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 2bpo_1_A DATA FIRST_RESID 47 DATA SEQUENCE NRDIAQVVTE NNKNYLVLYA SQTGTAEGFA KAFSKELVAK FNLNVMCADV DATA SEQUENCE ENYDFESLND VPVIVSIFIS TYGEGDFPDG AVNFEDFICN AEAGALSNLR DATA SEQUENCE YNMFGLGNST YEFFNGAAKK AEKHLSAAGA IRLGKLGEAD DGAGTTDEDY DATA SEQUENCE MAWKDSILEV LKDELHLDEQ EAKFTSQFQY TVLNEITDSM SLGEPSAHYL DATA SEQUENCE PSHQLNRNAD GIQLGPFDLS QPYIAPIVKS RELFSSNDRN CIHSEFDLSG DATA SEQUENCE SNIKYSTGDH LAVWPSNPLE KVEQFLSIFN LDPETIFDLK PLDPTVKVPF DATA SEQUENCE PTPTTIGAAI KHYLEITGPV SRQLFSSLIQ FAPNADVKEK LTLLSKDKDQ DATA SEQUENCE FAVEITSKYF NIADALKYLS DGAKWDTVPM QFLVESVPQM TPRYYSISSS DATA SEQUENCE SLSEKQTVHV TSIVENFPNP ELPDAPPVVG VTTNLLRNIQ LAQNNVNIAE DATA SEQUENCE TNLPVHYDLN GPRKLFANYK LPVHVRRSNF RLPSNPSTPV IMIGPGTGVA DATA SEQUENCE PFRGFIRERV AFLESQKXXX XNVSLGKHIL FYGSRNTDDF LYQDEWPEYA DATA SEQUENCE KKLDGSFEMV VAHSRLPNTK KVYVQDKLKD YEDQVFEMIN NGAFIYVCGD DATA SEQUENCE AKGMAKGVST ALVGILSRGK SITTDEATEL IKMLKTSGRY QEDVW 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 47 N HA 0.000 nan 4.740 nan 0.000 0.220 47 N C 0.000 175.527 175.510 0.029 0.000 1.280 47 N CA 0.000 53.064 53.050 0.024 0.000 0.885 47 N CB 0.000 38.483 38.487 -0.006 0.000 1.341 48 R N -0.322 120.182 120.500 0.008 0.000 2.531 48 R HA 0.330 4.670 4.340 0.000 0.000 0.316 48 R C -1.124 175.187 176.300 0.019 0.000 0.955 48 R CA -0.116 55.970 56.100 -0.023 0.000 1.120 48 R CB 0.461 30.712 30.300 -0.082 0.000 1.361 48 R HN 0.075 nan 8.270 nan 0.000 0.534 49 D N 1.065 121.466 120.400 0.001 0.000 2.441 49 D HA 0.031 4.671 4.640 0.000 0.000 0.221 49 D C 1.111 177.347 176.300 -0.106 0.000 1.156 49 D CA -0.231 53.730 54.000 -0.066 0.000 0.896 49 D CB 0.733 41.503 40.800 -0.050 0.000 1.028 49 D HN 0.052 nan 8.370 nan 0.000 0.509 50 I N 4.116 124.543 120.570 -0.238 0.000 2.103 50 I HA -0.396 3.774 4.170 0.000 0.000 0.241 50 I C 1.991 177.968 176.117 -0.232 0.000 1.036 50 I CA 2.262 63.339 61.300 -0.372 0.000 1.300 50 I CB -0.334 37.286 38.000 -0.635 0.000 1.010 50 I HN 0.455 nan 8.210 nan 0.000 0.406 51 A N -0.800 121.920 122.820 -0.166 0.000 1.948 51 A HA -0.344 3.976 4.320 0.000 0.000 0.220 51 A C 2.357 179.896 177.584 -0.075 0.000 1.177 51 A CA 2.221 54.200 52.037 -0.096 0.000 0.636 51 A CB -0.934 18.029 19.000 -0.062 0.000 0.815 51 A HN 0.750 nan 8.150 nan 0.000 0.449 52 Q N -0.260 119.498 119.800 -0.070 0.000 2.083 52 Q HA -0.102 4.238 4.340 0.000 0.000 0.198 52 Q C 1.846 177.820 176.000 -0.042 0.000 0.969 52 Q CA 1.900 57.677 55.803 -0.044 0.000 0.838 52 Q CB -0.205 28.513 28.738 -0.033 0.000 0.900 52 Q HN 0.406 nan 8.270 nan 0.000 0.436 53 V N 0.304 120.183 119.914 -0.058 0.000 2.358 53 V HA -0.212 3.908 4.120 0.000 0.000 0.246 53 V C 2.394 178.449 176.094 -0.065 0.000 1.047 53 V CA 1.347 63.618 62.300 -0.048 0.000 1.035 53 V CB -0.592 31.199 31.823 -0.053 0.000 0.658 53 V HN 0.236 nan 8.190 nan 0.000 0.452 54 V N 1.385 121.240 119.914 -0.098 0.000 2.219 54 V HA -0.337 3.783 4.120 0.000 0.000 0.248 54 V C 2.948 179.019 176.094 -0.038 0.000 1.053 54 V CA 3.002 65.257 62.300 -0.074 0.000 1.009 54 V CB -1.424 30.351 31.823 -0.079 0.000 0.636 54 V HN 0.832 nan 8.190 nan 0.000 0.445 55 T N -1.461 113.073 114.554 -0.035 0.000 2.699 55 T HA -0.288 4.062 4.350 0.000 0.000 0.268 55 T C 1.627 176.320 174.700 -0.013 0.000 1.036 55 T CA 1.983 64.071 62.100 -0.019 0.000 1.147 55 T CB -0.585 68.272 68.868 -0.019 0.000 0.862 55 T HN 0.602 nan 8.240 nan 0.000 0.446 56 E N 1.269 121.460 120.200 -0.015 0.000 2.338 56 E HA -0.012 4.338 4.350 0.000 0.000 0.197 56 E C 1.132 177.729 176.600 -0.004 0.000 1.007 56 E CA 0.589 56.985 56.400 -0.008 0.000 0.849 56 E CB -0.015 29.682 29.700 -0.006 0.000 0.774 56 E HN 0.585 nan 8.360 nan 0.000 0.506 57 N N 0.974 119.670 118.700 -0.007 0.000 2.234 57 N HA 0.042 4.782 4.740 0.000 0.000 0.227 57 N C -0.612 174.898 175.510 0.000 0.000 1.151 57 N CA -0.003 53.045 53.050 -0.003 0.000 0.865 57 N CB 0.655 39.139 38.487 -0.004 0.000 1.066 57 N HN 0.058 nan 8.380 nan 0.000 0.515 58 N N 1.168 119.868 118.700 0.000 0.000 2.710 58 N HA -0.163 4.577 4.740 0.000 0.000 0.249 58 N C -0.638 174.880 175.510 0.014 0.000 1.059 58 N CA 0.937 53.990 53.050 0.006 0.000 0.720 58 N CB -0.752 37.739 38.487 0.007 0.000 0.983 58 N HN 0.242 nan 8.380 nan 0.000 0.544 59 K N 1.342 121.749 120.400 0.012 0.000 2.412 59 K HA 0.148 4.468 4.320 0.000 0.000 0.281 59 K C 1.376 178.004 176.600 0.047 0.000 1.027 59 K CA -0.182 56.123 56.287 0.029 0.000 0.989 59 K CB 0.567 33.078 32.500 0.017 0.000 0.935 59 K HN 0.203 nan 8.250 nan 0.000 0.475 60 N N 1.105 119.854 118.700 0.080 0.000 2.290 60 N HA -0.095 4.645 4.740 0.000 0.000 0.179 60 N C 0.023 175.643 175.510 0.183 0.000 1.016 60 N CA 0.880 53.994 53.050 0.106 0.000 0.871 60 N CB 0.100 38.650 38.487 0.104 0.000 0.987 60 N HN 0.508 nan 8.380 nan 0.000 0.431 61 Y N 0.012 120.341 120.300 0.048 0.000 2.553 61 Y HA 0.489 5.039 4.550 0.000 0.000 0.347 61 Y C -1.486 174.471 175.900 0.095 0.000 1.019 61 Y CA -1.244 56.904 58.100 0.080 0.000 1.032 61 Y CB 1.539 40.059 38.460 0.099 0.000 1.284 61 Y HN -0.190 nan 8.280 nan 0.000 0.466 62 L N 5.241 126.331 121.223 -0.222 0.000 2.349 62 L HA 0.736 5.076 4.340 0.000 0.000 0.278 62 L C -1.853 175.055 176.870 0.062 0.000 0.996 62 L CA -0.668 54.145 54.840 -0.045 0.000 0.825 62 L CB 1.452 43.462 42.059 -0.081 0.000 1.243 62 L HN 0.418 nan 8.230 nan 0.000 0.412 63 V N 6.730 126.821 119.914 0.295 0.000 2.357 63 V HA 0.489 4.609 4.120 0.000 0.000 0.284 63 V C -0.027 176.271 176.094 0.341 0.000 1.018 63 V CA -0.427 62.158 62.300 0.474 0.000 0.841 63 V CB 1.461 33.682 31.823 0.663 0.000 0.991 63 V HN 0.647 nan 8.190 nan 0.000 0.437 64 L N 5.964 127.374 121.223 0.311 0.000 2.334 64 L HA 0.716 5.056 4.340 0.000 0.000 0.273 64 L C -0.982 176.043 176.870 0.258 0.000 1.013 64 L CA -0.847 54.073 54.840 0.132 0.000 0.816 64 L CB 1.895 43.934 42.059 -0.032 0.000 1.278 64 L HN 0.771 nan 8.230 nan 0.000 0.431 65 Y N 0.750 121.094 120.300 0.073 0.000 2.479 65 Y HA 0.793 5.343 4.550 0.000 0.000 0.338 65 Y C -1.068 174.826 175.900 -0.011 0.000 1.055 65 Y CA -1.463 56.698 58.100 0.100 0.000 1.023 65 Y CB 1.548 40.091 38.460 0.138 0.000 1.287 65 Y HN 0.478 nan 8.280 nan 0.000 0.447 66 A N 2.954 125.889 122.820 0.193 0.000 2.328 66 A HA 0.685 5.005 4.320 0.000 0.000 0.318 66 A C -0.768 176.929 177.584 0.189 0.000 1.347 66 A CA -0.285 51.822 52.037 0.117 0.000 0.842 66 A CB 0.408 19.454 19.000 0.077 0.000 1.148 66 A HN 0.951 nan 8.150 nan 0.000 0.499 67 S N 1.756 117.595 115.700 0.231 0.000 2.547 67 S HA 0.433 4.903 4.470 0.000 0.000 0.281 67 S C 0.398 175.029 174.600 0.052 0.000 1.118 67 S CA -0.374 57.915 58.200 0.148 0.000 0.947 67 S CB 1.827 65.104 63.200 0.129 0.000 1.053 67 S HN 0.758 nan 8.310 nan 0.000 0.482 68 Q N 2.465 122.233 119.800 -0.053 0.000 2.042 68 Q HA 0.087 4.427 4.340 0.000 0.000 0.194 68 Q C 1.232 177.191 176.000 -0.067 0.000 0.978 68 Q CA 1.480 57.181 55.803 -0.169 0.000 0.828 68 Q CB -0.311 28.088 28.738 -0.564 0.000 0.901 68 Q HN 0.800 nan 8.270 nan 0.000 0.461 69 T N -0.464 114.075 114.554 -0.024 0.000 3.113 69 T HA 0.089 4.439 4.350 0.000 0.000 0.263 69 T C 0.851 175.540 174.700 -0.018 0.000 1.143 69 T CA 0.831 62.933 62.100 0.004 0.000 1.090 69 T CB -0.182 68.708 68.868 0.037 0.000 0.922 69 T HN 0.685 nan 8.240 nan 0.000 0.521 70 G N 0.911 109.695 108.800 -0.028 0.000 2.132 70 G HA2 -0.286 3.674 3.960 0.000 0.000 0.228 70 G HA3 -0.286 3.674 3.960 0.000 0.000 0.228 70 G C 0.837 175.637 174.900 -0.166 0.000 1.000 70 G CA 0.504 45.550 45.100 -0.090 0.000 0.693 70 G HN 0.481 nan 8.290 nan 0.000 0.515 71 T N 0.060 114.540 114.554 -0.124 0.000 2.937 71 T HA 0.305 4.655 4.350 0.000 0.000 0.260 71 T C 2.740 177.290 174.700 -0.250 0.000 1.051 71 T CA 1.859 63.830 62.100 -0.216 0.000 1.141 71 T CB -0.112 68.696 68.868 -0.100 0.000 0.879 71 T HN 1.032 nan 8.240 nan 0.000 0.459 72 A N 1.525 124.308 122.820 -0.061 0.000 1.897 72 A HA -0.049 4.271 4.320 0.000 0.000 0.215 72 A C 2.186 179.596 177.584 -0.290 0.000 1.181 72 A CA 1.571 53.635 52.037 0.044 0.000 0.620 72 A CB -0.549 18.572 19.000 0.201 0.000 0.821 72 A HN 0.563 nan 8.150 nan 0.000 0.443 73 E N -0.246 119.636 120.200 -0.531 0.000 2.033 73 E HA -0.204 4.146 4.350 0.000 0.000 0.199 73 E C 2.085 178.230 176.600 -0.757 0.000 1.011 73 E CA 1.481 57.151 56.400 -1.217 0.000 0.815 73 E CB -0.527 28.659 29.700 -0.857 0.000 0.755 73 E HN 0.480 nan 8.360 nan 0.000 0.451 74 G N 0.006 108.489 108.800 -0.529 0.000 2.440 74 G HA2 -0.268 3.692 3.960 0.000 0.000 0.218 74 G HA3 -0.268 3.692 3.960 0.000 0.000 0.218 74 G C 1.447 176.061 174.900 -0.476 0.000 1.154 74 G CA 0.879 45.702 45.100 -0.462 0.000 0.767 74 G HN 0.319 nan 8.290 nan 0.000 0.552 75 F N 1.427 121.037 119.950 -0.566 0.000 2.102 75 F HA -0.019 4.508 4.527 0.000 0.000 0.298 75 F C 3.200 178.426 175.800 -0.956 0.000 1.105 75 F CA 0.554 58.038 58.000 -0.860 0.000 1.239 75 F CB -0.049 38.399 39.000 -0.920 0.000 0.991 75 F HN 0.253 nan 8.300 nan 0.000 0.474 76 A N 0.342 122.593 122.820 -0.949 0.000 1.917 76 A HA -0.257 4.063 4.320 0.000 0.000 0.219 76 A C 2.084 179.550 177.584 -0.197 0.000 1.182 76 A CA 1.967 53.464 52.037 -0.900 0.000 0.633 76 A CB -0.643 18.162 19.000 -0.324 0.000 0.819 76 A HN 0.346 nan 8.150 nan 0.000 0.448 77 K N -0.524 119.759 120.400 -0.195 0.000 2.097 77 K HA 0.013 4.333 4.320 0.000 0.000 0.205 77 K C 2.342 178.951 176.600 0.016 0.000 1.050 77 K CA 0.963 57.224 56.287 -0.042 0.000 0.938 77 K CB -0.306 32.141 32.500 -0.088 0.000 0.718 77 K HN 0.449 nan 8.250 nan 0.000 0.442 78 A N 1.272 124.078 122.820 -0.023 0.000 1.877 78 A HA -0.186 4.134 4.320 0.000 0.000 0.216 78 A C 1.992 179.718 177.584 0.237 0.000 1.186 78 A CA 1.201 53.287 52.037 0.082 0.000 0.620 78 A CB -0.752 18.282 19.000 0.057 0.000 0.822 78 A HN 0.314 nan 8.150 nan 0.000 0.443 79 F N 1.453 121.487 119.950 0.139 0.000 2.161 79 F HA -0.183 4.344 4.527 0.000 0.000 0.300 79 F C 2.603 178.519 175.800 0.192 0.000 1.089 79 F CA 1.706 59.874 58.000 0.280 0.000 1.282 79 F CB -0.372 38.903 39.000 0.458 0.000 1.010 79 F HN 0.206 nan 8.300 nan 0.000 0.485 80 S N -0.108 115.722 115.700 0.216 0.000 2.355 80 S HA -0.174 4.296 4.470 0.000 0.000 0.222 80 S C 1.878 176.497 174.600 0.033 0.000 1.031 80 S CA 1.326 59.592 58.200 0.110 0.000 0.993 80 S CB -0.238 63.066 63.200 0.172 0.000 0.859 80 S HN 0.177 nan 8.310 nan 0.000 0.453 81 K N 1.487 121.929 120.400 0.070 0.000 2.103 81 K HA -0.055 4.265 4.320 0.000 0.000 0.207 81 K C 2.029 178.652 176.600 0.039 0.000 1.048 81 K CA 1.258 57.595 56.287 0.082 0.000 0.930 81 K CB -0.291 32.285 32.500 0.126 0.000 0.716 81 K HN 0.509 nan 8.250 nan 0.000 0.444 82 E N -0.291 119.910 120.200 0.001 0.000 2.152 82 E HA -0.110 4.240 4.350 0.000 0.000 0.192 82 E C 1.570 178.046 176.600 -0.206 0.000 0.983 82 E CA 0.439 56.796 56.400 -0.071 0.000 0.818 82 E CB 0.019 29.695 29.700 -0.040 0.000 0.758 82 E HN 0.031 nan 8.360 nan 0.000 0.467 83 L N 0.175 121.249 121.223 -0.247 0.000 2.201 83 L HA -0.094 4.246 4.340 0.000 0.000 0.212 83 L C 2.025 178.832 176.870 -0.105 0.000 1.105 83 L CA 1.097 55.796 54.840 -0.235 0.000 0.775 83 L CB -0.077 41.760 42.059 -0.371 0.000 0.913 83 L HN 0.109 nan 8.230 nan 0.000 0.440 84 V N -1.362 118.505 119.914 -0.078 0.000 2.725 84 V HA -0.022 4.098 4.120 0.000 0.000 0.247 84 V C 2.527 178.585 176.094 -0.059 0.000 1.058 84 V CA 1.049 63.328 62.300 -0.035 0.000 1.080 84 V CB -0.678 31.141 31.823 -0.007 0.000 0.713 84 V HN 0.443 nan 8.190 nan 0.000 0.465 85 A N 0.081 122.856 122.820 -0.074 0.000 1.898 85 A HA -0.157 4.163 4.320 0.000 0.000 0.216 85 A C 2.297 179.775 177.584 -0.176 0.000 1.181 85 A CA 1.669 53.664 52.037 -0.069 0.000 0.620 85 A CB -0.275 18.720 19.000 -0.008 0.000 0.819 85 A HN 0.489 nan 8.150 nan 0.000 0.442 86 K N -1.743 118.439 120.400 -0.364 0.000 2.098 86 K HA 0.099 4.419 4.320 0.000 0.000 0.203 86 K C 0.736 176.926 176.600 -0.682 0.000 1.051 86 K CA 1.209 57.103 56.287 -0.654 0.000 0.957 86 K CB -0.064 31.756 32.500 -1.132 0.000 0.738 86 K HN 0.580 nan 8.250 nan 0.000 0.447 87 F N 0.236 120.146 119.950 -0.068 0.000 2.706 87 F HA 0.235 4.762 4.527 0.000 0.000 0.313 87 F C 0.266 176.040 175.800 -0.044 0.000 1.096 87 F CA -0.601 57.364 58.000 -0.059 0.000 1.219 87 F CB 0.415 39.365 39.000 -0.083 0.000 1.051 87 F HN -0.054 nan 8.300 nan 0.000 0.568 88 N N 0.609 119.349 118.700 0.067 0.000 2.857 88 N HA -0.215 4.525 4.740 0.000 0.000 0.242 88 N C 0.083 175.626 175.510 0.055 0.000 0.983 88 N CA 0.626 53.701 53.050 0.042 0.000 0.934 88 N CB -1.393 37.117 38.487 0.039 0.000 1.115 88 N HN 0.303 nan 8.380 nan 0.000 0.593 89 L N 1.129 122.405 121.223 0.090 0.000 2.554 89 L HA -0.064 4.276 4.340 0.000 0.000 0.293 89 L C 1.159 178.063 176.870 0.058 0.000 1.252 89 L CA 0.383 55.269 54.840 0.077 0.000 0.862 89 L CB 0.106 42.213 42.059 0.080 0.000 1.113 89 L HN 0.125 nan 8.230 nan 0.000 0.510 90 N N 2.534 121.271 118.700 0.061 0.000 2.602 90 N HA 0.240 4.980 4.740 0.000 0.000 0.238 90 N C -0.869 174.690 175.510 0.081 0.000 1.084 90 N CA -0.346 52.733 53.050 0.049 0.000 0.952 90 N CB 0.576 39.083 38.487 0.033 0.000 1.244 90 N HN 0.241 nan 8.380 nan 0.000 0.512 91 V N 3.558 123.527 119.914 0.092 0.000 2.686 91 V HA 0.332 4.452 4.120 0.000 0.000 0.295 91 V C 0.575 176.739 176.094 0.117 0.000 1.057 91 V CA -0.660 61.731 62.300 0.152 0.000 1.012 91 V CB 1.385 33.311 31.823 0.172 0.000 1.006 91 V HN 0.643 nan 8.190 nan 0.000 0.477 92 M N 4.499 124.180 119.600 0.135 0.000 2.167 92 M HA 0.470 4.950 4.480 0.000 0.000 0.333 92 M C -1.059 175.318 176.300 0.128 0.000 1.030 92 M CA -0.229 55.118 55.300 0.078 0.000 0.963 92 M CB 1.020 33.622 32.600 0.004 0.000 1.589 92 M HN 0.743 nan 8.290 nan 0.000 0.431 93 C N 5.731 125.111 119.300 0.134 0.000 2.317 93 C HA 0.853 5.313 4.460 0.000 0.000 0.306 93 C C 0.064 175.162 174.990 0.179 0.000 1.087 93 C CA -0.287 58.856 59.018 0.208 0.000 1.529 93 C CB -0.927 26.956 27.740 0.238 0.000 1.880 93 C HN 0.887 nan 8.230 nan 0.000 0.417 94 A N 4.076 126.944 122.820 0.081 0.000 2.325 94 A HA 0.632 4.952 4.320 0.000 0.000 0.333 94 A C -0.567 176.843 177.584 -0.290 0.000 1.155 94 A CA -0.312 51.732 52.037 0.011 0.000 0.814 94 A CB 0.753 19.685 19.000 -0.114 0.000 1.206 94 A HN 0.791 nan 8.150 nan 0.000 0.482 95 D N 2.161 122.360 120.400 -0.334 0.000 2.316 95 D HA 0.124 4.764 4.640 0.000 0.000 0.245 95 D C 0.924 177.102 176.300 -0.203 0.000 1.171 95 D CA -0.161 53.401 54.000 -0.730 0.000 0.856 95 D CB 1.346 41.896 40.800 -0.416 0.000 1.090 95 D HN 0.112 nan 8.370 nan 0.000 0.476 96 V N 3.850 123.581 119.914 -0.305 0.000 3.207 96 V HA -0.231 3.889 4.120 0.000 0.000 0.273 96 V C 1.814 177.950 176.094 0.071 0.000 1.182 96 V CA 2.404 64.575 62.300 -0.214 0.000 1.186 96 V CB -0.829 30.453 31.823 -0.901 0.000 0.801 96 V HN 0.726 nan 8.190 nan 0.000 0.548 97 E N -1.512 118.709 120.200 0.035 0.000 2.481 97 E HA 0.028 4.378 4.350 0.000 0.000 0.198 97 E C 0.974 177.585 176.600 0.018 0.000 1.027 97 E CA 0.142 56.582 56.400 0.065 0.000 0.900 97 E CB 0.015 29.733 29.700 0.030 0.000 0.993 97 E HN 0.499 nan 8.360 nan 0.000 0.482 98 N N 0.137 118.815 118.700 -0.036 0.000 2.275 98 N HA 0.176 4.916 4.740 0.000 0.000 0.236 98 N C -1.417 173.632 175.510 -0.769 0.000 1.154 98 N CA 0.096 52.922 53.050 -0.374 0.000 0.866 98 N CB 0.373 38.553 38.487 -0.512 0.000 1.093 98 N HN 0.167 nan 8.380 nan 0.000 0.515 99 Y N -0.695 119.584 120.300 -0.034 0.000 2.670 99 Y HA 0.309 4.859 4.550 0.000 0.000 0.334 99 Y C -0.766 174.998 175.900 -0.227 0.000 1.185 99 Y CA -1.199 56.765 58.100 -0.226 0.000 1.053 99 Y CB 1.402 39.566 38.460 -0.494 0.000 1.298 99 Y HN -0.179 nan 8.280 nan 0.000 0.459 100 D N 1.749 122.039 120.400 -0.184 0.000 2.460 100 D HA 0.234 4.874 4.640 0.000 0.000 0.232 100 D C -0.446 175.634 176.300 -0.367 0.000 1.079 100 D CA -0.172 53.742 54.000 -0.143 0.000 0.864 100 D CB 0.554 41.312 40.800 -0.070 0.000 1.048 100 D HN 0.383 nan 8.370 nan 0.000 0.523 101 F N 1.064 120.855 119.950 -0.265 0.000 2.733 101 F HA 0.010 4.537 4.527 0.000 0.000 0.301 101 F C 1.886 177.014 175.800 -1.120 0.000 1.240 101 F CA 0.202 57.831 58.000 -0.619 0.000 1.432 101 F CB -0.186 38.434 39.000 -0.633 0.000 1.089 101 F HN 0.195 nan 8.300 nan 0.000 0.533 102 E N 0.030 119.955 120.200 -0.458 0.000 2.106 102 E HA -0.146 4.204 4.350 0.000 0.000 0.192 102 E C 2.023 178.608 176.600 -0.025 0.000 0.984 102 E CA 1.391 57.715 56.400 -0.126 0.000 0.806 102 E CB -0.228 29.494 29.700 0.037 0.000 0.750 102 E HN 0.270 nan 8.360 nan 0.000 0.458 103 S N 0.230 115.871 115.700 -0.099 0.000 2.685 103 S HA 0.157 4.627 4.470 0.000 0.000 0.240 103 S C 1.430 176.013 174.600 -0.030 0.000 0.967 103 S CA -0.269 57.909 58.200 -0.037 0.000 1.009 103 S CB -0.204 62.961 63.200 -0.059 0.000 0.776 103 S HN 0.161 nan 8.310 nan 0.000 0.467 104 L N 1.538 122.754 121.223 -0.012 0.000 2.083 104 L HA -0.065 4.275 4.340 0.000 0.000 0.209 104 L C 2.213 179.152 176.870 0.114 0.000 1.083 104 L CA 1.353 56.240 54.840 0.077 0.000 0.752 104 L CB -0.467 41.714 42.059 0.204 0.000 0.899 104 L HN 0.530 nan 8.230 nan 0.000 0.433 105 N N -0.675 118.108 118.700 0.138 0.000 2.521 105 N HA -0.121 4.619 4.740 0.000 0.000 0.188 105 N C 0.256 175.804 175.510 0.063 0.000 1.146 105 N CA 0.168 53.282 53.050 0.107 0.000 0.893 105 N CB 0.291 38.846 38.487 0.112 0.000 0.975 105 N HN 0.314 nan 8.380 nan 0.000 0.451 106 D N 0.048 120.474 120.400 0.043 0.000 2.395 106 D HA 0.067 4.707 4.640 0.000 0.000 0.213 106 D C -0.268 176.036 176.300 0.008 0.000 1.110 106 D CA 0.086 54.099 54.000 0.021 0.000 0.835 106 D CB 0.830 41.636 40.800 0.010 0.000 0.965 106 D HN -0.030 nan 8.370 nan 0.000 0.505 107 V N 3.854 123.775 119.914 0.012 0.000 2.439 107 V HA 0.090 4.210 4.120 0.000 0.000 0.271 107 V C -1.080 175.017 176.094 0.005 0.000 1.040 107 V CA -0.743 61.556 62.300 -0.002 0.000 1.002 107 V CB 1.307 33.130 31.823 -0.000 0.000 1.000 107 V HN 0.018 nan 8.190 nan 0.000 0.477 108 P HA 0.079 nan 4.420 nan 0.000 0.253 108 P C -0.049 177.251 177.300 -0.000 0.000 1.260 108 P CA 0.410 63.511 63.100 0.002 0.000 0.800 108 P CB 0.366 32.066 31.700 -0.000 0.000 1.162 109 V N -3.218 116.689 119.914 -0.012 0.000 2.960 109 V HA 0.501 4.621 4.120 0.000 0.000 0.315 109 V C 0.188 176.242 176.094 -0.067 0.000 1.087 109 V CA -1.650 60.636 62.300 -0.023 0.000 0.982 109 V CB 2.025 33.833 31.823 -0.025 0.000 1.039 109 V HN -0.242 nan 8.190 nan 0.000 0.437 110 I N 1.904 122.418 120.570 -0.093 0.000 2.754 110 I HA 0.302 4.472 4.170 0.000 0.000 0.285 110 I C -0.361 175.484 176.117 -0.453 0.000 1.166 110 I CA -0.027 61.189 61.300 -0.139 0.000 1.417 110 I CB 1.433 39.461 38.000 0.047 0.000 1.382 110 I HN 0.468 nan 8.210 nan 0.000 0.588 111 V N 4.773 124.568 119.914 -0.197 0.000 2.487 111 V HA 0.281 4.401 4.120 0.000 0.000 0.298 111 V C -0.169 175.982 176.094 0.094 0.000 1.028 111 V CA -0.526 61.692 62.300 -0.138 0.000 0.860 111 V CB 1.701 33.556 31.823 0.053 0.000 0.991 111 V HN 0.709 nan 8.190 nan 0.000 0.427 112 S N 5.259 121.063 115.700 0.174 0.000 2.462 112 S HA 0.721 5.191 4.470 0.000 0.000 0.294 112 S C -0.419 174.310 174.600 0.216 0.000 1.144 112 S CA -0.357 58.040 58.200 0.328 0.000 1.088 112 S CB 0.827 64.429 63.200 0.670 0.000 1.009 112 S HN 0.547 nan 8.310 nan 0.000 0.484 113 I N 3.588 124.189 120.570 0.051 0.000 2.410 113 I HA 0.379 4.550 4.170 0.000 0.000 0.286 113 I C -1.361 174.656 176.117 -0.168 0.000 1.009 113 I CA -0.467 60.864 61.300 0.051 0.000 1.111 113 I CB 1.147 39.226 38.000 0.132 0.000 1.262 113 I HN 0.471 nan 8.210 nan 0.000 0.443 114 F N 7.244 127.270 119.950 0.127 0.000 2.361 114 F HA 0.540 5.067 4.527 0.000 0.000 0.364 114 F C 0.069 175.914 175.800 0.075 0.000 1.120 114 F CA -0.513 57.556 58.000 0.115 0.000 1.102 114 F CB 1.133 40.245 39.000 0.188 0.000 1.183 114 F HN 0.297 nan 8.300 nan 0.000 0.476 115 I N 2.105 122.725 120.570 0.082 0.000 2.545 115 I HA 0.515 4.685 4.170 0.000 0.000 0.292 115 I C -0.499 175.576 176.117 -0.070 0.000 1.040 115 I CA -0.042 61.234 61.300 -0.040 0.000 1.068 115 I CB 1.483 39.340 38.000 -0.238 0.000 1.251 115 I HN 0.457 nan 8.210 nan 0.000 0.424 116 S N 3.239 118.933 115.700 -0.011 0.000 2.758 116 S HA 0.643 5.113 4.470 0.000 0.000 0.292 116 S C -0.710 173.891 174.600 0.003 0.000 1.131 116 S CA -0.482 57.736 58.200 0.031 0.000 0.997 116 S CB 1.850 65.177 63.200 0.212 0.000 1.111 116 S HN 0.683 nan 8.310 nan 0.000 0.552 117 T N 1.387 115.928 114.554 -0.021 0.000 2.886 117 T HA 0.665 5.015 4.350 0.000 0.000 0.292 117 T C -1.672 172.910 174.700 -0.198 0.000 1.012 117 T CA -0.277 61.796 62.100 -0.045 0.000 0.982 117 T CB 0.696 69.478 68.868 -0.142 0.000 1.018 117 T HN 0.445 nan 8.240 nan 0.000 0.451 118 Y N 0.250 120.508 120.300 -0.070 0.000 2.644 118 Y HA 0.624 5.174 4.550 0.000 0.000 0.338 118 Y C 1.116 177.000 175.900 -0.028 0.000 1.119 118 Y CA -0.159 57.893 58.100 -0.081 0.000 1.060 118 Y CB 1.184 39.619 38.460 -0.042 0.000 1.294 118 Y HN 1.008 nan 8.280 nan 0.000 0.472 119 G N 0.977 109.846 108.800 0.116 0.000 2.549 119 G HA2 -0.281 3.679 3.960 0.000 0.000 0.338 119 G HA3 -0.281 3.679 3.960 0.000 0.000 0.338 119 G C -0.276 174.629 174.900 0.009 0.000 1.342 119 G CA 0.126 45.274 45.100 0.080 0.000 0.935 119 G HN 0.692 nan 8.290 nan 0.000 0.534 120 E N 0.829 121.016 120.200 -0.021 0.000 2.467 120 E HA 0.319 4.669 4.350 0.000 0.000 0.264 120 E C 1.266 177.952 176.600 0.143 0.000 1.020 120 E CA 0.282 56.632 56.400 -0.084 0.000 0.945 120 E CB 0.043 29.740 29.700 -0.006 0.000 0.942 120 E HN 1.000 nan 8.360 nan 0.000 0.449 121 G N 3.971 112.989 108.800 0.364 0.000 2.406 121 G HA2 -0.154 3.806 3.960 0.000 0.000 0.291 121 G HA3 -0.154 3.806 3.960 0.000 0.000 0.291 121 G C -0.433 174.616 174.900 0.248 0.000 0.640 121 G CA 0.423 45.705 45.100 0.303 0.000 2.035 121 G HN 0.396 nan 8.290 nan 0.000 0.489 122 D N 0.041 120.582 120.400 0.236 0.000 2.552 122 D HA 0.421 5.061 4.640 0.000 0.000 0.239 122 D C 0.208 176.758 176.300 0.418 0.000 1.139 122 D CA -0.558 53.645 54.000 0.339 0.000 0.914 122 D CB 1.163 42.096 40.800 0.222 0.000 1.461 122 D HN 0.009 nan 8.370 nan 0.000 0.462 123 F N 0.486 120.476 119.950 0.066 0.000 2.480 123 F HA 0.261 4.788 4.527 0.000 0.000 0.319 123 F C -1.581 174.260 175.800 0.068 0.000 1.230 123 F CA -1.744 56.306 58.000 0.082 0.000 1.285 123 F CB -0.763 38.281 39.000 0.073 0.000 1.208 123 F HN -0.106 nan 8.300 nan 0.000 0.579 124 P HA 0.193 nan 4.420 nan 0.000 0.287 124 P C -1.266 176.039 177.300 0.009 0.000 1.281 124 P CA -0.512 62.562 63.100 -0.043 0.000 0.781 124 P CB 0.409 32.004 31.700 -0.175 0.000 0.903 125 D N 2.240 122.625 120.400 -0.026 0.000 2.563 125 D HA 0.231 4.871 4.640 0.000 0.000 0.229 125 D C 1.516 177.832 176.300 0.027 0.000 1.159 125 D CA 1.687 55.699 54.000 0.019 0.000 0.869 125 D CB -0.214 40.595 40.800 0.014 0.000 1.203 125 D HN 0.691 nan 8.370 nan 0.000 0.478 126 G N 0.216 109.049 108.800 0.054 0.000 2.137 126 G HA2 0.005 3.965 3.960 0.000 0.000 0.237 126 G HA3 0.005 3.965 3.960 0.000 0.000 0.237 126 G C 0.501 175.447 174.900 0.077 0.000 1.002 126 G CA 0.300 45.435 45.100 0.059 0.000 0.702 126 G HN 1.136 nan 8.290 nan 0.000 0.515 127 A N -1.789 121.097 122.820 0.110 0.000 2.431 127 A HA 0.555 4.875 4.320 0.000 0.000 0.221 127 A C 1.597 179.296 177.584 0.192 0.000 1.291 127 A CA 1.237 53.380 52.037 0.175 0.000 1.135 127 A CB -0.187 18.939 19.000 0.210 0.000 1.095 127 A HN 1.050 nan 8.150 nan 0.000 0.461 128 V N 1.263 121.241 119.914 0.107 0.000 2.490 128 V HA -0.247 3.873 4.120 0.000 0.000 0.250 128 V C 2.349 178.456 176.094 0.022 0.000 1.061 128 V CA 2.179 64.500 62.300 0.035 0.000 1.064 128 V CB -0.859 30.982 31.823 0.029 0.000 0.670 128 V HN 0.627 nan 8.190 nan 0.000 0.461 129 N N 0.443 119.198 118.700 0.092 0.000 2.028 129 N HA -0.206 4.534 4.740 0.000 0.000 0.194 129 N C 1.859 177.456 175.510 0.144 0.000 1.050 129 N CA 1.914 55.036 53.050 0.120 0.000 0.848 129 N CB -0.631 37.958 38.487 0.170 0.000 1.038 129 N HN 0.480 nan 8.380 nan 0.000 0.423 130 F N 2.377 122.336 119.950 0.016 0.000 2.087 130 F HA -0.246 4.281 4.527 0.000 0.000 0.299 130 F C 2.551 178.288 175.800 -0.106 0.000 1.100 130 F CA 1.821 59.763 58.000 -0.097 0.000 1.226 130 F CB -0.458 38.400 39.000 -0.236 0.000 0.983 130 F HN 0.183 nan 8.300 nan 0.000 0.479 131 E N -0.139 119.902 120.200 -0.265 0.000 2.058 131 E HA -0.255 4.095 4.350 0.000 0.000 0.194 131 E C 1.961 178.189 176.600 -0.619 0.000 0.997 131 E CA 1.747 57.646 56.400 -0.835 0.000 0.801 131 E CB -0.298 28.858 29.700 -0.908 0.000 0.746 131 E HN 0.452 nan 8.360 nan 0.000 0.450 132 D N -0.131 120.075 120.400 -0.324 0.000 2.144 132 D HA -0.167 4.473 4.640 0.000 0.000 0.199 132 D C 1.753 177.944 176.300 -0.182 0.000 0.984 132 D CA 0.800 54.667 54.000 -0.223 0.000 0.834 132 D CB -0.349 40.394 40.800 -0.095 0.000 0.955 132 D HN 0.226 nan 8.370 nan 0.000 0.465 133 F N 1.692 121.499 119.950 -0.238 0.000 2.095 133 F HA -0.147 4.380 4.527 0.000 0.000 0.298 133 F C 2.220 177.870 175.800 -0.250 0.000 1.104 133 F CA 1.173 59.068 58.000 -0.175 0.000 1.232 133 F CB -0.313 38.628 39.000 -0.099 0.000 0.987 133 F HN -0.156 nan 8.300 nan 0.000 0.475 134 I N -0.691 119.612 120.570 -0.445 0.000 2.315 134 I HA -0.306 3.864 4.170 0.000 0.000 0.248 134 I C 2.042 177.874 176.117 -0.475 0.000 1.117 134 I CA 1.074 62.071 61.300 -0.505 0.000 1.404 134 I CB -0.536 37.136 38.000 -0.547 0.000 1.071 134 I HN 0.231 nan 8.210 nan 0.000 0.419 135 C N 0.957 119.905 119.300 -0.587 0.000 2.562 135 C HA 0.081 4.541 4.460 0.000 0.000 0.266 135 C C 1.469 176.335 174.990 -0.207 0.000 1.382 135 C CA 0.125 58.716 59.018 -0.711 0.000 1.742 135 C CB -1.399 25.862 27.740 -0.797 0.000 1.812 135 C HN 0.489 nan 8.230 nan 0.000 0.559 136 N N 1.003 119.561 118.700 -0.237 0.000 2.351 136 N HA 0.233 4.973 4.740 0.000 0.000 0.254 136 N C -0.091 175.286 175.510 -0.221 0.000 1.241 136 N CA 0.083 53.035 53.050 -0.163 0.000 0.883 136 N CB 0.499 38.900 38.487 -0.145 0.000 1.202 136 N HN 0.391 nan 8.380 nan 0.000 0.512 137 A N 0.827 123.487 122.820 -0.267 0.000 2.320 137 A HA 0.303 4.623 4.320 0.000 0.000 0.287 137 A C 0.509 177.999 177.584 -0.157 0.000 1.181 137 A CA -0.292 51.557 52.037 -0.314 0.000 0.831 137 A CB 0.809 19.578 19.000 -0.384 0.000 1.102 137 A HN 0.171 nan 8.150 nan 0.000 0.513 138 E N 1.261 121.382 120.200 -0.131 0.000 2.345 138 E HA 0.452 4.802 4.350 0.000 0.000 0.259 138 E C 0.514 177.074 176.600 -0.067 0.000 1.117 138 E CA -0.348 56.004 56.400 -0.080 0.000 0.913 138 E CB 0.816 30.479 29.700 -0.060 0.000 1.057 138 E HN 0.822 nan 8.360 nan 0.000 0.432 139 A N 0.733 123.523 122.820 -0.051 0.000 2.555 139 A HA 0.314 4.634 4.320 0.000 0.000 0.233 139 A C 1.195 178.763 177.584 -0.028 0.000 1.060 139 A CA 0.641 52.655 52.037 -0.038 0.000 0.759 139 A CB -0.653 18.328 19.000 -0.032 0.000 0.995 139 A HN 0.847 nan 8.150 nan 0.000 0.506 140 G N 0.193 108.983 108.800 -0.017 0.000 2.258 140 G HA2 0.019 3.979 3.960 0.000 0.000 0.274 140 G HA3 0.019 3.979 3.960 0.000 0.000 0.274 140 G C 0.809 175.707 174.900 -0.003 0.000 1.021 140 G CA 0.986 46.083 45.100 -0.005 0.000 0.798 140 G HN 2.062 nan 8.290 nan 0.000 0.507 141 A N -1.069 121.741 122.820 -0.017 0.000 2.220 141 A HA 0.645 4.965 4.320 0.000 0.000 0.211 141 A C 1.433 179.029 177.584 0.020 0.000 1.176 141 A CA 1.036 53.064 52.037 -0.014 0.000 0.834 141 A CB 0.252 19.210 19.000 -0.069 0.000 0.868 141 A HN 0.835 nan 8.150 nan 0.000 0.488 142 L N -0.434 120.803 121.223 0.023 0.000 3.186 142 L HA 0.175 4.515 4.340 0.000 0.000 0.317 142 L C 1.031 177.937 176.870 0.059 0.000 1.296 142 L CA -0.175 54.700 54.840 0.058 0.000 0.870 142 L CB 0.626 42.714 42.059 0.048 0.000 1.302 142 L HN 0.118 nan 8.230 nan 0.000 0.590 143 S N 0.319 116.047 115.700 0.047 0.000 2.400 143 S HA -0.115 4.355 4.470 0.000 0.000 0.232 143 S C 1.595 176.227 174.600 0.053 0.000 1.025 143 S CA 1.422 59.649 58.200 0.045 0.000 0.993 143 S CB -0.066 63.153 63.200 0.032 0.000 0.808 143 S HN 0.562 nan 8.310 nan 0.000 0.478 144 N N 0.763 119.498 118.700 0.057 0.000 2.424 144 N HA 0.097 4.837 4.740 0.000 0.000 0.178 144 N C 0.220 175.774 175.510 0.073 0.000 1.060 144 N CA 0.061 53.144 53.050 0.056 0.000 0.901 144 N CB -0.293 38.222 38.487 0.047 0.000 0.979 144 N HN 0.279 nan 8.380 nan 0.000 0.451 145 L N 2.729 124.009 121.223 0.096 0.000 2.565 145 L HA 0.079 4.419 4.340 0.000 0.000 0.275 145 L C -0.070 176.914 176.870 0.191 0.000 1.137 145 L CA 0.143 55.060 54.840 0.130 0.000 0.915 145 L CB -0.175 41.962 42.059 0.129 0.000 1.232 145 L HN -0.089 nan 8.230 nan 0.000 0.473 146 R N 5.595 126.192 120.500 0.162 0.000 2.265 146 R HA 0.576 4.916 4.340 0.000 0.000 0.319 146 R C -1.215 175.221 176.300 0.227 0.000 1.006 146 R CA -0.370 55.822 56.100 0.154 0.000 0.880 146 R CB 1.182 31.528 30.300 0.077 0.000 1.077 146 R HN 0.680 nan 8.270 nan 0.000 0.454 147 Y N -0.137 120.199 120.300 0.059 0.000 2.670 147 Y HA 0.575 5.125 4.550 0.000 0.000 0.334 147 Y C -1.868 174.094 175.900 0.103 0.000 1.185 147 Y CA -1.774 56.372 58.100 0.076 0.000 1.053 147 Y CB 1.378 39.886 38.460 0.079 0.000 1.298 147 Y HN 0.691 nan 8.280 nan 0.000 0.459 148 N N 1.818 120.525 118.700 0.012 0.000 2.331 148 N HA 0.646 5.386 4.740 0.000 0.000 0.280 148 N C -1.522 174.124 175.510 0.227 0.000 1.155 148 N CA -0.891 52.157 53.050 -0.003 0.000 0.822 148 N CB 2.676 41.236 38.487 0.123 0.000 1.619 148 N HN 1.131 nan 8.380 nan 0.000 0.476 149 M N 0.117 119.834 119.600 0.195 0.000 2.531 149 M HA 0.626 5.106 4.480 0.000 0.000 0.286 149 M C -1.958 174.126 176.300 -0.359 0.000 1.232 149 M CA -0.914 54.365 55.300 -0.035 0.000 0.877 149 M CB 2.388 35.036 32.600 0.080 0.000 1.726 149 M HN 0.600 nan 8.290 nan 0.000 0.463 150 F N 1.945 121.292 119.950 -1.005 0.000 2.460 150 F HA 0.809 5.336 4.527 0.000 0.000 0.341 150 F C -0.422 175.028 175.800 -0.584 0.000 1.130 150 F CA -0.168 57.084 58.000 -1.248 0.000 0.962 150 F CB 1.616 39.539 39.000 -1.795 0.000 1.171 150 F HN 0.755 nan 8.300 nan 0.000 0.436 151 G N 6.265 114.485 108.800 -0.966 0.000 2.379 151 G HA2 0.589 4.549 3.960 0.000 0.000 0.327 151 G HA3 0.589 4.549 3.960 0.000 0.000 0.327 151 G C -1.782 172.692 174.900 -0.710 0.000 1.145 151 G CA -0.693 44.023 45.100 -0.640 0.000 0.905 151 G HN 0.534 nan 8.290 nan 0.000 0.466 152 L N 1.663 122.680 121.223 -0.343 0.000 2.295 152 L HA 0.781 5.121 4.340 0.000 0.000 0.285 152 L C 0.858 177.633 176.870 -0.158 0.000 1.035 152 L CA 0.170 54.901 54.840 -0.182 0.000 0.806 152 L CB 1.641 43.739 42.059 0.066 0.000 1.214 152 L HN 0.751 nan 8.230 nan 0.000 0.426 153 G N 1.317 110.075 108.800 -0.070 0.000 2.870 153 G HA2 0.441 4.401 3.960 0.000 0.000 0.299 153 G HA3 0.441 4.401 3.960 0.000 0.000 0.299 153 G C -1.547 173.535 174.900 0.302 0.000 1.324 153 G CA -0.370 44.761 45.100 0.052 0.000 0.808 153 G HN 0.388 nan 8.290 nan 0.000 0.535 154 N N -0.251 118.726 118.700 0.463 0.000 2.699 154 N HA 0.102 4.842 4.740 0.000 0.000 0.271 154 N C 0.893 176.426 175.510 0.038 0.000 1.216 154 N CA 0.223 53.412 53.050 0.232 0.000 0.844 154 N CB 1.619 40.259 38.487 0.255 0.000 1.462 154 N HN 0.467 nan 8.380 nan 0.000 0.555 155 S N 0.588 115.860 115.700 -0.714 0.000 2.571 155 S HA -0.090 4.380 4.470 0.000 0.000 0.245 155 S C 1.341 175.769 174.600 -0.288 0.000 0.976 155 S CA 0.918 58.551 58.200 -0.946 0.000 0.954 155 S CB -0.174 62.347 63.200 -1.132 0.000 0.756 155 S HN 0.464 nan 8.310 nan 0.000 0.535 156 T N 0.657 115.150 114.554 -0.102 0.000 3.043 156 T HA 0.200 4.550 4.350 0.000 0.000 0.263 156 T C -0.024 174.601 174.700 -0.125 0.000 1.094 156 T CA 0.525 62.556 62.100 -0.116 0.000 1.127 156 T CB -0.161 68.616 68.868 -0.153 0.000 0.905 156 T HN 0.506 nan 8.240 nan 0.000 0.490 157 Y N 1.503 121.775 120.300 -0.046 0.000 2.408 157 Y HA 0.458 5.008 4.550 0.000 0.000 0.324 157 Y C 0.765 176.705 175.900 0.067 0.000 1.302 157 Y CA -1.306 56.794 58.100 -0.001 0.000 1.384 157 Y CB 0.638 39.104 38.460 0.011 0.000 1.367 157 Y HN -0.026 nan 8.280 nan 0.000 0.525 158 E N 0.532 120.896 120.200 0.274 0.000 2.242 158 E HA 0.341 4.691 4.350 0.000 0.000 0.275 158 E C -1.454 175.504 176.600 0.597 0.000 1.002 158 E CA -0.553 56.065 56.400 0.363 0.000 0.841 158 E CB 0.649 30.511 29.700 0.269 0.000 1.109 158 E HN 0.479 nan 8.360 nan 0.000 0.394 159 F N 0.819 120.837 119.950 0.113 0.000 2.912 159 F HA -0.197 4.330 4.527 0.000 0.000 0.349 159 F C -0.251 175.620 175.800 0.118 0.000 0.986 159 F CA -0.150 57.901 58.000 0.086 0.000 1.216 159 F CB -2.285 36.748 39.000 0.055 0.000 1.406 159 F HN 0.509 nan 8.300 nan 0.000 0.709 160 F N 3.402 123.429 119.950 0.128 0.000 2.506 160 F HA 0.213 4.740 4.527 0.000 0.000 0.369 160 F C 1.405 177.197 175.800 -0.013 0.000 1.114 160 F CA 0.517 58.546 58.000 0.048 0.000 1.121 160 F CB 0.060 39.080 39.000 0.033 0.000 1.104 160 F HN 0.394 nan 8.300 nan 0.000 0.564 161 N N 3.766 122.266 118.700 -0.332 0.000 2.747 161 N HA -0.177 4.563 4.740 0.000 0.000 0.249 161 N C 1.134 176.473 175.510 -0.286 0.000 1.107 161 N CA 0.669 53.425 53.050 -0.491 0.000 0.707 161 N CB -1.004 36.913 38.487 -0.950 0.000 1.054 161 N HN 0.938 nan 8.380 nan 0.000 0.555 162 G N -0.490 108.247 108.800 -0.104 0.000 2.509 162 G HA2 0.049 4.009 3.960 0.000 0.000 0.218 162 G HA3 0.049 4.009 3.960 0.000 0.000 0.218 162 G C 1.538 176.435 174.900 -0.005 0.000 1.124 162 G CA 1.292 46.378 45.100 -0.023 0.000 0.776 162 G HN 0.565 nan 8.290 nan 0.000 0.547 163 A N 1.193 123.978 122.820 -0.059 0.000 1.872 163 A HA 0.392 4.712 4.320 0.000 0.000 0.214 163 A C 2.804 180.223 177.584 -0.276 0.000 1.187 163 A CA 1.915 53.880 52.037 -0.122 0.000 0.614 163 A CB -0.777 18.070 19.000 -0.255 0.000 0.826 163 A HN 0.646 nan 8.150 nan 0.000 0.442 164 A N -0.007 122.638 122.820 -0.292 0.000 1.902 164 A HA -0.159 4.161 4.320 0.000 0.000 0.217 164 A C 2.103 179.607 177.584 -0.134 0.000 1.181 164 A CA 1.838 53.720 52.037 -0.258 0.000 0.623 164 A CB -0.439 18.384 19.000 -0.296 0.000 0.818 164 A HN 0.544 nan 8.150 nan 0.000 0.443 165 K N -0.327 119.999 120.400 -0.124 0.000 2.026 165 K HA -0.179 4.141 4.320 0.000 0.000 0.208 165 K C 2.242 178.855 176.600 0.022 0.000 1.048 165 K CA 1.715 57.962 56.287 -0.065 0.000 0.929 165 K CB -0.188 32.256 32.500 -0.094 0.000 0.713 165 K HN 0.504 nan 8.250 nan 0.000 0.439 166 K N 0.955 121.400 120.400 0.075 0.000 2.009 166 K HA -0.170 4.150 4.320 0.000 0.000 0.210 166 K C 2.178 178.935 176.600 0.261 0.000 1.049 166 K CA 1.451 57.855 56.287 0.194 0.000 0.929 166 K CB -0.194 32.456 32.500 0.250 0.000 0.714 166 K HN 0.146 nan 8.250 nan 0.000 0.440 167 A N 1.406 124.371 122.820 0.242 0.000 1.948 167 A HA -0.225 4.095 4.320 0.000 0.000 0.220 167 A C 2.107 179.762 177.584 0.118 0.000 1.177 167 A CA 1.837 54.012 52.037 0.229 0.000 0.636 167 A CB -0.587 18.524 19.000 0.185 0.000 0.815 167 A HN 0.488 nan 8.150 nan 0.000 0.449 168 E N 0.006 120.267 120.200 0.103 0.000 2.107 168 E HA -0.184 4.166 4.350 0.000 0.000 0.191 168 E C 2.059 178.727 176.600 0.112 0.000 0.982 168 E CA 1.312 57.791 56.400 0.131 0.000 0.809 168 E CB -0.213 29.553 29.700 0.110 0.000 0.756 168 E HN 0.686 nan 8.360 nan 0.000 0.459 169 K N -0.241 120.214 120.400 0.092 0.000 2.057 169 K HA -0.169 4.151 4.320 0.000 0.000 0.207 169 K C 2.055 178.644 176.600 -0.019 0.000 1.049 169 K CA 1.219 57.523 56.287 0.027 0.000 0.931 169 K CB -0.145 32.356 32.500 0.003 0.000 0.714 169 K HN 0.292 nan 8.250 nan 0.000 0.440 170 H N 0.331 119.382 119.070 -0.031 0.000 2.363 170 H HA -0.046 4.510 4.556 0.000 0.000 0.301 170 H C 2.342 177.617 175.328 -0.087 0.000 1.074 170 H CA 1.362 57.366 56.048 -0.073 0.000 1.354 170 H CB 0.039 29.735 29.762 -0.110 0.000 1.397 170 H HN 0.141 nan 8.280 nan 0.000 0.516 171 L N 0.833 122.077 121.223 0.034 0.000 1.989 171 L HA -0.231 4.109 4.340 0.000 0.000 0.211 171 L C 2.973 179.856 176.870 0.022 0.000 1.071 171 L CA 1.637 56.441 54.840 -0.060 0.000 0.749 171 L CB -0.599 41.305 42.059 -0.258 0.000 0.890 171 L HN 0.302 nan 8.230 nan 0.000 0.431 172 S N 0.418 116.168 115.700 0.084 0.000 2.359 172 S HA -0.272 4.198 4.470 0.000 0.000 0.222 172 S C 2.203 176.822 174.600 0.032 0.000 1.038 172 S CA 1.103 59.358 58.200 0.093 0.000 1.051 172 S CB -0.839 62.408 63.200 0.078 0.000 0.944 172 S HN 0.354 nan 8.310 nan 0.000 0.433 173 A N 1.766 124.581 122.820 -0.008 0.000 2.084 173 A HA 0.274 4.594 4.320 0.000 0.000 0.221 173 A C 2.155 179.717 177.584 -0.036 0.000 1.161 173 A CA 1.644 53.657 52.037 -0.041 0.000 0.653 173 A CB -1.178 17.764 19.000 -0.096 0.000 0.802 173 A HN 1.143 nan 8.150 nan 0.000 0.457 174 A N -1.499 121.303 122.820 -0.030 0.000 2.411 174 A HA 0.460 4.780 4.320 0.000 0.000 0.251 174 A C 1.493 179.073 177.584 -0.008 0.000 1.317 174 A CA 0.841 52.855 52.037 -0.038 0.000 0.904 174 A CB -1.188 17.768 19.000 -0.074 0.000 0.993 174 A HN 1.873 nan 8.150 nan 0.000 0.504 175 G N -1.524 107.283 108.800 0.011 0.000 2.176 175 G HA2 0.096 4.056 3.960 0.000 0.000 0.252 175 G HA3 0.096 4.056 3.960 0.000 0.000 0.252 175 G C 0.259 175.197 174.900 0.063 0.000 1.024 175 G CA 0.344 45.462 45.100 0.031 0.000 0.755 175 G HN 1.687 nan 8.290 nan 0.000 0.507 176 A N -0.299 122.578 122.820 0.096 0.000 2.288 176 A HA 0.809 5.129 4.320 0.000 0.000 0.320 176 A C 0.197 177.935 177.584 0.256 0.000 1.217 176 A CA -0.660 51.483 52.037 0.177 0.000 0.840 176 A CB 0.688 19.784 19.000 0.160 0.000 1.179 176 A HN 0.688 nan 8.150 nan 0.000 0.504 177 I N 2.067 122.754 120.570 0.195 0.000 2.416 177 I HA 0.247 4.417 4.170 0.000 0.000 0.288 177 I C 0.981 177.092 176.117 -0.010 0.000 1.051 177 I CA 0.279 61.638 61.300 0.098 0.000 1.375 177 I CB 0.765 38.795 38.000 0.050 0.000 1.407 177 I HN 0.650 nan 8.210 nan 0.000 0.516 178 R N 6.911 127.311 120.500 -0.166 0.000 2.229 178 R HA 0.528 4.868 4.340 0.000 0.000 0.328 178 R C -1.206 174.926 176.300 -0.281 0.000 1.009 178 R CA -0.640 55.143 56.100 -0.529 0.000 0.864 178 R CB 0.596 30.624 30.300 -0.455 0.000 1.085 178 R HN 0.615 nan 8.270 nan 0.000 0.453 179 L N 4.420 125.483 121.223 -0.267 0.000 2.292 179 L HA 0.440 4.780 4.340 0.000 0.000 0.284 179 L C 0.899 177.707 176.870 -0.104 0.000 1.065 179 L CA 0.004 54.770 54.840 -0.124 0.000 0.806 179 L CB 1.411 43.433 42.059 -0.062 0.000 1.175 179 L HN 0.971 nan 8.230 nan 0.000 0.431 180 G N 2.666 111.419 108.800 -0.078 0.000 2.916 180 G HA2 -0.245 3.715 3.960 0.000 0.000 0.533 180 G HA3 -0.245 3.715 3.960 0.000 0.000 0.533 180 G C -0.425 174.463 174.900 -0.020 0.000 1.516 180 G CA -0.681 44.376 45.100 -0.073 0.000 0.944 180 G HN 0.634 nan 8.290 nan 0.000 0.555 181 K N -0.580 119.827 120.400 0.011 0.000 2.414 181 K HA 0.282 4.602 4.320 0.000 0.000 0.272 181 K C 0.703 177.448 176.600 0.241 0.000 0.993 181 K CA -0.523 55.819 56.287 0.092 0.000 0.964 181 K CB 0.610 33.166 32.500 0.093 0.000 0.925 181 K HN 0.589 nan 8.250 nan 0.000 0.487 182 L N 2.987 124.295 121.223 0.141 0.000 2.385 182 L HA 0.180 4.520 4.340 0.000 0.000 0.281 182 L C 0.371 177.259 176.870 0.030 0.000 1.106 182 L CA 0.444 55.339 54.840 0.091 0.000 0.856 182 L CB 0.027 42.081 42.059 -0.008 0.000 1.186 182 L HN 0.664 nan 8.230 nan 0.000 0.453 183 G N 4.115 112.825 108.800 -0.150 0.000 2.630 183 G HA2 0.252 4.212 3.960 0.000 0.000 0.236 183 G HA3 0.252 4.212 3.960 0.000 0.000 0.236 183 G C -0.525 174.016 174.900 -0.598 0.000 1.248 183 G CA -0.270 44.503 45.100 -0.544 0.000 0.844 183 G HN 0.845 nan 8.290 nan 0.000 0.588 184 E N -0.047 119.818 120.200 -0.559 0.000 2.640 184 E HA 0.437 4.787 4.350 0.000 0.000 0.360 184 E C -0.358 176.052 176.600 -0.316 0.000 1.014 184 E CA -0.683 55.423 56.400 -0.491 0.000 0.757 184 E CB 0.511 30.041 29.700 -0.282 0.000 1.565 184 E HN 0.726 nan 8.360 nan 0.000 0.381 185 A N 3.193 125.738 122.820 -0.459 0.000 2.366 185 A HA 0.330 4.650 4.320 0.000 0.000 0.272 185 A C -0.257 177.404 177.584 0.127 0.000 1.135 185 A CA -0.337 51.659 52.037 -0.067 0.000 0.804 185 A CB 0.808 19.832 19.000 0.039 0.000 1.064 185 A HN 0.531 nan 8.150 nan 0.000 0.499 186 D N 1.839 122.373 120.400 0.223 0.000 2.472 186 D HA 0.230 4.871 4.640 0.000 0.000 0.234 186 D C 0.376 176.767 176.300 0.152 0.000 1.088 186 D CA -0.227 53.928 54.000 0.259 0.000 0.882 186 D CB 1.138 42.036 40.800 0.164 0.000 1.037 186 D HN 0.549 nan 8.370 nan 0.000 0.520 187 D N 1.889 122.383 120.400 0.156 0.000 2.178 187 D HA -0.060 4.580 4.640 0.000 0.000 0.202 187 D C 2.048 178.397 176.300 0.081 0.000 0.974 187 D CA 1.369 55.442 54.000 0.121 0.000 0.841 187 D CB 0.202 41.070 40.800 0.113 0.000 0.953 187 D HN 0.582 nan 8.370 nan 0.000 0.478 188 G N 0.171 108.999 108.800 0.048 0.000 2.446 188 G HA2 -0.210 3.750 3.960 0.000 0.000 0.217 188 G HA3 -0.210 3.750 3.960 0.000 0.000 0.217 188 G C 1.495 176.389 174.900 -0.010 0.000 1.168 188 G CA 0.838 45.938 45.100 -0.001 0.000 0.771 188 G HN 0.364 nan 8.290 nan 0.000 0.551 189 A N -0.034 122.778 122.820 -0.013 0.000 2.238 189 A HA 0.464 4.784 4.320 0.000 0.000 0.208 189 A C 1.919 179.522 177.584 0.032 0.000 1.177 189 A CA 1.195 53.231 52.037 -0.001 0.000 0.804 189 A CB -0.630 18.366 19.000 -0.007 0.000 0.823 189 A HN 1.640 nan 8.150 nan 0.000 0.482 190 G N -0.156 108.675 108.800 0.051 0.000 2.323 190 G HA2 -0.285 3.675 3.960 0.000 0.000 0.292 190 G HA3 -0.285 3.675 3.960 0.000 0.000 0.292 190 G C 0.638 175.589 174.900 0.086 0.000 1.040 190 G CA 1.259 46.400 45.100 0.067 0.000 0.942 190 G HN 1.304 nan 8.290 nan 0.000 0.506 191 T N -4.687 109.932 114.554 0.109 0.000 3.040 191 T HA 0.225 4.575 4.350 0.000 0.000 0.266 191 T C 2.083 176.895 174.700 0.187 0.000 1.005 191 T CA 1.265 63.444 62.100 0.131 0.000 0.906 191 T CB 0.136 69.072 68.868 0.114 0.000 1.082 191 T HN 0.255 nan 8.240 nan 0.000 0.531 192 T N 2.832 117.515 114.554 0.215 0.000 2.602 192 T HA -0.292 4.058 4.350 0.000 0.000 0.264 192 T C 1.484 176.432 174.700 0.413 0.000 1.085 192 T CA 2.443 64.733 62.100 0.318 0.000 1.164 192 T CB -0.891 68.170 68.868 0.322 0.000 0.860 192 T HN 0.576 nan 8.240 nan 0.000 0.442 193 D N 0.402 121.041 120.400 0.400 0.000 2.117 193 D HA -0.111 4.529 4.640 0.000 0.000 0.197 193 D C 2.317 178.797 176.300 0.300 0.000 0.987 193 D CA 0.953 55.221 54.000 0.447 0.000 0.829 193 D CB -0.047 40.938 40.800 0.308 0.000 0.961 193 D HN 0.258 nan 8.370 nan 0.000 0.460 194 E N 0.343 120.673 120.200 0.217 0.000 2.107 194 E HA -0.116 4.234 4.350 0.000 0.000 0.191 194 E C 1.714 178.411 176.600 0.162 0.000 0.982 194 E CA 0.699 57.193 56.400 0.156 0.000 0.809 194 E CB -0.258 29.519 29.700 0.129 0.000 0.756 194 E HN 0.465 nan 8.360 nan 0.000 0.459 195 D N 0.130 120.655 120.400 0.209 0.000 2.158 195 D HA -0.196 4.444 4.640 0.000 0.000 0.197 195 D C 1.847 178.333 176.300 0.310 0.000 0.995 195 D CA 0.918 55.069 54.000 0.251 0.000 0.846 195 D CB -0.375 40.586 40.800 0.269 0.000 0.941 195 D HN 0.244 nan 8.370 nan 0.000 0.456 196 Y N 1.389 121.707 120.300 0.031 0.000 2.109 196 Y HA -0.223 4.327 4.550 0.000 0.000 0.285 196 Y C 2.284 178.131 175.900 -0.089 0.000 1.131 196 Y CA 1.428 59.285 58.100 -0.406 0.000 1.121 196 Y CB -0.406 37.381 38.460 -1.123 0.000 0.987 196 Y HN -0.213 nan 8.280 nan 0.000 0.495 197 M N 0.632 120.143 119.600 -0.147 0.000 2.113 197 M HA -0.329 4.151 4.480 0.000 0.000 0.255 197 M C 2.432 178.644 176.300 -0.147 0.000 1.073 197 M CA 2.082 57.281 55.300 -0.169 0.000 1.091 197 M CB -2.066 30.531 32.600 -0.005 0.000 1.309 197 M HN 0.517 nan 8.290 nan 0.000 0.407 198 A N -0.927 121.881 122.820 -0.020 0.000 1.851 198 A HA -0.239 4.081 4.320 0.000 0.000 0.216 198 A C 2.055 179.653 177.584 0.024 0.000 1.195 198 A CA 1.871 53.923 52.037 0.024 0.000 0.622 198 A CB -1.483 17.571 19.000 0.091 0.000 0.831 198 A HN 0.692 nan 8.150 nan 0.000 0.444 199 W N 0.920 122.164 121.300 -0.094 0.000 2.333 199 W HA -0.223 4.437 4.660 0.000 0.000 0.316 199 W C 2.306 178.726 176.519 -0.165 0.000 1.215 199 W CA 2.505 59.808 57.345 -0.069 0.000 1.278 199 W CB -0.155 29.354 29.460 0.082 0.000 1.154 199 W HN 0.328 nan 8.180 nan 0.000 0.486 200 K N 0.225 120.494 120.400 -0.218 0.000 2.034 200 K HA -0.287 4.033 4.320 0.000 0.000 0.214 200 K C 1.690 178.146 176.600 -0.241 0.000 1.051 200 K CA 2.354 58.432 56.287 -0.347 0.000 0.931 200 K CB -0.802 31.299 32.500 -0.664 0.000 0.715 200 K HN 0.115 nan 8.250 nan 0.000 0.446 201 D N 0.196 120.478 120.400 -0.197 0.000 2.104 201 D HA -0.142 4.498 4.640 0.000 0.000 0.194 201 D C 2.111 178.327 176.300 -0.140 0.000 0.994 201 D CA 1.822 55.748 54.000 -0.123 0.000 0.830 201 D CB -0.244 40.505 40.800 -0.085 0.000 0.959 201 D HN 0.434 nan 8.370 nan 0.000 0.452 202 S N 0.522 116.104 115.700 -0.197 0.000 2.368 202 S HA -0.111 4.359 4.470 0.000 0.000 0.224 202 S C 2.104 176.550 174.600 -0.258 0.000 1.029 202 S CA 0.451 58.534 58.200 -0.196 0.000 0.988 202 S CB -0.321 62.765 63.200 -0.190 0.000 0.838 202 S HN 0.093 nan 8.310 nan 0.000 0.462 203 I N 1.853 122.147 120.570 -0.460 0.000 2.394 203 I HA 0.001 4.171 4.170 0.000 0.000 0.251 203 I C 2.277 178.296 176.117 -0.163 0.000 1.136 203 I CA 0.915 61.945 61.300 -0.451 0.000 1.425 203 I CB -1.083 36.329 38.000 -0.980 0.000 1.079 203 I HN 0.373 nan 8.210 nan 0.000 0.425 204 L N -0.114 121.056 121.223 -0.087 0.000 2.291 204 L HA -0.136 4.204 4.340 0.000 0.000 0.214 204 L C 2.354 179.233 176.870 0.015 0.000 1.120 204 L CA 0.876 55.732 54.840 0.026 0.000 0.799 204 L CB -0.309 41.791 42.059 0.068 0.000 0.925 204 L HN 0.207 nan 8.230 nan 0.000 0.446 205 E N -0.309 119.871 120.200 -0.033 0.000 2.170 205 E HA -0.087 4.263 4.350 0.000 0.000 0.191 205 E C 2.320 178.891 176.600 -0.049 0.000 0.981 205 E CA 0.709 57.093 56.400 -0.027 0.000 0.830 205 E CB 0.066 29.745 29.700 -0.035 0.000 0.775 205 E HN 0.264 nan 8.360 nan 0.000 0.470 206 V N 1.492 121.364 119.914 -0.070 0.000 2.343 206 V HA -0.218 3.902 4.120 0.000 0.000 0.247 206 V C 2.440 178.503 176.094 -0.051 0.000 1.051 206 V CA 1.325 63.588 62.300 -0.062 0.000 1.036 206 V CB -0.446 31.327 31.823 -0.084 0.000 0.654 206 V HN 0.196 nan 8.190 nan 0.000 0.451 207 L N -0.417 120.769 121.223 -0.063 0.000 2.179 207 L HA -0.097 4.243 4.340 0.000 0.000 0.208 207 L C 2.534 179.286 176.870 -0.196 0.000 1.096 207 L CA 1.316 56.102 54.840 -0.090 0.000 0.779 207 L CB -0.587 41.414 42.059 -0.096 0.000 0.922 207 L HN 0.278 nan 8.230 nan 0.000 0.443 208 K N 0.517 120.779 120.400 -0.232 0.000 2.103 208 K HA -0.220 4.100 4.320 0.000 0.000 0.207 208 K C 1.393 177.915 176.600 -0.131 0.000 1.048 208 K CA 2.034 58.145 56.287 -0.294 0.000 0.930 208 K CB 0.065 32.488 32.500 -0.128 0.000 0.716 208 K HN 0.257 nan 8.250 nan 0.000 0.444 209 D N 0.421 120.787 120.400 -0.057 0.000 2.087 209 D HA -0.125 4.516 4.640 0.000 0.000 0.201 209 D C 1.873 178.241 176.300 0.113 0.000 0.980 209 D CA 0.979 54.990 54.000 0.019 0.000 0.849 209 D CB -0.241 40.561 40.800 0.003 0.000 1.001 209 D HN 0.127 nan 8.370 nan 0.000 0.452 210 E N 0.229 120.452 120.200 0.039 0.000 2.164 210 E HA -0.186 4.164 4.350 0.000 0.000 0.206 210 E C 2.017 178.589 176.600 -0.047 0.000 1.032 210 E CA 0.925 57.334 56.400 0.015 0.000 0.832 210 E CB -0.285 29.414 29.700 -0.002 0.000 0.742 210 E HN 0.386 nan 8.360 nan 0.000 0.460 211 L N -0.550 120.642 121.223 -0.051 0.000 2.607 211 L HA 0.147 4.487 4.340 0.000 0.000 0.228 211 L C -0.189 176.656 176.870 -0.040 0.000 1.123 211 L CA -0.138 54.640 54.840 -0.105 0.000 0.890 211 L CB -0.422 41.579 42.059 -0.098 0.000 1.103 211 L HN 0.216 nan 8.230 nan 0.000 0.468 212 H N 0.421 119.431 119.070 -0.101 0.000 2.604 212 H HA -0.136 4.420 4.556 0.000 0.000 0.324 212 H C -0.265 174.998 175.328 -0.109 0.000 1.068 212 H CA -0.387 55.609 56.048 -0.086 0.000 1.091 212 H CB -1.411 28.321 29.762 -0.050 0.000 1.611 212 H HN 0.295 nan 8.280 nan 0.000 0.387 213 L N 1.747 122.923 121.223 -0.079 0.000 2.334 213 L HA 0.334 4.674 4.340 0.000 0.000 0.275 213 L C 0.641 177.493 176.870 -0.031 0.000 1.036 213 L CA -0.635 54.115 54.840 -0.150 0.000 0.807 213 L CB 1.267 42.993 42.059 -0.555 0.000 1.231 213 L HN 0.256 nan 8.230 nan 0.000 0.438 214 D N 2.287 122.724 120.400 0.062 0.000 2.233 214 D HA 0.227 4.867 4.640 0.000 0.000 0.240 214 D C -0.153 176.280 176.300 0.221 0.000 1.074 214 D CA -0.268 53.794 54.000 0.103 0.000 0.838 214 D CB 1.804 42.644 40.800 0.067 0.000 1.124 214 D HN 0.450 nan 8.370 nan 0.000 0.475 215 E N 1.046 121.378 120.200 0.221 0.000 2.369 215 E HA 0.258 4.608 4.350 0.000 0.000 0.255 215 E C 0.032 176.664 176.600 0.054 0.000 1.172 215 E CA -0.324 56.193 56.400 0.195 0.000 0.932 215 E CB 1.082 30.868 29.700 0.142 0.000 1.040 215 E HN 0.455 nan 8.360 nan 0.000 0.454 216 Q N -0.176 119.601 119.800 -0.038 0.000 2.426 216 Q HA 0.300 4.640 4.340 0.000 0.000 0.278 216 Q C -1.177 174.774 176.000 -0.081 0.000 1.007 216 Q CA -0.815 54.961 55.803 -0.044 0.000 0.850 216 Q CB 1.068 29.787 28.738 -0.031 0.000 1.427 216 Q HN 0.364 nan 8.270 nan 0.000 0.391 217 E N 0.921 121.086 120.200 -0.059 0.000 2.608 217 E HA 0.153 4.503 4.350 0.000 0.000 0.259 217 E C -0.595 175.959 176.600 -0.077 0.000 0.951 217 E CA 0.447 56.808 56.400 -0.064 0.000 0.945 217 E CB 0.525 30.195 29.700 -0.051 0.000 0.916 217 E HN 0.578 nan 8.360 nan 0.000 0.477 218 A N 5.558 128.328 122.820 -0.085 0.000 2.451 218 A HA 0.173 4.493 4.320 0.000 0.000 0.266 218 A C -0.360 177.203 177.584 -0.035 0.000 1.119 218 A CA 0.005 51.997 52.037 -0.076 0.000 0.786 218 A CB 0.386 19.341 19.000 -0.074 0.000 1.061 218 A HN 0.401 nan 8.150 nan 0.000 0.503 219 K N 1.483 121.878 120.400 -0.007 0.000 2.385 219 K HA 0.427 4.747 4.320 0.000 0.000 0.248 219 K C -0.866 175.826 176.600 0.153 0.000 0.955 219 K CA -0.723 55.584 56.287 0.034 0.000 0.816 219 K CB 1.704 34.202 32.500 -0.003 0.000 1.250 219 K HN 0.583 nan 8.250 nan 0.000 0.434 220 F N 1.210 121.214 119.950 0.091 0.000 2.459 220 F HA 0.263 4.790 4.527 0.000 0.000 0.346 220 F C -0.228 175.665 175.800 0.156 0.000 1.128 220 F CA 0.307 58.438 58.000 0.218 0.000 1.268 220 F CB 0.690 39.953 39.000 0.438 0.000 1.161 220 F HN 0.311 nan 8.300 nan 0.000 0.583 221 T N 4.632 118.805 114.554 -0.636 0.000 3.176 221 T HA 0.161 4.511 4.350 0.000 0.000 0.337 221 T C -0.521 173.706 174.700 -0.789 0.000 0.957 221 T CA -0.601 61.130 62.100 -0.615 0.000 1.092 221 T CB 0.708 69.442 68.868 -0.224 0.000 1.018 221 T HN 0.743 nan 8.240 nan 0.000 0.473 222 S N 2.024 117.137 115.700 -0.978 0.000 2.558 222 S HA 0.032 4.502 4.470 0.000 0.000 0.288 222 S C 1.119 175.614 174.600 -0.174 0.000 1.318 222 S CA -0.103 57.863 58.200 -0.390 0.000 1.056 222 S CB 0.523 63.679 63.200 -0.073 0.000 0.853 222 S HN 0.532 nan 8.310 nan 0.000 0.505 223 Q N 2.530 122.245 119.800 -0.141 0.000 2.319 223 Q HA 0.285 4.625 4.340 0.000 0.000 0.202 223 Q C -0.849 174.781 176.000 -0.618 0.000 0.896 223 Q CA 0.393 55.962 55.803 -0.391 0.000 0.942 223 Q CB 0.074 28.494 28.738 -0.530 0.000 1.083 223 Q HN 0.662 nan 8.270 nan 0.000 0.510 224 F N -0.476 119.504 119.950 0.050 0.000 2.631 224 F HA 0.379 4.906 4.527 0.000 0.000 0.328 224 F C 0.350 176.204 175.800 0.090 0.000 1.067 224 F CA -1.119 56.923 58.000 0.071 0.000 0.969 224 F CB 1.373 40.431 39.000 0.097 0.000 1.332 224 F HN -0.333 nan 8.300 nan 0.000 0.490 225 Q N 1.548 121.547 119.800 0.332 0.000 2.462 225 Q HA 0.232 4.572 4.340 0.000 0.000 0.247 225 Q C -1.677 174.477 176.000 0.257 0.000 1.044 225 Q CA -0.642 55.298 55.803 0.229 0.000 0.803 225 Q CB 0.580 29.409 28.738 0.152 0.000 1.190 225 Q HN 0.650 nan 8.270 nan 0.000 0.507 226 Y N 3.119 123.512 120.300 0.155 0.000 2.537 226 Y HA 0.197 4.747 4.550 0.000 0.000 0.339 226 Y C -0.785 175.193 175.900 0.129 0.000 1.066 226 Y CA 0.604 58.788 58.100 0.140 0.000 1.357 226 Y CB 0.719 39.237 38.460 0.098 0.000 1.175 226 Y HN 0.413 nan 8.280 nan 0.000 0.525 227 T N 5.724 120.153 114.554 -0.209 0.000 2.861 227 T HA 0.441 4.791 4.350 0.000 0.000 0.287 227 T C -1.072 173.496 174.700 -0.220 0.000 1.003 227 T CA -0.775 61.261 62.100 -0.107 0.000 0.977 227 T CB 1.485 70.342 68.868 -0.018 0.000 0.996 227 T HN 0.331 nan 8.240 nan 0.000 0.448 228 V N 4.543 124.416 119.914 -0.069 0.000 2.333 228 V HA 0.353 4.473 4.120 0.000 0.000 0.274 228 V C 0.302 176.405 176.094 0.015 0.000 1.028 228 V CA -0.715 61.580 62.300 -0.009 0.000 0.851 228 V CB 0.290 32.173 31.823 0.101 0.000 1.000 228 V HN 0.702 nan 8.190 nan 0.000 0.456 229 L N 3.933 125.157 121.223 0.001 0.000 2.479 229 L HA 0.457 4.797 4.340 0.000 0.000 0.248 229 L C 1.060 177.939 176.870 0.014 0.000 1.205 229 L CA -0.457 54.382 54.840 -0.000 0.000 0.817 229 L CB 0.357 42.401 42.059 -0.024 0.000 1.162 229 L HN 0.535 nan 8.230 nan 0.000 0.486 230 N N -0.674 118.030 118.700 0.008 0.000 2.273 230 N HA 0.169 4.909 4.740 0.000 0.000 0.192 230 N C -0.371 175.142 175.510 0.006 0.000 1.132 230 N CA 0.273 53.331 53.050 0.013 0.000 0.887 230 N CB 1.187 39.682 38.487 0.014 0.000 1.048 230 N HN 0.573 nan 8.380 nan 0.000 0.490 231 E N 0.172 120.370 120.200 -0.004 0.000 2.392 231 E HA 0.265 4.615 4.350 0.000 0.000 0.279 231 E C -1.427 175.160 176.600 -0.021 0.000 0.964 231 E CA -0.778 55.616 56.400 -0.010 0.000 0.777 231 E CB 2.681 32.376 29.700 -0.009 0.000 1.249 231 E HN -0.102 nan 8.360 nan 0.000 0.449 232 I N 1.130 121.685 120.570 -0.024 0.000 2.428 232 I HA 0.271 4.441 4.170 0.000 0.000 0.289 232 I C -0.500 175.597 176.117 -0.034 0.000 1.019 232 I CA 0.665 61.944 61.300 -0.035 0.000 1.351 232 I CB 1.177 39.155 38.000 -0.037 0.000 1.412 232 I HN 0.418 nan 8.210 nan 0.000 0.513 233 T N 4.686 119.217 114.554 -0.039 0.000 2.905 233 T HA 0.306 4.656 4.350 0.000 0.000 0.283 233 T C 0.173 174.848 174.700 -0.041 0.000 1.031 233 T CA -0.251 61.826 62.100 -0.038 0.000 1.002 233 T CB 1.166 70.010 68.868 -0.040 0.000 1.200 233 T HN 0.516 nan 8.240 nan 0.000 0.560 234 D N 0.638 121.012 120.400 -0.044 0.000 2.363 234 D HA 0.030 4.670 4.640 0.000 0.000 0.226 234 D C 1.516 177.785 176.300 -0.052 0.000 1.020 234 D CA 0.319 54.292 54.000 -0.045 0.000 0.892 234 D CB -0.009 40.760 40.800 -0.051 0.000 0.900 234 D HN 0.425 nan 8.370 nan 0.000 0.531 235 S N -1.160 114.507 115.700 -0.054 0.000 2.554 235 S HA 0.258 4.728 4.470 0.000 0.000 0.226 235 S C 0.483 175.072 174.600 -0.019 0.000 0.980 235 S CA -0.514 57.654 58.200 -0.055 0.000 0.939 235 S CB 0.072 63.227 63.200 -0.074 0.000 0.832 235 S HN -0.009 nan 8.310 nan 0.000 0.486 236 M N 2.053 121.638 119.600 -0.025 0.000 2.311 236 M HA 0.446 4.926 4.480 0.000 0.000 0.325 236 M C -0.169 176.116 176.300 -0.025 0.000 1.061 236 M CA -0.394 54.886 55.300 -0.032 0.000 0.957 236 M CB 2.197 34.764 32.600 -0.056 0.000 1.646 236 M HN 0.169 nan 8.290 nan 0.000 0.434 237 S N 2.433 118.126 115.700 -0.012 0.000 2.584 237 S HA 0.518 4.988 4.470 0.000 0.000 0.273 237 S C 0.208 174.777 174.600 -0.050 0.000 1.311 237 S CA -0.551 57.651 58.200 0.004 0.000 1.034 237 S CB 0.556 63.814 63.200 0.097 0.000 0.939 237 S HN 0.813 nan 8.310 nan 0.000 0.513 238 L N 3.346 124.510 121.223 -0.098 0.000 3.184 238 L HA 0.394 4.734 4.340 0.000 0.000 0.283 238 L C 1.341 178.037 176.870 -0.291 0.000 1.218 238 L CA 0.214 54.959 54.840 -0.157 0.000 1.028 238 L CB 0.326 42.300 42.059 -0.141 0.000 1.400 238 L HN 1.006 nan 8.230 nan 0.000 0.591 239 G N -0.391 108.196 108.800 -0.355 0.000 2.613 239 G HA2 -0.162 3.798 3.960 0.000 0.000 0.199 239 G HA3 -0.162 3.798 3.960 0.000 0.000 0.199 239 G C 0.009 174.618 174.900 -0.486 0.000 0.991 239 G CA -0.700 43.945 45.100 -0.759 0.000 0.756 239 G HN 0.249 nan 8.290 nan 0.000 0.515 240 E N 1.466 121.535 120.200 -0.218 0.000 2.568 240 E HA 0.267 4.617 4.350 0.000 0.000 0.262 240 E C -1.029 175.629 176.600 0.095 0.000 0.961 240 E CA -0.398 55.944 56.400 -0.097 0.000 0.945 240 E CB 1.006 30.719 29.700 0.021 0.000 0.924 240 E HN 0.173 nan 8.360 nan 0.000 0.467 241 P HA -0.201 nan 4.420 nan 0.000 0.214 241 P C -0.264 177.164 177.300 0.213 0.000 1.169 241 P CA 1.676 64.843 63.100 0.112 0.000 0.908 241 P CB 0.259 31.776 31.700 -0.306 0.000 0.791 242 S N -3.718 112.091 115.700 0.182 0.000 2.704 242 S HA 0.699 5.169 4.470 0.000 0.000 0.296 242 S C 1.012 175.758 174.600 0.243 0.000 1.138 242 S CA -0.273 58.093 58.200 0.277 0.000 0.875 242 S CB 1.290 64.749 63.200 0.433 0.000 1.151 242 S HN 0.084 nan 8.310 nan 0.000 0.500 243 A N 0.575 123.422 122.820 0.045 0.000 1.908 243 A HA -0.126 4.194 4.320 0.000 0.000 0.218 243 A C 1.897 179.349 177.584 -0.219 0.000 1.181 243 A CA 1.738 53.678 52.037 -0.161 0.000 0.627 243 A CB -1.737 17.002 19.000 -0.435 0.000 0.818 243 A HN 0.941 nan 8.150 nan 0.000 0.445 244 H N -2.379 116.617 119.070 -0.123 0.000 2.466 244 H HA -0.215 4.341 4.556 0.000 0.000 0.297 244 H C 0.762 176.023 175.328 -0.111 0.000 1.113 244 H CA 1.784 57.737 56.048 -0.159 0.000 1.273 244 H CB -0.278 29.387 29.762 -0.161 0.000 1.371 244 H HN 0.705 nan 8.280 nan 0.000 0.528 245 Y N 0.425 120.793 120.300 0.113 0.000 2.532 245 Y HA 0.251 4.801 4.550 0.000 0.000 0.283 245 Y C 0.828 176.755 175.900 0.044 0.000 1.181 245 Y CA -0.206 57.936 58.100 0.070 0.000 1.256 245 Y CB 0.206 38.687 38.460 0.035 0.000 1.112 245 Y HN 0.003 nan 8.280 nan 0.000 0.521 246 L N 1.013 122.351 121.223 0.192 0.000 2.334 246 L HA 0.214 4.554 4.340 0.000 0.000 0.277 246 L C -1.273 175.653 176.870 0.094 0.000 1.075 246 L CA -1.904 53.020 54.840 0.140 0.000 0.804 246 L CB 1.570 43.745 42.059 0.194 0.000 1.174 246 L HN -0.045 nan 8.230 nan 0.000 0.438 247 P HA -0.249 nan 4.420 nan 0.000 0.217 247 P C 1.491 178.772 177.300 -0.033 0.000 1.158 247 P CA 1.628 64.726 63.100 -0.003 0.000 0.887 247 P CB 0.138 31.825 31.700 -0.021 0.000 0.792 248 S N -2.509 113.141 115.700 -0.083 0.000 2.537 248 S HA -0.133 4.337 4.470 0.000 0.000 0.240 248 S C 0.805 175.215 174.600 -0.317 0.000 0.981 248 S CA 0.731 58.811 58.200 -0.199 0.000 0.948 248 S CB -1.087 61.951 63.200 -0.270 0.000 0.759 248 S HN 0.186 nan 8.310 nan 0.000 0.531 249 H N 0.492 119.540 119.070 -0.036 0.000 2.670 249 H HA 0.527 5.083 4.556 0.000 0.000 0.361 249 H C -0.393 174.911 175.328 -0.041 0.000 1.169 249 H CA -0.602 55.420 56.048 -0.044 0.000 1.198 249 H CB 1.160 30.886 29.762 -0.060 0.000 1.700 249 H HN 0.236 nan 8.280 nan 0.000 0.542 250 Q N 1.813 121.676 119.800 0.105 0.000 2.293 250 Q HA 0.319 4.659 4.340 0.000 0.000 0.261 250 Q C -0.141 175.863 176.000 0.007 0.000 0.960 250 Q CA -0.758 55.065 55.803 0.033 0.000 0.882 250 Q CB 2.516 31.265 28.738 0.019 0.000 1.275 250 Q HN 0.464 nan 8.270 nan 0.000 0.445 251 L N 2.194 123.391 121.223 -0.042 0.000 2.426 251 L HA 0.148 4.488 4.340 0.000 0.000 0.271 251 L C 0.981 177.829 176.870 -0.037 0.000 1.169 251 L CA 0.045 54.831 54.840 -0.089 0.000 0.836 251 L CB 0.287 42.266 42.059 -0.134 0.000 1.112 251 L HN 0.529 nan 8.230 nan 0.000 0.465 252 N N 3.669 122.343 118.700 -0.042 0.000 2.555 252 N HA 0.151 4.891 4.740 0.000 0.000 0.244 252 N C -0.216 175.291 175.510 -0.005 0.000 1.114 252 N CA -0.451 52.582 53.050 -0.028 0.000 0.963 252 N CB 0.366 38.819 38.487 -0.056 0.000 1.276 252 N HN 0.565 nan 8.380 nan 0.000 0.510 253 R N 1.187 121.693 120.500 0.010 0.000 2.603 253 R HA 0.364 4.704 4.340 0.000 0.000 0.225 253 R C -0.018 176.292 176.300 0.017 0.000 1.300 253 R CA -0.717 55.401 56.100 0.029 0.000 1.075 253 R CB 0.344 30.665 30.300 0.034 0.000 1.663 253 R HN 0.583 nan 8.270 nan 0.000 0.546 254 N N -1.375 117.338 118.700 0.022 0.000 3.167 254 N HA 0.243 4.983 4.740 0.000 0.000 0.323 254 N C 0.419 175.937 175.510 0.014 0.000 1.478 254 N CA -0.143 52.915 53.050 0.014 0.000 0.753 254 N CB 0.154 38.649 38.487 0.013 0.000 1.721 254 N HN 0.453 nan 8.380 nan 0.000 0.618 255 A N 0.007 122.833 122.820 0.010 0.000 1.906 255 A HA -0.270 4.050 4.320 0.000 0.000 0.222 255 A C 0.738 178.330 177.584 0.012 0.000 1.282 255 A CA 2.458 54.501 52.037 0.009 0.000 0.675 255 A CB -1.251 17.753 19.000 0.008 0.000 0.838 255 A HN 0.784 nan 8.150 nan 0.000 0.469 256 D N -1.532 118.877 120.400 0.016 0.000 2.460 256 D HA 0.353 4.994 4.640 0.000 0.000 0.229 256 D C 1.261 177.576 176.300 0.025 0.000 1.170 256 D CA 0.872 54.883 54.000 0.018 0.000 0.827 256 D CB -0.241 40.569 40.800 0.018 0.000 0.973 256 D HN 0.783 nan 8.370 nan 0.000 0.496 257 G N 1.523 110.339 108.800 0.026 0.000 2.245 257 G HA2 -0.349 3.611 3.960 0.000 0.000 0.264 257 G HA3 -0.349 3.611 3.960 0.000 0.000 0.264 257 G C 0.546 175.477 174.900 0.052 0.000 0.985 257 G CA -0.099 45.022 45.100 0.035 0.000 0.625 257 G HN 0.471 nan 8.290 nan 0.000 0.536 258 I N 1.786 122.387 120.570 0.050 0.000 2.943 258 I HA -0.049 4.121 4.170 0.000 0.000 0.296 258 I C 1.215 177.385 176.117 0.088 0.000 1.220 258 I CA 0.484 61.822 61.300 0.064 0.000 1.409 258 I CB 0.318 38.343 38.000 0.042 0.000 1.374 258 I HN 0.333 nan 8.210 nan 0.000 0.545 259 Q N 6.098 125.985 119.800 0.145 0.000 2.247 259 Q HA 0.156 4.496 4.340 0.000 0.000 0.288 259 Q C -0.288 175.852 176.000 0.233 0.000 1.079 259 Q CA 0.220 56.150 55.803 0.212 0.000 0.932 259 Q CB 0.691 29.652 28.738 0.371 0.000 1.133 259 Q HN 0.593 nan 8.270 nan 0.000 0.377 260 L N 2.596 123.902 121.223 0.139 0.000 2.884 260 L HA 0.692 5.032 4.340 0.000 0.000 0.199 260 L C 0.627 177.402 176.870 -0.158 0.000 1.828 260 L CA -0.238 54.635 54.840 0.055 0.000 2.124 260 L CB 0.230 42.284 42.059 -0.008 0.000 2.736 260 L HN 0.934 nan 8.230 nan 0.000 0.592 261 G N -0.239 108.408 108.800 -0.255 0.000 2.733 261 G HA2 -0.111 3.849 3.960 0.000 0.000 0.686 261 G HA3 -0.111 3.849 3.960 0.000 0.000 0.686 261 G C -3.030 171.474 174.900 -0.659 0.000 1.373 261 G CA -1.105 43.721 45.100 -0.456 0.000 0.838 261 G HN 0.280 nan 8.290 nan 0.000 0.588 262 P HA 0.579 nan 4.420 nan 0.000 0.293 262 P C -0.493 176.532 177.300 -0.458 0.000 1.300 262 P CA -0.353 62.544 63.100 -0.338 0.000 0.792 262 P CB 0.422 32.024 31.700 -0.163 0.000 0.925 263 F N 3.325 123.270 119.950 -0.008 0.000 2.410 263 F HA 0.426 4.953 4.527 0.000 0.000 0.349 263 F C 0.961 176.753 175.800 -0.012 0.000 1.117 263 F CA 0.377 58.374 58.000 -0.004 0.000 1.104 263 F CB 1.038 40.068 39.000 0.050 0.000 1.122 263 F HN 0.353 nan 8.300 nan 0.000 0.483 264 D N 0.759 121.161 120.400 0.003 0.000 3.309 264 D HA 0.162 4.802 4.640 0.000 0.000 0.335 264 D C 0.406 176.458 176.300 -0.414 0.000 1.393 264 D CA -0.687 53.156 54.000 -0.262 0.000 0.963 264 D CB 0.307 41.087 40.800 -0.034 0.000 1.431 264 D HN 0.311 nan 8.370 nan 0.000 0.583 265 L N -0.010 121.080 121.223 -0.222 0.000 2.353 265 L HA -0.071 4.269 4.340 0.000 0.000 0.220 265 L C 1.784 178.824 176.870 0.282 0.000 1.133 265 L CA 1.827 56.694 54.840 0.045 0.000 0.798 265 L CB -0.446 41.630 42.059 0.029 0.000 0.922 265 L HN 0.521 nan 8.230 nan 0.000 0.445 266 S N -2.741 113.070 115.700 0.186 0.000 2.524 266 S HA 0.069 4.539 4.470 0.000 0.000 0.215 266 S C 0.830 175.543 174.600 0.188 0.000 0.986 266 S CA -0.334 57.990 58.200 0.207 0.000 0.911 266 S CB 0.517 63.784 63.200 0.113 0.000 0.805 266 S HN 0.292 nan 8.310 nan 0.000 0.501 267 Q N 1.760 121.622 119.800 0.103 0.000 3.025 267 Q HA 0.359 4.699 4.340 0.000 0.000 0.216 267 Q C -3.079 172.968 176.000 0.078 0.000 0.828 267 Q CA -1.328 54.476 55.803 0.002 0.000 0.806 267 Q CB 2.612 31.202 28.738 -0.247 0.000 1.423 267 Q HN 0.276 nan 8.270 nan 0.000 0.455 268 P HA 0.129 nan 4.420 nan 0.000 0.289 268 P C -0.943 176.413 177.300 0.093 0.000 1.299 268 P CA -0.292 62.603 63.100 -0.343 0.000 0.766 268 P CB 0.814 31.617 31.700 -1.494 0.000 1.226 269 Y N 0.043 120.133 120.300 -0.351 0.000 2.402 269 Y HA 0.410 4.960 4.550 0.000 0.000 0.325 269 Y C -0.183 175.529 175.900 -0.314 0.000 1.009 269 Y CA -0.978 56.849 58.100 -0.455 0.000 1.278 269 Y CB 0.023 37.734 38.460 -1.248 0.000 1.105 269 Y HN 0.106 nan 8.280 nan 0.000 0.476 270 I N 6.140 126.318 120.570 -0.653 0.000 2.752 270 I HA 0.212 4.382 4.170 0.000 0.000 0.286 270 I C 0.481 176.126 176.117 -0.786 0.000 1.180 270 I CA 0.570 61.537 61.300 -0.556 0.000 1.404 270 I CB -0.087 37.753 38.000 -0.266 0.000 1.389 270 I HN 0.751 nan 8.210 nan 0.000 0.549 271 A N 9.855 132.427 122.820 -0.414 0.000 2.356 271 A HA 0.869 5.189 4.320 0.000 0.000 0.323 271 A C -2.640 174.945 177.584 0.002 0.000 1.119 271 A CA -1.615 50.333 52.037 -0.148 0.000 0.790 271 A CB 1.626 20.751 19.000 0.208 0.000 1.273 271 A HN 0.486 nan 8.150 nan 0.000 0.452 272 P HA 0.394 nan 4.420 nan 0.000 0.301 272 P C -0.819 176.395 177.300 -0.144 0.000 1.348 272 P CA -0.145 62.927 63.100 -0.047 0.000 0.826 272 P CB 0.863 32.551 31.700 -0.019 0.000 0.945 273 I N 4.636 125.014 120.570 -0.321 0.000 2.494 273 I HA -0.037 4.133 4.170 0.000 0.000 0.289 273 I C 1.860 177.829 176.117 -0.248 0.000 1.106 273 I CA -0.087 60.892 61.300 -0.534 0.000 1.369 273 I CB 0.991 38.582 38.000 -0.681 0.000 1.410 273 I HN 0.227 nan 8.210 nan 0.000 0.523 274 V N 2.845 122.641 119.914 -0.196 0.000 3.623 274 V HA 0.245 4.365 4.120 0.000 0.000 0.271 274 V C 0.607 176.637 176.094 -0.108 0.000 1.248 274 V CA 0.586 62.824 62.300 -0.104 0.000 1.156 274 V CB -0.826 30.961 31.823 -0.060 0.000 0.870 274 V HN 0.725 nan 8.190 nan 0.000 0.453 275 K N 0.814 121.121 120.400 -0.155 0.000 2.579 275 K HA 0.497 4.817 4.320 0.000 0.000 0.257 275 K C -1.099 175.425 176.600 -0.125 0.000 0.950 275 K CA 0.288 56.503 56.287 -0.120 0.000 0.862 275 K CB 2.321 34.768 32.500 -0.089 0.000 1.317 275 K HN 0.474 nan 8.250 nan 0.000 0.436 276 S N 2.078 117.708 115.700 -0.116 0.000 2.632 276 S HA 0.877 5.347 4.470 0.000 0.000 0.289 276 S C -0.988 173.574 174.600 -0.064 0.000 1.115 276 S CA -0.983 57.156 58.200 -0.101 0.000 0.889 276 S CB 2.472 65.561 63.200 -0.186 0.000 1.116 276 S HN 0.786 nan 8.310 nan 0.000 0.486 277 R N -0.268 120.209 120.500 -0.038 0.000 2.739 277 R HA 0.476 4.816 4.340 0.000 0.000 0.266 277 R C -1.888 174.384 176.300 -0.047 0.000 1.044 277 R CA -0.814 55.255 56.100 -0.052 0.000 0.885 277 R CB 0.626 30.884 30.300 -0.071 0.000 1.260 277 R HN 0.528 nan 8.270 nan 0.000 0.477 278 E N 1.669 121.836 120.200 -0.054 0.000 2.259 278 E HA 0.154 4.504 4.350 0.000 0.000 0.281 278 E C -0.067 176.503 176.600 -0.050 0.000 1.027 278 E CA -0.319 56.048 56.400 -0.054 0.000 0.838 278 E CB 1.444 31.130 29.700 -0.023 0.000 1.066 278 E HN 0.552 nan 8.360 nan 0.000 0.401 279 L N 4.531 125.699 121.223 -0.090 0.000 2.416 279 L HA 0.224 4.564 4.340 0.000 0.000 0.216 279 L C 0.707 177.707 176.870 0.217 0.000 1.098 279 L CA 0.651 55.454 54.840 -0.061 0.000 0.840 279 L CB -0.187 41.748 42.059 -0.207 0.000 0.981 279 L HN 0.480 nan 8.230 nan 0.000 0.462 280 F N -1.253 118.707 119.950 0.016 0.000 2.377 280 F HA 0.307 4.834 4.527 0.000 0.000 0.335 280 F C 1.185 177.006 175.800 0.035 0.000 1.099 280 F CA -0.271 57.758 58.000 0.049 0.000 1.072 280 F CB 1.326 40.365 39.000 0.065 0.000 1.417 280 F HN -0.103 nan 8.300 nan 0.000 0.495 281 S N -1.121 114.723 115.700 0.240 0.000 3.078 281 S HA 0.117 4.587 4.470 0.000 0.000 0.248 281 S C -0.547 174.106 174.600 0.087 0.000 0.857 281 S CA -0.545 57.730 58.200 0.125 0.000 1.139 281 S CB -0.398 62.853 63.200 0.084 0.000 1.186 281 S HN 0.536 nan 8.310 nan 0.000 0.567 282 S N 1.291 117.058 115.700 0.111 0.000 2.687 282 S HA 0.536 5.006 4.470 0.000 0.000 0.283 282 S C 0.383 175.035 174.600 0.086 0.000 1.170 282 S CA -0.735 57.506 58.200 0.068 0.000 1.008 282 S CB 0.758 63.986 63.200 0.045 0.000 1.026 282 S HN 0.226 nan 8.310 nan 0.000 0.541 283 N N 0.708 119.445 118.700 0.060 0.000 2.270 283 N HA 0.145 4.885 4.740 0.000 0.000 0.198 283 N C -0.201 175.347 175.510 0.064 0.000 1.117 283 N CA 0.180 53.264 53.050 0.057 0.000 0.845 283 N CB 0.152 38.662 38.487 0.039 0.000 0.980 283 N HN 0.648 nan 8.380 nan 0.000 0.486 284 D N -0.095 120.354 120.400 0.082 0.000 2.932 284 D HA 0.108 4.748 4.640 0.000 0.000 0.294 284 D C 0.613 176.991 176.300 0.129 0.000 1.119 284 D CA 0.151 54.205 54.000 0.090 0.000 0.980 284 D CB 1.137 41.985 40.800 0.079 0.000 1.361 284 D HN 0.068 nan 8.370 nan 0.000 0.466 285 R N 1.501 122.106 120.500 0.176 0.000 2.549 285 R HA 0.501 4.841 4.340 0.000 0.000 0.267 285 R C -0.015 176.481 176.300 0.326 0.000 1.045 285 R CA -0.276 55.990 56.100 0.277 0.000 1.115 285 R CB 0.927 31.450 30.300 0.372 0.000 1.121 285 R HN 0.062 nan 8.270 nan 0.000 0.543 286 N N -0.135 118.715 118.700 0.249 0.000 2.371 286 N HA 0.197 4.937 4.740 0.000 0.000 0.280 286 N C -1.750 173.591 175.510 -0.282 0.000 1.084 286 N CA -0.414 52.662 53.050 0.043 0.000 0.892 286 N CB 2.556 41.059 38.487 0.027 0.000 1.653 286 N HN 0.449 nan 8.380 nan 0.000 0.480 287 C N 3.363 122.298 119.300 -0.608 0.000 2.432 287 C HA 0.559 5.019 4.460 0.000 0.000 0.334 287 C C -0.809 173.975 174.990 -0.344 0.000 1.155 287 C CA -0.542 58.078 59.018 -0.663 0.000 1.335 287 C CB -0.888 26.037 27.740 -1.358 0.000 1.964 287 C HN 0.591 nan 8.230 nan 0.000 0.444 288 I N 4.465 124.916 120.570 -0.199 0.000 2.440 288 I HA 0.335 4.505 4.170 0.000 0.000 0.294 288 I C 0.331 176.411 176.117 -0.062 0.000 0.995 288 I CA 0.183 61.408 61.300 -0.125 0.000 1.306 288 I CB 0.786 38.707 38.000 -0.133 0.000 1.407 288 I HN 0.703 nan 8.210 nan 0.000 0.501 289 H N 4.332 123.338 119.070 -0.107 0.000 2.638 289 H HA 0.612 5.168 4.556 0.000 0.000 0.303 289 H C -1.075 174.202 175.328 -0.085 0.000 1.034 289 H CA -0.201 55.830 56.048 -0.029 0.000 1.225 289 H CB 0.758 30.539 29.762 0.032 0.000 1.394 289 H HN 0.601 nan 8.280 nan 0.000 0.477 290 S N 4.278 119.785 115.700 -0.323 0.000 2.454 290 S HA 0.246 4.716 4.470 0.000 0.000 0.306 290 S C -0.577 173.803 174.600 -0.366 0.000 1.100 290 S CA -0.915 57.091 58.200 -0.324 0.000 1.087 290 S CB 1.354 64.348 63.200 -0.344 0.000 1.019 290 S HN 0.723 nan 8.310 nan 0.000 0.480 291 E N 1.911 121.893 120.200 -0.363 0.000 2.114 291 E HA 0.331 4.681 4.350 0.000 0.000 0.266 291 E C -1.324 175.113 176.600 -0.273 0.000 0.896 291 E CA -0.298 55.912 56.400 -0.316 0.000 0.750 291 E CB 0.908 30.391 29.700 -0.361 0.000 1.121 291 E HN 0.407 nan 8.360 nan 0.000 0.413 292 F N 1.758 121.617 119.950 -0.151 0.000 2.404 292 F HA 0.140 4.667 4.527 0.000 0.000 0.339 292 F C 0.783 176.556 175.800 -0.044 0.000 1.105 292 F CA -0.699 57.243 58.000 -0.096 0.000 1.087 292 F CB 0.894 39.831 39.000 -0.105 0.000 1.143 292 F HN 0.280 nan 8.300 nan 0.000 0.491 293 D N 4.548 125.038 120.400 0.150 0.000 2.380 293 D HA 0.196 4.836 4.640 0.000 0.000 0.230 293 D C 0.231 176.637 176.300 0.177 0.000 1.154 293 D CA 0.021 54.096 54.000 0.125 0.000 0.859 293 D CB 0.711 41.560 40.800 0.081 0.000 1.045 293 D HN 0.546 nan 8.370 nan 0.000 0.495 294 L N 2.937 124.235 121.223 0.126 0.000 2.700 294 L HA 0.016 4.356 4.340 0.000 0.000 0.234 294 L C 2.178 179.027 176.870 -0.035 0.000 1.156 294 L CA -0.092 54.770 54.840 0.036 0.000 0.946 294 L CB -0.078 41.957 42.059 -0.040 0.000 1.216 294 L HN 0.307 nan 8.230 nan 0.000 0.493 295 S N 0.016 115.741 115.700 0.042 0.000 2.382 295 S HA -0.141 4.329 4.470 0.000 0.000 0.228 295 S C 1.983 176.595 174.600 0.019 0.000 1.027 295 S CA 1.082 59.299 58.200 0.029 0.000 0.991 295 S CB -0.840 62.390 63.200 0.050 0.000 0.823 295 S HN 0.439 nan 8.310 nan 0.000 0.469 296 G N 1.499 110.350 108.800 0.084 0.000 2.687 296 G HA2 0.222 4.182 3.960 0.000 0.000 0.209 296 G HA3 0.222 4.182 3.960 0.000 0.000 0.209 296 G C 0.462 175.408 174.900 0.076 0.000 1.146 296 G CA 0.650 45.833 45.100 0.138 0.000 0.787 296 G HN 0.882 nan 8.290 nan 0.000 0.532 297 S N -0.987 114.609 115.700 -0.172 0.000 2.732 297 S HA 0.384 4.854 4.470 0.000 0.000 0.293 297 S C 0.179 174.692 174.600 -0.144 0.000 1.159 297 S CA -0.561 57.459 58.200 -0.299 0.000 0.847 297 S CB 1.376 63.878 63.200 -1.164 0.000 1.169 297 S HN 0.153 nan 8.310 nan 0.000 0.501 298 N N 0.335 119.015 118.700 -0.033 0.000 2.376 298 N HA 0.173 4.913 4.740 0.000 0.000 0.249 298 N C -0.572 174.952 175.510 0.025 0.000 1.140 298 N CA -0.311 52.746 53.050 0.012 0.000 0.870 298 N CB -0.348 38.166 38.487 0.045 0.000 1.124 298 N HN 0.672 nan 8.380 nan 0.000 0.505 299 I N 1.073 121.615 120.570 -0.046 0.000 2.379 299 I HA 0.101 4.271 4.170 0.000 0.000 0.290 299 I C 0.333 176.484 176.117 0.056 0.000 1.063 299 I CA -0.103 61.198 61.300 0.002 0.000 1.351 299 I CB 0.515 38.442 38.000 -0.122 0.000 1.410 299 I HN -0.142 nan 8.210 nan 0.000 0.505 300 K N 6.647 127.100 120.400 0.089 0.000 2.156 300 K HA 0.610 4.930 4.320 0.000 0.000 0.250 300 K C -1.186 175.515 176.600 0.168 0.000 0.955 300 K CA -0.771 55.570 56.287 0.089 0.000 0.855 300 K CB 2.236 34.752 32.500 0.026 0.000 1.101 300 K HN 0.516 nan 8.250 nan 0.000 0.434 301 Y N -2.399 117.908 120.300 0.012 0.000 2.544 301 Y HA 0.525 5.075 4.550 0.000 0.000 0.342 301 Y C -1.092 174.818 175.900 0.017 0.000 1.062 301 Y CA -1.016 57.095 58.100 0.018 0.000 1.023 301 Y CB 1.440 39.910 38.460 0.017 0.000 1.308 301 Y HN 0.391 nan 8.280 nan 0.000 0.457 302 S N 1.074 116.776 115.700 0.005 0.000 2.608 302 S HA 0.454 4.924 4.470 0.000 0.000 0.291 302 S C -0.645 173.997 174.600 0.070 0.000 1.146 302 S CA -0.940 57.220 58.200 -0.067 0.000 1.043 302 S CB 1.437 64.633 63.200 -0.007 0.000 1.037 302 S HN 0.717 nan 8.310 nan 0.000 0.520 303 T N 2.099 116.666 114.554 0.022 0.000 2.902 303 T HA 0.433 4.783 4.350 0.000 0.000 0.301 303 T C 1.349 176.201 174.700 0.254 0.000 1.012 303 T CA 0.878 63.072 62.100 0.156 0.000 1.151 303 T CB 0.176 69.094 68.868 0.083 0.000 0.946 303 T HN 1.146 nan 8.240 nan 0.000 0.542 304 G N 2.852 111.855 108.800 0.339 0.000 2.176 304 G HA2 -0.177 3.783 3.960 0.000 0.000 0.232 304 G HA3 -0.177 3.783 3.960 0.000 0.000 0.232 304 G C -0.019 174.996 174.900 0.192 0.000 0.986 304 G CA -0.249 45.096 45.100 0.408 0.000 0.643 304 G HN 0.646 nan 8.290 nan 0.000 0.522 305 D N -0.018 120.458 120.400 0.128 0.000 2.440 305 D HA 0.599 5.239 4.640 0.000 0.000 0.269 305 D C 0.571 176.834 176.300 -0.062 0.000 1.249 305 D CA 0.048 54.030 54.000 -0.030 0.000 1.055 305 D CB 0.316 41.182 40.800 0.110 0.000 1.104 305 D HN 0.529 nan 8.370 nan 0.000 0.561 306 H N -1.166 117.956 119.070 0.087 0.000 2.690 306 H HA 0.536 5.092 4.556 0.000 0.000 0.368 306 H C -0.923 174.373 175.328 -0.053 0.000 1.150 306 H CA -0.990 55.079 56.048 0.035 0.000 1.174 306 H CB 2.158 31.991 29.762 0.118 0.000 1.684 306 H HN 0.041 nan 8.280 nan 0.000 0.538 307 L N 1.766 122.996 121.223 0.013 0.000 2.334 307 L HA 0.706 5.046 4.340 0.000 0.000 0.276 307 L C -0.832 175.868 176.870 -0.282 0.000 1.014 307 L CA -0.492 54.234 54.840 -0.190 0.000 0.815 307 L CB 1.390 43.282 42.059 -0.279 0.000 1.268 307 L HN 0.774 nan 8.230 nan 0.000 0.428 308 A N 4.838 127.358 122.820 -0.500 0.000 2.287 308 A HA 0.704 5.024 4.320 0.000 0.000 0.317 308 A C -1.161 176.283 177.584 -0.232 0.000 1.220 308 A CA -0.527 51.117 52.037 -0.654 0.000 0.835 308 A CB 0.995 19.281 19.000 -1.191 0.000 1.180 308 A HN 0.472 nan 8.150 nan 0.000 0.500 309 V N 2.912 122.775 119.914 -0.085 0.000 2.394 309 V HA 0.269 4.389 4.120 0.000 0.000 0.282 309 V C -0.950 175.255 176.094 0.185 0.000 1.031 309 V CA -0.373 61.961 62.300 0.055 0.000 0.881 309 V CB 0.804 32.627 31.823 -0.000 0.000 0.982 309 V HN 0.848 nan 8.190 nan 0.000 0.451 310 W N 7.630 128.855 121.300 -0.125 0.000 2.342 310 W HA 0.476 5.136 4.660 0.000 0.000 0.310 310 W C -1.872 174.591 176.519 -0.094 0.000 1.128 310 W CA -2.605 54.699 57.345 -0.068 0.000 1.322 310 W CB -0.065 29.377 29.460 -0.029 0.000 1.251 310 W HN 0.351 nan 8.180 nan 0.000 0.439 311 P HA 0.427 nan 4.420 nan 0.000 0.284 311 P C -0.613 176.729 177.300 0.070 0.000 1.292 311 P CA -0.470 62.642 63.100 0.021 0.000 0.800 311 P CB 1.866 33.559 31.700 -0.011 0.000 1.188 312 S N -1.272 114.441 115.700 0.021 0.000 2.541 312 S HA 0.410 4.880 4.470 0.000 0.000 0.280 312 S C -0.383 174.266 174.600 0.083 0.000 1.112 312 S CA -0.933 57.268 58.200 0.001 0.000 0.925 312 S CB 0.352 63.538 63.200 -0.024 0.000 1.067 312 S HN 0.367 nan 8.310 nan 0.000 0.479 313 N N 2.050 120.745 118.700 -0.010 0.000 2.416 313 N HA 0.266 5.006 4.740 0.000 0.000 0.246 313 N C -2.676 172.849 175.510 0.024 0.000 1.260 313 N CA -0.876 52.191 53.050 0.028 0.000 0.897 313 N CB 0.182 38.616 38.487 -0.089 0.000 1.110 313 N HN 0.417 nan 8.380 nan 0.000 0.439 314 P HA 0.038 nan 4.420 nan 0.000 0.275 314 P C 0.367 177.398 177.300 -0.448 0.000 1.228 314 P CA -0.123 62.541 63.100 -0.726 0.000 0.786 314 P CB 0.685 31.975 31.700 -0.683 0.000 0.927 315 L N 1.699 122.593 121.223 -0.548 0.000 2.046 315 L HA -0.200 4.140 4.340 0.000 0.000 0.208 315 L C 2.214 178.908 176.870 -0.292 0.000 1.077 315 L CA 1.508 56.118 54.840 -0.382 0.000 0.747 315 L CB -0.894 40.897 42.059 -0.448 0.000 0.896 315 L HN 0.475 nan 8.230 nan 0.000 0.432 316 E N 0.300 120.288 120.200 -0.352 0.000 2.153 316 E HA -0.201 4.149 4.350 0.000 0.000 0.194 316 E C 1.731 178.264 176.600 -0.112 0.000 0.988 316 E CA 0.933 57.223 56.400 -0.184 0.000 0.811 316 E CB -0.337 29.268 29.700 -0.157 0.000 0.746 316 E HN 0.449 nan 8.360 nan 0.000 0.466 317 K N 0.907 121.229 120.400 -0.130 0.000 2.243 317 K HA 0.074 4.394 4.320 0.000 0.000 0.201 317 K C 2.303 178.902 176.600 -0.003 0.000 1.051 317 K CA 0.401 56.657 56.287 -0.053 0.000 0.970 317 K CB -0.281 32.181 32.500 -0.063 0.000 0.755 317 K HN 0.065 nan 8.250 nan 0.000 0.465 318 V N 1.718 121.602 119.914 -0.050 0.000 2.548 318 V HA -0.169 3.952 4.120 0.000 0.000 0.249 318 V C 2.075 178.206 176.094 0.062 0.000 1.055 318 V CA 1.497 63.791 62.300 -0.009 0.000 1.065 318 V CB -0.379 31.401 31.823 -0.072 0.000 0.681 318 V HN 0.329 nan 8.190 nan 0.000 0.462 319 E N -0.053 120.160 120.200 0.021 0.000 2.028 319 E HA -0.239 4.111 4.350 0.000 0.000 0.191 319 E C 2.353 178.992 176.600 0.064 0.000 0.988 319 E CA 1.321 57.744 56.400 0.038 0.000 0.799 319 E CB -0.199 29.505 29.700 0.007 0.000 0.755 319 E HN 0.649 nan 8.360 nan 0.000 0.447 320 Q N 0.025 119.853 119.800 0.046 0.000 2.096 320 Q HA -0.238 4.102 4.340 0.000 0.000 0.208 320 Q C 2.084 178.113 176.000 0.049 0.000 0.993 320 Q CA 1.688 57.508 55.803 0.027 0.000 0.862 320 Q CB -0.343 28.404 28.738 0.015 0.000 0.915 320 Q HN 0.239 nan 8.270 nan 0.000 0.416 321 F N 1.169 121.124 119.950 0.008 0.000 2.051 321 F HA -0.224 4.303 4.527 0.000 0.000 0.296 321 F C 2.047 177.960 175.800 0.189 0.000 1.122 321 F CA 1.381 59.443 58.000 0.103 0.000 1.201 321 F CB -0.280 38.807 39.000 0.145 0.000 0.978 321 F HN -0.036 nan 8.300 nan 0.000 0.472 322 L N -0.672 120.775 121.223 0.372 0.000 2.021 322 L HA -0.333 4.007 4.340 0.000 0.000 0.215 322 L C 2.756 179.706 176.870 0.134 0.000 1.074 322 L CA 1.819 56.817 54.840 0.263 0.000 0.760 322 L CB -1.112 41.060 42.059 0.189 0.000 0.889 322 L HN 0.281 nan 8.230 nan 0.000 0.433 323 S N 0.030 115.766 115.700 0.060 0.000 2.348 323 S HA -0.208 4.262 4.470 0.000 0.000 0.221 323 S C 1.957 176.524 174.600 -0.055 0.000 1.033 323 S CA 1.405 59.610 58.200 0.008 0.000 1.010 323 S CB -0.286 62.911 63.200 -0.005 0.000 0.891 323 S HN 0.293 nan 8.310 nan 0.000 0.442 324 I N 0.670 121.126 120.570 -0.191 0.000 2.454 324 I HA -0.006 4.164 4.170 0.000 0.000 0.254 324 I C 1.314 177.249 176.117 -0.303 0.000 1.156 324 I CA 1.428 62.544 61.300 -0.306 0.000 1.433 324 I CB -0.450 37.209 38.000 -0.567 0.000 1.082 324 I HN 0.397 nan 8.210 nan 0.000 0.432 325 F N -0.161 119.731 119.950 -0.095 0.000 2.746 325 F HA 0.193 4.720 4.527 0.000 0.000 0.297 325 F C 1.011 176.805 175.800 -0.010 0.000 1.113 325 F CA 0.175 58.136 58.000 -0.064 0.000 1.367 325 F CB -0.286 38.595 39.000 -0.198 0.000 1.111 325 F HN 0.053 nan 8.300 nan 0.000 0.590 326 N N 1.808 120.596 118.700 0.147 0.000 2.699 326 N HA -0.195 4.545 4.740 0.000 0.000 0.257 326 N C -1.151 174.428 175.510 0.115 0.000 1.077 326 N CA 0.250 53.362 53.050 0.104 0.000 0.702 326 N CB -1.269 37.265 38.487 0.079 0.000 0.886 326 N HN 0.252 nan 8.380 nan 0.000 0.549 327 L N 0.170 121.474 121.223 0.135 0.000 2.331 327 L HA 0.468 4.809 4.340 0.000 0.000 0.275 327 L C 0.371 177.311 176.870 0.116 0.000 1.022 327 L CA -1.009 53.906 54.840 0.126 0.000 0.812 327 L CB 1.369 43.523 42.059 0.157 0.000 1.257 327 L HN 0.203 nan 8.230 nan 0.000 0.435 328 D N 2.561 123.028 120.400 0.112 0.000 2.329 328 D HA 0.269 4.909 4.640 0.000 0.000 0.232 328 D C -1.870 174.501 176.300 0.118 0.000 1.088 328 D CA -2.092 51.969 54.000 0.103 0.000 0.835 328 D CB 1.986 42.842 40.800 0.093 0.000 1.078 328 D HN 0.097 nan 8.370 nan 0.000 0.495 329 P HA -0.182 nan 4.420 nan 0.000 0.216 329 P C 0.906 178.263 177.300 0.095 0.000 1.157 329 P CA 1.222 64.381 63.100 0.098 0.000 0.880 329 P CB 0.295 32.037 31.700 0.069 0.000 0.791 330 E N -0.975 119.272 120.200 0.078 0.000 2.204 330 E HA -0.074 4.276 4.350 0.000 0.000 0.195 330 E C 0.396 177.049 176.600 0.088 0.000 0.990 330 E CA 0.816 57.255 56.400 0.065 0.000 0.821 330 E CB -1.326 28.404 29.700 0.050 0.000 0.750 330 E HN 0.235 nan 8.360 nan 0.000 0.477 331 T N 2.921 117.552 114.554 0.129 0.000 2.596 331 T HA -0.077 4.273 4.350 0.000 0.000 0.252 331 T C 0.614 175.435 174.700 0.201 0.000 1.033 331 T CA 0.478 62.682 62.100 0.175 0.000 1.215 331 T CB -0.230 68.777 68.868 0.232 0.000 1.011 331 T HN 0.042 nan 8.240 nan 0.000 0.498 332 I N 5.688 126.328 120.570 0.117 0.000 2.395 332 I HA 0.480 4.650 4.170 0.000 0.000 0.289 332 I C 0.181 176.340 176.117 0.069 0.000 1.023 332 I CA -0.536 60.782 61.300 0.030 0.000 1.350 332 I CB 0.597 38.585 38.000 -0.021 0.000 1.409 332 I HN 0.588 nan 8.210 nan 0.000 0.507 333 F N 4.107 124.023 119.950 -0.058 0.000 2.692 333 F HA 0.802 5.329 4.527 0.000 0.000 0.320 333 F C -1.345 174.365 175.800 -0.149 0.000 1.123 333 F CA -1.082 56.789 58.000 -0.215 0.000 0.961 333 F CB 1.479 40.247 39.000 -0.388 0.000 1.383 333 F HN 0.311 nan 8.300 nan 0.000 0.483 334 D N 0.115 120.528 120.400 0.021 0.000 2.602 334 D HA 0.687 5.327 4.640 0.000 0.000 0.236 334 D C -1.925 174.432 176.300 0.096 0.000 1.209 334 D CA -0.334 53.670 54.000 0.007 0.000 0.831 334 D CB 2.421 43.195 40.800 -0.043 0.000 1.478 334 D HN 0.766 nan 8.370 nan 0.000 0.438 335 L N 1.587 122.845 121.223 0.058 0.000 2.386 335 L HA 0.540 4.880 4.340 0.000 0.000 0.271 335 L C -0.486 176.445 176.870 0.102 0.000 0.993 335 L CA -0.888 53.975 54.840 0.039 0.000 0.819 335 L CB 2.000 43.893 42.059 -0.278 0.000 1.294 335 L HN 0.255 nan 8.230 nan 0.000 0.414 336 K N 4.055 124.594 120.400 0.232 0.000 2.450 336 K HA 0.509 4.829 4.320 0.000 0.000 0.257 336 K C -2.664 174.133 176.600 0.327 0.000 0.953 336 K CA -1.744 54.673 56.287 0.216 0.000 0.844 336 K CB 2.094 34.676 32.500 0.136 0.000 1.103 336 K HN 0.137 nan 8.250 nan 0.000 0.429 337 P HA -0.038 nan 4.420 nan 0.000 0.265 337 P C 0.044 177.354 177.300 0.017 0.000 1.193 337 P CA 0.114 63.292 63.100 0.131 0.000 0.765 337 P CB 0.535 32.302 31.700 0.112 0.000 0.823 338 L N 1.952 123.115 121.223 -0.100 0.000 2.612 338 L HA 0.133 4.473 4.340 0.000 0.000 0.230 338 L C 0.444 177.285 176.870 -0.048 0.000 1.140 338 L CA 0.618 55.425 54.840 -0.055 0.000 0.896 338 L CB -0.688 41.326 42.059 -0.076 0.000 1.065 338 L HN 0.575 nan 8.230 nan 0.000 0.447 339 D N -4.401 115.970 120.400 -0.048 0.000 2.742 339 D HA 0.136 4.776 4.640 0.000 0.000 0.262 339 D C -2.468 173.825 176.300 -0.010 0.000 1.240 339 D CA -1.050 52.935 54.000 -0.025 0.000 0.752 339 D CB 0.926 41.707 40.800 -0.032 0.000 1.290 339 D HN -0.356 nan 8.370 nan 0.000 0.420 340 P HA -0.139 nan 4.420 nan 0.000 0.215 340 P C 1.289 178.613 177.300 0.041 0.000 1.157 340 P CA 2.738 65.853 63.100 0.026 0.000 0.874 340 P CB -0.190 31.527 31.700 0.027 0.000 0.790 341 T N -3.531 111.045 114.554 0.036 0.000 2.977 341 T HA -0.019 4.331 4.350 0.000 0.000 0.271 341 T C 0.797 175.530 174.700 0.054 0.000 1.105 341 T CA 0.328 62.465 62.100 0.061 0.000 1.116 341 T CB -1.123 67.764 68.868 0.033 0.000 0.878 341 T HN -0.161 nan 8.240 nan 0.000 0.509 342 V N 2.170 122.084 119.914 0.001 0.000 2.530 342 V HA 0.337 4.457 4.120 0.000 0.000 0.282 342 V C 0.210 176.342 176.094 0.063 0.000 1.048 342 V CA -0.836 61.441 62.300 -0.039 0.000 0.997 342 V CB 1.168 32.839 31.823 -0.254 0.000 0.987 342 V HN 0.360 nan 8.190 nan 0.000 0.477 343 K N 4.352 124.835 120.400 0.137 0.000 2.307 343 K HA 0.490 4.810 4.320 0.000 0.000 0.263 343 K C -0.884 175.874 176.600 0.264 0.000 0.973 343 K CA -0.623 55.765 56.287 0.168 0.000 0.846 343 K CB 1.825 34.398 32.500 0.121 0.000 1.100 343 K HN 0.482 nan 8.250 nan 0.000 0.438 344 V N 6.840 126.877 119.914 0.205 0.000 2.617 344 V HA -0.014 4.106 4.120 0.000 0.000 0.304 344 V C -1.510 174.466 176.094 -0.196 0.000 1.040 344 V CA -0.909 61.357 62.300 -0.056 0.000 1.149 344 V CB 0.799 32.516 31.823 -0.176 0.000 0.914 344 V HN 0.821 nan 8.190 nan 0.000 0.487 345 P HA -0.048 nan 4.420 nan 0.000 0.216 345 P C -0.182 176.933 177.300 -0.308 0.000 1.150 345 P CA 1.323 64.218 63.100 -0.341 0.000 0.837 345 P CB 0.131 31.575 31.700 -0.427 0.000 0.786 346 F N -5.493 114.314 119.950 -0.239 0.000 2.869 346 F HA 0.723 5.250 4.527 0.000 0.000 0.325 346 F C -3.187 172.397 175.800 -0.360 0.000 1.184 346 F CA -3.682 54.043 58.000 -0.459 0.000 0.951 346 F CB -0.733 37.643 39.000 -1.039 0.000 1.421 346 F HN -0.472 nan 8.300 nan 0.000 0.501 347 P HA 0.314 nan 4.420 nan 0.000 0.271 347 P C -0.774 176.628 177.300 0.170 0.000 1.226 347 P CA 0.117 63.252 63.100 0.059 0.000 0.765 347 P CB 0.889 32.635 31.700 0.077 0.000 0.835 348 T N 0.776 115.375 114.554 0.074 0.000 2.896 348 T HA 0.656 5.006 4.350 0.000 0.000 0.297 348 T C -2.898 171.790 174.700 -0.020 0.000 1.108 348 T CA -2.655 59.457 62.100 0.021 0.000 1.004 348 T CB 1.056 69.925 68.868 0.001 0.000 1.159 348 T HN -0.045 nan 8.240 nan 0.000 0.499 349 P HA 0.491 nan 4.420 nan 0.000 0.271 349 P C -0.285 176.898 177.300 -0.195 0.000 1.238 349 P CA -0.025 62.978 63.100 -0.161 0.000 0.794 349 P CB 0.444 32.063 31.700 -0.134 0.000 0.959 350 T N -1.786 112.518 114.554 -0.415 0.000 2.677 350 T HA 0.509 4.859 4.350 0.000 0.000 0.305 350 T C -1.354 173.042 174.700 -0.506 0.000 1.569 350 T CA -0.478 61.414 62.100 -0.346 0.000 0.984 350 T CB 0.516 69.264 68.868 -0.201 0.000 1.629 350 T HN 0.544 nan 8.240 nan 0.000 0.494 351 T N 0.236 114.641 114.554 -0.248 0.000 2.929 351 T HA 0.582 4.932 4.350 0.000 0.000 0.284 351 T C 1.711 176.484 174.700 0.122 0.000 1.014 351 T CA -0.774 61.284 62.100 -0.070 0.000 1.051 351 T CB 0.685 69.542 68.868 -0.019 0.000 1.028 351 T HN 0.516 nan 8.240 nan 0.000 0.485 352 I N 1.767 122.555 120.570 0.364 0.000 2.208 352 I HA -0.034 4.136 4.170 0.000 0.000 0.245 352 I C 2.757 178.985 176.117 0.185 0.000 1.097 352 I CA 1.676 63.229 61.300 0.422 0.000 1.363 352 I CB -0.699 37.495 38.000 0.323 0.000 1.051 352 I HN 0.947 nan 8.210 nan 0.000 0.413 353 G N 0.286 109.154 108.800 0.113 0.000 2.443 353 G HA2 -0.167 3.793 3.960 0.000 0.000 0.219 353 G HA3 -0.167 3.793 3.960 0.000 0.000 0.219 353 G C 1.801 176.689 174.900 -0.020 0.000 1.131 353 G CA 0.723 45.852 45.100 0.048 0.000 0.775 353 G HN 0.495 nan 8.290 nan 0.000 0.547 354 A N 0.723 123.518 122.820 -0.041 0.000 2.014 354 A HA 0.469 4.789 4.320 0.000 0.000 0.218 354 A C 2.637 180.024 177.584 -0.329 0.000 1.163 354 A CA 1.783 53.747 52.037 -0.122 0.000 0.652 354 A CB -0.342 18.558 19.000 -0.166 0.000 0.808 354 A HN 0.596 nan 8.150 nan 0.000 0.449 355 A N -0.378 122.304 122.820 -0.229 0.000 1.975 355 A HA 0.183 4.503 4.320 0.000 0.000 0.215 355 A C 1.893 179.355 177.584 -0.202 0.000 1.170 355 A CA 1.011 52.878 52.037 -0.284 0.000 0.656 355 A CB -0.350 18.601 19.000 -0.083 0.000 0.821 355 A HN 0.434 nan 8.150 nan 0.000 0.449 356 I N -0.956 119.525 120.570 -0.149 0.000 3.251 356 I HA -0.045 4.125 4.170 0.000 0.000 0.277 356 I C 2.201 178.178 176.117 -0.233 0.000 1.268 356 I CA 1.043 62.212 61.300 -0.218 0.000 1.449 356 I CB 0.104 38.022 38.000 -0.137 0.000 1.083 356 I HN 0.321 nan 8.210 nan 0.000 0.464 357 K N -0.498 119.754 120.400 -0.246 0.000 2.360 357 K HA 0.048 4.368 4.320 0.000 0.000 0.196 357 K C 1.295 177.545 176.600 -0.584 0.000 1.049 357 K CA 0.503 56.573 56.287 -0.363 0.000 1.049 357 K CB 0.467 32.755 32.500 -0.354 0.000 0.881 357 K HN 0.334 nan 8.250 nan 0.000 0.542 358 H N -2.026 116.860 119.070 -0.307 0.000 3.794 358 H HA 0.106 4.662 4.556 0.000 0.000 0.258 358 H C 0.490 175.720 175.328 -0.164 0.000 1.120 358 H CA 0.082 55.943 56.048 -0.311 0.000 1.166 358 H CB 0.559 29.980 29.762 -0.567 0.000 1.517 358 H HN 0.145 nan 8.280 nan 0.000 0.615 359 Y N 0.338 120.627 120.300 -0.019 0.000 2.581 359 Y HA 0.296 4.846 4.550 0.000 0.000 0.271 359 Y C 0.778 176.678 175.900 -0.000 0.000 1.100 359 Y CA -0.086 57.993 58.100 -0.036 0.000 1.281 359 Y CB 1.491 39.753 38.460 -0.330 0.000 1.237 359 Y HN -0.175 nan 8.280 nan 0.000 0.514 360 L N 1.176 122.440 121.223 0.069 0.000 2.325 360 L HA 0.307 4.647 4.340 0.000 0.000 0.278 360 L C 0.009 176.829 176.870 -0.084 0.000 1.023 360 L CA -0.793 54.041 54.840 -0.011 0.000 0.811 360 L CB 1.250 43.246 42.059 -0.106 0.000 1.249 360 L HN -0.014 nan 8.230 nan 0.000 0.431 361 E N 3.581 123.743 120.200 -0.063 0.000 1.852 361 E HA 0.071 4.421 4.350 0.000 0.000 0.276 361 E C 0.954 177.504 176.600 -0.084 0.000 1.163 361 E CA -0.095 56.269 56.400 -0.061 0.000 1.117 361 E CB 0.401 30.077 29.700 -0.040 0.000 1.124 361 E HN 0.550 nan 8.360 nan 0.000 0.458 362 I N -1.382 119.091 120.570 -0.162 0.000 3.334 362 I HA 0.044 4.214 4.170 0.000 0.000 0.282 362 I C 0.639 176.766 176.117 0.017 0.000 1.313 362 I CA 0.354 61.555 61.300 -0.164 0.000 1.396 362 I CB 0.282 38.011 38.000 -0.452 0.000 1.054 362 I HN -0.088 nan 8.210 nan 0.000 0.495 363 T N 1.166 115.723 114.554 0.004 0.000 2.885 363 T HA 0.742 5.092 4.350 0.000 0.000 0.285 363 T C -0.165 174.560 174.700 0.041 0.000 1.019 363 T CA 0.356 62.478 62.100 0.038 0.000 1.010 363 T CB 1.583 70.467 68.868 0.026 0.000 1.022 363 T HN 0.741 nan 8.240 nan 0.000 0.466 364 G N 3.799 112.635 108.800 0.061 0.000 2.355 364 G HA2 0.115 4.075 3.960 0.000 0.000 0.619 364 G HA3 0.115 4.075 3.960 0.000 0.000 0.619 364 G C -3.239 171.695 174.900 0.057 0.000 1.337 364 G CA -1.287 43.847 45.100 0.058 0.000 0.993 364 G HN 0.654 nan 8.290 nan 0.000 0.599 365 P HA 0.339 nan 4.420 nan 0.000 0.262 365 P C 0.237 177.560 177.300 0.039 0.000 1.182 365 P CA -0.285 62.827 63.100 0.020 0.000 0.761 365 P CB 0.836 32.543 31.700 0.013 0.000 0.795 366 V N 3.428 123.371 119.914 0.048 0.000 2.488 366 V HA 0.122 4.242 4.120 0.000 0.000 0.277 366 V C 0.879 177.059 176.094 0.144 0.000 1.046 366 V CA -0.023 62.319 62.300 0.071 0.000 0.986 366 V CB 1.057 32.889 31.823 0.015 0.000 0.989 366 V HN 0.577 nan 8.190 nan 0.000 0.475 367 S N 4.151 119.892 115.700 0.068 0.000 2.580 367 S HA 0.243 4.713 4.470 0.000 0.000 0.274 367 S C 1.223 175.722 174.600 -0.168 0.000 1.329 367 S CA -0.346 57.870 58.200 0.027 0.000 1.036 367 S CB 0.723 63.948 63.200 0.042 0.000 0.919 367 S HN 0.748 nan 8.310 nan 0.000 0.515 368 R N 1.398 121.614 120.500 -0.473 0.000 2.081 368 R HA -0.108 4.232 4.340 0.000 0.000 0.235 368 R C 2.243 178.398 176.300 -0.241 0.000 1.131 368 R CA 1.756 57.305 56.100 -0.918 0.000 0.960 368 R CB -0.375 29.389 30.300 -0.892 0.000 0.856 368 R HN 0.741 nan 8.270 nan 0.000 0.436 369 Q N 0.659 120.429 119.800 -0.050 0.000 2.197 369 Q HA -0.178 4.162 4.340 0.000 0.000 0.207 369 Q C 1.806 177.892 176.000 0.143 0.000 0.984 369 Q CA 1.397 57.256 55.803 0.094 0.000 0.869 369 Q CB -0.409 28.449 28.738 0.200 0.000 0.906 369 Q HN 0.315 nan 8.270 nan 0.000 0.426 370 L N -0.593 120.707 121.223 0.129 0.000 2.093 370 L HA -0.107 4.233 4.340 0.000 0.000 0.208 370 L C 1.963 179.053 176.870 0.367 0.000 1.085 370 L CA 1.684 56.647 54.840 0.205 0.000 0.755 370 L CB -0.949 41.204 42.059 0.156 0.000 0.904 370 L HN 0.400 nan 8.230 nan 0.000 0.435 371 F N -0.207 119.819 119.950 0.126 0.000 2.075 371 F HA -0.284 4.243 4.527 0.000 0.000 0.297 371 F C 2.929 178.813 175.800 0.139 0.000 1.113 371 F CA 1.160 59.251 58.000 0.151 0.000 1.218 371 F CB -0.164 38.940 39.000 0.173 0.000 0.984 371 F HN 0.142 nan 8.300 nan 0.000 0.472 372 S N -0.538 115.341 115.700 0.299 0.000 2.402 372 S HA -0.204 4.266 4.470 0.000 0.000 0.233 372 S C 2.017 176.725 174.600 0.181 0.000 1.030 372 S CA 1.660 59.970 58.200 0.183 0.000 1.003 372 S CB -0.335 62.940 63.200 0.125 0.000 0.813 372 S HN 0.240 nan 8.310 nan 0.000 0.477 373 S N 0.534 116.388 115.700 0.256 0.000 2.461 373 S HA 0.237 4.707 4.470 0.000 0.000 0.228 373 S C 1.383 176.172 174.600 0.315 0.000 1.005 373 S CA 0.363 58.763 58.200 0.334 0.000 0.942 373 S CB -0.094 63.392 63.200 0.477 0.000 0.776 373 S HN 0.458 nan 8.310 nan 0.000 0.514 374 L N 0.872 122.270 121.223 0.291 0.000 2.591 374 L HA 0.224 4.564 4.340 0.000 0.000 0.228 374 L C 1.566 178.537 176.870 0.169 0.000 1.133 374 L CA 0.120 55.109 54.840 0.248 0.000 0.880 374 L CB -0.330 41.888 42.059 0.266 0.000 1.033 374 L HN 0.304 nan 8.230 nan 0.000 0.450 375 I N -0.126 120.491 120.570 0.078 0.000 2.208 375 I HA -0.356 3.814 4.170 0.000 0.000 0.245 375 I C 2.440 178.485 176.117 -0.120 0.000 1.097 375 I CA 1.478 62.783 61.300 0.008 0.000 1.363 375 I CB -0.299 37.698 38.000 -0.004 0.000 1.051 375 I HN 0.426 nan 8.210 nan 0.000 0.413 376 Q N 0.523 120.141 119.800 -0.304 0.000 2.045 376 Q HA -0.208 4.132 4.340 0.000 0.000 0.206 376 Q C 1.285 176.890 176.000 -0.659 0.000 0.991 376 Q CA 1.760 57.182 55.803 -0.635 0.000 0.851 376 Q CB -0.329 27.677 28.738 -1.219 0.000 0.911 376 Q HN 0.479 nan 8.270 nan 0.000 0.418 377 F N 0.422 120.326 119.950 -0.075 0.000 2.777 377 F HA 0.384 4.911 4.527 0.000 0.000 0.291 377 F C 0.399 176.211 175.800 0.019 0.000 1.187 377 F CA -0.659 57.316 58.000 -0.042 0.000 1.406 377 F CB -0.270 38.677 39.000 -0.089 0.000 0.982 377 F HN -0.084 nan 8.300 nan 0.000 0.509 378 A N 0.982 123.819 122.820 0.029 0.000 2.450 378 A HA 0.289 4.609 4.320 0.000 0.000 0.255 378 A C -1.201 176.175 177.584 -0.347 0.000 1.096 378 A CA -1.077 50.841 52.037 -0.199 0.000 0.778 378 A CB 0.156 19.065 19.000 -0.151 0.000 1.031 378 A HN 0.186 nan 8.150 nan 0.000 0.494 379 P HA -0.181 nan 4.420 nan 0.000 0.217 379 P C 0.284 177.396 177.300 -0.313 0.000 1.162 379 P CA 2.051 64.840 63.100 -0.519 0.000 0.901 379 P CB 0.037 31.260 31.700 -0.794 0.000 0.793 380 N N -3.487 115.030 118.700 -0.305 0.000 3.102 380 N HA 0.364 5.104 4.740 0.000 0.000 0.299 380 N C 0.533 175.943 175.510 -0.166 0.000 1.482 380 N CA -0.208 52.724 53.050 -0.197 0.000 0.785 380 N CB 0.535 38.916 38.487 -0.176 0.000 1.680 380 N HN -0.147 nan 8.380 nan 0.000 0.594 381 A N -0.349 122.399 122.820 -0.120 0.000 1.968 381 A HA -0.154 4.166 4.320 0.000 0.000 0.217 381 A C 1.623 179.154 177.584 -0.088 0.000 1.169 381 A CA 1.632 53.613 52.037 -0.095 0.000 0.638 381 A CB -0.673 18.284 19.000 -0.072 0.000 0.812 381 A HN 0.796 nan 8.150 nan 0.000 0.446 382 D N -0.112 120.231 120.400 -0.094 0.000 2.117 382 D HA -0.101 4.539 4.640 0.000 0.000 0.198 382 D C 1.939 178.186 176.300 -0.089 0.000 0.982 382 D CA 1.539 55.491 54.000 -0.080 0.000 0.828 382 D CB 0.094 40.846 40.800 -0.080 0.000 0.967 382 D HN 0.188 nan 8.370 nan 0.000 0.464 383 V N 1.084 120.917 119.914 -0.136 0.000 2.358 383 V HA -0.174 3.946 4.120 0.000 0.000 0.246 383 V C 2.644 178.675 176.094 -0.106 0.000 1.047 383 V CA 1.521 63.732 62.300 -0.149 0.000 1.035 383 V CB -0.484 31.158 31.823 -0.303 0.000 0.658 383 V HN 0.184 nan 8.190 nan 0.000 0.452 384 K N -0.148 120.177 120.400 -0.124 0.000 2.211 384 K HA -0.277 4.043 4.320 0.000 0.000 0.204 384 K C 2.061 178.637 176.600 -0.040 0.000 1.047 384 K CA 1.862 58.102 56.287 -0.078 0.000 0.935 384 K CB 0.024 32.470 32.500 -0.091 0.000 0.728 384 K HN 0.462 nan 8.250 nan 0.000 0.452 385 E N 1.160 121.336 120.200 -0.041 0.000 2.021 385 E HA -0.114 4.236 4.350 0.000 0.000 0.189 385 E C 1.487 178.091 176.600 0.006 0.000 0.980 385 E CA 1.680 58.070 56.400 -0.017 0.000 0.803 385 E CB 0.045 29.732 29.700 -0.021 0.000 0.766 385 E HN 0.193 nan 8.360 nan 0.000 0.449 386 K N 0.324 120.727 120.400 0.004 0.000 2.089 386 K HA -0.178 4.143 4.320 0.000 0.000 0.210 386 K C 2.331 178.964 176.600 0.054 0.000 1.048 386 K CA 1.466 57.775 56.287 0.036 0.000 0.926 386 K CB -0.365 32.150 32.500 0.024 0.000 0.714 386 K HN 0.202 nan 8.250 nan 0.000 0.448 387 L N 0.770 122.000 121.223 0.012 0.000 2.017 387 L HA -0.194 4.146 4.340 0.000 0.000 0.208 387 L C 2.295 179.195 176.870 0.050 0.000 1.073 387 L CA 1.437 56.263 54.840 -0.023 0.000 0.745 387 L CB -0.477 41.572 42.059 -0.017 0.000 0.894 387 L HN 0.266 nan 8.230 nan 0.000 0.432 388 T N -0.032 114.548 114.554 0.043 0.000 2.788 388 T HA -0.182 4.168 4.350 0.000 0.000 0.268 388 T C 1.772 176.518 174.700 0.078 0.000 1.044 388 T CA 1.107 63.238 62.100 0.052 0.000 1.139 388 T CB -0.099 68.784 68.868 0.025 0.000 0.867 388 T HN 0.052 nan 8.240 nan 0.000 0.454 389 L N 0.530 121.805 121.223 0.086 0.000 2.007 389 L HA 0.111 4.451 4.340 0.000 0.000 0.205 389 L C 2.353 179.320 176.870 0.162 0.000 1.073 389 L CA 1.413 56.316 54.840 0.105 0.000 0.744 389 L CB -0.771 41.347 42.059 0.097 0.000 0.898 389 L HN 0.227 nan 8.230 nan 0.000 0.435 390 L N -0.725 120.635 121.223 0.229 0.000 2.129 390 L HA -0.244 4.096 4.340 0.000 0.000 0.212 390 L C 2.494 179.587 176.870 0.372 0.000 1.087 390 L CA 1.537 56.607 54.840 0.382 0.000 0.757 390 L CB -0.693 41.711 42.059 0.575 0.000 0.896 390 L HN 0.477 nan 8.230 nan 0.000 0.434 391 S N -1.037 114.832 115.700 0.283 0.000 2.555 391 S HA -0.085 4.385 4.470 0.000 0.000 0.230 391 S C 1.578 176.230 174.600 0.086 0.000 0.978 391 S CA 0.593 58.904 58.200 0.186 0.000 0.934 391 S CB -0.014 63.293 63.200 0.179 0.000 0.766 391 S HN 0.474 nan 8.310 nan 0.000 0.533 392 K N -0.125 120.334 120.400 0.098 0.000 2.474 392 K HA 0.212 4.532 4.320 0.000 0.000 0.202 392 K C -0.319 176.324 176.600 0.072 0.000 1.248 392 K CA -0.002 56.324 56.287 0.064 0.000 0.946 392 K CB 0.283 32.817 32.500 0.057 0.000 1.102 392 K HN 0.197 nan 8.250 nan 0.000 0.541 393 D N 2.501 122.967 120.400 0.111 0.000 2.396 393 D HA 0.038 4.678 4.640 0.000 0.000 0.225 393 D C 0.671 177.061 176.300 0.150 0.000 1.121 393 D CA 0.078 54.148 54.000 0.116 0.000 0.853 393 D CB 1.291 42.165 40.800 0.122 0.000 1.043 393 D HN -0.003 nan 8.370 nan 0.000 0.500 394 K N 3.311 123.778 120.400 0.112 0.000 2.020 394 K HA -0.243 4.077 4.320 0.000 0.000 0.212 394 K C 0.493 177.198 176.600 0.176 0.000 1.050 394 K CA 2.004 58.368 56.287 0.128 0.000 0.929 394 K CB 0.186 32.738 32.500 0.086 0.000 0.714 394 K HN 0.292 nan 8.250 nan 0.000 0.443 395 D N 0.096 120.574 120.400 0.130 0.000 2.097 395 D HA -0.193 4.448 4.640 0.000 0.000 0.197 395 D C 2.113 178.486 176.300 0.121 0.000 0.984 395 D CA 1.274 55.339 54.000 0.109 0.000 0.826 395 D CB -0.139 40.708 40.800 0.078 0.000 0.973 395 D HN 0.385 nan 8.370 nan 0.000 0.460 396 Q N -0.540 119.345 119.800 0.143 0.000 2.096 396 Q HA -0.218 4.122 4.340 0.000 0.000 0.204 396 Q C 1.867 177.976 176.000 0.182 0.000 0.982 396 Q CA 1.147 57.040 55.803 0.150 0.000 0.850 396 Q CB -0.245 28.593 28.738 0.167 0.000 0.901 396 Q HN 0.352 nan 8.270 nan 0.000 0.422 397 F N 0.348 120.356 119.950 0.097 0.000 2.134 397 F HA -0.141 4.387 4.527 0.000 0.000 0.299 397 F C 1.953 177.760 175.800 0.012 0.000 1.097 397 F CA 1.479 59.536 58.000 0.095 0.000 1.264 397 F CB -0.464 38.586 39.000 0.083 0.000 1.001 397 F HN 0.166 nan 8.300 nan 0.000 0.479 398 A N -0.491 122.365 122.820 0.061 0.000 1.898 398 A HA -0.084 4.236 4.320 0.000 0.000 0.216 398 A C 2.315 179.803 177.584 -0.160 0.000 1.181 398 A CA 1.727 53.719 52.037 -0.075 0.000 0.620 398 A CB -1.291 17.727 19.000 0.031 0.000 0.819 398 A HN 0.262 nan 8.150 nan 0.000 0.442 399 V N 0.008 119.875 119.914 -0.077 0.000 2.358 399 V HA -0.207 3.913 4.120 0.000 0.000 0.246 399 V C 2.335 178.343 176.094 -0.142 0.000 1.047 399 V CA 2.263 64.515 62.300 -0.080 0.000 1.035 399 V CB -0.559 31.261 31.823 -0.005 0.000 0.658 399 V HN 0.643 nan 8.190 nan 0.000 0.452 400 E N -1.178 118.944 120.200 -0.131 0.000 2.250 400 E HA 0.009 4.359 4.350 0.000 0.000 0.192 400 E C 1.581 177.927 176.600 -0.424 0.000 0.986 400 E CA 0.766 57.061 56.400 -0.175 0.000 0.849 400 E CB 0.324 30.079 29.700 0.092 0.000 0.797 400 E HN 0.516 nan 8.360 nan 0.000 0.482 401 I N -0.859 119.398 120.570 -0.522 0.000 3.674 401 I HA -0.061 4.109 4.170 0.000 0.000 0.248 401 I C 2.099 177.766 176.117 -0.751 0.000 1.134 401 I CA 0.569 61.459 61.300 -0.684 0.000 1.519 401 I CB -0.508 37.020 38.000 -0.787 0.000 1.598 401 I HN -0.151 nan 8.210 nan 0.000 0.442 402 T N 1.304 115.435 114.554 -0.704 0.000 2.565 402 T HA -0.265 4.085 4.350 0.000 0.000 0.265 402 T C 2.026 176.416 174.700 -0.517 0.000 1.082 402 T CA 2.766 64.575 62.100 -0.485 0.000 1.173 402 T CB -0.649 68.050 68.868 -0.282 0.000 0.864 402 T HN 0.514 nan 8.240 nan 0.000 0.425 403 S N 1.646 117.100 115.700 -0.411 0.000 2.402 403 S HA -0.168 4.302 4.470 0.000 0.000 0.233 403 S C 1.698 176.150 174.600 -0.246 0.000 1.030 403 S CA 1.254 59.273 58.200 -0.301 0.000 1.003 403 S CB -0.473 62.616 63.200 -0.184 0.000 0.813 403 S HN 0.562 nan 8.310 nan 0.000 0.477 404 K N -0.146 119.956 120.400 -0.496 0.000 2.487 404 K HA 0.158 4.478 4.320 0.000 0.000 0.192 404 K C -0.698 175.772 176.600 -0.216 0.000 1.027 404 K CA 0.007 55.987 56.287 -0.513 0.000 1.054 404 K CB -0.268 31.468 32.500 -1.274 0.000 0.824 404 K HN 0.368 nan 8.250 nan 0.000 0.510 405 Y N -0.347 119.756 120.300 -0.329 0.000 3.125 405 Y HA -0.255 4.295 4.550 0.000 0.000 0.200 405 Y C -0.240 175.689 175.900 0.048 0.000 1.373 405 Y CA 0.031 58.075 58.100 -0.093 0.000 1.180 405 Y CB -2.791 35.667 38.460 -0.004 0.000 1.381 405 Y HN 0.079 nan 8.280 nan 0.000 0.501 406 F N 0.515 120.449 119.950 -0.027 0.000 2.382 406 F HA 0.255 4.782 4.527 0.000 0.000 0.331 406 F C 1.099 176.895 175.800 -0.006 0.000 1.121 406 F CA -0.827 57.158 58.000 -0.025 0.000 1.183 406 F CB 0.700 39.650 39.000 -0.083 0.000 1.207 406 F HN 0.124 nan 8.300 nan 0.000 0.555 407 N N 1.318 120.145 118.700 0.212 0.000 2.502 407 N HA 0.337 5.077 4.740 0.000 0.000 0.280 407 N C 1.125 176.702 175.510 0.113 0.000 1.223 407 N CA -0.486 52.645 53.050 0.136 0.000 0.966 407 N CB 1.438 39.992 38.487 0.112 0.000 1.203 407 N HN 0.506 nan 8.380 nan 0.000 0.565 408 I N 1.008 121.663 120.570 0.142 0.000 2.163 408 I HA -0.294 3.876 4.170 0.000 0.000 0.243 408 I C 2.312 178.412 176.117 -0.028 0.000 1.085 408 I CA 1.414 62.790 61.300 0.127 0.000 1.347 408 I CB -0.365 37.791 38.000 0.261 0.000 1.044 408 I HN 0.570 nan 8.210 nan 0.000 0.408 409 A N 0.916 123.718 122.820 -0.031 0.000 1.873 409 A HA -0.286 4.034 4.320 0.000 0.000 0.218 409 A C 2.023 179.459 177.584 -0.247 0.000 1.193 409 A CA 2.346 54.248 52.037 -0.225 0.000 0.629 409 A CB -0.822 18.127 19.000 -0.084 0.000 0.826 409 A HN 0.414 nan 8.150 nan 0.000 0.447 410 D N 0.062 120.340 120.400 -0.203 0.000 2.103 410 D HA -0.157 4.483 4.640 0.000 0.000 0.190 410 D C 2.320 178.251 176.300 -0.616 0.000 0.997 410 D CA 1.742 55.498 54.000 -0.408 0.000 0.833 410 D CB -0.660 39.903 40.800 -0.395 0.000 0.961 410 D HN 0.445 nan 8.370 nan 0.000 0.447 411 A N 1.623 124.190 122.820 -0.422 0.000 1.859 411 A HA -0.198 4.122 4.320 0.000 0.000 0.217 411 A C 2.518 180.131 177.584 0.048 0.000 1.198 411 A CA 1.375 53.368 52.037 -0.074 0.000 0.629 411 A CB -1.035 18.152 19.000 0.312 0.000 0.830 411 A HN 0.211 nan 8.150 nan 0.000 0.446 412 L N -0.724 120.428 121.223 -0.118 0.000 2.042 412 L HA -0.251 4.089 4.340 0.000 0.000 0.210 412 L C 2.706 179.584 176.870 0.013 0.000 1.076 412 L CA 2.208 56.856 54.840 -0.320 0.000 0.749 412 L CB -0.659 40.782 42.059 -1.030 0.000 0.893 412 L HN 0.563 nan 8.230 nan 0.000 0.432 413 K N -0.262 120.084 120.400 -0.090 0.000 2.057 413 K HA -0.264 4.056 4.320 0.000 0.000 0.207 413 K C 2.328 178.941 176.600 0.021 0.000 1.049 413 K CA 1.568 57.845 56.287 -0.017 0.000 0.931 413 K CB -0.319 32.120 32.500 -0.103 0.000 0.714 413 K HN 0.149 nan 8.250 nan 0.000 0.440 414 Y N 1.560 121.777 120.300 -0.138 0.000 2.128 414 Y HA -0.244 4.306 4.550 0.000 0.000 0.284 414 Y C 1.733 177.665 175.900 0.054 0.000 1.154 414 Y CA 1.745 59.806 58.100 -0.063 0.000 1.149 414 Y CB -0.337 38.058 38.460 -0.108 0.000 0.976 414 Y HN 0.023 nan 8.280 nan 0.000 0.505 415 L N -0.963 120.257 121.223 -0.005 0.000 2.093 415 L HA -0.203 4.138 4.340 0.000 0.000 0.208 415 L C 2.277 179.117 176.870 -0.051 0.000 1.085 415 L CA 1.680 56.491 54.840 -0.049 0.000 0.755 415 L CB -0.533 41.635 42.059 0.181 0.000 0.904 415 L HN 0.139 nan 8.230 nan 0.000 0.435 416 S N -1.561 114.178 115.700 0.065 0.000 2.558 416 S HA -0.049 4.421 4.470 0.000 0.000 0.217 416 S C 0.291 174.848 174.600 -0.073 0.000 0.975 416 S CA -0.046 58.133 58.200 -0.034 0.000 0.912 416 S CB -0.045 63.160 63.200 0.008 0.000 0.776 416 S HN 0.362 nan 8.310 nan 0.000 0.526 417 D N 0.388 120.741 120.400 -0.077 0.000 2.837 417 D HA -0.186 4.454 4.640 0.000 0.000 0.230 417 D C 0.998 177.270 176.300 -0.047 0.000 1.152 417 D CA 1.190 55.146 54.000 -0.074 0.000 0.736 417 D CB -1.370 39.379 40.800 -0.086 0.000 1.084 417 D HN 0.638 nan 8.370 nan 0.000 0.429 418 G N -0.955 107.830 108.800 -0.025 0.000 2.313 418 G HA2 -0.168 3.792 3.960 0.000 0.000 0.215 418 G HA3 -0.168 3.792 3.960 0.000 0.000 0.215 418 G C 0.565 175.448 174.900 -0.027 0.000 1.023 418 G CA 0.460 45.546 45.100 -0.022 0.000 0.626 418 G HN 1.319 nan 8.290 nan 0.000 0.503 419 A N 1.814 124.594 122.820 -0.066 0.000 2.591 419 A HA 0.401 4.721 4.320 0.000 0.000 0.244 419 A C 0.789 178.303 177.584 -0.117 0.000 1.031 419 A CA 1.022 52.984 52.037 -0.125 0.000 0.767 419 A CB 0.056 18.928 19.000 -0.213 0.000 0.942 419 A HN 0.507 nan 8.150 nan 0.000 0.514 420 K N 1.968 122.318 120.400 -0.083 0.000 2.218 420 K HA 0.119 4.439 4.320 0.000 0.000 0.276 420 K C -0.967 175.607 176.600 -0.043 0.000 1.022 420 K CA 0.023 56.316 56.287 0.010 0.000 0.946 420 K CB 0.784 33.295 32.500 0.019 0.000 1.000 420 K HN 0.759 nan 8.250 nan 0.000 0.468 421 W N 2.781 124.035 121.300 -0.076 0.000 2.269 421 W HA 0.084 4.744 4.660 0.000 0.000 0.402 421 W C 0.349 176.908 176.519 0.068 0.000 0.654 421 W CA -0.672 56.675 57.345 0.004 0.000 2.299 421 W CB -0.624 28.850 29.460 0.024 0.000 1.621 421 W HN 0.638 nan 8.180 nan 0.000 0.677 422 D N -1.952 118.542 120.400 0.156 0.000 2.371 422 D HA -0.085 4.555 4.640 0.000 0.000 0.234 422 D C 0.947 177.289 176.300 0.070 0.000 1.049 422 D CA 0.589 54.655 54.000 0.110 0.000 0.907 422 D CB -0.550 40.284 40.800 0.057 0.000 0.891 422 D HN 0.005 nan 8.370 nan 0.000 0.531 423 T N -0.334 114.273 114.554 0.089 0.000 3.176 423 T HA 0.223 4.574 4.350 0.000 0.000 0.263 423 T C 0.296 174.984 174.700 -0.020 0.000 1.021 423 T CA -0.415 61.727 62.100 0.071 0.000 0.905 423 T CB 0.383 69.321 68.868 0.117 0.000 1.057 423 T HN -0.016 nan 8.240 nan 0.000 0.558 424 V N 3.345 123.193 119.914 -0.111 0.000 2.427 424 V HA 0.405 4.525 4.120 0.000 0.000 0.286 424 V C -2.427 173.412 176.094 -0.426 0.000 1.034 424 V CA -2.311 59.707 62.300 -0.469 0.000 0.893 424 V CB 1.344 33.047 31.823 -0.200 0.000 0.982 424 V HN 0.122 nan 8.190 nan 0.000 0.452 425 P HA 0.334 nan 4.420 nan 0.000 0.290 425 P C 0.736 177.822 177.300 -0.357 0.000 1.276 425 P CA -0.659 62.211 63.100 -0.383 0.000 0.808 425 P CB 0.753 32.285 31.700 -0.280 0.000 0.966 426 M N 1.882 121.228 119.600 -0.424 0.000 2.195 426 M HA -0.202 4.278 4.480 0.000 0.000 0.260 426 M C 1.493 177.610 176.300 -0.305 0.000 1.066 426 M CA 2.076 57.152 55.300 -0.374 0.000 1.089 426 M CB -1.010 31.335 32.600 -0.424 0.000 1.377 426 M HN 0.455 nan 8.290 nan 0.000 0.411 427 Q N -1.830 117.775 119.800 -0.326 0.000 2.084 427 Q HA -0.198 4.142 4.340 0.000 0.000 0.202 427 Q C 1.971 177.997 176.000 0.043 0.000 0.978 427 Q CA 1.569 57.359 55.803 -0.022 0.000 0.844 427 Q CB -0.631 28.188 28.738 0.135 0.000 0.898 427 Q HN 0.461 nan 8.270 nan 0.000 0.426 428 F N 1.936 121.705 119.950 -0.301 0.000 2.069 428 F HA -0.182 4.345 4.527 0.000 0.000 0.298 428 F C 1.814 177.377 175.800 -0.395 0.000 1.113 428 F CA 1.346 58.913 58.000 -0.721 0.000 1.214 428 F CB -0.175 38.244 39.000 -0.969 0.000 0.978 428 F HN -0.055 nan 8.300 nan 0.000 0.474 429 L N -0.744 120.311 121.223 -0.280 0.000 2.046 429 L HA -0.220 4.120 4.340 0.000 0.000 0.208 429 L C 2.404 179.184 176.870 -0.149 0.000 1.077 429 L CA 1.052 55.746 54.840 -0.242 0.000 0.747 429 L CB -1.086 40.864 42.059 -0.182 0.000 0.896 429 L HN 0.038 nan 8.230 nan 0.000 0.432 430 V N 0.088 119.956 119.914 -0.078 0.000 2.490 430 V HA -0.238 3.882 4.120 0.000 0.000 0.250 430 V C 2.040 178.132 176.094 -0.003 0.000 1.061 430 V CA 1.741 64.062 62.300 0.036 0.000 1.064 430 V CB -0.389 31.466 31.823 0.054 0.000 0.670 430 V HN 0.507 nan 8.190 nan 0.000 0.461 431 E N -1.119 119.048 120.200 -0.055 0.000 2.474 431 E HA 0.079 4.429 4.350 0.000 0.000 0.195 431 E C 1.721 178.202 176.600 -0.198 0.000 1.039 431 E CA 0.399 56.789 56.400 -0.018 0.000 0.881 431 E CB 0.435 30.229 29.700 0.156 0.000 0.970 431 E HN 0.445 nan 8.360 nan 0.000 0.486 432 S N 0.085 115.559 115.700 -0.377 0.000 2.549 432 S HA 0.118 4.588 4.470 0.000 0.000 0.225 432 S C 0.353 174.818 174.600 -0.225 0.000 1.039 432 S CA -0.198 57.734 58.200 -0.447 0.000 0.942 432 S CB 1.209 63.799 63.200 -1.016 0.000 0.881 432 S HN -0.088 nan 8.310 nan 0.000 0.503 433 V N 4.276 124.106 119.914 -0.140 0.000 2.370 433 V HA 0.363 4.483 4.120 0.000 0.000 0.283 433 V C -2.561 173.499 176.094 -0.057 0.000 1.023 433 V CA -2.257 60.009 62.300 -0.056 0.000 0.857 433 V CB 1.033 32.853 31.823 -0.004 0.000 0.985 433 V HN 0.085 nan 8.190 nan 0.000 0.443 434 P HA -0.009 nan 4.420 nan 0.000 0.264 434 P C -0.293 176.983 177.300 -0.040 0.000 1.179 434 P CA 0.074 63.124 63.100 -0.084 0.000 0.763 434 P CB 0.301 31.935 31.700 -0.111 0.000 0.806 435 Q N 1.944 121.728 119.800 -0.027 0.000 2.364 435 Q HA 0.132 4.472 4.340 0.000 0.000 0.267 435 Q C 0.247 176.249 176.000 0.004 0.000 0.999 435 Q CA 0.022 55.841 55.803 0.026 0.000 0.886 435 Q CB 0.294 29.047 28.738 0.026 0.000 1.243 435 Q HN 0.450 nan 8.270 nan 0.000 0.415 436 M N 1.218 120.843 119.600 0.042 0.000 2.252 436 M HA 0.048 4.528 4.480 0.000 0.000 0.333 436 M C -0.386 175.894 176.300 -0.034 0.000 1.111 436 M CA 0.966 56.275 55.300 0.016 0.000 1.140 436 M CB 0.618 33.260 32.600 0.070 0.000 1.538 436 M HN 0.441 nan 8.290 nan 0.000 0.448 437 T N 5.074 119.584 114.554 -0.074 0.000 2.900 437 T HA 0.642 4.992 4.350 0.000 0.000 0.295 437 T C -2.651 171.927 174.700 -0.203 0.000 1.044 437 T CA -1.080 60.931 62.100 -0.148 0.000 0.995 437 T CB 1.731 70.545 68.868 -0.090 0.000 1.072 437 T HN 0.457 nan 8.240 nan 0.000 0.473 438 P HA 0.346 nan 4.420 nan 0.000 0.272 438 P C -0.786 176.372 177.300 -0.236 0.000 1.230 438 P CA -0.591 62.249 63.100 -0.433 0.000 0.788 438 P CB 0.528 31.731 31.700 -0.828 0.000 0.949 439 R N 1.945 122.332 120.500 -0.187 0.000 2.445 439 R HA 0.398 4.738 4.340 0.000 0.000 0.308 439 R C -0.544 175.554 176.300 -0.338 0.000 0.961 439 R CA -0.679 55.335 56.100 -0.144 0.000 0.862 439 R CB 0.394 30.673 30.300 -0.035 0.000 1.144 439 R HN 0.476 nan 8.270 nan 0.000 0.447 440 Y N 1.802 121.795 120.300 -0.512 0.000 2.304 440 Y HA 0.295 4.845 4.550 0.000 0.000 0.327 440 Y C 0.029 175.295 175.900 -1.058 0.000 1.209 440 Y CA 0.081 57.837 58.100 -0.574 0.000 1.299 440 Y CB 0.694 38.846 38.460 -0.513 0.000 1.249 440 Y HN 0.386 nan 8.280 nan 0.000 0.519 441 Y N -0.949 119.209 120.300 -0.236 0.000 2.524 441 Y HA 0.394 4.944 4.550 0.000 0.000 0.347 441 Y C -0.280 175.517 175.900 -0.172 0.000 1.005 441 Y CA -1.267 56.667 58.100 -0.277 0.000 1.025 441 Y CB 1.959 40.294 38.460 -0.209 0.000 1.275 441 Y HN 0.375 nan 8.280 nan 0.000 0.460 442 S N 3.258 118.920 115.700 -0.063 0.000 2.439 442 S HA 0.392 4.862 4.470 0.000 0.000 0.282 442 S C -0.036 174.618 174.600 0.091 0.000 1.170 442 S CA -0.589 57.661 58.200 0.084 0.000 1.054 442 S CB -0.323 62.896 63.200 0.033 0.000 0.956 442 S HN 0.391 nan 8.310 nan 0.000 0.490 443 I N 3.261 123.890 120.570 0.099 0.000 2.741 443 I HA -0.049 4.121 4.170 0.000 0.000 0.288 443 I C 1.242 177.388 176.117 0.049 0.000 1.192 443 I CA 0.093 61.419 61.300 0.043 0.000 1.426 443 I CB 0.620 38.618 38.000 -0.002 0.000 1.367 443 I HN 0.689 nan 8.210 nan 0.000 0.563 444 S N 2.458 118.178 115.700 0.034 0.000 2.577 444 S HA 0.109 4.579 4.470 0.000 0.000 0.219 444 S C 0.457 175.000 174.600 -0.094 0.000 0.962 444 S CA -0.552 57.649 58.200 0.001 0.000 0.921 444 S CB -0.186 63.045 63.200 0.052 0.000 0.789 444 S HN 0.696 nan 8.310 nan 0.000 0.497 445 S N 1.136 116.773 115.700 -0.104 0.000 2.537 445 S HA 0.689 5.159 4.470 0.000 0.000 0.301 445 S C -0.281 174.329 174.600 0.018 0.000 1.092 445 S CA -0.632 57.401 58.200 -0.278 0.000 1.048 445 S CB 1.672 64.571 63.200 -0.502 0.000 1.053 445 S HN 0.228 nan 8.310 nan 0.000 0.501 446 S N 1.055 116.743 115.700 -0.020 0.000 2.537 446 S HA 0.319 4.790 4.470 0.000 0.000 0.275 446 S C 1.088 175.704 174.600 0.027 0.000 1.272 446 S CA -0.140 58.082 58.200 0.038 0.000 1.050 446 S CB 0.738 63.931 63.200 -0.013 0.000 0.961 446 S HN 1.169 nan 8.310 nan 0.000 0.496 447 S N 4.366 119.993 115.700 -0.121 0.000 2.603 447 S HA 0.014 4.484 4.470 0.000 0.000 0.220 447 S C 1.284 175.762 174.600 -0.203 0.000 0.967 447 S CA 0.127 58.085 58.200 -0.403 0.000 0.920 447 S CB -0.294 62.412 63.200 -0.824 0.000 0.773 447 S HN 0.712 nan 8.310 nan 0.000 0.529 448 L N 2.064 123.227 121.223 -0.100 0.000 2.298 448 L HA 0.340 4.680 4.340 0.000 0.000 0.209 448 L C 1.952 178.809 176.870 -0.022 0.000 1.084 448 L CA 1.584 56.392 54.840 -0.054 0.000 0.816 448 L CB -0.123 41.923 42.059 -0.021 0.000 0.967 448 L HN 0.474 nan 8.230 nan 0.000 0.460 449 S N -2.582 113.113 115.700 -0.009 0.000 2.559 449 S HA 0.291 4.761 4.470 0.000 0.000 0.226 449 S C 0.408 175.031 174.600 0.038 0.000 1.000 449 S CA -0.284 57.923 58.200 0.012 0.000 0.948 449 S CB 0.145 63.353 63.200 0.013 0.000 0.870 449 S HN 0.358 nan 8.310 nan 0.000 0.497 450 E N 1.006 121.238 120.200 0.054 0.000 4.230 450 E HA 0.331 4.681 4.350 0.000 0.000 0.216 450 E C 0.533 177.227 176.600 0.157 0.000 1.132 450 E CA -0.185 56.296 56.400 0.136 0.000 1.404 450 E CB 0.762 30.586 29.700 0.206 0.000 1.183 450 E HN 0.293 nan 8.360 nan 0.000 0.431 451 K N 0.694 121.130 120.400 0.059 0.000 2.117 451 K HA -0.297 4.023 4.320 0.000 0.000 0.215 451 K C 0.721 177.402 176.600 0.135 0.000 1.053 451 K CA 1.913 58.209 56.287 0.014 0.000 0.935 451 K CB 0.160 32.661 32.500 0.002 0.000 0.719 451 K HN 0.234 nan 8.250 nan 0.000 0.460 452 Q N -0.351 119.563 119.800 0.190 0.000 2.115 452 Q HA 0.147 4.487 4.340 0.000 0.000 0.249 452 Q C -1.227 174.898 176.000 0.208 0.000 0.830 452 Q CA -0.238 55.692 55.803 0.211 0.000 1.104 452 Q CB 1.963 30.765 28.738 0.107 0.000 1.207 452 Q HN 0.051 nan 8.270 nan 0.000 0.464 453 T N 0.229 114.949 114.554 0.276 0.000 2.841 453 T HA 0.462 4.812 4.350 0.000 0.000 0.285 453 T C -0.650 174.197 174.700 0.245 0.000 0.991 453 T CA -0.442 61.794 62.100 0.226 0.000 0.966 453 T CB 2.124 71.141 68.868 0.248 0.000 0.962 453 T HN -0.149 nan 8.240 nan 0.000 0.438 454 V N 4.467 124.451 119.914 0.117 0.000 2.378 454 V HA 0.355 4.475 4.120 0.000 0.000 0.288 454 V C -0.691 175.526 176.094 0.204 0.000 1.016 454 V CA -0.884 61.408 62.300 -0.013 0.000 0.840 454 V CB 0.907 32.536 31.823 -0.323 0.000 0.994 454 V HN 0.843 nan 8.190 nan 0.000 0.431 455 H N 2.939 121.970 119.070 -0.066 0.000 2.487 455 H HA 0.688 5.244 4.556 0.000 0.000 0.333 455 H C -0.345 174.895 175.328 -0.146 0.000 1.114 455 H CA -0.766 55.198 56.048 -0.141 0.000 1.310 455 H CB 1.598 31.291 29.762 -0.115 0.000 1.462 455 H HN 0.362 nan 8.280 nan 0.000 0.516 456 V N 2.867 122.720 119.914 -0.103 0.000 2.525 456 V HA 0.235 4.355 4.120 0.000 0.000 0.299 456 V C -0.116 175.920 176.094 -0.096 0.000 1.034 456 V CA -0.855 61.405 62.300 -0.067 0.000 0.863 456 V CB 1.883 33.657 31.823 -0.082 0.000 0.999 456 V HN 0.840 nan 8.190 nan 0.000 0.423 457 T N 3.479 118.065 114.554 0.053 0.000 2.762 457 T HA 0.378 4.728 4.350 0.000 0.000 0.303 457 T C 0.180 174.939 174.700 0.099 0.000 0.977 457 T CA -0.266 61.917 62.100 0.139 0.000 0.961 457 T CB 0.625 69.690 68.868 0.328 0.000 0.944 457 T HN 0.817 nan 8.240 nan 0.000 0.481 458 S N 3.848 119.544 115.700 -0.006 0.000 2.667 458 S HA 0.484 4.954 4.470 0.000 0.000 0.304 458 S C -0.190 174.407 174.600 -0.005 0.000 1.135 458 S CA -0.957 57.252 58.200 0.016 0.000 1.125 458 S CB 0.291 63.376 63.200 -0.193 0.000 0.996 458 S HN 0.710 nan 8.310 nan 0.000 0.474 459 I N 4.528 125.137 120.570 0.065 0.000 2.618 459 I HA 0.216 4.386 4.170 0.000 0.000 0.284 459 I C -0.287 175.870 176.117 0.066 0.000 1.146 459 I CA -0.172 61.141 61.300 0.021 0.000 1.425 459 I CB 0.622 38.717 38.000 0.158 0.000 1.383 459 I HN 0.565 nan 8.210 nan 0.000 0.562 460 V N 7.847 127.776 119.914 0.025 0.000 2.555 460 V HA 0.145 4.266 4.120 0.000 0.000 0.286 460 V C 0.270 176.438 176.094 0.123 0.000 1.044 460 V CA -0.467 61.868 62.300 0.060 0.000 1.026 460 V CB 0.729 32.571 31.823 0.031 0.000 0.981 460 V HN 0.610 nan 8.190 nan 0.000 0.480 461 E N 4.661 124.939 120.200 0.130 0.000 2.014 461 E HA 0.298 4.648 4.350 0.000 0.000 0.275 461 E C -0.523 176.130 176.600 0.088 0.000 0.997 461 E CA -0.142 56.362 56.400 0.173 0.000 0.804 461 E CB 0.994 30.805 29.700 0.185 0.000 1.090 461 E HN 0.732 nan 8.360 nan 0.000 0.401 462 N N 3.583 122.345 118.700 0.104 0.000 2.699 462 N HA 0.153 4.893 4.740 0.000 0.000 0.271 462 N C -1.676 173.856 175.510 0.037 0.000 1.216 462 N CA -0.515 52.511 53.050 -0.040 0.000 0.844 462 N CB 0.209 38.699 38.487 0.005 0.000 1.462 462 N HN 0.180 nan 8.380 nan 0.000 0.555 463 F N 0.371 120.324 119.950 0.005 0.000 2.620 463 F HA 0.886 5.413 4.527 0.000 0.000 0.320 463 F C -2.795 172.968 175.800 -0.061 0.000 1.069 463 F CA -2.719 55.269 58.000 -0.021 0.000 0.953 463 F CB 0.668 39.650 39.000 -0.030 0.000 1.322 463 F HN 0.081 nan 8.300 nan 0.000 0.479 464 P HA 0.081 nan 4.420 nan 0.000 0.275 464 P C -0.707 176.616 177.300 0.039 0.000 1.227 464 P CA -0.275 62.856 63.100 0.052 0.000 0.781 464 P CB 0.540 32.274 31.700 0.056 0.000 0.906 465 N N 4.168 122.834 118.700 -0.056 0.000 2.452 465 N HA 0.014 4.755 4.740 0.000 0.000 0.266 465 N C -1.600 173.874 175.510 -0.061 0.000 1.209 465 N CA -1.320 51.660 53.050 -0.118 0.000 0.929 465 N CB 0.279 38.728 38.487 -0.062 0.000 1.063 465 N HN 0.195 nan 8.380 nan 0.000 0.472 466 P HA 0.026 nan 4.420 nan 0.000 0.233 466 P C 0.463 177.770 177.300 0.012 0.000 1.167 466 P CA 0.790 63.876 63.100 -0.024 0.000 0.770 466 P CB 0.598 32.285 31.700 -0.022 0.000 0.837 467 E N -0.866 119.348 120.200 0.023 0.000 2.207 467 E HA 0.196 4.546 4.350 0.000 0.000 0.197 467 E C 0.675 177.286 176.600 0.018 0.000 0.914 467 E CA 0.441 56.856 56.400 0.024 0.000 0.914 467 E CB 0.020 29.733 29.700 0.022 0.000 0.893 467 E HN 0.247 nan 8.360 nan 0.000 0.479 468 L N 3.203 124.440 121.223 0.025 0.000 2.287 468 L HA 0.258 4.598 4.340 0.000 0.000 0.280 468 L C -1.868 175.022 176.870 0.033 0.000 1.055 468 L CA -1.488 53.376 54.840 0.041 0.000 0.863 468 L CB 1.070 43.173 42.059 0.073 0.000 1.245 468 L HN -0.137 nan 8.230 nan 0.000 0.432 469 P HA -0.148 nan 4.420 nan 0.000 0.218 469 P C 0.677 177.992 177.300 0.025 0.000 1.148 469 P CA 1.147 64.261 63.100 0.023 0.000 0.822 469 P CB 0.293 32.007 31.700 0.022 0.000 0.784 470 D N -1.148 119.273 120.400 0.034 0.000 2.347 470 D HA 0.089 4.729 4.640 0.000 0.000 0.213 470 D C 1.032 177.354 176.300 0.037 0.000 0.985 470 D CA 0.300 54.321 54.000 0.034 0.000 0.879 470 D CB -0.217 40.607 40.800 0.039 0.000 0.919 470 D HN 0.111 nan 8.370 nan 0.000 0.526 471 A N 1.720 124.568 122.820 0.046 0.000 2.346 471 A HA 0.417 4.737 4.320 0.000 0.000 0.252 471 A C -2.145 175.454 177.584 0.025 0.000 1.089 471 A CA -0.900 51.169 52.037 0.053 0.000 0.797 471 A CB -0.193 18.861 19.000 0.090 0.000 1.047 471 A HN -0.095 nan 8.150 nan 0.000 0.494 472 P HA 0.318 nan 4.420 nan 0.000 0.271 472 P C -2.440 174.834 177.300 -0.042 0.000 1.218 472 P CA -0.792 62.303 63.100 -0.008 0.000 0.780 472 P CB -0.283 31.413 31.700 -0.007 0.000 0.901 473 P HA -0.022 nan 4.420 nan 0.000 0.267 473 P C -0.706 176.447 177.300 -0.245 0.000 1.201 473 P CA 0.098 63.106 63.100 -0.153 0.000 0.775 473 P CB 0.253 31.878 31.700 -0.125 0.000 0.854 474 V N 3.311 122.927 119.914 -0.498 0.000 2.427 474 V HA 0.210 4.330 4.120 0.000 0.000 0.268 474 V C 0.662 176.373 176.094 -0.639 0.000 1.046 474 V CA -0.052 61.900 62.300 -0.580 0.000 0.970 474 V CB 0.434 31.715 31.823 -0.905 0.000 1.001 474 V HN 0.369 nan 8.190 nan 0.000 0.476 475 V N 2.609 122.353 119.914 -0.283 0.000 3.019 475 V HA 1.036 5.156 4.120 0.000 0.000 0.317 475 V C 0.337 176.404 176.094 -0.045 0.000 1.094 475 V CA -0.602 61.603 62.300 -0.159 0.000 1.000 475 V CB 1.936 33.715 31.823 -0.073 0.000 1.060 475 V HN 0.798 nan 8.190 nan 0.000 0.443 476 G N 0.436 109.249 108.800 0.021 0.000 2.372 476 G HA2 0.509 4.469 3.960 0.000 0.000 0.323 476 G HA3 0.509 4.469 3.960 0.000 0.000 0.323 476 G C 0.403 175.362 174.900 0.098 0.000 1.152 476 G CA -0.204 44.937 45.100 0.069 0.000 0.906 476 G HN 0.886 nan 8.290 nan 0.000 0.460 477 V N 2.438 122.413 119.914 0.102 0.000 2.214 477 V HA -0.243 3.877 4.120 0.000 0.000 0.247 477 V C 3.102 179.224 176.094 0.046 0.000 1.051 477 V CA 2.832 65.217 62.300 0.142 0.000 1.003 477 V CB -0.987 30.897 31.823 0.102 0.000 0.635 477 V HN 0.768 nan 8.190 nan 0.000 0.447 478 T N 0.139 114.699 114.554 0.009 0.000 2.708 478 T HA -0.217 4.133 4.350 0.000 0.000 0.266 478 T C 1.976 176.627 174.700 -0.082 0.000 1.037 478 T CA 2.308 64.379 62.100 -0.049 0.000 1.146 478 T CB -0.684 68.220 68.868 0.061 0.000 0.865 478 T HN 0.803 nan 8.240 nan 0.000 0.435 479 T N 1.551 116.109 114.554 0.006 0.000 2.737 479 T HA -0.116 4.234 4.350 0.000 0.000 0.265 479 T C 1.912 176.590 174.700 -0.037 0.000 1.038 479 T CA 1.112 63.203 62.100 -0.015 0.000 1.144 479 T CB -0.510 68.392 68.868 0.057 0.000 0.866 479 T HN 0.209 nan 8.240 nan 0.000 0.434 480 N N 1.385 120.100 118.700 0.025 0.000 2.309 480 N HA -0.006 4.734 4.740 0.000 0.000 0.182 480 N C 1.813 177.341 175.510 0.030 0.000 1.018 480 N CA 0.982 54.087 53.050 0.092 0.000 0.876 480 N CB -0.378 38.234 38.487 0.208 0.000 0.972 480 N HN 0.364 nan 8.380 nan 0.000 0.434 481 L N 1.321 122.347 121.223 -0.328 0.000 2.005 481 L HA -0.008 4.332 4.340 0.000 0.000 0.207 481 L C 1.995 178.654 176.870 -0.352 0.000 1.072 481 L CA 1.373 55.720 54.840 -0.823 0.000 0.744 481 L CB -0.954 40.484 42.059 -1.035 0.000 0.895 481 L HN 0.038 nan 8.230 nan 0.000 0.433 482 L N -0.389 120.676 121.223 -0.264 0.000 2.127 482 L HA -0.226 4.114 4.340 0.000 0.000 0.211 482 L C 2.856 179.623 176.870 -0.171 0.000 1.089 482 L CA 1.612 56.321 54.840 -0.218 0.000 0.757 482 L CB -0.584 41.338 42.059 -0.229 0.000 0.899 482 L HN 0.400 nan 8.230 nan 0.000 0.434 483 R N 0.205 120.635 120.500 -0.117 0.000 2.075 483 R HA -0.172 4.168 4.340 0.000 0.000 0.232 483 R C 2.265 178.529 176.300 -0.060 0.000 1.126 483 R CA 1.382 57.436 56.100 -0.077 0.000 0.963 483 R CB -0.174 30.110 30.300 -0.027 0.000 0.858 483 R HN 0.301 nan 8.270 nan 0.000 0.435 484 N N 1.200 119.893 118.700 -0.012 0.000 2.036 484 N HA -0.197 4.543 4.740 0.000 0.000 0.195 484 N C 1.774 177.255 175.510 -0.048 0.000 1.037 484 N CA 1.777 54.850 53.050 0.039 0.000 0.855 484 N CB -0.223 38.371 38.487 0.177 0.000 1.033 484 N HN 0.292 nan 8.380 nan 0.000 0.423 485 I N 0.714 121.219 120.570 -0.108 0.000 2.361 485 I HA -0.230 3.940 4.170 0.000 0.000 0.251 485 I C 2.531 178.439 176.117 -0.349 0.000 1.133 485 I CA 0.842 62.012 61.300 -0.218 0.000 1.413 485 I CB -0.295 37.589 38.000 -0.193 0.000 1.073 485 I HN 0.318 nan 8.210 nan 0.000 0.424 486 Q N 1.440 121.096 119.800 -0.240 0.000 2.083 486 Q HA -0.156 4.184 4.340 0.000 0.000 0.198 486 Q C 2.266 178.148 176.000 -0.198 0.000 0.969 486 Q CA 1.562 57.232 55.803 -0.222 0.000 0.838 486 Q CB -0.039 28.605 28.738 -0.156 0.000 0.900 486 Q HN 0.520 nan 8.270 nan 0.000 0.436 487 L N 0.266 121.402 121.223 -0.146 0.000 2.023 487 L HA -0.116 4.224 4.340 0.000 0.000 0.205 487 L C 2.704 179.492 176.870 -0.137 0.000 1.073 487 L CA 1.028 55.804 54.840 -0.106 0.000 0.745 487 L CB -0.863 41.163 42.059 -0.054 0.000 0.900 487 L HN 0.168 nan 8.230 nan 0.000 0.435 488 A N -0.143 122.580 122.820 -0.161 0.000 1.852 488 A HA -0.358 3.962 4.320 0.000 0.000 0.217 488 A C 2.246 179.646 177.584 -0.307 0.000 1.215 488 A CA 2.303 54.247 52.037 -0.156 0.000 0.641 488 A CB -1.002 17.948 19.000 -0.083 0.000 0.838 488 A HN 0.498 nan 8.150 nan 0.000 0.450 489 Q N -0.815 118.518 119.800 -0.778 0.000 2.173 489 Q HA -0.248 4.092 4.340 0.000 0.000 0.208 489 Q C 0.759 176.594 176.000 -0.276 0.000 0.989 489 Q CA 1.990 57.323 55.803 -0.783 0.000 0.872 489 Q CB -0.185 28.033 28.738 -0.867 0.000 0.909 489 Q HN 0.666 nan 8.270 nan 0.000 0.420 490 N N 0.965 119.535 118.700 -0.217 0.000 2.314 490 N HA 0.033 4.773 4.740 0.000 0.000 0.200 490 N C -0.998 174.467 175.510 -0.074 0.000 1.135 490 N CA 0.103 53.081 53.050 -0.120 0.000 0.835 490 N CB 0.267 38.687 38.487 -0.111 0.000 0.989 490 N HN 0.207 nan 8.380 nan 0.000 0.478 491 N N -0.148 118.515 118.700 -0.063 0.000 2.696 491 N HA -0.153 4.587 4.740 0.000 0.000 0.256 491 N C -1.148 174.345 175.510 -0.028 0.000 1.031 491 N CA 0.475 53.509 53.050 -0.027 0.000 0.730 491 N CB -1.364 37.115 38.487 -0.012 0.000 0.894 491 N HN -0.025 nan 8.380 nan 0.000 0.544 492 V N 0.654 120.547 119.914 -0.035 0.000 2.435 492 V HA 0.202 4.322 4.120 0.000 0.000 0.290 492 V C 0.923 177.005 176.094 -0.019 0.000 1.030 492 V CA -0.945 61.338 62.300 -0.028 0.000 0.881 492 V CB 1.893 33.696 31.823 -0.034 0.000 0.983 492 V HN 0.324 nan 8.190 nan 0.000 0.445 493 N N 3.665 122.357 118.700 -0.014 0.000 2.416 493 N HA 0.104 4.844 4.740 0.000 0.000 0.291 493 N C 1.123 176.626 175.510 -0.013 0.000 1.257 493 N CA 0.067 53.110 53.050 -0.012 0.000 1.043 493 N CB -0.050 38.431 38.487 -0.010 0.000 1.441 493 N HN 0.701 nan 8.380 nan 0.000 0.490 494 I N 1.784 122.345 120.570 -0.015 0.000 2.381 494 I HA -0.357 3.813 4.170 0.000 0.000 0.255 494 I C 2.153 178.261 176.117 -0.014 0.000 1.140 494 I CA 1.033 62.326 61.300 -0.012 0.000 1.404 494 I CB -0.362 37.631 38.000 -0.011 0.000 1.075 494 I HN 0.619 nan 8.210 nan 0.000 0.433 495 A N 0.600 123.407 122.820 -0.021 0.000 1.978 495 A HA -0.225 4.095 4.320 0.000 0.000 0.220 495 A C 2.188 179.766 177.584 -0.010 0.000 1.170 495 A CA 1.716 53.740 52.037 -0.022 0.000 0.636 495 A CB -0.438 18.547 19.000 -0.024 0.000 0.810 495 A HN 0.525 nan 8.150 nan 0.000 0.448 496 E N 0.038 120.234 120.200 -0.007 0.000 2.051 496 E HA -0.045 4.305 4.350 0.000 0.000 0.189 496 E C 1.362 177.964 176.600 0.004 0.000 0.979 496 E CA 0.793 57.192 56.400 -0.002 0.000 0.803 496 E CB -0.646 29.053 29.700 -0.002 0.000 0.761 496 E HN 0.740 nan 8.360 nan 0.000 0.451 497 T N 1.572 116.128 114.554 0.004 0.000 2.649 497 T HA -0.075 4.275 4.350 0.000 0.000 0.337 497 T C 0.805 175.514 174.700 0.016 0.000 1.070 497 T CA 0.139 62.246 62.100 0.011 0.000 1.052 497 T CB 0.240 69.113 68.868 0.010 0.000 0.994 497 T HN 0.137 nan 8.240 nan 0.000 0.544 498 N N 0.082 118.795 118.700 0.023 0.000 2.295 498 N HA 0.079 4.819 4.740 0.000 0.000 0.221 498 N C -0.092 175.436 175.510 0.029 0.000 1.129 498 N CA -0.484 52.582 53.050 0.026 0.000 0.836 498 N CB -0.334 38.172 38.487 0.032 0.000 1.040 498 N HN 0.502 nan 8.380 nan 0.000 0.494 499 L N 2.407 123.650 121.223 0.032 0.000 2.562 499 L HA 0.173 4.513 4.340 0.000 0.000 0.271 499 L C -1.383 175.511 176.870 0.040 0.000 1.167 499 L CA -1.112 53.755 54.840 0.045 0.000 0.917 499 L CB 0.560 42.654 42.059 0.058 0.000 1.187 499 L HN -0.060 nan 8.230 nan 0.000 0.482 500 P HA -0.025 nan 4.420 nan 0.000 0.221 500 P C -0.527 176.771 177.300 -0.003 0.000 1.150 500 P CA 0.830 63.934 63.100 0.007 0.000 0.800 500 P CB 0.123 31.814 31.700 -0.015 0.000 0.787 501 V N -4.701 115.208 119.914 -0.008 0.000 3.202 501 V HA 0.645 4.766 4.120 0.000 0.000 0.306 501 V C -1.104 174.947 176.094 -0.071 0.000 1.283 501 V CA -1.078 61.159 62.300 -0.106 0.000 1.065 501 V CB 2.248 33.901 31.823 -0.284 0.000 1.079 501 V HN 0.186 nan 8.190 nan 0.000 0.448 502 H N -0.418 118.475 119.070 -0.296 0.000 2.946 502 H HA 0.764 5.320 4.556 0.000 0.000 0.365 502 H C -2.187 172.904 175.328 -0.395 0.000 1.197 502 H CA -0.849 55.092 56.048 -0.179 0.000 1.131 502 H CB 1.882 31.618 29.762 -0.042 0.000 1.849 502 H HN 0.712 nan 8.280 nan 0.000 0.555 503 Y N -0.842 119.502 120.300 0.072 0.000 2.605 503 Y HA 0.172 4.722 4.550 0.000 0.000 0.343 503 Y C -0.047 175.899 175.900 0.076 0.000 1.036 503 Y CA -1.120 56.985 58.100 0.008 0.000 1.065 503 Y CB 1.205 39.666 38.460 0.002 0.000 1.288 503 Y HN 0.642 nan 8.280 nan 0.000 0.481 504 D N 1.524 122.052 120.400 0.213 0.000 2.342 504 D HA 0.073 4.713 4.640 0.000 0.000 0.260 504 D C 0.087 176.524 176.300 0.228 0.000 1.278 504 D CA 0.578 54.684 54.000 0.177 0.000 0.910 504 D CB 0.398 41.275 40.800 0.129 0.000 1.079 504 D HN 0.604 nan 8.370 nan 0.000 0.496 505 L N 3.500 124.843 121.223 0.200 0.000 2.611 505 L HA 0.147 4.487 4.340 0.000 0.000 0.229 505 L C 1.421 178.385 176.870 0.157 0.000 1.137 505 L CA -0.099 54.858 54.840 0.196 0.000 0.901 505 L CB -0.115 42.066 42.059 0.203 0.000 1.098 505 L HN 0.380 nan 8.230 nan 0.000 0.456 506 N N -0.308 118.471 118.700 0.132 0.000 2.463 506 N HA 0.111 4.851 4.740 0.000 0.000 0.183 506 N C 1.151 176.673 175.510 0.020 0.000 1.064 506 N CA 0.965 54.048 53.050 0.055 0.000 0.879 506 N CB 1.048 39.536 38.487 0.002 0.000 1.148 506 N HN 0.300 nan 8.380 nan 0.000 0.451 507 G N 1.429 110.268 108.800 0.065 0.000 2.539 507 G HA2 -0.246 3.714 3.960 0.000 0.000 0.256 507 G HA3 -0.246 3.714 3.960 0.000 0.000 0.256 507 G C -2.721 171.963 174.900 -0.361 0.000 1.233 507 G CA -0.698 44.292 45.100 -0.183 0.000 0.936 507 G HN 0.134 nan 8.290 nan 0.000 0.571 508 P HA 0.448 nan 4.420 nan 0.000 0.281 508 P C 0.125 177.211 177.300 -0.357 0.000 1.286 508 P CA -0.076 62.720 63.100 -0.506 0.000 0.772 508 P CB 0.472 31.789 31.700 -0.638 0.000 0.862 509 R N 3.201 123.572 120.500 -0.215 0.000 3.251 509 R HA -0.238 4.102 4.340 0.000 0.000 0.249 509 R C -0.111 176.096 176.300 -0.155 0.000 0.949 509 R CA 0.366 56.377 56.100 -0.148 0.000 0.645 509 R CB -1.862 28.366 30.300 -0.120 0.000 1.065 509 R HN 0.581 nan 8.270 nan 0.000 0.452 510 K N -0.567 119.736 120.400 -0.161 0.000 3.100 510 K HA -0.246 4.074 4.320 0.000 0.000 0.261 510 K C 1.231 177.746 176.600 -0.142 0.000 0.920 510 K CA 0.902 57.110 56.287 -0.132 0.000 0.683 510 K CB -0.868 31.583 32.500 -0.082 0.000 1.349 510 K HN 0.479 nan 8.250 nan 0.000 0.473 511 L N -0.664 120.402 121.223 -0.262 0.000 2.109 511 L HA -0.073 4.267 4.340 0.000 0.000 0.207 511 L C 1.773 178.650 176.870 0.011 0.000 1.086 511 L CA 1.384 56.107 54.840 -0.195 0.000 0.760 511 L CB -0.064 41.771 42.059 -0.375 0.000 0.910 511 L HN 0.325 nan 8.230 nan 0.000 0.437 512 F N 0.192 120.091 119.950 -0.086 0.000 2.804 512 F HA 0.153 4.680 4.527 0.000 0.000 0.303 512 F C 1.427 177.165 175.800 -0.104 0.000 1.154 512 F CA -0.844 57.104 58.000 -0.086 0.000 1.401 512 F CB -0.282 38.689 39.000 -0.048 0.000 1.106 512 F HN 0.015 nan 8.300 nan 0.000 0.568 513 A N 1.411 124.256 122.820 0.041 0.000 2.566 513 A HA -0.006 4.314 4.320 0.000 0.000 0.245 513 A C 0.739 178.244 177.584 -0.131 0.000 1.056 513 A CA 0.168 52.165 52.037 -0.067 0.000 0.757 513 A CB -0.285 18.673 19.000 -0.070 0.000 0.979 513 A HN 0.629 nan 8.150 nan 0.000 0.508 514 N N 0.874 119.389 118.700 -0.307 0.000 2.924 514 N HA -0.181 4.559 4.740 0.000 0.000 0.246 514 N C -0.950 174.350 175.510 -0.349 0.000 1.120 514 N CA 1.278 54.066 53.050 -0.437 0.000 0.691 514 N CB -2.259 36.114 38.487 -0.190 0.000 1.036 514 N HN 0.941 nan 8.380 nan 0.000 0.557 515 Y N -1.760 118.519 120.300 -0.034 0.000 2.987 515 Y HA -0.342 4.208 4.550 0.000 0.000 0.177 515 Y C 0.456 176.281 175.900 -0.126 0.000 1.560 515 Y CA 0.751 58.800 58.100 -0.086 0.000 0.893 515 Y CB -1.511 36.879 38.460 -0.117 0.000 1.372 515 Y HN 0.194 nan 8.280 nan 0.000 0.397 516 K N 1.695 122.088 120.400 -0.012 0.000 2.385 516 K HA 0.917 5.237 4.320 0.000 0.000 0.248 516 K C -0.606 175.866 176.600 -0.215 0.000 0.955 516 K CA -1.002 55.241 56.287 -0.073 0.000 0.816 516 K CB 2.708 35.188 32.500 -0.034 0.000 1.250 516 K HN 0.179 nan 8.250 nan 0.000 0.434 517 L N 1.797 122.881 121.223 -0.231 0.000 2.424 517 L HA 0.483 4.823 4.340 0.000 0.000 0.258 517 L C -2.638 173.999 176.870 -0.388 0.000 0.995 517 L CA -2.451 52.123 54.840 -0.442 0.000 0.821 517 L CB 2.750 44.696 42.059 -0.188 0.000 1.383 517 L HN 0.331 nan 8.230 nan 0.000 0.410 518 P HA 0.247 nan 4.420 nan 0.000 0.271 518 P C -1.115 175.907 177.300 -0.462 0.000 1.216 518 P CA -0.027 62.739 63.100 -0.557 0.000 0.776 518 P CB 1.299 32.622 31.700 -0.628 0.000 0.881 519 V N 2.886 122.524 119.914 -0.461 0.000 3.258 519 V HA 0.611 4.731 4.120 0.000 0.000 0.299 519 V C -1.528 174.551 176.094 -0.026 0.000 1.376 519 V CA -0.376 61.783 62.300 -0.234 0.000 1.063 519 V CB 2.392 33.979 31.823 -0.393 0.000 1.103 519 V HN 0.893 nan 8.190 nan 0.000 0.451 520 H N 0.625 119.659 119.070 -0.059 0.000 3.081 520 H HA 0.511 5.067 4.556 0.000 0.000 0.322 520 H C -2.219 173.119 175.328 0.017 0.000 1.266 520 H CA -0.541 55.524 56.048 0.029 0.000 1.279 520 H CB 1.029 30.910 29.762 0.197 0.000 1.954 520 H HN 0.426 nan 8.280 nan 0.000 0.530 521 V N 2.910 122.877 119.914 0.089 0.000 2.546 521 V HA 0.315 4.435 4.120 0.000 0.000 0.284 521 V C 0.690 176.875 176.094 0.151 0.000 1.050 521 V CA -0.524 61.801 62.300 0.042 0.000 0.981 521 V CB 1.136 33.011 31.823 0.086 0.000 0.990 521 V HN 0.603 nan 8.190 nan 0.000 0.474 522 R N 5.039 125.616 120.500 0.128 0.000 2.320 522 R HA 0.315 4.655 4.340 0.000 0.000 0.319 522 R C -0.044 176.348 176.300 0.154 0.000 0.969 522 R CA -0.673 55.561 56.100 0.223 0.000 0.857 522 R CB 0.773 31.293 30.300 0.366 0.000 1.160 522 R HN 0.814 nan 8.270 nan 0.000 0.491 523 R N 2.535 123.113 120.500 0.131 0.000 2.570 523 R HA 0.059 4.399 4.340 0.000 0.000 0.277 523 R C -0.499 175.829 176.300 0.046 0.000 1.039 523 R CA 0.460 56.610 56.100 0.082 0.000 1.065 523 R CB 0.517 30.871 30.300 0.091 0.000 0.964 523 R HN 0.788 nan 8.270 nan 0.000 0.428 524 S N 2.204 117.900 115.700 -0.005 0.000 2.810 524 S HA 0.366 4.836 4.470 0.000 0.000 0.315 524 S C -0.123 174.534 174.600 0.094 0.000 1.138 524 S CA -1.024 57.175 58.200 -0.002 0.000 0.889 524 S CB 1.554 64.629 63.200 -0.209 0.000 1.236 524 S HN 0.759 nan 8.310 nan 0.000 0.548 525 N N -0.353 118.447 118.700 0.167 0.000 2.234 525 N HA 0.208 4.948 4.740 0.000 0.000 0.227 525 N C -1.336 174.371 175.510 0.327 0.000 1.151 525 N CA -0.044 53.129 53.050 0.204 0.000 0.865 525 N CB 0.210 38.807 38.487 0.184 0.000 1.066 525 N HN 0.497 nan 8.380 nan 0.000 0.515 526 F N 3.092 123.148 119.950 0.175 0.000 2.434 526 F HA 0.291 4.818 4.527 0.000 0.000 0.358 526 F C 0.187 176.174 175.800 0.311 0.000 1.136 526 F CA -0.339 57.848 58.000 0.311 0.000 1.157 526 F CB 0.199 39.357 39.000 0.264 0.000 1.167 526 F HN -0.241 nan 8.300 nan 0.000 0.539 527 R N 5.578 126.175 120.500 0.163 0.000 2.651 527 R HA 0.393 4.733 4.340 0.000 0.000 0.278 527 R C -1.038 175.095 176.300 -0.279 0.000 1.010 527 R CA -1.081 54.982 56.100 -0.062 0.000 0.896 527 R CB 1.971 32.258 30.300 -0.021 0.000 1.211 527 R HN 0.607 nan 8.270 nan 0.000 0.456 528 L N 3.051 123.839 121.223 -0.724 0.000 2.467 528 L HA 0.195 4.535 4.340 0.000 0.000 0.270 528 L C -1.668 174.906 176.870 -0.493 0.000 1.205 528 L CA -1.351 53.017 54.840 -0.785 0.000 0.828 528 L CB 0.114 41.642 42.059 -0.885 0.000 1.101 528 L HN 0.226 nan 8.230 nan 0.000 0.479 529 P HA -0.002 nan 4.420 nan 0.000 0.265 529 P C 0.240 177.271 177.300 -0.448 0.000 1.187 529 P CA 0.149 62.770 63.100 -0.799 0.000 0.766 529 P CB 0.631 31.780 31.700 -0.919 0.000 0.820 530 S N 0.802 116.300 115.700 -0.336 0.000 2.365 530 S HA -0.157 4.313 4.470 0.000 0.000 0.225 530 S C 1.042 175.522 174.600 -0.201 0.000 1.039 530 S CA 1.247 59.322 58.200 -0.207 0.000 1.033 530 S CB -0.583 62.548 63.200 -0.115 0.000 0.887 530 S HN 0.602 nan 8.310 nan 0.000 0.447 531 N N 1.376 119.970 118.700 -0.177 0.000 2.434 531 N HA 0.197 4.937 4.740 0.000 0.000 0.272 531 N C -2.425 172.990 175.510 -0.158 0.000 1.040 531 N CA -1.919 51.050 53.050 -0.135 0.000 0.956 531 N CB 1.575 40.023 38.487 -0.064 0.000 1.108 531 N HN -0.103 nan 8.380 nan 0.000 0.481 532 P HA -0.001 nan 4.420 nan 0.000 0.220 532 P C 0.845 178.143 177.300 -0.003 0.000 1.148 532 P CA 0.939 63.949 63.100 -0.150 0.000 0.803 532 P CB 0.396 31.954 31.700 -0.236 0.000 0.782 533 S N -1.717 113.983 115.700 0.001 0.000 2.453 533 S HA -0.034 4.436 4.470 0.000 0.000 0.231 533 S C 0.924 175.544 174.600 0.035 0.000 1.005 533 S CA 0.841 59.064 58.200 0.038 0.000 0.949 533 S CB -1.067 62.153 63.200 0.032 0.000 0.774 533 S HN 0.226 nan 8.310 nan 0.000 0.510 534 T N 4.530 119.086 114.554 0.002 0.000 2.902 534 T HA 0.190 4.540 4.350 0.000 0.000 0.301 534 T C -2.487 172.206 174.700 -0.011 0.000 1.012 534 T CA -0.870 61.238 62.100 0.014 0.000 1.151 534 T CB 0.567 69.431 68.868 -0.007 0.000 0.946 534 T HN 0.074 nan 8.240 nan 0.000 0.542 535 P HA 0.303 nan 4.420 nan 0.000 0.271 535 P C -1.014 176.239 177.300 -0.078 0.000 1.218 535 P CA -0.392 62.688 63.100 -0.032 0.000 0.780 535 P CB 0.556 32.260 31.700 0.007 0.000 0.901 536 V N 4.351 124.127 119.914 -0.229 0.000 2.588 536 V HA 0.412 4.532 4.120 0.000 0.000 0.304 536 V C -0.038 176.040 176.094 -0.027 0.000 1.042 536 V CA -0.418 61.794 62.300 -0.147 0.000 0.877 536 V CB 1.770 33.329 31.823 -0.440 0.000 0.996 536 V HN 0.375 nan 8.190 nan 0.000 0.425 537 I N 5.564 126.187 120.570 0.087 0.000 2.382 537 I HA 0.497 4.667 4.170 0.000 0.000 0.285 537 I C -0.497 175.664 176.117 0.074 0.000 1.007 537 I CA -0.230 61.106 61.300 0.061 0.000 1.142 537 I CB 1.521 39.524 38.000 0.005 0.000 1.289 537 I HN 0.454 nan 8.210 nan 0.000 0.453 538 M N 7.394 126.955 119.600 -0.064 0.000 2.227 538 M HA 0.565 5.045 4.480 0.000 0.000 0.335 538 M C -0.819 175.211 176.300 -0.450 0.000 1.053 538 M CA -0.264 54.756 55.300 -0.467 0.000 0.973 538 M CB 2.225 34.212 32.600 -1.022 0.000 1.623 538 M HN 0.378 nan 8.290 nan 0.000 0.434 539 I N 2.267 122.619 120.570 -0.365 0.000 2.439 539 I HA 0.668 4.838 4.170 0.000 0.000 0.283 539 I C -0.022 176.152 176.117 0.094 0.000 1.023 539 I CA -0.481 60.758 61.300 -0.101 0.000 1.100 539 I CB 1.904 39.855 38.000 -0.082 0.000 1.238 539 I HN 0.852 nan 8.210 nan 0.000 0.445 540 G N 6.693 115.609 108.800 0.193 0.000 2.575 540 G HA2 0.602 4.562 3.960 0.000 0.000 0.279 540 G HA3 0.602 4.562 3.960 0.000 0.000 0.279 540 G C -3.294 171.783 174.900 0.295 0.000 1.460 540 G CA -1.136 44.218 45.100 0.423 0.000 1.214 540 G HN 0.189 nan 8.290 nan 0.000 0.582 541 P HA 0.494 nan 4.420 nan 0.000 0.282 541 P C 1.120 178.474 177.300 0.091 0.000 1.249 541 P CA 0.941 64.027 63.100 -0.023 0.000 0.806 541 P CB 1.624 33.225 31.700 -0.164 0.000 0.984 542 G N 2.050 110.894 108.800 0.072 0.000 2.594 542 G HA2 -0.338 3.622 3.960 0.000 0.000 0.297 542 G HA3 -0.338 3.622 3.960 0.000 0.000 0.297 542 G C 1.127 176.325 174.900 0.497 0.000 1.273 542 G CA 0.879 46.155 45.100 0.294 0.000 0.974 542 G HN 0.636 nan 8.290 nan 0.000 0.552 543 T N -1.124 113.704 114.554 0.457 0.000 3.118 543 T HA 0.183 4.533 4.350 0.000 0.000 0.269 543 T C 2.149 177.158 174.700 0.515 0.000 1.166 543 T CA 1.540 63.937 62.100 0.494 0.000 1.073 543 T CB -0.503 68.655 68.868 0.483 0.000 0.884 543 T HN 1.795 nan 8.240 nan 0.000 0.550 544 G N 0.451 109.498 108.800 0.411 0.000 2.848 544 G HA2 0.068 4.028 3.960 0.000 0.000 0.208 544 G HA3 0.068 4.028 3.960 0.000 0.000 0.208 544 G C 1.319 176.440 174.900 0.368 0.000 1.152 544 G CA 0.375 45.667 45.100 0.321 0.000 0.789 544 G HN 0.518 nan 8.290 nan 0.000 0.531 545 V N 0.420 120.617 119.914 0.471 0.000 3.406 545 V HA 0.284 4.404 4.120 0.000 0.000 0.263 545 V C 2.802 179.083 176.094 0.311 0.000 1.172 545 V CA 1.539 64.153 62.300 0.523 0.000 1.140 545 V CB -0.139 31.967 31.823 0.470 0.000 0.784 545 V HN 0.366 nan 8.190 nan 0.000 0.467 546 A N 1.328 124.305 122.820 0.261 0.000 1.915 546 A HA -0.184 4.136 4.320 0.000 0.000 0.220 546 A C 0.433 177.998 177.584 -0.032 0.000 1.198 546 A CA 2.587 54.723 52.037 0.165 0.000 0.647 546 A CB -2.072 17.040 19.000 0.186 0.000 0.825 546 A HN 0.613 nan 8.150 nan 0.000 0.456 547 P HA -0.082 nan 4.420 nan 0.000 0.217 547 P C 1.018 177.907 177.300 -0.686 0.000 1.150 547 P CA 1.019 63.820 63.100 -0.498 0.000 0.832 547 P CB -0.186 31.091 31.700 -0.706 0.000 0.787 548 F N -0.764 119.064 119.950 -0.203 0.000 2.456 548 F HA 0.040 4.567 4.527 0.000 0.000 0.298 548 F C 2.645 178.499 175.800 0.091 0.000 1.104 548 F CA 0.280 58.196 58.000 -0.140 0.000 1.435 548 F CB -0.477 38.523 39.000 0.001 0.000 1.078 548 F HN -0.213 nan 8.300 nan 0.000 0.546 549 R N 1.145 121.780 120.500 0.225 0.000 2.070 549 R HA -0.100 4.241 4.340 0.000 0.000 0.233 549 R C 2.491 178.727 176.300 -0.106 0.000 1.137 549 R CA 1.699 57.810 56.100 0.020 0.000 0.945 549 R CB -0.981 29.199 30.300 -0.201 0.000 0.845 549 R HN 0.294 nan 8.270 nan 0.000 0.430 550 G N 0.383 109.166 108.800 -0.029 0.000 2.459 550 G HA2 -0.258 3.702 3.960 0.000 0.000 0.217 550 G HA3 -0.258 3.702 3.960 0.000 0.000 0.217 550 G C 1.133 176.137 174.900 0.173 0.000 1.183 550 G CA 0.722 45.844 45.100 0.037 0.000 0.776 550 G HN 0.260 nan 8.290 nan 0.000 0.552 551 F N 0.688 120.629 119.950 -0.016 0.000 2.087 551 F HA -0.091 4.436 4.527 0.000 0.000 0.299 551 F C 2.603 178.371 175.800 -0.053 0.000 1.100 551 F CA 0.479 58.469 58.000 -0.017 0.000 1.226 551 F CB -0.984 38.052 39.000 0.060 0.000 0.983 551 F HN 0.034 nan 8.300 nan 0.000 0.479 552 I N -0.059 120.585 120.570 0.123 0.000 2.252 552 I HA -0.228 3.942 4.170 0.000 0.000 0.245 552 I C 2.452 178.401 176.117 -0.280 0.000 1.102 552 I CA 1.254 62.462 61.300 -0.154 0.000 1.385 552 I CB -0.524 37.260 38.000 -0.359 0.000 1.064 552 I HN 0.020 nan 8.210 nan 0.000 0.414 553 R N -0.262 120.066 120.500 -0.286 0.000 2.092 553 R HA -0.201 4.139 4.340 0.000 0.000 0.231 553 R C 2.131 178.399 176.300 -0.054 0.000 1.119 553 R CA 1.385 57.390 56.100 -0.157 0.000 0.970 553 R CB -0.410 29.817 30.300 -0.122 0.000 0.864 553 R HN 0.351 nan 8.270 nan 0.000 0.440 554 E N 0.951 121.127 120.200 -0.040 0.000 2.031 554 E HA -0.157 4.193 4.350 0.000 0.000 0.193 554 E C 2.029 178.623 176.600 -0.009 0.000 0.994 554 E CA 1.240 57.623 56.400 -0.028 0.000 0.800 554 E CB 0.144 29.808 29.700 -0.061 0.000 0.752 554 E HN 0.028 nan 8.360 nan 0.000 0.447 555 R N 0.028 120.501 120.500 -0.046 0.000 2.092 555 R HA -0.046 4.294 4.340 0.000 0.000 0.231 555 R C 2.397 178.717 176.300 0.035 0.000 1.119 555 R CA 1.045 57.127 56.100 -0.031 0.000 0.970 555 R CB -0.933 29.261 30.300 -0.177 0.000 0.864 555 R HN 0.222 nan 8.270 nan 0.000 0.440 556 V N 1.181 121.088 119.914 -0.010 0.000 2.427 556 V HA -0.180 3.940 4.120 0.000 0.000 0.248 556 V C 2.509 178.624 176.094 0.035 0.000 1.051 556 V CA 1.747 64.059 62.300 0.020 0.000 1.048 556 V CB -0.794 31.069 31.823 0.068 0.000 0.666 556 V HN 0.289 nan 8.190 nan 0.000 0.456 557 A N -0.148 122.698 122.820 0.043 0.000 1.873 557 A HA -0.214 4.107 4.320 0.000 0.000 0.215 557 A C 2.111 179.726 177.584 0.052 0.000 1.186 557 A CA 1.911 53.969 52.037 0.036 0.000 0.616 557 A CB -0.736 18.283 19.000 0.032 0.000 0.823 557 A HN 0.517 nan 8.150 nan 0.000 0.442 558 F N 0.524 120.441 119.950 -0.054 0.000 2.065 558 F HA -0.222 4.305 4.527 0.000 0.000 0.298 558 F C 1.843 177.617 175.800 -0.043 0.000 1.112 558 F CA 2.052 60.021 58.000 -0.053 0.000 1.212 558 F CB -0.529 38.433 39.000 -0.064 0.000 0.975 558 F HN 0.193 nan 8.300 nan 0.000 0.476 559 L N 0.969 122.151 121.223 -0.069 0.000 2.129 559 L HA -0.216 4.124 4.340 0.000 0.000 0.212 559 L C 1.955 178.701 176.870 -0.207 0.000 1.087 559 L CA 2.031 56.764 54.840 -0.179 0.000 0.757 559 L CB -0.897 41.165 42.059 0.006 0.000 0.896 559 L HN 0.360 nan 8.230 nan 0.000 0.434 560 E N -1.740 118.374 120.200 -0.142 0.000 2.442 560 E HA 0.014 4.364 4.350 0.000 0.000 0.195 560 E C 1.659 178.172 176.600 -0.145 0.000 1.030 560 E CA 0.597 56.929 56.400 -0.114 0.000 0.869 560 E CB 0.096 29.757 29.700 -0.064 0.000 0.857 560 E HN 0.410 nan 8.360 nan 0.000 0.505 561 S N 1.064 116.636 115.700 -0.215 0.000 2.650 561 S HA 0.016 4.486 4.470 0.000 0.000 0.219 561 S C 1.307 175.753 174.600 -0.256 0.000 0.960 561 S CA 0.325 58.403 58.200 -0.204 0.000 0.925 561 S CB 0.160 63.242 63.200 -0.196 0.000 0.775 561 S HN 0.189 nan 8.310 nan 0.000 0.525 562 Q N 0.639 120.263 119.800 -0.292 0.000 2.316 562 Q HA 0.276 4.616 4.340 0.000 0.000 0.235 562 Q C 0.299 176.211 176.000 -0.148 0.000 0.863 562 Q CA 0.376 56.028 55.803 -0.252 0.000 0.939 562 Q CB 0.340 28.882 28.738 -0.326 0.000 1.108 562 Q HN 0.475 nan 8.270 nan 0.000 0.522 569 V N -0.722 119.204 119.914 0.019 0.000 2.623 569 V HA 0.736 4.856 4.120 0.000 0.000 0.304 569 V C 0.071 176.226 176.094 0.100 0.000 1.054 569 V CA -0.811 61.545 62.300 0.093 0.000 0.882 569 V CB 1.195 33.151 31.823 0.222 0.000 1.002 569 V HN 0.696 nan 8.190 nan 0.000 0.424 570 S N 5.057 120.812 115.700 0.092 0.000 2.489 570 S HA 0.670 5.140 4.470 0.000 0.000 0.277 570 S C -0.535 174.130 174.600 0.109 0.000 1.230 570 S CA -0.519 57.732 58.200 0.085 0.000 1.053 570 S CB 1.250 64.489 63.200 0.065 0.000 0.955 570 S HN 1.125 nan 8.310 nan 0.000 0.488 571 L N 4.713 126.005 121.223 0.115 0.000 2.281 571 L HA 0.584 4.924 4.340 0.000 0.000 0.285 571 L C 0.909 177.871 176.870 0.153 0.000 1.074 571 L CA 0.341 55.258 54.840 0.128 0.000 0.817 571 L CB 0.301 42.414 42.059 0.089 0.000 1.168 571 L HN 0.998 nan 8.230 nan 0.000 0.434 572 G N 3.223 112.128 108.800 0.175 0.000 2.732 572 G HA2 0.040 4.001 3.960 0.000 0.000 0.244 572 G HA3 0.040 4.001 3.960 0.000 0.000 0.244 572 G C -0.351 174.716 174.900 0.278 0.000 1.226 572 G CA -0.551 44.649 45.100 0.167 0.000 0.860 572 G HN 0.739 nan 8.290 nan 0.000 0.583 573 K N -0.066 120.438 120.400 0.174 0.000 2.436 573 K HA 0.141 4.461 4.320 0.000 0.000 0.275 573 K C -0.123 176.594 176.600 0.195 0.000 0.999 573 K CA 0.373 56.769 56.287 0.180 0.000 0.980 573 K CB 0.041 32.591 32.500 0.084 0.000 0.919 573 K HN 0.613 nan 8.250 nan 0.000 0.484 574 H N 3.714 122.821 119.070 0.063 0.000 2.744 574 H HA 0.390 4.946 4.556 0.000 0.000 0.339 574 H C -1.061 174.218 175.328 -0.082 0.000 1.004 574 H CA -0.832 55.262 56.048 0.078 0.000 1.257 574 H CB 1.461 31.357 29.762 0.223 0.000 1.552 574 H HN 0.508 nan 8.280 nan 0.000 0.522 575 I N 4.521 125.051 120.570 -0.066 0.000 2.498 575 I HA 0.237 4.407 4.170 0.000 0.000 0.290 575 I C -1.631 174.293 176.117 -0.322 0.000 1.032 575 I CA -1.026 60.078 61.300 -0.328 0.000 1.073 575 I CB 1.692 39.514 38.000 -0.298 0.000 1.251 575 I HN 0.346 nan 8.210 nan 0.000 0.426 576 L N 8.060 128.974 121.223 -0.515 0.000 2.313 576 L HA 0.576 4.916 4.340 0.000 0.000 0.283 576 L C -1.716 174.851 176.870 -0.505 0.000 1.013 576 L CA 0.082 54.695 54.840 -0.379 0.000 0.816 576 L CB 1.244 43.163 42.059 -0.233 0.000 1.236 576 L HN 0.422 nan 8.230 nan 0.000 0.419 577 F N 5.910 125.694 119.950 -0.276 0.000 2.334 577 F HA 0.361 4.888 4.527 0.000 0.000 0.367 577 F C -0.422 175.313 175.800 -0.109 0.000 1.115 577 F CA -0.221 57.647 58.000 -0.219 0.000 1.116 577 F CB 0.681 39.551 39.000 -0.217 0.000 1.230 577 F HN 0.424 nan 8.300 nan 0.000 0.484 578 Y N 2.043 122.259 120.300 -0.139 0.000 2.496 578 Y HA 0.829 5.379 4.550 0.000 0.000 0.331 578 Y C -0.087 175.724 175.900 -0.148 0.000 1.140 578 Y CA -1.449 56.573 58.100 -0.130 0.000 1.166 578 Y CB 1.918 40.252 38.460 -0.210 0.000 1.249 578 Y HN 0.562 nan 8.280 nan 0.000 0.479 579 G N 1.631 109.852 108.800 -0.966 0.000 2.706 579 G HA2 0.593 4.553 3.960 0.000 0.000 0.297 579 G HA3 0.593 4.553 3.960 0.000 0.000 0.297 579 G C -1.862 172.488 174.900 -0.915 0.000 1.403 579 G CA -0.445 44.189 45.100 -0.777 0.000 0.954 579 G HN 1.172 nan 8.290 nan 0.000 0.500 580 S N 0.405 115.800 115.700 -0.508 0.000 2.580 580 S HA 0.386 4.856 4.470 0.000 0.000 0.281 580 S C 0.798 175.390 174.600 -0.014 0.000 1.129 580 S CA -0.716 57.340 58.200 -0.241 0.000 0.862 580 S CB 1.499 64.569 63.200 -0.218 0.000 1.090 580 S HN 0.741 nan 8.310 nan 0.000 0.451 581 R N 2.103 122.578 120.500 -0.043 0.000 2.143 581 R HA -0.162 4.178 4.340 0.000 0.000 0.239 581 R C 1.162 177.413 176.300 -0.083 0.000 1.126 581 R CA 2.629 58.706 56.100 -0.038 0.000 0.927 581 R CB -0.649 29.609 30.300 -0.070 0.000 0.860 581 R HN 0.919 nan 8.270 nan 0.000 0.433 582 N N -2.580 116.002 118.700 -0.196 0.000 3.566 582 N HA 0.086 4.827 4.740 0.000 0.000 0.354 582 N C 0.115 175.334 175.510 -0.485 0.000 1.632 582 N CA -0.054 52.762 53.050 -0.390 0.000 0.690 582 N CB 0.760 39.117 38.487 -0.217 0.000 2.273 582 N HN -0.054 nan 8.380 nan 0.000 0.643 583 T N -3.480 110.890 114.554 -0.306 0.000 3.086 583 T HA 0.192 4.542 4.350 0.000 0.000 0.250 583 T C 0.069 174.801 174.700 0.053 0.000 1.074 583 T CA 0.291 62.361 62.100 -0.049 0.000 0.988 583 T CB -0.164 68.711 68.868 0.012 0.000 0.988 583 T HN 0.240 nan 8.240 nan 0.000 0.530 584 D N 2.589 122.957 120.400 -0.053 0.000 2.271 584 D HA 0.004 4.644 4.640 0.000 0.000 0.206 584 D C 1.082 177.283 176.300 -0.165 0.000 0.967 584 D CA 0.787 54.755 54.000 -0.054 0.000 0.867 584 D CB -0.019 40.733 40.800 -0.080 0.000 0.960 584 D HN 0.658 nan 8.370 nan 0.000 0.509 585 D N -0.442 119.753 120.400 -0.341 0.000 2.615 585 D HA -0.047 4.593 4.640 0.000 0.000 0.236 585 D C -0.395 175.938 176.300 0.056 0.000 1.233 585 D CA -0.668 52.846 54.000 -0.811 0.000 0.829 585 D CB -1.382 38.668 40.800 -1.249 0.000 1.024 585 D HN 0.137 nan 8.370 nan 0.000 0.490 586 F N 1.762 121.794 119.950 0.137 0.000 2.423 586 F HA 0.267 4.794 4.527 0.000 0.000 0.356 586 F C 0.159 176.195 175.800 0.393 0.000 1.170 586 F CA -1.136 57.100 58.000 0.395 0.000 1.163 586 F CB 0.417 39.624 39.000 0.345 0.000 1.318 586 F HN -0.205 nan 8.300 nan 0.000 0.569 587 L N 7.180 128.921 121.223 0.863 0.000 2.499 587 L HA -0.093 4.247 4.340 0.000 0.000 0.273 587 L C 0.122 177.279 176.870 0.479 0.000 1.195 587 L CA 0.023 55.148 54.840 0.474 0.000 0.882 587 L CB -0.184 42.188 42.059 0.521 0.000 1.133 587 L HN 0.709 nan 8.230 nan 0.000 0.483 588 Y N 0.704 121.162 120.300 0.264 0.000 3.875 588 Y HA -0.377 4.173 4.550 0.000 0.000 0.216 588 Y C 1.881 177.741 175.900 -0.067 0.000 1.148 588 Y CA 1.019 59.133 58.100 0.023 0.000 1.629 588 Y CB -1.801 36.575 38.460 -0.139 0.000 1.506 588 Y HN 0.700 nan 8.280 nan 0.000 0.629 589 Q N 0.723 120.503 119.800 -0.033 0.000 2.156 589 Q HA -0.310 4.030 4.340 0.000 0.000 0.211 589 Q C 1.314 177.217 176.000 -0.162 0.000 0.995 589 Q CA 2.427 57.959 55.803 -0.451 0.000 0.877 589 Q CB -0.127 28.151 28.738 -0.767 0.000 0.920 589 Q HN 0.655 nan 8.270 nan 0.000 0.416 590 D N -0.564 119.763 120.400 -0.122 0.000 2.317 590 D HA -0.047 4.593 4.640 0.000 0.000 0.211 590 D C 1.204 177.412 176.300 -0.153 0.000 0.966 590 D CA 0.685 54.623 54.000 -0.105 0.000 0.876 590 D CB 0.195 40.938 40.800 -0.094 0.000 0.927 590 D HN 0.407 nan 8.370 nan 0.000 0.519 591 E N -0.985 119.069 120.200 -0.245 0.000 2.086 591 E HA -0.068 4.282 4.350 0.000 0.000 0.190 591 E C 1.667 178.030 176.600 -0.395 0.000 0.975 591 E CA 0.274 56.407 56.400 -0.445 0.000 0.813 591 E CB -0.037 29.365 29.700 -0.496 0.000 0.768 591 E HN 0.374 nan 8.360 nan 0.000 0.457 592 W N 0.993 122.382 121.300 0.147 0.000 2.304 592 W HA -0.172 4.488 4.660 0.000 0.000 0.315 592 W C -0.708 175.900 176.519 0.150 0.000 1.233 592 W CA 0.833 58.332 57.345 0.257 0.000 1.261 592 W CB -1.640 27.971 29.460 0.251 0.000 1.150 592 W HN 0.235 nan 8.180 nan 0.000 0.494 593 P HA -0.169 nan 4.420 nan 0.000 0.217 593 P C 1.330 178.654 177.300 0.041 0.000 1.150 593 P CA 1.707 64.900 63.100 0.154 0.000 0.832 593 P CB -0.046 31.711 31.700 0.095 0.000 0.787 594 E N -1.358 118.778 120.200 -0.107 0.000 2.150 594 E HA -0.150 4.200 4.350 0.000 0.000 0.193 594 E C 2.045 178.507 176.600 -0.230 0.000 0.985 594 E CA 1.239 57.509 56.400 -0.216 0.000 0.814 594 E CB -0.874 28.604 29.700 -0.370 0.000 0.752 594 E HN 0.479 nan 8.360 nan 0.000 0.466 595 Y N 0.943 121.171 120.300 -0.119 0.000 2.200 595 Y HA -0.121 4.429 4.550 0.000 0.000 0.290 595 Y C 2.504 178.315 175.900 -0.149 0.000 1.137 595 Y CA 0.850 58.833 58.100 -0.195 0.000 1.163 595 Y CB -0.345 37.908 38.460 -0.344 0.000 0.988 595 Y HN 0.029 nan 8.280 nan 0.000 0.518 596 A N 0.522 123.413 122.820 0.119 0.000 1.978 596 A HA -0.201 4.119 4.320 0.000 0.000 0.220 596 A C 2.174 179.840 177.584 0.137 0.000 1.170 596 A CA 1.494 53.662 52.037 0.217 0.000 0.636 596 A CB -0.354 18.857 19.000 0.350 0.000 0.810 596 A HN 0.237 nan 8.150 nan 0.000 0.448 597 K N 0.391 120.836 120.400 0.074 0.000 1.973 597 K HA -0.132 4.188 4.320 0.000 0.000 0.212 597 K C 1.791 178.414 176.600 0.038 0.000 1.047 597 K CA 1.733 58.047 56.287 0.045 0.000 0.937 597 K CB -0.611 31.893 32.500 0.007 0.000 0.721 597 K HN 0.543 nan 8.250 nan 0.000 0.440 598 K N 0.799 121.210 120.400 0.018 0.000 2.211 598 K HA -0.057 4.263 4.320 0.000 0.000 0.204 598 K C 1.994 178.611 176.600 0.028 0.000 1.047 598 K CA 0.908 57.203 56.287 0.013 0.000 0.935 598 K CB -0.080 32.421 32.500 0.001 0.000 0.728 598 K HN 0.128 nan 8.250 nan 0.000 0.452 599 L N 0.766 122.018 121.223 0.049 0.000 2.640 599 L HA 0.003 4.343 4.340 0.000 0.000 0.230 599 L C 0.678 177.614 176.870 0.109 0.000 1.123 599 L CA -0.287 54.592 54.840 0.064 0.000 0.900 599 L CB -0.663 41.425 42.059 0.049 0.000 1.146 599 L HN 0.319 nan 8.230 nan 0.000 0.484 600 D N 1.267 121.733 120.400 0.108 0.000 3.292 600 D HA -0.313 4.327 4.640 0.000 0.000 0.175 600 D C 1.109 177.490 176.300 0.136 0.000 1.192 600 D CA 1.635 55.700 54.000 0.108 0.000 1.026 600 D CB -0.995 39.849 40.800 0.074 0.000 0.538 600 D HN 0.157 nan 8.370 nan 0.000 0.566 601 G N -1.011 107.851 108.800 0.103 0.000 2.916 601 G HA2 0.132 4.092 3.960 0.000 0.000 0.205 601 G HA3 0.132 4.092 3.960 0.000 0.000 0.205 601 G C 1.368 176.335 174.900 0.111 0.000 1.163 601 G CA 0.958 46.117 45.100 0.097 0.000 0.821 601 G HN 0.404 nan 8.290 nan 0.000 0.515 602 S N -0.827 114.958 115.700 0.142 0.000 2.503 602 S HA 0.284 4.754 4.470 0.000 0.000 0.217 602 S C 0.185 174.928 174.600 0.239 0.000 0.999 602 S CA -0.412 57.884 58.200 0.161 0.000 0.914 602 S CB 0.140 63.415 63.200 0.125 0.000 0.782 602 S HN 0.420 nan 8.310 nan 0.000 0.520 603 F N 1.657 121.646 119.950 0.065 0.000 2.556 603 F HA 0.640 5.167 4.527 0.000 0.000 0.327 603 F C -0.532 175.298 175.800 0.049 0.000 1.059 603 F CA -0.794 57.249 58.000 0.073 0.000 0.953 603 F CB 1.426 40.475 39.000 0.082 0.000 1.227 603 F HN -0.077 nan 8.300 nan 0.000 0.478 604 E N 5.718 125.278 120.200 -1.066 0.000 2.406 604 E HA 0.261 4.611 4.350 0.000 0.000 0.297 604 E C -1.991 173.951 176.600 -1.097 0.000 0.917 604 E CA -0.674 55.271 56.400 -0.759 0.000 0.795 604 E CB 1.570 31.032 29.700 -0.397 0.000 1.285 604 E HN 0.801 nan 8.360 nan 0.000 0.400 605 M N 4.641 123.798 119.600 -0.737 0.000 2.364 605 M HA 0.536 5.017 4.480 0.000 0.000 0.334 605 M C -1.727 174.293 176.300 -0.466 0.000 1.107 605 M CA -0.777 54.177 55.300 -0.576 0.000 0.988 605 M CB 1.713 34.186 32.600 -0.211 0.000 1.673 605 M HN 0.357 nan 8.290 nan 0.000 0.441 606 V N 5.631 125.185 119.914 -0.600 0.000 2.380 606 V HA 0.404 4.524 4.120 0.000 0.000 0.286 606 V C -0.662 175.249 176.094 -0.304 0.000 1.015 606 V CA -0.783 61.192 62.300 -0.543 0.000 0.834 606 V CB 1.305 32.471 31.823 -1.095 0.000 1.009 606 V HN 0.675 nan 8.190 nan 0.000 0.428 607 V N 3.597 123.394 119.914 -0.195 0.000 2.481 607 V HA 0.859 4.979 4.120 0.000 0.000 0.286 607 V C 0.472 176.378 176.094 -0.312 0.000 1.042 607 V CA -0.336 61.810 62.300 -0.256 0.000 0.928 607 V CB 1.716 33.350 31.823 -0.315 0.000 0.986 607 V HN 0.950 nan 8.190 nan 0.000 0.462 608 A N 3.770 126.356 122.820 -0.391 0.000 2.356 608 A HA 0.770 5.090 4.320 0.000 0.000 0.310 608 A C -0.815 176.517 177.584 -0.419 0.000 1.075 608 A CA -0.587 51.272 52.037 -0.296 0.000 0.746 608 A CB 0.808 19.744 19.000 -0.107 0.000 1.221 608 A HN 0.862 nan 8.150 nan 0.000 0.443 609 H N 1.592 120.600 119.070 -0.104 0.000 2.469 609 H HA 0.419 4.975 4.556 0.000 0.000 0.342 609 H C 0.832 176.132 175.328 -0.047 0.000 1.115 609 H CA 0.148 56.129 56.048 -0.111 0.000 1.204 609 H CB 2.087 31.790 29.762 -0.100 0.000 1.492 609 H HN 0.726 nan 8.280 nan 0.000 0.499 610 S N 1.845 117.611 115.700 0.109 0.000 2.524 610 S HA 0.139 4.609 4.470 0.000 0.000 0.215 610 S C 0.882 175.507 174.600 0.041 0.000 0.986 610 S CA -0.295 57.960 58.200 0.093 0.000 0.911 610 S CB 0.469 63.798 63.200 0.214 0.000 0.805 610 S HN 0.550 nan 8.310 nan 0.000 0.501 611 R N 0.684 121.196 120.500 0.020 0.000 2.616 611 R HA 0.399 4.739 4.340 0.000 0.000 0.427 611 R C -0.806 175.476 176.300 -0.029 0.000 1.030 611 R CA -0.241 55.854 56.100 -0.010 0.000 1.133 611 R CB 0.331 30.620 30.300 -0.018 0.000 1.444 611 R HN 0.322 nan 8.270 nan 0.000 0.578 612 L N 3.234 124.444 121.223 -0.023 0.000 2.455 612 L HA 0.162 4.502 4.340 0.000 0.000 0.272 612 L C -1.984 174.872 176.870 -0.023 0.000 1.174 612 L CA -1.533 53.285 54.840 -0.037 0.000 0.869 612 L CB 0.225 42.277 42.059 -0.012 0.000 1.130 612 L HN -0.279 nan 8.230 nan 0.000 0.474 613 P HA 0.072 nan 4.420 nan 0.000 0.268 613 P C -0.324 176.969 177.300 -0.012 0.000 1.205 613 P CA -0.002 63.088 63.100 -0.017 0.000 0.771 613 P CB 0.373 32.063 31.700 -0.017 0.000 0.858 614 N N -0.994 117.699 118.700 -0.011 0.000 2.829 614 N HA -0.099 4.641 4.740 0.000 0.000 0.250 614 N C -0.372 175.133 175.510 -0.008 0.000 1.090 614 N CA 1.520 54.565 53.050 -0.009 0.000 0.781 614 N CB -1.957 36.527 38.487 -0.005 0.000 1.124 614 N HN 0.635 nan 8.380 nan 0.000 0.559 615 T N -3.359 111.188 114.554 -0.011 0.000 2.792 615 T HA 0.424 4.774 4.350 0.000 0.000 0.303 615 T C -0.242 174.446 174.700 -0.021 0.000 1.310 615 T CA -1.056 61.037 62.100 -0.011 0.000 1.007 615 T CB 2.840 71.708 68.868 -0.001 0.000 1.335 615 T HN 0.249 nan 8.240 nan 0.000 0.504 616 K N 0.929 121.313 120.400 -0.027 0.000 2.355 616 K HA 0.172 4.492 4.320 0.000 0.000 0.270 616 K C 0.012 176.578 176.600 -0.056 0.000 1.003 616 K CA -0.513 55.746 56.287 -0.046 0.000 0.957 616 K CB 0.582 33.053 32.500 -0.048 0.000 0.939 616 K HN 0.673 nan 8.250 nan 0.000 0.482 617 K N 3.358 123.701 120.400 -0.095 0.000 2.339 617 K HA 0.124 4.444 4.320 0.000 0.000 0.286 617 K C -1.240 175.254 176.600 -0.176 0.000 1.050 617 K CA -0.541 55.670 56.287 -0.126 0.000 0.956 617 K CB 0.760 33.147 32.500 -0.189 0.000 0.990 617 K HN 0.342 nan 8.250 nan 0.000 0.475 618 V N 6.103 125.967 119.914 -0.083 0.000 2.448 618 V HA 0.348 4.468 4.120 0.000 0.000 0.295 618 V C -0.705 175.472 176.094 0.138 0.000 1.025 618 V CA -0.783 61.493 62.300 -0.039 0.000 0.859 618 V CB 0.917 32.736 31.823 -0.006 0.000 0.988 618 V HN 0.704 nan 8.190 nan 0.000 0.431 619 Y N 1.918 122.179 120.300 -0.065 0.000 2.509 619 Y HA 0.310 4.860 4.550 0.000 0.000 0.341 619 Y C 1.488 177.342 175.900 -0.077 0.000 1.038 619 Y CA -1.194 56.857 58.100 -0.081 0.000 1.089 619 Y CB 2.425 40.840 38.460 -0.075 0.000 1.241 619 Y HN 0.542 nan 8.280 nan 0.000 0.468 620 V N -1.015 118.925 119.914 0.043 0.000 2.380 620 V HA -0.339 3.781 4.120 0.000 0.000 0.251 620 V C 1.748 177.802 176.094 -0.066 0.000 1.063 620 V CA 2.094 64.385 62.300 -0.015 0.000 1.055 620 V CB -0.655 31.132 31.823 -0.059 0.000 0.657 620 V HN 0.918 nan 8.190 nan 0.000 0.455 621 Q N 0.003 119.783 119.800 -0.034 0.000 2.364 621 Q HA -0.188 4.152 4.340 0.000 0.000 0.207 621 Q C 1.569 177.551 176.000 -0.029 0.000 0.970 621 Q CA 1.802 57.569 55.803 -0.059 0.000 0.888 621 Q CB -0.685 28.042 28.738 -0.018 0.000 0.951 621 Q HN 0.678 nan 8.270 nan 0.000 0.469 622 D N 1.521 121.934 120.400 0.021 0.000 2.120 622 D HA -0.053 4.587 4.640 0.000 0.000 0.202 622 D C 1.802 178.129 176.300 0.046 0.000 0.972 622 D CA 0.803 54.815 54.000 0.021 0.000 0.837 622 D CB 0.130 40.941 40.800 0.019 0.000 0.989 622 D HN 0.185 nan 8.370 nan 0.000 0.469 623 K N 0.827 121.274 120.400 0.078 0.000 2.147 623 K HA -0.057 4.263 4.320 0.000 0.000 0.205 623 K C 2.406 179.117 176.600 0.186 0.000 1.049 623 K CA 0.227 56.636 56.287 0.203 0.000 0.936 623 K CB -0.364 32.300 32.500 0.274 0.000 0.722 623 K HN 0.234 nan 8.250 nan 0.000 0.446 624 L N 1.036 122.181 121.223 -0.129 0.000 2.012 624 L HA -0.203 4.137 4.340 0.000 0.000 0.210 624 L C 2.716 179.572 176.870 -0.023 0.000 1.073 624 L CA 1.457 56.127 54.840 -0.283 0.000 0.748 624 L CB -0.394 41.433 42.059 -0.387 0.000 0.891 624 L HN 0.190 nan 8.230 nan 0.000 0.431 625 K N -0.200 120.198 120.400 -0.005 0.000 2.148 625 K HA -0.189 4.131 4.320 0.000 0.000 0.204 625 K C 1.586 178.217 176.600 0.052 0.000 1.050 625 K CA 1.446 57.743 56.287 0.016 0.000 0.942 625 K CB 0.051 32.548 32.500 -0.004 0.000 0.724 625 K HN 0.264 nan 8.250 nan 0.000 0.446 626 D N -0.233 120.227 120.400 0.101 0.000 2.144 626 D HA -0.155 4.485 4.640 0.000 0.000 0.199 626 D C 0.546 176.864 176.300 0.031 0.000 0.984 626 D CA 1.235 55.275 54.000 0.066 0.000 0.834 626 D CB -0.024 40.844 40.800 0.114 0.000 0.955 626 D HN 0.283 nan 8.370 nan 0.000 0.465 627 Y N 0.831 121.178 120.300 0.078 0.000 2.746 627 Y HA 0.122 4.672 4.550 0.000 0.000 0.312 627 Y C 1.591 177.541 175.900 0.082 0.000 1.117 627 Y CA -0.460 57.706 58.100 0.110 0.000 1.324 627 Y CB -0.314 38.292 38.460 0.242 0.000 1.173 627 Y HN 0.035 nan 8.280 nan 0.000 0.529 628 E N -0.768 119.520 120.200 0.146 0.000 2.333 628 E HA -0.196 4.154 4.350 0.000 0.000 0.198 628 E C 0.462 177.144 176.600 0.137 0.000 1.007 628 E CA 1.600 58.063 56.400 0.105 0.000 0.845 628 E CB 0.139 29.859 29.700 0.033 0.000 0.766 628 E HN 0.334 nan 8.360 nan 0.000 0.507 629 D N 0.738 121.215 120.400 0.128 0.000 2.197 629 D HA -0.103 4.537 4.640 0.000 0.000 0.212 629 D C 1.893 178.304 176.300 0.184 0.000 0.963 629 D CA 0.736 54.825 54.000 0.149 0.000 0.864 629 D CB -0.316 40.533 40.800 0.082 0.000 1.009 629 D HN 0.244 nan 8.370 nan 0.000 0.479 630 Q N 0.575 120.482 119.800 0.180 0.000 2.084 630 Q HA -0.118 4.222 4.340 0.000 0.000 0.202 630 Q C 2.085 178.184 176.000 0.165 0.000 0.978 630 Q CA 1.083 56.994 55.803 0.179 0.000 0.844 630 Q CB 0.123 29.012 28.738 0.250 0.000 0.898 630 Q HN 0.041 nan 8.270 nan 0.000 0.426 631 V N 0.385 120.417 119.914 0.196 0.000 2.295 631 V HA -0.237 3.883 4.120 0.000 0.000 0.246 631 V C 1.963 178.125 176.094 0.113 0.000 1.049 631 V CA 1.874 64.256 62.300 0.136 0.000 1.024 631 V CB -0.637 31.244 31.823 0.097 0.000 0.648 631 V HN 0.439 nan 8.190 nan 0.000 0.447 632 F N 1.080 121.044 119.950 0.023 0.000 2.171 632 F HA -0.170 4.358 4.527 0.000 0.000 0.300 632 F C 2.417 178.224 175.800 0.012 0.000 1.090 632 F CA 2.207 60.213 58.000 0.009 0.000 1.293 632 F CB -0.216 38.790 39.000 0.009 0.000 1.013 632 F HN 0.263 nan 8.300 nan 0.000 0.486 633 E N 0.083 120.276 120.200 -0.011 0.000 2.031 633 E HA -0.239 4.111 4.350 0.000 0.000 0.193 633 E C 2.294 178.814 176.600 -0.132 0.000 0.994 633 E CA 1.725 58.070 56.400 -0.092 0.000 0.800 633 E CB -0.204 29.517 29.700 0.034 0.000 0.752 633 E HN 0.446 nan 8.360 nan 0.000 0.447 634 M N 0.434 120.000 119.600 -0.058 0.000 2.082 634 M HA -0.226 4.254 4.480 0.000 0.000 0.258 634 M C 2.457 178.696 176.300 -0.103 0.000 1.069 634 M CA 1.538 56.808 55.300 -0.050 0.000 1.102 634 M CB -0.493 32.102 32.600 -0.008 0.000 1.336 634 M HN 0.246 nan 8.290 nan 0.000 0.404 635 I N 0.365 120.844 120.570 -0.153 0.000 2.264 635 I HA -0.301 3.869 4.170 0.000 0.000 0.248 635 I C 1.776 177.750 176.117 -0.237 0.000 1.111 635 I CA 1.040 62.228 61.300 -0.188 0.000 1.382 635 I CB -0.584 37.302 38.000 -0.191 0.000 1.060 635 I HN 0.381 nan 8.210 nan 0.000 0.418 636 N N 0.953 119.451 118.700 -0.337 0.000 2.521 636 N HA -0.050 4.690 4.740 0.000 0.000 0.188 636 N C 0.651 176.067 175.510 -0.157 0.000 1.146 636 N CA 0.567 53.441 53.050 -0.293 0.000 0.893 636 N CB -0.115 38.141 38.487 -0.386 0.000 0.975 636 N HN 0.389 nan 8.380 nan 0.000 0.451 637 N N -0.279 118.350 118.700 -0.118 0.000 2.234 637 N HA 0.107 4.847 4.740 0.000 0.000 0.227 637 N C 0.807 176.298 175.510 -0.031 0.000 1.151 637 N CA 0.189 53.204 53.050 -0.058 0.000 0.865 637 N CB 0.977 39.444 38.487 -0.035 0.000 1.066 637 N HN 0.190 nan 8.380 nan 0.000 0.515 638 G N 0.615 109.381 108.800 -0.056 0.000 2.159 638 G HA2 -0.304 3.656 3.960 0.000 0.000 0.256 638 G HA3 -0.304 3.656 3.960 0.000 0.000 0.256 638 G C 0.457 175.362 174.900 0.008 0.000 0.977 638 G CA 0.223 45.302 45.100 -0.036 0.000 0.652 638 G HN 0.593 nan 8.290 nan 0.000 0.531 639 A N -0.638 122.180 122.820 -0.004 0.000 2.583 639 A HA 0.491 4.811 4.320 0.000 0.000 0.231 639 A C 0.076 177.675 177.584 0.025 0.000 1.065 639 A CA 0.651 52.718 52.037 0.051 0.000 0.760 639 A CB 0.131 19.122 19.000 -0.015 0.000 1.001 639 A HN 0.815 nan 8.150 nan 0.000 0.509 640 F N -0.062 119.818 119.950 -0.116 0.000 2.450 640 F HA 0.569 5.096 4.527 0.000 0.000 0.332 640 F C 0.331 175.946 175.800 -0.308 0.000 1.093 640 F CA -0.483 57.385 58.000 -0.219 0.000 1.003 640 F CB 1.715 40.598 39.000 -0.195 0.000 1.151 640 F HN 0.334 nan 8.300 nan 0.000 0.474 641 I N 3.898 124.243 120.570 -0.375 0.000 2.362 641 I HA 0.284 4.454 4.170 0.000 0.000 0.289 641 I C -1.308 174.480 176.117 -0.548 0.000 0.994 641 I CA -0.749 60.282 61.300 -0.449 0.000 1.158 641 I CB 1.032 38.596 38.000 -0.727 0.000 1.315 641 I HN 0.424 nan 8.210 nan 0.000 0.451 642 Y N 5.152 125.433 120.300 -0.031 0.000 2.352 642 Y HA 0.597 5.147 4.550 0.000 0.000 0.339 642 Y C -0.177 175.893 175.900 0.284 0.000 0.992 642 Y CA -0.966 57.264 58.100 0.215 0.000 1.100 642 Y CB 1.967 40.650 38.460 0.371 0.000 1.192 642 Y HN 0.152 nan 8.280 nan 0.000 0.458 643 V N 3.215 123.473 119.914 0.573 0.000 2.443 643 V HA 0.452 4.572 4.120 0.000 0.000 0.293 643 V C -0.880 175.481 176.094 0.444 0.000 1.021 643 V CA -0.831 61.720 62.300 0.418 0.000 0.848 643 V CB 1.553 33.518 31.823 0.237 0.000 0.998 643 V HN 0.931 nan 8.190 nan 0.000 0.424 644 C N 4.252 123.808 119.300 0.426 0.000 2.535 644 C HA 1.020 5.480 4.460 0.000 0.000 0.319 644 C C 0.253 175.239 174.990 -0.007 0.000 1.171 644 C CA 0.644 59.752 59.018 0.150 0.000 1.394 644 C CB 0.539 28.291 27.740 0.019 0.000 1.990 644 C HN 1.513 nan 8.230 nan 0.000 0.466 645 G N 4.771 113.345 108.800 -0.377 0.000 2.359 645 G HA2 0.225 4.185 3.960 0.000 0.000 0.293 645 G HA3 0.225 4.185 3.960 0.000 0.000 0.293 645 G C -0.602 173.513 174.900 -1.309 0.000 1.300 645 G CA 0.560 45.192 45.100 -0.781 0.000 0.888 645 G HN 0.686 nan 8.290 nan 0.000 0.541 646 D N -0.248 119.454 120.400 -1.164 0.000 2.634 646 D HA 0.329 4.969 4.640 0.000 0.000 0.262 646 D C 1.903 177.902 176.300 -0.502 0.000 1.354 646 D CA 1.472 54.890 54.000 -0.971 0.000 1.028 646 D CB -0.235 40.243 40.800 -0.535 0.000 1.061 646 D HN 1.669 nan 8.370 nan 0.000 0.387 647 A N 2.415 125.038 122.820 -0.329 0.000 1.775 647 A HA -0.235 4.085 4.320 0.000 0.000 0.240 647 A C 0.311 177.735 177.584 -0.266 0.000 1.191 647 A CA 1.160 53.038 52.037 -0.265 0.000 0.763 647 A CB -1.875 16.943 19.000 -0.304 0.000 1.139 647 A HN 0.453 nan 8.150 nan 0.000 0.305 648 K N 0.694 120.959 120.400 -0.224 0.000 2.579 648 K HA 0.171 4.491 4.320 0.000 0.000 0.277 648 K C 1.143 177.622 176.600 -0.201 0.000 0.985 648 K CA 0.537 56.692 56.287 -0.220 0.000 1.088 648 K CB -0.249 32.167 32.500 -0.140 0.000 0.836 648 K HN 1.993 nan 8.250 nan 0.000 0.487 649 G N 2.669 111.332 108.800 -0.228 0.000 2.162 649 G HA2 -0.309 3.651 3.960 0.000 0.000 0.260 649 G HA3 -0.309 3.651 3.960 0.000 0.000 0.260 649 G C 0.434 175.236 174.900 -0.163 0.000 0.976 649 G CA 0.380 45.379 45.100 -0.169 0.000 0.655 649 G HN 0.720 nan 8.290 nan 0.000 0.533 650 M N 0.176 119.645 119.600 -0.218 0.000 2.394 650 M HA 0.365 4.845 4.480 0.000 0.000 0.266 650 M C 2.513 178.717 176.300 -0.159 0.000 1.098 650 M CA 1.967 57.144 55.300 -0.205 0.000 1.149 650 M CB -0.550 31.891 32.600 -0.264 0.000 1.369 650 M HN 0.569 nan 8.290 nan 0.000 0.450 651 A N 1.204 123.908 122.820 -0.193 0.000 1.841 651 A HA -0.177 4.143 4.320 0.000 0.000 0.214 651 A C 2.178 179.718 177.584 -0.072 0.000 1.195 651 A CA 1.768 53.727 52.037 -0.130 0.000 0.611 651 A CB -0.613 18.261 19.000 -0.209 0.000 0.835 651 A HN 0.522 nan 8.150 nan 0.000 0.443 652 K N -0.843 119.499 120.400 -0.097 0.000 2.063 652 K HA -0.121 4.199 4.320 0.000 0.000 0.208 652 K C 2.139 178.720 176.600 -0.031 0.000 1.048 652 K CA 1.141 57.397 56.287 -0.052 0.000 0.928 652 K CB -0.494 31.971 32.500 -0.058 0.000 0.713 652 K HN 0.486 nan 8.250 nan 0.000 0.442 653 G N 0.891 109.664 108.800 -0.044 0.000 2.459 653 G HA2 -0.235 3.725 3.960 0.000 0.000 0.217 653 G HA3 -0.235 3.725 3.960 0.000 0.000 0.217 653 G C 1.566 176.456 174.900 -0.017 0.000 1.183 653 G CA 0.892 45.978 45.100 -0.024 0.000 0.776 653 G HN 0.113 nan 8.290 nan 0.000 0.552 654 V N 0.681 120.579 119.914 -0.027 0.000 2.343 654 V HA -0.179 3.942 4.120 0.000 0.000 0.247 654 V C 3.027 179.141 176.094 0.033 0.000 1.051 654 V CA 2.236 64.522 62.300 -0.023 0.000 1.036 654 V CB -0.445 31.359 31.823 -0.031 0.000 0.654 654 V HN 0.472 nan 8.190 nan 0.000 0.451 655 S N -0.698 115.050 115.700 0.079 0.000 2.368 655 S HA -0.221 4.249 4.470 0.000 0.000 0.225 655 S C 2.076 176.715 174.600 0.066 0.000 1.030 655 S CA 2.271 60.547 58.200 0.128 0.000 0.999 655 S CB -0.355 62.876 63.200 0.052 0.000 0.844 655 S HN 0.670 nan 8.310 nan 0.000 0.459 656 T N 1.491 116.062 114.554 0.027 0.000 2.915 656 T HA 0.110 4.460 4.350 0.000 0.000 0.269 656 T C 1.914 176.620 174.700 0.010 0.000 1.071 656 T CA 1.098 63.207 62.100 0.015 0.000 1.132 656 T CB -0.402 68.468 68.868 0.003 0.000 0.878 656 T HN 0.499 nan 8.240 nan 0.000 0.479 657 A N 0.862 123.683 122.820 0.001 0.000 1.929 657 A HA 0.151 4.471 4.320 0.000 0.000 0.216 657 A C 2.217 179.797 177.584 -0.007 0.000 1.176 657 A CA 0.814 52.842 52.037 -0.015 0.000 0.628 657 A CB -0.560 18.414 19.000 -0.043 0.000 0.816 657 A HN 0.452 nan 8.150 nan 0.000 0.444 658 L N -0.564 120.667 121.223 0.013 0.000 2.027 658 L HA -0.137 4.203 4.340 0.000 0.000 0.206 658 L C 2.506 179.414 176.870 0.063 0.000 1.074 658 L CA 0.972 55.836 54.840 0.040 0.000 0.745 658 L CB -0.581 41.531 42.059 0.088 0.000 0.898 658 L HN 0.222 nan 8.230 nan 0.000 0.433 659 V N 0.355 120.305 119.914 0.060 0.000 2.380 659 V HA -0.262 3.858 4.120 0.000 0.000 0.251 659 V C 2.564 178.677 176.094 0.031 0.000 1.063 659 V CA 2.099 64.428 62.300 0.048 0.000 1.055 659 V CB -1.230 30.612 31.823 0.032 0.000 0.657 659 V HN 0.601 nan 8.190 nan 0.000 0.455 660 G N -0.471 108.338 108.800 0.015 0.000 2.394 660 G HA2 -0.166 3.794 3.960 0.000 0.000 0.215 660 G HA3 -0.166 3.794 3.960 0.000 0.000 0.215 660 G C 1.555 176.447 174.900 -0.013 0.000 1.165 660 G CA 0.755 45.852 45.100 -0.005 0.000 0.784 660 G HN 0.482 nan 8.290 nan 0.000 0.535 661 I N -0.101 120.473 120.570 0.007 0.000 2.264 661 I HA -0.134 4.036 4.170 0.000 0.000 0.248 661 I C 2.566 178.699 176.117 0.027 0.000 1.111 661 I CA 0.523 61.831 61.300 0.014 0.000 1.382 661 I CB -0.124 37.916 38.000 0.067 0.000 1.060 661 I HN 0.116 nan 8.210 nan 0.000 0.418 662 L N -0.111 121.171 121.223 0.098 0.000 2.095 662 L HA -0.125 4.215 4.340 0.000 0.000 0.204 662 L C 2.708 179.602 176.870 0.039 0.000 1.080 662 L CA 1.559 56.498 54.840 0.165 0.000 0.759 662 L CB -0.674 41.477 42.059 0.154 0.000 0.914 662 L HN 0.094 nan 8.230 nan 0.000 0.439 663 S N -0.837 114.866 115.700 0.005 0.000 2.359 663 S HA -0.239 4.231 4.470 0.000 0.000 0.224 663 S C 2.254 176.811 174.600 -0.073 0.000 1.035 663 S CA 1.557 59.745 58.200 -0.021 0.000 1.018 663 S CB -0.080 63.110 63.200 -0.017 0.000 0.876 663 S HN 0.354 nan 8.310 nan 0.000 0.448 664 R N -0.239 120.191 120.500 -0.117 0.000 2.066 664 R HA 0.009 4.349 4.340 0.000 0.000 0.232 664 R C 2.659 178.782 176.300 -0.295 0.000 1.131 664 R CA 1.152 57.151 56.100 -0.167 0.000 0.955 664 R CB -0.945 29.261 30.300 -0.158 0.000 0.851 664 R HN 0.519 nan 8.270 nan 0.000 0.432 665 G N 1.318 109.793 108.800 -0.543 0.000 2.476 665 G HA2 -0.282 3.678 3.960 0.000 0.000 0.218 665 G HA3 -0.282 3.678 3.960 0.000 0.000 0.218 665 G C 1.062 175.629 174.900 -0.555 0.000 1.164 665 G CA 0.937 45.324 45.100 -1.188 0.000 0.768 665 G HN 0.298 nan 8.290 nan 0.000 0.560 666 K N 0.027 120.338 120.400 -0.149 0.000 2.374 666 K HA 0.323 4.643 4.320 0.000 0.000 0.196 666 K C 0.864 177.460 176.600 -0.006 0.000 1.023 666 K CA 0.462 56.781 56.287 0.052 0.000 1.103 666 K CB 0.589 33.180 32.500 0.151 0.000 0.848 666 K HN 0.098 nan 8.250 nan 0.000 0.528 667 S N 1.112 116.776 115.700 -0.060 0.000 3.698 667 S HA -0.136 4.334 4.470 0.000 0.000 0.338 667 S C 0.152 174.740 174.600 -0.020 0.000 1.089 667 S CA 0.774 58.947 58.200 -0.045 0.000 0.991 667 S CB -2.017 61.162 63.200 -0.035 0.000 0.909 667 S HN 0.562 nan 8.310 nan 0.000 0.485 668 I N -1.874 118.689 120.570 -0.012 0.000 3.076 668 I HA 0.770 4.940 4.170 0.000 0.000 0.313 668 I C 0.930 177.044 176.117 -0.005 0.000 1.053 668 I CA -0.857 60.443 61.300 -0.000 0.000 1.048 668 I CB 1.079 39.088 38.000 0.015 0.000 1.264 668 I HN 0.198 nan 8.210 nan 0.000 0.498 669 T N -1.105 113.449 114.554 -0.001 0.000 2.726 669 T HA 0.145 4.495 4.350 0.000 0.000 0.294 669 T C 0.963 175.663 174.700 -0.000 0.000 1.013 669 T CA -0.063 62.035 62.100 -0.003 0.000 0.996 669 T CB 0.625 69.491 68.868 -0.002 0.000 1.016 669 T HN 0.720 nan 8.240 nan 0.000 0.529 670 T N 0.233 114.786 114.554 -0.002 0.000 2.995 670 T HA -0.040 4.310 4.350 0.000 0.000 0.269 670 T C 1.326 176.030 174.700 0.006 0.000 1.091 670 T CA 0.794 62.895 62.100 0.002 0.000 1.128 670 T CB -0.235 68.632 68.868 -0.002 0.000 0.891 670 T HN 0.607 nan 8.240 nan 0.000 0.492 671 D N 1.324 121.727 120.400 0.005 0.000 2.110 671 D HA -0.055 4.585 4.640 0.000 0.000 0.202 671 D C 2.094 178.399 176.300 0.010 0.000 0.975 671 D CA 0.786 54.790 54.000 0.006 0.000 0.839 671 D CB -0.191 40.610 40.800 0.003 0.000 0.996 671 D HN 0.437 nan 8.370 nan 0.000 0.464 672 E N 1.000 121.206 120.200 0.009 0.000 2.097 672 E HA -0.211 4.139 4.350 0.000 0.000 0.196 672 E C 2.016 178.627 176.600 0.019 0.000 1.000 672 E CA 1.211 57.619 56.400 0.013 0.000 0.804 672 E CB 0.035 29.742 29.700 0.012 0.000 0.740 672 E HN 0.148 nan 8.360 nan 0.000 0.454 673 A N 0.351 123.184 122.820 0.022 0.000 1.902 673 A HA -0.205 4.115 4.320 0.000 0.000 0.217 673 A C 2.420 180.022 177.584 0.030 0.000 1.181 673 A CA 2.373 54.429 52.037 0.032 0.000 0.623 673 A CB -1.168 17.851 19.000 0.031 0.000 0.818 673 A HN 0.530 nan 8.150 nan 0.000 0.443 674 T N -2.556 112.011 114.554 0.022 0.000 2.915 674 T HA -0.082 4.268 4.350 0.000 0.000 0.269 674 T C 1.592 176.302 174.700 0.017 0.000 1.071 674 T CA 1.492 63.604 62.100 0.020 0.000 1.132 674 T CB -0.204 68.677 68.868 0.021 0.000 0.878 674 T HN 0.578 nan 8.240 nan 0.000 0.479 675 E N 0.932 121.143 120.200 0.018 0.000 2.047 675 E HA 0.038 4.388 4.350 0.000 0.000 0.191 675 E C 2.138 178.745 176.600 0.012 0.000 0.987 675 E CA 0.982 57.391 56.400 0.016 0.000 0.799 675 E CB -0.304 29.404 29.700 0.013 0.000 0.752 675 E HN 0.486 nan 8.360 nan 0.000 0.449 676 L N 0.724 121.956 121.223 0.015 0.000 2.083 676 L HA -0.196 4.144 4.340 0.000 0.000 0.209 676 L C 2.297 179.172 176.870 0.008 0.000 1.083 676 L CA 0.552 55.399 54.840 0.013 0.000 0.752 676 L CB -0.426 41.648 42.059 0.027 0.000 0.899 676 L HN 0.259 nan 8.230 nan 0.000 0.433 677 I N 0.158 120.734 120.570 0.010 0.000 2.394 677 I HA -0.213 3.957 4.170 0.000 0.000 0.251 677 I C 2.423 178.487 176.117 -0.089 0.000 1.136 677 I CA 1.416 62.710 61.300 -0.009 0.000 1.425 677 I CB -0.712 37.285 38.000 -0.005 0.000 1.079 677 I HN 0.309 nan 8.210 nan 0.000 0.425 678 K N 0.110 120.478 120.400 -0.053 0.000 2.148 678 K HA -0.082 4.238 4.320 0.000 0.000 0.204 678 K C 2.134 178.709 176.600 -0.041 0.000 1.050 678 K CA 1.095 57.354 56.287 -0.047 0.000 0.942 678 K CB -0.008 32.515 32.500 0.039 0.000 0.724 678 K HN 0.298 nan 8.250 nan 0.000 0.446 679 M N 0.660 120.245 119.600 -0.025 0.000 2.099 679 M HA -0.148 4.332 4.480 0.000 0.000 0.262 679 M C 2.142 178.418 176.300 -0.040 0.000 1.067 679 M CA 1.555 56.841 55.300 -0.022 0.000 1.124 679 M CB -0.486 32.104 32.600 -0.017 0.000 1.353 679 M HN 0.104 nan 8.290 nan 0.000 0.410 680 L N 0.121 121.319 121.223 -0.042 0.000 2.079 680 L HA -0.213 4.127 4.340 0.000 0.000 0.210 680 L C 2.341 179.193 176.870 -0.030 0.000 1.081 680 L CA 1.342 56.157 54.840 -0.042 0.000 0.752 680 L CB -0.701 41.376 42.059 0.030 0.000 0.896 680 L HN 0.329 nan 8.230 nan 0.000 0.433 681 K N -0.921 119.433 120.400 -0.077 0.000 2.288 681 K HA -0.048 4.272 4.320 0.000 0.000 0.201 681 K C 1.964 178.535 176.600 -0.048 0.000 1.048 681 K CA 1.166 57.392 56.287 -0.102 0.000 0.956 681 K CB 0.001 32.332 32.500 -0.282 0.000 0.746 681 K HN 0.238 nan 8.250 nan 0.000 0.461 682 T N 0.306 114.838 114.554 -0.037 0.000 2.976 682 T HA -0.061 4.289 4.350 0.000 0.000 0.257 682 T C 1.849 176.548 174.700 -0.001 0.000 1.051 682 T CA 1.198 63.294 62.100 -0.007 0.000 1.141 682 T CB 0.082 68.952 68.868 0.005 0.000 0.881 682 T HN 0.278 nan 8.240 nan 0.000 0.461 683 S N 0.538 116.225 115.700 -0.022 0.000 2.607 683 S HA 0.298 4.768 4.470 0.000 0.000 0.224 683 S C 1.880 176.465 174.600 -0.025 0.000 0.969 683 S CA 0.668 58.851 58.200 -0.028 0.000 0.927 683 S CB -0.399 62.765 63.200 -0.061 0.000 0.772 683 S HN 0.671 nan 8.310 nan 0.000 0.533 684 G N 1.633 110.428 108.800 -0.008 0.000 2.179 684 G HA2 -0.307 3.653 3.960 0.000 0.000 0.260 684 G HA3 -0.307 3.653 3.960 0.000 0.000 0.260 684 G C 0.926 175.797 174.900 -0.048 0.000 0.977 684 G CA 0.348 45.472 45.100 0.041 0.000 0.641 684 G HN 0.522 nan 8.290 nan 0.000 0.533 685 R N -1.043 119.278 120.500 -0.299 0.000 2.236 685 R HA 0.153 4.493 4.340 0.000 0.000 0.208 685 R C 0.505 176.574 176.300 -0.385 0.000 1.036 685 R CA 0.677 56.309 56.100 -0.780 0.000 1.001 685 R CB 0.151 29.998 30.300 -0.755 0.000 0.896 685 R HN 0.526 nan 8.270 nan 0.000 0.464 686 Y N 1.590 121.728 120.300 -0.270 0.000 2.447 686 Y HA 0.230 4.780 4.550 0.000 0.000 0.325 686 Y C -0.865 174.986 175.900 -0.083 0.000 0.976 686 Y CA -0.913 57.076 58.100 -0.184 0.000 1.280 686 Y CB 0.760 39.144 38.460 -0.126 0.000 1.104 686 Y HN -0.090 nan 8.280 nan 0.000 0.486 687 Q N 4.246 124.148 119.800 0.170 0.000 2.257 687 Q HA 0.480 4.821 4.340 0.000 0.000 0.262 687 Q C -1.152 175.205 176.000 0.596 0.000 0.997 687 Q CA -0.936 55.079 55.803 0.355 0.000 0.873 687 Q CB 2.564 31.477 28.738 0.291 0.000 1.312 687 Q HN 0.649 nan 8.270 nan 0.000 0.450 688 E N 0.691 121.248 120.200 0.595 0.000 2.331 688 E HA 0.263 4.613 4.350 0.000 0.000 0.275 688 E C -1.580 175.169 176.600 0.248 0.000 0.895 688 E CA -0.444 56.234 56.400 0.464 0.000 0.753 688 E CB 1.885 31.763 29.700 0.297 0.000 1.216 688 E HN 0.432 nan 8.360 nan 0.000 0.434 689 D N 2.040 122.445 120.400 0.009 0.000 2.552 689 D HA 0.217 4.857 4.640 0.000 0.000 0.285 689 D C -1.674 174.639 176.300 0.021 0.000 1.206 689 D CA -0.145 53.773 54.000 -0.137 0.000 0.826 689 D CB 0.829 41.202 40.800 -0.712 0.000 1.179 689 D HN 0.040 nan 8.370 nan 0.000 0.508 690 V N 3.280 123.241 119.914 0.079 0.000 2.347 690 V HA 0.577 4.697 4.120 0.000 0.000 0.280 690 V C -0.129 176.043 176.094 0.130 0.000 1.021 690 V CA -0.749 61.522 62.300 -0.048 0.000 0.847 690 V CB 0.154 31.905 31.823 -0.119 0.000 0.990 690 V HN 0.431 nan 8.190 nan 0.000 0.444 691 W N 0.000 121.326 121.300 0.044 0.000 2.388 691 W HA 0.000 4.660 4.660 0.000 0.000 0.303 691 W CA 0.000 57.386 57.345 0.069 0.000 1.226 691 W CB 0.000 29.438 29.460 -0.037 0.000 1.126 691 W HN 0.000 nan 8.180 nan 0.000 0.535