.000 1.148 92 Y CB -0.725 37.757 38.460 0.037 0.000 0.981 92 Y HN 0.170 nan 8.280 nan 0.000 0.507 93 S N -0.840 114.869 115.700 0.015 0.000 2.447 93 S HA -0.139 4.331 4.470 -0.001 0.000 0.233 93 S C 1.300 175.858 174.600 -0.070 0.000 1.006 93 S CA 1.371 59.525 58.200 -0.076 0.000 0.957 93 S CB -0.620 62.578 63.200 -0.004 0.000 0.773 93 S HN 0.568 nan 8.310 nan 0.000 0.507 94 N N 1.165 119.856 118.700 -0.016 0.000 2.230 94 N HA 0.175 4.915 4.740 -0.001 0.000 0.202 94 N C -0.873 174.628 175.510 -0.016 0.000 1.119 94 N CA 0.221 53.269 53.050 -0.004 0.000 0.851 94 N CB 0.247 38.758 38.487 0.039 0.000 0.990 94 N HN 0.122 nan 8.380 nan 0.000 0.497 95 D N 0.162 120.532 120.400 -0.051 0.000 2.772 95 D HA -0.193 4.446 4.640 -0.001 0.000 0.233 95 D C 0.224 176.520 176.300 -0.008 0.000 1.143 95 D CA 0.885 54.855 54.000 -0.050 0.000 0.700 95 D CB -1.080 39.685 40.800 -0.057 0.000 1.076 95 D HN 0.567 nan 8.370 nan 0.000 0.430 96 E N -0.898 119.321 120.200 0.032 0.000 2.447 96 E HA 0.061 4.411 4.350 -0.001 0.000 0.204 96 E C 1.957 178.540 176.600 -0.028 0.000 0.977 96 E CA -0.356 56.047 56.400 0.004 0.000 0.950 96 E CB 0.352 30.073 29.700 0.035 0.000 0.975 96 E HN 0.125 nan 8.360 nan 0.000 0.496 97 L N 1.459 122.724 121.223 0.071 0.000 2.046 97 L HA -0.101 4.239 4.340 -0.001 0.000 0.208 97 L C 2.226 179.106 176.870 0.017 0.000 1.077 97 L CA 1.976 56.863 54.840 0.078 0.000 0.747 97 L CB -0.542 41.659 42.059 0.238 0.000 0.896 97 L HN 0.061 nan 8.230 nan 0.000 0.432 98 A N -0.606 122.236 122.820 0.036 0.000 1.908 98 A HA -0.110 4.210 4.320 -0.001 0.000 0.218 98 A C 2.349 179.919 177.584 -0.022 0.000 1.181 98 A CA 1.682 53.729 52.037 0.016 0.000 0.627 98 A CB -1.606 17.409 19.000 0.024 0.000 0.818 98 A HN 0.527 nan 8.150 nan 0.000 0.445 99 G N -0.156 108.618 108.800 -0.043 0.000 2.418 99 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.217 99 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.217 99 G C 1.533 176.377 174.900 -0.094 0.000 1.158 99 G CA 1.130 46.191 45.100 -0.065 0.000 0.771 99 G HN 0.477 nan 8.290 nan 0.000 0.545 100 I N 1.035 121.518 120.570 -0.145 0.000 2.202 100 I HA -0.146 4.024 4.170 -0.001 0.000 0.242 100 I C 2.736 178.782 176.117 -0.119 0.000 1.091 100 I CA 1.145 62.326 61.300 -0.199 0.000 1.368 100 I CB -0.189 37.567 38.000 -0.407 0.000 1.058 100 I HN 0.155 nan 8.210 nan 0.000 0.410 101 V N -2.195 117.672 119.914 -0.079 0.000 3.444 101 V HA -0.019 4.100 4.120 -0.001 0.000 0.271 101 V C 1.442 177.525 176.094 -0.019 0.000 1.188 101 V CA 1.383 63.664 62.300 -0.031 0.000 1.168 101 V CB -0.935 30.885 31.823 -0.005 0.000 0.810 101 V HN 0.465 nan 8.190 nan 0.000 0.500 102 N N -0.159 118.520 118.700 -0.035 0.000 2.273 102 N HA 0.050 4.789 4.740 -0.001 0.000 0.192 102 N C 0.285 175.772 175.510 -0.039 0.000 1.132 102 N CA -0.121 52.910 53.050 -0.031 0.000 0.887 102 N CB 0.405 38.871 38.487 -0.034 0.000 1.048 102 N HN 0.455 nan 8.380 nan 0.000 0.490 103 E N 1.324 121.495 120.200 -0.048 0.000 2.417 103 E HA 0.035 4.385 4.350 -0.001 0.000 0.261 103 E C -0.702 175.878 176.600 -0.033 0.000 1.000 103 E CA 0.462 56.831 56.400 -0.051 0.000 0.919 103 E CB 1.159 30.821 29.700 -0.064 0.000 0.955 103 E HN 0.046 nan 8.360 nan 0.000 0.455 104 S N 2.370 118.043 115.700 -0.045 0.000 2.537 104 S HA 0.200 4.669 4.470 -0.001 0.000 0.270 104 S C 0.569 175.103 174.600 -0.111 0.000 1.142 104 S CA -0.766 57.414 58.200 -0.034 0.000 0.870 104 S CB 1.436 64.646 63.200 0.015 0.000 1.112 104 S HN 0.531 nan 8.310 nan 0.000 0.466 105 K N 1.330 121.604 120.400 -0.209 0.000 2.211 105 K HA 0.037 4.357 4.320 -0.001 0.000 0.203 105 K C -0.595 175.647 176.600 -0.596 0.000 1.050 105 K CA 1.229 57.221 56.287 -0.492 0.000 0.945 105 K CB -0.001 32.024 32.500 -0.792 0.000 0.732 105 K HN 0.623 nan 8.250 nan 0.000 0.451 106 Y N -0.192 120.088 120.300 -0.033 0.000 2.598 106 Y HA 0.163 4.712 4.550 -0.002 0.000 0.340 106 Y C 0.841 176.702 175.900 -0.066 0.000 1.038 106 Y CA -1.244 56.843 58.100 -0.020 0.000 1.100 106 Y CB 1.151 39.631 38.460 0.033 0.000 1.281 106 Y HN -0.144 nan 8.280 nan 0.000 0.488 107 D N 0.138 120.584 120.400 0.076 0.000 2.123 107 D HA -0.151 4.488 4.640 -0.001 0.000 0.196 107 D C -0.506 175.494 176.300 -0.501 0.000 0.992 107 D CA 2.057 55.909 54.000 -0.247 0.000 0.833 107 D CB -0.003 40.648 40.800 -0.248 0.000 0.954 107 D HN 0.393 nan 8.370 nan 0.000 0.455 108 Y N -0.249 120.126 120.300 0.125 0.000 2.545 108 Y HA 0.210 4.759 4.550 -0.002 0.000 0.348 108 Y C 0.957 176.921 175.900 0.107 0.000 1.002 108 Y CA -1.036 57.115 58.100 0.085 0.000 1.039 108 Y CB 1.557 40.051 38.460 0.056 0.000 1.271 108 Y HN -0.329 nan 8.280 nan 0.000 0.467 109 D N 0.812 121.349 120.400 0.228 0.000 2.183 109 D HA -0.022 4.617 4.640 -0.001 0.000 0.203 109 D C -0.295 176.148 176.300 0.238 0.000 0.969 109 D CA 1.449 55.567 54.000 0.196 0.000 0.842 109 D CB 0.553 41.390 40.800 0.062 0.000 0.957 109 D HN 0.228 nan 8.370 nan 0.000 0.484 110 L N 0.574 121.909 121.223 0.186 0.000 2.470 110 L HA 0.402 4.741 4.340 -0.001 0.000 0.268 110 L C -1.594 175.326 176.870 0.084 0.000 0.964 110 L CA -0.499 54.448 54.840 0.178 0.000 0.839 110 L CB 2.139 44.311 42.059 0.188 0.000 1.276 110 L HN -0.239 nan 8.230 nan 0.000 0.403 111 I N 5.621 126.230 120.570 0.065 0.000 2.362 111 I HA 0.452 4.622 4.170 -0.001 0.000 0.289 111 I C -0.704 175.421 176.117 0.013 0.000 0.994 111 I CA -0.944 60.346 61.300 -0.018 0.000 1.158 111 I CB 1.905 39.901 38.000 -0.007 0.000 1.315 111 I HN 0.264 nan 8.210 nan 0.000 0.451 112 V N 7.480 127.390 119.914 -0.007 0.000 2.370 112 V HA 0.366 4.485 4.120 -0.001 0.000 0.279 112 V C 0.253 176.357 176.094 0.017 0.000 1.029 112 V CA -0.419 61.894 62.300 0.021 0.000 0.870 112 V CB 1.382 33.218 31.823 0.023 0.000 0.984 112 V HN 0.474 nan 8.190 nan 0.000 0.451 113 I N 4.879 125.467 120.570 0.031 0.000 2.291 113 I HA 0.685 4.854 4.170 -0.001 0.000 0.290 113 I C 0.737 176.883 176.117 0.049 0.000 1.050 113 I CA -0.018 61.304 61.300 0.037 0.000 1.245 113 I CB 0.910 38.931 38.000 0.035 0.000 1.405 113 I HN 0.860 nan 8.210 nan 0.000 0.478 114 G N 3.592 112.427 108.800 0.057 0.000 3.400 114 G HA2 0.063 4.023 3.960 -0.001 0.000 0.679 114 G HA3 0.063 4.023 3.960 -0.001 0.000 0.679 114 G C -0.169 174.756 174.900 0.042 0.000 1.239 114 G CA -0.594 44.541 45.100 0.058 0.000 1.049 114 G HN 0.910 nan 8.290 nan 0.000 0.539 115 G N 0.663 109.490 108.800 0.046 0.000 4.420 115 G HA2 0.692 4.651 3.960 -0.001 0.000 0.299 115 G HA3 0.692 4.651 3.960 -0.001 0.000 0.299 115 G C 0.737 175.593 174.900 -0.073 0.000 1.343 115 G CA 0.822 45.917 45.100 -0.008 0.000 1.272 115 G HN 1.218 nan 8.290 nan 0.000 0.610 116 G N -0.081 108.684 108.800 -0.058 0.000 2.857 116 G HA2 0.414 4.373 3.960 -0.001 0.000 0.217 116 G HA3 0.414 4.373 3.960 -0.001 0.000 0.217 116 G C 1.173 175.994 174.900 -0.131 0.000 1.357 116 G CA 0.289 45.339 45.100 -0.083 0.000 1.033 116 G HN 0.156 nan 8.290 nan 0.000 0.571 117 S N -0.235 115.408 115.700 -0.094 0.000 2.369 117 S HA -0.163 4.307 4.470 -0.001 0.000 0.225 117 S C 2.460 177.031 174.600 -0.049 0.000 1.043 117 S CA 1.989 60.142 58.200 -0.079 0.000 1.074 117 S CB -0.800 62.383 63.200 -0.029 0.000 0.962 117 S HN 0.798 nan 8.310 nan 0.000 0.433 118 G N 0.858 109.649 108.800 -0.015 0.000 2.404 118 G HA2 0.016 3.976 3.960 -0.001 0.000 0.215 118 G HA3 0.016 3.976 3.960 -0.001 0.000 0.215 118 G C 1.460 176.363 174.900 0.005 0.000 1.174 118 G CA 0.903 46.008 45.100 0.008 0.000 0.780 118 G HN 0.574 nan 8.290 nan 0.000 0.537 119 G N 0.929 109.727 108.800 -0.005 0.000 2.421 119 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.216 119 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.216 119 G C 1.829 176.716 174.900 -0.022 0.000 1.171 119 G CA 0.786 45.886 45.100 -0.001 0.000 0.775 119 G HN 0.407 nan 8.290 nan 0.000 0.543 120 L N 0.666 121.844 121.223 -0.075 0.000 2.083 120 L HA -0.031 4.308 4.340 -0.001 0.000 0.209 120 L C 3.408 180.258 176.870 -0.032 0.000 1.083 120 L CA 0.949 55.732 54.840 -0.095 0.000 0.752 120 L CB -0.397 41.513 42.059 -0.248 0.000 0.899 120 L HN 0.308 nan 8.230 nan 0.000 0.433 121 A N 0.105 122.914 122.820 -0.018 0.000 1.877 121 A HA -0.162 4.157 4.320 -0.001 0.000 0.216 121 A C 2.542 180.151 177.584 0.041 0.000 1.186 121 A CA 1.763 53.812 52.037 0.020 0.000 0.620 121 A CB -0.725 18.288 19.000 0.021 0.000 0.822 121 A HN 0.388 nan 8.150 nan 0.000 0.443 122 A N -0.511 122.336 122.820 0.044 0.000 1.877 122 A HA 0.141 4.460 4.320 -0.001 0.000 0.216 122 A C 2.432 180.060 177.584 0.074 0.000 1.186 122 A CA 1.956 54.037 52.037 0.073 0.000 0.620 122 A CB -1.428 17.614 19.000 0.070 0.000 0.822 122 A HN 0.721 nan 8.150 nan 0.000 0.443 123 G N -0.295 108.528 108.800 0.039 0.000 2.421 123 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.216 123 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.216 123 G C 1.688 176.587 174.900 -0.001 0.000 1.171 123 G CA 1.107 46.217 45.100 0.018 0.000 0.775 123 G HN 0.561 nan 8.290 nan 0.000 0.543 124 K N 0.046 120.444 120.400 -0.004 0.000 2.057 124 K HA -0.083 4.236 4.320 -0.001 0.000 0.207 124 K C 2.401 178.975 176.600 -0.043 0.000 1.049 124 K CA 1.359 57.632 56.287 -0.024 0.000 0.931 124 K CB -0.081 32.413 32.500 -0.010 0.000 0.714 124 K HN 0.283 nan 8.250 nan 0.000 0.440 125 E N 1.015 121.218 120.200 0.004 0.000 2.072 125 E HA -0.121 4.228 4.350 -0.001 0.000 0.191 125 E C 1.763 178.387 176.600 0.039 0.000 0.985 125 E CA 1.356 57.768 56.400 0.020 0.000 0.801 125 E CB -0.115 29.662 29.700 0.129 0.000 0.750 125 E HN 0.279 nan 8.360 nan 0.000 0.452 126 A N 0.835 123.721 122.820 0.111 0.000 1.902 126 A HA -0.074 4.245 4.320 -0.001 0.000 0.217 126 A C 2.447 179.963 177.584 -0.113 0.000 1.181 126 A CA 2.035 54.134 52.037 0.104 0.000 0.623 126 A CB -1.065 17.958 19.000 0.040 0.000 0.818 126 A HN 0.383 nan 8.150 nan 0.000 0.443 127 A N -0.251 122.491 122.820 -0.130 0.000 1.978 127 A HA -0.184 4.135 4.320 -0.001 0.000 0.220 127 A C 2.050 179.520 177.584 -0.190 0.000 1.170 127 A CA 1.849 53.799 52.037 -0.145 0.000 0.636 127 A CB -0.458 18.482 19.000 -0.100 0.000 0.810 127 A HN 0.564 nan 8.150 nan 0.000 0.448 128 K N -1.531 118.685 120.400 -0.306 0.000 2.152 128 K HA -0.174 4.146 4.320 -0.001 0.000 0.206 128 K C 0.643 176.928 176.600 -0.525 0.000 1.048 128 K CA 1.677 57.671 56.287 -0.490 0.000 0.933 128 K CB -0.270 31.770 32.500 -0.765 0.000 0.721 128 K HN 0.714 nan 8.250 nan 0.000 0.447 129 Y N -0.597 119.662 120.300 -0.069 0.000 2.571 129 Y HA 0.244 4.793 4.550 -0.001 0.000 0.275 129 Y C 1.198 177.064 175.900 -0.056 0.000 1.179 129 Y CA -0.032 58.037 58.100 -0.052 0.000 1.242 129 Y CB 0.571 39.042 38.460 0.018 0.000 1.126 129 Y HN 0.171 nan 8.280 nan 0.000 0.524 130 G N 0.088 108.879 108.800 -0.015 0.000 2.143 130 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.249 130 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.249 130 G C 0.334 175.182 174.900 -0.087 0.000 0.981 130 G CA -0.122 44.967 45.100 -0.018 0.000 0.665 130 G HN 0.659 nan 8.290 nan 0.000 0.528 131 A N 0.529 123.203 122.820 -0.244 0.000 2.451 131 A HA 0.545 4.864 4.320 -0.001 0.000 0.266 131 A C 0.785 178.245 177.584 -0.207 0.000 1.119 131 A CA 0.183 51.958 52.037 -0.437 0.000 0.786 131 A CB 0.236 18.508 19.000 -1.214 0.000 1.061 131 A HN 0.418 nan 8.150 nan 0.000 0.503 132 K N 2.703 123.058 120.400 -0.075 0.000 2.382 132 K HA 0.215 4.534 4.320 -0.001 0.000 0.286 132 K C -0.464 176.226 176.600 0.151 0.000 1.062 132 K CA 0.506 56.830 56.287 0.061 0.000 1.000 132 K CB 0.209 32.760 32.500 0.084 0.000 0.954 132 K HN 0.668 nan 8.250 nan 0.000 0.470 133 T N 1.383 116.003 114.554 0.109 0.000 2.841 133 T HA 0.516 4.866 4.350 -0.001 0.000 0.283 133 T C -0.777 173.847 174.700 -0.126 0.000 1.000 133 T CA -0.774 61.327 62.100 0.002 0.000 0.977 133 T CB 1.755 70.592 68.868 -0.053 0.000 0.979 133 T HN 0.591 nan 8.240 nan 0.000 0.446 134 A N 2.401 125.001 122.820 -0.366 0.000 2.343 134 A HA 0.789 5.108 4.320 -0.001 0.000 0.316 134 A C -0.772 176.687 177.584 -0.207 0.000 1.104 134 A CA -0.654 51.098 52.037 -0.475 0.000 0.768 134 A CB 1.132 19.477 19.000 -1.093 0.000 1.213 134 A HN 0.667 nan 8.150 nan 0.000 0.456 135 V N 3.788 123.655 119.914 -0.078 0.000 2.384 135 V HA 0.370 4.490 4.120 -0.001 0.000 0.287 135 V C -0.383 175.758 176.094 0.078 0.000 1.020 135 V CA -0.241 62.072 62.300 0.021 0.000 0.850 135 V CB 1.175 33.038 31.823 0.067 0.000 0.987 135 V HN 0.752 nan 8.190 nan 0.000 0.436 136 L N 4.373 125.622 121.223 0.042 0.000 2.295 136 L HA 0.683 5.022 4.340 -0.001 0.000 0.285 136 L C -0.695 176.246 176.870 0.119 0.000 1.035 136 L CA -0.267 54.599 54.840 0.042 0.000 0.806 136 L CB 1.549 43.610 42.059 0.002 0.000 1.214 136 L HN 0.577 nan 8.230 nan 0.000 0.426 137 D N 1.534 122.040 120.400 0.178 0.000 2.879 137 D HA 0.474 5.114 4.640 -0.001 0.000 0.236 137 D C -1.751 174.677 176.300 0.213 0.000 1.171 137 D CA -0.235 53.889 54.000 0.207 0.000 0.868 137 D CB 1.897 42.858 40.800 0.269 0.000 1.598 137 D HN 0.330 nan 8.370 nan 0.000 0.497 138 Y N 3.103 123.418 120.300 0.025 0.000 2.470 138 Y HA 0.555 5.106 4.550 0.002 0.000 0.341 138 Y C -1.969 173.894 175.900 -0.061 0.000 1.021 138 Y CA -0.832 57.254 58.100 -0.023 0.000 1.025 138 Y CB 1.592 40.031 38.460 -0.035 0.000 1.266 138 Y HN 0.194 nan 8.280 nan 0.000 0.448 139 V N 6.352 125.762 119.914 -0.841 0.000 2.293 139 V HA 0.236 4.355 4.120 -0.001 0.000 0.275 139 V C -0.111 175.223 176.094 -1.266 0.000 1.021 139 V CA -0.827 60.915 62.300 -0.929 0.000 0.815 139 V CB 1.068 32.319 31.823 -0.953 0.000 1.025 139 V HN 0.808 nan 8.190 nan 0.000 0.448 140 E N 6.778 126.324 120.200 -1.091 0.000 2.366 140 E HA 0.190 4.540 4.350 -0.001 0.000 0.266 140 E C -2.293 174.060 176.600 -0.411 0.000 1.015 140 E CA -1.439 54.592 56.400 -0.615 0.000 0.906 140 E CB 0.960 30.550 29.700 -0.182 0.000 0.979 140 E HN 0.424 nan 8.360 nan 0.000 0.443 141 P HA -0.010 nan 4.420 nan 0.000 0.269 141 P C -0.527 176.726 177.300 -0.079 0.000 1.209 141 P CA -0.239 62.743 63.100 -0.198 0.000 0.776 141 P CB 0.646 32.290 31.700 -0.094 0.000 0.876 142 T N 0.097 114.650 114.554 -0.003 0.000 2.802 142 T HA 0.110 4.459 4.350 -0.001 0.000 0.305 142 T C -1.642 173.099 174.700 0.069 0.000 1.053 142 T CA -1.067 61.094 62.100 0.102 0.000 1.058 142 T CB -0.495 68.496 68.868 0.205 0.000 0.988 142 T HN 0.196 nan 8.240 nan 0.000 0.539 143 P HA -0.087 nan 4.420 nan 0.000 0.217 143 P C 1.472 178.791 177.300 0.031 0.000 1.151 143 P CA 1.213 64.315 63.100 0.003 0.000 0.849 143 P CB -0.324 31.333 31.700 -0.073 0.000 0.787 144 I N -6.063 114.558 120.570 0.084 0.000 3.684 144 I HA 0.353 4.522 4.170 -0.001 0.000 0.304 144 I C 1.225 177.394 176.117 0.086 0.000 1.278 144 I CA 0.745 62.100 61.300 0.091 0.000 1.272 144 I CB -0.645 37.435 38.000 0.133 0.000 1.029 144 I HN 0.062 nan 8.210 nan 0.000 0.458 145 G N 0.935 109.780 108.800 0.074 0.000 2.184 145 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.206 145 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.206 145 G C 0.226 175.162 174.900 0.061 0.000 0.995 145 G CA 0.051 45.183 45.100 0.054 0.000 0.651 145 G HN 0.404 nan 8.290 nan 0.000 0.511 146 T N 1.427 116.046 114.554 0.109 0.000 2.888 146 T HA 0.513 4.862 4.350 -0.001 0.000 0.301 146 T C 0.352 175.084 174.700 0.053 0.000 1.001 146 T CA 1.266 63.466 62.100 0.167 0.000 1.147 146 T CB 1.790 70.837 68.868 0.298 0.000 0.931 146 T HN 0.541 nan 8.240 nan 0.000 0.541 147 T N 2.123 116.697 114.554 0.033 0.000 2.812 147 T HA 0.749 5.099 4.350 -0.001 0.000 0.294 147 T C -1.885 172.856 174.700 0.068 0.000 1.159 147 T CA -0.891 61.041 62.100 -0.281 0.000 1.008 147 T CB 0.983 69.677 68.868 -0.289 0.000 1.289 147 T HN 0.808 nan 8.240 nan 0.000 0.514 148 W N -0.436 120.876 121.300 0.020 0.000 2.923 148 W HA 0.781 5.441 4.660 0.001 0.000 0.373 148 W C -0.176 176.364 176.519 0.035 0.000 1.205 148 W CA -0.904 56.461 57.345 0.033 0.000 1.180 148 W CB 0.104 29.587 29.460 0.037 0.000 1.477 148 W HN 0.890 nan 8.180 nan 0.000 0.581 149 G N 0.316 109.320 108.800 0.339 0.000 2.531 149 G HA2 0.485 4.445 3.960 -0.001 0.000 0.281 149 G HA3 0.485 4.445 3.960 -0.001 0.000 0.281 149 G C -1.155 173.884 174.900 0.232 0.000 1.382 149 G CA -1.068 44.166 45.100 0.223 0.000 1.045 149 G HN 0.806 nan 8.290 nan 0.000 0.533 150 L N -0.031 121.278 121.223 0.142 0.000 2.456 150 L HA 0.468 4.807 4.340 -0.001 0.000 0.272 150 L C 1.306 178.193 176.870 0.029 0.000 1.189 150 L CA 2.027 56.895 54.840 0.046 0.000 0.846 150 L CB 0.976 42.950 42.059 -0.143 0.000 1.111 150 L HN 1.186 nan 8.230 nan 0.000 0.475 151 G N 1.504 110.253 108.800 -0.085 0.000 2.485 151 G HA2 0.281 4.241 3.960 -0.001 0.000 0.181 151 G HA3 0.281 4.241 3.960 -0.001 0.000 0.181 151 G C 0.771 175.592 174.900 -0.131 0.000 0.999 151 G CA 0.066 45.022 45.100 -0.240 0.000 0.721 151 G HN 1.788 nan 8.290 nan 0.000 0.486 152 G N -0.767 108.049 108.800 0.026 0.000 2.593 152 G HA2 0.001 3.960 3.960 -0.001 0.000 0.237 152 G HA3 0.001 3.960 3.960 -0.001 0.000 0.237 152 G C 0.890 175.817 174.900 0.045 0.000 1.312 152 G CA 0.835 45.982 45.100 0.079 0.000 0.896 152 G HN 1.140 nan 8.290 nan 0.000 0.574 153 T N -0.363 114.211 114.554 0.034 0.000 2.737 153 T HA -0.154 4.195 4.350 -0.001 0.000 0.265 153 T C 2.496 177.137 174.700 -0.099 0.000 1.038 153 T CA 2.682 64.766 62.100 -0.026 0.000 1.144 153 T CB -0.668 68.224 68.868 0.040 0.000 0.866 153 T HN 1.182 nan 8.240 nan 0.000 0.434 154 C N 1.348 120.613 119.300 -0.059 0.000 2.413 154 C HA -0.049 4.411 4.460 -0.001 0.000 0.276 154 C C 2.733 177.652 174.990 -0.118 0.000 1.236 154 C CA 0.594 59.569 59.018 -0.072 0.000 1.735 154 C CB -1.262 26.459 27.740 -0.033 0.000 2.031 154 C HN 0.358 nan 8.230 nan 0.000 0.474 155 V N 1.932 121.789 119.914 -0.094 0.000 2.307 155 V HA -0.157 3.962 4.120 -0.001 0.000 0.245 155 V C 2.349 178.346 176.094 -0.161 0.000 1.045 155 V CA 2.468 64.722 62.300 -0.077 0.000 1.024 155 V CB -0.646 31.182 31.823 0.009 0.000 0.651 155 V HN 0.619 nan 8.190 nan 0.000 0.449 156 N N -0.104 118.445 118.700 -0.251 0.000 2.436 156 N HA 0.024 4.764 4.740 -0.001 0.000 0.178 156 N C 1.048 176.244 175.510 -0.523 0.000 1.026 156 N CA 1.593 54.399 53.050 -0.406 0.000 0.880 156 N CB 1.069 39.153 38.487 -0.670 0.000 1.061 156 N HN 0.526 nan 8.380 nan 0.000 0.434 157 V N -3.091 116.506 119.914 -0.529 0.000 3.047 157 V HA 0.669 4.788 4.120 -0.001 0.000 0.374 157 V C 0.383 176.376 176.094 -0.169 0.000 1.399 157 V CA -0.294 61.811 62.300 -0.325 0.000 1.251 157 V CB 0.547 32.035 31.823 -0.558 0.000 1.228 157 V HN 0.147 nan 8.190 nan 0.000 0.589 158 G N -0.180 108.412 108.800 -0.347 0.000 3.354 158 G HA2 0.231 4.190 3.960 -0.001 0.000 0.174 158 G HA3 0.231 4.190 3.960 -0.001 0.000 0.174 158 G C 0.849 175.585 174.900 -0.273 0.000 1.140 158 G CA 0.635 45.623 45.100 -0.188 0.000 0.897 158 G HN 0.233 nan 8.290 nan 0.000 0.685 159 C N 0.967 120.187 119.300 -0.134 0.000 2.385 159 C HA -0.041 4.418 4.460 -0.001 0.000 0.275 159 C C 2.751 177.598 174.990 -0.239 0.000 1.207 159 C CA 0.516 59.453 59.018 -0.135 0.000 1.760 159 C CB -1.253 26.446 27.740 -0.069 0.000 2.051 159 C HN 0.408 nan 8.230 nan 0.000 0.467 160 I N 2.265 122.697 120.570 -0.231 0.000 2.110 160 I HA -0.081 4.089 4.170 -0.001 0.000 0.236 160 I C 0.143 176.079 176.117 -0.301 0.000 1.068 160 I CA 1.656 62.833 61.300 -0.204 0.000 1.333 160 I CB -2.736 35.201 38.000 -0.104 0.000 1.054 160 I HN 0.213 nan 8.210 nan 0.000 0.402 161 P HA -0.180 nan 4.420 nan 0.000 0.218 161 P C 1.628 178.535 177.300 -0.656 0.000 1.149 161 P CA 1.437 64.192 63.100 -0.574 0.000 0.817 161 P CB -0.127 31.099 31.700 -0.790 0.000 0.785 162 K N 1.481 121.419 120.400 -0.771 0.000 2.009 162 K HA -0.191 4.129 4.320 -0.001 0.000 0.210 162 K C 2.146 178.630 176.600 -0.195 0.000 1.049 162 K CA 1.874 57.989 56.287 -0.286 0.000 0.929 162 K CB -0.545 31.918 32.500 -0.062 0.000 0.714 162 K HN 0.013 nan 8.250 nan 0.000 0.440 163 K N 0.506 120.743 120.400 -0.272 0.000 2.148 163 K HA -0.030 4.290 4.320 -0.001 0.000 0.204 163 K C 2.363 178.862 176.600 -0.167 0.000 1.050 163 K CA 0.757 56.890 56.287 -0.256 0.000 0.942 163 K CB -0.025 32.217 32.500 -0.431 0.000 0.724 163 K HN 0.129 nan 8.250 nan 0.000 0.446 164 L N 0.314 121.401 121.223 -0.226 0.000 2.056 164 L HA -0.151 4.188 4.340 -0.001 0.000 0.207 164 L C 2.508 179.234 176.870 -0.240 0.000 1.078 164 L CA 1.185 55.897 54.840 -0.213 0.000 0.749 164 L CB -0.253 41.679 42.059 -0.211 0.000 0.901 164 L HN 0.291 nan 8.230 nan 0.000 0.433 165 M N -1.522 117.859 119.600 -0.364 0.000 2.200 165 M HA -0.186 4.293 4.480 -0.001 0.000 0.265 165 M C 2.326 178.400 176.300 -0.378 0.000 1.066 165 M CA 1.257 56.218 55.300 -0.565 0.000 1.127 165 M CB -0.611 31.265 32.600 -1.207 0.000 1.379 165 M HN 0.254 nan 8.290 nan 0.000 0.420 166 H N 0.738 119.637 119.070 -0.284 0.000 2.319 166 H HA -0.235 4.320 4.556 -0.001 0.000 0.297 166 H C 2.022 177.362 175.328 0.020 0.000 1.097 166 H CA 2.423 58.490 56.048 0.032 0.000 1.285 166 H CB -0.154 29.663 29.762 0.092 0.000 1.368 166 H HN 0.293 nan 8.280 nan 0.000 0.495 167 Q N 0.323 120.026 119.800 -0.160 0.000 2.084 167 Q HA -0.035 4.304 4.340 -0.001 0.000 0.202 167 Q C 2.421 178.331 176.000 -0.150 0.000 0.978 167 Q CA 1.914 57.601 55.803 -0.192 0.000 0.844 167 Q CB -0.753 27.901 28.738 -0.140 0.000 0.898 167 Q HN 0.543 nan 8.270 nan 0.000 0.426 168 A N -0.119 122.619 122.820 -0.136 0.000 1.940 168 A HA -0.096 4.223 4.320 -0.001 0.000 0.219 168 A C 2.284 179.786 177.584 -0.137 0.000 1.176 168 A CA 1.752 53.719 52.037 -0.117 0.000 0.631 168 A CB -1.431 17.501 19.000 -0.114 0.000 0.814 168 A HN 0.571 nan 8.150 nan 0.000 0.446 169 G N -0.298 108.448 108.800 -0.089 0.000 2.402 169 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.216 169 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.216 169 G C 1.532 176.394 174.900 -0.065 0.000 1.162 169 G CA 0.947 46.027 45.100 -0.033 0.000 0.777 169 G HN 0.437 nan 8.290 nan 0.000 0.539 170 L N 0.004 121.189 121.223 -0.064 0.000 2.131 170 L HA 0.005 4.344 4.340 -0.001 0.000 0.210 170 L C 2.793 179.651 176.870 -0.019 0.000 1.092 170 L CA 0.422 55.266 54.840 0.006 0.000 0.759 170 L CB -0.328 41.665 42.059 -0.109 0.000 0.903 170 L HN 0.178 nan 8.230 nan 0.000 0.435 171 L N -1.064 120.110 121.223 -0.082 0.000 2.275 171 L HA -0.182 4.158 4.340 -0.001 0.000 0.215 171 L C 2.799 179.605 176.870 -0.107 0.000 1.119 171 L CA 0.865 55.657 54.840 -0.080 0.000 0.790 171 L CB -0.447 41.565 42.059 -0.079 0.000 0.919 171 L HN 0.253 nan 8.230 nan 0.000 0.443 172 S N -0.684 114.893 115.700 -0.204 0.000 2.370 172 S HA -0.215 4.254 4.470 -0.001 0.000 0.226 172 S C 2.010 176.446 174.600 -0.273 0.000 1.033 172 S CA 1.247 59.271 58.200 -0.294 0.000 1.011 172 S CB -0.227 62.681 63.200 -0.487 0.000 0.852 172 S HN 0.502 nan 8.310 nan 0.000 0.457 173 H N 0.580 119.659 119.070 0.015 0.000 2.482 173 H HA 0.300 4.855 4.556 -0.001 0.000 0.286 173 H C 2.463 177.813 175.328 0.037 0.000 1.017 173 H CA 0.940 57.003 56.048 0.026 0.000 1.322 173 H CB -0.775 28.997 29.762 0.016 0.000 1.426 173 H HN 0.542 nan 8.280 nan 0.000 0.546 174 A N 1.575 124.449 122.820 0.090 0.000 1.902 174 A HA -0.101 4.218 4.320 -0.001 0.000 0.217 174 A C 2.591 180.192 177.584 0.028 0.000 1.181 174 A CA 0.908 52.972 52.037 0.045 0.000 0.623 174 A CB -0.857 18.134 19.000 -0.014 0.000 0.818 174 A HN 0.259 nan 8.150 nan 0.000 0.443 175 L N -0.751 120.472 121.223 -0.000 0.000 2.079 175 L HA -0.236 4.103 4.340 -0.001 0.000 0.210 175 L C 2.606 179.506 176.870 0.052 0.000 1.081 175 L CA 1.781 56.620 54.840 -0.002 0.000 0.752 175 L CB -0.627 41.418 42.059 -0.023 0.000 0.896 175 L HN 0.489 nan 8.230 nan 0.000 0.433 176 E N 0.001 120.253 120.200 0.087 0.000 2.028 176 E HA -0.210 4.139 4.350 -0.001 0.000 0.191 176 E C 1.808 178.538 176.600 0.217 0.000 0.988 176 E CA 1.347 57.828 56.400 0.135 0.000 0.799 176 E CB -0.090 29.715 29.700 0.177 0.000 0.755 176 E HN 0.431 nan 8.360 nan 0.000 0.447 177 D N 0.736 121.294 120.400 0.264 0.000 2.149 177 D HA -0.159 4.480 4.640 -0.001 0.000 0.198 177 D C 1.885 178.468 176.300 0.472 0.000 0.990 177 D CA 1.266 55.511 54.000 0.408 0.000 0.839 177 D CB -0.398 40.597 40.800 0.326 0.000 0.948 177 D HN 0.183 nan 8.370 nan 0.000 0.460 178 A N 1.165 124.159 122.820 0.290 0.000 1.927 178 A HA -0.284 4.035 4.320 -0.001 0.000 0.220 178 A C 2.061 179.894 177.584 0.415 0.000 1.185 178 A CA 1.831 54.069 52.037 0.334 0.000 0.639 178 A CB -0.604 18.453 19.000 0.095 0.000 0.820 178 A HN 0.282 nan 8.150 nan 0.000 0.451 179 E N -1.118 119.210 120.200 0.214 0.000 2.077 179 E HA -0.195 4.154 4.350 -0.001 0.000 0.193 179 E C 1.891 178.510 176.600 0.032 0.000 0.989 179 E CA 1.229 57.669 56.400 0.066 0.000 0.800 179 E CB -0.369 29.253 29.700 -0.130 0.000 0.746 179 E HN 0.749 nan 8.360 nan 0.000 0.452 180 H N -0.826 118.367 119.070 0.204 0.000 2.491 180 H HA -0.057 4.499 4.556 -0.001 0.000 0.290 180 H C 1.357 176.661 175.328 -0.040 0.000 1.050 180 H CA 0.807 56.904 56.048 0.081 0.000 1.309 180 H CB -0.082 29.710 29.762 0.051 0.000 1.392 180 H HN 0.172 nan 8.280 nan 0.000 0.554 181 F N -0.153 119.932 119.950 0.225 0.000 2.773 181 F HA 0.227 4.754 4.527 -0.001 0.000 0.304 181 F C 1.675 177.501 175.800 0.043 0.000 1.129 181 F CA 0.589 58.688 58.000 0.166 0.000 1.378 181 F CB 0.668 39.815 39.000 0.245 0.000 1.095 181 F HN 0.254 nan 8.300 nan 0.000 0.565 182 G N -1.305 107.574 108.800 0.131 0.000 2.184 182 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.206 182 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.206 182 G C -0.137 174.684 174.900 -0.131 0.000 0.995 182 G CA -0.769 44.298 45.100 -0.055 0.000 0.651 182 G HN 0.223 nan 8.290 nan 0.000 0.511 183 W N 1.602 122.952 121.300 0.083 0.000 2.266 183 W HA 0.600 5.260 4.660 -0.001 0.000 0.317 183 W C 0.856 177.389 176.519 0.025 0.000 1.310 183 W CA 0.196 57.571 57.345 0.052 0.000 1.207 183 W CB 1.373 30.866 29.460 0.055 0.000 1.199 183 W HN 0.157 nan 8.180 nan 0.000 0.544 184 S N 5.294 121.140 115.700 0.244 0.000 2.404 184 S HA 0.639 5.108 4.470 -0.001 0.000 0.309 184 S C -0.941 173.747 174.600 0.145 0.000 1.076 184 S CA -0.684 57.600 58.200 0.139 0.000 1.095 184 S CB -0.692 62.556 63.200 0.079 0.000 0.972 184 S HN 0.371 nan 8.310 nan 0.000 0.484 185 L N 2.238 123.524 121.223 0.104 0.000 2.465 185 L HA 0.736 5.076 4.340 -0.001 0.000 0.257 185 L C -1.022 175.873 176.870 0.041 0.000 0.988 185 L CA -0.824 54.058 54.840 0.071 0.000 0.827 185 L CB 1.399 43.497 42.059 0.066 0.000 1.397 185 L HN 0.278 nan 8.230 nan 0.000 0.410 186 D N 0.685 121.102 120.400 0.028 0.000 2.456 186 D HA 0.320 4.960 4.640 -0.001 0.000 0.219 186 D C 0.878 177.186 176.300 0.013 0.000 1.126 186 D CA -0.097 53.914 54.000 0.018 0.000 0.890 186 D CB 1.070 41.878 40.800 0.014 0.000 1.025 186 D HN 0.657 nan 8.370 nan 0.000 0.511 187 R N 0.942 121.449 120.500 0.012 0.000 2.193 187 R HA -0.109 4.231 4.340 -0.001 0.000 0.229 187 R C 2.076 178.382 176.300 0.009 0.000 1.110 187 R CA 1.242 57.349 56.100 0.011 0.000 0.988 187 R CB 0.181 30.489 30.300 0.013 0.000 0.871 187 R HN 0.407 nan 8.270 nan 0.000 0.458 188 S N 0.199 115.904 115.700 0.008 0.000 2.474 188 S HA -0.088 4.381 4.470 -0.001 0.000 0.235 188 S C 1.348 175.951 174.600 0.004 0.000 0.997 188 S CA 0.845 59.049 58.200 0.006 0.000 0.949 188 S CB 0.089 63.292 63.200 0.005 0.000 0.766 188 S HN 0.255 nan 8.310 nan 0.000 0.517 189 K N 0.238 120.640 120.400 0.004 0.000 2.358 189 K HA 0.395 4.714 4.320 -0.001 0.000 0.197 189 K C -0.328 176.272 176.600 0.000 0.000 1.025 189 K CA -0.080 56.208 56.287 0.001 0.000 1.104 189 K CB 0.314 32.815 32.500 0.002 0.000 0.855 189 K HN 0.431 nan 8.250 nan 0.000 0.531 190 I N 1.890 122.461 120.570 0.003 0.000 2.353 190 I HA 0.054 4.223 4.170 -0.001 0.000 0.293 190 I C 0.258 176.381 176.117 0.009 0.000 0.992 190 I CA -0.336 60.966 61.300 0.004 0.000 1.268 190 I CB 1.511 39.513 38.000 0.004 0.000 1.387 190 I HN 0.006 nan 8.210 nan 0.000 0.478 191 S N 3.677 119.384 115.700 0.012 0.000 2.661 191 S HA 0.543 5.012 4.470 -0.001 0.000 0.285 191 S C -1.039 173.598 174.600 0.061 0.000 1.138 191 S CA -0.888 57.328 58.200 0.026 0.000 0.855 191 S CB 1.905 65.103 63.200 -0.002 0.000 1.136 191 S HN 0.652 nan 8.310 nan 0.000 0.484 192 H N 0.991 120.054 119.070 -0.011 0.000 2.457 192 H HA 0.560 5.115 4.556 -0.001 0.000 0.335 192 H C -0.763 174.580 175.328 0.024 0.000 1.115 192 H CA -0.436 55.618 56.048 0.009 0.000 1.219 192 H CB 1.154 30.938 29.762 0.036 0.000 1.471 192 H HN 0.629 nan 8.280 nan 0.000 0.491 193 N N 5.634 124.004 118.700 -0.550 0.000 2.546 193 N HA -0.049 4.691 4.740 -0.001 0.000 0.238 193 N C 0.823 176.152 175.510 -0.301 0.000 0.984 193 N CA -0.435 52.441 53.050 -0.290 0.000 0.935 193 N CB 0.284 38.660 38.487 -0.184 0.000 1.122 193 N HN 0.810 nan 8.380 nan 0.000 0.510 194 W N 4.114 125.364 121.300 -0.083 0.000 2.318 194 W HA -0.218 4.441 4.660 -0.001 0.000 0.313 194 W C 0.795 177.353 176.519 0.064 0.000 1.221 194 W CA 1.377 58.794 57.345 0.119 0.000 1.266 194 W CB -0.332 29.276 29.460 0.246 0.000 1.150 194 W HN 0.434 nan 8.180 nan 0.000 0.496 195 S N 0.350 116.150 115.700 0.167 0.000 2.383 195 S HA -0.161 4.308 4.470 -0.001 0.000 0.227 195 S C 1.665 176.217 174.600 -0.080 0.000 1.026 195 S CA 2.000 60.231 58.200 0.052 0.000 0.981 195 S CB -0.588 62.725 63.200 0.189 0.000 0.818 195 S HN 0.291 nan 8.310 nan 0.000 0.472 196 T N 2.316 116.813 114.554 -0.094 0.000 2.746 196 T HA -0.065 4.284 4.350 -0.001 0.000 0.267 196 T C 1.769 176.373 174.700 -0.159 0.000 1.039 196 T CA 1.267 63.296 62.100 -0.118 0.000 1.142 196 T CB -0.277 68.514 68.868 -0.127 0.000 0.866 196 T HN 0.354 nan 8.240 nan 0.000 0.444 197 M N 0.950 120.419 119.600 -0.220 0.000 2.067 197 M HA -0.121 4.358 4.480 -0.001 0.000 0.260 197 M C 2.230 178.365 176.300 -0.274 0.000 1.069 197 M CA 1.640 56.813 55.300 -0.211 0.000 1.117 197 M CB -0.387 32.130 32.600 -0.138 0.000 1.334 197 M HN 0.081 nan 8.290 nan 0.000 0.407 198 V N 1.103 120.767 119.914 -0.416 0.000 2.324 198 V HA -0.279 3.840 4.120 -0.001 0.000 0.250 198 V C 2.406 178.398 176.094 -0.169 0.000 1.060 198 V CA 1.982 64.068 62.300 -0.357 0.000 1.042 198 V CB -0.951 30.622 31.823 -0.418 0.000 0.650 198 V HN 0.502 nan 8.190 nan 0.000 0.450 199 E N 0.476 120.600 120.200 -0.127 0.000 2.077 199 E HA -0.167 4.182 4.350 -0.001 0.000 0.193 199 E C 2.347 178.907 176.600 -0.066 0.000 0.989 199 E CA 1.541 57.899 56.400 -0.069 0.000 0.800 199 E CB -0.759 28.911 29.700 -0.050 0.000 0.746 199 E HN 0.631 nan 8.360 nan 0.000 0.452 200 G N 0.890 109.638 108.800 -0.087 0.000 2.404 200 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.215 200 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.215 200 G C 1.873 176.737 174.900 -0.060 0.000 1.174 200 G CA 0.914 45.970 45.100 -0.074 0.000 0.780 200 G HN 0.186 nan 8.290 nan 0.000 0.537 201 V N 0.528 120.388 119.914 -0.091 0.000 2.295 201 V HA -0.191 3.928 4.120 -0.001 0.000 0.246 201 V C 2.995 179.072 176.094 -0.028 0.000 1.049 201 V CA 1.897 64.152 62.300 -0.075 0.000 1.024 201 V CB -0.381 31.360 31.823 -0.136 0.000 0.648 201 V HN 0.294 nan 8.190 nan 0.000 0.447 202 Q N -0.624 119.153 119.800 -0.038 0.000 2.167 202 Q HA -0.130 4.210 4.340 -0.001 0.000 0.202 202 Q C 2.550 178.548 176.000 -0.003 0.000 0.970 202 Q CA 1.706 57.501 55.803 -0.013 0.000 0.855 202 Q CB -0.596 28.141 28.738 -0.001 0.000 0.911 202 Q HN 0.631 nan 8.270 nan 0.000 0.438 203 S N -0.134 115.563 115.700 -0.005 0.000 2.368 203 S HA -0.186 4.283 4.470 -0.001 0.000 0.225 203 S C 1.881 176.490 174.600 0.017 0.000 1.030 203 S CA 1.114 59.312 58.200 -0.004 0.000 0.999 203 S CB -0.228 62.964 63.200 -0.014 0.000 0.844 203 S HN 0.537 nan 8.310 nan 0.000 0.459 204 H N 0.515 119.550 119.070 -0.058 0.000 2.357 204 H HA 0.009 4.565 4.556 -0.001 0.000 0.301 204 H C 2.131 177.439 175.328 -0.034 0.000 1.082 204 H CA 1.716 57.731 56.048 -0.055 0.000 1.342 204 H CB -0.245 29.472 29.762 -0.074 0.000 1.389 204 H HN 0.445 nan 8.280 nan 0.000 0.511 205 I N 0.545 121.034 120.570 -0.137 0.000 2.208 205 I HA -0.227 3.943 4.170 -0.001 0.000 0.245 205 I C 2.932 179.000 176.117 -0.082 0.000 1.097 205 I CA 1.215 62.428 61.300 -0.145 0.000 1.363 205 I CB -0.618 37.342 38.000 -0.066 0.000 1.051 205 I HN 0.325 nan 8.210 nan 0.000 0.413 206 G N 0.581 109.361 108.800 -0.034 0.000 2.440 206 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.218 206 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.218 206 G C 1.800 176.713 174.900 0.023 0.000 1.154 206 G CA 1.203 46.310 45.100 0.012 0.000 0.767 206 G HN 0.523 nan 8.290 nan 0.000 0.552 207 S N 0.352 116.025 115.700 -0.045 0.000 2.402 207 S HA 0.047 4.516 4.470 -0.001 0.000 0.229 207 S C 2.344 176.958 174.600 0.023 0.000 1.021 207 S CA 1.037 59.233 58.200 -0.005 0.000 0.974 207 S CB -0.308 62.863 63.200 -0.049 0.000 0.800 207 S HN 0.315 nan 8.310 nan 0.000 0.484 208 L N 1.411 122.558 121.223 -0.126 0.000 2.072 208 L HA -0.049 4.290 4.340 -0.001 0.000 0.205 208 L C 2.654 179.555 176.870 0.053 0.000 1.079 208 L CA 1.078 55.840 54.840 -0.130 0.000 0.752 208 L CB -0.889 41.074 42.059 -0.160 0.000 0.906 208 L HN 0.285 nan 8.230 nan 0.000 0.436 209 N N -0.155 118.616 118.700 0.117 0.000 2.036 209 N HA -0.271 4.468 4.740 -0.001 0.000 0.195 209 N C 1.503 177.108 175.510 0.158 0.000 1.037 209 N CA 1.758 54.907 53.050 0.166 0.000 0.855 209 N CB -0.600 37.978 38.487 0.152 0.000 1.033 209 N HN 0.446 nan 8.380 nan 0.000 0.423 210 W N 1.886 123.173 121.300 -0.021 0.000 2.358 210 W HA -0.008 4.651 4.660 -0.001 0.000 0.303 210 W C 2.383 178.860 176.519 -0.070 0.000 1.208 210 W CA 1.968 59.293 57.345 -0.033 0.000 1.274 210 W CB -0.792 28.648 29.460 -0.035 0.000 1.138 210 W HN 0.074 nan 8.180 nan 0.000 0.515 211 G N -0.571 108.240 108.800 0.019 0.000 2.440 211 G HA2 -0.363 3.597 3.960 -0.001 0.000 0.218 211 G HA3 -0.363 3.597 3.960 -0.001 0.000 0.218 211 G C 1.190 175.856 174.900 -0.390 0.000 1.154 211 G CA 1.365 46.303 45.100 -0.270 0.000 0.767 211 G HN 0.361 nan 8.290 nan 0.000 0.552 212 Y N 0.850 121.041 120.300 -0.181 0.000 2.242 212 Y HA 0.047 4.597 4.550 -0.001 0.000 0.291 212 Y C 2.856 178.581 175.900 -0.291 0.000 1.137 212 Y CA 1.178 59.153 58.100 -0.208 0.000 1.181 212 Y CB -0.111 38.244 38.460 -0.176 0.000 0.989 212 Y HN 0.109 nan 8.280 nan 0.000 0.527 213 K N -0.413 119.870 120.400 -0.195 0.000 2.026 213 K HA -0.151 4.168 4.320 -0.001 0.000 0.208 213 K C 2.042 178.466 176.600 -0.293 0.000 1.048 213 K CA 1.666 57.786 56.287 -0.278 0.000 0.929 213 K CB -0.559 31.808 32.500 -0.223 0.000 0.713 213 K HN 0.119 nan 8.250 nan 0.000 0.439 214 V N 1.316 120.946 119.914 -0.473 0.000 2.343 214 V HA -0.255 3.865 4.120 -0.001 0.000 0.247 214 V C 2.364 178.283 176.094 -0.291 0.000 1.051 214 V CA 1.987 63.995 62.300 -0.487 0.000 1.036 214 V CB -0.656 30.659 31.823 -0.848 0.000 0.654 214 V HN 0.360 nan 8.190 nan 0.000 0.451 215 A N -0.189 122.479 122.820 -0.253 0.000 1.908 215 A HA -0.178 4.141 4.320 -0.001 0.000 0.218 215 A C 2.216 179.739 177.584 -0.103 0.000 1.181 215 A CA 1.882 53.828 52.037 -0.152 0.000 0.627 215 A CB -0.542 18.393 19.000 -0.110 0.000 0.818 215 A HN 0.504 nan 8.150 nan 0.000 0.445 216 L N -1.241 119.924 121.223 -0.097 0.000 2.056 216 L HA -0.172 4.167 4.340 -0.001 0.000 0.207 216 L C 2.823 179.663 176.870 -0.049 0.000 1.078 216 L CA 1.663 56.465 54.840 -0.064 0.000 0.749 216 L CB -0.560 41.459 42.059 -0.067 0.000 0.901 216 L HN 0.481 nan 8.230 nan 0.000 0.433 217 R N 0.512 120.972 120.500 -0.067 0.000 2.083 217 R HA -0.202 4.137 4.340 -0.001 0.000 0.237 217 R C 1.752 178.020 176.300 -0.054 0.000 1.137 217 R CA 2.190 58.260 56.100 -0.050 0.000 0.951 217 R CB -0.197 30.059 30.300 -0.072 0.000 0.851 217 R HN 0.313 nan 8.270 nan 0.000 0.434 218 D N -0.063 120.289 120.400 -0.080 0.000 2.264 218 D HA -0.093 4.547 4.640 -0.001 0.000 0.208 218 D C 0.876 177.140 176.300 -0.061 0.000 0.966 218 D CA 1.098 55.055 54.000 -0.071 0.000 0.864 218 D CB -0.267 40.479 40.800 -0.090 0.000 0.933 218 D HN 0.357 nan 8.370 nan 0.000 0.499 219 N N -0.019 118.644 118.700 -0.061 0.000 2.336 219 N HA 0.010 4.749 4.740 -0.001 0.000 0.189 219 N C -0.396 175.086 175.510 -0.046 0.000 1.113 219 N CA -0.013 53.000 53.050 -0.061 0.000 0.858 219 N CB 0.342 38.789 38.487 -0.066 0.000 0.970 219 N HN -0.158 nan 8.380 nan 0.000 0.471 220 Q N -1.059 118.723 119.800 -0.030 0.000 2.487 220 Q HA -0.131 4.209 4.340 -0.001 0.000 0.279 220 Q C -1.180 174.825 176.000 0.007 0.000 1.228 220 Q CA 0.431 56.229 55.803 -0.008 0.000 0.873 220 Q CB -2.007 26.726 28.738 -0.008 0.000 1.260 220 Q HN 0.105 nan 8.270 nan 0.000 0.471 221 V N 0.573 120.489 119.914 0.002 0.000 2.439 221 V HA 0.298 4.417 4.120 -0.001 0.000 0.282 221 V C 0.840 176.959 176.094 0.041 0.000 1.039 221 V CA -0.268 62.039 62.300 0.011 0.000 0.913 221 V CB 1.903 33.721 31.823 -0.007 0.000 0.983 221 V HN 0.232 nan 8.190 nan 0.000 0.460 222 T N 5.674 120.253 114.554 0.042 0.000 2.752 222 T HA 0.180 4.529 4.350 -0.001 0.000 0.295 222 T C -0.535 174.197 174.700 0.053 0.000 0.923 222 T CA 0.318 62.448 62.100 0.051 0.000 1.112 222 T CB -0.362 68.550 68.868 0.073 0.000 0.884 222 T HN 0.521 nan 8.240 nan 0.000 0.525 223 Y N 5.201 125.479 120.300 -0.037 0.000 2.341 223 Y HA 0.541 5.092 4.550 0.001 0.000 0.340 223 Y C -1.078 174.809 175.900 -0.022 0.000 0.997 223 Y CA -1.735 56.343 58.100 -0.036 0.000 1.149 223 Y CB 0.425 38.871 38.460 -0.022 0.000 1.171 223 Y HN 0.498 nan 8.280 nan 0.000 0.494 224 L N 6.512 127.441 121.223 -0.489 0.000 2.319 224 L HA 0.309 4.649 4.340 -0.001 0.000 0.281 224 L C -0.249 176.219 176.870 -0.670 0.000 1.005 224 L CA -0.897 53.631 54.840 -0.519 0.000 0.828 224 L CB 1.299 43.223 42.059 -0.224 0.000 1.227 224 L HN 0.601 nan 8.230 nan 0.000 0.415 225 N N 3.501 121.762 118.700 -0.733 0.000 2.671 225 N HA 0.430 5.169 4.740 -0.001 0.000 0.274 225 N C -0.829 174.602 175.510 -0.131 0.000 1.188 225 N CA 0.098 52.947 53.050 -0.335 0.000 1.065 225 N CB 0.312 38.689 38.487 -0.184 0.000 1.415 225 N HN 0.731 nan 8.380 nan 0.000 0.511 226 A N 2.204 124.976 122.820 -0.081 0.000 2.594 226 A HA 0.403 4.722 4.320 -0.001 0.000 0.295 226 A C -0.761 176.786 177.584 -0.062 0.000 1.071 226 A CA -0.959 51.022 52.037 -0.093 0.000 0.685 226 A CB 1.057 19.991 19.000 -0.111 0.000 1.285 226 A HN 0.457 nan 8.150 nan 0.000 0.405 227 K N 1.258 121.533 120.400 -0.208 0.000 2.312 227 K HA 0.461 4.781 4.320 -0.001 0.000 0.287 227 K C 0.330 176.880 176.600 -0.083 0.000 1.062 227 K CA 0.235 56.416 56.287 -0.178 0.000 0.934 227 K CB 0.614 32.853 32.500 -0.434 0.000 1.027 227 K HN 0.880 nan 8.250 nan 0.000 0.478 228 G N 3.465 112.256 108.800 -0.014 0.000 2.389 228 G HA2 0.398 4.357 3.960 -0.001 0.000 0.328 228 G HA3 0.398 4.357 3.960 -0.001 0.000 0.328 228 G C -1.206 173.694 174.900 0.000 0.000 1.133 228 G CA -0.661 44.434 45.100 -0.008 0.000 0.891 228 G HN 0.660 nan 8.290 nan 0.000 0.485 229 R N 2.108 122.607 120.500 -0.002 0.000 2.515 229 R HA 0.325 4.664 4.340 -0.001 0.000 0.291 229 R C -1.442 174.862 176.300 0.006 0.000 1.046 229 R CA -0.861 55.240 56.100 0.002 0.000 0.914 229 R CB 1.476 31.773 30.300 -0.005 0.000 1.191 229 R HN 0.425 nan 8.270 nan 0.000 0.435 230 L N 7.305 128.532 121.223 0.007 0.000 2.385 230 L HA 0.223 4.563 4.340 -0.001 0.000 0.281 230 L C 0.730 177.602 176.870 0.003 0.000 1.106 230 L CA 0.457 55.299 54.840 0.004 0.000 0.856 230 L CB 0.778 42.834 42.059 -0.005 0.000 1.186 230 L HN 0.805 nan 8.230 nan 0.000 0.453 231 I N 0.914 121.490 120.570 0.010 0.000 3.854 231 I HA 0.342 4.512 4.170 -0.001 0.000 0.312 231 I C 0.515 176.641 176.117 0.014 0.000 1.273 231 I CA 0.246 61.553 61.300 0.012 0.000 1.298 231 I CB 0.108 38.118 38.000 0.016 0.000 1.071 231 I HN 0.592 nan 8.210 nan 0.000 0.428 232 S N -0.573 115.137 115.700 0.016 0.000 2.656 232 S HA 0.543 5.013 4.470 -0.001 0.000 0.273 232 S C -2.455 172.133 174.600 -0.020 0.000 1.168 232 S CA -0.946 57.263 58.200 0.015 0.000 0.817 232 S CB 1.337 64.567 63.200 0.050 0.000 1.146 232 S HN -0.237 nan 8.310 nan 0.000 0.475 233 P HA -0.063 nan 4.420 nan 0.000 0.217 233 P C 0.388 177.461 177.300 -0.378 0.000 1.148 233 P CA 1.707 64.665 63.100 -0.236 0.000 0.834 233 P CB -0.159 31.366 31.700 -0.292 0.000 0.783 234 H N -3.006 116.067 119.070 0.005 0.000 2.893 234 H HA 0.272 4.827 4.556 -0.002 0.000 0.270 234 H C 0.080 175.429 175.328 0.035 0.000 1.095 234 H CA -0.205 55.826 56.048 -0.028 0.000 1.186 234 H CB 0.373 30.123 29.762 -0.020 0.000 1.562 234 H HN 0.139 nan 8.280 nan 0.000 0.536 235 E N 1.346 121.620 120.200 0.124 0.000 2.158 235 E HA 0.397 4.746 4.350 -0.001 0.000 0.271 235 E C -1.017 175.622 176.600 0.065 0.000 0.911 235 E CA -0.686 55.779 56.400 0.108 0.000 0.767 235 E CB 2.853 32.612 29.700 0.098 0.000 1.120 235 E HN -0.052 nan 8.360 nan 0.000 0.405 236 V N 3.625 123.580 119.914 0.068 0.000 2.378 236 V HA 0.164 4.283 4.120 -0.001 0.000 0.288 236 V C -0.079 176.037 176.094 0.036 0.000 1.016 236 V CA -0.785 61.541 62.300 0.043 0.000 0.840 236 V CB 1.441 33.286 31.823 0.038 0.000 0.994 236 V HN 0.659 nan 8.190 nan 0.000 0.431 237 Q N 5.171 124.982 119.800 0.019 0.000 2.286 237 Q HA 0.562 4.901 4.340 -0.001 0.000 0.257 237 Q C -0.742 175.252 176.000 -0.010 0.000 0.941 237 Q CA -0.349 55.458 55.803 0.007 0.000 0.912 237 Q CB 1.133 29.871 28.738 -0.000 0.000 1.192 237 Q HN 0.863 nan 8.270 nan 0.000 0.410 238 I N 0.543 121.103 120.570 -0.016 0.000 2.509 238 I HA 0.560 4.730 4.170 -0.001 0.000 0.293 238 I C -0.949 175.131 176.117 -0.061 0.000 1.020 238 I CA -0.781 60.495 61.300 -0.040 0.000 1.088 238 I CB 2.425 40.405 38.000 -0.033 0.000 1.267 238 I HN 0.306 nan 8.210 nan 0.000 0.430 239 T N 4.055 118.548 114.554 -0.101 0.000 2.815 239 T HA 0.360 4.710 4.350 -0.001 0.000 0.289 239 T C -0.506 174.106 174.700 -0.146 0.000 1.000 239 T CA -0.532 61.495 62.100 -0.122 0.000 0.958 239 T CB 1.133 69.907 68.868 -0.156 0.000 0.944 239 T HN 0.822 nan 8.240 nan 0.000 0.442 240 D N 1.726 122.062 120.400 -0.106 0.000 2.478 240 D HA 0.194 4.834 4.640 -0.001 0.000 0.274 240 D C 1.396 177.641 176.300 -0.092 0.000 1.234 240 D CA -0.906 53.036 54.000 -0.097 0.000 1.069 240 D CB 0.713 41.472 40.800 -0.069 0.000 1.113 240 D HN 0.469 nan 8.370 nan 0.000 0.571 241 K N -0.585 119.778 120.400 -0.061 0.000 2.280 241 K HA -0.126 4.193 4.320 -0.001 0.000 0.202 241 K C 0.539 177.121 176.600 -0.030 0.000 1.047 241 K CA 1.213 57.479 56.287 -0.034 0.000 0.942 241 K CB -0.637 31.857 32.500 -0.009 0.000 0.739 241 K HN 0.366 nan 8.250 nan 0.000 0.457 242 N N 0.822 119.502 118.700 -0.033 0.000 2.314 242 N HA 0.015 4.754 4.740 -0.001 0.000 0.200 242 N C -0.504 174.987 175.510 -0.032 0.000 1.135 242 N CA -0.160 52.875 53.050 -0.025 0.000 0.835 242 N CB 0.507 38.983 38.487 -0.019 0.000 0.989 242 N HN 0.108 nan 8.380 nan 0.000 0.478 243 Q N -0.636 119.134 119.800 -0.049 0.000 2.416 243 Q HA -0.176 4.164 4.340 -0.001 0.000 0.235 243 Q C -0.672 175.298 176.000 -0.049 0.000 0.773 243 Q CA 1.019 56.788 55.803 -0.056 0.000 1.286 243 Q CB -1.275 27.437 28.738 -0.043 0.000 1.556 243 Q HN 0.402 nan 8.270 nan 0.000 0.650 244 K N 0.912 121.286 120.400 -0.044 0.000 2.322 244 K HA 0.401 4.720 4.320 -0.001 0.000 0.283 244 K C 0.211 176.788 176.600 -0.040 0.000 1.042 244 K CA -0.213 56.053 56.287 -0.035 0.000 0.958 244 K CB 1.213 33.697 32.500 -0.027 0.000 0.984 244 K HN -0.080 nan 8.250 nan 0.000 0.473 245 V N 1.870 121.765 119.914 -0.031 0.000 2.435 245 V HA 0.355 4.474 4.120 -0.001 0.000 0.290 245 V C 0.328 176.412 176.094 -0.016 0.000 1.030 245 V CA -0.454 61.828 62.300 -0.030 0.000 0.881 245 V CB 1.592 33.398 31.823 -0.028 0.000 0.983 245 V HN 0.814 nan 8.190 nan 0.000 0.445 246 S N 2.865 118.557 115.700 -0.012 0.000 2.651 246 S HA 0.749 5.218 4.470 -0.001 0.000 0.279 246 S C -0.718 173.891 174.600 0.014 0.000 1.148 246 S CA -0.424 57.778 58.200 0.003 0.000 0.837 246 S CB 2.430 65.634 63.200 0.006 0.000 1.138 246 S HN 0.726 nan 8.310 nan 0.000 0.478 247 T N 2.477 117.048 114.554 0.029 0.000 2.824 247 T HA 0.629 4.978 4.350 -0.001 0.000 0.282 247 T C -0.508 174.235 174.700 0.072 0.000 0.993 247 T CA -0.454 61.673 62.100 0.046 0.000 0.967 247 T CB 0.607 69.502 68.868 0.045 0.000 0.960 247 T HN 0.635 nan 8.240 nan 0.000 0.441 248 I N 0.287 120.917 120.570 0.099 0.000 2.740 248 I HA 0.861 5.030 4.170 -0.001 0.000 0.303 248 I C -0.035 176.189 176.117 0.179 0.000 1.044 248 I CA -0.982 60.414 61.300 0.159 0.000 1.064 248 I CB 2.397 40.541 38.000 0.241 0.000 1.249 248 I HN 0.598 nan 8.210 nan 0.000 0.433 249 T N 0.915 115.602 114.554 0.221 0.000 2.888 249 T HA 0.864 5.213 4.350 -0.001 0.000 0.284 249 T C -0.159 174.714 174.700 0.289 0.000 1.017 249 T CA -0.710 61.543 62.100 0.255 0.000 1.022 249 T CB 1.633 70.691 68.868 0.317 0.000 1.013 249 T HN 1.137 nan 8.240 nan 0.000 0.465 250 G N 1.097 109.998 108.800 0.168 0.000 2.719 250 G HA2 0.416 4.375 3.960 -0.001 0.000 0.298 250 G HA3 0.416 4.375 3.960 -0.001 0.000 0.298 250 G C 0.244 174.982 174.900 -0.269 0.000 1.411 250 G CA -0.792 44.357 45.100 0.081 0.000 0.991 250 G HN 0.636 nan 8.290 nan 0.000 0.509 251 N N 0.564 119.073 118.700 -0.319 0.000 2.022 251 N HA -0.041 4.699 4.740 -0.001 0.000 0.194 251 N C 0.579 176.095 175.510 0.010 0.000 1.057 251 N CA 1.176 54.002 53.050 -0.373 0.000 0.849 251 N CB -0.076 38.422 38.487 0.019 0.000 1.044 251 N HN 0.488 nan 8.380 nan 0.000 0.424 252 K N -0.082 120.386 120.400 0.113 0.000 2.138 252 K HA 0.414 4.734 4.320 -0.001 0.000 0.263 252 K C -0.794 175.886 176.600 0.133 0.000 0.965 252 K CA -0.522 55.855 56.287 0.149 0.000 0.868 252 K CB 2.034 34.639 32.500 0.176 0.000 1.083 252 K HN 0.091 nan 8.250 nan 0.000 0.443 253 I N 3.984 124.630 120.570 0.126 0.000 2.465 253 I HA 0.371 4.541 4.170 -0.001 0.000 0.291 253 I C -0.373 175.834 176.117 0.150 0.000 1.014 253 I CA -0.610 60.748 61.300 0.096 0.000 1.093 253 I CB 1.415 39.431 38.000 0.026 0.000 1.267 253 I HN 0.546 nan 8.210 nan 0.000 0.431 254 I N 6.310 126.952 120.570 0.120 0.000 2.362 254 I HA 0.334 4.504 4.170 -0.001 0.000 0.289 254 I C -0.268 175.900 176.117 0.086 0.000 0.994 254 I CA -0.572 60.803 61.300 0.126 0.000 1.158 254 I CB 1.569 39.633 38.000 0.106 0.000 1.315 254 I HN 0.256 nan 8.210 nan 0.000 0.451 255 L N 6.710 127.983 121.223 0.083 0.000 2.281 255 L HA 0.560 4.900 4.340 -0.001 0.000 0.285 255 L C 0.509 177.416 176.870 0.062 0.000 1.074 255 L CA -0.150 54.726 54.840 0.059 0.000 0.817 255 L CB 1.048 43.134 42.059 0.044 0.000 1.168 255 L HN 0.749 nan 8.230 nan 0.000 0.434 256 A N 1.160 124.013 122.820 0.055 0.000 3.292 256 A HA 0.273 4.592 4.320 -0.001 0.000 0.231 256 A C 0.747 178.362 177.584 0.051 0.000 0.952 256 A CA -0.222 51.846 52.037 0.052 0.000 1.044 256 A CB -0.055 18.973 19.000 0.048 0.000 1.236 256 A HN 0.725 nan 8.150 nan 0.000 0.525 257 T N -3.000 111.587 114.554 0.054 0.000 3.081 257 T HA 0.454 4.803 4.350 -0.001 0.000 0.250 257 T C 1.348 176.087 174.700 0.066 0.000 1.100 257 T CA 1.003 63.139 62.100 0.060 0.000 1.038 257 T CB -0.110 68.794 68.868 0.060 0.000 0.962 257 T HN 2.086 nan 8.240 nan 0.000 0.516 258 G N 1.261 110.099 108.800 0.062 0.000 2.601 258 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.252 258 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.252 258 G C -0.765 174.178 174.900 0.071 0.000 1.294 258 G CA -0.143 44.998 45.100 0.069 0.000 0.912 258 G HN 0.640 nan 8.290 nan 0.000 0.574 259 E N -0.398 119.852 120.200 0.082 0.000 2.378 259 E HA 0.740 5.089 4.350 -0.001 0.000 0.265 259 E C -0.234 176.427 176.600 0.100 0.000 0.932 259 E CA -1.129 55.319 56.400 0.080 0.000 0.795 259 E CB 1.657 31.400 29.700 0.071 0.000 1.296 259 E HN 0.460 nan 8.360 nan 0.000 0.438 260 R N 0.532 121.090 120.500 0.096 0.000 2.837 260 R HA 0.477 4.816 4.340 -0.001 0.000 0.271 260 R C -2.698 173.658 176.300 0.092 0.000 0.993 260 R CA -2.517 53.654 56.100 0.118 0.000 0.931 260 R CB 0.866 31.244 30.300 0.132 0.000 1.206 260 R HN 0.314 nan 8.270 nan 0.000 0.474 261 P HA 0.066 nan 4.420 nan 0.000 0.266 261 P C -0.440 176.870 177.300 0.017 0.000 1.195 261 P CA 0.142 63.252 63.100 0.017 0.000 0.768 261 P CB 0.543 32.223 31.700 -0.033 0.000 0.838 262 K N 2.188 122.573 120.400 -0.026 0.000 2.126 262 K HA 0.333 4.653 4.320 -0.001 0.000 0.257 262 K C -0.514 176.010 176.600 -0.127 0.000 1.007 262 K CA -0.170 56.113 56.287 -0.006 0.000 0.928 262 K CB 0.464 32.955 32.500 -0.014 0.000 1.013 262 K HN 0.421 nan 8.250 nan 0.000 0.473 263 Y N 1.275 121.492 120.300 -0.137 0.000 2.429 263 Y HA 0.263 4.812 4.550 -0.001 0.000 0.342 263 Y C -1.791 173.916 175.900 -0.321 0.000 1.004 263 Y CA -2.193 55.718 58.100 -0.314 0.000 1.075 263 Y CB 1.291 39.572 38.460 -0.298 0.000 1.214 263 Y HN 0.507 nan 8.280 nan 0.000 0.455 264 P HA 0.071 nan 4.420 nan 0.000 0.275 264 P C -0.941 176.268 177.300 -0.152 0.000 1.228 264 P CA -0.327 62.649 63.100 -0.207 0.000 0.786 264 P CB 0.871 32.435 31.700 -0.226 0.000 0.927 265 E N 2.148 122.299 120.200 -0.081 0.000 2.148 265 E HA 0.180 4.530 4.350 -0.001 0.000 0.308 265 E C 0.211 176.786 176.600 -0.041 0.000 1.278 265 E CA -0.077 56.288 56.400 -0.059 0.000 1.368 265 E CB -0.588 29.091 29.700 -0.036 0.000 1.229 265 E HN 0.438 nan 8.360 nan 0.000 0.494 266 I N -2.408 118.132 120.570 -0.049 0.000 2.730 266 I HA 0.577 4.746 4.170 -0.001 0.000 0.298 266 I C -2.755 173.369 176.117 0.012 0.000 1.089 266 I CA -3.418 57.882 61.300 -0.001 0.000 1.041 266 I CB 1.839 39.857 38.000 0.030 0.000 1.235 266 I HN -0.145 nan 8.210 nan 0.000 0.423 267 P HA 0.217 nan 4.420 nan 0.000 0.268 267 P C 0.776 178.136 177.300 0.101 0.000 1.204 267 P CA 0.907 64.035 63.100 0.047 0.000 0.768 267 P CB 0.824 32.563 31.700 0.064 0.000 0.842 268 G N 2.209 111.044 108.800 0.058 0.000 2.217 268 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.246 268 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.246 268 G C 1.172 176.150 174.900 0.130 0.000 0.990 268 G CA 0.525 45.697 45.100 0.120 0.000 0.627 268 G HN 0.675 nan 8.290 nan 0.000 0.522 269 A N 0.064 122.954 122.820 0.116 0.000 1.845 269 A HA 0.242 4.562 4.320 -0.001 0.000 0.215 269 A C 2.575 180.279 177.584 0.200 0.000 1.195 269 A CA 2.958 55.112 52.037 0.195 0.000 0.616 269 A CB -0.702 18.205 19.000 -0.156 0.000 0.832 269 A HN 1.093 nan 8.150 nan 0.000 0.443 270 V N -0.083 119.740 119.914 -0.151 0.000 2.453 270 V HA -0.184 3.936 4.120 -0.001 0.000 0.247 270 V C 2.435 178.404 176.094 -0.209 0.000 1.048 270 V CA 2.265 64.324 62.300 -0.402 0.000 1.049 270 V CB -0.829 30.680 31.823 -0.524 0.000 0.672 270 V HN 0.594 nan 8.190 nan 0.000 0.457 271 E N -0.757 119.266 120.200 -0.295 0.000 2.072 271 E HA -0.108 4.242 4.350 -0.001 0.000 0.190 271 E C 1.750 178.158 176.600 -0.320 0.000 0.982 271 E CA 1.584 57.698 56.400 -0.477 0.000 0.803 271 E CB -0.156 28.947 29.700 -0.994 0.000 0.755 271 E HN 0.820 nan 8.360 nan 0.000 0.453 272 Y N -1.169 119.210 120.300 0.132 0.000 2.467 272 Y HA 0.360 4.910 4.550 -0.001 0.000 0.259 272 Y C 1.362 177.357 175.900 0.158 0.000 1.084 272 Y CA -0.454 57.721 58.100 0.124 0.000 1.275 272 Y CB 0.529 39.047 38.460 0.098 0.000 1.208 272 Y HN -0.040 nan 8.280 nan 0.000 0.511 273 G N 1.626 110.671 108.800 0.408 0.000 2.537 273 G HA2 0.514 4.474 3.960 -0.001 0.000 0.273 273 G HA3 0.514 4.474 3.960 -0.001 0.000 0.273 273 G C -0.466 174.629 174.900 0.325 0.000 1.189 273 G CA -0.394 44.909 45.100 0.339 0.000 0.881 273 G HN 0.256 nan 8.290 nan 0.000 0.535 274 I N -2.235 118.422 120.570 0.145 0.000 3.206 274 I HA 0.902 5.071 4.170 -0.001 0.000 0.313 274 I C 0.148 176.284 176.117 0.032 0.000 1.103 274 I CA -1.004 60.378 61.300 0.136 0.000 0.985 274 I CB 2.453 40.493 38.000 0.067 0.000 1.240 274 I HN 0.670 nan 8.210 nan 0.000 0.464 275 T N -1.731 112.829 114.554 0.010 0.000 2.773 275 T HA 0.330 4.679 4.350 -0.001 0.000 0.278 275 T C 0.982 175.628 174.700 -0.090 0.000 1.011 275 T CA 0.024 62.081 62.100 -0.072 0.000 1.014 275 T CB 1.067 69.874 68.868 -0.102 0.000 1.293 275 T HN 0.843 nan 8.240 nan 0.000 0.554 276 S N 0.137 115.775 115.700 -0.104 0.000 2.400 276 S HA -0.179 4.291 4.470 -0.001 0.000 0.232 276 S C 1.312 175.868 174.600 -0.075 0.000 1.025 276 S CA 1.611 59.717 58.200 -0.157 0.000 0.993 276 S CB -1.022 62.193 63.200 0.025 0.000 0.808 276 S HN 0.718 nan 8.310 nan 0.000 0.478 277 D N 2.074 122.496 120.400 0.037 0.000 2.149 277 D HA -0.079 4.560 4.640 -0.001 0.000 0.198 277 D C 1.555 177.937 176.300 0.137 0.000 0.990 277 D CA 1.429 55.489 54.000 0.099 0.000 0.839 277 D CB -0.333 40.662 40.800 0.326 0.000 0.948 277 D HN 0.551 nan 8.370 nan 0.000 0.460 278 D N -0.478 119.982 120.400 0.100 0.000 2.277 278 D HA -0.037 4.602 4.640 -0.001 0.000 0.209 278 D C 2.175 178.484 176.300 0.015 0.000 0.970 278 D CA -0.059 54.004 54.000 0.106 0.000 0.874 278 D CB -0.013 40.854 40.800 0.111 0.000 0.982 278 D HN 0.112 nan 8.370 nan 0.000 0.504 279 L N 0.629 121.774 121.223 -0.130 0.000 2.042 279 L HA -0.156 4.183 4.340 -0.001 0.000 0.210 279 L C 1.731 178.568 176.870 -0.055 0.000 1.076 279 L CA 1.602 56.328 54.840 -0.190 0.000 0.749 279 L CB -0.650 41.143 42.059 -0.444 0.000 0.893 279 L HN -0.148 nan 8.230 nan 0.000 0.432 280 F N -0.909 119.112 119.950 0.117 0.000 2.661 280 F HA 0.034 4.560 4.527 -0.001 0.000 0.298 280 F C 2.227 178.026 175.800 -0.001 0.000 1.137 280 F CA 0.750 58.772 58.000 0.037 0.000 1.454 280 F CB -0.779 38.188 39.000 -0.056 0.000 1.103 280 F HN 0.344 nan 8.300 nan 0.000 0.577 281 S N -1.144 114.665 115.700 0.180 0.000 2.730 281 S HA 0.246 4.715 4.470 -0.001 0.000 0.244 281 S C 0.130 174.815 174.600 0.141 0.000 1.022 281 S CA -0.421 57.860 58.200 0.135 0.000 1.014 281 S CB -0.526 62.766 63.200 0.152 0.000 0.963 281 S HN 0.035 nan 8.310 nan 0.000 0.540 282 L N 4.331 125.660 121.223 0.176 0.000 2.584 282 L HA 0.258 4.597 4.340 -0.001 0.000 0.272 282 L C -1.317 175.648 176.870 0.157 0.000 1.195 282 L CA -1.093 53.784 54.840 0.062 0.000 0.920 282 L CB 0.456 42.469 42.059 -0.076 0.000 1.173 282 L HN 0.052 nan 8.230 nan 0.000 0.489 283 P HA -0.103 nan 4.420 nan 0.000 0.225 283 P C -0.735 176.729 177.300 0.275 0.000 1.156 283 P CA 0.955 64.173 63.100 0.196 0.000 0.787 283 P CB -0.107 31.717 31.700 0.206 0.000 0.802 284 Y N -0.705 119.693 120.300 0.164 0.000 2.487 284 Y HA 0.589 5.138 4.550 -0.001 0.000 0.337 284 Y C 0.302 176.097 175.900 -0.176 0.000 1.076 284 Y CA -2.834 55.263 58.100 -0.006 0.000 1.115 284 Y CB 0.022 38.349 38.460 -0.221 0.000 1.235 284 Y HN -0.247 nan 8.280 nan 0.000 0.468 285 F N 0.088 119.993 119.950 -0.075 0.000 2.529 285 F HA 0.463 4.989 4.527 -0.001 0.000 0.365 285 F C -2.290 173.281 175.800 -0.382 0.000 1.102 285 F CA -2.782 54.880 58.000 -0.564 0.000 1.271 285 F CB 0.248 39.167 39.000 -0.135 0.000 1.120 285 F HN 0.279 nan 8.300 nan 0.000 0.579 286 P HA 0.060 nan 4.420 nan 0.000 0.218 286 P C 1.117 178.381 177.300 -0.059 0.000 1.149 286 P CA 1.858 64.778 63.100 -0.300 0.000 0.817 286 P CB -0.087 31.356 31.700 -0.428 0.000 0.785 287 G N -0.285 108.581 108.800 0.110 0.000 2.552 287 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.265 287 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.265 287 G C -0.265 174.692 174.900 0.095 0.000 1.234 287 G CA -0.185 45.041 45.100 0.211 0.000 0.944 287 G HN 0.456 nan 8.290 nan 0.000 0.568 288 K N 1.125 121.587 120.400 0.103 0.000 2.419 288 K HA 0.399 4.718 4.320 -0.001 0.000 0.282 288 K C -0.390 176.320 176.600 0.184 0.000 1.056 288 K CA 0.944 57.305 56.287 0.123 0.000 1.035 288 K CB -0.280 32.275 32.500 0.091 0.000 0.921 288 K HN 0.519 nan 8.250 nan 0.000 0.472 289 T N 4.854 119.493 114.554 0.143 0.000 2.841 289 T HA 0.338 4.688 4.350 -0.001 0.000 0.283 289 T C -1.209 173.381 174.700 -0.184 0.000 1.000 289 T CA -0.739 61.355 62.100 -0.010 0.000 0.977 289 T CB 1.188 69.986 68.868 -0.115 0.000 0.979 289 T HN 0.467 nan 8.240 nan 0.000 0.446 290 L N 4.117 125.014 121.223 -0.544 0.000 2.313 290 L HA 0.703 5.043 4.340 -0.001 0.000 0.283 290 L C -1.051 175.496 176.870 -0.538 0.000 1.013 290 L CA -0.513 53.824 54.840 -0.838 0.000 0.816 290 L CB 1.253 42.372 42.059 -1.567 0.000 1.236 290 L HN 0.440 nan 8.230 nan 0.000 0.419 291 V N 6.931 126.592 119.914 -0.422 0.000 2.350 291 V HA 0.404 4.524 4.120 -0.001 0.000 0.276 291 V C 0.208 176.120 176.094 -0.303 0.000 1.028 291 V CA -0.365 61.730 62.300 -0.340 0.000 0.860 291 V CB 1.261 32.923 31.823 -0.268 0.000 0.990 291 V HN 0.594 nan 8.190 nan 0.000 0.453 292 I N 5.115 125.513 120.570 -0.287 0.000 2.297 292 I HA 0.754 4.923 4.170 -0.001 0.000 0.291 292 I C 0.763 176.839 176.117 -0.069 0.000 1.033 292 I CA 0.358 61.557 61.300 -0.169 0.000 1.253 292 I CB 1.049 38.995 38.000 -0.090 0.000 1.396 292 I HN 0.866 nan 8.210 nan 0.000 0.476 293 G N 4.308 113.072 108.800 -0.060 0.000 2.339 293 G HA2 0.349 4.309 3.960 -0.001 0.000 0.381 293 G HA3 0.349 4.309 3.960 -0.001 0.000 0.381 293 G C -0.775 174.123 174.900 -0.003 0.000 1.400 293 G CA -0.134 44.951 45.100 -0.025 0.000 1.002 293 G HN 0.729 nan 8.290 nan 0.000 0.633 294 A N -0.476 122.358 122.820 0.023 0.000 2.622 294 A HA 0.724 5.043 4.320 -0.001 0.000 0.283 294 A C 1.014 178.641 177.584 0.072 0.000 0.998 294 A CA 1.279 53.353 52.037 0.062 0.000 0.985 294 A CB -0.435 18.608 19.000 0.072 0.000 1.236 294 A HN 2.303 nan 8.150 nan 0.000 0.559 295 S N -0.617 115.108 115.700 0.043 0.000 2.617 295 S HA 0.308 4.778 4.470 -0.001 0.000 0.259 295 S C 1.142 175.771 174.600 0.049 0.000 1.301 295 S CA 0.249 58.482 58.200 0.055 0.000 0.984 295 S CB -0.057 63.116 63.200 -0.045 0.000 0.954 295 S HN 1.017 nan 8.310 nan 0.000 0.572 296 Y N -0.255 120.099 120.300 0.089 0.000 2.256 296 Y HA -0.041 4.509 4.550 -0.001 0.000 0.288 296 Y C 1.774 177.721 175.900 0.078 0.000 1.155 296 Y CA 1.184 59.305 58.100 0.035 0.000 1.203 296 Y CB -1.171 37.302 38.460 0.021 0.000 0.980 296 Y HN 0.286 nan 8.280 nan 0.000 0.530 297 V N 1.516 121.127 119.914 -0.505 0.000 2.295 297 V HA -0.325 3.794 4.120 -0.001 0.000 0.246 297 V C 2.942 178.984 176.094 -0.087 0.000 1.049 297 V CA 1.950 64.086 62.300 -0.274 0.000 1.024 297 V CB -1.516 30.105 31.823 -0.338 0.000 0.648 297 V HN 0.662 nan 8.190 nan 0.000 0.447 298 A N -0.144 122.619 122.820 -0.095 0.000 1.865 298 A HA -0.195 4.124 4.320 -0.001 0.000 0.217 298 A C 2.211 179.764 177.584 -0.052 0.000 1.191 298 A CA 2.097 54.088 52.037 -0.077 0.000 0.623 298 A CB -0.604 18.364 19.000 -0.053 0.000 0.826 298 A HN 0.511 nan 8.150 nan 0.000 0.444 299 L N -1.125 120.108 121.223 0.017 0.000 2.109 299 L HA -0.157 4.182 4.340 -0.001 0.000 0.207 299 L C 2.594 179.500 176.870 0.060 0.000 1.086 299 L CA 1.415 56.291 54.840 0.061 0.000 0.760 299 L CB -0.661 41.468 42.059 0.117 0.000 0.910 299 L HN 0.474 nan 8.230 nan 0.000 0.437 300 E N -0.371 119.890 120.200 0.101 0.000 2.051 300 E HA -0.227 4.123 4.350 -0.001 0.000 0.192 300 E C 2.346 178.967 176.600 0.036 0.000 0.991 300 E CA 1.711 58.212 56.400 0.168 0.000 0.799 300 E CB -0.155 29.721 29.700 0.293 0.000 0.748 300 E HN 0.522 nan 8.360 nan 0.000 0.449 301 C N 0.560 119.782 119.300 -0.130 0.000 2.453 301 C HA -0.061 4.399 4.460 -0.001 0.000 0.277 301 C C 2.911 177.472 174.990 -0.715 0.000 1.262 301 C CA 0.734 59.382 59.018 -0.617 0.000 1.718 301 C CB -0.959 26.584 27.740 -0.328 0.000 2.031 301 C HN 0.526 nan 8.230 nan 0.000 0.480 302 A N 0.948 123.560 122.820 -0.348 0.000 1.908 302 A HA 0.001 4.321 4.320 -0.001 0.000 0.218 302 A C 2.366 179.836 177.584 -0.190 0.000 1.181 302 A CA 2.252 54.129 52.037 -0.266 0.000 0.627 302 A CB -1.302 17.576 19.000 -0.203 0.000 0.818 302 A HN 0.565 nan 8.150 nan 0.000 0.445 303 G N 0.006 108.750 108.800 -0.094 0.000 2.480 303 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.216 303 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.216 303 G C 1.477 176.467 174.900 0.151 0.000 1.200 303 G CA 1.318 46.466 45.100 0.080 0.000 0.782 303 G HN 0.852 nan 8.290 nan 0.000 0.554 304 F N 0.356 120.427 119.950 0.202 0.000 2.234 304 F HA 0.227 4.753 4.527 -0.001 0.000 0.299 304 F C 2.247 178.133 175.800 0.144 0.000 1.087 304 F CA 0.419 58.537 58.000 0.197 0.000 1.340 304 F CB -0.394 38.746 39.000 0.234 0.000 1.031 304 F HN 0.039 nan 8.300 nan 0.000 0.500 305 L N 1.062 122.261 121.223 -0.039 0.000 2.046 305 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 305 L C 3.036 179.948 176.870 0.070 0.000 1.077 305 L CA 1.151 56.024 54.840 0.055 0.000 0.747 305 L CB -1.012 40.963 42.059 -0.139 0.000 0.896 305 L HN 0.371 nan 8.230 nan 0.000 0.432 306 A N -0.895 121.950 122.820 0.042 0.000 1.898 306 A HA -0.170 4.150 4.320 -0.001 0.000 0.216 306 A C 2.477 180.125 177.584 0.107 0.000 1.181 306 A CA 1.947 54.023 52.037 0.065 0.000 0.620 306 A CB -0.529 18.507 19.000 0.061 0.000 0.819 306 A HN 0.354 nan 8.150 nan 0.000 0.442 307 S N -0.269 115.522 115.700 0.151 0.000 2.423 307 S HA 0.022 4.492 4.470 -0.001 0.000 0.231 307 S C 1.343 175.932 174.600 -0.018 0.000 1.014 307 S CA 0.842 59.111 58.200 0.115 0.000 0.965 307 S CB -0.316 63.004 63.200 0.199 0.000 0.785 307 S HN 0.505 nan 8.310 nan 0.000 0.495 308 L N 0.892 122.127 121.223 0.021 0.000 2.645 308 L HA 0.212 4.552 4.340 -0.001 0.000 0.235 308 L C 1.588 178.470 176.870 0.020 0.000 1.150 308 L CA 0.302 55.102 54.840 -0.067 0.000 0.911 308 L CB -0.557 41.477 42.059 -0.041 0.000 1.077 308 L HN 0.478 nan 8.230 nan 0.000 0.438 309 G N -0.444 108.376 108.800 0.033 0.000 2.175 309 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.244 309 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.244 309 G C 0.566 175.494 174.900 0.047 0.000 0.982 309 G CA -0.240 44.884 45.100 0.040 0.000 0.641 309 G HN 0.521 nan 8.290 nan 0.000 0.527 310 G N -0.269 108.564 108.800 0.056 0.000 2.527 310 G HA2 0.429 4.388 3.960 -0.001 0.000 0.248 310 G HA3 0.429 4.388 3.960 -0.001 0.000 0.248 310 G C -0.353 174.568 174.900 0.035 0.000 1.231 310 G CA 0.400 45.527 45.100 0.046 0.000 0.838 310 G HN 0.241 nan 8.290 nan 0.000 0.570 311 D N 0.908 121.332 120.400 0.040 0.000 2.365 311 D HA 0.278 4.917 4.640 -0.001 0.000 0.237 311 D C -0.322 176.008 176.300 0.050 0.000 1.190 311 D CA -0.057 53.969 54.000 0.044 0.000 0.867 311 D CB 0.951 41.780 40.800 0.049 0.000 1.050 311 D HN -0.018 nan 8.370 nan 0.000 0.491 312 V N 3.657 123.580 119.914 0.016 0.000 2.540 312 V HA 0.457 4.576 4.120 -0.001 0.000 0.302 312 V C 0.320 176.374 176.094 -0.067 0.000 1.035 312 V CA -0.660 61.617 62.300 -0.039 0.000 0.873 312 V CB 2.133 33.899 31.823 -0.096 0.000 0.992 312 V HN 0.501 nan 8.190 nan 0.000 0.428 313 T N 3.708 118.212 114.554 -0.084 0.000 2.863 313 T HA 0.652 5.001 4.350 -0.001 0.000 0.285 313 T C -0.664 173.871 174.700 -0.274 0.000 1.009 313 T CA -0.480 61.548 62.100 -0.120 0.000 0.989 313 T CB 1.949 70.888 68.868 0.118 0.000 1.004 313 T HN 0.344 nan 8.240 nan 0.000 0.455 314 V N 3.719 123.422 119.914 -0.353 0.000 2.409 314 V HA 0.465 4.585 4.120 -0.001 0.000 0.291 314 V C -0.182 175.826 176.094 -0.144 0.000 1.020 314 V CA -0.806 61.309 62.300 -0.310 0.000 0.848 314 V CB 1.645 33.208 31.823 -0.432 0.000 0.990 314 V HN 0.881 nan 8.190 nan 0.000 0.430 315 M N 5.921 125.419 119.600 -0.169 0.000 2.080 315 M HA 0.549 5.028 4.480 -0.001 0.000 0.350 315 M C -1.394 174.861 176.300 -0.075 0.000 1.173 315 M CA -0.308 54.892 55.300 -0.167 0.000 1.052 315 M CB 1.043 33.439 32.600 -0.340 0.000 1.577 315 M HN 0.476 nan 8.290 nan 0.000 0.455 316 V N 6.436 126.349 119.914 -0.002 0.000 2.378 316 V HA 0.333 4.452 4.120 -0.001 0.000 0.288 316 V C 0.867 176.958 176.094 -0.005 0.000 1.016 316 V CA -0.600 61.720 62.300 0.033 0.000 0.840 316 V CB 1.324 33.213 31.823 0.111 0.000 0.994 316 V HN 0.970 nan 8.190 nan 0.000 0.431 317 R N 2.917 123.404 120.500 -0.021 0.000 2.062 317 R HA -0.110 4.229 4.340 -0.001 0.000 0.231 317 R C 1.687 177.987 176.300 -0.001 0.000 1.136 317 R CA 2.277 58.360 56.100 -0.030 0.000 0.948 317 R CB 0.245 30.528 30.300 -0.028 0.000 0.845 317 R HN 0.865 nan 8.270 nan 0.000 0.430 318 S N -0.989 114.718 115.700 0.012 0.000 3.952 318 S HA 0.212 4.681 4.470 -0.001 0.000 0.211 318 S C 0.730 175.339 174.600 0.015 0.000 1.098 318 S CA -0.253 57.957 58.200 0.017 0.000 0.954 318 S CB -0.120 63.091 63.200 0.017 0.000 1.222 318 S HN 0.351 nan 8.310 nan 0.000 0.585 319 I N -0.172 120.410 120.570 0.020 0.000 3.108 319 I HA 0.674 4.844 4.170 -0.001 0.000 0.312 319 I C -1.359 174.776 176.117 0.030 0.000 1.095 319 I CA -1.636 59.673 61.300 0.015 0.000 1.000 319 I CB 1.806 39.818 38.000 0.021 0.000 1.229 319 I HN 0.219 nan 8.210 nan 0.000 0.454 320 L N 3.363 124.597 121.223 0.017 0.000 2.357 320 L HA 0.432 4.772 4.340 -0.001 0.000 0.273 320 L C 0.060 176.981 176.870 0.085 0.000 1.080 320 L CA -1.010 53.853 54.840 0.039 0.000 0.803 320 L CB 1.144 43.197 42.059 -0.010 0.000 1.174 320 L HN 0.665 nan 8.230 nan 0.000 0.443 321 L N 1.567 122.869 121.223 0.131 0.000 3.762 321 L HA -0.228 4.112 4.340 -0.001 0.000 0.460 321 L C 0.793 177.895 176.870 0.386 0.000 1.255 321 L CA 0.203 55.200 54.840 0.260 0.000 0.783 321 L CB -1.343 40.764 42.059 0.079 0.000 1.600 321 L HN 0.712 nan 8.230 nan 0.000 0.862 322 R N 0.867 121.517 120.500 0.250 0.000 2.537 322 R HA 0.223 4.562 4.340 -0.001 0.000 0.281 322 R C 1.466 177.880 176.300 0.189 0.000 0.988 322 R CA 1.415 57.624 56.100 0.181 0.000 1.077 322 R CB 0.268 30.636 30.300 0.113 0.000 0.932 322 R HN 0.518 nan 8.270 nan 0.000 0.409 323 G N 3.416 112.282 108.800 0.110 0.000 2.308 323 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.221 323 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.221 323 G C -0.077 174.785 174.900 -0.065 0.000 1.032 323 G CA -0.105 44.985 45.100 -0.016 0.000 0.623 323 G HN 0.518 nan 8.290 nan 0.000 0.506 324 F N 2.206 122.229 119.950 0.121 0.000 2.370 324 F HA 0.467 4.994 4.527 -0.001 0.000 0.324 324 F C 0.935 176.811 175.800 0.126 0.000 1.116 324 F CA -0.363 57.742 58.000 0.174 0.000 1.123 324 F CB 0.590 39.741 39.000 0.251 0.000 1.238 324 F HN 0.024 nan 8.300 nan 0.000 0.536 325 D N 2.128 122.741 120.400 0.356 0.000 2.570 325 D HA -0.112 4.527 4.640 -0.001 0.000 0.243 325 D C 0.705 177.040 176.300 0.058 0.000 1.171 325 D CA 0.231 54.311 54.000 0.133 0.000 0.879 325 D CB 0.897 41.694 40.800 -0.004 0.000 1.143 325 D HN 0.492 nan 8.370 nan 0.000 0.511 326 Q N 2.957 122.768 119.800 0.019 0.000 2.245 326 Q HA -0.150 4.189 4.340 -0.001 0.000 0.201 326 Q C 1.688 177.646 176.000 -0.069 0.000 0.955 326 Q CA 0.719 56.517 55.803 -0.009 0.000 0.870 326 Q CB -0.070 28.668 28.738 0.000 0.000 0.945 326 Q HN 0.711 nan 8.270 nan 0.000 0.461 327 Q N -0.219 119.526 119.800 -0.091 0.000 2.050 327 Q HA -0.143 4.197 4.340 -0.001 0.000 0.202 327 Q C 1.812 177.700 176.000 -0.187 0.000 0.980 327 Q CA 1.108 56.833 55.803 -0.131 0.000 0.840 327 Q CB 0.149 28.817 28.738 -0.117 0.000 0.898 327 Q HN 0.226 nan 8.270 nan 0.000 0.424 328 M N 0.066 119.532 119.600 -0.225 0.000 2.117 328 M HA -0.104 4.375 4.480 -0.001 0.000 0.262 328 M C 2.324 178.380 176.300 -0.406 0.000 1.065 328 M CA 1.527 56.585 55.300 -0.403 0.000 1.114 328 M CB -1.505 30.651 32.600 -0.740 0.000 1.361 328 M HN 0.329 nan 8.290 nan 0.000 0.408 329 A N -0.001 122.657 122.820 -0.269 0.000 1.908 329 A HA -0.226 4.094 4.320 -0.001 0.000 0.218 329 A C 2.198 179.695 177.584 -0.145 0.000 1.181 329 A CA 2.112 54.048 52.037 -0.168 0.000 0.627 329 A CB -0.870 18.101 19.000 -0.048 0.000 0.818 329 A HN 0.605 nan 8.150 nan 0.000 0.445 330 E N -0.145 119.970 120.200 -0.141 0.000 2.077 330 E HA -0.224 4.126 4.350 -0.001 0.000 0.193 330 E C 1.974 178.495 176.600 -0.132 0.000 0.989 330 E CA 1.482 57.800 56.400 -0.137 0.000 0.800 330 E CB -0.103 29.521 29.700 -0.126 0.000 0.746 330 E HN 0.642 nan 8.360 nan 0.000 0.452 331 K N -0.033 120.278 120.400 -0.149 0.000 2.097 331 K HA -0.111 4.208 4.320 -0.001 0.000 0.206 331 K C 2.161 178.737 176.600 -0.040 0.000 1.049 331 K CA 1.222 57.442 56.287 -0.112 0.000 0.933 331 K CB -0.007 32.393 32.500 -0.167 0.000 0.717 331 K HN 0.040 nan 8.250 nan 0.000 0.442 332 V N 0.921 120.788 119.914 -0.080 0.000 2.287 332 V HA -0.220 3.900 4.120 -0.001 0.000 0.248 332 V C 2.382 178.520 176.094 0.073 0.000 1.053 332 V CA 2.301 64.597 62.300 -0.006 0.000 1.027 332 V CB -0.953 30.838 31.823 -0.053 0.000 0.646 332 V HN 0.521 nan 8.190 nan 0.000 0.447 333 G N -0.683 108.106 108.800 -0.019 0.000 2.422 333 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.218 333 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.218 333 G C 1.235 176.097 174.900 -0.064 0.000 1.146 333 G CA 0.966 46.006 45.100 -0.100 0.000 0.769 333 G HN 0.497 nan 8.290 nan 0.000 0.547 334 D N -0.564 119.813 120.400 -0.039 0.000 2.117 334 D HA -0.130 4.509 4.640 -0.001 0.000 0.197 334 D C 1.903 178.274 176.300 0.118 0.000 0.987 334 D CA 0.751 54.755 54.000 0.005 0.000 0.829 334 D CB -0.373 40.420 40.800 -0.012 0.000 0.961 334 D HN 0.394 nan 8.370 nan 0.000 0.460 335 Y N 0.817 121.161 120.300 0.074 0.000 2.145 335 Y HA -0.206 4.343 4.550 -0.001 0.000 0.286 335 Y C 2.384 178.435 175.900 0.252 0.000 1.145 335 Y CA 1.577 59.779 58.100 0.169 0.000 1.148 335 Y CB -0.178 38.360 38.460 0.131 0.000 0.981 335 Y HN -0.108 nan 8.280 nan 0.000 0.507 336 M N -0.207 119.612 119.600 0.365 0.000 2.117 336 M HA -0.240 4.239 4.480 -0.001 0.000 0.262 336 M C 2.278 178.754 176.300 0.293 0.000 1.065 336 M CA 2.169 57.673 55.300 0.339 0.000 1.114 336 M CB -0.427 32.432 32.600 0.431 0.000 1.361 336 M HN 0.324 nan 8.290 nan 0.000 0.408 337 E N 0.537 120.946 120.200 0.347 0.000 2.077 337 E HA -0.202 4.148 4.350 -0.001 0.000 0.193 337 E C 1.597 178.250 176.600 0.088 0.000 0.989 337 E CA 1.140 57.712 56.400 0.287 0.000 0.800 337 E CB 0.097 29.931 29.700 0.224 0.000 0.746 337 E HN 0.428 nan 8.360 nan 0.000 0.452 338 N N -0.025 118.673 118.700 -0.003 0.000 2.364 338 N HA -0.119 4.620 4.740 -0.001 0.000 0.183 338 N C 0.392 175.688 175.510 -0.357 0.000 1.022 338 N CA 0.979 53.923 53.050 -0.176 0.000 0.883 338 N CB -0.144 38.203 38.487 -0.233 0.000 0.965 338 N HN 0.310 nan 8.380 nan 0.000 0.438 339 H N -1.472 117.487 119.070 -0.185 0.000 2.488 339 H HA 0.391 4.946 4.556 -0.001 0.000 0.294 339 H C 1.183 176.482 175.328 -0.049 0.000 1.088 339 H CA 0.345 56.291 56.048 -0.171 0.000 1.086 339 H CB 0.198 29.773 29.762 -0.311 0.000 1.569 339 H HN 0.218 nan 8.280 nan 0.000 0.548 340 G N -0.199 108.625 108.800 0.039 0.000 2.213 340 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.236 340 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.236 340 G C 0.147 175.066 174.900 0.031 0.000 0.991 340 G CA 0.080 45.203 45.100 0.038 0.000 0.629 340 G HN 0.226 nan 8.290 nan 0.000 0.517 341 V N 2.249 122.185 119.914 0.035 0.000 2.479 341 V HA 0.290 4.409 4.120 -0.001 0.000 0.281 341 V C 0.864 176.886 176.094 -0.120 0.000 1.031 341 V CA 0.364 62.613 62.300 -0.085 0.000 1.038 341 V CB 0.994 32.733 31.823 -0.141 0.000 0.981 341 V HN 0.347 nan 8.190 nan 0.000 0.478 342 K N 4.793 125.098 120.400 -0.158 0.000 2.174 342 K HA 0.541 4.860 4.320 -0.001 0.000 0.275 342 K C -1.010 175.450 176.600 -0.233 0.000 1.015 342 K CA -0.156 56.097 56.287 -0.056 0.000 0.933 342 K CB 1.001 33.521 32.500 0.033 0.000 1.025 342 K HN 0.448 nan 8.250 nan 0.000 0.463 343 F N 0.985 120.981 119.950 0.075 0.000 2.449 343 F HA 0.338 4.864 4.527 -0.001 0.000 0.342 343 F C 0.148 176.020 175.800 0.119 0.000 1.127 343 F CA -0.871 57.170 58.000 0.070 0.000 0.975 343 F CB 1.798 40.827 39.000 0.048 0.000 1.146 343 F HN 0.483 nan 8.300 nan 0.000 0.444 344 A N 5.082 128.060 122.820 0.263 0.000 2.478 344 A HA 0.457 4.777 4.320 -0.001 0.000 0.327 344 A C -0.136 177.597 177.584 0.249 0.000 1.431 344 A CA -0.685 51.535 52.037 0.304 0.000 1.014 344 A CB -0.268 18.845 19.000 0.189 0.000 1.143 344 A HN 0.753 nan 8.150 nan 0.000 0.532 345 K N 1.476 122.061 120.400 0.308 0.000 2.144 345 K HA 0.511 4.830 4.320 -0.001 0.000 0.270 345 K C -0.116 176.622 176.600 0.229 0.000 1.005 345 K CA -0.637 55.774 56.287 0.207 0.000 0.932 345 K CB 0.840 33.426 32.500 0.144 0.000 1.021 345 K HN 0.620 nan 8.250 nan 0.000 0.462 346 L N 0.639 121.937 121.223 0.125 0.000 3.762 346 L HA -0.265 4.074 4.340 -0.001 0.000 0.460 346 L C -0.511 176.409 176.870 0.082 0.000 1.255 346 L CA -0.146 54.756 54.840 0.102 0.000 0.783 346 L CB -1.674 40.458 42.059 0.121 0.000 1.600 346 L HN 0.704 nan 8.230 nan 0.000 0.862 347 C N 0.855 120.117 119.300 -0.063 0.000 2.609 347 C HA 0.877 5.336 4.460 -0.001 0.000 0.313 347 C C 0.163 174.940 174.990 -0.354 0.000 1.175 347 C CA 0.055 58.883 59.018 -0.316 0.000 1.434 347 C CB 1.507 28.930 27.740 -0.527 0.000 2.005 347 C HN 0.330 nan 8.230 nan 0.000 0.471 348 V N 3.858 123.489 119.914 -0.473 0.000 2.823 348 V HA 0.854 4.973 4.120 -0.001 0.000 0.312 348 V C -2.788 173.081 176.094 -0.375 0.000 1.072 348 V CA -1.939 60.131 62.300 -0.383 0.000 0.937 348 V CB 1.859 33.488 31.823 -0.323 0.000 1.013 348 V HN 0.795 nan 8.190 nan 0.000 0.430 349 P HA 0.483 nan 4.420 nan 0.000 0.284 349 P C -0.766 176.528 177.300 -0.009 0.000 1.253 349 P CA -0.041 62.990 63.100 -0.114 0.000 0.800 349 P CB 1.793 33.479 31.700 -0.024 0.000 0.961 350 D N 0.694 121.130 120.400 0.061 0.000 2.463 350 D HA 0.052 4.691 4.640 -0.001 0.000 0.237 350 D C 0.454 176.818 176.300 0.106 0.000 1.013 350 D CA 0.951 55.014 54.000 0.106 0.000 0.910 350 D CB 0.951 41.844 40.800 0.155 0.000 1.080 350 D HN 0.647 nan 8.370 nan 0.000 0.498 351 E N 0.037 120.314 120.200 0.128 0.000 2.388 351 E HA 0.494 4.844 4.350 -0.001 0.000 0.280 351 E C -1.543 175.165 176.600 0.179 0.000 1.019 351 E CA -0.739 55.748 56.400 0.144 0.000 0.806 351 E CB 1.471 31.245 29.700 0.124 0.000 1.246 351 E HN -0.206 nan 8.360 nan 0.000 0.443 352 I N 1.453 122.156 120.570 0.222 0.000 2.418 352 I HA 0.384 4.554 4.170 -0.001 0.000 0.287 352 I C -0.382 175.880 176.117 0.241 0.000 1.008 352 I CA -0.458 60.989 61.300 0.245 0.000 1.104 352 I CB 1.806 40.007 38.000 0.334 0.000 1.264 352 I HN 0.450 nan 8.210 nan 0.000 0.438 353 K N 5.494 125.949 120.400 0.091 0.000 2.207 353 K HA 0.452 4.771 4.320 -0.001 0.000 0.255 353 K C -0.772 175.661 176.600 -0.279 0.000 0.941 353 K CA -0.704 55.560 56.287 -0.039 0.000 0.825 353 K CB 1.574 34.074 32.500 0.000 0.000 1.119 353 K HN 0.641 nan 8.250 nan 0.000 0.430 354 Q N 4.100 123.540 119.800 -0.600 0.000 2.286 354 Q HA 0.173 4.512 4.340 -0.001 0.000 0.257 354 Q C -0.024 175.807 176.000 -0.282 0.000 0.941 354 Q CA -0.108 55.320 55.803 -0.625 0.000 0.912 354 Q CB 0.884 29.056 28.738 -0.944 0.000 1.192 354 Q HN 0.756 nan 8.270 nan 0.000 0.410 355 L N 2.763 123.865 121.223 -0.201 0.000 2.642 355 L HA 0.391 4.731 4.340 -0.001 0.000 0.233 355 L C 0.272 177.075 176.870 -0.111 0.000 1.077 355 L CA 0.164 54.929 54.840 -0.126 0.000 0.879 355 L CB 0.495 42.496 42.059 -0.096 0.000 1.151 355 L HN 0.488 nan 8.230 nan 0.000 0.495 356 K N 0.090 120.413 120.400 -0.128 0.000 2.557 356 K HA 0.423 4.743 4.320 -0.001 0.000 0.261 356 K C -1.324 175.201 176.600 -0.124 0.000 0.932 356 K CA -0.527 55.694 56.287 -0.110 0.000 0.829 356 K CB 2.792 35.232 32.500 -0.099 0.000 1.358 356 K HN -0.304 nan 8.250 nan 0.000 0.430 357 V N 2.917 122.770 119.914 -0.102 0.000 2.732 357 V HA 0.170 4.289 4.120 -0.001 0.000 0.297 357 V C 0.319 176.323 176.094 -0.151 0.000 1.060 357 V CA -0.844 61.398 62.300 -0.096 0.000 1.038 357 V CB 1.513 33.304 31.823 -0.053 0.000 1.003 357 V HN 0.543 nan 8.190 nan 0.000 0.481 358 V N 3.198 122.989 119.914 -0.205 0.000 2.617 358 V HA -0.038 4.082 4.120 -0.001 0.000 0.304 358 V C 0.588 176.548 176.094 -0.224 0.000 1.040 358 V CA 0.310 62.398 62.300 -0.352 0.000 1.149 358 V CB 0.619 32.143 31.823 -0.499 0.000 0.914 358 V HN 0.933 nan 8.190 nan 0.000 0.487 359 D N 4.069 124.332 120.400 -0.227 0.000 2.352 359 D HA 0.080 4.719 4.640 -0.001 0.000 0.245 359 D C 1.254 177.510 176.300 -0.074 0.000 1.224 359 D CA 0.201 54.130 54.000 -0.118 0.000 0.879 359 D CB 1.409 42.153 40.800 -0.093 0.000 1.057 359 D HN 0.758 nan 8.370 nan 0.000 0.491 360 T N 0.339 114.875 114.554 -0.030 0.000 3.100 360 T HA -0.051 4.298 4.350 -0.001 0.000 0.253 360 T C 1.203 175.926 174.700 0.038 0.000 1.118 360 T CA 0.450 62.560 62.100 0.018 0.000 1.058 360 T CB 0.007 68.891 68.868 0.027 0.000 0.953 360 T HN 0.592 nan 8.240 nan 0.000 0.515 361 E N 1.208 121.425 120.200 0.027 0.000 2.330 361 E HA 0.105 4.454 4.350 -0.001 0.000 0.200 361 E C 1.309 177.938 176.600 0.049 0.000 0.922 361 E CA 0.106 56.528 56.400 0.037 0.000 0.935 361 E CB -0.298 29.418 29.700 0.027 0.000 0.917 361 E HN 0.480 nan 8.360 nan 0.000 0.491 362 N N 0.911 119.637 118.700 0.044 0.000 2.336 362 N HA 0.063 4.803 4.740 -0.001 0.000 0.189 362 N C -0.535 175.035 175.510 0.100 0.000 1.113 362 N CA -0.074 53.016 53.050 0.068 0.000 0.858 362 N CB 0.285 38.806 38.487 0.058 0.000 0.970 362 N HN 0.027 nan 8.380 nan 0.000 0.471 363 N N 1.361 120.113 118.700 0.086 0.000 2.688 363 N HA -0.177 4.562 4.740 -0.001 0.000 0.258 363 N C -1.141 174.405 175.510 0.061 0.000 1.016 363 N CA 1.169 54.295 53.050 0.127 0.000 0.747 363 N CB -0.725 37.882 38.487 0.200 0.000 0.895 363 N HN 0.437 nan 8.380 nan 0.000 0.543 364 K N 0.360 120.690 120.400 -0.117 0.000 2.318 364 K HA 0.508 4.828 4.320 -0.001 0.000 0.249 364 K C -2.268 173.998 176.600 -0.558 0.000 0.942 364 K CA -1.664 54.387 56.287 -0.392 0.000 0.808 364 K CB 2.332 34.737 32.500 -0.158 0.000 1.189 364 K HN -0.061 nan 8.250 nan 0.000 0.428 365 P HA 0.025 nan 4.420 nan 0.000 0.274 365 P C -0.167 176.863 177.300 -0.450 0.000 1.246 365 P CA -0.183 62.503 63.100 -0.690 0.000 0.795 365 P CB 0.721 32.200 31.700 -0.369 0.000 1.006 366 G N 0.131 108.694 108.800 -0.396 0.000 2.735 366 G HA2 0.467 4.427 3.960 -0.001 0.000 0.192 366 G HA3 0.467 4.427 3.960 -0.001 0.000 0.192 366 G C -1.104 173.704 174.900 -0.153 0.000 1.547 366 G CA -0.188 44.772 45.100 -0.233 0.000 1.080 366 G HN 0.535 nan 8.290 nan 0.000 0.569 367 L N -1.186 119.964 121.223 -0.120 0.000 2.513 367 L HA 0.609 4.949 4.340 -0.001 0.000 0.261 367 L C -1.636 175.181 176.870 -0.089 0.000 0.945 367 L CA -0.661 54.129 54.840 -0.084 0.000 0.848 367 L CB 2.104 44.115 42.059 -0.081 0.000 1.334 367 L HN 0.265 nan 8.230 nan 0.000 0.407 368 L N 4.211 125.412 121.223 -0.037 0.000 2.370 368 L HA 0.588 4.927 4.340 -0.001 0.000 0.266 368 L C -0.916 175.969 176.870 0.025 0.000 1.002 368 L CA -0.634 54.189 54.840 -0.029 0.000 0.818 368 L CB 1.746 43.821 42.059 0.027 0.000 1.325 368 L HN 0.586 nan 8.230 nan 0.000 0.418 369 L N 2.480 123.712 121.223 0.015 0.000 2.272 369 L HA 0.581 4.920 4.340 -0.001 0.000 0.289 369 L C -0.608 176.346 176.870 0.140 0.000 1.032 369 L CA -0.236 54.638 54.840 0.055 0.000 0.810 369 L CB 1.569 43.635 42.059 0.011 0.000 1.205 369 L HN 0.304 nan 8.230 nan 0.000 0.422 370 V N 5.505 125.569 119.914 0.250 0.000 2.370 370 V HA 0.450 4.569 4.120 -0.001 0.000 0.279 370 V C -0.035 176.270 176.094 0.352 0.000 1.029 370 V CA -0.736 61.758 62.300 0.324 0.000 0.870 370 V CB 1.230 33.327 31.823 0.457 0.000 0.984 370 V HN 0.661 nan 8.190 nan 0.000 0.451 371 K N 3.169 123.728 120.400 0.264 0.000 2.206 371 K HA 0.797 5.117 4.320 -0.001 0.000 0.264 371 K C 0.236 176.978 176.600 0.238 0.000 0.967 371 K CA -0.310 56.131 56.287 0.257 0.000 0.844 371 K CB 2.232 34.831 32.500 0.164 0.000 1.099 371 K HN 0.897 nan 8.250 nan 0.000 0.441 372 G N 1.079 110.045 108.800 0.277 0.000 2.782 372 G HA2 0.501 4.460 3.960 -0.001 0.000 0.304 372 G HA3 0.501 4.460 3.960 -0.001 0.000 0.304 372 G C -1.816 173.184 174.900 0.166 0.000 1.315 372 G CA -0.631 44.528 45.100 0.097 0.000 0.791 372 G HN 0.785 nan 8.290 nan 0.000 0.519 373 H N -2.387 116.651 119.070 -0.054 0.000 3.038 373 H HA 0.676 5.231 4.556 -0.001 0.000 0.362 373 H C -1.874 173.393 175.328 -0.102 0.000 1.167 373 H CA -1.052 54.990 56.048 -0.011 0.000 1.197 373 H CB 0.965 30.760 29.762 0.055 0.000 1.840 373 H HN 0.483 nan 8.280 nan 0.000 0.540 374 Y N 0.558 120.956 120.300 0.162 0.000 2.300 374 Y HA 0.154 4.704 4.550 -0.001 0.000 0.328 374 Y C 2.120 178.112 175.900 0.154 0.000 1.270 374 Y CA 0.312 58.470 58.100 0.098 0.000 1.352 374 Y CB 1.346 39.874 38.460 0.114 0.000 1.286 374 Y HN 0.946 nan 8.280 nan 0.000 0.536 375 T N -3.094 111.618 114.554 0.262 0.000 2.929 375 T HA -0.209 4.141 4.350 -0.001 0.000 0.271 375 T C 0.982 175.788 174.700 0.176 0.000 1.085 375 T CA 1.444 63.662 62.100 0.196 0.000 1.125 375 T CB -0.371 68.573 68.868 0.127 0.000 0.874 375 T HN 0.753 nan 8.240 nan 0.000 0.494 376 D N 1.000 121.509 120.400 0.182 0.000 2.363 376 D HA 0.209 4.849 4.640 -0.001 0.000 0.226 376 D C 1.701 178.077 176.300 0.126 0.000 1.020 376 D CA 0.675 54.747 54.000 0.120 0.000 0.892 376 D CB -0.763 40.079 40.800 0.070 0.000 0.900 376 D HN 0.615 nan 8.370 nan 0.000 0.531 377 G N -0.295 108.615 108.800 0.183 0.000 2.213 377 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.236 377 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.236 377 G C 0.246 175.252 174.900 0.176 0.000 0.991 377 G CA -0.016 45.173 45.100 0.148 0.000 0.629 377 G HN 0.320 nan 8.290 nan 0.000 0.517 378 K N 1.093 121.628 120.400 0.225 0.000 2.295 378 K HA 0.367 4.686 4.320 -0.001 0.000 0.270 378 K C 0.570 177.395 176.600 0.375 0.000 1.011 378 K CA -0.104 56.329 56.287 0.242 0.000 0.953 378 K CB 0.697 33.298 32.500 0.169 0.000 0.956 378 K HN 0.142 nan 8.250 nan 0.000 0.477 379 K N 1.856 122.423 120.400 0.278 0.000 2.218 379 K HA 0.212 4.532 4.320 -0.001 0.000 0.276 379 K C -0.172 176.627 176.600 0.331 0.000 1.022 379 K CA -0.449 56.000 56.287 0.270 0.000 0.946 379 K CB 0.407 33.005 32.500 0.163 0.000 1.000 379 K HN 0.422 nan 8.250 nan 0.000 0.468 380 F N 1.763 121.780 119.950 0.110 0.000 2.415 380 F HA 0.223 4.750 4.527 -0.001 0.000 0.348 380 F C -0.100 175.741 175.800 0.069 0.000 1.119 380 F CA -0.416 57.619 58.000 0.059 0.000 1.069 380 F CB 0.972 39.863 39.000 -0.182 0.000 1.124 380 F HN 0.511 nan 8.300 nan 0.000 0.472 381 E N 5.755 125.760 120.200 -0.325 0.000 2.378 381 E HA 0.222 4.571 4.350 -0.001 0.000 0.282 381 E C -1.733 174.645 176.600 -0.370 0.000 0.910 381 E CA -0.382 55.904 56.400 -0.189 0.000 0.816 381 E CB 1.119 30.787 29.700 -0.052 0.000 1.359 381 E HN 0.820 nan 8.360 nan 0.000 0.397 382 E N 3.092 123.098 120.200 -0.325 0.000 2.366 382 E HA 0.249 4.599 4.350 -0.001 0.000 0.278 382 E C -1.308 175.099 176.600 -0.323 0.000 0.923 382 E CA -0.620 55.538 56.400 -0.403 0.000 0.761 382 E CB 1.636 30.970 29.700 -0.610 0.000 1.231 382 E HN 0.381 nan 8.360 nan 0.000 0.443 383 E N 2.378 122.303 120.200 -0.459 0.000 2.259 383 E HA 0.367 4.716 4.350 -0.001 0.000 0.281 383 E C -1.089 175.127 176.600 -0.641 0.000 1.027 383 E CA -0.164 56.027 56.400 -0.348 0.000 0.838 383 E CB 0.983 30.547 29.700 -0.227 0.000 1.066 383 E HN 0.209 nan 8.360 nan 0.000 0.401 384 F N 0.550 120.484 119.950 -0.026 0.000 2.578 384 F HA 0.211 4.737 4.527 -0.001 0.000 0.311 384 F C 1.218 176.988 175.800 -0.049 0.000 1.094 384 F CA -0.670 57.311 58.000 -0.031 0.000 0.923 384 F CB 1.733 40.717 39.000 -0.026 0.000 1.230 384 F HN 0.446 nan 8.300 nan 0.000 0.450 385 E N 0.171 120.449 120.200 0.130 0.000 2.152 385 E HA 0.014 4.363 4.350 -0.001 0.000 0.192 385 E C -0.125 176.492 176.600 0.029 0.000 0.983 385 E CA 0.959 57.380 56.400 0.035 0.000 0.818 385 E CB 0.253 29.959 29.700 0.011 0.000 0.758 385 E HN 0.460 nan 8.360 nan 0.000 0.467 386 T N 0.429 115.015 114.554 0.053 0.000 2.916 386 T HA 0.406 4.755 4.350 -0.001 0.000 0.298 386 T C -0.979 173.667 174.700 -0.090 0.000 1.031 386 T CA -0.606 61.492 62.100 -0.002 0.000 0.993 386 T CB 2.509 71.360 68.868 -0.029 0.000 1.045 386 T HN -0.248 nan 8.240 nan 0.000 0.454 387 V N 4.269 124.093 119.914 -0.151 0.000 2.444 387 V HA 0.547 4.666 4.120 -0.001 0.000 0.294 387 V C -0.481 175.341 176.094 -0.452 0.000 1.022 387 V CA -0.756 61.332 62.300 -0.353 0.000 0.850 387 V CB 1.369 32.972 31.823 -0.366 0.000 0.992 387 V HN 0.766 nan 8.190 nan 0.000 0.426 388 I N 4.914 125.182 120.570 -0.503 0.000 2.378 388 I HA 0.465 4.634 4.170 -0.001 0.000 0.291 388 I C -0.923 174.886 176.117 -0.514 0.000 0.992 388 I CA -0.348 60.698 61.300 -0.424 0.000 1.154 388 I CB 1.538 39.362 38.000 -0.293 0.000 1.315 388 I HN 0.388 nan 8.210 nan 0.000 0.448 389 F N 4.794 124.627 119.950 -0.195 0.000 2.411 389 F HA 0.526 5.052 4.527 -0.001 0.000 0.355 389 F C 0.671 176.336 175.800 -0.225 0.000 1.117 389 F CA -0.520 57.345 58.000 -0.224 0.000 1.139 389 F CB 1.411 40.228 39.000 -0.305 0.000 1.120 389 F HN 0.474 nan 8.300 nan 0.000 0.493 390 A N 3.012 125.828 122.820 -0.006 0.000 3.258 390 A HA 0.531 4.850 4.320 -0.001 0.000 0.318 390 A C -0.055 177.507 177.584 -0.035 0.000 0.990 390 A CA -0.377 51.627 52.037 -0.056 0.000 0.885 390 A CB -0.142 18.803 19.000 -0.093 0.000 1.090 390 A HN 0.712 nan 8.150 nan 0.000 0.479 391 V N -1.578 118.321 119.914 -0.025 0.000 3.043 391 V HA 0.671 4.791 4.120 -0.001 0.000 0.357 391 V C 0.590 176.671 176.094 -0.022 0.000 1.372 391 V CA 0.136 62.425 62.300 -0.018 0.000 1.214 391 V CB -0.913 30.901 31.823 -0.014 0.000 1.224 391 V HN 1.930 nan 8.190 nan 0.000 0.507 392 G N 0.755 109.538 108.800 -0.028 0.000 2.541 392 G HA2 0.029 3.988 3.960 -0.001 0.000 0.686 392 G HA3 0.029 3.988 3.960 -0.001 0.000 0.686 392 G C -0.799 174.095 174.900 -0.010 0.000 1.286 392 G CA -0.678 44.415 45.100 -0.012 0.000 0.894 392 G HN 0.609 nan 8.290 nan 0.000 0.575 393 R N -0.068 120.440 120.500 0.013 0.000 2.837 393 R HA 0.687 5.027 4.340 -0.001 0.000 0.271 393 R C -0.493 175.829 176.300 0.037 0.000 0.993 393 R CA -0.701 55.416 56.100 0.029 0.000 0.931 393 R CB 2.193 32.519 30.300 0.042 0.000 1.206 393 R HN 0.874 nan 8.270 nan 0.000 0.474 394 E N 1.349 121.576 120.200 0.045 0.000 2.331 394 E HA 0.465 4.814 4.350 -0.001 0.000 0.275 394 E C -2.830 173.799 176.600 0.048 0.000 0.895 394 E CA -2.368 54.057 56.400 0.042 0.000 0.753 394 E CB 2.578 32.300 29.700 0.038 0.000 1.216 394 E HN 0.172 nan 8.360 nan 0.000 0.434 395 P HA 0.026 nan 4.420 nan 0.000 0.272 395 P C -0.741 176.584 177.300 0.041 0.000 1.230 395 P CA -0.217 62.908 63.100 0.042 0.000 0.788 395 P CB 0.614 32.333 31.700 0.032 0.000 0.949 396 Q N 0.974 120.800 119.800 0.044 0.000 2.719 396 Q HA 0.269 4.608 4.340 -0.001 0.000 0.376 396 Q C 0.827 176.850 176.000 0.038 0.000 0.856 396 Q CA -0.156 55.673 55.803 0.042 0.000 1.038 396 Q CB 0.070 28.838 28.738 0.051 0.000 1.418 396 Q HN 0.365 nan 8.270 nan 0.000 0.395 397 L N -0.163 121.078 121.223 0.030 0.000 2.552 397 L HA -0.088 4.252 4.340 -0.001 0.000 0.227 397 L C 2.156 179.038 176.870 0.020 0.000 1.146 397 L CA 0.901 55.756 54.840 0.025 0.000 0.858 397 L CB -0.045 42.025 42.059 0.019 0.000 0.969 397 L HN 0.401 nan 8.230 nan 0.000 0.451 398 S N -0.689 115.022 115.700 0.019 0.000 2.474 398 S HA -0.139 4.330 4.470 -0.001 0.000 0.235 398 S C 1.711 176.322 174.600 0.017 0.000 0.997 398 S CA 0.604 58.813 58.200 0.015 0.000 0.949 398 S CB -0.168 63.040 63.200 0.012 0.000 0.766 398 S HN 0.436 nan 8.310 nan 0.000 0.517 399 K N 0.353 120.769 120.400 0.027 0.000 2.426 399 K HA 0.262 4.581 4.320 -0.001 0.000 0.193 399 K C 0.920 177.540 176.600 0.033 0.000 1.028 399 K CA 0.418 56.725 56.287 0.033 0.000 1.047 399 K CB 0.374 32.906 32.500 0.053 0.000 0.821 399 K HN 0.313 nan 8.250 nan 0.000 0.513 400 V N 0.007 119.939 119.914 0.029 0.000 3.473 400 V HA 0.144 4.263 4.120 -0.001 0.000 0.253 400 V C -0.340 175.763 176.094 0.016 0.000 1.340 400 V CA -0.019 62.297 62.300 0.027 0.000 1.103 400 V CB 0.557 32.401 31.823 0.035 0.000 0.881 400 V HN 0.068 nan 8.190 nan 0.000 0.451 401 L N 0.553 121.783 121.223 0.011 0.000 2.376 401 L HA 0.574 4.913 4.340 -0.001 0.000 0.275 401 L C -0.475 176.396 176.870 0.002 0.000 0.987 401 L CA -0.334 54.508 54.840 0.004 0.000 0.828 401 L CB 1.328 43.388 42.059 0.002 0.000 1.249 401 L HN 0.250 nan 8.230 nan 0.000 0.409 402 C N 3.713 123.012 119.300 -0.001 0.000 2.637 402 C HA 0.178 4.637 4.460 -0.001 0.000 0.418 402 C C 1.711 176.699 174.990 -0.004 0.000 1.319 402 C CA -0.201 58.817 59.018 -0.001 0.000 1.949 402 C CB -0.082 27.659 27.740 0.000 0.000 2.639 402 C HN 1.014 nan 8.230 nan 0.000 0.594 403 E N 1.461 121.659 120.200 -0.003 0.000 2.204 403 E HA -0.164 4.185 4.350 -0.001 0.000 0.195 403 E C 1.951 178.548 176.600 -0.006 0.000 0.990 403 E CA 1.763 58.161 56.400 -0.005 0.000 0.821 403 E CB 0.051 29.749 29.700 -0.003 0.000 0.750 403 E HN 0.986 nan 8.360 nan 0.000 0.477 404 T N -1.991 112.561 114.554 -0.004 0.000 3.085 404 T HA 0.005 4.354 4.350 -0.001 0.000 0.263 404 T C 1.910 176.606 174.700 -0.006 0.000 1.127 404 T CA 0.259 62.357 62.100 -0.003 0.000 1.103 404 T CB -0.034 68.835 68.868 0.001 0.000 0.921 404 T HN -0.065 nan 8.240 nan 0.000 0.510 405 V N 1.378 121.286 119.914 -0.011 0.000 2.427 405 V HA 0.200 4.319 4.120 -0.001 0.000 0.248 405 V C 2.328 178.406 176.094 -0.027 0.000 1.051 405 V CA 1.524 63.812 62.300 -0.019 0.000 1.048 405 V CB -1.349 30.459 31.823 -0.025 0.000 0.666 405 V HN 0.833 nan 8.190 nan 0.000 0.456 406 G N -0.393 108.393 108.800 -0.024 0.000 2.135 406 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.183 406 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.183 406 G C -0.019 174.859 174.900 -0.036 0.000 1.004 406 G CA -0.086 44.998 45.100 -0.027 0.000 0.677 406 G HN 0.417 nan 8.290 nan 0.000 0.512 407 V N 1.445 121.337 119.914 -0.037 0.000 2.427 407 V HA 0.340 4.459 4.120 -0.001 0.000 0.268 407 V C 0.989 177.064 176.094 -0.032 0.000 1.046 407 V CA -0.244 62.031 62.300 -0.042 0.000 0.970 407 V CB 1.457 33.255 31.823 -0.041 0.000 1.001 407 V HN 0.406 nan 8.190 nan 0.000 0.476 408 K N 5.717 126.097 120.400 -0.034 0.000 2.322 408 K HA 0.488 4.807 4.320 -0.001 0.000 0.283 408 K C -0.940 175.646 176.600 -0.023 0.000 1.042 408 K CA -0.370 55.901 56.287 -0.027 0.000 0.958 408 K CB 0.489 32.972 32.500 -0.028 0.000 0.984 408 K HN 0.592 nan 8.250 nan 0.000 0.473 409 L N 3.292 124.505 121.223 -0.017 0.000 2.330 409 L HA 0.330 4.670 4.340 -0.001 0.000 0.271 409 L C 0.130 176.992 176.870 -0.013 0.000 1.013 409 L CA -1.235 53.597 54.840 -0.013 0.000 0.816 409 L CB 1.574 43.628 42.059 -0.008 0.000 1.287 409 L HN 0.811 nan 8.230 nan 0.000 0.435 410 D N 0.406 120.798 120.400 -0.012 0.000 2.447 410 D HA 0.067 4.706 4.640 -0.001 0.000 0.265 410 D C 0.785 177.081 176.300 -0.007 0.000 1.250 410 D CA -0.605 53.388 54.000 -0.012 0.000 1.046 410 D CB 0.550 41.341 40.800 -0.015 0.000 1.095 410 D HN 0.582 nan 8.370 nan 0.000 0.555 411 K N -0.468 119.928 120.400 -0.007 0.000 2.280 411 K HA -0.153 4.166 4.320 -0.001 0.000 0.202 411 K C 0.791 177.390 176.600 -0.001 0.000 1.047 411 K CA 1.354 57.639 56.287 -0.004 0.000 0.942 411 K CB -0.620 31.878 32.500 -0.004 0.000 0.739 411 K HN 0.366 nan 8.250 nan 0.000 0.457 412 N N 0.149 118.848 118.700 -0.001 0.000 2.336 412 N HA 0.078 4.818 4.740 -0.001 0.000 0.189 412 N C 0.406 175.920 175.510 0.006 0.000 1.113 412 N CA 0.258 53.310 53.050 0.003 0.000 0.858 412 N CB 0.876 39.365 38.487 0.003 0.000 0.970 412 N HN 0.469 nan 8.380 nan 0.000 0.471 413 G N 1.060 109.862 108.800 0.003 0.000 2.141 413 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.242 413 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.242 413 G C 0.035 174.938 174.900 0.006 0.000 0.982 413 G CA -0.280 44.823 45.100 0.005 0.000 0.662 413 G HN 0.235 nan 8.290 nan 0.000 0.527 414 R N -0.559 119.942 120.500 0.002 0.000 2.532 414 R HA 0.569 4.908 4.340 -0.001 0.000 0.272 414 R C 0.362 176.657 176.300 -0.008 0.000 1.032 414 R CA -0.688 55.411 56.100 -0.000 0.000 1.089 414 R CB 1.480 31.778 30.300 -0.003 0.000 1.098 414 R HN 0.072 nan 8.270 nan 0.000 0.526 415 V N 2.661 122.570 119.914 -0.009 0.000 2.508 415 V HA 0.066 4.185 4.120 -0.001 0.000 0.281 415 V C 0.278 176.356 176.094 -0.026 0.000 1.041 415 V CA -0.446 61.845 62.300 -0.015 0.000 1.016 415 V CB 1.239 33.056 31.823 -0.010 0.000 0.984 415 V HN 0.422 nan 8.190 nan 0.000 0.478 416 V N 5.005 124.901 119.914 -0.030 0.000 2.427 416 V HA 0.199 4.319 4.120 -0.001 0.000 0.268 416 V C 0.260 176.330 176.094 -0.040 0.000 1.046 416 V CA -0.068 62.210 62.300 -0.036 0.000 0.970 416 V CB 0.468 32.272 31.823 -0.032 0.000 1.001 416 V HN 1.033 nan 8.190 nan 0.000 0.476 417 C N 3.695 122.970 119.300 -0.041 0.000 2.667 417 C HA 0.721 5.181 4.460 -0.001 0.000 0.323 417 C C 0.992 175.967 174.990 -0.025 0.000 1.214 417 C CA -0.625 58.373 59.018 -0.034 0.000 1.721 417 C CB 1.923 29.653 27.740 -0.017 0.000 2.275 417 C HN 0.964 nan 8.230 nan 0.000 0.491 418 T N -1.348 113.200 114.554 -0.009 0.000 2.698 418 T HA 0.116 4.466 4.350 -0.001 0.000 0.295 418 T C 0.546 175.273 174.700 0.044 0.000 1.007 418 T CA 0.045 62.154 62.100 0.014 0.000 0.980 418 T CB 0.348 69.230 68.868 0.023 0.000 1.036 418 T HN 0.619 nan 8.240 nan 0.000 0.526 419 D N 0.512 120.950 120.400 0.063 0.000 2.378 419 D HA 0.001 4.640 4.640 -0.001 0.000 0.227 419 D C 1.045 177.438 176.300 0.156 0.000 1.012 419 D CA 0.679 54.743 54.000 0.107 0.000 0.905 419 D CB -0.134 40.725 40.800 0.099 0.000 0.895 419 D HN 0.793 nan 8.370 nan 0.000 0.532 420 D N -0.348 120.139 120.400 0.144 0.000 2.559 420 D HA 0.041 4.681 4.640 -0.001 0.000 0.234 420 D C 0.028 176.475 176.300 0.245 0.000 1.226 420 D CA -0.195 53.912 54.000 0.178 0.000 0.830 420 D CB 0.254 41.146 40.800 0.153 0.000 1.028 420 D HN -0.197 nan 8.370 nan 0.000 0.492 421 E N -0.756 119.571 120.200 0.211 0.000 3.673 421 E HA -0.253 4.096 4.350 -0.001 0.000 0.309 421 E C -0.013 176.726 176.600 0.230 0.000 0.819 421 E CA 0.751 57.289 56.400 0.229 0.000 1.111 421 E CB -1.887 27.972 29.700 0.265 0.000 1.561 421 E HN 0.608 nan 8.360 nan 0.000 0.450 422 Q N 1.096 120.955 119.800 0.098 0.000 2.304 422 Q HA 0.258 4.597 4.340 -0.001 0.000 0.260 422 Q C 0.580 176.447 176.000 -0.220 0.000 0.965 422 Q CA 0.582 56.198 55.803 -0.311 0.000 0.898 422 Q CB 0.712 29.294 28.738 -0.261 0.000 1.196 422 Q HN 0.326 nan 8.270 nan 0.000 0.402 423 T N -0.332 114.047 114.554 -0.292 0.000 2.771 423 T HA 0.110 4.459 4.350 -0.001 0.000 0.290 423 T C 1.286 175.891 174.700 -0.159 0.000 1.005 423 T CA 0.081 62.079 62.100 -0.170 0.000 0.944 423 T CB 0.678 69.462 68.868 -0.141 0.000 1.147 423 T HN 0.734 nan 8.240 nan 0.000 0.534 424 T N -1.738 112.751 114.554 -0.108 0.000 3.072 424 T HA 0.109 4.458 4.350 -0.001 0.000 0.266 424 T C 0.670 175.313 174.700 -0.095 0.000 1.127 424 T CA -0.018 62.030 62.100 -0.086 0.000 1.107 424 T CB -0.455 68.379 68.868 -0.058 0.000 0.910 424 T HN 0.420 nan 8.240 nan 0.000 0.513 425 V N 2.438 122.278 119.914 -0.123 0.000 2.350 425 V HA 0.260 4.380 4.120 -0.001 0.000 0.276 425 V C 1.106 177.084 176.094 -0.194 0.000 1.028 425 V CA -0.488 61.732 62.300 -0.132 0.000 0.860 425 V CB 1.239 32.987 31.823 -0.126 0.000 0.990 425 V HN 0.338 nan 8.190 nan 0.000 0.453 426 S N 3.358 118.964 115.700 -0.157 0.000 2.442 426 S HA -0.130 4.340 4.470 -0.001 0.000 0.236 426 S C 1.691 176.166 174.600 -0.207 0.000 1.007 426 S CA 1.424 59.519 58.200 -0.176 0.000 0.965 426 S CB -0.230 62.926 63.200 -0.073 0.000 0.773 426 S HN 0.969 nan 8.310 nan 0.000 0.504 427 N N 0.923 119.534 118.700 -0.148 0.000 2.336 427 N HA 0.015 4.754 4.740 -0.001 0.000 0.189 427 N C -0.154 175.336 175.510 -0.032 0.000 1.113 427 N CA 0.130 53.162 53.050 -0.031 0.000 0.858 427 N CB 0.127 38.586 38.487 -0.047 0.000 0.970 427 N HN 0.176 nan 8.380 nan 0.000 0.471 428 V N 1.578 121.351 119.914 -0.235 0.000 2.435 428 V HA 0.398 4.517 4.120 -0.001 0.000 0.290 428 V C -1.028 174.868 176.094 -0.331 0.000 1.030 428 V CA -0.679 61.534 62.300 -0.146 0.000 0.881 428 V CB 0.702 32.447 31.823 -0.131 0.000 0.983 428 V HN 0.040 nan 8.190 nan 0.000 0.445 429 Y N 1.916 122.206 120.300 -0.016 0.000 2.536 429 Y HA 0.810 5.359 4.550 -0.002 0.000 0.347 429 Y C 0.250 176.155 175.900 0.008 0.000 1.000 429 Y CA -0.833 57.266 58.100 -0.001 0.000 1.051 429 Y CB 2.293 40.756 38.460 0.006 0.000 1.259 429 Y HN 0.695 nan 8.280 nan 0.000 0.468 430 A N 3.109 126.022 122.820 0.155 0.000 2.393 430 A HA 0.878 5.197 4.320 -0.001 0.000 0.306 430 A C -1.103 176.546 177.584 0.108 0.000 1.050 430 A CA -0.624 51.474 52.037 0.100 0.000 0.724 430 A CB 0.718 19.746 19.000 0.046 0.000 1.248 430 A HN 0.740 nan 8.150 nan 0.000 0.424 431 I N -0.853 119.774 120.570 0.095 0.000 3.074 431 I HA 0.946 5.115 4.170 -0.001 0.000 0.310 431 I C 0.495 176.658 176.117 0.077 0.000 1.153 431 I CA -0.296 61.063 61.300 0.098 0.000 0.993 431 I CB 2.026 40.086 38.000 0.101 0.000 1.237 431 I HN 1.754 nan 8.210 nan 0.000 0.443 432 G N 2.986 111.837 108.800 0.086 0.000 2.542 432 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.235 432 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.235 432 G C 0.037 174.974 174.900 0.061 0.000 1.286 432 G CA 0.556 45.699 45.100 0.072 0.000 0.904 432 G HN 0.806 nan 8.290 nan 0.000 0.577 433 D N 0.438 120.873 120.400 0.058 0.000 2.221 433 D HA -0.087 4.552 4.640 -0.001 0.000 0.204 433 D C 2.470 178.794 176.300 0.039 0.000 0.982 433 D CA 1.626 55.659 54.000 0.054 0.000 0.857 433 D CB -0.235 40.605 40.800 0.066 0.000 0.934 433 D HN 0.738 nan 8.370 nan 0.000 0.475 434 I N -2.214 118.379 120.570 0.038 0.000 3.251 434 I HA 0.028 4.197 4.170 -0.001 0.000 0.277 434 I C 0.618 176.742 176.117 0.011 0.000 1.268 434 I CA -0.020 61.296 61.300 0.027 0.000 1.449 434 I CB -0.209 37.810 38.000 0.032 0.000 1.083 434 I HN -0.263 nan 8.210 nan 0.000 0.464 435 N N 3.299 122.002 118.700 0.005 0.000 2.399 435 N HA 0.220 4.959 4.740 -0.001 0.000 0.259 435 N C -0.074 175.401 175.510 -0.058 0.000 1.160 435 N CA 0.213 53.248 53.050 -0.026 0.000 0.946 435 N CB 0.936 39.405 38.487 -0.029 0.000 1.156 435 N HN 0.404 nan 8.380 nan 0.000 0.489 436 A N 2.570 125.357 122.820 -0.054 0.000 2.546 436 A HA 0.420 4.739 4.320 -0.001 0.000 0.243 436 A C 1.462 178.991 177.584 -0.091 0.000 1.063 436 A CA 0.600 52.604 52.037 -0.056 0.000 0.757 436 A CB -0.478 18.496 19.000 -0.043 0.000 0.991 436 A HN 1.101 nan 8.150 nan 0.000 0.503 437 G N 1.655 110.407 108.800 -0.080 0.000 2.199 437 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.254 437 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.254 437 G C 0.257 175.076 174.900 -0.134 0.000 0.982 437 G CA 0.552 45.594 45.100 -0.096 0.000 0.632 437 G HN 0.754 nan 8.290 nan 0.000 0.529 438 K N 0.985 121.284 120.400 -0.167 0.000 2.118 438 K HA 0.545 4.864 4.320 -0.001 0.000 0.267 438 K C -2.451 174.122 176.600 -0.045 0.000 0.991 438 K CA -2.313 53.851 56.287 -0.205 0.000 0.916 438 K CB 0.670 32.963 32.500 -0.345 0.000 1.041 438 K HN 0.033 nan 8.250 nan 0.000 0.455 439 P HA 0.035 nan 4.420 nan 0.000 0.263 439 P C -0.684 176.653 177.300 0.063 0.000 1.195 439 P CA 0.150 63.276 63.100 0.043 0.000 0.762 439 P CB 0.302 32.042 31.700 0.067 0.000 0.799 440 Q N 2.895 122.731 119.800 0.060 0.000 2.835 440 Q HA 0.342 4.681 4.340 -0.001 0.000 0.235 440 Q C -0.483 175.574 176.000 0.094 0.000 1.313 440 Q CA -0.033 55.820 55.803 0.084 0.000 1.053 440 Q CB -0.127 28.673 28.738 0.103 0.000 1.443 440 Q HN 0.429 nan 8.270 nan 0.000 0.576 441 L N -0.687 120.580 121.223 0.074 0.000 2.393 441 L HA 0.368 4.707 4.340 -0.001 0.000 0.260 441 L C 1.121 178.021 176.870 0.049 0.000 1.002 441 L CA -0.640 54.235 54.840 0.058 0.000 0.818 441 L CB 1.953 44.030 42.059 0.031 0.000 1.369 441 L HN 0.204 nan 8.230 nan 0.000 0.412 442 T N 0.630 115.209 114.554 0.042 0.000 2.674 442 T HA -0.063 4.286 4.350 -0.001 0.000 0.265 442 T C -1.149 173.557 174.700 0.011 0.000 1.039 442 T CA 1.827 63.943 62.100 0.027 0.000 1.150 442 T CB -0.549 68.332 68.868 0.022 0.000 0.864 442 T HN 0.477 nan 8.240 nan 0.000 0.427 443 P HA 0.037 nan 4.420 nan 0.000 0.220 443 P C 1.521 178.790 177.300 -0.051 0.000 1.148 443 P CA 0.454 63.540 63.100 -0.023 0.000 0.803 443 P CB -0.168 31.517 31.700 -0.025 0.000 0.782 444 V N 0.485 120.382 119.914 -0.028 0.000 2.307 444 V HA -0.241 3.878 4.120 -0.001 0.000 0.245 444 V C 2.525 178.616 176.094 -0.006 0.000 1.045 444 V CA 2.260 64.543 62.300 -0.030 0.000 1.024 444 V CB -1.730 30.130 31.823 0.062 0.000 0.651 444 V HN 0.102 nan 8.190 nan 0.000 0.449 445 A N -0.079 122.759 122.820 0.030 0.000 1.908 445 A HA -0.198 4.121 4.320 -0.001 0.000 0.218 445 A C 2.188 179.777 177.584 0.007 0.000 1.181 445 A CA 2.074 54.134 52.037 0.037 0.000 0.627 445 A CB -0.577 18.446 19.000 0.037 0.000 0.818 445 A HN 0.516 nan 8.150 nan 0.000 0.445 446 I N -1.108 119.453 120.570 -0.014 0.000 2.202 446 I HA -0.281 3.889 4.170 -0.001 0.000 0.242 446 I C 2.789 178.875 176.117 -0.052 0.000 1.091 446 I CA 1.834 63.123 61.300 -0.019 0.000 1.368 446 I CB -0.318 37.674 38.000 -0.013 0.000 1.058 446 I HN 0.443 nan 8.210 nan 0.000 0.410 447 Q N 1.087 120.805 119.800 -0.136 0.000 2.084 447 Q HA -0.196 4.144 4.340 -0.001 0.000 0.202 447 Q C 2.205 178.032 176.000 -0.289 0.000 0.978 447 Q CA 2.219 57.833 55.803 -0.315 0.000 0.844 447 Q CB -0.222 28.230 28.738 -0.477 0.000 0.898 447 Q HN 0.500 nan 8.270 nan 0.000 0.426 448 A N -0.056 122.666 122.820 -0.162 0.000 1.883 448 A HA -0.123 4.197 4.320 -0.001 0.000 0.217 448 A C 2.307 179.918 177.584 0.046 0.000 1.186 448 A CA 1.788 53.806 52.037 -0.032 0.000 0.624 448 A CB -1.571 17.483 19.000 0.090 0.000 0.822 448 A HN 0.584 nan 8.150 nan 0.000 0.444 449 G N -0.841 107.984 108.800 0.043 0.000 2.421 449 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.216 449 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.216 449 G C 1.795 176.753 174.900 0.097 0.000 1.171 449 G CA 0.936 46.074 45.100 0.064 0.000 0.775 449 G HN 0.558 nan 8.290 nan 0.000 0.543 450 R N -1.087 119.481 120.500 0.114 0.000 2.066 450 R HA -0.047 4.293 4.340 -0.001 0.000 0.232 450 R C 2.397 178.863 176.300 0.278 0.000 1.131 450 R CA 1.277 57.490 56.100 0.188 0.000 0.955 450 R CB -0.457 29.961 30.300 0.197 0.000 0.851 450 R HN 0.380 nan 8.270 nan 0.000 0.432 451 Y N 0.700 121.007 120.300 0.011 0.000 2.200 451 Y HA -0.172 4.377 4.550 -0.001 0.000 0.290 451 Y C 2.122 178.007 175.900 -0.026 0.000 1.137 451 Y CA 0.598 58.693 58.100 -0.008 0.000 1.163 451 Y CB -0.683 37.760 38.460 -0.028 0.000 0.988 451 Y HN 0.037 nan 8.280 nan 0.000 0.518 452 L N 0.279 121.578 121.223 0.128 0.000 2.017 452 L HA -0.137 4.202 4.340 -0.001 0.000 0.208 452 L C 2.372 179.193 176.870 -0.081 0.000 1.073 452 L CA 2.177 57.003 54.840 -0.023 0.000 0.745 452 L CB -1.218 40.809 42.059 -0.053 0.000 0.894 452 L HN 0.098 nan 8.230 nan 0.000 0.432 453 A N -0.411 122.432 122.820 0.040 0.000 1.940 453 A HA -0.239 4.081 4.320 -0.001 0.000 0.219 453 A C 2.421 180.082 177.584 0.129 0.000 1.176 453 A CA 1.947 54.078 52.037 0.156 0.000 0.631 453 A CB -0.582 18.582 19.000 0.272 0.000 0.814 453 A HN 0.551 nan 8.150 nan 0.000 0.446 454 R N -0.907 119.628 120.500 0.059 0.000 2.092 454 R HA -0.042 4.297 4.340 -0.001 0.000 0.231 454 R C 2.475 178.659 176.300 -0.194 0.000 1.119 454 R CA 1.340 57.375 56.100 -0.108 0.000 0.970 454 R CB -0.259 29.984 30.300 -0.096 0.000 0.864 454 R HN 0.491 nan 8.270 nan 0.000 0.440 455 R N 0.495 120.900 120.500 -0.157 0.000 2.075 455 R HA -0.072 4.267 4.340 -0.001 0.000 0.232 455 R C 2.335 178.469 176.300 -0.276 0.000 1.126 455 R CA 1.181 57.179 56.100 -0.171 0.000 0.963 455 R CB -0.356 29.871 30.300 -0.122 0.000 0.858 455 R HN 0.201 nan 8.270 nan 0.000 0.435 456 L N -0.785 120.183 121.223 -0.426 0.000 2.056 456 L HA -0.117 4.222 4.340 -0.001 0.000 0.207 456 L C 1.453 177.870 176.870 -0.755 0.000 1.078 456 L CA 1.321 55.709 54.840 -0.754 0.000 0.749 456 L CB -0.075 41.217 42.059 -1.277 0.000 0.901 456 L HN 0.126 nan 8.230 nan 0.000 0.433 457 F N -1.961 117.903 119.950 -0.143 0.000 2.728 457 F HA 0.325 4.851 4.527 -0.002 0.000 0.314 457 F C 1.497 177.121 175.800 -0.294 0.000 1.094 457 F CA 0.184 58.106 58.000 -0.129 0.000 1.217 457 F CB 0.054 39.067 39.000 0.021 0.000 1.056 457 F HN -0.128 nan 8.300 nan 0.000 0.577 458 A N -0.632 121.985 122.820 -0.339 0.000 2.585 458 A HA 0.579 4.898 4.320 -0.001 0.000 0.266 458 A C 1.676 179.093 177.584 -0.279 0.000 1.178 458 A CA 0.385 52.117 52.037 -0.508 0.000 0.966 458 A CB -0.569 17.753 19.000 -1.130 0.000 1.170 458 A HN 0.493 nan 8.150 nan 0.000 0.558 459 G N -0.611 108.063 108.800 -0.210 0.000 2.153 459 G HA2 0.057 4.017 3.960 -0.001 0.000 0.252 459 G HA3 0.057 4.017 3.960 -0.001 0.000 0.252 459 G C 0.597 175.593 174.900 0.159 0.000 0.994 459 G CA 0.499 45.548 45.100 -0.085 0.000 0.698 459 G HN 1.722 nan 8.290 nan 0.000 0.521 460 A N -0.548 122.267 122.820 -0.010 0.000 2.406 460 A HA 0.699 5.019 4.320 -0.001 0.000 0.243 460 A C 1.577 179.196 177.584 0.057 0.000 1.082 460 A CA 1.451 53.483 52.037 -0.009 0.000 0.786 460 A CB 0.367 19.284 19.000 -0.139 0.000 1.029 460 A HN 1.494 nan 8.150 nan 0.000 0.495 461 T N -1.785 112.783 114.554 0.024 0.000 2.971 461 T HA 0.183 4.533 4.350 -0.001 0.000 0.252 461 T C 0.467 175.161 174.700 -0.010 0.000 1.022 461 T CA 0.389 62.514 62.100 0.042 0.000 0.980 461 T CB -0.224 68.660 68.868 0.026 0.000 1.044 461 T HN 0.615 nan 8.240 nan 0.000 0.501 462 E N 1.778 121.927 120.200 -0.085 0.000 2.415 462 E HA 0.291 4.640 4.350 -0.001 0.000 0.260 462 E C -0.514 176.100 176.600 0.024 0.000 1.016 462 E CA -0.080 56.265 56.400 -0.090 0.000 0.924 462 E CB -0.000 29.528 29.700 -0.287 0.000 0.961 462 E HN 0.470 nan 8.360 nan 0.000 0.459 463 L N 3.394 124.681 121.223 0.106 0.000 2.399 463 L HA 0.335 4.675 4.340 -0.001 0.000 0.265 463 L C 0.548 177.547 176.870 0.214 0.000 1.089 463 L CA -0.898 54.040 54.840 0.162 0.000 0.802 463 L CB 1.320 43.450 42.059 0.118 0.000 1.180 463 L HN 0.454 nan 8.230 nan 0.000 0.454 464 T N 0.514 115.124 114.554 0.092 0.000 2.870 464 T HA 0.015 4.364 4.350 -0.001 0.000 0.300 464 T C -0.186 174.317 174.700 -0.328 0.000 0.989 464 T CA -0.101 61.844 62.100 -0.259 0.000 1.139 464 T CB 0.344 68.881 68.868 -0.552 0.000 0.920 464 T HN 0.388 nan 8.240 nan 0.000 0.537 465 D N 2.042 122.263 120.400 -0.298 0.000 2.347 465 D HA 0.146 4.785 4.640 -0.001 0.000 0.235 465 D C -0.142 176.005 176.300 -0.255 0.000 1.149 465 D CA -0.422 53.477 54.000 -0.168 0.000 0.850 465 D CB 0.448 41.207 40.800 -0.069 0.000 1.061 465 D HN 0.534 nan 8.370 nan 0.000 0.487 466 Y N 1.142 121.435 120.300 -0.012 0.000 2.466 466 Y HA 0.060 4.609 4.550 -0.001 0.000 0.272 466 Y C 1.365 177.254 175.900 -0.017 0.000 1.169 466 Y CA -0.298 57.791 58.100 -0.020 0.000 1.285 466 Y CB 0.153 38.605 38.460 -0.013 0.000 1.078 466 Y HN 0.231 nan 8.280 nan 0.000 0.523 467 S N -0.295 115.465 115.700 0.098 0.000 2.586 467 S HA 0.201 4.670 4.470 -0.001 0.000 0.274 467 S C 0.236 174.853 174.600 0.027 0.000 1.281 467 S CA -0.619 57.619 58.200 0.063 0.000 1.035 467 S CB 0.473 63.707 63.200 0.058 0.000 0.962 467 S HN 0.561 nan 8.310 nan 0.000 0.512 468 N N -0.544 118.169 118.700 0.021 0.000 2.727 468 N HA -0.130 4.610 4.740 -0.001 0.000 0.249 468 N C -0.849 174.651 175.510 -0.016 0.000 1.048 468 N CA 0.464 53.515 53.050 0.001 0.000 0.714 468 N CB -1.406 37.083 38.487 0.004 0.000 0.959 468 N HN 0.495 nan 8.380 nan 0.000 0.544 469 V N 0.651 120.557 119.914 -0.013 0.000 2.470 469 V HA 0.427 4.546 4.120 -0.001 0.000 0.276 469 V C 1.087 177.156 176.094 -0.042 0.000 1.040 469 V CA -0.184 62.100 62.300 -0.026 0.000 1.008 469 V CB 0.934 32.751 31.823 -0.009 0.000 0.990 469 V HN 0.387 nan 8.190 nan 0.000 0.477 470 A N 5.034 127.823 122.820 -0.051 0.000 2.386 470 A HA 0.687 5.007 4.320 -0.001 0.000 0.248 470 A C 0.575 178.114 177.584 -0.075 0.000 1.082 470 A CA 0.189 52.184 52.037 -0.070 0.000 0.789 470 A CB 0.367 19.329 19.000 -0.063 0.000 1.025 470 A HN 1.011 nan 8.150 nan 0.000 0.490 471 T N -1.728 112.759 114.554 -0.112 0.000 2.883 471 T HA 0.784 5.133 4.350 -0.001 0.000 0.296 471 T C -0.598 173.965 174.700 -0.227 0.000 1.117 471 T CA -0.607 61.417 62.100 -0.127 0.000 1.006 471 T CB 1.828 70.652 68.868 -0.073 0.000 1.191 471 T HN 0.620 nan 8.240 nan 0.000 0.508 472 T N 1.214 115.593 114.554 -0.292 0.000 2.991 472 T HA 0.515 4.864 4.350 -0.001 0.000 0.303 472 T C -0.803 173.511 174.700 -0.644 0.000 1.015 472 T CA -0.588 61.187 62.100 -0.541 0.000 1.007 472 T CB 1.561 70.007 68.868 -0.703 0.000 1.034 472 T HN 0.692 nan 8.240 nan 0.000 0.446 473 V N 4.043 123.630 119.914 -0.545 0.000 2.383 473 V HA 0.356 4.476 4.120 -0.001 0.000 0.275 473 V C -0.318 175.554 176.094 -0.370 0.000 1.036 473 V CA -0.477 61.621 62.300 -0.336 0.000 0.889 473 V CB 0.362 32.062 31.823 -0.205 0.000 0.985 473 V HN 0.880 nan 8.190 nan 0.000 0.459 474 F N 3.252 123.148 119.950 -0.089 0.000 2.871 474 F HA 0.186 4.713 4.527 -0.001 0.000 0.317 474 F C 1.571 177.175 175.800 -0.326 0.000 1.193 474 F CA -0.518 57.307 58.000 -0.293 0.000 1.311 474 F CB -0.397 38.359 39.000 -0.408 0.000 1.380 474 F HN 0.555 nan 8.300 nan 0.000 0.557 475 T N -2.464 112.100 114.554 0.016 0.000 2.766 475 T HA 0.102 4.451 4.350 -0.001 0.000 0.295 475 T C -1.497 173.338 174.700 0.224 0.000 1.024 475 T CA -1.494 60.679 62.100 0.122 0.000 1.018 475 T CB 0.753 69.692 68.868 0.119 0.000 1.002 475 T HN -0.041 nan 8.240 nan 0.000 0.532 476 P HA -0.031 nan 4.420 nan 0.000 0.216 476 P C 0.246 177.644 177.300 0.163 0.000 1.157 476 P CA 0.707 64.017 63.100 0.350 0.000 0.880 476 P CB 0.000 31.928 31.700 0.379 0.000 0.791 477 L N 0.105 121.259 121.223 -0.115 0.000 2.265 477 L HA 0.224 4.563 4.340 -0.001 0.000 0.289 477 L C 0.083 176.919 176.870 -0.057 0.000 1.033 477 L CA -0.585 54.076 54.840 -0.298 0.000 0.814 477 L CB 0.427 41.937 42.059 -0.916 0.000 1.203 477 L HN -0.118 nan 8.230 nan 0.000 0.423 478 E N 3.392 123.610 120.200 0.031 0.000 2.390 478 E HA 0.102 4.451 4.350 -0.001 0.000 0.261 478 E C -1.505 175.133 176.600 0.064 0.000 1.076 478 E CA -0.094 56.316 56.400 0.017 0.000 0.905 478 E CB 0.947 30.655 29.700 0.013 0.000 0.984 478 E HN 0.452 nan 8.360 nan 0.000 0.427 479 Y N 0.784 121.000 120.300 -0.139 0.000 2.332 479 Y HA 0.477 5.027 4.550 -0.001 0.000 0.326 479 Y C -0.479 175.362 175.900 -0.100 0.000 0.978 479 Y CA -1.006 57.049 58.100 -0.076 0.000 1.205 479 Y CB 1.191 39.610 38.460 -0.068 0.000 1.131 479 Y HN 0.493 nan 8.280 nan 0.000 0.462 480 G N 3.351 112.019 108.800 -0.219 0.000 2.388 480 G HA2 0.767 4.726 3.960 -0.001 0.000 0.330 480 G HA3 0.767 4.726 3.960 -0.001 0.000 0.330 480 G C -1.588 173.087 174.900 -0.376 0.000 1.142 480 G CA -0.425 44.477 45.100 -0.330 0.000 0.908 480 G HN 1.028 nan 8.290 nan 0.000 0.473 481 A N -0.017 122.569 122.820 -0.391 0.000 2.549 481 A HA 0.699 5.018 4.320 -0.001 0.000 0.297 481 A C -1.104 176.334 177.584 -0.244 0.000 1.061 481 A CA -0.580 51.257 52.037 -0.333 0.000 0.690 481 A CB 1.644 20.470 19.000 -0.289 0.000 1.287 481 A HN 1.630 nan 8.150 nan 0.000 0.402 482 C N 1.559 120.696 119.300 -0.272 0.000 2.516 482 C HA 0.825 5.285 4.460 -0.001 0.000 0.338 482 C C 0.616 175.512 174.990 -0.157 0.000 1.132 482 C CA 1.273 60.191 59.018 -0.165 0.000 1.310 482 C CB 0.132 27.805 27.740 -0.111 0.000 1.898 482 C HN 2.872 nan 8.230 nan 0.000 0.452 483 G N 4.810 113.560 108.800 -0.082 0.000 2.451 483 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.208 483 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.208 483 G C -1.027 173.891 174.900 0.030 0.000 1.248 483 G CA -0.347 44.739 45.100 -0.023 0.000 0.989 483 G HN 1.018 nan 8.290 nan 0.000 0.559 484 L N 1.434 122.711 121.223 0.091 0.000 2.371 484 L HA 0.493 4.833 4.340 -0.001 0.000 0.272 484 L C 1.678 178.719 176.870 0.284 0.000 1.124 484 L CA -0.004 54.924 54.840 0.148 0.000 0.816 484 L CB 1.297 43.440 42.059 0.140 0.000 1.129 484 L HN 0.988 nan 8.230 nan 0.000 0.448 485 S N 0.598 116.447 115.700 0.248 0.000 2.576 485 S HA -0.018 4.451 4.470 -0.001 0.000 0.272 485 S C 0.914 175.575 174.600 0.103 0.000 1.352 485 S CA -0.320 57.996 58.200 0.193 0.000 1.021 485 S CB 1.120 64.393 63.200 0.121 0.000 0.887 485 S HN 0.785 nan 8.310 nan 0.000 0.542 486 E N 1.162 121.361 120.200 -0.001 0.000 2.058 486 E HA -0.241 4.109 4.350 -0.001 0.000 0.194 486 E C 2.072 178.685 176.600 0.021 0.000 0.997 486 E CA 1.600 58.005 56.400 0.008 0.000 0.801 486 E CB -0.210 29.465 29.700 -0.041 0.000 0.746 486 E HN 0.872 nan 8.360 nan 0.000 0.450 487 E N 0.624 120.830 120.200 0.009 0.000 2.110 487 E HA -0.239 4.110 4.350 -0.001 0.000 0.193 487 E C 1.436 178.046 176.600 0.017 0.000 0.988 487 E CA 1.413 57.819 56.400 0.009 0.000 0.804 487 E CB -0.379 29.323 29.700 0.004 0.000 0.745 487 E HN 0.286 nan 8.360 nan 0.000 0.458 488 D N 1.601 122.018 120.400 0.029 0.000 2.144 488 D HA -0.016 4.623 4.640 -0.001 0.000 0.200 488 D C 2.007 178.323 176.300 0.025 0.000 0.978 488 D CA 1.873 55.885 54.000 0.019 0.000 0.833 488 D CB -0.338 40.479 40.800 0.028 0.000 0.961 488 D HN 0.341 nan 8.370 nan 0.000 0.470 489 A N 0.611 123.479 122.820 0.080 0.000 1.902 489 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 489 A C 2.352 180.024 177.584 0.145 0.000 1.181 489 A CA 0.912 53.045 52.037 0.160 0.000 0.623 489 A CB -0.704 18.401 19.000 0.177 0.000 0.818 489 A HN 0.194 nan 8.150 nan 0.000 0.443 490 I N -0.759 119.857 120.570 0.077 0.000 2.226 490 I HA -0.251 3.919 4.170 -0.001 0.000 0.245 490 I C 2.563 178.692 176.117 0.019 0.000 1.100 490 I CA 1.758 63.089 61.300 0.052 0.000 1.374 490 I CB -0.298 37.716 38.000 0.023 0.000 1.057 490 I HN 0.518 nan 8.210 nan 0.000 0.413 491 E N 1.304 121.498 120.200 -0.009 0.000 2.077 491 E HA -0.254 4.095 4.350 -0.001 0.000 0.193 491 E C 2.146 178.688 176.600 -0.095 0.000 0.989 491 E CA 1.347 57.723 56.400 -0.040 0.000 0.800 491 E CB 0.139 29.815 29.700 -0.039 0.000 0.746 491 E HN 0.390 nan 8.360 nan 0.000 0.452 492 K N -0.904 119.392 120.400 -0.175 0.000 2.062 492 K HA -0.122 4.198 4.320 -0.001 0.000 0.205 492 K C 1.454 177.754 176.600 -0.500 0.000 1.051 492 K CA 1.400 57.429 56.287 -0.431 0.000 0.941 492 K CB 0.052 32.115 32.500 -0.728 0.000 0.719 492 K HN 0.290 nan 8.250 nan 0.000 0.440 493 Y N -0.632 119.670 120.300 0.004 0.000 2.453 493 Y HA 0.245 4.794 4.550 -0.001 0.000 0.247 493 Y C 0.587 176.487 175.900 -0.000 0.000 1.124 493 Y CA -0.119 57.983 58.100 0.003 0.000 1.243 493 Y CB 1.563 40.027 38.460 0.005 0.000 1.213 493 Y HN 0.118 nan 8.280 nan 0.000 0.523 494 G N 1.192 110.055 108.800 0.104 0.000 2.719 494 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.686 494 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.686 494 G C -0.251 174.685 174.900 0.060 0.000 1.201 494 G CA -0.106 45.031 45.100 0.062 0.000 0.768 494 G HN 0.294 nan 8.290 nan 0.000 0.629 495 D N 0.246 120.664 120.400 0.029 0.000 2.149 495 D HA -0.071 4.569 4.640 -0.001 0.000 0.198 495 D C 2.268 178.572 176.300 0.008 0.000 0.990 495 D CA 1.794 55.802 54.000 0.014 0.000 0.839 495 D CB 0.026 40.825 40.800 -0.000 0.000 0.948 495 D HN 0.560 nan 8.370 nan 0.000 0.460 496 K N -0.487 119.920 120.400 0.012 0.000 2.283 496 K HA -0.091 4.228 4.320 -0.001 0.000 0.202 496 K C 0.919 177.523 176.600 0.006 0.000 1.048 496 K CA 0.984 57.274 56.287 0.005 0.000 0.948 496 K CB 0.143 32.648 32.500 0.008 0.000 0.742 496 K HN 0.114 nan 8.250 nan 0.000 0.458 497 D N -0.015 120.399 120.400 0.023 0.000 2.349 497 D HA 0.052 4.692 4.640 -0.001 0.000 0.214 497 D C -0.569 175.731 176.300 -0.001 0.000 1.063 497 D CA 0.137 54.146 54.000 0.015 0.000 0.847 497 D CB 0.453 41.278 40.800 0.040 0.000 0.933 497 D HN -0.091 nan 8.370 nan 0.000 0.513 498 I N 1.383 121.955 120.570 0.004 0.000 2.378 498 I HA 0.369 4.538 4.170 -0.001 0.000 0.291 498 I C -0.006 176.082 176.117 -0.049 0.000 0.992 498 I CA -0.804 60.492 61.300 -0.007 0.000 1.154 498 I CB 1.507 39.521 38.000 0.022 0.000 1.315 498 I HN -0.143 nan 8.210 nan 0.000 0.448 499 E N 5.049 125.208 120.200 -0.067 0.000 2.210 499 E HA 0.598 4.948 4.350 -0.001 0.000 0.266 499 E C -1.579 174.913 176.600 -0.181 0.000 0.883 499 E CA -0.489 55.815 56.400 -0.160 0.000 0.761 499 E CB 1.913 31.506 29.700 -0.178 0.000 1.156 499 E HN 0.306 nan 8.360 nan 0.000 0.412 500 V N 5.411 125.159 119.914 -0.277 0.000 2.378 500 V HA 0.358 4.477 4.120 -0.001 0.000 0.288 500 V C -0.987 174.904 176.094 -0.337 0.000 1.016 500 V CA -0.722 61.448 62.300 -0.216 0.000 0.840 500 V CB 0.525 32.238 31.823 -0.183 0.000 0.994 500 V HN 0.637 nan 8.190 nan 0.000 0.431 501 Y N 4.590 124.847 120.300 -0.070 0.000 2.323 501 Y HA 0.668 5.217 4.550 -0.001 0.000 0.331 501 Y C 0.630 176.545 175.900 0.024 0.000 1.092 501 Y CA -0.306 57.778 58.100 -0.027 0.000 1.150 501 Y CB 1.171 39.608 38.460 -0.038 0.000 1.200 501 Y HN 0.854 nan 8.280 nan 0.000 0.472 502 H N -1.189 117.871 119.070 -0.016 0.000 3.017 502 H HA 0.826 5.381 4.556 -0.001 0.000 0.346 502 H C -1.561 173.659 175.328 -0.179 0.000 1.286 502 H CA -1.178 54.771 56.048 -0.164 0.000 1.120 502 H CB 2.160 31.838 29.762 -0.140 0.000 1.860 502 H HN 0.512 nan 8.280 nan 0.000 0.542 503 S N 0.694 116.187 115.700 -0.345 0.000 2.542 503 S HA 0.261 4.730 4.470 -0.001 0.000 0.276 503 S C -1.492 173.014 174.600 -0.156 0.000 1.148 503 S CA -0.861 57.180 58.200 -0.265 0.000 0.886 503 S CB 1.301 64.406 63.200 -0.159 0.000 1.109 503 S HN 0.814 nan 8.310 nan 0.000 0.458 504 N N 1.478 120.170 118.700 -0.013 0.000 2.424 504 N HA 0.690 5.429 4.740 -0.001 0.000 0.257 504 N C -0.536 175.050 175.510 0.127 0.000 1.250 504 N CA 0.086 53.178 53.050 0.069 0.000 0.946 504 N CB 0.444 38.955 38.487 0.040 0.000 1.175 504 N HN 0.509 nan 8.380 nan 0.000 0.477 505 F N -2.030 117.877 119.950 -0.072 0.000 2.745 505 F HA 0.604 5.130 4.527 -0.001 0.000 0.316 505 F C -1.209 174.532 175.800 -0.098 0.000 1.155 505 F CA -1.216 56.728 58.000 -0.092 0.000 0.937 505 F CB 1.486 40.402 39.000 -0.140 0.000 1.361 505 F HN 0.146 nan 8.300 nan 0.000 0.472 506 K N 1.888 122.315 120.400 0.045 0.000 2.541 506 K HA 0.536 4.855 4.320 -0.001 0.000 0.250 506 K C -3.073 173.512 176.600 -0.025 0.000 0.950 506 K CA -1.903 54.328 56.287 -0.095 0.000 0.805 506 K CB 2.013 34.536 32.500 0.038 0.000 1.166 506 K HN 0.418 nan 8.250 nan 0.000 0.430 507 P HA -0.067 nan 4.420 nan 0.000 0.265 507 P C 0.567 177.873 177.300 0.010 0.000 1.193 507 P CA -0.342 62.651 63.100 -0.179 0.000 0.765 507 P CB 0.541 31.894 31.700 -0.578 0.000 0.823 508 L N 4.023 125.281 121.223 0.057 0.000 2.081 508 L HA -0.221 4.119 4.340 -0.001 0.000 0.212 508 L C 1.666 178.657 176.870 0.201 0.000 1.080 508 L CA 2.034 56.937 54.840 0.106 0.000 0.754 508 L CB -1.041 41.053 42.059 0.059 0.000 0.893 508 L HN 0.306 nan 8.230 nan 0.000 0.433 509 E N -1.508 118.832 120.200 0.234 0.000 2.209 509 E HA -0.236 4.113 4.350 -0.001 0.000 0.196 509 E C 1.692 178.624 176.600 0.554 0.000 0.993 509 E CA 1.395 58.027 56.400 0.386 0.000 0.819 509 E CB -0.380 29.496 29.700 0.292 0.000 0.745 509 E HN 0.570 nan 8.360 nan 0.000 0.477 510 W N 0.619 122.005 121.300 0.142 0.000 2.905 510 W HA 0.046 4.705 4.660 -0.001 0.000 0.251 510 W C 2.125 178.655 176.519 0.019 0.000 1.305 510 W CA 1.213 58.616 57.345 0.097 0.000 1.465 510 W CB -0.906 28.598 29.460 0.073 0.000 1.122 510 W HN 0.171 nan 8.180 nan 0.000 0.659 511 T N -2.764 111.916 114.554 0.211 0.000 2.639 511 T HA -0.163 4.187 4.350 -0.001 0.000 0.261 511 T C 1.853 176.423 174.700 -0.216 0.000 1.053 511 T CA 1.717 63.834 62.100 0.028 0.000 1.158 511 T CB -0.986 67.905 68.868 0.038 0.000 0.863 511 T HN -0.113 nan 8.240 nan 0.000 0.413 512 V N 2.347 122.103 119.914 -0.263 0.000 2.490 512 V HA 0.028 4.147 4.120 -0.001 0.000 0.250 512 V C 3.123 178.809 176.094 -0.680 0.000 1.061 512 V CA 1.441 63.395 62.300 -0.577 0.000 1.064 512 V CB -1.332 29.978 31.823 -0.855 0.000 0.670 512 V HN 0.730 nan 8.190 nan 0.000 0.461 513 A N -1.869 120.768 122.820 -0.305 0.000 2.206 513 A HA -0.075 4.244 4.320 -0.001 0.000 0.211 513 A C 0.950 178.350 177.584 -0.307 0.000 1.158 513 A CA 0.370 52.319 52.037 -0.146 0.000 0.761 513 A CB -0.514 18.604 19.000 0.196 0.000 0.801 513 A HN 0.738 nan 8.150 nan 0.000 0.473 514 H N -0.984 117.950 119.070 -0.227 0.000 2.791 514 H HA -0.136 4.419 4.556 -0.001 0.000 0.302 514 H C 0.347 175.595 175.328 -0.134 0.000 1.198 514 H CA 1.218 57.151 56.048 -0.192 0.000 1.145 514 H CB -1.470 28.112 29.762 -0.299 0.000 1.385 514 H HN 0.669 nan 8.280 nan 0.000 0.409 515 R N 0.449 120.920 120.500 -0.049 0.000 2.527 515 R HA 0.319 4.659 4.340 -0.001 0.000 0.243 515 R C 0.439 176.779 176.300 0.066 0.000 1.206 515 R CA -0.835 55.171 56.100 -0.157 0.000 1.134 515 R CB 0.731 30.590 30.300 -0.734 0.000 1.347 515 R HN 0.125 nan 8.270 nan 0.000 0.580 516 E N 1.316 121.581 120.200 0.108 0.000 2.360 516 E HA 0.026 4.375 4.350 -0.001 0.000 0.269 516 E C -0.825 175.960 176.600 0.308 0.000 1.022 516 E CA 0.196 56.729 56.400 0.223 0.000 0.887 516 E CB 0.373 30.223 29.700 0.250 0.000 0.990 516 E HN 0.201 nan 8.360 nan 0.000 0.426 517 D N 2.437 122.942 120.400 0.174 0.000 2.344 517 D HA 0.065 4.704 4.640 -0.001 0.000 0.244 517 D C 0.192 176.548 176.300 0.093 0.000 1.134 517 D CA -0.142 53.932 54.000 0.123 0.000 0.930 517 D CB 0.428 41.277 40.800 0.081 0.000 1.175 517 D HN 0.355 nan 8.370 nan 0.000 0.437 518 N N -0.074 118.650 118.700 0.041 0.000 2.721 518 N HA -0.157 4.582 4.740 -0.001 0.000 0.249 518 N C 0.495 176.018 175.510 0.021 0.000 1.072 518 N CA 0.314 53.374 53.050 0.017 0.000 0.710 518 N CB -1.077 37.424 38.487 0.022 0.000 0.993 518 N HN 0.182 nan 8.380 nan 0.000 0.547 519 V N -1.125 118.804 119.914 0.025 0.000 2.854 519 V HA 0.077 4.196 4.120 -0.001 0.000 0.236 519 V C 1.355 177.410 176.094 -0.065 0.000 1.157 519 V CA 0.557 62.894 62.300 0.060 0.000 1.187 519 V CB 0.439 32.413 31.823 0.251 0.000 0.949 519 V HN 0.416 nan 8.190 nan 0.000 0.488 520 C N 1.473 120.591 119.300 -0.302 0.000 2.657 520 C HA 0.323 4.782 4.460 -0.001 0.000 0.420 520 C C -0.093 174.575 174.990 -0.537 0.000 1.323 520 C CA 0.169 58.765 59.018 -0.704 0.000 1.894 520 C CB -1.327 25.439 27.740 -1.624 0.000 2.681 520 C HN 0.542 nan 8.230 nan 0.000 0.613 521 Y N 3.685 123.789 120.300 -0.326 0.000 2.519 521 Y HA 0.695 5.244 4.550 -0.001 0.000 0.336 521 Y C -0.617 175.405 175.900 0.203 0.000 1.089 521 Y CA -1.139 56.958 58.100 -0.005 0.000 1.025 521 Y CB 1.087 39.526 38.460 -0.034 0.000 1.318 521 Y HN 0.796 nan 8.280 nan 0.000 0.452 522 M N 4.545 123.863 119.600 -0.470 0.000 2.531 522 M HA 0.719 5.199 4.480 -0.001 0.000 0.286 522 M C -2.178 173.784 176.300 -0.563 0.000 1.232 522 M CA -0.868 54.180 55.300 -0.420 0.000 0.877 522 M CB 3.107 35.308 32.600 -0.664 0.000 1.726 522 M HN 0.596 nan 8.290 nan 0.000 0.463 523 K N 1.864 122.190 120.400 -0.124 0.000 2.532 523 K HA 0.794 5.113 4.320 -0.001 0.000 0.265 523 K C -2.091 174.628 176.600 0.199 0.000 0.948 523 K CA -0.939 55.359 56.287 0.019 0.000 0.842 523 K CB 2.458 34.990 32.500 0.054 0.000 1.392 523 K HN 0.868 nan 8.250 nan 0.000 0.436 524 L N 2.294 123.597 121.223 0.133 0.000 2.325 524 L HA 0.422 4.762 4.340 -0.001 0.000 0.281 524 L C -0.828 176.096 176.870 0.091 0.000 1.004 524 L CA -1.367 53.506 54.840 0.055 0.000 0.823 524 L CB 2.061 44.038 42.059 -0.137 0.000 1.236 524 L HN 0.426 nan 8.230 nan 0.000 0.415 525 V N 2.434 122.403 119.914 0.093 0.000 2.385 525 V HA 0.324 4.443 4.120 -0.001 0.000 0.269 525 V C -0.025 176.095 176.094 0.044 0.000 1.043 525 V CA -0.313 62.035 62.300 0.079 0.000 0.906 525 V CB 1.104 33.002 31.823 0.125 0.000 0.995 525 V HN 0.823 nan 8.190 nan 0.000 0.467 526 C N 4.656 123.979 119.300 0.039 0.000 2.707 526 C HA 0.625 5.084 4.460 -0.001 0.000 0.313 526 C C 0.264 175.244 174.990 -0.018 0.000 1.209 526 C CA -1.086 57.944 59.018 0.020 0.000 1.635 526 C CB 1.848 29.643 27.740 0.090 0.000 2.206 526 C HN 0.908 nan 8.230 nan 0.000 0.485 527 R N 1.388 121.847 120.500 -0.069 0.000 2.215 527 R HA 0.238 4.577 4.340 -0.001 0.000 0.336 527 R C 0.893 177.144 176.300 -0.080 0.000 0.996 527 R CA -0.291 55.729 56.100 -0.133 0.000 0.847 527 R CB 0.503 30.619 30.300 -0.308 0.000 1.127 527 R HN 0.767 nan 8.270 nan 0.000 0.465 528 K N 0.775 121.145 120.400 -0.051 0.000 2.063 528 K HA -0.149 4.171 4.320 -0.001 0.000 0.208 528 K C 1.691 178.275 176.600 -0.027 0.000 1.048 528 K CA 2.088 58.362 56.287 -0.021 0.000 0.928 528 K CB 0.052 32.543 32.500 -0.014 0.000 0.713 528 K HN 0.608 nan 8.250 nan 0.000 0.442 529 S N 0.493 116.166 115.700 -0.045 0.000 2.522 529 S HA -0.096 4.374 4.470 -0.001 0.000 0.227 529 S C 0.853 175.426 174.600 -0.044 0.000 0.986 529 S CA 0.894 59.072 58.200 -0.036 0.000 0.929 529 S CB 0.100 63.282 63.200 -0.030 0.000 0.769 529 S HN 0.121 nan 8.310 nan 0.000 0.529 530 D N 1.870 122.229 120.400 -0.068 0.000 3.123 530 D HA 0.294 4.934 4.640 -0.001 0.000 0.305 530 D C -0.450 175.827 176.300 -0.038 0.000 1.373 530 D CA -0.491 53.472 54.000 -0.062 0.000 0.889 530 D CB -1.629 39.108 40.800 -0.105 0.000 1.070 530 D HN 0.394 nan 8.370 nan 0.000 0.494 531 N N 1.075 119.763 118.700 -0.020 0.000 2.721 531 N HA -0.281 4.459 4.740 -0.001 0.000 0.249 531 N C -0.046 175.464 175.510 0.000 0.000 1.072 531 N CA 0.374 53.421 53.050 -0.005 0.000 0.710 531 N CB -0.632 37.854 38.487 -0.002 0.000 0.993 531 N HN 0.257 nan 8.380 nan 0.000 0.547 532 M N -1.014 118.587 119.600 0.000 0.000 2.360 532 M HA -0.197 4.282 4.480 -0.001 0.000 0.202 532 M C 0.158 176.454 176.300 -0.007 0.000 0.390 532 M CA 0.822 56.131 55.300 0.016 0.000 0.470 532 M CB -0.778 31.853 32.600 0.052 0.000 1.637 532 M HN 0.328 nan 8.290 nan 0.000 0.885 533 R N -0.198 120.284 120.500 -0.029 0.000 2.537 533 R HA 0.322 4.662 4.340 -0.001 0.000 0.281 533 R C -0.634 175.644 176.300 -0.038 0.000 0.988 533 R CA 0.243 56.325 56.100 -0.031 0.000 1.077 533 R CB 0.460 30.727 30.300 -0.055 0.000 0.932 533 R HN 0.250 nan 8.270 nan 0.000 0.409 534 V N 8.141 128.037 119.914 -0.030 0.000 2.415 534 V HA 0.000 4.120 4.120 -0.001 0.000 0.267 534 V C 1.297 177.376 176.094 -0.025 0.000 1.042 534 V CA 0.221 62.483 62.300 -0.062 0.000 1.000 534 V CB 0.500 32.253 31.823 -0.117 0.000 1.015 534 V HN 0.766 nan 8.190 nan 0.000 0.478 535 L N 4.153 125.369 121.223 -0.011 0.000 2.354 535 L HA 0.414 4.753 4.340 -0.001 0.000 0.212 535 L C 1.131 178.028 176.870 0.045 0.000 1.091 535 L CA 0.752 55.611 54.840 0.030 0.000 0.828 535 L CB 0.039 42.136 42.059 0.063 0.000 0.973 535 L HN 0.752 nan 8.230 nan 0.000 0.461 536 G N 0.255 109.077 108.800 0.037 0.000 2.753 536 G HA2 0.545 4.505 3.960 -0.001 0.000 0.297 536 G HA3 0.545 4.505 3.960 -0.001 0.000 0.297 536 G C -2.082 172.792 174.900 -0.044 0.000 1.430 536 G CA -0.323 44.794 45.100 0.029 0.000 1.040 536 G HN -0.100 nan 8.290 nan 0.000 0.530 537 L N 1.267 122.332 121.223 -0.265 0.000 2.365 537 L HA 0.881 5.220 4.340 -0.001 0.000 0.273 537 L C -1.219 175.408 176.870 -0.405 0.000 1.000 537 L CA -0.912 53.783 54.840 -0.241 0.000 0.819 537 L CB 1.861 43.709 42.059 -0.351 0.000 1.284 537 L HN 0.696 nan 8.230 nan 0.000 0.418 538 H N 3.020 122.221 119.070 0.219 0.000 2.856 538 H HA 0.681 5.236 4.556 -0.001 0.000 0.355 538 H C -1.360 174.206 175.328 0.397 0.000 1.079 538 H CA -0.506 55.748 56.048 0.344 0.000 1.240 538 H CB 2.401 32.394 29.762 0.385 0.000 1.701 538 H HN 0.397 nan 8.280 nan 0.000 0.527 539 V N 4.274 124.499 119.914 0.518 0.000 2.668 539 V HA 0.452 4.571 4.120 -0.001 0.000 0.304 539 V C -1.735 174.618 176.094 0.433 0.000 1.071 539 V CA -0.734 61.818 62.300 0.420 0.000 0.894 539 V CB 1.738 33.796 31.823 0.391 0.000 1.008 539 V HN 0.618 nan 8.190 nan 0.000 0.425 540 L N 7.208 128.644 121.223 0.356 0.000 2.305 540 L HA 1.069 5.408 4.340 -0.001 0.000 0.284 540 L C 0.064 177.002 176.870 0.114 0.000 1.013 540 L CA 1.154 56.126 54.840 0.219 0.000 0.819 540 L CB 1.139 43.272 42.059 0.123 0.000 1.227 540 L HN 1.089 nan 8.230 nan 0.000 0.417 541 G N 3.873 112.718 108.800 0.075 0.000 2.321 541 G HA2 0.278 4.238 3.960 -0.001 0.000 0.298 541 G HA3 0.278 4.238 3.960 -0.001 0.000 0.298 541 G C -3.397 171.534 174.900 0.052 0.000 1.385 541 G CA -0.876 44.225 45.100 0.001 0.000 0.856 541 G HN 0.383 nan 8.290 nan 0.000 0.584 542 P HA 0.185 nan 4.420 nan 0.000 0.269 542 P C 0.012 177.384 177.300 0.120 0.000 1.209 542 P CA 0.091 63.257 63.100 0.110 0.000 0.776 542 P CB 0.282 32.051 31.700 0.114 0.000 0.876 543 N N 0.434 119.227 118.700 0.154 0.000 2.721 543 N HA -0.245 4.495 4.740 -0.001 0.000 0.249 543 N C 0.932 176.511 175.510 0.115 0.000 1.072 543 N CA 1.013 54.152 53.050 0.148 0.000 0.710 543 N CB -1.449 37.106 38.487 0.114 0.000 0.993 543 N HN 0.542 nan 8.380 nan 0.000 0.547 544 A N -0.079 122.794 122.820 0.089 0.000 2.019 544 A HA 0.023 4.343 4.320 -0.001 0.000 0.219 544 A C 2.286 179.882 177.584 0.019 0.000 1.164 544 A CA 2.055 54.130 52.037 0.062 0.000 0.644 544 A CB -0.627 18.391 19.000 0.031 0.000 0.805 544 A HN 0.525 nan 8.150 nan 0.000 0.449 545 G N -0.305 108.487 108.800 -0.013 0.000 2.418 545 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.217 545 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.217 545 G C 1.352 176.286 174.900 0.057 0.000 1.158 545 G CA 0.927 46.032 45.100 0.008 0.000 0.771 545 G HN 0.501 nan 8.290 nan 0.000 0.545 546 E N 0.597 120.846 120.200 0.081 0.000 2.106 546 E HA -0.057 4.293 4.350 -0.001 0.000 0.192 546 E C 2.577 179.207 176.600 0.051 0.000 0.984 546 E CA 0.449 56.883 56.400 0.058 0.000 0.806 546 E CB -0.239 29.497 29.700 0.060 0.000 0.750 546 E HN 0.530 nan 8.360 nan 0.000 0.458 547 I N 1.074 121.699 120.570 0.092 0.000 2.142 547 I HA -0.241 3.928 4.170 -0.001 0.000 0.240 547 I C 2.333 178.578 176.117 0.214 0.000 1.078 547 I CA 1.447 62.844 61.300 0.162 0.000 1.343 547 I CB -0.461 37.667 38.000 0.213 0.000 1.046 547 I HN 0.052 nan 8.210 nan 0.000 0.405 548 T N -0.360 114.287 114.554 0.155 0.000 2.777 548 T HA -0.233 4.117 4.350 -0.001 0.000 0.266 548 T C 1.751 176.503 174.700 0.087 0.000 1.040 548 T CA 1.385 63.567 62.100 0.137 0.000 1.141 548 T CB -0.250 68.629 68.868 0.019 0.000 0.868 548 T HN 0.257 nan 8.240 nan 0.000 0.444 549 Q N 1.379 121.190 119.800 0.018 0.000 2.062 549 Q HA -0.098 4.241 4.340 -0.001 0.000 0.209 549 Q C 2.441 178.399 176.000 -0.068 0.000 0.996 549 Q CA 2.358 58.146 55.803 -0.024 0.000 0.859 549 Q CB -1.129 27.594 28.738 -0.024 0.000 0.920 549 Q HN 0.495 nan 8.270 nan 0.000 0.415 550 G N -1.203 107.507 108.800 -0.150 0.000 2.440 550 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.218 550 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.218 550 G C 0.957 175.689 174.900 -0.280 0.000 1.154 550 G CA 1.087 46.031 45.100 -0.259 0.000 0.767 550 G HN 0.487 nan 8.290 nan 0.000 0.552 551 Y N 1.233 121.441 120.300 -0.153 0.000 2.333 551 Y HA 0.085 4.634 4.550 -0.001 0.000 0.290 551 Y C 3.033 178.865 175.900 -0.115 0.000 1.144 551 Y CA 0.446 58.439 58.100 -0.177 0.000 1.228 551 Y CB -0.419 37.910 38.460 -0.218 0.000 0.985 551 Y HN 0.268 nan 8.280 nan 0.000 0.542 552 A N -0.382 122.458 122.820 0.033 0.000 1.972 552 A HA -0.129 4.191 4.320 -0.001 0.000 0.219 552 A C 2.354 179.928 177.584 -0.017 0.000 1.169 552 A CA 1.796 53.832 52.037 -0.001 0.000 0.635 552 A CB -1.057 17.929 19.000 -0.023 0.000 0.810 552 A HN 0.262 nan 8.150 nan 0.000 0.446 553 V N -0.259 119.630 119.914 -0.041 0.000 2.307 553 V HA -0.213 3.906 4.120 -0.001 0.000 0.245 553 V C 3.044 179.115 176.094 -0.038 0.000 1.045 553 V CA 1.833 64.104 62.300 -0.048 0.000 1.024 553 V CB -1.306 30.474 31.823 -0.072 0.000 0.651 553 V HN 0.594 nan 8.190 nan 0.000 0.449 554 A N 0.043 122.834 122.820 -0.048 0.000 1.902 554 A HA -0.188 4.131 4.320 -0.001 0.000 0.217 554 A C 2.192 179.793 177.584 0.028 0.000 1.181 554 A CA 2.019 54.036 52.037 -0.034 0.000 0.623 554 A CB -0.593 18.353 19.000 -0.090 0.000 0.818 554 A HN 0.507 nan 8.150 nan 0.000 0.443 555 I N -0.665 119.938 120.570 0.056 0.000 2.226 555 I HA -0.249 3.920 4.170 -0.001 0.000 0.245 555 I C 2.477 178.610 176.117 0.027 0.000 1.100 555 I CA 1.784 63.120 61.300 0.058 0.000 1.374 555 I CB -0.166 37.862 38.000 0.046 0.000 1.057 555 I HN 0.261 nan 8.210 nan 0.000 0.413 556 K N 1.404 121.811 120.400 0.010 0.000 2.113 556 K HA -0.143 4.176 4.320 -0.001 0.000 0.208 556 K C 1.869 178.472 176.600 0.005 0.000 1.047 556 K CA 1.834 58.122 56.287 0.003 0.000 0.928 556 K CB -0.232 32.263 32.500 -0.009 0.000 0.716 556 K HN 0.241 nan 8.250 nan 0.000 0.446 557 M N -0.972 118.630 119.600 0.002 0.000 2.618 557 M HA 0.147 4.627 4.480 -0.001 0.000 0.240 557 M C 0.593 176.899 176.300 0.009 0.000 1.123 557 M CA 0.778 56.078 55.300 0.000 0.000 1.060 557 M CB 0.397 32.990 32.600 -0.011 0.000 1.535 557 M HN 0.387 nan 8.290 nan 0.000 0.507 558 G N 1.415 110.227 108.800 0.020 0.000 2.255 558 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.239 558 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.239 558 G C 0.045 174.969 174.900 0.040 0.000 1.083 558 G CA -0.135 44.980 45.100 0.025 0.000 0.826 558 G HN 0.704 nan 8.290 nan 0.000 0.493 559 A N 0.216 123.078 122.820 0.070 0.000 2.561 559 A HA 0.636 4.956 4.320 -0.001 0.000 0.234 559 A C 1.153 178.812 177.584 0.126 0.000 1.055 559 A CA 1.475 53.588 52.037 0.127 0.000 0.756 559 A CB 0.210 19.355 19.000 0.242 0.000 0.986 559 A HN 2.039 nan 8.150 nan 0.000 0.505 560 T N -0.545 114.083 114.554 0.124 0.000 2.949 560 T HA 0.488 4.837 4.350 -0.001 0.000 0.287 560 T C 0.943 175.707 174.700 0.107 0.000 1.034 560 T CA -0.437 61.708 62.100 0.074 0.000 1.018 560 T CB 1.255 70.147 68.868 0.040 0.000 1.135 560 T HN 0.498 nan 8.240 nan 0.000 0.532 561 K N 0.904 121.296 120.400 -0.014 0.000 2.113 561 K HA -0.010 4.310 4.320 -0.001 0.000 0.208 561 K C 2.334 178.939 176.600 0.008 0.000 1.047 561 K CA 1.993 58.219 56.287 -0.102 0.000 0.928 561 K CB -1.221 31.130 32.500 -0.247 0.000 0.716 561 K HN 0.747 nan 8.250 nan 0.000 0.446 562 A N 1.040 123.872 122.820 0.021 0.000 1.908 562 A HA -0.205 4.114 4.320 -0.001 0.000 0.218 562 A C 1.781 179.404 177.584 0.065 0.000 1.181 562 A CA 2.107 54.162 52.037 0.031 0.000 0.627 562 A CB -0.703 18.309 19.000 0.020 0.000 0.818 562 A HN 0.458 nan 8.150 nan 0.000 0.445 563 D N -0.929 119.531 120.400 0.101 0.000 2.144 563 D HA -0.125 4.514 4.640 -0.001 0.000 0.199 563 D C 1.657 178.000 176.300 0.072 0.000 0.984 563 D CA 1.117 55.161 54.000 0.074 0.000 0.834 563 D CB -0.400 40.440 40.800 0.066 0.000 0.955 563 D HN 0.563 nan 8.370 nan 0.000 0.465 564 F N 1.503 121.441 119.950 -0.020 0.000 2.146 564 F HA -0.142 4.384 4.527 -0.001 0.000 0.298 564 F C 2.246 178.042 175.800 -0.006 0.000 1.096 564 F CA 0.821 58.822 58.000 0.000 0.000 1.275 564 F CB 0.010 38.995 39.000 -0.026 0.000 1.008 564 F HN -0.174 nan 8.300 nan 0.000 0.480 565 D N -0.062 120.430 120.400 0.154 0.000 2.117 565 D HA -0.127 4.512 4.640 -0.001 0.000 0.197 565 D C 2.226 178.549 176.300 0.038 0.000 0.987 565 D CA 1.141 55.180 54.000 0.065 0.000 0.829 565 D CB -0.384 40.427 40.800 0.018 0.000 0.961 565 D HN 0.249 nan 8.370 nan 0.000 0.460 566 R N 0.056 120.572 120.500 0.026 0.000 2.148 566 R HA 0.041 4.380 4.340 -0.001 0.000 0.223 566 R C 0.624 176.920 176.300 -0.007 0.000 1.088 566 R CA 0.567 56.669 56.100 0.005 0.000 0.985 566 R CB -0.207 30.092 30.300 -0.002 0.000 0.880 566 R HN 0.043 nan 8.270 nan 0.000 0.451 567 T N 2.165 116.710 114.554 -0.014 0.000 2.884 567 T HA 0.176 4.526 4.350 -0.001 0.000 0.298 567 T C 0.348 175.042 174.700 -0.011 0.000 0.998 567 T CA -0.090 61.989 62.100 -0.036 0.000 1.124 567 T CB 1.006 69.822 68.868 -0.086 0.000 0.931 567 T HN -0.052 nan 8.240 nan 0.000 0.531 568 I N 2.687 123.247 120.570 -0.017 0.000 2.428 568 I HA 0.315 4.484 4.170 -0.001 0.000 0.289 568 I C 1.324 177.443 176.117 0.003 0.000 1.019 568 I CA -0.545 60.752 61.300 -0.005 0.000 1.351 568 I CB 0.543 38.536 38.000 -0.010 0.000 1.412 568 I HN 0.686 nan 8.210 nan 0.000 0.513 569 G N 6.047 114.859 108.800 0.021 0.000 2.569 569 G HA2 0.460 4.419 3.960 -0.001 0.000 0.249 569 G HA3 0.460 4.419 3.960 -0.001 0.000 0.249 569 G C -0.192 174.732 174.900 0.040 0.000 1.216 569 G CA -0.521 44.603 45.100 0.039 0.000 0.845 569 G HN 0.536 nan 8.290 nan 0.000 0.568 570 I N 0.463 121.060 120.570 0.045 0.000 2.336 570 I HA 0.253 4.422 4.170 -0.001 0.000 0.292 570 I C -0.199 175.979 176.117 0.101 0.000 0.991 570 I CA -0.642 60.688 61.300 0.051 0.000 1.227 570 I CB 1.582 39.590 38.000 0.013 0.000 1.366 570 I HN 0.527 nan 8.210 nan 0.000 0.466 571 H N 6.962 126.031 119.070 -0.002 0.000 2.538 571 H HA 0.590 5.145 4.556 -0.001 0.000 0.353 571 H C -2.533 172.800 175.328 0.008 0.000 1.109 571 H CA -1.797 54.253 56.048 0.003 0.000 1.192 571 H CB 1.695 31.460 29.762 0.005 0.000 1.555 571 H HN 0.321 nan 8.280 nan 0.000 0.518 572 P HA 0.291 nan 4.420 nan 0.000 0.297 572 P C -1.231 175.959 177.300 -0.182 0.000 1.331 572 P CA -0.617 62.124 63.100 -0.598 0.000 0.803 572 P CB 1.337 32.654 31.700 -0.638 0.000 0.929 573 T N -1.363 113.147 114.554 -0.074 0.000 2.865 573 T HA 0.284 4.633 4.350 -0.001 0.000 0.294 573 T C 0.750 175.421 174.700 -0.049 0.000 1.119 573 T CA -0.518 61.558 62.100 -0.040 0.000 1.007 573 T CB 0.802 69.661 68.868 -0.016 0.000 1.225 573 T HN 0.288 nan 8.240 nan 0.000 0.515 574 C N 0.466 119.721 119.300 -0.075 0.000 2.475 574 C HA 0.081 4.540 4.460 -0.001 0.000 0.279 574 C C 3.115 177.912 174.990 -0.323 0.000 1.322 574 C CA 1.071 59.954 59.018 -0.225 0.000 1.734 574 C CB -1.091 26.565 27.740 -0.139 0.000 2.005 574 C HN 1.026 nan 8.230 nan 0.000 0.495 575 S N 1.171 116.815 115.700 -0.093 0.000 2.400 575 S HA -0.208 4.262 4.470 -0.001 0.000 0.232 575 S C 1.934 176.612 174.600 0.130 0.000 1.025 575 S CA 1.960 60.215 58.200 0.092 0.000 0.993 575 S CB -0.442 62.874 63.200 0.193 0.000 0.808 575 S HN 0.848 nan 8.310 nan 0.000 0.478 576 E N -0.108 120.117 120.200 0.042 0.000 2.267 576 E HA -0.149 4.200 4.350 -0.001 0.000 0.197 576 E C 1.584 178.200 176.600 0.026 0.000 0.998 576 E CA 1.639 58.079 56.400 0.067 0.000 0.830 576 E CB -0.876 28.863 29.700 0.065 0.000 0.751 576 E HN 0.430 nan 8.360 nan 0.000 0.491 577 T N 0.602 115.079 114.554 -0.129 0.000 2.803 577 T HA -0.134 4.215 4.350 -0.001 0.000 0.269 577 T C 1.095 175.695 174.700 -0.167 0.000 1.052 577 T CA 1.190 63.162 62.100 -0.214 0.000 1.136 577 T CB -0.356 68.236 68.868 -0.459 0.000 0.864 577 T HN 0.188 nan 8.240 nan 0.000 0.467 578 F N 1.918 121.829 119.950 -0.065 0.000 2.333 578 F HA -0.073 4.454 4.527 -0.001 0.000 0.300 578 F C 2.747 178.639 175.800 0.152 0.000 1.083 578 F CA 1.155 59.157 58.000 0.004 0.000 1.395 578 F CB -0.872 38.098 39.000 -0.050 0.000 1.056 578 F HN 0.259 nan 8.300 nan 0.000 0.529 579 T N -4.600 110.123 114.554 0.282 0.000 3.081 579 T HA -0.004 4.346 4.350 -0.001 0.000 0.255 579 T C 1.229 176.005 174.700 0.127 0.000 1.113 579 T CA 1.058 63.285 62.100 0.213 0.000 1.082 579 T CB -0.534 68.415 68.868 0.135 0.000 0.939 579 T HN 0.230 nan 8.240 nan 0.000 0.506 580 T N -0.219 114.394 114.554 0.097 0.000 3.393 580 T HA 0.479 4.828 4.350 -0.001 0.000 0.298 580 T C 0.132 174.911 174.700 0.133 0.000 1.004 580 T CA -0.674 61.474 62.100 0.080 0.000 0.956 580 T CB -0.581 68.319 68.868 0.053 0.000 1.182 580 T HN 0.298 nan 8.240 nan 0.000 0.497 581 L N 3.254 124.530 121.223 0.088 0.000 2.453 581 L HA 0.376 4.715 4.340 -0.001 0.000 0.272 581 L C 1.739 178.707 176.870 0.163 0.000 1.182 581 L CA -0.191 54.700 54.840 0.085 0.000 0.858 581 L CB 0.398 42.463 42.059 0.011 0.000 1.120 581 L HN 0.543 nan 8.230 nan 0.000 0.474 582 H N 0.438 119.586 119.070 0.130 0.000 3.710 582 H HA 0.156 4.712 4.556 -0.001 0.000 0.245 582 H C 0.034 175.524 175.328 0.271 0.000 1.011 582 H CA -0.151 56.016 56.048 0.198 0.000 1.098 582 H CB 0.024 29.845 29.762 0.098 0.000 1.406 582 H HN 0.289 nan 8.280 nan 0.000 0.657 583 V N 4.739 124.476 119.914 -0.295 0.000 2.470 583 V HA 0.193 4.313 4.120 -0.001 0.000 0.276 583 V C 0.904 177.041 176.094 0.072 0.000 1.040 583 V CA 0.566 62.795 62.300 -0.118 0.000 1.008 583 V CB 0.791 32.494 31.823 -0.200 0.000 0.990 583 V HN 0.642 nan 8.190 nan 0.000 0.477 584 T N 2.008 116.538 114.554 -0.040 0.000 2.928 584 T HA 0.391 4.740 4.350 -0.001 0.000 0.284 584 T C 0.862 175.468 174.700 -0.157 0.000 1.008 584 T CA -0.834 61.128 62.100 -0.229 0.000 1.057 584 T CB 1.622 70.280 68.868 -0.349 0.000 1.018 584 T HN 0.551 nan 8.240 nan 0.000 0.493 585 K N 0.622 120.832 120.400 -0.316 0.000 2.097 585 K HA -0.039 4.281 4.320 -0.001 0.000 0.205 585 K C 2.242 178.760 176.600 -0.136 0.000 1.050 585 K CA 1.027 57.144 56.287 -0.283 0.000 0.938 585 K CB -0.059 32.225 32.500 -0.359 0.000 0.718 585 K HN 0.576 nan 8.250 nan 0.000 0.442 586 K N 0.726 121.042 120.400 -0.140 0.000 2.147 586 K HA -0.104 4.215 4.320 -0.001 0.000 0.205 586 K C 2.237 178.804 176.600 -0.056 0.000 1.049 586 K CA 1.583 57.816 56.287 -0.090 0.000 0.936 586 K CB -0.073 32.370 32.500 -0.094 0.000 0.722 586 K HN 0.169 nan 8.250 nan 0.000 0.446 587 S N -0.341 115.329 115.700 -0.051 0.000 2.447 587 S HA -0.054 4.415 4.470 -0.001 0.000 0.233 587 S C 1.615 176.215 174.600 0.001 0.000 1.006 587 S CA 1.012 59.202 58.200 -0.017 0.000 0.957 587 S CB -0.278 62.919 63.200 -0.005 0.000 0.773 587 S HN 0.456 nan 8.310 nan 0.000 0.507 588 G N 0.280 109.083 108.800 0.005 0.000 2.162 588 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.260 588 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.260 588 G C 0.098 175.021 174.900 0.038 0.000 0.976 588 G CA 0.183 45.295 45.100 0.020 0.000 0.655 588 G HN 0.757 nan 8.290 nan 0.000 0.533 589 V N 1.073 121.015 119.914 0.048 0.000 2.637 589 V HA 0.496 4.616 4.120 -0.001 0.000 0.296 589 V C 1.365 177.491 176.094 0.054 0.000 1.046 589 V CA 0.492 62.819 62.300 0.045 0.000 1.066 589 V CB 1.582 33.429 31.823 0.040 0.000 0.968 589 V HN 0.536 nan 8.190 nan 0.000 0.483 590 S N 6.115 121.830 115.700 0.025 0.000 2.549 590 S HA 0.167 4.636 4.470 -0.001 0.000 0.286 590 S C -0.963 173.599 174.600 -0.063 0.000 1.314 590 S CA -0.857 57.344 58.200 0.002 0.000 1.062 590 S CB 0.740 63.941 63.200 0.001 0.000 0.865 590 S HN 0.752 nan 8.310 nan 0.000 0.498 591 P HA 0.130 nan 4.420 nan 0.000 0.249 591 P C 0.483 177.707 177.300 -0.128 0.000 1.229 591 P CA -0.037 62.884 63.100 -0.298 0.000 0.788 591 P CB -0.529 30.805 31.700 -0.609 0.000 1.072 592 I N -1.035 119.500 120.570 -0.058 0.000 2.892 592 I HA 0.241 4.410 4.170 -0.001 0.000 0.287 592 I C 0.293 176.410 176.117 -0.000 0.000 1.205 592 I CA -0.720 60.571 61.300 -0.016 0.000 1.409 592 I CB 0.420 38.419 38.000 -0.002 0.000 1.367 592 I HN -0.241 nan 8.210 nan 0.000 0.597 593 V N 0.000 119.925 119.914 0.019 0.000 2.409 593 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 593 V CA 0.000 62.322 62.300 0.036 0.000 1.235 593 V CB 0.000 31.854 31.823 0.051 0.000 1.184 593 V HN 0.000 nan 8.190 nan 0.000 0.556