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 3k84_1_A DATA FIRST_RESID 33 DATA SEQUENCE GRQKARGAAT RARQKQRASL ETMDKAVQRF RLQNPDLDSE ALLTLPLLQL DATA SEQUENCE VQKLQSGELS PEAVFFTYLG KAWEVNKGTN CVTSYLTDCE TQLSQAPRQG DATA SEQUENCE LLYGVPVSLK ECFSYKGHDS TLGLSLNEGM PSESDCVVVQ VLKLQGAVPF DATA SEQUENCE VHTNVPQSMF SYDCSNPLFG QTMNPWKSSK SPGGSSGGEG ALIGSGGSPL DATA SEQUENCE GLGTDIGGSI RFPSAFCGIC GLKPTGNRLS KSGLKGCVYG QTAVQLSLGP DATA SEQUENCE MARDVESLAL CLKALLCEHL FTLDPTVPPL PFREEVYRSS RPLRVGYYET DATA SEQUENCE DNYTMPSPAM RRALIETKQR LEAAGHTLIP FLPNNIPYAL EVLSTGGLFS DATA SEQUENCE DGGRSFLQNF KGDFVDPCLG DLILILRLPS WFKRLLSLLL KPLFPRLAAF DATA SEQUENCE LNNMRPRSAE KLWKLQHEIE MYRQSVIAQW KAMNLDVLLT PMLGPALDLN DATA SEQUENCE TPGRATGAVS YTMLYNCLDF PAGVVPVTTV TAEDDAQMEL YKGYFGDIWD DATA SEQUENCE IILKKAMKNS VGLPVAVQCV ALPWQEELCL RFMREVEQLM TPQKQP 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 33 G HA2 0.000 nan 3.960 nan 0.000 0.244 33 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 33 G C 0.000 174.807 174.900 -0.155 0.000 0.946 33 G CA 0.000 45.044 45.100 -0.093 0.000 0.502 34 R N 0.765 121.164 120.500 -0.167 0.000 2.629 34 R HA 0.203 4.542 4.340 -0.002 0.000 0.408 34 R C 1.558 177.783 176.300 -0.124 0.000 1.057 34 R CA -0.434 55.496 56.100 -0.283 0.000 1.119 34 R CB 0.555 30.543 30.300 -0.519 0.000 1.403 34 R HN 0.632 nan 8.270 nan 0.000 0.576 35 Q N 1.152 120.913 119.800 -0.065 0.000 2.096 35 Q HA -0.140 4.199 4.340 -0.002 0.000 0.204 35 Q C 1.977 177.967 176.000 -0.018 0.000 0.982 35 Q CA 1.665 57.456 55.803 -0.020 0.000 0.850 35 Q CB 0.232 28.959 28.738 -0.017 0.000 0.901 35 Q HN 0.142 nan 8.270 nan 0.000 0.422 36 K N -0.273 120.100 120.400 -0.045 0.000 2.025 36 K HA -0.147 4.172 4.320 -0.002 0.000 0.207 36 K C 1.948 178.532 176.600 -0.027 0.000 1.049 36 K CA 1.191 57.455 56.287 -0.038 0.000 0.933 36 K CB -0.185 32.283 32.500 -0.053 0.000 0.714 36 K HN 0.201 nan 8.250 nan 0.000 0.438 37 A N 1.722 124.508 122.820 -0.057 0.000 1.902 37 A HA -0.158 4.161 4.320 -0.002 0.000 0.217 37 A C 2.143 179.827 177.584 0.166 0.000 1.181 37 A CA 1.385 53.428 52.037 0.011 0.000 0.623 37 A CB -0.457 18.437 19.000 -0.176 0.000 0.818 37 A HN 0.351 nan 8.150 nan 0.000 0.443 38 R N -1.011 119.603 120.500 0.190 0.000 2.081 38 R HA -0.096 4.243 4.340 -0.002 0.000 0.235 38 R C 2.437 178.780 176.300 0.072 0.000 1.131 38 R CA 1.134 57.342 56.100 0.181 0.000 0.960 38 R CB -0.661 29.735 30.300 0.160 0.000 0.856 38 R HN 0.536 nan 8.270 nan 0.000 0.436 39 G N 0.847 109.672 108.800 0.041 0.000 2.418 39 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.217 39 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.217 39 G C 1.569 176.469 174.900 0.001 0.000 1.158 39 G CA 0.849 45.959 45.100 0.016 0.000 0.771 39 G HN 0.411 nan 8.290 nan 0.000 0.545 40 A N 1.256 124.074 122.820 -0.004 0.000 1.883 40 A HA 0.204 4.522 4.320 -0.002 0.000 0.217 40 A C 2.844 180.387 177.584 -0.068 0.000 1.186 40 A CA 2.455 54.473 52.037 -0.031 0.000 0.624 40 A CB -0.897 18.083 19.000 -0.033 0.000 0.822 40 A HN 0.843 nan 8.150 nan 0.000 0.444 41 A N -1.090 121.701 122.820 -0.048 0.000 1.902 41 A HA -0.104 4.214 4.320 -0.002 0.000 0.217 41 A C 2.320 179.855 177.584 -0.081 0.000 1.181 41 A CA 2.378 54.359 52.037 -0.094 0.000 0.623 41 A CB -1.339 17.632 19.000 -0.048 0.000 0.818 41 A HN 0.441 nan 8.150 nan 0.000 0.443 42 T N -0.350 114.184 114.554 -0.034 0.000 2.708 42 T HA -0.145 4.204 4.350 -0.002 0.000 0.266 42 T C 2.090 176.781 174.700 -0.015 0.000 1.037 42 T CA 1.608 63.697 62.100 -0.017 0.000 1.146 42 T CB -0.231 68.638 68.868 0.000 0.000 0.865 42 T HN 0.510 nan 8.240 nan 0.000 0.435 43 R N 0.892 121.381 120.500 -0.018 0.000 2.066 43 R HA 0.073 4.412 4.340 -0.002 0.000 0.232 43 R C 2.910 179.209 176.300 -0.001 0.000 1.131 43 R CA 1.196 57.295 56.100 -0.002 0.000 0.955 43 R CB -0.596 29.704 30.300 -0.000 0.000 0.851 43 R HN 0.355 nan 8.270 nan 0.000 0.432 44 A N 1.561 124.339 122.820 -0.070 0.000 1.892 44 A HA -0.243 4.075 4.320 -0.002 0.000 0.218 44 A C 2.154 179.748 177.584 0.016 0.000 1.188 44 A CA 1.667 53.625 52.037 -0.130 0.000 0.631 44 A CB -0.494 18.148 19.000 -0.596 0.000 0.822 44 A HN 0.251 nan 8.150 nan 0.000 0.447 45 R N -1.433 119.050 120.500 -0.029 0.000 2.092 45 R HA -0.145 4.194 4.340 -0.002 0.000 0.231 45 R C 2.487 178.847 176.300 0.100 0.000 1.119 45 R CA 1.492 57.631 56.100 0.066 0.000 0.970 45 R CB -0.217 30.093 30.300 0.017 0.000 0.864 45 R HN 0.641 nan 8.270 nan 0.000 0.440 46 Q N 1.277 121.121 119.800 0.073 0.000 2.119 46 Q HA -0.108 4.230 4.340 -0.002 0.000 0.201 46 Q C 1.484 177.549 176.000 0.109 0.000 0.972 46 Q CA 1.699 57.549 55.803 0.078 0.000 0.847 46 Q CB 0.113 28.885 28.738 0.055 0.000 0.903 46 Q HN 0.141 nan 8.270 nan 0.000 0.433 47 K N -0.177 120.302 120.400 0.132 0.000 2.057 47 K HA -0.198 4.121 4.320 -0.002 0.000 0.207 47 K C 2.151 178.870 176.600 0.198 0.000 1.049 47 K CA 1.481 57.865 56.287 0.162 0.000 0.931 47 K CB -0.135 32.474 32.500 0.181 0.000 0.714 47 K HN 0.383 nan 8.250 nan 0.000 0.440 48 Q N 1.158 121.110 119.800 0.254 0.000 2.050 48 Q HA -0.225 4.114 4.340 -0.002 0.000 0.202 48 Q C 2.248 178.346 176.000 0.164 0.000 0.980 48 Q CA 1.512 57.448 55.803 0.221 0.000 0.840 48 Q CB -0.017 28.903 28.738 0.303 0.000 0.898 48 Q HN 0.168 nan 8.270 nan 0.000 0.424 49 R N -0.176 120.412 120.500 0.147 0.000 2.096 49 R HA -0.201 4.138 4.340 -0.002 0.000 0.240 49 R C 2.159 178.538 176.300 0.131 0.000 1.139 49 R CA 1.731 57.904 56.100 0.122 0.000 0.952 49 R CB -0.454 29.905 30.300 0.098 0.000 0.854 49 R HN 0.349 nan 8.270 nan 0.000 0.436 50 A N -0.355 122.542 122.820 0.128 0.000 1.902 50 A HA -0.124 4.195 4.320 -0.002 0.000 0.217 50 A C 2.238 179.915 177.584 0.155 0.000 1.181 50 A CA 1.854 53.967 52.037 0.127 0.000 0.623 50 A CB -0.612 18.456 19.000 0.113 0.000 0.818 50 A HN 0.436 nan 8.150 nan 0.000 0.443 51 S N -0.240 115.569 115.700 0.182 0.000 2.356 51 S HA -0.102 4.366 4.470 -0.002 0.000 0.223 51 S C 1.835 176.547 174.600 0.186 0.000 1.032 51 S CA 1.491 59.831 58.200 0.233 0.000 1.005 51 S CB -0.444 62.904 63.200 0.246 0.000 0.867 51 S HN 0.522 nan 8.310 nan 0.000 0.449 52 L N 0.918 122.254 121.223 0.189 0.000 2.083 52 L HA -0.125 4.214 4.340 -0.002 0.000 0.209 52 L C 2.649 179.692 176.870 0.288 0.000 1.083 52 L CA 1.346 56.349 54.840 0.273 0.000 0.752 52 L CB -0.489 41.717 42.059 0.246 0.000 0.899 52 L HN 0.283 nan 8.230 nan 0.000 0.433 53 E N 0.169 120.484 120.200 0.193 0.000 2.072 53 E HA -0.174 4.175 4.350 -0.002 0.000 0.191 53 E C 2.008 178.615 176.600 0.011 0.000 0.985 53 E CA 1.925 58.392 56.400 0.112 0.000 0.801 53 E CB -0.173 29.589 29.700 0.103 0.000 0.750 53 E HN 0.253 nan 8.360 nan 0.000 0.452 54 T N 0.632 115.214 114.554 0.046 0.000 2.759 54 T HA -0.189 4.160 4.350 -0.002 0.000 0.269 54 T C 1.853 176.479 174.700 -0.123 0.000 1.042 54 T CA 1.807 63.928 62.100 0.036 0.000 1.140 54 T CB -0.249 68.734 68.868 0.192 0.000 0.864 54 T HN 0.202 nan 8.240 nan 0.000 0.455 55 M N 0.853 120.287 119.600 -0.277 0.000 2.086 55 M HA -0.101 4.378 4.480 -0.002 0.000 0.261 55 M C 2.309 178.337 176.300 -0.453 0.000 1.067 55 M CA 1.605 56.624 55.300 -0.468 0.000 1.116 55 M CB -0.397 31.986 32.600 -0.361 0.000 1.348 55 M HN 0.110 nan 8.290 nan 0.000 0.407 56 D N 0.626 120.666 120.400 -0.600 0.000 2.092 56 D HA -0.154 4.485 4.640 -0.002 0.000 0.193 56 D C 1.794 177.816 176.300 -0.462 0.000 0.994 56 D CA 1.563 55.039 54.000 -0.874 0.000 0.828 56 D CB 0.029 40.313 40.800 -0.860 0.000 0.963 56 D HN 0.200 nan 8.370 nan 0.000 0.450 57 K N 0.036 120.275 120.400 -0.268 0.000 2.044 57 K HA -0.135 4.184 4.320 -0.002 0.000 0.210 57 K C 2.231 178.742 176.600 -0.148 0.000 1.049 57 K CA 1.325 57.515 56.287 -0.162 0.000 0.927 57 K CB -0.277 32.176 32.500 -0.079 0.000 0.713 57 K HN 0.155 nan 8.250 nan 0.000 0.443 58 A N 1.029 123.776 122.820 -0.122 0.000 1.902 58 A HA -0.132 4.187 4.320 -0.002 0.000 0.217 58 A C 2.400 179.875 177.584 -0.181 0.000 1.181 58 A CA 1.536 53.524 52.037 -0.081 0.000 0.623 58 A CB -0.632 18.442 19.000 0.123 0.000 0.818 58 A HN 0.090 nan 8.150 nan 0.000 0.443 59 V N -0.130 119.676 119.914 -0.180 0.000 2.358 59 V HA -0.219 3.900 4.120 -0.002 0.000 0.246 59 V C 2.713 178.729 176.094 -0.129 0.000 1.047 59 V CA 1.903 64.112 62.300 -0.153 0.000 1.035 59 V CB -0.687 30.997 31.823 -0.231 0.000 0.658 59 V HN 0.530 nan 8.190 nan 0.000 0.452 60 Q N -0.251 119.437 119.800 -0.188 0.000 2.119 60 Q HA -0.160 4.179 4.340 -0.002 0.000 0.201 60 Q C 2.399 178.327 176.000 -0.119 0.000 0.972 60 Q CA 1.229 56.943 55.803 -0.148 0.000 0.847 60 Q CB -0.520 28.117 28.738 -0.167 0.000 0.903 60 Q HN 0.469 nan 8.270 nan 0.000 0.433 61 R N 0.125 120.545 120.500 -0.134 0.000 2.073 61 R HA -0.139 4.200 4.340 -0.002 0.000 0.234 61 R C 2.164 178.371 176.300 -0.155 0.000 1.134 61 R CA 1.208 57.226 56.100 -0.137 0.000 0.952 61 R CB -0.646 29.567 30.300 -0.144 0.000 0.850 61 R HN 0.263 nan 8.270 nan 0.000 0.433 62 F N 1.543 121.280 119.950 -0.355 0.000 2.102 62 F HA -0.157 4.369 4.527 -0.002 0.000 0.298 62 F C 2.435 178.125 175.800 -0.182 0.000 1.105 62 F CA 1.615 59.402 58.000 -0.355 0.000 1.239 62 F CB -0.158 38.505 39.000 -0.561 0.000 0.991 62 F HN -0.054 nan 8.300 nan 0.000 0.474 63 R N 0.269 120.748 120.500 -0.035 0.000 2.105 63 R HA -0.161 4.178 4.340 -0.002 0.000 0.239 63 R C 2.233 178.427 176.300 -0.177 0.000 1.135 63 R CA 1.795 57.844 56.100 -0.085 0.000 0.967 63 R CB -0.656 29.641 30.300 -0.006 0.000 0.861 63 R HN 0.389 nan 8.270 nan 0.000 0.442 64 L N 0.484 121.608 121.223 -0.164 0.000 2.201 64 L HA -0.155 4.184 4.340 -0.002 0.000 0.212 64 L C 2.083 178.844 176.870 -0.182 0.000 1.105 64 L CA 0.848 55.600 54.840 -0.145 0.000 0.775 64 L CB -0.211 41.780 42.059 -0.113 0.000 0.913 64 L HN 0.159 nan 8.230 nan 0.000 0.440 65 Q N -0.384 119.255 119.800 -0.268 0.000 2.424 65 Q HA 0.081 4.420 4.340 -0.002 0.000 0.204 65 Q C 0.271 176.071 176.000 -0.335 0.000 0.933 65 Q CA 0.604 56.238 55.803 -0.282 0.000 0.929 65 Q CB 0.192 28.748 28.738 -0.304 0.000 1.037 65 Q HN 0.513 nan 8.270 nan 0.000 0.511 66 N N 0.733 119.184 118.700 -0.415 0.000 2.672 66 N HA 0.133 4.871 4.740 -0.002 0.000 0.295 66 N C -2.141 173.249 175.510 -0.200 0.000 1.924 66 N CA -0.770 52.061 53.050 -0.365 0.000 0.851 66 N CB 1.426 39.515 38.487 -0.663 0.000 1.281 66 N HN 0.043 nan 8.380 nan 0.000 0.494 67 P HA -0.021 nan 4.420 nan 0.000 0.223 67 P C 0.234 177.501 177.300 -0.056 0.000 1.151 67 P CA 1.143 64.192 63.100 -0.086 0.000 0.787 67 P CB 0.532 32.187 31.700 -0.075 0.000 0.788 68 D N -0.921 119.446 120.400 -0.055 0.000 2.360 68 D HA 0.059 4.698 4.640 -0.002 0.000 0.210 68 D C 0.734 177.024 176.300 -0.016 0.000 1.047 68 D CA -0.226 53.755 54.000 -0.032 0.000 0.854 68 D CB -0.367 40.415 40.800 -0.030 0.000 0.936 68 D HN 0.087 nan 8.370 nan 0.000 0.514 69 L N 1.855 123.071 121.223 -0.012 0.000 2.540 69 L HA 0.052 4.391 4.340 -0.002 0.000 0.276 69 L C 0.031 176.913 176.870 0.019 0.000 1.212 69 L CA 0.107 54.961 54.840 0.023 0.000 0.893 69 L CB 0.417 42.521 42.059 0.074 0.000 1.138 69 L HN -0.210 nan 8.230 nan 0.000 0.491 70 D N 2.326 122.736 120.400 0.015 0.000 2.483 70 D HA 0.082 4.721 4.640 -0.002 0.000 0.220 70 D C 1.186 177.483 176.300 -0.004 0.000 1.173 70 D CA 0.604 54.606 54.000 0.003 0.000 0.964 70 D CB 0.587 41.387 40.800 0.001 0.000 1.046 70 D HN 0.731 nan 8.370 nan 0.000 0.517 71 S N 2.374 118.068 115.700 -0.010 0.000 2.383 71 S HA -0.179 4.290 4.470 -0.002 0.000 0.227 71 S C 1.695 176.248 174.600 -0.077 0.000 1.026 71 S CA 0.538 58.715 58.200 -0.039 0.000 0.981 71 S CB -0.006 63.174 63.200 -0.033 0.000 0.818 71 S HN 0.308 nan 8.310 nan 0.000 0.472 72 E N 2.263 122.429 120.200 -0.056 0.000 2.038 72 E HA 0.026 4.375 4.350 -0.002 0.000 0.195 72 E C 2.310 178.877 176.600 -0.054 0.000 1.000 72 E CA 1.451 57.815 56.400 -0.060 0.000 0.803 72 E CB -0.897 28.780 29.700 -0.039 0.000 0.750 72 E HN 0.609 nan 8.360 nan 0.000 0.448 73 A N 0.558 123.358 122.820 -0.034 0.000 1.892 73 A HA -0.212 4.107 4.320 -0.002 0.000 0.218 73 A C 2.323 179.892 177.584 -0.025 0.000 1.188 73 A CA 1.705 53.730 52.037 -0.021 0.000 0.631 73 A CB -0.884 18.111 19.000 -0.008 0.000 0.822 73 A HN 0.374 nan 8.150 nan 0.000 0.447 74 L N -0.793 120.405 121.223 -0.040 0.000 2.027 74 L HA -0.091 4.248 4.340 -0.002 0.000 0.206 74 L C 2.357 179.170 176.870 -0.096 0.000 1.074 74 L CA 1.330 56.142 54.840 -0.046 0.000 0.745 74 L CB -0.190 41.839 42.059 -0.051 0.000 0.898 74 L HN 0.413 nan 8.230 nan 0.000 0.433 75 L N -0.605 120.502 121.223 -0.193 0.000 2.275 75 L HA -0.139 4.200 4.340 -0.002 0.000 0.215 75 L C 2.270 179.080 176.870 -0.101 0.000 1.119 75 L CA 1.535 56.187 54.840 -0.313 0.000 0.790 75 L CB -0.587 41.264 42.059 -0.347 0.000 0.919 75 L HN 0.485 nan 8.230 nan 0.000 0.443 76 T N -3.563 110.963 114.554 -0.047 0.000 3.086 76 T HA 0.184 4.532 4.350 -0.002 0.000 0.250 76 T C 0.691 175.407 174.700 0.026 0.000 1.074 76 T CA -0.303 61.796 62.100 -0.001 0.000 0.988 76 T CB -0.160 68.702 68.868 -0.010 0.000 0.988 76 T HN 0.011 nan 8.240 nan 0.000 0.530 77 L N 2.856 124.099 121.223 0.033 0.000 2.513 77 L HA 0.272 4.611 4.340 -0.002 0.000 0.272 77 L C -2.065 174.843 176.870 0.064 0.000 1.187 77 L CA -1.947 52.921 54.840 0.046 0.000 0.895 77 L CB 0.269 42.357 42.059 0.049 0.000 1.147 77 L HN 0.066 nan 8.230 nan 0.000 0.483 78 P HA -0.080 nan 4.420 nan 0.000 0.267 78 P C 0.519 177.848 177.300 0.048 0.000 1.200 78 P CA -0.344 62.787 63.100 0.051 0.000 0.772 78 P CB 0.623 32.348 31.700 0.043 0.000 0.855 79 L N 3.922 125.168 121.223 0.038 0.000 2.043 79 L HA -0.194 4.145 4.340 -0.002 0.000 0.212 79 L C 1.857 178.736 176.870 0.014 0.000 1.075 79 L CA 1.907 56.756 54.840 0.016 0.000 0.752 79 L CB -1.121 40.930 42.059 -0.013 0.000 0.891 79 L HN 0.348 nan 8.230 nan 0.000 0.432 80 L N -0.657 120.578 121.223 0.020 0.000 2.043 80 L HA -0.280 4.059 4.340 -0.002 0.000 0.212 80 L C 2.587 179.474 176.870 0.028 0.000 1.075 80 L CA 2.070 56.923 54.840 0.022 0.000 0.752 80 L CB -1.020 41.059 42.059 0.033 0.000 0.891 80 L HN 0.557 nan 8.230 nan 0.000 0.432 81 Q N -1.307 118.513 119.800 0.033 0.000 2.096 81 Q HA -0.192 4.147 4.340 -0.002 0.000 0.197 81 Q C 2.151 178.173 176.000 0.037 0.000 0.964 81 Q CA 0.722 56.546 55.803 0.034 0.000 0.838 81 Q CB -0.082 28.677 28.738 0.035 0.000 0.906 81 Q HN 0.293 nan 8.270 nan 0.000 0.444 82 L N 0.489 121.737 121.223 0.041 0.000 2.013 82 L HA -0.200 4.139 4.340 -0.002 0.000 0.212 82 L C 2.142 179.033 176.870 0.035 0.000 1.073 82 L CA 1.487 56.354 54.840 0.045 0.000 0.753 82 L CB -0.465 41.628 42.059 0.057 0.000 0.890 82 L HN -0.004 nan 8.230 nan 0.000 0.432 83 V N -0.546 119.384 119.914 0.026 0.000 2.343 83 V HA -0.296 3.823 4.120 -0.002 0.000 0.247 83 V C 2.604 178.729 176.094 0.052 0.000 1.051 83 V CA 1.938 64.257 62.300 0.030 0.000 1.036 83 V CB -0.690 31.142 31.823 0.016 0.000 0.654 83 V HN 0.605 nan 8.190 nan 0.000 0.451 84 Q N 0.537 120.363 119.800 0.043 0.000 2.050 84 Q HA -0.236 4.103 4.340 -0.002 0.000 0.202 84 Q C 2.268 178.300 176.000 0.052 0.000 0.980 84 Q CA 1.867 57.696 55.803 0.044 0.000 0.840 84 Q CB -0.142 28.617 28.738 0.035 0.000 0.898 84 Q HN 0.618 nan 8.270 nan 0.000 0.424 85 K N -0.041 120.390 120.400 0.052 0.000 2.217 85 K HA -0.039 4.280 4.320 -0.002 0.000 0.202 85 K C 2.310 178.956 176.600 0.077 0.000 1.051 85 K CA 0.575 56.896 56.287 0.056 0.000 0.952 85 K CB 0.026 32.556 32.500 0.049 0.000 0.736 85 K HN 0.188 nan 8.250 nan 0.000 0.453 86 L N 0.738 122.015 121.223 0.091 0.000 2.056 86 L HA -0.197 4.142 4.340 -0.002 0.000 0.207 86 L C 2.699 179.714 176.870 0.243 0.000 1.078 86 L CA 1.080 56.008 54.840 0.147 0.000 0.749 86 L CB -0.231 41.882 42.059 0.090 0.000 0.901 86 L HN 0.137 nan 8.230 nan 0.000 0.433 87 Q N 0.075 119.980 119.800 0.176 0.000 2.119 87 Q HA -0.168 4.171 4.340 -0.002 0.000 0.201 87 Q C 2.294 178.321 176.000 0.045 0.000 0.972 87 Q CA 2.051 57.916 55.803 0.104 0.000 0.847 87 Q CB -0.169 28.607 28.738 0.063 0.000 0.903 87 Q HN 0.517 nan 8.270 nan 0.000 0.433 88 S N -2.036 113.696 115.700 0.054 0.000 2.461 88 S HA 0.171 4.640 4.470 -0.002 0.000 0.228 88 S C 1.554 176.178 174.600 0.041 0.000 1.005 88 S CA 0.773 58.993 58.200 0.035 0.000 0.942 88 S CB -0.042 63.178 63.200 0.034 0.000 0.776 88 S HN 0.715 nan 8.310 nan 0.000 0.514 89 G N 1.073 109.915 108.800 0.070 0.000 2.176 89 G HA2 -0.304 3.655 3.960 -0.002 0.000 0.232 89 G HA3 -0.304 3.655 3.960 -0.002 0.000 0.232 89 G C 0.584 175.525 174.900 0.068 0.000 0.986 89 G CA 0.525 45.671 45.100 0.076 0.000 0.643 89 G HN 0.569 nan 8.290 nan 0.000 0.522 90 E N -0.394 119.842 120.200 0.059 0.000 2.110 90 E HA 0.068 4.417 4.350 -0.002 0.000 0.193 90 E C 0.955 177.590 176.600 0.058 0.000 0.988 90 E CA 0.549 56.980 56.400 0.051 0.000 0.804 90 E CB -0.042 29.684 29.700 0.043 0.000 0.745 90 E HN 0.557 nan 8.360 nan 0.000 0.458 91 L N 1.461 122.724 121.223 0.067 0.000 2.317 91 L HA 0.243 4.581 4.340 -0.002 0.000 0.281 91 L C 0.004 176.923 176.870 0.083 0.000 1.024 91 L CA -0.881 54.002 54.840 0.071 0.000 0.810 91 L CB 1.810 43.904 42.059 0.059 0.000 1.240 91 L HN 0.066 nan 8.230 nan 0.000 0.427 92 S N 1.858 117.612 115.700 0.091 0.000 2.584 92 S HA 0.352 4.821 4.470 -0.002 0.000 0.273 92 S C -2.006 172.621 174.600 0.044 0.000 1.311 92 S CA -1.197 57.060 58.200 0.096 0.000 1.034 92 S CB 1.332 64.609 63.200 0.128 0.000 0.939 92 S HN 0.397 nan 8.310 nan 0.000 0.513 93 P HA -0.059 nan 4.420 nan 0.000 0.218 93 P C 0.889 178.135 177.300 -0.090 0.000 1.148 93 P CA 1.133 64.146 63.100 -0.145 0.000 0.822 93 P CB 0.031 31.571 31.700 -0.268 0.000 0.784 94 E N -0.207 120.000 120.200 0.013 0.000 2.072 94 E HA -0.084 4.264 4.350 -0.002 0.000 0.191 94 E C 2.192 178.813 176.600 0.035 0.000 0.985 94 E CA 1.363 57.816 56.400 0.088 0.000 0.801 94 E CB -1.128 28.793 29.700 0.369 0.000 0.750 94 E HN 0.124 nan 8.360 nan 0.000 0.452 95 A N 0.577 123.494 122.820 0.160 0.000 1.883 95 A HA -0.188 4.130 4.320 -0.002 0.000 0.217 95 A C 2.480 180.037 177.584 -0.044 0.000 1.186 95 A CA 1.671 53.811 52.037 0.171 0.000 0.624 95 A CB -0.878 18.275 19.000 0.255 0.000 0.822 95 A HN 0.151 nan 8.150 nan 0.000 0.444 96 V N -1.263 118.638 119.914 -0.022 0.000 2.295 96 V HA -0.239 3.880 4.120 -0.002 0.000 0.246 96 V C 2.285 178.330 176.094 -0.082 0.000 1.049 96 V CA 2.122 64.414 62.300 -0.014 0.000 1.024 96 V CB -0.994 30.833 31.823 0.007 0.000 0.648 96 V HN 0.634 nan 8.190 nan 0.000 0.447 97 F N 0.407 120.144 119.950 -0.355 0.000 2.075 97 F HA -0.196 4.330 4.527 -0.002 0.000 0.297 97 F C 2.058 177.512 175.800 -0.577 0.000 1.113 97 F CA 1.908 59.581 58.000 -0.545 0.000 1.218 97 F CB -0.279 38.279 39.000 -0.737 0.000 0.984 97 F HN 0.131 nan 8.300 nan 0.000 0.472 98 F N 0.299 119.894 119.950 -0.592 0.000 2.407 98 F HA -0.076 4.450 4.527 -0.002 0.000 0.299 98 F C 2.435 177.877 175.800 -0.597 0.000 1.097 98 F CA 1.357 58.892 58.000 -0.774 0.000 1.422 98 F CB -1.340 36.979 39.000 -1.135 0.000 1.067 98 F HN -0.078 nan 8.300 nan 0.000 0.539 99 T N -1.439 112.908 114.554 -0.344 0.000 2.809 99 T HA -0.168 4.181 4.350 -0.002 0.000 0.260 99 T C 1.687 176.212 174.700 -0.293 0.000 1.039 99 T CA 1.202 63.164 62.100 -0.229 0.000 1.141 99 T CB -0.535 68.227 68.868 -0.178 0.000 0.869 99 T HN 0.127 nan 8.240 nan 0.000 0.437 100 Y N 0.871 120.974 120.300 -0.327 0.000 2.224 100 Y HA 0.003 4.552 4.550 -0.002 0.000 0.289 100 Y C 2.138 177.819 175.900 -0.365 0.000 1.146 100 Y CA 0.440 58.334 58.100 -0.344 0.000 1.182 100 Y CB -0.444 37.735 38.460 -0.468 0.000 0.983 100 Y HN 0.087 nan 8.280 nan 0.000 0.524 101 L N -0.417 120.555 121.223 -0.419 0.000 2.046 101 L HA -0.083 4.256 4.340 -0.002 0.000 0.208 101 L C 2.488 179.304 176.870 -0.091 0.000 1.077 101 L CA 2.079 56.719 54.840 -0.334 0.000 0.747 101 L CB -1.167 40.514 42.059 -0.630 0.000 0.896 101 L HN 0.204 nan 8.230 nan 0.000 0.432 102 G N -0.950 107.785 108.800 -0.108 0.000 2.446 102 G HA2 -0.367 3.591 3.960 -0.002 0.000 0.217 102 G HA3 -0.367 3.591 3.960 -0.002 0.000 0.217 102 G C 1.692 176.646 174.900 0.090 0.000 1.168 102 G CA 1.045 46.138 45.100 -0.011 0.000 0.771 102 G HN 0.304 nan 8.290 nan 0.000 0.551 103 K N 1.096 121.505 120.400 0.014 0.000 2.057 103 K HA 0.135 4.453 4.320 -0.002 0.000 0.207 103 K C 2.734 179.395 176.600 0.101 0.000 1.049 103 K CA 1.540 57.844 56.287 0.028 0.000 0.931 103 K CB -0.764 31.698 32.500 -0.063 0.000 0.714 103 K HN 0.182 nan 8.250 nan 0.000 0.440 104 A N -0.327 122.588 122.820 0.158 0.000 1.883 104 A HA -0.185 4.134 4.320 -0.002 0.000 0.217 104 A C 2.188 179.868 177.584 0.161 0.000 1.186 104 A CA 1.713 53.868 52.037 0.196 0.000 0.624 104 A CB -1.236 17.973 19.000 0.349 0.000 0.822 104 A HN 0.659 nan 8.150 nan 0.000 0.444 105 W N 0.759 122.056 121.300 -0.005 0.000 2.355 105 W HA -0.161 4.498 4.660 -0.002 0.000 0.309 105 W C 2.093 178.597 176.519 -0.024 0.000 1.206 105 W CA 2.010 59.338 57.345 -0.029 0.000 1.284 105 W CB -0.174 29.254 29.460 -0.054 0.000 1.145 105 W HN 0.492 nan 8.180 nan 0.000 0.502 106 E N -0.384 119.921 120.200 0.174 0.000 2.051 106 E HA -0.258 4.091 4.350 -0.002 0.000 0.192 106 E C 2.176 178.707 176.600 -0.116 0.000 0.991 106 E CA 2.404 58.804 56.400 0.001 0.000 0.799 106 E CB -0.645 29.116 29.700 0.101 0.000 0.748 106 E HN 0.313 nan 8.360 nan 0.000 0.449 107 V N -0.242 119.640 119.914 -0.054 0.000 2.871 107 V HA -0.114 4.005 4.120 -0.002 0.000 0.256 107 V C 1.804 177.843 176.094 -0.092 0.000 1.082 107 V CA 1.898 64.160 62.300 -0.064 0.000 1.105 107 V CB -0.553 31.255 31.823 -0.025 0.000 0.713 107 V HN 0.134 nan 8.190 nan 0.000 0.473 108 N N 1.099 119.727 118.700 -0.119 0.000 2.289 108 N HA -0.160 4.579 4.740 -0.002 0.000 0.184 108 N C 1.755 177.150 175.510 -0.192 0.000 1.016 108 N CA 1.508 54.473 53.050 -0.141 0.000 0.872 108 N CB -0.336 38.060 38.487 -0.151 0.000 0.973 108 N HN 0.553 nan 8.380 nan 0.000 0.433 109 K N -0.883 119.351 120.400 -0.277 0.000 2.074 109 K HA -0.092 4.227 4.320 -0.002 0.000 0.209 109 K C 1.752 178.258 176.600 -0.157 0.000 1.048 109 K CA 1.486 57.611 56.287 -0.270 0.000 0.926 109 K CB -0.404 31.904 32.500 -0.320 0.000 0.713 109 K HN 0.337 nan 8.250 nan 0.000 0.444 110 G N 0.297 109.024 108.800 -0.122 0.000 2.986 110 G HA2 -0.084 3.875 3.960 -0.002 0.000 0.213 110 G HA3 -0.084 3.875 3.960 -0.002 0.000 0.213 110 G C 1.290 176.157 174.900 -0.055 0.000 1.156 110 G CA 0.775 45.827 45.100 -0.080 0.000 0.763 110 G HN 0.412 nan 8.290 nan 0.000 0.547 111 T N -3.284 111.236 114.554 -0.057 0.000 2.964 111 T HA 0.117 4.466 4.350 -0.002 0.000 0.249 111 T C 0.971 175.658 174.700 -0.022 0.000 1.000 111 T CA 0.488 62.572 62.100 -0.027 0.000 0.992 111 T CB -0.060 68.798 68.868 -0.017 0.000 1.087 111 T HN 0.165 nan 8.240 nan 0.000 0.489 112 N N 0.798 119.472 118.700 -0.042 0.000 2.714 112 N HA -0.201 4.538 4.740 -0.002 0.000 0.253 112 N C 0.719 176.217 175.510 -0.020 0.000 1.024 112 N CA 0.677 53.710 53.050 -0.028 0.000 0.726 112 N CB -1.826 36.660 38.487 -0.003 0.000 0.908 112 N HN 0.815 nan 8.380 nan 0.000 0.542 113 C N -3.270 116.010 119.300 -0.035 0.000 2.674 113 C HA 0.485 4.944 4.460 -0.002 0.000 0.276 113 C C 0.997 175.946 174.990 -0.069 0.000 1.300 113 C CA -0.375 58.623 59.018 -0.034 0.000 1.732 113 C CB -0.697 27.032 27.740 -0.018 0.000 2.076 113 C HN 0.232 nan 8.230 nan 0.000 0.548 114 V N 3.040 122.906 119.914 -0.081 0.000 2.407 114 V HA 0.370 4.489 4.120 -0.002 0.000 0.278 114 V C 1.545 177.543 176.094 -0.160 0.000 1.037 114 V CA 0.960 63.196 62.300 -0.107 0.000 0.900 114 V CB 1.310 33.094 31.823 -0.065 0.000 0.983 114 V HN 0.661 nan 8.190 nan 0.000 0.459 115 T N 0.398 114.788 114.554 -0.274 0.000 3.039 115 T HA 0.159 4.508 4.350 -0.002 0.000 0.250 115 T C 0.729 175.269 174.700 -0.266 0.000 1.052 115 T CA 0.500 62.260 62.100 -0.568 0.000 1.125 115 T CB 0.417 68.585 68.868 -1.165 0.000 0.908 115 T HN 0.545 nan 8.240 nan 0.000 0.473 116 S N -0.460 115.184 115.700 -0.093 0.000 2.533 116 S HA 0.478 4.947 4.470 -0.002 0.000 0.271 116 S C -2.034 172.596 174.600 0.050 0.000 1.143 116 S CA -0.979 57.254 58.200 0.054 0.000 0.891 116 S CB 1.311 64.599 63.200 0.145 0.000 1.105 116 S HN 0.455 nan 8.310 nan 0.000 0.468 117 Y N 5.212 125.512 120.300 0.000 0.000 2.350 117 Y HA 0.523 5.072 4.550 -0.002 0.000 0.340 117 Y C -0.263 175.595 175.900 -0.071 0.000 1.006 117 Y CA -0.820 57.267 58.100 -0.022 0.000 1.166 117 Y CB 0.563 39.074 38.460 0.085 0.000 1.168 117 Y HN 0.568 nan 8.280 nan 0.000 0.502 118 L N 7.927 128.774 121.223 -0.626 0.000 2.395 118 L HA 0.061 4.400 4.340 -0.002 0.000 0.268 118 L C 1.175 177.607 176.870 -0.729 0.000 1.223 118 L CA -0.138 54.154 54.840 -0.914 0.000 1.093 118 L CB -0.181 41.109 42.059 -1.282 0.000 1.349 118 L HN 0.873 nan 8.230 nan 0.000 0.427 119 T N -0.300 113.977 114.554 -0.461 0.000 2.778 119 T HA -0.190 4.159 4.350 -0.002 0.000 0.269 119 T C 1.308 175.900 174.700 -0.181 0.000 1.050 119 T CA 1.820 63.682 62.100 -0.397 0.000 1.137 119 T CB -0.234 68.618 68.868 -0.027 0.000 0.860 119 T HN 0.728 nan 8.240 nan 0.000 0.468 120 D N 1.232 121.605 120.400 -0.046 0.000 2.378 120 D HA -0.049 4.590 4.640 -0.002 0.000 0.227 120 D C 2.045 178.310 176.300 -0.058 0.000 1.012 120 D CA 0.454 54.451 54.000 -0.004 0.000 0.905 120 D CB -1.375 39.465 40.800 0.065 0.000 0.895 120 D HN 0.660 nan 8.370 nan 0.000 0.532 121 C N -0.741 118.474 119.300 -0.142 0.000 2.449 121 C HA 0.082 4.541 4.460 -0.002 0.000 0.283 121 C C 2.025 176.806 174.990 -0.349 0.000 1.453 121 C CA -0.190 58.715 59.018 -0.189 0.000 1.779 121 C CB -1.043 26.595 27.740 -0.171 0.000 1.779 121 C HN 0.230 nan 8.230 nan 0.000 0.546 122 E N 1.589 121.628 120.200 -0.267 0.000 2.158 122 E HA -0.101 4.248 4.350 -0.002 0.000 0.191 122 E C 2.411 178.910 176.600 -0.168 0.000 0.982 122 E CA 1.797 58.028 56.400 -0.282 0.000 0.823 122 E CB -0.131 29.558 29.700 -0.018 0.000 0.766 122 E HN 0.930 nan 8.360 nan 0.000 0.468 123 T N -0.393 114.104 114.554 -0.096 0.000 2.904 123 T HA -0.188 4.161 4.350 -0.002 0.000 0.267 123 T C 1.967 176.615 174.700 -0.086 0.000 1.059 123 T CA 1.102 63.164 62.100 -0.063 0.000 1.137 123 T CB -0.086 68.765 68.868 -0.028 0.000 0.879 123 T HN -0.031 nan 8.240 nan 0.000 0.467 124 Q N 1.086 120.819 119.800 -0.113 0.000 2.079 124 Q HA 0.004 4.343 4.340 -0.002 0.000 0.200 124 Q C 2.152 178.057 176.000 -0.158 0.000 0.974 124 Q CA 1.091 56.826 55.803 -0.113 0.000 0.840 124 Q CB -0.905 27.776 28.738 -0.096 0.000 0.898 124 Q HN 0.467 nan 8.270 nan 0.000 0.430 125 L N 0.470 121.533 121.223 -0.268 0.000 2.079 125 L HA -0.133 4.206 4.340 -0.002 0.000 0.210 125 L C 2.117 178.881 176.870 -0.177 0.000 1.081 125 L CA 2.521 57.166 54.840 -0.324 0.000 0.752 125 L CB -1.072 40.647 42.059 -0.567 0.000 0.896 125 L HN 0.461 nan 8.230 nan 0.000 0.433 126 S N -2.176 113.453 115.700 -0.118 0.000 2.496 126 S HA -0.076 4.393 4.470 -0.002 0.000 0.224 126 S C 1.592 176.188 174.600 -0.007 0.000 0.996 126 S CA 0.496 58.672 58.200 -0.039 0.000 0.927 126 S CB -0.297 62.890 63.200 -0.020 0.000 0.774 126 S HN 0.700 nan 8.310 nan 0.000 0.524 127 Q N 0.701 120.488 119.800 -0.022 0.000 2.219 127 Q HA 0.466 4.805 4.340 -0.002 0.000 0.209 127 Q C 0.195 176.205 176.000 0.017 0.000 0.854 127 Q CA -0.107 55.694 55.803 -0.004 0.000 0.960 127 Q CB 0.705 29.431 28.738 -0.021 0.000 1.116 127 Q HN 0.648 nan 8.270 nan 0.000 0.500 128 A N 2.982 125.824 122.820 0.037 0.000 2.537 128 A HA 0.176 4.494 4.320 -0.002 0.000 0.260 128 A C -2.214 175.480 177.584 0.184 0.000 1.082 128 A CA -0.890 51.200 52.037 0.089 0.000 0.765 128 A CB -0.322 18.703 19.000 0.042 0.000 1.019 128 A HN 0.004 nan 8.150 nan 0.000 0.507 129 P HA 0.049 nan 4.420 nan 0.000 0.261 129 P C 0.760 178.077 177.300 0.029 0.000 1.183 129 P CA 0.081 63.212 63.100 0.051 0.000 0.761 129 P CB 0.558 32.272 31.700 0.023 0.000 0.785 130 R N 3.404 123.815 120.500 -0.148 0.000 2.115 130 R HA -0.109 4.230 4.340 -0.002 0.000 0.226 130 R C 1.243 177.277 176.300 -0.444 0.000 1.100 130 R CA 1.839 57.619 56.100 -0.532 0.000 0.980 130 R CB -0.400 29.662 30.300 -0.398 0.000 0.875 130 R HN 0.400 nan 8.270 nan 0.000 0.445 131 Q N -0.700 118.990 119.800 -0.183 0.000 2.320 131 Q HA 0.307 4.646 4.340 -0.002 0.000 0.201 131 Q C 0.102 176.087 176.000 -0.026 0.000 0.910 131 Q CA 0.431 56.172 55.803 -0.102 0.000 0.946 131 Q CB 0.936 29.636 28.738 -0.064 0.000 1.062 131 Q HN 0.328 nan 8.270 nan 0.000 0.503 132 G N 0.154 108.963 108.800 0.015 0.000 2.414 132 G HA2 -0.007 3.952 3.960 -0.002 0.000 0.236 132 G HA3 -0.007 3.952 3.960 -0.002 0.000 0.236 132 G C 0.501 175.441 174.900 0.066 0.000 1.293 132 G CA -0.329 44.807 45.100 0.060 0.000 0.869 132 G HN 0.335 nan 8.290 nan 0.000 0.556 133 L N 1.288 122.531 121.223 0.034 0.000 2.362 133 L HA 0.037 4.375 4.340 -0.002 0.000 0.219 133 L C 1.672 178.551 176.870 0.015 0.000 1.134 133 L CA 0.761 55.609 54.840 0.014 0.000 0.807 133 L CB -0.187 41.861 42.059 -0.018 0.000 0.927 133 L HN 0.443 nan 8.230 nan 0.000 0.447 134 L N -1.357 119.879 121.223 0.021 0.000 3.110 134 L HA 0.144 4.483 4.340 -0.002 0.000 0.266 134 L C 0.081 176.962 176.870 0.019 0.000 1.257 134 L CA -0.645 54.194 54.840 -0.001 0.000 1.038 134 L CB -0.163 41.873 42.059 -0.040 0.000 1.395 134 L HN 0.050 nan 8.230 nan 0.000 0.566 135 Y N 1.601 121.876 120.300 -0.042 0.000 2.846 135 Y HA 0.114 4.663 4.550 -0.002 0.000 0.352 135 Y C 1.457 177.331 175.900 -0.043 0.000 1.298 135 Y CA 1.230 59.306 58.100 -0.041 0.000 1.634 135 Y CB 0.263 38.706 38.460 -0.029 0.000 1.214 135 Y HN 0.406 nan 8.280 nan 0.000 0.529 136 G N 3.381 111.790 108.800 -0.652 0.000 2.176 136 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.253 136 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.253 136 G C -0.271 174.452 174.900 -0.295 0.000 0.979 136 G CA 0.012 44.754 45.100 -0.598 0.000 0.641 136 G HN 0.727 nan 8.290 nan 0.000 0.530 137 V N 2.890 122.678 119.914 -0.210 0.000 2.470 137 V HA 0.382 4.501 4.120 -0.002 0.000 0.276 137 V C -1.562 174.431 176.094 -0.169 0.000 1.040 137 V CA -1.105 61.090 62.300 -0.175 0.000 1.008 137 V CB 1.236 32.980 31.823 -0.133 0.000 0.990 137 V HN 0.146 nan 8.190 nan 0.000 0.477 138 P HA 0.247 nan 4.420 nan 0.000 0.276 138 P C -0.824 176.463 177.300 -0.022 0.000 1.235 138 P CA 0.005 62.988 63.100 -0.196 0.000 0.772 138 P CB 0.807 32.115 31.700 -0.654 0.000 0.871 139 V N 3.128 123.165 119.914 0.205 0.000 2.540 139 V HA 0.374 4.493 4.120 -0.002 0.000 0.302 139 V C 0.162 176.303 176.094 0.078 0.000 1.035 139 V CA -0.556 61.806 62.300 0.103 0.000 0.873 139 V CB 1.937 33.744 31.823 -0.028 0.000 0.992 139 V HN 0.583 nan 8.190 nan 0.000 0.428 140 S N 5.600 121.265 115.700 -0.059 0.000 2.585 140 S HA 0.827 5.295 4.470 -0.002 0.000 0.277 140 S C -0.737 173.740 174.600 -0.206 0.000 1.241 140 S CA -0.716 57.313 58.200 -0.285 0.000 1.041 140 S CB 1.298 64.344 63.200 -0.258 0.000 0.987 140 S HN 0.521 nan 8.310 nan 0.000 0.512 141 L N 1.874 122.986 121.223 -0.185 0.000 2.381 141 L HA 0.500 4.839 4.340 -0.002 0.000 0.274 141 L C 0.173 177.113 176.870 0.116 0.000 0.988 141 L CA -0.839 53.956 54.840 -0.075 0.000 0.824 141 L CB 1.932 43.996 42.059 0.008 0.000 1.263 141 L HN 0.749 nan 8.230 nan 0.000 0.410 142 K N 2.230 122.750 120.400 0.199 0.000 2.527 142 K HA -0.084 4.235 4.320 -0.002 0.000 0.278 142 K C 1.068 177.761 176.600 0.154 0.000 0.981 142 K CA 0.209 56.630 56.287 0.224 0.000 1.009 142 K CB 0.676 33.372 32.500 0.325 0.000 0.895 142 K HN 0.641 nan 8.250 nan 0.000 0.493 143 E N 2.507 122.632 120.200 -0.124 0.000 2.331 143 E HA -0.197 4.151 4.350 -0.002 0.000 0.199 143 E C 1.410 177.736 176.600 -0.456 0.000 1.008 143 E CA 1.380 57.446 56.400 -0.557 0.000 0.843 143 E CB -0.067 29.441 29.700 -0.320 0.000 0.761 143 E HN 0.785 nan 8.360 nan 0.000 0.507 144 C N -0.572 118.621 119.300 -0.179 0.000 2.500 144 C HA 0.173 4.632 4.460 -0.002 0.000 0.273 144 C C 1.031 175.920 174.990 -0.169 0.000 1.428 144 C CA -0.816 58.099 59.018 -0.171 0.000 1.766 144 C CB -1.678 25.940 27.740 -0.202 0.000 1.817 144 C HN 0.021 nan 8.230 nan 0.000 0.543 145 F N 3.283 123.246 119.950 0.021 0.000 2.462 145 F HA 0.267 4.793 4.527 -0.002 0.000 0.360 145 F C 1.070 177.013 175.800 0.238 0.000 1.134 145 F CA 0.178 58.256 58.000 0.130 0.000 1.148 145 F CB 0.125 39.217 39.000 0.153 0.000 1.147 145 F HN 0.050 nan 8.300 nan 0.000 0.550 146 S N 3.853 119.725 115.700 0.287 0.000 2.544 146 S HA -0.022 4.447 4.470 -0.002 0.000 0.290 146 S C -0.761 174.029 174.600 0.318 0.000 1.276 146 S CA 0.100 58.462 58.200 0.269 0.000 1.075 146 S CB -0.077 63.215 63.200 0.154 0.000 0.849 146 S HN 0.496 nan 8.310 nan 0.000 0.494 147 Y N 2.766 123.190 120.300 0.206 0.000 2.338 147 Y HA 0.313 4.862 4.550 -0.002 0.000 0.333 147 Y C 0.073 176.045 175.900 0.119 0.000 0.968 147 Y CA -0.942 57.205 58.100 0.077 0.000 1.123 147 Y CB 0.932 39.300 38.460 -0.153 0.000 1.165 147 Y HN 0.560 nan 8.280 nan 0.000 0.452 148 K N 3.824 124.135 120.400 -0.148 0.000 2.466 148 K HA 0.206 4.524 4.320 -0.002 0.000 0.278 148 K C 0.956 177.675 176.600 0.199 0.000 1.048 148 K CA 1.705 57.986 56.287 -0.009 0.000 1.088 148 K CB -0.304 32.117 32.500 -0.132 0.000 0.884 148 K HN 1.117 nan 8.250 nan 0.000 0.478 149 G N 3.235 112.130 108.800 0.159 0.000 2.194 149 G HA2 -0.198 3.760 3.960 -0.002 0.000 0.236 149 G HA3 -0.198 3.760 3.960 -0.002 0.000 0.236 149 G C -0.232 174.656 174.900 -0.020 0.000 0.987 149 G CA -0.128 45.022 45.100 0.082 0.000 0.635 149 G HN 0.774 nan 8.290 nan 0.000 0.520 150 H N 0.719 119.884 119.070 0.158 0.000 2.572 150 H HA 0.404 4.959 4.556 -0.002 0.000 0.359 150 H C -0.771 174.679 175.328 0.203 0.000 1.134 150 H CA -0.842 55.314 56.048 0.180 0.000 1.187 150 H CB 1.653 31.525 29.762 0.182 0.000 1.597 150 H HN 0.142 nan 8.280 nan 0.000 0.524 151 D N 0.802 121.369 120.400 0.279 0.000 2.382 151 D HA 0.057 4.696 4.640 -0.002 0.000 0.240 151 D C -0.170 176.270 176.300 0.234 0.000 1.146 151 D CA 0.370 54.503 54.000 0.222 0.000 0.897 151 D CB 0.817 41.739 40.800 0.203 0.000 1.197 151 D HN 0.292 nan 8.370 nan 0.000 0.432 152 S N -0.028 115.760 115.700 0.146 0.000 2.269 152 S HA 0.121 4.590 4.470 -0.002 0.000 0.194 152 S C 1.331 175.969 174.600 0.064 0.000 1.547 152 S CA -0.593 57.643 58.200 0.059 0.000 1.186 152 S CB 0.670 63.894 63.200 0.039 0.000 1.069 152 S HN 0.528 nan 8.310 nan 0.000 0.473 153 T N 0.249 114.866 114.554 0.105 0.000 2.857 153 T HA 0.020 4.369 4.350 -0.002 0.000 0.266 153 T C 1.064 175.795 174.700 0.051 0.000 1.048 153 T CA 0.478 62.637 62.100 0.100 0.000 1.139 153 T CB -0.698 68.276 68.868 0.176 0.000 0.874 153 T HN 0.602 nan 8.240 nan 0.000 0.455 154 L N 0.445 121.703 121.223 0.058 0.000 4.232 154 L HA -0.213 4.126 4.340 -0.002 0.000 0.415 154 L C 1.384 178.286 176.870 0.054 0.000 1.168 154 L CA 0.278 55.141 54.840 0.038 0.000 0.966 154 L CB -2.675 39.383 42.059 -0.001 0.000 2.052 154 L HN 0.711 nan 8.230 nan 0.000 0.887 155 G N -0.495 108.370 108.800 0.107 0.000 2.168 155 G HA2 -0.314 3.645 3.960 -0.002 0.000 0.263 155 G HA3 -0.314 3.645 3.960 -0.002 0.000 0.263 155 G C 0.093 174.982 174.900 -0.019 0.000 0.977 155 G CA 0.649 45.794 45.100 0.075 0.000 0.659 155 G HN 0.362 nan 8.290 nan 0.000 0.533 156 L N 0.571 121.755 121.223 -0.065 0.000 2.307 156 L HA 0.479 4.818 4.340 -0.002 0.000 0.284 156 L C 1.722 178.535 176.870 -0.095 0.000 1.023 156 L CA -0.440 54.315 54.840 -0.142 0.000 0.810 156 L CB 1.726 43.642 42.059 -0.238 0.000 1.231 156 L HN 0.043 nan 8.230 nan 0.000 0.423 157 S N 2.497 118.146 115.700 -0.086 0.000 2.400 157 S HA -0.170 4.299 4.470 -0.002 0.000 0.232 157 S C 1.696 176.261 174.600 -0.058 0.000 1.025 157 S CA 1.600 59.764 58.200 -0.060 0.000 0.993 157 S CB -0.282 62.891 63.200 -0.045 0.000 0.808 157 S HN 0.720 nan 8.310 nan 0.000 0.478 158 L N 0.253 121.429 121.223 -0.079 0.000 2.275 158 L HA 0.085 4.424 4.340 -0.002 0.000 0.215 158 L C 1.098 177.946 176.870 -0.036 0.000 1.119 158 L CA 1.346 56.149 54.840 -0.061 0.000 0.790 158 L CB -0.388 41.624 42.059 -0.078 0.000 0.919 158 L HN 0.100 nan 8.230 nan 0.000 0.443 159 N N 0.167 118.847 118.700 -0.033 0.000 2.280 159 N HA 0.032 4.771 4.740 -0.002 0.000 0.192 159 N C 0.140 175.663 175.510 0.022 0.000 1.109 159 N CA 0.189 53.239 53.050 0.001 0.000 0.855 159 N CB 0.053 38.544 38.487 0.006 0.000 0.974 159 N HN 0.452 nan 8.380 nan 0.000 0.482 160 E N 0.616 120.820 120.200 0.006 0.000 2.289 160 E HA 0.252 4.601 4.350 -0.002 0.000 0.278 160 E C 0.522 177.134 176.600 0.021 0.000 1.032 160 E CA -0.029 56.380 56.400 0.015 0.000 0.854 160 E CB 0.594 30.281 29.700 -0.022 0.000 1.046 160 E HN 0.394 nan 8.360 nan 0.000 0.409 161 G N 4.922 113.746 108.800 0.039 0.000 2.198 161 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.257 161 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.257 161 G C 0.257 175.176 174.900 0.032 0.000 1.042 161 G CA 0.451 45.571 45.100 0.033 0.000 0.791 161 G HN 0.416 nan 8.290 nan 0.000 0.502 162 M N 0.792 120.418 119.600 0.044 0.000 2.693 162 M HA 0.221 4.700 4.480 -0.002 0.000 0.224 162 M C -2.592 173.745 176.300 0.060 0.000 1.149 162 M CA -1.333 53.992 55.300 0.042 0.000 0.622 162 M CB 1.241 33.863 32.600 0.036 0.000 1.443 162 M HN 0.021 nan 8.290 nan 0.000 0.431 163 P HA 0.079 nan 4.420 nan 0.000 0.271 163 P C 0.233 177.584 177.300 0.085 0.000 1.216 163 P CA 0.171 63.320 63.100 0.082 0.000 0.776 163 P CB 0.761 32.491 31.700 0.049 0.000 0.881 164 S N 1.474 117.249 115.700 0.124 0.000 2.568 164 S HA -0.013 4.456 4.470 -0.002 0.000 0.282 164 S C 0.859 175.503 174.600 0.073 0.000 1.338 164 S CA 0.007 58.271 58.200 0.107 0.000 1.045 164 S CB -0.138 63.153 63.200 0.153 0.000 0.873 164 S HN 0.410 nan 8.310 nan 0.000 0.516 165 E N 1.449 121.675 120.200 0.043 0.000 2.481 165 E HA 0.164 4.513 4.350 -0.002 0.000 0.198 165 E C -0.204 176.395 176.600 -0.001 0.000 1.027 165 E CA -0.053 56.359 56.400 0.020 0.000 0.900 165 E CB 0.543 30.251 29.700 0.013 0.000 0.993 165 E HN 0.712 nan 8.360 nan 0.000 0.482 166 S N 0.054 115.753 115.700 -0.002 0.000 2.567 166 S HA 0.250 4.719 4.470 -0.002 0.000 0.270 166 S C -1.275 173.297 174.600 -0.048 0.000 1.152 166 S CA -1.205 56.972 58.200 -0.038 0.000 0.835 166 S CB 1.657 64.841 63.200 -0.026 0.000 1.115 166 S HN -0.186 nan 8.310 nan 0.000 0.459 167 D N 1.736 122.065 120.400 -0.119 0.000 2.424 167 D HA 0.323 4.961 4.640 -0.002 0.000 0.244 167 D C 1.088 177.383 176.300 -0.008 0.000 1.134 167 D CA -0.289 53.640 54.000 -0.119 0.000 0.881 167 D CB 0.396 41.065 40.800 -0.219 0.000 1.191 167 D HN 0.891 nan 8.370 nan 0.000 0.445 168 C N 0.329 119.672 119.300 0.071 0.000 2.705 168 C HA 0.142 4.601 4.460 -0.002 0.000 0.365 168 C C 2.186 177.226 174.990 0.084 0.000 1.353 168 C CA -0.914 58.166 59.018 0.103 0.000 2.339 168 C CB -0.075 27.774 27.740 0.183 0.000 2.576 168 C HN 0.493 nan 8.230 nan 0.000 0.716 169 V N 2.319 122.285 119.914 0.086 0.000 2.287 169 V HA -0.203 3.916 4.120 -0.002 0.000 0.248 169 V C 2.631 178.765 176.094 0.066 0.000 1.053 169 V CA 2.671 65.010 62.300 0.066 0.000 1.027 169 V CB -0.886 30.982 31.823 0.075 0.000 0.646 169 V HN 0.995 nan 8.190 nan 0.000 0.447 170 V N -2.155 117.827 119.914 0.113 0.000 2.515 170 V HA -0.146 3.973 4.120 -0.002 0.000 0.250 170 V C 2.202 178.316 176.094 0.034 0.000 1.058 170 V CA 1.795 64.146 62.300 0.084 0.000 1.064 170 V CB -0.895 31.009 31.823 0.135 0.000 0.675 170 V HN 0.308 nan 8.190 nan 0.000 0.461 171 V N 0.524 120.476 119.914 0.063 0.000 2.427 171 V HA -0.261 3.858 4.120 -0.002 0.000 0.248 171 V C 2.838 178.920 176.094 -0.020 0.000 1.051 171 V CA 2.408 64.726 62.300 0.030 0.000 1.048 171 V CB -0.830 31.047 31.823 0.091 0.000 0.666 171 V HN 0.574 nan 8.190 nan 0.000 0.456 172 Q N -0.484 119.297 119.800 -0.032 0.000 2.050 172 Q HA -0.174 4.165 4.340 -0.002 0.000 0.202 172 Q C 2.364 178.310 176.000 -0.089 0.000 0.980 172 Q CA 1.889 57.650 55.803 -0.070 0.000 0.840 172 Q CB -0.365 28.337 28.738 -0.060 0.000 0.898 172 Q HN 0.540 nan 8.270 nan 0.000 0.424 173 V N 1.219 121.097 119.914 -0.061 0.000 2.295 173 V HA -0.265 3.854 4.120 -0.002 0.000 0.246 173 V C 2.246 178.300 176.094 -0.067 0.000 1.049 173 V CA 1.531 63.792 62.300 -0.065 0.000 1.024 173 V CB -0.578 31.227 31.823 -0.030 0.000 0.648 173 V HN 0.339 nan 8.190 nan 0.000 0.447 174 L N -0.445 120.745 121.223 -0.055 0.000 2.013 174 L HA -0.265 4.074 4.340 -0.002 0.000 0.212 174 L C 2.629 179.465 176.870 -0.057 0.000 1.073 174 L CA 1.931 56.737 54.840 -0.056 0.000 0.753 174 L CB -0.603 41.421 42.059 -0.058 0.000 0.890 174 L HN 0.298 nan 8.230 nan 0.000 0.432 175 K N -0.146 120.217 120.400 -0.063 0.000 2.097 175 K HA -0.119 4.200 4.320 -0.002 0.000 0.205 175 K C 2.039 178.585 176.600 -0.090 0.000 1.050 175 K CA 1.038 57.283 56.287 -0.068 0.000 0.938 175 K CB -0.141 32.316 32.500 -0.072 0.000 0.718 175 K HN 0.255 nan 8.250 nan 0.000 0.442 176 L N 0.922 122.058 121.223 -0.146 0.000 2.275 176 L HA -0.137 4.202 4.340 -0.002 0.000 0.215 176 L C 1.834 178.647 176.870 -0.096 0.000 1.119 176 L CA 0.743 55.448 54.840 -0.226 0.000 0.790 176 L CB -0.094 41.616 42.059 -0.581 0.000 0.919 176 L HN 0.153 nan 8.230 nan 0.000 0.443 177 Q N -0.009 119.766 119.800 -0.042 0.000 2.280 177 Q HA 0.126 4.465 4.340 -0.002 0.000 0.202 177 Q C 1.367 177.384 176.000 0.028 0.000 0.903 177 Q CA 0.704 56.512 55.803 0.009 0.000 0.948 177 Q CB 0.698 29.434 28.738 -0.002 0.000 1.058 177 Q HN 0.541 nan 8.270 nan 0.000 0.493 178 G N 0.519 109.334 108.800 0.025 0.000 2.159 178 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.256 178 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.256 178 G C 0.366 175.246 174.900 -0.033 0.000 0.977 178 G CA 0.199 45.340 45.100 0.069 0.000 0.652 178 G HN 0.574 nan 8.290 nan 0.000 0.531 179 A N -0.584 122.205 122.820 -0.051 0.000 2.304 179 A HA 0.730 5.049 4.320 -0.002 0.000 0.271 179 A C 0.410 177.944 177.584 -0.083 0.000 1.091 179 A CA 0.315 52.304 52.037 -0.080 0.000 0.812 179 A CB 1.286 20.248 19.000 -0.064 0.000 1.056 179 A HN 1.161 nan 8.150 nan 0.000 0.489 180 V N 3.175 123.038 119.914 -0.084 0.000 2.235 180 V HA 0.235 4.353 4.120 -0.002 0.000 0.266 180 V C -2.514 173.613 176.094 0.055 0.000 1.055 180 V CA -1.434 60.823 62.300 -0.072 0.000 0.844 180 V CB 0.594 32.311 31.823 -0.177 0.000 1.097 180 V HN 0.696 nan 8.190 nan 0.000 0.453 181 P HA 0.054 nan 4.420 nan 0.000 0.261 181 P C 0.123 177.434 177.300 0.019 0.000 1.183 181 P CA 0.391 63.506 63.100 0.025 0.000 0.761 181 P CB 0.238 31.947 31.700 0.016 0.000 0.785 182 F N 3.526 123.383 119.950 -0.156 0.000 2.784 182 F HA 0.348 4.874 4.527 -0.002 0.000 0.316 182 F C -0.232 175.509 175.800 -0.098 0.000 1.026 182 F CA -0.255 57.712 58.000 -0.055 0.000 1.188 182 F CB 0.079 39.210 39.000 0.219 0.000 0.999 182 F HN 0.097 nan 8.300 nan 0.000 0.605 183 V N -1.285 118.188 119.914 -0.735 0.000 3.049 183 V HA 0.532 4.651 4.120 -0.002 0.000 0.309 183 V C -1.287 174.556 176.094 -0.418 0.000 1.148 183 V CA -0.991 60.982 62.300 -0.545 0.000 0.990 183 V CB 1.351 32.832 31.823 -0.570 0.000 1.039 183 V HN 0.292 nan 8.190 nan 0.000 0.430 184 H N 1.474 120.354 119.070 -0.317 0.000 2.489 184 H HA 0.679 5.234 4.556 -0.002 0.000 0.322 184 H C 0.159 175.358 175.328 -0.215 0.000 1.091 184 H CA 0.066 55.978 56.048 -0.227 0.000 1.291 184 H CB 1.704 31.363 29.762 -0.172 0.000 1.436 184 H HN 1.031 nan 8.280 nan 0.000 0.480 185 T N 0.845 115.380 114.554 -0.032 0.000 2.918 185 T HA 0.172 4.521 4.350 -0.002 0.000 0.286 185 T C 0.298 174.948 174.700 -0.084 0.000 1.026 185 T CA -1.195 60.857 62.100 -0.080 0.000 1.031 185 T CB 1.578 70.409 68.868 -0.062 0.000 1.046 185 T HN 0.428 nan 8.240 nan 0.000 0.479 186 N N 0.418 119.068 118.700 -0.084 0.000 2.453 186 N HA 0.390 5.129 4.740 -0.002 0.000 0.253 186 N C -0.432 175.081 175.510 0.005 0.000 1.252 186 N CA -0.198 52.820 53.050 -0.054 0.000 0.917 186 N CB 0.555 39.031 38.487 -0.020 0.000 1.117 186 N HN 0.807 nan 8.380 nan 0.000 0.442 187 V N -0.155 119.783 119.914 0.039 0.000 3.007 187 V HA 0.755 4.874 4.120 -0.002 0.000 0.311 187 V C -2.669 173.477 176.094 0.085 0.000 1.120 187 V CA -2.111 60.223 62.300 0.058 0.000 0.980 187 V CB 2.003 33.856 31.823 0.050 0.000 1.033 187 V HN 0.605 nan 8.190 nan 0.000 0.429 188 P HA 0.107 nan 4.420 nan 0.000 0.272 188 P C -0.551 176.830 177.300 0.135 0.000 1.223 188 P CA -0.043 63.118 63.100 0.100 0.000 0.784 188 P CB 0.549 32.299 31.700 0.085 0.000 0.923 189 Q N 1.998 121.891 119.800 0.154 0.000 2.262 189 Q HA 0.010 4.349 4.340 -0.002 0.000 0.298 189 Q C 0.749 176.883 176.000 0.223 0.000 1.083 189 Q CA 1.366 57.265 55.803 0.161 0.000 0.962 189 Q CB -0.234 28.624 28.738 0.200 0.000 1.104 189 Q HN 0.725 nan 8.270 nan 0.000 0.376 190 S N 3.325 119.093 115.700 0.113 0.000 2.427 190 S HA -0.343 4.125 4.470 -0.002 0.000 0.253 190 S C 0.702 175.454 174.600 0.254 0.000 1.246 190 S CA 1.463 59.755 58.200 0.153 0.000 1.421 190 S CB -1.643 61.743 63.200 0.312 0.000 1.769 190 S HN 1.024 nan 8.310 nan 0.000 0.620 191 M N -2.521 117.216 119.600 0.228 0.000 2.931 191 M HA -0.213 4.266 4.480 -0.002 0.000 0.190 191 M C 0.147 176.596 176.300 0.249 0.000 0.626 191 M CA 1.534 56.949 55.300 0.192 0.000 0.722 191 M CB -2.095 30.581 32.600 0.126 0.000 2.597 191 M HN 0.566 nan 8.290 nan 0.000 0.299 192 F N 2.176 122.248 119.950 0.203 0.000 2.606 192 F HA 0.517 5.043 4.527 -0.002 0.000 0.347 192 F C 0.393 176.276 175.800 0.139 0.000 1.207 192 F CA 0.571 58.656 58.000 0.141 0.000 1.306 192 F CB 0.444 39.497 39.000 0.088 0.000 1.657 192 F HN 0.072 nan 8.300 nan 0.000 0.606 193 S N 2.472 118.145 115.700 -0.046 0.000 2.580 193 S HA 0.184 4.653 4.470 -0.002 0.000 0.281 193 S C -0.638 173.940 174.600 -0.036 0.000 1.129 193 S CA -0.634 57.539 58.200 -0.045 0.000 0.862 193 S CB 0.354 63.573 63.200 0.032 0.000 1.090 193 S HN 0.449 nan 8.310 nan 0.000 0.451 194 Y N 1.498 121.633 120.300 -0.275 0.000 2.658 194 Y HA 0.585 5.134 4.550 -0.002 0.000 0.276 194 Y C 0.230 175.986 175.900 -0.239 0.000 1.167 194 Y CA -0.634 57.239 58.100 -0.378 0.000 1.230 194 Y CB 0.043 37.886 38.460 -1.028 0.000 1.144 194 Y HN 0.496 nan 8.280 nan 0.000 0.529 195 D N -0.057 120.183 120.400 -0.267 0.000 2.560 195 D HA 0.310 4.949 4.640 -0.002 0.000 0.277 195 D C -0.632 175.650 176.300 -0.031 0.000 1.194 195 D CA -0.748 53.166 54.000 -0.143 0.000 1.092 195 D CB 2.043 42.745 40.800 -0.163 0.000 1.169 195 D HN 0.187 nan 8.370 nan 0.000 0.607 196 C N 1.126 120.427 119.300 0.002 0.000 3.104 196 C HA 0.493 4.952 4.460 -0.002 0.000 0.206 196 C C -0.764 174.253 174.990 0.045 0.000 1.429 196 C CA -0.253 58.786 59.018 0.035 0.000 1.105 196 C CB -1.467 26.300 27.740 0.045 0.000 1.904 196 C HN 0.355 nan 8.230 nan 0.000 0.626 197 S N 2.224 117.952 115.700 0.046 0.000 2.542 197 S HA 0.853 5.322 4.470 -0.002 0.000 0.293 197 S C -0.741 173.907 174.600 0.080 0.000 1.089 197 S CA -0.324 57.910 58.200 0.057 0.000 0.961 197 S CB 1.156 64.376 63.200 0.033 0.000 1.062 197 S HN 0.866 nan 8.310 nan 0.000 0.483 198 N N 2.279 121.033 118.700 0.090 0.000 2.357 198 N HA 0.580 5.318 4.740 -0.002 0.000 0.284 198 N C -2.788 172.748 175.510 0.043 0.000 1.236 198 N CA -1.676 51.428 53.050 0.089 0.000 0.774 198 N CB 1.277 39.833 38.487 0.115 0.000 1.534 198 N HN 0.162 nan 8.380 nan 0.000 0.478 199 P HA -0.015 nan 4.420 nan 0.000 0.225 199 P C 0.590 177.837 177.300 -0.088 0.000 1.148 199 P CA 0.826 63.905 63.100 -0.035 0.000 0.779 199 P CB 0.283 32.009 31.700 0.042 0.000 0.780 200 L N -2.901 118.239 121.223 -0.138 0.000 2.121 200 L HA 0.058 4.397 4.340 -0.002 0.000 0.200 200 L C 1.818 178.408 176.870 -0.467 0.000 1.077 200 L CA 1.291 55.904 54.840 -0.378 0.000 0.766 200 L CB -0.593 41.105 42.059 -0.600 0.000 0.931 200 L HN -0.103 nan 8.230 nan 0.000 0.452 201 F N -0.511 119.449 119.950 0.017 0.000 2.731 201 F HA 0.369 4.895 4.527 -0.001 0.000 0.298 201 F C 1.457 177.259 175.800 0.003 0.000 1.106 201 F CA 0.331 58.339 58.000 0.014 0.000 1.329 201 F CB 0.265 39.279 39.000 0.022 0.000 1.100 201 F HN 0.192 nan 8.300 nan 0.000 0.592 202 G N 0.847 109.721 108.800 0.123 0.000 2.527 202 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.227 202 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.227 202 G C -0.726 174.220 174.900 0.077 0.000 1.291 202 G CA -0.561 44.579 45.100 0.067 0.000 0.904 202 G HN 0.295 nan 8.290 nan 0.000 0.577 203 Q N 0.057 119.885 119.800 0.046 0.000 2.307 203 Q HA 0.612 4.951 4.340 -0.002 0.000 0.262 203 Q C -0.355 175.665 176.000 0.033 0.000 0.961 203 Q CA -0.332 55.492 55.803 0.035 0.000 0.882 203 Q CB 1.023 29.771 28.738 0.016 0.000 1.264 203 Q HN 0.628 nan 8.270 nan 0.000 0.446 204 T N 4.754 119.331 114.554 0.037 0.000 2.845 204 T HA 0.431 4.780 4.350 -0.002 0.000 0.288 204 T C -0.149 174.573 174.700 0.037 0.000 0.980 204 T CA -0.199 61.921 62.100 0.033 0.000 1.071 204 T CB 0.583 69.473 68.868 0.037 0.000 0.941 204 T HN 0.567 nan 8.240 nan 0.000 0.487 205 M N 2.808 122.428 119.600 0.033 0.000 2.578 205 M HA 0.361 4.840 4.480 -0.002 0.000 0.321 205 M C 0.471 176.811 176.300 0.068 0.000 1.182 205 M CA -0.957 54.368 55.300 0.041 0.000 0.965 205 M CB 1.197 33.810 32.600 0.022 0.000 1.694 205 M HN 0.427 nan 8.290 nan 0.000 0.461 206 N N 3.338 122.095 118.700 0.094 0.000 2.468 206 N HA 0.112 4.851 4.740 -0.002 0.000 0.265 206 N C -1.856 173.737 175.510 0.139 0.000 1.199 206 N CA -1.159 51.982 53.050 0.152 0.000 0.928 206 N CB 1.107 39.695 38.487 0.170 0.000 1.059 206 N HN 0.378 nan 8.380 nan 0.000 0.467 207 P HA -0.072 nan 4.420 nan 0.000 0.225 207 P C 0.713 177.995 177.300 -0.031 0.000 1.148 207 P CA 1.085 64.194 63.100 0.015 0.000 0.779 207 P CB 0.011 31.680 31.700 -0.052 0.000 0.780 208 W N 0.902 122.209 121.300 0.012 0.000 2.576 208 W HA 0.183 4.842 4.660 -0.002 0.000 0.270 208 W C 1.093 177.608 176.519 -0.007 0.000 1.255 208 W CA 0.499 57.846 57.345 0.004 0.000 1.314 208 W CB 0.185 29.648 29.460 0.006 0.000 1.101 208 W HN -0.109 nan 8.180 nan 0.000 0.595 209 K N -0.189 120.329 120.400 0.196 0.000 2.578 209 K HA 0.050 4.369 4.320 -0.002 0.000 0.263 209 K C 0.633 177.272 176.600 0.065 0.000 0.973 209 K CA 0.301 56.649 56.287 0.102 0.000 0.909 209 K CB 0.866 33.422 32.500 0.094 0.000 1.326 209 K HN -0.139 nan 8.250 nan 0.000 0.440 210 S N 0.924 116.644 115.700 0.035 0.000 2.481 210 S HA -0.124 4.345 4.470 -0.002 0.000 0.231 210 S C 1.412 176.020 174.600 0.013 0.000 0.996 210 S CA 1.274 59.487 58.200 0.021 0.000 0.942 210 S CB -0.153 63.049 63.200 0.004 0.000 0.768 210 S HN 0.626 nan 8.310 nan 0.000 0.520 211 S N 0.544 116.249 115.700 0.008 0.000 2.561 211 S HA 0.209 4.678 4.470 -0.002 0.000 0.225 211 S C 0.553 175.148 174.600 -0.010 0.000 0.977 211 S CA -0.237 57.960 58.200 -0.004 0.000 0.926 211 S CB -0.191 63.003 63.200 -0.011 0.000 0.769 211 S HN 0.228 nan 8.310 nan 0.000 0.533 212 K N 1.854 122.255 120.400 0.002 0.000 2.118 212 K HA 0.442 4.760 4.320 -0.002 0.000 0.254 212 K C -0.214 176.400 176.600 0.024 0.000 0.961 212 K CA -0.384 55.897 56.287 -0.011 0.000 0.876 212 K CB 1.639 34.127 32.500 -0.020 0.000 1.077 212 K HN 0.174 nan 8.250 nan 0.000 0.440 213 S N 2.188 117.903 115.700 0.024 0.000 2.564 213 S HA 0.160 4.629 4.470 -0.002 0.000 0.278 213 S C -1.538 173.190 174.600 0.213 0.000 1.333 213 S CA -1.235 57.025 58.200 0.100 0.000 1.048 213 S CB 0.447 63.716 63.200 0.115 0.000 0.900 213 S HN 0.319 nan 8.310 nan 0.000 0.505 214 P HA 0.210 nan 4.420 nan 0.000 0.245 214 P C 0.837 178.318 177.300 0.301 0.000 1.212 214 P CA 0.699 63.948 63.100 0.248 0.000 0.774 214 P CB -0.688 31.104 31.700 0.153 0.000 0.999 215 G N -0.750 108.260 108.800 0.351 0.000 2.681 215 G HA2 0.225 4.184 3.960 -0.002 0.000 0.220 215 G HA3 0.225 4.184 3.960 -0.002 0.000 0.220 215 G C -0.218 174.695 174.900 0.021 0.000 1.353 215 G CA -0.538 44.579 45.100 0.029 0.000 0.872 215 G HN 0.652 nan 8.290 nan 0.000 0.557 216 G N -2.932 105.873 108.800 0.008 0.000 2.315 216 G HA2 0.654 4.613 3.960 -0.002 0.000 0.294 216 G HA3 0.654 4.613 3.960 -0.002 0.000 0.294 216 G C 0.870 175.840 174.900 0.118 0.000 1.300 216 G CA 0.952 46.085 45.100 0.055 0.000 0.843 216 G HN 2.258 nan 8.290 nan 0.000 0.527 217 S N -1.119 114.642 115.700 0.102 0.000 2.481 217 S HA 0.043 4.511 4.470 -0.002 0.000 0.231 217 S C 1.331 175.971 174.600 0.067 0.000 0.996 217 S CA 1.512 59.755 58.200 0.072 0.000 0.942 217 S CB -0.103 63.141 63.200 0.074 0.000 0.768 217 S HN 1.048 nan 8.310 nan 0.000 0.520 218 S N 1.641 117.384 115.700 0.071 0.000 3.324 218 S HA 0.422 4.891 4.470 -0.002 0.000 0.229 218 S C 1.366 176.002 174.600 0.059 0.000 1.417 218 S CA -0.160 58.081 58.200 0.069 0.000 1.211 218 S CB 0.069 63.318 63.200 0.082 0.000 1.157 218 S HN 0.641 nan 8.310 nan 0.000 0.491 219 G N 1.958 110.791 108.800 0.056 0.000 2.403 219 G HA2 0.015 3.973 3.960 -0.002 0.000 0.216 219 G HA3 0.015 3.973 3.960 -0.002 0.000 0.216 219 G C 1.330 176.263 174.900 0.055 0.000 1.154 219 G CA 0.411 45.547 45.100 0.061 0.000 0.784 219 G HN 0.610 nan 8.290 nan 0.000 0.538 220 G N 0.712 109.533 108.800 0.035 0.000 2.422 220 G HA2 -0.132 3.827 3.960 -0.002 0.000 0.218 220 G HA3 -0.132 3.827 3.960 -0.002 0.000 0.218 220 G C 1.639 176.547 174.900 0.013 0.000 1.146 220 G CA 1.041 46.150 45.100 0.014 0.000 0.769 220 G HN 0.333 nan 8.290 nan 0.000 0.547 221 E N 0.781 120.993 120.200 0.021 0.000 2.051 221 E HA -0.092 4.257 4.350 -0.002 0.000 0.192 221 E C 2.790 179.417 176.600 0.045 0.000 0.991 221 E CA 1.100 57.513 56.400 0.021 0.000 0.799 221 E CB -1.007 28.710 29.700 0.028 0.000 0.748 221 E HN 0.332 nan 8.360 nan 0.000 0.449 222 G N 1.366 110.204 108.800 0.063 0.000 2.491 222 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.218 222 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.218 222 G C 1.769 176.736 174.900 0.111 0.000 1.180 222 G CA 1.858 47.013 45.100 0.092 0.000 0.774 222 G HN 0.417 nan 8.290 nan 0.000 0.562 223 A N 0.147 123.025 122.820 0.097 0.000 1.902 223 A HA 0.066 4.385 4.320 -0.002 0.000 0.217 223 A C 2.393 180.014 177.584 0.062 0.000 1.181 223 A CA 1.803 53.893 52.037 0.089 0.000 0.623 223 A CB -0.465 18.573 19.000 0.064 0.000 0.818 223 A HN 0.451 nan 8.150 nan 0.000 0.443 224 L N -0.094 121.156 121.223 0.046 0.000 2.027 224 L HA -0.047 4.292 4.340 -0.002 0.000 0.206 224 L C 2.245 179.158 176.870 0.072 0.000 1.074 224 L CA 1.768 56.635 54.840 0.045 0.000 0.745 224 L CB -0.432 41.638 42.059 0.018 0.000 0.898 224 L HN 0.434 nan 8.230 nan 0.000 0.433 225 I N -0.642 119.971 120.570 0.071 0.000 2.252 225 I HA -0.151 4.018 4.170 -0.002 0.000 0.245 225 I C 2.375 178.551 176.117 0.098 0.000 1.102 225 I CA 1.190 62.540 61.300 0.083 0.000 1.385 225 I CB -1.079 36.959 38.000 0.064 0.000 1.064 225 I HN 0.389 nan 8.210 nan 0.000 0.414 226 G N 0.202 109.071 108.800 0.115 0.000 2.535 226 G HA2 -0.179 3.780 3.960 -0.002 0.000 0.218 226 G HA3 -0.179 3.780 3.960 -0.002 0.000 0.218 226 G C 1.435 176.375 174.900 0.067 0.000 1.122 226 G CA 1.006 46.202 45.100 0.159 0.000 0.769 226 G HN 0.526 nan 8.290 nan 0.000 0.549 227 S N -1.709 114.004 115.700 0.022 0.000 2.578 227 S HA 0.449 4.918 4.470 -0.002 0.000 0.231 227 S C 1.498 176.090 174.600 -0.014 0.000 0.994 227 S CA 0.731 58.899 58.200 -0.053 0.000 0.956 227 S CB 0.534 63.695 63.200 -0.064 0.000 0.870 227 S HN 1.341 nan 8.310 nan 0.000 0.494 228 G N 0.679 109.508 108.800 0.048 0.000 2.157 228 G HA2 -0.180 3.779 3.960 -0.002 0.000 0.239 228 G HA3 -0.180 3.779 3.960 -0.002 0.000 0.239 228 G C 0.835 175.840 174.900 0.176 0.000 0.982 228 G CA -0.057 45.096 45.100 0.089 0.000 0.650 228 G HN 0.954 nan 8.290 nan 0.000 0.527 229 G N -0.607 108.298 108.800 0.174 0.000 2.813 229 G HA2 0.441 4.400 3.960 -0.002 0.000 0.209 229 G HA3 0.441 4.400 3.960 -0.002 0.000 0.209 229 G C 0.479 175.615 174.900 0.393 0.000 1.150 229 G CA 1.551 46.802 45.100 0.251 0.000 0.785 229 G HN 1.580 nan 8.290 nan 0.000 0.535 230 S N -0.546 115.323 115.700 0.282 0.000 2.543 230 S HA 0.523 4.992 4.470 -0.002 0.000 0.273 230 S C -2.360 172.200 174.600 -0.066 0.000 1.152 230 S CA -0.930 57.324 58.200 0.089 0.000 0.910 230 S CB 2.440 65.732 63.200 0.153 0.000 1.105 230 S HN -0.097 nan 8.310 nan 0.000 0.465 231 P HA 0.255 nan 4.420 nan 0.000 0.235 231 P C -0.181 177.053 177.300 -0.110 0.000 1.177 231 P CA 0.207 63.178 63.100 -0.215 0.000 0.785 231 P CB 0.090 31.561 31.700 -0.383 0.000 0.885 232 L N -1.280 119.882 121.223 -0.103 0.000 2.591 232 L HA 0.764 5.103 4.340 -0.002 0.000 0.257 232 L C -1.219 175.615 176.870 -0.060 0.000 0.935 232 L CA -0.496 54.301 54.840 -0.071 0.000 0.873 232 L CB 1.746 43.752 42.059 -0.089 0.000 1.397 232 L HN 0.015 nan 8.230 nan 0.000 0.414 233 G N 3.157 111.919 108.800 -0.064 0.000 2.684 233 G HA2 0.673 4.632 3.960 -0.002 0.000 0.290 233 G HA3 0.673 4.632 3.960 -0.002 0.000 0.290 233 G C -2.171 172.662 174.900 -0.112 0.000 1.425 233 G CA -0.751 44.296 45.100 -0.089 0.000 0.822 233 G HN 0.638 nan 8.290 nan 0.000 0.482 234 L N 0.343 121.451 121.223 -0.192 0.000 2.346 234 L HA 0.791 5.130 4.340 -0.002 0.000 0.276 234 L C 0.637 177.523 176.870 0.027 0.000 1.006 234 L CA -0.723 53.983 54.840 -0.223 0.000 0.817 234 L CB 2.099 43.733 42.059 -0.709 0.000 1.272 234 L HN 0.795 nan 8.230 nan 0.000 0.421 235 G N 0.475 109.403 108.800 0.214 0.000 3.015 235 G HA2 0.785 4.744 3.960 -0.002 0.000 0.281 235 G HA3 0.785 4.744 3.960 -0.002 0.000 0.281 235 G C -0.950 174.138 174.900 0.315 0.000 1.386 235 G CA -0.328 44.951 45.100 0.299 0.000 0.959 235 G HN 0.526 nan 8.290 nan 0.000 0.522 236 T N -2.280 112.371 114.554 0.162 0.000 2.887 236 T HA 0.705 5.054 4.350 -0.002 0.000 0.292 236 T C -1.864 172.864 174.700 0.047 0.000 1.087 236 T CA -0.760 61.384 62.100 0.074 0.000 1.009 236 T CB 2.721 71.567 68.868 -0.037 0.000 1.203 236 T HN 0.494 nan 8.240 nan 0.000 0.518 237 D N 0.315 120.731 120.400 0.027 0.000 2.738 237 D HA 0.312 4.951 4.640 -0.002 0.000 0.218 237 D C -0.360 175.942 176.300 0.004 0.000 1.345 237 D CA -0.470 53.538 54.000 0.012 0.000 0.943 237 D CB 1.962 42.763 40.800 0.001 0.000 1.514 237 D HN 0.628 nan 8.370 nan 0.000 0.585 238 I N 1.637 122.208 120.570 0.000 0.000 4.323 238 I HA 0.281 4.449 4.170 -0.002 0.000 0.328 238 I C 1.192 177.290 176.117 -0.031 0.000 1.310 238 I CA 0.225 61.522 61.300 -0.005 0.000 1.186 238 I CB 0.872 38.887 38.000 0.024 0.000 1.130 238 I HN 0.468 nan 8.210 nan 0.000 0.411 239 G N -0.652 108.121 108.800 -0.044 0.000 4.213 239 G HA2 0.389 4.347 3.960 -0.002 0.000 0.274 239 G HA3 0.389 4.347 3.960 -0.002 0.000 0.274 239 G C 0.734 175.595 174.900 -0.064 0.000 1.033 239 G CA 0.469 45.533 45.100 -0.060 0.000 0.822 239 G HN 0.383 nan 8.290 nan 0.000 0.432 240 G N -0.167 108.560 108.800 -0.120 0.000 2.370 240 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.174 240 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.174 240 G C 1.090 175.879 174.900 -0.186 0.000 1.002 240 G CA 0.548 45.403 45.100 -0.409 0.000 0.730 240 G HN 0.282 nan 8.290 nan 0.000 0.497 241 S N -0.093 115.626 115.700 0.033 0.000 2.507 241 S HA 0.158 4.627 4.470 -0.002 0.000 0.235 241 S C 2.150 176.780 174.600 0.050 0.000 0.988 241 S CA 1.039 59.303 58.200 0.108 0.000 0.944 241 S CB -0.062 63.188 63.200 0.084 0.000 0.762 241 S HN 0.521 nan 8.310 nan 0.000 0.526 242 I N 0.491 121.060 120.570 -0.002 0.000 2.494 242 I HA -0.010 4.159 4.170 -0.002 0.000 0.250 242 I C 2.441 178.528 176.117 -0.051 0.000 1.112 242 I CA 0.736 62.034 61.300 -0.003 0.000 1.438 242 I CB 0.005 38.008 38.000 0.004 0.000 1.111 242 I HN 0.112 nan 8.210 nan 0.000 0.431 243 R N -0.162 120.252 120.500 -0.143 0.000 2.080 243 R HA -0.009 4.330 4.340 -0.002 0.000 0.222 243 R C 2.217 178.370 176.300 -0.245 0.000 1.107 243 R CA 1.109 57.084 56.100 -0.207 0.000 0.980 243 R CB -0.316 29.814 30.300 -0.284 0.000 0.879 243 R HN 0.116 nan 8.270 nan 0.000 0.439 244 F N 1.552 121.350 119.950 -0.253 0.000 2.046 244 F HA -0.138 4.388 4.527 -0.002 0.000 0.297 244 F C -0.546 174.907 175.800 -0.579 0.000 1.123 244 F CA 1.205 58.873 58.000 -0.554 0.000 1.199 244 F CB -1.617 37.028 39.000 -0.591 0.000 0.972 244 F HN 0.037 nan 8.300 nan 0.000 0.474 245 P HA -0.074 nan 4.420 nan 0.000 0.219 245 P C 1.562 178.887 177.300 0.043 0.000 1.150 245 P CA 1.622 64.708 63.100 -0.023 0.000 0.814 245 P CB -0.071 31.649 31.700 0.033 0.000 0.787 246 S N 0.463 116.172 115.700 0.014 0.000 2.356 246 S HA -0.090 4.378 4.470 -0.002 0.000 0.223 246 S C 2.243 176.878 174.600 0.059 0.000 1.032 246 S CA 1.477 59.698 58.200 0.036 0.000 1.005 246 S CB -1.013 62.189 63.200 0.004 0.000 0.867 246 S HN 0.197 nan 8.310 nan 0.000 0.449 247 A N 1.320 124.171 122.820 0.051 0.000 1.873 247 A HA -0.010 4.309 4.320 -0.002 0.000 0.215 247 A C 1.829 179.562 177.584 0.248 0.000 1.186 247 A CA 1.291 53.398 52.037 0.117 0.000 0.616 247 A CB -0.828 18.253 19.000 0.135 0.000 0.823 247 A HN 0.436 nan 8.150 nan 0.000 0.442 248 F N -0.352 119.620 119.950 0.037 0.000 2.216 248 F HA -0.122 4.404 4.527 -0.002 0.000 0.300 248 F C 2.338 178.123 175.800 -0.025 0.000 1.085 248 F CA 0.147 58.155 58.000 0.013 0.000 1.326 248 F CB -1.188 37.859 39.000 0.079 0.000 1.027 248 F HN 0.235 nan 8.300 nan 0.000 0.497 249 C N -0.741 118.705 119.300 0.243 0.000 2.906 249 C HA 0.521 4.980 4.460 -0.002 0.000 0.274 249 C C 1.676 176.825 174.990 0.265 0.000 1.257 249 C CA 0.269 59.450 59.018 0.272 0.000 1.695 249 C CB -0.848 27.058 27.740 0.276 0.000 1.958 249 C HN 0.705 nan 8.230 nan 0.000 0.619 250 G N 2.171 111.026 108.800 0.092 0.000 2.212 250 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.255 250 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.255 250 G C -0.191 174.792 174.900 0.138 0.000 1.062 250 G CA 0.635 45.768 45.100 0.055 0.000 0.815 250 G HN 0.759 nan 8.290 nan 0.000 0.497 251 I N -3.875 116.761 120.570 0.110 0.000 3.294 251 I HA 0.846 5.015 4.170 -0.002 0.000 0.311 251 I C 0.362 176.506 176.117 0.046 0.000 1.111 251 I CA -1.698 59.656 61.300 0.089 0.000 0.976 251 I CB 1.752 39.812 38.000 0.099 0.000 1.260 251 I HN 0.042 nan 8.210 nan 0.000 0.474 252 C N 1.516 120.836 119.300 0.034 0.000 2.365 252 C HA 0.904 5.363 4.460 -0.002 0.000 0.351 252 C C 0.520 175.515 174.990 0.008 0.000 1.240 252 C CA -0.048 58.977 59.018 0.012 0.000 2.062 252 C CB 0.149 27.896 27.740 0.011 0.000 2.387 252 C HN 0.974 nan 8.230 nan 0.000 0.537 253 G N 1.780 110.577 108.800 -0.005 0.000 2.706 253 G HA2 0.624 4.582 3.960 -0.002 0.000 0.297 253 G HA3 0.624 4.582 3.960 -0.002 0.000 0.297 253 G C -2.056 172.839 174.900 -0.009 0.000 1.403 253 G CA -0.343 44.754 45.100 -0.004 0.000 0.954 253 G HN 0.626 nan 8.290 nan 0.000 0.500 254 L N 0.797 122.022 121.223 0.003 0.000 2.356 254 L HA 0.666 5.005 4.340 -0.002 0.000 0.277 254 L C -0.107 176.774 176.870 0.017 0.000 0.996 254 L CA -0.883 53.963 54.840 0.009 0.000 0.822 254 L CB 1.798 43.870 42.059 0.022 0.000 1.256 254 L HN 0.444 nan 8.230 nan 0.000 0.413 255 K N 7.084 127.490 120.400 0.010 0.000 2.266 255 K HA 0.484 4.803 4.320 -0.002 0.000 0.274 255 K C -2.550 174.062 176.600 0.019 0.000 1.090 255 K CA -1.694 54.603 56.287 0.017 0.000 0.925 255 K CB 0.932 33.434 32.500 0.003 0.000 1.225 255 K HN 0.381 nan 8.250 nan 0.000 0.458 256 P HA 0.065 nan 4.420 nan 0.000 0.275 256 P C -0.677 176.599 177.300 -0.039 0.000 1.266 256 P CA -0.388 62.718 63.100 0.010 0.000 0.793 256 P CB 0.360 32.088 31.700 0.047 0.000 1.074 257 T N 0.398 114.875 114.554 -0.129 0.000 2.939 257 T HA 0.044 4.393 4.350 -0.002 0.000 0.312 257 T C 1.907 176.490 174.700 -0.195 0.000 1.064 257 T CA 0.867 62.794 62.100 -0.289 0.000 1.136 257 T CB -0.086 68.337 68.868 -0.742 0.000 1.035 257 T HN 0.592 nan 8.240 nan 0.000 0.538 258 G N 2.013 110.715 108.800 -0.163 0.000 2.469 258 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.219 258 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.219 258 G C 1.272 176.180 174.900 0.014 0.000 1.150 258 G CA 0.581 45.652 45.100 -0.049 0.000 0.763 258 G HN 0.668 nan 8.290 nan 0.000 0.561 259 N N -0.683 118.029 118.700 0.020 0.000 2.273 259 N HA 0.131 4.870 4.740 -0.002 0.000 0.231 259 N C 1.669 177.397 175.510 0.364 0.000 1.134 259 N CA -0.243 52.928 53.050 0.203 0.000 0.856 259 N CB 0.106 38.767 38.487 0.291 0.000 1.068 259 N HN 0.143 nan 8.380 nan 0.000 0.510 260 R N -0.369 120.302 120.500 0.285 0.000 2.115 260 R HA 0.236 4.575 4.340 -0.002 0.000 0.226 260 R C -0.050 176.433 176.300 0.305 0.000 1.100 260 R CA 1.144 57.477 56.100 0.388 0.000 0.980 260 R CB 0.098 30.560 30.300 0.271 0.000 0.875 260 R HN 0.197 nan 8.270 nan 0.000 0.445 261 L N -0.709 120.649 121.223 0.225 0.000 2.323 261 L HA 0.387 4.726 4.340 -0.002 0.000 0.265 261 L C -0.274 176.705 176.870 0.181 0.000 1.012 261 L CA -1.113 53.847 54.840 0.200 0.000 0.820 261 L CB 1.891 44.049 42.059 0.166 0.000 1.334 261 L HN -0.093 nan 8.230 nan 0.000 0.427 262 S N 0.335 116.137 115.700 0.169 0.000 2.505 262 S HA 0.154 4.623 4.470 -0.002 0.000 0.276 262 S C 0.509 175.190 174.600 0.136 0.000 1.274 262 S CA -0.276 58.013 58.200 0.148 0.000 1.053 262 S CB 0.336 63.616 63.200 0.134 0.000 0.919 262 S HN 0.581 nan 8.310 nan 0.000 0.490 263 K N 2.799 123.266 120.400 0.112 0.000 2.410 263 K HA 0.120 4.439 4.320 -0.002 0.000 0.200 263 K C 0.316 176.961 176.600 0.076 0.000 1.023 263 K CA -0.113 56.224 56.287 0.085 0.000 1.149 263 K CB 0.415 32.957 32.500 0.071 0.000 0.859 263 K HN 0.486 nan 8.250 nan 0.000 0.514 264 S N 0.366 116.116 115.700 0.084 0.000 2.498 264 S HA 0.253 4.722 4.470 -0.002 0.000 0.281 264 S C 1.117 175.759 174.600 0.069 0.000 1.265 264 S CA 0.823 59.064 58.200 0.068 0.000 1.071 264 S CB 0.245 63.485 63.200 0.067 0.000 0.894 264 S HN 0.663 nan 8.310 nan 0.000 0.491 265 G N 3.543 112.375 108.800 0.054 0.000 2.175 265 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.244 265 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.244 265 G C -0.224 174.710 174.900 0.058 0.000 0.982 265 G CA -0.027 45.109 45.100 0.059 0.000 0.641 265 G HN 0.678 nan 8.290 nan 0.000 0.527 266 L N 0.887 122.127 121.223 0.029 0.000 2.360 266 L HA 0.560 4.898 4.340 -0.002 0.000 0.276 266 L C 0.708 177.596 176.870 0.030 0.000 1.121 266 L CA -0.347 54.461 54.840 -0.053 0.000 0.845 266 L CB 1.281 43.257 42.059 -0.139 0.000 1.143 266 L HN 0.246 nan 8.230 nan 0.000 0.452 267 K N 1.960 122.364 120.400 0.007 0.000 2.339 267 K HA 0.587 4.906 4.320 -0.002 0.000 0.286 267 K C 0.033 176.652 176.600 0.031 0.000 1.050 267 K CA 0.085 56.418 56.287 0.077 0.000 0.956 267 K CB 0.683 33.210 32.500 0.045 0.000 0.990 267 K HN 0.725 nan 8.250 nan 0.000 0.475 268 G N 1.165 110.000 108.800 0.060 0.000 2.818 268 G HA2 0.337 4.296 3.960 -0.002 0.000 0.286 268 G HA3 0.337 4.296 3.960 -0.002 0.000 0.286 268 G C -0.089 174.618 174.900 -0.322 0.000 1.364 268 G CA -0.437 44.545 45.100 -0.196 0.000 0.938 268 G HN 0.863 nan 8.290 nan 0.000 0.490 269 C N -1.403 117.707 119.300 -0.317 0.000 3.336 269 C HA 0.664 5.123 4.460 -0.002 0.000 0.291 269 C C 0.017 174.846 174.990 -0.268 0.000 1.363 269 C CA -0.674 58.205 59.018 -0.232 0.000 1.737 269 C CB -0.891 26.801 27.740 -0.079 0.000 2.274 269 C HN 0.350 nan 8.230 nan 0.000 0.663 270 V N 1.314 120.961 119.914 -0.446 0.000 2.686 270 V HA 0.529 4.648 4.120 -0.002 0.000 0.306 270 V C -1.574 174.237 176.094 -0.472 0.000 1.065 270 V CA -0.212 61.907 62.300 -0.301 0.000 0.894 270 V CB 1.707 33.453 31.823 -0.127 0.000 1.004 270 V HN 0.324 nan 8.190 nan 0.000 0.424 271 Y N 1.362 121.676 120.300 0.024 0.000 2.462 271 Y HA 0.704 5.252 4.550 -0.002 0.000 0.346 271 Y C 1.058 176.971 175.900 0.020 0.000 0.976 271 Y CA -0.031 58.080 58.100 0.019 0.000 1.044 271 Y CB 2.266 40.737 38.460 0.019 0.000 1.230 271 Y HN 0.847 nan 8.280 nan 0.000 0.455 272 G N 1.206 110.126 108.800 0.200 0.000 2.176 272 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.253 272 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.253 272 G C 0.106 175.055 174.900 0.081 0.000 0.979 272 G CA -0.121 45.053 45.100 0.123 0.000 0.641 272 G HN 0.508 nan 8.290 nan 0.000 0.530 273 Q N 1.360 121.193 119.800 0.054 0.000 2.323 273 Q HA 0.466 4.805 4.340 -0.002 0.000 0.257 273 Q C 1.271 177.286 176.000 0.026 0.000 1.022 273 Q CA 0.934 56.749 55.803 0.020 0.000 0.919 273 Q CB 0.693 29.412 28.738 -0.033 0.000 1.220 273 Q HN 0.586 nan 8.270 nan 0.000 0.427 274 T N -0.212 114.364 114.554 0.037 0.000 3.040 274 T HA 0.304 4.653 4.350 -0.002 0.000 0.266 274 T C 1.345 176.064 174.700 0.032 0.000 1.005 274 T CA 0.357 62.482 62.100 0.041 0.000 0.906 274 T CB 0.453 69.355 68.868 0.058 0.000 1.082 274 T HN 0.381 nan 8.240 nan 0.000 0.531 275 A N 1.608 124.441 122.820 0.022 0.000 1.873 275 A HA 0.330 4.649 4.320 -0.002 0.000 0.215 275 A C 1.110 178.690 177.584 -0.006 0.000 1.186 275 A CA 0.921 52.967 52.037 0.014 0.000 0.616 275 A CB -0.451 18.552 19.000 0.005 0.000 0.823 275 A HN 0.442 nan 8.150 nan 0.000 0.442 276 V N 1.558 121.459 119.914 -0.023 0.000 2.304 276 V HA 0.225 4.344 4.120 -0.002 0.000 0.278 276 V C -0.507 175.576 176.094 -0.018 0.000 1.018 276 V CA -0.541 61.740 62.300 -0.032 0.000 0.814 276 V CB 0.867 32.657 31.823 -0.055 0.000 1.021 276 V HN 0.528 nan 8.190 nan 0.000 0.440 277 Q N 2.594 122.390 119.800 -0.007 0.000 2.299 277 Q HA 0.482 4.821 4.340 -0.002 0.000 0.246 277 Q C -0.461 175.541 176.000 0.003 0.000 0.935 277 Q CA -0.705 55.101 55.803 0.004 0.000 0.887 277 Q CB 2.071 30.814 28.738 0.009 0.000 1.223 277 Q HN 0.584 nan 8.270 nan 0.000 0.439 278 L N 0.974 122.203 121.223 0.011 0.000 2.418 278 L HA 0.391 4.730 4.340 -0.002 0.000 0.265 278 L C -0.462 176.419 176.870 0.018 0.000 1.143 278 L CA 0.629 55.476 54.840 0.011 0.000 0.809 278 L CB 1.574 43.638 42.059 0.009 0.000 1.124 278 L HN 0.584 nan 8.230 nan 0.000 0.456 279 S N 3.041 118.753 115.700 0.020 0.000 2.595 279 S HA 0.823 5.292 4.470 -0.002 0.000 0.281 279 S C -1.229 173.405 174.600 0.056 0.000 1.117 279 S CA -0.707 57.514 58.200 0.035 0.000 0.873 279 S CB 1.237 64.449 63.200 0.021 0.000 1.108 279 S HN 0.770 nan 8.310 nan 0.000 0.477 280 L N 1.052 122.331 121.223 0.094 0.000 2.354 280 L HA 1.135 5.473 4.340 -0.002 0.000 0.264 280 L C -0.140 176.818 176.870 0.148 0.000 1.008 280 L CA -0.200 54.736 54.840 0.161 0.000 0.819 280 L CB 1.652 43.858 42.059 0.246 0.000 1.339 280 L HN 0.862 nan 8.230 nan 0.000 0.420 281 G N 0.528 109.422 108.800 0.157 0.000 2.451 281 G HA2 0.562 4.520 3.960 -0.002 0.000 0.292 281 G HA3 0.562 4.520 3.960 -0.002 0.000 0.292 281 G C -3.421 171.513 174.900 0.057 0.000 1.427 281 G CA -0.783 44.371 45.100 0.091 0.000 0.792 281 G HN 0.593 nan 8.290 nan 0.000 0.498 282 P HA 0.527 nan 4.420 nan 0.000 0.281 282 P C -0.805 176.494 177.300 -0.002 0.000 1.249 282 P CA -0.260 62.833 63.100 -0.011 0.000 0.810 282 P CB 1.413 33.095 31.700 -0.029 0.000 1.008 283 M N 1.541 121.136 119.600 -0.009 0.000 2.464 283 M HA 0.749 5.228 4.480 -0.002 0.000 0.308 283 M C -0.420 175.879 176.300 -0.002 0.000 1.127 283 M CA -0.393 54.909 55.300 0.003 0.000 0.913 283 M CB 2.728 35.338 32.600 0.016 0.000 1.689 283 M HN 0.504 nan 8.290 nan 0.000 0.445 284 A N 1.447 124.274 122.820 0.010 0.000 2.483 284 A HA 0.566 4.884 4.320 -0.002 0.000 0.294 284 A C -0.398 177.206 177.584 0.034 0.000 1.077 284 A CA -0.773 51.272 52.037 0.012 0.000 0.633 284 A CB 1.139 20.135 19.000 -0.007 0.000 1.318 284 A HN 0.887 nan 8.150 nan 0.000 0.455 285 R N -0.250 120.275 120.500 0.041 0.000 2.240 285 R HA 0.087 4.425 4.340 -0.002 0.000 0.203 285 R C -0.652 175.679 176.300 0.051 0.000 1.011 285 R CA 1.536 57.671 56.100 0.059 0.000 1.007 285 R CB -0.100 30.242 30.300 0.069 0.000 0.911 285 R HN 0.820 nan 8.270 nan 0.000 0.468 286 D N -3.085 117.338 120.400 0.038 0.000 2.583 286 D HA 0.090 4.729 4.640 -0.002 0.000 0.248 286 D C 0.597 176.919 176.300 0.035 0.000 1.209 286 D CA -0.765 53.258 54.000 0.039 0.000 0.848 286 D CB 1.034 41.861 40.800 0.045 0.000 1.431 286 D HN -0.354 nan 8.370 nan 0.000 0.436 287 V N -0.047 119.896 119.914 0.048 0.000 2.407 287 V HA -0.187 3.932 4.120 -0.002 0.000 0.248 287 V C 2.247 178.387 176.094 0.077 0.000 1.055 287 V CA 2.155 64.494 62.300 0.065 0.000 1.049 287 V CB -0.751 31.131 31.823 0.099 0.000 0.662 287 V HN 0.724 nan 8.190 nan 0.000 0.455 288 E N 0.705 120.970 120.200 0.108 0.000 2.118 288 E HA -0.184 4.165 4.350 -0.002 0.000 0.195 288 E C 2.316 178.917 176.600 0.003 0.000 0.992 288 E CA 1.756 58.223 56.400 0.113 0.000 0.804 288 E CB -0.351 29.422 29.700 0.122 0.000 0.741 288 E HN 0.578 nan 8.360 nan 0.000 0.458 289 S N 0.017 115.715 115.700 -0.004 0.000 2.382 289 S HA -0.123 4.346 4.470 -0.002 0.000 0.228 289 S C 1.883 176.439 174.600 -0.074 0.000 1.027 289 S CA 1.176 59.353 58.200 -0.038 0.000 0.991 289 S CB -0.305 62.883 63.200 -0.021 0.000 0.823 289 S HN 0.279 nan 8.310 nan 0.000 0.469 290 L N 1.136 122.323 121.223 -0.060 0.000 2.046 290 L HA -0.124 4.215 4.340 -0.002 0.000 0.208 290 L C 2.861 179.639 176.870 -0.153 0.000 1.077 290 L CA 1.267 56.063 54.840 -0.074 0.000 0.747 290 L CB -0.896 41.144 42.059 -0.033 0.000 0.896 290 L HN 0.322 nan 8.230 nan 0.000 0.432 291 A N 0.305 122.981 122.820 -0.240 0.000 1.877 291 A HA -0.223 4.096 4.320 -0.002 0.000 0.216 291 A C 2.241 179.461 177.584 -0.606 0.000 1.186 291 A CA 1.725 53.457 52.037 -0.509 0.000 0.620 291 A CB -0.729 17.747 19.000 -0.874 0.000 0.822 291 A HN 0.322 nan 8.150 nan 0.000 0.443 292 L N -0.260 120.751 121.223 -0.354 0.000 2.012 292 L HA -0.184 4.155 4.340 -0.002 0.000 0.210 292 L C 2.569 179.279 176.870 -0.267 0.000 1.073 292 L CA 2.306 56.974 54.840 -0.287 0.000 0.748 292 L CB -1.079 40.891 42.059 -0.148 0.000 0.891 292 L HN 0.524 nan 8.230 nan 0.000 0.431 293 C N -0.991 118.187 119.300 -0.203 0.000 2.413 293 C HA -0.157 4.302 4.460 -0.002 0.000 0.276 293 C C 2.753 177.648 174.990 -0.158 0.000 1.236 293 C CA 1.053 59.981 59.018 -0.151 0.000 1.735 293 C CB -1.118 26.557 27.740 -0.108 0.000 2.031 293 C HN 0.634 nan 8.230 nan 0.000 0.474 294 L N 1.254 122.360 121.223 -0.195 0.000 2.046 294 L HA -0.094 4.244 4.340 -0.002 0.000 0.208 294 L C 2.571 179.327 176.870 -0.189 0.000 1.077 294 L CA 2.148 56.919 54.840 -0.115 0.000 0.747 294 L CB -0.844 41.224 42.059 0.016 0.000 0.896 294 L HN 0.388 nan 8.230 nan 0.000 0.432 295 K N -0.983 119.089 120.400 -0.547 0.000 2.026 295 K HA -0.185 4.134 4.320 -0.002 0.000 0.208 295 K C 2.018 178.510 176.600 -0.180 0.000 1.048 295 K CA 1.400 57.411 56.287 -0.460 0.000 0.929 295 K CB -0.196 31.906 32.500 -0.663 0.000 0.713 295 K HN 0.350 nan 8.250 nan 0.000 0.439 296 A N 0.909 123.626 122.820 -0.172 0.000 1.933 296 A HA -0.108 4.211 4.320 -0.002 0.000 0.218 296 A C 2.072 179.605 177.584 -0.085 0.000 1.175 296 A CA 1.256 53.232 52.037 -0.101 0.000 0.628 296 A CB -0.496 18.450 19.000 -0.090 0.000 0.814 296 A HN 0.317 nan 8.150 nan 0.000 0.444 297 L N -0.907 120.265 121.223 -0.085 0.000 2.131 297 L HA 0.028 4.367 4.340 -0.002 0.000 0.206 297 L C 0.672 177.457 176.870 -0.141 0.000 1.087 297 L CA 0.386 55.179 54.840 -0.077 0.000 0.767 297 L CB -0.335 41.705 42.059 -0.031 0.000 0.917 297 L HN 0.255 nan 8.230 nan 0.000 0.441 298 L N 1.538 122.710 121.223 -0.085 0.000 2.437 298 L HA 0.076 4.415 4.340 -0.002 0.000 0.243 298 L C 0.161 176.855 176.870 -0.292 0.000 1.346 298 L CA -0.646 54.126 54.840 -0.114 0.000 1.233 298 L CB -0.797 41.414 42.059 0.254 0.000 1.436 298 L HN 0.402 nan 8.230 nan 0.000 0.416 299 C N -2.889 116.064 119.300 -0.578 0.000 2.871 299 C HA 0.480 4.939 4.460 -0.002 0.000 0.351 299 C C 1.729 176.356 174.990 -0.606 0.000 1.338 299 C CA -0.828 57.951 59.018 -0.399 0.000 1.686 299 C CB 1.923 29.547 27.740 -0.195 0.000 2.135 299 C HN 0.453 nan 8.230 nan 0.000 0.476 300 E N 0.127 120.164 120.200 -0.271 0.000 2.153 300 E HA -0.144 4.204 4.350 -0.002 0.000 0.194 300 E C 1.975 178.476 176.600 -0.165 0.000 0.988 300 E CA 1.579 57.892 56.400 -0.144 0.000 0.811 300 E CB -0.495 29.133 29.700 -0.119 0.000 0.746 300 E HN 0.711 nan 8.360 nan 0.000 0.466 301 H N 0.405 119.402 119.070 -0.121 0.000 2.289 301 H HA -0.152 4.403 4.556 -0.002 0.000 0.296 301 H C 2.381 177.647 175.328 -0.104 0.000 1.091 301 H CA 1.349 57.343 56.048 -0.089 0.000 1.274 301 H CB -0.669 29.042 29.762 -0.084 0.000 1.364 301 H HN 0.147 nan 8.280 nan 0.000 0.490 302 L N 0.103 121.268 121.223 -0.096 0.000 2.017 302 L HA -0.180 4.159 4.340 -0.002 0.000 0.208 302 L C 2.142 179.018 176.870 0.010 0.000 1.073 302 L CA 1.278 56.050 54.840 -0.113 0.000 0.745 302 L CB -0.335 41.572 42.059 -0.254 0.000 0.894 302 L HN -0.011 nan 8.230 nan 0.000 0.432 303 F N -0.415 119.566 119.950 0.053 0.000 2.293 303 F HA -0.122 4.404 4.527 -0.002 0.000 0.300 303 F C 2.741 178.559 175.800 0.029 0.000 1.086 303 F CA 1.303 59.324 58.000 0.035 0.000 1.375 303 F CB -1.801 37.209 39.000 0.016 0.000 1.045 303 F HN 0.281 nan 8.300 nan 0.000 0.516 304 T N -2.212 112.452 114.554 0.183 0.000 2.978 304 T HA -0.026 4.323 4.350 -0.002 0.000 0.262 304 T C 2.046 176.805 174.700 0.097 0.000 1.063 304 T CA 0.736 62.907 62.100 0.118 0.000 1.140 304 T CB -0.706 68.214 68.868 0.086 0.000 0.886 304 T HN 0.279 nan 8.240 nan 0.000 0.470 305 L N 0.653 121.933 121.223 0.095 0.000 2.217 305 L HA 0.177 4.516 4.340 -0.002 0.000 0.211 305 L C 0.843 177.760 176.870 0.079 0.000 1.107 305 L CA 0.947 55.831 54.840 0.074 0.000 0.783 305 L CB -0.049 42.045 42.059 0.059 0.000 0.919 305 L HN 0.287 nan 8.230 nan 0.000 0.442 306 D N -1.191 119.273 120.400 0.107 0.000 2.363 306 D HA 0.188 4.827 4.640 -0.002 0.000 0.258 306 D C -1.962 174.415 176.300 0.127 0.000 1.259 306 D CA -1.894 52.171 54.000 0.109 0.000 0.921 306 D CB 1.238 42.106 40.800 0.114 0.000 1.201 306 D HN -0.184 nan 8.370 nan 0.000 0.524 307 P HA -0.114 nan 4.420 nan 0.000 0.223 307 P C 1.364 178.698 177.300 0.056 0.000 1.144 307 P CA 1.131 64.276 63.100 0.075 0.000 0.783 307 P CB 0.066 31.796 31.700 0.049 0.000 0.771 308 T N -4.112 110.482 114.554 0.067 0.000 3.035 308 T HA -0.008 4.341 4.350 -0.002 0.000 0.268 308 T C 0.765 175.510 174.700 0.075 0.000 1.109 308 T CA 0.305 62.442 62.100 0.061 0.000 1.119 308 T CB -0.966 67.943 68.868 0.067 0.000 0.900 308 T HN -0.164 nan 8.240 nan 0.000 0.503 309 V N 4.793 124.772 119.914 0.107 0.000 2.455 309 V HA 0.309 4.428 4.120 -0.002 0.000 0.273 309 V C -2.053 174.044 176.094 0.005 0.000 1.045 309 V CA -2.211 60.168 62.300 0.132 0.000 0.976 309 V CB 0.751 32.720 31.823 0.243 0.000 0.993 309 V HN 0.343 nan 8.190 nan 0.000 0.475 310 P HA 0.132 nan 4.420 nan 0.000 0.264 310 P C -2.465 174.530 177.300 -0.509 0.000 1.193 310 P CA -1.452 61.476 63.100 -0.288 0.000 0.763 310 P CB 0.040 31.485 31.700 -0.425 0.000 0.810 311 P HA 0.154 nan 4.420 nan 0.000 0.230 311 P C -0.422 176.283 177.300 -0.991 0.000 1.791 311 P CA 0.098 62.242 63.100 -1.594 0.000 1.020 311 P CB -0.131 30.998 31.700 -0.952 0.000 1.977 312 L N 4.408 125.254 121.223 -0.629 0.000 2.268 312 L HA 0.331 4.670 4.340 -0.002 0.000 0.289 312 L C -1.633 175.294 176.870 0.094 0.000 1.064 312 L CA -2.135 52.585 54.840 -0.199 0.000 0.824 312 L CB 0.729 42.715 42.059 -0.122 0.000 1.202 312 L HN 0.061 nan 8.230 nan 0.000 0.433 313 P HA -0.038 nan 4.420 nan 0.000 0.272 313 P C -0.529 176.903 177.300 0.220 0.000 1.230 313 P CA -0.386 62.870 63.100 0.261 0.000 0.788 313 P CB 0.637 32.445 31.700 0.180 0.000 0.949 314 F N 2.621 122.642 119.950 0.118 0.000 2.533 314 F HA 0.081 4.607 4.527 -0.002 0.000 0.378 314 F C 1.077 176.921 175.800 0.073 0.000 1.070 314 F CA -0.000 58.047 58.000 0.080 0.000 1.172 314 F CB 0.228 39.256 39.000 0.045 0.000 1.085 314 F HN 0.151 nan 8.300 nan 0.000 0.552 315 R N 5.628 125.940 120.500 -0.314 0.000 2.325 315 R HA 0.020 4.359 4.340 -0.002 0.000 0.323 315 R C 1.320 177.528 176.300 -0.153 0.000 1.177 315 R CA -0.296 55.707 56.100 -0.162 0.000 1.018 315 R CB 0.383 30.598 30.300 -0.141 0.000 1.070 315 R HN 0.715 nan 8.270 nan 0.000 0.495 316 E N 2.777 123.056 120.200 0.132 0.000 2.058 316 E HA -0.254 4.095 4.350 -0.002 0.000 0.194 316 E C 1.701 178.411 176.600 0.183 0.000 0.997 316 E CA 1.552 58.129 56.400 0.294 0.000 0.801 316 E CB 0.263 30.131 29.700 0.281 0.000 0.746 316 E HN 0.617 nan 8.360 nan 0.000 0.450 317 E N 0.894 121.150 120.200 0.094 0.000 2.160 317 E HA -0.142 4.207 4.350 -0.002 0.000 0.195 317 E C 2.198 178.819 176.600 0.035 0.000 0.991 317 E CA 1.145 57.578 56.400 0.054 0.000 0.810 317 E CB -0.690 29.030 29.700 0.033 0.000 0.742 317 E HN 0.129 nan 8.360 nan 0.000 0.466 318 V N 0.690 120.615 119.914 0.018 0.000 2.379 318 V HA -0.232 3.887 4.120 -0.002 0.000 0.245 318 V C 2.387 178.516 176.094 0.058 0.000 1.044 318 V CA 1.778 64.084 62.300 0.008 0.000 1.036 318 V CB -0.980 30.821 31.823 -0.038 0.000 0.664 318 V HN 0.246 nan 8.190 nan 0.000 0.453 319 Y N 1.621 121.892 120.300 -0.048 0.000 2.224 319 Y HA -0.157 4.392 4.550 -0.002 0.000 0.289 319 Y C 2.432 178.380 175.900 0.081 0.000 1.146 319 Y CA 1.512 59.636 58.100 0.039 0.000 1.182 319 Y CB -0.119 38.437 38.460 0.160 0.000 0.983 319 Y HN 0.060 nan 8.280 nan 0.000 0.524 320 R N 0.348 120.780 120.500 -0.115 0.000 2.297 320 R HA 0.084 4.423 4.340 -0.002 0.000 0.197 320 R C 0.982 177.220 176.300 -0.104 0.000 0.943 320 R CA 0.492 56.477 56.100 -0.192 0.000 1.038 320 R CB -0.739 29.532 30.300 -0.048 0.000 0.957 320 R HN 0.215 nan 8.270 nan 0.000 0.484 321 S N 1.194 116.862 115.700 -0.053 0.000 2.558 321 S HA -0.014 4.455 4.470 -0.002 0.000 0.288 321 S C 1.054 175.645 174.600 -0.014 0.000 1.318 321 S CA 0.203 58.392 58.200 -0.018 0.000 1.056 321 S CB 0.568 63.769 63.200 0.003 0.000 0.853 321 S HN 0.392 nan 8.310 nan 0.000 0.505 322 S N 4.003 119.704 115.700 0.003 0.000 2.663 322 S HA 0.348 4.816 4.470 -0.002 0.000 0.243 322 S C 0.238 174.862 174.600 0.040 0.000 1.009 322 S CA -0.704 57.509 58.200 0.022 0.000 0.988 322 S CB 0.061 63.264 63.200 0.006 0.000 0.896 322 S HN 0.713 nan 8.310 nan 0.000 0.502 323 R N 2.294 122.818 120.500 0.039 0.000 2.594 323 R HA 0.365 4.704 4.340 -0.002 0.000 0.272 323 R C -2.539 173.810 176.300 0.083 0.000 1.074 323 R CA -1.522 54.600 56.100 0.037 0.000 1.105 323 R CB -0.139 30.175 30.300 0.024 0.000 1.008 323 R HN 0.248 nan 8.270 nan 0.000 0.472 324 P HA 0.013 nan 4.420 nan 0.000 0.268 324 P C -0.766 176.635 177.300 0.168 0.000 1.208 324 P CA 0.202 63.359 63.100 0.095 0.000 0.777 324 P CB 0.537 32.221 31.700 -0.027 0.000 0.875 325 L N 2.013 123.433 121.223 0.330 0.000 2.362 325 L HA 0.465 4.804 4.340 -0.002 0.000 0.271 325 L C 0.652 177.518 176.870 -0.008 0.000 1.002 325 L CA -0.821 54.050 54.840 0.053 0.000 0.818 325 L CB 1.923 43.878 42.059 -0.173 0.000 1.298 325 L HN 0.203 nan 8.230 nan 0.000 0.420 326 R N 2.093 122.536 120.500 -0.096 0.000 2.196 326 R HA 0.410 4.749 4.340 -0.002 0.000 0.340 326 R C -1.152 174.988 176.300 -0.267 0.000 1.043 326 R CA -0.423 55.595 56.100 -0.136 0.000 0.883 326 R CB 1.055 31.279 30.300 -0.127 0.000 1.078 326 R HN 0.262 nan 8.270 nan 0.000 0.462 327 V N 3.206 122.974 119.914 -0.243 0.000 2.313 327 V HA 0.305 4.423 4.120 -0.002 0.000 0.278 327 V C 0.881 176.874 176.094 -0.169 0.000 1.017 327 V CA -0.929 61.173 62.300 -0.330 0.000 0.823 327 V CB 1.368 33.009 31.823 -0.304 0.000 1.010 327 V HN 0.909 nan 8.190 nan 0.000 0.443 328 G N 4.161 112.769 108.800 -0.320 0.000 2.544 328 G HA2 0.416 4.375 3.960 -0.002 0.000 0.242 328 G HA3 0.416 4.375 3.960 -0.002 0.000 0.242 328 G C -0.841 174.111 174.900 0.087 0.000 1.247 328 G CA 0.107 45.094 45.100 -0.190 0.000 0.840 328 G HN 0.994 nan 8.290 nan 0.000 0.578 329 Y N -0.243 120.120 120.300 0.105 0.000 2.581 329 Y HA 0.670 5.219 4.550 -0.002 0.000 0.337 329 Y C -1.431 174.640 175.900 0.284 0.000 1.108 329 Y CA -2.177 55.994 58.100 0.117 0.000 1.033 329 Y CB 1.244 39.736 38.460 0.055 0.000 1.318 329 Y HN 0.838 nan 8.280 nan 0.000 0.459 330 Y N -0.546 119.876 120.300 0.204 0.000 2.534 330 Y HA 0.617 5.166 4.550 -0.002 0.000 0.345 330 Y C -0.094 175.977 175.900 0.285 0.000 1.031 330 Y CA -1.349 56.843 58.100 0.154 0.000 1.022 330 Y CB 1.879 40.412 38.460 0.121 0.000 1.292 330 Y HN 0.725 nan 8.280 nan 0.000 0.459 331 E N 0.552 120.990 120.200 0.396 0.000 2.452 331 E HA 0.110 4.459 4.350 -0.002 0.000 0.197 331 E C -0.132 176.670 176.600 0.336 0.000 1.022 331 E CA 0.604 57.177 56.400 0.290 0.000 0.890 331 E CB 0.942 30.793 29.700 0.252 0.000 0.918 331 E HN 0.589 nan 8.360 nan 0.000 0.496 332 T N 1.234 116.072 114.554 0.474 0.000 2.982 332 T HA 0.090 4.439 4.350 -0.002 0.000 0.321 332 T C -1.115 173.923 174.700 0.563 0.000 1.229 332 T CA -0.712 61.731 62.100 0.570 0.000 1.044 332 T CB 1.701 70.838 68.868 0.448 0.000 1.184 332 T HN -0.003 nan 8.240 nan 0.000 0.477 333 D N 2.604 123.322 120.400 0.531 0.000 2.328 333 D HA 0.095 4.734 4.640 -0.002 0.000 0.221 333 D C 0.663 176.992 176.300 0.048 0.000 1.072 333 D CA -0.051 54.029 54.000 0.134 0.000 0.850 333 D CB -0.739 40.025 40.800 -0.060 0.000 0.922 333 D HN 0.815 nan 8.370 nan 0.000 0.516 334 N N -1.839 116.895 118.700 0.056 0.000 2.713 334 N HA -0.320 4.419 4.740 -0.002 0.000 0.251 334 N C -0.244 175.234 175.510 -0.053 0.000 1.117 334 N CA 0.993 53.870 53.050 -0.289 0.000 0.770 334 N CB -1.297 37.010 38.487 -0.300 0.000 1.137 334 N HN 0.390 nan 8.380 nan 0.000 0.566 335 Y N -0.335 120.056 120.300 0.152 0.000 2.583 335 Y HA 0.225 4.773 4.550 -0.002 0.000 0.270 335 Y C 0.587 176.783 175.900 0.493 0.000 1.113 335 Y CA 0.686 58.982 58.100 0.327 0.000 1.307 335 Y CB 0.863 39.376 38.460 0.088 0.000 1.369 335 Y HN -0.095 nan 8.280 nan 0.000 0.506 336 T N 3.270 118.087 114.554 0.438 0.000 2.753 336 T HA 0.245 4.593 4.350 -0.002 0.000 0.297 336 T C -0.356 174.645 174.700 0.502 0.000 0.981 336 T CA -0.474 61.871 62.100 0.409 0.000 0.956 336 T CB 0.553 69.638 68.868 0.361 0.000 0.936 336 T HN 0.221 nan 8.240 nan 0.000 0.463 337 M N 6.942 126.631 119.600 0.148 0.000 2.327 337 M HA 0.117 4.596 4.480 -0.002 0.000 0.353 337 M C -2.018 174.478 176.300 0.325 0.000 1.539 337 M CA -1.114 54.097 55.300 -0.148 0.000 1.039 337 M CB 0.556 32.565 32.600 -0.985 0.000 1.967 337 M HN 0.234 nan 8.290 nan 0.000 0.459 338 P HA 0.099 nan 4.420 nan 0.000 0.271 338 P C -0.902 176.583 177.300 0.307 0.000 1.218 338 P CA -0.315 62.965 63.100 0.299 0.000 0.780 338 P CB 0.529 32.343 31.700 0.190 0.000 0.901 339 S N 2.397 118.213 115.700 0.193 0.000 2.576 339 S HA 0.103 4.572 4.470 -0.002 0.000 0.272 339 S C -1.599 173.060 174.600 0.098 0.000 1.352 339 S CA -0.697 57.566 58.200 0.104 0.000 1.021 339 S CB -0.612 62.566 63.200 -0.037 0.000 0.887 339 S HN 0.295 nan 8.310 nan 0.000 0.542 340 P HA -0.130 nan 4.420 nan 0.000 0.216 340 P C 1.545 178.859 177.300 0.024 0.000 1.150 340 P CA 2.014 65.150 63.100 0.059 0.000 0.843 340 P CB -0.238 31.490 31.700 0.047 0.000 0.787 341 A N -1.214 121.605 122.820 -0.002 0.000 1.873 341 A HA -0.178 4.141 4.320 -0.002 0.000 0.215 341 A C 2.223 179.791 177.584 -0.026 0.000 1.186 341 A CA 1.804 53.826 52.037 -0.025 0.000 0.616 341 A CB -1.437 17.532 19.000 -0.052 0.000 0.823 341 A HN 0.089 nan 8.150 nan 0.000 0.442 342 M N -1.342 118.244 119.600 -0.023 0.000 2.106 342 M HA -0.198 4.281 4.480 -0.002 0.000 0.259 342 M C 2.418 178.702 176.300 -0.027 0.000 1.068 342 M CA 1.973 57.249 55.300 -0.040 0.000 1.100 342 M CB -0.247 32.325 32.600 -0.047 0.000 1.351 342 M HN 0.445 nan 8.290 nan 0.000 0.404 343 R N -0.251 120.257 120.500 0.013 0.000 2.090 343 R HA -0.099 4.240 4.340 -0.002 0.000 0.228 343 R C 2.307 178.620 176.300 0.021 0.000 1.110 343 R CA 1.245 57.367 56.100 0.037 0.000 0.973 343 R CB -0.073 30.270 30.300 0.072 0.000 0.869 343 R HN 0.268 nan 8.270 nan 0.000 0.440 344 R N 0.076 120.582 120.500 0.009 0.000 2.066 344 R HA -0.094 4.245 4.340 -0.002 0.000 0.232 344 R C 2.122 178.412 176.300 -0.017 0.000 1.131 344 R CA 1.461 57.560 56.100 -0.001 0.000 0.955 344 R CB -0.306 29.991 30.300 -0.005 0.000 0.851 344 R HN 0.250 nan 8.270 nan 0.000 0.432 345 A N 1.749 124.552 122.820 -0.028 0.000 1.884 345 A HA -0.230 4.089 4.320 -0.002 0.000 0.219 345 A C 2.126 179.684 177.584 -0.043 0.000 1.197 345 A CA 1.587 53.599 52.037 -0.042 0.000 0.637 345 A CB -0.901 18.066 19.000 -0.056 0.000 0.827 345 A HN 0.414 nan 8.150 nan 0.000 0.450 346 L N -0.256 120.945 121.223 -0.037 0.000 2.027 346 L HA -0.110 4.229 4.340 -0.002 0.000 0.206 346 L C 2.373 179.222 176.870 -0.036 0.000 1.074 346 L CA 2.015 56.835 54.840 -0.033 0.000 0.745 346 L CB -0.876 41.177 42.059 -0.010 0.000 0.898 346 L HN 0.496 nan 8.230 nan 0.000 0.433 347 I N -0.175 120.382 120.570 -0.022 0.000 2.252 347 I HA -0.284 3.885 4.170 -0.002 0.000 0.245 347 I C 2.449 178.539 176.117 -0.046 0.000 1.102 347 I CA 1.033 62.313 61.300 -0.034 0.000 1.385 347 I CB -0.160 37.838 38.000 -0.003 0.000 1.064 347 I HN 0.307 nan 8.210 nan 0.000 0.414 348 E N 0.311 120.491 120.200 -0.033 0.000 2.077 348 E HA -0.177 4.172 4.350 -0.002 0.000 0.193 348 E C 2.151 178.729 176.600 -0.036 0.000 0.989 348 E CA 1.833 58.214 56.400 -0.031 0.000 0.800 348 E CB -0.135 29.550 29.700 -0.024 0.000 0.746 348 E HN 0.451 nan 8.360 nan 0.000 0.452 349 T N 1.429 115.958 114.554 -0.043 0.000 2.652 349 T HA -0.211 4.138 4.350 -0.002 0.000 0.267 349 T C 1.816 176.492 174.700 -0.039 0.000 1.039 349 T CA 1.454 63.529 62.100 -0.042 0.000 1.153 349 T CB -0.186 68.648 68.868 -0.057 0.000 0.863 349 T HN 0.135 nan 8.240 nan 0.000 0.428 350 K N 0.885 121.240 120.400 -0.076 0.000 2.044 350 K HA -0.233 4.086 4.320 -0.002 0.000 0.210 350 K C 2.318 178.857 176.600 -0.101 0.000 1.049 350 K CA 1.707 57.909 56.287 -0.141 0.000 0.927 350 K CB -0.161 32.158 32.500 -0.301 0.000 0.713 350 K HN 0.437 nan 8.250 nan 0.000 0.443 351 Q N -0.386 119.369 119.800 -0.076 0.000 2.172 351 Q HA -0.073 4.265 4.340 -0.002 0.000 0.200 351 Q C 2.201 178.192 176.000 -0.015 0.000 0.964 351 Q CA 1.007 56.782 55.803 -0.046 0.000 0.855 351 Q CB 0.066 28.782 28.738 -0.037 0.000 0.918 351 Q HN 0.301 nan 8.270 nan 0.000 0.444 352 R N 0.229 120.726 120.500 -0.005 0.000 2.119 352 R HA -0.010 4.329 4.340 -0.002 0.000 0.222 352 R C 2.248 178.584 176.300 0.059 0.000 1.088 352 R CA 0.683 56.794 56.100 0.018 0.000 0.984 352 R CB -0.167 30.140 30.300 0.012 0.000 0.884 352 R HN 0.251 nan 8.270 nan 0.000 0.447 353 L N 0.702 121.974 121.223 0.081 0.000 2.046 353 L HA -0.170 4.169 4.340 -0.002 0.000 0.208 353 L C 2.203 179.178 176.870 0.175 0.000 1.077 353 L CA 1.457 56.414 54.840 0.195 0.000 0.747 353 L CB -0.350 41.797 42.059 0.146 0.000 0.896 353 L HN 0.196 nan 8.230 nan 0.000 0.432 354 E N 0.096 120.334 120.200 0.063 0.000 2.051 354 E HA -0.219 4.130 4.350 -0.002 0.000 0.192 354 E C 2.261 178.866 176.600 0.007 0.000 0.991 354 E CA 1.227 57.642 56.400 0.025 0.000 0.799 354 E CB -0.173 29.520 29.700 -0.011 0.000 0.748 354 E HN 0.491 nan 8.360 nan 0.000 0.449 355 A N 0.805 123.630 122.820 0.008 0.000 2.067 355 A HA 0.030 4.348 4.320 -0.002 0.000 0.219 355 A C 2.145 179.718 177.584 -0.019 0.000 1.158 355 A CA 1.274 53.308 52.037 -0.006 0.000 0.661 355 A CB -0.220 18.779 19.000 -0.001 0.000 0.801 355 A HN 0.261 nan 8.150 nan 0.000 0.452 356 A N -1.858 120.957 122.820 -0.009 0.000 2.251 356 A HA 0.432 4.751 4.320 -0.002 0.000 0.209 356 A C 1.633 179.071 177.584 -0.243 0.000 1.187 356 A CA 1.113 53.111 52.037 -0.064 0.000 0.823 356 A CB -0.686 18.339 19.000 0.042 0.000 0.846 356 A HN 1.765 nan 8.150 nan 0.000 0.486 357 G N -1.180 107.500 108.800 -0.199 0.000 2.144 357 G HA2 -0.170 3.789 3.960 -0.002 0.000 0.218 357 G HA3 -0.170 3.789 3.960 -0.002 0.000 0.218 357 G C -0.011 174.725 174.900 -0.273 0.000 0.988 357 G CA 0.085 45.052 45.100 -0.222 0.000 0.659 357 G HN 0.649 nan 8.290 nan 0.000 0.522 358 H N 0.488 119.552 119.070 -0.010 0.000 2.505 358 H HA 0.501 5.056 4.556 -0.002 0.000 0.355 358 H C 0.020 175.333 175.328 -0.026 0.000 1.179 358 H CA 0.602 56.638 56.048 -0.021 0.000 1.343 358 H CB 1.093 30.845 29.762 -0.017 0.000 1.501 358 H HN 0.102 nan 8.280 nan 0.000 0.569 359 T N 4.046 118.656 114.554 0.093 0.000 2.733 359 T HA 0.194 4.543 4.350 -0.002 0.000 0.294 359 T C 0.445 175.170 174.700 0.041 0.000 0.956 359 T CA -0.715 61.411 62.100 0.043 0.000 0.987 359 T CB 0.254 69.131 68.868 0.016 0.000 0.920 359 T HN 0.116 nan 8.240 nan 0.000 0.470 360 L N 5.151 126.411 121.223 0.061 0.000 2.257 360 L HA 0.532 4.871 4.340 -0.002 0.000 0.290 360 L C -0.152 176.877 176.870 0.265 0.000 1.044 360 L CA -0.260 54.650 54.840 0.116 0.000 0.810 360 L CB 0.739 42.774 42.059 -0.039 0.000 1.193 360 L HN 0.651 nan 8.230 nan 0.000 0.425 361 I N 5.849 126.590 120.570 0.286 0.000 2.418 361 I HA 0.327 4.496 4.170 -0.002 0.000 0.287 361 I C -2.181 173.937 176.117 0.002 0.000 1.008 361 I CA -2.069 59.324 61.300 0.155 0.000 1.104 361 I CB 2.234 40.247 38.000 0.020 0.000 1.264 361 I HN 0.336 nan 8.210 nan 0.000 0.438 362 P HA 0.122 nan 4.420 nan 0.000 0.267 362 P C -1.045 176.198 177.300 -0.096 0.000 1.205 362 P CA 0.282 63.103 63.100 -0.465 0.000 0.765 362 P CB 0.259 31.797 31.700 -0.269 0.000 0.828 363 F N 4.285 124.085 119.950 -0.250 0.000 2.604 363 F HA 0.543 5.069 4.527 -0.002 0.000 0.316 363 F C -2.033 173.757 175.800 -0.016 0.000 1.136 363 F CA -0.994 56.949 58.000 -0.096 0.000 0.989 363 F CB 1.449 40.395 39.000 -0.090 0.000 1.258 363 F HN 0.101 nan 8.300 nan 0.000 0.451 364 L N 8.273 129.118 121.223 -0.629 0.000 2.439 364 L HA 0.675 5.014 4.340 -0.002 0.000 0.270 364 L C -2.629 173.814 176.870 -0.711 0.000 0.972 364 L CA -1.978 52.495 54.840 -0.611 0.000 0.836 364 L CB 1.846 43.636 42.059 -0.449 0.000 1.255 364 L HN 0.329 nan 8.230 nan 0.000 0.404 365 P HA 0.095 nan 4.420 nan 0.000 0.264 365 P C -1.101 176.080 177.300 -0.199 0.000 1.183 365 P CA 0.116 63.048 63.100 -0.279 0.000 0.763 365 P CB 0.174 31.843 31.700 -0.051 0.000 0.807 366 N N 1.929 120.555 118.700 -0.124 0.000 2.453 366 N HA -0.018 4.721 4.740 -0.002 0.000 0.253 366 N C 0.093 175.675 175.510 0.120 0.000 1.252 366 N CA -0.288 52.743 53.050 -0.032 0.000 0.917 366 N CB -0.236 38.241 38.487 -0.017 0.000 1.117 366 N HN 0.262 nan 8.380 nan 0.000 0.442 367 N N -0.232 118.504 118.700 0.059 0.000 2.725 367 N HA -0.200 4.539 4.740 -0.002 0.000 0.251 367 N C 0.282 175.821 175.510 0.047 0.000 1.031 367 N CA 0.617 53.717 53.050 0.082 0.000 0.720 367 N CB -0.858 37.706 38.487 0.128 0.000 0.930 367 N HN 0.650 nan 8.380 nan 0.000 0.543 368 I N 0.558 121.113 120.570 -0.025 0.000 2.163 368 I HA -0.212 3.957 4.170 -0.002 0.000 0.243 368 I C -0.544 175.450 176.117 -0.205 0.000 1.085 368 I CA 1.492 62.711 61.300 -0.135 0.000 1.347 368 I CB -0.851 37.049 38.000 -0.168 0.000 1.044 368 I HN 0.193 nan 8.210 nan 0.000 0.408 369 P HA -0.230 nan 4.420 nan 0.000 0.215 369 P C 1.578 178.850 177.300 -0.046 0.000 1.153 369 P CA 1.485 64.561 63.100 -0.040 0.000 0.853 369 P CB -0.171 31.650 31.700 0.201 0.000 0.788 370 Y N 0.878 121.091 120.300 -0.145 0.000 2.181 370 Y HA -0.158 4.390 4.550 -0.002 0.000 0.288 370 Y C 2.323 178.043 175.900 -0.301 0.000 1.146 370 Y CA 1.703 59.697 58.100 -0.178 0.000 1.164 370 Y CB -1.076 37.287 38.460 -0.161 0.000 0.982 370 Y HN -0.117 nan 8.280 nan 0.000 0.515 371 A N 0.349 122.838 122.820 -0.552 0.000 1.972 371 A HA -0.126 4.192 4.320 -0.002 0.000 0.219 371 A C 2.215 179.493 177.584 -0.511 0.000 1.169 371 A CA 1.940 53.509 52.037 -0.780 0.000 0.635 371 A CB -0.962 17.547 19.000 -0.817 0.000 0.810 371 A HN 0.582 nan 8.150 nan 0.000 0.446 372 L N -1.557 119.422 121.223 -0.407 0.000 2.145 372 L HA -0.036 4.302 4.340 -0.002 0.000 0.201 372 L C 2.517 179.282 176.870 -0.176 0.000 1.075 372 L CA 1.200 55.845 54.840 -0.325 0.000 0.773 372 L CB -0.489 41.276 42.059 -0.490 0.000 0.936 372 L HN 0.362 nan 8.230 nan 0.000 0.451 373 E N -0.437 119.684 120.200 -0.132 0.000 2.112 373 E HA -0.103 4.246 4.350 -0.002 0.000 0.190 373 E C 2.115 178.701 176.600 -0.025 0.000 0.979 373 E CA 0.887 57.301 56.400 0.023 0.000 0.814 373 E CB 0.232 29.986 29.700 0.091 0.000 0.762 373 E HN 0.211 nan 8.360 nan 0.000 0.460 374 V N 0.843 120.660 119.914 -0.162 0.000 2.490 374 V HA -0.090 4.029 4.120 -0.002 0.000 0.238 374 V C 2.140 178.082 176.094 -0.253 0.000 1.056 374 V CA 0.845 63.031 62.300 -0.191 0.000 1.075 374 V CB -0.311 31.376 31.823 -0.226 0.000 0.746 374 V HN 0.175 nan 8.190 nan 0.000 0.479 375 L N -0.089 120.868 121.223 -0.442 0.000 2.023 375 L HA -0.067 4.272 4.340 -0.002 0.000 0.205 375 L C 2.605 179.344 176.870 -0.218 0.000 1.073 375 L CA 1.581 56.204 54.840 -0.362 0.000 0.745 375 L CB -0.699 41.050 42.059 -0.516 0.000 0.900 375 L HN 0.287 nan 8.230 nan 0.000 0.435 376 S N -0.658 114.912 115.700 -0.216 0.000 2.357 376 S HA -0.132 4.337 4.470 -0.002 0.000 0.221 376 S C 2.033 176.600 174.600 -0.054 0.000 1.031 376 S CA 1.695 59.815 58.200 -0.134 0.000 0.982 376 S CB -0.280 62.833 63.200 -0.145 0.000 0.853 376 S HN 0.380 nan 8.310 nan 0.000 0.458 377 T N 1.681 116.242 114.554 0.011 0.000 2.708 377 T HA -0.036 4.313 4.350 -0.002 0.000 0.266 377 T C 2.063 176.820 174.700 0.095 0.000 1.037 377 T CA 1.366 63.552 62.100 0.143 0.000 1.146 377 T CB -0.827 68.176 68.868 0.226 0.000 0.865 377 T HN 0.538 nan 8.240 nan 0.000 0.435 378 G N 0.730 109.540 108.800 0.015 0.000 2.422 378 G HA2 -0.017 3.942 3.960 -0.002 0.000 0.218 378 G HA3 -0.017 3.942 3.960 -0.002 0.000 0.218 378 G C 1.682 176.573 174.900 -0.015 0.000 1.140 378 G CA 0.913 46.017 45.100 0.007 0.000 0.775 378 G HN 0.564 nan 8.290 nan 0.000 0.545 379 G N 0.731 109.499 108.800 -0.053 0.000 2.394 379 G HA2 -0.067 3.892 3.960 -0.002 0.000 0.215 379 G HA3 -0.067 3.892 3.960 -0.002 0.000 0.215 379 G C 1.741 176.568 174.900 -0.122 0.000 1.165 379 G CA 0.525 45.584 45.100 -0.067 0.000 0.784 379 G HN 0.419 nan 8.290 nan 0.000 0.535 380 L N -1.123 119.974 121.223 -0.210 0.000 2.240 380 L HA 0.260 4.599 4.340 -0.002 0.000 0.211 380 L C 0.860 177.293 176.870 -0.728 0.000 1.106 380 L CA 0.383 54.939 54.840 -0.475 0.000 0.793 380 L CB 0.104 41.837 42.059 -0.542 0.000 0.927 380 L HN 0.093 nan 8.230 nan 0.000 0.446 381 F N -1.644 118.244 119.950 -0.103 0.000 2.841 381 F HA 0.225 4.751 4.527 -0.002 0.000 0.358 381 F C 1.704 177.454 175.800 -0.084 0.000 1.261 381 F CA -0.373 57.551 58.000 -0.126 0.000 1.233 381 F CB -0.167 38.737 39.000 -0.160 0.000 1.008 381 F HN -0.187 nan 8.300 nan 0.000 0.507 382 S N 0.086 115.817 115.700 0.052 0.000 2.400 382 S HA -0.197 4.271 4.470 -0.002 0.000 0.232 382 S C 1.625 176.250 174.600 0.041 0.000 1.025 382 S CA 1.802 60.024 58.200 0.037 0.000 0.993 382 S CB -0.211 63.000 63.200 0.018 0.000 0.808 382 S HN 0.609 nan 8.310 nan 0.000 0.478 383 D N 0.065 120.497 120.400 0.053 0.000 2.336 383 D HA 0.226 4.865 4.640 -0.002 0.000 0.228 383 D C 1.125 177.457 176.300 0.054 0.000 1.120 383 D CA 0.512 54.540 54.000 0.047 0.000 0.839 383 D CB -0.618 40.211 40.800 0.047 0.000 0.932 383 D HN 0.342 nan 8.370 nan 0.000 0.509 384 G N -0.195 108.640 108.800 0.059 0.000 2.168 384 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.263 384 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.263 384 G C 1.181 176.084 174.900 0.005 0.000 0.977 384 G CA 0.476 45.581 45.100 0.007 0.000 0.659 384 G HN 1.448 nan 8.290 nan 0.000 0.533 385 G N -1.311 107.572 108.800 0.139 0.000 2.157 385 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.239 385 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.239 385 G C 1.116 176.131 174.900 0.192 0.000 0.982 385 G CA 1.213 46.443 45.100 0.216 0.000 0.650 385 G HN 0.837 nan 8.290 nan 0.000 0.527 386 R N 0.602 121.171 120.500 0.114 0.000 2.073 386 R HA -0.020 4.318 4.340 -0.002 0.000 0.234 386 R C 2.747 179.105 176.300 0.098 0.000 1.134 386 R CA 1.815 57.966 56.100 0.084 0.000 0.952 386 R CB -0.443 29.888 30.300 0.051 0.000 0.850 386 R HN 0.420 nan 8.270 nan 0.000 0.433 387 S N 0.850 116.615 115.700 0.107 0.000 2.356 387 S HA -0.169 4.300 4.470 -0.002 0.000 0.223 387 S C 1.548 176.225 174.600 0.128 0.000 1.032 387 S CA 1.308 59.566 58.200 0.097 0.000 1.005 387 S CB -0.395 62.854 63.200 0.082 0.000 0.867 387 S HN 0.279 nan 8.310 nan 0.000 0.449 388 F N 2.385 122.344 119.950 0.015 0.000 2.069 388 F HA -0.090 4.436 4.527 -0.002 0.000 0.298 388 F C 1.844 177.738 175.800 0.157 0.000 1.113 388 F CA 1.315 59.339 58.000 0.040 0.000 1.214 388 F CB -0.541 38.471 39.000 0.020 0.000 0.978 388 F HN 0.087 nan 8.300 nan 0.000 0.474 389 L N 0.034 121.317 121.223 0.100 0.000 2.191 389 L HA -0.216 4.122 4.340 -0.002 0.000 0.212 389 L C 2.513 179.412 176.870 0.048 0.000 1.103 389 L CA 0.686 55.556 54.840 0.050 0.000 0.769 389 L CB -0.723 41.373 42.059 0.061 0.000 0.908 389 L HN 0.216 nan 8.230 nan 0.000 0.438 390 Q N 0.037 119.848 119.800 0.017 0.000 2.197 390 Q HA -0.207 4.132 4.340 -0.002 0.000 0.207 390 Q C 1.852 177.819 176.000 -0.055 0.000 0.984 390 Q CA 1.248 57.048 55.803 -0.006 0.000 0.869 390 Q CB -0.543 28.195 28.738 -0.000 0.000 0.906 390 Q HN 0.610 nan 8.270 nan 0.000 0.426 391 N N -0.276 118.341 118.700 -0.137 0.000 2.364 391 N HA -0.112 4.627 4.740 -0.002 0.000 0.183 391 N C 1.070 176.331 175.510 -0.416 0.000 1.022 391 N CA 0.859 53.725 53.050 -0.307 0.000 0.883 391 N CB -0.128 38.059 38.487 -0.499 0.000 0.965 391 N HN 0.265 nan 8.380 nan 0.000 0.438 392 F N 1.018 120.852 119.950 -0.193 0.000 2.727 392 F HA 0.206 4.731 4.527 -0.002 0.000 0.302 392 F C 0.777 176.510 175.800 -0.111 0.000 1.097 392 F CA -0.192 57.718 58.000 -0.149 0.000 1.330 392 F CB 0.272 39.173 39.000 -0.165 0.000 1.084 392 F HN -0.358 nan 8.300 nan 0.000 0.578 393 K N 0.955 121.373 120.400 0.029 0.000 2.430 393 K HA 0.182 4.500 4.320 -0.002 0.000 0.280 393 K C 1.203 177.781 176.600 -0.038 0.000 1.063 393 K CA 0.907 57.191 56.287 -0.004 0.000 1.071 393 K CB -0.022 32.468 32.500 -0.017 0.000 0.899 393 K HN 0.418 nan 8.250 nan 0.000 0.473 394 G N 2.565 111.335 108.800 -0.051 0.000 2.179 394 G HA2 -0.237 3.721 3.960 -0.002 0.000 0.260 394 G HA3 -0.237 3.721 3.960 -0.002 0.000 0.260 394 G C -0.061 174.752 174.900 -0.145 0.000 0.977 394 G CA 0.249 45.291 45.100 -0.096 0.000 0.641 394 G HN 0.639 nan 8.290 nan 0.000 0.533 395 D N -0.574 119.771 120.400 -0.093 0.000 2.268 395 D HA 0.625 5.264 4.640 -0.002 0.000 0.249 395 D C 0.542 176.797 176.300 -0.075 0.000 1.008 395 D CA -0.806 53.142 54.000 -0.086 0.000 0.939 395 D CB 0.546 41.339 40.800 -0.013 0.000 1.170 395 D HN -0.007 nan 8.370 nan 0.000 0.468 396 F N 0.271 120.252 119.950 0.051 0.000 2.506 396 F HA 0.170 4.697 4.527 -0.001 0.000 0.351 396 F C 0.724 176.602 175.800 0.130 0.000 1.136 396 F CA -0.341 57.696 58.000 0.062 0.000 1.298 396 F CB 0.713 39.733 39.000 0.034 0.000 1.145 396 F HN -0.083 nan 8.300 nan 0.000 0.593 397 V N 2.770 122.869 119.914 0.309 0.000 2.350 397 V HA 0.063 4.182 4.120 -0.002 0.000 0.276 397 V C 0.049 176.253 176.094 0.184 0.000 1.028 397 V CA -0.976 61.463 62.300 0.232 0.000 0.860 397 V CB 1.064 32.921 31.823 0.056 0.000 0.990 397 V HN 0.653 nan 8.190 nan 0.000 0.453 398 D N 6.767 127.282 120.400 0.192 0.000 2.493 398 D HA 0.044 4.683 4.640 -0.002 0.000 0.240 398 D C -1.452 174.892 176.300 0.074 0.000 1.142 398 D CA -1.050 53.018 54.000 0.113 0.000 0.872 398 D CB 2.016 42.887 40.800 0.117 0.000 1.173 398 D HN 0.256 nan 8.370 nan 0.000 0.467 399 P HA -0.160 nan 4.420 nan 0.000 0.218 399 P C 1.550 178.856 177.300 0.011 0.000 1.146 399 P CA 0.907 64.018 63.100 0.019 0.000 0.820 399 P CB -0.120 31.581 31.700 0.001 0.000 0.778 400 C N -2.464 116.844 119.300 0.013 0.000 2.472 400 C HA 0.058 4.516 4.460 -0.002 0.000 0.278 400 C C 2.210 177.196 174.990 -0.008 0.000 1.447 400 C CA -0.058 58.953 59.018 -0.013 0.000 1.773 400 C CB -2.086 25.645 27.740 -0.015 0.000 1.793 400 C HN 0.105 nan 8.230 nan 0.000 0.544 401 L N 1.468 122.717 121.223 0.043 0.000 2.599 401 L HA 0.277 4.616 4.340 -0.002 0.000 0.230 401 L C 2.080 178.977 176.870 0.045 0.000 1.141 401 L CA 0.581 55.463 54.840 0.071 0.000 0.877 401 L CB -1.257 40.877 42.059 0.125 0.000 1.009 401 L HN 0.710 nan 8.230 nan 0.000 0.447 402 G N 1.099 109.910 108.800 0.018 0.000 2.611 402 G HA2 -0.348 3.611 3.960 -0.002 0.000 0.301 402 G HA3 -0.348 3.611 3.960 -0.002 0.000 0.301 402 G C 0.285 175.203 174.900 0.030 0.000 1.233 402 G CA 0.431 45.542 45.100 0.019 0.000 0.993 402 G HN 0.334 nan 8.290 nan 0.000 0.553 403 D N 0.537 120.967 120.400 0.050 0.000 2.368 403 D HA 0.226 4.865 4.640 -0.002 0.000 0.218 403 D C 2.240 178.574 176.300 0.057 0.000 1.112 403 D CA -0.009 54.017 54.000 0.044 0.000 0.834 403 D CB 0.536 41.368 40.800 0.053 0.000 0.953 403 D HN 0.243 nan 8.370 nan 0.000 0.505 404 L N 0.919 122.193 121.223 0.085 0.000 2.012 404 L HA -0.192 4.147 4.340 -0.002 0.000 0.210 404 L C 1.765 178.650 176.870 0.024 0.000 1.073 404 L CA 1.556 56.465 54.840 0.115 0.000 0.748 404 L CB -0.276 41.908 42.059 0.208 0.000 0.891 404 L HN -0.062 nan 8.230 nan 0.000 0.431 405 I N -0.778 119.764 120.570 -0.047 0.000 2.252 405 I HA -0.257 3.912 4.170 -0.002 0.000 0.245 405 I C 2.556 178.603 176.117 -0.116 0.000 1.102 405 I CA 1.342 62.546 61.300 -0.161 0.000 1.385 405 I CB -1.468 36.303 38.000 -0.383 0.000 1.064 405 I HN 0.343 nan 8.210 nan 0.000 0.414 406 L N 0.413 121.587 121.223 -0.082 0.000 2.042 406 L HA -0.200 4.139 4.340 -0.002 0.000 0.210 406 L C 2.474 179.304 176.870 -0.066 0.000 1.076 406 L CA 1.627 56.426 54.840 -0.068 0.000 0.749 406 L CB -0.135 41.898 42.059 -0.042 0.000 0.893 406 L HN 0.081 nan 8.230 nan 0.000 0.432 407 I N -0.742 119.802 120.570 -0.043 0.000 2.286 407 I HA -0.288 3.881 4.170 -0.002 0.000 0.245 407 I C 2.303 178.350 176.117 -0.118 0.000 1.104 407 I CA 1.082 62.353 61.300 -0.047 0.000 1.397 407 I CB -0.200 37.806 38.000 0.010 0.000 1.072 407 I HN 0.253 nan 8.210 nan 0.000 0.417 408 L N 0.209 121.341 121.223 -0.151 0.000 2.131 408 L HA -0.178 4.161 4.340 -0.002 0.000 0.210 408 L C 2.618 179.410 176.870 -0.130 0.000 1.092 408 L CA 1.257 55.979 54.840 -0.196 0.000 0.759 408 L CB -0.520 41.438 42.059 -0.167 0.000 0.903 408 L HN 0.169 nan 8.230 nan 0.000 0.435 409 R N -0.240 120.195 120.500 -0.108 0.000 2.148 409 R HA 0.016 4.355 4.340 -0.002 0.000 0.227 409 R C 0.603 176.827 176.300 -0.126 0.000 1.103 409 R CA 0.196 56.236 56.100 -0.100 0.000 0.983 409 R CB -0.221 30.021 30.300 -0.097 0.000 0.874 409 R HN 0.247 nan 8.270 nan 0.000 0.451 410 L N 2.813 123.950 121.223 -0.143 0.000 2.525 410 L HA 0.033 4.372 4.340 -0.002 0.000 0.278 410 L C -2.002 174.749 176.870 -0.199 0.000 1.218 410 L CA -1.630 53.096 54.840 -0.189 0.000 0.878 410 L CB -0.108 41.901 42.059 -0.083 0.000 1.127 410 L HN -0.148 nan 8.230 nan 0.000 0.492 411 P HA -0.027 nan 4.420 nan 0.000 0.266 411 P C 0.552 177.681 177.300 -0.285 0.000 1.195 411 P CA 0.036 62.951 63.100 -0.310 0.000 0.768 411 P CB 0.909 32.274 31.700 -0.557 0.000 0.838 412 S N 3.293 118.930 115.700 -0.106 0.000 2.380 412 S HA -0.167 4.302 4.470 -0.002 0.000 0.229 412 S C 1.527 176.134 174.600 0.011 0.000 1.043 412 S CA 1.546 59.725 58.200 -0.033 0.000 1.038 412 S CB -0.794 62.426 63.200 0.034 0.000 0.872 412 S HN 0.693 nan 8.310 nan 0.000 0.456 413 W N -0.210 121.121 121.300 0.052 0.000 2.363 413 W HA -0.101 4.557 4.660 -0.003 0.000 0.296 413 W C 1.836 178.403 176.519 0.081 0.000 1.212 413 W CA 0.551 57.927 57.345 0.053 0.000 1.260 413 W CB -1.200 28.293 29.460 0.054 0.000 1.131 413 W HN 0.386 nan 8.180 nan 0.000 0.530 414 F N 2.581 122.016 119.950 -0.857 0.000 2.163 414 F HA -0.007 4.519 4.527 -0.001 0.000 0.297 414 F C 2.551 178.157 175.800 -0.324 0.000 1.094 414 F CA 2.070 59.605 58.000 -0.775 0.000 1.290 414 F CB -0.359 37.990 39.000 -1.086 0.000 1.017 414 F HN -0.297 nan 8.300 nan 0.000 0.483 415 K N -0.100 120.207 120.400 -0.154 0.000 2.074 415 K HA -0.256 4.063 4.320 -0.002 0.000 0.209 415 K C 2.316 178.828 176.600 -0.146 0.000 1.048 415 K CA 1.792 57.994 56.287 -0.141 0.000 0.926 415 K CB -0.320 32.110 32.500 -0.117 0.000 0.713 415 K HN 0.206 nan 8.250 nan 0.000 0.444 416 R N 0.957 121.404 120.500 -0.088 0.000 2.081 416 R HA -0.144 4.195 4.340 -0.002 0.000 0.235 416 R C 2.368 178.629 176.300 -0.066 0.000 1.131 416 R CA 1.131 57.206 56.100 -0.041 0.000 0.960 416 R CB -0.250 30.070 30.300 0.033 0.000 0.856 416 R HN 0.117 nan 8.270 nan 0.000 0.436 417 L N 0.823 121.988 121.223 -0.097 0.000 1.976 417 L HA -0.159 4.180 4.340 -0.002 0.000 0.209 417 L C 2.116 178.849 176.870 -0.228 0.000 1.071 417 L CA 1.608 56.373 54.840 -0.126 0.000 0.746 417 L CB -0.715 41.282 42.059 -0.104 0.000 0.890 417 L HN 0.226 nan 8.230 nan 0.000 0.432 418 L N -0.756 120.214 121.223 -0.421 0.000 2.079 418 L HA -0.212 4.127 4.340 -0.002 0.000 0.210 418 L C 2.798 179.567 176.870 -0.170 0.000 1.081 418 L CA 2.050 56.677 54.840 -0.355 0.000 0.752 418 L CB -0.896 40.890 42.059 -0.455 0.000 0.896 418 L HN 0.558 nan 8.230 nan 0.000 0.433 419 S N -0.965 114.654 115.700 -0.136 0.000 2.359 419 S HA -0.198 4.271 4.470 -0.002 0.000 0.224 419 S C 2.031 176.602 174.600 -0.048 0.000 1.035 419 S CA 1.669 59.828 58.200 -0.068 0.000 1.018 419 S CB -0.357 62.812 63.200 -0.052 0.000 0.876 419 S HN 0.474 nan 8.310 nan 0.000 0.448 420 L N 0.416 121.607 121.223 -0.053 0.000 2.141 420 L HA -0.053 4.285 4.340 -0.002 0.000 0.209 420 L C 2.271 179.119 176.870 -0.036 0.000 1.094 420 L CA 0.515 55.334 54.840 -0.034 0.000 0.763 420 L CB -0.449 41.594 42.059 -0.026 0.000 0.908 420 L HN 0.325 nan 8.230 nan 0.000 0.437 421 L N -0.647 120.545 121.223 -0.052 0.000 2.072 421 L HA -0.124 4.215 4.340 -0.002 0.000 0.205 421 L C 2.267 179.125 176.870 -0.020 0.000 1.079 421 L CA 1.581 56.397 54.840 -0.040 0.000 0.752 421 L CB -0.584 41.441 42.059 -0.055 0.000 0.906 421 L HN 0.143 nan 8.230 nan 0.000 0.436 422 L N -1.017 120.202 121.223 -0.008 0.000 2.313 422 L HA -0.141 4.198 4.340 -0.002 0.000 0.214 422 L C 2.465 179.343 176.870 0.015 0.000 1.119 422 L CA 0.575 55.443 54.840 0.048 0.000 0.809 422 L CB -0.443 41.656 42.059 0.067 0.000 0.933 422 L HN 0.257 nan 8.230 nan 0.000 0.449 423 K N 0.775 121.170 120.400 -0.009 0.000 2.044 423 K HA -0.199 4.120 4.320 -0.002 0.000 0.210 423 K C -0.405 176.172 176.600 -0.038 0.000 1.049 423 K CA 1.790 58.069 56.287 -0.013 0.000 0.927 423 K CB -0.754 31.740 32.500 -0.009 0.000 0.713 423 K HN 0.168 nan 8.250 nan 0.000 0.443 424 P HA -0.155 nan 4.420 nan 0.000 0.215 424 P C 1.082 178.283 177.300 -0.164 0.000 1.157 424 P CA 1.170 64.216 63.100 -0.089 0.000 0.868 424 P CB 0.118 31.766 31.700 -0.086 0.000 0.788 425 L N -3.145 117.908 121.223 -0.284 0.000 2.168 425 L HA 0.115 4.454 4.340 -0.002 0.000 0.203 425 L C 0.937 177.341 176.870 -0.775 0.000 1.078 425 L CA 1.310 55.772 54.840 -0.629 0.000 0.780 425 L CB -0.431 41.062 42.059 -0.944 0.000 0.939 425 L HN -0.150 nan 8.230 nan 0.000 0.451 426 F N -0.446 119.475 119.950 -0.048 0.000 2.523 426 F HA 0.320 4.846 4.527 -0.002 0.000 0.322 426 F C -1.576 174.156 175.800 -0.114 0.000 1.361 426 F CA -1.566 56.379 58.000 -0.091 0.000 1.151 426 F CB 0.499 39.409 39.000 -0.150 0.000 1.391 426 F HN -0.086 nan 8.300 nan 0.000 0.566 427 P HA -0.178 nan 4.420 nan 0.000 0.218 427 P C 1.624 178.907 177.300 -0.028 0.000 1.148 427 P CA 1.399 64.514 63.100 0.025 0.000 0.822 427 P CB 0.232 31.975 31.700 0.071 0.000 0.784 428 R N -0.490 119.911 120.500 -0.166 0.000 2.081 428 R HA -0.028 4.311 4.340 -0.002 0.000 0.235 428 R C 2.502 178.670 176.300 -0.219 0.000 1.131 428 R CA 1.192 57.142 56.100 -0.251 0.000 0.960 428 R CB -0.909 29.027 30.300 -0.607 0.000 0.856 428 R HN 0.261 nan 8.270 nan 0.000 0.436 429 L N -0.152 120.847 121.223 -0.374 0.000 2.056 429 L HA -0.108 4.231 4.340 -0.002 0.000 0.207 429 L C 2.717 179.560 176.870 -0.046 0.000 1.078 429 L CA 1.181 55.800 54.840 -0.368 0.000 0.749 429 L CB -0.683 41.120 42.059 -0.427 0.000 0.901 429 L HN 0.201 nan 8.230 nan 0.000 0.433 430 A N 0.421 123.226 122.820 -0.024 0.000 1.877 430 A HA -0.180 4.139 4.320 -0.002 0.000 0.216 430 A C 2.573 180.182 177.584 0.042 0.000 1.186 430 A CA 1.856 53.898 52.037 0.008 0.000 0.620 430 A CB -0.760 18.244 19.000 0.007 0.000 0.822 430 A HN 0.392 nan 8.150 nan 0.000 0.443 431 A N -1.331 121.531 122.820 0.070 0.000 1.902 431 A HA -0.088 4.231 4.320 -0.002 0.000 0.217 431 A C 2.106 179.792 177.584 0.171 0.000 1.181 431 A CA 1.549 53.651 52.037 0.109 0.000 0.623 431 A CB -0.735 18.341 19.000 0.128 0.000 0.818 431 A HN 0.664 nan 8.150 nan 0.000 0.443 432 F N 0.368 120.357 119.950 0.065 0.000 2.075 432 F HA -0.173 4.353 4.527 -0.002 0.000 0.297 432 F C 2.017 177.850 175.800 0.055 0.000 1.113 432 F CA 1.774 59.851 58.000 0.129 0.000 1.218 432 F CB -0.143 39.017 39.000 0.268 0.000 0.984 432 F HN 0.144 nan 8.300 nan 0.000 0.472 433 L N 0.283 121.511 121.223 0.008 0.000 2.079 433 L HA -0.273 4.066 4.340 -0.002 0.000 0.210 433 L C 2.100 178.893 176.870 -0.128 0.000 1.081 433 L CA 1.596 56.359 54.840 -0.129 0.000 0.752 433 L CB -0.805 41.218 42.059 -0.060 0.000 0.896 433 L HN 0.258 nan 8.230 nan 0.000 0.433 434 N N 0.105 118.771 118.700 -0.057 0.000 2.216 434 N HA -0.146 4.592 4.740 -0.002 0.000 0.183 434 N C 1.384 176.867 175.510 -0.045 0.000 1.017 434 N CA 1.108 54.134 53.050 -0.040 0.000 0.861 434 N CB 0.015 38.500 38.487 -0.004 0.000 0.986 434 N HN 0.212 nan 8.380 nan 0.000 0.428 435 N N 0.116 118.789 118.700 -0.045 0.000 2.322 435 N HA 0.052 4.791 4.740 -0.002 0.000 0.194 435 N C 0.410 175.890 175.510 -0.050 0.000 1.126 435 N CA 0.190 53.224 53.050 -0.027 0.000 0.845 435 N CB 0.163 38.658 38.487 0.012 0.000 0.976 435 N HN 0.574 nan 8.380 nan 0.000 0.475 436 M N -1.375 118.134 119.600 -0.151 0.000 2.560 436 M HA 0.344 4.822 4.480 -0.002 0.000 0.297 436 M C -0.159 176.053 176.300 -0.146 0.000 1.201 436 M CA -0.277 54.905 55.300 -0.196 0.000 0.973 436 M CB 0.382 32.644 32.600 -0.565 0.000 1.401 436 M HN -0.274 nan 8.290 nan 0.000 0.497 437 R N 2.087 122.539 120.500 -0.080 0.000 2.500 437 R HA 0.551 4.889 4.340 -0.002 0.000 0.277 437 R C -2.430 173.861 176.300 -0.014 0.000 1.026 437 R CA -1.658 54.411 56.100 -0.052 0.000 1.058 437 R CB 0.302 30.580 30.300 -0.035 0.000 1.078 437 R HN 0.092 nan 8.270 nan 0.000 0.509 438 P HA 0.074 nan 4.420 nan 0.000 0.272 438 P C -1.067 176.237 177.300 0.007 0.000 1.223 438 P CA -0.041 63.064 63.100 0.008 0.000 0.784 438 P CB 0.798 32.504 31.700 0.010 0.000 0.923 439 R N -0.297 120.206 120.500 0.004 0.000 2.795 439 R HA 0.594 4.933 4.340 -0.002 0.000 0.268 439 R C -0.490 175.797 176.300 -0.022 0.000 1.041 439 R CA -0.826 55.272 56.100 -0.004 0.000 0.927 439 R CB 0.516 30.817 30.300 0.001 0.000 1.235 439 R HN 0.473 nan 8.270 nan 0.000 0.463 440 S N -0.151 115.525 115.700 -0.039 0.000 2.608 440 S HA 0.324 4.793 4.470 -0.002 0.000 0.261 440 S C 1.339 175.866 174.600 -0.122 0.000 1.314 440 S CA -0.201 57.952 58.200 -0.078 0.000 0.992 440 S CB 1.311 64.458 63.200 -0.089 0.000 0.935 440 S HN 0.808 nan 8.310 nan 0.000 0.564 441 A N 0.346 123.046 122.820 -0.201 0.000 1.902 441 A HA -0.098 4.221 4.320 -0.002 0.000 0.217 441 A C 2.128 179.391 177.584 -0.535 0.000 1.181 441 A CA 1.688 53.519 52.037 -0.343 0.000 0.623 441 A CB -1.272 17.474 19.000 -0.422 0.000 0.818 441 A HN 1.020 nan 8.150 nan 0.000 0.443 442 E N -0.136 119.783 120.200 -0.469 0.000 2.070 442 E HA -0.252 4.097 4.350 -0.002 0.000 0.197 442 E C 1.827 178.373 176.600 -0.090 0.000 1.004 442 E CA 1.573 57.774 56.400 -0.331 0.000 0.805 442 E CB -0.054 29.532 29.700 -0.190 0.000 0.744 442 E HN 0.445 nan 8.360 nan 0.000 0.451 443 K N 0.144 120.507 120.400 -0.061 0.000 2.155 443 K HA -0.111 4.207 4.320 -0.002 0.000 0.203 443 K C 2.186 178.818 176.600 0.053 0.000 1.052 443 K CA 0.389 56.685 56.287 0.016 0.000 0.948 443 K CB -0.241 32.262 32.500 0.005 0.000 0.728 443 K HN 0.198 nan 8.250 nan 0.000 0.448 444 L N 0.263 121.501 121.223 0.024 0.000 2.093 444 L HA -0.109 4.229 4.340 -0.002 0.000 0.208 444 L C 1.823 178.834 176.870 0.236 0.000 1.085 444 L CA 1.550 56.444 54.840 0.090 0.000 0.755 444 L CB -0.616 41.480 42.059 0.060 0.000 0.904 444 L HN 0.167 nan 8.230 nan 0.000 0.435 445 W N 0.552 121.875 121.300 0.039 0.000 2.335 445 W HA -0.211 4.448 4.660 -0.001 0.000 0.311 445 W C 2.766 179.332 176.519 0.078 0.000 1.213 445 W CA 1.571 58.945 57.345 0.048 0.000 1.274 445 W CB -1.104 28.375 29.460 0.032 0.000 1.148 445 W HN 0.230 nan 8.180 nan 0.000 0.498 446 K N 0.036 120.625 120.400 0.314 0.000 2.044 446 K HA -0.234 4.084 4.320 -0.002 0.000 0.210 446 K C 2.104 178.824 176.600 0.200 0.000 1.049 446 K CA 1.790 58.219 56.287 0.237 0.000 0.927 446 K CB -0.614 31.988 32.500 0.170 0.000 0.713 446 K HN 0.038 nan 8.250 nan 0.000 0.443 447 L N 1.582 122.897 121.223 0.152 0.000 2.056 447 L HA -0.164 4.175 4.340 -0.002 0.000 0.207 447 L C 2.134 179.061 176.870 0.095 0.000 1.078 447 L CA 1.638 56.534 54.840 0.094 0.000 0.749 447 L CB -0.379 41.714 42.059 0.056 0.000 0.901 447 L HN 0.251 nan 8.230 nan 0.000 0.433 448 Q N -1.488 118.396 119.800 0.140 0.000 2.079 448 Q HA -0.247 4.092 4.340 -0.002 0.000 0.200 448 Q C 2.154 178.245 176.000 0.152 0.000 0.974 448 Q CA 1.674 57.554 55.803 0.128 0.000 0.840 448 Q CB -0.382 28.444 28.738 0.145 0.000 0.898 448 Q HN 0.701 nan 8.270 nan 0.000 0.430 449 H N 0.758 119.873 119.070 0.075 0.000 2.387 449 H HA -0.096 4.459 4.556 -0.002 0.000 0.299 449 H C 1.531 176.912 175.328 0.088 0.000 1.090 449 H CA 1.154 57.242 56.048 0.065 0.000 1.332 449 H CB 0.436 30.237 29.762 0.065 0.000 1.386 449 H HN 0.307 nan 8.280 nan 0.000 0.516 450 E N 0.356 120.561 120.200 0.009 0.000 2.106 450 E HA -0.132 4.217 4.350 -0.002 0.000 0.192 450 E C 2.394 179.019 176.600 0.042 0.000 0.984 450 E CA 0.878 57.278 56.400 0.000 0.000 0.806 450 E CB 0.132 29.890 29.700 0.097 0.000 0.750 450 E HN 0.539 nan 8.360 nan 0.000 0.458 451 I N 1.252 121.841 120.570 0.033 0.000 2.226 451 I HA -0.283 3.886 4.170 -0.002 0.000 0.245 451 I C 2.707 178.875 176.117 0.085 0.000 1.100 451 I CA 1.203 62.533 61.300 0.049 0.000 1.374 451 I CB -0.226 37.786 38.000 0.020 0.000 1.057 451 I HN 0.160 nan 8.210 nan 0.000 0.413 452 E N 1.192 121.426 120.200 0.057 0.000 2.051 452 E HA -0.256 4.093 4.350 -0.002 0.000 0.192 452 E C 2.370 178.988 176.600 0.030 0.000 0.991 452 E CA 1.433 57.868 56.400 0.058 0.000 0.799 452 E CB -0.063 29.693 29.700 0.094 0.000 0.748 452 E HN 0.412 nan 8.360 nan 0.000 0.449 453 M N -0.335 119.238 119.600 -0.045 0.000 2.117 453 M HA -0.170 4.309 4.480 -0.002 0.000 0.262 453 M C 2.297 178.626 176.300 0.049 0.000 1.065 453 M CA 1.532 56.806 55.300 -0.043 0.000 1.114 453 M CB -0.484 32.028 32.600 -0.147 0.000 1.361 453 M HN 0.254 nan 8.290 nan 0.000 0.408 454 Y N 0.815 121.116 120.300 0.001 0.000 2.145 454 Y HA -0.265 4.284 4.550 -0.002 0.000 0.286 454 Y C 2.668 178.583 175.900 0.025 0.000 1.145 454 Y CA 1.787 59.908 58.100 0.035 0.000 1.148 454 Y CB -0.180 38.308 38.460 0.047 0.000 0.981 454 Y HN 0.073 nan 8.280 nan 0.000 0.507 455 R N -0.066 120.416 120.500 -0.029 0.000 2.083 455 R HA -0.214 4.125 4.340 -0.002 0.000 0.237 455 R C 2.208 178.500 176.300 -0.014 0.000 1.137 455 R CA 1.960 58.032 56.100 -0.046 0.000 0.951 455 R CB -0.192 30.150 30.300 0.070 0.000 0.851 455 R HN 0.413 nan 8.270 nan 0.000 0.434 456 Q N -0.077 119.724 119.800 0.001 0.000 2.167 456 Q HA -0.111 4.228 4.340 -0.002 0.000 0.202 456 Q C 2.155 178.154 176.000 -0.002 0.000 0.970 456 Q CA 1.757 57.570 55.803 0.016 0.000 0.855 456 Q CB -0.038 28.715 28.738 0.025 0.000 0.911 456 Q HN 0.461 nan 8.270 nan 0.000 0.438 457 S N -0.319 115.345 115.700 -0.060 0.000 2.368 457 S HA -0.079 4.390 4.470 -0.002 0.000 0.224 457 S C 2.111 176.674 174.600 -0.060 0.000 1.029 457 S CA 1.224 59.385 58.200 -0.064 0.000 0.988 457 S CB -0.519 62.630 63.200 -0.085 0.000 0.838 457 S HN 0.115 nan 8.310 nan 0.000 0.462 458 V N 2.016 121.835 119.914 -0.159 0.000 2.453 458 V HA -0.045 4.074 4.120 -0.002 0.000 0.247 458 V C 2.469 178.739 176.094 0.293 0.000 1.048 458 V CA 1.566 63.880 62.300 0.024 0.000 1.049 458 V CB -0.778 30.966 31.823 -0.131 0.000 0.672 458 V HN 0.475 nan 8.190 nan 0.000 0.457 459 I N 0.727 121.424 120.570 0.213 0.000 2.163 459 I HA -0.300 3.869 4.170 -0.002 0.000 0.243 459 I C 2.688 178.913 176.117 0.181 0.000 1.085 459 I CA 1.731 63.123 61.300 0.154 0.000 1.347 459 I CB -0.578 37.443 38.000 0.034 0.000 1.044 459 I HN 0.303 nan 8.210 nan 0.000 0.408 460 A N -0.280 122.620 122.820 0.133 0.000 1.933 460 A HA -0.279 4.040 4.320 -0.002 0.000 0.218 460 A C 2.282 179.979 177.584 0.187 0.000 1.175 460 A CA 1.667 53.780 52.037 0.125 0.000 0.628 460 A CB -0.647 18.398 19.000 0.075 0.000 0.814 460 A HN 0.482 nan 8.150 nan 0.000 0.444 461 Q N -1.614 118.329 119.800 0.238 0.000 2.050 461 Q HA -0.207 4.132 4.340 -0.002 0.000 0.202 461 Q C 2.049 178.365 176.000 0.527 0.000 0.980 461 Q CA 1.619 57.615 55.803 0.323 0.000 0.840 461 Q CB -0.258 28.650 28.738 0.282 0.000 0.898 461 Q HN 0.907 nan 8.270 nan 0.000 0.424 462 W N 1.645 123.144 121.300 0.332 0.000 2.335 462 W HA -0.204 4.455 4.660 -0.002 0.000 0.311 462 W C 1.464 177.979 176.519 -0.008 0.000 1.213 462 W CA 1.362 58.733 57.345 0.044 0.000 1.274 462 W CB -0.086 29.383 29.460 0.014 0.000 1.148 462 W HN 0.078 nan 8.180 nan 0.000 0.498 463 K N 0.162 120.786 120.400 0.374 0.000 2.148 463 K HA -0.088 4.230 4.320 -0.002 0.000 0.204 463 K C 2.118 178.800 176.600 0.137 0.000 1.050 463 K CA 1.319 57.739 56.287 0.221 0.000 0.942 463 K CB -0.770 31.817 32.500 0.146 0.000 0.724 463 K HN 0.126 nan 8.250 nan 0.000 0.446 464 A N 0.990 123.898 122.820 0.146 0.000 2.067 464 A HA -0.045 4.274 4.320 -0.002 0.000 0.219 464 A C 1.893 179.525 177.584 0.081 0.000 1.158 464 A CA 1.122 53.221 52.037 0.104 0.000 0.661 464 A CB -0.263 18.802 19.000 0.109 0.000 0.801 464 A HN 0.194 nan 8.150 nan 0.000 0.452 465 M N -1.300 118.345 119.600 0.076 0.000 2.356 465 M HA 0.146 4.625 4.480 -0.002 0.000 0.262 465 M C 0.389 176.655 176.300 -0.056 0.000 1.097 465 M CA -0.067 55.240 55.300 0.011 0.000 0.991 465 M CB -0.099 32.510 32.600 0.015 0.000 1.450 465 M HN 0.597 nan 8.290 nan 0.000 0.495 466 N N 2.125 120.813 118.700 -0.021 0.000 2.716 466 N HA -0.166 4.573 4.740 -0.002 0.000 0.250 466 N C -0.911 174.533 175.510 -0.110 0.000 1.033 466 N CA -0.208 52.830 53.050 -0.020 0.000 0.727 466 N CB -0.504 37.978 38.487 -0.008 0.000 0.950 466 N HN 0.396 nan 8.380 nan 0.000 0.541 467 L N 0.139 121.188 121.223 -0.289 0.000 2.439 467 L HA 0.084 4.423 4.340 -0.002 0.000 0.269 467 L C 1.428 178.173 176.870 -0.207 0.000 1.179 467 L CA -0.240 54.273 54.840 -0.544 0.000 0.828 467 L CB 0.521 41.712 42.059 -1.446 0.000 1.106 467 L HN 0.195 nan 8.230 nan 0.000 0.467 468 D N 0.820 121.103 120.400 -0.195 0.000 2.290 468 D HA 0.057 4.696 4.640 -0.002 0.000 0.224 468 D C 0.367 176.707 176.300 0.066 0.000 0.967 468 D CA 1.138 55.128 54.000 -0.017 0.000 0.893 468 D CB 0.650 41.394 40.800 -0.095 0.000 1.037 468 D HN 0.368 nan 8.370 nan 0.000 0.477 469 V N -1.536 118.225 119.914 -0.256 0.000 3.165 469 V HA 0.707 4.826 4.120 -0.002 0.000 0.309 469 V C -1.450 174.324 176.094 -0.532 0.000 1.267 469 V CA -1.130 61.025 62.300 -0.241 0.000 1.067 469 V CB 2.548 34.053 31.823 -0.530 0.000 1.082 469 V HN -0.038 nan 8.190 nan 0.000 0.451 470 L N 1.542 122.623 121.223 -0.236 0.000 2.436 470 L HA 0.825 5.164 4.340 -0.002 0.000 0.268 470 L C -1.370 175.566 176.870 0.111 0.000 0.974 470 L CA -0.562 54.182 54.840 -0.160 0.000 0.826 470 L CB 1.638 43.649 42.059 -0.079 0.000 1.291 470 L HN 0.926 nan 8.230 nan 0.000 0.406 471 L N 4.780 126.083 121.223 0.132 0.000 2.296 471 L HA 0.875 5.214 4.340 -0.002 0.000 0.286 471 L C -0.206 176.636 176.870 -0.048 0.000 1.023 471 L CA 0.497 55.445 54.840 0.180 0.000 0.812 471 L CB 1.570 43.790 42.059 0.269 0.000 1.223 471 L HN 0.903 nan 8.230 nan 0.000 0.421 472 T N 2.558 117.022 114.554 -0.150 0.000 2.883 472 T HA 0.765 5.113 4.350 -0.002 0.000 0.296 472 T C -2.926 171.635 174.700 -0.231 0.000 1.117 472 T CA -2.144 59.719 62.100 -0.395 0.000 1.006 472 T CB 1.961 70.599 68.868 -0.383 0.000 1.191 472 T HN 0.354 nan 8.240 nan 0.000 0.508 473 P HA 0.444 nan 4.420 nan 0.000 0.272 473 P C -0.991 176.083 177.300 -0.377 0.000 1.230 473 P CA -0.616 62.268 63.100 -0.359 0.000 0.788 473 P CB 0.327 31.687 31.700 -0.567 0.000 0.949 474 M N 2.741 122.177 119.600 -0.272 0.000 2.321 474 M HA 0.384 4.863 4.480 -0.002 0.000 0.315 474 M C -1.385 174.861 176.300 -0.090 0.000 1.052 474 M CA -1.546 53.661 55.300 -0.156 0.000 0.936 474 M CB 1.051 33.599 32.600 -0.086 0.000 1.639 474 M HN 0.072 nan 8.290 nan 0.000 0.433 475 L N 4.848 126.104 121.223 0.054 0.000 2.667 475 L HA 0.487 4.826 4.340 -0.002 0.000 0.278 475 L C 0.011 177.077 176.870 0.326 0.000 1.217 475 L CA 1.412 56.400 54.840 0.247 0.000 0.935 475 L CB -0.635 41.705 42.059 0.470 0.000 1.193 475 L HN 0.843 nan 8.230 nan 0.000 0.493 476 G N 5.215 114.110 108.800 0.157 0.000 2.579 476 G HA2 0.541 4.500 3.960 -0.002 0.000 0.292 476 G HA3 0.541 4.500 3.960 -0.002 0.000 0.292 476 G C -3.319 171.536 174.900 -0.075 0.000 1.484 476 G CA -0.677 44.445 45.100 0.037 0.000 0.813 476 G HN 0.462 nan 8.290 nan 0.000 0.515 477 P HA 0.552 nan 4.420 nan 0.000 0.310 477 P C 0.146 177.094 177.300 -0.588 0.000 1.309 477 P CA -0.228 62.706 63.100 -0.278 0.000 0.769 477 P CB 0.938 32.491 31.700 -0.245 0.000 1.327 478 A N 0.085 122.436 122.820 -0.783 0.000 2.566 478 A HA 0.132 4.451 4.320 -0.002 0.000 0.245 478 A C 0.261 177.440 177.584 -0.675 0.000 1.056 478 A CA 0.238 51.557 52.037 -1.195 0.000 0.757 478 A CB -1.279 17.405 19.000 -0.527 0.000 0.979 478 A HN 0.363 nan 8.150 nan 0.000 0.508 479 L N 2.676 123.519 121.223 -0.633 0.000 2.452 479 L HA 0.153 4.492 4.340 -0.002 0.000 0.267 479 L C 0.566 177.334 176.870 -0.169 0.000 1.188 479 L CA 0.275 54.959 54.840 -0.259 0.000 0.821 479 L CB 0.108 42.098 42.059 -0.114 0.000 1.102 479 L HN 0.626 nan 8.230 nan 0.000 0.470 480 D N 1.355 121.682 120.400 -0.122 0.000 2.443 480 D HA 0.056 4.695 4.640 -0.002 0.000 0.234 480 D C 0.138 176.397 176.300 -0.068 0.000 1.172 480 D CA 0.061 54.013 54.000 -0.081 0.000 0.878 480 D CB 0.314 41.074 40.800 -0.067 0.000 1.204 480 D HN 0.261 nan 8.370 nan 0.000 0.453 481 L N 2.073 123.269 121.223 -0.045 0.000 2.525 481 L HA -0.083 4.256 4.340 -0.002 0.000 0.278 481 L C 1.140 177.978 176.870 -0.052 0.000 1.218 481 L CA 0.453 55.270 54.840 -0.039 0.000 0.878 481 L CB -0.254 41.792 42.059 -0.022 0.000 1.127 481 L HN 0.554 nan 8.230 nan 0.000 0.492 482 N N -0.969 117.692 118.700 -0.065 0.000 2.878 482 N HA -0.230 4.509 4.740 -0.002 0.000 0.247 482 N C 0.765 176.224 175.510 -0.085 0.000 1.021 482 N CA 0.842 53.852 53.050 -0.068 0.000 0.873 482 N CB -0.874 37.588 38.487 -0.041 0.000 1.128 482 N HN 0.927 nan 8.380 nan 0.000 0.571 483 T N -4.726 109.761 114.554 -0.111 0.000 3.000 483 T HA 0.205 4.553 4.350 -0.002 0.000 0.248 483 T C -1.324 173.259 174.700 -0.195 0.000 1.034 483 T CA 0.195 62.226 62.100 -0.115 0.000 1.060 483 T CB -0.203 68.615 68.868 -0.083 0.000 0.983 483 T HN -0.096 nan 8.240 nan 0.000 0.482 484 P HA -0.020 nan 4.420 nan 0.000 0.216 484 P C 1.870 178.825 177.300 -0.575 0.000 1.153 484 P CA 1.628 64.259 63.100 -0.781 0.000 0.858 484 P CB -0.689 30.208 31.700 -1.338 0.000 0.789 485 G N -0.819 107.765 108.800 -0.360 0.000 2.498 485 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.219 485 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.219 485 G C 1.459 176.294 174.900 -0.109 0.000 1.119 485 G CA 0.374 45.361 45.100 -0.188 0.000 0.766 485 G HN 0.297 nan 8.290 nan 0.000 0.552 486 R N -0.490 119.947 120.500 -0.105 0.000 2.397 486 R HA 0.392 4.731 4.340 -0.002 0.000 0.241 486 R C 0.702 176.994 176.300 -0.014 0.000 0.914 486 R CA 0.306 56.399 56.100 -0.013 0.000 1.071 486 R CB 0.815 31.122 30.300 0.012 0.000 1.116 486 R HN 0.198 nan 8.270 nan 0.000 0.524 487 A N 0.375 123.106 122.820 -0.148 0.000 3.248 487 A HA 0.222 4.541 4.320 -0.002 0.000 0.315 487 A C 0.616 177.965 177.584 -0.392 0.000 0.974 487 A CA -0.438 51.494 52.037 -0.175 0.000 0.939 487 A CB 0.219 19.224 19.000 0.009 0.000 1.061 487 A HN -0.000 nan 8.150 nan 0.000 0.481 488 T N -0.105 113.854 114.554 -0.992 0.000 2.833 488 T HA -0.100 4.249 4.350 -0.002 0.000 0.269 488 T C 2.112 176.224 174.700 -0.980 0.000 1.054 488 T CA 2.016 63.509 62.100 -1.011 0.000 1.135 488 T CB -0.033 68.027 68.868 -1.347 0.000 0.869 488 T HN 0.692 nan 8.240 nan 0.000 0.466 489 G N 1.136 109.200 108.800 -1.226 0.000 2.450 489 G HA2 -0.066 3.893 3.960 -0.002 0.000 0.220 489 G HA3 -0.066 3.893 3.960 -0.002 0.000 0.220 489 G C 1.686 176.559 174.900 -0.045 0.000 1.130 489 G CA 0.746 45.623 45.100 -0.372 0.000 0.760 489 G HN 0.587 nan 8.290 nan 0.000 0.557 490 A N 0.609 123.396 122.820 -0.055 0.000 2.216 490 A HA 0.140 4.459 4.320 -0.002 0.000 0.214 490 A C 2.446 180.053 177.584 0.038 0.000 1.160 490 A CA 1.529 53.615 52.037 0.081 0.000 0.725 490 A CB -0.474 18.608 19.000 0.138 0.000 0.784 490 A HN 0.935 nan 8.150 nan 0.000 0.472 491 V N -1.163 118.697 119.914 -0.090 0.000 3.444 491 V HA -0.119 4.000 4.120 -0.002 0.000 0.271 491 V C 2.092 178.179 176.094 -0.012 0.000 1.188 491 V CA 1.853 64.161 62.300 0.013 0.000 1.168 491 V CB -1.404 30.377 31.823 -0.071 0.000 0.810 491 V HN 0.648 nan 8.190 nan 0.000 0.500 492 S N 0.052 115.727 115.700 -0.041 0.000 2.370 492 S HA -0.260 4.209 4.470 -0.002 0.000 0.226 492 S C 1.839 176.344 174.600 -0.158 0.000 1.033 492 S CA 1.785 59.886 58.200 -0.164 0.000 1.011 492 S CB -1.047 62.061 63.200 -0.153 0.000 0.852 492 S HN 0.628 nan 8.310 nan 0.000 0.457 493 Y N 3.108 123.456 120.300 0.079 0.000 2.242 493 Y HA -0.064 4.485 4.550 -0.002 0.000 0.291 493 Y C 3.270 179.214 175.900 0.074 0.000 1.137 493 Y CA 1.422 59.596 58.100 0.123 0.000 1.181 493 Y CB -1.004 37.538 38.460 0.135 0.000 0.989 493 Y HN 0.615 nan 8.280 nan 0.000 0.527 494 T N -3.569 111.016 114.554 0.052 0.000 2.953 494 T HA -0.107 4.242 4.350 -0.002 0.000 0.247 494 T C 1.864 176.527 174.700 -0.062 0.000 1.029 494 T CA 0.842 62.897 62.100 -0.074 0.000 1.144 494 T CB -0.616 67.958 68.868 -0.490 0.000 0.870 494 T HN 0.143 nan 8.240 nan 0.000 0.446 495 M N 1.515 121.048 119.600 -0.112 0.000 2.195 495 M HA 0.089 4.568 4.480 -0.002 0.000 0.260 495 M C 1.908 178.096 176.300 -0.187 0.000 1.066 495 M CA 1.001 56.224 55.300 -0.129 0.000 1.089 495 M CB -1.079 31.441 32.600 -0.132 0.000 1.377 495 M HN 0.290 nan 8.290 nan 0.000 0.411 496 L N -0.708 120.348 121.223 -0.279 0.000 2.079 496 L HA -0.185 4.153 4.340 -0.002 0.000 0.210 496 L C 1.497 178.018 176.870 -0.581 0.000 1.081 496 L CA 1.979 56.530 54.840 -0.481 0.000 0.752 496 L CB -0.863 40.795 42.059 -0.668 0.000 0.896 496 L HN 0.449 nan 8.230 nan 0.000 0.433 497 Y N -1.322 118.937 120.300 -0.068 0.000 2.500 497 Y HA 0.081 4.630 4.550 -0.002 0.000 0.270 497 Y C 2.131 177.987 175.900 -0.073 0.000 1.134 497 Y CA 0.542 58.589 58.100 -0.088 0.000 1.293 497 Y CB -0.704 37.759 38.460 0.005 0.000 1.063 497 Y HN 0.320 nan 8.280 nan 0.000 0.534 498 N N -0.908 117.792 118.700 -0.000 0.000 2.171 498 N HA -0.173 4.565 4.740 -0.002 0.000 0.184 498 N C 1.918 177.398 175.510 -0.050 0.000 1.021 498 N CA 1.379 54.416 53.050 -0.022 0.000 0.854 498 N CB -0.558 37.904 38.487 -0.042 0.000 0.994 498 N HN 0.301 nan 8.380 nan 0.000 0.426 499 C N 0.621 119.861 119.300 -0.099 0.000 2.413 499 C HA 0.003 4.462 4.460 -0.002 0.000 0.276 499 C C 2.253 177.206 174.990 -0.062 0.000 1.236 499 C CA 0.710 59.669 59.018 -0.099 0.000 1.735 499 C CB -1.181 26.465 27.740 -0.156 0.000 2.031 499 C HN 0.425 nan 8.230 nan 0.000 0.474 500 L N 0.113 121.254 121.223 -0.136 0.000 2.395 500 L HA 0.034 4.373 4.340 -0.002 0.000 0.218 500 L C 0.873 177.727 176.870 -0.026 0.000 1.130 500 L CA 1.280 55.982 54.840 -0.229 0.000 0.826 500 L CB -0.521 41.051 42.059 -0.811 0.000 0.941 500 L HN 0.387 nan 8.230 nan 0.000 0.451 501 D N 0.170 120.588 120.400 0.028 0.000 2.737 501 D HA -0.255 4.383 4.640 -0.002 0.000 0.238 501 D C -0.539 175.919 176.300 0.263 0.000 1.157 501 D CA 0.625 54.676 54.000 0.085 0.000 0.694 501 D CB -1.181 39.625 40.800 0.012 0.000 1.021 501 D HN 0.155 nan 8.370 nan 0.000 0.420 502 F N 0.082 120.017 119.950 -0.026 0.000 2.492 502 F HA 0.470 4.996 4.527 -0.002 0.000 0.327 502 F C -1.443 174.310 175.800 -0.079 0.000 1.079 502 F CA -2.550 55.404 58.000 -0.077 0.000 0.967 502 F CB 1.921 40.932 39.000 0.019 0.000 1.169 502 F HN -0.125 nan 8.300 nan 0.000 0.472 503 P HA 0.125 nan 4.420 nan 0.000 0.267 503 P C -1.308 176.013 177.300 0.034 0.000 1.205 503 P CA 0.062 63.167 63.100 0.008 0.000 0.765 503 P CB 0.949 32.631 31.700 -0.030 0.000 0.828 504 A N 2.806 125.639 122.820 0.021 0.000 2.437 504 A HA 0.746 5.065 4.320 -0.002 0.000 0.293 504 A C -0.302 177.273 177.584 -0.015 0.000 1.038 504 A CA -0.404 51.624 52.037 -0.015 0.000 0.708 504 A CB 1.655 20.640 19.000 -0.025 0.000 1.251 504 A HN 0.581 nan 8.150 nan 0.000 0.409 505 G N -0.178 108.608 108.800 -0.024 0.000 2.658 505 G HA2 0.832 4.790 3.960 -0.002 0.000 0.292 505 G HA3 0.832 4.790 3.960 -0.002 0.000 0.292 505 G C -0.725 174.138 174.900 -0.062 0.000 1.320 505 G CA -0.068 45.012 45.100 -0.034 0.000 0.933 505 G HN 1.965 nan 8.290 nan 0.000 0.476 506 V N -2.364 117.512 119.914 -0.063 0.000 2.823 506 V HA 0.883 5.002 4.120 -0.002 0.000 0.312 506 V C -0.816 175.238 176.094 -0.067 0.000 1.072 506 V CA -1.044 61.211 62.300 -0.076 0.000 0.937 506 V CB 1.570 33.348 31.823 -0.074 0.000 1.013 506 V HN 0.660 nan 8.190 nan 0.000 0.430 507 V N 3.881 123.745 119.914 -0.084 0.000 2.577 507 V HA 0.527 4.646 4.120 -0.002 0.000 0.303 507 V C -2.577 173.479 176.094 -0.062 0.000 1.042 507 V CA -1.796 60.461 62.300 -0.072 0.000 0.872 507 V CB 2.168 33.925 31.823 -0.110 0.000 0.998 507 V HN 0.891 nan 8.190 nan 0.000 0.423 508 P HA 0.137 nan 4.420 nan 0.000 0.271 508 P C 0.493 177.765 177.300 -0.047 0.000 1.220 508 P CA 0.252 63.327 63.100 -0.042 0.000 0.768 508 P CB 1.123 32.811 31.700 -0.020 0.000 0.848 509 V N 0.186 120.065 119.914 -0.059 0.000 3.562 509 V HA 0.334 4.453 4.120 -0.002 0.000 0.270 509 V C 0.522 176.587 176.094 -0.048 0.000 1.418 509 V CA 0.741 63.008 62.300 -0.054 0.000 1.033 509 V CB 0.381 32.165 31.823 -0.065 0.000 0.820 509 V HN 0.578 nan 8.190 nan 0.000 0.441 510 T N 0.507 115.024 114.554 -0.062 0.000 2.665 510 T HA 0.607 4.956 4.350 -0.002 0.000 0.303 510 T C -0.995 173.648 174.700 -0.095 0.000 1.334 510 T CA 0.550 62.614 62.100 -0.061 0.000 1.011 510 T CB 1.710 70.547 68.868 -0.051 0.000 1.573 510 T HN 0.837 nan 8.240 nan 0.000 0.492 511 T N -0.721 113.781 114.554 -0.087 0.000 2.906 511 T HA 0.690 5.038 4.350 -0.002 0.000 0.295 511 T C -0.525 174.122 174.700 -0.089 0.000 1.061 511 T CA -0.682 61.344 62.100 -0.123 0.000 1.000 511 T CB 1.157 69.958 68.868 -0.112 0.000 1.103 511 T HN 0.491 nan 8.240 nan 0.000 0.486 512 V N 3.663 123.514 119.914 -0.106 0.000 2.540 512 V HA 0.320 4.439 4.120 -0.002 0.000 0.297 512 V C 1.400 177.464 176.094 -0.050 0.000 1.024 512 V CA 0.086 62.340 62.300 -0.078 0.000 1.105 512 V CB 0.140 31.907 31.823 -0.093 0.000 0.938 512 V HN 1.200 nan 8.190 nan 0.000 0.482 513 T N 2.487 117.020 114.554 -0.034 0.000 2.902 513 T HA 0.589 4.938 4.350 -0.002 0.000 0.280 513 T C 1.309 175.998 174.700 -0.018 0.000 0.992 513 T CA -0.135 61.953 62.100 -0.020 0.000 1.015 513 T CB 1.741 70.601 68.868 -0.013 0.000 1.044 513 T HN 0.706 nan 8.240 nan 0.000 0.520 514 A N 0.203 123.017 122.820 -0.010 0.000 1.948 514 A HA -0.136 4.183 4.320 -0.002 0.000 0.220 514 A C 2.262 179.842 177.584 -0.007 0.000 1.177 514 A CA 2.078 54.110 52.037 -0.008 0.000 0.636 514 A CB -1.189 17.809 19.000 -0.003 0.000 0.815 514 A HN 1.046 nan 8.150 nan 0.000 0.449 515 E N -0.241 119.956 120.200 -0.005 0.000 2.058 515 E HA -0.257 4.092 4.350 -0.002 0.000 0.194 515 E C 1.346 177.945 176.600 -0.002 0.000 0.997 515 E CA 1.470 57.869 56.400 -0.001 0.000 0.801 515 E CB -0.177 29.524 29.700 0.001 0.000 0.746 515 E HN 0.560 nan 8.360 nan 0.000 0.450 516 D N 0.416 120.811 120.400 -0.007 0.000 2.123 516 D HA -0.177 4.462 4.640 -0.002 0.000 0.196 516 D C 1.618 177.909 176.300 -0.014 0.000 0.992 516 D CA 1.476 55.471 54.000 -0.010 0.000 0.833 516 D CB -0.419 40.367 40.800 -0.022 0.000 0.954 516 D HN 0.280 nan 8.370 nan 0.000 0.455 517 D N -0.102 120.285 120.400 -0.022 0.000 2.123 517 D HA -0.008 4.630 4.640 -0.002 0.000 0.200 517 D C 1.971 178.259 176.300 -0.020 0.000 0.976 517 D CA 1.340 55.322 54.000 -0.031 0.000 0.831 517 D CB -0.008 40.772 40.800 -0.034 0.000 0.974 517 D HN 0.076 nan 8.370 nan 0.000 0.469 518 A N 0.109 122.924 122.820 -0.009 0.000 1.940 518 A HA -0.230 4.089 4.320 -0.002 0.000 0.219 518 A C 2.091 179.679 177.584 0.008 0.000 1.176 518 A CA 1.486 53.522 52.037 -0.001 0.000 0.631 518 A CB -0.697 18.304 19.000 0.002 0.000 0.814 518 A HN 0.331 nan 8.150 nan 0.000 0.446 519 Q N -1.226 118.582 119.800 0.013 0.000 2.364 519 Q HA -0.049 4.290 4.340 -0.002 0.000 0.207 519 Q C 1.801 177.831 176.000 0.050 0.000 0.970 519 Q CA 0.831 56.652 55.803 0.030 0.000 0.888 519 Q CB -0.181 28.576 28.738 0.033 0.000 0.951 519 Q HN 0.523 nan 8.270 nan 0.000 0.469 520 M N 0.422 120.037 119.600 0.026 0.000 2.346 520 M HA -0.149 4.330 4.480 -0.002 0.000 0.263 520 M C 1.353 177.687 176.300 0.057 0.000 1.064 520 M CA 1.232 56.545 55.300 0.022 0.000 1.083 520 M CB -0.400 32.163 32.600 -0.061 0.000 1.399 520 M HN 0.158 nan 8.290 nan 0.000 0.435 521 E N 0.058 120.283 120.200 0.042 0.000 2.268 521 E HA -0.036 4.313 4.350 -0.002 0.000 0.195 521 E C 1.849 178.486 176.600 0.062 0.000 0.995 521 E CA 0.800 57.226 56.400 0.043 0.000 0.836 521 E CB -0.165 29.550 29.700 0.025 0.000 0.763 521 E HN 0.523 nan 8.360 nan 0.000 0.491 522 L N -0.116 121.151 121.223 0.073 0.000 2.607 522 L HA 0.115 4.454 4.340 -0.002 0.000 0.228 522 L C 0.476 177.395 176.870 0.082 0.000 1.123 522 L CA -0.344 54.533 54.840 0.062 0.000 0.890 522 L CB -0.106 41.979 42.059 0.043 0.000 1.103 522 L HN 0.004 nan 8.230 nan 0.000 0.468 523 Y N 1.059 121.348 120.300 -0.018 0.000 2.393 523 Y HA 0.079 4.628 4.550 -0.002 0.000 0.338 523 Y C 1.050 176.931 175.900 -0.033 0.000 1.029 523 Y CA 0.172 58.252 58.100 -0.032 0.000 1.239 523 Y CB 0.843 39.286 38.460 -0.028 0.000 1.170 523 Y HN -0.127 nan 8.280 nan 0.000 0.515 524 K N 3.864 124.084 120.400 -0.300 0.000 2.399 524 K HA 0.364 4.683 4.320 -0.002 0.000 0.196 524 K C 0.366 176.804 176.600 -0.271 0.000 1.103 524 K CA 0.573 56.753 56.287 -0.178 0.000 0.986 524 K CB 0.540 32.958 32.500 -0.137 0.000 0.952 524 K HN 1.001 nan 8.250 nan 0.000 0.541 525 G N 0.093 108.453 108.800 -0.734 0.000 2.787 525 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.685 525 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.685 525 G C -0.089 174.561 174.900 -0.416 0.000 1.437 525 G CA -0.260 44.524 45.100 -0.528 0.000 0.872 525 G HN 0.129 nan 8.290 nan 0.000 0.566 526 Y N -0.243 119.976 120.300 -0.134 0.000 2.519 526 Y HA 0.352 4.901 4.550 -0.002 0.000 0.287 526 Y C 2.345 177.932 175.900 -0.523 0.000 1.128 526 Y CA 1.335 59.227 58.100 -0.347 0.000 1.282 526 Y CB -0.037 38.136 38.460 -0.478 0.000 1.027 526 Y HN 0.454 nan 8.280 nan 0.000 0.551 527 F N -2.147 117.839 119.950 0.060 0.000 2.667 527 F HA 0.374 4.900 4.527 -0.002 0.000 0.288 527 F C 2.014 177.854 175.800 0.066 0.000 1.086 527 F CA 0.469 58.496 58.000 0.046 0.000 1.297 527 F CB 0.071 39.080 39.000 0.015 0.000 1.059 527 F HN -0.079 nan 8.300 nan 0.000 0.624 528 G N 1.422 110.354 108.800 0.220 0.000 2.168 528 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.257 528 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.257 528 G C -0.197 174.826 174.900 0.205 0.000 0.997 528 G CA 0.547 45.750 45.100 0.172 0.000 0.708 528 G HN 0.447 nan 8.290 nan 0.000 0.520 529 D N -0.346 120.164 120.400 0.183 0.000 2.447 529 D HA 0.440 5.079 4.640 -0.002 0.000 0.265 529 D C 2.129 178.346 176.300 -0.138 0.000 1.250 529 D CA -0.409 53.552 54.000 -0.064 0.000 1.046 529 D CB -0.003 40.689 40.800 -0.181 0.000 1.095 529 D HN 0.545 nan 8.370 nan 0.000 0.555 530 I N -3.627 116.750 120.570 -0.322 0.000 2.264 530 I HA -0.167 4.001 4.170 -0.002 0.000 0.248 530 I C 1.509 177.673 176.117 0.078 0.000 1.111 530 I CA 0.865 62.080 61.300 -0.141 0.000 1.382 530 I CB -0.536 37.361 38.000 -0.173 0.000 1.060 530 I HN 0.250 nan 8.210 nan 0.000 0.418 531 W N 2.086 123.336 121.300 -0.084 0.000 2.358 531 W HA -0.132 4.527 4.660 -0.002 0.000 0.303 531 W C 2.345 178.877 176.519 0.021 0.000 1.208 531 W CA 0.968 58.285 57.345 -0.047 0.000 1.274 531 W CB -1.217 28.194 29.460 -0.082 0.000 1.138 531 W HN 0.253 nan 8.180 nan 0.000 0.515 532 D N -0.267 120.298 120.400 0.275 0.000 2.144 532 D HA -0.107 4.532 4.640 -0.002 0.000 0.200 532 D C 2.281 178.708 176.300 0.213 0.000 0.978 532 D CA 1.236 55.390 54.000 0.256 0.000 0.833 532 D CB -0.485 40.446 40.800 0.217 0.000 0.961 532 D HN 0.117 nan 8.370 nan 0.000 0.470 533 I N 0.607 121.261 120.570 0.141 0.000 2.286 533 I HA -0.196 3.973 4.170 -0.002 0.000 0.245 533 I C 2.153 178.313 176.117 0.072 0.000 1.104 533 I CA 0.438 61.795 61.300 0.096 0.000 1.397 533 I CB 0.054 38.084 38.000 0.051 0.000 1.072 533 I HN -0.022 nan 8.210 nan 0.000 0.417 534 I N 0.154 120.770 120.570 0.077 0.000 2.252 534 I HA -0.256 3.913 4.170 -0.002 0.000 0.245 534 I C 2.528 178.661 176.117 0.026 0.000 1.102 534 I CA 1.511 62.839 61.300 0.047 0.000 1.385 534 I CB -1.006 37.030 38.000 0.061 0.000 1.064 534 I HN 0.240 nan 8.210 nan 0.000 0.414 535 L N 1.224 122.481 121.223 0.057 0.000 2.017 535 L HA -0.213 4.126 4.340 -0.002 0.000 0.208 535 L C 2.628 179.424 176.870 -0.123 0.000 1.073 535 L CA 1.905 56.748 54.840 0.004 0.000 0.745 535 L CB -0.778 41.330 42.059 0.080 0.000 0.894 535 L HN 0.161 nan 8.230 nan 0.000 0.432 536 K N -0.309 120.029 120.400 -0.104 0.000 2.001 536 K HA -0.309 4.009 4.320 -0.002 0.000 0.214 536 K C 2.354 178.867 176.600 -0.145 0.000 1.050 536 K CA 2.265 58.426 56.287 -0.210 0.000 0.934 536 K CB -0.293 32.240 32.500 0.055 0.000 0.718 536 K HN 0.273 nan 8.250 nan 0.000 0.443 537 K N -0.160 120.202 120.400 -0.063 0.000 2.063 537 K HA -0.153 4.166 4.320 -0.002 0.000 0.208 537 K C 1.996 178.549 176.600 -0.078 0.000 1.048 537 K CA 1.384 57.638 56.287 -0.054 0.000 0.928 537 K CB -0.215 32.269 32.500 -0.027 0.000 0.713 537 K HN 0.313 nan 8.250 nan 0.000 0.442 538 A N 0.726 123.495 122.820 -0.085 0.000 1.969 538 A HA -0.107 4.212 4.320 -0.002 0.000 0.218 538 A C 1.929 179.433 177.584 -0.132 0.000 1.169 538 A CA 1.404 53.383 52.037 -0.095 0.000 0.635 538 A CB -0.316 18.636 19.000 -0.080 0.000 0.810 538 A HN 0.342 nan 8.150 nan 0.000 0.445 539 M N -0.393 119.107 119.600 -0.165 0.000 2.561 539 M HA 0.063 4.542 4.480 -0.002 0.000 0.238 539 M C 0.228 176.431 176.300 -0.162 0.000 1.131 539 M CA 0.390 55.575 55.300 -0.192 0.000 1.046 539 M CB 0.048 32.505 32.600 -0.238 0.000 1.532 539 M HN 0.166 nan 8.290 nan 0.000 0.497 540 K N 1.138 121.459 120.400 -0.131 0.000 2.120 540 K HA 0.080 4.399 4.320 -0.002 0.000 0.245 540 K C 0.452 177.004 176.600 -0.080 0.000 1.024 540 K CA -0.347 55.883 56.287 -0.096 0.000 0.906 540 K CB 0.254 32.710 32.500 -0.073 0.000 1.051 540 K HN -0.036 nan 8.250 nan 0.000 0.491 541 N N 0.329 118.994 118.700 -0.060 0.000 2.714 541 N HA -0.169 4.569 4.740 -0.002 0.000 0.253 541 N C -0.983 174.494 175.510 -0.055 0.000 1.024 541 N CA 0.767 53.789 53.050 -0.047 0.000 0.726 541 N CB -1.149 37.316 38.487 -0.038 0.000 0.908 541 N HN 0.503 nan 8.380 nan 0.000 0.542 542 S N -1.467 114.194 115.700 -0.066 0.000 2.730 542 S HA 0.210 4.679 4.470 -0.002 0.000 0.244 542 S C 0.225 174.785 174.600 -0.067 0.000 1.022 542 S CA -0.316 57.835 58.200 -0.081 0.000 1.014 542 S CB 0.858 63.983 63.200 -0.124 0.000 0.963 542 S HN 0.258 nan 8.310 nan 0.000 0.540 543 V N 2.295 122.184 119.914 -0.041 0.000 2.644 543 V HA 0.266 4.385 4.120 -0.002 0.000 0.305 543 V C 1.573 177.660 176.094 -0.011 0.000 1.053 543 V CA 1.504 63.787 62.300 -0.027 0.000 1.186 543 V CB -0.080 31.736 31.823 -0.012 0.000 0.895 543 V HN 0.703 nan 8.190 nan 0.000 0.490 544 G N 3.620 112.408 108.800 -0.019 0.000 2.199 544 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.254 544 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.254 544 G C 0.098 174.948 174.900 -0.084 0.000 0.982 544 G CA 0.156 45.262 45.100 0.009 0.000 0.632 544 G HN 0.569 nan 8.290 nan 0.000 0.529 545 L N 2.381 123.506 121.223 -0.164 0.000 2.395 545 L HA 0.401 4.740 4.340 -0.002 0.000 0.269 545 L C -1.504 175.093 176.870 -0.456 0.000 1.133 545 L CA -1.990 52.634 54.840 -0.360 0.000 0.812 545 L CB 0.737 42.642 42.059 -0.256 0.000 1.125 545 L HN -0.017 nan 8.230 nan 0.000 0.452 546 P HA 0.153 nan 4.420 nan 0.000 0.275 546 P C -0.966 176.177 177.300 -0.262 0.000 1.228 546 P CA -0.170 62.632 63.100 -0.497 0.000 0.786 546 P CB 1.409 32.739 31.700 -0.618 0.000 0.927 547 V N 1.917 121.728 119.914 -0.172 0.000 2.638 547 V HA 0.667 4.786 4.120 -0.002 0.000 0.306 547 V C 0.320 176.369 176.094 -0.076 0.000 1.052 547 V CA -0.720 61.520 62.300 -0.100 0.000 0.885 547 V CB 1.652 33.419 31.823 -0.093 0.000 0.999 547 V HN 0.795 nan 8.190 nan 0.000 0.424 548 A N 3.815 126.606 122.820 -0.048 0.000 2.312 548 A HA 1.015 5.333 4.320 -0.002 0.000 0.310 548 A C -0.378 177.161 177.584 -0.076 0.000 1.139 548 A CA -0.481 51.523 52.037 -0.056 0.000 0.886 548 A CB 1.909 20.886 19.000 -0.038 0.000 1.350 548 A HN 1.485 nan 8.150 nan 0.000 0.479 549 V N -2.211 117.647 119.914 -0.093 0.000 3.046 549 V HA 0.743 4.862 4.120 -0.002 0.000 0.316 549 V C -0.513 175.513 176.094 -0.113 0.000 1.104 549 V CA -0.746 61.488 62.300 -0.110 0.000 1.006 549 V CB 1.372 33.125 31.823 -0.117 0.000 1.058 549 V HN 1.003 nan 8.190 nan 0.000 0.440 550 Q N 0.325 120.061 119.800 -0.106 0.000 2.282 550 Q HA 0.620 4.959 4.340 -0.002 0.000 0.260 550 Q C -1.586 174.373 176.000 -0.069 0.000 0.964 550 Q CA -0.512 55.238 55.803 -0.087 0.000 0.880 550 Q CB 1.854 30.560 28.738 -0.054 0.000 1.286 550 Q HN 0.989 nan 8.270 nan 0.000 0.445 551 C N 3.500 122.764 119.300 -0.061 0.000 2.369 551 C HA 0.744 5.203 4.460 -0.002 0.000 0.322 551 C C -0.620 174.424 174.990 0.091 0.000 1.258 551 C CA -0.657 58.391 59.018 0.050 0.000 1.487 551 C CB 0.721 28.384 27.740 -0.128 0.000 2.165 551 C HN 0.626 nan 8.230 nan 0.000 0.483 552 V N 2.605 122.619 119.914 0.166 0.000 2.735 552 V HA 0.957 5.076 4.120 -0.002 0.000 0.310 552 V C 0.163 176.419 176.094 0.270 0.000 1.061 552 V CA -0.196 62.162 62.300 0.097 0.000 0.913 552 V CB 1.789 33.545 31.823 -0.112 0.000 1.005 552 V HN 1.102 nan 8.190 nan 0.000 0.428 553 A N 3.065 125.977 122.820 0.155 0.000 2.524 553 A HA 0.914 5.233 4.320 -0.002 0.000 0.286 553 A C -0.905 176.411 177.584 -0.447 0.000 1.203 553 A CA -0.806 51.262 52.037 0.052 0.000 0.736 553 A CB 1.123 20.140 19.000 0.028 0.000 1.322 553 A HN 0.725 nan 8.150 nan 0.000 0.424 554 L N 0.736 121.504 121.223 -0.759 0.000 2.472 554 L HA 0.276 4.614 4.340 -0.002 0.000 0.260 554 L C -2.021 174.387 176.870 -0.769 0.000 1.209 554 L CA -1.641 52.482 54.840 -1.195 0.000 0.817 554 L CB 0.311 41.765 42.059 -1.008 0.000 1.106 554 L HN 0.395 nan 8.230 nan 0.000 0.479 555 P HA -0.121 nan 4.420 nan 0.000 0.265 555 P C -0.860 176.230 177.300 -0.350 0.000 1.187 555 P CA 0.419 63.162 63.100 -0.596 0.000 0.766 555 P CB 0.089 31.455 31.700 -0.558 0.000 0.820 556 W N 0.027 121.252 121.300 -0.125 0.000 2.869 556 W HA -0.187 4.472 4.660 -0.002 0.000 0.285 556 W C 0.344 176.800 176.519 -0.105 0.000 1.098 556 W CA 0.007 57.296 57.345 -0.092 0.000 0.571 556 W CB -2.326 27.080 29.460 -0.090 0.000 2.131 556 W HN 0.362 nan 8.180 nan 0.000 1.367 557 Q N 0.355 120.154 119.800 -0.002 0.000 2.553 557 Q HA 0.160 4.499 4.340 -0.002 0.000 0.395 557 Q C 1.105 177.097 176.000 -0.013 0.000 0.971 557 Q CA 0.158 55.947 55.803 -0.022 0.000 1.090 557 Q CB 0.625 29.317 28.738 -0.076 0.000 1.328 557 Q HN 0.319 nan 8.270 nan 0.000 0.413 558 E N 0.632 120.838 120.200 0.010 0.000 2.106 558 E HA -0.183 4.166 4.350 -0.002 0.000 0.192 558 E C 1.216 177.827 176.600 0.019 0.000 0.984 558 E CA 1.206 57.624 56.400 0.030 0.000 0.806 558 E CB 0.350 30.094 29.700 0.074 0.000 0.750 558 E HN 0.384 nan 8.360 nan 0.000 0.458 559 E N 0.034 120.186 120.200 -0.080 0.000 2.072 559 E HA -0.140 4.208 4.350 -0.002 0.000 0.191 559 E C 1.839 178.482 176.600 0.072 0.000 0.985 559 E CA 0.625 56.945 56.400 -0.134 0.000 0.801 559 E CB -0.184 29.293 29.700 -0.372 0.000 0.750 559 E HN 0.126 nan 8.360 nan 0.000 0.452 560 L N 0.414 121.664 121.223 0.046 0.000 2.093 560 L HA -0.103 4.236 4.340 -0.002 0.000 0.208 560 L C 2.200 179.158 176.870 0.147 0.000 1.085 560 L CA 1.551 56.442 54.840 0.085 0.000 0.755 560 L CB -0.759 41.325 42.059 0.042 0.000 0.904 560 L HN 0.328 nan 8.230 nan 0.000 0.435 561 C N -0.667 118.711 119.300 0.131 0.000 2.429 561 C HA -0.155 4.304 4.460 -0.002 0.000 0.277 561 C C 2.736 177.843 174.990 0.194 0.000 1.262 561 C CA 1.103 60.226 59.018 0.174 0.000 1.733 561 C CB -1.084 26.720 27.740 0.107 0.000 2.010 561 C HN 0.619 nan 8.230 nan 0.000 0.483 562 L N 0.602 121.940 121.223 0.191 0.000 2.056 562 L HA -0.079 4.260 4.340 -0.002 0.000 0.207 562 L C 3.040 180.144 176.870 0.389 0.000 1.078 562 L CA 1.470 56.459 54.840 0.248 0.000 0.749 562 L CB -0.862 41.309 42.059 0.187 0.000 0.901 562 L HN 0.339 nan 8.230 nan 0.000 0.433 563 R N 0.431 121.175 120.500 0.406 0.000 2.119 563 R HA -0.266 4.072 4.340 -0.002 0.000 0.246 563 R C 2.272 178.691 176.300 0.198 0.000 1.146 563 R CA 2.129 58.364 56.100 0.224 0.000 0.962 563 R CB -0.727 29.659 30.300 0.145 0.000 0.863 563 R HN 0.396 nan 8.270 nan 0.000 0.442 564 F N 0.365 120.339 119.950 0.039 0.000 2.187 564 F HA -0.109 4.417 4.527 -0.002 0.000 0.295 564 F C 2.374 178.168 175.800 -0.009 0.000 1.091 564 F CA 0.957 58.943 58.000 -0.024 0.000 1.308 564 F CB -0.054 38.924 39.000 -0.036 0.000 1.030 564 F HN -0.056 nan 8.300 nan 0.000 0.487 565 M N 0.289 119.810 119.600 -0.133 0.000 2.080 565 M HA -0.257 4.222 4.480 -0.002 0.000 0.260 565 M C 2.364 178.610 176.300 -0.090 0.000 1.068 565 M CA 1.980 57.160 55.300 -0.200 0.000 1.109 565 M CB -0.599 31.966 32.600 -0.058 0.000 1.342 565 M HN 0.126 nan 8.290 nan 0.000 0.405 566 R N 0.414 120.940 120.500 0.043 0.000 2.091 566 R HA -0.232 4.107 4.340 -0.002 0.000 0.238 566 R C 1.974 178.276 176.300 0.004 0.000 1.136 566 R CA 2.043 58.178 56.100 0.059 0.000 0.959 566 R CB -0.143 30.216 30.300 0.098 0.000 0.856 566 R HN 0.248 nan 8.270 nan 0.000 0.437 567 E N -0.190 120.010 120.200 0.000 0.000 2.072 567 E HA -0.116 4.233 4.350 -0.002 0.000 0.191 567 E C 1.842 178.420 176.600 -0.037 0.000 0.985 567 E CA 1.412 57.822 56.400 0.017 0.000 0.801 567 E CB -0.043 29.704 29.700 0.078 0.000 0.750 567 E HN 0.195 nan 8.360 nan 0.000 0.452 568 V N 0.971 120.788 119.914 -0.162 0.000 2.295 568 V HA -0.250 3.868 4.120 -0.002 0.000 0.246 568 V C 2.437 178.470 176.094 -0.101 0.000 1.049 568 V CA 2.237 64.426 62.300 -0.186 0.000 1.024 568 V CB -0.602 31.000 31.823 -0.369 0.000 0.648 568 V HN 0.426 nan 8.190 nan 0.000 0.447 569 E N -0.346 119.803 120.200 -0.085 0.000 2.058 569 E HA -0.306 4.043 4.350 -0.002 0.000 0.194 569 E C 2.334 178.925 176.600 -0.015 0.000 0.997 569 E CA 1.602 57.978 56.400 -0.039 0.000 0.801 569 E CB -0.185 29.505 29.700 -0.016 0.000 0.746 569 E HN 0.562 nan 8.360 nan 0.000 0.450 570 Q N 0.382 120.179 119.800 -0.005 0.000 2.079 570 Q HA -0.138 4.201 4.340 -0.002 0.000 0.200 570 Q C 2.382 178.387 176.000 0.009 0.000 0.974 570 Q CA 1.139 56.948 55.803 0.009 0.000 0.840 570 Q CB -0.046 28.702 28.738 0.017 0.000 0.898 570 Q HN 0.414 nan 8.270 nan 0.000 0.430 571 L N -0.355 120.873 121.223 0.008 0.000 2.156 571 L HA -0.121 4.218 4.340 -0.002 0.000 0.208 571 L C 2.356 179.226 176.870 0.000 0.000 1.095 571 L CA 0.611 55.459 54.840 0.013 0.000 0.770 571 L CB -0.200 41.875 42.059 0.027 0.000 0.914 571 L HN 0.205 nan 8.230 nan 0.000 0.439 572 M N -1.297 118.296 119.600 -0.012 0.000 2.545 572 M HA 0.103 4.582 4.480 -0.002 0.000 0.264 572 M C 0.781 177.076 176.300 -0.008 0.000 1.155 572 M CA 0.783 56.073 55.300 -0.016 0.000 1.162 572 M CB -0.262 32.318 32.600 -0.034 0.000 1.330 572 M HN 0.240 nan 8.290 nan 0.000 0.479 573 T N -2.188 112.363 114.554 -0.004 0.000 3.428 573 T HA 0.391 4.740 4.350 -0.002 0.000 0.301 573 T C -2.542 172.166 174.700 0.012 0.000 1.323 573 T CA -1.243 60.861 62.100 0.007 0.000 1.647 573 T CB 1.175 70.049 68.868 0.011 0.000 0.871 573 T HN -0.100 nan 8.240 nan 0.000 0.627 574 P HA -0.019 nan 4.420 nan 0.000 0.226 574 P C 1.461 178.772 177.300 0.019 0.000 1.153 574 P CA 0.722 63.831 63.100 0.015 0.000 0.777 574 P CB 0.166 31.874 31.700 0.013 0.000 0.794 575 Q N -0.726 119.087 119.800 0.021 0.000 2.425 575 Q HA 0.041 4.380 4.340 -0.002 0.000 0.204 575 Q C 1.659 177.677 176.000 0.029 0.000 0.933 575 Q CA 0.644 56.461 55.803 0.024 0.000 0.939 575 Q CB -0.169 28.584 28.738 0.025 0.000 1.044 575 Q HN 0.260 nan 8.270 nan 0.000 0.513 576 K N 1.122 121.541 120.400 0.031 0.000 2.283 576 K HA -0.050 4.269 4.320 -0.002 0.000 0.202 576 K C 0.797 177.419 176.600 0.037 0.000 1.048 576 K CA 0.675 56.984 56.287 0.036 0.000 0.948 576 K CB 0.292 32.813 32.500 0.036 0.000 0.742 576 K HN 0.498 nan 8.250 nan 0.000 0.458 577 Q N 0.048 119.868 119.800 0.033 0.000 2.496 577 Q HA 0.462 4.800 4.340 -0.002 0.000 0.286 577 Q C -2.564 173.453 176.000 0.028 0.000 1.103 577 Q CA -2.123 53.700 55.803 0.034 0.000 0.813 577 Q CB 1.150 29.910 28.738 0.036 0.000 1.444 577 Q HN -0.182 nan 8.270 nan 0.000 0.443 578 P HA 0.000 nan 4.420 nan 0.000 0.216 578 P CA 0.000 63.113 63.100 0.022 0.000 0.800 578 P CB 0.000 31.714 31.700 0.023 0.000 0.726