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 2yr4_1_A DATA FIRST_RESID 1 DATA SEQUENCE GVTVIPRLLG LKDEKKIATT VGEARLSGIN YRHPDSALVS YPVAAAAPLG DATA SEQUENCE RLPAGNYRIA IVGGGAGGIA ALYELGRLAA TLPAGSGIDV QIYEADPDSF DATA SEQUENCE LHDRXXXXAI KVRGLKAGRV SAALVHNGDP ASGDTIYEVG AMRFPEIAGL DATA SEQUENCE TWHYASAAFG DAAPIKVFPN PGKVPTEFVF GNRVDRYVGS DPKDWEDPDS DATA SEQUENCE PTLKVLGVVA GGLVGNPQGE NVAMYPIANV DPAKIAAILN AATPPADALE DATA SEQUENCE RIQTKYWPEF IAQYDGLTLG AAVREIVTVA FEKGTLPPVD GVLDVDESIS DATA SEQUENCE YYVELFGRFG FGTGGFKPLY NISLVEMMRL ILWDYSNEYT LPVTENVEFI DATA SEQUENCE RNLFLKAQNV GAGKLVVQVR QERVANACHS GTASARAQLL SYDSHNAVHS DATA SEQUENCE EAYDFVILAV PHDQLTPIVS RSGFEHAASQ NLGDAGLGLE THTYNQVYPP DATA SEQUENCE LLLSDSSPAA NARIVTAIGQ LHMARSSKVF ATVKTAALDQ PWVPQWRGEP DATA SEQUENCE IKAVVSDSGL AASYVVPSPX XXXXXXPEYS SLLASYTWED DSTRLRXXXX DATA SEQUENCE XXXXXXXXXX XTADGMYRTM VNRAYRYVKY AGASNAQPWW FYQLLAEART DATA SEQUENCE ADRFVFDWTT NXXXGGFKLD MTGDHHQSNL CFRYHTHALA ASLDNRFFIA DATA SEQUENCE SDSYSHLGGW LEGAFMSALN AVAGLIVRAN RGDVSALSTE ARPLVIGLRP DATA SEQUENCE VVK 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 1 G C 0.000 174.769 174.900 -0.219 0.000 0.946 1 G CA 0.000 44.346 45.100 -1.257 0.000 0.502 2 V N 1.559 121.528 119.914 0.092 0.000 2.389 2 V HA 0.389 4.508 4.120 -0.001 0.000 0.264 2 V C 0.508 176.915 176.094 0.522 0.000 1.049 2 V CA -0.170 62.225 62.300 0.158 0.000 0.932 2 V CB 0.719 32.532 31.823 -0.015 0.000 1.011 2 V HN 0.654 nan 8.190 nan 0.000 0.475 3 T N 5.498 120.323 114.554 0.450 0.000 2.779 3 T HA 0.358 4.707 4.350 -0.001 0.000 0.296 3 T C -0.054 174.846 174.700 0.334 0.000 0.938 3 T CA -0.016 62.368 62.100 0.473 0.000 1.119 3 T CB 0.705 69.801 68.868 0.380 0.000 0.891 3 T HN 0.409 nan 8.240 nan 0.000 0.526 4 V N 6.139 126.186 119.914 0.222 0.000 2.419 4 V HA 0.434 4.553 4.120 -0.001 0.000 0.287 4 V C -0.261 175.846 176.094 0.021 0.000 1.017 4 V CA -0.652 61.789 62.300 0.235 0.000 0.844 4 V CB 1.093 33.019 31.823 0.172 0.000 1.011 4 V HN 0.810 nan 8.190 nan 0.000 0.429 5 I N 6.858 127.528 120.570 0.167 0.000 2.537 5 I HA 0.302 4.472 4.170 -0.001 0.000 0.276 5 I C -1.712 174.417 176.117 0.021 0.000 1.063 5 I CA -1.683 59.592 61.300 -0.043 0.000 1.144 5 I CB 2.225 40.176 38.000 -0.081 0.000 1.252 5 I HN 0.376 nan 8.210 nan 0.000 0.480 6 P HA -0.126 nan 4.420 nan 0.000 0.216 6 P C 0.183 177.234 177.300 -0.415 0.000 1.153 6 P CA 1.314 64.069 63.100 -0.574 0.000 0.858 6 P CB 0.172 31.662 31.700 -0.350 0.000 0.789 7 R N -0.412 119.975 120.500 -0.189 0.000 2.494 7 R HA 0.319 4.658 4.340 -0.001 0.000 0.284 7 R C -0.748 175.538 176.300 -0.023 0.000 1.525 7 R CA -1.003 55.036 56.100 -0.100 0.000 1.460 7 R CB -0.049 30.199 30.300 -0.086 0.000 1.134 7 R HN 0.104 nan 8.270 nan 0.000 0.592 8 L N 3.180 124.422 121.223 0.032 0.000 2.360 8 L HA 0.310 4.649 4.340 -0.001 0.000 0.276 8 L C -0.590 176.343 176.870 0.105 0.000 1.121 8 L CA 0.175 55.063 54.840 0.080 0.000 0.845 8 L CB 0.465 42.611 42.059 0.145 0.000 1.143 8 L HN 0.393 nan 8.230 nan 0.000 0.452 9 L N 4.959 126.229 121.223 0.079 0.000 2.329 9 L HA 0.582 4.922 4.340 -0.001 0.000 0.279 9 L C 0.846 177.763 176.870 0.079 0.000 1.014 9 L CA -0.873 54.016 54.840 0.082 0.000 0.814 9 L CB 1.482 43.573 42.059 0.053 0.000 1.257 9 L HN 0.734 nan 8.230 nan 0.000 0.424 10 G N 1.020 109.873 108.800 0.088 0.000 2.491 10 G HA2 0.198 4.157 3.960 -0.001 0.000 0.238 10 G HA3 0.198 4.157 3.960 -0.001 0.000 0.238 10 G C 0.620 175.540 174.900 0.033 0.000 1.277 10 G CA -0.409 44.727 45.100 0.059 0.000 0.851 10 G HN 0.562 nan 8.290 nan 0.000 0.573 11 L N 0.769 122.000 121.223 0.013 0.000 2.093 11 L HA 0.115 4.454 4.340 -0.001 0.000 0.208 11 L C 1.921 178.793 176.870 0.003 0.000 1.085 11 L CA 1.169 56.011 54.840 0.004 0.000 0.755 11 L CB -0.485 41.566 42.059 -0.013 0.000 0.904 11 L HN 0.551 nan 8.230 nan 0.000 0.435 12 K N 0.576 120.975 120.400 -0.003 0.000 2.472 12 K HA -0.076 4.243 4.320 -0.001 0.000 0.280 12 K C 0.142 176.741 176.600 -0.001 0.000 1.028 12 K CA 0.697 56.978 56.287 -0.010 0.000 1.045 12 K CB 0.089 32.575 32.500 -0.024 0.000 0.902 12 K HN 0.279 nan 8.250 nan 0.000 0.478 13 D N 0.999 121.398 120.400 -0.002 0.000 2.946 13 D HA -0.217 4.422 4.640 -0.001 0.000 0.202 13 D C -0.222 176.084 176.300 0.009 0.000 1.068 13 D CA 1.108 55.108 54.000 0.001 0.000 1.011 13 D CB -0.863 39.936 40.800 -0.001 0.000 1.105 13 D HN 0.800 nan 8.370 nan 0.000 0.425 14 E N 1.081 121.289 120.200 0.014 0.000 2.415 14 E HA 0.071 4.420 4.350 -0.001 0.000 0.263 14 E C 0.214 176.826 176.600 0.020 0.000 0.995 14 E CA 0.115 56.527 56.400 0.021 0.000 0.915 14 E CB 0.565 30.281 29.700 0.026 0.000 0.951 14 E HN -0.109 nan 8.360 nan 0.000 0.449 15 K N 2.811 123.223 120.400 0.019 0.000 2.168 15 K HA 0.248 4.567 4.320 -0.001 0.000 0.239 15 K C -0.231 176.382 176.600 0.021 0.000 0.999 15 K CA -0.667 55.630 56.287 0.016 0.000 0.900 15 K CB 0.984 33.489 32.500 0.009 0.000 1.111 15 K HN 0.559 nan 8.250 nan 0.000 0.452 16 K N 0.024 120.433 120.400 0.014 0.000 3.192 16 K HA -0.170 4.149 4.320 -0.001 0.000 0.278 16 K C -0.261 176.357 176.600 0.030 0.000 1.164 16 K CA 0.346 56.639 56.287 0.010 0.000 0.816 16 K CB -1.702 30.803 32.500 0.008 0.000 1.256 16 K HN 0.475 nan 8.250 nan 0.000 0.497 17 I N 1.589 122.188 120.570 0.048 0.000 2.416 17 I HA 0.165 4.334 4.170 -0.001 0.000 0.288 17 I C 1.074 177.224 176.117 0.056 0.000 1.051 17 I CA -0.260 61.108 61.300 0.114 0.000 1.375 17 I CB 0.962 39.033 38.000 0.119 0.000 1.407 17 I HN 0.250 nan 8.210 nan 0.000 0.516 18 A N 4.316 127.135 122.820 -0.001 0.000 2.425 18 A HA 0.394 4.713 4.320 -0.001 0.000 0.249 18 A C 0.888 178.331 177.584 -0.234 0.000 1.084 18 A CA -0.055 51.819 52.037 -0.272 0.000 0.781 18 A CB 0.201 18.806 19.000 -0.658 0.000 1.019 18 A HN 0.851 nan 8.150 nan 0.000 0.490 19 T N -2.030 112.401 114.554 -0.206 0.000 3.004 19 T HA 0.328 4.677 4.350 -0.001 0.000 0.266 19 T C 0.461 175.066 174.700 -0.158 0.000 0.986 19 T CA 0.663 62.688 62.100 -0.126 0.000 0.902 19 T CB -0.474 68.358 68.868 -0.060 0.000 1.118 19 T HN 1.198 nan 8.240 nan 0.000 0.522 20 T N -1.584 112.828 114.554 -0.237 0.000 2.896 20 T HA 0.606 4.955 4.350 -0.001 0.000 0.297 20 T C 1.119 175.621 174.700 -0.329 0.000 1.108 20 T CA -0.422 61.551 62.100 -0.211 0.000 1.004 20 T CB 1.703 70.486 68.868 -0.141 0.000 1.159 20 T HN -0.207 nan 8.240 nan 0.000 0.499 21 V N 1.894 121.677 119.914 -0.219 0.000 2.278 21 V HA -0.100 4.019 4.120 -0.001 0.000 0.251 21 V C 2.847 178.805 176.094 -0.226 0.000 1.062 21 V CA 2.789 64.980 62.300 -0.182 0.000 1.038 21 V CB -1.340 30.514 31.823 0.051 0.000 0.646 21 V HN 1.111 nan 8.190 nan 0.000 0.447 22 G N -1.148 107.559 108.800 -0.155 0.000 2.408 22 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.217 22 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.217 22 G C 1.466 176.253 174.900 -0.188 0.000 1.150 22 G CA 0.769 45.793 45.100 -0.127 0.000 0.776 22 G HN 0.576 nan 8.290 nan 0.000 0.542 23 E N 0.470 120.520 120.200 -0.250 0.000 2.072 23 E HA -0.038 4.311 4.350 -0.001 0.000 0.191 23 E C 2.944 179.309 176.600 -0.392 0.000 0.985 23 E CA 0.771 57.008 56.400 -0.271 0.000 0.801 23 E CB -0.157 29.383 29.700 -0.267 0.000 0.750 23 E HN 0.405 nan 8.360 nan 0.000 0.452 24 A N 1.550 123.969 122.820 -0.668 0.000 1.898 24 A HA -0.196 4.123 4.320 -0.001 0.000 0.216 24 A C 2.095 179.300 177.584 -0.631 0.000 1.181 24 A CA 1.444 52.901 52.037 -0.966 0.000 0.620 24 A CB -0.477 17.277 19.000 -2.077 0.000 0.819 24 A HN 0.084 nan 8.150 nan 0.000 0.442 25 R N -0.228 120.041 120.500 -0.385 0.000 2.117 25 R HA -0.127 4.212 4.340 -0.001 0.000 0.243 25 R C 1.823 178.117 176.300 -0.010 0.000 1.143 25 R CA 1.674 57.762 56.100 -0.021 0.000 0.968 25 R CB -0.400 29.928 30.300 0.047 0.000 0.863 25 R HN 0.551 nan 8.270 nan 0.000 0.444 26 L N -0.310 120.865 121.223 -0.079 0.000 2.156 26 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 26 L C 2.421 179.277 176.870 -0.024 0.000 1.095 26 L CA 0.950 55.767 54.840 -0.038 0.000 0.770 26 L CB -0.334 41.691 42.059 -0.057 0.000 0.914 26 L HN 0.206 nan 8.230 nan 0.000 0.439 27 S N 0.093 115.752 115.700 -0.068 0.000 2.383 27 S HA -0.126 4.343 4.470 -0.001 0.000 0.229 27 S C 1.648 176.267 174.600 0.033 0.000 1.030 27 S CA 1.493 59.672 58.200 -0.034 0.000 1.002 27 S CB -0.258 62.897 63.200 -0.074 0.000 0.829 27 S HN 0.602 nan 8.310 nan 0.000 0.467 28 G N -0.170 108.678 108.800 0.080 0.000 3.502 28 G HA2 0.249 4.208 3.960 -0.001 0.000 0.267 28 G HA3 0.249 4.208 3.960 -0.001 0.000 0.267 28 G C 0.910 175.931 174.900 0.201 0.000 1.090 28 G CA -0.390 44.809 45.100 0.164 0.000 0.795 28 G HN 0.443 nan 8.290 nan 0.000 0.535 29 I N 0.010 120.664 120.570 0.140 0.000 2.454 29 I HA -0.135 4.034 4.170 -0.001 0.000 0.254 29 I C 1.965 178.158 176.117 0.127 0.000 1.156 29 I CA 1.154 62.530 61.300 0.127 0.000 1.433 29 I CB 0.215 38.264 38.000 0.082 0.000 1.082 29 I HN 0.195 nan 8.210 nan 0.000 0.432 30 N N -1.525 117.251 118.700 0.128 0.000 2.325 30 N HA -0.047 4.692 4.740 -0.001 0.000 0.182 30 N C -0.053 175.526 175.510 0.115 0.000 1.088 30 N CA -0.222 52.890 53.050 0.102 0.000 0.879 30 N CB 0.141 38.670 38.487 0.069 0.000 0.983 30 N HN 0.239 nan 8.380 nan 0.000 0.471 31 Y N 2.661 123.010 120.300 0.081 0.000 2.526 31 Y HA 0.105 4.654 4.550 -0.001 0.000 0.330 31 Y C -0.185 175.739 175.900 0.039 0.000 1.156 31 Y CA -0.271 57.858 58.100 0.049 0.000 1.419 31 Y CB 0.336 38.847 38.460 0.086 0.000 1.250 31 Y HN -0.127 nan 8.280 nan 0.000 0.540 32 R N 5.353 125.381 120.500 -0.786 0.000 2.437 32 R HA 0.307 4.646 4.340 -0.001 0.000 0.310 32 R C -0.925 174.899 176.300 -0.793 0.000 0.955 32 R CA -0.897 54.932 56.100 -0.451 0.000 0.851 32 R CB 1.159 31.314 30.300 -0.242 0.000 1.161 32 R HN 0.701 nan 8.270 nan 0.000 0.446 33 H N 3.566 122.487 119.070 -0.248 0.000 2.615 33 H HA 0.053 4.608 4.556 -0.001 0.000 0.363 33 H C -1.416 173.729 175.328 -0.306 0.000 1.148 33 H CA -1.633 54.297 56.048 -0.197 0.000 1.401 33 H CB 1.304 30.985 29.762 -0.135 0.000 1.461 33 H HN 0.411 nan 8.280 nan 0.000 0.588 34 P HA -0.111 nan 4.420 nan 0.000 0.223 34 P C 0.518 177.533 177.300 -0.475 0.000 1.151 34 P CA 1.094 63.754 63.100 -0.734 0.000 0.787 34 P CB 0.405 31.052 31.700 -1.756 0.000 0.788 35 D N -0.164 120.089 120.400 -0.244 0.000 2.355 35 D HA 0.008 4.647 4.640 -0.001 0.000 0.218 35 D C 0.628 177.079 176.300 0.251 0.000 1.004 35 D CA 0.862 54.895 54.000 0.056 0.000 0.880 35 D CB 0.203 40.908 40.800 -0.158 0.000 0.911 35 D HN 0.302 nan 8.370 nan 0.000 0.528 36 S N -0.719 115.109 115.700 0.214 0.000 2.694 36 S HA 0.479 4.948 4.470 -0.001 0.000 0.232 36 S C 0.898 175.624 174.600 0.209 0.000 1.017 36 S CA -0.569 57.847 58.200 0.361 0.000 1.139 36 S CB 0.894 64.484 63.200 0.651 0.000 1.247 36 S HN 0.080 nan 8.310 nan 0.000 0.452 37 A N 1.088 123.965 122.820 0.094 0.000 2.168 37 A HA 0.337 4.656 4.320 -0.001 0.000 0.215 37 A C 1.663 179.262 177.584 0.025 0.000 1.152 37 A CA 0.553 52.590 52.037 -0.001 0.000 0.716 37 A CB -0.527 18.448 19.000 -0.043 0.000 0.794 37 A HN 0.650 nan 8.150 nan 0.000 0.465 38 L N -0.911 120.353 121.223 0.070 0.000 2.552 38 L HA 0.127 4.466 4.340 -0.001 0.000 0.227 38 L C 0.329 177.227 176.870 0.047 0.000 1.146 38 L CA 0.231 55.101 54.840 0.051 0.000 0.858 38 L CB 0.307 42.399 42.059 0.054 0.000 0.969 38 L HN 0.245 nan 8.230 nan 0.000 0.451 39 V N -1.220 118.744 119.914 0.084 0.000 2.733 39 V HA 0.318 4.438 4.120 -0.001 0.000 0.306 39 V C -0.572 175.617 176.094 0.158 0.000 1.084 39 V CA -0.596 61.748 62.300 0.074 0.000 0.905 39 V CB 2.344 34.167 31.823 -0.000 0.000 1.010 39 V HN 0.005 nan 8.190 nan 0.000 0.424 40 S N 5.596 121.362 115.700 0.111 0.000 2.439 40 S HA 0.334 4.803 4.470 -0.001 0.000 0.282 40 S C 0.518 175.235 174.600 0.195 0.000 1.170 40 S CA -0.165 58.139 58.200 0.173 0.000 1.054 40 S CB 0.412 63.673 63.200 0.102 0.000 0.956 40 S HN 0.707 nan 8.310 nan 0.000 0.490 41 Y N 5.257 125.604 120.300 0.079 0.000 2.224 41 Y HA 0.077 4.626 4.550 -0.001 0.000 0.289 41 Y C -0.738 175.118 175.900 -0.074 0.000 1.146 41 Y CA 0.941 59.062 58.100 0.035 0.000 1.182 41 Y CB -1.661 36.855 38.460 0.093 0.000 0.983 41 Y HN 0.583 nan 8.280 nan 0.000 0.524 42 P HA -0.161 nan 4.420 nan 0.000 0.218 42 P C 1.851 179.070 177.300 -0.135 0.000 1.148 42 P CA 1.547 64.568 63.100 -0.131 0.000 0.822 42 P CB 0.039 31.754 31.700 0.025 0.000 0.784 43 V N 0.035 119.928 119.914 -0.035 0.000 2.379 43 V HA -0.195 3.924 4.120 -0.001 0.000 0.245 43 V C 2.461 178.514 176.094 -0.069 0.000 1.044 43 V CA 2.060 64.340 62.300 -0.034 0.000 1.036 43 V CB -1.695 30.126 31.823 -0.004 0.000 0.664 43 V HN 0.088 nan 8.190 nan 0.000 0.453 44 A N 0.140 122.902 122.820 -0.096 0.000 1.940 44 A HA -0.122 4.197 4.320 -0.001 0.000 0.219 44 A C 2.213 179.718 177.584 -0.131 0.000 1.176 44 A CA 2.062 54.020 52.037 -0.133 0.000 0.631 44 A CB -0.596 18.266 19.000 -0.230 0.000 0.814 44 A HN 0.605 nan 8.150 nan 0.000 0.446 45 A N -0.918 121.788 122.820 -0.191 0.000 2.251 45 A HA 0.512 4.831 4.320 -0.001 0.000 0.209 45 A C 2.078 179.606 177.584 -0.094 0.000 1.187 45 A CA 1.071 52.980 52.037 -0.214 0.000 0.823 45 A CB -0.601 18.085 19.000 -0.523 0.000 0.846 45 A HN 0.891 nan 8.150 nan 0.000 0.486 46 A N -0.466 122.321 122.820 -0.055 0.000 2.015 46 A HA 0.453 4.773 4.320 -0.001 0.000 0.219 46 A C 1.320 178.945 177.584 0.069 0.000 1.163 46 A CA 1.404 53.478 52.037 0.061 0.000 0.646 46 A CB -0.336 18.683 19.000 0.031 0.000 0.806 46 A HN 1.091 nan 8.150 nan 0.000 0.448 47 A N -1.251 121.585 122.820 0.027 0.000 2.435 47 A HA 0.697 5.016 4.320 -0.001 0.000 0.296 47 A C -2.947 174.638 177.584 0.001 0.000 1.147 47 A CA -1.999 50.047 52.037 0.015 0.000 0.775 47 A CB 0.295 19.292 19.000 -0.005 0.000 1.340 47 A HN 0.038 nan 8.150 nan 0.000 0.427 48 P HA 0.086 nan 4.420 nan 0.000 0.265 48 P C 0.606 177.876 177.300 -0.051 0.000 1.187 48 P CA 0.155 63.231 63.100 -0.040 0.000 0.766 48 P CB 0.317 31.983 31.700 -0.056 0.000 0.820 49 L N 0.774 121.958 121.223 -0.065 0.000 2.362 49 L HA 0.068 4.407 4.340 -0.001 0.000 0.219 49 L C 1.408 178.223 176.870 -0.091 0.000 1.134 49 L CA 1.363 56.153 54.840 -0.083 0.000 0.807 49 L CB -0.640 41.358 42.059 -0.102 0.000 0.927 49 L HN 0.670 nan 8.230 nan 0.000 0.447 50 G N -0.343 108.402 108.800 -0.090 0.000 2.392 50 G HA2 0.282 4.242 3.960 -0.001 0.000 0.260 50 G HA3 0.282 4.242 3.960 -0.001 0.000 0.260 50 G C -1.552 173.297 174.900 -0.085 0.000 1.226 50 G CA -0.762 44.286 45.100 -0.086 0.000 0.913 50 G HN 0.111 nan 8.290 nan 0.000 0.483 51 R N -0.555 119.896 120.500 -0.081 0.000 2.744 51 R HA 0.798 5.137 4.340 -0.001 0.000 0.279 51 R C -1.329 174.927 176.300 -0.075 0.000 0.977 51 R CA -0.904 55.156 56.100 -0.067 0.000 0.906 51 R CB 1.842 32.119 30.300 -0.038 0.000 1.197 51 R HN 0.453 nan 8.270 nan 0.000 0.463 52 L N 2.026 123.210 121.223 -0.066 0.000 2.334 52 L HA 0.555 4.894 4.340 -0.001 0.000 0.272 52 L C -2.021 174.892 176.870 0.071 0.000 1.020 52 L CA -2.520 52.294 54.840 -0.044 0.000 0.812 52 L CB 1.763 43.726 42.059 -0.160 0.000 1.264 52 L HN 0.467 nan 8.230 nan 0.000 0.439 53 P HA 0.075 nan 4.420 nan 0.000 0.269 53 P C -0.672 176.756 177.300 0.212 0.000 1.217 53 P CA -0.369 62.826 63.100 0.159 0.000 0.783 53 P CB 0.441 32.245 31.700 0.173 0.000 0.898 54 A N 1.164 124.056 122.820 0.119 0.000 2.520 54 A HA 0.518 4.838 4.320 -0.001 0.000 0.235 54 A C 0.722 178.327 177.584 0.034 0.000 1.065 54 A CA 1.082 53.174 52.037 0.091 0.000 0.764 54 A CB -0.849 18.176 19.000 0.040 0.000 1.002 54 A HN 0.773 nan 8.150 nan 0.000 0.502 55 G N 0.885 109.673 108.800 -0.020 0.000 2.321 55 G HA2 0.333 4.292 3.960 -0.001 0.000 0.298 55 G HA3 0.333 4.292 3.960 -0.001 0.000 0.298 55 G C -1.560 173.191 174.900 -0.248 0.000 1.385 55 G CA -0.968 43.976 45.100 -0.260 0.000 0.856 55 G HN 0.707 nan 8.290 nan 0.000 0.584 56 N N 0.597 119.117 118.700 -0.300 0.000 2.558 56 N HA 0.382 5.121 4.740 -0.001 0.000 0.242 56 N C -1.209 174.190 175.510 -0.184 0.000 0.979 56 N CA -0.166 52.804 53.050 -0.133 0.000 0.931 56 N CB 1.332 39.781 38.487 -0.064 0.000 1.122 56 N HN 0.384 nan 8.380 nan 0.000 0.508 57 Y N 0.727 121.065 120.300 0.062 0.000 2.299 57 Y HA 0.293 4.842 4.550 -0.001 0.000 0.326 57 Y C 1.073 177.029 175.900 0.094 0.000 1.164 57 Y CA -0.392 57.763 58.100 0.092 0.000 1.234 57 Y CB 1.357 39.911 38.460 0.157 0.000 1.219 57 Y HN 0.130 nan 8.280 nan 0.000 0.497 58 R N 4.144 124.792 120.500 0.246 0.000 2.360 58 R HA 0.592 4.931 4.340 -0.001 0.000 0.318 58 R C -1.640 174.874 176.300 0.356 0.000 0.950 58 R CA -0.334 55.920 56.100 0.258 0.000 0.837 58 R CB 0.539 30.947 30.300 0.179 0.000 1.165 58 R HN 0.766 nan 8.270 nan 0.000 0.458 59 I N 2.628 123.388 120.570 0.317 0.000 2.569 59 I HA 0.490 4.659 4.170 -0.001 0.000 0.296 59 I C -0.342 175.763 176.117 -0.020 0.000 1.028 59 I CA -1.023 60.400 61.300 0.205 0.000 1.082 59 I CB 2.192 40.308 38.000 0.193 0.000 1.264 59 I HN 0.606 nan 8.210 nan 0.000 0.429 60 A N 6.826 129.447 122.820 -0.332 0.000 2.337 60 A HA 0.856 5.175 4.320 -0.001 0.000 0.329 60 A C -0.795 176.726 177.584 -0.104 0.000 1.146 60 A CA -0.498 51.287 52.037 -0.420 0.000 0.800 60 A CB 0.982 19.428 19.000 -0.923 0.000 1.220 60 A HN 0.651 nan 8.150 nan 0.000 0.472 61 I N 2.362 122.944 120.570 0.020 0.000 2.418 61 I HA 0.301 4.471 4.170 -0.001 0.000 0.287 61 I C -0.870 175.321 176.117 0.122 0.000 1.008 61 I CA -0.788 60.556 61.300 0.073 0.000 1.104 61 I CB 2.041 40.093 38.000 0.086 0.000 1.264 61 I HN 0.288 nan 8.210 nan 0.000 0.438 62 V N 5.576 125.539 119.914 0.080 0.000 2.318 62 V HA 0.756 4.875 4.120 -0.001 0.000 0.271 62 V C 0.448 176.592 176.094 0.082 0.000 1.030 62 V CA -0.345 61.994 62.300 0.065 0.000 0.844 62 V CB 0.572 32.377 31.823 -0.031 0.000 1.015 62 V HN 1.060 nan 8.190 nan 0.000 0.460 63 G N 3.516 112.370 108.800 0.090 0.000 3.233 63 G HA2 0.192 4.151 3.960 -0.001 0.000 0.686 63 G HA3 0.192 4.151 3.960 -0.001 0.000 0.686 63 G C 0.056 174.982 174.900 0.042 0.000 1.153 63 G CA -0.500 44.638 45.100 0.062 0.000 0.853 63 G HN 1.191 nan 8.290 nan 0.000 0.582 64 G N 0.756 109.553 108.800 -0.005 0.000 4.125 64 G HA2 0.688 4.647 3.960 -0.001 0.000 0.301 64 G HA3 0.688 4.647 3.960 -0.001 0.000 0.301 64 G C 0.809 175.739 174.900 0.050 0.000 1.273 64 G CA 0.900 45.983 45.100 -0.029 0.000 1.095 64 G HN 1.264 nan 8.290 nan 0.000 0.582 65 G N -0.565 108.267 108.800 0.055 0.000 2.606 65 G HA2 0.492 4.451 3.960 -0.001 0.000 0.262 65 G HA3 0.492 4.451 3.960 -0.001 0.000 0.262 65 G C 1.367 176.288 174.900 0.034 0.000 1.394 65 G CA 0.290 45.419 45.100 0.049 0.000 1.044 65 G HN 0.367 nan 8.290 nan 0.000 0.553 66 A N -0.845 121.953 122.820 -0.037 0.000 1.908 66 A HA 0.034 4.353 4.320 -0.001 0.000 0.218 66 A C 2.550 180.166 177.584 0.053 0.000 1.181 66 A CA 2.561 54.559 52.037 -0.065 0.000 0.627 66 A CB -1.210 17.569 19.000 -0.369 0.000 0.818 66 A HN 1.044 nan 8.150 nan 0.000 0.445 67 G N -0.717 108.098 108.800 0.025 0.000 2.433 67 G HA2 0.017 3.976 3.960 -0.001 0.000 0.216 67 G HA3 0.017 3.976 3.960 -0.001 0.000 0.216 67 G C 1.548 176.509 174.900 0.101 0.000 1.186 67 G CA 1.262 46.415 45.100 0.089 0.000 0.779 67 G HN 0.733 nan 8.290 nan 0.000 0.543 68 G N 0.656 109.509 108.800 0.089 0.000 2.408 68 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.217 68 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.217 68 G C 1.619 176.579 174.900 0.099 0.000 1.150 68 G CA 0.800 45.957 45.100 0.095 0.000 0.776 68 G HN 0.322 nan 8.290 nan 0.000 0.542 69 I N 1.616 122.246 120.570 0.100 0.000 2.406 69 I HA 0.036 4.205 4.170 -0.001 0.000 0.249 69 I C 3.137 179.264 176.117 0.016 0.000 1.122 69 I CA 0.919 62.290 61.300 0.118 0.000 1.431 69 I CB -1.220 36.871 38.000 0.152 0.000 1.087 69 I HN 0.236 nan 8.210 nan 0.000 0.424 70 A N 1.058 123.832 122.820 -0.078 0.000 1.930 70 A HA -0.051 4.268 4.320 -0.001 0.000 0.217 70 A C 2.579 180.129 177.584 -0.057 0.000 1.175 70 A CA 1.714 53.565 52.037 -0.309 0.000 0.627 70 A CB -0.662 18.059 19.000 -0.465 0.000 0.815 70 A HN 0.377 nan 8.150 nan 0.000 0.443 71 A N -0.392 122.446 122.820 0.030 0.000 1.902 71 A HA -0.066 4.253 4.320 -0.001 0.000 0.217 71 A C 2.119 179.731 177.584 0.047 0.000 1.181 71 A CA 1.741 53.807 52.037 0.048 0.000 0.623 71 A CB -0.632 18.405 19.000 0.060 0.000 0.818 71 A HN 0.649 nan 8.150 nan 0.000 0.443 72 L N -1.654 119.611 121.223 0.070 0.000 2.042 72 L HA -0.166 4.174 4.340 -0.001 0.000 0.210 72 L C 2.310 179.212 176.870 0.052 0.000 1.076 72 L CA 2.385 57.267 54.840 0.070 0.000 0.749 72 L CB -0.836 41.300 42.059 0.129 0.000 0.893 72 L HN 0.539 nan 8.230 nan 0.000 0.432 73 Y N 0.164 120.433 120.300 -0.052 0.000 2.181 73 Y HA -0.207 4.342 4.550 -0.001 0.000 0.288 73 Y C 2.405 178.296 175.900 -0.015 0.000 1.146 73 Y CA 1.914 59.983 58.100 -0.052 0.000 1.164 73 Y CB -0.006 38.400 38.460 -0.091 0.000 0.982 73 Y HN 0.259 nan 8.280 nan 0.000 0.515 74 E N 0.390 120.650 120.200 0.100 0.000 2.153 74 E HA -0.170 4.179 4.350 -0.001 0.000 0.194 74 E C 2.297 178.839 176.600 -0.097 0.000 0.988 74 E CA 1.182 57.589 56.400 0.012 0.000 0.811 74 E CB -0.429 29.318 29.700 0.079 0.000 0.746 74 E HN 0.559 nan 8.360 nan 0.000 0.466 75 L N 0.084 121.256 121.223 -0.086 0.000 2.141 75 L HA -0.071 4.268 4.340 -0.001 0.000 0.209 75 L C 2.448 179.242 176.870 -0.127 0.000 1.094 75 L CA 1.137 55.913 54.840 -0.106 0.000 0.763 75 L CB -0.670 41.349 42.059 -0.067 0.000 0.908 75 L HN 0.176 nan 8.230 nan 0.000 0.437 76 G N -0.143 108.558 108.800 -0.164 0.000 2.418 76 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.217 76 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.217 76 G C 1.727 176.491 174.900 -0.226 0.000 1.158 76 G CA 0.267 45.247 45.100 -0.200 0.000 0.771 76 G HN 0.254 nan 8.290 nan 0.000 0.545 77 R N -0.178 120.143 120.500 -0.299 0.000 2.096 77 R HA 0.057 4.396 4.340 -0.001 0.000 0.235 77 R C 2.603 178.816 176.300 -0.146 0.000 1.127 77 R CA 0.810 56.769 56.100 -0.236 0.000 0.968 77 R CB -0.510 29.652 30.300 -0.230 0.000 0.861 77 R HN 0.345 nan 8.270 nan 0.000 0.440 78 L N 0.179 121.319 121.223 -0.138 0.000 2.027 78 L HA -0.126 4.213 4.340 -0.001 0.000 0.206 78 L C 2.768 179.580 176.870 -0.097 0.000 1.074 78 L CA 1.177 55.945 54.840 -0.120 0.000 0.745 78 L CB -0.721 41.248 42.059 -0.150 0.000 0.898 78 L HN 0.210 nan 8.230 nan 0.000 0.433 79 A N 0.352 123.116 122.820 -0.094 0.000 1.927 79 A HA -0.284 4.035 4.320 -0.001 0.000 0.220 79 A C 2.472 180.029 177.584 -0.045 0.000 1.185 79 A CA 2.046 54.051 52.037 -0.054 0.000 0.639 79 A CB -0.826 18.145 19.000 -0.050 0.000 0.820 79 A HN 0.444 nan 8.150 nan 0.000 0.451 80 A N -0.695 122.085 122.820 -0.066 0.000 2.076 80 A HA -0.053 4.266 4.320 -0.001 0.000 0.220 80 A C 2.185 179.746 177.584 -0.039 0.000 1.160 80 A CA 2.256 54.260 52.037 -0.055 0.000 0.653 80 A CB -1.051 17.906 19.000 -0.073 0.000 0.801 80 A HN 0.898 nan 8.150 nan 0.000 0.455 81 T N -2.927 111.603 114.554 -0.040 0.000 3.086 81 T HA 0.435 4.784 4.350 -0.001 0.000 0.250 81 T C 0.488 175.181 174.700 -0.012 0.000 1.074 81 T CA -0.306 61.777 62.100 -0.029 0.000 0.988 81 T CB -0.428 68.418 68.868 -0.038 0.000 0.988 81 T HN 0.202 nan 8.240 nan 0.000 0.530 82 L N 2.878 124.100 121.223 -0.002 0.000 2.452 82 L HA 0.385 4.725 4.340 -0.001 0.000 0.267 82 L C -1.736 175.147 176.870 0.021 0.000 1.188 82 L CA -2.231 52.623 54.840 0.025 0.000 0.821 82 L CB 0.460 42.551 42.059 0.053 0.000 1.102 82 L HN 0.107 nan 8.230 nan 0.000 0.470 83 P HA 0.148 nan 4.420 nan 0.000 0.276 83 P C -0.986 176.324 177.300 0.017 0.000 1.261 83 P CA -0.608 62.503 63.100 0.018 0.000 0.800 83 P CB 0.648 32.360 31.700 0.019 0.000 1.066 84 A N 0.159 122.985 122.820 0.010 0.000 2.565 84 A HA 0.375 4.694 4.320 -0.001 0.000 0.237 84 A C 1.464 179.054 177.584 0.009 0.000 1.053 84 A CA 1.018 53.060 52.037 0.008 0.000 0.755 84 A CB -1.612 17.391 19.000 0.004 0.000 0.980 84 A HN 0.924 nan 8.150 nan 0.000 0.506 85 G N 1.214 110.020 108.800 0.009 0.000 2.234 85 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.235 85 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.235 85 G C 0.508 175.415 174.900 0.011 0.000 0.997 85 G CA 0.440 45.544 45.100 0.006 0.000 0.623 85 G HN 1.252 nan 8.290 nan 0.000 0.514 86 S N -0.149 115.566 115.700 0.024 0.000 2.681 86 S HA 0.897 5.366 4.470 -0.001 0.000 0.299 86 S C 0.456 175.095 174.600 0.065 0.000 1.113 86 S CA 0.402 58.630 58.200 0.047 0.000 1.013 86 S CB 1.922 65.165 63.200 0.072 0.000 1.076 86 S HN 1.838 nan 8.310 nan 0.000 0.534 87 G N 0.223 109.090 108.800 0.111 0.000 2.320 87 G HA2 0.481 4.440 3.960 -0.001 0.000 0.296 87 G HA3 0.481 4.440 3.960 -0.001 0.000 0.296 87 G C -2.162 172.849 174.900 0.186 0.000 1.306 87 G CA -0.759 44.407 45.100 0.111 0.000 0.836 87 G HN 0.616 nan 8.290 nan 0.000 0.517 88 I N 0.623 121.274 120.570 0.135 0.000 2.499 88 I HA 0.339 4.508 4.170 -0.001 0.000 0.288 88 I C -1.364 174.820 176.117 0.112 0.000 1.048 88 I CA -0.571 60.827 61.300 0.163 0.000 1.062 88 I CB 2.317 40.375 38.000 0.096 0.000 1.238 88 I HN 0.549 nan 8.210 nan 0.000 0.426 89 D N 5.569 126.050 120.400 0.135 0.000 2.233 89 D HA 0.515 5.154 4.640 -0.001 0.000 0.240 89 D C -1.159 175.221 176.300 0.133 0.000 1.074 89 D CA -0.239 53.827 54.000 0.110 0.000 0.838 89 D CB 1.609 42.473 40.800 0.107 0.000 1.124 89 D HN 0.127 nan 8.370 nan 0.000 0.475 90 V N 4.402 124.376 119.914 0.100 0.000 2.459 90 V HA 0.341 4.460 4.120 -0.001 0.000 0.295 90 V C -0.346 175.799 176.094 0.086 0.000 1.029 90 V CA -0.843 61.515 62.300 0.096 0.000 0.874 90 V CB 1.656 33.523 31.823 0.072 0.000 0.985 90 V HN 0.565 nan 8.190 nan 0.000 0.438 91 Q N 4.146 123.995 119.800 0.082 0.000 2.347 91 Q HA 0.521 4.860 4.340 -0.001 0.000 0.262 91 Q C -0.749 175.250 176.000 -0.002 0.000 0.980 91 Q CA -0.284 55.529 55.803 0.017 0.000 0.867 91 Q CB 2.799 31.579 28.738 0.070 0.000 1.242 91 Q HN 0.781 nan 8.270 nan 0.000 0.453 92 I N 2.742 123.301 120.570 -0.019 0.000 2.339 92 I HA 0.277 4.446 4.170 -0.001 0.000 0.290 92 I C -1.226 174.885 176.117 -0.010 0.000 0.994 92 I CA -0.716 60.610 61.300 0.043 0.000 1.191 92 I CB 0.586 38.617 38.000 0.052 0.000 1.343 92 I HN 0.451 nan 8.210 nan 0.000 0.458 93 Y N 5.777 126.071 120.300 -0.010 0.000 2.320 93 Y HA 0.507 5.056 4.550 -0.001 0.000 0.334 93 Y C -0.030 175.873 175.900 0.006 0.000 1.055 93 Y CA -0.368 57.739 58.100 0.013 0.000 1.143 93 Y CB 1.292 39.764 38.460 0.019 0.000 1.193 93 Y HN 0.484 nan 8.280 nan 0.000 0.477 94 E N 1.847 122.151 120.200 0.174 0.000 2.361 94 E HA 0.499 4.848 4.350 -0.001 0.000 0.270 94 E C -0.522 176.212 176.600 0.224 0.000 0.911 94 E CA -0.345 56.124 56.400 0.116 0.000 0.818 94 E CB 1.169 30.809 29.700 -0.101 0.000 1.332 94 E HN 0.628 nan 8.360 nan 0.000 0.402 95 A N 3.769 126.682 122.820 0.156 0.000 2.066 95 A HA -0.017 4.303 4.320 -0.001 0.000 0.218 95 A C 0.886 178.537 177.584 0.112 0.000 1.157 95 A CA 0.853 52.965 52.037 0.126 0.000 0.670 95 A CB -0.275 18.786 19.000 0.103 0.000 0.804 95 A HN 0.552 nan 8.150 nan 0.000 0.453 96 D N 0.148 120.624 120.400 0.126 0.000 2.339 96 D HA 0.157 4.796 4.640 -0.001 0.000 0.256 96 D C -1.440 174.949 176.300 0.148 0.000 1.214 96 D CA -2.160 51.900 54.000 0.100 0.000 0.877 96 D CB 1.134 41.975 40.800 0.068 0.000 1.111 96 D HN 0.107 nan 8.370 nan 0.000 0.478 97 P HA -0.059 nan 4.420 nan 0.000 0.226 97 P C 0.084 177.447 177.300 0.105 0.000 1.153 97 P CA 0.652 63.789 63.100 0.063 0.000 0.777 97 P CB 0.459 32.163 31.700 0.007 0.000 0.794 98 D N -0.547 119.905 120.400 0.086 0.000 2.325 98 D HA 0.030 4.669 4.640 -0.001 0.000 0.225 98 D C 0.654 176.985 176.300 0.052 0.000 1.096 98 D CA 0.231 54.270 54.000 0.066 0.000 0.844 98 D CB -0.002 40.831 40.800 0.053 0.000 0.925 98 D HN 0.104 nan 8.370 nan 0.000 0.513 99 S N 0.372 116.090 115.700 0.029 0.000 2.568 99 S HA -0.013 4.456 4.470 -0.001 0.000 0.282 99 S C 1.425 175.919 174.600 -0.178 0.000 1.338 99 S CA -0.674 57.452 58.200 -0.122 0.000 1.045 99 S CB 0.327 63.302 63.200 -0.376 0.000 0.873 99 S HN 0.241 nan 8.310 nan 0.000 0.516 100 F N 4.093 123.953 119.950 -0.150 0.000 2.202 100 F HA -0.050 4.476 4.527 -0.001 0.000 0.301 100 F C 1.409 177.058 175.800 -0.251 0.000 1.082 100 F CA 1.102 59.009 58.000 -0.154 0.000 1.313 100 F CB -0.627 38.292 39.000 -0.134 0.000 1.024 100 F HN 0.508 nan 8.300 nan 0.000 0.495 101 L N -0.066 120.313 121.223 -1.406 0.000 2.265 101 L HA -0.192 4.147 4.340 -0.001 0.000 0.215 101 L C 1.679 178.155 176.870 -0.657 0.000 1.117 101 L CA 1.500 55.597 54.840 -1.238 0.000 0.782 101 L CB -0.897 40.336 42.059 -1.376 0.000 0.914 101 L HN 0.349 nan 8.230 nan 0.000 0.441 102 H N -2.558 116.343 119.070 -0.281 0.000 2.586 102 H HA 0.076 4.632 4.556 -0.001 0.000 0.273 102 H C 0.075 175.352 175.328 -0.084 0.000 0.997 102 H CA -0.568 55.388 56.048 -0.154 0.000 1.177 102 H CB 0.286 29.973 29.762 -0.126 0.000 1.471 102 H HN 0.127 nan 8.280 nan 0.000 0.538 103 D N 1.605 122.010 120.400 0.008 0.000 2.371 103 D HA 0.003 4.642 4.640 -0.001 0.000 0.256 103 D C 0.298 176.622 176.300 0.041 0.000 1.193 103 D CA -0.387 53.636 54.000 0.038 0.000 0.881 103 D CB 0.667 41.500 40.800 0.055 0.000 1.143 103 D HN 0.026 nan 8.370 nan 0.000 0.473 110 I N -0.224 120.356 120.570 0.017 0.000 2.934 110 I HA 0.508 4.677 4.170 -0.001 0.000 0.306 110 I C -0.635 175.494 176.117 0.020 0.000 1.110 110 I CA -0.951 60.359 61.300 0.016 0.000 1.019 110 I CB 2.004 40.010 38.000 0.010 0.000 1.227 110 I HN 0.718 nan 8.210 nan 0.000 0.434 111 K N 4.045 124.458 120.400 0.022 0.000 2.447 111 K HA 0.196 4.515 4.320 -0.001 0.000 0.281 111 K C -0.852 175.761 176.600 0.021 0.000 1.031 111 K CA -0.237 56.066 56.287 0.027 0.000 1.019 111 K CB 0.734 33.251 32.500 0.028 0.000 0.918 111 K HN 0.315 nan 8.250 nan 0.000 0.476 112 V N 5.397 125.327 119.914 0.028 0.000 2.508 112 V HA 0.070 4.189 4.120 -0.001 0.000 0.281 112 V C 0.642 176.747 176.094 0.018 0.000 1.041 112 V CA -0.286 62.028 62.300 0.023 0.000 1.016 112 V CB 0.522 32.364 31.823 0.031 0.000 0.984 112 V HN 0.634 nan 8.190 nan 0.000 0.478 113 R N 3.093 123.594 120.500 0.001 0.000 2.532 113 R HA 0.548 4.887 4.340 -0.001 0.000 0.272 113 R C 1.233 177.521 176.300 -0.019 0.000 1.032 113 R CA 0.085 56.176 56.100 -0.015 0.000 1.089 113 R CB 0.632 30.909 30.300 -0.039 0.000 1.098 113 R HN 1.057 nan 8.270 nan 0.000 0.526 114 G N 0.357 109.138 108.800 -0.032 0.000 2.143 114 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.249 114 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.249 114 G C 0.079 174.977 174.900 -0.002 0.000 0.981 114 G CA 0.041 45.117 45.100 -0.040 0.000 0.665 114 G HN 0.365 nan 8.290 nan 0.000 0.528 115 L N -0.245 120.994 121.223 0.026 0.000 2.464 115 L HA 0.520 4.859 4.340 -0.001 0.000 0.264 115 L C 0.904 177.819 176.870 0.076 0.000 1.199 115 L CA -0.080 54.798 54.840 0.065 0.000 0.818 115 L CB 0.598 42.721 42.059 0.107 0.000 1.102 115 L HN 0.087 nan 8.230 nan 0.000 0.473 116 K N 0.905 121.367 120.400 0.104 0.000 2.267 116 K HA 0.712 5.031 4.320 -0.001 0.000 0.246 116 K C -0.919 175.801 176.600 0.200 0.000 0.954 116 K CA -0.765 55.584 56.287 0.105 0.000 0.824 116 K CB 2.052 34.596 32.500 0.073 0.000 1.167 116 K HN 0.588 nan 8.250 nan 0.000 0.431 117 A N 2.009 124.930 122.820 0.168 0.000 2.938 117 A HA 0.581 4.900 4.320 -0.001 0.000 0.344 117 A C 0.605 178.245 177.584 0.094 0.000 1.142 117 A CA 0.094 52.259 52.037 0.214 0.000 0.841 117 A CB -0.373 18.715 19.000 0.147 0.000 1.083 117 A HN 0.915 nan 8.150 nan 0.000 0.479 118 G N 1.936 110.779 108.800 0.071 0.000 2.622 118 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.307 118 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.307 118 G C 0.823 175.753 174.900 0.050 0.000 1.226 118 G CA 0.708 45.836 45.100 0.048 0.000 0.997 118 G HN 0.777 nan 8.290 nan 0.000 0.551 119 R N -0.111 120.411 120.500 0.037 0.000 2.346 119 R HA 0.330 4.669 4.340 -0.001 0.000 0.225 119 R C -0.037 176.285 176.300 0.036 0.000 0.987 119 R CA 0.143 56.270 56.100 0.046 0.000 1.106 119 R CB 0.052 30.376 30.300 0.041 0.000 1.090 119 R HN 0.216 nan 8.270 nan 0.000 0.502 120 V N 1.306 121.241 119.914 0.034 0.000 2.328 120 V HA 0.324 4.443 4.120 -0.001 0.000 0.278 120 V C -0.203 175.914 176.094 0.038 0.000 1.021 120 V CA -0.442 61.884 62.300 0.043 0.000 0.838 120 V CB 1.196 33.043 31.823 0.041 0.000 0.999 120 V HN 0.325 nan 8.190 nan 0.000 0.447 121 S N 3.775 119.484 115.700 0.016 0.000 2.578 121 S HA 0.882 5.351 4.470 -0.001 0.000 0.272 121 S C -0.944 173.616 174.600 -0.067 0.000 1.145 121 S CA -0.240 57.953 58.200 -0.010 0.000 0.835 121 S CB 1.827 65.026 63.200 -0.001 0.000 1.104 121 S HN 1.409 nan 8.310 nan 0.000 0.458 122 A N 0.874 123.639 122.820 -0.092 0.000 2.374 122 A HA 0.959 5.278 4.320 -0.001 0.000 0.317 122 A C 0.112 177.566 177.584 -0.217 0.000 1.094 122 A CA -0.498 51.441 52.037 -0.163 0.000 0.765 122 A CB 1.281 20.193 19.000 -0.146 0.000 1.268 122 A HN 2.011 nan 8.150 nan 0.000 0.438 123 A N 1.729 124.349 122.820 -0.333 0.000 2.328 123 A HA 0.625 4.944 4.320 -0.001 0.000 0.284 123 A C -0.420 176.881 177.584 -0.472 0.000 1.160 123 A CA -0.248 51.510 52.037 -0.465 0.000 0.818 123 A CB -0.064 18.384 19.000 -0.921 0.000 1.087 123 A HN 0.795 nan 8.150 nan 0.000 0.504 124 L N 3.493 124.480 121.223 -0.394 0.000 2.265 124 L HA 0.477 4.816 4.340 -0.001 0.000 0.289 124 L C -0.900 175.720 176.870 -0.417 0.000 1.033 124 L CA -0.615 54.013 54.840 -0.353 0.000 0.814 124 L CB 1.367 43.287 42.059 -0.231 0.000 1.203 124 L HN 0.412 nan 8.230 nan 0.000 0.423 125 V N 2.218 121.878 119.914 -0.423 0.000 2.531 125 V HA 0.273 4.392 4.120 -0.001 0.000 0.301 125 V C -0.153 175.801 176.094 -0.232 0.000 1.034 125 V CA -0.782 61.298 62.300 -0.366 0.000 0.865 125 V CB 1.526 33.191 31.823 -0.263 0.000 0.995 125 V HN 0.662 nan 8.190 nan 0.000 0.424 126 H N 3.660 122.664 119.070 -0.110 0.000 3.001 126 H HA 0.046 4.601 4.556 -0.001 0.000 0.334 126 H C 0.883 176.152 175.328 -0.098 0.000 1.034 126 H CA 0.245 56.237 56.048 -0.094 0.000 1.420 126 H CB 0.731 30.457 29.762 -0.059 0.000 1.405 126 H HN 0.612 nan 8.280 nan 0.000 0.593 127 N N 2.003 120.713 118.700 0.017 0.000 2.210 127 N HA 0.010 4.749 4.740 -0.001 0.000 0.203 127 N C 1.429 176.899 175.510 -0.067 0.000 1.175 127 N CA 0.745 53.753 53.050 -0.070 0.000 0.894 127 N CB 0.940 39.342 38.487 -0.142 0.000 1.041 127 N HN 0.945 nan 8.380 nan 0.000 0.506 128 G N 1.082 109.855 108.800 -0.045 0.000 2.579 128 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.222 128 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.222 128 G C -0.016 174.852 174.900 -0.053 0.000 1.201 128 G CA 0.413 45.483 45.100 -0.050 0.000 0.710 128 G HN 0.548 nan 8.290 nan 0.000 0.516 129 D N 3.027 123.391 120.400 -0.060 0.000 2.346 129 D HA 0.420 5.059 4.640 -0.001 0.000 0.260 129 D C -0.086 176.190 176.300 -0.040 0.000 1.252 129 D CA -1.315 52.659 54.000 -0.043 0.000 0.895 129 D CB 1.129 41.901 40.800 -0.048 0.000 1.097 129 D HN 0.242 nan 8.370 nan 0.000 0.489 130 P HA -0.039 nan 4.420 nan 0.000 0.230 130 P C 0.691 177.976 177.300 -0.024 0.000 1.158 130 P CA 0.380 63.461 63.100 -0.032 0.000 0.769 130 P CB 0.224 31.907 31.700 -0.028 0.000 0.807 131 A N -0.091 122.719 122.820 -0.016 0.000 2.208 131 A HA 0.152 4.471 4.320 -0.001 0.000 0.209 131 A C 1.161 178.737 177.584 -0.013 0.000 1.161 131 A CA 0.385 52.416 52.037 -0.009 0.000 0.782 131 A CB -0.500 18.501 19.000 0.002 0.000 0.816 131 A HN 0.388 nan 8.150 nan 0.000 0.477 132 S N -1.715 113.970 115.700 -0.025 0.000 2.638 132 S HA 0.705 5.174 4.470 -0.001 0.000 0.302 132 S C 0.515 175.088 174.600 -0.046 0.000 1.096 132 S CA -0.272 57.907 58.200 -0.035 0.000 0.953 132 S CB 1.157 64.329 63.200 -0.045 0.000 1.107 132 S HN 0.572 nan 8.310 nan 0.000 0.503 133 G N 0.233 109.003 108.800 -0.051 0.000 2.583 133 G HA2 0.342 4.301 3.960 -0.001 0.000 0.275 133 G HA3 0.342 4.301 3.960 -0.001 0.000 0.275 133 G C -0.536 174.317 174.900 -0.078 0.000 1.342 133 G CA -0.459 44.607 45.100 -0.057 0.000 1.030 133 G HN 0.726 nan 8.290 nan 0.000 0.520 134 D N -0.553 119.801 120.400 -0.076 0.000 2.378 134 D HA 0.231 4.871 4.640 -0.001 0.000 0.238 134 D C 0.711 176.885 176.300 -0.209 0.000 1.180 134 D CA 0.582 54.516 54.000 -0.110 0.000 0.895 134 D CB 0.514 41.256 40.800 -0.096 0.000 1.192 134 D HN 0.118 nan 8.370 nan 0.000 0.438 135 T N 1.961 116.332 114.554 -0.304 0.000 2.884 135 T HA 0.268 4.617 4.350 -0.001 0.000 0.298 135 T C 0.303 174.618 174.700 -0.641 0.000 0.998 135 T CA -0.389 61.419 62.100 -0.488 0.000 1.124 135 T CB 0.427 68.929 68.868 -0.610 0.000 0.931 135 T HN 0.098 nan 8.240 nan 0.000 0.531 136 I N 3.985 124.181 120.570 -0.623 0.000 2.362 136 I HA 0.330 4.499 4.170 -0.001 0.000 0.289 136 I C -0.679 175.060 176.117 -0.630 0.000 0.994 136 I CA -0.752 60.225 61.300 -0.538 0.000 1.158 136 I CB 0.743 38.570 38.000 -0.288 0.000 1.315 136 I HN 0.704 nan 8.210 nan 0.000 0.451 137 Y N 4.011 123.996 120.300 -0.526 0.000 2.326 137 Y HA 0.285 4.834 4.550 -0.001 0.000 0.331 137 Y C 0.594 176.124 175.900 -0.616 0.000 0.962 137 Y CA -1.093 56.503 58.100 -0.840 0.000 1.167 137 Y CB 1.846 39.524 38.460 -1.304 0.000 1.148 137 Y HN 0.437 nan 8.280 nan 0.000 0.463 138 E N 2.907 122.958 120.200 -0.248 0.000 2.366 138 E HA 0.037 4.386 4.350 -0.001 0.000 0.266 138 E C 0.704 177.256 176.600 -0.081 0.000 1.015 138 E CA 0.122 56.455 56.400 -0.111 0.000 0.906 138 E CB 1.777 31.476 29.700 -0.003 0.000 0.979 138 E HN 0.675 nan 8.360 nan 0.000 0.443 139 V N 0.674 120.496 119.914 -0.154 0.000 3.661 139 V HA 0.325 4.444 4.120 -0.001 0.000 0.271 139 V C 0.840 176.872 176.094 -0.102 0.000 1.315 139 V CA 0.806 62.964 62.300 -0.236 0.000 1.072 139 V CB 0.558 31.890 31.823 -0.817 0.000 0.830 139 V HN 0.498 nan 8.190 nan 0.000 0.443 140 G N 0.113 108.888 108.800 -0.042 0.000 3.194 140 G HA2 0.614 4.574 3.960 -0.001 0.000 0.160 140 G HA3 0.614 4.574 3.960 -0.001 0.000 0.160 140 G C 0.237 175.144 174.900 0.012 0.000 1.267 140 G CA -0.338 44.771 45.100 0.015 0.000 0.962 140 G HN 0.755 nan 8.290 nan 0.000 0.612 141 A N -0.370 122.470 122.820 0.034 0.000 2.566 141 A HA 0.413 4.732 4.320 -0.001 0.000 0.245 141 A C 0.819 178.409 177.584 0.009 0.000 1.056 141 A CA 1.151 53.217 52.037 0.050 0.000 0.757 141 A CB 0.180 19.307 19.000 0.213 0.000 0.979 141 A HN 0.747 nan 8.150 nan 0.000 0.508 142 M N 2.335 121.808 119.600 -0.212 0.000 2.724 142 M HA 0.229 4.708 4.480 -0.001 0.000 0.231 142 M C 0.492 176.424 176.300 -0.613 0.000 1.568 142 M CA 0.276 55.431 55.300 -0.241 0.000 1.153 142 M CB 0.460 32.982 32.600 -0.130 0.000 1.345 142 M HN 0.821 nan 8.290 nan 0.000 0.555 143 R N 0.425 120.332 120.500 -0.988 0.000 2.707 143 R HA 0.412 4.751 4.340 -0.001 0.000 0.272 143 R C -2.306 173.403 176.300 -0.985 0.000 1.011 143 R CA -0.413 55.066 56.100 -1.035 0.000 0.893 143 R CB 0.556 30.309 30.300 -0.912 0.000 1.233 143 R HN 0.109 nan 8.270 nan 0.000 0.464 144 F N 0.956 120.970 119.950 0.108 0.000 2.539 144 F HA 0.482 5.008 4.527 -0.001 0.000 0.328 144 F C -2.204 173.635 175.800 0.064 0.000 1.148 144 F CA -2.538 55.493 58.000 0.051 0.000 0.940 144 F CB 2.145 41.003 39.000 -0.237 0.000 1.194 144 F HN 0.276 nan 8.300 nan 0.000 0.438 145 P HA 0.009 nan 4.420 nan 0.000 0.267 145 P C 0.902 178.154 177.300 -0.081 0.000 1.200 145 P CA 0.156 62.809 63.100 -0.744 0.000 0.772 145 P CB 0.884 31.494 31.700 -1.816 0.000 0.855 146 E N 1.768 121.924 120.200 -0.074 0.000 2.118 146 E HA -0.217 4.132 4.350 -0.001 0.000 0.195 146 E C 1.411 178.021 176.600 0.017 0.000 0.992 146 E CA 0.993 57.460 56.400 0.113 0.000 0.804 146 E CB -0.206 29.576 29.700 0.135 0.000 0.741 146 E HN 0.292 nan 8.360 nan 0.000 0.458 147 I N 0.456 120.893 120.570 -0.221 0.000 3.428 147 I HA 0.038 4.208 4.170 -0.001 0.000 0.286 147 I C 0.520 176.626 176.117 -0.019 0.000 1.287 147 I CA 0.216 61.381 61.300 -0.224 0.000 1.396 147 I CB -0.093 37.596 38.000 -0.519 0.000 1.062 147 I HN -0.003 nan 8.210 nan 0.000 0.471 148 A N 0.455 123.315 122.820 0.067 0.000 3.030 148 A HA 0.425 4.745 4.320 -0.001 0.000 0.273 148 A C 1.867 179.714 177.584 0.438 0.000 1.841 148 A CA 0.441 52.699 52.037 0.370 0.000 1.479 148 A CB -1.442 17.694 19.000 0.226 0.000 1.048 148 A HN 0.478 nan 8.150 nan 0.000 0.612 149 G N 0.834 109.893 108.800 0.433 0.000 2.440 149 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.218 149 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.218 149 G C 1.299 176.389 174.900 0.316 0.000 1.154 149 G CA 1.273 46.594 45.100 0.367 0.000 0.767 149 G HN 0.628 nan 8.290 nan 0.000 0.552 150 L N 0.752 122.152 121.223 0.294 0.000 2.109 150 L HA 0.083 4.423 4.340 -0.001 0.000 0.207 150 L C 2.955 179.988 176.870 0.272 0.000 1.086 150 L CA 2.208 57.170 54.840 0.203 0.000 0.760 150 L CB -0.839 41.377 42.059 0.261 0.000 0.910 150 L HN 0.173 nan 8.230 nan 0.000 0.437 151 T N -1.347 113.441 114.554 0.389 0.000 2.684 151 T HA -0.246 4.103 4.350 -0.001 0.000 0.267 151 T C 1.459 176.216 174.700 0.094 0.000 1.036 151 T CA 2.207 64.532 62.100 0.376 0.000 1.148 151 T CB -0.540 68.380 68.868 0.088 0.000 0.863 151 T HN 0.493 nan 8.240 nan 0.000 0.436 152 W N 0.719 122.129 121.300 0.183 0.000 2.436 152 W HA -0.028 4.631 4.660 -0.001 0.000 0.284 152 W C 2.474 179.004 176.519 0.019 0.000 1.225 152 W CA 0.481 57.855 57.345 0.050 0.000 1.271 152 W CB -0.401 29.070 29.460 0.019 0.000 1.114 152 W HN 0.414 nan 8.180 nan 0.000 0.559 153 H N -0.571 118.569 119.070 0.116 0.000 2.289 153 H HA -0.255 4.300 4.556 -0.001 0.000 0.296 153 H C 1.696 176.904 175.328 -0.199 0.000 1.091 153 H CA 2.334 58.322 56.048 -0.101 0.000 1.274 153 H CB -0.599 29.007 29.762 -0.259 0.000 1.364 153 H HN 0.132 nan 8.280 nan 0.000 0.490 154 Y N 0.349 120.607 120.300 -0.071 0.000 2.314 154 Y HA 0.003 4.552 4.550 -0.001 0.000 0.293 154 Y C 2.931 178.798 175.900 -0.055 0.000 1.129 154 Y CA 0.872 58.823 58.100 -0.248 0.000 1.201 154 Y CB -0.691 37.458 38.460 -0.519 0.000 0.999 154 Y HN 0.331 nan 8.280 nan 0.000 0.541 155 A N -1.202 121.682 122.820 0.108 0.000 1.933 155 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 155 A C 2.526 180.133 177.584 0.038 0.000 1.175 155 A CA 1.822 53.781 52.037 -0.130 0.000 0.628 155 A CB -1.006 17.866 19.000 -0.214 0.000 0.814 155 A HN 0.364 nan 8.150 nan 0.000 0.444 156 S N -0.376 115.334 115.700 0.017 0.000 2.368 156 S HA -0.029 4.440 4.470 -0.001 0.000 0.224 156 S C 2.214 176.764 174.600 -0.084 0.000 1.029 156 S CA 1.491 59.680 58.200 -0.018 0.000 0.988 156 S CB -0.488 62.675 63.200 -0.061 0.000 0.838 156 S HN 0.822 nan 8.310 nan 0.000 0.462 157 A N 1.103 123.816 122.820 -0.177 0.000 1.940 157 A HA 0.082 4.401 4.320 -0.001 0.000 0.219 157 A C 2.371 179.862 177.584 -0.155 0.000 1.176 157 A CA 2.042 53.979 52.037 -0.167 0.000 0.631 157 A CB -1.179 17.622 19.000 -0.332 0.000 0.814 157 A HN 0.750 nan 8.150 nan 0.000 0.446 158 A N -2.413 120.272 122.820 -0.225 0.000 1.935 158 A HA 0.344 4.663 4.320 -0.001 0.000 0.214 158 A C 1.525 178.741 177.584 -0.614 0.000 1.178 158 A CA 1.284 53.044 52.037 -0.462 0.000 0.640 158 A CB -0.217 18.412 19.000 -0.619 0.000 0.825 158 A HN 0.489 nan 8.150 nan 0.000 0.447 159 F N -1.504 118.425 119.950 -0.036 0.000 2.831 159 F HA 0.449 4.975 4.527 -0.001 0.000 0.334 159 F C 1.160 176.944 175.800 -0.027 0.000 1.071 159 F CA 0.094 58.074 58.000 -0.033 0.000 1.172 159 F CB 0.249 39.213 39.000 -0.059 0.000 1.054 159 F HN 0.378 nan 8.300 nan 0.000 0.572 160 G N 1.064 109.930 108.800 0.110 0.000 2.716 160 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.686 160 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.686 160 G C -0.004 174.929 174.900 0.055 0.000 1.337 160 G CA -0.274 44.863 45.100 0.061 0.000 0.829 160 G HN 0.076 nan 8.290 nan 0.000 0.599 161 D N 0.689 121.098 120.400 0.016 0.000 2.221 161 D HA 0.006 4.646 4.640 -0.001 0.000 0.204 161 D C 2.636 178.922 176.300 -0.023 0.000 0.982 161 D CA 2.048 56.043 54.000 -0.009 0.000 0.857 161 D CB -0.238 40.548 40.800 -0.023 0.000 0.934 161 D HN 0.950 nan 8.370 nan 0.000 0.475 162 A N 0.335 123.150 122.820 -0.009 0.000 2.119 162 A HA 0.297 4.616 4.320 -0.001 0.000 0.216 162 A C 1.322 178.893 177.584 -0.022 0.000 1.152 162 A CA 0.610 52.635 52.037 -0.019 0.000 0.708 162 A CB -0.312 18.683 19.000 -0.008 0.000 0.805 162 A HN 0.189 nan 8.150 nan 0.000 0.460 163 A N 1.550 124.368 122.820 -0.004 0.000 2.540 163 A HA 0.464 4.783 4.320 -0.001 0.000 0.239 163 A C -2.233 175.316 177.584 -0.059 0.000 1.061 163 A CA -0.878 51.147 52.037 -0.019 0.000 0.758 163 A CB -0.229 18.775 19.000 0.006 0.000 0.991 163 A HN 0.316 nan 8.150 nan 0.000 0.502 164 P HA 0.453 nan 4.420 nan 0.000 0.278 164 P C -0.545 176.725 177.300 -0.051 0.000 1.238 164 P CA 0.032 63.098 63.100 -0.056 0.000 0.794 164 P CB 0.880 32.560 31.700 -0.034 0.000 0.955 165 I N -0.983 119.565 120.570 -0.037 0.000 2.892 165 I HA 0.682 4.851 4.170 -0.001 0.000 0.306 165 I C -0.718 175.478 176.117 0.132 0.000 1.078 165 I CA -1.310 60.020 61.300 0.050 0.000 1.032 165 I CB 2.588 40.586 38.000 -0.002 0.000 1.229 165 I HN -0.025 nan 8.210 nan 0.000 0.435 166 K N 3.159 123.705 120.400 0.243 0.000 2.328 166 K HA 0.570 4.890 4.320 -0.001 0.000 0.246 166 K C -0.914 175.891 176.600 0.341 0.000 0.955 166 K CA -0.869 55.564 56.287 0.244 0.000 0.817 166 K CB 2.821 35.416 32.500 0.158 0.000 1.208 166 K HN 0.544 nan 8.250 nan 0.000 0.432 167 V N 2.070 122.113 119.914 0.216 0.000 2.686 167 V HA 0.182 4.302 4.120 -0.001 0.000 0.295 167 V C 0.028 176.157 176.094 0.058 0.000 1.055 167 V CA -0.450 61.849 62.300 -0.002 0.000 1.050 167 V CB 0.203 31.990 31.823 -0.059 0.000 0.984 167 V HN 0.553 nan 8.190 nan 0.000 0.482 168 F N 6.903 126.781 119.950 -0.121 0.000 2.405 168 F HA 0.492 5.018 4.527 -0.001 0.000 0.355 168 F C -1.727 174.056 175.800 -0.027 0.000 1.121 168 F CA -2.579 55.410 58.000 -0.019 0.000 1.112 168 F CB 1.629 40.631 39.000 0.003 0.000 1.126 168 F HN 0.344 nan 8.300 nan 0.000 0.481 169 P HA 0.070 nan 4.420 nan 0.000 0.225 169 P C -0.929 176.198 177.300 -0.287 0.000 1.813 169 P CA 0.017 62.960 63.100 -0.261 0.000 1.013 169 P CB -0.415 31.153 31.700 -0.220 0.000 1.961 170 N N 2.100 120.715 118.700 -0.142 0.000 2.344 170 N HA 0.051 4.791 4.740 -0.001 0.000 0.236 170 N C -2.221 173.132 175.510 -0.262 0.000 1.279 170 N CA -1.037 51.893 53.050 -0.201 0.000 0.882 170 N CB -0.195 38.296 38.487 0.007 0.000 1.110 170 N HN 0.197 nan 8.380 nan 0.000 0.436 171 P HA -0.035 nan 4.420 nan 0.000 0.265 171 P C 0.759 177.972 177.300 -0.145 0.000 1.187 171 P CA 0.826 63.793 63.100 -0.221 0.000 0.766 171 P CB 0.437 32.028 31.700 -0.181 0.000 0.820 172 G N 2.549 111.238 108.800 -0.184 0.000 2.347 172 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.247 172 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.247 172 G C 1.269 176.145 174.900 -0.039 0.000 1.037 172 G CA 0.153 45.199 45.100 -0.089 0.000 0.622 172 G HN 0.479 nan 8.290 nan 0.000 0.521 173 K N 0.474 120.843 120.400 -0.051 0.000 2.228 173 K HA 0.273 4.593 4.320 -0.001 0.000 0.202 173 K C 1.437 178.010 176.600 -0.045 0.000 1.051 173 K CA 1.475 57.748 56.287 -0.024 0.000 0.960 173 K CB -0.067 32.419 32.500 -0.025 0.000 0.743 173 K HN 1.115 nan 8.250 nan 0.000 0.458 174 V N -1.755 118.107 119.914 -0.086 0.000 3.046 174 V HA 0.507 4.626 4.120 -0.001 0.000 0.316 174 V C -2.911 173.112 176.094 -0.118 0.000 1.104 174 V CA -3.170 59.083 62.300 -0.079 0.000 1.006 174 V CB 1.822 33.605 31.823 -0.067 0.000 1.058 174 V HN -0.226 nan 8.190 nan 0.000 0.440 175 P HA 0.273 nan 4.420 nan 0.000 0.261 175 P C -0.472 176.762 177.300 -0.110 0.000 1.183 175 P CA 0.815 63.898 63.100 -0.029 0.000 0.761 175 P CB 0.185 31.938 31.700 0.088 0.000 0.785 176 T N 2.302 116.684 114.554 -0.287 0.000 2.900 176 T HA 0.354 4.703 4.350 -0.001 0.000 0.295 176 T C -0.814 173.807 174.700 -0.132 0.000 1.044 176 T CA -0.669 61.262 62.100 -0.281 0.000 0.995 176 T CB 1.673 70.181 68.868 -0.599 0.000 1.072 176 T HN 0.307 nan 8.240 nan 0.000 0.473 177 E N 1.769 122.038 120.200 0.115 0.000 2.166 177 E HA 0.546 4.895 4.350 -0.001 0.000 0.275 177 E C -1.551 175.280 176.600 0.386 0.000 0.941 177 E CA -0.715 55.856 56.400 0.285 0.000 0.784 177 E CB 0.854 30.828 29.700 0.458 0.000 1.115 177 E HN 0.465 nan 8.360 nan 0.000 0.399 178 F N 5.038 125.163 119.950 0.291 0.000 2.482 178 F HA 0.521 5.048 4.527 -0.001 0.000 0.331 178 F C -1.647 174.273 175.800 0.200 0.000 1.115 178 F CA -0.677 57.493 58.000 0.283 0.000 0.955 178 F CB 1.294 40.519 39.000 0.375 0.000 1.136 178 F HN 0.193 nan 8.300 nan 0.000 0.452 179 V N 7.484 127.041 119.914 -0.595 0.000 2.525 179 V HA 0.448 4.567 4.120 -0.001 0.000 0.299 179 V C -1.453 174.188 176.094 -0.755 0.000 1.034 179 V CA -0.812 61.124 62.300 -0.605 0.000 0.863 179 V CB 1.538 33.073 31.823 -0.481 0.000 0.999 179 V HN 0.667 nan 8.190 nan 0.000 0.423 180 F N 4.318 123.788 119.950 -0.801 0.000 2.562 180 F HA 0.745 5.271 4.527 -0.001 0.000 0.319 180 F C 0.705 176.315 175.800 -0.315 0.000 1.154 180 F CA 0.684 58.382 58.000 -0.503 0.000 0.931 180 F CB 1.517 40.286 39.000 -0.386 0.000 1.198 180 F HN 0.909 nan 8.300 nan 0.000 0.444 181 G N 5.963 114.160 108.800 -1.005 0.000 2.651 181 G HA2 -0.453 3.507 3.960 -0.001 0.000 0.315 181 G HA3 -0.453 3.507 3.960 -0.001 0.000 0.315 181 G C 0.843 175.507 174.900 -0.393 0.000 1.258 181 G CA 0.637 45.282 45.100 -0.759 0.000 1.002 181 G HN 1.225 nan 8.290 nan 0.000 0.551 182 N N 0.983 119.554 118.700 -0.216 0.000 2.461 182 N HA 0.036 4.775 4.740 -0.001 0.000 0.188 182 N C 1.048 176.521 175.510 -0.062 0.000 1.134 182 N CA 0.983 53.962 53.050 -0.119 0.000 0.878 182 N CB 0.130 38.592 38.487 -0.042 0.000 0.972 182 N HN 0.645 nan 8.380 nan 0.000 0.456 183 R N 0.831 121.326 120.500 -0.009 0.000 2.297 183 R HA 0.453 4.792 4.340 -0.001 0.000 0.308 183 R C -1.316 174.981 176.300 -0.005 0.000 1.029 183 R CA -0.491 55.664 56.100 0.092 0.000 0.929 183 R CB 1.019 31.491 30.300 0.286 0.000 1.046 183 R HN -0.116 nan 8.270 nan 0.000 0.461 184 V N 4.521 124.466 119.914 0.052 0.000 2.588 184 V HA 0.470 4.589 4.120 -0.001 0.000 0.304 184 V C -0.768 175.452 176.094 0.210 0.000 1.042 184 V CA -0.813 61.532 62.300 0.075 0.000 0.877 184 V CB 2.141 33.978 31.823 0.023 0.000 0.996 184 V HN 0.817 nan 8.190 nan 0.000 0.425 185 D N 2.957 123.534 120.400 0.295 0.000 2.671 185 D HA 0.572 5.211 4.640 -0.001 0.000 0.232 185 D C -0.734 175.654 176.300 0.147 0.000 1.114 185 D CA -0.676 53.459 54.000 0.224 0.000 0.858 185 D CB 3.035 43.983 40.800 0.247 0.000 1.544 185 D HN 0.382 nan 8.370 nan 0.000 0.471 186 R N 1.193 121.621 120.500 -0.120 0.000 2.534 186 R HA 0.573 4.913 4.340 -0.001 0.000 0.301 186 R C -1.108 174.794 176.300 -0.663 0.000 0.961 186 R CA -0.861 55.045 56.100 -0.322 0.000 0.871 186 R CB 1.873 31.894 30.300 -0.464 0.000 1.170 186 R HN 0.537 nan 8.270 nan 0.000 0.446 187 Y N -1.458 118.434 120.300 -0.680 0.000 2.677 187 Y HA 0.676 5.226 4.550 -0.001 0.000 0.334 187 Y C -2.019 173.782 175.900 -0.164 0.000 1.196 187 Y CA -1.264 56.414 58.100 -0.703 0.000 1.059 187 Y CB 1.366 38.756 38.460 -1.784 0.000 1.315 187 Y HN 0.312 nan 8.280 nan 0.000 0.455 188 V N 2.803 122.719 119.914 0.004 0.000 2.733 188 V HA 0.841 4.961 4.120 -0.001 0.000 0.306 188 V C 0.286 176.548 176.094 0.280 0.000 1.084 188 V CA 0.305 62.622 62.300 0.028 0.000 0.905 188 V CB 0.962 32.823 31.823 0.063 0.000 1.010 188 V HN 2.151 nan 8.190 nan 0.000 0.424 189 G N 5.325 114.308 108.800 0.305 0.000 2.598 189 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.269 189 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.269 189 G C 0.665 175.923 174.900 0.596 0.000 1.289 189 G CA 0.718 46.038 45.100 0.366 0.000 0.926 189 G HN 2.251 nan 8.290 nan 0.000 0.567 190 S N -0.994 114.963 115.700 0.428 0.000 2.629 190 S HA 0.338 4.808 4.470 -0.001 0.000 0.236 190 S C 0.095 174.812 174.600 0.196 0.000 1.010 190 S CA 0.955 59.374 58.200 0.366 0.000 0.981 190 S CB 0.700 64.020 63.200 0.200 0.000 0.919 190 S HN 0.835 nan 8.310 nan 0.000 0.514 191 D N 3.001 123.554 120.400 0.255 0.000 2.317 191 D HA 0.319 4.958 4.640 -0.001 0.000 0.252 191 D C -1.798 174.623 176.300 0.201 0.000 1.174 191 D CA -2.031 52.066 54.000 0.161 0.000 0.866 191 D CB 1.785 42.681 40.800 0.159 0.000 1.127 191 D HN -0.030 nan 8.370 nan 0.000 0.467 192 P HA -0.145 nan 4.420 nan 0.000 0.218 192 P C 0.814 178.244 177.300 0.217 0.000 1.146 192 P CA 1.224 64.327 63.100 0.004 0.000 0.813 192 P CB 0.362 32.020 31.700 -0.069 0.000 0.778 193 K N -0.692 119.827 120.400 0.199 0.000 2.280 193 K HA -0.089 4.230 4.320 -0.001 0.000 0.202 193 K C 1.071 177.865 176.600 0.322 0.000 1.047 193 K CA 1.085 57.501 56.287 0.215 0.000 0.942 193 K CB -0.536 32.045 32.500 0.135 0.000 0.739 193 K HN 0.188 nan 8.250 nan 0.000 0.457 194 D N -1.377 119.283 120.400 0.433 0.000 2.368 194 D HA 0.021 4.660 4.640 -0.001 0.000 0.218 194 D C -0.658 176.124 176.300 0.802 0.000 1.112 194 D CA 0.062 54.381 54.000 0.531 0.000 0.834 194 D CB 0.168 41.205 40.800 0.396 0.000 0.953 194 D HN 0.078 nan 8.370 nan 0.000 0.505 195 W N 1.335 122.882 121.300 0.412 0.000 2.469 195 W HA 0.264 4.923 4.660 -0.002 0.000 0.320 195 W C 1.686 178.276 176.519 0.120 0.000 1.086 195 W CA -0.908 56.580 57.345 0.239 0.000 1.211 195 W CB 1.030 30.561 29.460 0.119 0.000 1.298 195 W HN -0.116 nan 8.180 nan 0.000 0.525 196 E N 0.821 120.839 120.200 -0.303 0.000 2.118 196 E HA -0.249 4.100 4.350 -0.001 0.000 0.195 196 E C -0.070 176.544 176.600 0.023 0.000 0.992 196 E CA 1.226 57.353 56.400 -0.456 0.000 0.804 196 E CB 0.147 29.326 29.700 -0.868 0.000 0.741 196 E HN 0.273 nan 8.360 nan 0.000 0.458 197 D N -0.400 120.080 120.400 0.133 0.000 2.464 197 D HA 0.102 4.741 4.640 -0.001 0.000 0.243 197 D C -1.881 174.545 176.300 0.210 0.000 1.104 197 D CA -2.512 51.590 54.000 0.170 0.000 0.883 197 D CB 1.499 42.388 40.800 0.148 0.000 1.050 197 D HN -0.053 nan 8.370 nan 0.000 0.524 198 P HA -0.047 nan 4.420 nan 0.000 0.225 198 P C 0.060 177.347 177.300 -0.022 0.000 1.148 198 P CA 0.619 63.768 63.100 0.081 0.000 0.779 198 P CB 0.553 32.309 31.700 0.094 0.000 0.780 199 D N -0.562 119.846 120.400 0.014 0.000 2.342 199 D HA 0.023 4.662 4.640 -0.001 0.000 0.221 199 D C 0.586 176.881 176.300 -0.008 0.000 1.101 199 D CA 0.182 54.177 54.000 -0.008 0.000 0.837 199 D CB -0.054 40.758 40.800 0.021 0.000 0.938 199 D HN 0.080 nan 8.370 nan 0.000 0.508 200 S N 2.322 118.016 115.700 -0.010 0.000 2.558 200 S HA 0.004 4.473 4.470 -0.001 0.000 0.293 200 S C -1.060 173.524 174.600 -0.027 0.000 1.292 200 S CA -0.954 57.260 58.200 0.024 0.000 1.063 200 S CB 1.172 64.427 63.200 0.092 0.000 0.831 200 S HN 0.005 nan 8.310 nan 0.000 0.499 201 P HA -0.058 nan 4.420 nan 0.000 0.222 201 P C 1.251 178.605 177.300 0.090 0.000 1.147 201 P CA 1.099 64.293 63.100 0.156 0.000 0.790 201 P CB -0.294 31.581 31.700 0.290 0.000 0.780 202 T N 0.779 115.330 114.554 -0.005 0.000 2.708 202 T HA -0.128 4.222 4.350 -0.001 0.000 0.266 202 T C 1.820 176.234 174.700 -0.476 0.000 1.037 202 T CA 0.943 62.905 62.100 -0.230 0.000 1.146 202 T CB -0.848 67.837 68.868 -0.305 0.000 0.865 202 T HN 0.005 nan 8.240 nan 0.000 0.435 203 L N 1.137 121.954 121.223 -0.676 0.000 2.083 203 L HA 0.012 4.351 4.340 -0.001 0.000 0.209 203 L C 2.210 178.835 176.870 -0.408 0.000 1.083 203 L CA 1.680 56.012 54.840 -0.846 0.000 0.752 203 L CB -0.534 40.791 42.059 -1.222 0.000 0.899 203 L HN 0.134 nan 8.230 nan 0.000 0.433 204 K N -1.534 118.711 120.400 -0.259 0.000 2.002 204 K HA -0.155 4.164 4.320 -0.001 0.000 0.209 204 K C 2.051 178.576 176.600 -0.124 0.000 1.048 204 K CA 1.558 57.751 56.287 -0.157 0.000 0.930 204 K CB -0.638 31.808 32.500 -0.091 0.000 0.714 204 K HN 0.240 nan 8.250 nan 0.000 0.438 205 V N 1.918 121.792 119.914 -0.067 0.000 2.427 205 V HA -0.195 3.924 4.120 -0.001 0.000 0.248 205 V C 2.114 178.254 176.094 0.078 0.000 1.051 205 V CA 1.249 63.545 62.300 -0.006 0.000 1.048 205 V CB -0.216 31.701 31.823 0.158 0.000 0.666 205 V HN 0.261 nan 8.190 nan 0.000 0.456 206 L N 1.270 122.543 121.223 0.084 0.000 2.012 206 L HA -0.023 4.316 4.340 -0.001 0.000 0.210 206 L C 2.374 179.304 176.870 0.099 0.000 1.073 206 L CA 2.761 57.736 54.840 0.225 0.000 0.748 206 L CB -1.490 40.637 42.059 0.113 0.000 0.891 206 L HN 0.294 nan 8.230 nan 0.000 0.431 207 G N -1.104 107.677 108.800 -0.032 0.000 2.440 207 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.218 207 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.218 207 G C 1.535 176.400 174.900 -0.058 0.000 1.154 207 G CA 1.094 46.158 45.100 -0.061 0.000 0.767 207 G HN 0.356 nan 8.290 nan 0.000 0.552 208 V N 0.242 120.114 119.914 -0.071 0.000 2.307 208 V HA -0.139 3.980 4.120 -0.001 0.000 0.245 208 V C 3.003 179.046 176.094 -0.086 0.000 1.045 208 V CA 1.554 63.800 62.300 -0.089 0.000 1.024 208 V CB -0.144 31.606 31.823 -0.123 0.000 0.651 208 V HN 0.257 nan 8.190 nan 0.000 0.449 209 V N 0.016 119.872 119.914 -0.098 0.000 2.407 209 V HA -0.117 4.002 4.120 -0.001 0.000 0.245 209 V C 2.653 178.762 176.094 0.024 0.000 1.041 209 V CA 1.602 63.801 62.300 -0.170 0.000 1.040 209 V CB -0.977 30.441 31.823 -0.676 0.000 0.671 209 V HN 0.525 nan 8.190 nan 0.000 0.455 210 A N 0.869 123.759 122.820 0.117 0.000 1.908 210 A HA -0.126 4.194 4.320 -0.001 0.000 0.218 210 A C 2.425 179.983 177.584 -0.044 0.000 1.181 210 A CA 2.064 54.091 52.037 -0.016 0.000 0.627 210 A CB -1.305 17.546 19.000 -0.248 0.000 0.818 210 A HN 0.519 nan 8.150 nan 0.000 0.445 211 G N -0.689 108.082 108.800 -0.047 0.000 2.440 211 G HA2 -0.021 3.939 3.960 -0.001 0.000 0.218 211 G HA3 -0.021 3.939 3.960 -0.001 0.000 0.218 211 G C 1.499 176.377 174.900 -0.037 0.000 1.154 211 G CA 1.312 46.382 45.100 -0.050 0.000 0.767 211 G HN 0.747 nan 8.290 nan 0.000 0.552 212 G N 0.220 108.999 108.800 -0.035 0.000 2.421 212 G HA2 0.027 3.986 3.960 -0.001 0.000 0.217 212 G HA3 0.027 3.986 3.960 -0.001 0.000 0.217 212 G C 1.756 176.675 174.900 0.031 0.000 1.143 212 G CA 0.465 45.540 45.100 -0.042 0.000 0.784 212 G HN 0.424 nan 8.290 nan 0.000 0.541 213 L N -0.239 121.042 121.223 0.096 0.000 2.202 213 L HA 0.098 4.437 4.340 -0.001 0.000 0.205 213 L C 2.548 179.503 176.870 0.142 0.000 1.083 213 L CA 0.326 55.275 54.840 0.181 0.000 0.790 213 L CB 0.088 42.298 42.059 0.252 0.000 0.942 213 L HN 0.101 nan 8.230 nan 0.000 0.452 214 V N -1.483 118.476 119.914 0.076 0.000 2.908 214 V HA 0.383 4.502 4.120 -0.001 0.000 0.240 214 V C 1.292 177.389 176.094 0.005 0.000 1.117 214 V CA 0.598 62.918 62.300 0.033 0.000 1.133 214 V CB -0.160 31.644 31.823 -0.032 0.000 0.857 214 V HN 0.541 nan 8.190 nan 0.000 0.478 215 G N 1.505 110.297 108.800 -0.014 0.000 2.569 215 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.259 215 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.259 215 G C -0.480 174.400 174.900 -0.033 0.000 1.263 215 G CA 0.146 45.232 45.100 -0.025 0.000 0.928 215 G HN 0.471 nan 8.290 nan 0.000 0.572 216 N N 1.548 120.232 118.700 -0.028 0.000 2.284 216 N HA 0.553 5.293 4.740 -0.001 0.000 0.300 216 N C -1.418 174.079 175.510 -0.022 0.000 1.047 216 N CA -1.258 51.775 53.050 -0.029 0.000 0.821 216 N CB 2.503 40.973 38.487 -0.029 0.000 1.337 216 N HN 0.275 nan 8.380 nan 0.000 0.482 217 P HA -0.062 nan 4.420 nan 0.000 0.225 217 P C -0.305 176.986 177.300 -0.014 0.000 1.156 217 P CA 1.308 64.398 63.100 -0.016 0.000 0.787 217 P CB 0.771 32.463 31.700 -0.014 0.000 0.802 218 Q N -0.871 118.920 119.800 -0.016 0.000 2.458 218 Q HA 0.514 4.853 4.340 -0.001 0.000 0.282 218 Q C 0.804 176.794 176.000 -0.016 0.000 1.106 218 Q CA -0.247 55.548 55.803 -0.014 0.000 0.814 218 Q CB 1.863 30.594 28.738 -0.013 0.000 1.425 218 Q HN 0.179 nan 8.270 nan 0.000 0.437 219 G N 1.537 110.328 108.800 -0.015 0.000 2.539 219 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.256 219 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.256 219 G C -0.435 174.454 174.900 -0.018 0.000 1.233 219 G CA 0.242 45.333 45.100 -0.016 0.000 0.936 219 G HN 0.816 nan 8.290 nan 0.000 0.571 220 E N 0.759 120.947 120.200 -0.019 0.000 2.404 220 E HA 0.391 4.740 4.350 -0.001 0.000 0.261 220 E C -0.156 176.431 176.600 -0.023 0.000 1.074 220 E CA -0.457 55.931 56.400 -0.021 0.000 0.917 220 E CB 0.462 30.148 29.700 -0.023 0.000 0.965 220 E HN 0.428 nan 8.360 nan 0.000 0.433 221 N N 1.694 120.381 118.700 -0.022 0.000 2.422 221 N HA 0.075 4.814 4.740 -0.001 0.000 0.264 221 N C 0.217 175.710 175.510 -0.029 0.000 1.063 221 N CA -0.101 52.936 53.050 -0.022 0.000 0.959 221 N CB 1.792 40.269 38.487 -0.018 0.000 1.087 221 N HN 0.553 nan 8.380 nan 0.000 0.483 222 V N -0.792 119.101 119.914 -0.033 0.000 3.477 222 V HA 0.459 4.578 4.120 -0.001 0.000 0.297 222 V C 0.780 176.840 176.094 -0.056 0.000 1.433 222 V CA -0.345 61.927 62.300 -0.045 0.000 1.052 222 V CB -0.100 31.695 31.823 -0.046 0.000 0.895 222 V HN 0.474 nan 8.190 nan 0.000 0.438 223 A N 0.732 123.526 122.820 -0.043 0.000 2.351 223 A HA 0.648 4.967 4.320 -0.001 0.000 0.257 223 A C 0.906 178.422 177.584 -0.113 0.000 1.087 223 A CA 0.288 52.296 52.037 -0.048 0.000 0.798 223 A CB 0.936 19.940 19.000 0.007 0.000 1.033 223 A HN 0.407 nan 8.150 nan 0.000 0.488 224 M N 0.523 119.984 119.600 -0.232 0.000 2.388 224 M HA 0.149 4.628 4.480 -0.001 0.000 0.265 224 M C -0.746 175.151 176.300 -0.673 0.000 1.088 224 M CA 1.522 56.507 55.300 -0.525 0.000 1.134 224 M CB -0.068 32.041 32.600 -0.819 0.000 1.384 224 M HN 0.568 nan 8.290 nan 0.000 0.447 225 Y N 1.164 121.432 120.300 -0.053 0.000 2.863 225 Y HA 0.496 5.045 4.550 -0.002 0.000 0.348 225 Y C -2.358 173.652 175.900 0.184 0.000 1.028 225 Y CA -3.390 54.651 58.100 -0.099 0.000 1.213 225 Y CB -0.515 37.673 38.460 -0.454 0.000 1.120 225 Y HN 0.122 nan 8.280 nan 0.000 0.598 226 P HA 0.226 nan 4.420 nan 0.000 0.272 226 P C -0.269 177.273 177.300 0.404 0.000 1.240 226 P CA -0.000 63.253 63.100 0.255 0.000 0.791 226 P CB 1.820 33.607 31.700 0.144 0.000 0.978 227 I N 0.146 120.862 120.570 0.244 0.000 2.436 227 I HA 0.404 4.573 4.170 -0.001 0.000 0.289 227 I C 0.434 176.567 176.117 0.026 0.000 1.010 227 I CA -0.899 60.540 61.300 0.231 0.000 1.098 227 I CB 1.523 39.600 38.000 0.129 0.000 1.266 227 I HN 0.506 nan 8.210 nan 0.000 0.434 228 A N 5.435 128.208 122.820 -0.078 0.000 2.783 228 A HA -0.257 4.062 4.320 -0.001 0.000 0.292 228 A C 0.921 178.331 177.584 -0.290 0.000 1.495 228 A CA 1.027 52.703 52.037 -0.602 0.000 0.787 228 A CB -1.889 16.500 19.000 -1.018 0.000 1.017 228 A HN 0.993 nan 8.150 nan 0.000 0.516 229 N N -4.056 114.599 118.700 -0.075 0.000 2.732 229 N HA -0.251 4.488 4.740 -0.001 0.000 0.250 229 N C 0.259 175.756 175.510 -0.022 0.000 1.097 229 N CA 1.785 54.823 53.050 -0.020 0.000 0.812 229 N CB -2.220 36.250 38.487 -0.028 0.000 1.148 229 N HN 2.065 nan 8.380 nan 0.000 0.572 230 V N -3.938 115.959 119.914 -0.028 0.000 3.126 230 V HA 0.646 4.765 4.120 -0.001 0.000 0.314 230 V C -0.016 176.084 176.094 0.009 0.000 1.138 230 V CA -1.057 61.232 62.300 -0.019 0.000 1.034 230 V CB 2.092 33.889 31.823 -0.043 0.000 1.075 230 V HN -0.156 nan 8.190 nan 0.000 0.442 231 D N 2.321 122.723 120.400 0.003 0.000 2.414 231 D HA 0.281 4.920 4.640 -0.001 0.000 0.242 231 D C -1.743 174.565 176.300 0.014 0.000 1.129 231 D CA -1.479 52.530 54.000 0.014 0.000 0.885 231 D CB 1.528 42.327 40.800 -0.001 0.000 1.198 231 D HN 0.416 nan 8.370 nan 0.000 0.437 232 P HA -0.214 nan 4.420 nan 0.000 0.217 232 P C 1.019 178.319 177.300 -0.000 0.000 1.151 232 P CA 1.768 64.875 63.100 0.010 0.000 0.849 232 P CB 0.177 31.893 31.700 0.026 0.000 0.787 233 A N -0.137 122.683 122.820 0.000 0.000 1.948 233 A HA -0.266 4.053 4.320 -0.001 0.000 0.220 233 A C 2.082 179.663 177.584 -0.006 0.000 1.177 233 A CA 1.910 53.943 52.037 -0.006 0.000 0.636 233 A CB -1.020 17.970 19.000 -0.016 0.000 0.815 233 A HN 0.209 nan 8.150 nan 0.000 0.449 234 K N -0.695 119.699 120.400 -0.010 0.000 2.103 234 K HA 0.008 4.327 4.320 -0.001 0.000 0.204 234 K C 1.695 178.285 176.600 -0.017 0.000 1.052 234 K CA 1.033 57.312 56.287 -0.013 0.000 0.945 234 K CB -0.193 32.296 32.500 -0.018 0.000 0.722 234 K HN 0.387 nan 8.250 nan 0.000 0.443 235 I N 1.325 121.882 120.570 -0.022 0.000 2.315 235 I HA -0.164 4.006 4.170 -0.001 0.000 0.248 235 I C 2.466 178.564 176.117 -0.032 0.000 1.117 235 I CA 1.055 62.334 61.300 -0.034 0.000 1.404 235 I CB -1.402 36.571 38.000 -0.045 0.000 1.071 235 I HN 0.056 nan 8.210 nan 0.000 0.419 236 A N 1.060 123.878 122.820 -0.004 0.000 1.940 236 A HA -0.134 4.185 4.320 -0.001 0.000 0.219 236 A C 2.569 180.185 177.584 0.053 0.000 1.176 236 A CA 1.947 54.014 52.037 0.050 0.000 0.631 236 A CB -0.678 18.364 19.000 0.070 0.000 0.814 236 A HN 0.412 nan 8.150 nan 0.000 0.446 237 A N -0.153 122.681 122.820 0.023 0.000 1.930 237 A HA -0.043 4.276 4.320 -0.001 0.000 0.217 237 A C 2.101 179.687 177.584 0.003 0.000 1.175 237 A CA 1.461 53.510 52.037 0.019 0.000 0.627 237 A CB -0.531 18.474 19.000 0.008 0.000 0.815 237 A HN 0.513 nan 8.150 nan 0.000 0.443 238 I N -0.416 120.144 120.570 -0.017 0.000 2.202 238 I HA -0.224 3.945 4.170 -0.001 0.000 0.242 238 I C 2.231 178.308 176.117 -0.067 0.000 1.091 238 I CA 1.043 62.324 61.300 -0.031 0.000 1.368 238 I CB -0.382 37.601 38.000 -0.028 0.000 1.058 238 I HN 0.248 nan 8.210 nan 0.000 0.410 239 L N 0.584 121.736 121.223 -0.119 0.000 2.187 239 L HA -0.213 4.126 4.340 -0.001 0.000 0.213 239 L C 1.834 178.538 176.870 -0.277 0.000 1.100 239 L CA 1.153 55.833 54.840 -0.266 0.000 0.765 239 L CB -0.644 41.142 42.059 -0.454 0.000 0.904 239 L HN 0.320 nan 8.230 nan 0.000 0.437 240 N N -0.051 118.608 118.700 -0.067 0.000 2.336 240 N HA 0.108 4.847 4.740 -0.001 0.000 0.189 240 N C 0.332 175.865 175.510 0.038 0.000 1.113 240 N CA 0.145 53.238 53.050 0.071 0.000 0.858 240 N CB 0.263 38.873 38.487 0.205 0.000 0.970 240 N HN 0.197 nan 8.380 nan 0.000 0.471 241 A N -0.346 122.474 122.820 0.000 0.000 2.371 241 A HA 0.576 4.895 4.320 -0.001 0.000 0.257 241 A C 1.394 178.983 177.584 0.008 0.000 1.089 241 A CA 0.151 52.192 52.037 0.007 0.000 0.794 241 A CB 0.384 19.382 19.000 -0.003 0.000 1.029 241 A HN 0.295 nan 8.150 nan 0.000 0.488 242 A N 1.385 124.213 122.820 0.013 0.000 1.930 242 A HA 0.126 4.445 4.320 -0.001 0.000 0.217 242 A C 1.350 178.938 177.584 0.007 0.000 1.175 242 A CA 1.995 54.041 52.037 0.014 0.000 0.627 242 A CB -0.470 18.538 19.000 0.014 0.000 0.815 242 A HN 1.568 nan 8.150 nan 0.000 0.443 243 T N -1.385 113.171 114.554 0.004 0.000 3.658 243 T HA 0.478 4.828 4.350 -0.001 0.000 0.245 243 T C -2.733 171.969 174.700 0.002 0.000 1.292 243 T CA -1.362 60.740 62.100 0.003 0.000 1.598 243 T CB 0.613 69.483 68.868 0.004 0.000 0.861 243 T HN 0.204 nan 8.240 nan 0.000 0.663 244 P HA 0.412 nan 4.420 nan 0.000 0.272 244 P C -2.487 174.816 177.300 0.006 0.000 1.230 244 P CA -0.980 62.120 63.100 0.000 0.000 0.788 244 P CB -0.270 31.426 31.700 -0.008 0.000 0.949 245 P HA 0.132 nan 4.420 nan 0.000 0.269 245 P C -0.473 176.838 177.300 0.018 0.000 1.217 245 P CA -0.190 62.919 63.100 0.015 0.000 0.783 245 P CB 0.066 31.777 31.700 0.019 0.000 0.898 246 A N 1.836 124.666 122.820 0.017 0.000 2.545 246 A HA 0.063 4.382 4.320 -0.001 0.000 0.253 246 A C 1.073 178.672 177.584 0.025 0.000 1.074 246 A CA 0.737 52.785 52.037 0.018 0.000 0.760 246 A CB -0.907 18.102 19.000 0.015 0.000 1.005 246 A HN 0.770 nan 8.150 nan 0.000 0.506 247 D N 0.247 120.662 120.400 0.026 0.000 2.603 247 D HA -0.247 4.392 4.640 -0.001 0.000 0.180 247 D C 1.292 177.621 176.300 0.048 0.000 0.972 247 D CA 1.618 55.637 54.000 0.032 0.000 1.022 247 D CB -1.242 39.576 40.800 0.031 0.000 1.079 247 D HN 0.861 nan 8.370 nan 0.000 0.455 248 A N 0.741 123.592 122.820 0.051 0.000 1.877 248 A HA -0.061 4.258 4.320 -0.001 0.000 0.216 248 A C 2.498 180.125 177.584 0.071 0.000 1.186 248 A CA 1.615 53.695 52.037 0.071 0.000 0.620 248 A CB -0.652 18.377 19.000 0.048 0.000 0.822 248 A HN 0.361 nan 8.150 nan 0.000 0.443 249 L N -0.860 120.387 121.223 0.040 0.000 2.056 249 L HA -0.176 4.164 4.340 -0.001 0.000 0.207 249 L C 2.653 179.550 176.870 0.045 0.000 1.078 249 L CA 1.661 56.519 54.840 0.030 0.000 0.749 249 L CB -0.531 41.534 42.059 0.009 0.000 0.901 249 L HN 0.520 nan 8.230 nan 0.000 0.433 250 E N 0.599 120.824 120.200 0.041 0.000 2.085 250 E HA -0.215 4.134 4.350 -0.001 0.000 0.194 250 E C 2.314 178.933 176.600 0.032 0.000 0.994 250 E CA 1.398 57.820 56.400 0.037 0.000 0.801 250 E CB 0.023 29.738 29.700 0.025 0.000 0.743 250 E HN 0.160 nan 8.360 nan 0.000 0.453 251 R N 0.051 120.573 120.500 0.036 0.000 2.090 251 R HA 0.007 4.346 4.340 -0.001 0.000 0.228 251 R C 2.593 178.907 176.300 0.024 0.000 1.110 251 R CA 1.204 57.290 56.100 -0.023 0.000 0.973 251 R CB -0.630 29.678 30.300 0.013 0.000 0.869 251 R HN 0.364 nan 8.270 nan 0.000 0.440 252 I N 1.025 121.701 120.570 0.177 0.000 2.127 252 I HA -0.333 3.836 4.170 -0.001 0.000 0.241 252 I C 2.715 178.944 176.117 0.187 0.000 1.075 252 I CA 1.459 62.902 61.300 0.238 0.000 1.334 252 I CB -0.319 37.767 38.000 0.144 0.000 1.040 252 I HN 0.097 nan 8.210 nan 0.000 0.405 253 Q N 0.800 120.673 119.800 0.122 0.000 2.096 253 Q HA -0.219 4.120 4.340 -0.001 0.000 0.204 253 Q C 2.104 178.189 176.000 0.143 0.000 0.982 253 Q CA 2.911 58.797 55.803 0.138 0.000 0.850 253 Q CB -0.294 28.508 28.738 0.106 0.000 0.901 253 Q HN 0.633 nan 8.270 nan 0.000 0.422 254 T N -3.642 110.957 114.554 0.076 0.000 3.015 254 T HA 0.228 4.577 4.350 -0.001 0.000 0.250 254 T C 1.600 176.298 174.700 -0.003 0.000 1.057 254 T CA 0.515 62.642 62.100 0.044 0.000 1.066 254 T CB 0.180 69.058 68.868 0.017 0.000 0.959 254 T HN 0.226 nan 8.240 nan 0.000 0.488 255 K N -0.964 119.392 120.400 -0.073 0.000 2.363 255 K HA 0.241 4.560 4.320 -0.001 0.000 0.215 255 K C 1.589 178.150 176.600 -0.065 0.000 1.179 255 K CA -0.071 56.104 56.287 -0.186 0.000 0.856 255 K CB 0.189 32.382 32.500 -0.511 0.000 1.371 255 K HN 0.150 nan 8.250 nan 0.000 0.455 256 Y N 0.034 120.415 120.300 0.135 0.000 2.243 256 Y HA -0.114 4.435 4.550 -0.001 0.000 0.293 256 Y C 2.157 178.210 175.900 0.255 0.000 1.124 256 Y CA 0.819 59.019 58.100 0.166 0.000 1.159 256 Y CB -0.558 37.995 38.460 0.155 0.000 1.008 256 Y HN 0.344 nan 8.280 nan 0.000 0.527 257 W N 2.203 123.617 121.300 0.190 0.000 2.379 257 W HA -0.115 4.544 4.660 -0.001 0.000 0.307 257 W C -1.076 175.507 176.519 0.105 0.000 1.200 257 W CA 1.142 58.557 57.345 0.117 0.000 1.297 257 W CB -1.194 28.288 29.460 0.037 0.000 1.140 257 W HN 0.081 nan 8.180 nan 0.000 0.507 258 P HA -0.208 nan 4.420 nan 0.000 0.217 258 P C 1.057 178.302 177.300 -0.092 0.000 1.148 258 P CA 2.287 65.340 63.100 -0.079 0.000 0.828 258 P CB -0.320 31.392 31.700 0.021 0.000 0.783 259 E N -1.928 118.277 120.200 0.009 0.000 2.106 259 E HA -0.168 4.181 4.350 -0.001 0.000 0.192 259 E C 1.777 178.343 176.600 -0.056 0.000 0.984 259 E CA 0.696 57.096 56.400 -0.001 0.000 0.806 259 E CB -0.558 29.193 29.700 0.085 0.000 0.750 259 E HN 0.245 nan 8.360 nan 0.000 0.458 260 F N 1.258 121.119 119.950 -0.148 0.000 2.146 260 F HA -0.156 4.371 4.527 -0.001 0.000 0.298 260 F C 1.965 177.553 175.800 -0.355 0.000 1.096 260 F CA 1.207 59.108 58.000 -0.166 0.000 1.275 260 F CB 0.013 38.938 39.000 -0.126 0.000 1.008 260 F HN -0.098 nan 8.300 nan 0.000 0.480 261 I N 0.300 120.642 120.570 -0.380 0.000 2.163 261 I HA -0.330 3.839 4.170 -0.001 0.000 0.243 261 I C 2.706 178.620 176.117 -0.338 0.000 1.085 261 I CA 1.278 62.285 61.300 -0.489 0.000 1.347 261 I CB -0.963 36.593 38.000 -0.740 0.000 1.044 261 I HN 0.226 nan 8.210 nan 0.000 0.408 262 A N 0.136 122.796 122.820 -0.265 0.000 1.933 262 A HA -0.256 4.063 4.320 -0.001 0.000 0.218 262 A C 2.269 179.685 177.584 -0.280 0.000 1.175 262 A CA 1.666 53.588 52.037 -0.192 0.000 0.628 262 A CB -0.559 18.359 19.000 -0.135 0.000 0.814 262 A HN 0.514 nan 8.150 nan 0.000 0.444 263 Q N -2.401 117.114 119.800 -0.476 0.000 2.137 263 Q HA -0.083 4.257 4.340 -0.001 0.000 0.198 263 Q C 0.803 176.341 176.000 -0.770 0.000 0.960 263 Q CA 1.408 56.761 55.803 -0.750 0.000 0.847 263 Q CB -0.036 27.933 28.738 -1.281 0.000 0.915 263 Q HN 0.853 nan 8.270 nan 0.000 0.448 264 Y N -1.374 118.667 120.300 -0.431 0.000 2.527 264 Y HA 0.135 4.684 4.550 -0.001 0.000 0.247 264 Y C 0.865 176.570 175.900 -0.326 0.000 1.138 264 Y CA -0.570 57.249 58.100 -0.468 0.000 1.228 264 Y CB 0.431 38.387 38.460 -0.840 0.000 1.252 264 Y HN 0.031 nan 8.280 nan 0.000 0.531 265 D N 0.125 120.437 120.400 -0.145 0.000 2.350 265 D HA -0.046 4.593 4.640 -0.001 0.000 0.216 265 D C 2.155 178.440 176.300 -0.025 0.000 0.968 265 D CA 1.247 55.202 54.000 -0.075 0.000 0.894 265 D CB -0.044 40.717 40.800 -0.065 0.000 0.909 265 D HN 0.351 nan 8.370 nan 0.000 0.520 266 G N -0.373 108.404 108.800 -0.039 0.000 3.284 266 G HA2 0.213 4.172 3.960 -0.001 0.000 0.236 266 G HA3 0.213 4.172 3.960 -0.001 0.000 0.236 266 G C -0.087 174.792 174.900 -0.036 0.000 1.158 266 G CA -0.272 44.813 45.100 -0.025 0.000 0.774 266 G HN 0.193 nan 8.290 nan 0.000 0.545 267 L N 2.337 123.528 121.223 -0.053 0.000 2.325 267 L HA 0.527 4.867 4.340 -0.001 0.000 0.281 267 L C 0.610 177.414 176.870 -0.109 0.000 1.004 267 L CA -0.554 54.238 54.840 -0.081 0.000 0.823 267 L CB 1.556 43.551 42.059 -0.108 0.000 1.236 267 L HN 0.080 nan 8.230 nan 0.000 0.415 268 T N 1.419 115.913 114.554 -0.100 0.000 2.868 268 T HA 0.179 4.528 4.350 -0.001 0.000 0.292 268 T C 1.198 175.796 174.700 -0.170 0.000 1.028 268 T CA -0.376 61.661 62.100 -0.106 0.000 1.059 268 T CB 0.781 69.603 68.868 -0.077 0.000 0.991 268 T HN 0.631 nan 8.240 nan 0.000 0.531 269 L N 2.461 123.588 121.223 -0.159 0.000 2.012 269 L HA 0.123 4.462 4.340 -0.001 0.000 0.210 269 L C 2.540 179.169 176.870 -0.402 0.000 1.073 269 L CA 2.592 57.304 54.840 -0.214 0.000 0.748 269 L CB -1.446 40.540 42.059 -0.122 0.000 0.891 269 L HN 0.956 nan 8.230 nan 0.000 0.431 270 G N -1.188 107.282 108.800 -0.549 0.000 2.422 270 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.218 270 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.218 270 G C 1.593 176.225 174.900 -0.447 0.000 1.146 270 G CA 0.877 45.395 45.100 -0.970 0.000 0.769 270 G HN 0.686 nan 8.290 nan 0.000 0.547 271 A N 1.140 123.812 122.820 -0.246 0.000 1.902 271 A HA 0.293 4.612 4.320 -0.001 0.000 0.217 271 A C 2.821 180.328 177.584 -0.128 0.000 1.181 271 A CA 2.201 54.154 52.037 -0.140 0.000 0.623 271 A CB -0.771 18.172 19.000 -0.094 0.000 0.818 271 A HN 0.757 nan 8.150 nan 0.000 0.443 272 A N -0.498 122.210 122.820 -0.185 0.000 1.877 272 A HA -0.002 4.317 4.320 -0.001 0.000 0.216 272 A C 2.232 179.780 177.584 -0.059 0.000 1.186 272 A CA 1.782 53.738 52.037 -0.134 0.000 0.620 272 A CB -1.003 17.779 19.000 -0.364 0.000 0.822 272 A HN 0.388 nan 8.150 nan 0.000 0.443 273 V N 0.069 119.872 119.914 -0.185 0.000 2.287 273 V HA -0.294 3.825 4.120 -0.001 0.000 0.248 273 V C 2.668 178.696 176.094 -0.111 0.000 1.053 273 V CA 2.442 64.624 62.300 -0.196 0.000 1.027 273 V CB -0.816 30.852 31.823 -0.258 0.000 0.646 273 V HN 0.675 nan 8.190 nan 0.000 0.447 274 R N -0.157 120.286 120.500 -0.094 0.000 2.096 274 R HA -0.186 4.153 4.340 -0.001 0.000 0.235 274 R C 2.301 178.596 176.300 -0.009 0.000 1.127 274 R CA 1.831 57.913 56.100 -0.030 0.000 0.968 274 R CB -0.183 30.104 30.300 -0.022 0.000 0.861 274 R HN 0.643 nan 8.270 nan 0.000 0.440 275 E N 0.159 120.362 120.200 0.004 0.000 2.077 275 E HA -0.200 4.149 4.350 -0.001 0.000 0.193 275 E C 2.058 178.657 176.600 -0.001 0.000 0.989 275 E CA 1.487 57.903 56.400 0.027 0.000 0.800 275 E CB -0.110 29.644 29.700 0.091 0.000 0.746 275 E HN 0.415 nan 8.360 nan 0.000 0.452 276 I N 0.702 121.266 120.570 -0.011 0.000 2.179 276 I HA -0.252 3.917 4.170 -0.001 0.000 0.242 276 I C 2.395 178.481 176.117 -0.051 0.000 1.088 276 I CA 0.812 62.079 61.300 -0.055 0.000 1.357 276 I CB -0.195 37.765 38.000 -0.066 0.000 1.051 276 I HN -0.021 nan 8.210 nan 0.000 0.409 277 V N 0.437 120.325 119.914 -0.043 0.000 2.407 277 V HA -0.275 3.844 4.120 -0.001 0.000 0.248 277 V C 2.488 178.603 176.094 0.036 0.000 1.055 277 V CA 2.400 64.687 62.300 -0.022 0.000 1.049 277 V CB -0.887 30.941 31.823 0.008 0.000 0.662 277 V HN 0.477 nan 8.190 nan 0.000 0.455 278 T N -0.036 114.540 114.554 0.037 0.000 2.708 278 T HA -0.161 4.188 4.350 -0.001 0.000 0.266 278 T C 1.958 176.710 174.700 0.088 0.000 1.037 278 T CA 1.692 63.835 62.100 0.071 0.000 1.146 278 T CB -0.225 68.669 68.868 0.042 0.000 0.865 278 T HN 0.287 nan 8.240 nan 0.000 0.435 279 V N 1.729 121.661 119.914 0.031 0.000 2.343 279 V HA -0.164 3.955 4.120 -0.001 0.000 0.247 279 V C 2.883 178.981 176.094 0.006 0.000 1.051 279 V CA 1.729 64.034 62.300 0.008 0.000 1.036 279 V CB -1.189 30.614 31.823 -0.033 0.000 0.654 279 V HN 0.530 nan 8.190 nan 0.000 0.451 280 A N -0.854 121.964 122.820 -0.004 0.000 1.930 280 A HA -0.203 4.116 4.320 -0.001 0.000 0.217 280 A C 2.095 179.678 177.584 -0.001 0.000 1.175 280 A CA 1.776 53.795 52.037 -0.031 0.000 0.627 280 A CB -0.650 18.306 19.000 -0.072 0.000 0.815 280 A HN 0.502 nan 8.150 nan 0.000 0.443 281 F N 0.797 120.699 119.950 -0.079 0.000 2.146 281 F HA -0.100 4.426 4.527 -0.002 0.000 0.298 281 F C 2.210 177.998 175.800 -0.020 0.000 1.096 281 F CA 2.040 60.015 58.000 -0.042 0.000 1.275 281 F CB -0.198 38.811 39.000 0.016 0.000 1.008 281 F HN 0.337 nan 8.300 nan 0.000 0.480 282 E N -0.376 119.883 120.200 0.099 0.000 2.153 282 E HA -0.246 4.103 4.350 -0.001 0.000 0.194 282 E C 1.851 178.410 176.600 -0.067 0.000 0.988 282 E CA 1.113 57.523 56.400 0.016 0.000 0.811 282 E CB -0.101 29.633 29.700 0.055 0.000 0.746 282 E HN 0.130 nan 8.360 nan 0.000 0.466 283 K N -0.643 119.715 120.400 -0.069 0.000 2.365 283 K HA -0.006 4.313 4.320 -0.001 0.000 0.197 283 K C 1.018 177.548 176.600 -0.117 0.000 1.042 283 K CA 0.917 57.155 56.287 -0.080 0.000 0.987 283 K CB 0.366 32.826 32.500 -0.065 0.000 0.779 283 K HN 0.203 nan 8.250 nan 0.000 0.484 284 G N -1.113 107.579 108.800 -0.180 0.000 2.175 284 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.244 284 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.244 284 G C 0.966 175.766 174.900 -0.166 0.000 0.982 284 G CA 0.708 45.680 45.100 -0.214 0.000 0.641 284 G HN 0.324 nan 8.290 nan 0.000 0.527 285 T N 0.365 114.837 114.554 -0.137 0.000 2.821 285 T HA 0.145 4.494 4.350 -0.001 0.000 0.267 285 T C 1.201 175.820 174.700 -0.134 0.000 1.046 285 T CA 1.030 63.059 62.100 -0.117 0.000 1.139 285 T CB 0.044 68.849 68.868 -0.104 0.000 0.871 285 T HN 0.359 nan 8.240 nan 0.000 0.454 286 L N 3.288 124.416 121.223 -0.158 0.000 2.272 286 L HA 0.374 4.713 4.340 -0.001 0.000 0.289 286 L C -2.247 174.573 176.870 -0.083 0.000 1.032 286 L CA -2.401 52.331 54.840 -0.180 0.000 0.810 286 L CB 1.354 43.194 42.059 -0.364 0.000 1.205 286 L HN -0.015 nan 8.230 nan 0.000 0.422 287 P HA 0.296 nan 4.420 nan 0.000 0.276 287 P C -2.651 174.834 177.300 0.309 0.000 1.252 287 P CA -1.929 61.197 63.100 0.044 0.000 0.802 287 P CB -0.061 31.676 31.700 0.062 0.000 1.035 288 P HA -0.057 nan 4.420 nan 0.000 0.266 288 P C 1.246 178.680 177.300 0.224 0.000 1.193 288 P CA 0.208 63.538 63.100 0.382 0.000 0.770 288 P CB 0.201 32.020 31.700 0.200 0.000 0.836 289 V N 1.083 121.048 119.914 0.084 0.000 2.358 289 V HA -0.133 3.986 4.120 -0.001 0.000 0.246 289 V C 1.015 177.030 176.094 -0.131 0.000 1.047 289 V CA 2.489 64.686 62.300 -0.171 0.000 1.035 289 V CB -0.950 30.547 31.823 -0.543 0.000 0.658 289 V HN 0.797 nan 8.190 nan 0.000 0.452 290 D N -3.063 117.284 120.400 -0.088 0.000 3.103 290 D HA 0.258 4.898 4.640 -0.001 0.000 0.337 290 D C 0.901 177.188 176.300 -0.023 0.000 1.356 290 D CA 0.243 54.209 54.000 -0.058 0.000 0.951 290 D CB 0.627 41.371 40.800 -0.093 0.000 1.438 290 D HN -0.053 nan 8.370 nan 0.000 0.562 291 G N -1.048 107.739 108.800 -0.022 0.000 2.985 291 G HA2 0.257 4.216 3.960 -0.001 0.000 0.209 291 G HA3 0.257 4.216 3.960 -0.001 0.000 0.209 291 G C 0.758 175.652 174.900 -0.010 0.000 1.165 291 G CA 0.533 45.628 45.100 -0.008 0.000 0.776 291 G HN 0.221 nan 8.290 nan 0.000 0.541 292 V N -0.097 119.802 119.914 -0.025 0.000 2.806 292 V HA 0.254 4.374 4.120 -0.001 0.000 0.239 292 V C 0.938 177.018 176.094 -0.022 0.000 1.113 292 V CA -0.108 62.178 62.300 -0.025 0.000 1.137 292 V CB -0.159 31.642 31.823 -0.036 0.000 0.865 292 V HN 0.089 nan 8.190 nan 0.000 0.482 293 L N 2.770 123.969 121.223 -0.041 0.000 2.499 293 L HA 0.180 4.519 4.340 -0.001 0.000 0.273 293 L C 0.403 177.272 176.870 -0.002 0.000 1.195 293 L CA 0.178 54.994 54.840 -0.040 0.000 0.882 293 L CB -0.183 41.820 42.059 -0.094 0.000 1.133 293 L HN 0.470 nan 8.230 nan 0.000 0.483 294 D N 2.272 122.673 120.400 0.001 0.000 2.414 294 D HA 0.075 4.714 4.640 -0.001 0.000 0.251 294 D C 1.102 177.409 176.300 0.013 0.000 1.252 294 D CA -0.473 53.541 54.000 0.023 0.000 0.999 294 D CB 0.473 41.284 40.800 0.018 0.000 1.093 294 D HN 0.148 nan 8.370 nan 0.000 0.515 295 V N 0.093 120.032 119.914 0.043 0.000 2.255 295 V HA -0.254 3.865 4.120 -0.001 0.000 0.247 295 V C 2.060 178.070 176.094 -0.141 0.000 1.051 295 V CA 2.526 64.837 62.300 0.018 0.000 1.018 295 V CB -0.905 30.995 31.823 0.129 0.000 0.641 295 V HN 0.716 nan 8.190 nan 0.000 0.445 296 D N -0.754 119.611 120.400 -0.059 0.000 2.144 296 D HA -0.166 4.473 4.640 -0.001 0.000 0.199 296 D C 2.217 178.481 176.300 -0.061 0.000 0.984 296 D CA 0.903 54.868 54.000 -0.059 0.000 0.834 296 D CB 0.014 40.805 40.800 -0.015 0.000 0.955 296 D HN 0.320 nan 8.370 nan 0.000 0.465 297 E N -0.081 120.091 120.200 -0.045 0.000 2.077 297 E HA -0.102 4.248 4.350 -0.001 0.000 0.193 297 E C 2.247 178.821 176.600 -0.044 0.000 0.989 297 E CA 0.538 56.926 56.400 -0.020 0.000 0.800 297 E CB -0.280 29.412 29.700 -0.014 0.000 0.746 297 E HN 0.204 nan 8.360 nan 0.000 0.452 298 S N 0.839 116.451 115.700 -0.146 0.000 2.348 298 S HA -0.102 4.367 4.470 -0.001 0.000 0.221 298 S C 2.148 176.633 174.600 -0.192 0.000 1.033 298 S CA 0.827 58.885 58.200 -0.237 0.000 1.010 298 S CB -0.222 62.772 63.200 -0.343 0.000 0.891 298 S HN 0.196 nan 8.310 nan 0.000 0.442 299 I N 1.228 121.605 120.570 -0.322 0.000 2.163 299 I HA -0.207 3.962 4.170 -0.001 0.000 0.243 299 I C 2.457 178.609 176.117 0.058 0.000 1.085 299 I CA 1.063 62.286 61.300 -0.128 0.000 1.347 299 I CB -0.404 37.487 38.000 -0.182 0.000 1.044 299 I HN 0.215 nan 8.210 nan 0.000 0.408 300 S N -0.335 115.385 115.700 0.034 0.000 2.368 300 S HA -0.244 4.225 4.470 -0.001 0.000 0.225 300 S C 1.939 176.624 174.600 0.142 0.000 1.030 300 S CA 1.293 59.548 58.200 0.091 0.000 0.999 300 S CB -0.485 62.758 63.200 0.073 0.000 0.844 300 S HN 0.432 nan 8.310 nan 0.000 0.459 301 Y N 0.883 121.184 120.300 0.001 0.000 2.128 301 Y HA -0.262 4.287 4.550 -0.001 0.000 0.284 301 Y C 2.039 177.942 175.900 0.006 0.000 1.154 301 Y CA 1.630 59.737 58.100 0.011 0.000 1.149 301 Y CB -0.400 37.987 38.460 -0.122 0.000 0.976 301 Y HN 0.209 nan 8.280 nan 0.000 0.505 302 Y N -1.069 119.379 120.300 0.245 0.000 2.181 302 Y HA -0.236 4.313 4.550 -0.001 0.000 0.288 302 Y C 2.536 178.490 175.900 0.089 0.000 1.146 302 Y CA 1.553 59.746 58.100 0.154 0.000 1.164 302 Y CB -0.991 37.553 38.460 0.139 0.000 0.982 302 Y HN -0.029 nan 8.280 nan 0.000 0.515 303 V N -0.025 120.038 119.914 0.249 0.000 2.343 303 V HA -0.238 3.881 4.120 -0.001 0.000 0.247 303 V C 2.173 178.404 176.094 0.228 0.000 1.051 303 V CA 2.005 64.449 62.300 0.240 0.000 1.036 303 V CB -0.391 31.547 31.823 0.192 0.000 0.654 303 V HN 0.364 nan 8.190 nan 0.000 0.451 304 E N -0.323 119.906 120.200 0.050 0.000 2.152 304 E HA -0.131 4.218 4.350 -0.001 0.000 0.192 304 E C 2.079 178.247 176.600 -0.720 0.000 0.983 304 E CA 0.744 57.055 56.400 -0.148 0.000 0.818 304 E CB -0.300 29.420 29.700 0.034 0.000 0.758 304 E HN 0.466 nan 8.360 nan 0.000 0.467 305 L N 0.547 121.258 121.223 -0.854 0.000 1.994 305 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 305 L C 2.282 178.985 176.870 -0.278 0.000 1.071 305 L CA 1.533 55.837 54.840 -0.893 0.000 0.745 305 L CB -0.769 41.062 42.059 -0.380 0.000 0.892 305 L HN 0.029 nan 8.230 nan 0.000 0.431 306 F N 0.487 120.374 119.950 -0.104 0.000 2.126 306 F HA -0.123 4.403 4.527 -0.002 0.000 0.299 306 F C 2.180 177.989 175.800 0.016 0.000 1.096 306 F CA 1.780 59.800 58.000 0.034 0.000 1.255 306 F CB -0.979 38.098 39.000 0.129 0.000 0.997 306 F HN 0.160 nan 8.300 nan 0.000 0.479 307 G N -0.257 108.528 108.800 -0.025 0.000 2.440 307 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.218 307 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.218 307 G C 1.706 176.388 174.900 -0.363 0.000 1.154 307 G CA 0.996 45.940 45.100 -0.259 0.000 0.767 307 G HN 0.285 nan 8.290 nan 0.000 0.552 308 R N -0.474 119.872 120.500 -0.258 0.000 2.153 308 R HA 0.173 4.513 4.340 -0.001 0.000 0.218 308 R C 1.977 178.309 176.300 0.054 0.000 1.072 308 R CA 0.409 56.491 56.100 -0.031 0.000 0.990 308 R CB -0.787 29.613 30.300 0.167 0.000 0.889 308 R HN 0.350 nan 8.270 nan 0.000 0.452 309 F N -0.052 119.702 119.950 -0.327 0.000 2.293 309 F HA 0.207 4.733 4.527 -0.001 0.000 0.297 309 F C 1.474 176.818 175.800 -0.759 0.000 1.089 309 F CA 1.176 58.777 58.000 -0.664 0.000 1.377 309 F CB -0.344 38.112 39.000 -0.906 0.000 1.051 309 F HN 0.257 nan 8.300 nan 0.000 0.511 310 G N 0.507 108.634 108.800 -1.122 0.000 2.574 310 G HA2 -0.374 3.585 3.960 -0.001 0.000 0.282 310 G HA3 -0.374 3.585 3.960 -0.001 0.000 0.282 310 G C 0.362 174.728 174.900 -0.890 0.000 1.257 310 G CA 0.252 44.331 45.100 -1.701 0.000 0.956 310 G HN 0.208 nan 8.290 nan 0.000 0.560 311 F N 2.647 122.180 119.950 -0.695 0.000 2.773 311 F HA 0.427 4.954 4.527 -0.001 0.000 0.304 311 F C 2.170 177.818 175.800 -0.253 0.000 1.129 311 F CA 0.791 58.722 58.000 -0.114 0.000 1.378 311 F CB 0.038 39.116 39.000 0.129 0.000 1.095 311 F HN 1.688 nan 8.300 nan 0.000 0.565 312 G N -0.134 108.272 108.800 -0.657 0.000 2.184 312 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.206 312 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.206 312 G C 0.807 175.483 174.900 -0.373 0.000 0.995 312 G CA 0.335 44.953 45.100 -0.803 0.000 0.651 312 G HN 0.372 nan 8.290 nan 0.000 0.511 313 T N -1.621 112.735 114.554 -0.330 0.000 3.248 313 T HA 0.625 4.974 4.350 -0.001 0.000 0.271 313 T C 1.016 175.584 174.700 -0.219 0.000 1.005 313 T CA 0.852 62.837 62.100 -0.190 0.000 0.902 313 T CB 0.858 69.690 68.868 -0.060 0.000 1.102 313 T HN 2.249 nan 8.240 nan 0.000 0.548 314 G N -0.459 108.133 108.800 -0.347 0.000 2.484 314 G HA2 0.384 4.343 3.960 -0.001 0.000 0.685 314 G HA3 0.384 4.343 3.960 -0.001 0.000 0.685 314 G C -0.144 174.476 174.900 -0.466 0.000 1.294 314 G CA -0.593 44.355 45.100 -0.253 0.000 0.879 314 G HN 0.718 nan 8.290 nan 0.000 0.646 315 G N -1.066 107.547 108.800 -0.313 0.000 2.503 315 G HA2 0.568 4.528 3.960 -0.001 0.000 0.257 315 G HA3 0.568 4.528 3.960 -0.001 0.000 0.257 315 G C 0.445 175.114 174.900 -0.387 0.000 1.214 315 G CA -0.290 44.553 45.100 -0.428 0.000 0.839 315 G HN 0.563 nan 8.290 nan 0.000 0.559 316 F N 0.220 119.952 119.950 -0.362 0.000 2.749 316 F HA 0.200 4.726 4.527 -0.001 0.000 0.300 316 F C 2.223 177.822 175.800 -0.336 0.000 1.103 316 F CA -0.518 57.308 58.000 -0.290 0.000 1.342 316 F CB 0.028 38.926 39.000 -0.170 0.000 1.098 316 F HN 0.473 nan 8.300 nan 0.000 0.586 317 K N 2.461 122.617 120.400 -0.407 0.000 2.052 317 K HA -0.185 4.134 4.320 -0.001 0.000 0.215 317 K C -0.899 175.485 176.600 -0.360 0.000 1.053 317 K CA 2.101 57.916 56.287 -0.786 0.000 0.934 317 K CB -1.708 30.488 32.500 -0.506 0.000 0.717 317 K HN 0.094 nan 8.250 nan 0.000 0.450 318 P HA -0.101 nan 4.420 nan 0.000 0.228 318 P C 0.497 177.811 177.300 0.023 0.000 1.151 318 P CA 1.143 64.239 63.100 -0.005 0.000 0.770 318 P CB 0.019 31.776 31.700 0.095 0.000 0.786 319 L N -2.688 118.533 121.223 -0.002 0.000 2.700 319 L HA 0.156 4.495 4.340 -0.001 0.000 0.234 319 L C 1.848 178.802 176.870 0.140 0.000 1.156 319 L CA -0.293 54.557 54.840 0.016 0.000 0.946 319 L CB -0.682 41.318 42.059 -0.099 0.000 1.216 319 L HN -0.166 nan 8.230 nan 0.000 0.493 320 Y N 1.142 121.439 120.300 -0.005 0.000 2.384 320 Y HA -0.147 4.402 4.550 -0.001 0.000 0.289 320 Y C 2.173 178.060 175.900 -0.022 0.000 1.152 320 Y CA 0.595 58.696 58.100 0.002 0.000 1.258 320 Y CB -0.436 38.044 38.460 0.033 0.000 0.979 320 Y HN 0.358 nan 8.280 nan 0.000 0.549 321 N N 0.679 119.445 118.700 0.109 0.000 2.412 321 N HA 0.025 4.764 4.740 -0.001 0.000 0.184 321 N C 0.812 176.306 175.510 -0.027 0.000 1.101 321 N CA 0.252 53.312 53.050 0.017 0.000 0.881 321 N CB -0.005 38.473 38.487 -0.015 0.000 0.969 321 N HN 0.421 nan 8.380 nan 0.000 0.459 322 I N -0.744 119.816 120.570 -0.016 0.000 2.892 322 I HA 0.070 4.239 4.170 -0.001 0.000 0.287 322 I C 0.890 176.992 176.117 -0.025 0.000 1.205 322 I CA -0.346 60.940 61.300 -0.022 0.000 1.409 322 I CB 0.573 38.570 38.000 -0.006 0.000 1.367 322 I HN -0.209 nan 8.210 nan 0.000 0.597 323 S N 3.628 119.325 115.700 -0.005 0.000 2.560 323 S HA 0.044 4.513 4.470 -0.001 0.000 0.284 323 S C 0.823 175.414 174.600 -0.015 0.000 1.327 323 S CA -0.558 57.637 58.200 -0.008 0.000 1.055 323 S CB 0.693 63.910 63.200 0.029 0.000 0.868 323 S HN 0.683 nan 8.310 nan 0.000 0.506 324 L N 6.677 127.863 121.223 -0.062 0.000 2.127 324 L HA -0.055 4.284 4.340 -0.001 0.000 0.211 324 L C 2.114 179.048 176.870 0.105 0.000 1.089 324 L CA 1.778 56.578 54.840 -0.068 0.000 0.757 324 L CB -0.724 41.182 42.059 -0.255 0.000 0.899 324 L HN 0.680 nan 8.230 nan 0.000 0.434 325 V N -0.403 119.596 119.914 0.141 0.000 2.332 325 V HA -0.301 3.818 4.120 -0.001 0.000 0.248 325 V C 2.610 178.859 176.094 0.259 0.000 1.055 325 V CA 1.939 64.382 62.300 0.238 0.000 1.038 325 V CB -0.692 31.152 31.823 0.035 0.000 0.651 325 V HN 0.541 nan 8.190 nan 0.000 0.450 326 E N -0.101 120.202 120.200 0.172 0.000 2.047 326 E HA -0.248 4.101 4.350 -0.001 0.000 0.191 326 E C 2.037 178.719 176.600 0.137 0.000 0.987 326 E CA 1.577 58.079 56.400 0.170 0.000 0.799 326 E CB -0.371 29.410 29.700 0.134 0.000 0.752 326 E HN 0.424 nan 8.360 nan 0.000 0.449 327 M N -0.277 119.368 119.600 0.075 0.000 2.108 327 M HA -0.093 4.386 4.480 -0.001 0.000 0.261 327 M C 2.052 178.405 176.300 0.088 0.000 1.066 327 M CA 1.597 56.908 55.300 0.018 0.000 1.107 327 M CB -0.369 32.195 32.600 -0.060 0.000 1.356 327 M HN 0.321 nan 8.290 nan 0.000 0.406 328 M N -0.162 119.531 119.600 0.154 0.000 2.159 328 M HA -0.113 4.366 4.480 -0.001 0.000 0.263 328 M C 1.952 178.336 176.300 0.139 0.000 1.063 328 M CA 1.751 57.150 55.300 0.164 0.000 1.110 328 M CB -0.394 32.322 32.600 0.195 0.000 1.374 328 M HN 0.265 nan 8.290 nan 0.000 0.411 329 R N -0.511 120.099 120.500 0.185 0.000 2.096 329 R HA -0.165 4.174 4.340 -0.001 0.000 0.240 329 R C 2.142 178.522 176.300 0.134 0.000 1.139 329 R CA 1.857 58.013 56.100 0.094 0.000 0.952 329 R CB -0.840 29.538 30.300 0.130 0.000 0.854 329 R HN 0.402 nan 8.270 nan 0.000 0.436 330 L N 0.180 121.504 121.223 0.168 0.000 2.109 330 L HA -0.122 4.217 4.340 -0.001 0.000 0.207 330 L C 2.371 179.355 176.870 0.191 0.000 1.086 330 L CA 0.936 55.918 54.840 0.237 0.000 0.760 330 L CB -0.313 41.877 42.059 0.219 0.000 0.910 330 L HN 0.178 nan 8.230 nan 0.000 0.437 331 I N -0.113 120.542 120.570 0.142 0.000 2.226 331 I HA -0.320 3.849 4.170 -0.001 0.000 0.245 331 I C 2.370 178.537 176.117 0.082 0.000 1.100 331 I CA 1.443 62.818 61.300 0.124 0.000 1.374 331 I CB -0.203 37.879 38.000 0.136 0.000 1.057 331 I HN 0.222 nan 8.210 nan 0.000 0.413 332 L N -1.031 120.242 121.223 0.083 0.000 2.141 332 L HA -0.173 4.166 4.340 -0.001 0.000 0.209 332 L C 1.218 178.175 176.870 0.145 0.000 1.094 332 L CA 0.636 55.533 54.840 0.095 0.000 0.763 332 L CB -0.450 41.631 42.059 0.036 0.000 0.908 332 L HN 0.393 nan 8.230 nan 0.000 0.437 333 W N 2.563 123.768 121.300 -0.159 0.000 1.395 333 W HA 0.122 4.781 4.660 -0.002 0.000 0.451 333 W C 0.237 176.606 176.519 -0.249 0.000 0.619 333 W CA -1.317 55.755 57.345 -0.456 0.000 2.212 333 W CB -0.774 28.518 29.460 -0.279 0.000 1.537 333 W HN -0.037 nan 8.180 nan 0.000 0.275 334 D N 2.340 122.640 120.400 -0.167 0.000 2.302 334 D HA 0.264 4.903 4.640 -0.001 0.000 0.248 334 D C -0.535 175.664 176.300 -0.168 0.000 1.094 334 D CA 0.344 54.235 54.000 -0.182 0.000 0.897 334 D CB 0.461 41.206 40.800 -0.091 0.000 1.200 334 D HN 0.212 nan 8.370 nan 0.000 0.429 335 Y N -0.519 119.650 120.300 -0.219 0.000 2.689 335 Y HA 0.454 5.003 4.550 -0.001 0.000 0.333 335 Y C 0.006 175.843 175.900 -0.106 0.000 1.208 335 Y CA -0.984 56.996 58.100 -0.199 0.000 1.055 335 Y CB 0.969 39.237 38.460 -0.319 0.000 1.304 335 Y HN 0.157 nan 8.280 nan 0.000 0.455 336 S N -0.120 115.687 115.700 0.179 0.000 2.539 336 S HA 0.371 4.840 4.470 -0.001 0.000 0.226 336 S C -0.439 174.262 174.600 0.168 0.000 1.054 336 S CA 0.059 58.322 58.200 0.105 0.000 0.910 336 S CB -0.214 63.023 63.200 0.062 0.000 0.818 336 S HN 0.661 nan 8.310 nan 0.000 0.490 337 N N 1.391 120.211 118.700 0.199 0.000 2.229 337 N HA 0.405 5.144 4.740 -0.001 0.000 0.298 337 N C -1.659 173.764 175.510 -0.145 0.000 1.114 337 N CA -0.377 52.659 53.050 -0.023 0.000 0.776 337 N CB 2.110 40.453 38.487 -0.241 0.000 1.501 337 N HN 0.305 nan 8.380 nan 0.000 0.474 338 E N 0.566 120.631 120.200 -0.225 0.000 2.244 338 E HA 0.509 4.858 4.350 -0.001 0.000 0.266 338 E C -1.120 175.312 176.600 -0.280 0.000 0.914 338 E CA -0.551 55.754 56.400 -0.159 0.000 0.794 338 E CB 1.889 31.555 29.700 -0.056 0.000 1.210 338 E HN 0.413 nan 8.360 nan 0.000 0.414 339 Y N -0.411 120.051 120.300 0.269 0.000 2.576 339 Y HA 0.392 4.941 4.550 -0.001 0.000 0.346 339 Y C 0.261 176.381 175.900 0.366 0.000 1.018 339 Y CA -0.937 57.371 58.100 0.347 0.000 1.050 339 Y CB 2.168 40.861 38.460 0.389 0.000 1.280 339 Y HN 0.466 nan 8.280 nan 0.000 0.474 340 T N -0.558 114.298 114.554 0.503 0.000 2.945 340 T HA 0.753 5.102 4.350 -0.001 0.000 0.286 340 T C -0.653 174.266 174.700 0.364 0.000 1.025 340 T CA -0.908 61.426 62.100 0.390 0.000 1.039 340 T CB 1.010 70.059 68.868 0.302 0.000 1.068 340 T HN 0.480 nan 8.240 nan 0.000 0.497 341 L N 1.831 123.214 121.223 0.267 0.000 2.399 341 L HA 0.443 4.782 4.340 -0.001 0.000 0.265 341 L C -1.794 175.010 176.870 -0.111 0.000 1.089 341 L CA -2.610 52.236 54.840 0.010 0.000 0.802 341 L CB 1.045 43.022 42.059 -0.137 0.000 1.180 341 L HN 0.540 nan 8.230 nan 0.000 0.454 342 P HA 0.102 nan 4.420 nan 0.000 0.230 342 P C -0.918 176.238 177.300 -0.241 0.000 1.791 342 P CA 0.082 63.044 63.100 -0.230 0.000 1.020 342 P CB -0.172 31.384 31.700 -0.240 0.000 1.977 343 V N -1.843 117.997 119.914 -0.122 0.000 3.078 343 V HA 0.476 4.595 4.120 -0.001 0.000 0.311 343 V C 1.114 177.215 176.094 0.011 0.000 1.138 343 V CA -0.659 61.622 62.300 -0.031 0.000 1.007 343 V CB 1.301 33.145 31.823 0.034 0.000 1.045 343 V HN -0.068 nan 8.190 nan 0.000 0.432 344 T N 0.846 115.414 114.554 0.023 0.000 2.851 344 T HA 0.145 4.494 4.350 -0.001 0.000 0.262 344 T C 0.408 175.115 174.700 0.011 0.000 1.043 344 T CA 1.517 63.623 62.100 0.010 0.000 1.140 344 T CB -0.176 68.693 68.868 0.001 0.000 0.872 344 T HN 0.813 nan 8.240 nan 0.000 0.446 345 E N 0.632 120.852 120.200 0.034 0.000 2.272 345 E HA 0.322 4.671 4.350 -0.001 0.000 0.269 345 E C -0.126 176.532 176.600 0.096 0.000 0.877 345 E CA -0.578 55.845 56.400 0.038 0.000 0.755 345 E CB 1.406 31.114 29.700 0.014 0.000 1.192 345 E HN -0.066 nan 8.360 nan 0.000 0.422 346 N N 1.198 119.974 118.700 0.126 0.000 2.453 346 N HA -0.119 4.620 4.740 -0.001 0.000 0.183 346 N C 1.617 177.244 175.510 0.195 0.000 1.041 346 N CA 0.437 53.621 53.050 0.223 0.000 0.900 346 N CB 0.162 38.820 38.487 0.285 0.000 0.961 346 N HN 0.246 nan 8.380 nan 0.000 0.443 347 V N 1.675 121.643 119.914 0.090 0.000 2.453 347 V HA -0.250 3.869 4.120 -0.001 0.000 0.252 347 V C 1.726 177.788 176.094 -0.054 0.000 1.068 347 V CA 1.759 64.058 62.300 -0.003 0.000 1.070 347 V CB -0.258 31.562 31.823 -0.005 0.000 0.664 347 V HN 0.287 nan 8.190 nan 0.000 0.461 348 E N -0.673 119.564 120.200 0.060 0.000 2.160 348 E HA -0.246 4.103 4.350 -0.001 0.000 0.195 348 E C 2.007 178.710 176.600 0.172 0.000 0.991 348 E CA 1.544 58.003 56.400 0.097 0.000 0.810 348 E CB -0.296 29.525 29.700 0.202 0.000 0.742 348 E HN 0.724 nan 8.360 nan 0.000 0.466 349 F N 1.740 121.759 119.950 0.115 0.000 2.075 349 F HA -0.205 4.321 4.527 -0.001 0.000 0.297 349 F C 1.871 177.565 175.800 -0.176 0.000 1.113 349 F CA 1.171 59.194 58.000 0.038 0.000 1.218 349 F CB -0.310 38.791 39.000 0.168 0.000 0.984 349 F HN -0.074 nan 8.300 nan 0.000 0.472 350 I N 0.473 120.911 120.570 -0.219 0.000 2.353 350 I HA -0.192 3.977 4.170 -0.001 0.000 0.248 350 I C 2.575 178.379 176.117 -0.522 0.000 1.119 350 I CA 1.129 62.178 61.300 -0.418 0.000 1.417 350 I CB -1.481 36.303 38.000 -0.360 0.000 1.078 350 I HN 0.183 nan 8.210 nan 0.000 0.421 351 R N 1.333 121.379 120.500 -0.756 0.000 2.073 351 R HA -0.182 4.157 4.340 -0.001 0.000 0.234 351 R C 2.038 178.239 176.300 -0.165 0.000 1.134 351 R CA 1.785 57.434 56.100 -0.752 0.000 0.952 351 R CB -0.075 29.876 30.300 -0.581 0.000 0.850 351 R HN 0.286 nan 8.270 nan 0.000 0.433 352 N N 0.609 119.213 118.700 -0.159 0.000 2.223 352 N HA -0.169 4.571 4.740 -0.001 0.000 0.185 352 N C 1.488 176.932 175.510 -0.111 0.000 1.016 352 N CA 0.836 53.801 53.050 -0.142 0.000 0.863 352 N CB -0.248 38.037 38.487 -0.336 0.000 0.983 352 N HN 0.165 nan 8.380 nan 0.000 0.429 353 L N -0.205 120.943 121.223 -0.125 0.000 2.093 353 L HA 0.016 4.355 4.340 -0.001 0.000 0.208 353 L C 1.913 178.810 176.870 0.045 0.000 1.085 353 L CA 1.192 55.962 54.840 -0.117 0.000 0.755 353 L CB -0.796 41.110 42.059 -0.255 0.000 0.904 353 L HN 0.086 nan 8.230 nan 0.000 0.435 354 F N -0.411 119.515 119.950 -0.041 0.000 2.102 354 F HA -0.230 4.297 4.527 -0.001 0.000 0.298 354 F C 2.032 177.878 175.800 0.076 0.000 1.105 354 F CA 1.797 59.843 58.000 0.078 0.000 1.239 354 F CB -0.313 38.826 39.000 0.231 0.000 0.991 354 F HN 0.037 nan 8.300 nan 0.000 0.474 355 L N -0.071 121.165 121.223 0.022 0.000 2.056 355 L HA -0.187 4.152 4.340 -0.001 0.000 0.207 355 L C 2.452 179.267 176.870 -0.092 0.000 1.078 355 L CA 1.506 56.293 54.840 -0.088 0.000 0.749 355 L CB -0.724 41.358 42.059 0.038 0.000 0.901 355 L HN 0.058 nan 8.230 nan 0.000 0.433 356 K N 0.643 121.035 120.400 -0.014 0.000 2.097 356 K HA -0.103 4.217 4.320 -0.001 0.000 0.206 356 K C 2.055 178.710 176.600 0.090 0.000 1.049 356 K CA 1.366 57.689 56.287 0.060 0.000 0.933 356 K CB -0.360 32.210 32.500 0.118 0.000 0.717 356 K HN 0.227 nan 8.250 nan 0.000 0.442 357 A N 0.620 123.505 122.820 0.109 0.000 1.917 357 A HA -0.279 4.040 4.320 -0.001 0.000 0.219 357 A C 2.095 179.587 177.584 -0.153 0.000 1.182 357 A CA 1.990 54.015 52.037 -0.020 0.000 0.633 357 A CB -0.606 18.386 19.000 -0.012 0.000 0.819 357 A HN 0.524 nan 8.150 nan 0.000 0.448 358 Q N -1.181 118.494 119.800 -0.208 0.000 2.119 358 Q HA -0.184 4.155 4.340 -0.001 0.000 0.201 358 Q C 2.127 178.052 176.000 -0.125 0.000 0.972 358 Q CA 1.431 57.114 55.803 -0.199 0.000 0.847 358 Q CB -0.254 28.321 28.738 -0.272 0.000 0.903 358 Q HN 0.804 nan 8.270 nan 0.000 0.433 359 N N 0.329 118.971 118.700 -0.098 0.000 2.058 359 N HA -0.171 4.568 4.740 -0.001 0.000 0.191 359 N C 1.751 177.219 175.510 -0.070 0.000 1.037 359 N CA 1.832 54.845 53.050 -0.063 0.000 0.848 359 N CB -0.031 38.436 38.487 -0.033 0.000 1.021 359 N HN 0.186 nan 8.380 nan 0.000 0.422 360 V N -2.135 117.721 119.914 -0.097 0.000 2.970 360 V HA 0.188 4.307 4.120 -0.001 0.000 0.260 360 V C 2.091 178.102 176.094 -0.139 0.000 1.100 360 V CA 1.654 63.875 62.300 -0.132 0.000 1.122 360 V CB -1.315 30.364 31.823 -0.241 0.000 0.721 360 V HN 0.301 nan 8.190 nan 0.000 0.483 361 G N 0.059 108.779 108.800 -0.133 0.000 2.471 361 G HA2 0.139 4.098 3.960 -0.001 0.000 0.219 361 G HA3 0.139 4.098 3.960 -0.001 0.000 0.219 361 G C 1.233 176.090 174.900 -0.071 0.000 1.125 361 G CA 0.691 45.728 45.100 -0.106 0.000 0.775 361 G HN 1.802 nan 8.290 nan 0.000 0.548 362 A N -1.627 121.156 122.820 -0.063 0.000 2.869 362 A HA 0.192 4.511 4.320 -0.001 0.000 0.280 362 A C 2.134 179.698 177.584 -0.033 0.000 1.458 362 A CA 1.653 53.664 52.037 -0.043 0.000 0.776 362 A CB -1.647 17.329 19.000 -0.040 0.000 1.028 362 A HN 2.346 nan 8.150 nan 0.000 0.547 363 G N -1.654 107.125 108.800 -0.035 0.000 2.234 363 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.260 363 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.260 363 G C 0.826 175.716 174.900 -0.017 0.000 0.987 363 G CA 1.104 46.190 45.100 -0.024 0.000 0.625 363 G HN 0.998 nan 8.290 nan 0.000 0.532 364 K N -0.692 119.697 120.400 -0.019 0.000 2.418 364 K HA 0.262 4.581 4.320 -0.001 0.000 0.195 364 K C 0.698 177.298 176.600 -0.000 0.000 1.035 364 K CA 0.254 56.539 56.287 -0.004 0.000 1.003 364 K CB 0.377 32.874 32.500 -0.004 0.000 0.793 364 K HN 0.474 nan 8.250 nan 0.000 0.494 365 L N 1.033 122.244 121.223 -0.021 0.000 2.305 365 L HA 0.294 4.633 4.340 -0.001 0.000 0.284 365 L C -1.044 175.813 176.870 -0.021 0.000 1.013 365 L CA -0.610 54.218 54.840 -0.021 0.000 0.819 365 L CB 1.763 43.790 42.059 -0.054 0.000 1.227 365 L HN -0.312 nan 8.230 nan 0.000 0.417 366 V N 5.944 125.860 119.914 0.003 0.000 2.448 366 V HA 0.582 4.701 4.120 -0.001 0.000 0.295 366 V C -0.478 175.627 176.094 0.018 0.000 1.025 366 V CA -0.605 61.698 62.300 0.005 0.000 0.859 366 V CB 1.916 33.750 31.823 0.018 0.000 0.988 366 V HN 0.544 nan 8.190 nan 0.000 0.431 367 V N 4.666 124.588 119.914 0.013 0.000 2.555 367 V HA 0.572 4.692 4.120 -0.001 0.000 0.302 367 V C -0.445 175.686 176.094 0.062 0.000 1.038 367 V CA -0.650 61.678 62.300 0.047 0.000 0.887 367 V CB 1.767 33.621 31.823 0.052 0.000 0.991 367 V HN 0.919 nan 8.190 nan 0.000 0.434 368 Q N 2.097 121.931 119.800 0.056 0.000 2.337 368 Q HA 0.665 5.004 4.340 -0.001 0.000 0.270 368 Q C -1.448 174.554 176.000 0.003 0.000 1.043 368 Q CA -0.432 55.388 55.803 0.028 0.000 0.794 368 Q CB 2.390 31.130 28.738 0.002 0.000 1.281 368 Q HN 0.640 nan 8.270 nan 0.000 0.446 369 V N 4.021 123.933 119.914 -0.003 0.000 2.509 369 V HA 0.494 4.613 4.120 -0.001 0.000 0.284 369 V C -0.330 175.721 176.094 -0.071 0.000 1.047 369 V CA -0.407 61.868 62.300 -0.041 0.000 0.952 369 V CB 1.432 33.223 31.823 -0.054 0.000 0.988 369 V HN 0.708 nan 8.190 nan 0.000 0.469 370 R N 3.301 123.728 120.500 -0.123 0.000 2.393 370 R HA 0.377 4.716 4.340 -0.001 0.000 0.315 370 R C -0.405 175.886 176.300 -0.015 0.000 0.952 370 R CA -0.516 55.479 56.100 -0.175 0.000 0.842 370 R CB 1.740 31.757 30.300 -0.472 0.000 1.163 370 R HN 0.684 nan 8.270 nan 0.000 0.450 371 Q N 3.235 122.983 119.800 -0.087 0.000 2.837 371 Q HA 0.062 4.401 4.340 -0.001 0.000 0.235 371 Q C -0.945 175.003 176.000 -0.087 0.000 1.348 371 Q CA 0.401 56.072 55.803 -0.219 0.000 0.990 371 Q CB 0.317 28.662 28.738 -0.655 0.000 1.570 371 Q HN 0.509 nan 8.270 nan 0.000 0.575 372 E N 1.665 121.898 120.200 0.055 0.000 2.356 372 E HA 0.340 4.689 4.350 -0.001 0.000 0.275 372 E C -1.317 175.417 176.600 0.224 0.000 0.904 372 E CA -0.928 55.560 56.400 0.146 0.000 0.757 372 E CB 2.152 31.969 29.700 0.195 0.000 1.232 372 E HN 0.251 nan 8.360 nan 0.000 0.442 373 R N 2.027 122.653 120.500 0.211 0.000 2.255 373 R HA 0.348 4.688 4.340 -0.001 0.000 0.326 373 R C -0.957 175.449 176.300 0.176 0.000 0.986 373 R CA -0.450 55.760 56.100 0.183 0.000 0.847 373 R CB 0.947 31.348 30.300 0.168 0.000 1.111 373 R HN 0.270 nan 8.270 nan 0.000 0.452 374 V N 4.806 124.769 119.914 0.081 0.000 2.555 374 V HA 0.160 4.279 4.120 -0.001 0.000 0.286 374 V C 0.910 177.030 176.094 0.044 0.000 1.044 374 V CA 0.591 62.879 62.300 -0.021 0.000 1.026 374 V CB 1.124 32.839 31.823 -0.180 0.000 0.981 374 V HN 1.052 nan 8.190 nan 0.000 0.480 375 A N 4.639 127.498 122.820 0.065 0.000 2.055 375 A HA 0.331 4.650 4.320 -0.001 0.000 0.205 375 A C 0.752 178.366 177.584 0.050 0.000 1.235 375 A CA 0.192 52.301 52.037 0.120 0.000 0.822 375 A CB 0.217 19.398 19.000 0.301 0.000 0.903 375 A HN 0.743 nan 8.150 nan 0.000 0.473 376 N N -1.058 117.646 118.700 0.006 0.000 2.308 376 N HA 0.554 5.293 4.740 -0.001 0.000 0.283 376 N C -1.303 174.151 175.510 -0.092 0.000 1.105 376 N CA -0.031 52.998 53.050 -0.034 0.000 0.840 376 N CB 2.206 40.706 38.487 0.021 0.000 1.633 376 N HN 0.250 nan 8.380 nan 0.000 0.476 377 A N 0.592 123.300 122.820 -0.186 0.000 2.365 377 A HA 0.881 5.200 4.320 -0.001 0.000 0.318 377 A C -0.209 177.130 177.584 -0.409 0.000 1.091 377 A CA -0.536 51.332 52.037 -0.282 0.000 0.763 377 A CB 0.744 19.462 19.000 -0.469 0.000 1.248 377 A HN 0.911 nan 8.150 nan 0.000 0.442 378 C N 0.098 119.181 119.300 -0.362 0.000 3.306 378 C HA 0.719 5.178 4.460 -0.001 0.000 0.335 378 C C -0.877 174.034 174.990 -0.130 0.000 1.382 378 C CA -0.945 57.873 59.018 -0.333 0.000 1.254 378 C CB 0.528 28.085 27.740 -0.306 0.000 1.555 378 C HN 0.922 nan 8.230 nan 0.000 0.463 379 H N 0.841 119.975 119.070 0.107 0.000 2.487 379 H HA 0.687 5.242 4.556 -0.001 0.000 0.333 379 H C -0.263 175.159 175.328 0.156 0.000 1.114 379 H CA 0.474 56.640 56.048 0.196 0.000 1.310 379 H CB 1.944 31.829 29.762 0.204 0.000 1.462 379 H HN 0.847 nan 8.280 nan 0.000 0.516 380 S N 2.079 117.933 115.700 0.257 0.000 2.594 380 S HA 0.539 5.008 4.470 -0.001 0.000 0.296 380 S C 0.269 175.015 174.600 0.242 0.000 1.124 380 S CA 0.349 58.685 58.200 0.226 0.000 1.011 380 S CB 0.766 64.064 63.200 0.163 0.000 1.016 380 S HN 1.144 nan 8.310 nan 0.000 0.485 381 G N 3.418 112.398 108.800 0.300 0.000 2.598 381 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.244 381 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.244 381 G C 0.406 175.422 174.900 0.193 0.000 1.302 381 G CA 0.582 45.829 45.100 0.245 0.000 0.903 381 G HN 1.776 nan 8.290 nan 0.000 0.575 382 T N -2.296 112.321 114.554 0.105 0.000 3.087 382 T HA 0.739 5.088 4.350 -0.001 0.000 0.283 382 T C 1.062 175.771 174.700 0.015 0.000 0.956 382 T CA 1.276 63.392 62.100 0.027 0.000 0.894 382 T CB 0.314 69.193 68.868 0.018 0.000 1.160 382 T HN 2.081 nan 8.240 nan 0.000 0.532 383 A N 2.037 124.875 122.820 0.030 0.000 2.260 383 A HA 0.656 4.975 4.320 -0.001 0.000 0.278 383 A C 2.029 179.608 177.584 -0.007 0.000 1.269 383 A CA 0.222 52.266 52.037 0.012 0.000 0.824 383 A CB 0.003 19.014 19.000 0.018 0.000 1.238 383 A HN 0.489 nan 8.150 nan 0.000 0.507 384 S N -1.060 114.625 115.700 -0.025 0.000 2.383 384 S HA 0.139 4.608 4.470 -0.001 0.000 0.227 384 S C 0.958 175.507 174.600 -0.086 0.000 1.026 384 S CA 1.018 59.184 58.200 -0.057 0.000 0.981 384 S CB -0.385 62.777 63.200 -0.064 0.000 0.818 384 S HN 1.632 nan 8.310 nan 0.000 0.472 385 A N 2.085 124.869 122.820 -0.061 0.000 3.079 385 A HA 0.549 4.868 4.320 -0.001 0.000 0.315 385 A C 1.172 178.744 177.584 -0.020 0.000 1.334 385 A CA -0.847 51.149 52.037 -0.068 0.000 1.048 385 A CB -0.145 18.808 19.000 -0.078 0.000 1.156 385 A HN 0.640 nan 8.150 nan 0.000 0.523 386 R N 0.276 120.776 120.500 -0.000 0.000 2.280 386 R HA 0.393 4.732 4.340 -0.001 0.000 0.195 386 R C 0.635 177.001 176.300 0.110 0.000 0.935 386 R CA 0.741 56.889 56.100 0.079 0.000 1.033 386 R CB 0.131 30.497 30.300 0.110 0.000 0.964 386 R HN 0.427 nan 8.270 nan 0.000 0.489 387 A N 2.598 125.427 122.820 0.015 0.000 2.350 387 A HA 0.213 4.532 4.320 -0.001 0.000 0.293 387 A C -0.580 177.058 177.584 0.090 0.000 1.231 387 A CA -0.490 51.500 52.037 -0.079 0.000 0.883 387 A CB 0.366 19.095 19.000 -0.452 0.000 1.133 387 A HN 0.204 nan 8.150 nan 0.000 0.533 388 Q N 1.965 121.848 119.800 0.138 0.000 2.274 388 Q HA 0.612 4.952 4.340 -0.001 0.000 0.260 388 Q C -1.036 175.042 176.000 0.131 0.000 0.974 388 Q CA -0.231 55.621 55.803 0.082 0.000 0.876 388 Q CB 2.124 30.735 28.738 -0.211 0.000 1.297 388 Q HN 0.698 nan 8.270 nan 0.000 0.446 389 L N 2.645 123.979 121.223 0.185 0.000 2.362 389 L HA 0.485 4.824 4.340 -0.001 0.000 0.275 389 L C -0.842 176.090 176.870 0.103 0.000 0.998 389 L CA -1.025 53.872 54.840 0.094 0.000 0.820 389 L CB 1.777 43.837 42.059 0.001 0.000 1.270 389 L HN 0.332 nan 8.230 nan 0.000 0.415 390 L N 3.432 124.684 121.223 0.049 0.000 2.296 390 L HA 0.688 5.027 4.340 -0.001 0.000 0.286 390 L C -0.095 176.714 176.870 -0.102 0.000 1.023 390 L CA 0.289 55.128 54.840 -0.002 0.000 0.812 390 L CB 1.626 43.725 42.059 0.066 0.000 1.223 390 L HN 0.746 nan 8.230 nan 0.000 0.421 391 S N 2.811 118.417 115.700 -0.157 0.000 2.618 391 S HA 0.742 5.211 4.470 -0.001 0.000 0.277 391 S C -1.346 173.090 174.600 -0.273 0.000 1.138 391 S CA -0.710 57.438 58.200 -0.086 0.000 0.844 391 S CB 1.363 64.679 63.200 0.194 0.000 1.127 391 S HN 0.360 nan 8.310 nan 0.000 0.474 392 Y N 0.976 121.382 120.300 0.177 0.000 2.425 392 Y HA 0.490 5.039 4.550 -0.001 0.000 0.344 392 Y C 0.072 176.074 175.900 0.171 0.000 0.969 392 Y CA -0.727 57.467 58.100 0.156 0.000 1.052 392 Y CB 1.465 39.976 38.460 0.085 0.000 1.215 392 Y HN 0.914 nan 8.280 nan 0.000 0.451 393 D N -0.935 119.671 120.400 0.343 0.000 2.478 393 D HA 0.127 4.766 4.640 -0.001 0.000 0.269 393 D C 1.114 177.468 176.300 0.090 0.000 1.232 393 D CA -0.271 53.834 54.000 0.174 0.000 1.059 393 D CB 0.412 41.311 40.800 0.166 0.000 1.104 393 D HN 0.393 nan 8.370 nan 0.000 0.566 394 S N -1.772 113.897 115.700 -0.053 0.000 2.469 394 S HA -0.201 4.268 4.470 -0.001 0.000 0.238 394 S C 0.958 175.586 174.600 0.047 0.000 0.998 394 S CA 0.796 58.961 58.200 -0.058 0.000 0.957 394 S CB -1.002 62.112 63.200 -0.144 0.000 0.764 394 S HN 0.602 nan 8.310 nan 0.000 0.514 395 H N 1.449 120.558 119.070 0.065 0.000 2.517 395 H HA 0.335 4.890 4.556 -0.001 0.000 0.282 395 H C 0.158 175.523 175.328 0.062 0.000 1.023 395 H CA -0.346 55.734 56.048 0.053 0.000 1.169 395 H CB 0.062 29.856 29.762 0.053 0.000 1.454 395 H HN 0.257 nan 8.280 nan 0.000 0.556 396 N N -0.004 118.808 118.700 0.186 0.000 2.753 396 N HA -0.160 4.579 4.740 -0.001 0.000 0.251 396 N C -0.023 175.622 175.510 0.224 0.000 1.097 396 N CA 0.728 53.867 53.050 0.150 0.000 0.786 396 N CB -1.194 37.316 38.487 0.038 0.000 1.137 396 N HN 0.447 nan 8.380 nan 0.000 0.566 397 A N 0.372 123.317 122.820 0.209 0.000 2.401 397 A HA 0.514 4.833 4.320 -0.001 0.000 0.259 397 A C 0.647 178.210 177.584 -0.035 0.000 1.103 397 A CA -0.190 51.895 52.037 0.081 0.000 0.789 397 A CB 1.104 20.114 19.000 0.017 0.000 1.035 397 A HN 0.128 nan 8.150 nan 0.000 0.491 398 V N 3.162 122.989 119.914 -0.145 0.000 2.649 398 V HA 0.432 4.551 4.120 -0.001 0.000 0.292 398 V C -0.436 175.278 176.094 -0.632 0.000 1.055 398 V CA 0.063 62.139 62.300 -0.374 0.000 1.023 398 V CB 0.699 32.387 31.823 -0.226 0.000 0.992 398 V HN 0.993 nan 8.190 nan 0.000 0.480 399 H N 2.940 121.887 119.070 -0.207 0.000 2.771 399 H HA 0.575 5.130 4.556 -0.001 0.000 0.361 399 H C -0.713 174.512 175.328 -0.172 0.000 1.108 399 H CA -0.317 55.656 56.048 -0.126 0.000 1.201 399 H CB 1.935 31.677 29.762 -0.034 0.000 1.681 399 H HN 0.644 nan 8.280 nan 0.000 0.534 400 S N 2.316 117.959 115.700 -0.095 0.000 2.500 400 S HA 0.475 4.944 4.470 -0.001 0.000 0.301 400 S C -1.129 173.468 174.600 -0.006 0.000 1.092 400 S CA -0.709 57.401 58.200 -0.150 0.000 1.030 400 S CB 0.702 63.525 63.200 -0.628 0.000 1.031 400 S HN 0.567 nan 8.310 nan 0.000 0.483 401 E N 1.459 121.704 120.200 0.075 0.000 2.356 401 E HA 0.629 4.978 4.350 -0.001 0.000 0.275 401 E C -1.134 175.397 176.600 -0.115 0.000 0.904 401 E CA -0.774 55.610 56.400 -0.026 0.000 0.757 401 E CB 2.082 31.819 29.700 0.061 0.000 1.232 401 E HN 0.650 nan 8.360 nan 0.000 0.442 402 A N 2.123 124.726 122.820 -0.363 0.000 2.350 402 A HA 0.808 5.128 4.320 -0.001 0.000 0.324 402 A C -1.531 175.684 177.584 -0.614 0.000 1.118 402 A CA -0.453 51.411 52.037 -0.288 0.000 0.783 402 A CB 0.755 19.695 19.000 -0.101 0.000 1.236 402 A HN 0.517 nan 8.150 nan 0.000 0.457 403 Y N -0.229 120.058 120.300 -0.023 0.000 2.609 403 Y HA 0.337 4.886 4.550 -0.001 0.000 0.342 403 Y C 0.591 176.395 175.900 -0.159 0.000 1.058 403 Y CA -0.836 57.231 58.100 -0.053 0.000 1.055 403 Y CB 1.689 40.135 38.460 -0.024 0.000 1.292 403 Y HN 0.685 nan 8.280 nan 0.000 0.476 404 D N 0.650 121.022 120.400 -0.047 0.000 2.103 404 D HA -0.007 4.632 4.640 -0.001 0.000 0.199 404 D C -0.459 175.359 176.300 -0.802 0.000 0.978 404 D CA 1.887 55.611 54.000 -0.461 0.000 0.829 404 D CB 0.189 40.716 40.800 -0.454 0.000 0.981 404 D HN 0.197 nan 8.370 nan 0.000 0.464 405 F N -0.868 119.149 119.950 0.112 0.000 2.613 405 F HA 0.431 4.957 4.527 -0.001 0.000 0.310 405 F C -0.390 175.376 175.800 -0.057 0.000 1.085 405 F CA -1.117 56.907 58.000 0.040 0.000 0.945 405 F CB 1.974 41.041 39.000 0.111 0.000 1.298 405 F HN -0.448 nan 8.300 nan 0.000 0.455 406 V N 3.300 123.234 119.914 0.033 0.000 2.709 406 V HA 0.499 4.618 4.120 -0.001 0.000 0.308 406 V C -0.553 175.648 176.094 0.178 0.000 1.062 406 V CA -0.735 61.540 62.300 -0.042 0.000 0.901 406 V CB 2.318 33.999 31.823 -0.237 0.000 1.003 406 V HN 0.575 nan 8.190 nan 0.000 0.425 407 I N 5.201 125.870 120.570 0.164 0.000 2.330 407 I HA 0.387 4.556 4.170 -0.001 0.000 0.289 407 I C -0.502 175.722 176.117 0.177 0.000 1.001 407 I CA -0.372 61.062 61.300 0.223 0.000 1.193 407 I CB 1.418 39.519 38.000 0.167 0.000 1.345 407 I HN 0.380 nan 8.210 nan 0.000 0.461 408 L N 6.961 128.307 121.223 0.206 0.000 2.302 408 L HA 0.408 4.747 4.340 -0.001 0.000 0.285 408 L C 0.727 177.699 176.870 0.170 0.000 1.090 408 L CA -0.166 54.761 54.840 0.145 0.000 0.866 408 L CB 0.684 42.803 42.059 0.100 0.000 1.244 408 L HN 0.695 nan 8.230 nan 0.000 0.435 409 A N 4.414 127.324 122.820 0.150 0.000 3.290 409 A HA 0.537 4.856 4.320 -0.001 0.000 0.297 409 A C -0.097 177.567 177.584 0.134 0.000 1.285 409 A CA -0.374 51.759 52.037 0.161 0.000 1.060 409 A CB -0.023 19.052 19.000 0.125 0.000 1.114 409 A HN 0.433 nan 8.150 nan 0.000 0.601 410 V N -2.339 117.676 119.914 0.168 0.000 2.789 410 V HA 0.778 4.897 4.120 -0.001 0.000 0.311 410 V C -2.981 173.200 176.094 0.145 0.000 1.073 410 V CA -2.431 59.938 62.300 0.116 0.000 0.921 410 V CB 2.218 34.091 31.823 0.084 0.000 1.009 410 V HN 0.280 nan 8.190 nan 0.000 0.426 411 P HA 0.203 nan 4.420 nan 0.000 0.274 411 P C 0.443 177.762 177.300 0.032 0.000 1.260 411 P CA 0.455 63.513 63.100 -0.069 0.000 0.793 411 P CB 0.418 32.035 31.700 -0.139 0.000 1.048 412 H N -1.549 117.536 119.070 0.026 0.000 2.387 412 H HA -0.092 4.463 4.556 -0.001 0.000 0.299 412 H C 1.099 176.481 175.328 0.091 0.000 1.090 412 H CA 1.661 57.803 56.048 0.157 0.000 1.332 412 H CB -0.871 28.979 29.762 0.147 0.000 1.386 412 H HN 0.233 nan 8.280 nan 0.000 0.516 413 D N 0.471 120.720 120.400 -0.252 0.000 2.224 413 D HA -0.100 4.539 4.640 -0.001 0.000 0.205 413 D C 2.004 178.288 176.300 -0.026 0.000 0.965 413 D CA 0.919 54.862 54.000 -0.096 0.000 0.852 413 D CB -0.072 40.625 40.800 -0.172 0.000 0.947 413 D HN 0.623 nan 8.370 nan 0.000 0.494 414 Q N -0.281 119.500 119.800 -0.031 0.000 2.187 414 Q HA -0.032 4.307 4.340 -0.001 0.000 0.199 414 Q C 1.989 178.009 176.000 0.035 0.000 0.957 414 Q CA 0.285 56.092 55.803 0.007 0.000 0.857 414 Q CB 0.145 28.886 28.738 0.006 0.000 0.929 414 Q HN 0.148 nan 8.270 nan 0.000 0.453 415 L N 0.422 121.687 121.223 0.070 0.000 2.109 415 L HA -0.101 4.238 4.340 -0.001 0.000 0.207 415 L C 2.032 178.918 176.870 0.027 0.000 1.086 415 L CA 1.745 56.624 54.840 0.064 0.000 0.760 415 L CB -0.708 41.429 42.059 0.131 0.000 0.910 415 L HN 0.081 nan 8.230 nan 0.000 0.437 416 T N 1.410 115.996 114.554 0.052 0.000 2.592 416 T HA -0.148 4.201 4.350 -0.001 0.000 0.267 416 T C -0.628 174.078 174.700 0.009 0.000 1.060 416 T CA 2.327 64.451 62.100 0.039 0.000 1.167 416 T CB -1.317 67.591 68.868 0.066 0.000 0.863 416 T HN 0.385 nan 8.240 nan 0.000 0.431 417 P HA 0.089 nan 4.420 nan 0.000 0.223 417 P C 1.374 178.662 177.300 -0.020 0.000 1.151 417 P CA 0.895 63.996 63.100 0.003 0.000 0.787 417 P CB -0.301 31.409 31.700 0.017 0.000 0.788 418 I N -0.358 120.191 120.570 -0.034 0.000 2.617 418 I HA -0.109 4.060 4.170 -0.001 0.000 0.256 418 I C 2.024 178.061 176.117 -0.133 0.000 1.167 418 I CA 1.118 62.376 61.300 -0.070 0.000 1.469 418 I CB -0.135 37.822 38.000 -0.071 0.000 1.098 418 I HN -0.111 nan 8.210 nan 0.000 0.436 419 V N -3.916 115.921 119.914 -0.129 0.000 3.502 419 V HA 0.231 4.350 4.120 -0.001 0.000 0.288 419 V C 1.516 177.516 176.094 -0.157 0.000 1.461 419 V CA 0.576 62.766 62.300 -0.184 0.000 1.029 419 V CB 0.163 31.869 31.823 -0.196 0.000 0.843 419 V HN 0.323 nan 8.190 nan 0.000 0.438 420 S N 0.071 115.704 115.700 -0.112 0.000 2.540 420 S HA 0.291 4.760 4.470 -0.001 0.000 0.222 420 S C 1.545 176.045 174.600 -0.167 0.000 1.008 420 S CA -0.193 57.949 58.200 -0.096 0.000 0.939 420 S CB -0.097 63.112 63.200 0.015 0.000 0.865 420 S HN 0.569 nan 8.310 nan 0.000 0.499 421 R N 0.741 121.150 120.500 -0.152 0.000 2.432 421 R HA 0.387 4.726 4.340 -0.001 0.000 0.260 421 R C 0.421 176.627 176.300 -0.156 0.000 0.935 421 R CA 0.131 56.158 56.100 -0.120 0.000 1.080 421 R CB 0.288 30.555 30.300 -0.055 0.000 1.155 421 R HN 0.249 nan 8.270 nan 0.000 0.531 422 S N 0.450 116.008 115.700 -0.237 0.000 2.575 422 S HA 0.233 4.702 4.470 -0.001 0.000 0.237 422 S C 0.655 175.059 174.600 -0.328 0.000 0.975 422 S CA 0.288 58.351 58.200 -0.229 0.000 0.960 422 S CB 0.937 64.014 63.200 -0.205 0.000 0.822 422 S HN 0.661 nan 8.310 nan 0.000 0.472 423 G N 1.605 110.101 108.800 -0.506 0.000 2.645 423 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.246 423 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.246 423 G C -0.237 174.071 174.900 -0.987 0.000 1.322 423 G CA 0.041 44.738 45.100 -0.672 0.000 0.898 423 G HN 0.410 nan 8.290 nan 0.000 0.573 424 F N 1.854 121.803 119.950 -0.002 0.000 2.817 424 F HA 0.431 4.957 4.527 -0.001 0.000 0.319 424 F C 0.861 176.682 175.800 0.035 0.000 1.136 424 F CA 0.517 58.525 58.000 0.014 0.000 1.177 424 F CB 0.639 39.647 39.000 0.013 0.000 1.088 424 F HN 0.886 nan 8.300 nan 0.000 0.520 425 E N -1.994 118.272 120.200 0.110 0.000 2.449 425 E HA 0.178 4.527 4.350 -0.001 0.000 0.278 425 E C -1.030 175.588 176.600 0.030 0.000 1.059 425 E CA -0.967 55.503 56.400 0.118 0.000 0.854 425 E CB 1.078 30.850 29.700 0.119 0.000 1.465 425 E HN 0.033 nan 8.360 nan 0.000 0.462 426 H N 0.424 119.437 119.070 -0.096 0.000 3.001 426 H HA 0.348 4.903 4.556 -0.001 0.000 0.334 426 H C -1.348 173.843 175.328 -0.228 0.000 1.034 426 H CA 1.104 56.941 56.048 -0.352 0.000 1.420 426 H CB 0.797 30.339 29.762 -0.368 0.000 1.405 426 H HN 0.590 nan 8.280 nan 0.000 0.593 427 A N 3.551 125.848 122.820 -0.870 0.000 2.414 427 A HA 0.566 4.885 4.320 -0.001 0.000 0.306 427 A C 0.709 177.892 177.584 -0.669 0.000 1.054 427 A CA -0.110 51.609 52.037 -0.529 0.000 0.724 427 A CB 1.229 20.060 19.000 -0.282 0.000 1.267 427 A HN 0.852 nan 8.150 nan 0.000 0.418 428 A N 1.242 123.889 122.820 -0.288 0.000 1.933 428 A HA 0.346 4.665 4.320 -0.001 0.000 0.218 428 A C 1.200 178.713 177.584 -0.119 0.000 1.175 428 A CA 2.010 53.969 52.037 -0.129 0.000 0.628 428 A CB -0.470 18.525 19.000 -0.008 0.000 0.814 428 A HN 2.265 nan 8.150 nan 0.000 0.444 429 S N -2.606 113.028 115.700 -0.109 0.000 2.567 429 S HA 0.622 5.091 4.470 -0.001 0.000 0.270 429 S C -1.388 173.181 174.600 -0.052 0.000 1.152 429 S CA -0.901 57.261 58.200 -0.063 0.000 0.835 429 S CB 1.178 64.355 63.200 -0.038 0.000 1.115 429 S HN 0.360 nan 8.310 nan 0.000 0.459 430 Q N 0.565 120.362 119.800 -0.005 0.000 2.345 430 Q HA 0.471 4.810 4.340 -0.001 0.000 0.275 430 Q C -1.660 174.362 176.000 0.037 0.000 1.063 430 Q CA -0.909 54.901 55.803 0.012 0.000 0.819 430 Q CB 1.978 30.728 28.738 0.021 0.000 1.356 430 Q HN 0.668 nan 8.270 nan 0.000 0.418 431 N N 2.728 121.436 118.700 0.014 0.000 2.645 431 N HA 0.326 5.065 4.740 -0.001 0.000 0.233 431 N C -0.936 174.607 175.510 0.055 0.000 1.058 431 N CA 0.023 53.075 53.050 0.004 0.000 0.942 431 N CB 0.549 39.029 38.487 -0.012 0.000 1.210 431 N HN 0.401 nan 8.380 nan 0.000 0.512 432 L N 0.576 121.868 121.223 0.117 0.000 2.375 432 L HA 0.808 5.147 4.340 -0.001 0.000 0.268 432 L C 1.159 178.122 176.870 0.156 0.000 1.058 432 L CA -0.511 54.422 54.840 0.155 0.000 0.803 432 L CB 1.374 43.588 42.059 0.259 0.000 1.212 432 L HN 0.562 nan 8.230 nan 0.000 0.451 433 G N 0.681 109.576 108.800 0.158 0.000 2.346 433 G HA2 -0.063 3.896 3.960 -0.001 0.000 0.294 433 G HA3 -0.063 3.896 3.960 -0.001 0.000 0.294 433 G C -1.606 173.418 174.900 0.207 0.000 1.294 433 G CA -0.803 44.439 45.100 0.236 0.000 0.962 433 G HN 0.459 nan 8.290 nan 0.000 0.508 434 D N 1.311 121.863 120.400 0.254 0.000 2.767 434 D HA 0.493 5.132 4.640 -0.001 0.000 0.241 434 D C 1.596 177.900 176.300 0.007 0.000 1.187 434 D CA 0.556 54.595 54.000 0.065 0.000 0.999 434 D CB 0.629 41.387 40.800 -0.069 0.000 1.042 434 D HN 0.743 nan 8.370 nan 0.000 0.510 435 A N 0.660 123.503 122.820 0.038 0.000 1.978 435 A HA -0.105 4.214 4.320 -0.001 0.000 0.220 435 A C 2.210 179.792 177.584 -0.005 0.000 1.170 435 A CA 1.755 53.803 52.037 0.018 0.000 0.636 435 A CB -0.457 18.558 19.000 0.024 0.000 0.810 435 A HN 0.448 nan 8.150 nan 0.000 0.448 436 G N -0.503 108.293 108.800 -0.007 0.000 2.471 436 G HA2 -0.018 3.941 3.960 -0.001 0.000 0.219 436 G HA3 -0.018 3.941 3.960 -0.001 0.000 0.219 436 G C 1.269 176.152 174.900 -0.028 0.000 1.125 436 G CA 0.776 45.868 45.100 -0.013 0.000 0.775 436 G HN 0.473 nan 8.290 nan 0.000 0.548 437 L N 0.424 121.617 121.223 -0.050 0.000 2.599 437 L HA 0.245 4.584 4.340 -0.001 0.000 0.230 437 L C 1.946 178.770 176.870 -0.076 0.000 1.141 437 L CA 0.337 55.132 54.840 -0.074 0.000 0.877 437 L CB -0.239 41.747 42.059 -0.121 0.000 1.009 437 L HN 0.319 nan 8.230 nan 0.000 0.447 438 G N 0.775 109.542 108.800 -0.055 0.000 2.160 438 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.251 438 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.251 438 G C 0.154 175.023 174.900 -0.051 0.000 1.008 438 G CA 0.053 45.128 45.100 -0.042 0.000 0.724 438 G HN 0.269 nan 8.290 nan 0.000 0.514 439 L N -0.327 120.844 121.223 -0.086 0.000 2.399 439 L HA 0.532 4.871 4.340 -0.001 0.000 0.265 439 L C 1.000 177.902 176.870 0.053 0.000 1.089 439 L CA -0.935 53.849 54.840 -0.093 0.000 0.802 439 L CB 1.000 42.806 42.059 -0.420 0.000 1.180 439 L HN 0.273 nan 8.230 nan 0.000 0.454 440 E N 0.678 120.967 120.200 0.149 0.000 2.384 440 E HA 0.078 4.427 4.350 -0.001 0.000 0.266 440 E C -0.541 176.177 176.600 0.195 0.000 1.012 440 E CA -0.327 56.160 56.400 0.146 0.000 0.901 440 E CB 0.867 30.640 29.700 0.121 0.000 0.967 440 E HN 0.625 nan 8.360 nan 0.000 0.435 441 T N 1.473 116.094 114.554 0.113 0.000 2.912 441 T HA 0.349 4.699 4.350 -0.001 0.000 0.280 441 T C -0.646 174.096 174.700 0.069 0.000 0.989 441 T CA -0.720 61.442 62.100 0.104 0.000 0.995 441 T CB 1.246 70.152 68.868 0.063 0.000 1.077 441 T HN 0.603 nan 8.240 nan 0.000 0.531 442 H N -0.698 118.320 119.070 -0.087 0.000 2.759 442 H HA 0.476 5.031 4.556 -0.001 0.000 0.354 442 H C -0.894 174.260 175.328 -0.289 0.000 1.074 442 H CA -0.400 55.516 56.048 -0.220 0.000 1.226 442 H CB 1.618 31.186 29.762 -0.322 0.000 1.648 442 H HN 0.750 nan 8.280 nan 0.000 0.529 443 T N 5.105 119.251 114.554 -0.680 0.000 2.817 443 T HA 0.212 4.561 4.350 -0.001 0.000 0.293 443 T C -0.939 173.436 174.700 -0.541 0.000 0.964 443 T CA -0.049 61.788 62.100 -0.438 0.000 1.085 443 T CB -0.014 68.681 68.868 -0.288 0.000 0.921 443 T HN 0.335 nan 8.240 nan 0.000 0.502 444 Y N 2.240 122.493 120.300 -0.078 0.000 2.429 444 Y HA 0.452 5.001 4.550 -0.001 0.000 0.342 444 Y C 0.566 176.445 175.900 -0.035 0.000 1.004 444 Y CA -1.207 56.889 58.100 -0.006 0.000 1.075 444 Y CB 1.449 39.942 38.460 0.056 0.000 1.214 444 Y HN 0.506 nan 8.280 nan 0.000 0.455 445 N N 2.212 121.008 118.700 0.160 0.000 2.430 445 N HA 0.211 4.950 4.740 -0.001 0.000 0.298 445 N C -0.989 174.554 175.510 0.056 0.000 1.130 445 N CA -0.609 52.482 53.050 0.068 0.000 0.894 445 N CB 1.028 39.550 38.487 0.059 0.000 1.209 445 N HN 0.548 nan 8.380 nan 0.000 0.503 446 Q N -0.990 118.788 119.800 -0.037 0.000 2.447 446 Q HA -0.137 4.202 4.340 -0.001 0.000 0.348 446 Q C -0.925 174.981 176.000 -0.156 0.000 1.421 446 Q CA 0.469 56.222 55.803 -0.082 0.000 0.978 446 Q CB -1.818 27.025 28.738 0.174 0.000 1.191 446 Q HN 0.344 nan 8.270 nan 0.000 0.371 447 V N 1.498 121.200 119.914 -0.353 0.000 2.546 447 V HA 0.421 4.540 4.120 -0.001 0.000 0.284 447 V C 0.161 176.021 176.094 -0.390 0.000 1.050 447 V CA -0.168 62.005 62.300 -0.210 0.000 0.981 447 V CB 0.651 32.378 31.823 -0.159 0.000 0.990 447 V HN 0.301 nan 8.190 nan 0.000 0.474 448 Y N 4.585 124.892 120.300 0.012 0.000 2.524 448 Y HA 0.525 5.074 4.550 -0.001 0.000 0.344 448 Y C -2.161 173.763 175.900 0.041 0.000 1.012 448 Y CA -3.002 55.129 58.100 0.051 0.000 1.068 448 Y CB 1.801 40.324 38.460 0.104 0.000 1.249 448 Y HN 0.427 nan 8.280 nan 0.000 0.468 449 P HA -0.012 nan 4.420 nan 0.000 0.268 449 P C -2.193 175.133 177.300 0.044 0.000 1.208 449 P CA -1.241 61.867 63.100 0.013 0.000 0.777 449 P CB 0.703 32.400 31.700 -0.004 0.000 0.875 450 P HA -0.038 nan 4.420 nan 0.000 0.216 450 P C 0.584 177.730 177.300 -0.258 0.000 1.153 450 P CA 1.416 64.109 63.100 -0.679 0.000 0.844 450 P CB 0.246 31.196 31.700 -1.249 0.000 0.787 451 L N 0.605 121.737 121.223 -0.152 0.000 2.466 451 L HA 0.238 4.577 4.340 -0.001 0.000 0.248 451 L C 0.340 177.286 176.870 0.127 0.000 1.240 451 L CA -0.824 54.020 54.840 0.007 0.000 1.180 451 L CB -0.273 41.686 42.059 -0.168 0.000 1.413 451 L HN -0.083 nan 8.230 nan 0.000 0.406 452 L N 2.519 123.814 121.223 0.119 0.000 2.282 452 L HA 0.227 4.566 4.340 -0.001 0.000 0.287 452 L C 0.606 177.468 176.870 -0.012 0.000 1.075 452 L CA 0.445 55.326 54.840 0.069 0.000 0.839 452 L CB 0.677 42.760 42.059 0.040 0.000 1.219 452 L HN 0.456 nan 8.230 nan 0.000 0.434 453 L N 2.426 123.680 121.223 0.052 0.000 2.513 453 L HA 0.311 4.650 4.340 -0.001 0.000 0.222 453 L C 0.579 177.466 176.870 0.028 0.000 1.096 453 L CA 0.247 55.109 54.840 0.037 0.000 0.857 453 L CB 0.137 42.248 42.059 0.087 0.000 1.026 453 L HN 0.683 nan 8.230 nan 0.000 0.469 454 S N -1.344 114.381 115.700 0.041 0.000 2.535 454 S HA 0.223 4.692 4.470 -0.001 0.000 0.272 454 S C -0.361 174.272 174.600 0.056 0.000 1.149 454 S CA -0.669 57.554 58.200 0.039 0.000 0.888 454 S CB 1.499 64.727 63.200 0.045 0.000 1.110 454 S HN 0.046 nan 8.310 nan 0.000 0.463 455 D N 2.014 122.439 120.400 0.042 0.000 2.355 455 D HA 0.084 4.723 4.640 -0.001 0.000 0.218 455 D C 1.396 177.741 176.300 0.075 0.000 1.004 455 D CA 1.035 55.075 54.000 0.067 0.000 0.880 455 D CB 0.444 41.264 40.800 0.033 0.000 0.911 455 D HN 0.547 nan 8.370 nan 0.000 0.528 456 S N -1.664 114.071 115.700 0.058 0.000 2.649 456 S HA 0.088 4.557 4.470 -0.001 0.000 0.246 456 S C 0.685 175.315 174.600 0.049 0.000 1.057 456 S CA -0.478 57.753 58.200 0.050 0.000 1.051 456 S CB 0.786 64.006 63.200 0.034 0.000 1.018 456 S HN -0.039 nan 8.310 nan 0.000 0.569 457 S N 2.786 118.517 115.700 0.052 0.000 2.577 457 S HA 0.547 5.016 4.470 -0.001 0.000 0.294 457 S C -2.231 172.402 174.600 0.056 0.000 1.161 457 S CA -1.565 56.661 58.200 0.043 0.000 1.143 457 S CB 1.140 64.358 63.200 0.030 0.000 0.991 457 S HN 0.031 nan 8.310 nan 0.000 0.475 458 P HA -0.054 nan 4.420 nan 0.000 0.218 458 P C 1.433 178.724 177.300 -0.015 0.000 1.148 458 P CA 1.144 64.294 63.100 0.084 0.000 0.822 458 P CB 0.118 31.875 31.700 0.095 0.000 0.784 459 A N 0.195 122.991 122.820 -0.041 0.000 1.908 459 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 459 A C 2.336 179.878 177.584 -0.070 0.000 1.181 459 A CA 2.204 54.188 52.037 -0.089 0.000 0.627 459 A CB -1.600 17.368 19.000 -0.053 0.000 0.818 459 A HN 0.208 nan 8.150 nan 0.000 0.445 460 A N 0.290 123.102 122.820 -0.013 0.000 1.902 460 A HA -0.213 4.106 4.320 -0.001 0.000 0.217 460 A C 1.915 179.517 177.584 0.031 0.000 1.181 460 A CA 1.857 53.902 52.037 0.015 0.000 0.623 460 A CB -0.639 18.383 19.000 0.037 0.000 0.818 460 A HN 0.557 nan 8.150 nan 0.000 0.443 461 N N 0.430 119.165 118.700 0.058 0.000 2.188 461 N HA -0.073 4.666 4.740 -0.001 0.000 0.184 461 N C 1.824 177.389 175.510 0.093 0.000 1.018 461 N CA 1.492 54.626 53.050 0.140 0.000 0.858 461 N CB -0.580 38.059 38.487 0.253 0.000 0.989 461 N HN 0.480 nan 8.380 nan 0.000 0.426 462 A N 1.487 124.177 122.820 -0.218 0.000 1.930 462 A HA -0.069 4.250 4.320 -0.001 0.000 0.217 462 A C 2.254 179.695 177.584 -0.237 0.000 1.175 462 A CA 0.868 52.516 52.037 -0.648 0.000 0.627 462 A CB -0.217 18.247 19.000 -0.892 0.000 0.815 462 A HN 0.047 nan 8.150 nan 0.000 0.443 463 R N -0.655 119.773 120.500 -0.119 0.000 2.083 463 R HA -0.156 4.183 4.340 -0.001 0.000 0.237 463 R C 1.993 178.293 176.300 -0.000 0.000 1.137 463 R CA 1.704 57.778 56.100 -0.044 0.000 0.951 463 R CB -1.040 29.256 30.300 -0.007 0.000 0.851 463 R HN 0.596 nan 8.270 nan 0.000 0.434 464 I N 0.483 121.070 120.570 0.028 0.000 2.226 464 I HA -0.203 3.966 4.170 -0.001 0.000 0.245 464 I C 2.065 178.179 176.117 -0.006 0.000 1.100 464 I CA 1.222 62.535 61.300 0.021 0.000 1.374 464 I CB -0.191 37.834 38.000 0.043 0.000 1.057 464 I HN -0.152 nan 8.210 nan 0.000 0.413 465 V N 0.730 120.669 119.914 0.042 0.000 2.358 465 V HA -0.255 3.864 4.120 -0.001 0.000 0.246 465 V C 2.652 178.785 176.094 0.065 0.000 1.047 465 V CA 2.261 64.609 62.300 0.080 0.000 1.035 465 V CB -1.434 30.549 31.823 0.266 0.000 0.658 465 V HN 0.685 nan 8.190 nan 0.000 0.452 466 T N -1.180 113.393 114.554 0.032 0.000 2.821 466 T HA -0.081 4.268 4.350 -0.001 0.000 0.267 466 T C 1.944 176.659 174.700 0.026 0.000 1.046 466 T CA 1.331 63.443 62.100 0.020 0.000 1.139 466 T CB -0.423 68.427 68.868 -0.029 0.000 0.871 466 T HN 0.431 nan 8.240 nan 0.000 0.454 467 A N 1.808 124.641 122.820 0.021 0.000 1.883 467 A HA 0.070 4.390 4.320 -0.001 0.000 0.217 467 A C 2.391 179.993 177.584 0.029 0.000 1.186 467 A CA 1.516 53.571 52.037 0.029 0.000 0.624 467 A CB -0.951 18.072 19.000 0.038 0.000 0.822 467 A HN 0.569 nan 8.150 nan 0.000 0.444 468 I N -0.247 120.345 120.570 0.038 0.000 2.208 468 I HA -0.232 3.937 4.170 -0.001 0.000 0.245 468 I C 2.565 178.744 176.117 0.103 0.000 1.097 468 I CA 1.285 62.636 61.300 0.084 0.000 1.363 468 I CB -0.464 37.574 38.000 0.063 0.000 1.051 468 I HN 0.409 nan 8.210 nan 0.000 0.413 469 G N -0.488 108.366 108.800 0.091 0.000 2.598 469 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.215 469 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.215 469 G C 1.292 176.252 174.900 0.101 0.000 1.131 469 G CA 0.296 45.464 45.100 0.113 0.000 0.785 469 G HN 0.314 nan 8.290 nan 0.000 0.539 470 Q N -0.075 119.757 119.800 0.053 0.000 2.155 470 Q HA 0.328 4.667 4.340 -0.001 0.000 0.220 470 Q C 0.384 176.381 176.000 -0.004 0.000 0.819 470 Q CA -0.194 55.635 55.803 0.043 0.000 1.032 470 Q CB 0.713 29.476 28.738 0.042 0.000 1.151 470 Q HN 0.388 nan 8.270 nan 0.000 0.487 471 L N 0.698 121.836 121.223 -0.142 0.000 2.452 471 L HA 0.180 4.519 4.340 -0.001 0.000 0.267 471 L C 0.790 177.583 176.870 -0.128 0.000 1.188 471 L CA -0.248 54.408 54.840 -0.306 0.000 0.821 471 L CB 0.368 41.931 42.059 -0.827 0.000 1.102 471 L HN 0.163 nan 8.230 nan 0.000 0.470 472 H N 2.843 121.856 119.070 -0.095 0.000 2.517 472 H HA 0.228 4.784 4.556 -0.001 0.000 0.317 472 H C -0.907 174.462 175.328 0.068 0.000 1.080 472 H CA -1.006 55.050 56.048 0.014 0.000 1.301 472 H CB 1.583 31.345 29.762 -0.001 0.000 1.425 472 H HN 0.382 nan 8.280 nan 0.000 0.471 473 M N 4.588 123.870 119.600 -0.530 0.000 2.084 473 M HA 0.280 4.760 4.480 -0.001 0.000 0.351 473 M C -0.443 175.328 176.300 -0.882 0.000 1.240 473 M CA -0.363 54.643 55.300 -0.490 0.000 1.083 473 M CB 0.338 32.729 32.600 -0.348 0.000 1.593 473 M HN 0.627 nan 8.290 nan 0.000 0.463 474 A N 5.787 128.222 122.820 -0.642 0.000 2.440 474 A HA 0.631 4.950 4.320 -0.001 0.000 0.251 474 A C -0.068 177.135 177.584 -0.635 0.000 1.089 474 A CA -0.376 51.359 52.037 -0.503 0.000 0.779 474 A CB 0.273 18.971 19.000 -0.503 0.000 1.022 474 A HN 0.732 nan 8.150 nan 0.000 0.492 475 R N 1.053 121.213 120.500 -0.567 0.000 2.732 475 R HA 0.742 5.081 4.340 -0.001 0.000 0.278 475 R C -0.447 175.533 176.300 -0.533 0.000 0.976 475 R CA -0.262 55.337 56.100 -0.835 0.000 0.963 475 R CB 1.633 30.962 30.300 -1.618 0.000 1.150 475 R HN 0.958 nan 8.270 nan 0.000 0.478 476 S N -0.841 114.588 115.700 -0.452 0.000 2.579 476 S HA 0.695 5.164 4.470 -0.001 0.000 0.272 476 S C -0.848 173.763 174.600 0.018 0.000 1.141 476 S CA -0.763 57.270 58.200 -0.278 0.000 0.843 476 S CB 2.159 65.010 63.200 -0.580 0.000 1.122 476 S HN 0.368 nan 8.310 nan 0.000 0.468 477 S N 0.337 116.066 115.700 0.049 0.000 2.570 477 S HA 0.702 5.171 4.470 -0.001 0.000 0.286 477 S C -1.282 173.293 174.600 -0.042 0.000 1.099 477 S CA -0.946 57.289 58.200 0.058 0.000 0.913 477 S CB 1.606 64.843 63.200 0.061 0.000 1.085 477 S HN 0.690 nan 8.310 nan 0.000 0.480 478 K N 1.250 121.611 120.400 -0.066 0.000 2.422 478 K HA 0.697 5.017 4.320 -0.001 0.000 0.251 478 K C -1.636 174.816 176.600 -0.246 0.000 0.933 478 K CA -0.756 55.365 56.287 -0.277 0.000 0.798 478 K CB 2.277 34.503 32.500 -0.457 0.000 1.238 478 K HN 0.329 nan 8.250 nan 0.000 0.428 479 V N 3.399 123.104 119.914 -0.349 0.000 2.487 479 V HA 0.499 4.618 4.120 -0.001 0.000 0.298 479 V C -1.107 174.785 176.094 -0.337 0.000 1.028 479 V CA -0.761 61.404 62.300 -0.225 0.000 0.860 479 V CB 0.870 32.618 31.823 -0.125 0.000 0.991 479 V HN 0.573 nan 8.190 nan 0.000 0.427 480 F N 2.533 122.374 119.950 -0.182 0.000 2.546 480 F HA 0.907 5.433 4.527 -0.001 0.000 0.320 480 F C 0.412 176.049 175.800 -0.272 0.000 1.076 480 F CA -0.270 57.490 58.000 -0.399 0.000 0.928 480 F CB 2.251 40.576 39.000 -1.125 0.000 1.189 480 F HN 0.643 nan 8.300 nan 0.000 0.465 481 A N 0.787 123.646 122.820 0.065 0.000 2.567 481 A HA 0.874 5.193 4.320 -0.001 0.000 0.289 481 A C -1.358 176.352 177.584 0.212 0.000 1.177 481 A CA -0.712 51.375 52.037 0.084 0.000 0.694 481 A CB 1.542 20.523 19.000 -0.032 0.000 1.292 481 A HN 0.548 nan 8.150 nan 0.000 0.425 482 T N 0.291 114.934 114.554 0.148 0.000 2.848 482 T HA 0.593 4.942 4.350 -0.001 0.000 0.285 482 T C -1.299 173.495 174.700 0.158 0.000 0.995 482 T CA -0.348 61.845 62.100 0.155 0.000 0.970 482 T CB 1.340 70.231 68.868 0.037 0.000 0.976 482 T HN 1.194 nan 8.240 nan 0.000 0.441 483 V N 3.366 123.421 119.914 0.234 0.000 2.823 483 V HA 0.537 4.656 4.120 -0.001 0.000 0.312 483 V C -0.729 175.531 176.094 0.277 0.000 1.072 483 V CA -1.065 61.376 62.300 0.234 0.000 0.937 483 V CB 1.890 33.801 31.823 0.146 0.000 1.013 483 V HN 0.680 nan 8.190 nan 0.000 0.430 484 K N 3.151 123.632 120.400 0.135 0.000 2.484 484 K HA 0.083 4.402 4.320 -0.001 0.000 0.280 484 K C 1.321 177.874 176.600 -0.079 0.000 1.013 484 K CA 0.549 56.732 56.287 -0.174 0.000 1.029 484 K CB 0.887 33.263 32.500 -0.206 0.000 0.902 484 K HN 0.884 nan 8.250 nan 0.000 0.481 485 T N 2.049 116.537 114.554 -0.109 0.000 2.759 485 T HA -0.206 4.143 4.350 -0.001 0.000 0.269 485 T C 1.767 176.425 174.700 -0.070 0.000 1.042 485 T CA 1.748 63.817 62.100 -0.052 0.000 1.140 485 T CB -0.004 68.834 68.868 -0.050 0.000 0.864 485 T HN 0.711 nan 8.240 nan 0.000 0.455 486 A N 1.329 124.086 122.820 -0.105 0.000 2.076 486 A HA 0.144 4.463 4.320 -0.001 0.000 0.220 486 A C 2.614 180.126 177.584 -0.120 0.000 1.160 486 A CA 1.628 53.600 52.037 -0.108 0.000 0.653 486 A CB -0.941 17.992 19.000 -0.112 0.000 0.801 486 A HN 0.524 nan 8.150 nan 0.000 0.455 487 A N -0.044 122.721 122.820 -0.093 0.000 1.978 487 A HA -0.075 4.244 4.320 -0.001 0.000 0.220 487 A C 1.979 179.457 177.584 -0.176 0.000 1.170 487 A CA 1.464 53.437 52.037 -0.107 0.000 0.636 487 A CB -0.581 18.426 19.000 0.011 0.000 0.810 487 A HN 0.519 nan 8.150 nan 0.000 0.448 488 L N -0.669 120.494 121.223 -0.099 0.000 2.456 488 L HA -0.093 4.246 4.340 -0.001 0.000 0.224 488 L C 0.862 177.623 176.870 -0.180 0.000 1.148 488 L CA 0.794 55.580 54.840 -0.091 0.000 0.825 488 L CB -0.240 41.807 42.059 -0.021 0.000 0.937 488 L HN 0.261 nan 8.230 nan 0.000 0.450 489 D N -1.033 119.241 120.400 -0.209 0.000 2.368 489 D HA 0.044 4.683 4.640 -0.001 0.000 0.218 489 D C 0.590 176.700 176.300 -0.318 0.000 1.112 489 D CA 0.072 53.938 54.000 -0.224 0.000 0.834 489 D CB 0.345 41.051 40.800 -0.155 0.000 0.953 489 D HN 0.248 nan 8.370 nan 0.000 0.505 490 Q N 1.002 120.495 119.800 -0.512 0.000 2.432 490 Q HA 0.023 4.362 4.340 -0.001 0.000 0.264 490 Q C -1.384 174.224 176.000 -0.654 0.000 1.035 490 Q CA -0.828 54.529 55.803 -0.744 0.000 0.908 490 Q CB 0.587 28.409 28.738 -1.525 0.000 1.280 490 Q HN 0.068 nan 8.270 nan 0.000 0.455 491 P HA -0.127 nan 4.420 nan 0.000 0.225 491 P C 0.792 178.017 177.300 -0.126 0.000 1.148 491 P CA 1.343 64.316 63.100 -0.213 0.000 0.779 491 P CB -0.110 31.554 31.700 -0.060 0.000 0.780 492 W N -0.879 120.411 121.300 -0.018 0.000 3.256 492 W HA 0.295 4.954 4.660 -0.001 0.000 0.269 492 W C -0.534 175.926 176.519 -0.099 0.000 1.310 492 W CA -0.311 57.029 57.345 -0.008 0.000 1.673 492 W CB -0.619 28.892 29.460 0.085 0.000 1.115 492 W HN -0.347 nan 8.180 nan 0.000 0.686 493 V N 5.626 125.388 119.914 -0.253 0.000 2.408 493 V HA 0.151 4.270 4.120 -0.001 0.000 0.267 493 V C -1.281 174.484 176.094 -0.547 0.000 1.047 493 V CA -1.465 60.559 62.300 -0.461 0.000 0.937 493 V CB 0.737 32.316 31.823 -0.407 0.000 0.999 493 V HN -0.217 nan 8.190 nan 0.000 0.472 494 P HA 0.278 nan 4.420 nan 0.000 0.274 494 P C -1.012 176.094 177.300 -0.322 0.000 1.246 494 P CA -0.471 62.321 63.100 -0.514 0.000 0.795 494 P CB 0.974 32.319 31.700 -0.592 0.000 1.006 495 Q N 0.101 119.814 119.800 -0.144 0.000 2.394 495 Q HA 0.497 4.836 4.340 -0.001 0.000 0.273 495 Q C -1.216 174.863 176.000 0.132 0.000 1.089 495 Q CA -0.488 55.289 55.803 -0.043 0.000 0.812 495 Q CB 3.051 31.749 28.738 -0.067 0.000 1.353 495 Q HN 0.633 nan 8.270 nan 0.000 0.438 496 W N 2.406 123.645 121.300 -0.102 0.000 3.425 496 W HA 0.232 4.892 4.660 -0.001 0.000 0.318 496 W C -0.733 175.749 176.519 -0.062 0.000 1.201 496 W CA -0.508 56.795 57.345 -0.071 0.000 1.212 496 W CB 1.234 30.652 29.460 -0.070 0.000 1.355 496 W HN 0.681 nan 8.180 nan 0.000 0.515 497 R N 2.893 122.832 120.500 -0.936 0.000 3.525 497 R HA -0.178 4.161 4.340 -0.001 0.000 0.276 497 R C 0.631 176.742 176.300 -0.314 0.000 1.116 497 R CA 1.440 57.144 56.100 -0.660 0.000 0.745 497 R CB -2.407 27.575 30.300 -0.531 0.000 1.185 497 R HN 1.403 nan 8.270 nan 0.000 0.454 498 G N -0.494 108.157 108.800 -0.248 0.000 2.198 498 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.260 498 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.260 498 G C -0.134 174.699 174.900 -0.112 0.000 1.025 498 G CA 0.793 45.801 45.100 -0.153 0.000 0.769 498 G HN 0.613 nan 8.290 nan 0.000 0.507 499 E N -0.547 119.595 120.200 -0.098 0.000 2.352 499 E HA 0.518 4.867 4.350 -0.001 0.000 0.280 499 E C -2.849 173.718 176.600 -0.055 0.000 0.930 499 E CA -2.315 54.043 56.400 -0.070 0.000 0.765 499 E CB 2.265 31.929 29.700 -0.061 0.000 1.219 499 E HN 0.030 nan 8.360 nan 0.000 0.434 500 P HA 0.067 nan 4.420 nan 0.000 0.269 500 P C -0.556 176.723 177.300 -0.035 0.000 1.209 500 P CA 0.233 63.284 63.100 -0.082 0.000 0.776 500 P CB 0.389 32.041 31.700 -0.080 0.000 0.876 501 I N 3.484 124.022 120.570 -0.053 0.000 2.517 501 I HA 0.005 4.174 4.170 -0.001 0.000 0.285 501 I C 1.373 177.580 176.117 0.150 0.000 1.106 501 I CA 0.621 61.949 61.300 0.045 0.000 1.402 501 I CB 0.215 38.251 38.000 0.060 0.000 1.399 501 I HN 0.303 nan 8.210 nan 0.000 0.535 502 K N 5.412 125.890 120.400 0.129 0.000 2.413 502 K HA 0.451 4.770 4.320 -0.001 0.000 0.204 502 K C -0.166 176.539 176.600 0.175 0.000 1.041 502 K CA -0.116 56.273 56.287 0.169 0.000 1.082 502 K CB 1.050 33.614 32.500 0.107 0.000 0.871 502 K HN 0.655 nan 8.250 nan 0.000 0.535 503 A N 0.866 123.757 122.820 0.119 0.000 2.486 503 A HA 0.663 4.982 4.320 -0.001 0.000 0.300 503 A C -1.229 176.359 177.584 0.006 0.000 1.048 503 A CA -0.585 51.505 52.037 0.087 0.000 0.696 503 A CB 1.771 20.782 19.000 0.019 0.000 1.278 503 A HN -0.055 nan 8.150 nan 0.000 0.405 504 V N 2.087 121.966 119.914 -0.058 0.000 2.612 504 V HA 0.473 4.592 4.120 -0.001 0.000 0.301 504 V C -0.803 175.315 176.094 0.039 0.000 1.059 504 V CA -0.536 61.687 62.300 -0.129 0.000 0.886 504 V CB 1.784 33.181 31.823 -0.710 0.000 1.007 504 V HN 0.747 nan 8.190 nan 0.000 0.426 505 V N 4.465 124.484 119.914 0.175 0.000 2.384 505 V HA 0.853 4.972 4.120 -0.001 0.000 0.287 505 V C 0.010 176.230 176.094 0.210 0.000 1.020 505 V CA -0.096 62.343 62.300 0.231 0.000 0.850 505 V CB 1.780 33.781 31.823 0.296 0.000 0.987 505 V HN 1.076 nan 8.190 nan 0.000 0.436 506 S N 1.819 117.603 115.700 0.139 0.000 2.596 506 S HA 0.433 4.902 4.470 -0.001 0.000 0.270 506 S C -0.365 174.246 174.600 0.018 0.000 1.155 506 S CA -0.547 57.666 58.200 0.023 0.000 0.827 506 S CB 2.032 65.296 63.200 0.105 0.000 1.130 506 S HN 0.730 nan 8.310 nan 0.000 0.467 507 D N 0.373 120.729 120.400 -0.074 0.000 2.336 507 D HA 0.066 4.705 4.640 -0.001 0.000 0.228 507 D C 1.429 177.684 176.300 -0.075 0.000 1.120 507 D CA 0.375 54.349 54.000 -0.043 0.000 0.839 507 D CB -0.319 40.452 40.800 -0.050 0.000 0.932 507 D HN 0.492 nan 8.370 nan 0.000 0.509 508 S N -0.951 114.716 115.700 -0.055 0.000 2.474 508 S HA 0.189 4.658 4.470 -0.001 0.000 0.235 508 S C 1.869 176.488 174.600 0.032 0.000 0.997 508 S CA 0.714 58.899 58.200 -0.025 0.000 0.949 508 S CB -0.348 62.920 63.200 0.113 0.000 0.766 508 S HN 0.567 nan 8.310 nan 0.000 0.517 509 G N 0.405 109.233 108.800 0.047 0.000 2.278 509 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.210 509 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.210 509 G C 0.504 175.449 174.900 0.075 0.000 1.000 509 G CA 0.136 45.266 45.100 0.051 0.000 0.635 509 G HN 0.410 nan 8.290 nan 0.000 0.495 510 L N 1.049 122.339 121.223 0.112 0.000 2.313 510 L HA 0.581 4.921 4.340 -0.001 0.000 0.214 510 L C 2.736 179.689 176.870 0.139 0.000 1.119 510 L CA 2.242 57.156 54.840 0.123 0.000 0.809 510 L CB -0.565 41.602 42.059 0.180 0.000 0.933 510 L HN 1.566 nan 8.230 nan 0.000 0.449 511 A N -0.810 122.096 122.820 0.143 0.000 1.344 511 A HA -0.236 4.083 4.320 -0.001 0.000 0.222 511 A C 0.938 178.627 177.584 0.175 0.000 0.364 511 A CA 1.563 53.692 52.037 0.153 0.000 1.096 511 A CB -1.868 17.238 19.000 0.175 0.000 1.468 511 A HN 0.902 nan 8.150 nan 0.000 0.722 512 A N -1.234 121.714 122.820 0.213 0.000 2.459 512 A HA 0.729 5.048 4.320 -0.001 0.000 0.296 512 A C -0.352 177.400 177.584 0.279 0.000 1.039 512 A CA 0.750 52.949 52.037 0.271 0.000 0.698 512 A CB 1.534 20.742 19.000 0.347 0.000 1.261 512 A HN 1.662 nan 8.150 nan 0.000 0.405 513 S N 1.010 116.879 115.700 0.282 0.000 2.575 513 S HA 0.838 5.307 4.470 -0.001 0.000 0.278 513 S C -1.242 173.546 174.600 0.314 0.000 1.139 513 S CA -0.475 57.840 58.200 0.193 0.000 0.954 513 S CB 1.092 64.416 63.200 0.206 0.000 1.054 513 S HN 1.215 nan 8.310 nan 0.000 0.483 514 Y N -1.551 118.829 120.300 0.133 0.000 2.641 514 Y HA 0.666 5.215 4.550 -0.002 0.000 0.333 514 Y C -1.058 174.913 175.900 0.119 0.000 1.174 514 Y CA -1.614 56.553 58.100 0.111 0.000 1.057 514 Y CB 0.179 38.684 38.460 0.074 0.000 1.322 514 Y HN 0.309 nan 8.280 nan 0.000 0.457 515 V N 2.848 122.910 119.914 0.246 0.000 2.655 515 V HA 0.289 4.408 4.120 -0.001 0.000 0.300 515 V C -0.050 176.135 176.094 0.150 0.000 1.044 515 V CA -0.326 62.073 62.300 0.165 0.000 1.095 515 V CB 0.868 32.771 31.823 0.133 0.000 0.952 515 V HN 0.624 nan 8.190 nan 0.000 0.485 516 V N 7.351 127.340 119.914 0.125 0.000 2.555 516 V HA 0.428 4.547 4.120 -0.001 0.000 0.302 516 V C -1.910 174.235 176.094 0.085 0.000 1.038 516 V CA -1.633 60.731 62.300 0.106 0.000 0.887 516 V CB 2.096 34.075 31.823 0.261 0.000 0.991 516 V HN 0.804 nan 8.190 nan 0.000 0.434 517 P HA 0.094 nan 4.420 nan 0.000 0.270 517 P C -0.438 176.919 177.300 0.094 0.000 1.223 517 P CA -0.148 62.983 63.100 0.051 0.000 0.785 517 P CB 0.536 32.267 31.700 0.052 0.000 0.923 518 S N 0.843 116.585 115.700 0.071 0.000 2.543 518 S HA 0.407 4.877 4.470 -0.001 0.000 0.299 518 S C -1.729 172.905 174.600 0.057 0.000 1.125 518 S CA -1.040 57.195 58.200 0.059 0.000 1.098 518 S CB -1.093 62.132 63.200 0.041 0.000 1.063 518 S HN 0.285 nan 8.310 nan 0.000 0.493 528 E N 0.083 120.264 120.200 -0.031 0.000 2.110 528 E HA -0.109 4.241 4.350 -0.001 0.000 0.193 528 E C -0.430 175.986 176.600 -0.307 0.000 0.988 528 E CA 1.141 57.444 56.400 -0.162 0.000 0.804 528 E CB 0.077 29.691 29.700 -0.144 0.000 0.745 528 E HN 0.439 nan 8.360 nan 0.000 0.458 529 Y N -0.906 119.395 120.300 0.003 0.000 2.562 529 Y HA 0.388 4.937 4.550 -0.002 0.000 0.343 529 Y C -0.332 175.582 175.900 0.022 0.000 1.025 529 Y CA -0.851 57.256 58.100 0.012 0.000 1.082 529 Y CB 2.426 40.890 38.460 0.008 0.000 1.264 529 Y HN -0.252 nan 8.280 nan 0.000 0.478 530 S N 0.281 116.115 115.700 0.224 0.000 2.542 530 S HA 0.481 4.950 4.470 -0.001 0.000 0.293 530 S C -0.990 173.721 174.600 0.185 0.000 1.089 530 S CA -0.966 57.328 58.200 0.158 0.000 0.961 530 S CB 1.661 64.931 63.200 0.116 0.000 1.062 530 S HN 0.505 nan 8.310 nan 0.000 0.483 531 S N 1.866 117.674 115.700 0.179 0.000 2.523 531 S HA 0.468 4.937 4.470 -0.001 0.000 0.275 531 S C -0.669 174.067 174.600 0.227 0.000 1.281 531 S CA -0.459 57.890 58.200 0.248 0.000 1.050 531 S CB 0.330 63.695 63.200 0.275 0.000 0.937 531 S HN 0.495 nan 8.310 nan 0.000 0.492 532 L N 4.773 126.136 121.223 0.232 0.000 2.305 532 L HA 0.567 4.906 4.340 -0.001 0.000 0.284 532 L C -1.014 175.903 176.870 0.078 0.000 1.013 532 L CA -0.733 54.197 54.840 0.149 0.000 0.819 532 L CB 1.318 43.460 42.059 0.138 0.000 1.227 532 L HN 0.544 nan 8.230 nan 0.000 0.417 533 L N 5.733 126.891 121.223 -0.107 0.000 2.302 533 L HA 0.474 4.813 4.340 -0.001 0.000 0.285 533 L C 1.161 177.868 176.870 -0.272 0.000 1.090 533 L CA 0.493 55.069 54.840 -0.440 0.000 0.866 533 L CB 0.501 42.130 42.059 -0.716 0.000 1.244 533 L HN 0.835 nan 8.230 nan 0.000 0.435 534 A N 3.041 125.761 122.820 -0.166 0.000 2.015 534 A HA 0.107 4.426 4.320 -0.001 0.000 0.219 534 A C 1.049 178.619 177.584 -0.024 0.000 1.163 534 A CA 1.121 53.140 52.037 -0.029 0.000 0.646 534 A CB -0.123 18.869 19.000 -0.014 0.000 0.806 534 A HN 0.672 nan 8.150 nan 0.000 0.448 535 S N -2.367 113.257 115.700 -0.126 0.000 2.563 535 S HA 0.492 4.961 4.470 -0.001 0.000 0.279 535 S C -1.617 172.950 174.600 -0.054 0.000 1.155 535 S CA -0.476 57.701 58.200 -0.038 0.000 0.928 535 S CB 0.841 64.022 63.200 -0.033 0.000 1.107 535 S HN 0.375 nan 8.310 nan 0.000 0.462 536 Y N 4.362 124.619 120.300 -0.072 0.000 2.332 536 Y HA 0.512 5.061 4.550 -0.001 0.000 0.326 536 Y C -0.151 175.749 175.900 -0.000 0.000 0.978 536 Y CA -0.627 57.425 58.100 -0.081 0.000 1.205 536 Y CB 1.273 39.743 38.460 0.017 0.000 1.131 536 Y HN 0.774 nan 8.280 nan 0.000 0.462 537 T N 0.760 115.441 114.554 0.212 0.000 2.885 537 T HA 0.507 4.856 4.350 -0.001 0.000 0.285 537 T C -1.183 173.503 174.700 -0.024 0.000 1.019 537 T CA -0.576 61.612 62.100 0.146 0.000 1.010 537 T CB 1.449 70.394 68.868 0.128 0.000 1.022 537 T HN 0.530 nan 8.240 nan 0.000 0.466 538 W N 1.277 122.626 121.300 0.082 0.000 2.689 538 W HA 0.587 5.246 4.660 -0.002 0.000 0.340 538 W C 0.663 177.202 176.519 0.034 0.000 1.060 538 W CA -0.318 57.048 57.345 0.036 0.000 1.218 538 W CB 0.935 30.391 29.460 -0.007 0.000 1.410 538 W HN 0.863 nan 8.180 nan 0.000 0.528 539 E N 0.293 120.635 120.200 0.237 0.000 3.374 539 E HA -0.345 4.004 4.350 -0.001 0.000 0.375 539 E C 0.970 177.681 176.600 0.185 0.000 1.535 539 E CA 2.026 58.526 56.400 0.167 0.000 1.664 539 E CB -1.032 28.774 29.700 0.178 0.000 1.707 539 E HN 0.568 nan 8.360 nan 0.000 0.469 540 D N 1.161 121.653 120.400 0.153 0.000 2.218 540 D HA -0.088 4.551 4.640 -0.001 0.000 0.204 540 D C 1.408 177.786 176.300 0.130 0.000 0.976 540 D CA 1.299 55.379 54.000 0.135 0.000 0.853 540 D CB -0.423 40.435 40.800 0.096 0.000 0.939 540 D HN 0.233 nan 8.370 nan 0.000 0.481 541 D N -0.381 120.103 120.400 0.141 0.000 2.218 541 D HA -0.099 4.540 4.640 -0.001 0.000 0.204 541 D C 2.007 178.386 176.300 0.131 0.000 0.976 541 D CA 0.836 54.912 54.000 0.127 0.000 0.853 541 D CB -0.218 40.673 40.800 0.151 0.000 0.939 541 D HN 0.227 nan 8.370 nan 0.000 0.481 542 S N -0.644 115.163 115.700 0.178 0.000 2.522 542 S HA -0.072 4.397 4.470 -0.001 0.000 0.227 542 S C 1.654 176.338 174.600 0.141 0.000 0.986 542 S CA 1.195 59.512 58.200 0.196 0.000 0.929 542 S CB -0.274 63.132 63.200 0.344 0.000 0.769 542 S HN 0.243 nan 8.310 nan 0.000 0.529 543 T N -1.809 112.822 114.554 0.128 0.000 3.129 543 T HA 0.397 4.747 4.350 -0.001 0.000 0.267 543 T C 1.320 176.032 174.700 0.019 0.000 1.018 543 T CA -0.610 61.517 62.100 0.044 0.000 0.903 543 T CB -0.025 68.891 68.868 0.081 0.000 1.067 543 T HN 0.261 nan 8.240 nan 0.000 0.549 544 R N 0.571 121.089 120.500 0.030 0.000 2.115 544 R HA 0.272 4.611 4.340 -0.001 0.000 0.226 544 R C 1.521 177.820 176.300 -0.003 0.000 1.100 544 R CA 0.761 56.872 56.100 0.018 0.000 0.980 544 R CB -0.267 30.050 30.300 0.028 0.000 0.875 544 R HN 0.394 nan 8.270 nan 0.000 0.445 545 L N 0.541 121.755 121.223 -0.014 0.000 2.612 545 L HA 0.118 4.457 4.340 -0.001 0.000 0.230 545 L C 1.246 178.090 176.870 -0.043 0.000 1.140 545 L CA -0.061 54.763 54.840 -0.026 0.000 0.896 545 L CB -0.191 41.849 42.059 -0.031 0.000 1.065 545 L HN 0.080 nan 8.230 nan 0.000 0.447 563 A N 1.663 124.507 122.820 0.040 0.000 1.902 563 A HA -0.014 4.305 4.320 -0.001 0.000 0.217 563 A C 1.852 179.477 177.584 0.069 0.000 1.181 563 A CA 2.351 54.418 52.037 0.049 0.000 0.623 563 A CB -1.014 18.041 19.000 0.092 0.000 0.818 563 A HN 1.002 nan 8.150 nan 0.000 0.443 564 D N -0.996 119.436 120.400 0.054 0.000 2.149 564 D HA 0.005 4.644 4.640 -0.001 0.000 0.201 564 D C 1.961 178.318 176.300 0.094 0.000 0.972 564 D CA 1.496 55.534 54.000 0.063 0.000 0.835 564 D CB -0.378 40.434 40.800 0.021 0.000 0.966 564 D HN 0.285 nan 8.370 nan 0.000 0.476 565 G N 0.257 109.090 108.800 0.054 0.000 2.446 565 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.217 565 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.217 565 G C 1.652 176.572 174.900 0.034 0.000 1.168 565 G CA 0.955 46.077 45.100 0.037 0.000 0.771 565 G HN 0.272 nan 8.290 nan 0.000 0.551 566 M N -1.019 118.599 119.600 0.029 0.000 2.175 566 M HA 0.013 4.493 4.480 -0.001 0.000 0.264 566 M C 2.385 178.699 176.300 0.023 0.000 1.063 566 M CA 1.174 56.476 55.300 0.004 0.000 1.119 566 M CB -0.384 32.202 32.600 -0.023 0.000 1.377 566 M HN 0.317 nan 8.290 nan 0.000 0.415 567 Y N 1.189 121.459 120.300 -0.050 0.000 2.181 567 Y HA -0.220 4.330 4.550 -0.001 0.000 0.288 567 Y C 2.385 178.258 175.900 -0.045 0.000 1.146 567 Y CA 1.756 59.824 58.100 -0.052 0.000 1.164 567 Y CB -0.111 38.323 38.460 -0.043 0.000 0.982 567 Y HN 0.050 nan 8.280 nan 0.000 0.515 568 R N -0.989 119.563 120.500 0.086 0.000 2.120 568 R HA -0.131 4.208 4.340 -0.001 0.000 0.234 568 R C 2.088 178.366 176.300 -0.037 0.000 1.123 568 R CA 1.789 57.900 56.100 0.018 0.000 0.975 568 R CB -0.519 29.812 30.300 0.052 0.000 0.866 568 R HN 0.301 nan 8.270 nan 0.000 0.446 569 T N 1.156 115.687 114.554 -0.038 0.000 2.788 569 T HA -0.174 4.175 4.350 -0.001 0.000 0.268 569 T C 1.678 176.341 174.700 -0.061 0.000 1.044 569 T CA 1.252 63.329 62.100 -0.039 0.000 1.139 569 T CB -0.067 68.778 68.868 -0.037 0.000 0.867 569 T HN 0.241 nan 8.240 nan 0.000 0.454 570 M N 0.990 120.513 119.600 -0.128 0.000 2.099 570 M HA -0.080 4.399 4.480 -0.001 0.000 0.262 570 M C 2.186 178.394 176.300 -0.153 0.000 1.067 570 M CA 1.463 56.669 55.300 -0.158 0.000 1.124 570 M CB -0.296 32.148 32.600 -0.260 0.000 1.353 570 M HN 0.092 nan 8.290 nan 0.000 0.410 571 V N 1.403 121.167 119.914 -0.249 0.000 2.392 571 V HA -0.288 3.831 4.120 -0.001 0.000 0.249 571 V C 2.018 178.191 176.094 0.131 0.000 1.059 571 V CA 2.195 64.405 62.300 -0.149 0.000 1.051 571 V CB -1.347 30.339 31.823 -0.228 0.000 0.658 571 V HN 0.591 nan 8.190 nan 0.000 0.455 572 N N 0.156 118.913 118.700 0.096 0.000 2.289 572 N HA -0.163 4.576 4.740 -0.001 0.000 0.184 572 N C 1.877 177.474 175.510 0.144 0.000 1.016 572 N CA 1.013 54.148 53.050 0.142 0.000 0.872 572 N CB -0.099 38.426 38.487 0.062 0.000 0.973 572 N HN 0.248 nan 8.380 nan 0.000 0.433 573 R N -0.031 120.528 120.500 0.098 0.000 2.148 573 R HA 0.084 4.423 4.340 -0.001 0.000 0.227 573 R C 1.688 178.085 176.300 0.162 0.000 1.103 573 R CA 0.945 57.102 56.100 0.095 0.000 0.983 573 R CB -0.825 29.510 30.300 0.059 0.000 0.874 573 R HN 0.285 nan 8.270 nan 0.000 0.451 574 A N 0.001 122.973 122.820 0.253 0.000 2.167 574 A HA -0.107 4.212 4.320 -0.001 0.000 0.214 574 A C 0.611 178.428 177.584 0.388 0.000 1.151 574 A CA -0.048 52.251 52.037 0.436 0.000 0.735 574 A CB -0.423 18.779 19.000 0.337 0.000 0.802 574 A HN 0.279 nan 8.150 nan 0.000 0.467 575 Y N 3.289 123.620 120.300 0.053 0.000 2.530 575 Y HA 0.285 4.834 4.550 -0.002 0.000 0.340 575 Y C 0.577 176.381 175.900 -0.160 0.000 1.247 575 Y CA -0.697 57.203 58.100 -0.333 0.000 1.727 575 Y CB -0.467 37.684 38.460 -0.515 0.000 1.613 575 Y HN 0.405 nan 8.280 nan 0.000 0.464 576 R N 2.901 123.156 120.500 -0.408 0.000 2.673 576 R HA 0.338 4.677 4.340 -0.001 0.000 0.281 576 R C -1.827 174.238 176.300 -0.392 0.000 0.991 576 R CA -1.017 54.881 56.100 -0.337 0.000 0.896 576 R CB 0.937 31.088 30.300 -0.248 0.000 1.201 576 R HN 0.304 nan 8.270 nan 0.000 0.457 577 Y N 1.216 121.306 120.300 -0.350 0.000 2.402 577 Y HA 0.223 4.773 4.550 -0.001 0.000 0.333 577 Y C 0.150 175.893 175.900 -0.263 0.000 1.076 577 Y CA 0.070 58.017 58.100 -0.255 0.000 1.299 577 Y CB 1.508 39.842 38.460 -0.210 0.000 1.197 577 Y HN 0.265 nan 8.280 nan 0.000 0.517 578 V N 4.943 124.757 119.914 -0.167 0.000 2.407 578 V HA 0.281 4.400 4.120 -0.001 0.000 0.291 578 V C -0.397 175.513 176.094 -0.306 0.000 1.018 578 V CA -1.293 60.800 62.300 -0.346 0.000 0.842 578 V CB 1.540 33.045 31.823 -0.531 0.000 0.996 578 V HN 0.474 nan 8.190 nan 0.000 0.426 579 K N 4.651 124.872 120.400 -0.298 0.000 2.276 579 K HA 0.454 4.773 4.320 -0.001 0.000 0.285 579 K C -1.367 175.064 176.600 -0.281 0.000 1.062 579 K CA 0.002 56.185 56.287 -0.173 0.000 0.918 579 K CB 0.307 32.753 32.500 -0.091 0.000 1.055 579 K HN 0.493 nan 8.250 nan 0.000 0.477 580 Y N 2.210 122.547 120.300 0.061 0.000 2.420 580 Y HA 0.372 4.921 4.550 -0.001 0.000 0.334 580 Y C 1.280 177.215 175.900 0.058 0.000 1.094 580 Y CA -0.419 57.724 58.100 0.070 0.000 1.126 580 Y CB 1.932 40.453 38.460 0.101 0.000 1.217 580 Y HN 0.730 nan 8.280 nan 0.000 0.462 581 A N 2.134 125.079 122.820 0.208 0.000 1.978 581 A HA -0.132 4.187 4.320 -0.001 0.000 0.220 581 A C 2.264 179.925 177.584 0.128 0.000 1.170 581 A CA 2.068 54.184 52.037 0.132 0.000 0.636 581 A CB -1.349 17.718 19.000 0.111 0.000 0.810 581 A HN 1.067 nan 8.150 nan 0.000 0.448 582 G N -0.155 108.735 108.800 0.150 0.000 2.587 582 G HA2 0.143 4.102 3.960 -0.001 0.000 0.217 582 G HA3 0.143 4.102 3.960 -0.001 0.000 0.217 582 G C 0.850 175.816 174.900 0.110 0.000 1.240 582 G CA 1.136 46.303 45.100 0.113 0.000 0.794 582 G HN 1.089 nan 8.290 nan 0.000 0.580 583 A N -0.199 122.706 122.820 0.142 0.000 2.290 583 A HA 0.569 4.888 4.320 -0.001 0.000 0.310 583 A C 1.451 179.107 177.584 0.119 0.000 1.202 583 A CA 0.591 52.704 52.037 0.127 0.000 0.837 583 A CB 1.195 20.284 19.000 0.148 0.000 1.139 583 A HN 0.762 nan 8.150 nan 0.000 0.509 584 S N 2.168 117.921 115.700 0.090 0.000 2.489 584 S HA -0.010 4.460 4.470 -0.001 0.000 0.228 584 S C 0.420 175.064 174.600 0.072 0.000 0.995 584 S CA 0.409 58.652 58.200 0.071 0.000 0.934 584 S CB -0.203 63.030 63.200 0.054 0.000 0.771 584 S HN 0.660 nan 8.310 nan 0.000 0.522 585 N N 2.109 120.864 118.700 0.091 0.000 2.446 585 N HA 0.553 5.292 4.740 -0.001 0.000 0.265 585 N C -0.682 174.912 175.510 0.140 0.000 0.975 585 N CA -0.084 53.024 53.050 0.097 0.000 0.928 585 N CB 1.775 40.317 38.487 0.091 0.000 1.160 585 N HN 0.386 nan 8.380 nan 0.000 0.495 586 A N 2.203 125.109 122.820 0.143 0.000 2.483 586 A HA 0.172 4.491 4.320 -0.001 0.000 0.238 586 A C 0.273 178.034 177.584 0.296 0.000 1.070 586 A CA 0.227 52.380 52.037 0.194 0.000 0.770 586 A CB 0.422 19.518 19.000 0.160 0.000 1.008 586 A HN 0.533 nan 8.150 nan 0.000 0.497 587 Q N 0.331 120.235 119.800 0.172 0.000 2.496 587 Q HA 0.495 4.834 4.340 -0.001 0.000 0.286 587 Q C -2.723 172.986 176.000 -0.484 0.000 1.103 587 Q CA -2.111 53.664 55.803 -0.047 0.000 0.813 587 Q CB 0.782 29.558 28.738 0.063 0.000 1.444 587 Q HN 0.423 nan 8.270 nan 0.000 0.443 588 P HA -0.070 nan 4.420 nan 0.000 0.266 588 P C -0.518 176.714 177.300 -0.114 0.000 1.195 588 P CA -0.098 62.565 63.100 -0.728 0.000 0.768 588 P CB 0.318 31.676 31.700 -0.569 0.000 0.838 589 W N 5.968 127.122 121.300 -0.243 0.000 2.343 589 W HA -0.054 4.605 4.660 -0.001 0.000 0.337 589 W C 1.365 177.929 176.519 0.075 0.000 1.320 589 W CA -0.830 56.495 57.345 -0.033 0.000 1.290 589 W CB -0.267 29.133 29.460 -0.101 0.000 1.206 589 W HN 0.603 nan 8.180 nan 0.000 0.565 590 W N 5.609 127.112 121.300 0.339 0.000 2.331 590 W HA -0.291 4.368 4.660 -0.002 0.000 0.291 590 W C 1.346 177.885 176.519 0.034 0.000 1.214 590 W CA 1.145 58.593 57.345 0.173 0.000 1.228 590 W CB -1.656 27.987 29.460 0.305 0.000 1.135 590 W HN 0.432 nan 8.180 nan 0.000 0.537 591 F N 1.463 120.455 119.950 -1.597 0.000 2.259 591 F HA -0.115 4.411 4.527 -0.002 0.000 0.298 591 F C 2.683 178.025 175.800 -0.764 0.000 1.088 591 F CA 1.177 58.189 58.000 -1.647 0.000 1.358 591 F CB -1.227 36.200 39.000 -2.621 0.000 1.040 591 F HN -0.077 nan 8.300 nan 0.000 0.505 592 Y N 1.153 121.090 120.300 -0.605 0.000 2.114 592 Y HA -0.318 4.232 4.550 -0.001 0.000 0.282 592 Y C 2.355 178.069 175.900 -0.309 0.000 1.165 592 Y CA 2.269 60.175 58.100 -0.323 0.000 1.148 592 Y CB -0.571 37.870 38.460 -0.032 0.000 0.972 592 Y HN 0.073 nan 8.280 nan 0.000 0.504 593 Q N -0.131 119.464 119.800 -0.340 0.000 2.124 593 Q HA -0.162 4.177 4.340 -0.001 0.000 0.202 593 Q C 2.338 178.136 176.000 -0.337 0.000 0.977 593 Q CA 1.461 56.939 55.803 -0.542 0.000 0.850 593 Q CB -0.827 27.339 28.738 -0.954 0.000 0.901 593 Q HN 0.546 nan 8.270 nan 0.000 0.429 594 L N 0.665 121.832 121.223 -0.095 0.000 2.017 594 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 594 L C 2.176 178.930 176.870 -0.194 0.000 1.073 594 L CA 1.447 56.346 54.840 0.099 0.000 0.745 594 L CB -0.736 41.423 42.059 0.166 0.000 0.894 594 L HN 0.126 nan 8.230 nan 0.000 0.432 595 L N -0.474 120.433 121.223 -0.527 0.000 2.079 595 L HA -0.203 4.136 4.340 -0.001 0.000 0.210 595 L C 2.533 179.312 176.870 -0.150 0.000 1.081 595 L CA 1.195 55.807 54.840 -0.379 0.000 0.752 595 L CB -0.918 40.797 42.059 -0.574 0.000 0.896 595 L HN 0.389 nan 8.230 nan 0.000 0.433 596 A N -0.938 121.697 122.820 -0.308 0.000 2.119 596 A HA -0.107 4.212 4.320 -0.001 0.000 0.217 596 A C 2.027 179.563 177.584 -0.080 0.000 1.153 596 A CA 0.918 52.820 52.037 -0.225 0.000 0.692 596 A CB -0.204 18.530 19.000 -0.443 0.000 0.799 596 A HN 0.283 nan 8.150 nan 0.000 0.458 597 E N 0.309 120.496 120.200 -0.023 0.000 2.482 597 E HA 0.145 4.495 4.350 -0.001 0.000 0.196 597 E C 0.919 177.551 176.600 0.054 0.000 1.047 597 E CA 0.546 56.983 56.400 0.062 0.000 0.869 597 E CB -0.440 29.356 29.700 0.159 0.000 0.836 597 E HN 0.564 nan 8.360 nan 0.000 0.520 598 A N 1.885 124.721 122.820 0.026 0.000 2.540 598 A HA 0.040 4.359 4.320 -0.001 0.000 0.239 598 A C 0.658 178.217 177.584 -0.042 0.000 1.061 598 A CA -0.111 51.921 52.037 -0.009 0.000 0.758 598 A CB -0.042 18.901 19.000 -0.096 0.000 0.991 598 A HN 0.156 nan 8.150 nan 0.000 0.502 599 R N 1.775 122.269 120.500 -0.010 0.000 2.640 599 R HA 0.077 4.417 4.340 -0.001 0.000 0.270 599 R C 0.719 176.959 176.300 -0.099 0.000 1.024 599 R CA 0.876 56.960 56.100 -0.026 0.000 1.085 599 R CB 0.197 30.463 30.300 -0.056 0.000 0.963 599 R HN 0.755 nan 8.270 nan 0.000 0.426 600 T N 3.200 117.709 114.554 -0.075 0.000 2.896 600 T HA -0.066 4.283 4.350 -0.001 0.000 0.263 600 T C 1.698 176.353 174.700 -0.075 0.000 1.050 600 T CA 1.194 63.241 62.100 -0.089 0.000 1.140 600 T CB -0.098 68.742 68.868 -0.046 0.000 0.877 600 T HN 0.736 nan 8.240 nan 0.000 0.457 601 A N 2.625 125.412 122.820 -0.055 0.000 1.902 601 A HA -0.118 4.201 4.320 -0.001 0.000 0.217 601 A C 1.679 179.255 177.584 -0.013 0.000 1.181 601 A CA 1.803 53.822 52.037 -0.029 0.000 0.623 601 A CB -0.361 18.619 19.000 -0.034 0.000 0.818 601 A HN 0.612 nan 8.150 nan 0.000 0.443 602 D N -1.206 119.177 120.400 -0.028 0.000 2.559 602 D HA 0.152 4.791 4.640 -0.001 0.000 0.234 602 D C 0.122 176.497 176.300 0.126 0.000 1.226 602 D CA -0.457 53.564 54.000 0.035 0.000 0.830 602 D CB -0.527 40.257 40.800 -0.028 0.000 1.028 602 D HN 0.280 nan 8.370 nan 0.000 0.492 603 R N 0.270 120.765 120.500 -0.009 0.000 2.570 603 R HA 0.380 4.719 4.340 -0.001 0.000 0.277 603 R C -0.817 175.583 176.300 0.167 0.000 1.039 603 R CA 0.034 56.084 56.100 -0.083 0.000 1.065 603 R CB 0.401 30.488 30.300 -0.354 0.000 0.964 603 R HN 0.140 nan 8.270 nan 0.000 0.428 604 F N 2.442 122.399 119.950 0.013 0.000 2.605 604 F HA 0.312 4.838 4.527 -0.001 0.000 0.320 604 F C -1.505 174.354 175.800 0.099 0.000 1.159 604 F CA -0.857 57.184 58.000 0.068 0.000 0.999 604 F CB 1.362 40.416 39.000 0.090 0.000 1.258 604 F HN 0.126 nan 8.300 nan 0.000 0.464 605 V N 6.788 126.310 119.914 -0.653 0.000 2.417 605 V HA 0.352 4.471 4.120 -0.001 0.000 0.291 605 V C -1.032 174.623 176.094 -0.732 0.000 1.024 605 V CA -0.596 61.402 62.300 -0.505 0.000 0.861 605 V CB 1.527 33.209 31.823 -0.236 0.000 0.985 605 V HN 0.600 nan 8.190 nan 0.000 0.436 606 F N 4.593 124.167 119.950 -0.627 0.000 2.300 606 F HA 0.462 4.988 4.527 -0.001 0.000 0.364 606 F C 0.050 175.740 175.800 -0.183 0.000 1.090 606 F CA -1.202 56.582 58.000 -0.360 0.000 1.200 606 F CB 0.588 39.525 39.000 -0.106 0.000 1.493 606 F HN 0.507 nan 8.300 nan 0.000 0.518 607 D N 5.613 125.776 120.400 -0.394 0.000 2.359 607 D HA 0.028 4.668 4.640 -0.001 0.000 0.230 607 D C 1.266 177.287 176.300 -0.466 0.000 1.118 607 D CA -0.536 53.245 54.000 -0.365 0.000 0.844 607 D CB 0.540 41.147 40.800 -0.321 0.000 1.059 607 D HN 0.660 nan 8.370 nan 0.000 0.493 608 W N 3.382 124.447 121.300 -0.392 0.000 2.392 608 W HA -0.185 4.474 4.660 -0.001 0.000 0.279 608 W C 0.952 177.322 176.519 -0.247 0.000 1.225 608 W CA 1.572 58.698 57.345 -0.365 0.000 1.233 608 W CB -1.398 27.911 29.460 -0.252 0.000 1.122 608 W HN 0.433 nan 8.180 nan 0.000 0.561 609 T N -2.057 111.808 114.554 -1.148 0.000 3.055 609 T HA 0.002 4.351 4.350 -0.001 0.000 0.265 609 T C 1.354 175.756 174.700 -0.498 0.000 1.111 609 T CA 1.565 63.028 62.100 -1.061 0.000 1.118 609 T CB -0.402 67.787 68.868 -1.130 0.000 0.909 609 T HN 0.058 nan 8.240 nan 0.000 0.501 610 T N 0.770 115.088 114.554 -0.393 0.000 2.971 610 T HA 0.296 4.645 4.350 -0.001 0.000 0.252 610 T C 0.583 175.167 174.700 -0.193 0.000 1.022 610 T CA -0.330 61.622 62.100 -0.248 0.000 0.980 610 T CB 0.089 68.825 68.868 -0.220 0.000 1.044 610 T HN 0.533 nan 8.240 nan 0.000 0.501 616 G N 0.200 108.958 108.800 -0.069 0.000 2.533 616 G HA2 0.979 4.938 3.960 -0.001 0.000 0.304 616 G HA3 0.979 4.938 3.960 -0.001 0.000 0.304 616 G C -0.905 173.967 174.900 -0.047 0.000 1.263 616 G CA -1.010 43.964 45.100 -0.210 0.000 0.964 616 G HN 1.320 nan 8.290 nan 0.000 0.479 617 F N -0.927 118.964 119.950 -0.100 0.000 2.631 617 F HA 0.711 5.237 4.527 -0.001 0.000 0.308 617 F C -0.325 175.471 175.800 -0.007 0.000 1.097 617 F CA -1.768 56.199 58.000 -0.055 0.000 0.952 617 F CB 1.777 40.748 39.000 -0.048 0.000 1.307 617 F HN 0.537 nan 8.300 nan 0.000 0.450 618 K N 2.230 122.817 120.400 0.312 0.000 2.451 618 K HA 0.458 4.777 4.320 -0.001 0.000 0.280 618 K C -1.750 175.031 176.600 0.300 0.000 1.020 618 K CA -0.191 56.233 56.287 0.227 0.000 1.008 618 K CB 0.558 33.141 32.500 0.139 0.000 0.917 618 K HN 0.790 nan 8.250 nan 0.000 0.478 619 L N 4.776 126.139 121.223 0.233 0.000 2.476 619 L HA 0.301 4.640 4.340 -0.001 0.000 0.269 619 L C -1.641 175.362 176.870 0.223 0.000 0.965 619 L CA -0.447 54.549 54.840 0.260 0.000 0.845 619 L CB 1.814 44.023 42.059 0.251 0.000 1.259 619 L HN 0.636 nan 8.230 nan 0.000 0.403 620 D N 5.628 126.126 120.400 0.164 0.000 2.348 620 D HA 0.332 4.971 4.640 -0.001 0.000 0.253 620 D C 0.408 176.743 176.300 0.059 0.000 1.161 620 D CA 0.059 54.131 54.000 0.120 0.000 0.876 620 D CB 0.816 41.702 40.800 0.143 0.000 1.160 620 D HN 0.366 nan 8.370 nan 0.000 0.459 621 M N 0.602 120.207 119.600 0.008 0.000 2.159 621 M HA 0.151 4.630 4.480 -0.001 0.000 0.293 621 M C 0.991 177.297 176.300 0.011 0.000 1.186 621 M CA -0.469 54.806 55.300 -0.041 0.000 1.073 621 M CB -0.148 32.388 32.600 -0.107 0.000 1.419 621 M HN 0.325 nan 8.290 nan 0.000 0.490 622 T N -1.373 113.179 114.554 -0.003 0.000 2.934 622 T HA 0.349 4.698 4.350 -0.001 0.000 0.306 622 T C 1.176 175.909 174.700 0.054 0.000 1.042 622 T CA 0.327 62.438 62.100 0.018 0.000 1.145 622 T CB 0.264 69.130 68.868 -0.002 0.000 0.982 622 T HN 0.994 nan 8.240 nan 0.000 0.544 623 G N 2.721 111.582 108.800 0.102 0.000 2.234 623 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.260 623 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.260 623 G C 0.643 175.691 174.900 0.247 0.000 0.987 623 G CA 0.371 45.584 45.100 0.189 0.000 0.625 623 G HN 0.717 nan 8.290 nan 0.000 0.532 624 D N -0.358 120.134 120.400 0.153 0.000 2.312 624 D HA 0.081 4.721 4.640 -0.001 0.000 0.211 624 D C 1.691 178.062 176.300 0.118 0.000 0.964 624 D CA 1.098 55.175 54.000 0.129 0.000 0.877 624 D CB -0.320 40.535 40.800 0.091 0.000 0.924 624 D HN 0.666 nan 8.370 nan 0.000 0.515 625 H N 0.433 119.510 119.070 0.012 0.000 2.357 625 H HA -0.183 4.372 4.556 -0.001 0.000 0.296 625 H C 1.484 176.753 175.328 -0.099 0.000 1.108 625 H CA 2.124 58.127 56.048 -0.075 0.000 1.273 625 H CB -0.155 29.440 29.762 -0.278 0.000 1.367 625 H HN 0.290 nan 8.280 nan 0.000 0.498 626 H N -1.156 117.953 119.070 0.065 0.000 2.457 626 H HA -0.046 4.509 4.556 -0.001 0.000 0.294 626 H C 2.111 177.440 175.328 0.003 0.000 1.064 626 H CA 1.350 57.417 56.048 0.031 0.000 1.330 626 H CB 0.171 29.981 29.762 0.080 0.000 1.395 626 H HN 0.426 nan 8.280 nan 0.000 0.541 627 Q N -0.261 119.598 119.800 0.099 0.000 2.134 627 Q HA -0.034 4.306 4.340 -0.001 0.000 0.195 627 Q C 2.580 178.603 176.000 0.038 0.000 0.958 627 Q CA 1.336 57.180 55.803 0.068 0.000 0.840 627 Q CB 0.077 28.850 28.738 0.058 0.000 0.918 627 Q HN 0.496 nan 8.270 nan 0.000 0.467 628 S N 0.417 116.122 115.700 0.008 0.000 2.383 628 S HA -0.137 4.332 4.470 -0.001 0.000 0.227 628 S C 1.746 176.336 174.600 -0.017 0.000 1.026 628 S CA 1.280 59.474 58.200 -0.011 0.000 0.981 628 S CB -0.441 62.739 63.200 -0.033 0.000 0.818 628 S HN 0.391 nan 8.310 nan 0.000 0.472 629 N N 0.845 119.529 118.700 -0.026 0.000 2.331 629 N HA -0.060 4.679 4.740 -0.001 0.000 0.180 629 N C 1.788 177.419 175.510 0.202 0.000 1.019 629 N CA 1.000 54.130 53.050 0.134 0.000 0.881 629 N CB -0.226 38.113 38.487 -0.247 0.000 0.972 629 N HN 0.389 nan 8.380 nan 0.000 0.435 630 L N 1.563 122.861 121.223 0.125 0.000 2.017 630 L HA -0.128 4.211 4.340 -0.001 0.000 0.208 630 L C 2.485 179.479 176.870 0.207 0.000 1.073 630 L CA 1.579 56.514 54.840 0.159 0.000 0.745 630 L CB -1.068 41.064 42.059 0.122 0.000 0.894 630 L HN 0.209 nan 8.230 nan 0.000 0.432 631 C N -0.768 118.640 119.300 0.180 0.000 2.413 631 C HA -0.212 4.247 4.460 -0.001 0.000 0.276 631 C C 2.575 177.763 174.990 0.330 0.000 1.236 631 C CA 0.949 60.087 59.018 0.200 0.000 1.735 631 C CB -1.499 26.383 27.740 0.236 0.000 2.031 631 C HN 0.683 nan 8.230 nan 0.000 0.474 632 F N 1.863 121.911 119.950 0.164 0.000 2.120 632 F HA -0.168 4.359 4.527 -0.001 0.000 0.300 632 F C 2.472 178.496 175.800 0.374 0.000 1.095 632 F CA 1.687 59.815 58.000 0.212 0.000 1.249 632 F CB -0.322 38.740 39.000 0.102 0.000 0.995 632 F HN 0.160 nan 8.300 nan 0.000 0.480 633 R N -1.687 118.977 120.500 0.275 0.000 2.300 633 R HA -0.075 4.264 4.340 -0.001 0.000 0.199 633 R C 1.844 178.142 176.300 -0.002 0.000 0.920 633 R CA 0.450 56.591 56.100 0.068 0.000 1.046 633 R CB -0.612 29.766 30.300 0.130 0.000 0.984 633 R HN 0.411 nan 8.270 nan 0.000 0.493 634 Y N 2.622 122.979 120.300 0.095 0.000 2.139 634 Y HA -0.344 4.205 4.550 -0.001 0.000 0.282 634 Y C 2.513 178.481 175.900 0.115 0.000 1.179 634 Y CA 2.199 60.367 58.100 0.114 0.000 1.161 634 Y CB -0.299 38.236 38.460 0.124 0.000 0.970 634 Y HN 0.250 nan 8.280 nan 0.000 0.511 635 H N -1.403 117.645 119.070 -0.037 0.000 2.518 635 H HA -0.075 4.481 4.556 -0.001 0.000 0.289 635 H C 1.742 176.908 175.328 -0.270 0.000 1.051 635 H CA 1.476 57.454 56.048 -0.116 0.000 1.280 635 H CB -1.687 28.141 29.762 0.110 0.000 1.380 635 H HN 0.485 nan 8.280 nan 0.000 0.566 636 T N -0.321 113.840 114.554 -0.656 0.000 3.155 636 T HA -0.168 4.181 4.350 -0.001 0.000 0.264 636 T C 1.608 176.148 174.700 -0.267 0.000 1.160 636 T CA 0.859 62.708 62.100 -0.419 0.000 1.075 636 T CB -0.925 67.740 68.868 -0.338 0.000 0.921 636 T HN 0.756 nan 8.240 nan 0.000 0.533 637 H N 1.167 120.079 119.070 -0.264 0.000 2.489 637 H HA 0.270 4.825 4.556 -0.001 0.000 0.295 637 H C 2.123 177.388 175.328 -0.105 0.000 1.082 637 H CA 0.879 56.794 56.048 -0.222 0.000 1.295 637 H CB -0.886 28.652 29.762 -0.373 0.000 1.380 637 H HN 0.456 nan 8.280 nan 0.000 0.548 638 A N 1.292 123.913 122.820 -0.331 0.000 2.125 638 A HA -0.031 4.288 4.320 -0.001 0.000 0.219 638 A C 2.268 179.845 177.584 -0.012 0.000 1.156 638 A CA 1.229 53.222 52.037 -0.074 0.000 0.671 638 A CB -0.836 18.132 19.000 -0.054 0.000 0.794 638 A HN 0.509 nan 8.150 nan 0.000 0.459 639 L N -0.929 120.269 121.223 -0.042 0.000 2.275 639 L HA -0.025 4.314 4.340 -0.001 0.000 0.215 639 L C 1.542 178.415 176.870 0.004 0.000 1.119 639 L CA 0.473 55.300 54.840 -0.022 0.000 0.790 639 L CB -0.357 41.680 42.059 -0.036 0.000 0.919 639 L HN 0.380 nan 8.230 nan 0.000 0.443 640 A N -0.127 122.705 122.820 0.021 0.000 2.391 640 A HA 0.558 4.877 4.320 -0.001 0.000 0.316 640 A C 1.240 178.844 177.584 0.034 0.000 1.381 640 A CA 0.251 52.302 52.037 0.024 0.000 0.998 640 A CB 0.574 19.588 19.000 0.023 0.000 1.147 640 A HN 0.254 nan 8.150 nan 0.000 0.545 641 A N 2.412 125.248 122.820 0.026 0.000 1.877 641 A HA -0.097 4.222 4.320 -0.001 0.000 0.216 641 A C 2.430 180.026 177.584 0.020 0.000 1.186 641 A CA 2.203 54.260 52.037 0.033 0.000 0.620 641 A CB -0.787 18.229 19.000 0.027 0.000 0.822 641 A HN 1.506 nan 8.150 nan 0.000 0.443 642 S N -0.642 115.060 115.700 0.003 0.000 2.481 642 S HA -0.059 4.410 4.470 -0.001 0.000 0.231 642 S C 1.749 176.321 174.600 -0.045 0.000 0.996 642 S CA 1.149 59.340 58.200 -0.016 0.000 0.942 642 S CB -0.465 62.725 63.200 -0.016 0.000 0.768 642 S HN 0.361 nan 8.310 nan 0.000 0.520 643 L N 2.431 123.631 121.223 -0.039 0.000 2.046 643 L HA 0.038 4.377 4.340 -0.001 0.000 0.208 643 L C 0.719 177.506 176.870 -0.138 0.000 1.077 643 L CA 2.077 56.868 54.840 -0.082 0.000 0.747 643 L CB -1.102 40.931 42.059 -0.043 0.000 0.896 643 L HN 0.425 nan 8.230 nan 0.000 0.432 644 D N -0.052 120.316 120.400 -0.054 0.000 2.723 644 D HA -0.260 4.379 4.640 -0.001 0.000 0.236 644 D C -0.212 176.040 176.300 -0.081 0.000 1.138 644 D CA 0.550 54.530 54.000 -0.032 0.000 0.676 644 D CB -1.626 39.125 40.800 -0.081 0.000 1.069 644 D HN 0.520 nan 8.370 nan 0.000 0.430 645 N N 0.637 119.310 118.700 -0.045 0.000 2.470 645 N HA 0.116 4.855 4.740 -0.001 0.000 0.268 645 N C 0.690 176.342 175.510 0.238 0.000 1.136 645 N CA -0.027 53.001 53.050 -0.038 0.000 0.961 645 N CB 0.584 38.813 38.487 -0.430 0.000 1.067 645 N HN 0.091 nan 8.380 nan 0.000 0.468 646 R N 2.846 123.608 120.500 0.436 0.000 2.362 646 R HA 0.187 4.526 4.340 -0.001 0.000 0.227 646 R C -0.464 175.843 176.300 0.012 0.000 0.905 646 R CA -0.017 56.257 56.100 0.289 0.000 1.067 646 R CB -0.225 30.099 30.300 0.040 0.000 1.078 646 R HN 0.415 nan 8.270 nan 0.000 0.516 647 F N 0.202 120.160 119.950 0.013 0.000 2.458 647 F HA 0.448 4.974 4.527 -0.001 0.000 0.336 647 F C 0.072 175.749 175.800 -0.205 0.000 1.114 647 F CA -0.910 57.083 58.000 -0.010 0.000 0.987 647 F CB 1.093 40.067 39.000 -0.044 0.000 1.130 647 F HN -0.252 nan 8.300 nan 0.000 0.458 648 F N 3.390 123.639 119.950 0.498 0.000 2.579 648 F HA 0.685 5.211 4.527 -0.001 0.000 0.324 648 F C -0.058 175.928 175.800 0.310 0.000 1.058 648 F CA -1.317 56.959 58.000 0.461 0.000 0.944 648 F CB 1.880 41.031 39.000 0.251 0.000 1.245 648 F HN 0.245 nan 8.300 nan 0.000 0.477 649 I N 0.316 121.134 120.570 0.413 0.000 2.569 649 I HA 0.956 5.125 4.170 -0.001 0.000 0.296 649 I C -1.240 175.055 176.117 0.296 0.000 1.028 649 I CA -0.950 60.450 61.300 0.166 0.000 1.082 649 I CB 2.146 39.946 38.000 -0.333 0.000 1.264 649 I HN 0.619 nan 8.210 nan 0.000 0.429 650 A N 4.130 127.167 122.820 0.363 0.000 2.679 650 A HA 0.720 5.039 4.320 -0.001 0.000 0.288 650 A C -0.645 177.106 177.584 0.279 0.000 1.160 650 A CA -0.272 51.955 52.037 0.317 0.000 0.763 650 A CB 0.925 20.049 19.000 0.206 0.000 1.270 650 A HN 0.886 nan 8.150 nan 0.000 0.417 651 S N 1.051 116.887 115.700 0.225 0.000 2.567 651 S HA 0.447 4.916 4.470 -0.001 0.000 0.270 651 S C 0.251 174.768 174.600 -0.138 0.000 1.152 651 S CA 0.245 58.422 58.200 -0.038 0.000 0.835 651 S CB 1.110 64.179 63.200 -0.219 0.000 1.115 651 S HN 0.891 nan 8.310 nan 0.000 0.459 652 D N 1.872 122.188 120.400 -0.140 0.000 2.265 652 D HA -0.060 4.579 4.640 -0.001 0.000 0.208 652 D C 1.409 177.606 176.300 -0.170 0.000 0.977 652 D CA 1.491 55.416 54.000 -0.124 0.000 0.871 652 D CB -0.492 40.244 40.800 -0.106 0.000 0.925 652 D HN 0.263 nan 8.370 nan 0.000 0.485 653 S N -0.562 114.932 115.700 -0.344 0.000 2.419 653 S HA -0.136 4.333 4.470 -0.001 0.000 0.233 653 S C 0.347 174.685 174.600 -0.436 0.000 1.016 653 S CA 0.602 58.562 58.200 -0.401 0.000 0.974 653 S CB -0.346 62.534 63.200 -0.533 0.000 0.786 653 S HN 0.426 nan 8.310 nan 0.000 0.492 654 Y N 1.539 121.885 120.300 0.078 0.000 2.756 654 Y HA 0.459 5.008 4.550 -0.001 0.000 0.300 654 Y C 0.829 176.813 175.900 0.140 0.000 1.113 654 Y CA -1.179 56.975 58.100 0.090 0.000 1.291 654 Y CB -0.662 37.870 38.460 0.120 0.000 1.175 654 Y HN 0.133 nan 8.280 nan 0.000 0.534 655 S N -1.693 114.036 115.700 0.048 0.000 2.709 655 S HA 0.417 4.886 4.470 -0.001 0.000 0.302 655 S C -0.199 174.183 174.600 -0.363 0.000 1.127 655 S CA -0.742 57.445 58.200 -0.022 0.000 0.905 655 S CB 1.350 64.537 63.200 -0.022 0.000 1.151 655 S HN 0.326 nan 8.310 nan 0.000 0.510 656 H N 0.546 119.448 119.070 -0.281 0.000 2.503 656 H HA 0.471 5.026 4.556 -0.001 0.000 0.296 656 H C -0.674 174.526 175.328 -0.214 0.000 1.097 656 H CA 0.048 55.947 56.048 -0.248 0.000 1.055 656 H CB -0.152 29.401 29.762 -0.349 0.000 1.580 656 H HN 0.363 nan 8.280 nan 0.000 0.546 657 L N 0.536 121.684 121.223 -0.124 0.000 2.559 657 L HA 0.251 4.590 4.340 -0.001 0.000 0.276 657 L C 0.688 177.557 176.870 -0.002 0.000 1.457 657 L CA -0.560 54.221 54.840 -0.099 0.000 0.708 657 L CB 1.089 42.935 42.059 -0.353 0.000 0.987 657 L HN 0.229 nan 8.230 nan 0.000 0.518 658 G N -0.933 107.885 108.800 0.030 0.000 2.414 658 G HA2 0.350 4.309 3.960 -0.001 0.000 0.236 658 G HA3 0.350 4.309 3.960 -0.001 0.000 0.236 658 G C 1.071 175.812 174.900 -0.264 0.000 1.293 658 G CA 0.939 46.053 45.100 0.024 0.000 0.869 658 G HN 0.720 nan 8.290 nan 0.000 0.556 659 G N 0.336 108.740 108.800 -0.659 0.000 2.175 659 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.244 659 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.244 659 G C 0.033 174.232 174.900 -1.168 0.000 0.982 659 G CA 0.333 44.387 45.100 -1.744 0.000 0.641 659 G HN 0.781 nan 8.290 nan 0.000 0.527 660 W N -0.546 120.577 121.300 -0.295 0.000 2.883 660 W HA 0.682 5.341 4.660 -0.001 0.000 0.335 660 W C 1.288 177.714 176.519 -0.156 0.000 1.083 660 W CA -1.125 56.155 57.345 -0.109 0.000 1.233 660 W CB 0.924 30.397 29.460 0.021 0.000 1.412 660 W HN -0.078 nan 8.180 nan 0.000 0.490 661 L N 1.264 122.553 121.223 0.109 0.000 2.129 661 L HA -0.260 4.079 4.340 -0.001 0.000 0.212 661 L C 2.364 179.036 176.870 -0.330 0.000 1.087 661 L CA 1.518 56.167 54.840 -0.318 0.000 0.757 661 L CB -0.311 41.522 42.059 -0.377 0.000 0.896 661 L HN 0.607 nan 8.230 nan 0.000 0.434 662 E N 0.510 120.758 120.200 0.080 0.000 2.097 662 E HA -0.207 4.142 4.350 -0.001 0.000 0.196 662 E C 2.085 178.684 176.600 -0.003 0.000 1.000 662 E CA 1.686 58.176 56.400 0.149 0.000 0.804 662 E CB -0.378 29.423 29.700 0.169 0.000 0.740 662 E HN 0.399 nan 8.360 nan 0.000 0.454 663 G N -0.052 108.707 108.800 -0.070 0.000 2.402 663 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.216 663 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.216 663 G C 1.703 176.577 174.900 -0.044 0.000 1.162 663 G CA 1.035 46.075 45.100 -0.100 0.000 0.777 663 G HN 0.451 nan 8.290 nan 0.000 0.539 664 A N 0.687 123.442 122.820 -0.107 0.000 1.883 664 A HA 0.029 4.349 4.320 -0.001 0.000 0.217 664 A C 2.167 179.800 177.584 0.081 0.000 1.186 664 A CA 1.648 53.629 52.037 -0.094 0.000 0.624 664 A CB -0.594 18.243 19.000 -0.272 0.000 0.822 664 A HN 0.258 nan 8.150 nan 0.000 0.444 665 F N -0.479 119.506 119.950 0.059 0.000 2.146 665 F HA -0.084 4.442 4.527 -0.001 0.000 0.298 665 F C 2.514 178.428 175.800 0.191 0.000 1.096 665 F CA 0.985 59.066 58.000 0.134 0.000 1.275 665 F CB -0.948 38.205 39.000 0.255 0.000 1.008 665 F HN 0.134 nan 8.300 nan 0.000 0.480 666 M N -1.022 118.750 119.600 0.287 0.000 2.117 666 M HA -0.210 4.270 4.480 -0.001 0.000 0.262 666 M C 2.507 178.975 176.300 0.279 0.000 1.065 666 M CA 1.865 57.279 55.300 0.190 0.000 1.114 666 M CB -0.667 31.797 32.600 -0.228 0.000 1.361 666 M HN 0.109 nan 8.290 nan 0.000 0.408 667 S N 0.244 116.068 115.700 0.206 0.000 2.382 667 S HA -0.102 4.367 4.470 -0.001 0.000 0.228 667 S C 1.960 176.653 174.600 0.155 0.000 1.027 667 S CA 1.346 59.659 58.200 0.189 0.000 0.991 667 S CB -0.153 63.176 63.200 0.215 0.000 0.823 667 S HN 0.487 nan 8.310 nan 0.000 0.469 668 A N 0.929 123.859 122.820 0.185 0.000 1.933 668 A HA 0.036 4.356 4.320 -0.001 0.000 0.218 668 A C 2.110 179.755 177.584 0.103 0.000 1.175 668 A CA 1.429 53.555 52.037 0.147 0.000 0.628 668 A CB -0.757 18.342 19.000 0.165 0.000 0.814 668 A HN 0.533 nan 8.150 nan 0.000 0.444 669 L N 0.298 121.621 121.223 0.167 0.000 2.056 669 L HA -0.149 4.190 4.340 -0.001 0.000 0.207 669 L C 2.017 178.851 176.870 -0.059 0.000 1.078 669 L CA 1.795 56.698 54.840 0.105 0.000 0.749 669 L CB -0.627 41.565 42.059 0.222 0.000 0.901 669 L HN 0.330 nan 8.230 nan 0.000 0.433 670 N N -0.005 118.633 118.700 -0.104 0.000 2.069 670 N HA -0.198 4.541 4.740 -0.001 0.000 0.191 670 N C 1.844 177.096 175.510 -0.430 0.000 1.031 670 N CA 1.683 54.419 53.050 -0.524 0.000 0.852 670 N CB -0.629 37.336 38.487 -0.869 0.000 1.018 670 N HN 0.464 nan 8.380 nan 0.000 0.423 671 A N 0.641 123.356 122.820 -0.175 0.000 1.883 671 A HA -0.099 4.220 4.320 -0.001 0.000 0.217 671 A C 2.505 179.893 177.584 -0.327 0.000 1.186 671 A CA 1.663 53.662 52.037 -0.063 0.000 0.624 671 A CB -0.797 18.261 19.000 0.098 0.000 0.822 671 A HN 0.134 nan 8.150 nan 0.000 0.444 672 V N -0.353 119.416 119.914 -0.242 0.000 2.453 672 V HA -0.137 3.982 4.120 -0.001 0.000 0.247 672 V C 2.999 178.886 176.094 -0.345 0.000 1.048 672 V CA 1.570 63.691 62.300 -0.299 0.000 1.049 672 V CB -1.191 30.534 31.823 -0.164 0.000 0.672 672 V HN 0.612 nan 8.190 nan 0.000 0.457 673 A N 0.946 123.607 122.820 -0.266 0.000 1.883 673 A HA -0.125 4.194 4.320 -0.001 0.000 0.217 673 A C 2.443 179.871 177.584 -0.260 0.000 1.186 673 A CA 2.089 53.991 52.037 -0.225 0.000 0.624 673 A CB -1.324 17.578 19.000 -0.163 0.000 0.822 673 A HN 0.508 nan 8.150 nan 0.000 0.444 674 G N -0.231 108.401 108.800 -0.279 0.000 2.446 674 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.217 674 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.217 674 G C 1.607 176.039 174.900 -0.780 0.000 1.168 674 G CA 1.082 45.978 45.100 -0.339 0.000 0.771 674 G HN 0.541 nan 8.290 nan 0.000 0.551 675 L N 0.133 120.512 121.223 -1.407 0.000 2.042 675 L HA -0.070 4.269 4.340 -0.001 0.000 0.210 675 L C 2.787 179.200 176.870 -0.761 0.000 1.076 675 L CA 1.258 55.326 54.840 -1.287 0.000 0.749 675 L CB -0.187 41.226 42.059 -1.077 0.000 0.893 675 L HN 0.260 nan 8.230 nan 0.000 0.432 676 I N -1.262 118.983 120.570 -0.541 0.000 2.179 676 I HA -0.293 3.876 4.170 -0.001 0.000 0.242 676 I C 2.368 178.338 176.117 -0.246 0.000 1.088 676 I CA 1.294 62.378 61.300 -0.360 0.000 1.357 676 I CB -0.312 37.528 38.000 -0.267 0.000 1.051 676 I HN 0.091 nan 8.210 nan 0.000 0.409 677 V N 0.834 120.623 119.914 -0.207 0.000 2.343 677 V HA -0.277 3.842 4.120 -0.001 0.000 0.247 677 V C 2.609 178.671 176.094 -0.054 0.000 1.051 677 V CA 1.959 64.194 62.300 -0.109 0.000 1.036 677 V CB -0.775 30.994 31.823 -0.090 0.000 0.654 677 V HN 0.392 nan 8.190 nan 0.000 0.451 678 R N 1.431 121.905 120.500 -0.044 0.000 2.081 678 R HA -0.082 4.257 4.340 -0.001 0.000 0.235 678 R C 2.128 178.504 176.300 0.127 0.000 1.131 678 R CA 1.959 58.122 56.100 0.104 0.000 0.960 678 R CB -1.088 29.393 30.300 0.302 0.000 0.856 678 R HN 0.419 nan 8.270 nan 0.000 0.436 679 A N 0.240 123.043 122.820 -0.029 0.000 2.024 679 A HA -0.096 4.223 4.320 -0.001 0.000 0.220 679 A C 1.287 178.956 177.584 0.141 0.000 1.164 679 A CA 1.646 53.766 52.037 0.137 0.000 0.643 679 A CB -0.382 18.551 19.000 -0.112 0.000 0.806 679 A HN 0.486 nan 8.150 nan 0.000 0.451 680 N N -0.526 118.206 118.700 0.052 0.000 2.273 680 N HA 0.108 4.847 4.740 -0.001 0.000 0.231 680 N C -0.563 174.976 175.510 0.048 0.000 1.134 680 N CA -0.094 52.983 53.050 0.045 0.000 0.856 680 N CB 0.261 38.749 38.487 0.002 0.000 1.068 680 N HN 0.355 nan 8.380 nan 0.000 0.510 681 R N -0.122 120.423 120.500 0.075 0.000 3.416 681 R HA -0.217 4.122 4.340 -0.001 0.000 0.263 681 R C 0.773 177.098 176.300 0.042 0.000 1.053 681 R CA 0.542 56.682 56.100 0.068 0.000 0.705 681 R CB -2.012 28.324 30.300 0.059 0.000 1.124 681 R HN 0.521 nan 8.270 nan 0.000 0.444 682 G N -0.152 108.668 108.800 0.033 0.000 2.175 682 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.244 682 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.244 682 G C -0.217 174.681 174.900 -0.002 0.000 0.982 682 G CA 0.171 45.279 45.100 0.013 0.000 0.641 682 G HN 0.489 nan 8.290 nan 0.000 0.527 683 D N 1.258 121.657 120.400 -0.002 0.000 2.359 683 D HA 0.391 5.030 4.640 -0.001 0.000 0.250 683 D C 1.984 178.270 176.300 -0.023 0.000 1.264 683 D CA 0.370 54.365 54.000 -0.009 0.000 0.911 683 D CB 0.980 41.779 40.800 -0.002 0.000 1.056 683 D HN 0.657 nan 8.370 nan 0.000 0.499 684 V N 2.070 121.969 119.914 -0.025 0.000 2.913 684 V HA -0.140 3.979 4.120 -0.001 0.000 0.260 684 V C 1.857 177.931 176.094 -0.034 0.000 1.098 684 V CA 1.575 63.854 62.300 -0.035 0.000 1.121 684 V CB -0.948 30.855 31.823 -0.032 0.000 0.714 684 V HN 0.516 nan 8.190 nan 0.000 0.487 685 S N 1.214 116.898 115.700 -0.026 0.000 2.507 685 S HA 0.123 4.592 4.470 -0.001 0.000 0.235 685 S C 1.935 176.517 174.600 -0.030 0.000 0.988 685 S CA 0.950 59.136 58.200 -0.024 0.000 0.944 685 S CB -0.403 62.787 63.200 -0.016 0.000 0.762 685 S HN 1.019 nan 8.310 nan 0.000 0.526 686 A N 1.117 123.916 122.820 -0.035 0.000 2.121 686 A HA 0.339 4.658 4.320 -0.001 0.000 0.218 686 A C 1.011 178.558 177.584 -0.061 0.000 1.154 686 A CA 0.307 52.317 52.037 -0.044 0.000 0.679 686 A CB -0.487 18.484 19.000 -0.047 0.000 0.795 686 A HN 0.588 nan 8.150 nan 0.000 0.458 687 L N 0.882 122.067 121.223 -0.064 0.000 2.418 687 L HA 0.234 4.573 4.340 -0.001 0.000 0.265 687 L C 1.149 177.984 176.870 -0.059 0.000 1.143 687 L CA -0.449 54.347 54.840 -0.073 0.000 0.809 687 L CB 1.134 43.146 42.059 -0.079 0.000 1.124 687 L HN 0.379 nan 8.230 nan 0.000 0.456 688 S N 0.398 116.061 115.700 -0.061 0.000 2.569 688 S HA -0.018 4.451 4.470 -0.001 0.000 0.274 688 S C 1.101 175.673 174.600 -0.047 0.000 1.353 688 S CA -0.186 57.984 58.200 -0.050 0.000 1.023 688 S CB 1.005 64.175 63.200 -0.051 0.000 0.876 688 S HN 0.680 nan 8.310 nan 0.000 0.540 689 T N 2.223 116.755 114.554 -0.037 0.000 2.737 689 T HA -0.117 4.233 4.350 -0.001 0.000 0.269 689 T C 1.475 176.152 174.700 -0.038 0.000 1.040 689 T CA 2.178 64.259 62.100 -0.032 0.000 1.142 689 T CB -0.519 68.335 68.868 -0.023 0.000 0.861 689 T HN 0.772 nan 8.240 nan 0.000 0.456 690 E N 0.986 121.160 120.200 -0.043 0.000 2.158 690 E HA 0.180 4.529 4.350 -0.001 0.000 0.191 690 E C 2.211 178.765 176.600 -0.076 0.000 0.982 690 E CA 0.848 57.218 56.400 -0.050 0.000 0.823 690 E CB -0.330 29.342 29.700 -0.047 0.000 0.766 690 E HN 0.488 nan 8.360 nan 0.000 0.468 691 A N 0.343 123.112 122.820 -0.085 0.000 2.123 691 A HA 0.012 4.331 4.320 -0.001 0.000 0.214 691 A C 1.988 179.509 177.584 -0.104 0.000 1.152 691 A CA 0.604 52.571 52.037 -0.117 0.000 0.728 691 A CB -0.222 18.710 19.000 -0.114 0.000 0.814 691 A HN 0.058 nan 8.150 nan 0.000 0.464 692 R N 0.227 120.682 120.500 -0.073 0.000 2.091 692 R HA -0.118 4.221 4.340 -0.001 0.000 0.238 692 R C -1.067 175.204 176.300 -0.048 0.000 1.136 692 R CA 1.944 58.010 56.100 -0.057 0.000 0.959 692 R CB -0.939 29.336 30.300 -0.042 0.000 0.856 692 R HN 0.364 nan 8.270 nan 0.000 0.437 693 P HA -0.094 nan 4.420 nan 0.000 0.226 693 P C 0.777 178.065 177.300 -0.020 0.000 1.153 693 P CA 0.951 64.038 63.100 -0.022 0.000 0.777 693 P CB -0.030 31.663 31.700 -0.013 0.000 0.794 694 L N -1.609 119.566 121.223 -0.082 0.000 2.129 694 L HA -0.169 4.170 4.340 -0.001 0.000 0.212 694 L C 2.067 178.986 176.870 0.082 0.000 1.087 694 L CA 1.376 56.170 54.840 -0.077 0.000 0.757 694 L CB -0.735 41.200 42.059 -0.206 0.000 0.896 694 L HN -0.049 nan 8.230 nan 0.000 0.434 695 V N -0.300 119.629 119.914 0.026 0.000 2.627 695 V HA -0.074 4.045 4.120 -0.001 0.000 0.239 695 V C 1.922 177.995 176.094 -0.035 0.000 1.077 695 V CA 1.074 63.369 62.300 -0.009 0.000 1.103 695 V CB 0.294 32.098 31.823 -0.032 0.000 0.802 695 V HN 0.406 nan 8.190 nan 0.000 0.482 696 I N -0.665 119.893 120.570 -0.019 0.000 3.428 696 I HA 0.237 4.406 4.170 -0.001 0.000 0.286 696 I C 1.818 177.942 176.117 0.012 0.000 1.287 696 I CA 1.197 62.490 61.300 -0.012 0.000 1.396 696 I CB -0.538 37.454 38.000 -0.013 0.000 1.062 696 I HN 0.209 nan 8.210 nan 0.000 0.471 697 G N 1.985 110.804 108.800 0.032 0.000 2.920 697 G HA2 0.322 4.281 3.960 -0.001 0.000 0.208 697 G HA3 0.322 4.281 3.960 -0.001 0.000 0.208 697 G C 0.501 175.460 174.900 0.100 0.000 1.159 697 G CA -0.091 45.047 45.100 0.063 0.000 0.784 697 G HN 0.273 nan 8.290 nan 0.000 0.535 698 L N -0.308 120.965 121.223 0.082 0.000 2.333 698 L HA 0.498 4.837 4.340 -0.001 0.000 0.269 698 L C 0.197 177.109 176.870 0.070 0.000 1.010 698 L CA -1.260 53.647 54.840 0.112 0.000 0.818 698 L CB 2.020 44.133 42.059 0.091 0.000 1.306 698 L HN -0.096 nan 8.230 nan 0.000 0.430 699 R N 2.500 123.059 120.500 0.099 0.000 2.484 699 R HA 0.111 4.450 4.340 -0.001 0.000 0.293 699 R C -2.187 174.136 176.300 0.038 0.000 1.023 699 R CA -1.243 54.901 56.100 0.072 0.000 1.037 699 R CB -0.013 30.347 30.300 0.099 0.000 0.951 699 R HN 0.306 nan 8.270 nan 0.000 0.418 700 P HA -0.038 nan 4.420 nan 0.000 0.272 700 P C 0.648 177.952 177.300 0.007 0.000 1.223 700 P CA -0.040 63.049 63.100 -0.018 0.000 0.784 700 P CB 0.885 32.574 31.700 -0.018 0.000 0.923 701 V N -0.039 119.871 119.914 -0.006 0.000 3.623 701 V HA 0.087 4.206 4.120 -0.001 0.000 0.271 701 V C 0.752 176.865 176.094 0.031 0.000 1.248 701 V CA 0.434 62.753 62.300 0.031 0.000 1.156 701 V CB -0.599 31.256 31.823 0.053 0.000 0.870 701 V HN 0.393 nan 8.190 nan 0.000 0.453 702 V N -2.169 117.754 119.914 0.014 0.000 3.001 702 V HA 0.735 4.854 4.120 -0.001 0.000 0.314 702 V C -0.164 175.937 176.094 0.013 0.000 1.099 702 V CA -1.413 60.898 62.300 0.017 0.000 0.989 702 V CB 1.750 33.583 31.823 0.016 0.000 1.040 702 V HN 0.295 nan 8.190 nan 0.000 0.434 703 K N 0.000 120.408 120.400 0.014 0.000 2.780 703 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 703 K CA 0.000 56.294 56.287 0.012 0.000 0.838 703 K CB 0.000 32.507 32.500 0.012 0.000 1.064 703 K HN 0.000 nan 8.250 nan 0.000 0.543