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 2ish_1_B DATA FIRST_RESID 2 DATA SEQUENCE PFVNKQFNYK DPVNGVDIAY IKIPNAGQMQ PVKAFKIHNK IWVIPERDTF DATA SEQUENCE TNPEEGDLNP PPEAKQVPVS YYDSTYLSTD NEKDNYLKGV TKLFERIYST DATA SEQUENCE DLGRMLLTSI VRGIPFWGGS TIDTELKVID TNCINVIQPD GSYRSEELNL DATA SEQUENCE VIIGPSADII QFECKSFGHE VLNLTRNGYG STQYIRFSPD FTFGFEESLE DATA SEQUENCE VDTNPLLGAG KFATDPAVTL AHELIHAGHR LYGIAINPNR VFKVNTNAYY DATA SEQUENCE EMSGLEVSFE ELRTFGGHDA KFIDSLQENE FRLYYYNKFK DIASTLNKAK DATA SEQUENCE SIVGTTASLQ YMKNVFKEKY LLSEDTSGKF SVDKLKFDKL YKMLTEIYTE DATA SEQUENCE DNFVKFFKVL NRKTYLNFDK AVFKINIVPK VNYTIYDGFN LRNTNLAANF DATA SEQUENCE NGQNTEINNM NFTKLK 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.010 177.300 -0.484 0.000 1.155 2 P CA 0.000 62.782 63.100 -0.530 0.000 0.800 2 P CB 0.000 31.249 31.700 -0.752 0.000 0.726 3 F N 1.766 121.113 119.950 -1.006 0.000 2.604 3 F HA 0.200 4.727 4.527 -0.000 0.000 0.390 3 F C -0.125 175.524 175.800 -0.251 0.000 1.053 3 F CA 0.023 57.614 58.000 -0.681 0.000 1.256 3 F CB 0.175 38.666 39.000 -0.848 0.000 0.996 3 F HN -0.035 nan 8.300 nan 0.000 0.564 4 V N 8.096 127.573 119.914 -0.727 0.000 2.304 4 V HA 0.073 4.193 4.120 -0.000 0.000 0.269 4 V C 0.837 176.316 176.094 -1.025 0.000 1.036 4 V CA -0.586 61.316 62.300 -0.663 0.000 0.840 4 V CB 0.717 32.273 31.823 -0.446 0.000 1.036 4 V HN 0.820 nan 8.190 nan 0.000 0.466 5 N N 4.754 122.964 118.700 -0.816 0.000 2.617 5 N HA -0.071 4.669 4.740 -0.000 0.000 0.198 5 N C 0.072 175.292 175.510 -0.482 0.000 1.317 5 N CA 0.039 52.701 53.050 -0.647 0.000 0.892 5 N CB 0.024 38.313 38.487 -0.330 0.000 1.041 5 N HN 0.891 nan 8.380 nan 0.000 0.450 6 K N -0.640 119.402 120.400 -0.597 0.000 2.577 6 K HA 0.037 4.356 4.320 -0.000 0.000 0.267 6 K C -1.312 174.784 176.600 -0.839 0.000 0.979 6 K CA -0.769 55.178 56.287 -0.568 0.000 0.942 6 K CB 0.254 32.468 32.500 -0.477 0.000 1.343 6 K HN -0.046 nan 8.250 nan 0.000 0.436 7 Q N 3.891 123.374 119.800 -0.527 0.000 2.553 7 Q HA 0.182 4.522 4.340 -0.000 0.000 0.221 7 Q C -0.572 175.275 176.000 -0.256 0.000 1.219 7 Q CA -0.276 55.274 55.803 -0.421 0.000 0.955 7 Q CB -0.742 27.878 28.738 -0.196 0.000 1.399 7 Q HN 0.470 nan 8.270 nan 0.000 0.551 8 F N 0.261 120.175 119.950 -0.060 0.000 2.390 8 F HA 0.491 5.018 4.527 -0.000 0.000 0.307 8 F C 0.468 176.245 175.800 -0.038 0.000 1.227 8 F CA -1.389 56.600 58.000 -0.018 0.000 1.179 8 F CB 0.051 39.084 39.000 0.056 0.000 1.280 8 F HN 0.212 nan 8.300 nan 0.000 0.548 9 N N -0.844 118.015 118.700 0.264 0.000 2.292 9 N HA 0.093 4.833 4.740 -0.000 0.000 0.303 9 N C 0.204 175.802 175.510 0.147 0.000 1.140 9 N CA -0.589 52.550 53.050 0.148 0.000 0.788 9 N CB 1.543 40.106 38.487 0.127 0.000 1.361 9 N HN 0.762 nan 8.380 nan 0.000 0.489 10 Y N 1.879 122.173 120.300 -0.010 0.000 2.193 10 Y HA -0.170 4.380 4.550 -0.000 0.000 0.285 10 Y C 1.765 177.794 175.900 0.215 0.000 1.166 10 Y CA 1.821 59.971 58.100 0.084 0.000 1.181 10 Y CB 0.236 38.715 38.460 0.031 0.000 0.976 10 Y HN 0.357 nan 8.280 nan 0.000 0.520 11 K N 0.527 121.035 120.400 0.179 0.000 2.362 11 K HA -0.073 4.247 4.320 -0.000 0.000 0.200 11 K C -0.072 176.556 176.600 0.047 0.000 1.046 11 K CA 0.569 56.918 56.287 0.102 0.000 0.952 11 K CB -0.754 31.822 32.500 0.128 0.000 0.753 11 K HN 0.353 nan 8.250 nan 0.000 0.466 12 D N 2.874 123.322 120.400 0.080 0.000 2.548 12 D HA -0.035 4.605 4.640 -0.000 0.000 0.231 12 D C -2.143 174.157 176.300 -0.001 0.000 1.142 12 D CA -0.702 53.339 54.000 0.069 0.000 0.866 12 D CB 0.239 41.122 40.800 0.139 0.000 1.190 12 D HN 0.104 nan 8.370 nan 0.000 0.469 13 P HA -0.011 nan 4.420 nan 0.000 0.271 13 P C -0.080 177.193 177.300 -0.046 0.000 1.216 13 P CA -0.475 62.617 63.100 -0.013 0.000 0.776 13 P CB 0.836 32.539 31.700 0.006 0.000 0.881 14 V N 3.333 123.219 119.914 -0.046 0.000 2.585 14 V HA -0.034 4.086 4.120 -0.000 0.000 0.296 14 V C 1.057 177.133 176.094 -0.030 0.000 1.035 14 V CA 0.436 62.698 62.300 -0.063 0.000 1.084 14 V CB -0.433 31.408 31.823 0.030 0.000 0.953 14 V HN 0.743 nan 8.190 nan 0.000 0.483 15 N N 4.133 122.808 118.700 -0.041 0.000 2.171 15 N HA 0.302 5.042 4.740 -0.000 0.000 0.212 15 N C 1.088 176.597 175.510 -0.002 0.000 1.184 15 N CA 0.428 53.468 53.050 -0.016 0.000 0.888 15 N CB 0.827 39.304 38.487 -0.015 0.000 1.038 15 N HN 1.166 nan 8.380 nan 0.000 0.517 16 G N -0.567 108.237 108.800 0.006 0.000 2.196 16 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.268 16 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.268 16 G C 0.598 175.535 174.900 0.061 0.000 0.975 16 G CA 1.045 46.168 45.100 0.038 0.000 0.648 16 G HN 0.277 nan 8.290 nan 0.000 0.538 17 V N 0.609 120.543 119.914 0.033 0.000 2.868 17 V HA 0.201 4.321 4.120 -0.000 0.000 0.227 17 V C 1.883 177.969 176.094 -0.014 0.000 1.136 17 V CA 1.840 64.159 62.300 0.031 0.000 1.206 17 V CB 0.069 31.891 31.823 -0.002 0.000 0.997 17 V HN 0.456 nan 8.190 nan 0.000 0.505 18 D N -0.726 119.612 120.400 -0.103 0.000 2.431 18 D HA 0.215 4.855 4.640 -0.000 0.000 0.213 18 D C 0.098 176.200 176.300 -0.331 0.000 1.130 18 D CA 0.201 54.037 54.000 -0.273 0.000 0.834 18 D CB 0.384 41.090 40.800 -0.157 0.000 0.985 18 D HN 0.428 nan 8.370 nan 0.000 0.504 19 I N 0.810 121.235 120.570 -0.242 0.000 2.531 19 I HA 0.642 4.812 4.170 -0.000 0.000 0.283 19 I C -0.930 175.021 176.117 -0.276 0.000 1.083 19 I CA -0.644 60.400 61.300 -0.427 0.000 1.071 19 I CB 1.727 39.504 38.000 -0.371 0.000 1.210 19 I HN 0.091 nan 8.210 nan 0.000 0.450 20 A N 4.609 127.264 122.820 -0.275 0.000 2.586 20 A HA 0.740 5.060 4.320 -0.000 0.000 0.290 20 A C -2.105 175.339 177.584 -0.235 0.000 1.086 20 A CA -0.498 51.459 52.037 -0.134 0.000 0.665 20 A CB 1.107 20.135 19.000 0.046 0.000 1.279 20 A HN 0.440 nan 8.150 nan 0.000 0.423 21 Y N 0.502 120.744 120.300 -0.097 0.000 2.313 21 Y HA 0.582 5.132 4.550 -0.000 0.000 0.332 21 Y C 0.725 176.576 175.900 -0.081 0.000 1.071 21 Y CA 0.465 58.510 58.100 -0.090 0.000 1.169 21 Y CB 1.147 39.569 38.460 -0.062 0.000 1.192 21 Y HN 0.694 nan 8.280 nan 0.000 0.487 22 I N 0.007 120.556 120.570 -0.035 0.000 3.145 22 I HA 0.768 4.938 4.170 -0.000 0.000 0.313 22 I C -1.466 174.555 176.117 -0.160 0.000 1.122 22 I CA -1.413 59.812 61.300 -0.124 0.000 0.987 22 I CB 2.718 40.544 38.000 -0.290 0.000 1.236 22 I HN 0.435 nan 8.210 nan 0.000 0.453 23 K N 3.505 123.770 120.400 -0.226 0.000 2.422 23 K HA 0.663 4.983 4.320 -0.000 0.000 0.251 23 K C -1.195 175.266 176.600 -0.232 0.000 0.933 23 K CA -0.765 55.364 56.287 -0.263 0.000 0.798 23 K CB 2.262 34.541 32.500 -0.369 0.000 1.238 23 K HN 0.790 nan 8.250 nan 0.000 0.428 24 I N 0.302 120.774 120.570 -0.163 0.000 2.577 24 I HA 0.574 4.744 4.170 -0.000 0.000 0.305 24 I C -2.074 173.933 176.117 -0.182 0.000 0.986 24 I CA -2.739 58.514 61.300 -0.078 0.000 1.189 24 I CB 1.754 39.813 38.000 0.099 0.000 1.355 24 I HN 0.517 nan 8.210 nan 0.000 0.476 25 P HA 0.030 nan 4.420 nan 0.000 0.235 25 P C -0.709 176.105 177.300 -0.810 0.000 1.720 25 P CA 0.072 62.875 63.100 -0.496 0.000 1.003 25 P CB -0.588 30.812 31.700 -0.500 0.000 1.968 26 N N 2.024 120.483 118.700 -0.402 0.000 2.094 26 N HA 0.028 4.768 4.740 -0.000 0.000 0.182 26 N C 0.977 176.380 175.510 -0.178 0.000 1.083 26 N CA 0.971 53.903 53.050 -0.198 0.000 0.931 26 N CB -0.844 37.647 38.487 0.006 0.000 1.056 26 N HN 0.158 nan 8.380 nan 0.000 0.454 27 A N -2.437 120.336 122.820 -0.079 0.000 2.574 27 A HA 0.669 4.989 4.320 -0.000 0.000 0.246 27 A C 0.321 177.879 177.584 -0.043 0.000 1.025 27 A CA 0.192 52.194 52.037 -0.059 0.000 1.043 27 A CB -0.176 18.819 19.000 -0.008 0.000 1.177 27 A HN 0.906 nan 8.150 nan 0.000 0.526 28 G N -0.077 108.694 108.800 -0.047 0.000 2.393 28 G HA2 0.446 4.406 3.960 -0.000 0.000 0.264 28 G HA3 0.446 4.406 3.960 -0.000 0.000 0.264 28 G C -1.402 173.477 174.900 -0.034 0.000 1.221 28 G CA -0.026 45.055 45.100 -0.032 0.000 0.912 28 G HN 0.693 nan 8.290 nan 0.000 0.483 29 Q N 0.145 119.937 119.800 -0.013 0.000 2.349 29 Q HA 0.582 4.922 4.340 -0.000 0.000 0.254 29 Q C 0.160 176.171 176.000 0.017 0.000 0.980 29 Q CA -0.474 55.325 55.803 -0.007 0.000 0.924 29 Q CB 0.924 29.666 28.738 0.007 0.000 1.209 29 Q HN 0.739 nan 8.270 nan 0.000 0.445 30 M N 0.261 119.865 119.600 0.007 0.000 2.762 30 M HA 0.470 4.950 4.480 -0.000 0.000 0.306 30 M C -0.570 175.743 176.300 0.022 0.000 1.223 30 M CA -1.182 54.148 55.300 0.050 0.000 0.896 30 M CB 1.722 34.356 32.600 0.058 0.000 1.684 30 M HN 0.422 nan 8.290 nan 0.000 0.491 31 Q N 2.901 122.738 119.800 0.063 0.000 2.307 31 Q HA 0.392 4.732 4.340 -0.000 0.000 0.259 31 Q C -2.395 173.570 176.000 -0.058 0.000 0.998 31 Q CA -1.577 54.253 55.803 0.044 0.000 0.923 31 Q CB 0.645 29.458 28.738 0.126 0.000 1.196 31 Q HN 0.375 nan 8.270 nan 0.000 0.416 32 P HA -0.058 nan 4.420 nan 0.000 0.265 32 P C -0.879 176.461 177.300 0.067 0.000 1.187 32 P CA 0.048 63.146 63.100 -0.004 0.000 0.766 32 P CB 0.623 32.386 31.700 0.104 0.000 0.820 33 V N -0.460 119.426 119.914 -0.046 0.000 2.769 33 V HA 0.504 4.623 4.120 -0.000 0.000 0.312 33 V C 0.060 176.009 176.094 -0.242 0.000 1.061 33 V CA -1.446 60.818 62.300 -0.060 0.000 0.931 33 V CB 1.789 33.487 31.823 -0.209 0.000 1.010 33 V HN 0.420 nan 8.190 nan 0.000 0.433 34 K N 2.219 122.336 120.400 -0.470 0.000 2.379 34 K HA 0.668 4.988 4.320 -0.000 0.000 0.284 34 K C -0.131 176.250 176.600 -0.365 0.000 1.044 34 K CA 0.418 56.199 56.287 -0.843 0.000 0.974 34 K CB 0.711 32.672 32.500 -0.898 0.000 0.962 34 K HN 1.211 nan 8.250 nan 0.000 0.474 35 A N 3.868 126.424 122.820 -0.440 0.000 2.479 35 A HA 0.764 5.084 4.320 -0.000 0.000 0.296 35 A C -1.649 175.725 177.584 -0.351 0.000 1.121 35 A CA -0.798 51.198 52.037 -0.068 0.000 0.743 35 A CB 0.798 19.902 19.000 0.174 0.000 1.323 35 A HN 0.568 nan 8.150 nan 0.000 0.415 36 F N 0.311 120.272 119.950 0.019 0.000 2.529 36 F HA 0.489 5.016 4.527 -0.000 0.000 0.320 36 F C 0.299 175.808 175.800 -0.485 0.000 1.118 36 F CA -0.638 57.134 58.000 -0.380 0.000 0.915 36 F CB 2.353 40.932 39.000 -0.701 0.000 1.161 36 F HN 0.533 nan 8.300 nan 0.000 0.445 37 K N 4.758 124.676 120.400 -0.804 0.000 2.231 37 K HA 0.329 4.649 4.320 -0.000 0.000 0.275 37 K C 0.985 177.379 176.600 -0.343 0.000 1.105 37 K CA -0.137 55.489 56.287 -1.102 0.000 0.931 37 K CB 0.227 31.797 32.500 -1.550 0.000 1.296 37 K HN 0.873 nan 8.250 nan 0.000 0.446 38 I N 0.204 120.682 120.570 -0.154 0.000 3.251 38 I HA 0.103 4.273 4.170 -0.000 0.000 0.277 38 I C 0.524 176.583 176.117 -0.096 0.000 1.268 38 I CA 0.267 61.591 61.300 0.041 0.000 1.449 38 I CB -0.096 37.888 38.000 -0.027 0.000 1.083 38 I HN 0.507 nan 8.210 nan 0.000 0.464 39 H N 1.316 120.217 119.070 -0.282 0.000 2.969 39 H HA 0.196 4.752 4.556 -0.000 0.000 0.304 39 H C -1.316 173.887 175.328 -0.208 0.000 1.400 39 H CA -0.846 55.052 56.048 -0.250 0.000 1.182 39 H CB 1.431 31.022 29.762 -0.284 0.000 1.865 39 H HN 0.164 nan 8.280 nan 0.000 0.512 40 N N 2.074 120.613 118.700 -0.268 0.000 2.292 40 N HA -0.117 4.623 4.740 -0.000 0.000 0.258 40 N C 0.103 175.673 175.510 0.101 0.000 1.261 40 N CA 0.667 53.674 53.050 -0.072 0.000 0.845 40 N CB 0.253 38.684 38.487 -0.093 0.000 1.064 40 N HN 0.492 nan 8.380 nan 0.000 0.471 41 K N 1.044 121.499 120.400 0.091 0.000 3.472 41 K HA -0.196 4.124 4.320 -0.000 0.000 0.315 41 K C -0.709 175.998 176.600 0.177 0.000 1.320 41 K CA 1.026 57.409 56.287 0.160 0.000 0.962 41 K CB -1.706 30.871 32.500 0.128 0.000 1.251 41 K HN 0.599 nan 8.250 nan 0.000 0.443 42 I N 0.003 120.626 120.570 0.088 0.000 2.447 42 I HA 0.367 4.537 4.170 -0.000 0.000 0.287 42 I C -0.380 175.726 176.117 -0.017 0.000 1.023 42 I CA -0.765 60.567 61.300 0.053 0.000 1.083 42 I CB 1.183 39.117 38.000 -0.109 0.000 1.245 42 I HN -0.091 nan 8.210 nan 0.000 0.434 43 W N 5.000 126.281 121.300 -0.031 0.000 2.799 43 W HA 0.716 5.376 4.660 -0.000 0.000 0.349 43 W C -0.907 175.645 176.519 0.056 0.000 1.100 43 W CA -0.738 56.611 57.345 0.007 0.000 1.174 43 W CB 1.703 31.162 29.460 -0.001 0.000 1.427 43 W HN -0.038 nan 8.180 nan 0.000 0.547 44 V N 3.758 123.892 119.914 0.367 0.000 2.531 44 V HA 0.440 4.559 4.120 -0.000 0.000 0.301 44 V C -0.499 175.842 176.094 0.412 0.000 1.034 44 V CA -0.940 61.572 62.300 0.354 0.000 0.865 44 V CB 1.517 33.513 31.823 0.288 0.000 0.995 44 V HN 0.363 nan 8.190 nan 0.000 0.424 45 I N 6.999 127.785 120.570 0.360 0.000 2.428 45 I HA 0.316 4.486 4.170 -0.000 0.000 0.279 45 I C -2.108 174.121 176.117 0.187 0.000 1.040 45 I CA -1.727 59.748 61.300 0.292 0.000 1.171 45 I CB 2.189 40.332 38.000 0.239 0.000 1.312 45 I HN 0.429 nan 8.210 nan 0.000 0.470 46 P HA 0.127 nan 4.420 nan 0.000 0.231 46 P C -0.545 176.602 177.300 -0.256 0.000 1.756 46 P CA 0.323 63.280 63.100 -0.238 0.000 0.990 46 P CB 0.146 31.830 31.700 -0.026 0.000 1.973 47 E N 1.235 121.336 120.200 -0.164 0.000 2.356 47 E HA 0.331 4.681 4.350 -0.000 0.000 0.275 47 E C 0.091 176.666 176.600 -0.042 0.000 0.904 47 E CA -0.996 55.385 56.400 -0.031 0.000 0.757 47 E CB 2.019 31.876 29.700 0.261 0.000 1.232 47 E HN 0.145 nan 8.360 nan 0.000 0.442 48 R N 1.212 121.665 120.500 -0.077 0.000 2.590 48 R HA 0.072 4.412 4.340 -0.000 0.000 0.274 48 R C -0.095 176.141 176.300 -0.108 0.000 1.061 48 R CA -0.214 55.847 56.100 -0.066 0.000 1.081 48 R CB 0.086 30.341 30.300 -0.074 0.000 0.984 48 R HN 0.416 nan 8.270 nan 0.000 0.448 49 D N 1.626 121.994 120.400 -0.053 0.000 2.402 49 D HA 0.018 4.658 4.640 -0.000 0.000 0.235 49 D C 0.298 176.437 176.300 -0.269 0.000 1.226 49 D CA 0.079 54.017 54.000 -0.102 0.000 0.918 49 D CB 0.425 41.263 40.800 0.064 0.000 1.043 49 D HN 0.532 nan 8.370 nan 0.000 0.506 50 T N 0.291 114.433 114.554 -0.687 0.000 3.231 50 T HA 0.182 4.532 4.350 -0.000 0.000 0.292 50 T C 0.771 175.150 174.700 -0.535 0.000 1.001 50 T CA -0.390 61.380 62.100 -0.550 0.000 0.920 50 T CB -0.491 68.050 68.868 -0.545 0.000 1.140 50 T HN 0.172 nan 8.240 nan 0.000 0.525 51 F N 0.442 120.412 119.950 0.033 0.000 2.592 51 F HA 0.323 4.850 4.527 -0.000 0.000 0.280 51 F C 2.530 178.351 175.800 0.035 0.000 1.083 51 F CA -0.210 57.809 58.000 0.032 0.000 1.365 51 F CB -0.756 38.268 39.000 0.039 0.000 1.100 51 F HN 0.034 nan 8.300 nan 0.000 0.633 52 T N 0.103 114.762 114.554 0.176 0.000 2.652 52 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 52 T C 0.847 175.589 174.700 0.069 0.000 1.039 52 T CA 1.471 63.599 62.100 0.046 0.000 1.153 52 T CB -0.398 68.379 68.868 -0.150 0.000 0.863 52 T HN -0.037 nan 8.240 nan 0.000 0.428 53 N N 0.842 119.560 118.700 0.030 0.000 2.417 53 N HA 0.198 4.938 4.740 -0.000 0.000 0.274 53 N C -1.943 173.588 175.510 0.036 0.000 0.987 53 N CA -2.256 50.814 53.050 0.034 0.000 0.912 53 N CB 2.293 40.782 38.487 0.003 0.000 1.177 53 N HN -0.006 nan 8.380 nan 0.000 0.490 54 P HA -0.106 nan 4.420 nan 0.000 0.217 54 P C 0.397 177.707 177.300 0.017 0.000 1.150 54 P CA 1.166 64.287 63.100 0.036 0.000 0.832 54 P CB 0.541 32.264 31.700 0.038 0.000 0.787 55 E N 0.352 120.562 120.200 0.017 0.000 2.472 55 E HA -0.097 4.253 4.350 -0.000 0.000 0.200 55 E C 0.423 177.024 176.600 0.003 0.000 1.046 55 E CA 0.765 57.171 56.400 0.009 0.000 0.871 55 E CB -0.239 29.468 29.700 0.012 0.000 0.806 55 E HN 0.582 nan 8.360 nan 0.000 0.533 56 E N -0.058 120.140 120.200 -0.003 0.000 3.659 56 E HA 0.257 4.607 4.350 -0.000 0.000 0.217 56 E C 0.423 176.998 176.600 -0.041 0.000 1.141 56 E CA -0.233 56.159 56.400 -0.014 0.000 1.340 56 E CB 0.913 30.608 29.700 -0.008 0.000 1.295 56 E HN 0.057 nan 8.360 nan 0.000 0.434 57 G N 1.889 110.666 108.800 -0.039 0.000 3.523 57 G HA2 0.063 4.023 3.960 -0.000 0.000 0.270 57 G HA3 0.063 4.023 3.960 -0.000 0.000 0.270 57 G C -0.211 174.648 174.900 -0.068 0.000 1.134 57 G CA -0.179 44.882 45.100 -0.064 0.000 0.825 57 G HN 0.361 nan 8.290 nan 0.000 0.534 58 D N -1.513 118.855 120.400 -0.055 0.000 2.661 58 D HA 0.318 4.958 4.640 -0.000 0.000 0.228 58 D C 0.435 176.717 176.300 -0.030 0.000 1.210 58 D CA -0.852 53.122 54.000 -0.043 0.000 0.826 58 D CB 0.966 41.748 40.800 -0.028 0.000 1.542 58 D HN -0.098 nan 8.370 nan 0.000 0.447 59 L N 0.061 121.271 121.223 -0.021 0.000 2.667 59 L HA 0.250 4.590 4.340 -0.000 0.000 0.232 59 L C 0.180 177.060 176.870 0.017 0.000 1.138 59 L CA -0.472 54.373 54.840 0.008 0.000 0.921 59 L CB -0.409 41.654 42.059 0.006 0.000 1.180 59 L HN 0.342 nan 8.230 nan 0.000 0.487 60 N N 3.403 122.094 118.700 -0.014 0.000 2.434 60 N HA 0.097 4.837 4.740 -0.000 0.000 0.268 60 N C -2.088 173.366 175.510 -0.094 0.000 1.256 60 N CA -0.536 52.487 53.050 -0.046 0.000 0.914 60 N CB 0.467 38.924 38.487 -0.050 0.000 1.088 60 N HN 0.094 nan 8.380 nan 0.000 0.478 61 P HA 0.203 nan 4.420 nan 0.000 0.271 61 P C -2.325 174.721 177.300 -0.424 0.000 1.218 61 P CA -0.853 61.956 63.100 -0.484 0.000 0.780 61 P CB 0.214 31.599 31.700 -0.525 0.000 0.901 62 P HA 0.306 nan 4.420 nan 0.000 0.275 62 P C -2.559 174.587 177.300 -0.257 0.000 1.266 62 P CA -1.754 61.167 63.100 -0.299 0.000 0.793 62 P CB -1.191 30.360 31.700 -0.249 0.000 1.074 63 P HA 0.007 nan 4.420 nan 0.000 0.264 63 P C 0.893 178.121 177.300 -0.119 0.000 1.183 63 P CA 0.435 63.464 63.100 -0.118 0.000 0.763 63 P CB 0.130 31.782 31.700 -0.080 0.000 0.807 64 E N 2.752 122.892 120.200 -0.101 0.000 2.169 64 E HA -0.260 4.090 4.350 -0.000 0.000 0.202 64 E C 1.081 177.650 176.600 -0.053 0.000 1.016 64 E CA 1.734 58.088 56.400 -0.076 0.000 0.817 64 E CB -0.310 29.358 29.700 -0.053 0.000 0.736 64 E HN 0.499 nan 8.360 nan 0.000 0.462 65 A N 0.375 123.166 122.820 -0.048 0.000 2.579 65 A HA 0.092 4.411 4.320 -0.000 0.000 0.273 65 A C 0.877 178.440 177.584 -0.035 0.000 1.363 65 A CA -0.057 51.960 52.037 -0.034 0.000 0.953 65 A CB 0.073 19.056 19.000 -0.029 0.000 1.034 65 A HN 0.048 nan 8.150 nan 0.000 0.536 66 K N -0.432 119.942 120.400 -0.044 0.000 2.588 66 K HA 0.063 4.382 4.320 -0.000 0.000 0.216 66 K C -0.036 176.548 176.600 -0.026 0.000 1.382 66 K CA -0.023 56.241 56.287 -0.039 0.000 1.008 66 K CB 0.575 33.043 32.500 -0.053 0.000 1.138 66 K HN 0.755 nan 8.250 nan 0.000 0.619 67 Q N 1.607 121.394 119.800 -0.022 0.000 2.274 67 Q HA 0.352 4.692 4.340 -0.000 0.000 0.256 67 Q C -0.085 175.957 176.000 0.071 0.000 0.927 67 Q CA -0.677 55.156 55.803 0.050 0.000 0.939 67 Q CB 1.550 30.334 28.738 0.077 0.000 1.201 67 Q HN -0.245 nan 8.270 nan 0.000 0.426 68 V N 5.132 125.092 119.914 0.077 0.000 2.720 68 V HA -0.092 4.027 4.120 -0.000 0.000 0.307 68 V C -1.340 174.777 176.094 0.037 0.000 1.071 68 V CA -0.588 61.736 62.300 0.040 0.000 1.199 68 V CB 0.519 32.359 31.823 0.029 0.000 0.900 68 V HN 0.838 nan 8.190 nan 0.000 0.494 69 P HA -0.106 nan 4.420 nan 0.000 0.216 69 P C 0.542 177.842 177.300 -0.001 0.000 1.150 69 P CA 0.918 64.019 63.100 0.000 0.000 0.843 69 P CB 0.069 31.753 31.700 -0.026 0.000 0.787 70 V N 0.184 120.091 119.914 -0.010 0.000 2.008 70 V HA 0.200 4.320 4.120 -0.000 0.000 0.262 70 V C 0.524 176.604 176.094 -0.024 0.000 1.580 70 V CA 0.196 62.486 62.300 -0.017 0.000 1.515 70 V CB -1.428 30.375 31.823 -0.033 0.000 1.474 70 V HN 0.190 nan 8.190 nan 0.000 0.504 71 S N 1.280 116.970 115.700 -0.018 0.000 2.615 71 S HA 0.792 5.262 4.470 -0.000 0.000 0.269 71 S C -1.527 173.037 174.600 -0.061 0.000 1.161 71 S CA -0.793 57.352 58.200 -0.091 0.000 0.817 71 S CB 2.612 65.773 63.200 -0.065 0.000 1.131 71 S HN 0.324 nan 8.310 nan 0.000 0.467 72 Y N 0.413 120.443 120.300 -0.450 0.000 2.399 72 Y HA 0.649 5.199 4.550 -0.000 0.000 0.327 72 Y C -2.401 173.158 175.900 -0.568 0.000 1.111 72 Y CA -0.944 56.928 58.100 -0.381 0.000 1.047 72 Y CB 1.258 39.483 38.460 -0.391 0.000 1.259 72 Y HN 0.835 nan 8.280 nan 0.000 0.434 73 Y N 3.957 123.803 120.300 -0.757 0.000 2.446 73 Y HA 0.558 5.108 4.550 -0.000 0.000 0.345 73 Y C -0.684 174.797 175.900 -0.699 0.000 0.984 73 Y CA -0.888 56.873 58.100 -0.564 0.000 1.058 73 Y CB 2.090 40.374 38.460 -0.294 0.000 1.220 73 Y HN 0.565 nan 8.280 nan 0.000 0.455 74 D N 0.329 120.580 120.400 -0.247 0.000 2.349 74 D HA 0.027 4.666 4.640 -0.000 0.000 0.224 74 D C 0.120 176.435 176.300 0.024 0.000 1.323 74 D CA -0.117 53.810 54.000 -0.123 0.000 0.917 74 D CB 0.357 41.091 40.800 -0.109 0.000 1.524 74 D HN 0.432 nan 8.370 nan 0.000 0.505 75 S N 0.626 116.343 115.700 0.028 0.000 2.537 75 S HA -0.108 4.362 4.470 -0.000 0.000 0.240 75 S C 1.403 176.034 174.600 0.051 0.000 0.981 75 S CA 1.142 59.366 58.200 0.040 0.000 0.948 75 S CB -0.149 63.060 63.200 0.017 0.000 0.759 75 S HN 0.373 nan 8.310 nan 0.000 0.531 76 T N 0.390 114.990 114.554 0.078 0.000 3.054 76 T HA 0.144 4.494 4.350 -0.000 0.000 0.259 76 T C 0.271 175.045 174.700 0.123 0.000 1.092 76 T CA -0.088 62.061 62.100 0.082 0.000 1.121 76 T CB -0.347 68.573 68.868 0.086 0.000 0.912 76 T HN 0.601 nan 8.240 nan 0.000 0.489 77 Y N 2.393 122.735 120.300 0.070 0.000 2.610 77 Y HA 0.189 4.739 4.550 -0.000 0.000 0.332 77 Y C 0.802 176.743 175.900 0.069 0.000 1.201 77 Y CA -1.329 56.842 58.100 0.119 0.000 1.465 77 Y CB -0.068 38.516 38.460 0.207 0.000 1.283 77 Y HN 0.135 nan 8.280 nan 0.000 0.563 78 L N 4.299 125.064 121.223 -0.763 0.000 3.730 78 L HA -0.330 4.010 4.340 -0.000 0.000 0.410 78 L C 0.904 177.577 176.870 -0.328 0.000 1.234 78 L CA 0.975 55.391 54.840 -0.706 0.000 0.911 78 L CB -1.541 39.964 42.059 -0.924 0.000 1.942 78 L HN 0.852 nan 8.230 nan 0.000 0.860 79 S N -3.688 111.899 115.700 -0.187 0.000 2.497 79 S HA 0.101 4.571 4.470 -0.000 0.000 0.218 79 S C 0.831 175.379 174.600 -0.086 0.000 1.023 79 S CA 0.403 58.541 58.200 -0.102 0.000 0.913 79 S CB 0.495 63.670 63.200 -0.042 0.000 0.800 79 S HN 0.580 nan 8.310 nan 0.000 0.505 80 T N -0.261 114.233 114.554 -0.100 0.000 2.944 80 T HA 0.446 4.796 4.350 -0.000 0.000 0.284 80 T C 0.154 174.766 174.700 -0.148 0.000 1.010 80 T CA -0.586 61.467 62.100 -0.078 0.000 1.025 80 T CB 1.146 69.991 68.868 -0.039 0.000 1.079 80 T HN -0.138 nan 8.240 nan 0.000 0.516 81 D N 0.751 121.090 120.400 -0.102 0.000 2.117 81 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 81 D C 1.831 178.041 176.300 -0.149 0.000 0.987 81 D CA 1.294 55.201 54.000 -0.154 0.000 0.829 81 D CB -0.283 40.558 40.800 0.069 0.000 0.961 81 D HN 0.669 nan 8.370 nan 0.000 0.460 82 N N 0.582 119.246 118.700 -0.060 0.000 2.223 82 N HA -0.127 4.613 4.740 -0.000 0.000 0.185 82 N C 1.614 177.089 175.510 -0.057 0.000 1.016 82 N CA 0.603 53.633 53.050 -0.033 0.000 0.863 82 N CB 0.082 38.566 38.487 -0.005 0.000 0.983 82 N HN 0.312 nan 8.380 nan 0.000 0.429 83 E N 1.013 121.159 120.200 -0.089 0.000 2.107 83 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 83 E C 1.681 178.211 176.600 -0.117 0.000 0.982 83 E CA 0.816 57.168 56.400 -0.080 0.000 0.809 83 E CB 0.163 29.794 29.700 -0.114 0.000 0.756 83 E HN 0.309 nan 8.360 nan 0.000 0.459 84 K N 0.693 120.930 120.400 -0.272 0.000 2.097 84 K HA -0.162 4.158 4.320 -0.000 0.000 0.205 84 K C 1.866 178.352 176.600 -0.189 0.000 1.050 84 K CA 1.439 57.499 56.287 -0.378 0.000 0.938 84 K CB -0.085 31.848 32.500 -0.945 0.000 0.718 84 K HN 0.025 nan 8.250 nan 0.000 0.442 85 D N 1.036 121.346 120.400 -0.150 0.000 2.097 85 D HA -0.161 4.479 4.640 -0.000 0.000 0.195 85 D C 1.826 178.134 176.300 0.012 0.000 0.989 85 D CA 1.104 55.106 54.000 0.003 0.000 0.827 85 D CB -0.004 40.826 40.800 0.050 0.000 0.966 85 D HN 0.024 nan 8.370 nan 0.000 0.456 86 N N -0.890 117.815 118.700 0.009 0.000 2.120 86 N HA -0.210 4.530 4.740 -0.000 0.000 0.188 86 N C 1.699 177.235 175.510 0.043 0.000 1.024 86 N CA 0.815 53.875 53.050 0.017 0.000 0.852 86 N CB -0.434 38.062 38.487 0.013 0.000 1.003 86 N HN 0.373 nan 8.380 nan 0.000 0.424 87 Y N 1.127 121.398 120.300 -0.048 0.000 2.145 87 Y HA -0.202 4.348 4.550 -0.000 0.000 0.286 87 Y C 2.331 178.230 175.900 -0.002 0.000 1.145 87 Y CA 1.232 59.326 58.100 -0.011 0.000 1.148 87 Y CB -0.480 37.964 38.460 -0.026 0.000 0.981 87 Y HN 0.005 nan 8.280 nan 0.000 0.507 88 L N 1.124 122.456 121.223 0.180 0.000 2.042 88 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 88 L C 2.072 178.940 176.870 -0.003 0.000 1.076 88 L CA 1.946 56.818 54.840 0.052 0.000 0.749 88 L CB -0.760 41.219 42.059 -0.133 0.000 0.893 88 L HN 0.165 nan 8.230 nan 0.000 0.432 89 K N -0.896 119.499 120.400 -0.009 0.000 2.148 89 K HA -0.031 4.289 4.320 -0.000 0.000 0.204 89 K C 1.991 178.566 176.600 -0.042 0.000 1.050 89 K CA 0.991 57.270 56.287 -0.013 0.000 0.942 89 K CB -0.540 31.954 32.500 -0.011 0.000 0.724 89 K HN 0.545 nan 8.250 nan 0.000 0.446 90 G N 1.006 109.753 108.800 -0.088 0.000 2.404 90 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.215 90 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.215 90 G C 1.578 176.406 174.900 -0.119 0.000 1.174 90 G CA 0.477 45.492 45.100 -0.141 0.000 0.780 90 G HN 0.065 nan 8.290 nan 0.000 0.537 91 V N 0.977 120.815 119.914 -0.128 0.000 2.358 91 V HA -0.169 3.951 4.120 -0.000 0.000 0.246 91 V C 3.148 179.331 176.094 0.148 0.000 1.047 91 V CA 2.300 64.590 62.300 -0.017 0.000 1.035 91 V CB -0.896 30.930 31.823 0.005 0.000 0.658 91 V HN 0.366 nan 8.190 nan 0.000 0.452 92 T N -0.501 114.123 114.554 0.117 0.000 2.720 92 T HA -0.269 4.081 4.350 -0.000 0.000 0.268 92 T C 1.975 176.740 174.700 0.109 0.000 1.037 92 T CA 1.968 64.145 62.100 0.128 0.000 1.144 92 T CB -0.205 68.691 68.868 0.046 0.000 0.864 92 T HN 0.434 nan 8.240 nan 0.000 0.444 93 K N 0.519 120.946 120.400 0.044 0.000 2.097 93 K HA 0.034 4.354 4.320 -0.000 0.000 0.206 93 K C 2.183 178.808 176.600 0.042 0.000 1.049 93 K CA 0.930 57.240 56.287 0.039 0.000 0.933 93 K CB -0.210 32.293 32.500 0.004 0.000 0.717 93 K HN 0.289 nan 8.250 nan 0.000 0.442 94 L N -0.230 120.981 121.223 -0.020 0.000 2.093 94 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 94 L C 2.146 178.953 176.870 -0.106 0.000 1.085 94 L CA 0.904 55.685 54.840 -0.098 0.000 0.755 94 L CB -0.380 41.551 42.059 -0.213 0.000 0.904 94 L HN 0.138 nan 8.230 nan 0.000 0.435 95 F N 0.648 120.562 119.950 -0.060 0.000 2.134 95 F HA -0.198 4.329 4.527 -0.000 0.000 0.299 95 F C 2.696 178.514 175.800 0.031 0.000 1.097 95 F CA 1.282 59.253 58.000 -0.049 0.000 1.264 95 F CB -0.193 38.758 39.000 -0.082 0.000 1.001 95 F HN 0.060 nan 8.300 nan 0.000 0.479 96 E N -0.123 120.212 120.200 0.225 0.000 2.072 96 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 96 E C 2.273 178.968 176.600 0.158 0.000 0.985 96 E CA 0.903 57.437 56.400 0.224 0.000 0.801 96 E CB -0.555 29.253 29.700 0.181 0.000 0.750 96 E HN 0.371 nan 8.360 nan 0.000 0.452 97 R N 0.731 121.283 120.500 0.087 0.000 2.091 97 R HA -0.087 4.253 4.340 -0.000 0.000 0.238 97 R C 2.423 178.864 176.300 0.235 0.000 1.136 97 R CA 1.135 57.270 56.100 0.059 0.000 0.959 97 R CB -0.227 30.080 30.300 0.011 0.000 0.856 97 R HN 0.123 nan 8.270 nan 0.000 0.437 98 I N -0.525 120.181 120.570 0.226 0.000 2.252 98 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 98 I C 1.996 178.238 176.117 0.208 0.000 1.102 98 I CA 1.004 62.462 61.300 0.262 0.000 1.385 98 I CB -0.326 37.703 38.000 0.048 0.000 1.064 98 I HN 0.238 nan 8.210 nan 0.000 0.414 99 Y N 1.406 121.751 120.300 0.076 0.000 2.333 99 Y HA -0.214 4.336 4.550 -0.000 0.000 0.290 99 Y C 2.649 178.558 175.900 0.014 0.000 1.144 99 Y CA 1.297 59.427 58.100 0.050 0.000 1.228 99 Y CB -0.180 38.337 38.460 0.095 0.000 0.985 99 Y HN 0.034 nan 8.280 nan 0.000 0.542 100 S N -0.599 115.131 115.700 0.051 0.000 2.447 100 S HA -0.095 4.375 4.470 -0.000 0.000 0.233 100 S C 0.947 175.534 174.600 -0.021 0.000 1.006 100 S CA 1.013 59.168 58.200 -0.075 0.000 0.957 100 S CB -0.746 62.254 63.200 -0.333 0.000 0.773 100 S HN 0.636 nan 8.310 nan 0.000 0.507 101 T N -0.129 114.418 114.554 -0.011 0.000 2.922 101 T HA 0.285 4.635 4.350 -0.000 0.000 0.285 101 T C 0.426 175.054 174.700 -0.119 0.000 1.005 101 T CA -0.809 61.289 62.100 -0.003 0.000 1.061 101 T CB 1.012 69.817 68.868 -0.104 0.000 1.007 101 T HN -0.120 nan 8.240 nan 0.000 0.502 102 D N 0.504 120.873 120.400 -0.052 0.000 2.117 102 D HA -0.092 4.548 4.640 -0.000 0.000 0.197 102 D C 1.899 178.006 176.300 -0.323 0.000 0.987 102 D CA 0.822 54.752 54.000 -0.116 0.000 0.829 102 D CB -0.058 40.780 40.800 0.063 0.000 0.961 102 D HN 0.416 nan 8.370 nan 0.000 0.460 103 L N 1.026 121.786 121.223 -0.772 0.000 2.056 103 L HA -0.009 4.331 4.340 -0.000 0.000 0.207 103 L C 2.256 178.822 176.870 -0.507 0.000 1.078 103 L CA 1.949 56.226 54.840 -0.939 0.000 0.749 103 L CB -0.836 40.040 42.059 -1.972 0.000 0.901 103 L HN 0.014 nan 8.230 nan 0.000 0.433 104 G N -1.076 107.556 108.800 -0.280 0.000 2.402 104 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.216 104 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.216 104 G C 1.784 176.663 174.900 -0.035 0.000 1.162 104 G CA 0.707 45.835 45.100 0.048 0.000 0.777 104 G HN 0.400 nan 8.290 nan 0.000 0.539 105 R N -0.810 119.617 120.500 -0.122 0.000 2.105 105 R HA -0.025 4.315 4.340 -0.000 0.000 0.239 105 R C 2.403 178.671 176.300 -0.053 0.000 1.135 105 R CA 1.689 57.707 56.100 -0.137 0.000 0.967 105 R CB -0.275 29.796 30.300 -0.382 0.000 0.861 105 R HN 0.353 nan 8.270 nan 0.000 0.442 106 M N 0.083 119.631 119.600 -0.086 0.000 2.099 106 M HA -0.074 4.406 4.480 -0.000 0.000 0.262 106 M C 1.864 178.132 176.300 -0.054 0.000 1.067 106 M CA 1.313 56.609 55.300 -0.006 0.000 1.124 106 M CB -0.390 32.251 32.600 0.069 0.000 1.353 106 M HN 0.292 nan 8.290 nan 0.000 0.410 107 L N -0.081 120.926 121.223 -0.360 0.000 2.012 107 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 107 L C 2.018 178.752 176.870 -0.227 0.000 1.073 107 L CA 1.980 56.393 54.840 -0.711 0.000 0.748 107 L CB -0.904 40.715 42.059 -0.734 0.000 0.891 107 L HN 0.401 nan 8.230 nan 0.000 0.431 108 L N -1.136 120.037 121.223 -0.084 0.000 2.083 108 L HA -0.196 4.143 4.340 -0.000 0.000 0.209 108 L C 2.336 179.222 176.870 0.026 0.000 1.083 108 L CA 1.649 56.492 54.840 0.005 0.000 0.752 108 L CB -0.987 41.120 42.059 0.080 0.000 0.899 108 L HN 0.309 nan 8.230 nan 0.000 0.433 109 T N -1.172 113.415 114.554 0.055 0.000 2.777 109 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 109 T C 2.156 176.922 174.700 0.110 0.000 1.040 109 T CA 1.574 63.728 62.100 0.091 0.000 1.141 109 T CB -0.063 68.860 68.868 0.093 0.000 0.868 109 T HN 0.262 nan 8.240 nan 0.000 0.444 110 S N 1.095 116.866 115.700 0.119 0.000 2.368 110 S HA 0.014 4.484 4.470 -0.000 0.000 0.225 110 S C 2.035 176.810 174.600 0.291 0.000 1.030 110 S CA 0.835 59.158 58.200 0.206 0.000 0.999 110 S CB -0.390 62.932 63.200 0.203 0.000 0.844 110 S HN 0.413 nan 8.310 nan 0.000 0.459 111 I N 1.062 121.739 120.570 0.178 0.000 2.179 111 I HA -0.142 4.027 4.170 -0.000 0.000 0.242 111 I C 2.133 178.321 176.117 0.118 0.000 1.088 111 I CA 0.953 62.350 61.300 0.163 0.000 1.357 111 I CB -0.413 37.639 38.000 0.086 0.000 1.051 111 I HN 0.149 nan 8.210 nan 0.000 0.409 112 V N 1.669 121.640 119.914 0.095 0.000 2.490 112 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 112 V C 2.426 178.564 176.094 0.072 0.000 1.061 112 V CA 2.153 64.508 62.300 0.091 0.000 1.064 112 V CB -0.871 31.024 31.823 0.122 0.000 0.670 112 V HN 0.552 nan 8.190 nan 0.000 0.461 113 R N 1.083 121.634 120.500 0.086 0.000 2.297 113 R HA 0.124 4.464 4.340 -0.000 0.000 0.197 113 R C 1.502 177.776 176.300 -0.044 0.000 0.943 113 R CA 0.882 57.004 56.100 0.036 0.000 1.038 113 R CB -0.386 29.958 30.300 0.074 0.000 0.957 113 R HN 0.383 nan 8.270 nan 0.000 0.484 114 G N 2.285 111.048 108.800 -0.061 0.000 3.455 114 G HA2 0.202 4.162 3.960 -0.000 0.000 0.250 114 G HA3 0.202 4.162 3.960 -0.000 0.000 0.250 114 G C 0.067 174.826 174.900 -0.235 0.000 1.071 114 G CA -0.608 44.241 45.100 -0.420 0.000 1.812 114 G HN 0.179 nan 8.290 nan 0.000 0.643 115 I N 1.002 121.509 120.570 -0.104 0.000 2.752 115 I HA 0.020 4.190 4.170 -0.000 0.000 0.289 115 I C -1.829 174.414 176.117 0.211 0.000 1.197 115 I CA -1.321 60.013 61.300 0.057 0.000 1.432 115 I CB 0.971 38.980 38.000 0.016 0.000 1.359 115 I HN 0.062 nan 8.210 nan 0.000 0.571 116 P HA -0.074 nan 4.420 nan 0.000 0.264 116 P C -0.292 177.259 177.300 0.417 0.000 1.193 116 P CA -0.030 63.235 63.100 0.274 0.000 0.763 116 P CB 0.279 32.113 31.700 0.224 0.000 0.810 117 F N 3.615 123.617 119.950 0.087 0.000 2.595 117 F HA 0.082 4.609 4.527 -0.000 0.000 0.359 117 F C -0.043 175.726 175.800 -0.051 0.000 1.147 117 F CA -0.081 57.721 58.000 -0.330 0.000 1.341 117 F CB 0.220 38.781 39.000 -0.732 0.000 1.104 117 F HN 0.348 nan 8.300 nan 0.000 0.603 118 W N 5.401 125.829 121.300 -1.454 0.000 1.864 118 W HA 0.400 5.060 4.660 -0.000 0.000 0.425 118 W C 0.740 176.622 176.519 -1.062 0.000 0.791 118 W CA -0.914 55.913 57.345 -0.863 0.000 1.650 118 W CB 0.578 29.751 29.460 -0.478 0.000 1.791 118 W HN 0.653 nan 8.180 nan 0.000 0.266 119 G N 0.174 108.683 108.800 -0.485 0.000 4.044 119 G HA2 0.258 4.218 3.960 -0.000 0.000 0.297 119 G HA3 0.258 4.218 3.960 -0.000 0.000 0.297 119 G C 1.094 176.001 174.900 0.012 0.000 1.101 119 G CA -0.072 44.938 45.100 -0.150 0.000 0.884 119 G HN 0.480 nan 8.290 nan 0.000 0.538 120 G N -0.014 108.749 108.800 -0.062 0.000 2.985 120 G HA2 0.247 4.207 3.960 -0.000 0.000 0.209 120 G HA3 0.247 4.207 3.960 -0.000 0.000 0.209 120 G C 0.695 175.610 174.900 0.026 0.000 1.165 120 G CA 0.329 45.427 45.100 -0.004 0.000 0.776 120 G HN 0.465 nan 8.290 nan 0.000 0.541 121 S N -0.460 115.256 115.700 0.026 0.000 2.616 121 S HA 0.383 4.853 4.470 -0.000 0.000 0.277 121 S C 1.759 176.398 174.600 0.065 0.000 1.234 121 S CA 0.283 58.507 58.200 0.040 0.000 1.028 121 S CB 1.273 64.497 63.200 0.039 0.000 0.988 121 S HN 0.263 nan 8.310 nan 0.000 0.522 122 T N 1.329 115.917 114.554 0.056 0.000 3.065 122 T HA 0.325 4.675 4.350 -0.000 0.000 0.252 122 T C 0.554 175.285 174.700 0.053 0.000 1.099 122 T CA 0.177 62.312 62.100 0.059 0.000 1.063 122 T CB -0.433 68.463 68.868 0.047 0.000 0.948 122 T HN 0.513 nan 8.240 nan 0.000 0.506 123 I N 3.819 124.419 120.570 0.049 0.000 2.315 123 I HA 0.205 4.375 4.170 -0.000 0.000 0.291 123 I C 0.908 177.059 176.117 0.055 0.000 1.006 123 I CA -0.719 60.609 61.300 0.046 0.000 1.265 123 I CB 1.323 39.348 38.000 0.041 0.000 1.387 123 I HN 0.194 nan 8.210 nan 0.000 0.475 124 D N 4.070 124.503 120.400 0.054 0.000 2.358 124 D HA -0.112 4.528 4.640 -0.000 0.000 0.241 124 D C 0.979 177.315 176.300 0.060 0.000 1.094 124 D CA 0.502 54.540 54.000 0.062 0.000 0.907 124 D CB 0.045 40.878 40.800 0.055 0.000 0.893 124 D HN 0.660 nan 8.370 nan 0.000 0.528 125 T N -3.608 110.979 114.554 0.055 0.000 3.170 125 T HA 0.206 4.556 4.350 -0.000 0.000 0.288 125 T C 0.156 174.892 174.700 0.059 0.000 0.992 125 T CA -0.697 61.435 62.100 0.053 0.000 0.909 125 T CB 0.418 69.310 68.868 0.041 0.000 1.133 125 T HN 0.146 nan 8.240 nan 0.000 0.530 126 E N 1.230 121.469 120.200 0.065 0.000 2.234 126 E HA 0.545 4.895 4.350 -0.000 0.000 0.266 126 E C -1.216 175.434 176.600 0.084 0.000 0.877 126 E CA -0.855 55.588 56.400 0.072 0.000 0.758 126 E CB 1.546 31.283 29.700 0.061 0.000 1.170 126 E HN 0.310 nan 8.360 nan 0.000 0.415 127 L N 4.280 125.574 121.223 0.118 0.000 2.289 127 L HA 0.511 4.851 4.340 -0.000 0.000 0.285 127 L C -0.074 176.962 176.870 0.277 0.000 1.049 127 L CA -0.385 54.552 54.840 0.163 0.000 0.804 127 L CB 1.224 43.392 42.059 0.181 0.000 1.195 127 L HN 0.463 nan 8.230 nan 0.000 0.428 128 K N 2.605 123.107 120.400 0.170 0.000 2.525 128 K HA 0.349 4.669 4.320 -0.000 0.000 0.254 128 K C -1.372 174.935 176.600 -0.489 0.000 0.934 128 K CA -0.611 55.627 56.287 -0.082 0.000 0.802 128 K CB 2.933 35.381 32.500 -0.087 0.000 1.295 128 K HN 0.307 nan 8.250 nan 0.000 0.433 129 V N 5.018 124.185 119.914 -1.246 0.000 2.963 129 V HA 0.216 4.336 4.120 -0.000 0.000 0.306 129 V C -0.003 175.759 176.094 -0.554 0.000 1.077 129 V CA 0.005 61.481 62.300 -1.374 0.000 1.124 129 V CB 0.567 31.541 31.823 -1.416 0.000 0.987 129 V HN 0.649 nan 8.190 nan 0.000 0.487 130 I N 5.985 126.349 120.570 -0.343 0.000 2.304 130 I HA 0.252 4.422 4.170 -0.000 0.000 0.291 130 I C 1.339 177.394 176.117 -0.104 0.000 1.018 130 I CA -0.347 60.879 61.300 -0.124 0.000 1.260 130 I CB 1.390 39.393 38.000 0.005 0.000 1.390 130 I HN 0.873 nan 8.210 nan 0.000 0.475 131 D N 3.709 124.050 120.400 -0.099 0.000 2.203 131 D HA -0.256 4.384 4.640 -0.000 0.000 0.199 131 D C 1.437 177.690 176.300 -0.077 0.000 0.997 131 D CA 2.057 55.995 54.000 -0.102 0.000 0.863 131 D CB -0.277 40.459 40.800 -0.107 0.000 0.928 131 D HN 0.619 nan 8.370 nan 0.000 0.458 132 T N -2.621 111.913 114.554 -0.033 0.000 3.160 132 T HA 0.010 4.359 4.350 -0.000 0.000 0.257 132 T C 1.056 175.848 174.700 0.154 0.000 1.147 132 T CA 0.299 62.394 62.100 -0.009 0.000 1.064 132 T CB -0.738 68.162 68.868 0.054 0.000 0.949 132 T HN 0.249 nan 8.240 nan 0.000 0.526 133 N N 0.001 118.763 118.700 0.102 0.000 2.279 133 N HA 0.307 5.047 4.740 -0.000 0.000 0.226 133 N C -0.718 174.840 175.510 0.081 0.000 1.126 133 N CA -0.527 52.603 53.050 0.134 0.000 0.846 133 N CB 0.270 38.825 38.487 0.114 0.000 1.050 133 N HN 0.359 nan 8.380 nan 0.000 0.502 134 C N 0.296 119.619 119.300 0.039 0.000 3.154 134 C HA 0.666 5.125 4.460 -0.000 0.000 0.312 134 C C -0.172 174.792 174.990 -0.044 0.000 1.349 134 C CA -1.213 57.797 59.018 -0.014 0.000 1.518 134 C CB 1.052 28.760 27.740 -0.053 0.000 1.934 134 C HN 0.239 nan 8.230 nan 0.000 0.462 135 I N -0.291 120.207 120.570 -0.120 0.000 3.108 135 I HA 0.640 4.810 4.170 -0.000 0.000 0.312 135 I C -1.064 174.933 176.117 -0.200 0.000 1.095 135 I CA -0.496 60.694 61.300 -0.185 0.000 1.000 135 I CB 1.585 39.387 38.000 -0.331 0.000 1.229 135 I HN 0.439 nan 8.210 nan 0.000 0.454 136 N N 2.366 120.928 118.700 -0.231 0.000 2.417 136 N HA 0.429 5.169 4.740 -0.000 0.000 0.274 136 N C -1.065 174.369 175.510 -0.127 0.000 0.987 136 N CA -0.351 52.584 53.050 -0.191 0.000 0.912 136 N CB 2.477 40.746 38.487 -0.363 0.000 1.177 136 N HN 0.411 nan 8.380 nan 0.000 0.490 137 V N 4.053 123.947 119.914 -0.033 0.000 2.383 137 V HA 0.367 4.487 4.120 -0.000 0.000 0.275 137 V C 0.920 177.099 176.094 0.142 0.000 1.036 137 V CA -0.747 61.560 62.300 0.013 0.000 0.889 137 V CB 0.685 32.514 31.823 0.011 0.000 0.985 137 V HN 0.473 nan 8.190 nan 0.000 0.459 138 I N 4.993 125.671 120.570 0.180 0.000 2.648 138 I HA 0.142 4.312 4.170 -0.000 0.000 0.284 138 I C 0.455 176.594 176.117 0.036 0.000 1.153 138 I CA 0.020 61.403 61.300 0.138 0.000 1.426 138 I CB 0.430 38.507 38.000 0.129 0.000 1.381 138 I HN 0.565 nan 8.210 nan 0.000 0.571 139 Q N 6.949 126.726 119.800 -0.037 0.000 2.204 139 Q HA 0.313 4.653 4.340 -0.000 0.000 0.254 139 Q C -1.696 174.268 176.000 -0.060 0.000 0.981 139 Q CA -2.038 53.743 55.803 -0.036 0.000 0.897 139 Q CB 0.539 29.250 28.738 -0.044 0.000 1.273 139 Q HN 0.286 nan 8.270 nan 0.000 0.464 140 P HA -0.174 nan 4.420 nan 0.000 0.218 140 P C 0.274 177.532 177.300 -0.070 0.000 1.146 140 P CA 1.485 64.556 63.100 -0.049 0.000 0.820 140 P CB 0.213 31.892 31.700 -0.035 0.000 0.778 141 D N -2.253 118.099 120.400 -0.081 0.000 2.336 141 D HA 0.112 4.751 4.640 -0.000 0.000 0.228 141 D C 1.388 177.605 176.300 -0.138 0.000 1.120 141 D CA 0.293 54.238 54.000 -0.093 0.000 0.839 141 D CB -0.844 39.909 40.800 -0.078 0.000 0.932 141 D HN 0.209 nan 8.370 nan 0.000 0.509 142 G N 0.819 109.518 108.800 -0.169 0.000 2.257 142 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.267 142 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.267 142 G C 0.572 175.198 174.900 -0.457 0.000 0.984 142 G CA 0.749 45.692 45.100 -0.261 0.000 0.626 142 G HN 0.819 nan 8.290 nan 0.000 0.540 143 S N -0.334 115.160 115.700 -0.343 0.000 2.608 143 S HA 0.637 5.107 4.470 -0.000 0.000 0.261 143 S C -0.058 174.289 174.600 -0.421 0.000 1.314 143 S CA -0.250 57.721 58.200 -0.383 0.000 0.992 143 S CB 0.966 64.064 63.200 -0.170 0.000 0.935 143 S HN 0.511 nan 8.310 nan 0.000 0.564 144 Y N -0.086 120.194 120.300 -0.034 0.000 2.446 144 Y HA 0.616 5.166 4.550 -0.000 0.000 0.338 144 Y C 0.611 176.491 175.900 -0.034 0.000 1.055 144 Y CA -1.056 57.020 58.100 -0.039 0.000 1.101 144 Y CB 1.396 39.826 38.460 -0.050 0.000 1.221 144 Y HN 0.762 nan 8.280 nan 0.000 0.460 145 R N 1.172 121.758 120.500 0.144 0.000 2.437 145 R HA 0.535 4.875 4.340 -0.000 0.000 0.310 145 R C -0.837 175.487 176.300 0.039 0.000 0.955 145 R CA -0.475 55.667 56.100 0.069 0.000 0.851 145 R CB 1.286 31.618 30.300 0.054 0.000 1.161 145 R HN 0.724 nan 8.270 nan 0.000 0.446 146 S N 2.738 118.449 115.700 0.018 0.000 2.523 146 S HA 0.134 4.604 4.470 -0.000 0.000 0.275 146 S C -0.683 173.917 174.600 0.001 0.000 1.281 146 S CA -0.386 57.804 58.200 -0.017 0.000 1.050 146 S CB 0.760 63.941 63.200 -0.032 0.000 0.937 146 S HN 0.696 nan 8.310 nan 0.000 0.492 147 E N 3.565 123.755 120.200 -0.016 0.000 2.256 147 E HA 0.265 4.615 4.350 -0.000 0.000 0.268 147 E C -1.011 175.607 176.600 0.031 0.000 0.877 147 E CA -0.601 55.818 56.400 0.032 0.000 0.757 147 E CB 1.177 30.915 29.700 0.063 0.000 1.183 147 E HN 0.702 nan 8.360 nan 0.000 0.418 148 E N 3.575 123.829 120.200 0.090 0.000 2.373 148 E HA 0.345 4.695 4.350 -0.000 0.000 0.267 148 E C -0.288 176.391 176.600 0.132 0.000 1.032 148 E CA -0.082 56.385 56.400 0.111 0.000 0.889 148 E CB 0.936 30.747 29.700 0.186 0.000 0.984 148 E HN 0.392 nan 8.360 nan 0.000 0.425 149 L N -0.284 121.007 121.223 0.114 0.000 2.540 149 L HA 0.527 4.867 4.340 -0.000 0.000 0.256 149 L C -0.479 176.455 176.870 0.107 0.000 1.001 149 L CA -1.049 53.876 54.840 0.141 0.000 0.843 149 L CB 1.707 43.838 42.059 0.121 0.000 1.436 149 L HN 0.193 nan 8.230 nan 0.000 0.410 150 N N 0.556 119.322 118.700 0.109 0.000 2.454 150 N HA 0.345 5.085 4.740 -0.000 0.000 0.177 150 N C -0.516 175.019 175.510 0.042 0.000 1.049 150 N CA 0.478 53.575 53.050 0.079 0.000 0.887 150 N CB 0.756 39.290 38.487 0.078 0.000 1.095 150 N HN 0.553 nan 8.380 nan 0.000 0.446 151 L N 0.247 121.494 121.223 0.041 0.000 2.445 151 L HA 0.596 4.936 4.340 -0.000 0.000 0.262 151 L C -1.691 175.175 176.870 -0.006 0.000 0.974 151 L CA -0.742 54.101 54.840 0.004 0.000 0.822 151 L CB 2.343 44.442 42.059 0.066 0.000 1.339 151 L HN -0.278 nan 8.230 nan 0.000 0.409 152 V N 5.371 125.220 119.914 -0.108 0.000 2.638 152 V HA 0.549 4.669 4.120 -0.000 0.000 0.306 152 V C -0.733 175.421 176.094 0.100 0.000 1.052 152 V CA -0.544 61.728 62.300 -0.046 0.000 0.885 152 V CB 1.967 33.578 31.823 -0.353 0.000 0.999 152 V HN 0.494 nan 8.190 nan 0.000 0.424 153 I N 5.793 126.498 120.570 0.224 0.000 2.339 153 I HA 0.548 4.718 4.170 -0.000 0.000 0.290 153 I C -0.161 176.178 176.117 0.369 0.000 0.994 153 I CA -0.189 61.290 61.300 0.298 0.000 1.191 153 I CB 1.351 39.560 38.000 0.347 0.000 1.343 153 I HN 0.552 nan 8.210 nan 0.000 0.458 154 I N 3.479 124.277 120.570 0.380 0.000 2.934 154 I HA 0.680 4.850 4.170 -0.000 0.000 0.306 154 I C 0.464 176.784 176.117 0.339 0.000 1.110 154 I CA -0.624 60.884 61.300 0.348 0.000 1.019 154 I CB 2.385 40.589 38.000 0.340 0.000 1.227 154 I HN 0.611 nan 8.210 nan 0.000 0.434 155 G N 4.240 113.132 108.800 0.154 0.000 2.594 155 G HA2 0.344 4.303 3.960 -0.000 0.000 0.243 155 G HA3 0.344 4.303 3.960 -0.000 0.000 0.243 155 G C -2.636 172.387 174.900 0.205 0.000 1.229 155 G CA -0.776 44.400 45.100 0.127 0.000 0.843 155 G HN 0.445 nan 8.290 nan 0.000 0.578 156 P HA 0.104 nan 4.420 nan 0.000 0.273 156 P C 0.349 177.727 177.300 0.130 0.000 1.250 156 P CA -0.244 62.999 63.100 0.238 0.000 0.793 156 P CB 1.492 33.367 31.700 0.291 0.000 1.011 157 S N -0.115 115.638 115.700 0.089 0.000 2.232 157 S HA 0.384 4.854 4.470 -0.000 0.000 0.240 157 S C 1.842 176.460 174.600 0.029 0.000 1.224 157 S CA 0.314 58.534 58.200 0.033 0.000 1.019 157 S CB -0.560 62.656 63.200 0.025 0.000 1.039 157 S HN 0.474 nan 8.310 nan 0.000 0.439 158 A N 1.050 123.896 122.820 0.043 0.000 1.859 158 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 158 A C 1.017 178.582 177.584 -0.031 0.000 1.209 158 A CA 1.932 54.035 52.037 0.110 0.000 0.639 158 A CB -1.077 18.056 19.000 0.221 0.000 0.835 158 A HN 0.738 nan 8.150 nan 0.000 0.450 159 D N -0.145 120.151 120.400 -0.174 0.000 2.344 159 D HA 0.252 4.892 4.640 -0.000 0.000 0.253 159 D C 1.018 177.124 176.300 -0.324 0.000 1.255 159 D CA -0.097 53.555 54.000 -0.581 0.000 0.894 159 D CB 0.159 40.724 40.800 -0.391 0.000 1.067 159 D HN 0.353 nan 8.370 nan 0.000 0.492 160 I N 3.870 124.216 120.570 -0.373 0.000 2.423 160 I HA -0.251 3.919 4.170 -0.000 0.000 0.254 160 I C 1.923 177.889 176.117 -0.252 0.000 1.151 160 I CA 0.894 62.041 61.300 -0.255 0.000 1.421 160 I CB -0.103 37.634 38.000 -0.437 0.000 1.079 160 I HN 0.569 nan 8.210 nan 0.000 0.431 161 I N -1.954 118.391 120.570 -0.375 0.000 3.861 161 I HA 0.087 4.257 4.170 -0.000 0.000 0.329 161 I C 1.133 176.907 176.117 -0.571 0.000 1.321 161 I CA -0.005 60.952 61.300 -0.572 0.000 1.126 161 I CB -0.221 37.584 38.000 -0.324 0.000 1.018 161 I HN 0.118 nan 8.210 nan 0.000 0.407 162 Q N 2.393 122.030 119.800 -0.271 0.000 2.844 162 Q HA 0.249 4.589 4.340 -0.000 0.000 0.235 162 Q C -1.038 175.037 176.000 0.124 0.000 1.336 162 Q CA -0.670 55.071 55.803 -0.103 0.000 1.026 162 Q CB 0.168 28.882 28.738 -0.039 0.000 1.513 162 Q HN 0.284 nan 8.270 nan 0.000 0.577 163 F N 2.299 122.348 119.950 0.164 0.000 2.418 163 F HA 0.314 4.841 4.527 -0.000 0.000 0.341 163 F C 0.642 176.557 175.800 0.192 0.000 1.120 163 F CA -0.776 57.358 58.000 0.223 0.000 1.232 163 F CB 0.587 39.788 39.000 0.335 0.000 1.175 163 F HN 0.447 nan 8.300 nan 0.000 0.569 164 E N 0.060 120.496 120.200 0.394 0.000 2.392 164 E HA 0.336 4.686 4.350 -0.000 0.000 0.281 164 E C -2.147 174.575 176.600 0.203 0.000 1.088 164 E CA -1.016 55.533 56.400 0.248 0.000 0.850 164 E CB 1.212 31.006 29.700 0.157 0.000 1.267 164 E HN 0.545 nan 8.360 nan 0.000 0.438 165 C N 2.716 122.097 119.300 0.134 0.000 2.255 165 C HA 0.584 5.043 4.460 -0.000 0.000 0.326 165 C C -0.452 174.589 174.990 0.084 0.000 1.258 165 C CA -0.128 58.964 59.018 0.123 0.000 1.676 165 C CB -0.834 26.979 27.740 0.121 0.000 2.314 165 C HN 0.654 nan 8.230 nan 0.000 0.509 166 K N 4.038 124.500 120.400 0.104 0.000 2.400 166 K HA 0.893 5.213 4.320 -0.000 0.000 0.246 166 K C -1.005 175.625 176.600 0.050 0.000 0.995 166 K CA -0.290 56.022 56.287 0.042 0.000 0.840 166 K CB 1.912 34.401 32.500 -0.018 0.000 1.293 166 K HN 0.669 nan 8.250 nan 0.000 0.445 167 S N 0.048 115.719 115.700 -0.048 0.000 2.588 167 S HA 0.535 5.005 4.470 -0.000 0.000 0.269 167 S C -0.982 173.512 174.600 -0.176 0.000 1.157 167 S CA -1.003 57.168 58.200 -0.048 0.000 0.824 167 S CB 0.305 63.582 63.200 0.129 0.000 1.126 167 S HN 0.403 nan 8.310 nan 0.000 0.464 168 F N 1.620 121.638 119.950 0.114 0.000 2.429 168 F HA 0.611 5.138 4.527 -0.000 0.000 0.348 168 F C 1.473 177.335 175.800 0.104 0.000 1.109 168 F CA 0.696 58.739 58.000 0.071 0.000 1.232 168 F CB 0.632 39.662 39.000 0.050 0.000 1.157 168 F HN 0.984 nan 8.300 nan 0.000 0.564 169 G N 0.468 109.432 108.800 0.272 0.000 2.510 169 G HA2 0.379 4.339 3.960 -0.000 0.000 0.280 169 G HA3 0.379 4.339 3.960 -0.000 0.000 0.280 169 G C -1.731 173.316 174.900 0.246 0.000 1.386 169 G CA -0.223 45.007 45.100 0.218 0.000 1.047 169 G HN 0.685 nan 8.290 nan 0.000 0.527 170 H N -2.073 117.058 119.070 0.101 0.000 2.928 170 H HA 0.359 4.915 4.556 -0.000 0.000 0.371 170 H C 1.027 176.390 175.328 0.058 0.000 1.186 170 H CA -0.527 55.569 56.048 0.079 0.000 1.134 170 H CB 2.022 31.835 29.762 0.084 0.000 1.824 170 H HN 0.489 nan 8.280 nan 0.000 0.554 171 E N 1.613 121.576 120.200 -0.394 0.000 2.153 171 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 171 E C 0.891 177.504 176.600 0.023 0.000 0.988 171 E CA 1.592 57.893 56.400 -0.165 0.000 0.811 171 E CB 0.483 30.045 29.700 -0.230 0.000 0.746 171 E HN 0.280 nan 8.360 nan 0.000 0.466 172 V N -0.151 119.894 119.914 0.217 0.000 3.305 172 V HA 0.136 4.256 4.120 -0.000 0.000 0.247 172 V C -0.002 176.207 176.094 0.191 0.000 1.426 172 V CA -0.061 62.358 62.300 0.198 0.000 1.162 172 V CB 0.511 32.431 31.823 0.162 0.000 0.961 172 V HN -0.010 nan 8.190 nan 0.000 0.449 173 L N 2.275 123.661 121.223 0.272 0.000 2.380 173 L HA 0.356 4.696 4.340 -0.000 0.000 0.273 173 L C -0.112 176.789 176.870 0.052 0.000 1.138 173 L CA 0.268 55.111 54.840 0.005 0.000 0.832 173 L CB 0.375 42.267 42.059 -0.278 0.000 1.124 173 L HN 0.312 nan 8.230 nan 0.000 0.454 174 N N 3.421 122.124 118.700 0.006 0.000 3.105 174 N HA 0.211 4.951 4.740 -0.000 0.000 0.256 174 N C 1.012 176.556 175.510 0.056 0.000 1.174 174 N CA -0.302 52.785 53.050 0.062 0.000 1.030 174 N CB 0.671 39.207 38.487 0.081 0.000 1.305 174 N HN 0.566 nan 8.380 nan 0.000 0.509 175 L N 0.026 121.298 121.223 0.082 0.000 2.081 175 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 175 L C 2.450 179.426 176.870 0.176 0.000 1.080 175 L CA 1.270 56.187 54.840 0.129 0.000 0.754 175 L CB -0.776 41.392 42.059 0.181 0.000 0.893 175 L HN 0.579 nan 8.230 nan 0.000 0.433 176 T N -3.573 111.081 114.554 0.165 0.000 3.148 176 T HA 0.031 4.381 4.350 -0.000 0.000 0.253 176 T C 1.515 176.329 174.700 0.191 0.000 1.134 176 T CA 0.181 62.386 62.100 0.176 0.000 1.051 176 T CB 0.038 68.997 68.868 0.151 0.000 0.959 176 T HN 0.321 nan 8.240 nan 0.000 0.525 177 R N 0.811 121.441 120.500 0.218 0.000 2.549 177 R HA 0.243 4.583 4.340 -0.000 0.000 0.361 177 R C 0.581 177.146 176.300 0.441 0.000 0.969 177 R CA 0.072 56.379 56.100 0.345 0.000 1.158 177 R CB 0.411 30.891 30.300 0.300 0.000 1.456 177 R HN 0.388 nan 8.270 nan 0.000 0.540 178 N N -0.600 118.254 118.700 0.256 0.000 2.291 178 N HA 0.098 4.837 4.740 -0.000 0.000 0.244 178 N C 0.879 176.497 175.510 0.181 0.000 1.216 178 N CA 0.485 53.617 53.050 0.137 0.000 0.879 178 N CB 1.155 39.542 38.487 -0.166 0.000 1.167 178 N HN 0.158 nan 8.380 nan 0.000 0.515 179 G N 0.330 109.346 108.800 0.360 0.000 2.267 179 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.257 179 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.257 179 G C 0.590 175.713 174.900 0.371 0.000 0.998 179 G CA 0.638 45.990 45.100 0.420 0.000 0.620 179 G HN 0.309 nan 8.290 nan 0.000 0.529 180 Y N 0.983 121.337 120.300 0.090 0.000 2.133 180 Y HA 0.337 4.887 4.550 -0.000 0.000 0.287 180 Y C 2.288 178.313 175.900 0.207 0.000 1.134 180 Y CA 1.747 59.930 58.100 0.138 0.000 1.133 180 Y CB -0.836 37.716 38.460 0.154 0.000 0.987 180 Y HN 1.493 nan 8.280 nan 0.000 0.502 181 G N -0.570 108.446 108.800 0.361 0.000 2.746 181 G HA2 0.149 4.109 3.960 -0.000 0.000 0.685 181 G HA3 0.149 4.109 3.960 -0.000 0.000 0.685 181 G C -0.581 174.465 174.900 0.243 0.000 1.350 181 G CA -0.372 44.878 45.100 0.250 0.000 0.837 181 G HN 0.832 nan 8.290 nan 0.000 0.564 182 S N -1.460 114.361 115.700 0.202 0.000 2.570 182 S HA 0.790 5.260 4.470 -0.000 0.000 0.270 182 S C -0.256 174.456 174.600 0.186 0.000 1.149 182 S CA 0.069 58.394 58.200 0.208 0.000 0.837 182 S CB 1.699 65.033 63.200 0.224 0.000 1.124 182 S HN 1.586 nan 8.310 nan 0.000 0.465 183 T N 3.205 117.881 114.554 0.204 0.000 2.902 183 T HA 0.218 4.568 4.350 -0.000 0.000 0.301 183 T C -0.368 174.429 174.700 0.162 0.000 1.012 183 T CA 0.082 62.276 62.100 0.157 0.000 1.151 183 T CB 0.049 69.022 68.868 0.176 0.000 0.946 183 T HN 0.471 nan 8.240 nan 0.000 0.542 184 Q N 2.197 122.033 119.800 0.060 0.000 2.256 184 Q HA 0.345 4.685 4.340 -0.000 0.000 0.257 184 Q C -1.130 174.845 176.000 -0.043 0.000 0.936 184 Q CA -0.387 55.468 55.803 0.087 0.000 0.903 184 Q CB 1.487 30.282 28.738 0.095 0.000 1.263 184 Q HN 0.649 nan 8.270 nan 0.000 0.440 185 Y N 1.763 122.098 120.300 0.059 0.000 2.345 185 Y HA 0.426 4.976 4.550 -0.000 0.000 0.331 185 Y C 0.158 176.117 175.900 0.099 0.000 0.959 185 Y CA -0.467 57.680 58.100 0.078 0.000 1.204 185 Y CB 1.070 39.542 38.460 0.020 0.000 1.135 185 Y HN 0.409 nan 8.280 nan 0.000 0.477 186 I N 4.859 125.563 120.570 0.222 0.000 2.307 186 I HA 0.375 4.545 4.170 -0.000 0.000 0.289 186 I C -0.040 176.242 176.117 0.276 0.000 1.021 186 I CA -0.706 60.724 61.300 0.215 0.000 1.224 186 I CB 0.837 38.919 38.000 0.136 0.000 1.376 186 I HN 0.445 nan 8.210 nan 0.000 0.470 187 R N 6.009 126.684 120.500 0.291 0.000 2.316 187 R HA 0.492 4.832 4.340 -0.000 0.000 0.314 187 R C -1.018 175.497 176.300 0.359 0.000 1.069 187 R CA 0.030 56.324 56.100 0.323 0.000 0.959 187 R CB 0.652 31.130 30.300 0.297 0.000 0.987 187 R HN 0.477 nan 8.270 nan 0.000 0.446 188 F N 0.695 120.682 119.950 0.062 0.000 2.693 188 F HA 0.378 4.905 4.527 -0.000 0.000 0.309 188 F C -1.399 174.300 175.800 -0.168 0.000 1.129 188 F CA -0.564 57.192 58.000 -0.408 0.000 0.948 188 F CB 2.158 40.948 39.000 -0.350 0.000 1.315 188 F HN 0.363 nan 8.300 nan 0.000 0.447 189 S N 4.436 119.163 115.700 -1.621 0.000 2.619 189 S HA 0.545 5.015 4.470 -0.000 0.000 0.280 189 S C -2.619 171.280 174.600 -1.167 0.000 1.150 189 S CA -1.279 56.492 58.200 -0.716 0.000 0.978 189 S CB 2.180 65.461 63.200 0.135 0.000 1.041 189 S HN 0.506 nan 8.310 nan 0.000 0.485 190 P HA 0.243 nan 4.420 nan 0.000 0.255 190 P C -0.025 177.125 177.300 -0.250 0.000 1.248 190 P CA 0.167 63.041 63.100 -0.376 0.000 0.807 190 P CB 0.229 31.794 31.700 -0.225 0.000 1.150 191 D N -0.591 119.695 120.400 -0.189 0.000 2.349 191 D HA 0.123 4.763 4.640 -0.000 0.000 0.215 191 D C 0.185 176.077 176.300 -0.680 0.000 1.016 191 D CA 0.704 54.492 54.000 -0.352 0.000 0.870 191 D CB 0.122 40.750 40.800 -0.287 0.000 0.917 191 D HN 0.216 nan 8.370 nan 0.000 0.524 192 F N -0.802 119.034 119.950 -0.190 0.000 2.613 192 F HA 0.442 4.969 4.527 -0.000 0.000 0.314 192 F C 0.403 176.084 175.800 -0.199 0.000 1.075 192 F CA -0.845 57.029 58.000 -0.210 0.000 0.945 192 F CB 2.262 41.065 39.000 -0.328 0.000 1.310 192 F HN -0.463 nan 8.300 nan 0.000 0.467 193 T N 0.458 114.998 114.554 -0.022 0.000 2.787 193 T HA 0.720 5.070 4.350 -0.000 0.000 0.297 193 T C -1.753 172.794 174.700 -0.254 0.000 1.221 193 T CA -0.576 61.464 62.100 -0.101 0.000 1.006 193 T CB 0.797 69.819 68.868 0.257 0.000 1.328 193 T HN 0.264 nan 8.240 nan 0.000 0.509 194 F N 0.305 120.414 119.950 0.264 0.000 2.483 194 F HA 0.728 5.255 4.527 -0.000 0.000 0.329 194 F C 1.067 177.076 175.800 0.348 0.000 1.064 194 F CA -0.806 57.321 58.000 0.212 0.000 0.986 194 F CB 1.430 40.491 39.000 0.102 0.000 1.218 194 F HN 0.662 nan 8.300 nan 0.000 0.484 195 G N 0.717 109.821 108.800 0.507 0.000 2.400 195 G HA2 0.643 4.603 3.960 -0.000 0.000 0.333 195 G HA3 0.643 4.603 3.960 -0.000 0.000 0.333 195 G C -1.720 173.420 174.900 0.400 0.000 1.143 195 G CA -0.540 44.845 45.100 0.475 0.000 0.914 195 G HN 0.575 nan 8.290 nan 0.000 0.480 196 F N -1.134 118.914 119.950 0.162 0.000 2.626 196 F HA 0.715 5.242 4.527 -0.000 0.000 0.311 196 F C -0.554 175.328 175.800 0.137 0.000 1.088 196 F CA -1.652 56.417 58.000 0.115 0.000 0.949 196 F CB 1.392 40.436 39.000 0.074 0.000 1.322 196 F HN 0.407 nan 8.300 nan 0.000 0.461 197 E N 0.940 121.239 120.200 0.164 0.000 2.197 197 E HA 0.464 4.814 4.350 -0.000 0.000 0.281 197 E C -1.292 175.407 176.600 0.166 0.000 0.995 197 E CA -0.642 55.811 56.400 0.088 0.000 0.808 197 E CB 1.804 31.562 29.700 0.097 0.000 1.093 197 E HN 0.567 nan 8.360 nan 0.000 0.394 198 E N 1.325 121.612 120.200 0.145 0.000 2.321 198 E HA 0.218 4.568 4.350 -0.000 0.000 0.278 198 E C -1.755 174.933 176.600 0.148 0.000 0.902 198 E CA -0.493 55.983 56.400 0.127 0.000 0.758 198 E CB 1.972 31.658 29.700 -0.022 0.000 1.213 198 E HN 0.255 nan 8.360 nan 0.000 0.426 199 S N 4.615 120.374 115.700 0.099 0.000 2.438 199 S HA 0.409 4.879 4.470 -0.000 0.000 0.316 199 S C -0.423 174.229 174.600 0.086 0.000 1.084 199 S CA -0.610 57.651 58.200 0.101 0.000 1.107 199 S CB 0.103 63.347 63.200 0.073 0.000 0.981 199 S HN 0.568 nan 8.310 nan 0.000 0.466 200 L N 5.108 126.399 121.223 0.114 0.000 2.865 200 L HA 0.439 4.779 4.340 -0.000 0.000 0.233 200 L C -0.172 176.748 176.870 0.084 0.000 1.320 200 L CA -0.185 54.717 54.840 0.104 0.000 1.225 200 L CB -0.207 41.941 42.059 0.149 0.000 1.542 200 L HN 0.507 nan 8.230 nan 0.000 0.432 201 E N -0.114 120.126 120.200 0.066 0.000 2.234 201 E HA 0.224 4.574 4.350 -0.000 0.000 0.266 201 E C 0.751 177.376 176.600 0.041 0.000 0.877 201 E CA -0.489 55.941 56.400 0.050 0.000 0.758 201 E CB 2.798 32.526 29.700 0.046 0.000 1.170 201 E HN -0.126 nan 8.360 nan 0.000 0.415 202 V N 1.629 121.564 119.914 0.035 0.000 2.214 202 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 202 V C 0.846 176.955 176.094 0.026 0.000 1.047 202 V CA 1.727 64.045 62.300 0.029 0.000 0.998 202 V CB -0.250 31.587 31.823 0.023 0.000 0.633 202 V HN 0.601 nan 8.190 nan 0.000 0.446 203 D N 0.402 120.815 120.400 0.023 0.000 2.414 203 D HA 0.211 4.851 4.640 -0.000 0.000 0.251 203 D C 0.491 176.804 176.300 0.021 0.000 1.252 203 D CA 0.604 54.616 54.000 0.019 0.000 0.999 203 D CB 0.527 41.337 40.800 0.016 0.000 1.093 203 D HN 0.464 nan 8.370 nan 0.000 0.515 204 T N -0.953 113.612 114.554 0.018 0.000 3.355 204 T HA 0.227 4.577 4.350 -0.000 0.000 0.376 204 T C -0.040 174.671 174.700 0.018 0.000 1.683 204 T CA -0.851 61.261 62.100 0.019 0.000 1.269 204 T CB -0.360 68.518 68.868 0.016 0.000 1.158 204 T HN 0.202 nan 8.240 nan 0.000 0.703 205 N N 3.862 122.573 118.700 0.020 0.000 2.752 205 N HA 0.247 4.987 4.740 -0.000 0.000 0.260 205 N C -2.828 172.693 175.510 0.019 0.000 1.562 205 N CA -0.946 52.115 53.050 0.017 0.000 0.788 205 N CB 1.500 39.996 38.487 0.015 0.000 1.192 205 N HN 0.489 nan 8.380 nan 0.000 0.503 206 P HA 0.362 nan 4.420 nan 0.000 0.288 206 P C 0.277 177.586 177.300 0.015 0.000 1.267 206 P CA -0.438 62.674 63.100 0.021 0.000 0.815 206 P CB 2.294 34.009 31.700 0.024 0.000 0.989 207 L N 1.154 122.385 121.223 0.013 0.000 2.746 207 L HA 0.195 4.535 4.340 -0.000 0.000 0.230 207 L C 1.223 178.096 176.870 0.006 0.000 1.034 207 L CA 0.012 54.858 54.840 0.009 0.000 0.922 207 L CB -0.034 42.029 42.059 0.007 0.000 1.496 207 L HN 0.229 nan 8.230 nan 0.000 0.498 208 L N 1.989 123.215 121.223 0.005 0.000 2.928 208 L HA 0.366 4.706 4.340 -0.000 0.000 0.236 208 L C 0.671 177.540 176.870 -0.001 0.000 1.290 208 L CA 0.416 55.255 54.840 -0.001 0.000 1.099 208 L CB -1.189 40.867 42.059 -0.005 0.000 1.437 208 L HN 0.379 nan 8.230 nan 0.000 0.493 209 G N 0.633 109.436 108.800 0.005 0.000 2.856 209 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.674 209 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.674 209 G C 0.271 175.179 174.900 0.014 0.000 1.519 209 G CA -0.329 44.776 45.100 0.008 0.000 0.940 209 G HN 0.651 nan 8.290 nan 0.000 0.564 210 A N 0.355 123.190 122.820 0.024 0.000 2.429 210 A HA 0.728 5.048 4.320 -0.000 0.000 0.242 210 A C 1.414 179.015 177.584 0.028 0.000 1.088 210 A CA 1.055 53.119 52.037 0.044 0.000 0.784 210 A CB 0.124 19.159 19.000 0.059 0.000 1.038 210 A HN 2.469 nan 8.150 nan 0.000 0.501 211 G N -0.088 108.758 108.800 0.078 0.000 2.467 211 G HA2 0.477 4.437 3.960 -0.000 0.000 0.257 211 G HA3 0.477 4.437 3.960 -0.000 0.000 0.257 211 G C -0.477 174.358 174.900 -0.108 0.000 1.227 211 G CA -0.390 44.711 45.100 0.001 0.000 0.835 211 G HN 0.546 nan 8.290 nan 0.000 0.556 212 K N 0.911 121.072 120.400 -0.397 0.000 2.281 212 K HA 0.518 4.838 4.320 -0.000 0.000 0.272 212 K C -0.919 175.204 176.600 -0.794 0.000 1.048 212 K CA -0.123 55.920 56.287 -0.407 0.000 0.898 212 K CB 0.815 33.153 32.500 -0.270 0.000 1.128 212 K HN 0.328 nan 8.250 nan 0.000 0.460 213 F N 0.505 120.076 119.950 -0.633 0.000 2.618 213 F HA 0.759 5.286 4.527 -0.000 0.000 0.332 213 F C 0.132 175.484 175.800 -0.746 0.000 1.061 213 F CA -1.229 56.303 58.000 -0.781 0.000 0.974 213 F CB 1.657 40.097 39.000 -0.933 0.000 1.310 213 F HN 0.366 nan 8.300 nan 0.000 0.491 214 A N 0.348 122.952 122.820 -0.361 0.000 2.355 214 A HA 0.653 4.973 4.320 -0.000 0.000 0.317 214 A C -0.729 177.067 177.584 0.353 0.000 1.094 214 A CA -0.652 51.299 52.037 -0.144 0.000 0.764 214 A CB 0.643 19.140 19.000 -0.838 0.000 1.230 214 A HN 0.648 nan 8.150 nan 0.000 0.448 215 T N 1.967 116.846 114.554 0.542 0.000 2.888 215 T HA 0.107 4.457 4.350 -0.000 0.000 0.301 215 T C 0.038 175.000 174.700 0.437 0.000 1.001 215 T CA 0.417 62.792 62.100 0.458 0.000 1.147 215 T CB 0.235 69.333 68.868 0.383 0.000 0.931 215 T HN 0.631 nan 8.240 nan 0.000 0.541 216 D N 3.709 124.336 120.400 0.379 0.000 2.371 216 D HA 0.114 4.754 4.640 -0.000 0.000 0.256 216 D C -1.476 174.983 176.300 0.265 0.000 1.193 216 D CA -2.235 52.005 54.000 0.400 0.000 0.881 216 D CB 1.496 42.435 40.800 0.232 0.000 1.143 216 D HN 0.134 nan 8.370 nan 0.000 0.473 217 P HA -0.176 nan 4.420 nan 0.000 0.217 217 P C 0.924 178.282 177.300 0.097 0.000 1.148 217 P CA 1.584 64.802 63.100 0.198 0.000 0.834 217 P CB 0.200 31.930 31.700 0.050 0.000 0.783 218 A N -0.865 121.923 122.820 -0.052 0.000 1.933 218 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 218 A C 2.288 179.767 177.584 -0.175 0.000 1.175 218 A CA 1.735 53.633 52.037 -0.232 0.000 0.628 218 A CB -1.608 17.057 19.000 -0.559 0.000 0.814 218 A HN 0.064 nan 8.150 nan 0.000 0.444 219 V N -0.416 119.457 119.914 -0.069 0.000 2.358 219 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 219 V C 2.717 178.853 176.094 0.070 0.000 1.047 219 V CA 2.370 64.718 62.300 0.080 0.000 1.035 219 V CB -1.249 30.656 31.823 0.137 0.000 0.658 219 V HN 0.595 nan 8.190 nan 0.000 0.452 220 T N 0.698 115.339 114.554 0.146 0.000 2.708 220 T HA -0.192 4.158 4.350 -0.000 0.000 0.266 220 T C 1.903 176.671 174.700 0.115 0.000 1.037 220 T CA 1.835 64.086 62.100 0.251 0.000 1.146 220 T CB -0.350 68.826 68.868 0.513 0.000 0.865 220 T HN 0.283 nan 8.240 nan 0.000 0.435 221 L N 1.521 122.653 121.223 -0.152 0.000 2.056 221 L HA 0.132 4.472 4.340 -0.000 0.000 0.207 221 L C 2.633 179.242 176.870 -0.435 0.000 1.078 221 L CA 1.827 56.297 54.840 -0.617 0.000 0.749 221 L CB -1.176 40.299 42.059 -0.974 0.000 0.901 221 L HN 0.225 nan 8.230 nan 0.000 0.433 222 A N -1.255 121.319 122.820 -0.410 0.000 1.908 222 A HA -0.341 3.979 4.320 -0.000 0.000 0.218 222 A C 2.280 179.633 177.584 -0.385 0.000 1.181 222 A CA 1.968 53.636 52.037 -0.614 0.000 0.627 222 A CB -1.153 17.212 19.000 -1.057 0.000 0.818 222 A HN 0.759 nan 8.150 nan 0.000 0.445 223 H N -0.351 118.572 119.070 -0.246 0.000 2.319 223 H HA -0.133 4.422 4.556 -0.000 0.000 0.299 223 H C 1.940 177.197 175.328 -0.118 0.000 1.092 223 H CA 2.025 57.999 56.048 -0.123 0.000 1.302 223 H CB 0.091 29.877 29.762 0.041 0.000 1.373 223 H HN 0.394 nan 8.280 nan 0.000 0.497 224 E N 0.440 120.718 120.200 0.130 0.000 2.150 224 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 224 E C 2.532 179.119 176.600 -0.023 0.000 0.985 224 E CA 0.670 57.168 56.400 0.163 0.000 0.814 224 E CB -0.178 29.612 29.700 0.150 0.000 0.752 224 E HN 0.566 nan 8.360 nan 0.000 0.466 225 L N 0.369 121.492 121.223 -0.166 0.000 2.201 225 L HA -0.096 4.244 4.340 -0.000 0.000 0.212 225 L C 2.396 179.150 176.870 -0.194 0.000 1.105 225 L CA 0.614 55.349 54.840 -0.175 0.000 0.775 225 L CB -0.282 41.620 42.059 -0.261 0.000 0.913 225 L HN 0.085 nan 8.230 nan 0.000 0.440 226 I N -1.233 119.162 120.570 -0.291 0.000 2.252 226 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 226 I C 2.596 178.347 176.117 -0.609 0.000 1.102 226 I CA 0.879 61.940 61.300 -0.399 0.000 1.385 226 I CB -0.425 37.331 38.000 -0.408 0.000 1.064 226 I HN 0.308 nan 8.210 nan 0.000 0.414 227 H N 0.690 119.526 119.070 -0.390 0.000 2.353 227 H HA -0.068 4.488 4.556 -0.000 0.000 0.300 227 H C 2.365 177.614 175.328 -0.131 0.000 1.090 227 H CA 1.576 57.459 56.048 -0.276 0.000 1.327 227 H CB -0.271 29.449 29.762 -0.071 0.000 1.383 227 H HN 0.342 nan 8.280 nan 0.000 0.508 228 A N 0.785 123.635 122.820 0.050 0.000 1.940 228 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 228 A C 2.842 180.490 177.584 0.106 0.000 1.176 228 A CA 1.672 53.758 52.037 0.082 0.000 0.631 228 A CB -1.136 17.900 19.000 0.060 0.000 0.814 228 A HN 0.475 nan 8.150 nan 0.000 0.446 229 G N -0.987 107.841 108.800 0.047 0.000 2.421 229 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 229 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 229 G C 1.371 176.463 174.900 0.320 0.000 1.171 229 G CA 1.174 46.382 45.100 0.180 0.000 0.775 229 G HN 0.796 nan 8.290 nan 0.000 0.543 230 H N 0.230 119.394 119.070 0.156 0.000 2.319 230 H HA -0.015 4.541 4.556 -0.000 0.000 0.299 230 H C 2.992 178.421 175.328 0.168 0.000 1.092 230 H CA 1.057 57.177 56.048 0.119 0.000 1.302 230 H CB 0.074 29.873 29.762 0.063 0.000 1.373 230 H HN 0.246 nan 8.280 nan 0.000 0.497 231 R N 0.126 120.800 120.500 0.289 0.000 2.115 231 R HA -0.085 4.255 4.340 -0.000 0.000 0.230 231 R C 1.864 178.295 176.300 0.217 0.000 1.111 231 R CA 0.519 56.754 56.100 0.225 0.000 0.976 231 R CB -0.018 30.390 30.300 0.181 0.000 0.870 231 R HN 0.148 nan 8.270 nan 0.000 0.445 232 L N -0.569 120.785 121.223 0.218 0.000 2.217 232 L HA -0.095 4.244 4.340 -0.000 0.000 0.211 232 L C 1.157 178.034 176.870 0.012 0.000 1.107 232 L CA 1.630 56.539 54.840 0.116 0.000 0.783 232 L CB -0.402 41.710 42.059 0.088 0.000 0.919 232 L HN 0.149 nan 8.230 nan 0.000 0.442 233 Y N -0.569 119.850 120.300 0.198 0.000 2.468 233 Y HA 0.362 4.912 4.550 -0.000 0.000 0.268 233 Y C 1.696 177.799 175.900 0.338 0.000 1.177 233 Y CA 0.126 58.383 58.100 0.262 0.000 1.265 233 Y CB -0.207 38.425 38.460 0.287 0.000 1.103 233 Y HN 0.242 nan 8.280 nan 0.000 0.522 234 G N 1.957 110.960 108.800 0.339 0.000 2.283 234 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.280 234 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.280 234 G C 0.573 175.568 174.900 0.158 0.000 1.029 234 G CA 0.861 46.134 45.100 0.288 0.000 0.840 234 G HN 0.684 nan 8.290 nan 0.000 0.505 235 I N -3.213 117.350 120.570 -0.012 0.000 3.833 235 I HA 0.762 4.932 4.170 -0.000 0.000 0.328 235 I C 0.942 176.836 176.117 -0.371 0.000 1.554 235 I CA -0.266 60.664 61.300 -0.618 0.000 1.116 235 I CB 0.425 38.113 38.000 -0.519 0.000 1.182 235 I HN 0.307 nan 8.210 nan 0.000 0.459 236 A N 2.041 124.831 122.820 -0.049 0.000 2.407 236 A HA 0.560 4.880 4.320 -0.000 0.000 0.248 236 A C 0.207 177.777 177.584 -0.023 0.000 1.082 236 A CA -0.195 51.853 52.037 0.019 0.000 0.785 236 A CB 0.358 19.435 19.000 0.129 0.000 1.020 236 A HN 0.353 nan 8.150 nan 0.000 0.489 237 I N 2.455 122.951 120.570 -0.122 0.000 2.395 237 I HA 0.072 4.242 4.170 -0.000 0.000 0.289 237 I C 0.777 176.837 176.117 -0.095 0.000 1.023 237 I CA -0.517 60.622 61.300 -0.269 0.000 1.350 237 I CB 0.380 38.041 38.000 -0.564 0.000 1.409 237 I HN 0.703 nan 8.210 nan 0.000 0.507 238 N N 9.323 127.985 118.700 -0.063 0.000 2.294 238 N HA -0.047 4.693 4.740 -0.000 0.000 0.263 238 N C -1.426 174.084 175.510 -0.001 0.000 1.281 238 N CA -0.685 52.363 53.050 -0.003 0.000 0.846 238 N CB 1.052 39.543 38.487 0.006 0.000 1.061 238 N HN 0.367 nan 8.380 nan 0.000 0.478 239 P HA -0.159 nan 4.420 nan 0.000 0.223 239 P C 0.364 177.672 177.300 0.014 0.000 1.144 239 P CA 1.185 64.298 63.100 0.021 0.000 0.783 239 P CB 0.088 31.803 31.700 0.024 0.000 0.771 240 N N -0.919 117.785 118.700 0.007 0.000 2.467 240 N HA -0.066 4.674 4.740 -0.000 0.000 0.184 240 N C 0.604 176.100 175.510 -0.022 0.000 1.106 240 N CA 0.276 53.325 53.050 -0.002 0.000 0.892 240 N CB -0.570 37.918 38.487 0.002 0.000 0.969 240 N HN -0.113 nan 8.380 nan 0.000 0.454 241 R N 1.543 122.029 120.500 -0.024 0.000 2.248 241 R HA 0.251 4.591 4.340 -0.000 0.000 0.337 241 R C -0.137 176.080 176.300 -0.139 0.000 1.106 241 R CA -0.408 55.657 56.100 -0.057 0.000 0.959 241 R CB 0.000 30.309 30.300 0.014 0.000 1.075 241 R HN 0.233 nan 8.270 nan 0.000 0.480 242 V N -0.242 119.526 119.914 -0.243 0.000 3.126 242 V HA 0.753 4.873 4.120 -0.000 0.000 0.314 242 V C -0.773 175.032 176.094 -0.481 0.000 1.138 242 V CA -1.085 61.056 62.300 -0.266 0.000 1.034 242 V CB 2.247 34.029 31.823 -0.069 0.000 1.075 242 V HN 0.315 nan 8.190 nan 0.000 0.442 243 F N 0.718 120.706 119.950 0.064 0.000 2.551 243 F HA 0.691 5.218 4.527 0.000 0.000 0.316 243 F C 0.109 175.928 175.800 0.032 0.000 1.089 243 F CA -0.826 57.200 58.000 0.044 0.000 0.915 243 F CB 2.065 41.072 39.000 0.012 0.000 1.186 243 F HN 0.459 nan 8.300 nan 0.000 0.456 244 K N 2.979 123.516 120.400 0.229 0.000 2.201 244 K HA 0.664 4.984 4.320 -0.000 0.000 0.278 244 K C -1.394 175.272 176.600 0.110 0.000 1.027 244 K CA -0.284 56.081 56.287 0.129 0.000 0.909 244 K CB 1.154 33.712 32.500 0.096 0.000 1.062 244 K HN 0.603 nan 8.250 nan 0.000 0.465 245 V N 1.436 121.392 119.914 0.071 0.000 2.777 245 V HA 0.660 4.780 4.120 -0.000 0.000 0.306 245 V C -0.909 175.199 176.094 0.022 0.000 1.112 245 V CA -0.967 61.354 62.300 0.035 0.000 0.917 245 V CB 1.890 33.718 31.823 0.009 0.000 1.018 245 V HN 0.851 nan 8.190 nan 0.000 0.426 246 N N 2.015 120.716 118.700 0.002 0.000 3.134 246 N HA 0.149 4.889 4.740 -0.000 0.000 0.235 246 N C 0.721 176.212 175.510 -0.032 0.000 1.092 246 N CA 0.364 53.409 53.050 -0.008 0.000 1.038 246 N CB 2.552 41.025 38.487 -0.024 0.000 1.684 246 N HN 1.013 nan 8.380 nan 0.000 0.551 247 T N 0.001 114.540 114.554 -0.025 0.000 2.803 247 T HA -0.086 4.264 4.350 -0.000 0.000 0.269 247 T C 0.628 175.286 174.700 -0.069 0.000 1.052 247 T CA 1.352 63.432 62.100 -0.033 0.000 1.136 247 T CB -0.186 68.673 68.868 -0.015 0.000 0.864 247 T HN 0.501 nan 8.240 nan 0.000 0.467 248 N N 1.657 120.289 118.700 -0.113 0.000 2.458 248 N HA 0.595 5.334 4.740 -0.000 0.000 0.274 248 N C -0.519 174.744 175.510 -0.412 0.000 1.242 248 N CA -0.085 52.832 53.050 -0.221 0.000 0.904 248 N CB 0.780 39.161 38.487 -0.176 0.000 1.206 248 N HN 0.631 nan 8.380 nan 0.000 0.510 249 A N -0.335 122.317 122.820 -0.280 0.000 2.316 249 A HA 0.441 4.761 4.320 -0.000 0.000 0.284 249 A C -0.144 177.285 177.584 -0.259 0.000 1.115 249 A CA -0.140 51.744 52.037 -0.256 0.000 0.812 249 A CB 0.549 19.505 19.000 -0.075 0.000 1.064 249 A HN 0.285 nan 8.150 nan 0.000 0.489 250 Y N 0.421 120.789 120.300 0.113 0.000 2.331 250 Y HA 0.309 4.859 4.550 -0.000 0.000 0.282 250 Y C 0.319 176.415 175.900 0.328 0.000 1.140 250 Y CA 1.014 59.246 58.100 0.220 0.000 1.198 250 Y CB -0.203 38.450 38.460 0.321 0.000 1.159 250 Y HN 0.772 nan 8.280 nan 0.000 0.512 251 Y N -2.301 118.127 120.300 0.214 0.000 2.677 251 Y HA 0.597 5.147 4.550 -0.000 0.000 0.334 251 Y C 0.308 176.271 175.900 0.106 0.000 1.196 251 Y CA -1.911 56.267 58.100 0.130 0.000 1.059 251 Y CB 0.580 39.106 38.460 0.110 0.000 1.315 251 Y HN 0.131 nan 8.280 nan 0.000 0.455 252 E N 0.766 120.995 120.200 0.048 0.000 3.213 252 E HA -0.255 4.095 4.350 -0.000 0.000 0.374 252 E C -1.299 175.268 176.600 -0.055 0.000 1.500 252 E CA 2.551 58.923 56.400 -0.046 0.000 1.497 252 E CB -0.848 28.736 29.700 -0.194 0.000 1.692 252 E HN 0.803 nan 8.360 nan 0.000 0.494 253 M N 0.259 119.795 119.600 -0.106 0.000 2.181 253 M HA 0.497 4.977 4.480 -0.000 0.000 0.323 253 M C -0.787 175.467 176.300 -0.076 0.000 1.004 253 M CA 0.685 55.950 55.300 -0.058 0.000 0.941 253 M CB 2.015 34.594 32.600 -0.034 0.000 1.579 253 M HN 0.552 nan 8.290 nan 0.000 0.427 254 S N 0.784 116.460 115.700 -0.040 0.000 2.514 254 S HA 0.649 5.119 4.470 -0.000 0.000 0.193 254 S C -0.293 174.294 174.600 -0.021 0.000 0.790 254 S CA -0.261 57.923 58.200 -0.026 0.000 0.958 254 S CB -0.534 62.660 63.200 -0.010 0.000 1.696 254 S HN 1.222 nan 8.310 nan 0.000 0.514 255 G N 0.837 109.632 108.800 -0.009 0.000 2.321 255 G HA2 0.445 4.405 3.960 -0.000 0.000 0.296 255 G HA3 0.445 4.405 3.960 -0.000 0.000 0.296 255 G C -1.094 173.820 174.900 0.024 0.000 1.287 255 G CA -0.956 44.144 45.100 -0.001 0.000 0.846 255 G HN 0.477 nan 8.290 nan 0.000 0.508 256 L N 0.305 121.554 121.223 0.044 0.000 2.517 256 L HA 0.332 4.672 4.340 -0.000 0.000 0.294 256 L C 0.217 177.131 176.870 0.073 0.000 1.264 256 L CA 0.556 55.441 54.840 0.075 0.000 0.839 256 L CB 0.105 42.236 42.059 0.121 0.000 1.098 256 L HN 0.749 nan 8.230 nan 0.000 0.525 257 E N 0.570 120.823 120.200 0.087 0.000 2.304 257 E HA 0.637 4.987 4.350 -0.000 0.000 0.277 257 E C -1.436 175.230 176.600 0.110 0.000 0.898 257 E CA -0.691 55.763 56.400 0.090 0.000 0.764 257 E CB 1.871 31.610 29.700 0.065 0.000 1.216 257 E HN 0.121 nan 8.360 nan 0.000 0.419 258 V N 1.658 121.646 119.914 0.123 0.000 2.656 258 V HA 0.636 4.756 4.120 -0.000 0.000 0.307 258 V C -0.058 176.106 176.094 0.116 0.000 1.051 258 V CA -0.833 61.536 62.300 0.116 0.000 0.893 258 V CB 1.991 33.873 31.823 0.097 0.000 0.999 258 V HN 0.869 nan 8.190 nan 0.000 0.426 259 S N 3.423 119.166 115.700 0.072 0.000 2.603 259 S HA 0.312 4.782 4.470 -0.000 0.000 0.268 259 S C 0.839 175.552 174.600 0.188 0.000 1.317 259 S CA -0.150 58.101 58.200 0.085 0.000 1.012 259 S CB 0.635 63.877 63.200 0.071 0.000 0.926 259 S HN 0.597 nan 8.310 nan 0.000 0.539 260 F N 1.671 121.645 119.950 0.040 0.000 2.126 260 F HA -0.041 4.486 4.527 0.000 0.000 0.299 260 F C 2.379 178.245 175.800 0.111 0.000 1.096 260 F CA 2.070 60.185 58.000 0.192 0.000 1.255 260 F CB -0.756 38.297 39.000 0.089 0.000 0.997 260 F HN 0.866 nan 8.300 nan 0.000 0.479 261 E N 0.367 120.791 120.200 0.374 0.000 2.085 261 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 261 E C 2.074 178.838 176.600 0.274 0.000 0.994 261 E CA 1.800 58.372 56.400 0.287 0.000 0.801 261 E CB -0.324 29.501 29.700 0.210 0.000 0.743 261 E HN 0.346 nan 8.360 nan 0.000 0.453 262 E N 0.225 120.519 120.200 0.157 0.000 2.072 262 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 262 E C 2.333 178.860 176.600 -0.121 0.000 0.985 262 E CA 0.919 57.297 56.400 -0.036 0.000 0.801 262 E CB -0.342 29.112 29.700 -0.410 0.000 0.750 262 E HN 0.379 nan 8.360 nan 0.000 0.452 263 L N 0.584 121.769 121.223 -0.064 0.000 2.012 263 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 263 L C 2.865 179.782 176.870 0.078 0.000 1.073 263 L CA 1.501 56.328 54.840 -0.021 0.000 0.748 263 L CB -0.500 41.532 42.059 -0.044 0.000 0.891 263 L HN 0.102 nan 8.230 nan 0.000 0.431 264 R N -0.074 120.497 120.500 0.118 0.000 2.091 264 R HA -0.170 4.170 4.340 -0.000 0.000 0.238 264 R C 2.118 178.489 176.300 0.119 0.000 1.136 264 R CA 2.138 58.320 56.100 0.137 0.000 0.959 264 R CB -0.467 29.962 30.300 0.216 0.000 0.856 264 R HN 0.218 nan 8.270 nan 0.000 0.437 265 T N 0.494 115.110 114.554 0.104 0.000 2.788 265 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 265 T C 1.285 175.984 174.700 -0.002 0.000 1.044 265 T CA 1.453 63.519 62.100 -0.057 0.000 1.139 265 T CB -0.318 68.278 68.868 -0.453 0.000 0.867 265 T HN 0.282 nan 8.240 nan 0.000 0.454 266 F N 1.488 121.449 119.950 0.018 0.000 2.163 266 F HA 0.244 4.771 4.527 -0.000 0.000 0.297 266 F C 1.662 177.503 175.800 0.068 0.000 1.094 266 F CA 1.103 59.177 58.000 0.123 0.000 1.290 266 F CB -0.581 38.527 39.000 0.180 0.000 1.017 266 F HN 0.383 nan 8.300 nan 0.000 0.483 267 G N -0.154 108.757 108.800 0.184 0.000 2.553 267 G HA2 0.156 4.116 3.960 -0.000 0.000 0.242 267 G HA3 0.156 4.116 3.960 -0.000 0.000 0.242 267 G C 0.721 175.702 174.900 0.134 0.000 1.277 267 G CA 0.002 45.147 45.100 0.075 0.000 0.910 267 G HN 1.541 nan 8.290 nan 0.000 0.576 268 G N -1.764 107.036 108.800 0.000 0.000 2.566 268 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.280 268 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.280 268 G C 0.887 175.767 174.900 -0.033 0.000 1.225 268 G CA 1.216 46.280 45.100 -0.060 0.000 0.966 268 G HN 1.779 nan 8.290 nan 0.000 0.560 269 H N 0.983 120.137 119.070 0.140 0.000 2.389 269 H HA -0.041 4.515 4.556 -0.000 0.000 0.299 269 H C 2.488 177.872 175.328 0.094 0.000 1.081 269 H CA 1.884 58.010 56.048 0.130 0.000 1.345 269 H CB -0.383 29.425 29.762 0.077 0.000 1.393 269 H HN 0.522 nan 8.280 nan 0.000 0.520 270 D N 1.063 121.544 120.400 0.135 0.000 2.127 270 D HA -0.150 4.489 4.640 -0.000 0.000 0.190 270 D C 2.323 178.637 176.300 0.023 0.000 1.000 270 D CA 1.644 55.632 54.000 -0.021 0.000 0.839 270 D CB -0.547 40.255 40.800 0.005 0.000 0.955 270 D HN 0.345 nan 8.370 nan 0.000 0.446 271 A N 0.573 123.437 122.820 0.074 0.000 2.019 271 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 271 A C 1.993 179.612 177.584 0.057 0.000 1.164 271 A CA 1.272 53.325 52.037 0.028 0.000 0.644 271 A CB -0.443 18.586 19.000 0.048 0.000 0.805 271 A HN 0.013 nan 8.150 nan 0.000 0.449 272 K N -0.947 119.536 120.400 0.139 0.000 2.360 272 K HA -0.103 4.217 4.320 -0.000 0.000 0.201 272 K C 0.682 177.371 176.600 0.148 0.000 1.046 272 K CA 0.953 57.329 56.287 0.149 0.000 0.940 272 K CB -0.367 32.257 32.500 0.208 0.000 0.748 272 K HN 0.454 nan 8.250 nan 0.000 0.465 273 F N 0.669 120.559 119.950 -0.100 0.000 2.797 273 F HA 0.213 4.740 4.527 -0.000 0.000 0.302 273 F C 0.833 176.482 175.800 -0.251 0.000 1.130 273 F CA -0.209 57.696 58.000 -0.157 0.000 1.387 273 F CB -0.004 38.885 39.000 -0.185 0.000 1.107 273 F HN -0.181 nan 8.300 nan 0.000 0.577 274 I N 0.454 120.961 120.570 -0.106 0.000 2.556 274 I HA -0.028 4.142 4.170 -0.000 0.000 0.284 274 I C 0.459 176.538 176.117 -0.063 0.000 1.114 274 I CA -0.416 60.758 61.300 -0.212 0.000 1.418 274 I CB 0.188 38.057 38.000 -0.218 0.000 1.394 274 I HN -0.149 nan 8.210 nan 0.000 0.552 275 D N 4.377 124.768 120.400 -0.015 0.000 2.487 275 D HA -0.079 4.561 4.640 -0.000 0.000 0.243 275 D C 1.164 177.518 176.300 0.090 0.000 1.154 275 D CA 0.496 54.522 54.000 0.044 0.000 0.876 275 D CB 1.092 41.947 40.800 0.090 0.000 1.161 275 D HN 0.539 nan 8.370 nan 0.000 0.478 276 S N 3.222 118.953 115.700 0.052 0.000 2.400 276 S HA -0.132 4.338 4.470 -0.000 0.000 0.232 276 S C 2.026 176.672 174.600 0.077 0.000 1.025 276 S CA 0.852 59.091 58.200 0.065 0.000 0.993 276 S CB -0.106 63.111 63.200 0.030 0.000 0.808 276 S HN 0.593 nan 8.310 nan 0.000 0.478 277 L N 0.634 121.892 121.223 0.058 0.000 2.109 277 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 277 L C 2.813 179.709 176.870 0.043 0.000 1.086 277 L CA 1.355 56.218 54.840 0.038 0.000 0.760 277 L CB -0.571 41.500 42.059 0.021 0.000 0.910 277 L HN 0.350 nan 8.230 nan 0.000 0.437 278 Q N 0.285 120.144 119.800 0.099 0.000 2.046 278 Q HA -0.200 4.140 4.340 -0.000 0.000 0.200 278 Q C 2.130 178.248 176.000 0.196 0.000 0.975 278 Q CA 1.475 57.349 55.803 0.117 0.000 0.836 278 Q CB 0.059 29.012 28.738 0.360 0.000 0.896 278 Q HN 0.300 nan 8.270 nan 0.000 0.428 279 E N 0.234 120.639 120.200 0.341 0.000 2.023 279 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 279 E C 1.832 178.611 176.600 0.297 0.000 1.003 279 E CA 1.530 58.188 56.400 0.428 0.000 0.809 279 E CB -0.607 29.287 29.700 0.324 0.000 0.755 279 E HN 0.432 nan 8.360 nan 0.000 0.449 280 N N 1.026 119.821 118.700 0.158 0.000 2.205 280 N HA -0.191 4.549 4.740 -0.000 0.000 0.186 280 N C 1.724 177.256 175.510 0.037 0.000 1.015 280 N CA 1.451 54.553 53.050 0.087 0.000 0.862 280 N CB -0.007 38.506 38.487 0.043 0.000 0.986 280 N HN 0.217 nan 8.380 nan 0.000 0.429 281 E N -1.382 118.800 120.200 -0.030 0.000 2.072 281 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 281 E C 1.242 177.765 176.600 -0.128 0.000 0.985 281 E CA 0.934 57.251 56.400 -0.139 0.000 0.801 281 E CB -0.114 29.411 29.700 -0.291 0.000 0.750 281 E HN 0.363 nan 8.360 nan 0.000 0.452 282 F N 0.868 120.827 119.950 0.016 0.000 2.146 282 F HA -0.056 4.471 4.527 -0.000 0.000 0.298 282 F C 2.544 178.370 175.800 0.044 0.000 1.096 282 F CA 0.981 58.985 58.000 0.007 0.000 1.275 282 F CB -0.464 38.626 39.000 0.150 0.000 1.008 282 F HN -0.028 nan 8.300 nan 0.000 0.480 283 R N 0.434 121.034 120.500 0.166 0.000 2.083 283 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 283 R C 2.289 178.588 176.300 -0.001 0.000 1.137 283 R CA 1.305 57.304 56.100 -0.169 0.000 0.951 283 R CB -0.760 29.488 30.300 -0.086 0.000 0.851 283 R HN 0.261 nan 8.270 nan 0.000 0.434 284 L N 0.354 121.585 121.223 0.013 0.000 2.093 284 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 284 L C 1.956 178.830 176.870 0.007 0.000 1.085 284 L CA 1.735 56.578 54.840 0.006 0.000 0.755 284 L CB -1.061 40.998 42.059 -0.001 0.000 0.904 284 L HN 0.201 nan 8.230 nan 0.000 0.435 285 Y N 0.190 120.404 120.300 -0.145 0.000 2.097 285 Y HA -0.317 4.233 4.550 -0.000 0.000 0.282 285 Y C 2.423 178.181 175.900 -0.237 0.000 1.152 285 Y CA 2.249 60.209 58.100 -0.234 0.000 1.136 285 Y CB -0.623 37.620 38.460 -0.362 0.000 0.975 285 Y HN 0.201 nan 8.280 nan 0.000 0.498 286 Y N -1.632 118.731 120.300 0.106 0.000 2.439 286 Y HA -0.175 4.375 4.550 -0.000 0.000 0.292 286 Y C 2.240 177.906 175.900 -0.389 0.000 1.130 286 Y CA 1.035 59.138 58.100 0.005 0.000 1.254 286 Y CB -1.189 37.417 38.460 0.242 0.000 1.000 286 Y HN 0.349 nan 8.280 nan 0.000 0.554 287 Y N 0.979 120.845 120.300 -0.723 0.000 2.200 287 Y HA -0.215 4.335 4.550 0.000 0.000 0.290 287 Y C 1.734 177.265 175.900 -0.614 0.000 1.137 287 Y CA 1.652 58.911 58.100 -1.401 0.000 1.163 287 Y CB -0.814 37.011 38.460 -1.059 0.000 0.988 287 Y HN 0.150 nan 8.280 nan 0.000 0.518 288 N N -0.462 117.952 118.700 -0.476 0.000 2.188 288 N HA -0.156 4.584 4.740 -0.000 0.000 0.184 288 N C 1.701 177.000 175.510 -0.352 0.000 1.018 288 N CA 0.830 53.619 53.050 -0.435 0.000 0.858 288 N CB -0.014 38.286 38.487 -0.312 0.000 0.989 288 N HN 0.163 nan 8.380 nan 0.000 0.426 289 K N 0.538 120.774 120.400 -0.275 0.000 2.097 289 K HA -0.069 4.251 4.320 -0.000 0.000 0.205 289 K C 1.520 178.106 176.600 -0.023 0.000 1.050 289 K CA 0.889 57.101 56.287 -0.124 0.000 0.938 289 K CB -0.373 32.146 32.500 0.032 0.000 0.718 289 K HN 0.174 nan 8.250 nan 0.000 0.442 290 F N 1.867 121.634 119.950 -0.305 0.000 2.234 290 F HA -0.089 4.438 4.527 0.000 0.000 0.299 290 F C 2.139 177.693 175.800 -0.409 0.000 1.087 290 F CA 1.048 58.841 58.000 -0.346 0.000 1.340 290 F CB -0.268 38.623 39.000 -0.183 0.000 1.031 290 F HN -0.008 nan 8.300 nan 0.000 0.500 291 K N -0.147 120.083 120.400 -0.283 0.000 2.097 291 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 291 K C 1.629 178.094 176.600 -0.225 0.000 1.050 291 K CA 1.425 57.531 56.287 -0.302 0.000 0.938 291 K CB -0.247 32.001 32.500 -0.420 0.000 0.718 291 K HN 0.130 nan 8.250 nan 0.000 0.442 292 D N 1.038 121.307 120.400 -0.219 0.000 2.178 292 D HA -0.126 4.514 4.640 -0.000 0.000 0.201 292 D C 1.848 178.026 176.300 -0.203 0.000 0.980 292 D CA 1.006 54.904 54.000 -0.170 0.000 0.842 292 D CB -0.083 40.631 40.800 -0.143 0.000 0.948 292 D HN 0.208 nan 8.370 nan 0.000 0.472 293 I N 1.101 121.463 120.570 -0.346 0.000 2.252 293 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 293 I C 2.490 178.377 176.117 -0.384 0.000 1.102 293 I CA 0.763 61.706 61.300 -0.594 0.000 1.385 293 I CB -0.136 37.211 38.000 -1.089 0.000 1.064 293 I HN -0.090 nan 8.210 nan 0.000 0.414 294 A N -0.214 122.447 122.820 -0.266 0.000 1.933 294 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 294 A C 2.484 180.080 177.584 0.021 0.000 1.175 294 A CA 2.241 54.240 52.037 -0.064 0.000 0.628 294 A CB -0.779 18.203 19.000 -0.029 0.000 0.814 294 A HN 0.405 nan 8.150 nan 0.000 0.444 295 S N -1.015 114.659 115.700 -0.043 0.000 2.356 295 S HA -0.143 4.327 4.470 -0.000 0.000 0.223 295 S C 2.074 176.683 174.600 0.015 0.000 1.032 295 S CA 2.201 60.392 58.200 -0.014 0.000 1.005 295 S CB -0.637 62.538 63.200 -0.042 0.000 0.867 295 S HN 0.603 nan 8.310 nan 0.000 0.449 296 T N 2.807 117.361 114.554 0.001 0.000 2.720 296 T HA 0.001 4.351 4.350 -0.000 0.000 0.268 296 T C 1.723 176.495 174.700 0.120 0.000 1.037 296 T CA 1.480 63.619 62.100 0.064 0.000 1.144 296 T CB -0.397 68.522 68.868 0.086 0.000 0.864 296 T HN 0.320 nan 8.240 nan 0.000 0.444 297 L N 0.804 122.115 121.223 0.147 0.000 2.056 297 L HA -0.093 4.247 4.340 -0.000 0.000 0.207 297 L C 2.387 179.357 176.870 0.167 0.000 1.078 297 L CA 1.351 56.336 54.840 0.241 0.000 0.749 297 L CB -0.649 41.651 42.059 0.403 0.000 0.901 297 L HN 0.356 nan 8.230 nan 0.000 0.433 298 N N -0.254 118.516 118.700 0.116 0.000 2.223 298 N HA -0.172 4.567 4.740 -0.000 0.000 0.185 298 N C 1.546 177.064 175.510 0.014 0.000 1.016 298 N CA 0.855 53.916 53.050 0.019 0.000 0.863 298 N CB 0.068 38.561 38.487 0.010 0.000 0.983 298 N HN 0.287 nan 8.380 nan 0.000 0.429 299 K N 0.640 121.063 120.400 0.037 0.000 2.418 299 K HA 0.151 4.471 4.320 -0.000 0.000 0.195 299 K C 0.178 176.804 176.600 0.043 0.000 1.035 299 K CA -0.175 56.132 56.287 0.033 0.000 1.003 299 K CB 0.337 32.859 32.500 0.036 0.000 0.793 299 K HN 0.107 nan 8.250 nan 0.000 0.494 300 A N 1.880 124.736 122.820 0.061 0.000 2.524 300 A HA 0.018 4.338 4.320 -0.000 0.000 0.250 300 A C 0.685 178.297 177.584 0.046 0.000 1.078 300 A CA 0.348 52.425 52.037 0.066 0.000 0.761 300 A CB 0.307 19.362 19.000 0.092 0.000 1.012 300 A HN 0.049 nan 8.150 nan 0.000 0.500 301 K N 0.745 121.171 120.400 0.044 0.000 2.464 301 K HA 0.151 4.471 4.320 -0.000 0.000 0.206 301 K C 0.334 176.958 176.600 0.040 0.000 1.186 301 K CA 0.988 57.295 56.287 0.034 0.000 0.990 301 K CB 0.404 32.920 32.500 0.027 0.000 1.003 301 K HN 0.858 nan 8.250 nan 0.000 0.562 302 S N -0.273 115.459 115.700 0.053 0.000 2.651 302 S HA 0.734 5.204 4.470 -0.000 0.000 0.279 302 S C -0.871 173.780 174.600 0.085 0.000 1.148 302 S CA -0.833 57.403 58.200 0.060 0.000 0.837 302 S CB 2.111 65.342 63.200 0.053 0.000 1.138 302 S HN 0.093 nan 8.310 nan 0.000 0.478 303 I N 0.878 121.508 120.570 0.100 0.000 2.827 303 I HA 0.633 4.803 4.170 -0.000 0.000 0.298 303 I C -1.737 174.476 176.117 0.161 0.000 1.235 303 I CA -1.016 60.379 61.300 0.158 0.000 1.021 303 I CB 2.075 40.171 38.000 0.161 0.000 1.259 303 I HN 0.671 nan 8.210 nan 0.000 0.427 304 V N 5.802 125.837 119.914 0.202 0.000 2.532 304 V HA 0.978 5.098 4.120 -0.000 0.000 0.295 304 V C 0.436 176.634 176.094 0.173 0.000 1.041 304 V CA 0.400 62.776 62.300 0.127 0.000 0.926 304 V CB 0.837 32.686 31.823 0.043 0.000 0.992 304 V HN 1.116 nan 8.190 nan 0.000 0.457 305 G N 3.137 112.003 108.800 0.111 0.000 2.392 305 G HA2 0.120 4.080 3.960 -0.000 0.000 0.677 305 G HA3 0.120 4.080 3.960 -0.000 0.000 0.677 305 G C 0.105 175.068 174.900 0.106 0.000 1.334 305 G CA 0.066 45.239 45.100 0.122 0.000 0.961 305 G HN 1.079 nan 8.290 nan 0.000 0.616 306 T N -3.805 110.800 114.554 0.085 0.000 2.969 306 T HA 0.210 4.560 4.350 -0.000 0.000 0.250 306 T C 2.251 176.977 174.700 0.044 0.000 1.021 306 T CA 1.994 64.127 62.100 0.055 0.000 1.003 306 T CB 0.064 68.952 68.868 0.034 0.000 1.040 306 T HN 1.522 nan 8.240 nan 0.000 0.492 307 T N 0.628 115.215 114.554 0.056 0.000 2.939 307 T HA 0.519 4.869 4.350 -0.000 0.000 0.254 307 T C 1.014 175.694 174.700 -0.032 0.000 1.041 307 T CA 0.296 62.402 62.100 0.010 0.000 1.142 307 T CB -0.411 68.464 68.868 0.012 0.000 0.874 307 T HN 0.545 nan 8.240 nan 0.000 0.452 308 A N 2.288 125.123 122.820 0.025 0.000 2.305 308 A HA 0.697 5.016 4.320 -0.000 0.000 0.322 308 A C 0.558 178.162 177.584 0.033 0.000 1.187 308 A CA -0.649 51.377 52.037 -0.018 0.000 0.825 308 A CB 0.811 19.851 19.000 0.067 0.000 1.164 308 A HN 0.608 nan 8.150 nan 0.000 0.498 309 S N 1.764 117.483 115.700 0.032 0.000 2.632 309 S HA 0.304 4.774 4.470 -0.000 0.000 0.267 309 S C 0.985 175.618 174.600 0.055 0.000 1.276 309 S CA -0.278 57.952 58.200 0.050 0.000 0.998 309 S CB 0.617 63.846 63.200 0.048 0.000 0.953 309 S HN 1.076 nan 8.310 nan 0.000 0.547 310 L N 0.999 122.249 121.223 0.044 0.000 2.083 310 L HA -0.069 4.271 4.340 -0.000 0.000 0.209 310 L C 2.762 179.653 176.870 0.036 0.000 1.083 310 L CA 2.034 56.893 54.840 0.032 0.000 0.752 310 L CB -1.250 40.836 42.059 0.045 0.000 0.899 310 L HN 1.005 nan 8.230 nan 0.000 0.433 311 Q N -1.720 118.112 119.800 0.053 0.000 2.096 311 Q HA -0.307 4.033 4.340 -0.000 0.000 0.204 311 Q C 2.313 178.347 176.000 0.056 0.000 0.982 311 Q CA 2.226 58.066 55.803 0.060 0.000 0.850 311 Q CB -0.503 28.271 28.738 0.060 0.000 0.901 311 Q HN 0.638 nan 8.270 nan 0.000 0.422 312 Y N 0.352 120.617 120.300 -0.059 0.000 2.128 312 Y HA -0.248 4.302 4.550 -0.000 0.000 0.284 312 Y C 2.055 177.843 175.900 -0.187 0.000 1.154 312 Y CA 1.818 59.856 58.100 -0.104 0.000 1.149 312 Y CB -0.091 38.301 38.460 -0.112 0.000 0.976 312 Y HN 0.183 nan 8.280 nan 0.000 0.505 313 M N 0.289 119.727 119.600 -0.270 0.000 2.254 313 M HA -0.147 4.333 4.480 -0.000 0.000 0.265 313 M C 1.919 178.031 176.300 -0.313 0.000 1.066 313 M CA 1.504 56.492 55.300 -0.519 0.000 1.123 313 M CB -0.941 31.302 32.600 -0.595 0.000 1.388 313 M HN 0.233 nan 8.290 nan 0.000 0.425 314 K N -0.105 120.268 120.400 -0.044 0.000 2.097 314 K HA -0.134 4.185 4.320 -0.000 0.000 0.206 314 K C 1.879 178.525 176.600 0.076 0.000 1.049 314 K CA 1.196 57.600 56.287 0.195 0.000 0.933 314 K CB -0.270 32.431 32.500 0.336 0.000 0.717 314 K HN 0.452 nan 8.250 nan 0.000 0.442 315 N N 0.703 119.361 118.700 -0.070 0.000 2.142 315 N HA -0.139 4.601 4.740 -0.000 0.000 0.186 315 N C 1.758 177.082 175.510 -0.310 0.000 1.023 315 N CA 0.793 53.764 53.050 -0.132 0.000 0.852 315 N CB 0.188 38.583 38.487 -0.154 0.000 0.998 315 N HN -0.077 nan 8.380 nan 0.000 0.424 316 V N 0.875 120.450 119.914 -0.566 0.000 2.282 316 V HA -0.239 3.881 4.120 -0.000 0.000 0.249 316 V C 1.759 177.499 176.094 -0.591 0.000 1.057 316 V CA 1.726 63.599 62.300 -0.712 0.000 1.032 316 V CB -0.714 30.454 31.823 -1.092 0.000 0.645 316 V HN 0.276 nan 8.190 nan 0.000 0.447 317 F N 0.168 120.013 119.950 -0.175 0.000 2.456 317 F HA 0.024 4.551 4.527 -0.000 0.000 0.298 317 F C 2.248 177.973 175.800 -0.126 0.000 1.104 317 F CA 1.171 59.131 58.000 -0.067 0.000 1.435 317 F CB -0.598 38.484 39.000 0.136 0.000 1.078 317 F HN 0.090 nan 8.300 nan 0.000 0.546 318 K N 0.609 120.902 120.400 -0.177 0.000 2.057 318 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 318 K C 1.927 178.455 176.600 -0.119 0.000 1.049 318 K CA 1.519 57.601 56.287 -0.342 0.000 0.931 318 K CB -0.042 32.216 32.500 -0.402 0.000 0.714 318 K HN 0.091 nan 8.250 nan 0.000 0.440 319 E N 1.000 121.133 120.200 -0.111 0.000 2.072 319 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 319 E C 1.962 178.542 176.600 -0.034 0.000 0.985 319 E CA 1.017 57.379 56.400 -0.064 0.000 0.801 319 E CB -0.057 29.586 29.700 -0.095 0.000 0.750 319 E HN 0.364 nan 8.360 nan 0.000 0.452 320 K N 0.226 120.567 120.400 -0.098 0.000 1.991 320 K HA -0.167 4.153 4.320 -0.000 0.000 0.212 320 K C 1.661 178.207 176.600 -0.089 0.000 1.049 320 K CA 1.421 57.609 56.287 -0.164 0.000 0.932 320 K CB -0.183 32.053 32.500 -0.439 0.000 0.717 320 K HN 0.085 nan 8.250 nan 0.000 0.441 321 Y N 0.818 121.174 120.300 0.094 0.000 2.490 321 Y HA 0.249 4.799 4.550 -0.000 0.000 0.281 321 Y C 0.039 176.055 175.900 0.194 0.000 1.174 321 Y CA 0.134 58.296 58.100 0.104 0.000 1.295 321 Y CB -0.006 38.329 38.460 -0.207 0.000 1.062 321 Y HN 0.051 nan 8.280 nan 0.000 0.522 322 L N 0.224 121.577 121.223 0.217 0.000 3.601 322 L HA -0.278 4.062 4.340 -0.000 0.000 0.469 322 L C -0.736 176.236 176.870 0.170 0.000 1.294 322 L CA 0.050 54.994 54.840 0.173 0.000 0.829 322 L CB -2.033 40.148 42.059 0.203 0.000 1.628 322 L HN 0.193 nan 8.230 nan 0.000 0.868 323 L N -0.564 120.705 121.223 0.077 0.000 2.418 323 L HA 0.410 4.750 4.340 -0.000 0.000 0.265 323 L C 0.981 177.897 176.870 0.078 0.000 1.143 323 L CA -0.046 54.817 54.840 0.039 0.000 0.809 323 L CB 1.433 43.379 42.059 -0.189 0.000 1.124 323 L HN 0.136 nan 8.230 nan 0.000 0.456 324 S N 0.832 116.621 115.700 0.149 0.000 2.508 324 S HA 0.284 4.754 4.470 -0.000 0.000 0.284 324 S C -0.446 174.320 174.600 0.278 0.000 1.192 324 S CA -0.593 57.712 58.200 0.175 0.000 1.070 324 S CB 1.383 64.669 63.200 0.144 0.000 1.004 324 S HN 0.548 nan 8.310 nan 0.000 0.493 325 E N 2.405 122.764 120.200 0.264 0.000 2.165 325 E HA 0.309 4.659 4.350 -0.000 0.000 0.266 325 E C -1.133 175.536 176.600 0.116 0.000 0.889 325 E CA -0.807 55.752 56.400 0.264 0.000 0.756 325 E CB 0.782 30.688 29.700 0.343 0.000 1.131 325 E HN 0.667 nan 8.360 nan 0.000 0.411 326 D N 2.146 122.582 120.400 0.059 0.000 2.423 326 D HA 0.025 4.665 4.640 -0.000 0.000 0.255 326 D C 1.330 177.634 176.300 0.007 0.000 1.174 326 D CA 0.071 54.090 54.000 0.031 0.000 1.008 326 D CB 0.750 41.562 40.800 0.020 0.000 1.101 326 D HN 0.469 nan 8.370 nan 0.000 0.516 327 T N -2.191 112.367 114.554 0.007 0.000 2.685 327 T HA -0.242 4.108 4.350 -0.000 0.000 0.268 327 T C 1.770 176.459 174.700 -0.019 0.000 1.034 327 T CA 1.656 63.756 62.100 -0.001 0.000 1.149 327 T CB -0.951 67.918 68.868 0.002 0.000 0.860 327 T HN 0.300 nan 8.240 nan 0.000 0.449 328 S N 0.553 116.236 115.700 -0.029 0.000 2.555 328 S HA 0.346 4.816 4.470 -0.000 0.000 0.230 328 S C 1.807 176.356 174.600 -0.085 0.000 0.978 328 S CA 0.655 58.827 58.200 -0.047 0.000 0.934 328 S CB -0.560 62.615 63.200 -0.043 0.000 0.766 328 S HN 1.131 nan 8.310 nan 0.000 0.533 329 G N 1.504 110.240 108.800 -0.107 0.000 2.157 329 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.239 329 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.239 329 G C 0.039 174.700 174.900 -0.397 0.000 0.982 329 G CA 0.114 45.089 45.100 -0.209 0.000 0.650 329 G HN 0.492 nan 8.290 nan 0.000 0.527 330 K N 0.204 120.454 120.400 -0.250 0.000 2.298 330 K HA 0.560 4.879 4.320 -0.000 0.000 0.280 330 K C -0.234 176.268 176.600 -0.164 0.000 1.032 330 K CA -0.572 55.568 56.287 -0.244 0.000 0.958 330 K CB 0.121 32.564 32.500 -0.095 0.000 0.978 330 K HN -0.049 nan 8.250 nan 0.000 0.472 331 F N 1.253 121.213 119.950 0.017 0.000 2.377 331 F HA 0.324 4.851 4.527 -0.000 0.000 0.328 331 F C 0.662 176.469 175.800 0.011 0.000 1.094 331 F CA -0.493 57.520 58.000 0.022 0.000 1.093 331 F CB 1.688 40.702 39.000 0.024 0.000 1.214 331 F HN 0.575 nan 8.300 nan 0.000 0.518 332 S N -0.151 115.699 115.700 0.250 0.000 2.570 332 S HA 0.770 5.240 4.470 -0.000 0.000 0.270 332 S C -1.647 173.026 174.600 0.122 0.000 1.149 332 S CA -0.953 57.325 58.200 0.131 0.000 0.837 332 S CB 1.467 64.731 63.200 0.106 0.000 1.124 332 S HN 0.304 nan 8.310 nan 0.000 0.465 333 V N 2.357 122.320 119.914 0.083 0.000 2.350 333 V HA 0.400 4.520 4.120 -0.000 0.000 0.276 333 V C -0.221 176.019 176.094 0.242 0.000 1.028 333 V CA -0.548 61.840 62.300 0.146 0.000 0.860 333 V CB 1.184 33.022 31.823 0.026 0.000 0.990 333 V HN 0.978 nan 8.190 nan 0.000 0.453 334 D N 4.366 124.920 120.400 0.255 0.000 2.325 334 D HA 0.142 4.782 4.640 -0.000 0.000 0.251 334 D C 1.073 177.537 176.300 0.274 0.000 1.196 334 D CA -0.157 53.979 54.000 0.226 0.000 0.866 334 D CB 1.228 42.129 40.800 0.168 0.000 1.101 334 D HN 0.471 nan 8.370 nan 0.000 0.476 335 K N 2.589 123.102 120.400 0.189 0.000 2.059 335 K HA -0.202 4.118 4.320 -0.000 0.000 0.212 335 K C 1.877 178.514 176.600 0.063 0.000 1.050 335 K CA 1.280 57.564 56.287 -0.005 0.000 0.927 335 K CB 0.058 32.452 32.500 -0.176 0.000 0.714 335 K HN 0.380 nan 8.250 nan 0.000 0.447 336 L N 1.361 122.623 121.223 0.065 0.000 2.046 336 L HA -0.182 4.157 4.340 -0.000 0.000 0.208 336 L C 2.191 179.110 176.870 0.082 0.000 1.077 336 L CA 1.620 56.492 54.840 0.053 0.000 0.747 336 L CB -0.494 41.590 42.059 0.041 0.000 0.896 336 L HN 0.009 nan 8.230 nan 0.000 0.432 337 K N -0.687 119.791 120.400 0.130 0.000 2.002 337 K HA -0.187 4.133 4.320 -0.000 0.000 0.209 337 K C 2.255 178.959 176.600 0.174 0.000 1.048 337 K CA 1.619 57.993 56.287 0.144 0.000 0.930 337 K CB -0.785 31.826 32.500 0.184 0.000 0.714 337 K HN 0.190 nan 8.250 nan 0.000 0.438 338 F N 3.108 123.135 119.950 0.128 0.000 2.069 338 F HA -0.240 4.287 4.527 -0.000 0.000 0.298 338 F C 1.710 177.543 175.800 0.056 0.000 1.113 338 F CA 1.764 59.839 58.000 0.125 0.000 1.214 338 F CB -0.308 38.797 39.000 0.175 0.000 0.978 338 F HN 0.046 nan 8.300 nan 0.000 0.474 339 D N 0.434 120.834 120.400 0.001 0.000 2.133 339 D HA -0.187 4.453 4.640 -0.000 0.000 0.195 339 D C 2.223 178.454 176.300 -0.116 0.000 0.997 339 D CA 1.496 55.444 54.000 -0.086 0.000 0.840 339 D CB -0.293 40.508 40.800 0.002 0.000 0.947 339 D HN 0.376 nan 8.370 nan 0.000 0.452 340 K N -0.207 120.145 120.400 -0.080 0.000 2.025 340 K HA -0.103 4.217 4.320 -0.000 0.000 0.207 340 K C 2.028 178.535 176.600 -0.154 0.000 1.049 340 K CA 0.398 56.630 56.287 -0.093 0.000 0.933 340 K CB -0.243 32.227 32.500 -0.049 0.000 0.714 340 K HN 0.048 nan 8.250 nan 0.000 0.438 341 L N 0.533 121.664 121.223 -0.153 0.000 2.017 341 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 341 L C 2.179 178.873 176.870 -0.294 0.000 1.073 341 L CA 1.728 56.454 54.840 -0.190 0.000 0.745 341 L CB -0.834 41.184 42.059 -0.069 0.000 0.894 341 L HN 0.153 nan 8.230 nan 0.000 0.432 342 Y N 0.613 120.583 120.300 -0.551 0.000 2.165 342 Y HA -0.319 4.231 4.550 -0.000 0.000 0.286 342 Y C 2.769 178.459 175.900 -0.350 0.000 1.155 342 Y CA 2.546 60.312 58.100 -0.556 0.000 1.164 342 Y CB -0.221 37.733 38.460 -0.843 0.000 0.978 342 Y HN 0.312 nan 8.280 nan 0.000 0.513 343 K N -0.627 119.634 120.400 -0.232 0.000 2.097 343 K HA -0.245 4.075 4.320 -0.000 0.000 0.205 343 K C 2.149 178.542 176.600 -0.345 0.000 1.050 343 K CA 1.596 57.743 56.287 -0.234 0.000 0.938 343 K CB -0.269 32.150 32.500 -0.136 0.000 0.718 343 K HN 0.324 nan 8.250 nan 0.000 0.442 344 M N 1.163 120.520 119.600 -0.406 0.000 2.065 344 M HA -0.121 4.359 4.480 -0.000 0.000 0.259 344 M C 1.681 177.464 176.300 -0.861 0.000 1.069 344 M CA 1.656 56.573 55.300 -0.637 0.000 1.110 344 M CB -0.232 32.011 32.600 -0.594 0.000 1.328 344 M HN 0.206 nan 8.290 nan 0.000 0.405 345 L N -1.112 119.760 121.223 -0.585 0.000 2.141 345 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 345 L C 2.191 178.977 176.870 -0.139 0.000 1.094 345 L CA 1.669 56.337 54.840 -0.287 0.000 0.763 345 L CB -1.045 40.873 42.059 -0.236 0.000 0.908 345 L HN 0.563 nan 8.230 nan 0.000 0.437 346 T N -5.334 108.994 114.554 -0.377 0.000 3.000 346 T HA 0.090 4.440 4.350 -0.000 0.000 0.248 346 T C 1.513 176.102 174.700 -0.184 0.000 1.034 346 T CA 0.044 61.938 62.100 -0.343 0.000 1.060 346 T CB 0.334 68.802 68.868 -0.666 0.000 0.983 346 T HN 0.244 nan 8.240 nan 0.000 0.482 347 E N 0.191 120.264 120.200 -0.211 0.000 2.332 347 E HA 0.246 4.596 4.350 -0.000 0.000 0.202 347 E C 1.739 178.252 176.600 -0.145 0.000 0.877 347 E CA -0.050 56.268 56.400 -0.137 0.000 0.979 347 E CB 0.417 30.045 29.700 -0.120 0.000 0.969 347 E HN 0.269 nan 8.360 nan 0.000 0.495 348 I N 0.693 121.119 120.570 -0.239 0.000 2.277 348 I HA -0.115 4.055 4.170 -0.000 0.000 0.243 348 I C 0.592 176.612 176.117 -0.162 0.000 1.094 348 I CA 1.000 62.150 61.300 -0.251 0.000 1.393 348 I CB -0.668 37.097 38.000 -0.392 0.000 1.078 348 I HN 0.032 nan 8.210 nan 0.000 0.417 349 Y N 3.389 123.584 120.300 -0.175 0.000 2.613 349 Y HA 0.324 4.874 4.550 -0.000 0.000 0.354 349 Y C 0.998 176.858 175.900 -0.067 0.000 1.063 349 Y CA -1.155 56.858 58.100 -0.145 0.000 1.384 349 Y CB -0.783 37.636 38.460 -0.069 0.000 1.199 349 Y HN 0.126 nan 8.280 nan 0.000 0.517 350 T N -2.153 112.443 114.554 0.070 0.000 2.883 350 T HA 0.298 4.648 4.350 -0.000 0.000 0.301 350 T C 0.815 175.571 174.700 0.093 0.000 1.158 350 T CA -0.949 61.171 62.100 0.034 0.000 1.007 350 T CB 2.196 71.042 68.868 -0.037 0.000 1.186 350 T HN 0.487 nan 8.240 nan 0.000 0.499 351 E N 0.450 120.644 120.200 -0.010 0.000 2.051 351 E HA -0.229 4.120 4.350 -0.000 0.000 0.192 351 E C 1.327 177.848 176.600 -0.132 0.000 0.991 351 E CA 1.828 58.218 56.400 -0.017 0.000 0.799 351 E CB -0.178 29.448 29.700 -0.124 0.000 0.748 351 E HN 0.805 nan 8.360 nan 0.000 0.449 352 D N 0.031 120.212 120.400 -0.365 0.000 2.123 352 D HA -0.173 4.466 4.640 -0.000 0.000 0.196 352 D C 1.717 177.952 176.300 -0.109 0.000 0.992 352 D CA 1.314 55.134 54.000 -0.300 0.000 0.833 352 D CB -0.094 40.529 40.800 -0.295 0.000 0.954 352 D HN 0.127 nan 8.370 nan 0.000 0.455 353 N N -0.816 117.831 118.700 -0.089 0.000 2.331 353 N HA -0.101 4.638 4.740 -0.000 0.000 0.180 353 N C 1.457 176.938 175.510 -0.048 0.000 1.019 353 N CA 0.457 53.467 53.050 -0.067 0.000 0.881 353 N CB -0.302 38.102 38.487 -0.140 0.000 0.972 353 N HN 0.263 nan 8.380 nan 0.000 0.435 354 F N 0.737 120.648 119.950 -0.064 0.000 2.206 354 F HA -0.044 4.483 4.527 -0.000 0.000 0.298 354 F C 2.299 178.089 175.800 -0.017 0.000 1.090 354 F CA 0.449 58.356 58.000 -0.156 0.000 1.323 354 F CB -0.493 38.432 39.000 -0.125 0.000 1.028 354 F HN -0.192 nan 8.300 nan 0.000 0.492 355 V N 0.134 120.191 119.914 0.238 0.000 2.392 355 V HA -0.318 3.802 4.120 -0.000 0.000 0.249 355 V C 2.195 178.386 176.094 0.162 0.000 1.059 355 V CA 1.845 64.276 62.300 0.217 0.000 1.051 355 V CB -0.592 31.270 31.823 0.064 0.000 0.658 355 V HN 0.291 nan 8.190 nan 0.000 0.455 356 K N -0.972 119.480 120.400 0.088 0.000 2.097 356 K HA -0.095 4.225 4.320 -0.000 0.000 0.205 356 K C 2.019 178.594 176.600 -0.042 0.000 1.050 356 K CA 1.404 57.698 56.287 0.013 0.000 0.938 356 K CB -0.243 32.229 32.500 -0.047 0.000 0.718 356 K HN 0.377 nan 8.250 nan 0.000 0.442 357 F N -0.398 119.468 119.950 -0.141 0.000 2.293 357 F HA -0.039 4.488 4.527 -0.000 0.000 0.297 357 F C 1.629 177.379 175.800 -0.083 0.000 1.089 357 F CA 0.912 58.794 58.000 -0.196 0.000 1.377 357 F CB -0.022 38.736 39.000 -0.404 0.000 1.051 357 F HN -0.090 nan 8.300 nan 0.000 0.511 358 F N 0.300 120.400 119.950 0.249 0.000 2.710 358 F HA 0.059 4.586 4.527 -0.000 0.000 0.298 358 F C 0.899 176.789 175.800 0.150 0.000 1.137 358 F CA 0.042 58.152 58.000 0.183 0.000 1.444 358 F CB -0.855 38.247 39.000 0.170 0.000 1.111 358 F HN -0.212 nan 8.300 nan 0.000 0.580 359 K N -0.400 120.178 120.400 0.297 0.000 3.071 359 K HA -0.155 4.165 4.320 -0.000 0.000 0.265 359 K C -0.367 176.457 176.600 0.373 0.000 1.060 359 K CA 0.749 57.194 56.287 0.264 0.000 0.767 359 K CB -2.272 30.352 32.500 0.206 0.000 1.241 359 K HN 0.243 nan 8.250 nan 0.000 0.486 360 V N -3.200 116.881 119.914 0.279 0.000 3.177 360 V HA 0.714 4.834 4.120 -0.000 0.000 0.319 360 V C 0.172 176.094 176.094 -0.287 0.000 1.125 360 V CA -1.413 60.973 62.300 0.143 0.000 1.029 360 V CB 1.718 33.638 31.823 0.161 0.000 1.119 360 V HN 0.116 nan 8.190 nan 0.000 0.452 361 L N 2.555 123.378 121.223 -0.667 0.000 2.312 361 L HA 0.692 5.032 4.340 -0.000 0.000 0.281 361 L C -0.351 176.410 176.870 -0.181 0.000 1.070 361 L CA 0.594 54.986 54.840 -0.745 0.000 0.805 361 L CB 0.846 42.272 42.059 -1.056 0.000 1.174 361 L HN 1.082 nan 8.230 nan 0.000 0.434 362 N N 0.876 119.454 118.700 -0.203 0.000 2.732 362 N HA 0.478 5.218 4.740 -0.000 0.000 0.259 362 N C -1.491 173.702 175.510 -0.528 0.000 1.402 362 N CA -0.891 51.928 53.050 -0.385 0.000 0.829 362 N CB 1.490 39.870 38.487 -0.178 0.000 1.495 362 N HN 0.560 nan 8.380 nan 0.000 0.511 363 R N 1.135 121.185 120.500 -0.751 0.000 2.585 363 R HA 0.181 4.521 4.340 -0.000 0.000 0.275 363 R C 0.036 176.339 176.300 0.004 0.000 1.018 363 R CA -0.160 55.692 56.100 -0.414 0.000 1.072 363 R CB 0.371 30.459 30.300 -0.353 0.000 0.953 363 R HN 0.420 nan 8.270 nan 0.000 0.419 364 K N 1.264 121.684 120.400 0.032 0.000 2.365 364 K HA 0.067 4.387 4.320 -0.000 0.000 0.197 364 K C -0.052 176.666 176.600 0.196 0.000 1.042 364 K CA 0.664 57.039 56.287 0.147 0.000 0.987 364 K CB 0.394 32.948 32.500 0.090 0.000 0.779 364 K HN 0.684 nan 8.250 nan 0.000 0.484 365 T N -0.802 113.697 114.554 -0.091 0.000 2.916 365 T HA 0.147 4.497 4.350 -0.000 0.000 0.305 365 T C -0.004 174.137 174.700 -0.931 0.000 1.119 365 T CA -0.668 61.132 62.100 -0.500 0.000 1.008 365 T CB 1.453 70.124 68.868 -0.328 0.000 1.129 365 T HN 0.030 nan 8.240 nan 0.000 0.480 366 Y N 1.878 121.248 120.300 -1.549 0.000 2.333 366 Y HA -0.022 4.528 4.550 -0.000 0.000 0.290 366 Y C 1.813 177.376 175.900 -0.563 0.000 1.144 366 Y CA 1.437 58.924 58.100 -1.021 0.000 1.228 366 Y CB -0.418 37.627 38.460 -0.692 0.000 0.985 366 Y HN 0.606 nan 8.280 nan 0.000 0.542 367 L N 0.265 121.218 121.223 -0.450 0.000 2.191 367 L HA -0.216 4.123 4.340 -0.000 0.000 0.212 367 L C 1.101 177.476 176.870 -0.825 0.000 1.103 367 L CA 0.624 55.163 54.840 -0.503 0.000 0.769 367 L CB -0.775 41.037 42.059 -0.413 0.000 0.908 367 L HN 0.200 nan 8.230 nan 0.000 0.438 368 N N 1.272 119.590 118.700 -0.637 0.000 2.417 368 N HA -0.100 4.640 4.740 -0.000 0.000 0.272 368 N C -0.650 174.563 175.510 -0.494 0.000 1.304 368 N CA 0.154 52.881 53.050 -0.539 0.000 0.906 368 N CB 0.266 38.580 38.487 -0.290 0.000 1.135 368 N HN -0.135 nan 8.380 nan 0.000 0.483 369 F N 1.927 121.810 119.950 -0.112 0.000 2.484 369 F HA 0.126 4.653 4.527 -0.000 0.000 0.360 369 F C 1.284 177.044 175.800 -0.065 0.000 1.101 369 F CA -0.320 57.612 58.000 -0.112 0.000 1.251 369 F CB 0.301 39.258 39.000 -0.072 0.000 1.132 369 F HN 0.255 nan 8.300 nan 0.000 0.570 370 D N 3.451 123.899 120.400 0.079 0.000 2.348 370 D HA 0.062 4.702 4.640 -0.000 0.000 0.253 370 D C 0.831 177.198 176.300 0.111 0.000 1.161 370 D CA -0.112 53.935 54.000 0.079 0.000 0.876 370 D CB 1.420 42.201 40.800 -0.032 0.000 1.160 370 D HN 0.434 nan 8.370 nan 0.000 0.459 371 K N 0.847 121.325 120.400 0.130 0.000 2.128 371 K HA 0.182 4.502 4.320 -0.000 0.000 0.202 371 K C 0.654 177.247 176.600 -0.010 0.000 1.050 371 K CA 0.438 56.764 56.287 0.066 0.000 0.966 371 K CB 0.376 32.921 32.500 0.075 0.000 0.759 371 K HN 0.486 nan 8.250 nan 0.000 0.454 372 A N 0.182 122.975 122.820 -0.045 0.000 2.583 372 A HA 0.612 4.932 4.320 -0.000 0.000 0.289 372 A C -1.302 176.080 177.584 -0.336 0.000 1.151 372 A CA -0.666 51.213 52.037 -0.262 0.000 0.695 372 A CB 1.494 20.191 19.000 -0.505 0.000 1.290 372 A HN -0.139 nan 8.150 nan 0.000 0.419 373 V N 0.206 119.802 119.914 -0.530 0.000 2.555 373 V HA 0.698 4.818 4.120 -0.000 0.000 0.302 373 V C -1.250 174.446 176.094 -0.664 0.000 1.038 373 V CA -0.275 61.729 62.300 -0.494 0.000 0.887 373 V CB 1.042 32.592 31.823 -0.456 0.000 0.991 373 V HN 0.648 nan 8.190 nan 0.000 0.434 374 F N 2.237 122.114 119.950 -0.121 0.000 2.551 374 F HA 0.667 5.194 4.527 -0.000 0.000 0.316 374 F C 0.070 175.840 175.800 -0.050 0.000 1.089 374 F CA -1.010 56.964 58.000 -0.044 0.000 0.915 374 F CB 2.030 41.075 39.000 0.074 0.000 1.186 374 F HN 0.310 nan 8.300 nan 0.000 0.456 375 K N 3.936 124.388 120.400 0.088 0.000 2.205 375 K HA 0.715 5.035 4.320 -0.000 0.000 0.279 375 K C -0.904 175.617 176.600 -0.132 0.000 1.027 375 K CA -0.239 55.932 56.287 -0.194 0.000 0.932 375 K CB 0.478 32.860 32.500 -0.197 0.000 1.032 375 K HN 0.645 nan 8.250 nan 0.000 0.466 376 I N -0.617 119.808 120.570 -0.242 0.000 3.264 376 I HA 0.635 4.805 4.170 -0.000 0.000 0.315 376 I C -1.216 174.782 176.117 -0.199 0.000 1.154 376 I CA -1.155 60.041 61.300 -0.173 0.000 0.962 376 I CB 2.437 40.419 38.000 -0.029 0.000 1.265 376 I HN 0.484 nan 8.210 nan 0.000 0.463 377 N N 1.709 120.318 118.700 -0.152 0.000 2.621 377 N HA 0.390 5.130 4.740 -0.000 0.000 0.271 377 N C -0.614 174.808 175.510 -0.147 0.000 1.181 377 N CA -0.373 52.590 53.050 -0.146 0.000 0.805 377 N CB 1.277 39.697 38.487 -0.111 0.000 1.351 377 N HN 0.718 nan 8.380 nan 0.000 0.539 378 I N 2.318 122.740 120.570 -0.247 0.000 3.251 378 I HA 0.002 4.172 4.170 -0.000 0.000 0.277 378 I C 1.837 177.836 176.117 -0.198 0.000 1.268 378 I CA 0.478 61.545 61.300 -0.388 0.000 1.449 378 I CB 0.116 37.623 38.000 -0.822 0.000 1.083 378 I HN 0.392 nan 8.210 nan 0.000 0.464 379 V N 1.137 120.973 119.914 -0.130 0.000 2.261 379 V HA -0.125 3.995 4.120 -0.000 0.000 0.246 379 V C -1.270 174.810 176.094 -0.023 0.000 1.047 379 V CA 1.173 63.433 62.300 -0.065 0.000 1.015 379 V CB -1.724 30.067 31.823 -0.053 0.000 0.642 379 V HN 0.277 nan 8.190 nan 0.000 0.446 380 P HA 0.071 nan 4.420 nan 0.000 0.267 380 P C 0.447 177.760 177.300 0.022 0.000 1.205 380 P CA 0.379 63.480 63.100 0.002 0.000 0.765 380 P CB 0.313 32.011 31.700 -0.004 0.000 0.828 381 K N 1.947 122.364 120.400 0.028 0.000 2.280 381 K HA -0.090 4.230 4.320 -0.000 0.000 0.202 381 K C 1.464 178.086 176.600 0.037 0.000 1.047 381 K CA 1.301 57.611 56.287 0.039 0.000 0.942 381 K CB -0.380 32.142 32.500 0.036 0.000 0.739 381 K HN 0.389 nan 8.250 nan 0.000 0.457 382 V N -1.042 118.890 119.914 0.031 0.000 3.141 382 V HA -0.073 4.047 4.120 -0.000 0.000 0.265 382 V C 1.064 177.185 176.094 0.045 0.000 1.126 382 V CA 1.265 63.584 62.300 0.031 0.000 1.141 382 V CB -0.332 31.504 31.823 0.021 0.000 0.743 382 V HN 0.211 nan 8.190 nan 0.000 0.492 383 N N -1.165 117.568 118.700 0.056 0.000 2.463 383 N HA 0.200 4.940 4.740 -0.000 0.000 0.183 383 N C -0.330 175.274 175.510 0.156 0.000 1.064 383 N CA 0.546 53.652 53.050 0.093 0.000 0.879 383 N CB 0.758 39.278 38.487 0.055 0.000 1.148 383 N HN 0.687 nan 8.380 nan 0.000 0.451 384 Y N 0.427 120.668 120.300 -0.099 0.000 2.474 384 Y HA 0.324 4.874 4.550 -0.000 0.000 0.326 384 Y C -1.178 174.643 175.900 -0.133 0.000 1.160 384 Y CA -1.013 56.959 58.100 -0.213 0.000 1.056 384 Y CB 1.096 39.285 38.460 -0.451 0.000 1.330 384 Y HN -0.053 nan 8.280 nan 0.000 0.447 385 T N 2.623 117.013 114.554 -0.274 0.000 2.924 385 T HA 0.461 4.811 4.350 -0.000 0.000 0.291 385 T C 0.969 175.552 174.700 -0.195 0.000 1.045 385 T CA -0.742 61.291 62.100 -0.110 0.000 1.015 385 T CB 1.412 70.259 68.868 -0.034 0.000 1.103 385 T HN 0.651 nan 8.240 nan 0.000 0.496 386 I N -0.234 120.309 120.570 -0.045 0.000 2.264 386 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 386 I C 1.750 177.728 176.117 -0.233 0.000 1.111 386 I CA 1.754 62.989 61.300 -0.108 0.000 1.382 386 I CB -0.303 37.638 38.000 -0.098 0.000 1.060 386 I HN 0.692 nan 8.210 nan 0.000 0.418 387 Y N -0.187 120.104 120.300 -0.014 0.000 2.476 387 Y HA -0.057 4.493 4.550 -0.000 0.000 0.283 387 Y C 1.845 177.734 175.900 -0.018 0.000 1.109 387 Y CA 0.647 58.757 58.100 0.017 0.000 1.246 387 Y CB 0.229 38.705 38.460 0.026 0.000 1.068 387 Y HN 0.134 nan 8.280 nan 0.000 0.552 388 D N -1.537 118.874 120.400 0.018 0.000 2.441 388 D HA 0.208 4.848 4.640 -0.000 0.000 0.210 388 D C 1.537 177.704 176.300 -0.222 0.000 1.102 388 D CA 0.975 54.956 54.000 -0.031 0.000 0.840 388 D CB 0.579 41.385 40.800 0.010 0.000 0.990 388 D HN 0.335 nan 8.370 nan 0.000 0.505 389 G N 1.619 110.053 108.800 -0.611 0.000 2.556 389 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.283 389 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.283 389 G C 0.701 175.069 174.900 -0.886 0.000 1.177 389 G CA 0.256 44.545 45.100 -1.351 0.000 0.978 389 G HN 0.200 nan 8.290 nan 0.000 0.554 390 F N 2.037 121.855 119.950 -0.220 0.000 2.367 390 F HA 0.187 4.714 4.527 -0.000 0.000 0.298 390 F C 1.920 177.755 175.800 0.059 0.000 1.094 390 F CA 1.059 59.098 58.000 0.066 0.000 1.409 390 F CB -0.050 39.112 39.000 0.270 0.000 1.064 390 F HN 0.159 nan 8.300 nan 0.000 0.528 391 N N 2.279 121.116 118.700 0.228 0.000 3.178 391 N HA 0.112 4.852 4.740 -0.000 0.000 0.300 391 N C -0.485 175.079 175.510 0.090 0.000 1.242 391 N CA 0.107 53.263 53.050 0.177 0.000 1.192 391 N CB -0.292 38.322 38.487 0.212 0.000 1.463 391 N HN 0.187 nan 8.380 nan 0.000 0.539 392 L N 1.540 122.808 121.223 0.075 0.000 2.584 392 L HA -0.014 4.326 4.340 -0.000 0.000 0.272 392 L C 1.463 178.355 176.870 0.036 0.000 1.195 392 L CA -0.096 54.770 54.840 0.043 0.000 0.920 392 L CB -0.145 41.941 42.059 0.045 0.000 1.173 392 L HN 0.262 nan 8.230 nan 0.000 0.489 393 R N 3.722 124.238 120.500 0.028 0.000 2.784 393 R HA 0.074 4.414 4.340 -0.000 0.000 0.266 393 R C 0.266 176.574 176.300 0.012 0.000 1.044 393 R CA -0.445 55.666 56.100 0.017 0.000 1.151 393 R CB 0.116 30.423 30.300 0.012 0.000 1.037 393 R HN 0.730 nan 8.270 nan 0.000 0.478 394 N N -1.397 117.306 118.700 0.005 0.000 2.800 394 N HA -0.191 4.549 4.740 -0.000 0.000 0.250 394 N C -0.677 174.837 175.510 0.008 0.000 1.078 394 N CA 1.935 54.987 53.050 0.003 0.000 0.804 394 N CB -1.467 37.022 38.487 0.002 0.000 1.135 394 N HN 0.961 nan 8.380 nan 0.000 0.565 395 T N -3.388 111.173 114.554 0.013 0.000 2.865 395 T HA 0.429 4.779 4.350 -0.000 0.000 0.294 395 T C 1.182 175.892 174.700 0.018 0.000 1.119 395 T CA -0.274 61.837 62.100 0.017 0.000 1.007 395 T CB 1.367 70.251 68.868 0.027 0.000 1.225 395 T HN 0.001 nan 8.240 nan 0.000 0.515 396 N N 0.819 119.530 118.700 0.019 0.000 2.364 396 N HA -0.103 4.637 4.740 -0.000 0.000 0.183 396 N C 1.537 177.066 175.510 0.032 0.000 1.022 396 N CA 0.673 53.734 53.050 0.018 0.000 0.883 396 N CB -0.587 37.910 38.487 0.016 0.000 0.965 396 N HN 0.467 nan 8.380 nan 0.000 0.438 397 L N 0.698 121.950 121.223 0.049 0.000 2.275 397 L HA 0.098 4.438 4.340 -0.000 0.000 0.215 397 L C 2.255 179.172 176.870 0.080 0.000 1.119 397 L CA 0.944 55.834 54.840 0.083 0.000 0.790 397 L CB -1.678 40.447 42.059 0.109 0.000 0.919 397 L HN 0.249 nan 8.230 nan 0.000 0.443 398 A N -0.479 122.367 122.820 0.043 0.000 2.235 398 A HA 0.394 4.714 4.320 -0.000 0.000 0.208 398 A C 1.172 178.734 177.584 -0.037 0.000 1.172 398 A CA 0.583 52.632 52.037 0.019 0.000 0.786 398 A CB -0.400 18.607 19.000 0.011 0.000 0.804 398 A HN 0.271 nan 8.150 nan 0.000 0.479 399 A N -0.226 122.575 122.820 -0.032 0.000 2.330 399 A HA 0.541 4.861 4.320 -0.000 0.000 0.327 399 A C 0.372 177.903 177.584 -0.088 0.000 1.155 399 A CA -0.635 51.355 52.037 -0.077 0.000 0.803 399 A CB 0.278 19.254 19.000 -0.039 0.000 1.208 399 A HN 0.365 nan 8.150 nan 0.000 0.477 400 N N 0.831 119.409 118.700 -0.204 0.000 2.696 400 N HA -0.227 4.513 4.740 -0.000 0.000 0.249 400 N C -0.407 175.107 175.510 0.007 0.000 1.090 400 N CA 1.533 54.483 53.050 -0.166 0.000 0.716 400 N CB -1.556 36.939 38.487 0.014 0.000 1.020 400 N HN 1.043 nan 8.380 nan 0.000 0.548 401 F N -2.095 117.923 119.950 0.113 0.000 3.084 401 F HA -0.281 4.246 4.527 -0.000 0.000 0.286 401 F C 1.316 177.262 175.800 0.245 0.000 0.855 401 F CA 0.423 58.517 58.000 0.157 0.000 1.091 401 F CB -2.178 36.869 39.000 0.078 0.000 1.177 401 F HN 0.186 nan 8.300 nan 0.000 0.542 402 N N 0.605 119.467 118.700 0.270 0.000 2.205 402 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 402 N C 2.192 177.808 175.510 0.177 0.000 1.015 402 N CA 1.354 54.518 53.050 0.189 0.000 0.862 402 N CB -0.483 38.063 38.487 0.098 0.000 0.986 402 N HN 0.623 nan 8.380 nan 0.000 0.429 403 G N 0.476 109.414 108.800 0.230 0.000 2.448 403 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 403 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 403 G C 1.321 176.377 174.900 0.261 0.000 1.127 403 G CA 0.388 45.646 45.100 0.263 0.000 0.766 403 G HN 0.402 nan 8.290 nan 0.000 0.552 404 Q N -0.241 119.716 119.800 0.261 0.000 2.319 404 Q HA 0.096 4.436 4.340 -0.000 0.000 0.202 404 Q C 0.381 176.283 176.000 -0.164 0.000 0.896 404 Q CA -0.436 55.423 55.803 0.093 0.000 0.942 404 Q CB 0.317 29.233 28.738 0.296 0.000 1.083 404 Q HN 0.265 nan 8.270 nan 0.000 0.510 405 N N 1.063 119.676 118.700 -0.146 0.000 2.402 405 N HA 0.013 4.752 4.740 -0.000 0.000 0.252 405 N C 0.217 175.402 175.510 -0.540 0.000 1.118 405 N CA 0.353 53.057 53.050 -0.576 0.000 0.945 405 N CB 1.192 39.416 38.487 -0.437 0.000 1.147 405 N HN -0.037 nan 8.380 nan 0.000 0.495 406 T N 2.472 116.552 114.554 -0.789 0.000 2.977 406 T HA -0.074 4.276 4.350 -0.000 0.000 0.271 406 T C 1.267 175.763 174.700 -0.340 0.000 1.105 406 T CA 0.979 62.653 62.100 -0.710 0.000 1.116 406 T CB 0.288 68.572 68.868 -0.973 0.000 0.878 406 T HN 0.534 nan 8.240 nan 0.000 0.509 407 E N 0.795 120.801 120.200 -0.323 0.000 2.045 407 E HA 0.115 4.464 4.350 -0.000 0.000 0.190 407 E C 2.333 178.854 176.600 -0.132 0.000 0.968 407 E CA 0.584 56.866 56.400 -0.196 0.000 0.813 407 E CB -0.225 29.351 29.700 -0.207 0.000 0.780 407 E HN 0.464 nan 8.360 nan 0.000 0.455 408 I N 1.553 122.037 120.570 -0.143 0.000 2.163 408 I HA -0.210 3.960 4.170 -0.000 0.000 0.240 408 I C 1.590 177.687 176.117 -0.034 0.000 1.081 408 I CA 0.957 62.212 61.300 -0.075 0.000 1.353 408 I CB -0.196 37.767 38.000 -0.062 0.000 1.054 408 I HN -0.030 nan 8.210 nan 0.000 0.407 409 N N 1.745 120.437 118.700 -0.014 0.000 2.575 409 N HA -0.034 4.706 4.740 -0.000 0.000 0.275 409 N C 1.006 176.556 175.510 0.067 0.000 1.202 409 N CA -0.104 52.973 53.050 0.045 0.000 0.945 409 N CB -0.543 38.017 38.487 0.121 0.000 1.247 409 N HN 0.292 nan 8.380 nan 0.000 0.510 410 N N 0.117 118.826 118.700 0.014 0.000 2.334 410 N HA -0.190 4.550 4.740 -0.000 0.000 0.187 410 N C 0.893 176.396 175.510 -0.012 0.000 1.016 410 N CA 0.823 53.881 53.050 0.014 0.000 0.879 410 N CB -0.097 38.379 38.487 -0.018 0.000 0.965 410 N HN 0.302 nan 8.380 nan 0.000 0.438 411 M N 0.388 119.962 119.600 -0.043 0.000 2.630 411 M HA 0.075 4.555 4.480 -0.000 0.000 0.254 411 M C 0.703 176.911 176.300 -0.153 0.000 1.092 411 M CA 0.519 55.777 55.300 -0.070 0.000 1.087 411 M CB -0.684 31.887 32.600 -0.048 0.000 1.453 411 M HN 0.197 nan 8.290 nan 0.000 0.509 412 N N -0.477 118.040 118.700 -0.304 0.000 2.205 412 N HA 0.137 4.877 4.740 -0.000 0.000 0.201 412 N C -0.951 173.932 175.510 -1.046 0.000 1.128 412 N CA 0.225 52.895 53.050 -0.633 0.000 0.867 412 N CB 0.827 38.841 38.487 -0.788 0.000 0.996 412 N HN 0.142 nan 8.380 nan 0.000 0.503 413 F N 0.234 120.060 119.950 -0.207 0.000 2.612 413 F HA 0.285 4.812 4.527 -0.000 0.000 0.332 413 F C -0.058 175.707 175.800 -0.058 0.000 1.167 413 F CA -0.726 57.123 58.000 -0.250 0.000 0.970 413 F CB 1.529 40.116 39.000 -0.689 0.000 1.234 413 F HN -0.385 nan 8.300 nan 0.000 0.453 414 T N 3.243 117.912 114.554 0.190 0.000 2.753 414 T HA 0.199 4.548 4.350 -0.000 0.000 0.297 414 T C -0.031 174.835 174.700 0.277 0.000 0.981 414 T CA -0.692 61.512 62.100 0.174 0.000 0.956 414 T CB 0.548 69.448 68.868 0.054 0.000 0.936 414 T HN 0.405 nan 8.240 nan 0.000 0.463 415 K N 3.513 124.092 120.400 0.298 0.000 2.412 415 K HA 0.227 4.547 4.320 -0.000 0.000 0.281 415 K C 0.532 177.091 176.600 -0.069 0.000 1.027 415 K CA -0.056 56.270 56.287 0.065 0.000 0.989 415 K CB 0.313 32.851 32.500 0.064 0.000 0.935 415 K HN 0.557 nan 8.250 nan 0.000 0.475 416 L N 2.951 124.043 121.223 -0.218 0.000 2.609 416 L HA 0.275 4.615 4.340 -0.000 0.000 0.230 416 L C 0.663 177.442 176.870 -0.151 0.000 1.064 416 L CA -0.045 54.678 54.840 -0.194 0.000 0.873 416 L CB 0.275 42.069 42.059 -0.443 0.000 1.139 416 L HN 0.599 nan 8.230 nan 0.000 0.490 417 K N 0.000 120.263 120.400 -0.229 0.000 2.780 417 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 417 K CA 0.000 56.208 56.287 -0.132 0.000 0.838 417 K CB 0.000 32.476 32.500 -0.041 0.000 1.064 417 K HN 0.000 nan 8.250 nan 0.000 0.543