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 3h4k_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 3.960 3.960 -0.000 0.000 0.244 6 G C 0.000 174.966 174.900 0.111 0.000 0.946 6 G CA 0.000 45.136 45.100 0.060 0.000 0.502 7 T N 1.614 116.214 114.554 0.078 0.000 2.665 7 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 7 T C 2.515 177.346 174.700 0.218 0.000 1.035 7 T CA 2.523 64.700 62.100 0.129 0.000 1.151 7 T CB -0.442 68.464 68.868 0.063 0.000 0.862 7 T HN 0.366 nan 8.240 nan 0.000 0.438 8 S N 0.351 116.140 115.700 0.148 0.000 2.353 8 S HA -0.198 4.272 4.470 -0.000 0.000 0.222 8 S C 2.234 176.929 174.600 0.159 0.000 1.035 8 S CA 1.899 60.186 58.200 0.144 0.000 1.025 8 S CB -0.399 62.857 63.200 0.093 0.000 0.902 8 S HN 0.584 nan 8.310 nan 0.000 0.440 9 Q N -1.192 118.695 119.800 0.145 0.000 2.079 9 Q HA -0.167 4.173 4.340 -0.000 0.000 0.200 9 Q C 1.955 178.038 176.000 0.138 0.000 0.974 9 Q CA 1.788 57.665 55.803 0.124 0.000 0.840 9 Q CB -0.390 28.412 28.738 0.107 0.000 0.898 9 Q HN 0.811 nan 8.270 nan 0.000 0.430 10 W N 0.662 121.966 121.300 0.006 0.000 2.338 10 W HA -0.239 4.421 4.660 0.001 0.000 0.304 10 W C 1.701 178.200 176.519 -0.032 0.000 1.212 10 W CA 1.356 58.693 57.345 -0.012 0.000 1.264 10 W CB -0.319 29.134 29.460 -0.012 0.000 1.142 10 W HN 0.279 nan 8.180 nan 0.000 0.512 11 L N 1.336 122.548 121.223 -0.020 0.000 2.072 11 L HA -0.051 4.289 4.340 -0.000 0.000 0.205 11 L C 2.809 179.392 176.870 -0.479 0.000 1.079 11 L CA 2.081 56.701 54.840 -0.366 0.000 0.752 11 L CB -1.101 40.914 42.059 -0.074 0.000 0.906 11 L HN 0.017 nan 8.230 nan 0.000 0.436 12 R N -0.239 120.166 120.500 -0.158 0.000 2.080 12 R HA -0.205 4.135 4.340 -0.000 0.000 0.236 12 R C 2.301 178.500 176.300 -0.168 0.000 1.137 12 R CA 1.985 58.062 56.100 -0.039 0.000 0.943 12 R CB -0.157 30.249 30.300 0.175 0.000 0.846 12 R HN 0.361 nan 8.270 nan 0.000 0.431 13 K N -0.751 119.543 120.400 -0.175 0.000 2.063 13 K HA -0.101 4.219 4.320 -0.000 0.000 0.208 13 K C 2.097 178.513 176.600 -0.307 0.000 1.048 13 K CA 2.069 58.244 56.287 -0.187 0.000 0.928 13 K CB -0.176 32.237 32.500 -0.144 0.000 0.713 13 K HN 0.227 nan 8.250 nan 0.000 0.442 14 T N 1.006 115.244 114.554 -0.527 0.000 2.708 14 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 14 T C 2.032 176.481 174.700 -0.419 0.000 1.037 14 T CA 1.277 63.019 62.100 -0.596 0.000 1.146 14 T CB -0.186 68.055 68.868 -1.044 0.000 0.865 14 T HN -0.048 nan 8.240 nan 0.000 0.435 15 V N 2.062 121.693 119.914 -0.472 0.000 2.358 15 V HA -0.140 3.980 4.120 -0.000 0.000 0.246 15 V C 2.246 178.226 176.094 -0.189 0.000 1.047 15 V CA 1.694 63.733 62.300 -0.435 0.000 1.035 15 V CB -0.517 30.800 31.823 -0.844 0.000 0.658 15 V HN 0.428 nan 8.190 nan 0.000 0.452 16 D N -0.764 119.552 120.400 -0.140 0.000 2.264 16 D HA -0.096 4.544 4.640 -0.000 0.000 0.208 16 D C 2.279 178.575 176.300 -0.007 0.000 0.966 16 D CA 1.520 55.508 54.000 -0.020 0.000 0.864 16 D CB 0.061 40.866 40.800 0.009 0.000 0.933 16 D HN 0.427 nan 8.370 nan 0.000 0.499 17 S N -0.726 114.929 115.700 -0.075 0.000 2.499 17 S HA 0.265 4.734 4.470 -0.000 0.000 0.225 17 S C 0.867 175.447 174.600 -0.033 0.000 1.050 17 S CA 0.006 58.152 58.200 -0.090 0.000 0.928 17 S CB 0.148 63.225 63.200 -0.205 0.000 0.803 17 S HN 0.197 nan 8.310 nan 0.000 0.506 18 A N 1.041 123.844 122.820 -0.028 0.000 2.477 18 A HA 0.667 4.987 4.320 -0.000 0.000 0.246 18 A C 1.291 178.998 177.584 0.206 0.000 1.078 18 A CA 0.422 52.524 52.037 0.108 0.000 0.770 18 A CB 0.156 19.145 19.000 -0.019 0.000 1.011 18 A HN 0.575 nan 8.150 nan 0.000 0.494 19 A N 2.294 125.295 122.820 0.302 0.000 1.861 19 A HA 0.390 4.710 4.320 -0.000 0.000 0.212 19 A C 0.636 178.304 177.584 0.140 0.000 1.199 19 A CA 1.497 53.652 52.037 0.196 0.000 0.613 19 A CB -0.153 18.915 19.000 0.113 0.000 0.846 19 A HN 1.109 nan 8.150 nan 0.000 0.446 20 V N 0.145 120.141 119.914 0.137 0.000 2.524 20 V HA 0.569 4.689 4.120 -0.000 0.000 0.297 20 V C -0.892 175.286 176.094 0.141 0.000 1.035 20 V CA -0.203 62.176 62.300 0.132 0.000 0.867 20 V CB 1.306 33.201 31.823 0.120 0.000 1.004 20 V HN 0.441 nan 8.190 nan 0.000 0.426 21 I N 4.930 125.573 120.570 0.123 0.000 2.619 21 I HA 0.668 4.838 4.170 -0.000 0.000 0.292 21 I C -1.816 174.327 176.117 0.044 0.000 1.100 21 I CA -0.993 60.322 61.300 0.024 0.000 1.043 21 I CB 2.249 40.153 38.000 -0.160 0.000 1.239 21 I HN 0.604 nan 8.210 nan 0.000 0.420 22 L N 7.786 129.001 121.223 -0.013 0.000 2.343 22 L HA 0.561 4.901 4.340 -0.000 0.000 0.278 22 L C -1.508 175.335 176.870 -0.045 0.000 0.996 22 L CA 0.008 54.880 54.840 0.053 0.000 0.831 22 L CB 1.116 43.211 42.059 0.060 0.000 1.232 22 L HN 0.371 nan 8.230 nan 0.000 0.413 23 F N 3.722 123.794 119.950 0.203 0.000 2.420 23 F HA 0.617 5.144 4.527 -0.000 0.000 0.352 23 F C 0.857 176.747 175.800 0.151 0.000 1.108 23 F CA 0.348 58.452 58.000 0.174 0.000 1.162 23 F CB 1.509 40.626 39.000 0.194 0.000 1.118 23 F HN 0.548 nan 8.300 nan 0.000 0.510 24 S N 3.037 118.896 115.700 0.265 0.000 2.705 24 S HA 0.699 5.169 4.470 -0.000 0.000 0.280 24 S C -1.374 173.316 174.600 0.150 0.000 1.174 24 S CA -0.892 57.418 58.200 0.184 0.000 0.823 24 S CB 1.573 64.857 63.200 0.141 0.000 1.162 24 S HN 0.582 nan 8.310 nan 0.000 0.487 25 K N 0.733 121.205 120.400 0.120 0.000 2.422 25 K HA 0.346 4.666 4.320 -0.000 0.000 0.251 25 K C 0.799 177.445 176.600 0.077 0.000 0.933 25 K CA -0.324 56.019 56.287 0.093 0.000 0.798 25 K CB 1.708 34.260 32.500 0.088 0.000 1.238 25 K HN 0.790 nan 8.250 nan 0.000 0.428 26 T N -2.681 111.909 114.554 0.059 0.000 2.833 26 T HA -0.129 4.221 4.350 -0.000 0.000 0.269 26 T C 1.109 175.835 174.700 0.042 0.000 1.054 26 T CA 1.315 63.443 62.100 0.046 0.000 1.135 26 T CB -0.427 68.462 68.868 0.034 0.000 0.869 26 T HN 0.653 nan 8.240 nan 0.000 0.466 27 T N -0.428 114.154 114.554 0.046 0.000 3.383 27 T HA 0.550 4.900 4.350 -0.000 0.000 0.324 27 T C -0.413 174.322 174.700 0.057 0.000 1.822 27 T CA -0.967 61.157 62.100 0.042 0.000 1.424 27 T CB -0.668 68.221 68.868 0.035 0.000 1.093 27 T HN 0.450 nan 8.240 nan 0.000 0.748 28 C N 4.602 123.939 119.300 0.062 0.000 2.705 28 C HA 0.569 5.028 4.460 -0.000 0.000 0.369 28 C C -1.771 173.253 174.990 0.056 0.000 1.069 28 C CA -1.557 57.516 59.018 0.091 0.000 1.260 28 C CB 1.797 29.617 27.740 0.133 0.000 1.764 28 C HN 0.461 nan 8.230 nan 0.000 0.469 29 P HA -0.042 nan 4.420 nan 0.000 0.225 29 P C 0.823 178.021 177.300 -0.170 0.000 1.156 29 P CA 1.350 64.373 63.100 -0.128 0.000 0.787 29 P CB 0.136 31.687 31.700 -0.247 0.000 0.802 30 Y N -0.415 119.896 120.300 0.019 0.000 2.286 30 Y HA -0.094 4.456 4.550 -0.000 0.000 0.293 30 Y C 2.880 178.790 175.900 0.018 0.000 1.124 30 Y CA 0.800 58.911 58.100 0.017 0.000 1.178 30 Y CB -1.464 37.011 38.460 0.025 0.000 1.010 30 Y HN 0.001 nan 8.280 nan 0.000 0.536 31 C N 0.128 119.535 119.300 0.178 0.000 2.429 31 C HA -0.174 4.286 4.460 -0.000 0.000 0.277 31 C C 2.733 177.760 174.990 0.062 0.000 1.262 31 C CA 1.186 60.273 59.018 0.114 0.000 1.733 31 C CB -0.787 27.022 27.740 0.114 0.000 2.010 31 C HN 0.495 nan 8.230 nan 0.000 0.483 32 K N 0.920 121.343 120.400 0.039 0.000 2.097 32 K HA -0.145 4.175 4.320 -0.000 0.000 0.205 32 K C 2.041 178.634 176.600 -0.011 0.000 1.050 32 K CA 1.264 57.558 56.287 0.011 0.000 0.938 32 K CB -0.101 32.396 32.500 -0.005 0.000 0.718 32 K HN 0.444 nan 8.250 nan 0.000 0.442 33 K N 0.054 120.444 120.400 -0.017 0.000 2.097 33 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 33 K C 1.929 178.499 176.600 -0.050 0.000 1.049 33 K CA 1.349 57.617 56.287 -0.032 0.000 0.933 33 K CB 0.073 32.559 32.500 -0.023 0.000 0.717 33 K HN 0.003 nan 8.250 nan 0.000 0.442 34 V N 1.485 121.380 119.914 -0.031 0.000 2.323 34 V HA -0.209 3.911 4.120 -0.000 0.000 0.244 34 V C 1.978 178.006 176.094 -0.110 0.000 1.041 34 V CA 1.570 63.824 62.300 -0.076 0.000 1.025 34 V CB -0.340 31.455 31.823 -0.046 0.000 0.656 34 V HN 0.257 nan 8.190 nan 0.000 0.451 35 K N 0.094 120.462 120.400 -0.053 0.000 2.063 35 K HA -0.218 4.102 4.320 -0.000 0.000 0.208 35 K C 1.877 178.467 176.600 -0.018 0.000 1.048 35 K CA 1.887 58.170 56.287 -0.007 0.000 0.928 35 K CB -0.305 32.228 32.500 0.054 0.000 0.713 35 K HN 0.446 nan 8.250 nan 0.000 0.442 36 D N 0.191 120.565 120.400 -0.044 0.000 2.178 36 D HA -0.096 4.544 4.640 -0.000 0.000 0.202 36 D C 1.904 178.132 176.300 -0.121 0.000 0.974 36 D CA 0.692 54.659 54.000 -0.056 0.000 0.841 36 D CB -0.090 40.682 40.800 -0.045 0.000 0.953 36 D HN -0.062 nan 8.370 nan 0.000 0.478 37 V N 0.862 120.648 119.914 -0.212 0.000 2.323 37 V HA -0.157 3.962 4.120 -0.000 0.000 0.244 37 V C 2.538 178.414 176.094 -0.362 0.000 1.041 37 V CA 1.003 63.030 62.300 -0.455 0.000 1.025 37 V CB -0.290 31.172 31.823 -0.602 0.000 0.656 37 V HN 0.190 nan 8.190 nan 0.000 0.451 38 L N -0.038 121.055 121.223 -0.216 0.000 2.141 38 L HA -0.116 4.223 4.340 -0.000 0.000 0.209 38 L C 2.650 179.510 176.870 -0.017 0.000 1.094 38 L CA 1.440 56.209 54.840 -0.119 0.000 0.763 38 L CB -0.741 41.213 42.059 -0.174 0.000 0.908 38 L HN 0.364 nan 8.230 nan 0.000 0.437 39 A N -0.401 122.417 122.820 -0.004 0.000 1.929 39 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 39 A C 2.259 179.845 177.584 0.004 0.000 1.176 39 A CA 1.480 53.528 52.037 0.019 0.000 0.628 39 A CB -0.332 18.681 19.000 0.021 0.000 0.816 39 A HN 0.426 nan 8.150 nan 0.000 0.444 40 E N -0.245 119.941 120.200 -0.023 0.000 2.072 40 E HA -0.037 4.313 4.350 -0.000 0.000 0.190 40 E C 1.863 178.500 176.600 0.061 0.000 0.982 40 E CA 0.794 57.203 56.400 0.015 0.000 0.803 40 E CB -0.161 29.545 29.700 0.011 0.000 0.755 40 E HN 0.528 nan 8.360 nan 0.000 0.453 41 A N 0.532 123.384 122.820 0.052 0.000 2.235 41 A HA -0.007 4.313 4.320 -0.000 0.000 0.208 41 A C 0.534 178.157 177.584 0.064 0.000 1.172 41 A CA 0.479 52.585 52.037 0.115 0.000 0.786 41 A CB -0.226 18.870 19.000 0.161 0.000 0.804 41 A HN 0.276 nan 8.150 nan 0.000 0.479 42 K N -0.905 119.520 120.400 0.041 0.000 3.088 42 K HA -0.142 4.178 4.320 -0.000 0.000 0.273 42 K C -0.626 175.996 176.600 0.037 0.000 1.111 42 K CA 0.673 56.979 56.287 0.032 0.000 0.803 42 K CB -1.502 31.013 32.500 0.025 0.000 1.226 42 K HN 0.420 nan 8.250 nan 0.000 0.485 43 I N 2.171 122.770 120.570 0.049 0.000 2.322 43 I HA 0.094 4.264 4.170 -0.000 0.000 0.292 43 I C 0.812 177.005 176.117 0.127 0.000 1.060 43 I CA 0.082 61.419 61.300 0.062 0.000 1.309 43 I CB 0.685 38.710 38.000 0.040 0.000 1.415 43 I HN 0.017 nan 8.210 nan 0.000 0.492 44 K N 6.388 126.839 120.400 0.086 0.000 2.270 44 K HA 0.415 4.735 4.320 -0.000 0.000 0.276 44 K C -0.404 176.284 176.600 0.147 0.000 1.023 44 K CA -0.262 56.065 56.287 0.068 0.000 0.955 44 K CB 0.818 33.300 32.500 -0.030 0.000 0.975 44 K HN 0.728 nan 8.250 nan 0.000 0.471 45 H N -1.743 117.345 119.070 0.031 0.000 3.042 45 H HA 0.565 5.121 4.556 -0.000 0.000 0.346 45 H C -1.618 173.787 175.328 0.128 0.000 1.294 45 H CA -1.227 54.860 56.048 0.065 0.000 1.141 45 H CB 0.978 30.762 29.762 0.036 0.000 1.872 45 H HN 0.570 nan 8.280 nan 0.000 0.541 46 A N 1.261 124.181 122.820 0.167 0.000 2.354 46 A HA 0.580 4.899 4.320 -0.000 0.000 0.269 46 A C -0.408 177.215 177.584 0.064 0.000 1.109 46 A CA -0.160 51.924 52.037 0.079 0.000 0.800 46 A CB 0.240 19.205 19.000 -0.058 0.000 1.045 46 A HN 0.721 nan 8.150 nan 0.000 0.489 47 T N 3.207 117.763 114.554 0.003 0.000 2.812 47 T HA 0.491 4.841 4.350 -0.000 0.000 0.282 47 T C -0.537 174.143 174.700 -0.033 0.000 0.990 47 T CA -0.217 61.902 62.100 0.031 0.000 0.960 47 T CB 0.735 69.645 68.868 0.070 0.000 0.948 47 T HN 0.387 nan 8.240 nan 0.000 0.438 48 I N 3.463 123.992 120.570 -0.067 0.000 2.371 48 I HA 0.249 4.419 4.170 -0.000 0.000 0.282 48 I C 0.245 176.412 176.117 0.082 0.000 1.031 48 I CA -0.909 60.386 61.300 -0.007 0.000 1.180 48 I CB 1.142 39.122 38.000 -0.034 0.000 1.336 48 I HN 0.577 nan 8.210 nan 0.000 0.467 49 E N 6.699 126.942 120.200 0.071 0.000 2.070 49 E HA 0.165 4.515 4.350 -0.000 0.000 0.282 49 E C 1.033 177.684 176.600 0.085 0.000 1.104 49 E CA -0.190 56.258 56.400 0.080 0.000 0.876 49 E CB 1.706 31.437 29.700 0.051 0.000 1.055 49 E HN 0.531 nan 8.360 nan 0.000 0.401 50 L N 2.068 123.362 121.223 0.118 0.000 2.217 50 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 50 L C 1.858 178.762 176.870 0.057 0.000 1.107 50 L CA 0.906 55.811 54.840 0.107 0.000 0.783 50 L CB -0.161 41.984 42.059 0.144 0.000 0.919 50 L HN 0.425 nan 8.230 nan 0.000 0.442 51 D N -0.628 119.804 120.400 0.053 0.000 2.363 51 D HA -0.187 4.453 4.640 -0.000 0.000 0.220 51 D C 1.517 177.827 176.300 0.017 0.000 0.994 51 D CA 0.619 54.639 54.000 0.033 0.000 0.890 51 D CB -0.016 40.806 40.800 0.037 0.000 0.906 51 D HN 0.423 nan 8.370 nan 0.000 0.530 52 Q N -0.149 119.660 119.800 0.015 0.000 2.319 52 Q HA 0.293 4.633 4.340 -0.000 0.000 0.202 52 Q C 0.130 176.118 176.000 -0.021 0.000 0.896 52 Q CA 0.043 55.845 55.803 -0.001 0.000 0.942 52 Q CB 0.986 29.725 28.738 0.002 0.000 1.083 52 Q HN 0.305 nan 8.270 nan 0.000 0.510 53 L N -0.399 120.810 121.223 -0.025 0.000 2.354 53 L HA 0.273 4.613 4.340 -0.000 0.000 0.269 53 L C 1.218 178.056 176.870 -0.053 0.000 1.005 53 L CA -0.429 54.375 54.840 -0.059 0.000 0.819 53 L CB 1.812 43.817 42.059 -0.091 0.000 1.311 53 L HN 0.010 nan 8.230 nan 0.000 0.423 54 S N 0.103 115.761 115.700 -0.070 0.000 2.371 54 S HA -0.125 4.345 4.470 -0.000 0.000 0.224 54 S C 1.084 175.650 174.600 -0.055 0.000 1.029 54 S CA 1.034 59.201 58.200 -0.056 0.000 0.978 54 S CB -0.348 62.817 63.200 -0.059 0.000 0.833 54 S HN 0.845 nan 8.310 nan 0.000 0.466 55 N N 1.736 120.387 118.700 -0.082 0.000 2.322 55 N HA 0.194 4.933 4.740 -0.000 0.000 0.216 55 N C 1.300 176.780 175.510 -0.049 0.000 1.144 55 N CA 0.515 53.523 53.050 -0.071 0.000 0.830 55 N CB -0.652 37.775 38.487 -0.101 0.000 1.034 55 N HN 0.465 nan 8.380 nan 0.000 0.484 56 G N 0.726 109.507 108.800 -0.032 0.000 2.422 56 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 56 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 56 G C 1.477 176.390 174.900 0.022 0.000 1.146 56 G CA 0.715 45.820 45.100 0.008 0.000 0.769 56 G HN 0.415 nan 8.290 nan 0.000 0.547 57 S N 0.951 116.657 115.700 0.010 0.000 2.383 57 S HA 0.055 4.525 4.470 -0.000 0.000 0.227 57 S C 2.732 177.338 174.600 0.011 0.000 1.026 57 S CA 1.038 59.245 58.200 0.012 0.000 0.981 57 S CB -0.247 62.957 63.200 0.006 0.000 0.818 57 S HN 0.574 nan 8.310 nan 0.000 0.472 58 A N 1.343 124.167 122.820 0.007 0.000 1.930 58 A HA 0.045 4.364 4.320 -0.000 0.000 0.217 58 A C 2.016 179.617 177.584 0.028 0.000 1.175 58 A CA 0.905 52.949 52.037 0.013 0.000 0.627 58 A CB -0.603 18.400 19.000 0.006 0.000 0.815 58 A HN 0.477 nan 8.150 nan 0.000 0.443 59 I N -0.492 120.100 120.570 0.037 0.000 2.226 59 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 59 I C 2.723 178.847 176.117 0.012 0.000 1.100 59 I CA 1.379 62.715 61.300 0.059 0.000 1.374 59 I CB -0.407 37.664 38.000 0.118 0.000 1.057 59 I HN 0.414 nan 8.210 nan 0.000 0.413 60 Q N 0.786 120.594 119.800 0.013 0.000 2.096 60 Q HA -0.237 4.103 4.340 -0.000 0.000 0.204 60 Q C 2.166 178.163 176.000 -0.006 0.000 0.982 60 Q CA 1.516 57.318 55.803 -0.001 0.000 0.850 60 Q CB -0.097 28.651 28.738 0.016 0.000 0.901 60 Q HN 0.497 nan 8.270 nan 0.000 0.422 61 K N -0.332 120.071 120.400 0.004 0.000 2.155 61 K HA -0.060 4.260 4.320 -0.000 0.000 0.203 61 K C 2.081 178.687 176.600 0.010 0.000 1.052 61 K CA 1.020 57.308 56.287 0.001 0.000 0.948 61 K CB 0.024 32.525 32.500 0.003 0.000 0.728 61 K HN 0.232 nan 8.250 nan 0.000 0.448 62 C N 0.928 120.247 119.300 0.032 0.000 2.464 62 C HA 0.063 4.523 4.460 -0.000 0.000 0.278 62 C C 2.354 177.427 174.990 0.138 0.000 1.375 62 C CA 0.169 59.232 59.018 0.075 0.000 1.761 62 C CB -0.704 27.102 27.740 0.109 0.000 1.944 62 C HN 0.398 nan 8.230 nan 0.000 0.509 63 L N 1.017 122.276 121.223 0.060 0.000 2.275 63 L HA -0.099 4.241 4.340 -0.000 0.000 0.215 63 L C 2.719 179.644 176.870 0.091 0.000 1.119 63 L CA 1.082 55.958 54.840 0.061 0.000 0.790 63 L CB -0.429 41.557 42.059 -0.121 0.000 0.919 63 L HN 0.336 nan 8.230 nan 0.000 0.443 64 A N -1.003 121.825 122.820 0.012 0.000 2.015 64 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 64 A C 2.438 179.983 177.584 -0.065 0.000 1.163 64 A CA 1.773 53.783 52.037 -0.046 0.000 0.646 64 A CB -0.378 18.593 19.000 -0.049 0.000 0.806 64 A HN 0.358 nan 8.150 nan 0.000 0.448 65 S N -1.198 114.452 115.700 -0.084 0.000 2.474 65 S HA 0.007 4.477 4.470 -0.000 0.000 0.235 65 S C 1.134 175.515 174.600 -0.365 0.000 0.997 65 S CA 1.046 59.091 58.200 -0.258 0.000 0.949 65 S CB -0.371 62.592 63.200 -0.395 0.000 0.766 65 S HN 0.622 nan 8.310 nan 0.000 0.517 66 F N 0.640 120.580 119.950 -0.016 0.000 2.678 66 F HA 0.184 4.710 4.527 -0.001 0.000 0.291 66 F C 2.159 177.986 175.800 0.045 0.000 1.123 66 F CA 0.430 58.484 58.000 0.089 0.000 1.395 66 F CB 0.275 39.370 39.000 0.159 0.000 1.121 66 F HN 0.204 nan 8.300 nan 0.000 0.592 67 S N -1.809 113.869 115.700 -0.037 0.000 2.744 67 S HA 0.229 4.698 4.470 -0.000 0.000 0.265 67 S C 0.871 175.183 174.600 -0.480 0.000 1.065 67 S CA -0.155 57.667 58.200 -0.630 0.000 1.191 67 S CB 0.255 62.669 63.200 -1.310 0.000 1.150 67 S HN 0.230 nan 8.310 nan 0.000 0.646 68 K N 0.234 120.499 120.400 -0.225 0.000 3.606 68 K HA -0.194 4.126 4.320 -0.000 0.000 0.289 68 K C 0.146 176.661 176.600 -0.142 0.000 1.221 68 K CA 1.578 57.777 56.287 -0.147 0.000 1.028 68 K CB -2.088 30.349 32.500 -0.105 0.000 1.299 68 K HN 0.801 nan 8.250 nan 0.000 0.454 69 I N -2.028 118.418 120.570 -0.207 0.000 2.750 69 I HA 0.325 4.495 4.170 -0.000 0.000 0.308 69 I C 0.507 176.562 176.117 -0.103 0.000 1.016 69 I CA -0.686 60.531 61.300 -0.139 0.000 1.098 69 I CB 1.861 39.785 38.000 -0.126 0.000 1.279 69 I HN -0.012 nan 8.210 nan 0.000 0.454 70 E N 1.370 121.536 120.200 -0.057 0.000 2.562 70 E HA 0.089 4.439 4.350 -0.000 0.000 0.214 70 E C 0.040 176.635 176.600 -0.008 0.000 0.979 70 E CA -0.043 56.339 56.400 -0.031 0.000 1.002 70 E CB 0.805 30.491 29.700 -0.023 0.000 1.048 70 E HN 0.882 nan 8.360 nan 0.000 0.488 71 T N -0.601 113.948 114.554 -0.009 0.000 2.847 71 T HA 0.449 4.799 4.350 -0.000 0.000 0.279 71 T C 0.401 175.132 174.700 0.051 0.000 0.984 71 T CA -0.861 61.244 62.100 0.008 0.000 0.988 71 T CB 1.567 70.420 68.868 -0.025 0.000 1.040 71 T HN -0.067 nan 8.240 nan 0.000 0.528 72 V N -1.986 117.969 119.914 0.067 0.000 2.715 72 V HA 0.810 4.929 4.120 -0.000 0.000 0.310 72 V C -2.786 173.373 176.094 0.107 0.000 1.054 72 V CA -2.695 59.678 62.300 0.121 0.000 0.928 72 V CB 1.228 33.138 31.823 0.146 0.000 1.007 72 V HN 0.912 nan 8.190 nan 0.000 0.437 73 P HA 0.463 nan 4.420 nan 0.000 0.281 73 P C -1.323 176.111 177.300 0.224 0.000 1.249 73 P CA -0.397 62.812 63.100 0.181 0.000 0.810 73 P CB 1.042 32.830 31.700 0.147 0.000 1.008 74 Q N 1.155 121.157 119.800 0.337 0.000 2.327 74 Q HA 0.504 4.844 4.340 -0.000 0.000 0.270 74 Q C -0.612 175.665 176.000 0.462 0.000 1.022 74 Q CA -0.416 55.663 55.803 0.459 0.000 0.773 74 Q CB 2.290 31.343 28.738 0.526 0.000 1.251 74 Q HN 0.458 nan 8.270 nan 0.000 0.457 75 M N 3.181 122.884 119.600 0.172 0.000 2.157 75 M HA 0.481 4.961 4.480 -0.000 0.000 0.354 75 M C -1.667 174.590 176.300 -0.071 0.000 1.170 75 M CA -0.375 54.977 55.300 0.086 0.000 1.060 75 M CB 0.618 33.191 32.600 -0.046 0.000 1.615 75 M HN 0.499 nan 8.290 nan 0.000 0.460 76 F N 3.606 123.649 119.950 0.154 0.000 2.495 76 F HA 0.598 5.125 4.527 -0.001 0.000 0.327 76 F C -0.548 175.295 175.800 0.070 0.000 1.103 76 F CA -0.695 57.395 58.000 0.149 0.000 0.949 76 F CB 1.985 41.122 39.000 0.229 0.000 1.142 76 F HN 0.160 nan 8.300 nan 0.000 0.457 77 V N 3.631 123.666 119.914 0.201 0.000 2.380 77 V HA 0.406 4.526 4.120 -0.000 0.000 0.286 77 V C -0.195 175.984 176.094 0.143 0.000 1.015 77 V CA -1.220 61.155 62.300 0.125 0.000 0.834 77 V CB 1.250 33.091 31.823 0.030 0.000 1.009 77 V HN 0.737 nan 8.190 nan 0.000 0.428 78 R N 3.566 124.157 120.500 0.152 0.000 3.264 78 R HA -0.207 4.132 4.340 -0.000 0.000 0.251 78 R C 1.160 177.551 176.300 0.152 0.000 0.971 78 R CA 0.706 56.892 56.100 0.143 0.000 0.658 78 R CB -1.472 28.898 30.300 0.116 0.000 1.095 78 R HN 1.564 nan 8.270 nan 0.000 0.443 79 G N -0.392 108.517 108.800 0.182 0.000 2.143 79 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.249 79 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.249 79 G C -0.045 175.040 174.900 0.308 0.000 0.981 79 G CA 0.611 45.828 45.100 0.195 0.000 0.665 79 G HN 0.439 nan 8.290 nan 0.000 0.528 80 K N -0.259 120.354 120.400 0.354 0.000 2.443 80 K HA 0.592 4.911 4.320 -0.000 0.000 0.252 80 K C -0.590 176.179 176.600 0.282 0.000 0.933 80 K CA -1.238 55.242 56.287 0.321 0.000 0.792 80 K CB 1.174 33.768 32.500 0.157 0.000 1.185 80 K HN 0.080 nan 8.250 nan 0.000 0.425 81 F N 5.955 125.893 119.950 -0.021 0.000 2.538 81 F HA 0.117 4.644 4.527 -0.000 0.000 0.371 81 F C 1.017 176.681 175.800 -0.227 0.000 1.087 81 F CA 0.128 57.800 58.000 -0.547 0.000 1.250 81 F CB 0.569 39.272 39.000 -0.496 0.000 1.110 81 F HN 0.605 nan 8.300 nan 0.000 0.570 82 I N 2.214 122.215 120.570 -0.949 0.000 4.032 82 I HA 0.670 4.840 4.170 -0.000 0.000 0.313 82 I C 0.583 176.310 176.117 -0.649 0.000 1.272 82 I CA 0.303 61.257 61.300 -0.578 0.000 1.307 82 I CB 0.358 38.176 38.000 -0.304 0.000 1.155 82 I HN 0.689 nan 8.210 nan 0.000 0.431 83 G N 1.549 109.560 108.800 -1.316 0.000 2.339 83 G HA2 0.247 4.207 3.960 -0.000 0.000 0.302 83 G HA3 0.247 4.207 3.960 -0.000 0.000 0.302 83 G C -1.980 172.693 174.900 -0.378 0.000 1.425 83 G CA -0.186 44.466 45.100 -0.745 0.000 0.899 83 G HN 0.343 nan 8.290 nan 0.000 0.619 84 D N -1.028 119.362 120.400 -0.015 0.000 2.511 84 D HA 0.502 5.142 4.640 -0.000 0.000 0.276 84 D C 2.026 178.335 176.300 0.014 0.000 1.220 84 D CA 0.446 54.495 54.000 0.081 0.000 1.077 84 D CB 0.257 41.126 40.800 0.115 0.000 1.126 84 D HN 0.789 nan 8.370 nan 0.000 0.583 85 S N -1.343 114.383 115.700 0.042 0.000 2.383 85 S HA -0.335 4.135 4.470 -0.000 0.000 0.229 85 S C 1.829 176.455 174.600 0.042 0.000 1.030 85 S CA 1.599 59.838 58.200 0.064 0.000 1.002 85 S CB -0.724 62.572 63.200 0.159 0.000 0.829 85 S HN 0.621 nan 8.310 nan 0.000 0.467 86 Q N 0.908 120.719 119.800 0.018 0.000 2.119 86 Q HA -0.085 4.255 4.340 -0.000 0.000 0.201 86 Q C 1.868 177.822 176.000 -0.077 0.000 0.972 86 Q CA 1.792 57.592 55.803 -0.006 0.000 0.847 86 Q CB -0.307 28.421 28.738 -0.016 0.000 0.903 86 Q HN 0.755 nan 8.270 nan 0.000 0.433 87 T N -0.446 114.033 114.554 -0.125 0.000 2.896 87 T HA -0.034 4.316 4.350 -0.000 0.000 0.263 87 T C 1.864 176.367 174.700 -0.328 0.000 1.050 87 T CA 0.961 62.883 62.100 -0.298 0.000 1.140 87 T CB -0.113 68.581 68.868 -0.291 0.000 0.877 87 T HN 0.054 nan 8.240 nan 0.000 0.457 88 V N 1.450 121.306 119.914 -0.097 0.000 2.343 88 V HA -0.086 4.034 4.120 -0.000 0.000 0.247 88 V C 2.398 178.534 176.094 0.070 0.000 1.051 88 V CA 1.341 63.668 62.300 0.045 0.000 1.036 88 V CB -0.621 31.209 31.823 0.012 0.000 0.654 88 V HN 0.307 nan 8.190 nan 0.000 0.451 89 L N -0.244 120.997 121.223 0.030 0.000 2.201 89 L HA -0.079 4.261 4.340 -0.000 0.000 0.212 89 L C 2.394 179.317 176.870 0.089 0.000 1.105 89 L CA 1.631 56.524 54.840 0.089 0.000 0.775 89 L CB -0.657 41.440 42.059 0.063 0.000 0.913 89 L HN 0.203 nan 8.230 nan 0.000 0.440 90 K N -1.175 119.202 120.400 -0.037 0.000 2.103 90 K HA -0.162 4.158 4.320 -0.000 0.000 0.204 90 K C 2.147 178.717 176.600 -0.051 0.000 1.052 90 K CA 1.322 57.550 56.287 -0.098 0.000 0.945 90 K CB -0.052 32.310 32.500 -0.229 0.000 0.722 90 K HN 0.219 nan 8.250 nan 0.000 0.443 91 Y N -0.421 119.900 120.300 0.035 0.000 2.220 91 Y HA -0.193 4.357 4.550 0.001 0.000 0.291 91 Y C 2.204 178.144 175.900 0.066 0.000 1.129 91 Y CA 0.960 59.077 58.100 0.028 0.000 1.161 91 Y CB -0.941 37.523 38.460 0.007 0.000 0.997 91 Y HN 0.152 nan 8.280 nan 0.000 0.522 92 Y N 0.867 121.242 120.300 0.125 0.000 2.333 92 Y HA -0.222 4.328 4.550 -0.000 0.000 0.290 92 Y C 2.601 178.525 175.900 0.039 0.000 1.144 92 Y CA 1.069 59.206 58.100 0.062 0.000 1.228 92 Y CB -0.379 38.103 38.460 0.038 0.000 0.985 92 Y HN 0.176 nan 8.280 nan 0.000 0.542 93 S N -0.283 115.428 115.700 0.018 0.000 2.371 93 S HA -0.177 4.293 4.470 -0.000 0.000 0.224 93 S C 1.399 175.953 174.600 -0.077 0.000 1.029 93 S CA 1.300 59.461 58.200 -0.065 0.000 0.978 93 S CB -0.901 62.297 63.200 -0.003 0.000 0.833 93 S HN 0.678 nan 8.310 nan 0.000 0.466 94 N N 1.598 120.288 118.700 -0.017 0.000 2.461 94 N HA 0.132 4.872 4.740 -0.000 0.000 0.188 94 N C -0.707 174.786 175.510 -0.028 0.000 1.134 94 N CA 0.502 53.546 53.050 -0.010 0.000 0.878 94 N CB -0.163 38.345 38.487 0.035 0.000 0.972 94 N HN 0.169 nan 8.380 nan 0.000 0.456 95 D N 0.238 120.600 120.400 -0.064 0.000 2.723 95 D HA -0.171 4.468 4.640 -0.000 0.000 0.236 95 D C 0.111 176.402 176.300 -0.014 0.000 1.138 95 D CA 0.770 54.729 54.000 -0.069 0.000 0.676 95 D CB -1.143 39.604 40.800 -0.088 0.000 1.069 95 D HN 0.577 nan 8.370 nan 0.000 0.430 96 E N -0.840 119.375 120.200 0.026 0.000 2.447 96 E HA 0.057 4.407 4.350 -0.000 0.000 0.204 96 E C 1.978 178.552 176.600 -0.043 0.000 0.977 96 E CA -0.346 56.053 56.400 -0.001 0.000 0.950 96 E CB 0.378 30.096 29.700 0.031 0.000 0.975 96 E HN 0.147 nan 8.360 nan 0.000 0.496 97 L N 1.373 122.615 121.223 0.030 0.000 2.083 97 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 97 L C 2.221 179.084 176.870 -0.013 0.000 1.083 97 L CA 1.833 56.681 54.840 0.014 0.000 0.752 97 L CB -0.430 41.723 42.059 0.158 0.000 0.899 97 L HN 0.060 nan 8.230 nan 0.000 0.433 98 A N -0.600 122.231 122.820 0.017 0.000 1.908 98 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 98 A C 2.333 179.900 177.584 -0.028 0.000 1.181 98 A CA 1.739 53.779 52.037 0.006 0.000 0.627 98 A CB -1.570 17.439 19.000 0.015 0.000 0.818 98 A HN 0.523 nan 8.150 nan 0.000 0.445 99 G N -0.383 108.389 108.800 -0.048 0.000 2.421 99 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.217 99 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.217 99 G C 1.487 176.333 174.900 -0.089 0.000 1.143 99 G CA 1.004 46.066 45.100 -0.064 0.000 0.784 99 G HN 0.493 nan 8.290 nan 0.000 0.541 100 I N 1.085 121.577 120.570 -0.130 0.000 2.252 100 I HA -0.128 4.042 4.170 -0.000 0.000 0.245 100 I C 2.832 178.885 176.117 -0.107 0.000 1.102 100 I CA 1.060 62.259 61.300 -0.170 0.000 1.385 100 I CB -0.206 37.607 38.000 -0.311 0.000 1.064 100 I HN 0.152 nan 8.210 nan 0.000 0.414 101 V N -1.720 118.148 119.914 -0.076 0.000 2.970 101 V HA -0.075 4.045 4.120 -0.000 0.000 0.260 101 V C 1.754 177.833 176.094 -0.025 0.000 1.100 101 V CA 1.928 64.206 62.300 -0.037 0.000 1.122 101 V CB -0.966 30.847 31.823 -0.017 0.000 0.721 101 V HN 0.391 nan 8.190 nan 0.000 0.483 102 N N 0.717 119.395 118.700 -0.037 0.000 2.373 102 N HA -0.003 4.736 4.740 -0.000 0.000 0.181 102 N C 0.834 176.318 175.510 -0.044 0.000 1.082 102 N CA 0.105 53.133 53.050 -0.037 0.000 0.885 102 N CB -0.084 38.379 38.487 -0.039 0.000 0.977 102 N HN 0.763 nan 8.380 nan 0.000 0.462 103 E N 0.438 120.608 120.200 -0.049 0.000 2.328 103 E HA 0.091 4.441 4.350 -0.000 0.000 0.265 103 E C -1.067 175.510 176.600 -0.038 0.000 1.057 103 E CA 0.077 56.446 56.400 -0.053 0.000 0.916 103 E CB 0.279 29.941 29.700 -0.063 0.000 0.993 103 E HN 0.086 nan 8.360 nan 0.000 0.446 104 S N 3.312 118.983 115.700 -0.049 0.000 2.564 104 S HA 0.218 4.688 4.470 -0.000 0.000 0.274 104 S C 0.232 174.771 174.600 -0.102 0.000 1.124 104 S CA -0.821 57.355 58.200 -0.040 0.000 0.869 104 S CB 1.625 64.823 63.200 -0.003 0.000 1.105 104 S HN 0.626 nan 8.310 nan 0.000 0.472 105 K N 1.049 121.341 120.400 -0.180 0.000 2.243 105 K HA 0.105 4.425 4.320 -0.000 0.000 0.201 105 K C -0.579 175.707 176.600 -0.524 0.000 1.051 105 K CA 0.889 56.932 56.287 -0.406 0.000 0.970 105 K CB 0.057 32.187 32.500 -0.616 0.000 0.755 105 K HN 0.632 nan 8.250 nan 0.000 0.465 106 Y N -0.019 120.258 120.300 -0.037 0.000 2.650 106 Y HA 0.158 4.708 4.550 -0.001 0.000 0.331 106 Y C 0.996 176.856 175.900 -0.067 0.000 1.082 106 Y CA -1.131 56.955 58.100 -0.025 0.000 1.171 106 Y CB 0.857 39.328 38.460 0.018 0.000 1.326 106 Y HN -0.132 nan 8.280 nan 0.000 0.513 107 D N -0.300 120.157 120.400 0.095 0.000 2.144 107 D HA -0.100 4.540 4.640 -0.000 0.000 0.200 107 D C -0.570 175.431 176.300 -0.499 0.000 0.978 107 D CA 1.848 55.716 54.000 -0.221 0.000 0.833 107 D CB 0.055 40.733 40.800 -0.203 0.000 0.961 107 D HN 0.367 nan 8.370 nan 0.000 0.470 108 Y N -0.099 120.270 120.300 0.115 0.000 2.524 108 Y HA 0.199 4.748 4.550 -0.001 0.000 0.347 108 Y C 0.858 176.814 175.900 0.094 0.000 1.005 108 Y CA -1.040 57.104 58.100 0.073 0.000 1.025 108 Y CB 1.627 40.112 38.460 0.042 0.000 1.275 108 Y HN -0.345 nan 8.280 nan 0.000 0.460 109 D N 0.893 121.423 120.400 0.216 0.000 2.224 109 D HA -0.010 4.630 4.640 -0.000 0.000 0.205 109 D C -0.303 176.133 176.300 0.227 0.000 0.965 109 D CA 1.410 55.523 54.000 0.189 0.000 0.852 109 D CB 0.560 41.391 40.800 0.052 0.000 0.947 109 D HN 0.226 nan 8.370 nan 0.000 0.494 110 L N 0.469 121.792 121.223 0.167 0.000 2.464 110 L HA 0.405 4.745 4.340 -0.000 0.000 0.266 110 L C -1.640 175.268 176.870 0.063 0.000 0.965 110 L CA -0.519 54.415 54.840 0.158 0.000 0.833 110 L CB 2.223 44.369 42.059 0.145 0.000 1.296 110 L HN -0.244 nan 8.230 nan 0.000 0.405 111 I N 5.447 126.046 120.570 0.048 0.000 2.389 111 I HA 0.468 4.638 4.170 -0.000 0.000 0.288 111 I C -0.772 175.346 176.117 0.001 0.000 0.999 111 I CA -0.941 60.338 61.300 -0.036 0.000 1.129 111 I CB 1.938 39.922 38.000 -0.027 0.000 1.288 111 I HN 0.259 nan 8.210 nan 0.000 0.444 112 V N 7.512 127.413 119.914 -0.022 0.000 2.350 112 V HA 0.371 4.491 4.120 -0.000 0.000 0.276 112 V C 0.214 176.311 176.094 0.005 0.000 1.028 112 V CA -0.440 61.866 62.300 0.010 0.000 0.860 112 V CB 1.318 33.148 31.823 0.012 0.000 0.990 112 V HN 0.477 nan 8.190 nan 0.000 0.453 113 I N 4.900 125.483 120.570 0.021 0.000 2.287 113 I HA 0.669 4.839 4.170 -0.000 0.000 0.290 113 I C 0.792 176.934 176.117 0.041 0.000 1.069 113 I CA 0.067 61.383 61.300 0.026 0.000 1.237 113 I CB 0.813 38.828 38.000 0.026 0.000 1.418 113 I HN 0.864 nan 8.210 nan 0.000 0.481 114 G N 3.622 112.451 108.800 0.048 0.000 3.393 114 G HA2 0.047 4.007 3.960 -0.000 0.000 0.676 114 G HA3 0.047 4.007 3.960 -0.000 0.000 0.676 114 G C -0.137 174.786 174.900 0.039 0.000 1.224 114 G CA -0.632 44.501 45.100 0.055 0.000 1.109 114 G HN 0.906 nan 8.290 nan 0.000 0.519 115 G N 0.766 109.594 108.800 0.048 0.000 3.939 115 G HA2 0.676 4.636 3.960 -0.000 0.000 0.268 115 G HA3 0.676 4.636 3.960 -0.000 0.000 0.268 115 G C 0.772 175.633 174.900 -0.065 0.000 1.172 115 G CA 0.809 45.908 45.100 -0.002 0.000 1.614 115 G HN 1.192 nan 8.290 nan 0.000 0.639 116 G N -0.038 108.727 108.800 -0.057 0.000 2.857 116 G HA2 0.405 4.365 3.960 -0.000 0.000 0.217 116 G HA3 0.405 4.365 3.960 -0.000 0.000 0.217 116 G C 1.172 175.993 174.900 -0.132 0.000 1.357 116 G CA 0.260 45.312 45.100 -0.079 0.000 1.033 116 G HN 0.183 nan 8.290 nan 0.000 0.571 117 S N -0.288 115.361 115.700 -0.084 0.000 2.359 117 S HA -0.143 4.327 4.470 -0.000 0.000 0.222 117 S C 2.455 177.027 174.600 -0.046 0.000 1.038 117 S CA 2.013 60.172 58.200 -0.068 0.000 1.051 117 S CB -0.789 62.401 63.200 -0.016 0.000 0.944 117 S HN 0.775 nan 8.310 nan 0.000 0.433 118 G N 0.786 109.578 108.800 -0.013 0.000 2.404 118 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.215 118 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.215 118 G C 1.475 176.376 174.900 0.002 0.000 1.174 118 G CA 0.913 46.018 45.100 0.009 0.000 0.780 118 G HN 0.574 nan 8.290 nan 0.000 0.537 119 G N 0.823 109.618 108.800 -0.008 0.000 2.440 119 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.218 119 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.218 119 G C 1.807 176.687 174.900 -0.034 0.000 1.154 119 G CA 0.778 45.873 45.100 -0.008 0.000 0.767 119 G HN 0.418 nan 8.290 nan 0.000 0.552 120 L N 0.444 121.613 121.223 -0.090 0.000 2.109 120 L HA 0.068 4.408 4.340 -0.000 0.000 0.207 120 L C 3.360 180.196 176.870 -0.056 0.000 1.086 120 L CA 0.762 55.529 54.840 -0.122 0.000 0.760 120 L CB -0.322 41.559 42.059 -0.297 0.000 0.910 120 L HN 0.295 nan 8.230 nan 0.000 0.437 121 A N 0.214 123.015 122.820 -0.032 0.000 1.898 121 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 121 A C 2.535 180.139 177.584 0.033 0.000 1.181 121 A CA 1.686 53.730 52.037 0.011 0.000 0.620 121 A CB -0.623 18.390 19.000 0.022 0.000 0.819 121 A HN 0.375 nan 8.150 nan 0.000 0.442 122 A N -0.440 122.402 122.820 0.036 0.000 1.873 122 A HA 0.158 4.478 4.320 -0.000 0.000 0.215 122 A C 2.440 180.058 177.584 0.056 0.000 1.186 122 A CA 1.915 53.991 52.037 0.064 0.000 0.616 122 A CB -1.456 17.582 19.000 0.063 0.000 0.823 122 A HN 0.708 nan 8.150 nan 0.000 0.442 123 G N -0.300 108.512 108.800 0.021 0.000 2.459 123 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.217 123 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.217 123 G C 1.694 176.579 174.900 -0.024 0.000 1.183 123 G CA 1.129 46.226 45.100 -0.004 0.000 0.776 123 G HN 0.545 nan 8.290 nan 0.000 0.552 124 K N 0.018 120.403 120.400 -0.024 0.000 2.057 124 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 124 K C 2.417 178.975 176.600 -0.068 0.000 1.049 124 K CA 1.345 57.606 56.287 -0.044 0.000 0.931 124 K CB -0.083 32.401 32.500 -0.026 0.000 0.714 124 K HN 0.282 nan 8.250 nan 0.000 0.440 125 E N 0.965 121.150 120.200 -0.025 0.000 2.072 125 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 125 E C 1.744 178.331 176.600 -0.022 0.000 0.985 125 E CA 1.329 57.717 56.400 -0.020 0.000 0.801 125 E CB -0.106 29.655 29.700 0.101 0.000 0.750 125 E HN 0.281 nan 8.360 nan 0.000 0.452 126 A N 0.701 123.554 122.820 0.056 0.000 1.933 126 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 126 A C 2.407 179.897 177.584 -0.157 0.000 1.175 126 A CA 1.947 54.008 52.037 0.040 0.000 0.628 126 A CB -0.943 18.037 19.000 -0.033 0.000 0.814 126 A HN 0.373 nan 8.150 nan 0.000 0.444 127 A N -0.329 122.393 122.820 -0.164 0.000 1.969 127 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 127 A C 2.054 179.507 177.584 -0.218 0.000 1.169 127 A CA 1.684 53.619 52.037 -0.169 0.000 0.635 127 A CB -0.410 18.519 19.000 -0.119 0.000 0.810 127 A HN 0.542 nan 8.150 nan 0.000 0.445 128 K N -1.239 118.948 120.400 -0.356 0.000 2.074 128 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 128 K C 0.612 176.899 176.600 -0.522 0.000 1.048 128 K CA 1.823 57.788 56.287 -0.537 0.000 0.926 128 K CB -0.328 31.645 32.500 -0.878 0.000 0.713 128 K HN 0.712 nan 8.250 nan 0.000 0.444 129 Y N -0.272 119.987 120.300 -0.068 0.000 2.583 129 Y HA 0.254 4.804 4.550 -0.000 0.000 0.294 129 Y C 1.148 177.018 175.900 -0.050 0.000 1.170 129 Y CA -0.051 58.017 58.100 -0.054 0.000 1.265 129 Y CB 0.202 38.666 38.460 0.008 0.000 1.119 129 Y HN 0.201 nan 8.280 nan 0.000 0.522 130 G N 0.072 108.862 108.800 -0.016 0.000 2.143 130 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.248 130 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.248 130 G C 0.317 175.174 174.900 -0.072 0.000 0.991 130 G CA -0.060 45.030 45.100 -0.017 0.000 0.689 130 G HN 0.716 nan 8.290 nan 0.000 0.522 131 A N 0.217 122.913 122.820 -0.207 0.000 2.409 131 A HA 0.591 4.911 4.320 -0.000 0.000 0.267 131 A C 0.724 178.183 177.584 -0.208 0.000 1.127 131 A CA 0.027 51.839 52.037 -0.375 0.000 0.795 131 A CB 0.351 18.682 19.000 -1.115 0.000 1.061 131 A HN 0.370 nan 8.150 nan 0.000 0.502 132 K N 2.247 122.597 120.400 -0.084 0.000 2.402 132 K HA 0.208 4.528 4.320 -0.000 0.000 0.285 132 K C -0.515 176.165 176.600 0.133 0.000 1.054 132 K CA 0.583 56.898 56.287 0.048 0.000 1.001 132 K CB 0.234 32.775 32.500 0.067 0.000 0.946 132 K HN 0.727 nan 8.250 nan 0.000 0.473 133 T N 1.583 116.200 114.554 0.104 0.000 2.824 133 T HA 0.497 4.847 4.350 -0.000 0.000 0.282 133 T C -0.857 173.777 174.700 -0.110 0.000 0.993 133 T CA -0.782 61.316 62.100 -0.004 0.000 0.967 133 T CB 1.751 70.579 68.868 -0.068 0.000 0.960 133 T HN 0.559 nan 8.240 nan 0.000 0.441 134 A N 2.569 125.171 122.820 -0.363 0.000 2.331 134 A HA 0.781 5.101 4.320 -0.000 0.000 0.320 134 A C -0.659 176.791 177.584 -0.224 0.000 1.138 134 A CA -0.654 51.086 52.037 -0.495 0.000 0.790 134 A CB 1.000 19.323 19.000 -1.127 0.000 1.206 134 A HN 0.676 nan 8.150 nan 0.000 0.470 135 V N 3.989 123.843 119.914 -0.099 0.000 2.409 135 V HA 0.373 4.493 4.120 -0.000 0.000 0.291 135 V C -0.380 175.736 176.094 0.037 0.000 1.020 135 V CA -0.235 62.063 62.300 -0.003 0.000 0.848 135 V CB 1.179 33.032 31.823 0.052 0.000 0.990 135 V HN 0.759 nan 8.190 nan 0.000 0.430 136 L N 4.369 125.600 121.223 0.014 0.000 2.295 136 L HA 0.704 5.044 4.340 -0.000 0.000 0.285 136 L C -0.713 176.212 176.870 0.091 0.000 1.035 136 L CA -0.297 54.552 54.840 0.016 0.000 0.806 136 L CB 1.623 43.672 42.059 -0.017 0.000 1.214 136 L HN 0.590 nan 8.230 nan 0.000 0.426 137 D N 1.413 121.897 120.400 0.140 0.000 2.964 137 D HA 0.462 5.102 4.640 -0.000 0.000 0.234 137 D C -1.780 174.644 176.300 0.207 0.000 1.223 137 D CA -0.257 53.855 54.000 0.186 0.000 0.889 137 D CB 1.842 42.793 40.800 0.252 0.000 1.609 137 D HN 0.340 nan 8.370 nan 0.000 0.523 138 Y N 3.278 123.593 120.300 0.025 0.000 2.433 138 Y HA 0.543 5.094 4.550 0.002 0.000 0.337 138 Y C -1.884 173.984 175.900 -0.052 0.000 1.026 138 Y CA -0.845 57.244 58.100 -0.018 0.000 1.037 138 Y CB 1.664 40.105 38.460 -0.033 0.000 1.245 138 Y HN 0.201 nan 8.280 nan 0.000 0.443 139 V N 6.335 125.763 119.914 -0.810 0.000 2.294 139 V HA 0.222 4.342 4.120 -0.000 0.000 0.272 139 V C 0.031 175.384 176.094 -1.234 0.000 1.027 139 V CA -0.819 60.946 62.300 -0.892 0.000 0.823 139 V CB 0.950 32.205 31.823 -0.947 0.000 1.030 139 V HN 0.795 nan 8.190 nan 0.000 0.457 140 E N 6.260 125.850 120.200 -1.016 0.000 2.417 140 E HA 0.133 4.483 4.350 -0.000 0.000 0.261 140 E C -2.250 174.104 176.600 -0.410 0.000 1.000 140 E CA -1.443 54.609 56.400 -0.580 0.000 0.919 140 E CB 0.942 30.560 29.700 -0.137 0.000 0.955 140 E HN 0.419 nan 8.360 nan 0.000 0.455 141 P HA -0.037 nan 4.420 nan 0.000 0.269 141 P C -0.487 176.756 177.300 -0.096 0.000 1.209 141 P CA -0.056 62.925 63.100 -0.198 0.000 0.776 141 P CB 0.514 32.157 31.700 -0.095 0.000 0.876 142 T N 0.487 115.019 114.554 -0.036 0.000 2.813 142 T HA 0.143 4.493 4.350 -0.000 0.000 0.297 142 T C -1.633 173.092 174.700 0.042 0.000 1.036 142 T CA -1.341 60.800 62.100 0.068 0.000 1.044 142 T CB -0.377 68.591 68.868 0.167 0.000 0.993 142 T HN 0.195 nan 8.240 nan 0.000 0.535 143 P HA -0.151 nan 4.420 nan 0.000 0.219 143 P C 1.329 178.634 177.300 0.009 0.000 1.153 143 P CA 1.375 64.457 63.100 -0.030 0.000 0.865 143 P CB -0.278 31.366 31.700 -0.095 0.000 0.788 144 I N -6.776 113.830 120.570 0.060 0.000 3.928 144 I HA 0.473 4.643 4.170 -0.000 0.000 0.335 144 I C 1.084 177.246 176.117 0.076 0.000 1.325 144 I CA 0.495 61.841 61.300 0.077 0.000 1.107 144 I CB -0.249 37.822 38.000 0.119 0.000 1.014 144 I HN 0.095 nan 8.210 nan 0.000 0.400 145 G N 1.258 110.092 108.800 0.056 0.000 2.176 145 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.232 145 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.232 145 G C 0.249 175.171 174.900 0.037 0.000 0.986 145 G CA 0.127 45.247 45.100 0.034 0.000 0.643 145 G HN 0.418 nan 8.290 nan 0.000 0.522 146 T N 1.648 116.251 114.554 0.081 0.000 2.831 146 T HA 0.464 4.814 4.350 -0.000 0.000 0.291 146 T C 0.397 175.097 174.700 -0.001 0.000 0.981 146 T CA 1.468 63.647 62.100 0.131 0.000 1.174 146 T CB 1.461 70.486 68.868 0.263 0.000 0.929 146 T HN 0.503 nan 8.240 nan 0.000 0.532 147 T N 2.635 117.177 114.554 -0.019 0.000 2.887 147 T HA 0.757 5.107 4.350 -0.000 0.000 0.292 147 T C -1.691 173.017 174.700 0.013 0.000 1.087 147 T CA -0.908 61.009 62.100 -0.305 0.000 1.009 147 T CB 0.914 69.617 68.868 -0.276 0.000 1.203 147 T HN 0.773 nan 8.240 nan 0.000 0.518 148 W N 0.000 121.307 121.300 0.012 0.000 2.961 148 W HA 0.804 5.464 4.660 0.001 0.000 0.368 148 W C -0.034 176.504 176.519 0.033 0.000 1.213 148 W CA -1.035 56.327 57.345 0.028 0.000 1.173 148 W CB 0.099 29.578 29.460 0.033 0.000 1.487 148 W HN 0.885 nan 8.180 nan 0.000 0.585 149 G N 0.337 109.347 108.800 0.349 0.000 2.510 149 G HA2 0.451 4.411 3.960 -0.000 0.000 0.280 149 G HA3 0.451 4.411 3.960 -0.000 0.000 0.280 149 G C -1.149 173.904 174.900 0.255 0.000 1.386 149 G CA -0.998 44.244 45.100 0.235 0.000 1.047 149 G HN 0.783 nan 8.290 nan 0.000 0.527 150 L N -0.141 121.181 121.223 0.165 0.000 2.456 150 L HA 0.500 4.840 4.340 -0.000 0.000 0.272 150 L C 1.252 178.183 176.870 0.102 0.000 1.189 150 L CA 1.908 56.799 54.840 0.084 0.000 0.846 150 L CB 1.093 43.081 42.059 -0.118 0.000 1.111 150 L HN 1.101 nan 8.230 nan 0.000 0.475 151 G N 1.475 110.266 108.800 -0.015 0.000 2.738 151 G HA2 0.324 4.284 3.960 -0.000 0.000 0.195 151 G HA3 0.324 4.284 3.960 -0.000 0.000 0.195 151 G C 0.678 175.533 174.900 -0.074 0.000 1.001 151 G CA 0.044 45.073 45.100 -0.119 0.000 0.759 151 G HN 1.750 nan 8.290 nan 0.000 0.494 152 G N -0.810 108.020 108.800 0.050 0.000 2.632 152 G HA2 0.048 4.008 3.960 -0.000 0.000 0.224 152 G HA3 0.048 4.008 3.960 -0.000 0.000 0.224 152 G C 0.838 175.775 174.900 0.061 0.000 1.341 152 G CA 0.676 45.829 45.100 0.088 0.000 0.880 152 G HN 1.086 nan 8.290 nan 0.000 0.566 153 T N 0.751 115.332 114.554 0.044 0.000 2.701 153 T HA -0.204 4.146 4.350 -0.000 0.000 0.263 153 T C 2.813 177.441 174.700 -0.119 0.000 1.040 153 T CA 3.901 65.974 62.100 -0.046 0.000 1.147 153 T CB -1.132 67.754 68.868 0.029 0.000 0.865 153 T HN 1.618 nan 8.240 nan 0.000 0.426 154 C N 1.604 120.871 119.300 -0.056 0.000 2.336 154 C HA -0.120 4.340 4.460 -0.000 0.000 0.275 154 C C 2.576 177.497 174.990 -0.114 0.000 1.175 154 C CA 0.790 59.771 59.018 -0.062 0.000 1.771 154 C CB -1.673 26.057 27.740 -0.016 0.000 2.030 154 C HN 0.314 nan 8.230 nan 0.000 0.442 155 V N 2.471 122.337 119.914 -0.080 0.000 2.358 155 V HA -0.160 3.960 4.120 -0.000 0.000 0.246 155 V C 2.681 178.665 176.094 -0.185 0.000 1.047 155 V CA 2.508 64.761 62.300 -0.078 0.000 1.035 155 V CB -0.719 31.139 31.823 0.059 0.000 0.658 155 V HN 0.622 nan 8.190 nan 0.000 0.452 156 N N 0.167 118.705 118.700 -0.270 0.000 2.368 156 N HA -0.006 4.734 4.740 -0.000 0.000 0.178 156 N C 1.140 176.315 175.510 -0.558 0.000 1.021 156 N CA 1.755 54.547 53.050 -0.431 0.000 0.875 156 N CB 0.720 38.789 38.487 -0.698 0.000 1.020 156 N HN 0.534 nan 8.380 nan 0.000 0.433 157 V N -3.160 116.400 119.914 -0.590 0.000 3.070 157 V HA 0.639 4.759 4.120 -0.000 0.000 0.355 157 V C 0.460 176.389 176.094 -0.275 0.000 1.400 157 V CA -0.321 61.729 62.300 -0.417 0.000 1.170 157 V CB 0.534 32.013 31.823 -0.573 0.000 1.169 157 V HN 0.146 nan 8.190 nan 0.000 0.554 158 G N -0.157 108.410 108.800 -0.389 0.000 3.366 158 G HA2 0.239 4.199 3.960 -0.000 0.000 0.179 158 G HA3 0.239 4.199 3.960 -0.000 0.000 0.179 158 G C 0.900 175.639 174.900 -0.268 0.000 1.143 158 G CA 0.611 45.585 45.100 -0.210 0.000 0.810 158 G HN 0.230 nan 8.290 nan 0.000 0.697 159 C N 0.901 120.129 119.300 -0.121 0.000 2.398 159 C HA -0.043 4.416 4.460 -0.000 0.000 0.276 159 C C 2.767 177.634 174.990 -0.205 0.000 1.222 159 C CA 0.419 59.377 59.018 -0.099 0.000 1.746 159 C CB -1.251 26.471 27.740 -0.030 0.000 2.039 159 C HN 0.405 nan 8.230 nan 0.000 0.470 160 I N 2.301 122.743 120.570 -0.214 0.000 2.110 160 I HA -0.085 4.085 4.170 -0.000 0.000 0.236 160 I C 0.118 176.066 176.117 -0.282 0.000 1.068 160 I CA 1.720 62.903 61.300 -0.195 0.000 1.333 160 I CB -2.773 35.154 38.000 -0.121 0.000 1.054 160 I HN 0.203 nan 8.210 nan 0.000 0.402 161 P HA -0.184 nan 4.420 nan 0.000 0.218 161 P C 1.619 178.574 177.300 -0.575 0.000 1.149 161 P CA 1.471 64.251 63.100 -0.533 0.000 0.817 161 P CB -0.132 31.095 31.700 -0.789 0.000 0.785 162 K N 1.217 121.221 120.400 -0.660 0.000 2.026 162 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 162 K C 2.105 178.611 176.600 -0.156 0.000 1.048 162 K CA 1.539 57.693 56.287 -0.222 0.000 0.929 162 K CB -0.470 32.006 32.500 -0.039 0.000 0.713 162 K HN 0.009 nan 8.250 nan 0.000 0.439 163 K N 0.608 120.867 120.400 -0.234 0.000 2.155 163 K HA -0.013 4.307 4.320 -0.000 0.000 0.203 163 K C 2.330 178.837 176.600 -0.154 0.000 1.052 163 K CA 0.502 56.642 56.287 -0.245 0.000 0.948 163 K CB 0.034 32.259 32.500 -0.459 0.000 0.728 163 K HN 0.139 nan 8.250 nan 0.000 0.448 164 L N 0.309 121.410 121.223 -0.202 0.000 2.056 164 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 164 L C 2.484 179.227 176.870 -0.212 0.000 1.078 164 L CA 1.142 55.870 54.840 -0.187 0.000 0.749 164 L CB -0.215 41.735 42.059 -0.182 0.000 0.901 164 L HN 0.225 nan 8.230 nan 0.000 0.433 165 M N -1.512 117.891 119.600 -0.327 0.000 2.319 165 M HA -0.175 4.305 4.480 -0.000 0.000 0.265 165 M C 2.245 178.291 176.300 -0.424 0.000 1.068 165 M CA 1.204 56.188 55.300 -0.527 0.000 1.118 165 M CB -0.493 31.474 32.600 -1.055 0.000 1.395 165 M HN 0.284 nan 8.290 nan 0.000 0.435 166 H N 0.362 119.246 119.070 -0.309 0.000 2.389 166 H HA -0.179 4.377 4.556 -0.000 0.000 0.299 166 H C 2.059 177.393 175.328 0.010 0.000 1.081 166 H CA 2.094 58.143 56.048 0.003 0.000 1.345 166 H CB 0.044 29.853 29.762 0.078 0.000 1.393 166 H HN 0.276 nan 8.280 nan 0.000 0.520 167 Q N 0.613 120.311 119.800 -0.171 0.000 2.079 167 Q HA -0.034 4.306 4.340 -0.000 0.000 0.200 167 Q C 2.394 178.315 176.000 -0.132 0.000 0.974 167 Q CA 1.913 57.607 55.803 -0.182 0.000 0.840 167 Q CB -0.745 27.924 28.738 -0.113 0.000 0.898 167 Q HN 0.542 nan 8.270 nan 0.000 0.430 168 A N -0.113 122.642 122.820 -0.108 0.000 1.940 168 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 168 A C 2.275 179.825 177.584 -0.056 0.000 1.176 168 A CA 1.679 53.680 52.037 -0.060 0.000 0.631 168 A CB -1.364 17.610 19.000 -0.045 0.000 0.814 168 A HN 0.572 nan 8.150 nan 0.000 0.446 169 G N -0.440 108.338 108.800 -0.037 0.000 2.403 169 G HA2 -0.086 3.873 3.960 -0.000 0.000 0.216 169 G HA3 -0.086 3.873 3.960 -0.000 0.000 0.216 169 G C 1.520 176.461 174.900 0.070 0.000 1.154 169 G CA 0.873 46.004 45.100 0.052 0.000 0.784 169 G HN 0.432 nan 8.290 nan 0.000 0.538 170 L N -0.050 121.140 121.223 -0.055 0.000 2.141 170 L HA 0.051 4.391 4.340 -0.000 0.000 0.209 170 L C 2.767 179.674 176.870 0.061 0.000 1.094 170 L CA 0.379 55.202 54.840 -0.028 0.000 0.763 170 L CB -0.292 41.666 42.059 -0.168 0.000 0.908 170 L HN 0.180 nan 8.230 nan 0.000 0.437 171 L N -1.054 120.178 121.223 0.015 0.000 2.265 171 L HA -0.192 4.148 4.340 -0.000 0.000 0.215 171 L C 2.796 179.688 176.870 0.037 0.000 1.117 171 L CA 0.828 55.678 54.840 0.017 0.000 0.782 171 L CB -0.470 41.584 42.059 -0.008 0.000 0.914 171 L HN 0.246 nan 8.230 nan 0.000 0.441 172 S N -0.697 115.033 115.700 0.050 0.000 2.365 172 S HA -0.250 4.219 4.470 -0.000 0.000 0.225 172 S C 2.027 176.610 174.600 -0.028 0.000 1.039 172 S CA 1.358 59.562 58.200 0.005 0.000 1.033 172 S CB -0.286 62.903 63.200 -0.018 0.000 0.887 172 S HN 0.504 nan 8.310 nan 0.000 0.447 173 H N 0.426 119.498 119.070 0.002 0.000 2.389 173 H HA 0.067 4.623 4.556 -0.000 0.000 0.299 173 H C 2.529 177.869 175.328 0.020 0.000 1.081 173 H CA 1.191 57.240 56.048 0.002 0.000 1.345 173 H CB -0.482 29.267 29.762 -0.022 0.000 1.393 173 H HN 0.574 nan 8.280 nan 0.000 0.520 174 A N 1.336 124.235 122.820 0.132 0.000 1.933 174 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 174 A C 2.595 180.202 177.584 0.039 0.000 1.175 174 A CA 0.897 52.975 52.037 0.067 0.000 0.628 174 A CB -0.815 18.194 19.000 0.014 0.000 0.814 174 A HN 0.242 nan 8.150 nan 0.000 0.444 175 L N -0.767 120.469 121.223 0.020 0.000 2.083 175 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 175 L C 2.576 179.466 176.870 0.034 0.000 1.083 175 L CA 1.579 56.422 54.840 0.005 0.000 0.752 175 L CB -0.528 41.528 42.059 -0.006 0.000 0.899 175 L HN 0.469 nan 8.230 nan 0.000 0.433 176 E N -0.049 120.179 120.200 0.047 0.000 2.072 176 E HA -0.191 4.159 4.350 -0.000 0.000 0.190 176 E C 1.728 178.436 176.600 0.180 0.000 0.982 176 E CA 1.207 57.651 56.400 0.074 0.000 0.803 176 E CB -0.016 29.717 29.700 0.054 0.000 0.755 176 E HN 0.460 nan 8.360 nan 0.000 0.453 177 D N 0.803 121.348 120.400 0.241 0.000 2.117 177 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 177 D C 1.879 178.472 176.300 0.488 0.000 0.987 177 D CA 1.232 55.479 54.000 0.412 0.000 0.829 177 D CB -0.392 40.617 40.800 0.349 0.000 0.961 177 D HN 0.144 nan 8.370 nan 0.000 0.460 178 A N 0.865 123.869 122.820 0.307 0.000 1.997 178 A HA -0.302 4.018 4.320 -0.000 0.000 0.221 178 A C 2.089 179.921 177.584 0.414 0.000 1.172 178 A CA 2.077 54.316 52.037 0.337 0.000 0.645 178 A CB -0.699 18.345 19.000 0.074 0.000 0.813 178 A HN 0.348 nan 8.150 nan 0.000 0.454 179 E N -1.316 119.007 120.200 0.205 0.000 2.106 179 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 179 E C 1.775 178.405 176.600 0.050 0.000 0.984 179 E CA 0.982 57.427 56.400 0.074 0.000 0.806 179 E CB -0.179 29.446 29.700 -0.125 0.000 0.750 179 E HN 0.790 nan 8.360 nan 0.000 0.458 180 H N -1.231 117.953 119.070 0.191 0.000 2.462 180 H HA -0.057 4.499 4.556 -0.000 0.000 0.292 180 H C 1.228 176.545 175.328 -0.018 0.000 1.049 180 H CA 0.832 56.924 56.048 0.074 0.000 1.334 180 H CB -0.003 29.779 29.762 0.033 0.000 1.404 180 H HN 0.244 nan 8.280 nan 0.000 0.544 181 F N -0.066 120.040 119.950 0.260 0.000 2.797 181 F HA 0.224 4.751 4.527 -0.000 0.000 0.302 181 F C 1.547 177.407 175.800 0.100 0.000 1.130 181 F CA 0.691 58.816 58.000 0.207 0.000 1.387 181 F CB 0.667 39.841 39.000 0.289 0.000 1.107 181 F HN 0.251 nan 8.300 nan 0.000 0.577 182 G N -1.342 107.575 108.800 0.194 0.000 2.154 182 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.186 182 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.186 182 G C -0.344 174.486 174.900 -0.116 0.000 1.000 182 G CA -0.839 44.251 45.100 -0.017 0.000 0.664 182 G HN 0.199 nan 8.290 nan 0.000 0.513 183 W N 1.947 123.297 121.300 0.083 0.000 2.365 183 W HA 0.577 5.237 4.660 0.000 0.000 0.316 183 W C 1.049 177.583 176.519 0.025 0.000 1.164 183 W CA -0.082 57.295 57.345 0.053 0.000 1.204 183 W CB 1.445 30.940 29.460 0.058 0.000 1.213 183 W HN 0.431 nan 8.180 nan 0.000 0.539 184 S N 5.237 121.085 115.700 0.246 0.000 2.405 184 S HA 0.673 5.143 4.470 -0.000 0.000 0.291 184 S C -0.724 173.952 174.600 0.127 0.000 1.137 184 S CA -0.575 57.705 58.200 0.134 0.000 1.061 184 S CB -0.375 62.879 63.200 0.090 0.000 1.001 184 S HN 0.607 nan 8.310 nan 0.000 0.507 185 L N -0.505 120.769 121.223 0.085 0.000 2.845 185 L HA 0.665 5.005 4.340 -0.000 0.000 0.256 185 L C -0.613 176.273 176.870 0.026 0.000 0.968 185 L CA -0.736 54.137 54.840 0.055 0.000 0.944 185 L CB 1.090 43.185 42.059 0.061 0.000 1.494 185 L HN 0.507 nan 8.230 nan 0.000 0.419 186 D N -0.284 120.123 120.400 0.012 0.000 2.703 186 D HA -0.150 4.490 4.640 -0.000 0.000 0.185 186 D C 1.042 177.345 176.300 0.005 0.000 0.893 186 D CA 1.336 55.343 54.000 0.013 0.000 0.978 186 D CB -0.255 40.559 40.800 0.023 0.000 1.029 186 D HN 0.852 nan 8.370 nan 0.000 0.468 187 R N 0.728 121.228 120.500 -0.000 0.000 2.161 187 R HA 0.165 4.505 4.340 -0.000 0.000 0.213 187 R C 1.941 178.237 176.300 -0.006 0.000 1.055 187 R CA 2.317 58.414 56.100 -0.004 0.000 0.996 187 R CB -0.419 29.876 30.300 -0.008 0.000 0.901 187 R HN 0.195 nan 8.270 nan 0.000 0.456 188 S N -0.509 115.187 115.700 -0.007 0.000 2.489 188 S HA 0.074 4.544 4.470 -0.000 0.000 0.228 188 S C 1.216 175.813 174.600 -0.004 0.000 0.995 188 S CA 0.321 58.517 58.200 -0.007 0.000 0.934 188 S CB 0.008 63.204 63.200 -0.008 0.000 0.771 188 S HN 0.172 nan 8.310 nan 0.000 0.522 189 K N 0.963 121.361 120.400 -0.003 0.000 2.446 189 K HA 0.413 4.733 4.320 -0.000 0.000 0.203 189 K C -0.424 176.175 176.600 -0.002 0.000 1.027 189 K CA 0.007 56.293 56.287 -0.002 0.000 1.166 189 K CB 0.119 32.619 32.500 -0.000 0.000 0.869 189 K HN 0.501 nan 8.250 nan 0.000 0.504 190 I N 1.143 121.713 120.570 -0.001 0.000 2.474 190 I HA 0.118 4.288 4.170 -0.000 0.000 0.294 190 I C 0.252 176.374 176.117 0.007 0.000 1.005 190 I CA -0.637 60.663 61.300 0.002 0.000 1.113 190 I CB 1.992 39.994 38.000 0.003 0.000 1.289 190 I HN -0.059 nan 8.210 nan 0.000 0.436 191 S N 3.433 119.137 115.700 0.007 0.000 2.671 191 S HA 0.584 5.054 4.470 -0.000 0.000 0.299 191 S C -1.007 173.619 174.600 0.042 0.000 1.116 191 S CA -0.772 57.438 58.200 0.016 0.000 0.912 191 S CB 2.040 65.235 63.200 -0.008 0.000 1.130 191 S HN 0.679 nan 8.310 nan 0.000 0.501 192 H N 0.803 119.841 119.070 -0.053 0.000 2.492 192 H HA 0.544 5.099 4.556 -0.000 0.000 0.345 192 H C -0.790 174.507 175.328 -0.051 0.000 1.136 192 H CA -0.514 55.510 56.048 -0.039 0.000 1.202 192 H CB 1.209 30.962 29.762 -0.016 0.000 1.524 192 H HN 0.645 nan 8.280 nan 0.000 0.506 193 N N 5.318 123.664 118.700 -0.590 0.000 2.511 193 N HA -0.044 4.695 4.740 -0.000 0.000 0.249 193 N C 0.647 176.000 175.510 -0.262 0.000 0.971 193 N CA -0.418 52.450 53.050 -0.302 0.000 0.938 193 N CB 0.457 38.825 38.487 -0.198 0.000 1.131 193 N HN 0.805 nan 8.380 nan 0.000 0.505 194 W N 3.907 125.149 121.300 -0.095 0.000 2.338 194 W HA -0.178 4.482 4.660 -0.000 0.000 0.304 194 W C 0.782 177.350 176.519 0.081 0.000 1.212 194 W CA 1.162 58.591 57.345 0.141 0.000 1.264 194 W CB 0.017 29.677 29.460 0.333 0.000 1.142 194 W HN 0.453 nan 8.180 nan 0.000 0.512 195 S N 0.206 115.989 115.700 0.138 0.000 2.387 195 S HA -0.153 4.317 4.470 -0.000 0.000 0.226 195 S C 1.647 176.205 174.600 -0.070 0.000 1.026 195 S CA 1.925 60.147 58.200 0.036 0.000 0.972 195 S CB -0.623 62.644 63.200 0.112 0.000 0.814 195 S HN 0.235 nan 8.310 nan 0.000 0.477 196 T N 2.499 116.998 114.554 -0.092 0.000 2.708 196 T HA -0.074 4.276 4.350 -0.000 0.000 0.266 196 T C 1.789 176.404 174.700 -0.141 0.000 1.037 196 T CA 1.291 63.323 62.100 -0.113 0.000 1.146 196 T CB -0.288 68.500 68.868 -0.134 0.000 0.865 196 T HN 0.321 nan 8.240 nan 0.000 0.435 197 M N 0.848 120.335 119.600 -0.188 0.000 2.077 197 M HA -0.103 4.377 4.480 -0.000 0.000 0.261 197 M C 2.291 178.447 176.300 -0.240 0.000 1.070 197 M CA 1.567 56.760 55.300 -0.178 0.000 1.125 197 M CB -0.411 32.130 32.600 -0.097 0.000 1.339 197 M HN 0.086 nan 8.290 nan 0.000 0.409 198 V N 1.181 120.872 119.914 -0.371 0.000 2.282 198 V HA -0.290 3.830 4.120 -0.000 0.000 0.249 198 V C 2.403 178.398 176.094 -0.165 0.000 1.057 198 V CA 2.030 64.123 62.300 -0.346 0.000 1.032 198 V CB -0.869 30.695 31.823 -0.431 0.000 0.645 198 V HN 0.496 nan 8.190 nan 0.000 0.447 199 E N 0.280 120.408 120.200 -0.120 0.000 2.153 199 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 199 E C 2.300 178.863 176.600 -0.061 0.000 0.988 199 E CA 1.372 57.733 56.400 -0.065 0.000 0.811 199 E CB -0.722 28.951 29.700 -0.045 0.000 0.746 199 E HN 0.638 nan 8.360 nan 0.000 0.466 200 G N 0.843 109.596 108.800 -0.079 0.000 2.404 200 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.215 200 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.215 200 G C 1.853 176.722 174.900 -0.051 0.000 1.174 200 G CA 0.884 45.945 45.100 -0.066 0.000 0.780 200 G HN 0.195 nan 8.290 nan 0.000 0.537 201 V N 0.541 120.408 119.914 -0.079 0.000 2.343 201 V HA -0.175 3.945 4.120 -0.000 0.000 0.247 201 V C 2.955 179.031 176.094 -0.031 0.000 1.051 201 V CA 1.813 64.074 62.300 -0.065 0.000 1.036 201 V CB -0.353 31.395 31.823 -0.125 0.000 0.654 201 V HN 0.300 nan 8.190 nan 0.000 0.451 202 Q N -0.688 119.087 119.800 -0.041 0.000 2.224 202 Q HA -0.109 4.231 4.340 -0.000 0.000 0.203 202 Q C 2.522 178.516 176.000 -0.010 0.000 0.970 202 Q CA 1.583 57.374 55.803 -0.020 0.000 0.865 202 Q CB -0.450 28.284 28.738 -0.007 0.000 0.922 202 Q HN 0.625 nan 8.270 nan 0.000 0.445 203 S N -0.277 115.420 115.700 -0.006 0.000 2.387 203 S HA -0.152 4.318 4.470 -0.000 0.000 0.226 203 S C 1.848 176.462 174.600 0.024 0.000 1.026 203 S CA 0.821 59.020 58.200 -0.001 0.000 0.972 203 S CB -0.175 63.021 63.200 -0.008 0.000 0.814 203 S HN 0.526 nan 8.310 nan 0.000 0.477 204 H N 0.289 119.323 119.070 -0.060 0.000 2.395 204 H HA 0.060 4.616 4.556 0.000 0.000 0.299 204 H C 2.049 177.344 175.328 -0.055 0.000 1.070 204 H CA 1.504 57.514 56.048 -0.063 0.000 1.356 204 H CB -0.120 29.594 29.762 -0.080 0.000 1.401 204 H HN 0.432 nan 8.280 nan 0.000 0.524 205 I N 0.408 120.887 120.570 -0.151 0.000 2.286 205 I HA -0.179 3.990 4.170 -0.000 0.000 0.248 205 I C 2.887 178.943 176.117 -0.103 0.000 1.115 205 I CA 1.068 62.266 61.300 -0.170 0.000 1.392 205 I CB -0.448 37.495 38.000 -0.094 0.000 1.065 205 I HN 0.303 nan 8.210 nan 0.000 0.418 206 G N 0.536 109.307 108.800 -0.049 0.000 2.440 206 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.218 206 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.218 206 G C 1.804 176.706 174.900 0.004 0.000 1.154 206 G CA 1.140 46.237 45.100 -0.004 0.000 0.767 206 G HN 0.514 nan 8.290 nan 0.000 0.552 207 S N 0.362 116.035 115.700 -0.045 0.000 2.406 207 S HA 0.069 4.539 4.470 -0.000 0.000 0.228 207 S C 2.330 176.899 174.600 -0.052 0.000 1.020 207 S CA 0.920 59.115 58.200 -0.008 0.000 0.965 207 S CB -0.301 62.890 63.200 -0.016 0.000 0.798 207 S HN 0.293 nan 8.310 nan 0.000 0.488 208 L N 1.606 122.709 121.223 -0.199 0.000 2.072 208 L HA -0.038 4.302 4.340 -0.000 0.000 0.205 208 L C 2.628 179.411 176.870 -0.144 0.000 1.079 208 L CA 0.976 55.640 54.840 -0.294 0.000 0.752 208 L CB -0.827 41.028 42.059 -0.340 0.000 0.906 208 L HN 0.277 nan 8.230 nan 0.000 0.436 209 N N -0.370 118.343 118.700 0.022 0.000 2.061 209 N HA -0.265 4.475 4.740 -0.000 0.000 0.193 209 N C 1.566 177.157 175.510 0.136 0.000 1.030 209 N CA 1.678 54.806 53.050 0.129 0.000 0.856 209 N CB -0.460 38.109 38.487 0.137 0.000 1.023 209 N HN 0.416 nan 8.380 nan 0.000 0.424 210 W N 1.805 123.069 121.300 -0.059 0.000 2.418 210 W HA 0.127 4.787 4.660 -0.000 0.000 0.292 210 W C 2.376 178.840 176.519 -0.092 0.000 1.213 210 W CA 1.379 58.690 57.345 -0.057 0.000 1.283 210 W CB -0.733 28.698 29.460 -0.048 0.000 1.119 210 W HN 0.064 nan 8.180 nan 0.000 0.542 211 G N -0.614 108.147 108.800 -0.065 0.000 2.440 211 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.218 211 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.218 211 G C 1.203 175.910 174.900 -0.322 0.000 1.154 211 G CA 1.321 46.265 45.100 -0.259 0.000 0.767 211 G HN 0.297 nan 8.290 nan 0.000 0.552 212 Y N 0.887 121.083 120.300 -0.173 0.000 2.263 212 Y HA 0.064 4.613 4.550 -0.000 0.000 0.292 212 Y C 2.818 178.544 175.900 -0.289 0.000 1.130 212 Y CA 1.082 59.060 58.100 -0.203 0.000 1.179 212 Y CB -0.184 38.169 38.460 -0.180 0.000 0.998 212 Y HN 0.149 nan 8.280 nan 0.000 0.532 213 K N -0.553 119.725 120.400 -0.204 0.000 2.097 213 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 213 K C 2.014 178.415 176.600 -0.330 0.000 1.049 213 K CA 1.466 57.564 56.287 -0.314 0.000 0.933 213 K CB -0.382 31.945 32.500 -0.288 0.000 0.717 213 K HN 0.092 nan 8.250 nan 0.000 0.442 214 V N 1.178 120.802 119.914 -0.484 0.000 2.379 214 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 214 V C 2.300 178.239 176.094 -0.259 0.000 1.044 214 V CA 1.927 63.944 62.300 -0.471 0.000 1.036 214 V CB -0.574 30.832 31.823 -0.695 0.000 0.664 214 V HN 0.346 nan 8.190 nan 0.000 0.453 215 A N -0.012 122.687 122.820 -0.202 0.000 1.883 215 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 215 A C 2.211 179.744 177.584 -0.085 0.000 1.186 215 A CA 1.864 53.833 52.037 -0.113 0.000 0.624 215 A CB -0.567 18.402 19.000 -0.053 0.000 0.822 215 A HN 0.499 nan 8.150 nan 0.000 0.444 216 L N -1.250 119.924 121.223 -0.082 0.000 2.093 216 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 216 L C 2.815 179.658 176.870 -0.046 0.000 1.085 216 L CA 1.640 56.446 54.840 -0.056 0.000 0.755 216 L CB -0.509 41.519 42.059 -0.053 0.000 0.904 216 L HN 0.464 nan 8.230 nan 0.000 0.435 217 R N 0.423 120.882 120.500 -0.068 0.000 2.070 217 R HA -0.182 4.158 4.340 -0.000 0.000 0.233 217 R C 1.831 178.098 176.300 -0.054 0.000 1.137 217 R CA 2.053 58.122 56.100 -0.052 0.000 0.945 217 R CB -0.163 30.090 30.300 -0.079 0.000 0.845 217 R HN 0.298 nan 8.270 nan 0.000 0.430 218 D N 0.278 120.632 120.400 -0.077 0.000 2.178 218 D HA -0.111 4.529 4.640 -0.000 0.000 0.201 218 D C 0.917 177.183 176.300 -0.057 0.000 0.980 218 D CA 1.112 55.072 54.000 -0.067 0.000 0.842 218 D CB -0.335 40.416 40.800 -0.081 0.000 0.948 218 D HN 0.271 nan 8.370 nan 0.000 0.472 219 N N 0.324 118.989 118.700 -0.059 0.000 2.383 219 N HA 0.014 4.754 4.740 -0.000 0.000 0.192 219 N C -0.368 175.114 175.510 -0.047 0.000 1.141 219 N CA 0.059 53.072 53.050 -0.061 0.000 0.851 219 N CB 0.263 38.709 38.487 -0.070 0.000 0.976 219 N HN -0.086 nan 8.380 nan 0.000 0.465 220 Q N -1.433 118.349 119.800 -0.031 0.000 2.475 220 Q HA -0.130 4.210 4.340 -0.000 0.000 0.280 220 Q C -1.125 174.878 176.000 0.005 0.000 1.234 220 Q CA 0.437 56.234 55.803 -0.010 0.000 0.873 220 Q CB -2.133 26.599 28.738 -0.010 0.000 1.256 220 Q HN 0.102 nan 8.270 nan 0.000 0.475 221 V N 0.540 120.455 119.914 0.002 0.000 2.407 221 V HA 0.300 4.420 4.120 -0.000 0.000 0.278 221 V C 0.810 176.932 176.094 0.046 0.000 1.037 221 V CA -0.374 61.934 62.300 0.013 0.000 0.900 221 V CB 1.914 33.731 31.823 -0.009 0.000 0.983 221 V HN 0.247 nan 8.190 nan 0.000 0.459 222 T N 5.701 120.290 114.554 0.058 0.000 2.769 222 T HA 0.142 4.492 4.350 -0.000 0.000 0.293 222 T C -0.499 174.238 174.700 0.061 0.000 0.931 222 T CA 0.410 62.550 62.100 0.067 0.000 1.139 222 T CB -0.416 68.513 68.868 0.102 0.000 0.881 222 T HN 0.535 nan 8.240 nan 0.000 0.532 223 Y N 5.221 125.503 120.300 -0.030 0.000 2.341 223 Y HA 0.554 5.105 4.550 0.001 0.000 0.340 223 Y C -1.112 174.778 175.900 -0.016 0.000 0.997 223 Y CA -1.667 56.414 58.100 -0.031 0.000 1.149 223 Y CB 0.422 38.870 38.460 -0.019 0.000 1.171 223 Y HN 0.505 nan 8.280 nan 0.000 0.494 224 L N 6.294 127.199 121.223 -0.531 0.000 2.325 224 L HA 0.333 4.673 4.340 -0.000 0.000 0.281 224 L C -0.315 176.143 176.870 -0.687 0.000 1.004 224 L CA -0.900 53.614 54.840 -0.544 0.000 0.823 224 L CB 1.439 43.354 42.059 -0.240 0.000 1.236 224 L HN 0.603 nan 8.230 nan 0.000 0.415 225 N N 3.267 121.562 118.700 -0.674 0.000 2.739 225 N HA 0.489 5.229 4.740 -0.000 0.000 0.266 225 N C -0.861 174.580 175.510 -0.114 0.000 1.168 225 N CA 0.053 52.919 53.050 -0.306 0.000 1.055 225 N CB 0.353 38.749 38.487 -0.152 0.000 1.393 225 N HN 0.733 nan 8.380 nan 0.000 0.514 226 A N 1.951 124.724 122.820 -0.078 0.000 2.587 226 A HA 0.478 4.798 4.320 -0.000 0.000 0.293 226 A C -0.899 176.648 177.584 -0.062 0.000 1.087 226 A CA -0.954 51.029 52.037 -0.090 0.000 0.692 226 A CB 1.082 20.016 19.000 -0.110 0.000 1.291 226 A HN 0.443 nan 8.150 nan 0.000 0.407 227 K N 1.189 121.469 120.400 -0.199 0.000 2.262 227 K HA 0.497 4.817 4.320 -0.000 0.000 0.282 227 K C 0.324 176.871 176.600 -0.088 0.000 1.066 227 K CA 0.068 56.256 56.287 -0.165 0.000 0.901 227 K CB 0.704 32.955 32.500 -0.416 0.000 1.089 227 K HN 0.897 nan 8.250 nan 0.000 0.476 228 G N 3.335 112.121 108.800 -0.024 0.000 2.425 228 G HA2 0.341 4.301 3.960 -0.000 0.000 0.302 228 G HA3 0.341 4.301 3.960 -0.000 0.000 0.302 228 G C -1.053 173.841 174.900 -0.010 0.000 1.159 228 G CA -0.618 44.471 45.100 -0.018 0.000 0.865 228 G HN 0.651 nan 8.290 nan 0.000 0.515 229 R N 1.830 122.323 120.500 -0.011 0.000 2.512 229 R HA 0.221 4.561 4.340 -0.000 0.000 0.291 229 R C -1.479 174.820 176.300 -0.002 0.000 1.097 229 R CA -0.852 55.244 56.100 -0.006 0.000 0.940 229 R CB 1.445 31.737 30.300 -0.013 0.000 1.198 229 R HN 0.434 nan 8.270 nan 0.000 0.429 230 L N 7.249 128.471 121.223 -0.001 0.000 2.407 230 L HA 0.207 4.546 4.340 -0.000 0.000 0.282 230 L C 0.890 177.757 176.870 -0.005 0.000 1.110 230 L CA 0.474 55.312 54.840 -0.004 0.000 0.863 230 L CB 0.618 42.670 42.059 -0.011 0.000 1.207 230 L HN 0.770 nan 8.230 nan 0.000 0.454 231 I N 0.944 121.515 120.570 0.001 0.000 3.462 231 I HA 0.310 4.480 4.170 -0.000 0.000 0.290 231 I C 0.566 176.685 176.117 0.003 0.000 1.236 231 I CA 0.248 61.550 61.300 0.003 0.000 1.418 231 I CB 0.029 38.035 38.000 0.009 0.000 1.102 231 I HN 0.595 nan 8.210 nan 0.000 0.441 232 S N -0.620 115.082 115.700 0.003 0.000 2.596 232 S HA 0.533 5.003 4.470 -0.000 0.000 0.270 232 S C -2.436 172.139 174.600 -0.041 0.000 1.155 232 S CA -1.005 57.193 58.200 -0.003 0.000 0.827 232 S CB 1.502 64.722 63.200 0.032 0.000 1.130 232 S HN -0.231 nan 8.310 nan 0.000 0.467 233 P HA -0.094 nan 4.420 nan 0.000 0.217 233 P C 0.392 177.454 177.300 -0.397 0.000 1.148 233 P CA 1.720 64.657 63.100 -0.273 0.000 0.834 233 P CB -0.163 31.317 31.700 -0.367 0.000 0.783 234 H N -3.048 116.016 119.070 -0.011 0.000 2.893 234 H HA 0.268 4.824 4.556 -0.001 0.000 0.270 234 H C 0.153 175.484 175.328 0.004 0.000 1.095 234 H CA -0.248 55.765 56.048 -0.058 0.000 1.186 234 H CB 0.408 30.134 29.762 -0.059 0.000 1.562 234 H HN 0.142 nan 8.280 nan 0.000 0.536 235 E N 1.393 121.655 120.200 0.103 0.000 2.158 235 E HA 0.412 4.762 4.350 -0.000 0.000 0.271 235 E C -1.025 175.605 176.600 0.050 0.000 0.911 235 E CA -0.718 55.737 56.400 0.091 0.000 0.767 235 E CB 2.975 32.727 29.700 0.087 0.000 1.120 235 E HN -0.059 nan 8.360 nan 0.000 0.405 236 V N 3.438 123.384 119.914 0.053 0.000 2.444 236 V HA 0.170 4.290 4.120 -0.000 0.000 0.294 236 V C -0.215 175.894 176.094 0.025 0.000 1.022 236 V CA -0.799 61.518 62.300 0.029 0.000 0.850 236 V CB 1.519 33.355 31.823 0.022 0.000 0.992 236 V HN 0.651 nan 8.190 nan 0.000 0.426 237 Q N 5.086 124.891 119.800 0.010 0.000 2.279 237 Q HA 0.598 4.937 4.340 -0.000 0.000 0.256 237 Q C -0.657 175.332 176.000 -0.018 0.000 0.937 237 Q CA -0.401 55.401 55.803 -0.001 0.000 0.933 237 Q CB 1.190 29.925 28.738 -0.006 0.000 1.189 237 Q HN 0.855 nan 8.270 nan 0.000 0.417 238 I N 0.363 120.919 120.570 -0.024 0.000 2.648 238 I HA 0.642 4.812 4.170 -0.000 0.000 0.304 238 I C -0.824 175.252 176.117 -0.068 0.000 1.009 238 I CA -0.792 60.479 61.300 -0.049 0.000 1.114 238 I CB 2.449 40.422 38.000 -0.044 0.000 1.293 238 I HN 0.348 nan 8.210 nan 0.000 0.449 239 T N 2.973 117.462 114.554 -0.108 0.000 2.949 239 T HA 0.322 4.672 4.350 -0.000 0.000 0.300 239 T C -0.729 173.877 174.700 -0.157 0.000 0.988 239 T CA -0.636 61.386 62.100 -0.130 0.000 0.993 239 T CB 1.100 69.869 68.868 -0.164 0.000 0.984 239 T HN 0.837 nan 8.240 nan 0.000 0.442 240 D N 1.818 122.151 120.400 -0.111 0.000 2.469 240 D HA 0.217 4.857 4.640 -0.000 0.000 0.278 240 D C 1.441 177.689 176.300 -0.086 0.000 1.231 240 D CA -0.838 53.105 54.000 -0.096 0.000 1.075 240 D CB 0.680 41.440 40.800 -0.066 0.000 1.121 240 D HN 0.472 nan 8.370 nan 0.000 0.571 241 K N -0.670 119.701 120.400 -0.048 0.000 2.209 241 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 241 K C 0.650 177.237 176.600 -0.022 0.000 1.048 241 K CA 1.316 57.591 56.287 -0.020 0.000 0.940 241 K CB -0.674 31.828 32.500 0.004 0.000 0.729 241 K HN 0.353 nan 8.250 nan 0.000 0.451 242 N N 0.980 119.664 118.700 -0.026 0.000 2.314 242 N HA 0.017 4.757 4.740 -0.000 0.000 0.200 242 N C -0.586 174.906 175.510 -0.030 0.000 1.135 242 N CA -0.162 52.876 53.050 -0.021 0.000 0.835 242 N CB 0.542 39.020 38.487 -0.015 0.000 0.989 242 N HN 0.097 nan 8.380 nan 0.000 0.478 243 Q N -0.540 119.231 119.800 -0.047 0.000 2.481 243 Q HA -0.188 4.151 4.340 -0.000 0.000 0.258 243 Q C -0.681 175.291 176.000 -0.047 0.000 0.961 243 Q CA 0.923 56.693 55.803 -0.056 0.000 1.121 243 Q CB -1.431 27.281 28.738 -0.044 0.000 1.503 243 Q HN 0.445 nan 8.270 nan 0.000 0.544 244 K N 1.004 121.379 120.400 -0.042 0.000 2.379 244 K HA 0.304 4.624 4.320 -0.000 0.000 0.284 244 K C 0.151 176.727 176.600 -0.040 0.000 1.044 244 K CA -0.086 56.180 56.287 -0.034 0.000 0.974 244 K CB 0.963 33.447 32.500 -0.027 0.000 0.962 244 K HN -0.061 nan 8.250 nan 0.000 0.474 245 V N 2.390 122.285 119.914 -0.032 0.000 2.394 245 V HA 0.290 4.409 4.120 -0.000 0.000 0.282 245 V C 0.318 176.402 176.094 -0.017 0.000 1.031 245 V CA -0.327 61.955 62.300 -0.030 0.000 0.881 245 V CB 1.501 33.307 31.823 -0.028 0.000 0.982 245 V HN 0.779 nan 8.190 nan 0.000 0.451 246 S N 2.937 118.629 115.700 -0.014 0.000 2.638 246 S HA 0.741 5.211 4.470 -0.000 0.000 0.274 246 S C -0.731 173.875 174.600 0.011 0.000 1.157 246 S CA -0.459 57.742 58.200 0.001 0.000 0.826 246 S CB 2.384 65.587 63.200 0.004 0.000 1.139 246 S HN 0.728 nan 8.310 nan 0.000 0.474 247 T N 2.727 117.297 114.554 0.027 0.000 2.812 247 T HA 0.610 4.960 4.350 -0.000 0.000 0.282 247 T C -0.410 174.332 174.700 0.069 0.000 0.990 247 T CA -0.449 61.676 62.100 0.042 0.000 0.960 247 T CB 0.497 69.390 68.868 0.043 0.000 0.948 247 T HN 0.622 nan 8.240 nan 0.000 0.438 248 I N 0.316 120.941 120.570 0.092 0.000 2.603 248 I HA 0.818 4.988 4.170 -0.000 0.000 0.300 248 I C 0.066 176.285 176.117 0.170 0.000 1.017 248 I CA -0.979 60.412 61.300 0.152 0.000 1.098 248 I CB 2.182 40.310 38.000 0.213 0.000 1.279 248 I HN 0.576 nan 8.210 nan 0.000 0.437 249 T N 1.274 115.957 114.554 0.215 0.000 2.859 249 T HA 0.841 5.191 4.350 -0.000 0.000 0.281 249 T C -0.080 174.773 174.700 0.254 0.000 1.005 249 T CA -0.695 61.549 62.100 0.241 0.000 1.025 249 T CB 1.573 70.639 68.868 0.330 0.000 0.977 249 T HN 1.094 nan 8.240 nan 0.000 0.458 250 G N 1.223 110.078 108.800 0.090 0.000 2.667 250 G HA2 0.400 4.360 3.960 -0.000 0.000 0.298 250 G HA3 0.400 4.360 3.960 -0.000 0.000 0.298 250 G C 0.328 175.007 174.900 -0.368 0.000 1.377 250 G CA -0.773 44.334 45.100 0.011 0.000 0.964 250 G HN 0.599 nan 8.290 nan 0.000 0.493 251 N N 0.202 118.704 118.700 -0.331 0.000 2.062 251 N HA -0.045 4.695 4.740 -0.000 0.000 0.191 251 N C 0.419 175.944 175.510 0.026 0.000 1.042 251 N CA 1.100 53.946 53.050 -0.340 0.000 0.845 251 N CB 0.039 38.570 38.487 0.074 0.000 1.024 251 N HN 0.329 nan 8.380 nan 0.000 0.424 252 K N 0.682 121.161 120.400 0.132 0.000 2.207 252 K HA 0.341 4.661 4.320 -0.000 0.000 0.255 252 K C -0.622 176.073 176.600 0.159 0.000 0.941 252 K CA -0.672 55.724 56.287 0.182 0.000 0.825 252 K CB 2.275 34.904 32.500 0.214 0.000 1.119 252 K HN 0.067 nan 8.250 nan 0.000 0.430 253 I N 4.046 124.710 120.570 0.156 0.000 2.418 253 I HA 0.403 4.573 4.170 -0.000 0.000 0.287 253 I C 0.049 176.265 176.117 0.165 0.000 1.008 253 I CA -0.729 60.639 61.300 0.112 0.000 1.104 253 I CB 1.109 39.132 38.000 0.038 0.000 1.264 253 I HN 0.439 nan 8.210 nan 0.000 0.438 254 I N 6.567 127.216 120.570 0.132 0.000 2.330 254 I HA 0.322 4.492 4.170 -0.000 0.000 0.289 254 I C -0.186 175.984 176.117 0.088 0.000 1.001 254 I CA -0.539 60.842 61.300 0.135 0.000 1.193 254 I CB 1.408 39.474 38.000 0.110 0.000 1.345 254 I HN 0.273 nan 8.210 nan 0.000 0.461 255 L N 6.809 128.083 121.223 0.086 0.000 2.278 255 L HA 0.534 4.874 4.340 -0.000 0.000 0.287 255 L C 0.507 177.413 176.870 0.060 0.000 1.072 255 L CA -0.121 54.754 54.840 0.059 0.000 0.819 255 L CB 1.020 43.105 42.059 0.044 0.000 1.176 255 L HN 0.737 nan 8.230 nan 0.000 0.435 256 A N 1.228 124.079 122.820 0.052 0.000 3.365 256 A HA 0.292 4.612 4.320 -0.000 0.000 0.258 256 A C 0.798 178.411 177.584 0.049 0.000 0.964 256 A CA -0.234 51.832 52.037 0.050 0.000 0.988 256 A CB -0.041 18.985 19.000 0.044 0.000 1.193 256 A HN 0.729 nan 8.150 nan 0.000 0.508 257 T N -2.923 111.663 114.554 0.052 0.000 3.081 257 T HA 0.444 4.794 4.350 -0.000 0.000 0.250 257 T C 1.342 176.082 174.700 0.067 0.000 1.100 257 T CA 1.003 63.139 62.100 0.060 0.000 1.038 257 T CB -0.185 68.718 68.868 0.058 0.000 0.962 257 T HN 2.068 nan 8.240 nan 0.000 0.516 258 G N 1.185 110.023 108.800 0.063 0.000 2.641 258 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.254 258 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.254 258 G C -0.736 174.209 174.900 0.074 0.000 1.315 258 G CA -0.097 45.045 45.100 0.070 0.000 0.907 258 G HN 0.649 nan 8.290 nan 0.000 0.572 259 E N -0.454 119.797 120.200 0.085 0.000 2.410 259 E HA 0.737 5.087 4.350 -0.000 0.000 0.269 259 E C -0.230 176.432 176.600 0.104 0.000 0.937 259 E CA -1.126 55.325 56.400 0.085 0.000 0.793 259 E CB 1.644 31.390 29.700 0.076 0.000 1.314 259 E HN 0.448 nan 8.360 nan 0.000 0.447 260 R N 0.532 121.091 120.500 0.099 0.000 2.837 260 R HA 0.486 4.826 4.340 -0.000 0.000 0.271 260 R C -2.692 173.659 176.300 0.085 0.000 0.993 260 R CA -2.491 53.680 56.100 0.118 0.000 0.931 260 R CB 0.904 31.282 30.300 0.130 0.000 1.206 260 R HN 0.324 nan 8.270 nan 0.000 0.474 261 P HA 0.124 nan 4.420 nan 0.000 0.269 261 P C -0.496 176.784 177.300 -0.034 0.000 1.209 261 P CA -0.073 63.020 63.100 -0.011 0.000 0.776 261 P CB 0.590 32.249 31.700 -0.067 0.000 0.876 262 K N 1.890 122.248 120.400 -0.070 0.000 2.154 262 K HA 0.330 4.650 4.320 -0.000 0.000 0.264 262 K C -0.586 175.891 176.600 -0.205 0.000 1.008 262 K CA -0.155 56.104 56.287 -0.046 0.000 0.937 262 K CB 0.420 32.906 32.500 -0.022 0.000 1.002 262 K HN 0.424 nan 8.250 nan 0.000 0.469 263 Y N 1.646 121.875 120.300 -0.118 0.000 2.364 263 Y HA 0.247 4.797 4.550 -0.000 0.000 0.340 263 Y C -1.764 173.999 175.900 -0.228 0.000 0.975 263 Y CA -2.240 55.702 58.100 -0.263 0.000 1.089 263 Y CB 1.155 39.444 38.460 -0.285 0.000 1.192 263 Y HN 0.506 nan 8.280 nan 0.000 0.454 264 P HA 0.008 nan 4.420 nan 0.000 0.271 264 P C -0.552 176.707 177.300 -0.068 0.000 1.218 264 P CA -0.345 62.706 63.100 -0.082 0.000 0.780 264 P CB 1.108 32.770 31.700 -0.062 0.000 0.901 265 E N 2.395 122.577 120.200 -0.029 0.000 1.972 265 E HA 0.225 4.575 4.350 -0.000 0.000 0.292 265 E C -0.146 176.446 176.600 -0.013 0.000 1.193 265 E CA -0.153 56.231 56.400 -0.025 0.000 1.228 265 E CB -1.498 28.195 29.700 -0.012 0.000 1.167 265 E HN 0.395 nan 8.360 nan 0.000 0.479 266 I N -1.368 119.188 120.570 -0.023 0.000 2.969 266 I HA 0.706 4.876 4.170 -0.000 0.000 0.307 266 I C -2.500 173.621 176.117 0.007 0.000 1.149 266 I CA -3.131 58.176 61.300 0.012 0.000 1.008 266 I CB 2.183 40.213 38.000 0.050 0.000 1.232 266 I HN -0.071 nan 8.210 nan 0.000 0.435 267 P HA 0.317 nan 4.420 nan 0.000 0.271 267 P C 0.692 178.047 177.300 0.090 0.000 1.216 267 P CA 0.695 63.821 63.100 0.043 0.000 0.771 267 P CB 1.102 32.842 31.700 0.066 0.000 0.864 268 G N 2.032 110.858 108.800 0.043 0.000 2.258 268 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.233 268 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.233 268 G C 1.216 176.155 174.900 0.065 0.000 1.006 268 G CA 0.595 45.761 45.100 0.110 0.000 0.620 268 G HN 0.680 nan 8.290 nan 0.000 0.511 269 A N 0.255 123.105 122.820 0.050 0.000 1.851 269 A HA 0.185 4.505 4.320 -0.000 0.000 0.216 269 A C 2.598 180.177 177.584 -0.008 0.000 1.195 269 A CA 3.158 55.197 52.037 0.003 0.000 0.622 269 A CB -0.777 18.013 19.000 -0.350 0.000 0.831 269 A HN 1.137 nan 8.150 nan 0.000 0.444 270 V N -0.185 119.588 119.914 -0.234 0.000 2.515 270 V HA -0.199 3.921 4.120 -0.000 0.000 0.250 270 V C 2.429 178.367 176.094 -0.260 0.000 1.058 270 V CA 2.329 64.367 62.300 -0.436 0.000 1.064 270 V CB -0.820 30.676 31.823 -0.545 0.000 0.675 270 V HN 0.605 nan 8.190 nan 0.000 0.461 271 E N -0.773 119.220 120.200 -0.344 0.000 2.051 271 E HA -0.062 4.288 4.350 -0.000 0.000 0.189 271 E C 1.718 178.125 176.600 -0.321 0.000 0.979 271 E CA 1.383 57.476 56.400 -0.511 0.000 0.803 271 E CB -0.155 28.904 29.700 -1.069 0.000 0.761 271 E HN 0.804 nan 8.360 nan 0.000 0.451 272 Y N -0.957 119.418 120.300 0.127 0.000 2.445 272 Y HA 0.406 4.956 4.550 0.000 0.000 0.247 272 Y C 1.056 177.072 175.900 0.194 0.000 1.129 272 Y CA -0.486 57.697 58.100 0.139 0.000 1.251 272 Y CB 1.001 39.529 38.460 0.114 0.000 1.176 272 Y HN -0.058 nan 8.280 nan 0.000 0.522 273 G N 1.310 110.359 108.800 0.416 0.000 2.441 273 G HA2 0.615 4.575 3.960 -0.000 0.000 0.334 273 G HA3 0.615 4.575 3.960 -0.000 0.000 0.334 273 G C -0.732 174.416 174.900 0.413 0.000 1.161 273 G CA -0.670 44.716 45.100 0.477 0.000 0.935 273 G HN 0.215 nan 8.290 nan 0.000 0.488 274 I N -1.418 119.312 120.570 0.267 0.000 3.023 274 I HA 0.893 5.063 4.170 -0.000 0.000 0.312 274 I C 0.357 176.551 176.117 0.129 0.000 1.056 274 I CA -0.922 60.498 61.300 0.200 0.000 1.033 274 I CB 2.451 40.509 38.000 0.096 0.000 1.233 274 I HN 0.614 nan 8.210 nan 0.000 0.462 275 T N -1.379 113.217 114.554 0.069 0.000 2.762 275 T HA 0.321 4.671 4.350 -0.000 0.000 0.272 275 T C 1.025 175.687 174.700 -0.063 0.000 0.982 275 T CA 0.008 62.092 62.100 -0.026 0.000 1.013 275 T CB 1.018 69.849 68.868 -0.062 0.000 1.309 275 T HN 0.812 nan 8.240 nan 0.000 0.572 276 S N -0.148 115.504 115.700 -0.080 0.000 2.419 276 S HA -0.130 4.340 4.470 -0.000 0.000 0.233 276 S C 1.235 175.808 174.600 -0.045 0.000 1.016 276 S CA 1.271 59.388 58.200 -0.138 0.000 0.974 276 S CB -0.913 62.300 63.200 0.022 0.000 0.786 276 S HN 0.692 nan 8.310 nan 0.000 0.492 277 D N 2.046 122.489 120.400 0.072 0.000 2.218 277 D HA -0.044 4.596 4.640 -0.000 0.000 0.204 277 D C 1.372 177.790 176.300 0.196 0.000 0.976 277 D CA 1.192 55.289 54.000 0.162 0.000 0.853 277 D CB -0.236 40.788 40.800 0.374 0.000 0.939 277 D HN 0.550 nan 8.370 nan 0.000 0.481 278 D N -0.588 119.883 120.400 0.117 0.000 2.379 278 D HA -0.014 4.626 4.640 -0.000 0.000 0.218 278 D C 2.113 178.424 176.300 0.019 0.000 1.006 278 D CA -0.117 53.951 54.000 0.113 0.000 0.893 278 D CB 0.063 40.931 40.800 0.114 0.000 1.019 278 D HN 0.117 nan 8.370 nan 0.000 0.503 279 L N 0.584 121.731 121.223 -0.125 0.000 2.042 279 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 279 L C 1.727 178.568 176.870 -0.049 0.000 1.076 279 L CA 1.602 56.332 54.840 -0.183 0.000 0.749 279 L CB -0.603 41.208 42.059 -0.413 0.000 0.893 279 L HN -0.166 nan 8.230 nan 0.000 0.432 280 F N -0.792 119.226 119.950 0.114 0.000 2.604 280 F HA 0.016 4.543 4.527 -0.000 0.000 0.298 280 F C 2.323 178.119 175.800 -0.006 0.000 1.131 280 F CA 0.805 58.823 58.000 0.031 0.000 1.457 280 F CB -0.805 38.160 39.000 -0.060 0.000 1.095 280 F HN 0.355 nan 8.300 nan 0.000 0.574 281 S N -1.051 114.758 115.700 0.180 0.000 2.650 281 S HA 0.233 4.703 4.470 -0.000 0.000 0.240 281 S C 0.192 174.872 174.600 0.134 0.000 1.007 281 S CA -0.411 57.868 58.200 0.132 0.000 0.984 281 S CB -0.505 62.786 63.200 0.151 0.000 0.910 281 S HN 0.038 nan 8.310 nan 0.000 0.509 282 L N 4.300 125.622 121.223 0.166 0.000 2.615 282 L HA 0.262 4.602 4.340 -0.000 0.000 0.271 282 L C -1.275 175.710 176.870 0.191 0.000 1.183 282 L CA -1.196 53.688 54.840 0.073 0.000 0.933 282 L CB 0.439 42.465 42.059 -0.055 0.000 1.199 282 L HN 0.041 nan 8.230 nan 0.000 0.487 283 P HA -0.152 nan 4.420 nan 0.000 0.218 283 P C -0.553 176.945 177.300 0.329 0.000 1.149 283 P CA 1.257 64.485 63.100 0.214 0.000 0.817 283 P CB -0.176 31.658 31.700 0.223 0.000 0.785 284 Y N -2.563 117.898 120.300 0.268 0.000 2.496 284 Y HA 0.623 5.172 4.550 -0.000 0.000 0.331 284 Y C -0.109 175.738 175.900 -0.089 0.000 1.140 284 Y CA -2.420 55.780 58.100 0.167 0.000 1.166 284 Y CB 0.078 38.581 38.460 0.071 0.000 1.249 284 Y HN -0.291 nan 8.280 nan 0.000 0.479 285 F N 4.582 124.430 119.950 -0.171 0.000 2.467 285 F HA 0.374 4.901 4.527 -0.000 0.000 0.362 285 F C -1.780 173.826 175.800 -0.325 0.000 1.090 285 F CA -2.891 54.695 58.000 -0.689 0.000 1.202 285 F CB 1.099 39.942 39.000 -0.262 0.000 1.113 285 F HN 0.392 nan 8.300 nan 0.000 0.541 286 P HA -0.049 nan 4.420 nan 0.000 0.217 286 P C 0.805 177.782 177.300 -0.538 0.000 1.151 286 P CA 2.107 64.785 63.100 -0.704 0.000 0.849 286 P CB -0.226 30.964 31.700 -0.850 0.000 0.787 287 G N -0.942 107.332 108.800 -0.877 0.000 2.528 287 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.262 287 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.262 287 G C -0.297 174.506 174.900 -0.161 0.000 1.200 287 G CA -0.139 44.824 45.100 -0.228 0.000 0.951 287 G HN 0.444 nan 8.290 nan 0.000 0.566 288 K N 1.483 121.871 120.400 -0.020 0.000 2.395 288 K HA 0.404 4.724 4.320 -0.000 0.000 0.283 288 K C -0.440 176.217 176.600 0.095 0.000 1.068 288 K CA 0.914 57.230 56.287 0.047 0.000 1.039 288 K CB -0.382 32.147 32.500 0.049 0.000 0.924 288 K HN 0.523 nan 8.250 nan 0.000 0.468 289 T N 4.780 119.356 114.554 0.035 0.000 2.841 289 T HA 0.323 4.673 4.350 -0.000 0.000 0.283 289 T C -1.139 173.388 174.700 -0.288 0.000 1.000 289 T CA -0.747 61.278 62.100 -0.126 0.000 0.977 289 T CB 1.270 69.980 68.868 -0.263 0.000 0.979 289 T HN 0.427 nan 8.240 nan 0.000 0.446 290 L N 4.109 124.962 121.223 -0.617 0.000 2.287 290 L HA 0.665 5.005 4.340 -0.000 0.000 0.287 290 L C -0.995 175.520 176.870 -0.592 0.000 1.022 290 L CA -0.522 53.784 54.840 -0.890 0.000 0.814 290 L CB 1.210 42.330 42.059 -1.566 0.000 1.217 290 L HN 0.462 nan 8.230 nan 0.000 0.420 291 V N 6.987 126.616 119.914 -0.475 0.000 2.333 291 V HA 0.386 4.506 4.120 -0.000 0.000 0.274 291 V C 0.289 176.170 176.094 -0.355 0.000 1.028 291 V CA -0.410 61.657 62.300 -0.389 0.000 0.851 291 V CB 1.015 32.654 31.823 -0.307 0.000 1.000 291 V HN 0.583 nan 8.190 nan 0.000 0.456 292 I N 5.124 125.469 120.570 -0.375 0.000 2.312 292 I HA 0.720 4.890 4.170 -0.000 0.000 0.291 292 I C 0.848 176.879 176.117 -0.144 0.000 1.031 292 I CA 0.478 61.616 61.300 -0.270 0.000 1.293 292 I CB 0.951 38.782 38.000 -0.280 0.000 1.403 292 I HN 0.878 nan 8.210 nan 0.000 0.484 293 G N 4.330 113.065 108.800 -0.107 0.000 2.362 293 G HA2 0.270 4.230 3.960 -0.000 0.000 0.656 293 G HA3 0.270 4.230 3.960 -0.000 0.000 0.656 293 G C -0.589 174.288 174.900 -0.038 0.000 1.376 293 G CA -0.201 44.864 45.100 -0.058 0.000 0.971 293 G HN 0.773 nan 8.290 nan 0.000 0.636 294 A N -0.397 122.421 122.820 -0.005 0.000 2.661 294 A HA 0.742 5.062 4.320 -0.000 0.000 0.278 294 A C 1.246 178.854 177.584 0.040 0.000 1.090 294 A CA 1.378 53.434 52.037 0.031 0.000 0.969 294 A CB -0.387 18.639 19.000 0.043 0.000 1.240 294 A HN 2.413 nan 8.150 nan 0.000 0.578 295 S N -0.484 115.227 115.700 0.019 0.000 2.606 295 S HA 0.213 4.683 4.470 -0.000 0.000 0.257 295 S C 1.181 175.790 174.600 0.016 0.000 1.327 295 S CA 0.414 58.637 58.200 0.039 0.000 0.984 295 S CB -0.139 63.041 63.200 -0.033 0.000 0.941 295 S HN 1.012 nan 8.310 nan 0.000 0.576 296 Y N -0.405 119.894 120.300 -0.001 0.000 2.274 296 Y HA 0.025 4.575 4.550 -0.000 0.000 0.290 296 Y C 1.867 177.788 175.900 0.035 0.000 1.145 296 Y CA 1.027 59.104 58.100 -0.039 0.000 1.203 296 Y CB -1.344 37.060 38.460 -0.093 0.000 0.984 296 Y HN 0.279 nan 8.280 nan 0.000 0.533 297 V N 1.517 121.094 119.914 -0.563 0.000 2.287 297 V HA -0.329 3.790 4.120 -0.000 0.000 0.248 297 V C 2.920 178.940 176.094 -0.123 0.000 1.053 297 V CA 2.010 64.120 62.300 -0.317 0.000 1.027 297 V CB -1.527 30.080 31.823 -0.360 0.000 0.646 297 V HN 0.651 nan 8.190 nan 0.000 0.447 298 A N -0.243 122.501 122.820 -0.128 0.000 1.883 298 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 298 A C 2.218 179.753 177.584 -0.081 0.000 1.186 298 A CA 1.981 53.954 52.037 -0.107 0.000 0.624 298 A CB -0.560 18.388 19.000 -0.087 0.000 0.822 298 A HN 0.504 nan 8.150 nan 0.000 0.444 299 L N -1.095 120.119 121.223 -0.014 0.000 2.109 299 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 299 L C 2.600 179.497 176.870 0.044 0.000 1.086 299 L CA 1.363 56.224 54.840 0.035 0.000 0.760 299 L CB -0.626 41.488 42.059 0.092 0.000 0.910 299 L HN 0.471 nan 8.230 nan 0.000 0.437 300 E N -0.407 119.844 120.200 0.085 0.000 2.051 300 E HA -0.232 4.118 4.350 -0.000 0.000 0.192 300 E C 2.349 178.987 176.600 0.064 0.000 0.991 300 E CA 1.730 58.235 56.400 0.176 0.000 0.799 300 E CB -0.168 29.700 29.700 0.279 0.000 0.748 300 E HN 0.513 nan 8.360 nan 0.000 0.449 301 C N 0.607 119.846 119.300 -0.102 0.000 2.436 301 C HA -0.107 4.353 4.460 -0.000 0.000 0.277 301 C C 2.932 177.451 174.990 -0.786 0.000 1.241 301 C CA 0.864 59.541 59.018 -0.568 0.000 1.721 301 C CB -1.016 26.550 27.740 -0.290 0.000 2.043 301 C HN 0.540 nan 8.230 nan 0.000 0.472 302 A N 0.777 123.359 122.820 -0.396 0.000 1.940 302 A HA -0.009 4.311 4.320 -0.000 0.000 0.219 302 A C 2.340 179.781 177.584 -0.238 0.000 1.176 302 A CA 2.245 54.092 52.037 -0.316 0.000 0.631 302 A CB -1.270 17.585 19.000 -0.241 0.000 0.814 302 A HN 0.591 nan 8.150 nan 0.000 0.446 303 G N 0.094 108.810 108.800 -0.140 0.000 2.480 303 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 303 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 303 G C 1.446 176.412 174.900 0.110 0.000 1.200 303 G CA 1.357 46.487 45.100 0.051 0.000 0.782 303 G HN 0.854 nan 8.290 nan 0.000 0.554 304 F N 0.250 120.315 119.950 0.192 0.000 2.259 304 F HA 0.277 4.804 4.527 -0.000 0.000 0.298 304 F C 2.263 178.165 175.800 0.170 0.000 1.088 304 F CA 0.309 58.421 58.000 0.187 0.000 1.358 304 F CB -0.450 38.679 39.000 0.216 0.000 1.040 304 F HN 0.030 nan 8.300 nan 0.000 0.505 305 L N 1.072 122.229 121.223 -0.111 0.000 2.083 305 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 305 L C 3.000 179.943 176.870 0.121 0.000 1.083 305 L CA 1.178 56.048 54.840 0.050 0.000 0.752 305 L CB -0.995 40.926 42.059 -0.229 0.000 0.899 305 L HN 0.381 nan 8.230 nan 0.000 0.433 306 A N -0.900 121.950 122.820 0.050 0.000 1.898 306 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 306 A C 2.444 180.101 177.584 0.122 0.000 1.181 306 A CA 1.915 53.999 52.037 0.077 0.000 0.620 306 A CB -0.515 18.513 19.000 0.047 0.000 0.819 306 A HN 0.365 nan 8.150 nan 0.000 0.442 307 S N -0.389 115.405 115.700 0.157 0.000 2.481 307 S HA 0.079 4.549 4.470 -0.000 0.000 0.231 307 S C 0.986 175.639 174.600 0.088 0.000 0.996 307 S CA 0.591 58.877 58.200 0.144 0.000 0.942 307 S CB -0.239 63.087 63.200 0.210 0.000 0.768 307 S HN 0.479 nan 8.310 nan 0.000 0.520 308 L N 1.316 122.620 121.223 0.134 0.000 2.978 308 L HA 0.322 4.662 4.340 -0.000 0.000 0.239 308 L C 1.094 178.031 176.870 0.111 0.000 1.293 308 L CA -0.333 54.538 54.840 0.052 0.000 1.085 308 L CB -0.564 41.579 42.059 0.140 0.000 1.432 308 L HN 0.334 nan 8.230 nan 0.000 0.512 309 G N 0.523 109.385 108.800 0.103 0.000 2.314 309 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.292 309 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.292 309 G C 0.289 175.319 174.900 0.216 0.000 1.059 309 G CA 0.093 45.247 45.100 0.090 0.000 0.982 309 G HN 0.588 nan 8.290 nan 0.000 0.505 310 G N -0.808 108.153 108.800 0.268 0.000 2.448 310 G HA2 0.546 4.506 3.960 -0.000 0.000 0.324 310 G HA3 0.546 4.506 3.960 -0.000 0.000 0.324 310 G C -0.890 174.076 174.900 0.109 0.000 1.203 310 G CA -0.266 44.996 45.100 0.271 0.000 0.954 310 G HN 0.259 nan 8.290 nan 0.000 0.480 311 D N 1.290 121.738 120.400 0.079 0.000 2.411 311 D HA 0.346 4.986 4.640 -0.000 0.000 0.225 311 D C -0.254 176.061 176.300 0.025 0.000 1.156 311 D CA -0.066 53.963 54.000 0.048 0.000 0.874 311 D CB 0.996 41.827 40.800 0.052 0.000 1.034 311 D HN 0.044 nan 8.370 nan 0.000 0.502 312 V N 3.634 123.538 119.914 -0.016 0.000 2.495 312 V HA 0.498 4.618 4.120 -0.000 0.000 0.298 312 V C 0.316 176.342 176.094 -0.114 0.000 1.031 312 V CA -0.652 61.595 62.300 -0.089 0.000 0.871 312 V CB 1.998 33.734 31.823 -0.145 0.000 0.988 312 V HN 0.506 nan 8.190 nan 0.000 0.432 313 T N 3.766 118.236 114.554 -0.141 0.000 2.841 313 T HA 0.616 4.966 4.350 -0.000 0.000 0.283 313 T C -0.527 173.978 174.700 -0.324 0.000 1.000 313 T CA -0.507 61.488 62.100 -0.175 0.000 0.977 313 T CB 1.887 70.784 68.868 0.048 0.000 0.979 313 T HN 0.325 nan 8.240 nan 0.000 0.446 314 V N 3.955 123.637 119.914 -0.388 0.000 2.384 314 V HA 0.431 4.551 4.120 -0.000 0.000 0.287 314 V C -0.071 175.919 176.094 -0.173 0.000 1.020 314 V CA -0.747 61.360 62.300 -0.323 0.000 0.850 314 V CB 1.550 33.147 31.823 -0.377 0.000 0.987 314 V HN 0.871 nan 8.190 nan 0.000 0.436 315 M N 5.721 125.193 119.600 -0.212 0.000 2.063 315 M HA 0.478 4.958 4.480 -0.000 0.000 0.348 315 M C -1.206 175.017 176.300 -0.129 0.000 1.180 315 M CA -0.365 54.803 55.300 -0.220 0.000 1.059 315 M CB 1.108 33.481 32.600 -0.377 0.000 1.544 315 M HN 0.478 nan 8.290 nan 0.000 0.447 316 V N 5.886 125.767 119.914 -0.056 0.000 2.398 316 V HA 0.333 4.453 4.120 -0.000 0.000 0.286 316 V C 0.881 176.943 176.094 -0.053 0.000 1.026 316 V CA -0.554 61.737 62.300 -0.014 0.000 0.868 316 V CB 1.419 33.277 31.823 0.059 0.000 0.982 316 V HN 0.924 nan 8.190 nan 0.000 0.443 317 R N 2.826 123.294 120.500 -0.053 0.000 2.062 317 R HA -0.080 4.260 4.340 -0.000 0.000 0.229 317 R C 1.674 177.958 176.300 -0.027 0.000 1.128 317 R CA 2.036 58.101 56.100 -0.058 0.000 0.960 317 R CB 0.234 30.506 30.300 -0.046 0.000 0.855 317 R HN 0.896 nan 8.270 nan 0.000 0.432 318 S N -0.804 114.890 115.700 -0.009 0.000 4.207 318 S HA 0.221 4.690 4.470 -0.000 0.000 0.177 318 S C 0.643 175.242 174.600 -0.001 0.000 0.981 318 S CA -0.298 57.902 58.200 0.000 0.000 1.097 318 S CB -0.180 63.023 63.200 0.006 0.000 1.525 318 S HN 0.307 nan 8.310 nan 0.000 0.686 319 I N 0.191 120.763 120.570 0.005 0.000 2.957 319 I HA 0.669 4.839 4.170 -0.000 0.000 0.310 319 I C -1.103 175.021 176.117 0.011 0.000 1.063 319 I CA -1.522 59.778 61.300 0.000 0.000 1.033 319 I CB 1.633 39.639 38.000 0.009 0.000 1.230 319 I HN 0.258 nan 8.210 nan 0.000 0.447 320 L N 3.916 125.137 121.223 -0.004 0.000 2.375 320 L HA 0.398 4.738 4.340 -0.000 0.000 0.271 320 L C 0.026 176.926 176.870 0.051 0.000 1.107 320 L CA -0.980 53.867 54.840 0.012 0.000 0.806 320 L CB 1.030 43.069 42.059 -0.032 0.000 1.146 320 L HN 0.630 nan 8.230 nan 0.000 0.447 321 L N 2.110 123.378 121.223 0.075 0.000 3.895 321 L HA -0.235 4.105 4.340 -0.000 0.000 0.511 321 L C 0.697 177.734 176.870 0.278 0.000 1.222 321 L CA 0.207 55.134 54.840 0.144 0.000 0.739 321 L CB -1.350 40.700 42.059 -0.016 0.000 1.425 321 L HN 0.704 nan 8.230 nan 0.000 0.817 322 R N 1.311 121.940 120.500 0.216 0.000 2.538 322 R HA 0.275 4.615 4.340 -0.000 0.000 0.282 322 R C 1.426 177.868 176.300 0.238 0.000 1.009 322 R CA 1.259 57.468 56.100 0.182 0.000 1.063 322 R CB 0.373 30.744 30.300 0.118 0.000 0.945 322 R HN 0.596 nan 8.270 nan 0.000 0.414 323 G N 3.382 112.279 108.800 0.162 0.000 2.254 323 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.225 323 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.225 323 G C -0.075 174.818 174.900 -0.012 0.000 1.003 323 G CA -0.166 44.968 45.100 0.057 0.000 0.622 323 G HN 0.517 nan 8.290 nan 0.000 0.507 324 F N 1.819 121.831 119.950 0.104 0.000 2.380 324 F HA 0.486 5.012 4.527 -0.000 0.000 0.321 324 F C 0.903 176.774 175.800 0.118 0.000 1.103 324 F CA -0.395 57.699 58.000 0.157 0.000 1.067 324 F CB 0.622 39.764 39.000 0.237 0.000 1.265 324 F HN -0.012 nan 8.300 nan 0.000 0.517 325 D N 1.776 122.377 120.400 0.335 0.000 2.520 325 D HA -0.096 4.544 4.640 -0.000 0.000 0.243 325 D C 0.644 176.971 176.300 0.046 0.000 1.160 325 D CA 0.200 54.266 54.000 0.109 0.000 0.877 325 D CB 0.976 41.744 40.800 -0.055 0.000 1.150 325 D HN 0.478 nan 8.370 nan 0.000 0.494 326 Q N 2.859 122.661 119.800 0.004 0.000 2.187 326 Q HA -0.148 4.191 4.340 -0.000 0.000 0.199 326 Q C 1.672 177.623 176.000 -0.082 0.000 0.957 326 Q CA 0.765 56.555 55.803 -0.021 0.000 0.857 326 Q CB -0.086 28.644 28.738 -0.013 0.000 0.929 326 Q HN 0.703 nan 8.270 nan 0.000 0.453 327 Q N -0.247 119.488 119.800 -0.108 0.000 2.050 327 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 327 Q C 1.817 177.689 176.000 -0.214 0.000 0.980 327 Q CA 1.044 56.754 55.803 -0.155 0.000 0.840 327 Q CB 0.149 28.796 28.738 -0.151 0.000 0.898 327 Q HN 0.228 nan 8.270 nan 0.000 0.424 328 M N 0.074 119.528 119.600 -0.244 0.000 2.117 328 M HA -0.109 4.371 4.480 -0.000 0.000 0.262 328 M C 2.296 178.345 176.300 -0.418 0.000 1.065 328 M CA 1.520 56.572 55.300 -0.414 0.000 1.114 328 M CB -1.448 30.736 32.600 -0.693 0.000 1.361 328 M HN 0.321 nan 8.290 nan 0.000 0.408 329 A N -0.227 122.436 122.820 -0.262 0.000 1.933 329 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 329 A C 2.192 179.689 177.584 -0.145 0.000 1.175 329 A CA 1.951 53.891 52.037 -0.162 0.000 0.628 329 A CB -0.777 18.194 19.000 -0.048 0.000 0.814 329 A HN 0.595 nan 8.150 nan 0.000 0.444 330 E N -0.118 119.992 120.200 -0.148 0.000 2.072 330 E HA -0.196 4.153 4.350 -0.000 0.000 0.191 330 E C 1.929 178.450 176.600 -0.132 0.000 0.985 330 E CA 1.335 57.649 56.400 -0.143 0.000 0.801 330 E CB -0.075 29.544 29.700 -0.135 0.000 0.750 330 E HN 0.634 nan 8.360 nan 0.000 0.452 331 K N -0.055 120.255 120.400 -0.150 0.000 2.097 331 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 331 K C 2.127 178.709 176.600 -0.029 0.000 1.050 331 K CA 1.123 57.347 56.287 -0.105 0.000 0.938 331 K CB 0.051 32.455 32.500 -0.161 0.000 0.718 331 K HN 0.032 nan 8.250 nan 0.000 0.442 332 V N 0.930 120.801 119.914 -0.072 0.000 2.332 332 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 332 V C 2.355 178.507 176.094 0.097 0.000 1.055 332 V CA 2.277 64.582 62.300 0.007 0.000 1.038 332 V CB -0.938 30.864 31.823 -0.035 0.000 0.651 332 V HN 0.511 nan 8.190 nan 0.000 0.450 333 G N -0.643 108.161 108.800 0.008 0.000 2.402 333 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 333 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 333 G C 1.195 176.100 174.900 0.008 0.000 1.162 333 G CA 0.913 45.988 45.100 -0.041 0.000 0.777 333 G HN 0.498 nan 8.290 nan 0.000 0.539 334 D N -0.546 119.855 120.400 0.001 0.000 2.104 334 D HA -0.144 4.496 4.640 -0.000 0.000 0.194 334 D C 1.899 178.293 176.300 0.156 0.000 0.994 334 D CA 0.777 54.803 54.000 0.043 0.000 0.830 334 D CB -0.368 40.443 40.800 0.019 0.000 0.959 334 D HN 0.373 nan 8.370 nan 0.000 0.452 335 Y N 0.682 121.048 120.300 0.109 0.000 2.128 335 Y HA -0.218 4.332 4.550 -0.000 0.000 0.284 335 Y C 2.343 178.417 175.900 0.289 0.000 1.154 335 Y CA 1.595 59.819 58.100 0.208 0.000 1.149 335 Y CB -0.193 38.369 38.460 0.171 0.000 0.976 335 Y HN -0.086 nan 8.280 nan 0.000 0.505 336 M N -0.286 119.553 119.600 0.400 0.000 2.117 336 M HA -0.246 4.234 4.480 -0.000 0.000 0.262 336 M C 2.254 178.730 176.300 0.294 0.000 1.065 336 M CA 2.163 57.676 55.300 0.354 0.000 1.114 336 M CB -0.401 32.450 32.600 0.418 0.000 1.361 336 M HN 0.318 nan 8.290 nan 0.000 0.408 337 E N 0.422 120.841 120.200 0.365 0.000 2.150 337 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 337 E C 1.348 178.008 176.600 0.099 0.000 0.985 337 E CA 0.938 57.522 56.400 0.307 0.000 0.814 337 E CB 0.139 30.013 29.700 0.291 0.000 0.752 337 E HN 0.457 nan 8.360 nan 0.000 0.466 338 N N -0.242 118.467 118.700 0.014 0.000 2.467 338 N HA -0.053 4.687 4.740 -0.000 0.000 0.184 338 N C -0.082 175.199 175.510 -0.383 0.000 1.106 338 N CA 0.672 53.622 53.050 -0.167 0.000 0.892 338 N CB 0.170 38.533 38.487 -0.206 0.000 0.969 338 N HN 0.260 nan 8.380 nan 0.000 0.454 339 H N -1.365 117.630 119.070 -0.125 0.000 2.528 339 H HA 0.400 4.956 4.556 -0.000 0.000 0.256 339 H C 1.127 176.441 175.328 -0.024 0.000 1.204 339 H CA 0.264 56.247 56.048 -0.109 0.000 0.955 339 H CB 0.363 30.012 29.762 -0.188 0.000 1.817 339 H HN 0.180 nan 8.280 nan 0.000 0.579 340 G N -0.357 108.467 108.800 0.041 0.000 2.345 340 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.218 340 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.218 340 G C 0.178 175.082 174.900 0.007 0.000 1.058 340 G CA -0.027 45.091 45.100 0.030 0.000 0.632 340 G HN 0.241 nan 8.290 nan 0.000 0.508 341 V N 3.013 122.928 119.914 0.001 0.000 2.485 341 V HA 0.320 4.440 4.120 -0.000 0.000 0.287 341 V C 0.825 176.801 176.094 -0.197 0.000 1.022 341 V CA 0.513 62.728 62.300 -0.143 0.000 1.067 341 V CB 1.068 32.771 31.823 -0.199 0.000 0.967 341 V HN 0.397 nan 8.190 nan 0.000 0.479 342 K N 4.308 124.559 120.400 -0.249 0.000 2.098 342 K HA 0.623 4.943 4.320 -0.000 0.000 0.261 342 K C -1.119 175.255 176.600 -0.376 0.000 0.987 342 K CA -0.324 55.878 56.287 -0.140 0.000 0.916 342 K CB 1.298 33.792 32.500 -0.009 0.000 1.039 342 K HN 0.451 nan 8.250 nan 0.000 0.455 343 F N 0.482 120.460 119.950 0.048 0.000 2.529 343 F HA 0.364 4.891 4.527 -0.000 0.000 0.320 343 F C -0.075 175.766 175.800 0.068 0.000 1.118 343 F CA -0.920 57.099 58.000 0.033 0.000 0.915 343 F CB 1.947 40.959 39.000 0.021 0.000 1.161 343 F HN 0.455 nan 8.300 nan 0.000 0.445 344 A N 4.413 127.347 122.820 0.191 0.000 2.444 344 A HA 0.495 4.815 4.320 -0.000 0.000 0.332 344 A C -0.245 177.409 177.584 0.116 0.000 1.430 344 A CA -0.736 51.397 52.037 0.161 0.000 0.975 344 A CB -0.165 18.817 19.000 -0.030 0.000 1.147 344 A HN 0.756 nan 8.150 nan 0.000 0.524 345 K N 1.493 122.020 120.400 0.213 0.000 2.270 345 K HA 0.454 4.774 4.320 -0.000 0.000 0.276 345 K C -0.109 176.587 176.600 0.160 0.000 1.023 345 K CA -0.424 55.952 56.287 0.149 0.000 0.955 345 K CB 0.596 33.170 32.500 0.125 0.000 0.975 345 K HN 0.646 nan 8.250 nan 0.000 0.471 346 L N 0.822 122.086 121.223 0.068 0.000 3.660 346 L HA -0.267 4.073 4.340 -0.000 0.000 0.440 346 L C -0.459 176.398 176.870 -0.021 0.000 1.262 346 L CA -0.147 54.723 54.840 0.051 0.000 0.837 346 L CB -1.690 40.432 42.059 0.105 0.000 1.689 346 L HN 0.706 nan 8.230 nan 0.000 0.890 347 C N 0.679 119.871 119.300 -0.180 0.000 2.563 347 C HA 0.912 5.372 4.460 -0.000 0.000 0.314 347 C C 0.205 174.955 174.990 -0.401 0.000 1.199 347 C CA 0.071 58.825 59.018 -0.441 0.000 1.564 347 C CB 1.450 28.771 27.740 -0.699 0.000 2.173 347 C HN 0.296 nan 8.230 nan 0.000 0.485 348 V N 3.558 123.183 119.914 -0.482 0.000 2.876 348 V HA 0.816 4.936 4.120 -0.000 0.000 0.312 348 V C -2.799 173.111 176.094 -0.307 0.000 1.085 348 V CA -1.883 60.203 62.300 -0.356 0.000 0.945 348 V CB 1.811 33.451 31.823 -0.305 0.000 1.017 348 V HN 0.789 nan 8.190 nan 0.000 0.428 349 P HA 0.532 nan 4.420 nan 0.000 0.286 349 P C -0.761 176.578 177.300 0.066 0.000 1.261 349 P CA -0.134 62.946 63.100 -0.033 0.000 0.821 349 P CB 1.905 33.628 31.700 0.038 0.000 1.013 350 D N 0.346 120.818 120.400 0.121 0.000 2.525 350 D HA 0.060 4.700 4.640 -0.000 0.000 0.248 350 D C 0.376 176.753 176.300 0.128 0.000 1.000 350 D CA 0.957 55.043 54.000 0.143 0.000 0.923 350 D CB 0.894 41.797 40.800 0.172 0.000 1.101 350 D HN 0.649 nan 8.370 nan 0.000 0.493 351 E N -0.207 120.080 120.200 0.145 0.000 2.401 351 E HA 0.492 4.842 4.350 -0.000 0.000 0.280 351 E C -1.536 175.177 176.600 0.188 0.000 1.039 351 E CA -0.735 55.758 56.400 0.155 0.000 0.814 351 E CB 1.403 31.180 29.700 0.128 0.000 1.275 351 E HN -0.222 nan 8.360 nan 0.000 0.448 352 I N 1.569 122.278 120.570 0.231 0.000 2.382 352 I HA 0.313 4.483 4.170 -0.000 0.000 0.286 352 I C -0.395 175.867 176.117 0.242 0.000 1.002 352 I CA -0.366 61.086 61.300 0.253 0.000 1.135 352 I CB 1.718 39.923 38.000 0.343 0.000 1.288 352 I HN 0.424 nan 8.210 nan 0.000 0.448 353 K N 5.853 126.315 120.400 0.104 0.000 2.159 353 K HA 0.377 4.697 4.320 -0.000 0.000 0.266 353 K C -0.434 176.036 176.600 -0.217 0.000 0.975 353 K CA -0.644 55.633 56.287 -0.016 0.000 0.865 353 K CB 1.104 33.605 32.500 0.003 0.000 1.087 353 K HN 0.594 nan 8.250 nan 0.000 0.446 354 Q N 4.436 123.913 119.800 -0.538 0.000 2.295 354 Q HA 0.107 4.447 4.340 -0.000 0.000 0.259 354 Q C 0.090 175.924 176.000 -0.276 0.000 0.976 354 Q CA -0.048 55.390 55.803 -0.608 0.000 0.923 354 Q CB 0.811 28.940 28.738 -1.015 0.000 1.185 354 Q HN 0.767 nan 8.270 nan 0.000 0.410 355 L N 3.115 124.227 121.223 -0.185 0.000 2.470 355 L HA 0.306 4.646 4.340 -0.000 0.000 0.219 355 L C 0.254 177.063 176.870 -0.101 0.000 1.071 355 L CA 0.396 55.167 54.840 -0.115 0.000 0.850 355 L CB 0.439 42.446 42.059 -0.086 0.000 1.040 355 L HN 0.462 nan 8.230 nan 0.000 0.475 356 K N -0.329 120.004 120.400 -0.112 0.000 2.543 356 K HA 0.404 4.724 4.320 -0.000 0.000 0.255 356 K C -1.273 175.275 176.600 -0.086 0.000 0.934 356 K CA -0.480 55.755 56.287 -0.086 0.000 0.810 356 K CB 2.518 34.973 32.500 -0.074 0.000 1.315 356 K HN -0.334 nan 8.250 nan 0.000 0.433 357 V N 3.566 123.443 119.914 -0.061 0.000 2.583 357 V HA 0.150 4.270 4.120 -0.000 0.000 0.287 357 V C 0.177 176.238 176.094 -0.056 0.000 1.051 357 V CA -0.851 61.427 62.300 -0.037 0.000 1.010 357 V CB 1.455 33.273 31.823 -0.008 0.000 0.988 357 V HN 0.543 nan 8.190 nan 0.000 0.478 358 V N 3.973 123.852 119.914 -0.059 0.000 2.539 358 V HA -0.052 4.068 4.120 -0.000 0.000 0.300 358 V C 0.692 176.730 176.094 -0.093 0.000 1.019 358 V CA 0.393 62.612 62.300 -0.134 0.000 1.160 358 V CB 0.267 32.020 31.823 -0.116 0.000 0.901 358 V HN 0.892 nan 8.190 nan 0.000 0.481 359 D N 4.512 124.837 120.400 -0.124 0.000 2.402 359 D HA 0.093 4.733 4.640 -0.000 0.000 0.235 359 D C 1.430 177.715 176.300 -0.026 0.000 1.226 359 D CA 0.355 54.319 54.000 -0.060 0.000 0.918 359 D CB 1.389 42.156 40.800 -0.055 0.000 1.043 359 D HN 0.784 nan 8.370 nan 0.000 0.506 360 T N 1.089 115.653 114.554 0.015 0.000 2.737 360 T HA -0.220 4.130 4.350 -0.000 0.000 0.265 360 T C 1.354 176.093 174.700 0.065 0.000 1.038 360 T CA 1.075 63.211 62.100 0.061 0.000 1.144 360 T CB -0.231 68.677 68.868 0.066 0.000 0.866 360 T HN 0.563 nan 8.240 nan 0.000 0.434 361 E N 1.043 121.270 120.200 0.045 0.000 2.502 361 E HA 0.078 4.428 4.350 -0.000 0.000 0.194 361 E C 1.399 178.025 176.600 0.043 0.000 1.062 361 E CA 0.300 56.727 56.400 0.045 0.000 0.867 361 E CB -0.274 29.446 29.700 0.034 0.000 0.888 361 E HN 0.573 nan 8.360 nan 0.000 0.510 362 N N 0.680 119.405 118.700 0.042 0.000 2.143 362 N HA 0.048 4.787 4.740 -0.000 0.000 0.222 362 N C -0.582 174.966 175.510 0.064 0.000 1.264 362 N CA -0.176 52.899 53.050 0.042 0.000 0.897 362 N CB 0.475 38.974 38.487 0.021 0.000 1.092 362 N HN 0.020 nan 8.380 nan 0.000 0.516 363 N N 1.912 120.667 118.700 0.092 0.000 2.688 363 N HA -0.159 4.581 4.740 -0.000 0.000 0.258 363 N C -1.075 174.519 175.510 0.140 0.000 1.016 363 N CA 1.309 54.457 53.050 0.164 0.000 0.747 363 N CB -0.714 37.889 38.487 0.193 0.000 0.895 363 N HN 0.441 nan 8.380 nan 0.000 0.543 364 K N 0.047 120.446 120.400 -0.003 0.000 2.469 364 K HA 0.479 4.799 4.320 -0.000 0.000 0.254 364 K C -2.416 173.917 176.600 -0.444 0.000 0.939 364 K CA -1.534 54.692 56.287 -0.102 0.000 0.812 364 K CB 2.805 35.273 32.500 -0.054 0.000 1.301 364 K HN -0.101 nan 8.250 nan 0.000 0.433 365 P HA 0.059 nan 4.420 nan 0.000 0.274 365 P C -0.119 176.985 177.300 -0.327 0.000 1.246 365 P CA -0.202 62.486 63.100 -0.687 0.000 0.795 365 P CB 0.731 32.242 31.700 -0.314 0.000 1.006 366 G N 0.174 108.825 108.800 -0.249 0.000 2.580 366 G HA2 0.425 4.384 3.960 -0.000 0.000 0.225 366 G HA3 0.425 4.384 3.960 -0.000 0.000 0.225 366 G C -1.108 173.735 174.900 -0.094 0.000 1.521 366 G CA -0.170 44.849 45.100 -0.135 0.000 1.068 366 G HN 0.514 nan 8.290 nan 0.000 0.564 367 L N -0.921 120.256 121.223 -0.077 0.000 2.464 367 L HA 0.601 4.941 4.340 -0.000 0.000 0.266 367 L C -1.506 175.327 176.870 -0.062 0.000 0.965 367 L CA -0.685 54.120 54.840 -0.059 0.000 0.833 367 L CB 2.058 44.078 42.059 -0.066 0.000 1.296 367 L HN 0.220 nan 8.230 nan 0.000 0.405 368 L N 4.719 125.933 121.223 -0.016 0.000 2.381 368 L HA 0.550 4.890 4.340 -0.000 0.000 0.268 368 L C -0.748 176.144 176.870 0.037 0.000 0.997 368 L CA -0.642 54.197 54.840 -0.001 0.000 0.818 368 L CB 1.629 43.725 42.059 0.062 0.000 1.310 368 L HN 0.560 nan 8.230 nan 0.000 0.416 369 L N 3.365 124.601 121.223 0.022 0.000 2.264 369 L HA 0.524 4.864 4.340 -0.000 0.000 0.289 369 L C -0.524 176.423 176.870 0.127 0.000 1.044 369 L CA -0.146 54.724 54.840 0.049 0.000 0.807 369 L CB 1.435 43.499 42.059 0.008 0.000 1.192 369 L HN 0.318 nan 8.230 nan 0.000 0.425 370 V N 5.791 125.832 119.914 0.211 0.000 2.333 370 V HA 0.404 4.523 4.120 -0.000 0.000 0.274 370 V C 0.025 176.300 176.094 0.301 0.000 1.028 370 V CA -0.714 61.757 62.300 0.285 0.000 0.851 370 V CB 0.891 32.961 31.823 0.411 0.000 1.000 370 V HN 0.662 nan 8.190 nan 0.000 0.456 371 K N 3.621 124.164 120.400 0.237 0.000 2.213 371 K HA 0.772 5.092 4.320 -0.000 0.000 0.270 371 K C 0.276 177.022 176.600 0.244 0.000 1.002 371 K CA -0.305 56.122 56.287 0.233 0.000 0.868 371 K CB 2.207 34.799 32.500 0.154 0.000 1.093 371 K HN 0.864 nan 8.250 nan 0.000 0.454 372 G N 1.304 110.283 108.800 0.298 0.000 2.749 372 G HA2 0.491 4.451 3.960 -0.000 0.000 0.300 372 G HA3 0.491 4.451 3.960 -0.000 0.000 0.300 372 G C -1.790 173.242 174.900 0.219 0.000 1.352 372 G CA -0.663 44.534 45.100 0.163 0.000 0.789 372 G HN 0.793 nan 8.290 nan 0.000 0.509 373 H N -2.355 116.706 119.070 -0.015 0.000 2.930 373 H HA 0.706 5.262 4.556 -0.000 0.000 0.371 373 H C -1.622 173.656 175.328 -0.083 0.000 1.169 373 H CA -1.051 55.013 56.048 0.026 0.000 1.157 373 H CB 1.165 30.974 29.762 0.077 0.000 1.789 373 H HN 0.478 nan 8.280 nan 0.000 0.547 374 Y N 0.357 120.726 120.300 0.115 0.000 2.295 374 Y HA 0.114 4.664 4.550 0.000 0.000 0.331 374 Y C 2.158 178.116 175.900 0.098 0.000 1.311 374 Y CA 0.420 58.548 58.100 0.046 0.000 1.430 374 Y CB 1.044 39.557 38.460 0.088 0.000 1.339 374 Y HN 0.934 nan 8.280 nan 0.000 0.552 375 T N -2.808 111.880 114.554 0.224 0.000 2.788 375 T HA -0.214 4.135 4.350 -0.000 0.000 0.268 375 T C 1.107 175.912 174.700 0.175 0.000 1.044 375 T CA 1.580 63.779 62.100 0.165 0.000 1.139 375 T CB -0.496 68.435 68.868 0.105 0.000 0.867 375 T HN 0.752 nan 8.240 nan 0.000 0.454 376 D N 1.574 122.076 120.400 0.170 0.000 2.178 376 D HA 0.182 4.822 4.640 -0.000 0.000 0.202 376 D C 1.800 178.178 176.300 0.130 0.000 0.974 376 D CA 1.278 55.350 54.000 0.120 0.000 0.841 376 D CB -0.822 40.025 40.800 0.079 0.000 0.953 376 D HN 0.667 nan 8.370 nan 0.000 0.478 377 G N -1.177 107.740 108.800 0.195 0.000 2.485 377 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.181 377 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.181 377 G C 0.179 175.193 174.900 0.190 0.000 0.999 377 G CA -0.297 44.902 45.100 0.165 0.000 0.721 377 G HN 0.195 nan 8.290 nan 0.000 0.486 378 K N 1.141 121.675 120.400 0.224 0.000 2.380 378 K HA 0.275 4.595 4.320 -0.000 0.000 0.267 378 K C 0.326 177.151 176.600 0.375 0.000 0.990 378 K CA 0.155 56.583 56.287 0.236 0.000 0.946 378 K CB 0.557 33.147 32.500 0.151 0.000 0.937 378 K HN 0.108 nan 8.250 nan 0.000 0.491 379 K N 1.764 122.341 120.400 0.295 0.000 2.174 379 K HA 0.259 4.579 4.320 -0.000 0.000 0.275 379 K C -0.274 176.554 176.600 0.380 0.000 1.015 379 K CA -0.464 55.999 56.287 0.294 0.000 0.933 379 K CB 0.566 33.168 32.500 0.170 0.000 1.025 379 K HN 0.409 nan 8.250 nan 0.000 0.463 380 F N 1.329 121.373 119.950 0.156 0.000 2.444 380 F HA 0.273 4.800 4.527 -0.000 0.000 0.342 380 F C -0.370 175.480 175.800 0.082 0.000 1.121 380 F CA -0.544 57.518 58.000 0.102 0.000 0.997 380 F CB 1.381 40.311 39.000 -0.116 0.000 1.130 380 F HN 0.540 nan 8.300 nan 0.000 0.454 381 E N 5.377 125.305 120.200 -0.453 0.000 2.334 381 E HA 0.280 4.630 4.350 -0.000 0.000 0.280 381 E C -1.797 174.534 176.600 -0.448 0.000 0.899 381 E CA -0.407 55.826 56.400 -0.279 0.000 0.813 381 E CB 1.238 30.879 29.700 -0.099 0.000 1.318 381 E HN 0.801 nan 8.360 nan 0.000 0.399 382 E N 3.054 123.055 120.200 -0.332 0.000 2.372 382 E HA 0.216 4.566 4.350 -0.000 0.000 0.279 382 E C -1.325 175.104 176.600 -0.285 0.000 0.946 382 E CA -0.627 55.559 56.400 -0.357 0.000 0.769 382 E CB 1.663 31.074 29.700 -0.481 0.000 1.230 382 E HN 0.449 nan 8.360 nan 0.000 0.442 383 E N 2.275 122.222 120.200 -0.421 0.000 2.259 383 E HA 0.341 4.691 4.350 -0.000 0.000 0.281 383 E C -1.082 175.154 176.600 -0.607 0.000 1.027 383 E CA -0.042 56.160 56.400 -0.331 0.000 0.838 383 E CB 0.883 30.447 29.700 -0.227 0.000 1.066 383 E HN 0.192 nan 8.360 nan 0.000 0.401 384 F N 0.630 120.558 119.950 -0.037 0.000 2.576 384 F HA 0.213 4.740 4.527 -0.000 0.000 0.313 384 F C 1.285 177.048 175.800 -0.063 0.000 1.078 384 F CA -0.650 57.319 58.000 -0.051 0.000 0.921 384 F CB 1.741 40.710 39.000 -0.053 0.000 1.232 384 F HN 0.446 nan 8.300 nan 0.000 0.459 385 E N 0.133 120.402 120.200 0.114 0.000 2.112 385 E HA 0.036 4.386 4.350 -0.000 0.000 0.190 385 E C -0.209 176.402 176.600 0.019 0.000 0.979 385 E CA 0.914 57.327 56.400 0.022 0.000 0.814 385 E CB 0.319 30.009 29.700 -0.017 0.000 0.762 385 E HN 0.468 nan 8.360 nan 0.000 0.460 386 T N 0.597 115.161 114.554 0.016 0.000 2.921 386 T HA 0.371 4.721 4.350 -0.000 0.000 0.297 386 T C -0.875 173.756 174.700 -0.116 0.000 1.013 386 T CA -0.590 61.493 62.100 -0.028 0.000 0.990 386 T CB 2.441 71.266 68.868 -0.072 0.000 1.023 386 T HN -0.243 nan 8.240 nan 0.000 0.447 387 V N 4.636 124.469 119.914 -0.136 0.000 2.357 387 V HA 0.498 4.618 4.120 -0.000 0.000 0.284 387 V C -0.252 175.599 176.094 -0.404 0.000 1.018 387 V CA -0.738 61.362 62.300 -0.334 0.000 0.841 387 V CB 1.038 32.666 31.823 -0.325 0.000 0.991 387 V HN 0.778 nan 8.190 nan 0.000 0.437 388 I N 5.219 125.501 120.570 -0.480 0.000 2.339 388 I HA 0.429 4.599 4.170 -0.000 0.000 0.290 388 I C -0.762 175.055 176.117 -0.501 0.000 0.994 388 I CA -0.267 60.802 61.300 -0.386 0.000 1.191 388 I CB 1.226 39.049 38.000 -0.295 0.000 1.343 388 I HN 0.397 nan 8.210 nan 0.000 0.458 389 F N 5.018 124.859 119.950 -0.182 0.000 2.411 389 F HA 0.490 5.017 4.527 0.000 0.000 0.355 389 F C 0.725 176.391 175.800 -0.225 0.000 1.117 389 F CA -0.364 57.508 58.000 -0.214 0.000 1.139 389 F CB 1.337 40.170 39.000 -0.278 0.000 1.120 389 F HN 0.494 nan 8.300 nan 0.000 0.493 390 A N 2.961 125.758 122.820 -0.039 0.000 3.253 390 A HA 0.476 4.796 4.320 -0.000 0.000 0.290 390 A C 0.343 177.899 177.584 -0.048 0.000 0.950 390 A CA -0.318 51.675 52.037 -0.074 0.000 0.986 390 A CB -0.300 18.631 19.000 -0.114 0.000 1.104 390 A HN 0.696 nan 8.150 nan 0.000 0.481 391 V N -2.327 117.575 119.914 -0.020 0.000 3.514 391 V HA 0.631 4.751 4.120 -0.000 0.000 0.301 391 V C 0.683 176.770 176.094 -0.012 0.000 1.346 391 V CA 0.357 62.653 62.300 -0.006 0.000 1.156 391 V CB -0.998 30.837 31.823 0.020 0.000 1.029 391 V HN 1.687 nan 8.190 nan 0.000 0.428 392 G N 0.261 109.048 108.800 -0.022 0.000 2.354 392 G HA2 0.201 4.161 3.960 -0.000 0.000 0.582 392 G HA3 0.201 4.161 3.960 -0.000 0.000 0.582 392 G C -1.061 173.836 174.900 -0.005 0.000 1.316 392 G CA -0.940 44.158 45.100 -0.002 0.000 0.995 392 G HN 0.436 nan 8.290 nan 0.000 0.573 393 R N 0.093 120.606 120.500 0.021 0.000 2.673 393 R HA 0.586 4.926 4.340 -0.000 0.000 0.281 393 R C -0.655 175.671 176.300 0.043 0.000 0.991 393 R CA -0.778 55.342 56.100 0.033 0.000 0.896 393 R CB 2.294 32.622 30.300 0.048 0.000 1.201 393 R HN 0.841 nan 8.270 nan 0.000 0.457 394 E N 2.771 122.999 120.200 0.047 0.000 2.293 394 E HA 0.523 4.873 4.350 -0.000 0.000 0.270 394 E C -2.753 173.878 176.600 0.052 0.000 0.879 394 E CA -2.385 54.042 56.400 0.046 0.000 0.756 394 E CB 2.624 32.349 29.700 0.041 0.000 1.208 394 E HN 0.152 nan 8.360 nan 0.000 0.428 395 P HA 0.070 nan 4.420 nan 0.000 0.274 395 P C -0.855 176.470 177.300 0.043 0.000 1.231 395 P CA -0.359 62.768 63.100 0.045 0.000 0.790 395 P CB 0.687 32.409 31.700 0.036 0.000 0.951 396 Q N 1.381 121.208 119.800 0.046 0.000 2.773 396 Q HA 0.288 4.628 4.340 -0.000 0.000 0.373 396 Q C 0.742 176.764 176.000 0.037 0.000 0.940 396 Q CA -0.130 55.699 55.803 0.042 0.000 1.015 396 Q CB 0.156 28.925 28.738 0.051 0.000 1.349 396 Q HN 0.367 nan 8.270 nan 0.000 0.413 397 L N -0.368 120.872 121.223 0.029 0.000 2.492 397 L HA -0.066 4.273 4.340 -0.000 0.000 0.223 397 L C 2.097 178.977 176.870 0.016 0.000 1.132 397 L CA 0.717 55.571 54.840 0.023 0.000 0.850 397 L CB 0.069 42.138 42.059 0.018 0.000 0.966 397 L HN 0.439 nan 8.230 nan 0.000 0.454 398 S N -0.297 115.413 115.700 0.015 0.000 2.399 398 S HA -0.188 4.282 4.470 -0.000 0.000 0.231 398 S C 1.823 176.430 174.600 0.011 0.000 1.022 398 S CA 0.830 59.036 58.200 0.010 0.000 0.983 398 S CB -0.245 62.960 63.200 0.009 0.000 0.803 398 S HN 0.430 nan 8.310 nan 0.000 0.480 399 K N 0.679 121.089 120.400 0.018 0.000 2.228 399 K HA 0.144 4.463 4.320 -0.000 0.000 0.202 399 K C 1.704 178.314 176.600 0.017 0.000 1.051 399 K CA 0.979 57.277 56.287 0.019 0.000 0.960 399 K CB -0.135 32.385 32.500 0.033 0.000 0.743 399 K HN 0.300 nan 8.250 nan 0.000 0.458 400 V N 0.532 120.458 119.914 0.020 0.000 3.125 400 V HA 0.064 4.184 4.120 -0.000 0.000 0.249 400 V C 0.165 176.264 176.094 0.009 0.000 1.113 400 V CA 0.393 62.705 62.300 0.019 0.000 1.106 400 V CB 0.133 31.973 31.823 0.029 0.000 0.768 400 V HN 0.120 nan 8.190 nan 0.000 0.468 401 L N 0.121 121.347 121.223 0.006 0.000 2.404 401 L HA 0.521 4.861 4.340 -0.000 0.000 0.272 401 L C -0.494 176.375 176.870 -0.003 0.000 0.980 401 L CA -0.199 54.640 54.840 -0.001 0.000 0.836 401 L CB 1.259 43.317 42.059 -0.001 0.000 1.238 401 L HN 0.097 nan 8.230 nan 0.000 0.408 402 C N 2.986 122.282 119.300 -0.006 0.000 2.637 402 C HA 0.105 4.565 4.460 -0.000 0.000 0.418 402 C C 1.943 176.928 174.990 -0.009 0.000 1.319 402 C CA -0.381 58.633 59.018 -0.006 0.000 1.949 402 C CB 0.071 27.808 27.740 -0.006 0.000 2.639 402 C HN 0.882 nan 8.230 nan 0.000 0.594 403 E N 0.720 120.915 120.200 -0.007 0.000 2.204 403 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 403 E C 1.972 178.566 176.600 -0.010 0.000 0.990 403 E CA 1.760 58.155 56.400 -0.008 0.000 0.821 403 E CB -0.012 29.684 29.700 -0.006 0.000 0.750 403 E HN 0.970 nan 8.360 nan 0.000 0.477 404 T N -1.585 112.963 114.554 -0.009 0.000 2.995 404 T HA -0.054 4.295 4.350 -0.000 0.000 0.269 404 T C 2.021 176.713 174.700 -0.013 0.000 1.091 404 T CA 0.594 62.688 62.100 -0.009 0.000 1.128 404 T CB -0.252 68.613 68.868 -0.005 0.000 0.891 404 T HN -0.054 nan 8.240 nan 0.000 0.492 405 V N 1.456 121.360 119.914 -0.018 0.000 2.407 405 V HA 0.177 4.296 4.120 -0.000 0.000 0.248 405 V C 2.384 178.457 176.094 -0.035 0.000 1.055 405 V CA 1.480 63.763 62.300 -0.028 0.000 1.049 405 V CB -1.484 30.319 31.823 -0.033 0.000 0.662 405 V HN 0.854 nan 8.190 nan 0.000 0.455 406 G N -0.425 108.357 108.800 -0.030 0.000 2.134 406 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.209 406 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.209 406 G C 0.036 174.912 174.900 -0.040 0.000 0.993 406 G CA -0.064 45.017 45.100 -0.032 0.000 0.669 406 G HN 0.445 nan 8.290 nan 0.000 0.519 407 V N 1.569 121.459 119.914 -0.040 0.000 2.405 407 V HA 0.288 4.408 4.120 -0.000 0.000 0.264 407 V C 1.062 177.136 176.094 -0.033 0.000 1.048 407 V CA -0.112 62.161 62.300 -0.044 0.000 0.966 407 V CB 1.302 33.099 31.823 -0.043 0.000 1.015 407 V HN 0.397 nan 8.190 nan 0.000 0.477 408 K N 5.532 125.911 120.400 -0.035 0.000 2.322 408 K HA 0.471 4.791 4.320 -0.000 0.000 0.283 408 K C -0.891 175.695 176.600 -0.023 0.000 1.042 408 K CA -0.331 55.939 56.287 -0.027 0.000 0.958 408 K CB 0.477 32.960 32.500 -0.028 0.000 0.984 408 K HN 0.585 nan 8.250 nan 0.000 0.473 409 L N 3.454 124.667 121.223 -0.017 0.000 2.342 409 L HA 0.318 4.658 4.340 -0.000 0.000 0.271 409 L C 0.175 177.037 176.870 -0.012 0.000 1.008 409 L CA -1.243 53.589 54.840 -0.013 0.000 0.818 409 L CB 1.600 43.654 42.059 -0.008 0.000 1.296 409 L HN 0.806 nan 8.230 nan 0.000 0.427 410 D N 1.049 121.442 120.400 -0.012 0.000 2.440 410 D HA 0.035 4.675 4.640 -0.000 0.000 0.269 410 D C 0.719 177.015 176.300 -0.006 0.000 1.249 410 D CA -0.455 53.538 54.000 -0.011 0.000 1.055 410 D CB 0.658 41.449 40.800 -0.014 0.000 1.104 410 D HN 0.291 nan 8.370 nan 0.000 0.561 411 K N -0.561 119.836 120.400 -0.005 0.000 2.209 411 K HA -0.111 4.208 4.320 -0.000 0.000 0.204 411 K C 0.795 177.396 176.600 0.002 0.000 1.048 411 K CA 0.909 57.195 56.287 -0.002 0.000 0.940 411 K CB -0.440 32.059 32.500 -0.002 0.000 0.729 411 K HN 0.472 nan 8.250 nan 0.000 0.451 412 N N -0.841 117.860 118.700 0.002 0.000 2.322 412 N HA 0.060 4.800 4.740 -0.000 0.000 0.194 412 N C 0.486 176.001 175.510 0.009 0.000 1.126 412 N CA 0.384 53.438 53.050 0.007 0.000 0.845 412 N CB 0.737 39.229 38.487 0.008 0.000 0.976 412 N HN 0.262 nan 8.380 nan 0.000 0.475 413 G N 1.214 110.018 108.800 0.005 0.000 2.143 413 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.248 413 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.248 413 G C -0.002 174.902 174.900 0.007 0.000 0.991 413 G CA -0.146 44.958 45.100 0.007 0.000 0.689 413 G HN 0.290 nan 8.290 nan 0.000 0.522 414 R N -0.632 119.869 120.500 0.002 0.000 2.486 414 R HA 0.542 4.882 4.340 -0.000 0.000 0.286 414 R C 0.406 176.700 176.300 -0.009 0.000 0.999 414 R CA -0.829 55.271 56.100 -0.001 0.000 0.993 414 R CB 1.717 32.015 30.300 -0.004 0.000 1.084 414 R HN 0.065 nan 8.270 nan 0.000 0.487 415 V N 3.367 123.276 119.914 -0.009 0.000 2.479 415 V HA 0.010 4.130 4.120 -0.000 0.000 0.281 415 V C 0.384 176.462 176.094 -0.026 0.000 1.031 415 V CA -0.182 62.108 62.300 -0.016 0.000 1.038 415 V CB 0.981 32.798 31.823 -0.010 0.000 0.981 415 V HN 0.441 nan 8.190 nan 0.000 0.478 416 V N 5.541 125.437 119.914 -0.030 0.000 2.470 416 V HA 0.143 4.263 4.120 -0.000 0.000 0.276 416 V C 0.352 176.423 176.094 -0.039 0.000 1.040 416 V CA -0.002 62.277 62.300 -0.035 0.000 1.008 416 V CB 0.476 32.280 31.823 -0.032 0.000 0.990 416 V HN 1.043 nan 8.190 nan 0.000 0.477 417 C N 3.773 123.048 119.300 -0.041 0.000 2.667 417 C HA 0.742 5.202 4.460 -0.000 0.000 0.323 417 C C 0.953 175.929 174.990 -0.022 0.000 1.214 417 C CA -0.607 58.392 59.018 -0.031 0.000 1.721 417 C CB 1.907 29.637 27.740 -0.017 0.000 2.275 417 C HN 0.964 nan 8.230 nan 0.000 0.491 418 T N -1.236 113.315 114.554 -0.004 0.000 2.771 418 T HA 0.184 4.534 4.350 -0.000 0.000 0.290 418 T C 0.832 175.561 174.700 0.049 0.000 1.005 418 T CA 0.181 62.291 62.100 0.017 0.000 0.944 418 T CB 0.348 69.230 68.868 0.022 0.000 1.147 418 T HN 0.767 nan 8.240 nan 0.000 0.534 419 D N -0.420 120.021 120.400 0.068 0.000 2.378 419 D HA -0.067 4.573 4.640 -0.000 0.000 0.227 419 D C 0.720 177.112 176.300 0.154 0.000 1.012 419 D CA 0.343 54.410 54.000 0.111 0.000 0.905 419 D CB -0.351 40.508 40.800 0.098 0.000 0.895 419 D HN 0.745 nan 8.370 nan 0.000 0.532 420 D N -0.068 120.419 120.400 0.145 0.000 2.538 420 D HA 0.074 4.714 4.640 -0.000 0.000 0.231 420 D C -0.102 176.345 176.300 0.245 0.000 1.229 420 D CA -0.447 53.658 54.000 0.175 0.000 0.828 420 D CB -0.055 40.839 40.800 0.156 0.000 1.035 420 D HN -0.054 nan 8.370 nan 0.000 0.495 421 E N -0.726 119.603 120.200 0.216 0.000 3.286 421 E HA -0.255 4.095 4.350 -0.000 0.000 0.292 421 E C -0.120 176.635 176.600 0.258 0.000 0.928 421 E CA 0.721 57.264 56.400 0.237 0.000 0.982 421 E CB -1.911 27.948 29.700 0.264 0.000 1.500 421 E HN 0.599 nan 8.360 nan 0.000 0.441 422 Q N 1.092 120.961 119.800 0.115 0.000 2.288 422 Q HA 0.268 4.608 4.340 -0.000 0.000 0.258 422 Q C 0.551 176.433 176.000 -0.197 0.000 0.957 422 Q CA 0.429 56.077 55.803 -0.260 0.000 0.919 422 Q CB 0.730 29.322 28.738 -0.243 0.000 1.185 422 Q HN 0.326 nan 8.270 nan 0.000 0.408 423 T N -0.230 114.162 114.554 -0.271 0.000 2.729 423 T HA 0.064 4.414 4.350 -0.000 0.000 0.298 423 T C 1.339 175.948 174.700 -0.151 0.000 1.013 423 T CA 0.098 62.101 62.100 -0.161 0.000 0.957 423 T CB 0.567 69.350 68.868 -0.141 0.000 1.130 423 T HN 0.740 nan 8.240 nan 0.000 0.526 424 T N -1.945 112.546 114.554 -0.104 0.000 3.072 424 T HA 0.097 4.447 4.350 -0.000 0.000 0.266 424 T C 0.703 175.345 174.700 -0.097 0.000 1.127 424 T CA 0.015 62.064 62.100 -0.086 0.000 1.107 424 T CB -0.475 68.358 68.868 -0.059 0.000 0.910 424 T HN 0.438 nan 8.240 nan 0.000 0.513 425 V N 2.226 122.065 119.914 -0.125 0.000 2.407 425 V HA 0.276 4.395 4.120 -0.000 0.000 0.278 425 V C 1.230 177.206 176.094 -0.197 0.000 1.037 425 V CA -0.506 61.712 62.300 -0.138 0.000 0.900 425 V CB 1.394 33.137 31.823 -0.134 0.000 0.983 425 V HN 0.308 nan 8.190 nan 0.000 0.459 426 S N 3.349 118.952 115.700 -0.161 0.000 2.399 426 S HA -0.153 4.317 4.470 -0.000 0.000 0.231 426 S C 1.687 176.157 174.600 -0.217 0.000 1.022 426 S CA 1.772 59.870 58.200 -0.170 0.000 0.983 426 S CB -0.243 62.915 63.200 -0.070 0.000 0.803 426 S HN 0.981 nan 8.310 nan 0.000 0.480 427 N N 0.897 119.505 118.700 -0.153 0.000 2.336 427 N HA 0.013 4.753 4.740 -0.000 0.000 0.189 427 N C -0.164 175.314 175.510 -0.053 0.000 1.113 427 N CA 0.136 53.164 53.050 -0.036 0.000 0.858 427 N CB 0.126 38.613 38.487 -0.001 0.000 0.970 427 N HN 0.182 nan 8.380 nan 0.000 0.471 428 V N 1.601 121.367 119.914 -0.247 0.000 2.435 428 V HA 0.391 4.511 4.120 -0.000 0.000 0.290 428 V C -0.984 174.902 176.094 -0.347 0.000 1.030 428 V CA -0.629 61.574 62.300 -0.161 0.000 0.881 428 V CB 0.660 32.402 31.823 -0.134 0.000 0.983 428 V HN 0.050 nan 8.190 nan 0.000 0.445 429 Y N 1.855 122.149 120.300 -0.009 0.000 2.570 429 Y HA 0.815 5.365 4.550 -0.001 0.000 0.345 429 Y C 0.211 176.117 175.900 0.010 0.000 1.014 429 Y CA -0.840 57.263 58.100 0.004 0.000 1.063 429 Y CB 2.320 40.788 38.460 0.013 0.000 1.272 429 Y HN 0.693 nan 8.280 nan 0.000 0.477 430 A N 2.843 125.764 122.820 0.169 0.000 2.398 430 A HA 0.870 5.190 4.320 -0.000 0.000 0.301 430 A C -1.163 176.484 177.584 0.105 0.000 1.041 430 A CA -0.591 51.507 52.037 0.102 0.000 0.711 430 A CB 0.727 19.756 19.000 0.047 0.000 1.240 430 A HN 0.731 nan 8.150 nan 0.000 0.420 431 I N -0.774 119.850 120.570 0.090 0.000 3.145 431 I HA 0.961 5.131 4.170 -0.000 0.000 0.313 431 I C 0.552 176.710 176.117 0.069 0.000 1.122 431 I CA -0.361 60.994 61.300 0.091 0.000 0.987 431 I CB 1.978 40.036 38.000 0.096 0.000 1.236 431 I HN 1.762 nan 8.210 nan 0.000 0.453 432 G N 2.603 111.449 108.800 0.076 0.000 2.512 432 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.240 432 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.240 432 G C 0.017 174.948 174.900 0.052 0.000 1.246 432 G CA 0.546 45.684 45.100 0.064 0.000 0.919 432 G HN 0.790 nan 8.290 nan 0.000 0.577 433 D N 0.513 120.945 120.400 0.053 0.000 2.218 433 D HA -0.065 4.575 4.640 -0.000 0.000 0.204 433 D C 2.470 178.791 176.300 0.036 0.000 0.976 433 D CA 1.570 55.601 54.000 0.051 0.000 0.853 433 D CB -0.227 40.613 40.800 0.066 0.000 0.939 433 D HN 0.728 nan 8.370 nan 0.000 0.481 434 I N -2.365 118.225 120.570 0.034 0.000 3.428 434 I HA 0.043 4.213 4.170 -0.000 0.000 0.286 434 I C 0.597 176.718 176.117 0.006 0.000 1.287 434 I CA -0.009 61.305 61.300 0.024 0.000 1.396 434 I CB -0.179 37.839 38.000 0.030 0.000 1.062 434 I HN -0.264 nan 8.210 nan 0.000 0.471 435 N N 3.223 121.920 118.700 -0.005 0.000 2.402 435 N HA 0.269 5.009 4.740 -0.000 0.000 0.252 435 N C -0.019 175.448 175.510 -0.072 0.000 1.118 435 N CA 0.153 53.180 53.050 -0.038 0.000 0.945 435 N CB 1.103 39.560 38.487 -0.050 0.000 1.147 435 N HN 0.393 nan 8.380 nan 0.000 0.495 436 A N 2.448 125.230 122.820 -0.063 0.000 2.565 436 A HA 0.359 4.679 4.320 -0.000 0.000 0.237 436 A C 1.482 179.007 177.584 -0.098 0.000 1.053 436 A CA 0.722 52.722 52.037 -0.063 0.000 0.755 436 A CB -0.437 18.534 19.000 -0.048 0.000 0.980 436 A HN 1.080 nan 8.150 nan 0.000 0.506 437 G N 1.272 110.025 108.800 -0.079 0.000 2.189 437 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.267 437 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.267 437 G C 0.281 175.105 174.900 -0.127 0.000 0.975 437 G CA 0.861 45.908 45.100 -0.090 0.000 0.644 437 G HN 0.792 nan 8.290 nan 0.000 0.537 438 K N 0.846 121.149 120.400 -0.162 0.000 2.143 438 K HA 0.505 4.825 4.320 -0.000 0.000 0.272 438 K C -2.357 174.207 176.600 -0.061 0.000 1.001 438 K CA -2.368 53.799 56.287 -0.201 0.000 0.915 438 K CB 0.610 32.900 32.500 -0.351 0.000 1.047 438 K HN 0.015 nan 8.250 nan 0.000 0.458 439 P HA -0.004 nan 4.420 nan 0.000 0.262 439 P C -0.667 176.656 177.300 0.038 0.000 1.182 439 P CA 0.251 63.359 63.100 0.015 0.000 0.761 439 P CB 0.295 32.015 31.700 0.033 0.000 0.795 440 Q N 2.846 122.671 119.800 0.042 0.000 2.681 440 Q HA 0.372 4.712 4.340 -0.000 0.000 0.222 440 Q C -0.483 175.566 176.000 0.082 0.000 1.258 440 Q CA -0.063 55.783 55.803 0.072 0.000 1.014 440 Q CB -0.036 28.762 28.738 0.100 0.000 1.384 440 Q HN 0.428 nan 8.270 nan 0.000 0.570 441 L N -0.710 120.551 121.223 0.065 0.000 2.424 441 L HA 0.372 4.712 4.340 -0.000 0.000 0.258 441 L C 1.114 178.015 176.870 0.051 0.000 0.995 441 L CA -0.660 54.212 54.840 0.055 0.000 0.821 441 L CB 1.988 44.061 42.059 0.024 0.000 1.383 441 L HN 0.236 nan 8.230 nan 0.000 0.410 442 T N 0.564 115.147 114.554 0.048 0.000 2.622 442 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 442 T C -1.186 173.526 174.700 0.020 0.000 1.047 442 T CA 1.900 64.021 62.100 0.035 0.000 1.159 442 T CB -0.668 68.220 68.868 0.034 0.000 0.863 442 T HN 0.487 nan 8.240 nan 0.000 0.422 443 P HA 0.057 nan 4.420 nan 0.000 0.221 443 P C 1.517 178.795 177.300 -0.038 0.000 1.150 443 P CA 0.402 63.494 63.100 -0.012 0.000 0.800 443 P CB -0.190 31.501 31.700 -0.016 0.000 0.787 444 V N 0.542 120.447 119.914 -0.016 0.000 2.295 444 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 444 V C 2.521 178.624 176.094 0.016 0.000 1.049 444 V CA 2.277 64.573 62.300 -0.008 0.000 1.024 444 V CB -1.737 30.131 31.823 0.077 0.000 0.648 444 V HN 0.109 nan 8.190 nan 0.000 0.447 445 A N -0.233 122.610 122.820 0.038 0.000 1.933 445 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 445 A C 2.187 179.781 177.584 0.016 0.000 1.175 445 A CA 1.856 53.919 52.037 0.043 0.000 0.628 445 A CB -0.511 18.513 19.000 0.040 0.000 0.814 445 A HN 0.520 nan 8.150 nan 0.000 0.444 446 I N -1.208 119.360 120.570 -0.003 0.000 2.163 446 I HA -0.265 3.905 4.170 -0.000 0.000 0.240 446 I C 2.786 178.886 176.117 -0.028 0.000 1.081 446 I CA 1.787 63.085 61.300 -0.004 0.000 1.353 446 I CB -0.365 37.636 38.000 0.001 0.000 1.054 446 I HN 0.427 nan 8.210 nan 0.000 0.407 447 Q N 1.107 120.837 119.800 -0.117 0.000 2.061 447 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 447 Q C 2.217 178.045 176.000 -0.286 0.000 0.984 447 Q CA 2.370 57.986 55.803 -0.313 0.000 0.846 447 Q CB -0.238 28.208 28.738 -0.488 0.000 0.902 447 Q HN 0.502 nan 8.270 nan 0.000 0.421 448 A N 0.039 122.762 122.820 -0.161 0.000 1.859 448 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 448 A C 2.314 179.927 177.584 0.049 0.000 1.198 448 A CA 1.963 53.982 52.037 -0.029 0.000 0.629 448 A CB -1.704 17.355 19.000 0.098 0.000 0.830 448 A HN 0.601 nan 8.150 nan 0.000 0.446 449 G N -0.963 107.869 108.800 0.052 0.000 2.446 449 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 449 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 449 G C 1.789 176.754 174.900 0.108 0.000 1.168 449 G CA 1.008 46.150 45.100 0.071 0.000 0.771 449 G HN 0.563 nan 8.290 nan 0.000 0.551 450 R N -1.028 119.556 120.500 0.140 0.000 2.073 450 R HA -0.076 4.264 4.340 -0.000 0.000 0.234 450 R C 2.429 178.897 176.300 0.280 0.000 1.134 450 R CA 1.482 57.708 56.100 0.211 0.000 0.952 450 R CB -0.493 29.955 30.300 0.247 0.000 0.850 450 R HN 0.411 nan 8.270 nan 0.000 0.433 451 Y N 0.582 120.890 120.300 0.014 0.000 2.200 451 Y HA -0.179 4.370 4.550 -0.000 0.000 0.290 451 Y C 2.123 178.010 175.900 -0.022 0.000 1.137 451 Y CA 0.655 58.753 58.100 -0.004 0.000 1.163 451 Y CB -0.713 37.731 38.460 -0.026 0.000 0.988 451 Y HN 0.045 nan 8.280 nan 0.000 0.518 452 L N 0.298 121.600 121.223 0.132 0.000 2.012 452 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 452 L C 2.358 179.190 176.870 -0.064 0.000 1.073 452 L CA 2.140 56.968 54.840 -0.020 0.000 0.748 452 L CB -1.171 40.854 42.059 -0.056 0.000 0.891 452 L HN 0.116 nan 8.230 nan 0.000 0.431 453 A N -0.536 122.320 122.820 0.059 0.000 1.933 453 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 453 A C 2.413 180.102 177.584 0.174 0.000 1.175 453 A CA 1.824 53.973 52.037 0.186 0.000 0.628 453 A CB -0.549 18.609 19.000 0.263 0.000 0.814 453 A HN 0.538 nan 8.150 nan 0.000 0.444 454 R N -0.811 119.737 120.500 0.081 0.000 2.092 454 R HA -0.040 4.300 4.340 -0.000 0.000 0.231 454 R C 2.447 178.637 176.300 -0.183 0.000 1.119 454 R CA 1.370 57.419 56.100 -0.085 0.000 0.970 454 R CB -0.240 29.995 30.300 -0.108 0.000 0.864 454 R HN 0.496 nan 8.270 nan 0.000 0.440 455 R N 0.414 120.828 120.500 -0.144 0.000 2.075 455 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 455 R C 2.326 178.462 176.300 -0.274 0.000 1.126 455 R CA 1.061 57.063 56.100 -0.163 0.000 0.963 455 R CB -0.340 29.893 30.300 -0.112 0.000 0.858 455 R HN 0.186 nan 8.270 nan 0.000 0.435 456 L N -0.645 120.333 121.223 -0.408 0.000 2.056 456 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 456 L C 1.351 177.734 176.870 -0.811 0.000 1.078 456 L CA 1.412 55.795 54.840 -0.762 0.000 0.749 456 L CB -0.048 41.272 42.059 -1.233 0.000 0.901 456 L HN 0.124 nan 8.230 nan 0.000 0.433 457 F N -2.217 117.658 119.950 -0.125 0.000 2.746 457 F HA 0.344 4.870 4.527 -0.001 0.000 0.320 457 F C 1.372 177.008 175.800 -0.273 0.000 1.097 457 F CA 0.202 58.138 58.000 -0.106 0.000 1.195 457 F CB 0.088 39.118 39.000 0.050 0.000 1.056 457 F HN -0.130 nan 8.300 nan 0.000 0.562 458 A N -0.473 122.141 122.820 -0.344 0.000 2.585 458 A HA 0.576 4.896 4.320 -0.000 0.000 0.266 458 A C 1.698 179.095 177.584 -0.311 0.000 1.178 458 A CA 0.366 52.072 52.037 -0.553 0.000 0.966 458 A CB -0.554 17.695 19.000 -1.252 0.000 1.170 458 A HN 0.493 nan 8.150 nan 0.000 0.558 459 G N -0.526 108.128 108.800 -0.243 0.000 2.179 459 G HA2 0.052 4.012 3.960 -0.000 0.000 0.257 459 G HA3 0.052 4.012 3.960 -0.000 0.000 0.257 459 G C 0.578 175.557 174.900 0.132 0.000 1.010 459 G CA 0.568 45.581 45.100 -0.144 0.000 0.736 459 G HN 1.688 nan 8.290 nan 0.000 0.513 460 A N -0.746 122.066 122.820 -0.013 0.000 2.346 460 A HA 0.758 5.078 4.320 -0.000 0.000 0.252 460 A C 1.518 179.147 177.584 0.075 0.000 1.089 460 A CA 1.272 53.316 52.037 0.013 0.000 0.797 460 A CB 0.459 19.388 19.000 -0.117 0.000 1.047 460 A HN 1.433 nan 8.150 nan 0.000 0.494 461 T N -1.920 112.670 114.554 0.059 0.000 2.959 461 T HA 0.200 4.550 4.350 -0.000 0.000 0.254 461 T C 0.467 175.188 174.700 0.035 0.000 1.003 461 T CA 0.283 62.428 62.100 0.075 0.000 0.950 461 T CB -0.255 68.658 68.868 0.075 0.000 1.090 461 T HN 0.702 nan 8.240 nan 0.000 0.503 462 E N 1.713 121.909 120.200 -0.007 0.000 2.351 462 E HA 0.285 4.635 4.350 -0.000 0.000 0.266 462 E C -0.604 176.066 176.600 0.117 0.000 1.031 462 E CA -0.229 56.184 56.400 0.022 0.000 0.911 462 E CB 0.322 29.986 29.700 -0.060 0.000 0.986 462 E HN 0.451 nan 8.360 nan 0.000 0.446 463 L N 3.048 124.347 121.223 0.127 0.000 2.399 463 L HA 0.283 4.623 4.340 -0.000 0.000 0.265 463 L C 0.605 177.540 176.870 0.109 0.000 1.089 463 L CA -0.806 54.112 54.840 0.130 0.000 0.802 463 L CB 1.367 43.481 42.059 0.092 0.000 1.180 463 L HN 0.461 nan 8.230 nan 0.000 0.454 464 T N 0.299 114.832 114.554 -0.035 0.000 2.851 464 T HA 0.057 4.407 4.350 -0.000 0.000 0.298 464 T C -0.326 174.120 174.700 -0.424 0.000 0.977 464 T CA -0.165 61.715 62.100 -0.367 0.000 1.126 464 T CB 0.495 68.994 68.868 -0.616 0.000 0.916 464 T HN 0.395 nan 8.240 nan 0.000 0.529 465 D N 1.784 121.961 120.400 -0.372 0.000 2.313 465 D HA 0.167 4.807 4.640 -0.000 0.000 0.239 465 D C -0.216 175.891 176.300 -0.321 0.000 1.142 465 D CA -0.359 53.502 54.000 -0.233 0.000 0.847 465 D CB 0.546 41.278 40.800 -0.113 0.000 1.082 465 D HN 0.521 nan 8.370 nan 0.000 0.480 466 Y N 1.013 121.293 120.300 -0.033 0.000 2.458 466 Y HA 0.089 4.639 4.550 -0.000 0.000 0.256 466 Y C 1.297 177.176 175.900 -0.035 0.000 1.159 466 Y CA -0.302 57.775 58.100 -0.038 0.000 1.261 466 Y CB 0.182 38.625 38.460 -0.029 0.000 1.119 466 Y HN 0.242 nan 8.280 nan 0.000 0.524 467 S N -0.268 115.483 115.700 0.085 0.000 2.584 467 S HA 0.169 4.638 4.470 -0.000 0.000 0.273 467 S C 0.344 174.950 174.600 0.010 0.000 1.311 467 S CA -0.460 57.767 58.200 0.046 0.000 1.034 467 S CB 0.489 63.713 63.200 0.040 0.000 0.939 467 S HN 0.559 nan 8.310 nan 0.000 0.513 468 N N -0.912 117.789 118.700 0.000 0.000 2.708 468 N HA -0.136 4.604 4.740 -0.000 0.000 0.249 468 N C -0.742 174.746 175.510 -0.036 0.000 1.097 468 N CA 0.530 53.568 53.050 -0.020 0.000 0.710 468 N CB -1.482 36.997 38.487 -0.015 0.000 1.032 468 N HN 0.498 nan 8.380 nan 0.000 0.551 469 V N 0.702 120.596 119.914 -0.033 0.000 2.485 469 V HA 0.316 4.436 4.120 -0.000 0.000 0.287 469 V C 1.109 177.164 176.094 -0.065 0.000 1.022 469 V CA 0.111 62.385 62.300 -0.044 0.000 1.067 469 V CB 0.745 32.554 31.823 -0.023 0.000 0.967 469 V HN 0.359 nan 8.190 nan 0.000 0.479 470 A N 5.043 127.822 122.820 -0.068 0.000 2.371 470 A HA 0.663 4.983 4.320 -0.000 0.000 0.257 470 A C 0.578 178.106 177.584 -0.094 0.000 1.089 470 A CA 0.075 52.060 52.037 -0.087 0.000 0.794 470 A CB 0.365 19.322 19.000 -0.073 0.000 1.029 470 A HN 0.995 nan 8.150 nan 0.000 0.488 471 T N -1.295 113.182 114.554 -0.128 0.000 2.916 471 T HA 0.785 5.135 4.350 -0.000 0.000 0.292 471 T C -0.495 174.068 174.700 -0.228 0.000 1.055 471 T CA -0.609 61.409 62.100 -0.138 0.000 1.009 471 T CB 1.795 70.616 68.868 -0.078 0.000 1.118 471 T HN 0.532 nan 8.240 nan 0.000 0.497 472 T N 1.546 115.919 114.554 -0.301 0.000 3.031 472 T HA 0.445 4.795 4.350 -0.000 0.000 0.305 472 T C -0.535 173.764 174.700 -0.668 0.000 0.985 472 T CA -0.585 61.186 62.100 -0.548 0.000 1.008 472 T CB 1.284 69.721 68.868 -0.718 0.000 1.005 472 T HN 0.676 nan 8.240 nan 0.000 0.444 473 V N 4.407 124.015 119.914 -0.509 0.000 2.427 473 V HA 0.267 4.387 4.120 -0.000 0.000 0.268 473 V C -0.071 175.821 176.094 -0.337 0.000 1.046 473 V CA -0.317 61.795 62.300 -0.313 0.000 0.970 473 V CB -0.264 31.446 31.823 -0.188 0.000 1.001 473 V HN 0.836 nan 8.190 nan 0.000 0.476 474 F N 3.630 123.539 119.950 -0.068 0.000 2.733 474 F HA 0.180 4.707 4.527 -0.000 0.000 0.344 474 F C 1.552 177.218 175.800 -0.223 0.000 1.179 474 F CA -0.475 57.361 58.000 -0.273 0.000 1.316 474 F CB -0.546 38.197 39.000 -0.428 0.000 1.577 474 F HN 0.557 nan 8.300 nan 0.000 0.591 475 T N -2.367 112.234 114.554 0.078 0.000 2.788 475 T HA 0.160 4.509 4.350 -0.000 0.000 0.287 475 T C -1.473 173.395 174.700 0.280 0.000 1.007 475 T CA -1.705 60.504 62.100 0.181 0.000 1.005 475 T CB 0.956 69.911 68.868 0.145 0.000 1.012 475 T HN -0.048 nan 8.240 nan 0.000 0.530 476 P HA -0.087 nan 4.420 nan 0.000 0.217 476 P C 0.281 177.649 177.300 0.115 0.000 1.158 476 P CA 0.826 64.109 63.100 0.306 0.000 0.887 476 P CB -0.037 31.892 31.700 0.382 0.000 0.792 477 L N 0.064 121.209 121.223 -0.130 0.000 2.265 477 L HA 0.215 4.555 4.340 -0.000 0.000 0.289 477 L C 0.075 176.914 176.870 -0.051 0.000 1.033 477 L CA -0.602 54.062 54.840 -0.293 0.000 0.814 477 L CB 0.350 41.893 42.059 -0.859 0.000 1.203 477 L HN -0.114 nan 8.230 nan 0.000 0.423 478 E N 3.520 123.742 120.200 0.036 0.000 2.392 478 E HA 0.049 4.398 4.350 -0.000 0.000 0.264 478 E C -1.446 175.196 176.600 0.071 0.000 1.024 478 E CA 0.104 56.520 56.400 0.026 0.000 0.903 478 E CB 0.743 30.459 29.700 0.027 0.000 0.963 478 E HN 0.437 nan 8.360 nan 0.000 0.432 479 Y N 1.274 121.502 120.300 -0.121 0.000 2.338 479 Y HA 0.466 5.016 4.550 -0.000 0.000 0.328 479 Y C -0.384 175.473 175.900 -0.071 0.000 0.965 479 Y CA -1.160 56.909 58.100 -0.052 0.000 1.208 479 Y CB 1.123 39.563 38.460 -0.034 0.000 1.132 479 Y HN 0.481 nan 8.280 nan 0.000 0.469 480 G N 3.858 112.554 108.800 -0.175 0.000 2.372 480 G HA2 0.702 4.662 3.960 -0.000 0.000 0.323 480 G HA3 0.702 4.662 3.960 -0.000 0.000 0.323 480 G C -1.433 173.268 174.900 -0.331 0.000 1.152 480 G CA -0.367 44.558 45.100 -0.292 0.000 0.906 480 G HN 0.951 nan 8.290 nan 0.000 0.460 481 A N 0.626 123.204 122.820 -0.405 0.000 2.454 481 A HA 0.756 5.076 4.320 -0.000 0.000 0.302 481 A C -0.880 176.551 177.584 -0.255 0.000 1.079 481 A CA -0.697 51.143 52.037 -0.329 0.000 0.731 481 A CB 1.883 20.732 19.000 -0.252 0.000 1.299 481 A HN 1.552 nan 8.150 nan 0.000 0.413 482 C N 1.478 120.599 119.300 -0.298 0.000 2.789 482 C HA 0.758 5.218 4.460 -0.000 0.000 0.367 482 C C 0.439 175.314 174.990 -0.191 0.000 1.062 482 C CA 1.095 59.996 59.018 -0.194 0.000 1.297 482 C CB -0.138 27.522 27.740 -0.134 0.000 1.794 482 C HN 2.760 nan 8.230 nan 0.000 0.474 483 G N 4.715 113.441 108.800 -0.122 0.000 2.378 483 G HA2 0.021 3.981 3.960 -0.000 0.000 0.198 483 G HA3 0.021 3.981 3.960 -0.000 0.000 0.198 483 G C -1.227 173.671 174.900 -0.002 0.000 1.223 483 G CA -0.420 44.645 45.100 -0.058 0.000 1.088 483 G HN 0.973 nan 8.290 nan 0.000 0.530 484 L N 1.438 122.698 121.223 0.062 0.000 2.395 484 L HA 0.534 4.873 4.340 -0.000 0.000 0.269 484 L C 1.613 178.629 176.870 0.244 0.000 1.133 484 L CA -0.099 54.810 54.840 0.115 0.000 0.812 484 L CB 1.402 43.529 42.059 0.113 0.000 1.125 484 L HN 0.950 nan 8.230 nan 0.000 0.452 485 S N 0.322 116.144 115.700 0.203 0.000 2.596 485 S HA 0.028 4.498 4.470 -0.000 0.000 0.260 485 S C 0.852 175.501 174.600 0.082 0.000 1.336 485 S CA -0.406 57.886 58.200 0.155 0.000 0.993 485 S CB 1.159 64.410 63.200 0.085 0.000 0.923 485 S HN 0.769 nan 8.310 nan 0.000 0.567 486 E N 0.923 121.116 120.200 -0.013 0.000 2.051 486 E HA -0.204 4.145 4.350 -0.000 0.000 0.192 486 E C 2.097 178.704 176.600 0.011 0.000 0.991 486 E CA 1.430 57.830 56.400 0.000 0.000 0.799 486 E CB -0.173 29.501 29.700 -0.043 0.000 0.748 486 E HN 0.860 nan 8.360 nan 0.000 0.449 487 E N 0.607 120.807 120.200 -0.001 0.000 2.153 487 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 487 E C 1.283 177.889 176.600 0.010 0.000 0.988 487 E CA 1.246 57.647 56.400 0.001 0.000 0.811 487 E CB -0.256 29.441 29.700 -0.004 0.000 0.746 487 E HN 0.247 nan 8.360 nan 0.000 0.466 488 D N 1.510 121.923 120.400 0.021 0.000 2.123 488 D HA 0.022 4.662 4.640 -0.000 0.000 0.200 488 D C 1.996 178.313 176.300 0.028 0.000 0.976 488 D CA 1.884 55.894 54.000 0.016 0.000 0.831 488 D CB -0.282 40.531 40.800 0.022 0.000 0.974 488 D HN 0.323 nan 8.370 nan 0.000 0.469 489 A N 0.493 123.360 122.820 0.079 0.000 1.898 489 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 489 A C 2.336 180.012 177.584 0.152 0.000 1.181 489 A CA 0.803 52.937 52.037 0.161 0.000 0.620 489 A CB -0.667 18.433 19.000 0.166 0.000 0.819 489 A HN 0.185 nan 8.150 nan 0.000 0.442 490 I N -0.633 119.984 120.570 0.078 0.000 2.226 490 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 490 I C 2.595 178.728 176.117 0.026 0.000 1.100 490 I CA 1.731 63.063 61.300 0.053 0.000 1.374 490 I CB -0.228 37.784 38.000 0.021 0.000 1.057 490 I HN 0.523 nan 8.210 nan 0.000 0.413 491 E N 1.260 121.458 120.200 -0.002 0.000 2.077 491 E HA -0.297 4.053 4.350 -0.000 0.000 0.193 491 E C 2.206 178.755 176.600 -0.085 0.000 0.989 491 E CA 1.382 57.762 56.400 -0.034 0.000 0.800 491 E CB 0.042 29.720 29.700 -0.036 0.000 0.746 491 E HN 0.327 nan 8.360 nan 0.000 0.452 492 K N -1.070 119.239 120.400 -0.153 0.000 2.155 492 K HA -0.117 4.203 4.320 -0.000 0.000 0.203 492 K C 1.080 177.367 176.600 -0.520 0.000 1.052 492 K CA 1.202 57.251 56.287 -0.396 0.000 0.948 492 K CB 0.139 32.282 32.500 -0.595 0.000 0.728 492 K HN 0.221 nan 8.250 nan 0.000 0.448 493 Y N -1.166 119.134 120.300 -0.001 0.000 2.423 493 Y HA 0.273 4.823 4.550 -0.000 0.000 0.257 493 Y C 0.404 176.301 175.900 -0.004 0.000 1.087 493 Y CA -0.048 58.051 58.100 -0.001 0.000 1.258 493 Y CB 1.843 40.303 38.460 0.000 0.000 1.237 493 Y HN 0.128 nan 8.280 nan 0.000 0.517 494 G N 1.092 109.959 108.800 0.112 0.000 2.784 494 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.686 494 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.686 494 G C -0.381 174.553 174.900 0.056 0.000 1.156 494 G CA -0.195 44.943 45.100 0.063 0.000 0.757 494 G HN 0.186 nan 8.290 nan 0.000 0.642 495 D N 0.302 120.718 120.400 0.026 0.000 2.149 495 D HA -0.081 4.559 4.640 -0.000 0.000 0.198 495 D C 2.229 178.530 176.300 0.003 0.000 0.990 495 D CA 1.750 55.756 54.000 0.010 0.000 0.839 495 D CB 0.075 40.874 40.800 -0.002 0.000 0.948 495 D HN 0.551 nan 8.370 nan 0.000 0.460 496 K N -0.580 119.825 120.400 0.007 0.000 2.365 496 K HA -0.066 4.254 4.320 -0.000 0.000 0.199 496 K C 0.885 177.485 176.600 -0.000 0.000 1.045 496 K CA 0.830 57.117 56.287 -0.000 0.000 0.962 496 K CB 0.200 32.702 32.500 0.003 0.000 0.759 496 K HN 0.097 nan 8.250 nan 0.000 0.469 497 D N -0.017 120.392 120.400 0.015 0.000 2.369 497 D HA 0.040 4.679 4.640 -0.000 0.000 0.211 497 D C -0.443 175.850 176.300 -0.012 0.000 1.077 497 D CA 0.146 54.150 54.000 0.006 0.000 0.842 497 D CB 0.507 41.327 40.800 0.033 0.000 0.947 497 D HN -0.103 nan 8.370 nan 0.000 0.509 498 I N 1.670 122.237 120.570 -0.005 0.000 2.339 498 I HA 0.342 4.511 4.170 -0.000 0.000 0.290 498 I C -0.043 176.041 176.117 -0.056 0.000 0.994 498 I CA -0.717 60.573 61.300 -0.017 0.000 1.191 498 I CB 1.255 39.264 38.000 0.014 0.000 1.343 498 I HN -0.118 nan 8.210 nan 0.000 0.458 499 E N 5.554 125.710 120.200 -0.073 0.000 2.176 499 E HA 0.527 4.877 4.350 -0.000 0.000 0.267 499 E C -1.445 175.048 176.600 -0.179 0.000 0.893 499 E CA -0.465 55.838 56.400 -0.163 0.000 0.761 499 E CB 1.655 31.247 29.700 -0.181 0.000 1.133 499 E HN 0.316 nan 8.360 nan 0.000 0.409 500 V N 5.903 125.663 119.914 -0.256 0.000 2.313 500 V HA 0.317 4.437 4.120 -0.000 0.000 0.278 500 V C -0.877 175.055 176.094 -0.269 0.000 1.017 500 V CA -0.740 61.449 62.300 -0.184 0.000 0.823 500 V CB 0.158 31.886 31.823 -0.159 0.000 1.010 500 V HN 0.633 nan 8.190 nan 0.000 0.443 501 Y N 4.698 124.970 120.300 -0.047 0.000 2.304 501 Y HA 0.611 5.161 4.550 -0.000 0.000 0.328 501 Y C 0.725 176.652 175.900 0.046 0.000 1.123 501 Y CA -0.174 57.923 58.100 -0.005 0.000 1.218 501 Y CB 0.898 39.336 38.460 -0.038 0.000 1.207 501 Y HN 0.851 nan 8.280 nan 0.000 0.495 502 H N -1.159 117.897 119.070 -0.023 0.000 3.037 502 H HA 0.802 5.358 4.556 -0.000 0.000 0.355 502 H C -1.531 173.673 175.328 -0.207 0.000 1.263 502 H CA -1.191 54.749 56.048 -0.179 0.000 1.129 502 H CB 2.126 31.794 29.762 -0.156 0.000 1.861 502 H HN 0.489 nan 8.280 nan 0.000 0.546 503 S N 1.150 116.609 115.700 -0.401 0.000 2.548 503 S HA 0.259 4.729 4.470 -0.000 0.000 0.278 503 S C -1.558 172.956 174.600 -0.143 0.000 1.150 503 S CA -0.856 57.161 58.200 -0.304 0.000 0.907 503 S CB 1.084 64.157 63.200 -0.212 0.000 1.108 503 S HN 0.817 nan 8.310 nan 0.000 0.459 504 N N 2.064 120.764 118.700 -0.002 0.000 2.482 504 N HA 0.683 5.423 4.740 -0.000 0.000 0.260 504 N C -0.563 175.090 175.510 0.239 0.000 1.236 504 N CA 0.176 53.308 53.050 0.135 0.000 0.938 504 N CB 0.451 38.992 38.487 0.090 0.000 1.128 504 N HN 0.508 nan 8.380 nan 0.000 0.448 505 F N -1.660 118.251 119.950 -0.065 0.000 2.745 505 F HA 0.597 5.124 4.527 -0.000 0.000 0.316 505 F C -1.154 174.597 175.800 -0.081 0.000 1.155 505 F CA -1.265 56.687 58.000 -0.081 0.000 0.937 505 F CB 1.339 40.261 39.000 -0.129 0.000 1.361 505 F HN 0.160 nan 8.300 nan 0.000 0.472 506 K N 1.512 121.906 120.400 -0.010 0.000 2.482 506 K HA 0.595 4.915 4.320 -0.000 0.000 0.251 506 K C -3.129 173.397 176.600 -0.125 0.000 0.936 506 K CA -1.884 54.320 56.287 -0.139 0.000 0.791 506 K CB 2.182 34.698 32.500 0.025 0.000 1.213 506 K HN 0.451 nan 8.250 nan 0.000 0.428 507 P HA -0.020 nan 4.420 nan 0.000 0.268 507 P C 0.532 177.788 177.300 -0.073 0.000 1.205 507 P CA -0.443 62.467 63.100 -0.316 0.000 0.771 507 P CB 0.576 31.805 31.700 -0.784 0.000 0.858 508 L N 3.350 124.575 121.223 0.003 0.000 2.127 508 L HA -0.209 4.131 4.340 -0.000 0.000 0.211 508 L C 1.625 178.601 176.870 0.177 0.000 1.089 508 L CA 2.031 56.915 54.840 0.073 0.000 0.757 508 L CB -0.955 41.124 42.059 0.034 0.000 0.899 508 L HN 0.308 nan 8.230 nan 0.000 0.434 509 E N -1.621 118.708 120.200 0.215 0.000 2.268 509 E HA -0.203 4.146 4.350 -0.000 0.000 0.195 509 E C 1.546 178.500 176.600 0.591 0.000 0.995 509 E CA 1.104 57.746 56.400 0.404 0.000 0.836 509 E CB -0.294 29.593 29.700 0.311 0.000 0.763 509 E HN 0.566 nan 8.360 nan 0.000 0.491 510 W N 0.392 121.774 121.300 0.137 0.000 3.003 510 W HA 0.097 4.756 4.660 -0.000 0.000 0.257 510 W C 1.993 178.514 176.519 0.002 0.000 1.308 510 W CA 0.967 58.368 57.345 0.093 0.000 1.529 510 W CB -0.851 28.654 29.460 0.076 0.000 1.115 510 W HN 0.139 nan 8.180 nan 0.000 0.659 511 T N -2.664 112.003 114.554 0.189 0.000 2.668 511 T HA -0.155 4.194 4.350 -0.000 0.000 0.262 511 T C 1.838 176.384 174.700 -0.257 0.000 1.045 511 T CA 1.701 63.802 62.100 0.001 0.000 1.152 511 T CB -0.944 67.935 68.868 0.018 0.000 0.864 511 T HN -0.109 nan 8.240 nan 0.000 0.419 512 V N 2.356 122.094 119.914 -0.294 0.000 2.515 512 V HA 0.043 4.163 4.120 -0.000 0.000 0.250 512 V C 3.147 178.836 176.094 -0.675 0.000 1.058 512 V CA 1.409 63.354 62.300 -0.592 0.000 1.064 512 V CB -1.343 29.960 31.823 -0.866 0.000 0.675 512 V HN 0.711 nan 8.190 nan 0.000 0.461 513 A N -1.831 120.785 122.820 -0.341 0.000 2.209 513 A HA -0.094 4.225 4.320 -0.000 0.000 0.212 513 A C 0.900 178.260 177.584 -0.373 0.000 1.158 513 A CA 0.330 52.240 52.037 -0.212 0.000 0.742 513 A CB -0.575 18.521 19.000 0.160 0.000 0.790 513 A HN 0.732 nan 8.150 nan 0.000 0.472 514 H N -0.698 118.210 119.070 -0.269 0.000 2.756 514 H HA -0.125 4.431 4.556 -0.000 0.000 0.315 514 H C 0.063 175.327 175.328 -0.106 0.000 1.210 514 H CA 1.156 57.086 56.048 -0.198 0.000 1.150 514 H CB -1.304 28.280 29.762 -0.296 0.000 1.463 514 H HN 0.652 nan 8.280 nan 0.000 0.427 515 R N 0.684 121.196 120.500 0.020 0.000 2.596 515 R HA 0.278 4.618 4.340 -0.000 0.000 0.267 515 R C 0.355 176.737 176.300 0.137 0.000 1.026 515 R CA -0.973 55.122 56.100 -0.009 0.000 1.087 515 R CB 0.998 31.095 30.300 -0.339 0.000 1.132 515 R HN 0.191 nan 8.270 nan 0.000 0.531 516 E N 1.402 121.690 120.200 0.147 0.000 2.414 516 E HA 0.004 4.353 4.350 -0.000 0.000 0.263 516 E C -0.712 176.040 176.600 0.253 0.000 1.000 516 E CA 0.166 56.675 56.400 0.182 0.000 0.914 516 E CB 0.226 30.026 29.700 0.166 0.000 0.948 516 E HN 0.207 nan 8.360 nan 0.000 0.444 517 D N 2.974 123.478 120.400 0.172 0.000 2.362 517 D HA 0.027 4.667 4.640 -0.000 0.000 0.242 517 D C 0.221 176.593 176.300 0.120 0.000 1.132 517 D CA -0.092 53.994 54.000 0.143 0.000 0.907 517 D CB 0.313 41.173 40.800 0.101 0.000 1.195 517 D HN 0.414 nan 8.370 nan 0.000 0.429 518 N N 0.240 118.986 118.700 0.077 0.000 2.740 518 N HA -0.147 4.593 4.740 -0.000 0.000 0.248 518 N C 0.593 176.138 175.510 0.058 0.000 1.062 518 N CA 0.217 53.295 53.050 0.047 0.000 0.704 518 N CB -1.234 37.287 38.487 0.056 0.000 0.968 518 N HN 0.191 nan 8.380 nan 0.000 0.547 519 V N -1.185 118.770 119.914 0.069 0.000 2.922 519 V HA 0.024 4.144 4.120 -0.000 0.000 0.242 519 V C 1.394 177.467 176.094 -0.035 0.000 1.094 519 V CA 0.763 63.137 62.300 0.123 0.000 1.106 519 V CB 0.435 32.475 31.823 0.361 0.000 0.799 519 V HN 0.458 nan 8.190 nan 0.000 0.474 520 C N 1.320 120.435 119.300 -0.308 0.000 2.585 520 C HA 0.441 4.900 4.460 -0.000 0.000 0.406 520 C C -0.107 174.523 174.990 -0.601 0.000 1.312 520 C CA -0.392 58.204 59.018 -0.703 0.000 1.924 520 C CB -1.345 25.491 27.740 -1.506 0.000 2.578 520 C HN 0.527 nan 8.230 nan 0.000 0.580 521 Y N 4.548 124.677 120.300 -0.285 0.000 2.477 521 Y HA 0.760 5.310 4.550 -0.000 0.000 0.347 521 Y C -0.404 175.676 175.900 0.301 0.000 0.981 521 Y CA -1.083 57.057 58.100 0.068 0.000 1.033 521 Y CB 1.160 39.633 38.460 0.022 0.000 1.245 521 Y HN 0.799 nan 8.280 nan 0.000 0.455 522 M N 4.935 124.401 119.600 -0.224 0.000 2.531 522 M HA 0.693 5.173 4.480 -0.000 0.000 0.286 522 M C -2.152 173.898 176.300 -0.418 0.000 1.232 522 M CA -0.847 54.318 55.300 -0.224 0.000 0.877 522 M CB 2.994 35.292 32.600 -0.503 0.000 1.726 522 M HN 0.593 nan 8.290 nan 0.000 0.463 523 K N 1.912 122.310 120.400 -0.004 0.000 2.532 523 K HA 0.784 5.104 4.320 -0.000 0.000 0.265 523 K C -2.087 174.651 176.600 0.231 0.000 0.948 523 K CA -0.949 55.388 56.287 0.085 0.000 0.842 523 K CB 2.411 34.989 32.500 0.132 0.000 1.392 523 K HN 0.871 nan 8.250 nan 0.000 0.436 524 L N 2.373 123.685 121.223 0.149 0.000 2.319 524 L HA 0.395 4.735 4.340 -0.000 0.000 0.281 524 L C -0.811 176.112 176.870 0.089 0.000 1.005 524 L CA -1.340 53.533 54.840 0.054 0.000 0.828 524 L CB 2.039 44.016 42.059 -0.137 0.000 1.227 524 L HN 0.437 nan 8.230 nan 0.000 0.415 525 V N 2.511 122.480 119.914 0.092 0.000 2.461 525 V HA 0.293 4.413 4.120 -0.000 0.000 0.275 525 V C 0.003 176.116 176.094 0.032 0.000 1.047 525 V CA -0.218 62.127 62.300 0.076 0.000 0.955 525 V CB 1.142 33.039 31.823 0.124 0.000 0.988 525 V HN 0.821 nan 8.190 nan 0.000 0.471 526 C N 4.850 124.165 119.300 0.025 0.000 2.802 526 C HA 0.591 5.051 4.460 -0.000 0.000 0.307 526 C C 0.180 175.149 174.990 -0.035 0.000 1.222 526 C CA -1.104 57.916 59.018 0.004 0.000 1.580 526 C CB 1.923 29.707 27.740 0.074 0.000 2.119 526 C HN 0.896 nan 8.230 nan 0.000 0.479 527 R N 1.426 121.874 120.500 -0.086 0.000 2.215 527 R HA 0.240 4.580 4.340 -0.000 0.000 0.336 527 R C 0.866 177.109 176.300 -0.094 0.000 0.996 527 R CA -0.280 55.728 56.100 -0.153 0.000 0.847 527 R CB 0.573 30.675 30.300 -0.329 0.000 1.127 527 R HN 0.772 nan 8.270 nan 0.000 0.465 528 K N 0.695 121.057 120.400 -0.063 0.000 2.057 528 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 528 K C 1.635 178.214 176.600 -0.034 0.000 1.049 528 K CA 1.982 58.251 56.287 -0.030 0.000 0.931 528 K CB 0.100 32.587 32.500 -0.022 0.000 0.714 528 K HN 0.570 nan 8.250 nan 0.000 0.440 529 S N 0.453 116.122 115.700 -0.052 0.000 2.561 529 S HA -0.069 4.401 4.470 -0.000 0.000 0.225 529 S C 0.771 175.342 174.600 -0.049 0.000 0.977 529 S CA 0.647 58.822 58.200 -0.041 0.000 0.926 529 S CB 0.115 63.295 63.200 -0.034 0.000 0.769 529 S HN 0.099 nan 8.310 nan 0.000 0.533 530 D N 2.035 122.391 120.400 -0.074 0.000 3.123 530 D HA 0.288 4.928 4.640 -0.000 0.000 0.305 530 D C -0.527 175.747 176.300 -0.043 0.000 1.373 530 D CA -0.514 53.446 54.000 -0.067 0.000 0.889 530 D CB -1.560 39.175 40.800 -0.109 0.000 1.070 530 D HN 0.344 nan 8.370 nan 0.000 0.494 531 N N 1.144 119.829 118.700 -0.024 0.000 2.710 531 N HA -0.286 4.454 4.740 -0.000 0.000 0.249 531 N C -0.011 175.496 175.510 -0.005 0.000 1.059 531 N CA 0.494 53.539 53.050 -0.009 0.000 0.720 531 N CB -0.786 37.698 38.487 -0.005 0.000 0.983 531 N HN 0.287 nan 8.380 nan 0.000 0.544 532 M N -1.191 118.405 119.600 -0.006 0.000 2.297 532 M HA -0.210 4.270 4.480 -0.000 0.000 0.200 532 M C 0.117 176.408 176.300 -0.015 0.000 0.414 532 M CA 0.785 56.090 55.300 0.009 0.000 0.449 532 M CB -0.673 31.956 32.600 0.049 0.000 1.436 532 M HN 0.341 nan 8.290 nan 0.000 0.912 533 R N -0.137 120.340 120.500 -0.039 0.000 2.522 533 R HA 0.411 4.751 4.340 -0.000 0.000 0.284 533 R C -0.646 175.623 176.300 -0.052 0.000 1.032 533 R CA 0.041 56.116 56.100 -0.042 0.000 1.049 533 R CB 0.571 30.835 30.300 -0.060 0.000 0.956 533 R HN 0.262 nan 8.270 nan 0.000 0.422 534 V N 8.139 128.023 119.914 -0.051 0.000 2.421 534 V HA -0.005 4.115 4.120 -0.000 0.000 0.271 534 V C 1.258 177.326 176.094 -0.044 0.000 1.031 534 V CA 0.283 62.531 62.300 -0.086 0.000 1.032 534 V CB 0.403 32.133 31.823 -0.154 0.000 1.009 534 V HN 0.789 nan 8.190 nan 0.000 0.477 535 L N 4.112 125.318 121.223 -0.029 0.000 2.354 535 L HA 0.407 4.747 4.340 -0.000 0.000 0.212 535 L C 1.149 178.030 176.870 0.019 0.000 1.091 535 L CA 0.793 55.638 54.840 0.009 0.000 0.828 535 L CB 0.075 42.157 42.059 0.038 0.000 0.973 535 L HN 0.753 nan 8.230 nan 0.000 0.461 536 G N 0.142 108.948 108.800 0.011 0.000 2.753 536 G HA2 0.530 4.490 3.960 -0.000 0.000 0.297 536 G HA3 0.530 4.490 3.960 -0.000 0.000 0.297 536 G C -2.076 172.767 174.900 -0.094 0.000 1.430 536 G CA -0.339 44.752 45.100 -0.014 0.000 1.040 536 G HN -0.110 nan 8.290 nan 0.000 0.530 537 L N 1.354 122.390 121.223 -0.313 0.000 2.346 537 L HA 0.860 5.200 4.340 -0.000 0.000 0.276 537 L C -1.099 175.500 176.870 -0.452 0.000 1.006 537 L CA -0.929 53.732 54.840 -0.299 0.000 0.817 537 L CB 1.643 43.469 42.059 -0.389 0.000 1.272 537 L HN 0.680 nan 8.230 nan 0.000 0.421 538 H N 3.227 122.419 119.070 0.204 0.000 2.782 538 H HA 0.608 5.163 4.556 -0.000 0.000 0.347 538 H C -1.276 174.320 175.328 0.447 0.000 1.038 538 H CA -0.480 55.782 56.048 0.358 0.000 1.255 538 H CB 2.270 32.277 29.762 0.408 0.000 1.623 538 H HN 0.374 nan 8.280 nan 0.000 0.525 539 V N 4.783 125.030 119.914 0.555 0.000 2.577 539 V HA 0.455 4.574 4.120 -0.000 0.000 0.303 539 V C -1.561 174.812 176.094 0.464 0.000 1.042 539 V CA -0.780 61.810 62.300 0.483 0.000 0.872 539 V CB 1.588 33.701 31.823 0.484 0.000 0.998 539 V HN 0.612 nan 8.190 nan 0.000 0.423 540 L N 7.386 128.831 121.223 0.370 0.000 2.298 540 L HA 1.047 5.387 4.340 -0.000 0.000 0.284 540 L C 0.108 177.025 176.870 0.078 0.000 1.013 540 L CA 1.131 56.102 54.840 0.219 0.000 0.824 540 L CB 1.083 43.218 42.059 0.126 0.000 1.221 540 L HN 0.997 nan 8.230 nan 0.000 0.418 541 G N 4.020 112.844 108.800 0.040 0.000 2.320 541 G HA2 0.327 4.286 3.960 -0.000 0.000 0.296 541 G HA3 0.327 4.286 3.960 -0.000 0.000 0.296 541 G C -3.404 171.497 174.900 0.001 0.000 1.306 541 G CA -0.813 44.250 45.100 -0.063 0.000 0.836 541 G HN 0.343 nan 8.290 nan 0.000 0.517 542 P HA 0.233 nan 4.420 nan 0.000 0.275 542 P C -0.148 177.211 177.300 0.098 0.000 1.227 542 P CA -0.082 63.059 63.100 0.068 0.000 0.781 542 P CB 0.370 32.101 31.700 0.053 0.000 0.906 543 N N 0.661 119.449 118.700 0.145 0.000 2.725 543 N HA -0.250 4.490 4.740 -0.000 0.000 0.249 543 N C 0.940 176.529 175.510 0.132 0.000 1.103 543 N CA 0.990 54.131 53.050 0.151 0.000 0.707 543 N CB -1.623 36.933 38.487 0.115 0.000 1.043 543 N HN 0.562 nan 8.380 nan 0.000 0.553 544 A N 0.019 122.906 122.820 0.111 0.000 2.024 544 A HA -0.015 4.305 4.320 -0.000 0.000 0.220 544 A C 2.288 179.900 177.584 0.047 0.000 1.164 544 A CA 2.173 54.265 52.037 0.091 0.000 0.643 544 A CB -0.703 18.333 19.000 0.060 0.000 0.806 544 A HN 0.550 nan 8.150 nan 0.000 0.451 545 G N -0.517 108.299 108.800 0.026 0.000 2.404 545 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.215 545 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.215 545 G C 1.339 176.285 174.900 0.077 0.000 1.174 545 G CA 0.812 45.934 45.100 0.037 0.000 0.780 545 G HN 0.501 nan 8.290 nan 0.000 0.537 546 E N 0.545 120.806 120.200 0.101 0.000 2.153 546 E HA -0.061 4.289 4.350 -0.000 0.000 0.194 546 E C 2.525 179.164 176.600 0.065 0.000 0.988 546 E CA 0.471 56.914 56.400 0.072 0.000 0.811 546 E CB -0.137 29.606 29.700 0.071 0.000 0.746 546 E HN 0.532 nan 8.360 nan 0.000 0.466 547 I N 0.955 121.593 120.570 0.113 0.000 2.163 547 I HA -0.211 3.959 4.170 -0.000 0.000 0.240 547 I C 2.298 178.552 176.117 0.229 0.000 1.081 547 I CA 1.368 62.781 61.300 0.188 0.000 1.353 547 I CB -0.418 37.744 38.000 0.270 0.000 1.054 547 I HN 0.021 nan 8.210 nan 0.000 0.407 548 T N -0.359 114.300 114.554 0.175 0.000 2.867 548 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 548 T C 1.738 176.491 174.700 0.087 0.000 1.057 548 T CA 1.200 63.390 62.100 0.151 0.000 1.136 548 T CB -0.241 68.644 68.868 0.029 0.000 0.874 548 T HN 0.231 nan 8.240 nan 0.000 0.466 549 Q N 1.538 121.350 119.800 0.021 0.000 2.045 549 Q HA -0.084 4.256 4.340 -0.000 0.000 0.206 549 Q C 2.473 178.429 176.000 -0.073 0.000 0.991 549 Q CA 2.310 58.098 55.803 -0.024 0.000 0.851 549 Q CB -1.140 27.585 28.738 -0.022 0.000 0.911 549 Q HN 0.502 nan 8.270 nan 0.000 0.418 550 G N -1.342 107.362 108.800 -0.160 0.000 2.442 550 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 550 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 550 G C 0.939 175.659 174.900 -0.300 0.000 1.141 550 G CA 1.048 45.986 45.100 -0.271 0.000 0.763 550 G HN 0.455 nan 8.290 nan 0.000 0.554 551 Y N 1.152 121.364 120.300 -0.146 0.000 2.293 551 Y HA 0.129 4.679 4.550 -0.000 0.000 0.291 551 Y C 3.060 178.891 175.900 -0.114 0.000 1.137 551 Y CA 0.382 58.378 58.100 -0.173 0.000 1.202 551 Y CB -0.504 37.832 38.460 -0.206 0.000 0.990 551 Y HN 0.254 nan 8.280 nan 0.000 0.537 552 A N -0.213 122.630 122.820 0.038 0.000 1.978 552 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 552 A C 2.365 179.938 177.584 -0.019 0.000 1.170 552 A CA 1.990 54.025 52.037 -0.003 0.000 0.636 552 A CB -1.166 17.818 19.000 -0.026 0.000 0.810 552 A HN 0.262 nan 8.150 nan 0.000 0.448 553 V N -0.276 119.614 119.914 -0.041 0.000 2.295 553 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 553 V C 3.035 179.106 176.094 -0.038 0.000 1.049 553 V CA 1.933 64.204 62.300 -0.048 0.000 1.024 553 V CB -1.356 30.424 31.823 -0.072 0.000 0.648 553 V HN 0.610 nan 8.190 nan 0.000 0.447 554 A N 0.060 122.854 122.820 -0.044 0.000 1.902 554 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 554 A C 2.194 179.795 177.584 0.028 0.000 1.181 554 A CA 1.915 53.935 52.037 -0.029 0.000 0.623 554 A CB -0.578 18.374 19.000 -0.080 0.000 0.818 554 A HN 0.506 nan 8.150 nan 0.000 0.443 555 I N -0.568 120.035 120.570 0.056 0.000 2.226 555 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 555 I C 2.491 178.621 176.117 0.021 0.000 1.100 555 I CA 1.820 63.152 61.300 0.053 0.000 1.374 555 I CB -0.221 37.802 38.000 0.037 0.000 1.057 555 I HN 0.269 nan 8.210 nan 0.000 0.413 556 K N 1.535 121.938 120.400 0.005 0.000 2.074 556 K HA -0.155 4.165 4.320 -0.000 0.000 0.209 556 K C 1.938 178.538 176.600 -0.001 0.000 1.048 556 K CA 1.867 58.151 56.287 -0.004 0.000 0.926 556 K CB -0.255 32.236 32.500 -0.016 0.000 0.713 556 K HN 0.235 nan 8.250 nan 0.000 0.444 557 M N -1.135 118.464 119.600 -0.002 0.000 2.562 557 M HA 0.116 4.595 4.480 -0.000 0.000 0.257 557 M C 0.567 176.871 176.300 0.007 0.000 1.099 557 M CA 0.929 56.228 55.300 -0.002 0.000 1.099 557 M CB 0.304 32.897 32.600 -0.011 0.000 1.427 557 M HN 0.392 nan 8.290 nan 0.000 0.489 558 G N 1.335 110.145 108.800 0.017 0.000 2.392 558 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.215 558 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.215 558 G C -0.114 174.808 174.900 0.037 0.000 1.097 558 G CA -0.241 44.872 45.100 0.021 0.000 0.840 558 G HN 0.661 nan 8.290 nan 0.000 0.492 559 A N 0.478 123.340 122.820 0.070 0.000 2.477 559 A HA 0.759 5.079 4.320 -0.000 0.000 0.246 559 A C 1.104 178.761 177.584 0.120 0.000 1.078 559 A CA 1.183 53.299 52.037 0.132 0.000 0.770 559 A CB 0.302 19.459 19.000 0.262 0.000 1.011 559 A HN 1.966 nan 8.150 nan 0.000 0.494 560 T N -0.458 114.167 114.554 0.119 0.000 2.948 560 T HA 0.463 4.812 4.350 -0.000 0.000 0.285 560 T C 0.955 175.704 174.700 0.081 0.000 1.019 560 T CA -0.449 61.687 62.100 0.060 0.000 1.013 560 T CB 1.207 70.095 68.868 0.033 0.000 1.117 560 T HN 0.495 nan 8.240 nan 0.000 0.533 561 K N 0.827 121.201 120.400 -0.043 0.000 2.103 561 K HA 0.037 4.356 4.320 -0.000 0.000 0.207 561 K C 2.308 178.898 176.600 -0.016 0.000 1.048 561 K CA 1.878 58.078 56.287 -0.144 0.000 0.930 561 K CB -1.180 31.159 32.500 -0.269 0.000 0.716 561 K HN 0.736 nan 8.250 nan 0.000 0.444 562 A N 0.866 123.692 122.820 0.009 0.000 1.933 562 A HA -0.162 4.157 4.320 -0.000 0.000 0.218 562 A C 1.709 179.334 177.584 0.067 0.000 1.175 562 A CA 1.950 54.002 52.037 0.025 0.000 0.628 562 A CB -0.601 18.408 19.000 0.015 0.000 0.814 562 A HN 0.421 nan 8.150 nan 0.000 0.444 563 D N -0.962 119.504 120.400 0.111 0.000 2.178 563 D HA -0.099 4.541 4.640 -0.000 0.000 0.202 563 D C 1.561 177.919 176.300 0.097 0.000 0.974 563 D CA 0.993 55.049 54.000 0.093 0.000 0.841 563 D CB -0.327 40.528 40.800 0.093 0.000 0.953 563 D HN 0.574 nan 8.370 nan 0.000 0.478 564 F N 1.295 121.231 119.950 -0.023 0.000 2.163 564 F HA -0.112 4.415 4.527 -0.000 0.000 0.297 564 F C 2.228 178.023 175.800 -0.008 0.000 1.094 564 F CA 0.658 58.657 58.000 -0.002 0.000 1.290 564 F CB 0.116 39.097 39.000 -0.032 0.000 1.017 564 F HN -0.183 nan 8.300 nan 0.000 0.483 565 D N 0.153 120.645 120.400 0.154 0.000 2.117 565 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 565 D C 2.213 178.534 176.300 0.036 0.000 0.982 565 D CA 1.129 55.167 54.000 0.063 0.000 0.828 565 D CB -0.425 40.383 40.800 0.013 0.000 0.967 565 D HN 0.367 nan 8.370 nan 0.000 0.464 566 R N 0.515 121.031 120.500 0.027 0.000 2.189 566 R HA 0.032 4.372 4.340 -0.000 0.000 0.218 566 R C 0.493 176.790 176.300 -0.004 0.000 1.074 566 R CA 0.563 56.666 56.100 0.006 0.000 0.991 566 R CB -0.776 29.525 30.300 0.002 0.000 0.883 566 R HN -0.085 nan 8.270 nan 0.000 0.457 567 T N 2.586 117.135 114.554 -0.008 0.000 2.919 567 T HA 0.252 4.601 4.350 -0.000 0.000 0.302 567 T C 0.290 174.985 174.700 -0.009 0.000 1.031 567 T CA -0.288 61.795 62.100 -0.028 0.000 1.127 567 T CB 1.131 69.957 68.868 -0.069 0.000 0.952 567 T HN 0.019 nan 8.240 nan 0.000 0.540 568 I N 2.346 122.906 120.570 -0.015 0.000 2.385 568 I HA 0.356 4.526 4.170 -0.000 0.000 0.294 568 I C 1.223 177.343 176.117 0.004 0.000 0.988 568 I CA -0.639 60.658 61.300 -0.005 0.000 1.265 568 I CB 0.654 38.648 38.000 -0.010 0.000 1.388 568 I HN 0.704 nan 8.210 nan 0.000 0.480 569 G N 5.976 114.787 108.800 0.020 0.000 2.569 569 G HA2 0.509 4.469 3.960 -0.000 0.000 0.249 569 G HA3 0.509 4.469 3.960 -0.000 0.000 0.249 569 G C -0.246 174.680 174.900 0.044 0.000 1.216 569 G CA -0.514 44.610 45.100 0.040 0.000 0.845 569 G HN 0.534 nan 8.290 nan 0.000 0.568 570 I N 0.657 121.258 120.570 0.052 0.000 2.321 570 I HA 0.214 4.384 4.170 -0.000 0.000 0.291 570 I C -0.175 176.005 176.117 0.105 0.000 0.998 570 I CA -0.632 60.702 61.300 0.057 0.000 1.227 570 I CB 1.384 39.397 38.000 0.021 0.000 1.368 570 I HN 0.467 nan 8.210 nan 0.000 0.466 571 H N 7.308 126.378 119.070 0.001 0.000 2.469 571 H HA 0.572 5.128 4.556 -0.000 0.000 0.342 571 H C -2.388 172.946 175.328 0.011 0.000 1.115 571 H CA -1.823 54.228 56.048 0.006 0.000 1.204 571 H CB 1.477 31.242 29.762 0.005 0.000 1.492 571 H HN 0.336 nan 8.280 nan 0.000 0.499 572 P HA 0.274 nan 4.420 nan 0.000 0.297 572 P C -1.239 175.941 177.300 -0.199 0.000 1.342 572 P CA -0.667 62.064 63.100 -0.614 0.000 0.801 572 P CB 1.250 32.552 31.700 -0.664 0.000 0.920 573 T N -1.227 113.273 114.554 -0.089 0.000 2.883 573 T HA 0.287 4.637 4.350 -0.000 0.000 0.296 573 T C 0.792 175.484 174.700 -0.014 0.000 1.117 573 T CA -0.505 61.578 62.100 -0.028 0.000 1.006 573 T CB 0.857 69.727 68.868 0.004 0.000 1.191 573 T HN 0.281 nan 8.240 nan 0.000 0.508 574 C N 0.507 119.808 119.300 0.002 0.000 2.466 574 C HA 0.061 4.520 4.460 -0.000 0.000 0.278 574 C C 3.126 178.038 174.990 -0.130 0.000 1.288 574 C CA 1.214 60.223 59.018 -0.015 0.000 1.722 574 C CB -1.040 26.770 27.740 0.117 0.000 2.017 574 C HN 1.036 nan 8.230 nan 0.000 0.488 575 S N 1.040 116.752 115.700 0.021 0.000 2.400 575 S HA -0.209 4.261 4.470 -0.000 0.000 0.232 575 S C 1.918 176.615 174.600 0.163 0.000 1.025 575 S CA 1.971 60.271 58.200 0.167 0.000 0.993 575 S CB -0.454 62.891 63.200 0.242 0.000 0.808 575 S HN 0.847 nan 8.310 nan 0.000 0.478 576 E N -0.083 120.157 120.200 0.067 0.000 2.267 576 E HA -0.149 4.201 4.350 -0.000 0.000 0.197 576 E C 1.524 178.129 176.600 0.009 0.000 0.998 576 E CA 1.638 58.080 56.400 0.071 0.000 0.830 576 E CB -0.846 28.896 29.700 0.070 0.000 0.751 576 E HN 0.448 nan 8.360 nan 0.000 0.491 577 T N 0.490 114.942 114.554 -0.169 0.000 2.881 577 T HA -0.117 4.233 4.350 -0.000 0.000 0.270 577 T C 1.049 175.594 174.700 -0.259 0.000 1.068 577 T CA 1.083 62.993 62.100 -0.318 0.000 1.131 577 T CB -0.315 68.118 68.868 -0.724 0.000 0.871 577 T HN 0.191 nan 8.240 nan 0.000 0.479 578 F N 1.945 121.835 119.950 -0.100 0.000 2.365 578 F HA -0.033 4.494 4.527 -0.000 0.000 0.300 578 F C 2.744 178.625 175.800 0.135 0.000 1.090 578 F CA 0.992 58.980 58.000 -0.020 0.000 1.408 578 F CB -0.879 38.093 39.000 -0.047 0.000 1.060 578 F HN 0.248 nan 8.300 nan 0.000 0.534 579 T N -4.484 110.229 114.554 0.265 0.000 3.088 579 T HA -0.024 4.326 4.350 -0.000 0.000 0.259 579 T C 1.319 176.084 174.700 0.108 0.000 1.122 579 T CA 1.175 63.394 62.100 0.199 0.000 1.095 579 T CB -0.566 68.378 68.868 0.125 0.000 0.930 579 T HN 0.244 nan 8.240 nan 0.000 0.508 580 T N -0.443 114.152 114.554 0.068 0.000 3.231 580 T HA 0.463 4.813 4.350 -0.000 0.000 0.292 580 T C 0.260 175.017 174.700 0.094 0.000 1.001 580 T CA -0.650 61.480 62.100 0.050 0.000 0.920 580 T CB -0.525 68.361 68.868 0.029 0.000 1.140 580 T HN 0.300 nan 8.240 nan 0.000 0.525 581 L N 3.507 124.755 121.223 0.041 0.000 2.490 581 L HA 0.262 4.602 4.340 -0.000 0.000 0.274 581 L C 1.810 178.754 176.870 0.124 0.000 1.201 581 L CA 0.091 54.954 54.840 0.038 0.000 0.869 581 L CB 0.339 42.381 42.059 -0.028 0.000 1.123 581 L HN 0.542 nan 8.230 nan 0.000 0.484 582 H N 0.602 119.738 119.070 0.110 0.000 3.678 582 H HA 0.161 4.717 4.556 -0.000 0.000 0.246 582 H C 0.120 175.603 175.328 0.259 0.000 1.016 582 H CA -0.162 55.997 56.048 0.184 0.000 1.104 582 H CB 0.054 29.866 29.762 0.083 0.000 1.449 582 H HN 0.295 nan 8.280 nan 0.000 0.606 583 V N 4.820 124.540 119.914 -0.325 0.000 2.439 583 V HA 0.182 4.302 4.120 -0.000 0.000 0.271 583 V C 0.925 177.057 176.094 0.063 0.000 1.040 583 V CA 0.525 62.737 62.300 -0.147 0.000 1.002 583 V CB 0.728 32.391 31.823 -0.267 0.000 1.000 583 V HN 0.650 nan 8.190 nan 0.000 0.477 584 T N 2.072 116.608 114.554 -0.030 0.000 2.918 584 T HA 0.380 4.730 4.350 -0.000 0.000 0.283 584 T C 0.878 175.518 174.700 -0.101 0.000 1.001 584 T CA -0.792 61.191 62.100 -0.196 0.000 1.041 584 T CB 1.556 70.216 68.868 -0.346 0.000 1.028 584 T HN 0.539 nan 8.240 nan 0.000 0.511 585 K N 0.368 120.619 120.400 -0.249 0.000 2.155 585 K HA -0.002 4.318 4.320 -0.000 0.000 0.203 585 K C 2.173 178.704 176.600 -0.114 0.000 1.052 585 K CA 0.909 57.055 56.287 -0.236 0.000 0.948 585 K CB -0.065 32.238 32.500 -0.330 0.000 0.728 585 K HN 0.561 nan 8.250 nan 0.000 0.448 586 K N 0.676 121.004 120.400 -0.120 0.000 2.288 586 K HA -0.071 4.249 4.320 -0.000 0.000 0.201 586 K C 2.120 178.693 176.600 -0.045 0.000 1.048 586 K CA 1.244 57.484 56.287 -0.078 0.000 0.956 586 K CB 0.113 32.563 32.500 -0.084 0.000 0.746 586 K HN 0.118 nan 8.250 nan 0.000 0.461 587 S N -0.854 114.823 115.700 -0.038 0.000 2.428 587 S HA -0.014 4.456 4.470 -0.000 0.000 0.230 587 S C 1.638 176.243 174.600 0.010 0.000 1.014 587 S CA 0.919 59.114 58.200 -0.008 0.000 0.957 587 S CB -0.056 63.147 63.200 0.004 0.000 0.784 587 S HN 0.424 nan 8.310 nan 0.000 0.499 588 G N 0.339 109.151 108.800 0.018 0.000 2.179 588 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.260 588 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.260 588 G C 0.130 175.059 174.900 0.048 0.000 0.977 588 G CA 0.169 45.287 45.100 0.031 0.000 0.641 588 G HN 0.829 nan 8.290 nan 0.000 0.533 589 V N 1.337 121.281 119.914 0.051 0.000 2.637 589 V HA 0.484 4.604 4.120 -0.000 0.000 0.296 589 V C 1.413 177.533 176.094 0.045 0.000 1.046 589 V CA 0.497 62.822 62.300 0.043 0.000 1.066 589 V CB 1.505 33.350 31.823 0.036 0.000 0.968 589 V HN 0.530 nan 8.190 nan 0.000 0.483 590 S N 6.052 121.767 115.700 0.025 0.000 2.552 590 S HA 0.116 4.586 4.470 -0.000 0.000 0.289 590 S C -0.861 173.702 174.600 -0.062 0.000 1.304 590 S CA -0.788 57.416 58.200 0.007 0.000 1.063 590 S CB 0.656 63.864 63.200 0.012 0.000 0.848 590 S HN 0.770 nan 8.310 nan 0.000 0.499 591 P HA 0.093 nan 4.420 nan 0.000 0.245 591 P C 0.544 177.769 177.300 -0.125 0.000 1.212 591 P CA 0.059 62.978 63.100 -0.302 0.000 0.774 591 P CB -0.536 30.838 31.700 -0.543 0.000 0.999 592 I N -1.290 119.256 120.570 -0.041 0.000 3.045 592 I HA 0.138 4.308 4.170 -0.000 0.000 0.288 592 I C 0.649 176.773 176.117 0.012 0.000 1.238 592 I CA -0.826 60.476 61.300 0.004 0.000 1.396 592 I CB 0.120 38.132 38.000 0.020 0.000 1.355 592 I HN -0.270 nan 8.210 nan 0.000 0.601 593 V N 0.000 119.935 119.914 0.036 0.000 2.409 593 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 593 V CA 0.000 62.329 62.300 0.049 0.000 1.235 593 V CB 0.000 31.862 31.823 0.065 0.000 1.184 593 V HN 0.000 nan 8.190 nan 0.000 0.556