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 1yvu_1_A DATA FIRST_RESID 4 DATA SEQUENCE EALLNLYRIE YRPKDTTFTV FKPTHEIQKE KLNKVRWRVF LQTGLPTFRR DATA SEQUENCE EDEFWCAGKV EKDTLYLTLS NGEIVELKRV GEEEFRGFQN ERECQELFRD DATA SEQUENCE FLTKTKVKDK FISDFYKKFR DKITVQGKNR KIALIPEVNE KVLKSEEGYF DATA SEQUENCE LLHLDLKFRI QPFETLQTLL ERNDFNPKRI RVKPIGIDFV GRVQDVFKAK DATA SEQUENCE EKGEEFFRLC XERSTHKSSK KAWEELLKNR ELREKAFLVV LEKGYTYPAT DATA SEQUENCE ILKPVLTYXX XXXXERNEVA DIVRXEPGKR LNLIRYILRR YVKALRDYGW DATA SEQUENCE YISPEEERAK GKLNFKDTVL DAKGKNTKVI TNLRKFLELC RPFVKKDVLS DATA SEQUENCE VEIISVSVXX XXXWRKEEFL KELINFLKNK GIKLKIKGKS LILAQTREEA DATA SEQUENCE KEKLIPVINK IKDVDLVIVF LEXXXXXXXX XXFLLYDFVK RELLKKXIPS DATA SEQUENCE QVILNRTLKN ENLKFVLLNV AEQVLAKTGN IPYKLKEIEG KVDAFVGIDI DATA SEQUENCE SRITRDGKTV NAVAFTKIFN SKGELVRYYL TSYPAFGEKL TEKAIGDVFS DATA SEQUENCE LLEKLGFKKG SKIVVHRDGR LYRDEVAAFK KYGELYGYSL ELLEIIKRNN DATA SEQUENCE PRFFSNEKFI KGYFYKLSED SVILATYNQV YEGTHQPIKV RKVYGELPVE DATA SEQUENCE VLCSQILSLT LXNYSSFQPI KLPATVHYSD KITKLXLRGI EPIKKEGDIX DATA SEQUENCE YWL 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.643 176.600 0.072 0.000 1.382 4 E CA 0.000 56.422 56.400 0.037 0.000 0.976 4 E CB 0.000 29.683 29.700 -0.029 0.000 0.812 5 A N 1.328 124.239 122.820 0.153 0.000 1.745 5 A HA -0.180 4.140 4.320 -0.000 0.000 0.374 5 A C -0.422 177.307 177.584 0.241 0.000 0.861 5 A CA 0.303 52.480 52.037 0.233 0.000 0.509 5 A CB -1.220 17.986 19.000 0.343 0.000 2.176 5 A HN 0.420 nan 8.150 nan 0.000 0.304 6 L N 2.010 123.380 121.223 0.244 0.000 2.379 6 L HA 0.807 5.147 4.340 -0.000 0.000 0.269 6 L C 0.336 177.345 176.870 0.231 0.000 1.084 6 L CA -0.805 54.163 54.840 0.214 0.000 0.802 6 L CB 1.212 43.401 42.059 0.215 0.000 1.175 6 L HN 0.700 nan 8.230 nan 0.000 0.448 7 L N 0.875 122.133 121.223 0.058 0.000 2.376 7 L HA 0.353 4.693 4.340 -0.000 0.000 0.258 7 L C 0.820 177.606 176.870 -0.139 0.000 1.013 7 L CA -0.468 54.308 54.840 -0.107 0.000 0.822 7 L CB 1.666 43.497 42.059 -0.380 0.000 1.388 7 L HN 0.388 nan 8.230 nan 0.000 0.413 8 N N 1.512 120.191 118.700 -0.035 0.000 2.668 8 N HA 0.019 4.759 4.740 -0.000 0.000 0.201 8 N C -0.762 174.603 175.510 -0.242 0.000 1.408 8 N CA 0.543 53.600 53.050 0.012 0.000 0.905 8 N CB -0.314 38.283 38.487 0.183 0.000 1.093 8 N HN 0.310 nan 8.380 nan 0.000 0.453 9 L N 0.787 121.671 121.223 -0.565 0.000 2.296 9 L HA 0.407 4.746 4.340 -0.000 0.000 0.286 9 L C -0.953 175.495 176.870 -0.702 0.000 1.023 9 L CA -0.765 53.767 54.840 -0.514 0.000 0.812 9 L CB 0.774 42.494 42.059 -0.564 0.000 1.223 9 L HN -0.042 nan 8.230 nan 0.000 0.421 10 Y N 1.379 121.628 120.300 -0.085 0.000 2.406 10 Y HA 0.427 4.976 4.550 -0.000 0.000 0.340 10 Y C -0.021 175.857 175.900 -0.037 0.000 0.975 10 Y CA -1.008 57.051 58.100 -0.068 0.000 1.056 10 Y CB 1.639 40.048 38.460 -0.084 0.000 1.210 10 Y HN 0.402 nan 8.280 nan 0.000 0.448 11 R N 3.159 123.738 120.500 0.131 0.000 2.446 11 R HA 0.199 4.538 4.340 -0.000 0.000 0.314 11 R C -0.625 175.788 176.300 0.188 0.000 1.003 11 R CA 0.189 56.382 56.100 0.156 0.000 1.018 11 R CB 0.313 30.691 30.300 0.131 0.000 0.945 11 R HN 0.663 nan 8.270 nan 0.000 0.419 12 I N 2.207 122.904 120.570 0.212 0.000 2.460 12 I HA 0.251 4.421 4.170 -0.000 0.000 0.298 12 I C -0.556 175.788 176.117 0.377 0.000 0.989 12 I CA -0.487 60.952 61.300 0.232 0.000 1.173 12 I CB 1.490 39.522 38.000 0.053 0.000 1.338 12 I HN 0.598 nan 8.210 nan 0.000 0.456 13 E N 4.946 125.427 120.200 0.467 0.000 2.356 13 E HA 0.329 4.679 4.350 -0.000 0.000 0.275 13 E C -2.039 174.806 176.600 0.408 0.000 0.904 13 E CA -0.623 56.032 56.400 0.424 0.000 0.757 13 E CB 2.504 32.413 29.700 0.348 0.000 1.232 13 E HN 0.446 nan 8.360 nan 0.000 0.442 14 Y N 2.090 122.434 120.300 0.073 0.000 2.327 14 Y HA 0.440 4.989 4.550 -0.000 0.000 0.325 14 Y C -1.118 174.712 175.900 -0.116 0.000 0.999 14 Y CA -0.885 57.054 58.100 -0.268 0.000 1.195 14 Y CB 1.016 39.146 38.460 -0.551 0.000 1.132 14 Y HN 0.448 nan 8.280 nan 0.000 0.455 15 R N 6.791 127.036 120.500 -0.425 0.000 2.629 15 R HA 0.283 4.623 4.340 -0.000 0.000 0.277 15 R C -2.749 173.286 176.300 -0.442 0.000 1.637 15 R CA -1.694 54.185 56.100 -0.368 0.000 1.663 15 R CB 0.667 30.864 30.300 -0.171 0.000 1.228 15 R HN 0.441 nan 8.270 nan 0.000 0.632 16 P HA -0.005 nan 4.420 nan 0.000 0.267 16 P C -0.172 177.052 177.300 -0.125 0.000 1.200 16 P CA -0.008 62.855 63.100 -0.395 0.000 0.772 16 P CB 1.334 32.807 31.700 -0.379 0.000 0.855 17 K N 1.312 121.691 120.400 -0.034 0.000 1.975 17 K HA -0.092 4.228 4.320 -0.000 0.000 0.210 17 K C 0.603 177.227 176.600 0.040 0.000 1.041 17 K CA 1.319 57.605 56.287 -0.002 0.000 0.942 17 K CB -0.423 32.080 32.500 0.004 0.000 0.729 17 K HN 0.511 nan 8.250 nan 0.000 0.439 18 D N 1.216 121.669 120.400 0.089 0.000 2.435 18 D HA 0.027 4.667 4.640 -0.000 0.000 0.230 18 D C -0.310 176.116 176.300 0.210 0.000 1.215 18 D CA -0.025 54.052 54.000 0.128 0.000 0.947 18 D CB 0.618 41.496 40.800 0.131 0.000 1.048 18 D HN 0.082 nan 8.370 nan 0.000 0.512 19 T N 1.615 116.277 114.554 0.181 0.000 3.284 19 T HA -0.002 4.347 4.350 -0.000 0.000 0.252 19 T C 0.549 175.460 174.700 0.351 0.000 1.144 19 T CA -0.005 62.239 62.100 0.240 0.000 1.021 19 T CB -0.169 68.767 68.868 0.113 0.000 0.984 19 T HN 0.298 nan 8.240 nan 0.000 0.545 20 T N 3.078 117.841 114.554 0.349 0.000 2.761 20 T HA 0.479 4.829 4.350 -0.000 0.000 0.296 20 T C -0.691 174.319 174.700 0.516 0.000 0.934 20 T CA -0.277 62.022 62.100 0.333 0.000 1.091 20 T CB 0.165 69.136 68.868 0.172 0.000 0.896 20 T HN 0.049 nan 8.240 nan 0.000 0.515 21 F N 1.462 121.466 119.950 0.090 0.000 2.540 21 F HA 0.397 4.924 4.527 -0.000 0.000 0.317 21 F C 0.676 176.389 175.800 -0.145 0.000 1.104 21 F CA -1.178 56.853 58.000 0.051 0.000 0.913 21 F CB 1.935 41.066 39.000 0.219 0.000 1.170 21 F HN 0.362 nan 8.300 nan 0.000 0.450 22 T N 3.643 118.155 114.554 -0.071 0.000 2.743 22 T HA 0.495 4.845 4.350 -0.000 0.000 0.293 22 T C -0.154 174.245 174.700 -0.501 0.000 0.945 22 T CA -0.482 61.437 62.100 -0.302 0.000 1.030 22 T CB 0.749 69.461 68.868 -0.260 0.000 0.912 22 T HN 0.224 nan 8.240 nan 0.000 0.483 23 V N 4.196 123.688 119.914 -0.703 0.000 2.567 23 V HA 0.535 4.655 4.120 -0.000 0.000 0.289 23 V C -0.485 175.120 176.094 -0.816 0.000 1.049 23 V CA -0.650 61.212 62.300 -0.731 0.000 0.969 23 V CB 0.620 31.973 31.823 -0.783 0.000 0.995 23 V HN 0.791 nan 8.190 nan 0.000 0.471 24 F N 3.011 122.884 119.950 -0.129 0.000 2.579 24 F HA 0.532 5.059 4.527 -0.000 0.000 0.325 24 F C 0.026 175.898 175.800 0.119 0.000 1.162 24 F CA -0.541 57.429 58.000 -0.050 0.000 0.946 24 F CB 1.751 40.661 39.000 -0.150 0.000 1.211 24 F HN 0.300 nan 8.300 nan 0.000 0.447 25 K N 4.513 125.059 120.400 0.243 0.000 2.324 25 K HA 0.577 4.897 4.320 -0.000 0.000 0.253 25 K C -2.891 173.842 176.600 0.222 0.000 0.932 25 K CA -2.069 54.374 56.287 0.261 0.000 0.799 25 K CB 2.387 34.979 32.500 0.154 0.000 1.154 25 K HN 0.183 nan 8.250 nan 0.000 0.425 26 P HA 0.101 nan 4.420 nan 0.000 0.272 26 P C -0.174 177.208 177.300 0.136 0.000 1.230 26 P CA -0.193 63.040 63.100 0.223 0.000 0.788 26 P CB 0.691 32.573 31.700 0.304 0.000 0.949 27 T N -1.898 112.656 114.554 0.001 0.000 3.081 27 T HA 0.033 4.383 4.350 -0.000 0.000 0.250 27 T C 0.784 175.402 174.700 -0.137 0.000 1.100 27 T CA 0.689 62.713 62.100 -0.128 0.000 1.038 27 T CB -0.513 68.216 68.868 -0.231 0.000 0.962 27 T HN 0.478 nan 8.240 nan 0.000 0.516 28 H N 1.308 120.407 119.070 0.049 0.000 3.542 28 H HA 0.532 5.088 4.556 -0.000 0.000 0.159 28 H C 0.061 175.424 175.328 0.058 0.000 1.583 28 H CA -0.751 55.323 56.048 0.044 0.000 1.628 28 H CB 0.514 30.296 29.762 0.034 0.000 0.792 28 H HN 0.169 nan 8.280 nan 0.000 0.810 29 E N 0.378 120.715 120.200 0.228 0.000 2.518 29 E HA 0.435 4.785 4.350 -0.000 0.000 0.248 29 E C -0.492 176.186 176.600 0.129 0.000 1.028 29 E CA -0.760 55.724 56.400 0.139 0.000 0.922 29 E CB 1.658 31.416 29.700 0.097 0.000 1.299 29 E HN 0.292 nan 8.360 nan 0.000 0.457 30 I N 0.686 121.322 120.570 0.110 0.000 2.336 30 I HA 0.246 4.416 4.170 -0.000 0.000 0.292 30 I C -0.450 175.719 176.117 0.087 0.000 0.991 30 I CA -0.310 61.058 61.300 0.114 0.000 1.227 30 I CB 0.849 38.909 38.000 0.100 0.000 1.366 30 I HN 0.226 nan 8.210 nan 0.000 0.466 31 Q N 5.506 125.361 119.800 0.091 0.000 2.616 31 Q HA 0.269 4.609 4.340 -0.000 0.000 0.250 31 Q C 0.388 176.437 176.000 0.081 0.000 0.991 31 Q CA -0.490 55.353 55.803 0.068 0.000 0.707 31 Q CB 1.773 30.534 28.738 0.039 0.000 1.247 31 Q HN 0.539 nan 8.270 nan 0.000 0.491 32 K N 0.823 121.270 120.400 0.078 0.000 2.108 32 K HA -0.340 3.979 4.320 -0.000 0.000 0.219 32 K C 0.937 177.590 176.600 0.087 0.000 1.054 32 K CA 2.324 58.660 56.287 0.082 0.000 0.945 32 K CB 0.176 32.719 32.500 0.073 0.000 0.728 32 K HN 0.508 nan 8.250 nan 0.000 0.462 33 E N 0.203 120.448 120.200 0.076 0.000 2.152 33 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 33 E C 1.708 178.355 176.600 0.078 0.000 0.983 33 E CA 0.995 57.441 56.400 0.075 0.000 0.818 33 E CB 0.116 29.852 29.700 0.060 0.000 0.758 33 E HN 0.273 nan 8.360 nan 0.000 0.467 34 K N 0.332 120.774 120.400 0.071 0.000 2.365 34 K HA 0.068 4.387 4.320 -0.000 0.000 0.197 34 K C 1.896 178.570 176.600 0.124 0.000 1.042 34 K CA 0.244 56.573 56.287 0.070 0.000 0.987 34 K CB 0.170 32.690 32.500 0.033 0.000 0.779 34 K HN 0.077 nan 8.250 nan 0.000 0.484 35 L N 1.254 122.575 121.223 0.163 0.000 2.083 35 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 35 L C 2.120 179.168 176.870 0.297 0.000 1.083 35 L CA 1.011 56.010 54.840 0.266 0.000 0.752 35 L CB -0.365 41.825 42.059 0.218 0.000 0.899 35 L HN 0.307 nan 8.230 nan 0.000 0.433 36 N N 0.086 118.913 118.700 0.211 0.000 2.396 36 N HA -0.133 4.606 4.740 -0.000 0.000 0.180 36 N C 1.650 177.303 175.510 0.238 0.000 1.028 36 N CA 0.972 54.148 53.050 0.211 0.000 0.893 36 N CB 0.192 38.767 38.487 0.146 0.000 0.967 36 N HN 0.419 nan 8.380 nan 0.000 0.440 37 K N 0.033 120.553 120.400 0.199 0.000 2.137 37 K HA 0.056 4.376 4.320 -0.000 0.000 0.202 37 K C 1.997 178.728 176.600 0.218 0.000 1.052 37 K CA 0.457 56.864 56.287 0.200 0.000 0.961 37 K CB 0.218 32.783 32.500 0.108 0.000 0.741 37 K HN -0.073 nan 8.250 nan 0.000 0.452 38 V N 1.994 122.002 119.914 0.157 0.000 2.323 38 V HA -0.195 3.924 4.120 -0.000 0.000 0.244 38 V C 2.438 178.557 176.094 0.041 0.000 1.041 38 V CA 1.510 63.824 62.300 0.024 0.000 1.025 38 V CB -0.524 31.236 31.823 -0.104 0.000 0.656 38 V HN 0.332 nan 8.190 nan 0.000 0.451 39 R N -0.431 120.241 120.500 0.288 0.000 2.139 39 R HA -0.247 4.093 4.340 -0.000 0.000 0.243 39 R C 2.223 178.721 176.300 0.329 0.000 1.145 39 R CA 2.173 58.525 56.100 0.420 0.000 0.976 39 R CB -0.485 30.138 30.300 0.538 0.000 0.866 39 R HN 0.775 nan 8.270 nan 0.000 0.449 40 W N 1.587 122.979 121.300 0.154 0.000 2.409 40 W HA -0.145 4.514 4.660 -0.000 0.000 0.299 40 W C 1.556 178.139 176.519 0.107 0.000 1.203 40 W CA 1.028 58.469 57.345 0.160 0.000 1.298 40 W CB -0.116 29.403 29.460 0.099 0.000 1.127 40 W HN 0.101 nan 8.180 nan 0.000 0.528 41 R N 0.030 120.496 120.500 -0.056 0.000 2.148 41 R HA -0.105 4.234 4.340 -0.000 0.000 0.223 41 R C 2.010 178.187 176.300 -0.204 0.000 1.088 41 R CA 1.400 57.379 56.100 -0.201 0.000 0.985 41 R CB -0.586 29.663 30.300 -0.084 0.000 0.880 41 R HN 0.097 nan 8.270 nan 0.000 0.451 42 V N 0.755 120.582 119.914 -0.145 0.000 2.427 42 V HA -0.226 3.893 4.120 -0.000 0.000 0.248 42 V C 1.918 177.938 176.094 -0.124 0.000 1.051 42 V CA 1.568 63.754 62.300 -0.190 0.000 1.048 42 V CB -0.566 31.135 31.823 -0.203 0.000 0.666 42 V HN 0.226 nan 8.190 nan 0.000 0.456 43 F N 0.459 120.263 119.950 -0.244 0.000 2.259 43 F HA -0.048 4.479 4.527 -0.000 0.000 0.298 43 F C 1.908 177.485 175.800 -0.371 0.000 1.088 43 F CA 1.300 59.128 58.000 -0.287 0.000 1.358 43 F CB -0.318 38.512 39.000 -0.284 0.000 1.040 43 F HN 0.023 nan 8.300 nan 0.000 0.505 44 L N -0.154 120.599 121.223 -0.784 0.000 2.027 44 L HA -0.193 4.147 4.340 -0.000 0.000 0.206 44 L C 2.578 179.163 176.870 -0.475 0.000 1.074 44 L CA 1.462 55.818 54.840 -0.807 0.000 0.745 44 L CB -0.863 40.769 42.059 -0.713 0.000 0.898 44 L HN 0.175 nan 8.230 nan 0.000 0.433 45 Q N -0.843 118.781 119.800 -0.293 0.000 2.123 45 Q HA -0.127 4.213 4.340 -0.000 0.000 0.199 45 Q C 2.108 178.055 176.000 -0.088 0.000 0.966 45 Q CA 1.816 57.510 55.803 -0.182 0.000 0.845 45 Q CB 0.016 28.662 28.738 -0.152 0.000 0.907 45 Q HN 0.530 nan 8.270 nan 0.000 0.439 46 T N -1.276 113.276 114.554 -0.004 0.000 2.684 46 T HA 0.028 4.378 4.350 -0.000 0.000 0.253 46 T C 1.322 175.970 174.700 -0.087 0.000 1.057 46 T CA 1.358 63.478 62.100 0.034 0.000 1.162 46 T CB -0.259 68.594 68.868 -0.026 0.000 0.868 46 T HN 0.549 nan 8.240 nan 0.000 0.409 47 G N 0.565 109.247 108.800 -0.196 0.000 2.184 47 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.206 47 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.206 47 G C -0.085 174.759 174.900 -0.093 0.000 0.995 47 G CA -0.388 44.568 45.100 -0.239 0.000 0.651 47 G HN 0.471 nan 8.290 nan 0.000 0.511 48 L N 1.079 122.297 121.223 -0.008 0.000 2.322 48 L HA 0.505 4.844 4.340 -0.000 0.000 0.281 48 L C -2.150 174.755 176.870 0.058 0.000 1.014 48 L CA -2.416 52.417 54.840 -0.011 0.000 0.815 48 L CB 1.944 43.968 42.059 -0.058 0.000 1.247 48 L HN -0.202 nan 8.230 nan 0.000 0.421 49 P HA -0.036 nan 4.420 nan 0.000 0.263 49 P C -0.884 176.357 177.300 -0.100 0.000 1.168 49 P CA 0.618 63.512 63.100 -0.343 0.000 0.759 49 P CB 0.461 31.729 31.700 -0.720 0.000 0.782 50 T N 3.441 117.972 114.554 -0.039 0.000 2.900 50 T HA 0.714 5.064 4.350 -0.000 0.000 0.295 50 T C -0.647 174.233 174.700 0.301 0.000 1.044 50 T CA -0.329 61.856 62.100 0.142 0.000 0.995 50 T CB 0.768 69.742 68.868 0.176 0.000 1.072 50 T HN 0.259 nan 8.240 nan 0.000 0.473 51 F N -0.312 119.810 119.950 0.286 0.000 2.603 51 F HA 0.772 5.299 4.527 -0.000 0.000 0.317 51 F C -0.600 175.332 175.800 0.221 0.000 1.066 51 F CA -1.480 56.671 58.000 0.252 0.000 0.941 51 F CB 1.571 40.746 39.000 0.292 0.000 1.291 51 F HN 0.384 nan 8.300 nan 0.000 0.472 52 R N 2.770 123.463 120.500 0.321 0.000 2.246 52 R HA 0.399 4.739 4.340 -0.000 0.000 0.332 52 R C -0.969 175.410 176.300 0.132 0.000 0.974 52 R CA -0.697 55.397 56.100 -0.011 0.000 0.837 52 R CB 0.856 31.082 30.300 -0.123 0.000 1.145 52 R HN 0.934 nan 8.270 nan 0.000 0.467 53 R N 4.089 124.637 120.500 0.079 0.000 2.369 53 R HA 0.057 4.396 4.340 -0.000 0.000 0.310 53 R C 0.100 176.433 176.300 0.056 0.000 1.141 53 R CA -0.162 56.004 56.100 0.110 0.000 1.116 53 R CB 0.334 30.626 30.300 -0.015 0.000 1.135 53 R HN 0.822 nan 8.270 nan 0.000 0.529 54 E N 1.084 121.300 120.200 0.027 0.000 3.869 54 E HA -0.366 3.984 4.350 -0.000 0.000 0.266 54 E C 0.116 176.699 176.600 -0.027 0.000 1.286 54 E CA 2.206 58.618 56.400 0.020 0.000 2.002 54 E CB -0.642 29.092 29.700 0.056 0.000 1.775 54 E HN 0.627 nan 8.360 nan 0.000 0.302 55 D N 1.249 121.659 120.400 0.016 0.000 2.423 55 D HA 0.113 4.753 4.640 -0.000 0.000 0.212 55 D C -0.023 176.306 176.300 0.048 0.000 1.060 55 D CA 0.316 54.341 54.000 0.042 0.000 0.872 55 D CB 0.292 41.161 40.800 0.114 0.000 1.012 55 D HN 0.228 nan 8.370 nan 0.000 0.503 56 E N 0.306 120.554 120.200 0.080 0.000 2.259 56 E HA 0.220 4.570 4.350 -0.000 0.000 0.281 56 E C -0.638 176.030 176.600 0.113 0.000 1.027 56 E CA -0.301 56.213 56.400 0.190 0.000 0.838 56 E CB 0.927 30.814 29.700 0.311 0.000 1.066 56 E HN -0.077 nan 8.360 nan 0.000 0.401 57 F N 2.693 122.757 119.950 0.191 0.000 2.303 57 F HA 0.227 4.754 4.527 -0.000 0.000 0.368 57 F C -0.450 175.412 175.800 0.103 0.000 1.105 57 F CA -0.832 57.270 58.000 0.170 0.000 1.153 57 F CB 0.279 39.361 39.000 0.137 0.000 1.362 57 F HN 0.391 nan 8.300 nan 0.000 0.511 58 W N 3.111 124.284 121.300 -0.211 0.000 2.304 58 W HA 0.465 5.125 4.660 -0.001 0.000 0.313 58 W C -0.458 175.960 176.519 -0.168 0.000 1.323 58 W CA -0.732 56.442 57.345 -0.285 0.000 1.223 58 W CB 0.666 29.636 29.460 -0.816 0.000 1.237 58 W HN 0.300 nan 8.180 nan 0.000 0.535 59 C N 2.973 122.313 119.300 0.067 0.000 2.417 59 C HA 0.690 5.150 4.460 -0.000 0.000 0.324 59 C C 0.762 175.421 174.990 -0.552 0.000 1.240 59 C CA -1.195 57.763 59.018 -0.099 0.000 1.632 59 C CB 0.633 28.386 27.740 0.021 0.000 2.241 59 C HN 0.745 nan 8.230 nan 0.000 0.499 60 A N 3.090 125.468 122.820 -0.736 0.000 2.899 60 A HA 0.580 4.900 4.320 -0.000 0.000 0.287 60 A C 0.850 178.173 177.584 -0.435 0.000 1.715 60 A CA 0.926 52.326 52.037 -1.062 0.000 1.393 60 A CB -1.132 17.572 19.000 -0.495 0.000 1.070 60 A HN 1.939 nan 8.150 nan 0.000 0.587 61 G N 1.084 109.679 108.800 -0.341 0.000 2.331 61 G HA2 0.077 4.037 3.960 -0.000 0.000 0.402 61 G HA3 0.077 4.037 3.960 -0.000 0.000 0.402 61 G C -0.955 173.929 174.900 -0.027 0.000 1.275 61 G CA -1.044 44.016 45.100 -0.068 0.000 1.003 61 G HN 0.582 nan 8.290 nan 0.000 0.500 62 K N -0.020 120.391 120.400 0.017 0.000 2.213 62 K HA 0.586 4.906 4.320 -0.000 0.000 0.270 62 K C -0.397 176.225 176.600 0.037 0.000 1.002 62 K CA -0.694 55.608 56.287 0.025 0.000 0.868 62 K CB 2.321 34.840 32.500 0.032 0.000 1.093 62 K HN 0.434 nan 8.250 nan 0.000 0.454 63 V N 2.900 122.848 119.914 0.057 0.000 2.347 63 V HA 0.172 4.291 4.120 -0.000 0.000 0.280 63 V C 0.100 176.242 176.094 0.079 0.000 1.021 63 V CA -0.940 61.414 62.300 0.090 0.000 0.847 63 V CB 0.953 32.884 31.823 0.180 0.000 0.990 63 V HN 0.712 nan 8.190 nan 0.000 0.444 64 E N 3.273 123.506 120.200 0.056 0.000 2.354 64 E HA 0.291 4.641 4.350 -0.000 0.000 0.269 64 E C 0.167 176.796 176.600 0.047 0.000 1.036 64 E CA -0.365 56.060 56.400 0.042 0.000 0.876 64 E CB 0.488 30.204 29.700 0.026 0.000 1.009 64 E HN 0.632 nan 8.360 nan 0.000 0.416 65 K N 0.573 120.997 120.400 0.040 0.000 3.349 65 K HA -0.192 4.128 4.320 -0.000 0.000 0.310 65 K C -0.337 176.300 176.600 0.063 0.000 1.267 65 K CA 1.178 57.487 56.287 0.036 0.000 0.920 65 K CB -1.174 31.335 32.500 0.016 0.000 1.240 65 K HN 0.733 nan 8.250 nan 0.000 0.453 66 D N 0.667 121.137 120.400 0.116 0.000 2.434 66 D HA -0.001 4.639 4.640 -0.000 0.000 0.252 66 D C 0.297 176.720 176.300 0.205 0.000 1.185 66 D CA 0.763 54.897 54.000 0.223 0.000 0.886 66 D CB 1.189 42.230 40.800 0.401 0.000 1.148 66 D HN 0.143 nan 8.370 nan 0.000 0.483 67 T N 2.500 117.172 114.554 0.196 0.000 3.518 67 T HA 0.196 4.545 4.350 -0.000 0.000 0.211 67 T C 0.572 175.415 174.700 0.239 0.000 0.940 67 T CA -0.173 62.020 62.100 0.154 0.000 1.307 67 T CB 0.035 68.943 68.868 0.067 0.000 1.392 67 T HN 0.253 nan 8.240 nan 0.000 0.382 68 L N 0.636 121.955 121.223 0.160 0.000 2.342 68 L HA 0.568 4.908 4.340 -0.000 0.000 0.271 68 L C -1.561 175.356 176.870 0.078 0.000 1.008 68 L CA -0.942 53.993 54.840 0.158 0.000 0.818 68 L CB 1.406 43.498 42.059 0.057 0.000 1.296 68 L HN 0.292 nan 8.230 nan 0.000 0.427 69 Y N 2.817 123.045 120.300 -0.120 0.000 2.328 69 Y HA 0.489 5.039 4.550 -0.000 0.000 0.333 69 Y C -0.343 175.463 175.900 -0.156 0.000 0.958 69 Y CA -0.554 57.410 58.100 -0.227 0.000 1.167 69 Y CB 1.381 39.565 38.460 -0.460 0.000 1.151 69 Y HN 0.327 nan 8.280 nan 0.000 0.470 70 L N 4.804 125.951 121.223 -0.127 0.000 2.701 70 L HA 0.293 4.632 4.340 -0.000 0.000 0.237 70 L C 0.221 177.032 176.870 -0.099 0.000 1.204 70 L CA -0.628 54.162 54.840 -0.082 0.000 1.109 70 L CB -0.221 41.785 42.059 -0.089 0.000 1.409 70 L HN 0.577 nan 8.230 nan 0.000 0.428 71 T N -0.917 113.588 114.554 -0.082 0.000 2.884 71 T HA 0.444 4.794 4.350 -0.000 0.000 0.298 71 T C -0.399 174.250 174.700 -0.085 0.000 0.998 71 T CA -0.512 61.531 62.100 -0.094 0.000 1.124 71 T CB 1.970 70.777 68.868 -0.102 0.000 0.931 71 T HN 0.190 nan 8.240 nan 0.000 0.531 72 L N 3.551 124.723 121.223 -0.084 0.000 2.313 72 L HA 0.575 4.914 4.340 -0.000 0.000 0.283 72 L C 0.432 177.257 176.870 -0.074 0.000 1.013 72 L CA -0.187 54.604 54.840 -0.082 0.000 0.816 72 L CB 1.578 43.586 42.059 -0.085 0.000 1.236 72 L HN 1.025 nan 8.230 nan 0.000 0.419 73 S N 2.958 118.611 115.700 -0.079 0.000 2.686 73 S HA 0.347 4.817 4.470 -0.000 0.000 0.270 73 S C 0.870 175.411 174.600 -0.099 0.000 1.194 73 S CA -0.561 57.596 58.200 -0.072 0.000 0.990 73 S CB 0.503 63.660 63.200 -0.070 0.000 1.029 73 S HN 0.714 nan 8.310 nan 0.000 0.560 74 N N 0.935 119.566 118.700 -0.116 0.000 2.166 74 N HA -0.057 4.683 4.740 -0.000 0.000 0.186 74 N C 1.897 177.298 175.510 -0.182 0.000 1.019 74 N CA 1.431 54.378 53.050 -0.173 0.000 0.856 74 N CB -1.306 37.034 38.487 -0.245 0.000 0.993 74 N HN 0.815 nan 8.380 nan 0.000 0.426 75 G N 0.174 108.882 108.800 -0.152 0.000 2.545 75 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 75 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 75 G C 0.867 175.687 174.900 -0.134 0.000 1.218 75 G CA 1.491 46.510 45.100 -0.134 0.000 0.787 75 G HN 0.498 nan 8.290 nan 0.000 0.571 76 E N -2.194 117.933 120.200 -0.122 0.000 3.485 76 E HA -0.119 4.231 4.350 -0.000 0.000 0.355 76 E C -0.061 176.481 176.600 -0.096 0.000 0.478 76 E CA -0.156 56.174 56.400 -0.117 0.000 1.349 76 E CB -0.969 28.661 29.700 -0.117 0.000 2.871 76 E HN 0.382 nan 8.360 nan 0.000 0.378 77 I N 2.950 123.464 120.570 -0.094 0.000 2.618 77 I HA 0.082 4.252 4.170 -0.000 0.000 0.284 77 I C 0.654 176.714 176.117 -0.095 0.000 1.146 77 I CA -0.192 61.054 61.300 -0.091 0.000 1.425 77 I CB 0.727 38.665 38.000 -0.102 0.000 1.383 77 I HN -0.167 nan 8.210 nan 0.000 0.562 78 V N 5.612 125.479 119.914 -0.078 0.000 2.567 78 V HA 0.318 4.437 4.120 -0.000 0.000 0.289 78 V C -0.119 175.929 176.094 -0.076 0.000 1.049 78 V CA -0.601 61.661 62.300 -0.062 0.000 0.969 78 V CB 1.340 33.145 31.823 -0.030 0.000 0.995 78 V HN 0.677 nan 8.190 nan 0.000 0.471 79 E N 3.457 123.622 120.200 -0.058 0.000 2.224 79 E HA 0.629 4.979 4.350 -0.000 0.000 0.265 79 E C -0.881 175.804 176.600 0.142 0.000 0.878 79 E CA -0.472 55.910 56.400 -0.030 0.000 0.759 79 E CB 2.216 31.837 29.700 -0.132 0.000 1.164 79 E HN 0.728 nan 8.360 nan 0.000 0.414 80 L N 0.842 122.326 121.223 0.435 0.000 2.334 80 L HA 0.747 5.087 4.340 -0.000 0.000 0.276 80 L C -1.189 175.767 176.870 0.142 0.000 1.014 80 L CA -0.648 54.300 54.840 0.180 0.000 0.815 80 L CB 1.089 43.188 42.059 0.067 0.000 1.268 80 L HN 0.442 nan 8.230 nan 0.000 0.428 81 K N 3.262 123.725 120.400 0.106 0.000 2.543 81 K HA 0.645 4.965 4.320 -0.000 0.000 0.255 81 K C -1.373 175.378 176.600 0.252 0.000 0.934 81 K CA -0.998 55.373 56.287 0.140 0.000 0.810 81 K CB 2.377 34.922 32.500 0.075 0.000 1.315 81 K HN 0.902 nan 8.250 nan 0.000 0.433 82 R N 0.381 121.042 120.500 0.268 0.000 3.474 82 R HA 0.758 5.098 4.340 -0.000 0.000 0.224 82 R C -0.613 175.752 176.300 0.108 0.000 1.554 82 R CA -0.969 55.299 56.100 0.280 0.000 0.952 82 R CB 0.031 30.413 30.300 0.138 0.000 1.691 82 R HN 0.301 nan 8.270 nan 0.000 0.512 83 V N -1.769 118.122 119.914 -0.039 0.000 3.535 83 V HA -0.011 4.108 4.120 -0.000 0.000 0.506 83 V C 0.056 175.946 176.094 -0.339 0.000 0.682 83 V CA 0.454 62.652 62.300 -0.170 0.000 2.058 83 V CB -1.228 30.494 31.823 -0.168 0.000 2.485 83 V HN 1.245 nan 8.190 nan 0.000 0.509 84 G N -0.672 107.951 108.800 -0.294 0.000 3.140 84 G HA2 0.713 4.673 3.960 -0.000 0.000 0.271 84 G HA3 0.713 4.673 3.960 -0.000 0.000 0.271 84 G C -0.660 174.048 174.900 -0.320 0.000 1.370 84 G CA -0.354 44.559 45.100 -0.311 0.000 1.014 84 G HN 1.033 nan 8.290 nan 0.000 0.541 85 E N -0.346 119.702 120.200 -0.253 0.000 2.785 85 E HA 0.136 4.486 4.350 -0.000 0.000 0.285 85 E C -0.273 176.198 176.600 -0.214 0.000 1.006 85 E CA 1.352 57.626 56.400 -0.210 0.000 0.996 85 E CB 0.279 29.916 29.700 -0.105 0.000 1.025 85 E HN 0.400 nan 8.360 nan 0.000 0.467 86 E N 0.518 120.605 120.200 -0.189 0.000 2.401 86 E HA 0.062 4.412 4.350 -0.000 0.000 0.283 86 E C -1.488 175.146 176.600 0.057 0.000 1.053 86 E CA -0.510 55.816 56.400 -0.123 0.000 0.842 86 E CB 1.326 30.843 29.700 -0.305 0.000 1.222 86 E HN 0.365 nan 8.360 nan 0.000 0.429 87 E N 2.047 122.336 120.200 0.149 0.000 2.174 87 E HA 0.180 4.530 4.350 -0.000 0.000 0.282 87 E C -0.704 176.045 176.600 0.247 0.000 0.992 87 E CA -0.480 56.034 56.400 0.190 0.000 0.803 87 E CB 1.231 30.992 29.700 0.102 0.000 1.090 87 E HN 0.299 nan 8.360 nan 0.000 0.396 88 F N 3.620 123.563 119.950 -0.011 0.000 2.541 88 F HA 0.043 4.570 4.527 -0.000 0.000 0.378 88 F C 0.386 176.034 175.800 -0.252 0.000 1.068 88 F CA 0.103 57.968 58.000 -0.226 0.000 1.199 88 F CB 0.290 38.847 39.000 -0.738 0.000 1.091 88 F HN 0.242 nan 8.300 nan 0.000 0.555 89 R N 5.442 125.421 120.500 -0.868 0.000 2.748 89 R HA 0.409 4.749 4.340 -0.000 0.000 0.283 89 R C 0.214 175.918 176.300 -0.994 0.000 1.507 89 R CA -0.128 55.511 56.100 -0.769 0.000 1.666 89 R CB 0.505 30.576 30.300 -0.383 0.000 1.237 89 R HN 1.019 nan 8.270 nan 0.000 0.633 90 G N 0.925 108.750 108.800 -1.626 0.000 2.829 90 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.628 90 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.628 90 G C -0.532 173.766 174.900 -1.002 0.000 1.412 90 G CA -0.821 43.598 45.100 -1.136 0.000 0.864 90 G HN 0.245 nan 8.290 nan 0.000 0.544 91 F N -0.330 119.525 119.950 -0.158 0.000 2.450 91 F HA 0.613 5.140 4.527 -0.000 0.000 0.328 91 F C 1.772 177.567 175.800 -0.009 0.000 1.068 91 F CA -0.531 57.450 58.000 -0.031 0.000 1.007 91 F CB 1.592 40.699 39.000 0.180 0.000 1.251 91 F HN 0.492 nan 8.300 nan 0.000 0.492 92 Q N -0.227 119.696 119.800 0.205 0.000 2.402 92 Q HA 0.223 4.563 4.340 -0.000 0.000 0.231 92 Q C -0.408 175.695 176.000 0.171 0.000 0.888 92 Q CA 0.269 56.147 55.803 0.125 0.000 0.938 92 Q CB 0.536 29.299 28.738 0.042 0.000 1.086 92 Q HN 0.491 nan 8.270 nan 0.000 0.543 93 N N -0.011 118.775 118.700 0.144 0.000 2.405 93 N HA 0.136 4.876 4.740 -0.000 0.000 0.285 93 N C -0.176 175.142 175.510 -0.319 0.000 1.262 93 N CA -0.281 52.773 53.050 0.008 0.000 0.773 93 N CB 1.529 40.000 38.487 -0.026 0.000 1.490 93 N HN -0.052 nan 8.380 nan 0.000 0.486 94 E N 0.272 120.171 120.200 -0.500 0.000 2.158 94 E HA -0.011 4.339 4.350 -0.000 0.000 0.191 94 E C 1.630 177.894 176.600 -0.559 0.000 0.982 94 E CA 0.677 56.528 56.400 -0.916 0.000 0.823 94 E CB 0.392 29.785 29.700 -0.512 0.000 0.766 94 E HN 0.440 nan 8.360 nan 0.000 0.468 95 R N 1.470 121.792 120.500 -0.296 0.000 2.083 95 R HA -0.215 4.125 4.340 -0.000 0.000 0.237 95 R C 1.774 177.984 176.300 -0.150 0.000 1.137 95 R CA 1.835 57.839 56.100 -0.160 0.000 0.951 95 R CB -0.064 30.200 30.300 -0.060 0.000 0.851 95 R HN 0.212 nan 8.270 nan 0.000 0.434 96 E N -0.077 120.025 120.200 -0.162 0.000 2.077 96 E HA -0.241 4.108 4.350 -0.000 0.000 0.193 96 E C 2.225 178.633 176.600 -0.319 0.000 0.989 96 E CA 1.284 57.616 56.400 -0.114 0.000 0.800 96 E CB -0.336 29.286 29.700 -0.130 0.000 0.746 96 E HN 0.437 nan 8.360 nan 0.000 0.452 97 C N 1.219 120.044 119.300 -0.791 0.000 2.429 97 C HA -0.176 4.284 4.460 -0.000 0.000 0.277 97 C C 2.833 177.624 174.990 -0.332 0.000 1.262 97 C CA 1.358 59.735 59.018 -1.070 0.000 1.733 97 C CB -0.730 26.239 27.740 -1.285 0.000 2.010 97 C HN 0.458 nan 8.230 nan 0.000 0.483 98 Q N 0.198 119.829 119.800 -0.281 0.000 2.020 98 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 98 Q C 2.201 178.196 176.000 -0.007 0.000 0.982 98 Q CA 1.972 57.708 55.803 -0.111 0.000 0.838 98 Q CB -0.287 28.374 28.738 -0.129 0.000 0.899 98 Q HN 0.739 nan 8.270 nan 0.000 0.423 99 E N 0.300 120.505 120.200 0.009 0.000 2.049 99 E HA -0.241 4.109 4.350 -0.000 0.000 0.198 99 E C 2.118 178.772 176.600 0.089 0.000 1.007 99 E CA 1.411 57.858 56.400 0.077 0.000 0.809 99 E CB -0.171 29.627 29.700 0.163 0.000 0.749 99 E HN 0.277 nan 8.360 nan 0.000 0.450 100 L N 0.158 121.505 121.223 0.208 0.000 2.027 100 L HA -0.126 4.214 4.340 -0.000 0.000 0.206 100 L C 2.224 179.290 176.870 0.327 0.000 1.074 100 L CA 1.273 56.316 54.840 0.338 0.000 0.745 100 L CB -0.384 42.035 42.059 0.600 0.000 0.898 100 L HN 0.062 nan 8.230 nan 0.000 0.433 101 F N 0.507 120.464 119.950 0.012 0.000 2.091 101 F HA -0.277 4.250 4.527 -0.000 0.000 0.299 101 F C 2.603 178.187 175.800 -0.360 0.000 1.103 101 F CA 1.804 59.511 58.000 -0.488 0.000 1.228 101 F CB -0.323 38.219 39.000 -0.765 0.000 0.984 101 F HN -0.011 nan 8.300 nan 0.000 0.477 102 R N 0.062 120.401 120.500 -0.270 0.000 2.091 102 R HA -0.186 4.154 4.340 -0.000 0.000 0.238 102 R C 1.759 177.830 176.300 -0.381 0.000 1.136 102 R CA 1.724 57.623 56.100 -0.334 0.000 0.959 102 R CB -0.683 29.535 30.300 -0.137 0.000 0.856 102 R HN 0.307 nan 8.270 nan 0.000 0.437 103 D N -0.405 119.732 120.400 -0.437 0.000 2.310 103 D HA -0.115 4.525 4.640 -0.000 0.000 0.212 103 D C 1.422 177.376 176.300 -0.577 0.000 0.965 103 D CA 0.967 54.499 54.000 -0.778 0.000 0.879 103 D CB -0.092 39.917 40.800 -1.318 0.000 0.921 103 D HN 0.161 nan 8.370 nan 0.000 0.510 104 F N 0.319 119.964 119.950 -0.509 0.000 2.270 104 F HA 0.064 4.590 4.527 -0.000 0.000 0.295 104 F C 2.199 177.663 175.800 -0.559 0.000 1.087 104 F CA 0.434 58.134 58.000 -0.501 0.000 1.365 104 F CB -0.071 38.571 39.000 -0.596 0.000 1.056 104 F HN -0.107 nan 8.300 nan 0.000 0.506 105 L N -0.965 119.930 121.223 -0.546 0.000 2.191 105 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 105 L C 2.082 178.791 176.870 -0.268 0.000 1.103 105 L CA 1.182 55.685 54.840 -0.562 0.000 0.769 105 L CB -1.090 40.512 42.059 -0.761 0.000 0.908 105 L HN 0.153 nan 8.230 nan 0.000 0.438 106 T N -0.953 113.493 114.554 -0.180 0.000 2.755 106 T HA -0.104 4.246 4.350 -0.000 0.000 0.251 106 T C 1.902 176.606 174.700 0.007 0.000 1.044 106 T CA 0.789 62.885 62.100 -0.006 0.000 1.154 106 T CB -0.001 68.964 68.868 0.162 0.000 0.866 106 T HN -0.026 nan 8.240 nan 0.000 0.416 107 K N 1.391 121.792 120.400 0.002 0.000 2.280 107 K HA -0.015 4.305 4.320 -0.000 0.000 0.202 107 K C 1.738 178.285 176.600 -0.088 0.000 1.047 107 K CA 1.239 57.506 56.287 -0.034 0.000 0.942 107 K CB -0.601 31.866 32.500 -0.055 0.000 0.739 107 K HN 0.308 nan 8.250 nan 0.000 0.457 108 T N 0.068 114.547 114.554 -0.126 0.000 3.086 108 T HA 0.129 4.478 4.350 -0.000 0.000 0.250 108 T C -0.062 174.606 174.700 -0.053 0.000 1.074 108 T CA -0.163 61.872 62.100 -0.109 0.000 0.988 108 T CB -0.049 68.719 68.868 -0.167 0.000 0.988 108 T HN 0.222 nan 8.240 nan 0.000 0.530 109 K N 0.452 120.823 120.400 -0.047 0.000 2.960 109 K HA -0.179 4.141 4.320 -0.000 0.000 0.259 109 K C 1.152 177.758 176.600 0.010 0.000 1.025 109 K CA 0.327 56.607 56.287 -0.013 0.000 0.756 109 K CB -1.926 30.575 32.500 0.002 0.000 1.221 109 K HN 0.266 nan 8.250 nan 0.000 0.483 110 V N 0.494 120.407 119.914 -0.003 0.000 2.626 110 V HA -0.195 3.925 4.120 -0.000 0.000 0.252 110 V C 2.222 178.409 176.094 0.155 0.000 1.067 110 V CA 2.002 64.344 62.300 0.069 0.000 1.081 110 V CB -0.149 31.714 31.823 0.066 0.000 0.686 110 V HN 0.378 nan 8.190 nan 0.000 0.468 111 K N -0.734 119.733 120.400 0.113 0.000 2.243 111 K HA -0.089 4.231 4.320 -0.000 0.000 0.201 111 K C 1.588 178.271 176.600 0.139 0.000 1.051 111 K CA 1.231 57.618 56.287 0.167 0.000 0.970 111 K CB 0.004 32.552 32.500 0.080 0.000 0.755 111 K HN 0.523 nan 8.250 nan 0.000 0.465 112 D N 0.565 121.010 120.400 0.074 0.000 2.194 112 D HA -0.120 4.520 4.640 -0.000 0.000 0.204 112 D C 1.642 177.960 176.300 0.029 0.000 0.964 112 D CA 0.787 54.805 54.000 0.030 0.000 0.846 112 D CB 0.146 40.954 40.800 0.012 0.000 0.962 112 D HN 0.141 nan 8.370 nan 0.000 0.490 113 K N -0.101 120.343 120.400 0.073 0.000 2.097 113 K HA -0.116 4.203 4.320 -0.000 0.000 0.205 113 K C 2.016 178.684 176.600 0.114 0.000 1.050 113 K CA 0.452 56.786 56.287 0.078 0.000 0.938 113 K CB -0.097 32.459 32.500 0.093 0.000 0.718 113 K HN -0.003 nan 8.250 nan 0.000 0.442 114 F N 1.744 121.709 119.950 0.025 0.000 2.084 114 F HA -0.139 4.388 4.527 -0.000 0.000 0.296 114 F C 1.912 177.757 175.800 0.076 0.000 1.111 114 F CA 1.251 59.281 58.000 0.050 0.000 1.224 114 F CB -0.345 38.654 39.000 -0.001 0.000 0.991 114 F HN -0.086 nan 8.300 nan 0.000 0.471 115 I N 0.113 120.666 120.570 -0.030 0.000 2.194 115 I HA -0.392 3.778 4.170 -0.000 0.000 0.246 115 I C 2.719 178.642 176.117 -0.323 0.000 1.093 115 I CA 1.897 63.102 61.300 -0.158 0.000 1.355 115 I CB -0.625 37.305 38.000 -0.116 0.000 1.046 115 I HN 0.349 nan 8.210 nan 0.000 0.413 116 S N -0.223 115.318 115.700 -0.266 0.000 2.428 116 S HA -0.170 4.300 4.470 -0.000 0.000 0.230 116 S C 1.489 176.055 174.600 -0.057 0.000 1.014 116 S CA 1.480 59.540 58.200 -0.234 0.000 0.957 116 S CB -0.341 62.773 63.200 -0.143 0.000 0.784 116 S HN 0.384 nan 8.310 nan 0.000 0.499 117 D N -0.013 120.367 120.400 -0.032 0.000 2.323 117 D HA 0.192 4.832 4.640 -0.000 0.000 0.209 117 D C 1.132 177.469 176.300 0.061 0.000 0.973 117 D CA 0.358 54.379 54.000 0.035 0.000 0.874 117 D CB -0.244 40.602 40.800 0.077 0.000 0.930 117 D HN 0.504 nan 8.370 nan 0.000 0.521 118 F N -0.465 119.373 119.950 -0.186 0.000 2.569 118 F HA -0.014 4.512 4.527 -0.000 0.000 0.295 118 F C 1.207 177.138 175.800 0.220 0.000 1.115 118 F CA 0.679 58.591 58.000 -0.146 0.000 1.450 118 F CB 0.170 38.866 39.000 -0.506 0.000 1.107 118 F HN -0.087 nan 8.300 nan 0.000 0.563 119 Y N 0.576 120.915 120.300 0.065 0.000 2.269 119 Y HA -0.009 4.541 4.550 -0.000 0.000 0.294 119 Y C 2.259 178.176 175.900 0.028 0.000 1.120 119 Y CA 0.738 58.876 58.100 0.063 0.000 1.159 119 Y CB -0.832 37.666 38.460 0.063 0.000 1.024 119 Y HN -0.090 nan 8.280 nan 0.000 0.532 120 K N 0.444 120.960 120.400 0.193 0.000 2.044 120 K HA -0.213 4.107 4.320 -0.000 0.000 0.210 120 K C 1.796 178.419 176.600 0.038 0.000 1.049 120 K CA 1.985 58.331 56.287 0.098 0.000 0.927 120 K CB -0.158 32.387 32.500 0.075 0.000 0.713 120 K HN 0.348 nan 8.250 nan 0.000 0.443 121 K N -0.673 119.749 120.400 0.037 0.000 2.166 121 K HA 0.034 4.354 4.320 -0.000 0.000 0.201 121 K C 1.566 178.005 176.600 -0.269 0.000 1.052 121 K CA 0.756 56.982 56.287 -0.102 0.000 0.969 121 K CB 0.137 32.584 32.500 -0.089 0.000 0.761 121 K HN 0.026 nan 8.250 nan 0.000 0.459 122 F N 1.071 120.818 119.950 -0.338 0.000 2.695 122 F HA 0.275 4.802 4.527 -0.000 0.000 0.303 122 F C 1.843 177.496 175.800 -0.245 0.000 1.091 122 F CA -0.462 57.304 58.000 -0.390 0.000 1.300 122 F CB 0.016 38.533 39.000 -0.805 0.000 1.071 122 F HN -0.177 nan 8.300 nan 0.000 0.578 123 R N 0.900 121.392 120.500 -0.013 0.000 2.154 123 R HA -0.185 4.155 4.340 -0.000 0.000 0.248 123 R C 1.449 177.742 176.300 -0.012 0.000 1.155 123 R CA 1.964 58.050 56.100 -0.025 0.000 0.979 123 R CB -0.318 30.002 30.300 0.033 0.000 0.869 123 R HN 0.315 nan 8.270 nan 0.000 0.452 124 D N -0.153 120.225 120.400 -0.037 0.000 2.162 124 D HA -0.118 4.522 4.640 -0.000 0.000 0.203 124 D C 1.421 177.693 176.300 -0.047 0.000 0.967 124 D CA 1.082 55.055 54.000 -0.044 0.000 0.840 124 D CB -0.060 40.694 40.800 -0.078 0.000 0.972 124 D HN 0.311 nan 8.370 nan 0.000 0.482 125 K N 0.461 120.826 120.400 -0.059 0.000 2.137 125 K HA 0.128 4.447 4.320 -0.000 0.000 0.202 125 K C 2.377 178.965 176.600 -0.020 0.000 1.052 125 K CA 0.207 56.469 56.287 -0.041 0.000 0.961 125 K CB 0.277 32.756 32.500 -0.035 0.000 0.741 125 K HN 0.081 nan 8.250 nan 0.000 0.452 126 I N 1.582 122.147 120.570 -0.008 0.000 2.361 126 I HA -0.145 4.025 4.170 -0.000 0.000 0.251 126 I C 0.543 176.659 176.117 -0.002 0.000 1.133 126 I CA 0.832 62.118 61.300 -0.022 0.000 1.413 126 I CB -0.219 37.746 38.000 -0.059 0.000 1.073 126 I HN 0.083 nan 8.210 nan 0.000 0.424 127 T N 1.703 116.278 114.554 0.034 0.000 2.856 127 T HA 0.427 4.777 4.350 -0.000 0.000 0.292 127 T C -0.227 174.500 174.700 0.046 0.000 0.980 127 T CA -0.278 61.882 62.100 0.100 0.000 1.091 127 T CB 2.133 71.087 68.868 0.143 0.000 0.936 127 T HN -0.208 nan 8.240 nan 0.000 0.503 128 V N 3.162 123.112 119.914 0.061 0.000 2.735 128 V HA 0.491 4.611 4.120 -0.000 0.000 0.310 128 V C -0.543 175.554 176.094 0.004 0.000 1.061 128 V CA -0.933 61.379 62.300 0.021 0.000 0.913 128 V CB 2.070 33.906 31.823 0.022 0.000 1.005 128 V HN 0.816 nan 8.190 nan 0.000 0.428 129 Q N 1.150 120.935 119.800 -0.024 0.000 2.377 129 Q HA 0.810 5.150 4.340 -0.000 0.000 0.271 129 Q C 0.044 176.022 176.000 -0.036 0.000 1.077 129 Q CA -0.236 55.538 55.803 -0.049 0.000 0.820 129 Q CB 2.580 31.275 28.738 -0.072 0.000 1.347 129 Q HN 0.989 nan 8.270 nan 0.000 0.444 130 G N 0.448 109.224 108.800 -0.040 0.000 3.022 130 G HA2 0.468 4.428 3.960 -0.000 0.000 0.284 130 G HA3 0.468 4.428 3.960 -0.000 0.000 0.284 130 G C -1.449 173.428 174.900 -0.040 0.000 1.375 130 G CA -0.699 44.382 45.100 -0.031 0.000 0.902 130 G HN 0.362 nan 8.290 nan 0.000 0.538 131 K N 1.091 121.471 120.400 -0.034 0.000 2.267 131 K HA 0.236 4.555 4.320 -0.000 0.000 0.282 131 K C -0.044 176.532 176.600 -0.039 0.000 1.078 131 K CA -0.219 56.046 56.287 -0.036 0.000 0.903 131 K CB -0.040 32.442 32.500 -0.030 0.000 1.111 131 K HN 0.584 nan 8.250 nan 0.000 0.475 132 N N 2.043 120.715 118.700 -0.046 0.000 3.002 132 N HA -0.173 4.567 4.740 -0.000 0.000 0.229 132 N C -0.597 174.879 175.510 -0.056 0.000 0.927 132 N CA 0.709 53.729 53.050 -0.050 0.000 0.980 132 N CB -0.754 37.705 38.487 -0.046 0.000 1.077 132 N HN 0.722 nan 8.380 nan 0.000 0.572 133 R N 0.312 120.779 120.500 -0.055 0.000 2.634 133 R HA 0.407 4.747 4.340 -0.000 0.000 0.263 133 R C -1.848 174.420 176.300 -0.053 0.000 1.060 133 R CA -0.589 55.482 56.100 -0.049 0.000 0.898 133 R CB 1.795 32.074 30.300 -0.035 0.000 1.253 133 R HN 0.045 nan 8.270 nan 0.000 0.461 134 K N 4.416 124.789 120.400 -0.046 0.000 2.507 134 K HA 0.483 4.803 4.320 -0.000 0.000 0.252 134 K C -1.175 175.529 176.600 0.174 0.000 0.943 134 K CA -0.539 55.701 56.287 -0.078 0.000 0.808 134 K CB 1.215 33.486 32.500 -0.381 0.000 1.142 134 K HN 0.452 nan 8.250 nan 0.000 0.426 135 I N 2.158 122.856 120.570 0.214 0.000 2.797 135 I HA 0.626 4.796 4.170 -0.000 0.000 0.307 135 I C -0.451 175.863 176.117 0.328 0.000 1.033 135 I CA -1.102 60.362 61.300 0.273 0.000 1.071 135 I CB 2.123 40.197 38.000 0.123 0.000 1.255 135 I HN 0.624 nan 8.210 nan 0.000 0.445 136 A N 4.771 127.677 122.820 0.144 0.000 2.414 136 A HA 0.799 5.119 4.320 -0.000 0.000 0.306 136 A C -0.994 176.588 177.584 -0.005 0.000 1.054 136 A CA -0.503 51.542 52.037 0.013 0.000 0.724 136 A CB 1.210 20.040 19.000 -0.284 0.000 1.267 136 A HN 0.670 nan 8.150 nan 0.000 0.418 137 L N 3.230 124.459 121.223 0.011 0.000 2.475 137 L HA 0.329 4.669 4.340 -0.000 0.000 0.253 137 L C -0.455 176.538 176.870 0.204 0.000 1.137 137 L CA 0.005 54.897 54.840 0.088 0.000 1.058 137 L CB -0.195 41.862 42.059 -0.003 0.000 1.382 137 L HN 0.575 nan 8.230 nan 0.000 0.416 138 I N 3.650 124.289 120.570 0.115 0.000 2.683 138 I HA 0.056 4.225 4.170 -0.000 0.000 0.286 138 I C -1.933 174.263 176.117 0.132 0.000 1.175 138 I CA -1.284 60.083 61.300 0.112 0.000 1.429 138 I CB 0.584 38.620 38.000 0.060 0.000 1.371 138 I HN 0.223 nan 8.210 nan 0.000 0.569 139 P HA 0.160 nan 4.420 nan 0.000 0.285 139 P C -1.351 175.837 177.300 -0.187 0.000 1.259 139 P CA -0.496 62.429 63.100 -0.291 0.000 0.794 139 P CB 0.639 32.096 31.700 -0.406 0.000 0.940 140 E N 1.627 121.667 120.200 -0.267 0.000 2.210 140 E HA 0.495 4.844 4.350 -0.000 0.000 0.266 140 E C -1.355 175.133 176.600 -0.185 0.000 0.883 140 E CA -1.160 55.144 56.400 -0.160 0.000 0.761 140 E CB 1.438 31.064 29.700 -0.123 0.000 1.156 140 E HN 0.023 nan 8.360 nan 0.000 0.412 141 V N 2.600 122.443 119.914 -0.117 0.000 2.304 141 V HA 0.325 4.445 4.120 -0.000 0.000 0.278 141 V C -0.840 175.202 176.094 -0.086 0.000 1.018 141 V CA -1.076 61.155 62.300 -0.115 0.000 0.814 141 V CB 0.418 32.190 31.823 -0.085 0.000 1.021 141 V HN 0.593 nan 8.190 nan 0.000 0.440 142 N N 3.532 122.162 118.700 -0.117 0.000 2.425 142 N HA 0.597 5.337 4.740 -0.000 0.000 0.268 142 N C -0.525 174.881 175.510 -0.173 0.000 0.991 142 N CA -0.488 52.486 53.050 -0.127 0.000 0.931 142 N CB 1.772 40.176 38.487 -0.137 0.000 1.130 142 N HN 0.688 nan 8.380 nan 0.000 0.493 143 E N 1.125 121.254 120.200 -0.119 0.000 2.187 143 E HA 0.524 4.874 4.350 -0.000 0.000 0.268 143 E C -0.735 175.798 176.600 -0.112 0.000 0.896 143 E CA -0.556 55.784 56.400 -0.100 0.000 0.766 143 E CB 2.091 31.839 29.700 0.080 0.000 1.142 143 E HN 0.232 nan 8.360 nan 0.000 0.408 144 K N 0.999 121.310 120.400 -0.149 0.000 2.464 144 K HA 0.529 4.848 4.320 -0.000 0.000 0.253 144 K C -1.360 175.198 176.600 -0.070 0.000 0.933 144 K CA -0.851 55.383 56.287 -0.088 0.000 0.801 144 K CB 2.384 34.852 32.500 -0.054 0.000 1.271 144 K HN 0.211 nan 8.250 nan 0.000 0.430 145 V N 5.216 125.057 119.914 -0.121 0.000 2.364 145 V HA 0.342 4.461 4.120 -0.000 0.000 0.272 145 V C -0.021 175.983 176.094 -0.150 0.000 1.036 145 V CA -0.566 61.628 62.300 -0.177 0.000 0.880 145 V CB 0.488 32.119 31.823 -0.320 0.000 0.991 145 V HN 0.570 nan 8.190 nan 0.000 0.460 146 L N 3.941 125.128 121.223 -0.060 0.000 2.347 146 L HA 0.711 5.051 4.340 -0.000 0.000 0.268 146 L C -0.122 176.798 176.870 0.083 0.000 1.019 146 L CA -1.035 53.801 54.840 -0.008 0.000 0.806 146 L CB 1.547 43.615 42.059 0.016 0.000 1.339 146 L HN 0.461 nan 8.230 nan 0.000 0.463 147 K N 0.214 120.704 120.400 0.149 0.000 2.443 147 K HA 0.355 4.674 4.320 -0.000 0.000 0.252 147 K C -0.452 176.286 176.600 0.230 0.000 0.933 147 K CA -0.420 56.037 56.287 0.284 0.000 0.792 147 K CB 1.940 34.612 32.500 0.286 0.000 1.185 147 K HN 0.766 nan 8.250 nan 0.000 0.425 148 S N 1.553 117.413 115.700 0.267 0.000 2.626 148 S HA 0.025 4.494 4.470 -0.000 0.000 0.257 148 S C 1.153 175.858 174.600 0.175 0.000 1.288 148 S CA -0.275 58.102 58.200 0.295 0.000 0.980 148 S CB 1.190 64.616 63.200 0.377 0.000 0.975 148 S HN 0.844 nan 8.310 nan 0.000 0.577 149 E N 0.597 120.866 120.200 0.115 0.000 2.051 149 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 149 E C 1.837 178.463 176.600 0.044 0.000 0.991 149 E CA 1.417 57.842 56.400 0.042 0.000 0.799 149 E CB -0.222 29.458 29.700 -0.032 0.000 0.748 149 E HN 0.801 nan 8.360 nan 0.000 0.449 150 E N -1.179 119.074 120.200 0.087 0.000 2.150 150 E HA -0.079 4.270 4.350 -0.000 0.000 0.193 150 E C 1.322 177.876 176.600 -0.077 0.000 0.985 150 E CA 0.759 57.207 56.400 0.080 0.000 0.814 150 E CB 0.207 30.075 29.700 0.279 0.000 0.752 150 E HN 0.483 nan 8.360 nan 0.000 0.466 151 G N 0.094 108.848 108.800 -0.077 0.000 2.273 151 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.162 151 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.162 151 G C -0.270 174.388 174.900 -0.403 0.000 1.006 151 G CA -0.498 44.451 45.100 -0.250 0.000 0.704 151 G HN 0.135 nan 8.290 nan 0.000 0.487 152 Y N 0.499 120.766 120.300 -0.055 0.000 2.304 152 Y HA 0.634 5.184 4.550 -0.000 0.000 0.327 152 Y C 0.961 176.896 175.900 0.058 0.000 1.209 152 Y CA -0.694 57.356 58.100 -0.084 0.000 1.299 152 Y CB 0.558 39.023 38.460 0.008 0.000 1.249 152 Y HN 0.073 nan 8.280 nan 0.000 0.519 153 F N 3.096 123.151 119.950 0.175 0.000 2.412 153 F HA 0.360 4.887 4.527 -0.000 0.000 0.348 153 F C -0.167 175.683 175.800 0.083 0.000 1.102 153 F CA -0.701 57.351 58.000 0.086 0.000 1.196 153 F CB 0.537 39.555 39.000 0.030 0.000 1.144 153 F HN 0.128 nan 8.300 nan 0.000 0.541 154 L N 4.730 126.092 121.223 0.233 0.000 2.322 154 L HA 0.407 4.747 4.340 -0.000 0.000 0.281 154 L C -0.758 176.129 176.870 0.028 0.000 1.014 154 L CA -1.115 53.785 54.840 0.098 0.000 0.815 154 L CB 1.854 43.921 42.059 0.012 0.000 1.247 154 L HN 0.451 nan 8.230 nan 0.000 0.421 155 L N 3.576 124.809 121.223 0.017 0.000 2.261 155 L HA 0.312 4.652 4.340 -0.000 0.000 0.289 155 L C -0.178 176.756 176.870 0.107 0.000 1.059 155 L CA -0.021 54.793 54.840 -0.042 0.000 0.816 155 L CB 0.234 42.186 42.059 -0.179 0.000 1.191 155 L HN 0.441 nan 8.230 nan 0.000 0.431 156 H N 5.778 124.821 119.070 -0.045 0.000 2.723 156 H HA 0.513 5.069 4.556 -0.000 0.000 0.294 156 H C -1.531 173.806 175.328 0.016 0.000 1.079 156 H CA -0.603 55.425 56.048 -0.034 0.000 1.411 156 H CB 0.919 30.639 29.762 -0.070 0.000 1.439 156 H HN 0.601 nan 8.280 nan 0.000 0.474 157 L N 5.824 127.167 121.223 0.199 0.000 2.381 157 L HA 0.481 4.821 4.340 -0.000 0.000 0.274 157 L C -1.275 175.631 176.870 0.060 0.000 0.988 157 L CA -0.363 54.496 54.840 0.031 0.000 0.824 157 L CB 1.745 43.850 42.059 0.076 0.000 1.263 157 L HN 0.724 nan 8.230 nan 0.000 0.410 158 D N 3.068 123.426 120.400 -0.070 0.000 2.531 158 D HA 0.566 5.206 4.640 -0.000 0.000 0.244 158 D C -1.837 174.401 176.300 -0.104 0.000 1.090 158 D CA -0.288 53.704 54.000 -0.014 0.000 0.989 158 D CB 2.618 43.436 40.800 0.031 0.000 1.433 158 D HN 0.541 nan 8.370 nan 0.000 0.492 159 L N 1.409 122.566 121.223 -0.109 0.000 2.446 159 L HA 0.461 4.801 4.340 -0.000 0.000 0.268 159 L C -1.068 175.639 176.870 -0.272 0.000 0.975 159 L CA -0.249 54.448 54.840 -0.239 0.000 0.848 159 L CB 1.212 43.108 42.059 -0.271 0.000 1.225 159 L HN 0.260 nan 8.230 nan 0.000 0.410 160 K N 3.759 123.957 120.400 -0.336 0.000 2.352 160 K HA 0.625 4.945 4.320 -0.000 0.000 0.240 160 K C -1.501 174.801 176.600 -0.496 0.000 1.017 160 K CA -0.585 55.542 56.287 -0.267 0.000 0.851 160 K CB 2.056 34.495 32.500 -0.102 0.000 1.261 160 K HN 0.297 nan 8.250 nan 0.000 0.451 161 F N 1.133 121.073 119.950 -0.017 0.000 2.403 161 F HA 0.343 4.870 4.527 -0.000 0.000 0.355 161 F C 0.175 175.964 175.800 -0.018 0.000 1.119 161 F CA -0.808 57.182 58.000 -0.016 0.000 1.007 161 F CB 1.462 40.465 39.000 0.004 0.000 1.194 161 F HN 0.161 nan 8.300 nan 0.000 0.443 162 R N 4.137 124.700 120.500 0.105 0.000 2.248 162 R HA 0.446 4.786 4.340 -0.000 0.000 0.328 162 R C -0.866 175.474 176.300 0.066 0.000 1.067 162 R CA -0.174 55.954 56.100 0.047 0.000 0.924 162 R CB 0.017 30.313 30.300 -0.007 0.000 1.013 162 R HN 0.628 nan 8.270 nan 0.000 0.454 163 I N 4.770 125.369 120.570 0.048 0.000 2.379 163 I HA 0.190 4.360 4.170 -0.000 0.000 0.290 163 I C 0.275 176.401 176.117 0.015 0.000 1.063 163 I CA 0.114 61.438 61.300 0.040 0.000 1.351 163 I CB 0.739 38.763 38.000 0.040 0.000 1.410 163 I HN 0.420 nan 8.210 nan 0.000 0.505 164 Q N 7.250 127.054 119.800 0.007 0.000 2.345 164 Q HA 0.469 4.808 4.340 -0.000 0.000 0.275 164 Q C -2.629 173.371 176.000 0.000 0.000 1.063 164 Q CA -1.831 53.965 55.803 -0.011 0.000 0.819 164 Q CB 3.247 31.959 28.738 -0.044 0.000 1.356 164 Q HN 0.302 nan 8.270 nan 0.000 0.418 165 P HA 0.158 nan 4.420 nan 0.000 0.279 165 P C -0.282 177.067 177.300 0.082 0.000 1.252 165 P CA -0.301 62.857 63.100 0.097 0.000 0.811 165 P CB 0.566 32.315 31.700 0.082 0.000 1.035 166 F N -0.342 119.608 119.950 0.000 0.000 2.234 166 F HA -0.083 4.443 4.527 -0.000 0.000 0.299 166 F C 1.093 176.896 175.800 0.006 0.000 1.087 166 F CA 1.372 59.374 58.000 0.004 0.000 1.340 166 F CB -0.535 38.464 39.000 -0.001 0.000 1.031 166 F HN 0.319 nan 8.300 nan 0.000 0.500 167 E N -0.401 119.910 120.200 0.185 0.000 2.373 167 E HA 0.169 4.519 4.350 -0.000 0.000 0.267 167 E C 0.371 177.012 176.600 0.069 0.000 1.032 167 E CA -0.050 56.412 56.400 0.104 0.000 0.889 167 E CB 0.448 30.189 29.700 0.068 0.000 0.984 167 E HN -0.065 nan 8.360 nan 0.000 0.425 168 T N 1.920 116.508 114.554 0.058 0.000 2.754 168 T HA 0.027 4.377 4.350 -0.000 0.000 0.286 168 T C 0.967 175.708 174.700 0.067 0.000 0.997 168 T CA -0.615 61.511 62.100 0.044 0.000 0.982 168 T CB 0.432 69.321 68.868 0.035 0.000 1.027 168 T HN 0.350 nan 8.240 nan 0.000 0.529 169 L N 0.971 122.233 121.223 0.064 0.000 2.217 169 L HA 0.042 4.382 4.340 -0.000 0.000 0.211 169 L C 2.396 179.337 176.870 0.118 0.000 1.107 169 L CA 1.550 56.445 54.840 0.092 0.000 0.783 169 L CB -0.618 41.473 42.059 0.054 0.000 0.919 169 L HN 0.543 nan 8.230 nan 0.000 0.442 170 Q N -0.974 118.894 119.800 0.113 0.000 2.049 170 Q HA -0.130 4.210 4.340 -0.000 0.000 0.198 170 Q C 2.065 178.156 176.000 0.150 0.000 0.971 170 Q CA 2.440 58.341 55.803 0.163 0.000 0.833 170 Q CB -0.511 28.288 28.738 0.102 0.000 0.896 170 Q HN 0.460 nan 8.270 nan 0.000 0.434 171 T N 0.910 115.522 114.554 0.098 0.000 2.803 171 T HA -0.115 4.235 4.350 -0.000 0.000 0.269 171 T C 1.695 176.445 174.700 0.084 0.000 1.052 171 T CA 1.282 63.428 62.100 0.077 0.000 1.136 171 T CB -0.193 68.709 68.868 0.056 0.000 0.864 171 T HN 0.185 nan 8.240 nan 0.000 0.467 172 L N -0.003 121.283 121.223 0.105 0.000 2.095 172 L HA 0.107 4.446 4.340 -0.000 0.000 0.204 172 L C 2.347 179.347 176.870 0.218 0.000 1.080 172 L CA 0.887 55.795 54.840 0.113 0.000 0.759 172 L CB -0.328 41.834 42.059 0.173 0.000 0.914 172 L HN 0.230 nan 8.230 nan 0.000 0.439 173 L N -0.730 120.632 121.223 0.233 0.000 2.275 173 L HA -0.176 4.164 4.340 -0.000 0.000 0.215 173 L C 2.371 179.383 176.870 0.235 0.000 1.119 173 L CA 0.919 55.863 54.840 0.172 0.000 0.790 173 L CB -0.341 41.680 42.059 -0.064 0.000 0.919 173 L HN 0.316 nan 8.230 nan 0.000 0.443 174 E N 0.299 120.650 120.200 0.252 0.000 2.015 174 E HA -0.218 4.131 4.350 -0.000 0.000 0.191 174 E C 2.308 178.987 176.600 0.133 0.000 0.991 174 E CA 1.221 57.746 56.400 0.208 0.000 0.802 174 E CB 0.024 29.807 29.700 0.139 0.000 0.759 174 E HN 0.465 nan 8.360 nan 0.000 0.447 175 R N 0.322 120.875 120.500 0.089 0.000 2.070 175 R HA -0.024 4.316 4.340 -0.000 0.000 0.232 175 R C 0.382 176.710 176.300 0.047 0.000 1.138 175 R CA 1.111 57.239 56.100 0.046 0.000 0.936 175 R CB -0.225 30.079 30.300 0.006 0.000 0.839 175 R HN 0.004 nan 8.270 nan 0.000 0.429 176 N N 0.391 119.122 118.700 0.052 0.000 2.235 176 N HA 0.145 4.885 4.740 -0.000 0.000 0.293 176 N C -1.859 173.764 175.510 0.189 0.000 1.083 176 N CA -0.644 52.448 53.050 0.071 0.000 0.801 176 N CB 2.012 40.501 38.487 0.003 0.000 1.559 176 N HN 0.104 nan 8.380 nan 0.000 0.472 177 D N 1.752 122.253 120.400 0.169 0.000 2.558 177 D HA 0.149 4.788 4.640 -0.000 0.000 0.221 177 D C -0.325 176.110 176.300 0.224 0.000 1.143 177 D CA -0.025 54.082 54.000 0.177 0.000 1.010 177 D CB -0.587 40.264 40.800 0.085 0.000 1.068 177 D HN 0.369 nan 8.370 nan 0.000 0.511 178 F N -0.931 119.008 119.950 -0.018 0.000 2.397 178 F HA 0.422 4.949 4.527 -0.000 0.000 0.331 178 F C 0.699 176.486 175.800 -0.022 0.000 1.090 178 F CA -1.479 56.514 58.000 -0.013 0.000 1.065 178 F CB 0.672 39.669 39.000 -0.005 0.000 1.184 178 F HN -0.181 nan 8.300 nan 0.000 0.499 179 N N 5.428 124.045 118.700 -0.138 0.000 2.348 179 N HA -0.044 4.695 4.740 -0.000 0.000 0.286 179 N C -1.435 173.838 175.510 -0.394 0.000 1.371 179 N CA -0.202 52.720 53.050 -0.214 0.000 0.966 179 N CB 0.186 38.621 38.487 -0.086 0.000 1.356 179 N HN 0.624 nan 8.380 nan 0.000 0.490 180 P HA -0.123 nan 4.420 nan 0.000 0.218 180 P C 0.052 177.209 177.300 -0.238 0.000 1.149 180 P CA 1.085 63.938 63.100 -0.412 0.000 0.817 180 P CB 0.479 31.976 31.700 -0.339 0.000 0.785 181 K N 0.571 120.876 120.400 -0.159 0.000 2.382 181 K HA 0.141 4.460 4.320 -0.000 0.000 0.275 181 K C 0.659 177.208 176.600 -0.085 0.000 1.009 181 K CA -0.096 56.133 56.287 -0.096 0.000 0.970 181 K CB 0.273 32.736 32.500 -0.063 0.000 0.934 181 K HN -0.043 nan 8.250 nan 0.000 0.479 182 R N 0.236 120.697 120.500 -0.065 0.000 3.919 182 R HA -0.182 4.158 4.340 -0.000 0.000 0.412 182 R C -0.473 175.783 176.300 -0.073 0.000 1.102 182 R CA 0.477 56.542 56.100 -0.059 0.000 1.082 182 R CB -1.846 28.425 30.300 -0.049 0.000 1.671 182 R HN 0.568 nan 8.270 nan 0.000 0.540 183 I N 2.442 122.960 120.570 -0.087 0.000 2.312 183 I HA 0.131 4.301 4.170 -0.000 0.000 0.291 183 I C 0.819 176.887 176.117 -0.083 0.000 1.031 183 I CA -0.267 60.982 61.300 -0.085 0.000 1.293 183 I CB 0.793 38.729 38.000 -0.106 0.000 1.403 183 I HN -0.041 nan 8.210 nan 0.000 0.484 184 R N 6.251 126.697 120.500 -0.091 0.000 2.316 184 R HA 0.345 4.685 4.340 -0.000 0.000 0.314 184 R C -0.526 175.706 176.300 -0.114 0.000 1.069 184 R CA -0.262 55.767 56.100 -0.120 0.000 0.959 184 R CB 0.664 30.884 30.300 -0.132 0.000 0.987 184 R HN 0.476 nan 8.270 nan 0.000 0.446 185 V N -0.147 119.685 119.914 -0.137 0.000 3.046 185 V HA 0.653 4.773 4.120 -0.000 0.000 0.316 185 V C -0.277 175.701 176.094 -0.194 0.000 1.104 185 V CA -1.094 61.133 62.300 -0.121 0.000 1.006 185 V CB 2.315 34.098 31.823 -0.067 0.000 1.058 185 V HN 0.669 nan 8.190 nan 0.000 0.440 186 K N 1.707 122.007 120.400 -0.167 0.000 2.535 186 K HA 0.576 4.896 4.320 -0.000 0.000 0.251 186 K C -3.208 173.280 176.600 -0.187 0.000 0.942 186 K CA -1.711 54.452 56.287 -0.206 0.000 0.798 186 K CB 3.082 35.471 32.500 -0.184 0.000 1.267 186 K HN 0.538 nan 8.250 nan 0.000 0.434 187 P HA 0.207 nan 4.420 nan 0.000 0.277 187 P C 0.901 178.078 177.300 -0.206 0.000 1.240 187 P CA -0.384 62.533 63.100 -0.305 0.000 0.798 187 P CB 0.785 32.135 31.700 -0.585 0.000 0.979 188 I N 1.477 121.956 120.570 -0.153 0.000 2.052 188 I HA -0.219 3.951 4.170 -0.000 0.000 0.235 188 I C 2.076 178.142 176.117 -0.085 0.000 1.046 188 I CA 2.248 63.489 61.300 -0.098 0.000 1.308 188 I CB -1.065 36.897 38.000 -0.064 0.000 1.031 188 I HN 0.496 nan 8.210 nan 0.000 0.395 189 G N 1.170 109.926 108.800 -0.073 0.000 3.262 189 G HA2 0.312 4.271 3.960 -0.000 0.000 0.228 189 G HA3 0.312 4.271 3.960 -0.000 0.000 0.228 189 G C 0.409 175.247 174.900 -0.103 0.000 1.197 189 G CA -0.144 44.937 45.100 -0.032 0.000 0.819 189 G HN 0.218 nan 8.290 nan 0.000 0.531 190 I N -0.076 120.361 120.570 -0.221 0.000 2.406 190 I HA 0.186 4.356 4.170 -0.000 0.000 0.290 190 I C -0.405 175.607 176.117 -0.175 0.000 0.999 190 I CA -0.809 60.277 61.300 -0.357 0.000 1.124 190 I CB 2.194 39.896 38.000 -0.497 0.000 1.289 190 I HN -0.176 nan 8.210 nan 0.000 0.441 191 D N 5.470 125.795 120.400 -0.125 0.000 2.644 191 D HA 0.043 4.683 4.640 -0.000 0.000 0.252 191 D C -0.792 175.519 176.300 0.019 0.000 1.254 191 D CA 0.552 54.519 54.000 -0.056 0.000 0.884 191 D CB -0.228 40.542 40.800 -0.051 0.000 1.034 191 D HN 0.213 nan 8.370 nan 0.000 0.473 192 F N -0.065 119.771 119.950 -0.190 0.000 2.556 192 F HA 0.431 4.957 4.527 -0.000 0.000 0.314 192 F C -1.236 174.465 175.800 -0.164 0.000 1.106 192 F CA -0.920 56.971 58.000 -0.181 0.000 0.911 192 F CB 1.546 40.422 39.000 -0.206 0.000 1.190 192 F HN -0.336 nan 8.300 nan 0.000 0.448 193 V N 4.712 123.995 119.914 -1.051 0.000 2.577 193 V HA 0.874 4.993 4.120 -0.000 0.000 0.303 193 V C -0.151 175.243 176.094 -1.167 0.000 1.042 193 V CA -0.355 61.421 62.300 -0.873 0.000 0.872 193 V CB 1.362 32.938 31.823 -0.412 0.000 0.998 193 V HN 1.081 nan 8.190 nan 0.000 0.423 194 G N 3.742 112.018 108.800 -0.873 0.000 2.672 194 G HA2 0.655 4.615 3.960 -0.000 0.000 0.292 194 G HA3 0.655 4.615 3.960 -0.000 0.000 0.292 194 G C -1.325 173.452 174.900 -0.204 0.000 1.375 194 G CA -0.958 43.853 45.100 -0.482 0.000 0.890 194 G HN 0.521 nan 8.290 nan 0.000 0.476 195 R N 0.045 120.489 120.500 -0.093 0.000 2.368 195 R HA 0.440 4.780 4.340 -0.000 0.000 0.302 195 R C -0.273 176.021 176.300 -0.010 0.000 1.002 195 R CA -0.645 55.421 56.100 -0.057 0.000 0.929 195 R CB 2.098 32.370 30.300 -0.046 0.000 1.073 195 R HN 0.286 nan 8.270 nan 0.000 0.464 196 V N 3.444 123.345 119.914 -0.022 0.000 2.529 196 V HA -0.081 4.038 4.120 -0.000 0.000 0.292 196 V C 1.277 177.376 176.094 0.008 0.000 1.028 196 V CA 0.625 62.925 62.300 -0.001 0.000 1.074 196 V CB 1.051 32.847 31.823 -0.044 0.000 0.958 196 V HN 0.874 nan 8.190 nan 0.000 0.481 197 Q N 2.696 122.524 119.800 0.046 0.000 2.514 197 Q HA 0.155 4.495 4.340 -0.000 0.000 0.208 197 Q C -0.206 175.825 176.000 0.053 0.000 0.938 197 Q CA 0.391 56.223 55.803 0.049 0.000 0.892 197 Q CB 0.763 29.547 28.738 0.076 0.000 1.050 197 Q HN 0.835 nan 8.270 nan 0.000 0.595 198 D N -0.407 120.049 120.400 0.094 0.000 2.819 198 D HA 0.444 5.084 4.640 -0.000 0.000 0.232 198 D C -1.742 174.659 176.300 0.169 0.000 1.160 198 D CA -0.320 53.757 54.000 0.127 0.000 0.858 198 D CB 2.646 43.547 40.800 0.168 0.000 1.610 198 D HN -0.035 nan 8.370 nan 0.000 0.481 199 V N 3.292 123.291 119.914 0.141 0.000 2.588 199 V HA 0.734 4.854 4.120 -0.000 0.000 0.304 199 V C -0.718 175.527 176.094 0.252 0.000 1.042 199 V CA -0.754 61.600 62.300 0.090 0.000 0.877 199 V CB 1.189 32.933 31.823 -0.131 0.000 0.996 199 V HN 0.525 nan 8.190 nan 0.000 0.425 200 F N 1.792 121.819 119.950 0.128 0.000 2.662 200 F HA 0.744 5.271 4.527 -0.000 0.000 0.312 200 F C -0.606 175.402 175.800 0.347 0.000 1.113 200 F CA -1.420 56.693 58.000 0.189 0.000 0.951 200 F CB 1.459 40.523 39.000 0.106 0.000 1.344 200 F HN 0.244 nan 8.300 nan 0.000 0.462 201 K N 0.828 121.479 120.400 0.419 0.000 2.202 201 K HA 0.558 4.878 4.320 -0.000 0.000 0.264 201 K C 0.556 177.225 176.600 0.114 0.000 1.010 201 K CA 0.075 56.478 56.287 0.193 0.000 0.940 201 K CB 1.418 33.998 32.500 0.132 0.000 0.983 201 K HN 0.801 nan 8.250 nan 0.000 0.475 202 A N 2.725 125.554 122.820 0.015 0.000 2.169 202 A HA -0.067 4.253 4.320 -0.000 0.000 0.212 202 A C 1.435 179.160 177.584 0.235 0.000 1.153 202 A CA 0.817 52.950 52.037 0.161 0.000 0.756 202 A CB -0.133 18.940 19.000 0.121 0.000 0.813 202 A HN 0.701 nan 8.150 nan 0.000 0.471 203 K N 0.077 120.543 120.400 0.110 0.000 2.097 203 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 203 K C 1.598 178.269 176.600 0.118 0.000 1.049 203 K CA 1.343 57.690 56.287 0.099 0.000 0.933 203 K CB -0.148 32.379 32.500 0.045 0.000 0.717 203 K HN 0.584 nan 8.250 nan 0.000 0.442 204 E N 0.766 121.044 120.200 0.131 0.000 2.267 204 E HA -0.117 4.233 4.350 -0.000 0.000 0.197 204 E C -0.110 176.488 176.600 -0.003 0.000 0.998 204 E CA 0.964 57.419 56.400 0.091 0.000 0.830 204 E CB 0.337 30.140 29.700 0.172 0.000 0.751 204 E HN 0.054 nan 8.360 nan 0.000 0.491 205 K N -0.229 120.161 120.400 -0.017 0.000 2.259 205 K HA 0.362 4.682 4.320 -0.000 0.000 0.252 205 K C -0.005 176.568 176.600 -0.044 0.000 0.936 205 K CA -0.433 55.707 56.287 -0.245 0.000 0.810 205 K CB 1.855 33.860 32.500 -0.824 0.000 1.143 205 K HN 0.008 nan 8.250 nan 0.000 0.427 206 G N 0.517 109.286 108.800 -0.052 0.000 2.557 206 G HA2 0.108 4.068 3.960 -0.000 0.000 0.292 206 G HA3 0.108 4.068 3.960 -0.000 0.000 0.292 206 G C 0.706 175.706 174.900 0.167 0.000 1.237 206 G CA -0.280 44.882 45.100 0.104 0.000 0.978 206 G HN 0.613 nan 8.290 nan 0.000 0.498 207 E N -0.270 120.086 120.200 0.260 0.000 2.086 207 E HA -0.230 4.120 4.350 -0.000 0.000 0.205 207 E C 2.086 178.833 176.600 0.245 0.000 1.027 207 E CA 1.809 58.404 56.400 0.324 0.000 0.830 207 E CB -0.027 29.793 29.700 0.200 0.000 0.751 207 E HN 0.664 nan 8.360 nan 0.000 0.456 208 E N -0.361 119.906 120.200 0.112 0.000 2.268 208 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 208 E C 1.741 178.332 176.600 -0.015 0.000 0.995 208 E CA 0.246 56.676 56.400 0.049 0.000 0.836 208 E CB -0.137 29.574 29.700 0.019 0.000 0.763 208 E HN 0.189 nan 8.360 nan 0.000 0.491 209 F N 0.276 120.062 119.950 -0.274 0.000 2.102 209 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 209 F C 1.599 177.120 175.800 -0.466 0.000 1.105 209 F CA 1.573 59.310 58.000 -0.439 0.000 1.239 209 F CB -0.209 38.399 39.000 -0.652 0.000 0.991 209 F HN -0.035 nan 8.300 nan 0.000 0.474 210 F N -0.181 119.902 119.950 0.222 0.000 2.234 210 F HA -0.104 4.423 4.527 -0.000 0.000 0.299 210 F C 2.618 178.425 175.800 0.013 0.000 1.087 210 F CA 1.311 59.425 58.000 0.189 0.000 1.340 210 F CB -0.645 38.556 39.000 0.334 0.000 1.031 210 F HN -0.158 nan 8.300 nan 0.000 0.500 211 R N 0.657 121.244 120.500 0.146 0.000 2.090 211 R HA -0.053 4.287 4.340 -0.000 0.000 0.228 211 R C 2.078 178.318 176.300 -0.099 0.000 1.110 211 R CA 0.840 56.971 56.100 0.052 0.000 0.973 211 R CB -0.223 30.113 30.300 0.059 0.000 0.869 211 R HN 0.324 nan 8.270 nan 0.000 0.440 212 L N -0.093 121.000 121.223 -0.216 0.000 2.044 212 L HA -0.101 4.239 4.340 -0.000 0.000 0.205 212 L C 1.581 178.175 176.870 -0.460 0.000 1.075 212 L CA 0.311 54.962 54.840 -0.315 0.000 0.747 212 L CB -0.195 41.646 42.059 -0.363 0.000 0.903 212 L HN 0.278 nan 8.230 nan 0.000 0.435 216 R N 1.339 121.734 120.500 -0.176 0.000 2.359 216 R HA 0.158 4.498 4.340 -0.000 0.000 0.231 216 R C 0.146 176.387 176.300 -0.097 0.000 0.913 216 R CA 0.242 56.242 56.100 -0.167 0.000 1.075 216 R CB 0.663 30.809 30.300 -0.257 0.000 1.087 216 R HN -0.035 nan 8.270 nan 0.000 0.515 217 S N 0.024 115.710 115.700 -0.023 0.000 2.474 217 S HA 0.057 4.526 4.470 -0.000 0.000 0.276 217 S C 1.309 176.019 174.600 0.184 0.000 1.227 217 S CA -0.633 57.649 58.200 0.137 0.000 1.050 217 S CB 1.574 64.950 63.200 0.294 0.000 0.939 217 S HN 0.185 nan 8.310 nan 0.000 0.490 218 T N 0.215 114.925 114.554 0.261 0.000 2.788 218 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 218 T C 0.713 175.664 174.700 0.418 0.000 1.044 218 T CA 0.963 63.271 62.100 0.346 0.000 1.139 218 T CB -0.655 68.455 68.868 0.404 0.000 0.867 218 T HN 0.807 nan 8.240 nan 0.000 0.454 219 H N -0.196 119.078 119.070 0.340 0.000 2.676 219 H HA 0.412 4.968 4.556 -0.000 0.000 0.352 219 H C 1.155 176.611 175.328 0.213 0.000 1.193 219 H CA -0.908 55.331 56.048 0.317 0.000 1.243 219 H CB 2.189 32.111 29.762 0.267 0.000 1.751 219 H HN -0.003 nan 8.280 nan 0.000 0.567 220 K N 0.521 121.100 120.400 0.298 0.000 2.031 220 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 220 K C 1.923 178.619 176.600 0.159 0.000 1.049 220 K CA 1.518 57.909 56.287 0.175 0.000 0.939 220 K CB -0.016 32.552 32.500 0.114 0.000 0.717 220 K HN 0.550 nan 8.250 nan 0.000 0.438 221 S N 0.436 116.228 115.700 0.152 0.000 2.419 221 S HA -0.143 4.327 4.470 -0.000 0.000 0.233 221 S C 2.004 176.664 174.600 0.099 0.000 1.016 221 S CA 1.561 59.815 58.200 0.090 0.000 0.974 221 S CB -0.388 62.835 63.200 0.039 0.000 0.786 221 S HN 0.429 nan 8.310 nan 0.000 0.492 222 S N 1.814 117.625 115.700 0.185 0.000 2.446 222 S HA 0.129 4.599 4.470 -0.000 0.000 0.225 222 S C 1.735 176.551 174.600 0.360 0.000 1.016 222 S CA 0.238 58.598 58.200 0.268 0.000 0.943 222 S CB -0.318 63.161 63.200 0.465 0.000 0.786 222 S HN 0.489 nan 8.310 nan 0.000 0.508 223 K N 1.527 122.105 120.400 0.296 0.000 2.002 223 K HA 0.038 4.357 4.320 -0.000 0.000 0.209 223 K C 2.174 178.905 176.600 0.217 0.000 1.048 223 K CA 1.222 57.666 56.287 0.263 0.000 0.930 223 K CB -0.167 32.430 32.500 0.162 0.000 0.714 223 K HN 0.308 nan 8.250 nan 0.000 0.438 224 K N 0.118 120.603 120.400 0.142 0.000 2.362 224 K HA -0.064 4.256 4.320 -0.000 0.000 0.200 224 K C 1.879 178.514 176.600 0.057 0.000 1.046 224 K CA 0.848 57.188 56.287 0.088 0.000 0.952 224 K CB 0.101 32.636 32.500 0.058 0.000 0.753 224 K HN 0.137 nan 8.250 nan 0.000 0.466 225 A N -0.291 122.551 122.820 0.037 0.000 1.984 225 A HA -0.054 4.266 4.320 -0.000 0.000 0.214 225 A C 1.536 179.061 177.584 -0.098 0.000 1.173 225 A CA 0.301 52.286 52.037 -0.088 0.000 0.673 225 A CB -0.476 18.407 19.000 -0.195 0.000 0.830 225 A HN 0.368 nan 8.150 nan 0.000 0.453 226 W N -0.021 121.346 121.300 0.113 0.000 2.476 226 W HA 0.083 4.743 4.660 -0.000 0.000 0.281 226 W C 2.148 178.725 176.519 0.097 0.000 1.230 226 W CA 0.781 58.213 57.345 0.145 0.000 1.287 226 W CB 0.115 29.677 29.460 0.170 0.000 1.108 226 W HN 0.437 nan 8.180 nan 0.000 0.567 227 E N 0.802 121.157 120.200 0.259 0.000 2.085 227 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 227 E C 1.951 178.598 176.600 0.077 0.000 0.994 227 E CA 1.407 57.898 56.400 0.152 0.000 0.801 227 E CB 0.103 29.867 29.700 0.107 0.000 0.743 227 E HN 0.130 nan 8.360 nan 0.000 0.453 228 E N 0.436 120.657 120.200 0.035 0.000 2.072 228 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 228 E C 2.297 178.845 176.600 -0.086 0.000 0.985 228 E CA 0.738 57.124 56.400 -0.024 0.000 0.801 228 E CB -0.239 29.438 29.700 -0.039 0.000 0.750 228 E HN 0.396 nan 8.360 nan 0.000 0.452 229 L N 0.346 121.491 121.223 -0.129 0.000 2.141 229 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 229 L C 2.496 179.067 176.870 -0.498 0.000 1.094 229 L CA 0.391 55.024 54.840 -0.345 0.000 0.763 229 L CB -0.416 41.381 42.059 -0.436 0.000 0.908 229 L HN 0.108 nan 8.230 nan 0.000 0.437 230 L N 0.051 121.130 121.223 -0.241 0.000 2.023 230 L HA -0.127 4.213 4.340 -0.000 0.000 0.205 230 L C 2.348 179.198 176.870 -0.034 0.000 1.073 230 L CA 1.819 56.620 54.840 -0.065 0.000 0.745 230 L CB -0.343 41.818 42.059 0.169 0.000 0.900 230 L HN 0.052 nan 8.230 nan 0.000 0.435 231 K N -0.823 119.565 120.400 -0.020 0.000 2.361 231 K HA 0.040 4.359 4.320 -0.000 0.000 0.196 231 K C 0.144 176.725 176.600 -0.032 0.000 1.039 231 K CA 0.106 56.387 56.287 -0.010 0.000 1.001 231 K CB -0.040 32.466 32.500 0.010 0.000 0.795 231 K HN 0.204 nan 8.250 nan 0.000 0.495 232 N N 1.170 119.831 118.700 -0.065 0.000 2.518 232 N HA 0.138 4.878 4.740 -0.000 0.000 0.254 232 N C -0.051 175.403 175.510 -0.093 0.000 0.979 232 N CA -0.203 52.808 53.050 -0.066 0.000 0.930 232 N CB 0.920 39.369 38.487 -0.063 0.000 1.152 232 N HN -0.100 nan 8.380 nan 0.000 0.505 233 R N 1.612 122.071 120.500 -0.069 0.000 2.240 233 R HA 0.076 4.416 4.340 -0.000 0.000 0.203 233 R C 1.110 177.368 176.300 -0.070 0.000 1.011 233 R CA 0.548 56.605 56.100 -0.071 0.000 1.007 233 R CB 0.409 30.685 30.300 -0.041 0.000 0.911 233 R HN 0.643 nan 8.270 nan 0.000 0.468 234 E N 0.909 121.072 120.200 -0.062 0.000 2.047 234 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 234 E C 1.892 178.443 176.600 -0.081 0.000 0.987 234 E CA 0.841 57.206 56.400 -0.059 0.000 0.799 234 E CB 0.088 29.760 29.700 -0.046 0.000 0.752 234 E HN 0.251 nan 8.360 nan 0.000 0.449 235 L N 0.706 121.873 121.223 -0.093 0.000 1.976 235 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 235 L C 2.826 179.603 176.870 -0.155 0.000 1.071 235 L CA 1.252 56.022 54.840 -0.117 0.000 0.746 235 L CB -0.311 41.678 42.059 -0.116 0.000 0.890 235 L HN 0.123 nan 8.230 nan 0.000 0.432 236 R N -0.024 120.367 120.500 -0.181 0.000 2.133 236 R HA -0.257 4.083 4.340 -0.000 0.000 0.247 236 R C 2.002 178.213 176.300 -0.147 0.000 1.151 236 R CA 2.114 58.083 56.100 -0.218 0.000 0.971 236 R CB -0.154 29.980 30.300 -0.276 0.000 0.866 236 R HN 0.525 nan 8.270 nan 0.000 0.447 237 E N 0.098 120.225 120.200 -0.122 0.000 2.028 237 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 237 E C 1.814 178.308 176.600 -0.177 0.000 0.988 237 E CA 1.752 58.088 56.400 -0.107 0.000 0.799 237 E CB 0.038 29.694 29.700 -0.072 0.000 0.755 237 E HN 0.440 nan 8.360 nan 0.000 0.447 238 K N 0.427 120.706 120.400 -0.200 0.000 2.486 238 K HA 0.202 4.521 4.320 -0.000 0.000 0.194 238 K C 0.438 176.741 176.600 -0.494 0.000 1.033 238 K CA 0.410 56.522 56.287 -0.292 0.000 1.004 238 K CB 0.397 32.790 32.500 -0.177 0.000 0.798 238 K HN -0.052 nan 8.250 nan 0.000 0.495 239 A N 1.105 123.690 122.820 -0.391 0.000 2.322 239 A HA 0.554 4.873 4.320 -0.000 0.000 0.269 239 A C -0.881 176.422 177.584 -0.468 0.000 1.094 239 A CA -0.561 51.257 52.037 -0.366 0.000 0.807 239 A CB 0.048 18.930 19.000 -0.197 0.000 1.047 239 A HN 0.263 nan 8.150 nan 0.000 0.487 240 F N -0.082 119.818 119.950 -0.084 0.000 2.561 240 F HA 0.599 5.126 4.527 -0.000 0.000 0.321 240 F C -0.061 175.617 175.800 -0.204 0.000 1.065 240 F CA -0.620 57.297 58.000 -0.139 0.000 0.934 240 F CB 1.923 40.868 39.000 -0.092 0.000 1.215 240 F HN 0.294 nan 8.300 nan 0.000 0.471 241 L N 3.001 124.119 121.223 -0.175 0.000 2.346 241 L HA 0.708 5.048 4.340 -0.000 0.000 0.276 241 L C -1.105 175.614 176.870 -0.252 0.000 1.006 241 L CA -1.092 53.587 54.840 -0.268 0.000 0.817 241 L CB 1.957 43.750 42.059 -0.443 0.000 1.272 241 L HN 0.279 nan 8.230 nan 0.000 0.421 242 V N 3.429 123.344 119.914 0.000 0.000 2.448 242 V HA 0.402 4.522 4.120 -0.000 0.000 0.295 242 V C -0.027 176.190 176.094 0.205 0.000 1.025 242 V CA -0.717 61.639 62.300 0.092 0.000 0.859 242 V CB 2.162 34.038 31.823 0.089 0.000 0.988 242 V HN 0.426 nan 8.190 nan 0.000 0.431 243 V N 6.313 126.368 119.914 0.236 0.000 2.370 243 V HA 0.456 4.576 4.120 -0.000 0.000 0.279 243 V C 0.118 176.339 176.094 0.210 0.000 1.029 243 V CA -0.381 62.073 62.300 0.256 0.000 0.870 243 V CB 1.258 33.248 31.823 0.278 0.000 0.984 243 V HN 0.622 nan 8.190 nan 0.000 0.451 244 L N 3.439 124.810 121.223 0.246 0.000 2.400 244 L HA 0.435 4.775 4.340 -0.000 0.000 0.264 244 L C 1.807 178.806 176.870 0.215 0.000 1.061 244 L CA -0.682 54.300 54.840 0.238 0.000 0.799 244 L CB 0.960 43.224 42.059 0.342 0.000 1.240 244 L HN 0.795 nan 8.230 nan 0.000 0.461 245 E N 0.925 121.230 120.200 0.174 0.000 2.082 245 E HA -0.329 4.021 4.350 -0.000 0.000 0.215 245 E C 1.440 178.140 176.600 0.167 0.000 1.048 245 E CA 1.917 58.403 56.400 0.143 0.000 0.869 245 E CB -0.363 29.402 29.700 0.109 0.000 0.773 245 E HN 0.554 nan 8.360 nan 0.000 0.466 246 K N -0.021 120.515 120.400 0.226 0.000 2.211 246 K HA 0.002 4.322 4.320 -0.000 0.000 0.203 246 K C 1.630 178.392 176.600 0.269 0.000 1.050 246 K CA 0.923 57.365 56.287 0.257 0.000 0.945 246 K CB 0.154 32.845 32.500 0.320 0.000 0.732 246 K HN 0.501 nan 8.250 nan 0.000 0.451 247 G N -0.415 108.572 108.800 0.311 0.000 3.345 247 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.199 247 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.199 247 G C -0.570 174.449 174.900 0.199 0.000 1.057 247 G CA -0.687 44.530 45.100 0.196 0.000 0.865 247 G HN 0.096 nan 8.290 nan 0.000 0.449 248 Y N 3.154 123.440 120.300 -0.024 0.000 2.910 248 Y HA 0.279 4.829 4.550 -0.000 0.000 0.358 248 Y C 1.111 176.925 175.900 -0.144 0.000 1.293 248 Y CA 0.936 58.943 58.100 -0.155 0.000 1.630 248 Y CB -0.286 38.066 38.460 -0.180 0.000 1.178 248 Y HN 0.036 nan 8.280 nan 0.000 0.550 249 T N 4.958 119.472 114.554 -0.068 0.000 2.799 249 T HA 0.530 4.880 4.350 -0.000 0.000 0.286 249 T C -0.798 173.929 174.700 0.046 0.000 0.973 249 T CA -0.545 61.627 62.100 0.119 0.000 1.035 249 T CB 0.306 69.354 68.868 0.301 0.000 0.932 249 T HN 0.394 nan 8.240 nan 0.000 0.469 250 Y N 2.181 122.689 120.300 0.347 0.000 2.524 250 Y HA 0.396 4.946 4.550 -0.000 0.000 0.347 250 Y C -2.505 173.362 175.900 -0.056 0.000 1.005 250 Y CA -2.850 55.348 58.100 0.163 0.000 1.025 250 Y CB 2.323 40.863 38.460 0.134 0.000 1.275 250 Y HN 0.445 nan 8.280 nan 0.000 0.460 251 P HA 0.123 nan 4.420 nan 0.000 0.276 251 P C -0.079 177.173 177.300 -0.080 0.000 1.230 251 P CA 0.102 63.050 63.100 -0.253 0.000 0.776 251 P CB 1.281 32.681 31.700 -0.501 0.000 0.888 252 A N 2.964 125.777 122.820 -0.011 0.000 2.139 252 A HA -0.197 4.122 4.320 -0.000 0.000 0.221 252 A C 1.903 179.495 177.584 0.013 0.000 1.159 252 A CA 2.386 54.447 52.037 0.039 0.000 0.662 252 A CB -1.717 17.362 19.000 0.132 0.000 0.796 252 A HN 0.627 nan 8.150 nan 0.000 0.463 253 T N -1.030 113.504 114.554 -0.034 0.000 2.867 253 T HA -0.070 4.280 4.350 -0.000 0.000 0.268 253 T C 1.411 176.079 174.700 -0.053 0.000 1.057 253 T CA 1.376 63.449 62.100 -0.045 0.000 1.136 253 T CB -0.631 68.189 68.868 -0.081 0.000 0.874 253 T HN 0.837 nan 8.240 nan 0.000 0.466 254 I N -1.719 118.806 120.570 -0.076 0.000 3.976 254 I HA 0.487 4.657 4.170 -0.000 0.000 0.337 254 I C -0.112 175.950 176.117 -0.092 0.000 1.359 254 I CA -0.659 60.590 61.300 -0.085 0.000 1.098 254 I CB -0.036 37.897 38.000 -0.111 0.000 1.027 254 I HN 0.027 nan 8.210 nan 0.000 0.394 255 L N 2.302 123.490 121.223 -0.058 0.000 2.275 255 L HA 0.523 4.863 4.340 -0.000 0.000 0.288 255 L C -0.076 176.775 176.870 -0.033 0.000 1.046 255 L CA -0.268 54.539 54.840 -0.055 0.000 0.805 255 L CB 1.328 43.377 42.059 -0.018 0.000 1.193 255 L HN 0.132 nan 8.230 nan 0.000 0.426 256 K N 4.320 124.690 120.400 -0.050 0.000 2.292 256 K HA 0.479 4.799 4.320 -0.000 0.000 0.257 256 K C -2.528 174.052 176.600 -0.032 0.000 0.940 256 K CA -1.816 54.453 56.287 -0.031 0.000 0.811 256 K CB 2.290 34.761 32.500 -0.048 0.000 1.120 256 K HN 0.164 nan 8.250 nan 0.000 0.428 257 P HA 0.061 nan 4.420 nan 0.000 0.272 257 P C -1.025 176.263 177.300 -0.020 0.000 1.223 257 P CA -0.422 62.679 63.100 0.001 0.000 0.784 257 P CB 0.740 32.477 31.700 0.061 0.000 0.923 258 V N 4.195 124.084 119.914 -0.040 0.000 2.384 258 V HA 0.325 4.445 4.120 -0.000 0.000 0.287 258 V C 0.122 176.191 176.094 -0.042 0.000 1.020 258 V CA -0.393 61.877 62.300 -0.051 0.000 0.850 258 V CB 0.857 32.627 31.823 -0.088 0.000 0.987 258 V HN 0.325 nan 8.190 nan 0.000 0.436 259 L N 4.450 125.659 121.223 -0.023 0.000 2.331 259 L HA 0.816 5.156 4.340 -0.000 0.000 0.275 259 L C 0.261 177.108 176.870 -0.038 0.000 1.022 259 L CA -0.214 54.613 54.840 -0.022 0.000 0.812 259 L CB 2.064 44.136 42.059 0.022 0.000 1.257 259 L HN 0.572 nan 8.230 nan 0.000 0.435 260 T N -0.969 113.533 114.554 -0.086 0.000 2.742 260 T HA 0.690 5.039 4.350 -0.000 0.000 0.282 260 T C -1.154 173.520 174.700 -0.044 0.000 1.025 260 T CA -0.520 61.522 62.100 -0.097 0.000 1.020 260 T CB 1.651 70.411 68.868 -0.180 0.000 1.317 260 T HN 0.600 nan 8.240 nan 0.000 0.538 269 R N 0.984 121.495 120.500 0.018 0.000 2.073 269 R HA 0.018 4.358 4.340 -0.000 0.000 0.229 269 R C 1.600 177.914 176.300 0.024 0.000 1.120 269 R CA 0.805 56.917 56.100 0.021 0.000 0.967 269 R CB -0.035 30.283 30.300 0.030 0.000 0.862 269 R HN 0.430 nan 8.270 nan 0.000 0.436 270 N N 1.039 119.758 118.700 0.032 0.000 2.137 270 N HA -0.208 4.531 4.740 -0.000 0.000 0.190 270 N C 1.537 177.053 175.510 0.010 0.000 1.017 270 N CA 1.391 54.458 53.050 0.027 0.000 0.859 270 N CB -0.046 38.462 38.487 0.035 0.000 1.002 270 N HN 0.415 nan 8.380 nan 0.000 0.428 271 E N 0.439 120.647 120.200 0.014 0.000 2.031 271 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 271 E C 1.977 178.575 176.600 -0.003 0.000 0.994 271 E CA 1.061 57.465 56.400 0.006 0.000 0.800 271 E CB 0.135 29.843 29.700 0.012 0.000 0.752 271 E HN 0.128 nan 8.360 nan 0.000 0.447 272 V N 0.350 120.262 119.914 -0.003 0.000 2.970 272 V HA -0.070 4.050 4.120 -0.000 0.000 0.260 272 V C 1.745 177.827 176.094 -0.020 0.000 1.100 272 V CA 1.379 63.672 62.300 -0.011 0.000 1.122 272 V CB -0.296 31.521 31.823 -0.011 0.000 0.721 272 V HN 0.223 nan 8.190 nan 0.000 0.483 273 A N -0.977 121.836 122.820 -0.013 0.000 2.423 273 A HA 0.189 4.509 4.320 -0.000 0.000 0.246 273 A C 1.227 178.799 177.584 -0.019 0.000 1.278 273 A CA 0.152 52.177 52.037 -0.019 0.000 0.903 273 A CB -0.129 18.872 19.000 0.003 0.000 0.997 273 A HN 0.385 nan 8.150 nan 0.000 0.510 274 D N -0.325 120.064 120.400 -0.018 0.000 2.363 274 D HA 0.194 4.834 4.640 -0.000 0.000 0.214 274 D C 1.173 177.466 176.300 -0.012 0.000 1.093 274 D CA 0.285 54.275 54.000 -0.015 0.000 0.837 274 D CB 0.193 40.979 40.800 -0.024 0.000 0.948 274 D HN 0.545 nan 8.370 nan 0.000 0.507 275 I N -0.465 120.089 120.570 -0.027 0.000 3.684 275 I HA -0.012 4.158 4.170 -0.000 0.000 0.304 275 I C 1.824 177.911 176.117 -0.049 0.000 1.278 275 I CA 0.134 61.419 61.300 -0.025 0.000 1.272 275 I CB 0.428 38.407 38.000 -0.034 0.000 1.029 275 I HN -0.170 nan 8.210 nan 0.000 0.458 276 V N 1.155 121.025 119.914 -0.072 0.000 3.306 276 V HA 0.024 4.143 4.120 -0.000 0.000 0.264 276 V C 1.684 177.816 176.094 0.062 0.000 1.149 276 V CA 0.698 62.934 62.300 -0.107 0.000 1.143 276 V CB -0.504 31.237 31.823 -0.136 0.000 0.767 276 V HN 0.330 nan 8.190 nan 0.000 0.476 280 P HA -0.107 nan 4.420 nan 0.000 0.221 280 P C 1.146 178.497 177.300 0.086 0.000 1.145 280 P CA 1.384 64.638 63.100 0.256 0.000 0.795 280 P CB 0.173 32.062 31.700 0.314 0.000 0.775 281 G N -0.004 108.830 108.800 0.056 0.000 2.403 281 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 281 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 281 G C 1.466 176.358 174.900 -0.014 0.000 1.154 281 G CA 0.497 45.599 45.100 0.003 0.000 0.784 281 G HN 0.257 nan 8.290 nan 0.000 0.538 282 K N 0.062 120.483 120.400 0.034 0.000 2.057 282 K HA 0.016 4.336 4.320 -0.000 0.000 0.206 282 K C 2.738 179.366 176.600 0.047 0.000 1.050 282 K CA 0.760 57.085 56.287 0.062 0.000 0.935 282 K CB -0.101 32.465 32.500 0.109 0.000 0.715 282 K HN 0.163 nan 8.250 nan 0.000 0.439 283 R N 0.448 120.962 120.500 0.023 0.000 2.062 283 R HA -0.055 4.285 4.340 -0.000 0.000 0.229 283 R C 2.372 178.570 176.300 -0.170 0.000 1.128 283 R CA 0.762 56.860 56.100 -0.004 0.000 0.960 283 R CB -0.525 29.832 30.300 0.095 0.000 0.855 283 R HN 0.075 nan 8.270 nan 0.000 0.432 284 L N 1.864 122.840 121.223 -0.412 0.000 2.043 284 L HA -0.203 4.137 4.340 -0.000 0.000 0.212 284 L C 1.308 178.049 176.870 -0.216 0.000 1.075 284 L CA 1.898 56.410 54.840 -0.546 0.000 0.752 284 L CB -0.487 41.143 42.059 -0.716 0.000 0.891 284 L HN 0.200 nan 8.230 nan 0.000 0.432 285 N N -1.480 117.152 118.700 -0.113 0.000 2.409 285 N HA -0.110 4.630 4.740 -0.000 0.000 0.179 285 N C 1.529 177.051 175.510 0.020 0.000 1.032 285 N CA 0.354 53.388 53.050 -0.028 0.000 0.898 285 N CB 0.062 38.550 38.487 0.001 0.000 0.971 285 N HN 0.212 nan 8.380 nan 0.000 0.441 286 L N 1.434 122.665 121.223 0.013 0.000 2.068 286 L HA 0.079 4.418 4.340 -0.000 0.000 0.204 286 L C 1.933 178.785 176.870 -0.030 0.000 1.076 286 L CA 1.181 56.059 54.840 0.064 0.000 0.753 286 L CB -0.755 41.346 42.059 0.071 0.000 0.910 286 L HN 0.113 nan 8.230 nan 0.000 0.439 287 I N -0.508 120.002 120.570 -0.101 0.000 2.208 287 I HA -0.361 3.808 4.170 -0.000 0.000 0.245 287 I C 2.538 178.527 176.117 -0.214 0.000 1.097 287 I CA 1.207 62.407 61.300 -0.167 0.000 1.363 287 I CB -0.230 37.727 38.000 -0.072 0.000 1.051 287 I HN 0.253 nan 8.210 nan 0.000 0.413 288 R N -0.777 119.648 120.500 -0.125 0.000 2.152 288 R HA -0.208 4.132 4.340 -0.000 0.000 0.232 288 R C 2.208 178.450 176.300 -0.097 0.000 1.117 288 R CA 1.349 57.372 56.100 -0.128 0.000 0.981 288 R CB -0.329 29.947 30.300 -0.040 0.000 0.870 288 R HN 0.377 nan 8.270 nan 0.000 0.451 289 Y N 0.860 121.054 120.300 -0.176 0.000 2.365 289 Y HA 0.008 4.558 4.550 -0.000 0.000 0.293 289 Y C 1.774 177.499 175.900 -0.292 0.000 1.119 289 Y CA 0.878 58.898 58.100 -0.133 0.000 1.203 289 Y CB 0.113 38.582 38.460 0.016 0.000 1.026 289 Y HN -0.098 nan 8.280 nan 0.000 0.549 290 I N -0.696 119.579 120.570 -0.492 0.000 2.252 290 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 290 I C 2.277 177.814 176.117 -0.968 0.000 1.102 290 I CA 1.007 61.730 61.300 -0.963 0.000 1.385 290 I CB -0.493 36.848 38.000 -1.099 0.000 1.064 290 I HN 0.196 nan 8.210 nan 0.000 0.414 291 L N 0.578 121.375 121.223 -0.709 0.000 2.012 291 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 291 L C 2.910 179.548 176.870 -0.386 0.000 1.073 291 L CA 1.655 56.154 54.840 -0.568 0.000 0.748 291 L CB -0.596 41.133 42.059 -0.551 0.000 0.891 291 L HN 0.242 nan 8.230 nan 0.000 0.431 292 R N -0.307 119.982 120.500 -0.353 0.000 2.103 292 R HA -0.203 4.137 4.340 -0.000 0.000 0.242 292 R C 2.347 178.522 176.300 -0.207 0.000 1.142 292 R CA 1.493 57.445 56.100 -0.245 0.000 0.960 292 R CB -0.362 29.793 30.300 -0.242 0.000 0.858 292 R HN 0.405 nan 8.270 nan 0.000 0.439 293 R N -0.475 119.844 120.500 -0.301 0.000 2.115 293 R HA -0.083 4.256 4.340 -0.000 0.000 0.230 293 R C 2.095 178.404 176.300 0.015 0.000 1.111 293 R CA 1.227 57.226 56.100 -0.169 0.000 0.976 293 R CB -0.179 29.994 30.300 -0.213 0.000 0.870 293 R HN 0.430 nan 8.270 nan 0.000 0.445 294 Y N -0.039 120.167 120.300 -0.157 0.000 2.242 294 Y HA -0.182 4.368 4.550 -0.000 0.000 0.291 294 Y C 2.337 178.207 175.900 -0.049 0.000 1.137 294 Y CA 0.446 58.471 58.100 -0.125 0.000 1.181 294 Y CB 0.159 38.551 38.460 -0.113 0.000 0.989 294 Y HN -0.126 nan 8.280 nan 0.000 0.527 295 V N -0.035 119.950 119.914 0.119 0.000 2.626 295 V HA -0.239 3.881 4.120 -0.000 0.000 0.252 295 V C 1.929 178.095 176.094 0.120 0.000 1.067 295 V CA 1.454 63.818 62.300 0.106 0.000 1.081 295 V CB -0.472 31.369 31.823 0.029 0.000 0.686 295 V HN 0.324 nan 8.190 nan 0.000 0.468 296 K N 0.655 121.108 120.400 0.089 0.000 2.031 296 K HA 0.007 4.326 4.320 -0.000 0.000 0.205 296 K C 2.350 179.043 176.600 0.154 0.000 1.049 296 K CA 1.347 57.694 56.287 0.099 0.000 0.939 296 K CB -0.354 32.185 32.500 0.064 0.000 0.717 296 K HN 0.448 nan 8.250 nan 0.000 0.438 297 A N 0.884 123.791 122.820 0.145 0.000 2.015 297 A HA -0.065 4.255 4.320 -0.000 0.000 0.219 297 A C 1.752 179.484 177.584 0.247 0.000 1.163 297 A CA 1.205 53.339 52.037 0.160 0.000 0.646 297 A CB -0.192 18.851 19.000 0.071 0.000 0.806 297 A HN 0.202 nan 8.150 nan 0.000 0.448 298 L N -2.887 118.487 121.223 0.252 0.000 2.920 298 L HA 0.238 4.578 4.340 -0.000 0.000 0.257 298 L C 2.181 179.340 176.870 0.483 0.000 1.150 298 L CA -0.097 54.964 54.840 0.368 0.000 0.959 298 L CB -0.188 41.910 42.059 0.066 0.000 1.321 298 L HN 0.254 nan 8.230 nan 0.000 0.555 299 R N 1.101 121.809 120.500 0.348 0.000 2.105 299 R HA -0.160 4.180 4.340 -0.000 0.000 0.239 299 R C 1.264 177.690 176.300 0.210 0.000 1.135 299 R CA 1.765 58.033 56.100 0.280 0.000 0.967 299 R CB 0.072 30.493 30.300 0.202 0.000 0.861 299 R HN 0.299 nan 8.270 nan 0.000 0.442 300 D N -1.064 119.428 120.400 0.154 0.000 2.312 300 D HA -0.121 4.519 4.640 -0.000 0.000 0.211 300 D C 0.775 176.939 176.300 -0.227 0.000 0.964 300 D CA 1.060 55.017 54.000 -0.073 0.000 0.877 300 D CB 0.018 40.708 40.800 -0.184 0.000 0.924 300 D HN 0.345 nan 8.370 nan 0.000 0.515 301 Y N -0.568 119.868 120.300 0.226 0.000 2.457 301 Y HA 0.321 4.871 4.550 -0.000 0.000 0.263 301 Y C 1.795 177.845 175.900 0.250 0.000 1.164 301 Y CA 0.217 58.484 58.100 0.277 0.000 1.274 301 Y CB 0.711 39.358 38.460 0.311 0.000 1.097 301 Y HN 0.005 nan 8.280 nan 0.000 0.523 302 G N -1.394 107.560 108.800 0.256 0.000 2.144 302 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.218 302 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.218 302 G C -0.445 174.551 174.900 0.160 0.000 0.988 302 G CA -0.601 44.555 45.100 0.092 0.000 0.659 302 G HN 0.268 nan 8.290 nan 0.000 0.522 303 W N -0.239 121.263 121.300 0.338 0.000 2.417 303 W HA 0.725 5.385 4.660 -0.000 0.000 0.317 303 W C 0.095 176.804 176.519 0.316 0.000 1.121 303 W CA -1.056 56.495 57.345 0.342 0.000 1.208 303 W CB 0.875 30.466 29.460 0.219 0.000 1.253 303 W HN 0.183 nan 8.180 nan 0.000 0.533 304 Y N 4.092 124.654 120.300 0.438 0.000 2.446 304 Y HA 0.715 5.265 4.550 -0.000 0.000 0.345 304 Y C -0.913 175.144 175.900 0.261 0.000 0.984 304 Y CA -1.637 56.628 58.100 0.275 0.000 1.058 304 Y CB 1.022 39.593 38.460 0.185 0.000 1.220 304 Y HN 0.289 nan 8.280 nan 0.000 0.455 305 I N 4.336 124.614 120.570 -0.486 0.000 2.534 305 I HA 0.214 4.384 4.170 -0.000 0.000 0.288 305 I C -0.479 175.187 176.117 -0.751 0.000 1.077 305 I CA -0.942 60.124 61.300 -0.390 0.000 1.051 305 I CB 2.117 39.998 38.000 -0.198 0.000 1.234 305 I HN 0.532 nan 8.210 nan 0.000 0.425 306 S N 6.066 121.525 115.700 -0.401 0.000 2.533 306 S HA 0.196 4.666 4.470 -0.000 0.000 0.282 306 S C -1.631 172.928 174.600 -0.068 0.000 1.304 306 S CA -0.832 57.256 58.200 -0.187 0.000 1.063 306 S CB 0.842 64.100 63.200 0.096 0.000 0.881 306 S HN 0.377 nan 8.310 nan 0.000 0.493 307 P HA 0.058 nan 4.420 nan 0.000 0.229 307 P C -0.335 177.045 177.300 0.134 0.000 1.160 307 P CA 0.670 63.751 63.100 -0.032 0.000 0.777 307 P CB 0.206 31.898 31.700 -0.014 0.000 0.814 308 E N 0.686 120.991 120.200 0.175 0.000 2.174 308 E HA 0.144 4.494 4.350 -0.000 0.000 0.282 308 E C -0.149 176.530 176.600 0.132 0.000 0.992 308 E CA -0.418 56.077 56.400 0.159 0.000 0.803 308 E CB 0.902 30.654 29.700 0.086 0.000 1.090 308 E HN 0.128 nan 8.360 nan 0.000 0.396 309 E N 1.874 122.078 120.200 0.007 0.000 2.422 309 E HA -0.013 4.337 4.350 -0.000 0.000 0.260 309 E C -0.260 176.218 176.600 -0.204 0.000 1.108 309 E CA 0.288 56.496 56.400 -0.319 0.000 0.943 309 E CB 0.489 30.079 29.700 -0.184 0.000 0.961 309 E HN 0.213 nan 8.360 nan 0.000 0.443 310 E N 1.813 121.836 120.200 -0.295 0.000 2.200 310 E HA 0.213 4.563 4.350 -0.000 0.000 0.283 310 E C -0.389 176.183 176.600 -0.047 0.000 1.015 310 E CA -0.399 55.908 56.400 -0.155 0.000 0.819 310 E CB 1.136 30.654 29.700 -0.305 0.000 1.081 310 E HN 0.251 nan 8.360 nan 0.000 0.397 311 R N 0.731 121.273 120.500 0.071 0.000 2.490 311 R HA 0.408 4.747 4.340 -0.000 0.000 0.278 311 R C 0.199 176.614 176.300 0.191 0.000 1.069 311 R CA -0.244 55.917 56.100 0.102 0.000 1.080 311 R CB 0.863 31.192 30.300 0.047 0.000 1.030 311 R HN 0.557 nan 8.270 nan 0.000 0.491 312 A N 2.021 124.944 122.820 0.173 0.000 2.406 312 A HA 0.077 4.397 4.320 -0.000 0.000 0.243 312 A C 0.483 177.940 177.584 -0.212 0.000 1.082 312 A CA 0.018 52.121 52.037 0.110 0.000 0.786 312 A CB 0.383 19.472 19.000 0.148 0.000 1.029 312 A HN 0.849 nan 8.150 nan 0.000 0.495 313 K N 0.405 120.483 120.400 -0.536 0.000 2.044 313 K HA 0.238 4.557 4.320 -0.000 0.000 0.204 313 K C 1.022 177.229 176.600 -0.655 0.000 1.049 313 K CA 1.195 57.065 56.287 -0.695 0.000 0.945 313 K CB -0.042 31.849 32.500 -1.014 0.000 0.724 313 K HN 0.961 nan 8.250 nan 0.000 0.440 314 G N 0.136 108.427 108.800 -0.849 0.000 2.335 314 G HA2 0.113 4.073 3.960 -0.000 0.000 0.291 314 G HA3 0.113 4.073 3.960 -0.000 0.000 0.291 314 G C -1.828 172.911 174.900 -0.268 0.000 1.261 314 G CA -0.827 43.981 45.100 -0.488 0.000 0.871 314 G HN -0.040 nan 8.290 nan 0.000 0.491 315 K N -0.074 120.264 120.400 -0.104 0.000 2.185 315 K HA 0.633 4.953 4.320 -0.000 0.000 0.269 315 K C -1.227 175.501 176.600 0.214 0.000 0.987 315 K CA -0.710 55.627 56.287 0.083 0.000 0.865 315 K CB 1.487 34.040 32.500 0.088 0.000 1.090 315 K HN 0.294 nan 8.250 nan 0.000 0.450 316 L N 5.169 126.509 121.223 0.195 0.000 2.262 316 L HA 0.280 4.620 4.340 -0.000 0.000 0.288 316 L C -0.484 176.467 176.870 0.136 0.000 1.035 316 L CA -0.213 54.649 54.840 0.036 0.000 0.820 316 L CB 0.796 42.712 42.059 -0.239 0.000 1.204 316 L HN 0.607 nan 8.230 nan 0.000 0.424 317 N N 4.482 123.219 118.700 0.063 0.000 2.508 317 N HA 0.368 5.108 4.740 -0.000 0.000 0.264 317 N C -0.747 174.809 175.510 0.077 0.000 1.216 317 N CA 0.225 53.271 53.050 -0.008 0.000 0.943 317 N CB 1.021 39.453 38.487 -0.091 0.000 1.113 317 N HN 0.458 nan 8.380 nan 0.000 0.447 318 F N -1.377 118.544 119.950 -0.049 0.000 2.629 318 F HA 0.517 5.044 4.527 -0.000 0.000 0.316 318 F C -0.213 175.553 175.800 -0.057 0.000 1.081 318 F CA -1.321 56.644 58.000 -0.058 0.000 0.954 318 F CB 0.858 39.820 39.000 -0.064 0.000 1.337 318 F HN -0.095 nan 8.300 nan 0.000 0.474 319 K N 2.000 122.465 120.400 0.110 0.000 2.220 319 K HA 0.132 4.452 4.320 -0.000 0.000 0.283 319 K C -0.381 176.253 176.600 0.057 0.000 1.098 319 K CA 0.060 56.352 56.287 0.008 0.000 0.928 319 K CB 0.148 32.661 32.500 0.022 0.000 1.214 319 K HN 0.751 nan 8.250 nan 0.000 0.442 320 D N -0.418 119.924 120.400 -0.096 0.000 2.339 320 D HA -0.034 4.606 4.640 -0.000 0.000 0.217 320 D C -0.068 176.174 176.300 -0.097 0.000 1.050 320 D CA -0.115 53.862 54.000 -0.038 0.000 0.856 320 D CB 0.028 40.723 40.800 -0.175 0.000 0.922 320 D HN 0.036 nan 8.370 nan 0.000 0.518 321 T N 1.402 115.889 114.554 -0.111 0.000 2.799 321 T HA 0.366 4.716 4.350 -0.000 0.000 0.296 321 T C 0.415 175.052 174.700 -0.106 0.000 0.947 321 T CA -0.565 61.453 62.100 -0.137 0.000 1.141 321 T CB 1.128 69.927 68.868 -0.115 0.000 0.891 321 T HN 0.158 nan 8.240 nan 0.000 0.533 322 V N 2.513 122.313 119.914 -0.189 0.000 2.881 322 V HA 0.948 5.068 4.120 -0.000 0.000 0.316 322 V C -0.960 175.066 176.094 -0.114 0.000 1.070 322 V CA -1.329 60.908 62.300 -0.105 0.000 0.976 322 V CB 1.439 33.137 31.823 -0.208 0.000 1.038 322 V HN 0.669 nan 8.190 nan 0.000 0.446 323 L N 0.835 122.165 121.223 0.177 0.000 2.424 323 L HA 0.863 5.202 4.340 -0.000 0.000 0.258 323 L C -0.512 176.712 176.870 0.590 0.000 0.995 323 L CA -0.664 54.352 54.840 0.293 0.000 0.821 323 L CB 1.229 43.412 42.059 0.207 0.000 1.383 323 L HN 0.884 nan 8.230 nan 0.000 0.410 324 D N 1.289 122.010 120.400 0.536 0.000 2.507 324 D HA 0.488 5.128 4.640 -0.000 0.000 0.280 324 D C 1.005 177.200 176.300 -0.175 0.000 1.219 324 D CA 0.034 54.191 54.000 0.263 0.000 1.085 324 D CB 0.883 41.752 40.800 0.114 0.000 1.134 324 D HN 0.779 nan 8.370 nan 0.000 0.583 325 A N -0.733 121.668 122.820 -0.698 0.000 2.067 325 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 325 A C 2.042 179.469 177.584 -0.262 0.000 1.158 325 A CA 1.159 52.709 52.037 -0.812 0.000 0.661 325 A CB -0.580 17.943 19.000 -0.794 0.000 0.801 325 A HN 0.535 nan 8.150 nan 0.000 0.452 326 K N -1.869 118.444 120.400 -0.145 0.000 2.314 326 K HA 0.172 4.491 4.320 -0.000 0.000 0.198 326 K C 0.807 177.418 176.600 0.019 0.000 1.045 326 K CA 0.667 56.925 56.287 -0.049 0.000 0.988 326 K CB 0.069 32.545 32.500 -0.040 0.000 0.783 326 K HN 0.649 nan 8.250 nan 0.000 0.484 327 G N 2.053 110.890 108.800 0.061 0.000 2.167 327 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.194 327 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.194 327 G C -0.603 174.370 174.900 0.122 0.000 1.027 327 G CA -0.371 44.796 45.100 0.111 0.000 0.717 327 G HN 0.151 nan 8.290 nan 0.000 0.501 328 K N 0.958 121.466 120.400 0.180 0.000 2.349 328 K HA 0.289 4.609 4.320 -0.000 0.000 0.288 328 K C -0.036 176.649 176.600 0.142 0.000 1.058 328 K CA -0.461 55.947 56.287 0.201 0.000 0.953 328 K CB 0.358 33.040 32.500 0.302 0.000 0.997 328 K HN 0.315 nan 8.250 nan 0.000 0.477 329 N N 2.203 120.911 118.700 0.015 0.000 2.456 329 N HA 0.371 5.111 4.740 -0.000 0.000 0.288 329 N C -0.952 174.435 175.510 -0.205 0.000 1.059 329 N CA -0.396 52.587 53.050 -0.111 0.000 0.946 329 N CB 1.888 40.336 38.487 -0.064 0.000 1.150 329 N HN 0.386 nan 8.380 nan 0.000 0.479 330 T N 0.026 114.356 114.554 -0.373 0.000 3.393 330 T HA 0.200 4.549 4.350 -0.000 0.000 0.359 330 T C -0.300 174.174 174.700 -0.377 0.000 1.380 330 T CA -0.836 61.051 62.100 -0.356 0.000 1.132 330 T CB 1.725 70.358 68.868 -0.393 0.000 1.284 330 T HN 0.249 nan 8.240 nan 0.000 0.477 331 K N 1.338 121.587 120.400 -0.251 0.000 2.414 331 K HA 0.408 4.727 4.320 -0.000 0.000 0.272 331 K C -0.323 176.135 176.600 -0.236 0.000 0.993 331 K CA -0.413 55.738 56.287 -0.226 0.000 0.964 331 K CB 0.634 33.023 32.500 -0.185 0.000 0.925 331 K HN 0.293 nan 8.250 nan 0.000 0.487 332 V N 5.272 125.060 119.914 -0.209 0.000 2.333 332 V HA 0.154 4.274 4.120 -0.000 0.000 0.274 332 V C 0.507 176.548 176.094 -0.088 0.000 1.028 332 V CA -0.034 62.161 62.300 -0.175 0.000 0.851 332 V CB 0.752 32.462 31.823 -0.188 0.000 1.000 332 V HN 0.675 nan 8.190 nan 0.000 0.456 333 I N 2.931 123.455 120.570 -0.076 0.000 4.433 333 I HA 0.151 4.320 4.170 -0.000 0.000 0.322 333 I C 1.167 177.292 176.117 0.013 0.000 1.284 333 I CA 0.485 61.783 61.300 -0.003 0.000 1.269 333 I CB 1.023 39.008 38.000 -0.024 0.000 1.219 333 I HN 0.640 nan 8.210 nan 0.000 0.436 334 T N -0.586 113.927 114.554 -0.068 0.000 3.647 334 T HA 0.134 4.483 4.350 -0.000 0.000 0.307 334 T C -0.533 174.014 174.700 -0.255 0.000 0.877 334 T CA -0.475 61.544 62.100 -0.136 0.000 0.914 334 T CB -0.068 68.748 68.868 -0.087 0.000 1.203 334 T HN 0.120 nan 8.240 nan 0.000 0.702 335 N N 2.483 121.067 118.700 -0.193 0.000 2.472 335 N HA -0.135 4.605 4.740 -0.000 0.000 0.294 335 N C -0.403 175.049 175.510 -0.097 0.000 1.496 335 N CA 0.177 53.125 53.050 -0.170 0.000 0.716 335 N CB -0.856 37.528 38.487 -0.171 0.000 0.993 335 N HN 0.498 nan 8.380 nan 0.000 0.470 336 L N 1.160 122.386 121.223 0.005 0.000 2.573 336 L HA -0.112 4.228 4.340 -0.000 0.000 0.290 336 L C 1.882 178.854 176.870 0.169 0.000 1.247 336 L CA 0.188 55.078 54.840 0.082 0.000 0.876 336 L CB 0.196 42.329 42.059 0.124 0.000 1.123 336 L HN 0.512 nan 8.230 nan 0.000 0.505 337 R N 1.608 122.216 120.500 0.180 0.000 2.115 337 R HA -0.088 4.251 4.340 -0.000 0.000 0.230 337 R C 2.008 178.446 176.300 0.230 0.000 1.111 337 R CA 1.209 57.472 56.100 0.273 0.000 0.976 337 R CB -0.157 30.285 30.300 0.237 0.000 0.870 337 R HN 0.502 nan 8.270 nan 0.000 0.445 338 K N -0.568 119.945 120.400 0.188 0.000 2.032 338 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 338 K C 1.811 178.520 176.600 0.181 0.000 1.048 338 K CA 1.663 58.051 56.287 0.170 0.000 0.927 338 K CB -0.311 32.275 32.500 0.142 0.000 0.712 338 K HN 0.085 nan 8.250 nan 0.000 0.441 339 F N 1.652 121.649 119.950 0.079 0.000 2.134 339 F HA -0.133 4.394 4.527 -0.000 0.000 0.299 339 F C 1.651 177.528 175.800 0.129 0.000 1.097 339 F CA 1.332 59.374 58.000 0.069 0.000 1.264 339 F CB -0.219 38.787 39.000 0.010 0.000 1.001 339 F HN -0.090 nan 8.300 nan 0.000 0.479 340 L N -0.281 120.945 121.223 0.004 0.000 2.551 340 L HA -0.091 4.249 4.340 -0.000 0.000 0.228 340 L C 2.103 179.062 176.870 0.149 0.000 1.153 340 L CA 0.777 55.636 54.840 0.032 0.000 0.851 340 L CB -0.484 41.735 42.059 0.267 0.000 0.959 340 L HN 0.218 nan 8.230 nan 0.000 0.451 341 E N -0.072 120.231 120.200 0.172 0.000 2.075 341 E HA -0.065 4.285 4.350 -0.000 0.000 0.190 341 E C 2.123 178.748 176.600 0.041 0.000 0.969 341 E CA 0.687 57.266 56.400 0.300 0.000 0.815 341 E CB 0.150 30.015 29.700 0.275 0.000 0.776 341 E HN 0.405 nan 8.360 nan 0.000 0.457 342 L N 1.189 122.395 121.223 -0.029 0.000 2.418 342 L HA 0.059 4.399 4.340 -0.000 0.000 0.218 342 L C 1.250 178.012 176.870 -0.180 0.000 1.125 342 L CA -0.370 54.419 54.840 -0.086 0.000 0.835 342 L CB -0.085 41.965 42.059 -0.015 0.000 0.953 342 L HN 0.270 nan 8.230 nan 0.000 0.454 343 C N 0.515 119.618 119.300 -0.329 0.000 2.653 343 C HA 0.242 4.702 4.460 -0.000 0.000 0.421 343 C C 0.859 175.696 174.990 -0.255 0.000 1.334 343 C CA -0.960 57.817 59.018 -0.402 0.000 1.885 343 C CB -0.188 27.096 27.740 -0.761 0.000 2.645 343 C HN 0.407 nan 8.230 nan 0.000 0.601 344 R N 4.969 125.340 120.500 -0.214 0.000 2.229 344 R HA 0.473 4.812 4.340 -0.000 0.000 0.332 344 R C -2.501 173.644 176.300 -0.257 0.000 0.989 344 R CA -1.283 54.691 56.100 -0.210 0.000 0.842 344 R CB 0.900 31.086 30.300 -0.190 0.000 1.119 344 R HN 0.577 nan 8.270 nan 0.000 0.456 345 P HA 0.041 nan 4.420 nan 0.000 0.274 345 P C -0.962 176.185 177.300 -0.255 0.000 1.260 345 P CA -0.050 62.953 63.100 -0.161 0.000 0.793 345 P CB 0.425 32.076 31.700 -0.082 0.000 1.048 346 F N -0.288 119.646 119.950 -0.027 0.000 2.303 346 F HA 0.185 4.712 4.527 -0.000 0.000 0.368 346 F C 0.325 176.104 175.800 -0.035 0.000 1.105 346 F CA -0.733 57.258 58.000 -0.014 0.000 1.153 346 F CB -0.099 38.904 39.000 0.004 0.000 1.362 346 F HN -0.039 nan 8.300 nan 0.000 0.511 347 V N 1.517 121.475 119.914 0.073 0.000 2.493 347 V HA 0.110 4.230 4.120 -0.000 0.000 0.292 347 V C 0.851 176.969 176.094 0.041 0.000 1.016 347 V CA -0.161 62.157 62.300 0.032 0.000 1.097 347 V CB 1.038 32.856 31.823 -0.008 0.000 0.947 347 V HN 0.905 nan 8.190 nan 0.000 0.479 348 K N 3.407 123.820 120.400 0.022 0.000 2.350 348 K HA 0.293 4.612 4.320 -0.000 0.000 0.196 348 K C 0.781 177.381 176.600 0.000 0.000 1.084 348 K CA 0.122 56.417 56.287 0.013 0.000 0.967 348 K CB 0.361 32.863 32.500 0.004 0.000 0.950 348 K HN 0.748 nan 8.250 nan 0.000 0.512 349 K N 1.413 121.809 120.400 -0.007 0.000 2.690 349 K HA 0.049 4.369 4.320 -0.000 0.000 0.243 349 K C -0.815 175.775 176.600 -0.016 0.000 0.982 349 K CA -0.178 56.102 56.287 -0.011 0.000 0.955 349 K CB 1.163 33.655 32.500 -0.014 0.000 1.185 349 K HN 0.068 nan 8.250 nan 0.000 0.467 350 D N 1.097 121.488 120.400 -0.015 0.000 2.182 350 D HA -0.110 4.530 4.640 -0.000 0.000 0.201 350 D C 0.454 176.742 176.300 -0.021 0.000 0.986 350 D CA 0.749 54.737 54.000 -0.020 0.000 0.847 350 D CB 0.162 40.951 40.800 -0.019 0.000 0.942 350 D HN 0.047 nan 8.370 nan 0.000 0.467 351 V N 0.359 120.262 119.914 -0.017 0.000 2.540 351 V HA 0.411 4.530 4.120 -0.000 0.000 0.302 351 V C -0.868 175.217 176.094 -0.015 0.000 1.035 351 V CA -0.939 61.352 62.300 -0.016 0.000 0.873 351 V CB 2.004 33.820 31.823 -0.012 0.000 0.992 351 V HN 0.013 nan 8.190 nan 0.000 0.428 352 L N 3.587 124.801 121.223 -0.015 0.000 2.354 352 L HA 0.674 5.014 4.340 -0.000 0.000 0.269 352 L C 0.142 177.005 176.870 -0.012 0.000 1.005 352 L CA -0.102 54.728 54.840 -0.016 0.000 0.819 352 L CB 2.528 44.575 42.059 -0.020 0.000 1.311 352 L HN 0.757 nan 8.230 nan 0.000 0.423 353 S N 1.491 117.184 115.700 -0.013 0.000 2.448 353 S HA 0.804 5.274 4.470 -0.000 0.000 0.320 353 S C -0.575 174.017 174.600 -0.013 0.000 1.071 353 S CA -0.677 57.517 58.200 -0.010 0.000 1.113 353 S CB 0.913 64.107 63.200 -0.010 0.000 0.972 353 S HN 0.242 nan 8.310 nan 0.000 0.465 354 V N 3.075 122.983 119.914 -0.010 0.000 2.555 354 V HA 0.528 4.647 4.120 -0.000 0.000 0.302 354 V C -0.004 176.086 176.094 -0.006 0.000 1.038 354 V CA -0.699 61.594 62.300 -0.012 0.000 0.887 354 V CB 1.764 33.580 31.823 -0.012 0.000 0.991 354 V HN 0.866 nan 8.190 nan 0.000 0.434 355 E N 3.019 123.213 120.200 -0.011 0.000 2.202 355 E HA 0.645 4.995 4.350 -0.000 0.000 0.272 355 E C -1.284 175.315 176.600 -0.002 0.000 0.951 355 E CA -0.551 55.847 56.400 -0.003 0.000 0.813 355 E CB 2.661 32.356 29.700 -0.009 0.000 1.151 355 E HN 0.498 nan 8.360 nan 0.000 0.398 356 I N 2.590 123.174 120.570 0.023 0.000 2.646 356 I HA 0.423 4.592 4.170 -0.000 0.000 0.299 356 I C -0.685 175.468 176.117 0.062 0.000 1.036 356 I CA -0.776 60.553 61.300 0.048 0.000 1.074 356 I CB 1.617 39.688 38.000 0.119 0.000 1.258 356 I HN 0.326 nan 8.210 nan 0.000 0.430 357 I N 3.459 124.078 120.570 0.081 0.000 2.619 357 I HA 0.400 4.570 4.170 -0.000 0.000 0.292 357 I C -0.691 175.523 176.117 0.162 0.000 1.100 357 I CA -0.118 61.233 61.300 0.085 0.000 1.043 357 I CB 2.360 40.385 38.000 0.041 0.000 1.239 357 I HN 0.536 nan 8.210 nan 0.000 0.420 358 S N 4.403 120.177 115.700 0.123 0.000 2.538 358 S HA 0.819 5.289 4.470 -0.000 0.000 0.288 358 S C -1.000 173.632 174.600 0.054 0.000 1.108 358 S CA -0.770 57.502 58.200 0.121 0.000 0.971 358 S CB 1.911 65.131 63.200 0.034 0.000 1.041 358 S HN 0.280 nan 8.310 nan 0.000 0.483 359 V N 3.385 123.333 119.914 0.056 0.000 2.313 359 V HA 0.605 4.725 4.120 -0.000 0.000 0.278 359 V C -0.270 175.824 176.094 0.001 0.000 1.017 359 V CA -0.110 62.208 62.300 0.030 0.000 0.823 359 V CB 0.816 32.666 31.823 0.046 0.000 1.010 359 V HN 1.087 nan 8.190 nan 0.000 0.443 360 S N 3.858 119.546 115.700 -0.020 0.000 2.709 360 S HA 0.855 5.324 4.470 -0.000 0.000 0.302 360 S C -0.451 174.130 174.600 -0.032 0.000 1.127 360 S CA -0.735 57.440 58.200 -0.042 0.000 0.905 360 S CB 2.354 65.510 63.200 -0.075 0.000 1.151 360 S HN 0.318 nan 8.310 nan 0.000 0.510 368 R N 0.500 120.946 120.500 -0.090 0.000 2.103 368 R HA 0.125 4.465 4.340 -0.000 0.000 0.212 368 R C 1.720 177.939 176.300 -0.135 0.000 1.107 368 R CA 0.784 56.838 56.100 -0.076 0.000 1.025 368 R CB 0.202 30.435 30.300 -0.111 0.000 0.929 368 R HN 0.095 nan 8.270 nan 0.000 0.456 369 K N 0.913 121.103 120.400 -0.350 0.000 2.057 369 K HA -0.123 4.197 4.320 -0.000 0.000 0.207 369 K C 1.930 178.278 176.600 -0.421 0.000 1.049 369 K CA 1.268 57.153 56.287 -0.669 0.000 0.931 369 K CB 0.022 31.779 32.500 -1.238 0.000 0.714 369 K HN 0.213 nan 8.250 nan 0.000 0.440 370 E N 1.074 121.089 120.200 -0.308 0.000 2.051 370 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 370 E C 2.061 178.676 176.600 0.026 0.000 0.991 370 E CA 1.009 57.338 56.400 -0.118 0.000 0.799 370 E CB -0.029 29.623 29.700 -0.081 0.000 0.748 370 E HN 0.365 nan 8.360 nan 0.000 0.449 371 E N -0.021 120.216 120.200 0.060 0.000 2.118 371 E HA -0.179 4.170 4.350 -0.000 0.000 0.195 371 E C 1.854 178.534 176.600 0.133 0.000 0.992 371 E CA 0.746 57.205 56.400 0.099 0.000 0.804 371 E CB -0.108 29.654 29.700 0.103 0.000 0.741 371 E HN 0.117 nan 8.360 nan 0.000 0.458 372 F N 0.856 120.803 119.950 -0.003 0.000 2.128 372 F HA -0.133 4.394 4.527 -0.000 0.000 0.295 372 F C 2.092 177.952 175.800 0.100 0.000 1.100 372 F CA 0.881 58.906 58.000 0.041 0.000 1.260 372 F CB -0.281 38.756 39.000 0.062 0.000 1.009 372 F HN -0.010 nan 8.300 nan 0.000 0.476 373 L N 0.723 122.056 121.223 0.184 0.000 2.079 373 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 373 L C 2.234 179.109 176.870 0.008 0.000 1.081 373 L CA 1.862 56.788 54.840 0.143 0.000 0.752 373 L CB -0.643 41.583 42.059 0.279 0.000 0.896 373 L HN 0.040 nan 8.230 nan 0.000 0.433 374 K N -0.647 119.765 120.400 0.019 0.000 2.097 374 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 374 K C 2.009 178.597 176.600 -0.021 0.000 1.050 374 K CA 1.627 57.921 56.287 0.011 0.000 0.938 374 K CB -0.114 32.407 32.500 0.036 0.000 0.718 374 K HN 0.432 nan 8.250 nan 0.000 0.442 375 E N 0.476 120.638 120.200 -0.063 0.000 2.150 375 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 375 E C 1.796 178.330 176.600 -0.110 0.000 0.985 375 E CA 0.606 56.959 56.400 -0.078 0.000 0.814 375 E CB 0.090 29.733 29.700 -0.096 0.000 0.752 375 E HN 0.052 nan 8.360 nan 0.000 0.466 376 L N 0.768 121.845 121.223 -0.244 0.000 1.961 376 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 376 L C 2.230 179.082 176.870 -0.030 0.000 1.072 376 L CA 1.550 56.267 54.840 -0.205 0.000 0.749 376 L CB -0.671 41.211 42.059 -0.295 0.000 0.889 376 L HN 0.166 nan 8.230 nan 0.000 0.432 377 I N -0.479 120.071 120.570 -0.034 0.000 2.185 377 I HA -0.390 3.779 4.170 -0.000 0.000 0.246 377 I C 2.179 178.304 176.117 0.013 0.000 1.088 377 I CA 1.723 63.021 61.300 -0.004 0.000 1.347 377 I CB -0.320 37.681 38.000 0.002 0.000 1.041 377 I HN 0.414 nan 8.210 nan 0.000 0.415 378 N N 0.169 118.885 118.700 0.027 0.000 2.216 378 N HA -0.165 4.574 4.740 -0.000 0.000 0.183 378 N C 1.740 177.290 175.510 0.066 0.000 1.017 378 N CA 0.819 53.891 53.050 0.038 0.000 0.861 378 N CB -0.148 38.363 38.487 0.041 0.000 0.986 378 N HN 0.165 nan 8.380 nan 0.000 0.428 379 F N 1.033 120.945 119.950 -0.063 0.000 2.126 379 F HA -0.042 4.485 4.527 -0.000 0.000 0.299 379 F C 1.634 177.403 175.800 -0.051 0.000 1.096 379 F CA 1.250 59.217 58.000 -0.055 0.000 1.255 379 F CB -0.154 38.807 39.000 -0.066 0.000 0.997 379 F HN 0.053 nan 8.300 nan 0.000 0.479 380 L N -0.723 120.520 121.223 0.032 0.000 2.240 380 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 380 L C 2.323 179.143 176.870 -0.083 0.000 1.106 380 L CA 0.920 55.733 54.840 -0.045 0.000 0.793 380 L CB -0.649 41.413 42.059 0.005 0.000 0.927 380 L HN 0.025 nan 8.230 nan 0.000 0.446 381 K N 0.361 120.724 120.400 -0.062 0.000 2.057 381 K HA -0.081 4.239 4.320 -0.000 0.000 0.206 381 K C 1.362 177.909 176.600 -0.088 0.000 1.050 381 K CA 1.024 57.275 56.287 -0.059 0.000 0.935 381 K CB 0.031 32.510 32.500 -0.035 0.000 0.715 381 K HN 0.241 nan 8.250 nan 0.000 0.439 382 N N 0.780 119.406 118.700 -0.124 0.000 2.501 382 N HA -0.040 4.700 4.740 -0.000 0.000 0.195 382 N C 0.331 175.713 175.510 -0.214 0.000 1.213 382 N CA 0.742 53.697 53.050 -0.157 0.000 0.864 382 N CB 0.481 38.866 38.487 -0.169 0.000 0.999 382 N HN 0.113 nan 8.380 nan 0.000 0.454 383 K N -1.175 119.104 120.400 -0.202 0.000 2.501 383 K HA 0.209 4.529 4.320 -0.000 0.000 0.204 383 K C 0.676 177.195 176.600 -0.136 0.000 1.067 383 K CA 0.147 56.312 56.287 -0.202 0.000 1.060 383 K CB 0.918 33.269 32.500 -0.247 0.000 0.873 383 K HN 0.093 nan 8.250 nan 0.000 0.540 384 G N 1.271 110.007 108.800 -0.107 0.000 2.268 384 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.240 384 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.240 384 G C -0.011 174.853 174.900 -0.060 0.000 1.010 384 G CA 0.002 45.055 45.100 -0.078 0.000 0.618 384 G HN 0.146 nan 8.290 nan 0.000 0.516 385 I N 1.600 122.133 120.570 -0.062 0.000 2.331 385 I HA 0.496 4.666 4.170 -0.000 0.000 0.292 385 I C 0.125 176.219 176.117 -0.038 0.000 0.998 385 I CA -0.467 60.806 61.300 -0.045 0.000 1.267 385 I CB 1.714 39.688 38.000 -0.043 0.000 1.386 385 I HN 0.028 nan 8.210 nan 0.000 0.476 386 K N 6.831 127.214 120.400 -0.029 0.000 2.265 386 K HA 0.584 4.904 4.320 -0.000 0.000 0.267 386 K C -1.061 175.530 176.600 -0.016 0.000 0.994 386 K CA -0.455 55.819 56.287 -0.022 0.000 0.860 386 K CB 1.354 33.843 32.500 -0.019 0.000 1.099 386 K HN 0.455 nan 8.250 nan 0.000 0.448 387 L N 3.396 124.612 121.223 -0.013 0.000 2.305 387 L HA 0.337 4.677 4.340 -0.000 0.000 0.281 387 L C -0.002 176.866 176.870 -0.003 0.000 1.085 387 L CA -0.398 54.437 54.840 -0.009 0.000 0.813 387 L CB 0.667 42.722 42.059 -0.007 0.000 1.157 387 L HN 0.475 nan 8.230 nan 0.000 0.436 388 K N 4.772 125.171 120.400 -0.002 0.000 2.507 388 K HA 0.467 4.787 4.320 -0.000 0.000 0.253 388 K C -0.696 175.907 176.600 0.004 0.000 0.969 388 K CA -0.540 55.748 56.287 0.001 0.000 0.908 388 K CB 1.842 34.342 32.500 -0.001 0.000 1.127 388 K HN 0.473 nan 8.250 nan 0.000 0.437 389 I N 3.437 124.014 120.570 0.011 0.000 2.581 389 I HA -0.083 4.087 4.170 -0.000 0.000 0.285 389 I C 1.526 177.651 176.117 0.013 0.000 1.129 389 I CA 0.355 61.665 61.300 0.016 0.000 1.397 389 I CB 0.382 38.398 38.000 0.027 0.000 1.399 389 I HN 0.567 nan 8.210 nan 0.000 0.537 390 K N 4.426 124.831 120.400 0.009 0.000 2.099 390 K HA 0.171 4.491 4.320 -0.000 0.000 0.203 390 K C 0.738 177.344 176.600 0.011 0.000 1.047 390 K CA 0.514 56.806 56.287 0.007 0.000 0.963 390 K CB 0.349 32.850 32.500 0.001 0.000 0.759 390 K HN 0.851 nan 8.250 nan 0.000 0.451 391 G N 1.191 109.999 108.800 0.013 0.000 2.552 391 G HA2 0.201 4.161 3.960 -0.000 0.000 0.288 391 G HA3 0.201 4.161 3.960 -0.000 0.000 0.288 391 G C -1.665 173.248 174.900 0.023 0.000 1.358 391 G CA -0.711 44.399 45.100 0.017 0.000 1.305 391 G HN -0.041 nan 8.290 nan 0.000 0.602 392 K N 1.617 122.034 120.400 0.028 0.000 2.316 392 K HA 0.420 4.740 4.320 -0.000 0.000 0.289 392 K C -0.126 176.490 176.600 0.027 0.000 1.070 392 K CA -0.153 56.154 56.287 0.034 0.000 0.928 392 K CB 1.124 33.644 32.500 0.033 0.000 1.039 392 K HN 0.337 nan 8.250 nan 0.000 0.480 393 S N 3.640 119.359 115.700 0.031 0.000 2.532 393 S HA 0.192 4.662 4.470 -0.000 0.000 0.318 393 S C -0.704 173.913 174.600 0.027 0.000 1.083 393 S CA -0.842 57.373 58.200 0.026 0.000 1.131 393 S CB 0.358 63.572 63.200 0.025 0.000 0.973 393 S HN 0.393 nan 8.310 nan 0.000 0.468 394 L N 5.105 126.337 121.223 0.015 0.000 2.275 394 L HA 0.663 5.003 4.340 -0.000 0.000 0.288 394 L C -1.012 175.862 176.870 0.007 0.000 1.046 394 L CA -0.215 54.627 54.840 0.003 0.000 0.805 394 L CB 0.283 42.330 42.059 -0.020 0.000 1.193 394 L HN 0.576 nan 8.230 nan 0.000 0.426 395 I N 5.642 126.217 120.570 0.009 0.000 2.474 395 I HA 0.350 4.520 4.170 -0.000 0.000 0.294 395 I C -0.858 175.260 176.117 0.002 0.000 1.005 395 I CA -0.606 60.701 61.300 0.011 0.000 1.113 395 I CB 2.000 40.014 38.000 0.024 0.000 1.289 395 I HN 0.509 nan 8.210 nan 0.000 0.436 396 L N 5.885 127.109 121.223 0.001 0.000 2.277 396 L HA 0.594 4.934 4.340 -0.000 0.000 0.284 396 L C 0.337 177.205 176.870 -0.005 0.000 1.028 396 L CA -0.071 54.767 54.840 -0.004 0.000 0.835 396 L CB 1.298 43.356 42.059 -0.003 0.000 1.215 396 L HN 0.721 nan 8.230 nan 0.000 0.425 397 A N 3.119 125.934 122.820 -0.008 0.000 2.246 397 A HA 0.600 4.920 4.320 -0.000 0.000 0.291 397 A C 0.348 177.924 177.584 -0.014 0.000 1.103 397 A CA 0.002 52.032 52.037 -0.011 0.000 0.844 397 A CB 1.034 20.026 19.000 -0.013 0.000 1.136 397 A HN 0.836 nan 8.150 nan 0.000 0.500 398 Q N -1.628 118.162 119.800 -0.017 0.000 2.497 398 Q HA 0.228 4.568 4.340 -0.000 0.000 0.201 398 Q C -0.430 175.556 176.000 -0.022 0.000 0.724 398 Q CA 0.737 56.530 55.803 -0.017 0.000 0.923 398 Q CB 1.233 29.961 28.738 -0.015 0.000 1.302 398 Q HN 0.817 nan 8.270 nan 0.000 0.484 399 T N -1.383 113.156 114.554 -0.025 0.000 2.676 399 T HA 0.173 4.523 4.350 -0.000 0.000 0.299 399 T C -0.245 174.434 174.700 -0.036 0.000 1.657 399 T CA -0.824 61.257 62.100 -0.031 0.000 0.985 399 T CB 0.502 69.351 68.868 -0.032 0.000 1.926 399 T HN 0.008 nan 8.240 nan 0.000 0.456 400 R N 0.993 121.466 120.500 -0.044 0.000 2.293 400 R HA -0.240 4.099 4.340 -0.000 0.000 0.270 400 R C 1.668 177.930 176.300 -0.063 0.000 1.192 400 R CA 2.150 58.215 56.100 -0.058 0.000 1.017 400 R CB -0.440 29.823 30.300 -0.061 0.000 0.887 400 R HN 0.610 nan 8.270 nan 0.000 0.480 401 E N 0.167 120.340 120.200 -0.046 0.000 2.393 401 E HA -0.247 4.102 4.350 -0.000 0.000 0.201 401 E C 1.668 178.245 176.600 -0.039 0.000 1.025 401 E CA 0.883 57.259 56.400 -0.040 0.000 0.856 401 E CB -0.061 29.623 29.700 -0.027 0.000 0.771 401 E HN 0.498 nan 8.360 nan 0.000 0.526 402 E N 0.457 120.633 120.200 -0.039 0.000 2.158 402 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 402 E C 2.007 178.582 176.600 -0.042 0.000 0.982 402 E CA 0.625 57.009 56.400 -0.026 0.000 0.823 402 E CB 0.022 29.714 29.700 -0.014 0.000 0.766 402 E HN 0.242 nan 8.360 nan 0.000 0.468 403 A N 1.121 123.872 122.820 -0.114 0.000 2.076 403 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 403 A C 1.851 179.309 177.584 -0.210 0.000 1.160 403 A CA 1.535 53.411 52.037 -0.268 0.000 0.653 403 A CB -0.222 18.539 19.000 -0.398 0.000 0.801 403 A HN 0.144 nan 8.150 nan 0.000 0.455 404 K N -0.711 119.626 120.400 -0.104 0.000 2.099 404 K HA 0.020 4.340 4.320 -0.000 0.000 0.203 404 K C 1.653 178.253 176.600 -0.001 0.000 1.047 404 K CA 1.059 57.317 56.287 -0.048 0.000 0.963 404 K CB -0.080 32.395 32.500 -0.042 0.000 0.759 404 K HN 0.488 nan 8.250 nan 0.000 0.451 405 E N 0.918 121.118 120.200 0.001 0.000 2.478 405 E HA -0.104 4.246 4.350 -0.000 0.000 0.198 405 E C 1.594 178.220 176.600 0.044 0.000 1.046 405 E CA 0.646 57.057 56.400 0.018 0.000 0.870 405 E CB 0.229 29.936 29.700 0.011 0.000 0.818 405 E HN 0.163 nan 8.360 nan 0.000 0.527 406 K N 0.207 120.650 120.400 0.072 0.000 2.335 406 K HA 0.105 4.424 4.320 -0.000 0.000 0.195 406 K C 1.957 178.665 176.600 0.180 0.000 1.058 406 K CA -0.103 56.263 56.287 0.133 0.000 0.988 406 K CB 0.357 32.981 32.500 0.207 0.000 0.880 406 K HN 0.053 nan 8.250 nan 0.000 0.513 407 L N 1.397 122.729 121.223 0.183 0.000 2.012 407 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 407 L C 2.149 179.087 176.870 0.113 0.000 1.073 407 L CA 1.393 56.356 54.840 0.204 0.000 0.748 407 L CB -0.317 41.826 42.059 0.139 0.000 0.891 407 L HN 0.186 nan 8.230 nan 0.000 0.431 408 I N -0.316 120.298 120.570 0.073 0.000 2.118 408 I HA -0.260 3.910 4.170 -0.000 0.000 0.241 408 I C -0.441 175.701 176.117 0.041 0.000 1.070 408 I CA 1.578 62.906 61.300 0.047 0.000 1.327 408 I CB -1.842 36.177 38.000 0.032 0.000 1.034 408 I HN 0.235 nan 8.210 nan 0.000 0.405 409 P HA -0.032 nan 4.420 nan 0.000 0.225 409 P C 1.938 179.251 177.300 0.021 0.000 1.156 409 P CA 0.770 63.888 63.100 0.029 0.000 0.787 409 P CB 0.144 31.862 31.700 0.031 0.000 0.802 410 V N -0.224 119.708 119.914 0.030 0.000 2.358 410 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 410 V C 2.206 178.295 176.094 -0.008 0.000 1.047 410 V CA 1.534 63.833 62.300 -0.002 0.000 1.035 410 V CB -0.997 30.814 31.823 -0.021 0.000 0.658 410 V HN 0.051 nan 8.190 nan 0.000 0.452 411 I N 0.929 121.507 120.570 0.013 0.000 2.335 411 I HA -0.234 3.936 4.170 -0.000 0.000 0.251 411 I C 1.835 177.951 176.117 -0.002 0.000 1.129 411 I CA 1.439 62.743 61.300 0.007 0.000 1.402 411 I CB -0.428 37.585 38.000 0.022 0.000 1.069 411 I HN 0.402 nan 8.210 nan 0.000 0.424 412 N N 0.614 119.314 118.700 0.001 0.000 2.336 412 N HA -0.028 4.712 4.740 -0.000 0.000 0.189 412 N C 1.212 176.717 175.510 -0.008 0.000 1.113 412 N CA 0.305 53.354 53.050 -0.002 0.000 0.858 412 N CB 0.142 38.631 38.487 0.003 0.000 0.970 412 N HN 0.350 nan 8.380 nan 0.000 0.471 413 K N 1.329 121.720 120.400 -0.014 0.000 2.546 413 K HA 0.221 4.541 4.320 -0.000 0.000 0.198 413 K C 1.258 177.842 176.600 -0.028 0.000 1.028 413 K CA -0.040 56.235 56.287 -0.020 0.000 1.150 413 K CB -0.048 32.437 32.500 -0.025 0.000 0.876 413 K HN 0.158 nan 8.250 nan 0.000 0.508 414 I N -0.324 120.230 120.570 -0.027 0.000 3.059 414 I HA -0.180 3.989 4.170 -0.000 0.000 0.270 414 I C 1.258 177.359 176.117 -0.027 0.000 1.238 414 I CA 0.310 61.590 61.300 -0.033 0.000 1.478 414 I CB -0.238 37.741 38.000 -0.035 0.000 1.097 414 I HN 0.129 nan 8.210 nan 0.000 0.455 415 K N 0.817 121.205 120.400 -0.020 0.000 2.728 415 K HA -0.375 3.945 4.320 -0.000 0.000 0.202 415 K C 0.864 177.455 176.600 -0.016 0.000 0.892 415 K CA 2.402 58.680 56.287 -0.015 0.000 0.885 415 K CB -0.248 32.245 32.500 -0.012 0.000 1.360 415 K HN 0.344 nan 8.250 nan 0.000 0.539 416 D N -2.596 117.792 120.400 -0.020 0.000 4.435 416 D HA -0.068 4.571 4.640 -0.000 0.000 0.099 416 D C -0.932 175.356 176.300 -0.021 0.000 0.397 416 D CA 0.661 54.649 54.000 -0.020 0.000 0.575 416 D CB -0.754 40.038 40.800 -0.014 0.000 1.641 416 D HN 0.053 nan 8.370 nan 0.000 0.017 417 V N -0.073 119.827 119.914 -0.023 0.000 2.788 417 V HA 0.242 4.361 4.120 -0.000 0.000 0.307 417 V C 1.303 177.381 176.094 -0.026 0.000 1.069 417 V CA 0.345 62.631 62.300 -0.023 0.000 1.173 417 V CB 0.941 32.748 31.823 -0.025 0.000 0.925 417 V HN -0.093 nan 8.190 nan 0.000 0.492 418 D N 1.703 122.089 120.400 -0.023 0.000 2.240 418 D HA 0.262 4.901 4.640 -0.000 0.000 0.206 418 D C 0.170 176.456 176.300 -0.024 0.000 0.963 418 D CA 0.835 54.822 54.000 -0.022 0.000 0.863 418 D CB 0.663 41.451 40.800 -0.020 0.000 0.973 418 D HN 0.520 nan 8.370 nan 0.000 0.501 419 L N -0.530 120.676 121.223 -0.029 0.000 2.479 419 L HA 0.482 4.822 4.340 -0.000 0.000 0.255 419 L C -1.859 174.986 176.870 -0.041 0.000 1.026 419 L CA -0.836 53.982 54.840 -0.036 0.000 0.842 419 L CB 2.461 44.496 42.059 -0.040 0.000 1.444 419 L HN -0.317 nan 8.230 nan 0.000 0.409 420 V N 3.650 123.531 119.914 -0.055 0.000 2.569 420 V HA 0.509 4.629 4.120 -0.000 0.000 0.301 420 V C -0.584 175.453 176.094 -0.095 0.000 1.044 420 V CA -0.358 61.904 62.300 -0.063 0.000 0.874 420 V CB 1.709 33.495 31.823 -0.063 0.000 1.002 420 V HN 0.565 nan 8.190 nan 0.000 0.424 421 I N 5.247 125.751 120.570 -0.110 0.000 2.339 421 I HA 0.526 4.696 4.170 -0.000 0.000 0.290 421 I C -0.606 175.360 176.117 -0.252 0.000 0.994 421 I CA -0.801 60.373 61.300 -0.211 0.000 1.191 421 I CB 1.837 39.688 38.000 -0.248 0.000 1.343 421 I HN 0.259 nan 8.210 nan 0.000 0.458 422 V N 6.852 126.595 119.914 -0.286 0.000 2.448 422 V HA 0.388 4.508 4.120 -0.000 0.000 0.295 422 V C -0.546 175.403 176.094 -0.242 0.000 1.025 422 V CA -0.549 61.638 62.300 -0.188 0.000 0.859 422 V CB 1.477 33.242 31.823 -0.095 0.000 0.988 422 V HN 0.391 nan 8.190 nan 0.000 0.431 423 F N 5.174 125.127 119.950 0.005 0.000 2.334 423 F HA 0.567 5.094 4.527 -0.000 0.000 0.367 423 F C 0.149 175.942 175.800 -0.012 0.000 1.115 423 F CA -0.393 57.605 58.000 -0.003 0.000 1.116 423 F CB 1.003 39.991 39.000 -0.021 0.000 1.230 423 F HN 0.206 nan 8.300 nan 0.000 0.484 424 L N 2.503 123.821 121.223 0.159 0.000 2.343 424 L HA 0.456 4.796 4.340 -0.000 0.000 0.275 424 L C 0.273 177.178 176.870 0.057 0.000 1.056 424 L CA -0.875 54.020 54.840 0.093 0.000 0.804 424 L CB 1.524 43.631 42.059 0.079 0.000 1.203 424 L HN 0.476 nan 8.230 nan 0.000 0.440 437 L N 0.950 122.271 121.223 0.164 0.000 2.353 437 L HA -0.155 4.184 4.340 -0.000 0.000 0.220 437 L C 1.974 178.953 176.870 0.182 0.000 1.133 437 L CA 1.027 55.926 54.840 0.099 0.000 0.798 437 L CB -0.506 41.531 42.059 -0.037 0.000 0.922 437 L HN 0.313 nan 8.230 nan 0.000 0.445 438 L N -1.272 120.052 121.223 0.169 0.000 1.988 438 L HA -0.263 4.076 4.340 -0.000 0.000 0.207 438 L C 2.626 179.650 176.870 0.258 0.000 1.071 438 L CA 1.602 56.556 54.840 0.191 0.000 0.744 438 L CB -0.686 41.435 42.059 0.104 0.000 0.893 438 L HN 0.159 nan 8.230 nan 0.000 0.433 439 Y N 1.196 121.577 120.300 0.136 0.000 2.053 439 Y HA -0.369 4.180 4.550 -0.000 0.000 0.277 439 Y C 2.380 178.358 175.900 0.130 0.000 1.159 439 Y CA 2.074 60.250 58.100 0.128 0.000 1.125 439 Y CB -0.246 38.308 38.460 0.157 0.000 0.969 439 Y HN 0.253 nan 8.280 nan 0.000 0.492 440 D N 0.041 120.708 120.400 0.445 0.000 2.106 440 D HA -0.256 4.384 4.640 -0.000 0.000 0.191 440 D C 1.958 178.376 176.300 0.197 0.000 0.997 440 D CA 1.871 56.070 54.000 0.333 0.000 0.834 440 D CB -0.966 40.018 40.800 0.306 0.000 0.956 440 D HN 0.470 nan 8.370 nan 0.000 0.448 441 F N 1.728 121.733 119.950 0.092 0.000 2.069 441 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 441 F C 2.203 178.016 175.800 0.022 0.000 1.113 441 F CA 1.175 59.207 58.000 0.053 0.000 1.214 441 F CB -0.597 38.426 39.000 0.039 0.000 0.978 441 F HN -0.172 nan 8.300 nan 0.000 0.474 442 V N 1.065 120.794 119.914 -0.310 0.000 2.332 442 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 442 V C 2.599 178.494 176.094 -0.332 0.000 1.055 442 V CA 2.189 64.248 62.300 -0.401 0.000 1.038 442 V CB -0.883 30.844 31.823 -0.159 0.000 0.651 442 V HN 0.272 nan 8.190 nan 0.000 0.450 443 K N 0.106 120.350 120.400 -0.260 0.000 2.057 443 K HA -0.095 4.224 4.320 -0.000 0.000 0.206 443 K C 2.356 178.897 176.600 -0.097 0.000 1.050 443 K CA 1.246 57.416 56.287 -0.194 0.000 0.935 443 K CB -0.329 32.042 32.500 -0.215 0.000 0.715 443 K HN 0.447 nan 8.250 nan 0.000 0.439 444 R N 0.802 121.244 120.500 -0.097 0.000 2.091 444 R HA -0.109 4.231 4.340 -0.000 0.000 0.238 444 R C 2.099 178.334 176.300 -0.109 0.000 1.136 444 R CA 1.107 57.171 56.100 -0.060 0.000 0.959 444 R CB -0.064 30.214 30.300 -0.036 0.000 0.856 444 R HN 0.230 nan 8.270 nan 0.000 0.437 445 E N 0.703 120.761 120.200 -0.237 0.000 2.106 445 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 445 E C 2.022 178.538 176.600 -0.140 0.000 0.984 445 E CA 0.909 57.175 56.400 -0.225 0.000 0.806 445 E CB -0.019 29.442 29.700 -0.398 0.000 0.750 445 E HN 0.368 nan 8.360 nan 0.000 0.458 446 L N 0.518 121.661 121.223 -0.134 0.000 2.492 446 L HA 0.014 4.354 4.340 -0.000 0.000 0.223 446 L C 2.345 179.212 176.870 -0.006 0.000 1.132 446 L CA 0.069 54.863 54.840 -0.077 0.000 0.850 446 L CB -0.040 41.967 42.059 -0.087 0.000 0.966 446 L HN 0.066 nan 8.230 nan 0.000 0.454 447 L N -0.577 120.663 121.223 0.028 0.000 2.162 447 L HA -0.106 4.233 4.340 -0.000 0.000 0.205 447 L C 2.453 179.373 176.870 0.083 0.000 1.086 447 L CA 0.964 55.895 54.840 0.151 0.000 0.778 447 L CB -0.035 42.112 42.059 0.147 0.000 0.928 447 L HN 0.187 nan 8.230 nan 0.000 0.446 448 K N 0.055 120.453 120.400 -0.004 0.000 2.057 448 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 448 K C 0.746 177.305 176.600 -0.069 0.000 1.049 448 K CA 0.993 57.257 56.287 -0.039 0.000 0.931 448 K CB 0.022 32.494 32.500 -0.047 0.000 0.714 448 K HN 0.253 nan 8.250 nan 0.000 0.440 452 P HA 0.097 nan 4.420 nan 0.000 0.265 452 P C -0.842 176.451 177.300 -0.013 0.000 1.187 452 P CA 0.126 63.252 63.100 0.044 0.000 0.766 452 P CB 0.509 32.214 31.700 0.008 0.000 0.820 453 S N 1.259 116.939 115.700 -0.034 0.000 2.547 453 S HA 0.557 5.027 4.470 -0.000 0.000 0.281 453 S C -1.097 173.447 174.600 -0.095 0.000 1.118 453 S CA -0.845 57.309 58.200 -0.076 0.000 0.947 453 S CB 1.783 64.923 63.200 -0.099 0.000 1.053 453 S HN 0.282 nan 8.310 nan 0.000 0.482 454 Q N 2.001 121.737 119.800 -0.107 0.000 2.381 454 Q HA 0.513 4.852 4.340 -0.000 0.000 0.263 454 Q C -1.581 174.335 176.000 -0.140 0.000 1.030 454 Q CA -0.494 55.252 55.803 -0.096 0.000 0.772 454 Q CB 1.268 29.958 28.738 -0.080 0.000 1.232 454 Q HN 0.675 nan 8.270 nan 0.000 0.476 455 V N 6.683 126.521 119.914 -0.127 0.000 2.299 455 V HA 0.294 4.414 4.120 -0.000 0.000 0.255 455 V C 0.108 176.211 176.094 0.015 0.000 1.100 455 V CA -0.288 61.941 62.300 -0.118 0.000 0.938 455 V CB -0.093 31.557 31.823 -0.288 0.000 1.139 455 V HN 0.739 nan 8.190 nan 0.000 0.490 456 I N 5.473 125.997 120.570 -0.076 0.000 2.396 456 I HA 0.256 4.425 4.170 -0.000 0.000 0.289 456 I C 0.131 176.294 176.117 0.077 0.000 1.056 456 I CA -0.109 61.189 61.300 -0.004 0.000 1.365 456 I CB 0.825 38.769 38.000 -0.094 0.000 1.407 456 I HN 0.327 nan 8.210 nan 0.000 0.509 457 L N 6.661 127.944 121.223 0.100 0.000 2.350 457 L HA 0.232 4.572 4.340 -0.000 0.000 0.275 457 L C 1.536 178.434 176.870 0.046 0.000 1.099 457 L CA -0.293 54.599 54.840 0.086 0.000 0.808 457 L CB 0.660 42.768 42.059 0.082 0.000 1.149 457 L HN 0.618 nan 8.230 nan 0.000 0.442 458 N N 1.391 120.111 118.700 0.032 0.000 2.331 458 N HA -0.106 4.634 4.740 -0.000 0.000 0.180 458 N C 1.632 177.115 175.510 -0.045 0.000 1.019 458 N CA 0.807 53.849 53.050 -0.014 0.000 0.881 458 N CB 0.142 38.614 38.487 -0.025 0.000 0.972 458 N HN 0.520 nan 8.380 nan 0.000 0.435 459 R N 0.477 120.957 120.500 -0.033 0.000 2.092 459 R HA -0.040 4.300 4.340 -0.000 0.000 0.231 459 R C 1.785 178.068 176.300 -0.030 0.000 1.119 459 R CA 1.296 57.376 56.100 -0.035 0.000 0.970 459 R CB -0.020 30.259 30.300 -0.035 0.000 0.864 459 R HN 0.143 nan 8.270 nan 0.000 0.440 460 T N 1.300 115.839 114.554 -0.026 0.000 2.708 460 T HA -0.120 4.229 4.350 -0.000 0.000 0.266 460 T C 1.751 176.394 174.700 -0.095 0.000 1.037 460 T CA 1.213 63.293 62.100 -0.034 0.000 1.146 460 T CB -0.124 68.732 68.868 -0.019 0.000 0.865 460 T HN 0.171 nan 8.240 nan 0.000 0.435 461 L N 0.251 121.378 121.223 -0.161 0.000 2.141 461 L HA -0.027 4.312 4.340 -0.000 0.000 0.209 461 L C 2.761 179.544 176.870 -0.146 0.000 1.094 461 L CA 0.967 55.666 54.840 -0.235 0.000 0.763 461 L CB -0.433 41.433 42.059 -0.323 0.000 0.908 461 L HN 0.063 nan 8.230 nan 0.000 0.437 462 K N 0.052 120.392 120.400 -0.101 0.000 2.031 462 K HA -0.055 4.265 4.320 -0.000 0.000 0.205 462 K C 1.772 178.342 176.600 -0.050 0.000 1.049 462 K CA 1.105 57.352 56.287 -0.068 0.000 0.939 462 K CB -0.158 32.310 32.500 -0.053 0.000 0.717 462 K HN 0.349 nan 8.250 nan 0.000 0.438 463 N N 0.657 119.334 118.700 -0.039 0.000 2.368 463 N HA -0.021 4.718 4.740 -0.000 0.000 0.178 463 N C 0.395 175.898 175.510 -0.011 0.000 1.021 463 N CA 0.532 53.573 53.050 -0.015 0.000 0.875 463 N CB 0.285 38.776 38.487 0.008 0.000 1.020 463 N HN 0.271 nan 8.380 nan 0.000 0.433 464 E N 0.794 120.980 120.200 -0.024 0.000 2.280 464 E HA 0.150 4.500 4.350 -0.000 0.000 0.264 464 E C -0.209 176.334 176.600 -0.096 0.000 1.064 464 E CA -0.643 55.747 56.400 -0.016 0.000 0.900 464 E CB 1.158 30.871 29.700 0.022 0.000 1.123 464 E HN 0.075 nan 8.360 nan 0.000 0.418 465 N N 2.035 120.633 118.700 -0.170 0.000 2.452 465 N HA -0.014 4.725 4.740 -0.000 0.000 0.266 465 N C 1.015 176.290 175.510 -0.393 0.000 1.175 465 N CA -0.087 52.731 53.050 -0.388 0.000 0.945 465 N CB 0.587 38.602 38.487 -0.786 0.000 1.063 465 N HN 0.479 nan 8.380 nan 0.000 0.472 466 L N 3.593 124.668 121.223 -0.246 0.000 2.197 466 L HA -0.246 4.094 4.340 -0.000 0.000 0.215 466 L C 2.187 179.005 176.870 -0.086 0.000 1.095 466 L CA 1.512 56.286 54.840 -0.111 0.000 0.764 466 L CB -0.282 41.760 42.059 -0.029 0.000 0.897 466 L HN 0.598 nan 8.230 nan 0.000 0.436 467 K N -0.757 119.488 120.400 -0.258 0.000 2.103 467 K HA -0.082 4.237 4.320 -0.000 0.000 0.204 467 K C 2.002 178.568 176.600 -0.056 0.000 1.052 467 K CA 0.991 57.167 56.287 -0.186 0.000 0.945 467 K CB -0.047 32.345 32.500 -0.179 0.000 0.722 467 K HN 0.114 nan 8.250 nan 0.000 0.443 468 F N 0.473 120.342 119.950 -0.135 0.000 2.206 468 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 468 F C 2.198 177.788 175.800 -0.350 0.000 1.090 468 F CA 0.393 58.223 58.000 -0.283 0.000 1.323 468 F CB -1.130 37.718 39.000 -0.253 0.000 1.028 468 F HN -0.248 nan 8.300 nan 0.000 0.492 469 V N 0.203 120.113 119.914 -0.006 0.000 2.307 469 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 469 V C 2.458 178.639 176.094 0.145 0.000 1.045 469 V CA 1.371 63.693 62.300 0.037 0.000 1.024 469 V CB -0.958 30.878 31.823 0.022 0.000 0.651 469 V HN 0.282 nan 8.190 nan 0.000 0.449 470 L N -0.464 120.850 121.223 0.150 0.000 2.042 470 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 470 L C 2.230 178.996 176.870 -0.173 0.000 1.076 470 L CA 1.926 56.731 54.840 -0.059 0.000 0.749 470 L CB -0.320 41.594 42.059 -0.243 0.000 0.893 470 L HN 0.197 nan 8.230 nan 0.000 0.432 471 L N -0.578 120.545 121.223 -0.166 0.000 2.044 471 L HA -0.183 4.156 4.340 -0.000 0.000 0.205 471 L C 2.486 179.389 176.870 0.056 0.000 1.075 471 L CA 1.302 56.104 54.840 -0.064 0.000 0.747 471 L CB -0.844 41.236 42.059 0.035 0.000 0.903 471 L HN 0.435 nan 8.230 nan 0.000 0.435 472 N N 0.456 119.062 118.700 -0.157 0.000 2.061 472 N HA -0.180 4.560 4.740 -0.000 0.000 0.193 472 N C 1.759 177.355 175.510 0.144 0.000 1.030 472 N CA 1.781 54.819 53.050 -0.020 0.000 0.856 472 N CB -0.087 38.285 38.487 -0.191 0.000 1.023 472 N HN 0.083 nan 8.380 nan 0.000 0.424 473 V N 1.602 121.574 119.914 0.097 0.000 2.307 473 V HA -0.172 3.948 4.120 -0.000 0.000 0.245 473 V C 2.622 178.769 176.094 0.087 0.000 1.045 473 V CA 1.726 64.090 62.300 0.106 0.000 1.024 473 V CB -1.131 30.777 31.823 0.141 0.000 0.651 473 V HN 0.432 nan 8.190 nan 0.000 0.449 474 A N -0.103 122.770 122.820 0.087 0.000 1.869 474 A HA -0.355 3.965 4.320 -0.000 0.000 0.218 474 A C 2.301 179.963 177.584 0.131 0.000 1.203 474 A CA 2.425 54.542 52.037 0.134 0.000 0.638 474 A CB -0.767 18.376 19.000 0.239 0.000 0.831 474 A HN 0.635 nan 8.150 nan 0.000 0.450 475 E N -0.660 119.653 120.200 0.188 0.000 2.097 475 E HA -0.293 4.056 4.350 -0.000 0.000 0.196 475 E C 2.197 178.848 176.600 0.085 0.000 1.000 475 E CA 1.684 58.196 56.400 0.187 0.000 0.804 475 E CB -0.177 29.731 29.700 0.347 0.000 0.740 475 E HN 0.788 nan 8.360 nan 0.000 0.454 476 Q N -0.299 119.565 119.800 0.106 0.000 2.137 476 Q HA -0.076 4.264 4.340 -0.000 0.000 0.198 476 Q C 2.331 178.318 176.000 -0.022 0.000 0.960 476 Q CA 1.130 56.965 55.803 0.053 0.000 0.847 476 Q CB 0.268 29.061 28.738 0.093 0.000 0.915 476 Q HN 0.211 nan 8.270 nan 0.000 0.448 477 V N 1.180 121.088 119.914 -0.011 0.000 2.515 477 V HA -0.234 3.886 4.120 -0.000 0.000 0.250 477 V C 2.110 178.162 176.094 -0.070 0.000 1.058 477 V CA 1.346 63.623 62.300 -0.038 0.000 1.064 477 V CB -0.349 31.463 31.823 -0.019 0.000 0.675 477 V HN 0.334 nan 8.190 nan 0.000 0.461 478 L N -0.202 120.972 121.223 -0.080 0.000 2.056 478 L HA -0.125 4.214 4.340 -0.000 0.000 0.207 478 L C 2.726 179.462 176.870 -0.223 0.000 1.078 478 L CA 1.564 56.329 54.840 -0.126 0.000 0.749 478 L CB -0.776 41.213 42.059 -0.116 0.000 0.901 478 L HN 0.354 nan 8.230 nan 0.000 0.433 479 A N 0.290 122.916 122.820 -0.323 0.000 1.877 479 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 479 A C 2.260 179.673 177.584 -0.284 0.000 1.186 479 A CA 1.696 53.451 52.037 -0.471 0.000 0.620 479 A CB -0.384 18.305 19.000 -0.518 0.000 0.822 479 A HN 0.291 nan 8.150 nan 0.000 0.443 480 K N -0.439 119.837 120.400 -0.207 0.000 2.360 480 K HA -0.084 4.235 4.320 -0.000 0.000 0.201 480 K C 1.345 177.876 176.600 -0.116 0.000 1.046 480 K CA 1.553 57.735 56.287 -0.174 0.000 0.945 480 K CB -0.167 32.261 32.500 -0.120 0.000 0.750 480 K HN 0.722 nan 8.250 nan 0.000 0.464 481 T N -4.153 110.337 114.554 -0.106 0.000 3.129 481 T HA 0.292 4.642 4.350 -0.000 0.000 0.267 481 T C 1.237 175.900 174.700 -0.062 0.000 1.018 481 T CA 0.106 62.166 62.100 -0.066 0.000 0.903 481 T CB 0.862 69.697 68.868 -0.056 0.000 1.067 481 T HN 0.257 nan 8.240 nan 0.000 0.549 482 G N 2.515 111.261 108.800 -0.090 0.000 2.205 482 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.261 482 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.261 482 G C 0.336 175.199 174.900 -0.061 0.000 0.980 482 G CA 0.020 45.077 45.100 -0.072 0.000 0.632 482 G HN 0.590 nan 8.290 nan 0.000 0.533 483 N N 1.522 120.179 118.700 -0.073 0.000 3.259 483 N HA 0.245 4.985 4.740 -0.000 0.000 0.308 483 N C 1.066 176.524 175.510 -0.086 0.000 1.334 483 N CA 0.429 53.453 53.050 -0.043 0.000 1.202 483 N CB -0.068 38.391 38.487 -0.047 0.000 1.485 483 N HN 0.828 nan 8.380 nan 0.000 0.549 484 I N -1.326 119.177 120.570 -0.111 0.000 2.821 484 I HA 0.039 4.209 4.170 -0.000 0.000 0.294 484 I C -1.123 174.954 176.117 -0.068 0.000 1.210 484 I CA -1.084 60.055 61.300 -0.268 0.000 1.430 484 I CB 0.331 38.170 38.000 -0.268 0.000 1.356 484 I HN -0.040 nan 8.210 nan 0.000 0.563 485 P HA -0.115 nan 4.420 nan 0.000 0.218 485 P C -0.362 177.121 177.300 0.305 0.000 1.149 485 P CA 1.671 64.773 63.100 0.004 0.000 0.817 485 P CB -0.174 31.541 31.700 0.026 0.000 0.785 486 Y N -2.149 118.448 120.300 0.496 0.000 2.725 486 Y HA 0.697 5.247 4.550 -0.000 0.000 0.333 486 Y C -0.826 175.402 175.900 0.547 0.000 1.242 486 Y CA -1.923 56.553 58.100 0.628 0.000 1.059 486 Y CB 0.717 39.572 38.460 0.659 0.000 1.306 486 Y HN -0.186 nan 8.280 nan 0.000 0.454 487 K N 0.960 121.728 120.400 0.614 0.000 2.536 487 K HA 0.662 4.981 4.320 -0.000 0.000 0.269 487 K C -1.855 174.907 176.600 0.271 0.000 0.965 487 K CA -0.969 55.503 56.287 0.309 0.000 0.860 487 K CB 2.381 34.882 32.500 0.002 0.000 1.423 487 K HN 0.760 nan 8.250 nan 0.000 0.438 488 L N 2.406 123.720 121.223 0.152 0.000 2.483 488 L HA 0.114 4.454 4.340 -0.000 0.000 0.276 488 L C 1.723 178.638 176.870 0.074 0.000 1.213 488 L CA 0.027 54.918 54.840 0.084 0.000 0.843 488 L CB 0.451 42.524 42.059 0.023 0.000 1.107 488 L HN 0.859 nan 8.230 nan 0.000 0.487 489 K N 1.131 121.562 120.400 0.051 0.000 2.098 489 K HA 0.016 4.335 4.320 -0.000 0.000 0.203 489 K C 0.192 176.816 176.600 0.039 0.000 1.051 489 K CA 0.839 57.155 56.287 0.049 0.000 0.957 489 K CB 0.458 32.972 32.500 0.023 0.000 0.738 489 K HN 0.594 nan 8.250 nan 0.000 0.447 490 E N 0.176 120.392 120.200 0.027 0.000 2.321 490 E HA 0.382 4.732 4.350 -0.000 0.000 0.278 490 E C -1.806 174.811 176.600 0.027 0.000 0.902 490 E CA -0.473 55.946 56.400 0.030 0.000 0.758 490 E CB 1.486 31.198 29.700 0.020 0.000 1.213 490 E HN 0.166 nan 8.360 nan 0.000 0.426 491 I N 2.603 123.199 120.570 0.042 0.000 2.433 491 I HA 0.279 4.449 4.170 -0.000 0.000 0.292 491 I C 0.057 176.216 176.117 0.070 0.000 1.001 491 I CA -0.927 60.394 61.300 0.035 0.000 1.119 491 I CB 1.883 39.891 38.000 0.012 0.000 1.289 491 I HN 0.545 nan 8.210 nan 0.000 0.438 492 E N 5.001 125.238 120.200 0.062 0.000 2.406 492 E HA 0.234 4.584 4.350 -0.000 0.000 0.258 492 E C 0.714 177.365 176.600 0.085 0.000 1.043 492 E CA 0.697 57.133 56.400 0.060 0.000 0.929 492 E CB 0.276 30.003 29.700 0.045 0.000 0.969 492 E HN 0.922 nan 8.360 nan 0.000 0.462 493 G N 4.361 113.205 108.800 0.074 0.000 2.234 493 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.153 493 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.153 493 G C -0.243 174.693 174.900 0.060 0.000 1.013 493 G CA -0.239 44.904 45.100 0.071 0.000 0.712 493 G HN 0.639 nan 8.290 nan 0.000 0.491 494 K N -0.547 119.892 120.400 0.065 0.000 4.430 494 K HA -0.088 4.232 4.320 -0.000 0.000 0.283 494 K C -0.060 176.546 176.600 0.010 0.000 0.845 494 K CA 0.954 57.268 56.287 0.045 0.000 0.819 494 K CB -1.052 31.468 32.500 0.033 0.000 1.735 494 K HN 0.493 nan 8.250 nan 0.000 0.429 495 V N 1.351 121.261 119.914 -0.007 0.000 2.604 495 V HA 0.123 4.243 4.120 -0.000 0.000 0.305 495 V C 0.655 176.671 176.094 -0.131 0.000 1.043 495 V CA -0.650 61.552 62.300 -0.162 0.000 0.888 495 V CB 1.963 33.538 31.823 -0.413 0.000 0.995 495 V HN 0.367 nan 8.190 nan 0.000 0.429 496 D N 2.449 122.762 120.400 -0.146 0.000 2.305 496 D HA 0.366 5.006 4.640 -0.000 0.000 0.206 496 D C 0.505 176.792 176.300 -0.022 0.000 0.974 496 D CA 1.144 55.144 54.000 -0.000 0.000 0.871 496 D CB 0.669 41.532 40.800 0.106 0.000 0.947 496 D HN 0.694 nan 8.370 nan 0.000 0.516 497 A N -0.164 122.436 122.820 -0.366 0.000 2.582 497 A HA 0.532 4.852 4.320 -0.000 0.000 0.297 497 A C -1.794 175.446 177.584 -0.572 0.000 1.059 497 A CA -0.723 51.090 52.037 -0.373 0.000 0.705 497 A CB 0.532 19.123 19.000 -0.680 0.000 1.279 497 A HN -0.051 nan 8.150 nan 0.000 0.404 498 F N 1.810 121.683 119.950 -0.128 0.000 2.347 498 F HA 0.494 5.021 4.527 -0.000 0.000 0.366 498 F C 0.519 176.233 175.800 -0.143 0.000 1.107 498 F CA -0.599 57.281 58.000 -0.200 0.000 1.058 498 F CB 2.088 40.951 39.000 -0.228 0.000 1.236 498 F HN 0.522 nan 8.300 nan 0.000 0.456 499 V N 2.152 121.990 119.914 -0.127 0.000 2.398 499 V HA 0.941 5.061 4.120 -0.000 0.000 0.286 499 V C -0.111 175.947 176.094 -0.059 0.000 1.026 499 V CA -0.285 61.968 62.300 -0.079 0.000 0.868 499 V CB 1.052 32.773 31.823 -0.170 0.000 0.982 499 V HN 0.738 nan 8.190 nan 0.000 0.443 500 G N 6.446 115.251 108.800 0.009 0.000 2.417 500 G HA2 0.716 4.676 3.960 -0.000 0.000 0.320 500 G HA3 0.716 4.676 3.960 -0.000 0.000 0.320 500 G C -0.876 174.023 174.900 -0.002 0.000 1.204 500 G CA -0.750 44.364 45.100 0.024 0.000 0.923 500 G HN 0.894 nan 8.290 nan 0.000 0.466 501 I N 1.317 121.918 120.570 0.052 0.000 2.785 501 I HA 0.517 4.687 4.170 -0.000 0.000 0.302 501 I C -1.277 174.898 176.117 0.096 0.000 1.069 501 I CA -0.921 60.426 61.300 0.078 0.000 1.045 501 I CB 2.852 40.960 38.000 0.180 0.000 1.236 501 I HN 0.325 nan 8.210 nan 0.000 0.429 502 D N 5.162 125.630 120.400 0.112 0.000 2.934 502 D HA 0.551 5.190 4.640 -0.000 0.000 0.230 502 D C -1.570 174.823 176.300 0.156 0.000 1.204 502 D CA -0.271 53.803 54.000 0.123 0.000 0.873 502 D CB 2.788 43.643 40.800 0.091 0.000 1.645 502 D HN 0.390 nan 8.370 nan 0.000 0.502 503 I N 1.943 122.611 120.570 0.164 0.000 2.478 503 I HA 0.232 4.402 4.170 -0.000 0.000 0.287 503 I C -0.470 175.730 176.117 0.138 0.000 1.042 503 I CA -0.521 60.877 61.300 0.162 0.000 1.067 503 I CB 2.056 40.157 38.000 0.168 0.000 1.233 503 I HN 0.091 nan 8.210 nan 0.000 0.431 504 S N 5.837 121.600 115.700 0.105 0.000 2.519 504 S HA 0.641 5.111 4.470 -0.000 0.000 0.309 504 S C -0.497 174.136 174.600 0.056 0.000 1.100 504 S CA -0.745 57.499 58.200 0.074 0.000 1.059 504 S CB 1.678 64.906 63.200 0.046 0.000 1.008 504 S HN 0.498 nan 8.310 nan 0.000 0.478 505 R N 1.548 122.072 120.500 0.039 0.000 2.787 505 R HA 0.621 4.961 4.340 -0.000 0.000 0.271 505 R C -0.788 175.521 176.300 0.015 0.000 0.993 505 R CA -0.666 55.448 56.100 0.024 0.000 0.993 505 R CB 1.356 31.657 30.300 0.002 0.000 1.155 505 R HN 0.505 nan 8.270 nan 0.000 0.486 506 I N 1.439 122.015 120.570 0.010 0.000 2.339 506 I HA 0.205 4.374 4.170 -0.000 0.000 0.290 506 I C -0.358 175.764 176.117 0.008 0.000 0.994 506 I CA -0.378 60.926 61.300 0.007 0.000 1.191 506 I CB 1.954 39.954 38.000 0.001 0.000 1.343 506 I HN 0.563 nan 8.210 nan 0.000 0.458 507 T N 6.851 121.414 114.554 0.016 0.000 2.743 507 T HA 0.422 4.772 4.350 -0.000 0.000 0.293 507 T C 0.034 174.750 174.700 0.028 0.000 0.945 507 T CA -0.547 61.568 62.100 0.024 0.000 1.030 507 T CB 0.505 69.396 68.868 0.039 0.000 0.912 507 T HN 0.460 nan 8.240 nan 0.000 0.483 508 R N 3.062 123.577 120.500 0.024 0.000 2.521 508 R HA 0.313 4.652 4.340 -0.000 0.000 0.295 508 R C -0.591 175.726 176.300 0.028 0.000 1.183 508 R CA -0.434 55.681 56.100 0.025 0.000 0.957 508 R CB 0.982 31.290 30.300 0.013 0.000 1.171 508 R HN 0.707 nan 8.270 nan 0.000 0.494 509 D N 0.710 121.135 120.400 0.041 0.000 4.471 509 D HA -0.240 4.400 4.640 -0.000 0.000 0.175 509 D C 1.052 177.377 176.300 0.041 0.000 0.840 509 D CA 2.420 56.445 54.000 0.041 0.000 1.874 509 D CB -1.168 39.647 40.800 0.025 0.000 1.080 509 D HN 0.627 nan 8.370 nan 0.000 0.448 510 G N -0.436 108.380 108.800 0.028 0.000 2.714 510 G HA2 0.301 4.261 3.960 -0.000 0.000 0.204 510 G HA3 0.301 4.261 3.960 -0.000 0.000 0.204 510 G C -0.157 174.755 174.900 0.019 0.000 1.197 510 G CA -0.005 45.110 45.100 0.025 0.000 0.642 510 G HN 0.255 nan 8.290 nan 0.000 0.849 511 K N 1.896 122.305 120.400 0.015 0.000 2.156 511 K HA 0.510 4.829 4.320 -0.000 0.000 0.271 511 K C -0.491 176.115 176.600 0.009 0.000 0.995 511 K CA -0.220 56.074 56.287 0.013 0.000 0.890 511 K CB 1.548 34.058 32.500 0.017 0.000 1.073 511 K HN 0.078 nan 8.250 nan 0.000 0.454 512 T N 2.183 116.741 114.554 0.007 0.000 2.822 512 T HA -0.047 4.303 4.350 -0.000 0.000 0.288 512 T C 1.256 175.951 174.700 -0.008 0.000 0.991 512 T CA -0.292 61.809 62.100 0.001 0.000 1.176 512 T CB 0.287 69.157 68.868 0.003 0.000 0.951 512 T HN 0.255 nan 8.240 nan 0.000 0.526 513 V N 2.649 122.555 119.914 -0.014 0.000 2.403 513 V HA 0.112 4.231 4.120 -0.000 0.000 0.228 513 V C 1.169 177.239 176.094 -0.040 0.000 1.082 513 V CA 0.527 62.809 62.300 -0.030 0.000 1.073 513 V CB -0.214 31.597 31.823 -0.020 0.000 0.696 513 V HN 0.760 nan 8.190 nan 0.000 0.485 514 N N 0.041 118.728 118.700 -0.022 0.000 2.466 514 N HA 0.630 5.370 4.740 -0.000 0.000 0.294 514 N C -0.920 174.600 175.510 0.016 0.000 1.129 514 N CA 0.274 53.316 53.050 -0.014 0.000 0.931 514 N CB 1.660 40.136 38.487 -0.018 0.000 1.193 514 N HN 0.549 nan 8.380 nan 0.000 0.500 515 A N 1.303 124.154 122.820 0.050 0.000 2.547 515 A HA 0.639 4.959 4.320 -0.000 0.000 0.297 515 A C -1.625 176.045 177.584 0.143 0.000 1.056 515 A CA -0.548 51.549 52.037 0.100 0.000 0.688 515 A CB 1.056 20.135 19.000 0.133 0.000 1.282 515 A HN 0.364 nan 8.150 nan 0.000 0.400 516 V N 0.832 120.824 119.914 0.129 0.000 2.656 516 V HA 0.804 4.924 4.120 -0.000 0.000 0.307 516 V C 0.195 176.400 176.094 0.184 0.000 1.051 516 V CA -0.173 62.196 62.300 0.115 0.000 0.893 516 V CB 1.763 33.602 31.823 0.025 0.000 0.999 516 V HN 1.567 nan 8.190 nan 0.000 0.426 517 A N 4.311 127.279 122.820 0.247 0.000 2.318 517 A HA 0.859 5.179 4.320 -0.000 0.000 0.317 517 A C -1.369 176.395 177.584 0.301 0.000 1.159 517 A CA -0.365 51.846 52.037 0.291 0.000 0.799 517 A CB 0.973 20.225 19.000 0.421 0.000 1.194 517 A HN 0.737 nan 8.150 nan 0.000 0.479 518 F N 2.696 122.688 119.950 0.069 0.000 2.434 518 F HA 0.539 5.066 4.527 -0.000 0.000 0.355 518 F C -0.162 175.677 175.800 0.065 0.000 1.115 518 F CA -0.406 57.611 58.000 0.028 0.000 1.010 518 F CB 1.519 40.472 39.000 -0.078 0.000 1.234 518 F HN 0.447 nan 8.300 nan 0.000 0.439 519 T N 5.682 120.165 114.554 -0.117 0.000 2.867 519 T HA 0.434 4.784 4.350 -0.000 0.000 0.282 519 T C -0.621 173.877 174.700 -0.337 0.000 1.000 519 T CA -0.715 61.290 62.100 -0.158 0.000 1.042 519 T CB 1.320 70.231 68.868 0.072 0.000 0.973 519 T HN 0.423 nan 8.240 nan 0.000 0.465 520 K N 2.867 123.118 120.400 -0.249 0.000 2.604 520 K HA 0.458 4.778 4.320 -0.000 0.000 0.247 520 K C -0.967 175.622 176.600 -0.019 0.000 0.956 520 K CA -0.433 55.762 56.287 -0.154 0.000 0.896 520 K CB 1.185 33.641 32.500 -0.073 0.000 1.131 520 K HN 0.531 nan 8.250 nan 0.000 0.440 521 I N 4.155 124.664 120.570 -0.103 0.000 2.331 521 I HA 0.334 4.504 4.170 -0.000 0.000 0.292 521 I C -0.398 175.634 176.117 -0.142 0.000 0.998 521 I CA -0.501 60.763 61.300 -0.061 0.000 1.267 521 I CB 0.495 38.452 38.000 -0.073 0.000 1.386 521 I HN 0.336 nan 8.210 nan 0.000 0.476 522 F N 4.024 124.013 119.950 0.065 0.000 2.594 522 F HA 0.440 4.966 4.527 -0.000 0.000 0.335 522 F C 0.612 176.528 175.800 0.193 0.000 1.058 522 F CA -0.704 57.371 58.000 0.126 0.000 0.981 522 F CB 1.032 40.097 39.000 0.108 0.000 1.289 522 F HN 0.393 nan 8.300 nan 0.000 0.490 523 N N -0.349 118.598 118.700 0.413 0.000 2.458 523 N HA 0.115 4.855 4.740 -0.000 0.000 0.271 523 N C 0.757 176.486 175.510 0.365 0.000 1.210 523 N CA 0.251 53.485 53.050 0.307 0.000 0.978 523 N CB 1.573 40.170 38.487 0.185 0.000 1.206 523 N HN 0.615 nan 8.380 nan 0.000 0.536 524 S N 0.088 115.965 115.700 0.296 0.000 2.522 524 S HA 0.071 4.541 4.470 -0.000 0.000 0.227 524 S C 0.763 175.466 174.600 0.171 0.000 0.986 524 S CA 0.701 59.093 58.200 0.319 0.000 0.929 524 S CB 0.082 63.412 63.200 0.217 0.000 0.769 524 S HN 0.400 nan 8.310 nan 0.000 0.529 525 K N 0.616 121.088 120.400 0.120 0.000 2.372 525 K HA 0.344 4.663 4.320 -0.000 0.000 0.200 525 K C 1.355 177.980 176.600 0.042 0.000 1.022 525 K CA 0.494 56.819 56.287 0.062 0.000 1.125 525 K CB 0.089 32.615 32.500 0.044 0.000 0.855 525 K HN 0.510 nan 8.250 nan 0.000 0.524 526 G N 2.375 111.206 108.800 0.051 0.000 2.205 526 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.261 526 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.261 526 G C 0.051 175.122 174.900 0.286 0.000 0.980 526 G CA 0.669 45.789 45.100 0.034 0.000 0.632 526 G HN 0.510 nan 8.290 nan 0.000 0.533 527 E N 0.516 120.855 120.200 0.232 0.000 2.373 527 E HA 0.505 4.855 4.350 -0.000 0.000 0.263 527 E C 0.068 176.772 176.600 0.174 0.000 1.073 527 E CA -0.975 55.552 56.400 0.211 0.000 0.894 527 E CB 1.363 31.071 29.700 0.013 0.000 1.008 527 E HN 0.369 nan 8.360 nan 0.000 0.420 528 L N 4.361 125.581 121.223 -0.004 0.000 2.456 528 L HA -0.007 4.333 4.340 -0.000 0.000 0.277 528 L C 0.453 177.215 176.870 -0.180 0.000 1.124 528 L CA 0.215 54.844 54.840 -0.350 0.000 0.880 528 L CB 0.996 42.892 42.059 -0.272 0.000 1.192 528 L HN 0.651 nan 8.230 nan 0.000 0.463 529 V N 4.630 124.433 119.914 -0.184 0.000 2.256 529 V HA 0.199 4.319 4.120 -0.000 0.000 0.240 529 V C 0.974 177.021 176.094 -0.079 0.000 1.036 529 V CA 0.839 63.098 62.300 -0.068 0.000 1.008 529 V CB -0.465 31.371 31.823 0.022 0.000 0.648 529 V HN 0.731 nan 8.190 nan 0.000 0.453 530 R N -1.359 119.086 120.500 -0.091 0.000 2.692 530 R HA 0.408 4.747 4.340 -0.000 0.000 0.269 530 R C -1.670 174.638 176.300 0.013 0.000 1.030 530 R CA -0.652 55.408 56.100 -0.067 0.000 0.882 530 R CB 1.757 32.026 30.300 -0.052 0.000 1.250 530 R HN 0.377 nan 8.270 nan 0.000 0.465 531 Y N -0.723 119.650 120.300 0.121 0.000 2.587 531 Y HA 0.788 5.338 4.550 -0.000 0.000 0.337 531 Y C -1.200 174.895 175.900 0.325 0.000 1.065 531 Y CA -1.416 56.781 58.100 0.162 0.000 1.126 531 Y CB 1.358 40.032 38.460 0.356 0.000 1.279 531 Y HN 0.526 nan 8.280 nan 0.000 0.489 532 Y N 2.800 123.359 120.300 0.431 0.000 2.330 532 Y HA 0.565 5.115 4.550 -0.000 0.000 0.324 532 Y C -2.230 173.967 175.900 0.496 0.000 1.093 532 Y CA -1.555 56.767 58.100 0.370 0.000 1.103 532 Y CB 1.601 40.162 38.460 0.168 0.000 1.183 532 Y HN 0.858 nan 8.280 nan 0.000 0.433 533 L N 6.426 127.737 121.223 0.146 0.000 2.319 533 L HA 0.786 5.125 4.340 -0.000 0.000 0.281 533 L C -1.041 175.628 176.870 -0.335 0.000 1.005 533 L CA 0.055 54.934 54.840 0.066 0.000 0.828 533 L CB 1.401 43.513 42.059 0.087 0.000 1.227 533 L HN 0.678 nan 8.230 nan 0.000 0.415 534 T N 2.075 116.423 114.554 -0.343 0.000 2.912 534 T HA 0.440 4.790 4.350 -0.000 0.000 0.299 534 T C -0.689 173.771 174.700 -0.401 0.000 1.052 534 T CA -0.617 61.179 62.100 -0.506 0.000 0.996 534 T CB 1.710 70.099 68.868 -0.799 0.000 1.070 534 T HN 0.473 nan 8.240 nan 0.000 0.465 535 S N 1.053 116.526 115.700 -0.377 0.000 2.508 535 S HA 0.681 5.151 4.470 -0.000 0.000 0.284 535 S C -1.430 172.970 174.600 -0.334 0.000 1.192 535 S CA -0.553 57.513 58.200 -0.224 0.000 1.070 535 S CB 0.211 63.328 63.200 -0.139 0.000 1.004 535 S HN 0.541 nan 8.310 nan 0.000 0.493 536 Y N 3.219 123.519 120.300 -0.001 0.000 2.429 536 Y HA 0.446 4.996 4.550 -0.000 0.000 0.342 536 Y C -1.883 173.944 175.900 -0.121 0.000 1.004 536 Y CA -1.931 56.174 58.100 0.009 0.000 1.075 536 Y CB 1.494 40.021 38.460 0.111 0.000 1.214 536 Y HN 0.549 nan 8.280 nan 0.000 0.455 537 P HA 0.160 nan 4.420 nan 0.000 0.296 537 P C -1.214 175.729 177.300 -0.596 0.000 1.295 537 P CA -0.484 62.368 63.100 -0.413 0.000 0.754 537 P CB 0.479 31.841 31.700 -0.563 0.000 1.311 538 A N 0.514 123.007 122.820 -0.545 0.000 2.478 538 A HA 0.605 4.925 4.320 -0.000 0.000 0.327 538 A C -1.042 176.374 177.584 -0.279 0.000 1.431 538 A CA -0.132 51.701 52.037 -0.340 0.000 1.014 538 A CB -1.219 17.691 19.000 -0.150 0.000 1.143 538 A HN 0.348 nan 8.150 nan 0.000 0.532 539 F N -0.147 119.815 119.950 0.021 0.000 2.608 539 F HA 0.698 5.224 4.527 -0.000 0.000 0.309 539 F C 0.819 176.617 175.800 -0.003 0.000 1.103 539 F CA -1.350 56.656 58.000 0.011 0.000 0.954 539 F CB 0.427 39.436 39.000 0.015 0.000 1.267 539 F HN 0.432 nan 8.300 nan 0.000 0.444 540 G N 0.945 109.877 108.800 0.220 0.000 2.941 540 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.206 540 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.206 540 G C 0.846 175.788 174.900 0.070 0.000 1.403 540 G CA 1.173 46.338 45.100 0.108 0.000 0.805 540 G HN 0.788 nan 8.290 nan 0.000 0.689 541 E N 0.194 120.404 120.200 0.017 0.000 2.230 541 E HA 0.028 4.377 4.350 -0.000 0.000 0.192 541 E C 2.459 179.010 176.600 -0.081 0.000 0.987 541 E CA 0.217 56.603 56.400 -0.023 0.000 0.841 541 E CB 0.076 29.757 29.700 -0.032 0.000 0.783 541 E HN 0.386 nan 8.360 nan 0.000 0.481 542 K N 0.767 121.065 120.400 -0.170 0.000 2.360 542 K HA -0.099 4.221 4.320 -0.000 0.000 0.201 542 K C 1.954 178.283 176.600 -0.452 0.000 1.046 542 K CA 0.514 56.544 56.287 -0.429 0.000 0.940 542 K CB 0.054 32.048 32.500 -0.844 0.000 0.748 542 K HN 0.157 nan 8.250 nan 0.000 0.465 543 L N 0.560 121.725 121.223 -0.098 0.000 1.950 543 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 543 L C 2.221 178.994 176.870 -0.162 0.000 1.079 543 L CA 1.651 56.521 54.840 0.051 0.000 0.754 543 L CB -0.719 41.437 42.059 0.162 0.000 0.889 543 L HN 0.205 nan 8.230 nan 0.000 0.433 544 T N -0.644 113.854 114.554 -0.094 0.000 2.653 544 T HA -0.245 4.105 4.350 -0.000 0.000 0.268 544 T C 1.703 176.321 174.700 -0.136 0.000 1.035 544 T CA 1.602 63.647 62.100 -0.092 0.000 1.154 544 T CB -0.300 68.549 68.868 -0.031 0.000 0.862 544 T HN 0.323 nan 8.240 nan 0.000 0.441 545 E N 0.809 120.943 120.200 -0.110 0.000 2.051 545 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 545 E C 2.299 178.811 176.600 -0.147 0.000 0.991 545 E CA 1.091 57.457 56.400 -0.057 0.000 0.799 545 E CB -0.196 29.497 29.700 -0.012 0.000 0.748 545 E HN 0.451 nan 8.360 nan 0.000 0.449 546 K N 0.496 120.763 120.400 -0.221 0.000 2.025 546 K HA -0.067 4.253 4.320 -0.000 0.000 0.207 546 K C 2.153 178.599 176.600 -0.257 0.000 1.049 546 K CA 1.086 57.242 56.287 -0.217 0.000 0.933 546 K CB -0.134 32.240 32.500 -0.210 0.000 0.714 546 K HN 0.055 nan 8.250 nan 0.000 0.438 547 A N 0.956 123.493 122.820 -0.472 0.000 1.917 547 A HA -0.202 4.117 4.320 -0.000 0.000 0.219 547 A C 2.051 179.560 177.584 -0.124 0.000 1.182 547 A CA 1.803 53.625 52.037 -0.358 0.000 0.633 547 A CB -0.642 18.141 19.000 -0.362 0.000 0.819 547 A HN 0.343 nan 8.150 nan 0.000 0.448 548 I N -0.999 119.428 120.570 -0.239 0.000 2.716 548 I HA -0.018 4.152 4.170 -0.000 0.000 0.259 548 I C 2.485 178.390 176.117 -0.354 0.000 1.172 548 I CA 0.706 61.816 61.300 -0.317 0.000 1.478 548 I CB -0.235 37.423 38.000 -0.571 0.000 1.104 548 I HN 0.370 nan 8.210 nan 0.000 0.439 549 G N 0.352 108.797 108.800 -0.592 0.000 2.430 549 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 549 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 549 G C 1.097 175.838 174.900 -0.265 0.000 1.146 549 G CA 0.582 45.145 45.100 -0.894 0.000 0.793 549 G HN 0.276 nan 8.290 nan 0.000 0.537 550 D N 0.064 120.397 120.400 -0.110 0.000 2.117 550 D HA -0.082 4.558 4.640 -0.000 0.000 0.197 550 D C 2.669 178.931 176.300 -0.064 0.000 0.987 550 D CA 0.716 54.721 54.000 0.009 0.000 0.829 550 D CB -0.037 40.905 40.800 0.238 0.000 0.961 550 D HN 0.136 nan 8.370 nan 0.000 0.460 551 V N 0.136 120.021 119.914 -0.047 0.000 2.332 551 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 551 V C 1.826 177.759 176.094 -0.268 0.000 1.055 551 V CA 1.452 63.678 62.300 -0.122 0.000 1.038 551 V CB -0.484 31.274 31.823 -0.108 0.000 0.651 551 V HN 0.197 nan 8.190 nan 0.000 0.450 552 F N 1.019 120.772 119.950 -0.327 0.000 2.163 552 F HA -0.147 4.380 4.527 -0.000 0.000 0.297 552 F C 2.781 178.294 175.800 -0.478 0.000 1.094 552 F CA 1.609 59.317 58.000 -0.487 0.000 1.290 552 F CB -0.611 37.950 39.000 -0.731 0.000 1.017 552 F HN 0.254 nan 8.300 nan 0.000 0.483 553 S N -0.025 115.642 115.700 -0.055 0.000 2.423 553 S HA -0.164 4.306 4.470 -0.000 0.000 0.231 553 S C 1.931 176.534 174.600 0.005 0.000 1.014 553 S CA 0.971 59.225 58.200 0.090 0.000 0.965 553 S CB -0.815 62.465 63.200 0.133 0.000 0.785 553 S HN 0.301 nan 8.310 nan 0.000 0.495 554 L N 1.241 122.400 121.223 -0.107 0.000 2.093 554 L HA 0.257 4.597 4.340 -0.000 0.000 0.208 554 L C 2.199 179.042 176.870 -0.046 0.000 1.085 554 L CA 1.377 56.134 54.840 -0.138 0.000 0.755 554 L CB -0.698 41.207 42.059 -0.256 0.000 0.904 554 L HN 0.331 nan 8.230 nan 0.000 0.435 555 L N -0.639 120.536 121.223 -0.079 0.000 2.083 555 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 555 L C 2.587 179.612 176.870 0.257 0.000 1.083 555 L CA 1.475 56.317 54.840 0.003 0.000 0.752 555 L CB -0.523 41.330 42.059 -0.344 0.000 0.899 555 L HN 0.421 nan 8.230 nan 0.000 0.433 556 E N 0.598 120.931 120.200 0.223 0.000 2.072 556 E HA -0.232 4.117 4.350 -0.000 0.000 0.191 556 E C 2.051 178.769 176.600 0.196 0.000 0.985 556 E CA 1.083 57.672 56.400 0.314 0.000 0.801 556 E CB 0.152 30.088 29.700 0.394 0.000 0.750 556 E HN 0.400 nan 8.360 nan 0.000 0.452 557 K N 0.065 120.539 120.400 0.123 0.000 2.280 557 K HA -0.065 4.255 4.320 -0.000 0.000 0.202 557 K C 1.666 178.292 176.600 0.043 0.000 1.047 557 K CA 0.642 56.967 56.287 0.064 0.000 0.942 557 K CB 0.037 32.547 32.500 0.017 0.000 0.739 557 K HN 0.197 nan 8.250 nan 0.000 0.457 558 L N 0.133 121.400 121.223 0.074 0.000 2.653 558 L HA 0.156 4.496 4.340 -0.000 0.000 0.232 558 L C 0.579 177.368 176.870 -0.134 0.000 1.169 558 L CA -0.172 54.678 54.840 0.018 0.000 0.951 558 L CB 0.188 42.320 42.059 0.121 0.000 1.181 558 L HN 0.313 nan 8.230 nan 0.000 0.460 559 G N 0.110 108.879 108.800 -0.052 0.000 2.246 559 G HA2 -0.322 3.637 3.960 -0.000 0.000 0.273 559 G HA3 -0.322 3.637 3.960 -0.000 0.000 0.273 559 G C -0.081 174.694 174.900 -0.207 0.000 1.055 559 G CA -0.257 44.776 45.100 -0.112 0.000 0.851 559 G HN 0.244 nan 8.290 nan 0.000 0.500 560 F N 1.058 121.051 119.950 0.071 0.000 2.390 560 F HA 0.428 4.954 4.527 -0.000 0.000 0.361 560 F C 1.157 177.104 175.800 0.244 0.000 1.124 560 F CA -0.538 57.506 58.000 0.074 0.000 1.149 560 F CB 0.926 39.868 39.000 -0.096 0.000 1.160 560 F HN 0.018 nan 8.300 nan 0.000 0.501 561 K N 2.388 122.979 120.400 0.317 0.000 2.219 561 K HA 0.123 4.443 4.320 -0.000 0.000 0.258 561 K C 0.034 176.863 176.600 0.380 0.000 1.008 561 K CA -0.831 55.623 56.287 0.277 0.000 0.928 561 K CB 0.574 33.167 32.500 0.155 0.000 0.983 561 K HN 0.425 nan 8.250 nan 0.000 0.484 562 K N 0.903 121.460 120.400 0.262 0.000 2.453 562 K HA -0.029 4.291 4.320 -0.000 0.000 0.280 562 K C 0.333 177.064 176.600 0.217 0.000 1.045 562 K CA 0.966 57.378 56.287 0.208 0.000 1.059 562 K CB -0.301 32.259 32.500 0.100 0.000 0.901 562 K HN 0.814 nan 8.250 nan 0.000 0.475 563 G N 2.597 111.563 108.800 0.277 0.000 2.135 563 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.183 563 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.183 563 G C -0.292 174.730 174.900 0.204 0.000 1.004 563 G CA 0.106 45.333 45.100 0.211 0.000 0.677 563 G HN 0.765 nan 8.290 nan 0.000 0.512 564 S N -0.577 115.287 115.700 0.274 0.000 2.525 564 S HA 0.700 5.169 4.470 -0.000 0.000 0.278 564 S C -0.028 174.597 174.600 0.041 0.000 1.234 564 S CA -0.604 57.687 58.200 0.151 0.000 1.058 564 S CB 2.423 65.742 63.200 0.197 0.000 0.983 564 S HN 0.561 nan 8.310 nan 0.000 0.495 565 K N 2.457 122.843 120.400 -0.023 0.000 2.349 565 K HA 0.418 4.738 4.320 -0.000 0.000 0.288 565 K C -1.200 175.257 176.600 -0.237 0.000 1.058 565 K CA -0.105 56.130 56.287 -0.086 0.000 0.953 565 K CB -0.105 32.349 32.500 -0.077 0.000 0.997 565 K HN 0.746 nan 8.250 nan 0.000 0.477 566 I N 5.270 125.699 120.570 -0.234 0.000 2.410 566 I HA 0.227 4.397 4.170 -0.000 0.000 0.286 566 I C -0.925 175.020 176.117 -0.287 0.000 1.009 566 I CA -1.223 59.858 61.300 -0.364 0.000 1.111 566 I CB 1.970 39.693 38.000 -0.460 0.000 1.262 566 I HN 0.259 nan 8.210 nan 0.000 0.443 567 V N 7.473 127.141 119.914 -0.410 0.000 2.383 567 V HA 0.349 4.469 4.120 -0.000 0.000 0.275 567 V C 0.044 176.000 176.094 -0.230 0.000 1.036 567 V CA -0.575 61.557 62.300 -0.280 0.000 0.889 567 V CB 1.675 33.302 31.823 -0.327 0.000 0.985 567 V HN 0.367 nan 8.190 nan 0.000 0.459 568 V N 5.153 124.994 119.914 -0.121 0.000 2.459 568 V HA 0.454 4.574 4.120 -0.000 0.000 0.295 568 V C -0.354 175.787 176.094 0.078 0.000 1.029 568 V CA -0.643 61.584 62.300 -0.121 0.000 0.874 568 V CB 1.459 33.102 31.823 -0.300 0.000 0.985 568 V HN 0.878 nan 8.190 nan 0.000 0.438 569 H N 3.659 122.693 119.070 -0.059 0.000 2.481 569 H HA 0.591 5.147 4.556 -0.000 0.000 0.333 569 H C -0.402 174.905 175.328 -0.036 0.000 1.066 569 H CA -0.961 55.063 56.048 -0.040 0.000 1.209 569 H CB 2.011 31.765 29.762 -0.013 0.000 1.445 569 H HN 0.437 nan 8.280 nan 0.000 0.488 570 R N 2.353 122.895 120.500 0.069 0.000 2.338 570 R HA 0.040 4.380 4.340 -0.000 0.000 0.317 570 R C 0.699 177.017 176.300 0.029 0.000 0.968 570 R CA -0.424 55.703 56.100 0.045 0.000 0.849 570 R CB 0.541 30.848 30.300 0.011 0.000 1.128 570 R HN 0.731 nan 8.270 nan 0.000 0.448 571 D N 2.188 122.614 120.400 0.043 0.000 2.178 571 D HA -0.078 4.562 4.640 -0.000 0.000 0.201 571 D C 0.313 176.615 176.300 0.003 0.000 0.980 571 D CA 1.411 55.426 54.000 0.024 0.000 0.842 571 D CB 0.448 41.268 40.800 0.033 0.000 0.948 571 D HN 0.638 nan 8.370 nan 0.000 0.472 572 G N -0.556 108.246 108.800 0.003 0.000 3.008 572 G HA2 0.430 4.390 3.960 -0.000 0.000 0.181 572 G HA3 0.430 4.390 3.960 -0.000 0.000 0.181 572 G C -0.392 174.452 174.900 -0.093 0.000 1.309 572 G CA -0.609 44.469 45.100 -0.037 0.000 1.009 572 G HN -0.009 nan 8.290 nan 0.000 0.584 573 R N -0.042 120.342 120.500 -0.193 0.000 2.254 573 R HA 0.287 4.627 4.340 -0.000 0.000 0.318 573 R C -0.473 175.595 176.300 -0.386 0.000 1.031 573 R CA -0.392 55.554 56.100 -0.258 0.000 0.905 573 R CB 1.198 31.328 30.300 -0.283 0.000 1.050 573 R HN 0.251 nan 8.270 nan 0.000 0.456 574 L N 5.027 126.131 121.223 -0.199 0.000 2.456 574 L HA 0.083 4.422 4.340 -0.000 0.000 0.277 574 L C -0.340 176.466 176.870 -0.106 0.000 1.124 574 L CA 0.079 54.867 54.840 -0.086 0.000 0.880 574 L CB -0.020 42.034 42.059 -0.008 0.000 1.192 574 L HN 0.447 nan 8.230 nan 0.000 0.463 575 Y N 3.129 123.485 120.300 0.093 0.000 2.397 575 Y HA 0.029 4.579 4.550 -0.000 0.000 0.335 575 Y C 1.499 177.452 175.900 0.087 0.000 1.213 575 Y CA -0.136 58.013 58.100 0.081 0.000 1.391 575 Y CB 0.344 38.850 38.460 0.077 0.000 1.293 575 Y HN 0.515 nan 8.280 nan 0.000 0.557 576 R N 1.472 122.103 120.500 0.218 0.000 2.174 576 R HA -0.273 4.066 4.340 -0.000 0.000 0.253 576 R C 0.498 176.882 176.300 0.141 0.000 1.165 576 R CA 2.548 58.736 56.100 0.146 0.000 0.984 576 R CB -0.270 30.101 30.300 0.119 0.000 0.873 576 R HN 0.913 nan 8.270 nan 0.000 0.456 577 D N -0.281 120.214 120.400 0.159 0.000 2.117 577 D HA -0.133 4.507 4.640 -0.000 0.000 0.198 577 D C 1.798 178.180 176.300 0.136 0.000 0.982 577 D CA 1.486 55.555 54.000 0.116 0.000 0.828 577 D CB -0.053 40.800 40.800 0.088 0.000 0.967 577 D HN 0.484 nan 8.370 nan 0.000 0.464 578 E N 0.473 120.803 120.200 0.217 0.000 2.046 578 E HA -0.096 4.254 4.350 -0.000 0.000 0.190 578 E C 2.289 179.150 176.600 0.436 0.000 0.982 578 E CA 0.674 57.251 56.400 0.294 0.000 0.800 578 E CB -0.047 29.896 29.700 0.405 0.000 0.756 578 E HN 0.092 nan 8.360 nan 0.000 0.449 579 V N 1.958 122.063 119.914 0.319 0.000 2.324 579 V HA -0.336 3.784 4.120 -0.000 0.000 0.250 579 V C 2.396 178.595 176.094 0.174 0.000 1.060 579 V CA 1.985 64.422 62.300 0.229 0.000 1.042 579 V CB -0.948 30.940 31.823 0.108 0.000 0.650 579 V HN 0.325 nan 8.190 nan 0.000 0.450 580 A N 0.223 123.117 122.820 0.123 0.000 1.845 580 A HA -0.117 4.203 4.320 -0.000 0.000 0.215 580 A C 2.502 180.109 177.584 0.038 0.000 1.195 580 A CA 2.303 54.369 52.037 0.048 0.000 0.616 580 A CB -1.120 17.901 19.000 0.034 0.000 0.832 580 A HN 0.610 nan 8.150 nan 0.000 0.443 581 A N -1.163 121.691 122.820 0.056 0.000 1.927 581 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 581 A C 2.032 179.642 177.584 0.044 0.000 1.185 581 A CA 1.814 53.872 52.037 0.035 0.000 0.639 581 A CB -0.874 18.110 19.000 -0.027 0.000 0.820 581 A HN 0.512 nan 8.150 nan 0.000 0.451 582 F N -0.031 119.980 119.950 0.103 0.000 2.051 582 F HA -0.162 4.365 4.527 -0.000 0.000 0.296 582 F C 2.436 178.227 175.800 -0.016 0.000 1.122 582 F CA 2.026 60.106 58.000 0.134 0.000 1.201 582 F CB -0.247 38.846 39.000 0.154 0.000 0.978 582 F HN 0.096 nan 8.300 nan 0.000 0.472 583 K N 0.258 120.708 120.400 0.084 0.000 2.113 583 K HA -0.228 4.091 4.320 -0.000 0.000 0.208 583 K C 1.855 178.400 176.600 -0.092 0.000 1.047 583 K CA 1.782 57.998 56.287 -0.118 0.000 0.928 583 K CB -0.253 32.102 32.500 -0.242 0.000 0.716 583 K HN 0.265 nan 8.250 nan 0.000 0.446 584 K N -0.505 119.816 120.400 -0.132 0.000 2.167 584 K HA -0.066 4.254 4.320 -0.000 0.000 0.203 584 K C 1.742 178.133 176.600 -0.348 0.000 1.052 584 K CA 1.041 57.185 56.287 -0.238 0.000 0.956 584 K CB 0.026 32.346 32.500 -0.301 0.000 0.735 584 K HN 0.163 nan 8.250 nan 0.000 0.451 585 Y N -0.130 119.948 120.300 -0.371 0.000 2.519 585 Y HA 0.008 4.557 4.550 -0.000 0.000 0.287 585 Y C 2.251 177.801 175.900 -0.584 0.000 1.128 585 Y CA 0.468 58.181 58.100 -0.644 0.000 1.282 585 Y CB 0.278 37.935 38.460 -1.340 0.000 1.027 585 Y HN 0.129 nan 8.280 nan 0.000 0.551 586 G N -0.398 108.331 108.800 -0.117 0.000 2.408 586 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.215 586 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.215 586 G C 1.376 176.344 174.900 0.114 0.000 1.156 586 G CA 0.485 45.719 45.100 0.223 0.000 0.793 586 G HN 0.326 nan 8.290 nan 0.000 0.535 587 E N -0.229 119.977 120.200 0.010 0.000 2.047 587 E HA 0.032 4.382 4.350 -0.000 0.000 0.191 587 E C 2.472 179.035 176.600 -0.062 0.000 0.987 587 E CA 0.330 56.719 56.400 -0.018 0.000 0.799 587 E CB -0.128 29.539 29.700 -0.056 0.000 0.752 587 E HN 0.308 nan 8.360 nan 0.000 0.449 588 L N -0.394 120.760 121.223 -0.115 0.000 2.046 588 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 588 L C 1.620 178.355 176.870 -0.226 0.000 1.077 588 L CA 1.295 56.022 54.840 -0.188 0.000 0.747 588 L CB -0.051 41.848 42.059 -0.267 0.000 0.896 588 L HN 0.225 nan 8.230 nan 0.000 0.432 589 Y N -0.780 119.382 120.300 -0.230 0.000 2.457 589 Y HA 0.281 4.831 4.550 -0.000 0.000 0.263 589 Y C 1.570 177.169 175.900 -0.502 0.000 1.164 589 Y CA 0.266 58.128 58.100 -0.396 0.000 1.274 589 Y CB 0.124 38.202 38.460 -0.637 0.000 1.097 589 Y HN 0.171 nan 8.280 nan 0.000 0.523 590 G N 0.136 108.858 108.800 -0.130 0.000 2.272 590 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.280 590 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.280 590 G C -0.682 174.262 174.900 0.073 0.000 1.067 590 G CA -0.243 44.839 45.100 -0.030 0.000 0.902 590 G HN 0.208 nan 8.290 nan 0.000 0.500 591 Y N -0.256 120.183 120.300 0.231 0.000 2.419 591 Y HA 0.695 5.244 4.550 -0.000 0.000 0.328 591 Y C 0.824 176.825 175.900 0.168 0.000 1.162 591 Y CA -1.734 56.483 58.100 0.196 0.000 1.174 591 Y CB 1.931 40.529 38.460 0.230 0.000 1.228 591 Y HN 0.153 nan 8.280 nan 0.000 0.473 592 S N 3.033 118.910 115.700 0.295 0.000 2.409 592 S HA 0.433 4.902 4.470 -0.000 0.000 0.308 592 S C -0.773 173.928 174.600 0.168 0.000 1.080 592 S CA -0.500 57.816 58.200 0.193 0.000 1.081 592 S CB -0.720 62.546 63.200 0.111 0.000 1.009 592 S HN 0.455 nan 8.310 nan 0.000 0.502 593 L N 4.979 126.358 121.223 0.260 0.000 2.350 593 L HA 0.532 4.872 4.340 -0.000 0.000 0.275 593 L C 0.075 177.080 176.870 0.224 0.000 1.099 593 L CA 0.374 55.367 54.840 0.255 0.000 0.808 593 L CB 1.149 43.429 42.059 0.367 0.000 1.149 593 L HN 0.554 nan 8.230 nan 0.000 0.442 594 E N 5.259 125.520 120.200 0.102 0.000 2.244 594 E HA 0.388 4.738 4.350 -0.000 0.000 0.260 594 E C -1.297 175.315 176.600 0.020 0.000 0.884 594 E CA -0.353 56.080 56.400 0.054 0.000 0.777 594 E CB 2.020 31.711 29.700 -0.015 0.000 1.197 594 E HN 0.417 nan 8.360 nan 0.000 0.416 595 L N 3.961 125.213 121.223 0.048 0.000 2.287 595 L HA 0.533 4.872 4.340 -0.000 0.000 0.287 595 L C -0.290 176.563 176.870 -0.028 0.000 1.022 595 L CA -0.602 54.202 54.840 -0.060 0.000 0.814 595 L CB 0.846 42.847 42.059 -0.098 0.000 1.217 595 L HN 0.270 nan 8.230 nan 0.000 0.420 596 L N 3.065 124.265 121.223 -0.037 0.000 2.365 596 L HA 0.537 4.876 4.340 -0.000 0.000 0.273 596 L C -0.324 176.510 176.870 -0.060 0.000 1.000 596 L CA -0.659 54.155 54.840 -0.043 0.000 0.819 596 L CB 2.530 44.549 42.059 -0.068 0.000 1.284 596 L HN 0.577 nan 8.230 nan 0.000 0.418 597 E N 2.699 122.860 120.200 -0.065 0.000 2.204 597 E HA 0.541 4.890 4.350 -0.000 0.000 0.276 597 E C -1.009 175.545 176.600 -0.077 0.000 0.974 597 E CA -0.536 55.826 56.400 -0.063 0.000 0.815 597 E CB 2.510 32.175 29.700 -0.060 0.000 1.119 597 E HN 0.416 nan 8.360 nan 0.000 0.393 598 I N 4.542 125.071 120.570 -0.069 0.000 2.464 598 I HA 0.229 4.399 4.170 -0.000 0.000 0.277 598 I C -0.944 175.143 176.117 -0.050 0.000 1.040 598 I CA -0.610 60.645 61.300 -0.075 0.000 1.153 598 I CB 0.853 38.797 38.000 -0.093 0.000 1.274 598 I HN 0.336 nan 8.210 nan 0.000 0.469 599 I N 7.818 128.361 120.570 -0.046 0.000 2.301 599 I HA 0.139 4.309 4.170 -0.000 0.000 0.292 599 I C 1.498 177.598 176.117 -0.029 0.000 1.046 599 I CA -0.032 61.246 61.300 -0.036 0.000 1.282 599 I CB 0.780 38.759 38.000 -0.035 0.000 1.409 599 I HN 0.470 nan 8.210 nan 0.000 0.484 600 K N 5.556 125.941 120.400 -0.024 0.000 2.284 600 K HA 0.185 4.504 4.320 -0.000 0.000 0.198 600 K C 0.754 177.343 176.600 -0.017 0.000 1.048 600 K CA 0.302 56.578 56.287 -0.019 0.000 0.987 600 K CB 0.281 32.772 32.500 -0.016 0.000 0.800 600 K HN 0.337 nan 8.250 nan 0.000 0.486 601 R N 1.695 122.185 120.500 -0.017 0.000 2.404 601 R HA 0.164 4.503 4.340 -0.000 0.000 0.291 601 R C -0.374 175.925 176.300 -0.002 0.000 1.025 601 R CA -0.299 55.794 56.100 -0.012 0.000 0.991 601 R CB 0.595 30.887 30.300 -0.015 0.000 1.053 601 R HN 0.207 nan 8.270 nan 0.000 0.479 602 N N 1.442 120.147 118.700 0.009 0.000 2.735 602 N HA -0.211 4.529 4.740 -0.000 0.000 0.248 602 N C -1.123 174.445 175.510 0.096 0.000 1.083 602 N CA 0.849 53.926 53.050 0.045 0.000 0.703 602 N CB -1.234 37.272 38.487 0.031 0.000 1.005 602 N HN 0.599 nan 8.380 nan 0.000 0.550 603 N N 0.588 119.295 118.700 0.013 0.000 2.476 603 N HA 0.429 5.169 4.740 -0.000 0.000 0.275 603 N C -2.385 172.994 175.510 -0.219 0.000 1.190 603 N CA -1.177 51.818 53.050 -0.092 0.000 0.977 603 N CB 0.553 38.976 38.487 -0.106 0.000 1.200 603 N HN -0.028 nan 8.380 nan 0.000 0.515 604 P HA 0.201 nan 4.420 nan 0.000 0.276 604 P C 0.028 177.016 177.300 -0.520 0.000 1.243 604 P CA 0.084 62.826 63.100 -0.597 0.000 0.768 604 P CB 0.807 32.071 31.700 -0.726 0.000 0.856 605 R N 2.370 122.598 120.500 -0.452 0.000 2.649 605 R HA 0.433 4.773 4.340 -0.000 0.000 0.270 605 R C -0.224 175.541 176.300 -0.892 0.000 1.105 605 R CA -0.288 55.455 56.100 -0.596 0.000 1.193 605 R CB 0.419 30.381 30.300 -0.563 0.000 1.120 605 R HN 0.403 nan 8.270 nan 0.000 0.561 606 F N 1.044 120.631 119.950 -0.604 0.000 2.444 606 F HA 0.372 4.899 4.527 -0.000 0.000 0.342 606 F C -0.497 174.937 175.800 -0.610 0.000 1.121 606 F CA -0.590 57.130 58.000 -0.467 0.000 0.997 606 F CB 1.097 39.968 39.000 -0.216 0.000 1.130 606 F HN 0.259 nan 8.300 nan 0.000 0.454 607 F N 2.267 122.327 119.950 0.184 0.000 2.427 607 F HA 0.658 5.185 4.527 -0.000 0.000 0.348 607 F C -0.158 175.692 175.800 0.082 0.000 1.125 607 F CA -0.576 57.482 58.000 0.096 0.000 0.989 607 F CB 1.764 40.804 39.000 0.067 0.000 1.165 607 F HN 0.436 nan 8.300 nan 0.000 0.442 608 S N 1.159 116.969 115.700 0.183 0.000 2.633 608 S HA 0.295 4.765 4.470 -0.000 0.000 0.271 608 S C -0.801 173.823 174.600 0.039 0.000 1.112 608 S CA -1.196 57.067 58.200 0.105 0.000 0.828 608 S CB 1.317 64.566 63.200 0.082 0.000 1.086 608 S HN 0.505 nan 8.310 nan 0.000 0.461 609 N N 0.311 119.031 118.700 0.033 0.000 2.230 609 N HA 0.074 4.814 4.740 -0.000 0.000 0.202 609 N C 1.075 176.580 175.510 -0.007 0.000 1.119 609 N CA 0.236 53.294 53.050 0.014 0.000 0.851 609 N CB 0.320 38.827 38.487 0.033 0.000 0.990 609 N HN 0.747 nan 8.380 nan 0.000 0.497 610 E N 2.175 122.358 120.200 -0.029 0.000 2.118 610 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 610 E C 0.486 177.061 176.600 -0.042 0.000 0.992 610 E CA 1.432 57.813 56.400 -0.031 0.000 0.804 610 E CB 0.058 29.708 29.700 -0.084 0.000 0.741 610 E HN 0.131 nan 8.360 nan 0.000 0.458 611 K N -2.683 117.618 120.400 -0.166 0.000 3.510 611 K HA -0.249 4.071 4.320 -0.000 0.000 0.312 611 K C -0.209 176.112 176.600 -0.464 0.000 1.271 611 K CA 1.245 57.373 56.287 -0.265 0.000 1.002 611 K CB -1.544 30.849 32.500 -0.178 0.000 1.262 611 K HN 0.229 nan 8.250 nan 0.000 0.424 612 F N 0.032 119.812 119.950 -0.284 0.000 2.761 612 F HA 0.327 4.853 4.527 -0.000 0.000 0.367 612 F C 1.113 176.650 175.800 -0.437 0.000 1.386 612 F CA -0.555 57.289 58.000 -0.261 0.000 1.177 612 F CB 0.463 39.377 39.000 -0.144 0.000 1.092 612 F HN -0.093 nan 8.300 nan 0.000 0.517 613 I N -0.101 120.097 120.570 -0.619 0.000 3.001 613 I HA -0.140 4.029 4.170 -0.000 0.000 0.268 613 I C 1.445 177.196 176.117 -0.610 0.000 1.267 613 I CA 0.585 61.208 61.300 -1.128 0.000 1.472 613 I CB -0.212 37.090 38.000 -1.163 0.000 1.089 613 I HN 0.079 nan 8.210 nan 0.000 0.468 614 K N 1.689 121.944 120.400 -0.241 0.000 2.430 614 K HA 0.085 4.404 4.320 -0.000 0.000 0.280 614 K C 0.948 177.653 176.600 0.175 0.000 1.063 614 K CA 1.051 57.333 56.287 -0.008 0.000 1.071 614 K CB -0.034 32.518 32.500 0.086 0.000 0.899 614 K HN 0.360 nan 8.250 nan 0.000 0.473 615 G N 3.218 112.120 108.800 0.170 0.000 2.211 615 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.201 615 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.201 615 G C -0.653 174.457 174.900 0.349 0.000 0.997 615 G CA -0.410 44.845 45.100 0.259 0.000 0.652 615 G HN 0.537 nan 8.290 nan 0.000 0.500 616 Y N 1.019 121.291 120.300 -0.046 0.000 2.511 616 Y HA 0.515 5.065 4.550 -0.000 0.000 0.332 616 Y C 0.762 176.738 175.900 0.128 0.000 1.177 616 Y CA -0.324 57.697 58.100 -0.133 0.000 1.422 616 Y CB 0.038 38.083 38.460 -0.691 0.000 1.271 616 Y HN 0.431 nan 8.280 nan 0.000 0.550 617 F N 1.770 121.775 119.950 0.091 0.000 2.631 617 F HA 0.634 5.161 4.527 -0.000 0.000 0.308 617 F C -2.218 173.745 175.800 0.271 0.000 1.097 617 F CA -1.669 56.495 58.000 0.272 0.000 0.952 617 F CB 1.612 40.682 39.000 0.118 0.000 1.307 617 F HN 0.304 nan 8.300 nan 0.000 0.450 618 Y N 2.506 122.970 120.300 0.274 0.000 2.391 618 Y HA 0.509 5.059 4.550 -0.000 0.000 0.341 618 Y C -1.158 174.822 175.900 0.133 0.000 0.965 618 Y CA -1.041 57.091 58.100 0.053 0.000 1.067 618 Y CB 1.850 40.304 38.460 -0.011 0.000 1.199 618 Y HN 0.853 nan 8.280 nan 0.000 0.450 619 K N 6.421 126.614 120.400 -0.346 0.000 2.206 619 K HA 0.590 4.909 4.320 -0.000 0.000 0.264 619 K C -1.346 175.243 176.600 -0.018 0.000 0.967 619 K CA -0.448 55.811 56.287 -0.046 0.000 0.844 619 K CB 0.909 33.421 32.500 0.020 0.000 1.099 619 K HN 0.809 nan 8.250 nan 0.000 0.441 620 L N 1.348 122.638 121.223 0.112 0.000 2.578 620 L HA 0.320 4.659 4.340 -0.000 0.000 0.259 620 L C 1.775 178.697 176.870 0.086 0.000 1.082 620 L CA -0.547 54.377 54.840 0.141 0.000 0.843 620 L CB 1.252 43.395 42.059 0.140 0.000 1.535 620 L HN 0.868 nan 8.230 nan 0.000 0.510 621 S N -0.407 115.347 115.700 0.090 0.000 2.406 621 S HA -0.153 4.317 4.470 -0.000 0.000 0.211 621 S C 0.814 175.441 174.600 0.044 0.000 1.045 621 S CA 0.728 58.968 58.200 0.066 0.000 1.058 621 S CB -0.661 62.587 63.200 0.080 0.000 1.044 621 S HN 0.590 nan 8.310 nan 0.000 0.413 622 E N 2.131 122.356 120.200 0.042 0.000 2.860 622 E HA 0.159 4.508 4.350 -0.000 0.000 0.318 622 E C -0.885 175.728 176.600 0.023 0.000 1.481 622 E CA 0.057 56.474 56.400 0.030 0.000 1.613 622 E CB -0.871 28.847 29.700 0.031 0.000 1.279 622 E HN 0.305 nan 8.360 nan 0.000 0.489 623 D N 1.210 121.622 120.400 0.021 0.000 2.686 623 D HA -0.155 4.485 4.640 -0.000 0.000 0.235 623 D C -0.904 175.405 176.300 0.015 0.000 1.160 623 D CA 1.106 55.115 54.000 0.014 0.000 0.645 623 D CB -1.106 39.694 40.800 -0.000 0.000 1.039 623 D HN 0.369 nan 8.370 nan 0.000 0.423 624 S N -1.802 113.916 115.700 0.031 0.000 2.501 624 S HA 0.795 5.265 4.470 -0.000 0.000 0.301 624 S C -0.101 174.535 174.600 0.060 0.000 1.096 624 S CA -0.849 57.370 58.200 0.032 0.000 1.063 624 S CB 3.073 66.291 63.200 0.029 0.000 1.042 624 S HN 0.006 nan 8.310 nan 0.000 0.494 625 V N 2.832 122.783 119.914 0.061 0.000 2.686 625 V HA 0.435 4.554 4.120 -0.000 0.000 0.306 625 V C -0.705 175.459 176.094 0.118 0.000 1.065 625 V CA -0.740 61.630 62.300 0.116 0.000 0.894 625 V CB 1.771 33.652 31.823 0.097 0.000 1.004 625 V HN 0.940 nan 8.190 nan 0.000 0.424 626 I N 5.371 126.044 120.570 0.172 0.000 2.312 626 I HA 0.418 4.587 4.170 -0.000 0.000 0.291 626 I C -0.604 175.703 176.117 0.316 0.000 1.031 626 I CA -0.163 61.210 61.300 0.120 0.000 1.293 626 I CB 1.213 39.195 38.000 -0.031 0.000 1.403 626 I HN 0.371 nan 8.210 nan 0.000 0.484 627 L N 6.894 128.291 121.223 0.290 0.000 2.386 627 L HA 0.769 5.109 4.340 -0.000 0.000 0.271 627 L C -0.338 176.770 176.870 0.398 0.000 0.993 627 L CA -0.422 54.630 54.840 0.353 0.000 0.819 627 L CB 1.821 43.970 42.059 0.150 0.000 1.294 627 L HN 0.609 nan 8.230 nan 0.000 0.414 628 A N 2.118 125.151 122.820 0.354 0.000 2.316 628 A HA 0.495 4.815 4.320 -0.000 0.000 0.311 628 A C 0.820 178.485 177.584 0.136 0.000 1.339 628 A CA 0.227 52.412 52.037 0.248 0.000 0.960 628 A CB -0.196 18.740 19.000 -0.107 0.000 1.152 628 A HN 0.888 nan 8.150 nan 0.000 0.547 629 T N -0.444 114.222 114.554 0.185 0.000 3.081 629 T HA 0.262 4.612 4.350 -0.000 0.000 0.255 629 T C 0.223 175.035 174.700 0.187 0.000 1.113 629 T CA 1.004 63.173 62.100 0.116 0.000 1.082 629 T CB -0.688 68.240 68.868 0.100 0.000 0.939 629 T HN 0.907 nan 8.240 nan 0.000 0.506 630 Y N -0.803 119.514 120.300 0.030 0.000 2.581 630 Y HA 0.631 5.181 4.550 -0.000 0.000 0.337 630 Y C -1.168 174.735 175.900 0.005 0.000 1.108 630 Y CA -1.903 56.197 58.100 0.000 0.000 1.033 630 Y CB 0.784 39.235 38.460 -0.014 0.000 1.318 630 Y HN -0.264 nan 8.280 nan 0.000 0.459 631 N N 2.184 120.807 118.700 -0.128 0.000 2.482 631 N HA 0.067 4.807 4.740 -0.000 0.000 0.260 631 N C -1.008 174.258 175.510 -0.407 0.000 1.236 631 N CA -0.372 52.453 53.050 -0.376 0.000 0.938 631 N CB 0.880 39.078 38.487 -0.481 0.000 1.128 631 N HN 0.716 nan 8.380 nan 0.000 0.448 632 Q N 1.182 120.690 119.800 -0.486 0.000 2.300 632 Q HA 0.099 4.438 4.340 -0.000 0.000 0.262 632 Q C 0.635 176.482 176.000 -0.256 0.000 1.109 632 Q CA -0.193 55.408 55.803 -0.338 0.000 0.905 632 Q CB 0.712 29.254 28.738 -0.328 0.000 1.280 632 Q HN 0.404 nan 8.270 nan 0.000 0.426 633 V N 2.967 122.783 119.914 -0.164 0.000 2.484 633 V HA -0.016 4.104 4.120 -0.000 0.000 0.236 633 V C 0.237 176.167 176.094 -0.273 0.000 1.062 633 V CA 0.750 62.891 62.300 -0.265 0.000 1.081 633 V CB -0.037 31.593 31.823 -0.321 0.000 0.751 633 V HN 0.598 nan 8.190 nan 0.000 0.484 634 Y N 0.649 120.969 120.300 0.034 0.000 2.352 634 Y HA 0.357 4.906 4.550 -0.000 0.000 0.326 634 Y C 0.669 176.590 175.900 0.036 0.000 1.166 634 Y CA -0.830 57.290 58.100 0.033 0.000 1.182 634 Y CB 0.497 38.981 38.460 0.041 0.000 1.216 634 Y HN 0.224 nan 8.280 nan 0.000 0.474 635 E N 1.215 121.541 120.200 0.210 0.000 2.417 635 E HA 0.123 4.473 4.350 -0.000 0.000 0.261 635 E C 0.908 177.590 176.600 0.137 0.000 1.000 635 E CA 0.816 57.297 56.400 0.135 0.000 0.919 635 E CB 0.350 30.118 29.700 0.113 0.000 0.955 635 E HN 0.972 nan 8.360 nan 0.000 0.455 636 G N 3.488 112.366 108.800 0.131 0.000 2.196 636 G HA2 -0.340 3.619 3.960 -0.000 0.000 0.268 636 G HA3 -0.340 3.619 3.960 -0.000 0.000 0.268 636 G C 0.645 175.633 174.900 0.147 0.000 0.975 636 G CA 0.682 45.869 45.100 0.145 0.000 0.648 636 G HN 0.536 nan 8.290 nan 0.000 0.538 637 T N 1.153 115.805 114.554 0.164 0.000 3.591 637 T HA 0.353 4.703 4.350 -0.000 0.000 0.232 637 T C -0.166 174.660 174.700 0.210 0.000 1.116 637 T CA 0.043 62.257 62.100 0.189 0.000 1.063 637 T CB -0.043 68.973 68.868 0.246 0.000 1.227 637 T HN 0.471 nan 8.240 nan 0.000 0.685 638 H N 2.382 121.486 119.070 0.057 0.000 2.970 638 H HA 0.227 4.783 4.556 -0.000 0.000 0.315 638 H C -0.749 174.590 175.328 0.019 0.000 0.992 638 H CA -0.545 55.477 56.048 -0.042 0.000 1.363 638 H CB 0.905 30.550 29.762 -0.194 0.000 1.532 638 H HN 0.350 nan 8.280 nan 0.000 0.514 639 Q N 5.924 125.495 119.800 -0.383 0.000 2.394 639 Q HA 0.318 4.658 4.340 -0.000 0.000 0.259 639 Q C -2.698 173.168 176.000 -0.223 0.000 1.021 639 Q CA -1.917 53.777 55.803 -0.182 0.000 0.805 639 Q CB 2.260 30.986 28.738 -0.020 0.000 1.226 639 Q HN 0.444 nan 8.270 nan 0.000 0.476 640 P HA 0.234 nan 4.420 nan 0.000 0.282 640 P C -0.184 177.130 177.300 0.023 0.000 1.249 640 P CA -0.431 62.706 63.100 0.062 0.000 0.806 640 P CB 0.710 32.490 31.700 0.133 0.000 0.984 641 I N -1.036 119.570 120.570 0.061 0.000 2.664 641 I HA 0.555 4.725 4.170 -0.000 0.000 0.308 641 I C -0.174 175.949 176.117 0.011 0.000 0.984 641 I CA -0.854 60.456 61.300 0.016 0.000 1.213 641 I CB 1.560 39.561 38.000 0.002 0.000 1.379 641 I HN 0.132 nan 8.210 nan 0.000 0.501 642 K N 4.483 124.873 120.400 -0.016 0.000 2.394 642 K HA 0.562 4.882 4.320 -0.000 0.000 0.260 642 K C -1.737 174.846 176.600 -0.029 0.000 0.967 642 K CA -0.630 55.648 56.287 -0.016 0.000 0.855 642 K CB 1.708 34.191 32.500 -0.029 0.000 1.101 642 K HN 0.657 nan 8.250 nan 0.000 0.433 643 V N 4.914 124.812 119.914 -0.027 0.000 2.427 643 V HA 0.437 4.557 4.120 -0.000 0.000 0.286 643 V C -0.093 175.978 176.094 -0.037 0.000 1.034 643 V CA -0.726 61.539 62.300 -0.057 0.000 0.893 643 V CB 1.279 33.056 31.823 -0.077 0.000 0.982 643 V HN 0.746 nan 8.190 nan 0.000 0.452 644 R N 3.729 124.203 120.500 -0.044 0.000 2.534 644 R HA 0.442 4.781 4.340 -0.000 0.000 0.301 644 R C -0.542 175.743 176.300 -0.025 0.000 0.961 644 R CA -0.795 55.291 56.100 -0.025 0.000 0.871 644 R CB 1.361 31.649 30.300 -0.020 0.000 1.170 644 R HN 0.699 nan 8.270 nan 0.000 0.446 645 K N 4.432 124.825 120.400 -0.012 0.000 2.250 645 K HA 0.143 4.462 4.320 -0.000 0.000 0.280 645 K C 0.321 176.930 176.600 0.015 0.000 1.098 645 K CA -0.342 55.941 56.287 -0.006 0.000 0.916 645 K CB 1.082 33.573 32.500 -0.014 0.000 1.209 645 K HN 0.456 nan 8.250 nan 0.000 0.461 646 V N 4.263 124.196 119.914 0.032 0.000 2.302 646 V HA -0.081 4.038 4.120 -0.000 0.000 0.243 646 V C 0.251 176.431 176.094 0.145 0.000 1.036 646 V CA 0.806 63.146 62.300 0.067 0.000 1.020 646 V CB -0.417 31.434 31.823 0.047 0.000 0.657 646 V HN 0.681 nan 8.190 nan 0.000 0.453 647 Y N -0.649 119.639 120.300 -0.020 0.000 2.457 647 Y HA 0.703 5.253 4.550 -0.000 0.000 0.343 647 Y C -0.111 175.782 175.900 -0.013 0.000 0.994 647 Y CA -0.226 57.871 58.100 -0.006 0.000 1.031 647 Y CB 1.927 40.389 38.460 0.004 0.000 1.246 647 Y HN 0.179 nan 8.280 nan 0.000 0.449 648 G N 4.216 112.822 108.800 -0.323 0.000 2.402 648 G HA2 0.120 4.080 3.960 -0.000 0.000 0.301 648 G HA3 0.120 4.080 3.960 -0.000 0.000 0.301 648 G C -0.841 173.923 174.900 -0.226 0.000 1.615 648 G CA -0.385 44.588 45.100 -0.211 0.000 0.889 648 G HN 0.674 nan 8.290 nan 0.000 0.647 649 E N 0.568 120.673 120.200 -0.159 0.000 2.307 649 E HA 0.184 4.534 4.350 -0.000 0.000 0.195 649 E C 0.510 177.067 176.600 -0.071 0.000 0.975 649 E CA -0.030 56.300 56.400 -0.117 0.000 0.878 649 E CB 0.124 29.771 29.700 -0.088 0.000 0.845 649 E HN 0.479 nan 8.360 nan 0.000 0.488 650 L N 2.404 123.593 121.223 -0.057 0.000 2.375 650 L HA 0.359 4.699 4.340 -0.000 0.000 0.271 650 L C -2.171 174.678 176.870 -0.035 0.000 1.107 650 L CA -2.176 52.642 54.840 -0.036 0.000 0.806 650 L CB 0.739 42.785 42.059 -0.022 0.000 1.146 650 L HN -0.052 nan 8.230 nan 0.000 0.447 651 P HA 0.032 nan 4.420 nan 0.000 0.274 651 P C 0.830 178.110 177.300 -0.035 0.000 1.231 651 P CA -0.520 62.562 63.100 -0.030 0.000 0.790 651 P CB 0.805 32.488 31.700 -0.027 0.000 0.951 652 V N 0.579 120.471 119.914 -0.037 0.000 2.392 652 V HA -0.266 3.854 4.120 -0.000 0.000 0.249 652 V C 1.677 177.720 176.094 -0.085 0.000 1.059 652 V CA 1.797 64.067 62.300 -0.049 0.000 1.051 652 V CB -1.627 30.173 31.823 -0.038 0.000 0.658 652 V HN 0.429 nan 8.190 nan 0.000 0.455 653 E N 0.818 120.953 120.200 -0.107 0.000 2.118 653 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 653 E C 2.143 178.668 176.600 -0.125 0.000 0.992 653 E CA 1.687 57.978 56.400 -0.182 0.000 0.804 653 E CB -0.490 29.105 29.700 -0.175 0.000 0.741 653 E HN 0.538 nan 8.360 nan 0.000 0.458 654 V N 0.571 120.445 119.914 -0.066 0.000 2.379 654 V HA -0.195 3.924 4.120 -0.000 0.000 0.245 654 V C 2.109 178.202 176.094 -0.003 0.000 1.044 654 V CA 1.356 63.641 62.300 -0.025 0.000 1.036 654 V CB -0.379 31.440 31.823 -0.007 0.000 0.664 654 V HN 0.252 nan 8.190 nan 0.000 0.453 655 L N -0.956 120.263 121.223 -0.006 0.000 2.141 655 L HA -0.163 4.176 4.340 -0.000 0.000 0.209 655 L C 2.541 179.399 176.870 -0.021 0.000 1.094 655 L CA 1.049 55.903 54.840 0.024 0.000 0.763 655 L CB -0.745 41.318 42.059 0.007 0.000 0.908 655 L HN 0.366 nan 8.230 nan 0.000 0.437 656 C N -1.225 118.029 119.300 -0.077 0.000 2.457 656 C HA -0.131 4.329 4.460 -0.000 0.000 0.278 656 C C 3.335 178.251 174.990 -0.123 0.000 1.309 656 C CA 1.194 60.139 59.018 -0.121 0.000 1.735 656 C CB -0.527 27.112 27.740 -0.169 0.000 1.992 656 C HN 0.611 nan 8.230 nan 0.000 0.493 657 S N 0.430 116.080 115.700 -0.084 0.000 2.382 657 S HA -0.218 4.252 4.470 -0.000 0.000 0.228 657 S C 1.833 176.406 174.600 -0.045 0.000 1.027 657 S CA 1.614 59.797 58.200 -0.028 0.000 0.991 657 S CB -0.325 62.890 63.200 0.026 0.000 0.823 657 S HN 0.752 nan 8.310 nan 0.000 0.469 658 Q N -0.070 119.712 119.800 -0.029 0.000 2.230 658 Q HA 0.082 4.422 4.340 -0.000 0.000 0.202 658 Q C 2.123 178.034 176.000 -0.149 0.000 0.963 658 Q CA 1.265 57.031 55.803 -0.061 0.000 0.866 658 Q CB -0.192 28.608 28.738 0.102 0.000 0.931 658 Q HN 0.576 nan 8.270 nan 0.000 0.452 659 I N 0.461 120.960 120.570 -0.118 0.000 2.233 659 I HA -0.266 3.904 4.170 -0.000 0.000 0.243 659 I C 2.055 178.021 176.117 -0.251 0.000 1.093 659 I CA 0.986 62.194 61.300 -0.153 0.000 1.380 659 I CB -0.007 37.881 38.000 -0.186 0.000 1.067 659 I HN 0.202 nan 8.210 nan 0.000 0.413 660 L N -0.326 120.692 121.223 -0.341 0.000 2.083 660 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 660 L C 2.580 179.039 176.870 -0.685 0.000 1.083 660 L CA 1.229 55.687 54.840 -0.636 0.000 0.752 660 L CB -0.414 41.070 42.059 -0.959 0.000 0.899 660 L HN 0.189 nan 8.230 nan 0.000 0.433 661 S N -0.247 115.225 115.700 -0.380 0.000 2.387 661 S HA -0.049 4.421 4.470 -0.000 0.000 0.226 661 S C 1.821 176.290 174.600 -0.219 0.000 1.026 661 S CA 0.860 58.968 58.200 -0.154 0.000 0.972 661 S CB -0.126 63.052 63.200 -0.036 0.000 0.814 661 S HN 0.309 nan 8.310 nan 0.000 0.477 662 L N 1.887 122.929 121.223 -0.302 0.000 2.551 662 L HA -0.041 4.299 4.340 -0.000 0.000 0.228 662 L C 2.537 179.226 176.870 -0.301 0.000 1.153 662 L CA 1.022 55.647 54.840 -0.358 0.000 0.851 662 L CB -0.884 40.905 42.059 -0.449 0.000 0.959 662 L HN 0.468 nan 8.230 nan 0.000 0.451 663 T N -2.342 112.055 114.554 -0.262 0.000 2.951 663 T HA -0.008 4.342 4.350 -0.000 0.000 0.268 663 T C 1.044 175.618 174.700 -0.209 0.000 1.073 663 T CA 0.323 62.288 62.100 -0.226 0.000 1.134 663 T CB -0.312 68.427 68.868 -0.215 0.000 0.884 663 T HN 0.092 nan 8.240 nan 0.000 0.479 667 Y N 0.940 121.263 120.300 0.039 0.000 3.054 667 Y HA -0.245 4.304 4.550 -0.000 0.000 0.210 667 Y C 0.359 176.323 175.900 0.105 0.000 1.212 667 Y CA 0.759 58.908 58.100 0.081 0.000 1.118 667 Y CB -2.114 36.320 38.460 -0.044 0.000 1.292 667 Y HN 0.024 nan 8.280 nan 0.000 0.533 668 S N -0.159 115.637 115.700 0.160 0.000 2.252 668 S HA 0.410 4.880 4.470 -0.000 0.000 0.187 668 S C 0.874 175.512 174.600 0.063 0.000 1.587 668 S CA -0.054 58.229 58.200 0.137 0.000 1.215 668 S CB 0.213 63.456 63.200 0.072 0.000 1.085 668 S HN 0.410 nan 8.310 nan 0.000 0.466 669 S N 2.697 118.406 115.700 0.016 0.000 2.428 669 S HA 0.046 4.515 4.470 -0.000 0.000 0.230 669 S C 1.049 175.377 174.600 -0.453 0.000 1.014 669 S CA 0.479 58.513 58.200 -0.276 0.000 0.957 669 S CB -0.547 62.357 63.200 -0.494 0.000 0.784 669 S HN 0.668 nan 8.310 nan 0.000 0.499 670 F N 1.506 121.496 119.950 0.067 0.000 2.698 670 F HA 0.409 4.936 4.527 -0.000 0.000 0.295 670 F C 1.400 177.217 175.800 0.027 0.000 1.124 670 F CA -0.224 57.799 58.000 0.038 0.000 1.426 670 F CB 0.033 39.068 39.000 0.057 0.000 1.120 670 F HN 0.152 nan 8.300 nan 0.000 0.583 671 Q N 0.248 120.138 119.800 0.150 0.000 2.399 671 Q HA 0.405 4.745 4.340 -0.000 0.000 0.276 671 Q C -2.624 173.394 176.000 0.029 0.000 1.098 671 Q CA -2.187 53.674 55.803 0.096 0.000 0.827 671 Q CB 2.467 31.280 28.738 0.125 0.000 1.386 671 Q HN -0.198 nan 8.270 nan 0.000 0.443 672 P HA 0.458 nan 4.420 nan 0.000 0.293 672 P C -1.074 176.135 177.300 -0.152 0.000 1.291 672 P CA -0.418 62.662 63.100 -0.033 0.000 0.867 672 P CB 1.245 32.994 31.700 0.081 0.000 1.074 673 I N 2.622 123.063 120.570 -0.214 0.000 2.439 673 I HA 0.249 4.419 4.170 -0.000 0.000 0.285 673 I C 1.497 177.406 176.117 -0.345 0.000 1.021 673 I CA -0.658 60.461 61.300 -0.303 0.000 1.091 673 I CB 2.420 40.200 38.000 -0.366 0.000 1.242 673 I HN 0.407 nan 8.210 nan 0.000 0.439 674 K N 6.062 126.183 120.400 -0.466 0.000 2.097 674 K HA 0.085 4.405 4.320 -0.000 0.000 0.205 674 K C 0.318 176.832 176.600 -0.143 0.000 1.050 674 K CA 1.047 57.085 56.287 -0.415 0.000 0.938 674 K CB 0.322 32.547 32.500 -0.458 0.000 0.718 674 K HN 0.492 nan 8.250 nan 0.000 0.442 675 L N 2.042 123.210 121.223 -0.091 0.000 2.334 675 L HA 0.365 4.704 4.340 -0.000 0.000 0.275 675 L C -2.284 174.557 176.870 -0.048 0.000 1.036 675 L CA -2.685 52.144 54.840 -0.018 0.000 0.807 675 L CB 1.362 43.481 42.059 0.099 0.000 1.231 675 L HN -0.037 nan 8.230 nan 0.000 0.438 676 P HA 0.025 nan 4.420 nan 0.000 0.269 676 P C 0.111 177.376 177.300 -0.058 0.000 1.209 676 P CA -0.085 62.957 63.100 -0.096 0.000 0.776 676 P CB 0.834 32.511 31.700 -0.039 0.000 0.876 677 A N 2.513 125.230 122.820 -0.173 0.000 2.032 677 A HA -0.208 4.112 4.320 -0.000 0.000 0.221 677 A C 1.903 179.481 177.584 -0.010 0.000 1.165 677 A CA 2.492 54.481 52.037 -0.081 0.000 0.645 677 A CB -1.923 16.936 19.000 -0.236 0.000 0.807 677 A HN 0.652 nan 8.150 nan 0.000 0.453 678 T N -2.224 112.207 114.554 -0.205 0.000 2.881 678 T HA -0.064 4.286 4.350 -0.000 0.000 0.270 678 T C 1.333 176.089 174.700 0.094 0.000 1.068 678 T CA 1.751 63.853 62.100 0.003 0.000 1.131 678 T CB -0.559 68.240 68.868 -0.115 0.000 0.871 678 T HN 0.938 nan 8.240 nan 0.000 0.479 679 V N -3.107 116.865 119.914 0.098 0.000 3.502 679 V HA 0.346 4.466 4.120 -0.000 0.000 0.288 679 V C 0.818 176.966 176.094 0.090 0.000 1.461 679 V CA -0.747 61.596 62.300 0.073 0.000 1.029 679 V CB -0.871 30.994 31.823 0.070 0.000 0.843 679 V HN 0.597 nan 8.190 nan 0.000 0.438 680 H N 0.287 119.388 119.070 0.053 0.000 3.004 680 H HA 0.104 4.660 4.556 -0.000 0.000 0.316 680 H C 0.591 176.013 175.328 0.158 0.000 1.014 680 H CA 1.046 57.160 56.048 0.111 0.000 1.454 680 H CB 0.196 30.037 29.762 0.132 0.000 1.472 680 H HN 0.380 nan 8.280 nan 0.000 0.571 681 Y N 2.170 122.133 120.300 -0.560 0.000 4.929 681 Y HA -0.362 4.188 4.550 -0.000 0.000 0.253 681 Y C 2.161 177.871 175.900 -0.316 0.000 0.946 681 Y CA 1.143 58.939 58.100 -0.507 0.000 1.905 681 Y CB -1.811 36.283 38.460 -0.610 0.000 1.400 681 Y HN 0.605 nan 8.280 nan 0.000 0.531 682 S N -0.378 115.252 115.700 -0.116 0.000 2.383 682 S HA -0.219 4.251 4.470 -0.000 0.000 0.229 682 S C 1.578 176.164 174.600 -0.024 0.000 1.030 682 S CA 1.611 59.812 58.200 0.002 0.000 1.002 682 S CB -0.224 62.980 63.200 0.007 0.000 0.829 682 S HN 0.679 nan 8.310 nan 0.000 0.467 683 D N 0.399 120.750 120.400 -0.083 0.000 2.234 683 D HA 0.031 4.671 4.640 -0.000 0.000 0.205 683 D C 1.938 178.147 176.300 -0.152 0.000 0.962 683 D CA 0.807 54.758 54.000 -0.081 0.000 0.855 683 D CB 0.135 40.897 40.800 -0.063 0.000 0.951 683 D HN 0.257 nan 8.370 nan 0.000 0.500 684 K N -0.331 119.900 120.400 -0.282 0.000 2.167 684 K HA 0.047 4.367 4.320 -0.000 0.000 0.203 684 K C 1.946 178.365 176.600 -0.301 0.000 1.052 684 K CA 0.541 56.613 56.287 -0.360 0.000 0.956 684 K CB 0.242 32.348 32.500 -0.658 0.000 0.735 684 K HN 0.249 nan 8.250 nan 0.000 0.451 685 I N 1.251 121.636 120.570 -0.308 0.000 2.286 685 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 685 I C 2.625 178.603 176.117 -0.231 0.000 1.104 685 I CA 1.407 62.527 61.300 -0.301 0.000 1.397 685 I CB -0.595 37.086 38.000 -0.531 0.000 1.072 685 I HN 0.280 nan 8.210 nan 0.000 0.417 686 T N -1.147 113.317 114.554 -0.151 0.000 2.777 686 T HA -0.164 4.185 4.350 -0.000 0.000 0.266 686 T C 1.842 176.504 174.700 -0.062 0.000 1.040 686 T CA 0.988 63.045 62.100 -0.071 0.000 1.141 686 T CB -0.371 68.505 68.868 0.013 0.000 0.868 686 T HN 0.226 nan 8.240 nan 0.000 0.444 687 K N 0.274 120.632 120.400 -0.070 0.000 2.362 687 K HA 0.201 4.520 4.320 -0.000 0.000 0.200 687 K C 0.854 177.417 176.600 -0.061 0.000 1.046 687 K CA 0.027 56.280 56.287 -0.057 0.000 0.952 687 K CB -0.251 32.211 32.500 -0.062 0.000 0.753 687 K HN 0.300 nan 8.250 nan 0.000 0.466 691 R N 1.534 122.017 120.500 -0.027 0.000 2.339 691 R HA 0.100 4.440 4.340 -0.000 0.000 0.199 691 R C 0.985 177.272 176.300 -0.021 0.000 1.018 691 R CA 0.595 56.683 56.100 -0.021 0.000 1.036 691 R CB -0.129 30.161 30.300 -0.017 0.000 0.899 691 R HN 0.269 nan 8.270 nan 0.000 0.473 692 G N 0.029 108.812 108.800 -0.029 0.000 2.588 692 G HA2 0.230 4.190 3.960 -0.000 0.000 0.278 692 G HA3 0.230 4.190 3.960 -0.000 0.000 0.278 692 G C 0.525 175.409 174.900 -0.026 0.000 1.307 692 G CA -0.505 44.578 45.100 -0.030 0.000 1.016 692 G HN 0.069 nan 8.290 nan 0.000 0.503 693 I N -1.235 119.319 120.570 -0.027 0.000 4.244 693 I HA 0.193 4.363 4.170 -0.000 0.000 0.318 693 I C 0.584 176.684 176.117 -0.029 0.000 1.282 693 I CA 0.250 61.536 61.300 -0.024 0.000 1.276 693 I CB 0.445 38.435 38.000 -0.018 0.000 1.183 693 I HN 0.382 nan 8.210 nan 0.000 0.431 694 E N 1.620 121.799 120.200 -0.034 0.000 2.207 694 E HA 0.419 4.768 4.350 -0.000 0.000 0.270 694 E C -2.312 174.258 176.600 -0.051 0.000 0.927 694 E CA -1.775 54.602 56.400 -0.039 0.000 0.799 694 E CB 1.210 30.888 29.700 -0.036 0.000 1.172 694 E HN -0.056 nan 8.360 nan 0.000 0.404 695 P HA 0.305 nan 4.420 nan 0.000 0.284 695 P C -0.946 176.301 177.300 -0.088 0.000 1.258 695 P CA -0.435 62.619 63.100 -0.077 0.000 0.824 695 P CB 0.607 32.260 31.700 -0.078 0.000 1.038 696 I N -0.501 119.998 120.570 -0.118 0.000 2.863 696 I HA 0.651 4.821 4.170 -0.000 0.000 0.311 696 I C 0.029 176.037 176.117 -0.182 0.000 1.026 696 I CA -0.592 60.632 61.300 -0.126 0.000 1.077 696 I CB 1.545 39.471 38.000 -0.124 0.000 1.262 696 I HN 0.154 nan 8.210 nan 0.000 0.461 697 K N 3.291 123.593 120.400 -0.162 0.000 2.767 697 K HA 0.335 4.655 4.320 -0.000 0.000 0.286 697 K C -1.763 174.774 176.600 -0.106 0.000 1.177 697 K CA -0.466 55.700 56.287 -0.201 0.000 1.078 697 K CB 0.962 33.410 32.500 -0.087 0.000 1.358 697 K HN 0.789 nan 8.250 nan 0.000 0.531 698 K N 2.349 122.663 120.400 -0.142 0.000 2.469 698 K HA 0.343 4.662 4.320 -0.000 0.000 0.254 698 K C -1.620 175.071 176.600 0.151 0.000 0.939 698 K CA -0.583 55.728 56.287 0.040 0.000 0.812 698 K CB 2.264 34.825 32.500 0.101 0.000 1.301 698 K HN 0.570 nan 8.250 nan 0.000 0.433 699 E N 1.127 121.423 120.200 0.160 0.000 2.293 699 E HA 0.626 4.976 4.350 -0.000 0.000 0.270 699 E C -1.176 175.228 176.600 -0.326 0.000 0.879 699 E CA -0.844 55.601 56.400 0.074 0.000 0.756 699 E CB 2.032 31.843 29.700 0.185 0.000 1.208 699 E HN 0.811 nan 8.360 nan 0.000 0.428 700 G N 1.358 109.598 108.800 -0.932 0.000 2.682 700 G HA2 0.354 4.313 3.960 -0.000 0.000 0.303 700 G HA3 0.354 4.313 3.960 -0.000 0.000 0.303 700 G C -1.152 173.364 174.900 -0.640 0.000 1.341 700 G CA -0.290 44.279 45.100 -0.886 0.000 0.784 700 G HN 0.589 nan 8.290 nan 0.000 0.497 701 D N -1.384 118.877 120.400 -0.232 0.000 2.615 701 D HA 0.209 4.849 4.640 -0.000 0.000 0.274 701 D C 0.135 176.479 176.300 0.073 0.000 1.512 701 D CA -0.018 53.954 54.000 -0.047 0.000 0.803 701 D CB -0.187 40.576 40.800 -0.062 0.000 1.182 701 D HN 0.376 nan 8.370 nan 0.000 0.473 705 W N 2.388 123.393 121.300 -0.491 0.000 2.658 705 W HA 0.445 5.104 4.660 -0.000 0.000 0.263 705 W C 0.467 176.777 176.519 -0.348 0.000 1.274 705 W CA -0.177 56.942 57.345 -0.377 0.000 1.343 705 W CB -0.604 28.624 29.460 -0.386 0.000 1.106 705 W HN -0.121 nan 8.180 nan 0.000 0.615 706 L N 0.000 120.994 121.223 -0.382 0.000 2.949 706 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 706 L CA 0.000 54.727 54.840 -0.187 0.000 0.813 706 L CB 0.000 41.961 42.059 -0.164 0.000 0.961 706 L HN 0.000 nan 8.230 nan 0.000 0.502