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 1gof_1_A DATA FIRST_RESID 1 DATA SEQUENCE ASAPIGSAIS RNNWAVTcDS AQSGNEcNKA IDGNKDTFWH TFYGANGDPK DATA SEQUENCE PPHTYTIDMK TTQNVNGLSM LPRQDGNQNG WIGRHEVYLS SDGTNWGSPV DATA SEQUENCE ASGSWFADST TKYSNFETRP ARYVRLVAIT EANGQPWTSI AEINVFQASS DATA SEQUENCE YTAPQPGLGR WGPTIDLPIV PAAAAIEPTS GRVLMWSSYR NDAFGGSPGG DATA SEQUENCE ITLTSSWDPS TGIVSDRTVT VTKHDMFCPG ISMDGNGQIV VTGGNDAKKT DATA SEQUENCE SLYDSSSDSW IPGPDMQVAR GYQSSATMSD GRVFTIGGSW SGGVFEKNGE DATA SEQUENCE VYSPSSKTWT SLPNAKVNPM LTADKQGLYR SDNHAWLFGW KKGSVFQAGP DATA SEQUENCE STAMNWYYTS GSGDVKSAGK RQSNRGVAPD AMCGNAVMYD AVKGKILTFG DATA SEQUENCE GSPDYQDSDA TTNAHIITLG EPGTSPNTVF ASNGLYFART FHTSVVLPDG DATA SEQUENCE STFITGGQRR GIPFEDSTPV FTPEIYVPEQ DTFYKQNPNS IVRVYHSISL DATA SEQUENCE LLPDGRVFNG GGGLCGDCTT NHFDAQIFTP NYLYNSNGNL ATRPKITRTS DATA SEQUENCE TQSVKVGGRI TISTDSSISK ASLIRYGTAT HTVNTDQRRI PLTLTNNGGN DATA SEQUENCE SYSFQVPSDS GVALPGYWML FVMNSAGVPS VASTIRVTQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.630 177.584 0.076 0.000 1.274 1 A CA 0.000 52.064 52.037 0.044 0.000 0.836 1 A CB 0.000 19.001 19.000 0.001 0.000 0.831 2 S N -1.671 114.049 115.700 0.033 0.000 2.998 2 S HA 0.998 5.466 4.470 -0.003 0.000 0.321 2 S C -0.898 173.409 174.600 -0.488 0.000 1.171 2 S CA 0.558 58.662 58.200 -0.161 0.000 0.882 2 S CB 1.471 64.696 63.200 0.041 0.000 1.301 2 S HN 2.656 nan 8.310 nan 0.000 0.629 3 A N 1.200 123.454 122.820 -0.942 0.000 2.597 3 A HA 0.789 5.107 4.320 -0.003 0.000 0.292 3 A C -3.215 173.721 177.584 -1.080 0.000 1.057 3 A CA -1.094 50.363 52.037 -0.967 0.000 0.674 3 A CB 1.245 19.977 19.000 -0.447 0.000 1.278 3 A HN 0.525 nan 8.150 nan 0.000 0.416 4 P HA 0.520 nan 4.420 nan 0.000 0.283 4 P C 0.531 177.556 177.300 -0.459 0.000 1.271 4 P CA -0.590 62.079 63.100 -0.718 0.000 0.841 4 P CB 0.794 31.702 31.700 -1.319 0.000 1.122 5 I N -2.838 117.540 120.570 -0.320 0.000 3.419 5 I HA 0.348 4.516 4.170 -0.003 0.000 0.286 5 I C 0.792 176.832 176.117 -0.128 0.000 1.268 5 I CA 0.150 61.341 61.300 -0.181 0.000 1.414 5 I CB -0.265 37.648 38.000 -0.145 0.000 1.074 5 I HN 0.211 nan 8.210 nan 0.000 0.457 6 G N 0.923 109.660 108.800 -0.106 0.000 3.108 6 G HA2 0.618 4.576 3.960 -0.003 0.000 0.268 6 G HA3 0.618 4.576 3.960 -0.003 0.000 0.268 6 G C -0.991 174.036 174.900 0.211 0.000 1.361 6 G CA -0.306 44.835 45.100 0.068 0.000 1.047 6 G HN 0.303 nan 8.290 nan 0.000 0.540 7 S N -0.928 114.936 115.700 0.273 0.000 2.509 7 S HA 0.705 5.174 4.470 -0.003 0.000 0.297 7 S C 0.249 175.033 174.600 0.306 0.000 1.118 7 S CA -0.152 58.225 58.200 0.295 0.000 1.074 7 S CB 1.594 64.880 63.200 0.143 0.000 1.038 7 S HN 1.447 nan 8.310 nan 0.000 0.498 8 A N 2.862 125.827 122.820 0.241 0.000 2.540 8 A HA 0.384 4.702 4.320 -0.003 0.000 0.239 8 A C 0.157 177.689 177.584 -0.086 0.000 1.061 8 A CA -0.250 51.692 52.037 -0.158 0.000 0.758 8 A CB -0.527 18.413 19.000 -0.099 0.000 0.991 8 A HN 0.843 nan 8.150 nan 0.000 0.502 9 I N 1.949 122.450 120.570 -0.116 0.000 2.440 9 I HA 0.145 4.314 4.170 -0.003 0.000 0.294 9 I C 0.741 176.796 176.117 -0.102 0.000 0.995 9 I CA -0.163 61.159 61.300 0.037 0.000 1.306 9 I CB 1.603 39.759 38.000 0.260 0.000 1.407 9 I HN 0.733 nan 8.210 nan 0.000 0.501 10 S N 5.978 121.613 115.700 -0.108 0.000 2.516 10 S HA 0.177 4.645 4.470 -0.003 0.000 0.282 10 S C 0.793 175.025 174.600 -0.615 0.000 1.286 10 S CA -0.588 57.455 58.200 -0.262 0.000 1.066 10 S CB 0.623 63.736 63.200 -0.145 0.000 0.884 10 S HN 0.575 nan 8.310 nan 0.000 0.491 11 R N 2.283 122.252 120.500 -0.884 0.000 2.310 11 R HA 0.060 4.398 4.340 -0.003 0.000 0.202 11 R C 1.370 177.251 176.300 -0.699 0.000 0.933 11 R CA 0.126 55.396 56.100 -1.384 0.000 1.054 11 R CB -0.327 29.284 30.300 -1.148 0.000 0.985 11 R HN 0.749 nan 8.270 nan 0.000 0.489 12 N N 1.419 119.886 118.700 -0.388 0.000 2.005 12 N HA -0.203 4.535 4.740 -0.003 0.000 0.199 12 N C 1.033 176.487 175.510 -0.093 0.000 1.054 12 N CA 1.409 54.350 53.050 -0.182 0.000 0.864 12 N CB -0.201 38.218 38.487 -0.113 0.000 1.063 12 N HN 0.102 nan 8.380 nan 0.000 0.428 13 N N -0.321 118.363 118.700 -0.027 0.000 2.571 13 N HA -0.033 4.705 4.740 -0.003 0.000 0.189 13 N C -0.596 175.050 175.510 0.225 0.000 1.154 13 N CA 0.369 53.474 53.050 0.091 0.000 0.907 13 N CB 0.005 38.559 38.487 0.111 0.000 0.977 13 N HN 0.274 nan 8.380 nan 0.000 0.449 14 W N 0.879 122.162 121.300 -0.028 0.000 2.150 14 W HA 0.474 5.133 4.660 -0.001 0.000 0.341 14 W C 0.292 176.796 176.519 -0.025 0.000 1.276 14 W CA -1.611 55.716 57.345 -0.029 0.000 1.238 14 W CB -0.115 29.337 29.460 -0.013 0.000 1.128 14 W HN -0.185 nan 8.180 nan 0.000 0.581 15 A N 2.501 125.435 122.820 0.189 0.000 2.357 15 A HA 0.653 4.971 4.320 -0.003 0.000 0.295 15 A C -1.077 176.523 177.584 0.026 0.000 1.121 15 A CA -0.677 51.407 52.037 0.078 0.000 0.742 15 A CB 0.766 19.788 19.000 0.036 0.000 1.181 15 A HN 0.688 nan 8.150 nan 0.000 0.454 16 V N 0.453 120.361 119.914 -0.009 0.000 2.628 16 V HA 0.936 5.054 4.120 -0.003 0.000 0.306 16 V C -0.300 175.629 176.094 -0.274 0.000 1.045 16 V CA -0.323 61.877 62.300 -0.167 0.000 0.905 16 V CB 1.481 33.214 31.823 -0.150 0.000 0.997 16 V HN 0.696 nan 8.190 nan 0.000 0.436 17 T N 3.553 117.873 114.554 -0.389 0.000 2.863 17 T HA 0.678 5.026 4.350 -0.003 0.000 0.285 17 T C -0.620 173.738 174.700 -0.570 0.000 1.009 17 T CA -0.284 61.604 62.100 -0.353 0.000 0.989 17 T CB 1.353 70.112 68.868 -0.183 0.000 1.004 17 T HN 1.016 nan 8.240 nan 0.000 0.455 18 c N 1.875 120.205 118.600 -0.450 0.000 2.889 18 c HA 0.451 5.019 4.570 -0.003 0.000 0.307 18 c C 1.606 175.626 174.090 -0.118 0.000 1.251 18 c CA -0.792 55.268 56.329 -0.447 0.000 1.593 18 c CB 1.967 44.085 42.510 -0.652 0.000 2.104 18 c HN 1.071 nan 8.230 nan 0.000 0.476 19 D N 0.856 121.288 120.400 0.053 0.000 2.123 19 D HA -0.039 4.599 4.640 -0.003 0.000 0.200 19 D C 0.354 176.648 176.300 -0.010 0.000 0.976 19 D CA 1.009 55.049 54.000 0.067 0.000 0.831 19 D CB 0.083 40.974 40.800 0.150 0.000 0.974 19 D HN 0.502 nan 8.370 nan 0.000 0.469 20 S N -1.098 114.587 115.700 -0.025 0.000 2.618 20 S HA 0.754 5.222 4.470 -0.003 0.000 0.277 20 S C -1.082 173.527 174.600 0.016 0.000 1.138 20 S CA -0.550 57.367 58.200 -0.472 0.000 0.844 20 S CB 2.482 65.056 63.200 -1.043 0.000 1.127 20 S HN 0.574 nan 8.310 nan 0.000 0.474 21 A N 1.374 124.137 122.820 -0.094 0.000 2.518 21 A HA 0.537 4.855 4.320 -0.003 0.000 0.295 21 A C -1.264 176.574 177.584 0.423 0.000 1.052 21 A CA -0.642 51.599 52.037 0.341 0.000 0.824 21 A CB 0.978 20.268 19.000 0.484 0.000 1.325 21 A HN 0.635 nan 8.150 nan 0.000 0.394 22 Q N 1.550 121.611 119.800 0.436 0.000 2.288 22 Q HA 0.443 4.781 4.340 -0.003 0.000 0.254 22 Q C 0.536 176.669 176.000 0.221 0.000 0.932 22 Q CA -0.167 55.865 55.803 0.382 0.000 0.902 22 Q CB 1.140 30.052 28.738 0.291 0.000 1.203 22 Q HN 0.947 nan 8.270 nan 0.000 0.415 23 S N 0.879 116.665 115.700 0.143 0.000 2.558 23 S HA 0.245 4.713 4.470 -0.003 0.000 0.293 23 S C 1.090 175.713 174.600 0.038 0.000 1.292 23 S CA 0.107 58.355 58.200 0.080 0.000 1.063 23 S CB 0.709 63.931 63.200 0.035 0.000 0.831 23 S HN 0.998 nan 8.310 nan 0.000 0.499 24 G N 2.962 111.776 108.800 0.023 0.000 2.258 24 G HA2 -0.268 3.690 3.960 -0.003 0.000 0.233 24 G HA3 -0.268 3.690 3.960 -0.003 0.000 0.233 24 G C 0.033 174.894 174.900 -0.065 0.000 1.006 24 G CA 0.136 45.216 45.100 -0.032 0.000 0.620 24 G HN 0.795 nan 8.290 nan 0.000 0.511 25 N N 1.029 119.744 118.700 0.025 0.000 2.599 25 N HA 0.412 5.150 4.740 -0.003 0.000 0.309 25 N C -0.612 175.062 175.510 0.273 0.000 1.743 25 N CA -0.480 52.611 53.050 0.068 0.000 0.918 25 N CB 0.758 39.302 38.487 0.096 0.000 1.339 25 N HN 0.337 nan 8.380 nan 0.000 0.493 26 E N 0.013 120.348 120.200 0.225 0.000 2.418 26 E HA -0.047 4.302 4.350 -0.003 0.000 0.261 26 E C 0.868 177.676 176.600 0.347 0.000 1.070 26 E CA -0.156 56.403 56.400 0.264 0.000 0.931 26 E CB 0.550 30.339 29.700 0.150 0.000 0.954 26 E HN 0.199 nan 8.360 nan 0.000 0.439 27 c N 2.696 121.423 118.600 0.212 0.000 2.363 27 c HA -0.247 4.321 4.570 -0.003 0.000 0.274 27 c C 2.038 176.207 174.090 0.131 0.000 1.183 27 c CA 1.877 58.155 56.329 -0.084 0.000 1.771 27 c CB -1.192 41.120 42.510 -0.330 0.000 2.059 27 c HN 0.935 nan 8.230 nan 0.000 0.455 28 N N 0.286 119.059 118.700 0.121 0.000 2.573 28 N HA -0.087 4.651 4.740 -0.003 0.000 0.187 28 N C 1.205 176.818 175.510 0.171 0.000 1.107 28 N CA 1.015 54.154 53.050 0.149 0.000 0.918 28 N CB -0.641 37.902 38.487 0.093 0.000 0.966 28 N HN 0.468 nan 8.380 nan 0.000 0.448 29 K N 0.699 121.223 120.400 0.207 0.000 2.211 29 K HA 0.111 4.429 4.320 -0.003 0.000 0.203 29 K C 1.779 178.505 176.600 0.211 0.000 1.050 29 K CA 1.021 57.417 56.287 0.181 0.000 0.945 29 K CB -0.595 32.016 32.500 0.185 0.000 0.732 29 K HN 0.395 nan 8.250 nan 0.000 0.451 30 A N 1.389 124.383 122.820 0.291 0.000 2.121 30 A HA -0.055 4.263 4.320 -0.003 0.000 0.218 30 A C 1.665 179.332 177.584 0.138 0.000 1.154 30 A CA 0.883 53.051 52.037 0.218 0.000 0.679 30 A CB -0.569 18.525 19.000 0.156 0.000 0.795 30 A HN 0.416 nan 8.150 nan 0.000 0.458 31 I N -3.527 117.138 120.570 0.159 0.000 3.569 31 I HA 0.298 4.466 4.170 -0.003 0.000 0.334 31 I C 0.263 176.395 176.117 0.025 0.000 1.570 31 I CA -0.035 61.320 61.300 0.091 0.000 1.082 31 I CB 0.642 38.739 38.000 0.160 0.000 1.323 31 I HN 0.030 nan 8.210 nan 0.000 0.489 32 D N 1.064 121.488 120.400 0.041 0.000 2.327 32 D HA 0.156 4.794 4.640 -0.003 0.000 0.205 32 D C 1.671 177.965 176.300 -0.009 0.000 0.989 32 D CA 1.009 55.018 54.000 0.015 0.000 0.873 32 D CB 0.127 40.947 40.800 0.034 0.000 0.955 32 D HN 0.475 nan 8.370 nan 0.000 0.515 33 G N 0.270 109.067 108.800 -0.006 0.000 2.179 33 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.220 33 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.220 33 G C -0.112 174.790 174.900 0.004 0.000 0.990 33 G CA 0.007 45.097 45.100 -0.018 0.000 0.646 33 G HN 0.578 nan 8.290 nan 0.000 0.517 34 N N 0.640 119.353 118.700 0.023 0.000 2.446 34 N HA 0.430 5.168 4.740 -0.003 0.000 0.265 34 N C 1.135 176.679 175.510 0.058 0.000 0.975 34 N CA -0.274 52.796 53.050 0.034 0.000 0.928 34 N CB 1.275 39.781 38.487 0.032 0.000 1.160 34 N HN 0.382 nan 8.380 nan 0.000 0.495 35 K N 2.016 122.446 120.400 0.049 0.000 2.504 35 K HA 0.020 4.338 4.320 -0.003 0.000 0.195 35 K C -0.237 176.423 176.600 0.100 0.000 1.036 35 K CA 1.004 57.327 56.287 0.060 0.000 0.984 35 K CB 0.307 32.825 32.500 0.031 0.000 0.788 35 K HN 0.332 nan 8.250 nan 0.000 0.488 36 D N 1.232 121.694 120.400 0.103 0.000 2.327 36 D HA -0.027 4.611 4.640 -0.003 0.000 0.205 36 D C 0.143 176.555 176.300 0.187 0.000 0.989 36 D CA 0.843 54.921 54.000 0.131 0.000 0.873 36 D CB 0.506 41.352 40.800 0.077 0.000 0.955 36 D HN 0.428 nan 8.370 nan 0.000 0.515 37 T N -0.726 113.919 114.554 0.151 0.000 2.824 37 T HA 0.608 4.956 4.350 -0.003 0.000 0.280 37 T C -0.287 174.563 174.700 0.250 0.000 0.995 37 T CA -0.938 61.221 62.100 0.098 0.000 1.009 37 T CB 1.268 70.157 68.868 0.035 0.000 0.955 37 T HN 0.007 nan 8.240 nan 0.000 0.452 38 F N -0.407 119.608 119.950 0.109 0.000 2.619 38 F HA 0.710 5.235 4.527 -0.003 0.000 0.308 38 F C -1.011 174.927 175.800 0.229 0.000 1.097 38 F CA -2.250 55.842 58.000 0.153 0.000 0.953 38 F CB 0.769 39.829 39.000 0.100 0.000 1.287 38 F HN 0.840 nan 8.300 nan 0.000 0.446 39 W N 4.768 126.274 121.300 0.344 0.000 2.190 39 W HA 0.500 5.158 4.660 -0.004 0.000 0.330 39 W C -1.265 175.501 176.519 0.411 0.000 1.299 39 W CA 0.155 57.682 57.345 0.303 0.000 1.215 39 W CB 0.343 30.001 29.460 0.329 0.000 1.147 39 W HN 0.814 nan 8.180 nan 0.000 0.563 40 H N 3.656 122.480 119.070 -0.410 0.000 2.954 40 H HA 0.242 4.796 4.556 -0.003 0.000 0.361 40 H C -0.244 174.805 175.328 -0.465 0.000 1.122 40 H CA -0.036 55.762 56.048 -0.416 0.000 1.217 40 H CB 1.635 31.408 29.762 0.018 0.000 1.776 40 H HN 0.541 nan 8.280 nan 0.000 0.533 41 T N 0.864 115.175 114.554 -0.405 0.000 2.754 41 T HA 0.269 4.617 4.350 -0.003 0.000 0.286 41 T C 0.594 175.549 174.700 0.425 0.000 0.997 41 T CA -0.628 61.380 62.100 -0.152 0.000 0.982 41 T CB 0.428 68.967 68.868 -0.549 0.000 1.027 41 T HN 0.188 nan 8.240 nan 0.000 0.529 42 F N 2.474 122.605 119.950 0.301 0.000 2.607 42 F HA 0.365 4.891 4.527 -0.003 0.000 0.374 42 F C 0.329 176.454 175.800 0.542 0.000 1.104 42 F CA -0.785 57.413 58.000 0.331 0.000 1.296 42 F CB -0.853 38.281 39.000 0.224 0.000 1.085 42 F HN 0.685 nan 8.300 nan 0.000 0.584 43 Y N -0.764 119.753 120.300 0.362 0.000 2.670 43 Y HA 0.707 5.255 4.550 -0.003 0.000 0.334 43 Y C 0.430 176.388 175.900 0.097 0.000 1.185 43 Y CA -1.743 56.526 58.100 0.282 0.000 1.053 43 Y CB 0.482 38.916 38.460 -0.044 0.000 1.298 43 Y HN 0.842 nan 8.280 nan 0.000 0.459 44 G N 1.073 109.969 108.800 0.160 0.000 2.815 44 G HA2 -0.302 3.656 3.960 -0.003 0.000 0.326 44 G HA3 -0.302 3.656 3.960 -0.003 0.000 0.326 44 G C 0.978 175.849 174.900 -0.049 0.000 1.191 44 G CA 1.434 46.533 45.100 -0.003 0.000 0.965 44 G HN 1.907 nan 8.290 nan 0.000 0.564 45 A N 0.692 123.415 122.820 -0.163 0.000 2.327 45 A HA 0.474 4.792 4.320 -0.003 0.000 0.228 45 A C 1.490 178.952 177.584 -0.204 0.000 1.275 45 A CA 1.299 53.245 52.037 -0.152 0.000 0.875 45 A CB -0.421 18.482 19.000 -0.162 0.000 0.925 45 A HN 0.573 nan 8.150 nan 0.000 0.493 46 N N -0.802 117.761 118.700 -0.228 0.000 2.143 46 N HA 0.318 5.056 4.740 -0.003 0.000 0.222 46 N C 0.581 175.979 175.510 -0.187 0.000 1.264 46 N CA 0.474 53.275 53.050 -0.414 0.000 0.897 46 N CB 1.068 39.064 38.487 -0.819 0.000 1.092 46 N HN 0.551 nan 8.380 nan 0.000 0.516 47 G N 1.201 109.995 108.800 -0.009 0.000 2.710 47 G HA2 -0.168 3.790 3.960 -0.003 0.000 0.668 47 G HA3 -0.168 3.790 3.960 -0.003 0.000 0.668 47 G C -1.435 173.635 174.900 0.283 0.000 1.320 47 G CA -0.699 44.473 45.100 0.120 0.000 0.860 47 G HN 0.198 nan 8.290 nan 0.000 0.538 48 D N 1.652 122.226 120.400 0.290 0.000 2.634 48 D HA 0.380 5.019 4.640 -0.003 0.000 0.318 48 D C -2.295 174.124 176.300 0.199 0.000 1.226 48 D CA -0.775 53.430 54.000 0.342 0.000 0.899 48 D CB 0.983 41.957 40.800 0.290 0.000 1.025 48 D HN 0.263 nan 8.370 nan 0.000 0.501 49 P HA -0.001 nan 4.420 nan 0.000 0.263 49 P C 0.355 177.781 177.300 0.210 0.000 1.195 49 P CA 0.194 63.439 63.100 0.241 0.000 0.762 49 P CB 1.109 33.012 31.700 0.339 0.000 0.799 50 K N 4.627 125.060 120.400 0.055 0.000 2.180 50 K HA 0.272 4.590 4.320 -0.003 0.000 0.251 50 K C -2.082 174.365 176.600 -0.255 0.000 1.014 50 K CA -1.515 54.741 56.287 -0.051 0.000 0.913 50 K CB -0.331 32.120 32.500 -0.082 0.000 1.008 50 K HN 0.345 nan 8.250 nan 0.000 0.490 51 P HA 0.160 nan 4.420 nan 0.000 0.274 51 P C -2.536 174.582 177.300 -0.303 0.000 1.246 51 P CA -1.286 61.494 63.100 -0.533 0.000 0.795 51 P CB -0.291 31.312 31.700 -0.161 0.000 1.006 52 P HA 0.137 nan 4.420 nan 0.000 0.269 52 P C -0.564 176.493 177.300 -0.404 0.000 1.209 52 P CA 0.632 63.593 63.100 -0.231 0.000 0.776 52 P CB 0.244 31.887 31.700 -0.095 0.000 0.876 53 H N 0.101 119.232 119.070 0.101 0.000 2.679 53 H HA 0.570 5.125 4.556 -0.002 0.000 0.367 53 H C -0.335 175.124 175.328 0.219 0.000 1.162 53 H CA -0.249 55.907 56.048 0.180 0.000 1.181 53 H CB 2.071 31.973 29.762 0.233 0.000 1.693 53 H HN 0.273 nan 8.280 nan 0.000 0.538 54 T N 1.501 116.262 114.554 0.344 0.000 2.909 54 T HA 0.269 4.617 4.350 -0.003 0.000 0.299 54 T C -1.440 173.293 174.700 0.055 0.000 1.073 54 T CA -0.642 61.557 62.100 0.166 0.000 0.999 54 T CB 1.713 70.577 68.868 -0.007 0.000 1.098 54 T HN 0.422 nan 8.240 nan 0.000 0.477 55 Y N 1.858 122.088 120.300 -0.116 0.000 2.327 55 Y HA 0.502 5.049 4.550 -0.004 0.000 0.325 55 Y C -0.560 175.244 175.900 -0.160 0.000 0.999 55 Y CA -0.480 57.455 58.100 -0.275 0.000 1.195 55 Y CB 1.283 39.589 38.460 -0.257 0.000 1.132 55 Y HN 0.637 nan 8.280 nan 0.000 0.455 56 T N 7.127 121.499 114.554 -0.303 0.000 2.807 56 T HA 0.651 4.999 4.350 -0.003 0.000 0.279 56 T C -0.558 174.085 174.700 -0.096 0.000 0.993 56 T CA -0.475 61.558 62.100 -0.110 0.000 0.970 56 T CB 1.009 69.823 68.868 -0.091 0.000 0.950 56 T HN 0.446 nan 8.240 nan 0.000 0.441 57 I N 2.286 122.862 120.570 0.010 0.000 2.569 57 I HA 0.428 4.596 4.170 -0.003 0.000 0.296 57 I C -0.723 175.294 176.117 -0.167 0.000 1.028 57 I CA -0.831 60.403 61.300 -0.109 0.000 1.082 57 I CB 2.087 39.910 38.000 -0.295 0.000 1.264 57 I HN 0.493 nan 8.210 nan 0.000 0.429 58 D N 6.199 126.447 120.400 -0.254 0.000 2.454 58 D HA 0.352 4.990 4.640 -0.003 0.000 0.247 58 D C 0.302 176.350 176.300 -0.419 0.000 1.129 58 D CA -0.410 53.335 54.000 -0.425 0.000 0.877 58 D CB 1.312 41.941 40.800 -0.285 0.000 1.082 58 D HN 0.455 nan 8.370 nan 0.000 0.537 59 M N 2.322 121.581 119.600 -0.569 0.000 2.619 59 M HA -0.010 4.468 4.480 -0.003 0.000 0.251 59 M C 1.100 177.312 176.300 -0.147 0.000 1.106 59 M CA 0.227 55.255 55.300 -0.453 0.000 1.086 59 M CB 0.057 32.360 32.600 -0.495 0.000 1.465 59 M HN 0.369 nan 8.290 nan 0.000 0.506 60 K N -0.864 119.393 120.400 -0.238 0.000 3.443 60 K HA -0.168 4.150 4.320 -0.003 0.000 0.323 60 K C 0.509 177.047 176.600 -0.103 0.000 0.757 60 K CA 2.053 58.263 56.287 -0.128 0.000 1.417 60 K CB -1.751 30.742 32.500 -0.012 0.000 1.338 60 K HN 0.592 nan 8.250 nan 0.000 0.459 61 T N -2.149 112.351 114.554 -0.090 0.000 2.831 61 T HA 0.503 4.851 4.350 -0.003 0.000 0.287 61 T C -0.178 174.477 174.700 -0.075 0.000 1.070 61 T CA -0.677 61.389 62.100 -0.057 0.000 1.010 61 T CB 2.356 71.218 68.868 -0.011 0.000 1.264 61 T HN -0.041 nan 8.240 nan 0.000 0.532 62 T N 2.728 117.254 114.554 -0.046 0.000 2.728 62 T HA 0.444 4.792 4.350 -0.003 0.000 0.296 62 T C -0.436 174.249 174.700 -0.024 0.000 0.940 62 T CA -0.635 61.438 62.100 -0.045 0.000 1.013 62 T CB 0.546 69.391 68.868 -0.039 0.000 0.912 62 T HN 0.431 nan 8.240 nan 0.000 0.484 63 Q N 2.374 122.160 119.800 -0.022 0.000 2.348 63 Q HA 0.373 4.711 4.340 -0.003 0.000 0.271 63 Q C -0.378 175.622 176.000 0.000 0.000 1.067 63 Q CA -0.947 54.861 55.803 0.009 0.000 0.839 63 Q CB 1.254 30.013 28.738 0.034 0.000 1.354 63 Q HN 0.413 nan 8.270 nan 0.000 0.447 64 N N 1.157 119.869 118.700 0.020 0.000 2.663 64 N HA 0.139 4.877 4.740 -0.003 0.000 0.250 64 N C -0.677 174.877 175.510 0.073 0.000 1.129 64 N CA 0.019 53.079 53.050 0.017 0.000 0.995 64 N CB 0.414 38.937 38.487 0.060 0.000 1.324 64 N HN 0.220 nan 8.380 nan 0.000 0.512 65 V N 2.636 122.611 119.914 0.102 0.000 2.555 65 V HA 0.087 4.205 4.120 -0.003 0.000 0.286 65 V C 1.189 177.410 176.094 0.212 0.000 1.044 65 V CA -0.344 62.065 62.300 0.181 0.000 1.026 65 V CB 0.935 32.910 31.823 0.253 0.000 0.981 65 V HN 0.625 nan 8.190 nan 0.000 0.480 66 N N 2.321 121.041 118.700 0.034 0.000 2.160 66 N HA 0.388 5.126 4.740 -0.003 0.000 0.226 66 N C 0.007 175.044 175.510 -0.788 0.000 1.256 66 N CA 0.485 53.380 53.050 -0.257 0.000 0.890 66 N CB 1.510 39.929 38.487 -0.112 0.000 1.116 66 N HN 0.824 nan 8.380 nan 0.000 0.517 67 G N -0.095 108.356 108.800 -0.580 0.000 2.313 67 G HA2 0.478 4.436 3.960 -0.003 0.000 0.296 67 G HA3 0.478 4.436 3.960 -0.003 0.000 0.296 67 G C -2.429 172.657 174.900 0.310 0.000 1.356 67 G CA -0.405 44.407 45.100 -0.479 0.000 0.833 67 G HN 0.527 nan 8.290 nan 0.000 0.552 68 L N -1.615 119.868 121.223 0.433 0.000 2.540 68 L HA 0.992 5.330 4.340 -0.003 0.000 0.256 68 L C -0.254 176.903 176.870 0.478 0.000 1.001 68 L CA -0.740 54.418 54.840 0.531 0.000 0.843 68 L CB 1.704 44.008 42.059 0.408 0.000 1.436 68 L HN 1.478 nan 8.230 nan 0.000 0.410 69 S N 1.882 117.807 115.700 0.374 0.000 2.542 69 S HA 0.887 5.355 4.470 -0.003 0.000 0.293 69 S C -0.677 173.820 174.600 -0.172 0.000 1.089 69 S CA -0.651 57.508 58.200 -0.068 0.000 0.961 69 S CB 1.821 64.991 63.200 -0.051 0.000 1.062 69 S HN 1.018 nan 8.310 nan 0.000 0.483 70 M N 3.411 122.742 119.600 -0.448 0.000 2.106 70 M HA 0.436 4.914 4.480 -0.003 0.000 0.288 70 M C -2.198 173.829 176.300 -0.454 0.000 0.941 70 M CA -0.868 54.196 55.300 -0.393 0.000 0.934 70 M CB 1.300 33.603 32.600 -0.494 0.000 1.551 70 M HN 0.892 nan 8.290 nan 0.000 0.437 71 L N 9.168 130.226 121.223 -0.275 0.000 2.257 71 L HA 0.628 4.966 4.340 -0.003 0.000 0.290 71 L C -2.370 174.389 176.870 -0.184 0.000 1.044 71 L CA -1.146 53.547 54.840 -0.246 0.000 0.810 71 L CB 0.933 42.903 42.059 -0.148 0.000 1.193 71 L HN 0.408 nan 8.230 nan 0.000 0.425 72 P HA 0.104 nan 4.420 nan 0.000 0.274 72 P C -1.159 176.097 177.300 -0.073 0.000 1.264 72 P CA -0.426 62.586 63.100 -0.148 0.000 0.795 72 P CB 0.211 31.729 31.700 -0.303 0.000 1.064 73 R N 0.854 121.313 120.500 -0.068 0.000 2.537 73 R HA 0.084 4.422 4.340 -0.003 0.000 0.280 73 R C 0.193 176.463 176.300 -0.050 0.000 1.058 73 R CA 0.002 55.950 56.100 -0.253 0.000 1.057 73 R CB -0.167 29.684 30.300 -0.748 0.000 0.973 73 R HN 0.349 nan 8.270 nan 0.000 0.438 74 Q N 1.833 121.612 119.800 -0.034 0.000 2.220 74 Q HA -0.017 4.321 4.340 -0.003 0.000 0.205 74 Q C -0.104 175.915 176.000 0.032 0.000 0.865 74 Q CA 0.248 56.063 55.803 0.020 0.000 0.960 74 Q CB 0.668 29.420 28.738 0.024 0.000 1.097 74 Q HN 0.800 nan 8.270 nan 0.000 0.493 75 D N -0.810 119.596 120.400 0.011 0.000 2.319 75 D HA 0.075 4.713 4.640 -0.003 0.000 0.230 75 D C 1.204 177.506 176.300 0.003 0.000 1.094 75 D CA 0.588 54.605 54.000 0.029 0.000 0.856 75 D CB 0.109 40.955 40.800 0.076 0.000 0.915 75 D HN 0.250 nan 8.370 nan 0.000 0.517 76 G N 0.531 109.336 108.800 0.009 0.000 2.241 76 G HA2 -0.306 3.652 3.960 -0.003 0.000 0.244 76 G HA3 -0.306 3.652 3.960 -0.003 0.000 0.244 76 G C 0.147 175.003 174.900 -0.072 0.000 0.998 76 G CA 0.109 45.209 45.100 0.001 0.000 0.621 76 G HN 0.636 nan 8.290 nan 0.000 0.519 77 N N 0.456 119.076 118.700 -0.133 0.000 2.479 77 N HA 0.333 5.071 4.740 -0.003 0.000 0.285 77 N C 1.116 176.338 175.510 -0.480 0.000 1.075 77 N CA -0.111 52.783 53.050 -0.259 0.000 0.967 77 N CB 0.688 39.040 38.487 -0.225 0.000 1.137 77 N HN 0.434 nan 8.380 nan 0.000 0.472 78 Q N 1.018 120.358 119.800 -0.768 0.000 2.424 78 Q HA 0.085 4.423 4.340 -0.003 0.000 0.204 78 Q C -0.412 174.879 176.000 -1.181 0.000 0.933 78 Q CA 0.103 54.901 55.803 -1.676 0.000 0.929 78 Q CB 0.150 27.967 28.738 -1.535 0.000 1.037 78 Q HN 0.551 nan 8.270 nan 0.000 0.511 79 N N 1.043 119.393 118.700 -0.583 0.000 2.411 79 N HA 0.036 4.774 4.740 -0.003 0.000 0.265 79 N C 0.807 176.179 175.510 -0.231 0.000 1.266 79 N CA 1.361 54.252 53.050 -0.265 0.000 0.889 79 N CB 0.828 39.179 38.487 -0.227 0.000 1.069 79 N HN 0.425 nan 8.380 nan 0.000 0.476 80 G N 0.936 109.709 108.800 -0.044 0.000 2.179 80 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.220 80 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.220 80 G C -0.517 174.438 174.900 0.092 0.000 0.990 80 G CA -0.622 44.440 45.100 -0.064 0.000 0.646 80 G HN 0.463 nan 8.290 nan 0.000 0.517 81 W N 1.356 122.618 121.300 -0.064 0.000 2.347 81 W HA 0.523 5.180 4.660 -0.004 0.000 0.333 81 W C 1.025 177.565 176.519 0.035 0.000 1.383 81 W CA -0.994 56.326 57.345 -0.041 0.000 1.283 81 W CB -0.283 29.146 29.460 -0.051 0.000 1.253 81 W HN 0.158 nan 8.180 nan 0.000 0.563 82 I N 4.349 125.095 120.570 0.294 0.000 2.533 82 I HA 0.124 4.292 4.170 -0.003 0.000 0.284 82 I C 1.332 177.642 176.117 0.322 0.000 1.109 82 I CA 0.513 61.996 61.300 0.306 0.000 1.412 82 I CB 0.329 38.552 38.000 0.371 0.000 1.396 82 I HN 0.550 nan 8.210 nan 0.000 0.543 83 G N 6.414 115.360 108.800 0.244 0.000 2.992 83 G HA2 0.221 4.179 3.960 -0.003 0.000 0.195 83 G HA3 0.221 4.179 3.960 -0.003 0.000 0.195 83 G C 0.272 175.300 174.900 0.213 0.000 2.032 83 G CA -0.537 44.690 45.100 0.211 0.000 0.831 83 G HN 0.497 nan 8.290 nan 0.000 0.647 84 R N 1.582 122.152 120.500 0.116 0.000 2.570 84 R HA 0.298 4.636 4.340 -0.003 0.000 0.277 84 R C -0.224 176.088 176.300 0.020 0.000 1.039 84 R CA 0.273 56.383 56.100 0.017 0.000 1.065 84 R CB 0.221 30.516 30.300 -0.009 0.000 0.964 84 R HN 0.780 nan 8.270 nan 0.000 0.428 85 H N -0.122 118.830 119.070 -0.196 0.000 2.990 85 H HA 0.478 5.034 4.556 -0.000 0.000 0.336 85 H C -1.169 174.039 175.328 -0.201 0.000 1.306 85 H CA -1.132 54.786 56.048 -0.216 0.000 1.118 85 H CB 1.718 31.225 29.762 -0.425 0.000 1.856 85 H HN 0.545 nan 8.280 nan 0.000 0.538 86 E N 0.701 120.831 120.200 -0.117 0.000 2.314 86 E HA 0.488 4.836 4.350 -0.003 0.000 0.272 86 E C -1.284 175.246 176.600 -0.116 0.000 0.884 86 E CA -1.075 55.211 56.400 -0.190 0.000 0.753 86 E CB 3.563 33.183 29.700 -0.134 0.000 1.213 86 E HN 0.301 nan 8.360 nan 0.000 0.432 87 V N 3.086 122.860 119.914 -0.233 0.000 2.487 87 V HA 0.421 4.540 4.120 -0.003 0.000 0.298 87 V C -1.276 174.632 176.094 -0.310 0.000 1.028 87 V CA -0.718 61.517 62.300 -0.109 0.000 0.860 87 V CB 0.603 32.434 31.823 0.013 0.000 0.991 87 V HN 0.566 nan 8.190 nan 0.000 0.427 88 Y N 4.325 124.623 120.300 -0.003 0.000 2.524 88 Y HA 0.758 5.304 4.550 -0.007 0.000 0.344 88 Y C -0.075 175.989 175.900 0.273 0.000 1.012 88 Y CA -0.945 57.222 58.100 0.112 0.000 1.068 88 Y CB 1.867 40.430 38.460 0.171 0.000 1.249 88 Y HN 0.385 nan 8.280 nan 0.000 0.468 89 L N 1.572 123.058 121.223 0.437 0.000 2.354 89 L HA 0.786 5.124 4.340 -0.003 0.000 0.269 89 L C -0.475 176.487 176.870 0.154 0.000 1.005 89 L CA -0.799 54.217 54.840 0.293 0.000 0.819 89 L CB 2.206 44.323 42.059 0.096 0.000 1.311 89 L HN 0.594 nan 8.230 nan 0.000 0.423 90 S N -0.782 114.872 115.700 -0.076 0.000 2.533 90 S HA 0.349 4.818 4.470 -0.003 0.000 0.271 90 S C 0.224 174.719 174.600 -0.175 0.000 1.143 90 S CA -0.262 57.661 58.200 -0.462 0.000 0.891 90 S CB 1.833 64.102 63.200 -1.552 0.000 1.105 90 S HN 0.714 nan 8.310 nan 0.000 0.468 91 S N 1.819 117.418 115.700 -0.169 0.000 2.535 91 S HA 0.098 4.566 4.470 -0.003 0.000 0.214 91 S C 0.730 175.329 174.600 -0.002 0.000 0.980 91 S CA 0.693 58.883 58.200 -0.018 0.000 0.907 91 S CB -0.082 63.087 63.200 -0.053 0.000 0.790 91 S HN 0.792 nan 8.310 nan 0.000 0.510 92 D N -0.260 119.957 120.400 -0.304 0.000 2.473 92 D HA 0.260 4.898 4.640 -0.003 0.000 0.242 92 D C 1.463 177.179 176.300 -0.973 0.000 1.106 92 D CA 0.835 54.587 54.000 -0.415 0.000 0.854 92 D CB -0.273 40.356 40.800 -0.285 0.000 1.192 92 D HN 0.483 nan 8.370 nan 0.000 0.503 93 G N -0.574 107.333 108.800 -1.488 0.000 2.213 93 G HA2 -0.299 3.659 3.960 -0.003 0.000 0.236 93 G HA3 -0.299 3.659 3.960 -0.003 0.000 0.236 93 G C 1.131 175.671 174.900 -0.599 0.000 0.991 93 G CA 0.816 45.078 45.100 -1.396 0.000 0.629 93 G HN 0.430 nan 8.290 nan 0.000 0.517 94 T N 0.022 114.212 114.554 -0.607 0.000 3.019 94 T HA 0.211 4.559 4.350 -0.003 0.000 0.247 94 T C 0.661 175.171 174.700 -0.317 0.000 0.992 94 T CA 0.355 62.289 62.100 -0.277 0.000 1.036 94 T CB 0.202 68.962 68.868 -0.179 0.000 1.063 94 T HN 0.415 nan 8.240 nan 0.000 0.476 95 N N 0.837 119.226 118.700 -0.519 0.000 2.485 95 N HA 0.183 4.921 4.740 -0.003 0.000 0.243 95 N C -0.471 174.682 175.510 -0.594 0.000 0.987 95 N CA -0.261 52.573 53.050 -0.361 0.000 0.940 95 N CB 1.388 39.737 38.487 -0.231 0.000 1.122 95 N HN 0.323 nan 8.380 nan 0.000 0.509 96 W N 2.529 123.773 121.300 -0.093 0.000 2.587 96 W HA 0.203 4.859 4.660 -0.007 0.000 0.307 96 W C 1.658 178.216 176.519 0.065 0.000 1.138 96 W CA 1.268 58.588 57.345 -0.042 0.000 1.450 96 W CB -0.134 29.195 29.460 -0.219 0.000 1.149 96 W HN 0.692 nan 8.180 nan 0.000 0.512 97 G N -0.095 108.869 108.800 0.274 0.000 2.445 97 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.212 97 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.212 97 G C -0.505 174.582 174.900 0.312 0.000 1.217 97 G CA -0.311 44.912 45.100 0.205 0.000 1.002 97 G HN 0.160 nan 8.290 nan 0.000 0.574 98 S N 1.934 117.757 115.700 0.206 0.000 2.586 98 S HA 0.697 5.165 4.470 -0.003 0.000 0.274 98 S C -2.156 172.456 174.600 0.021 0.000 1.281 98 S CA -0.656 57.637 58.200 0.155 0.000 1.035 98 S CB 1.008 64.256 63.200 0.080 0.000 0.962 98 S HN 0.584 nan 8.310 nan 0.000 0.512 99 P HA 0.031 nan 4.420 nan 0.000 0.266 99 P C 0.893 178.003 177.300 -0.316 0.000 1.195 99 P CA -0.265 62.454 63.100 -0.636 0.000 0.768 99 P CB 0.331 31.616 31.700 -0.691 0.000 0.838 100 V N 0.082 119.774 119.914 -0.369 0.000 2.871 100 V HA 0.345 4.463 4.120 -0.003 0.000 0.256 100 V C 0.661 176.589 176.094 -0.276 0.000 1.082 100 V CA 1.261 63.343 62.300 -0.362 0.000 1.105 100 V CB -1.075 30.340 31.823 -0.681 0.000 0.713 100 V HN 0.628 nan 8.190 nan 0.000 0.473 101 A N -0.194 122.474 122.820 -0.253 0.000 2.612 101 A HA 0.860 5.178 4.320 -0.003 0.000 0.293 101 A C -0.427 177.049 177.584 -0.180 0.000 1.075 101 A CA 0.186 52.169 52.037 -0.090 0.000 0.680 101 A CB 1.622 20.705 19.000 0.138 0.000 1.279 101 A HN 1.468 nan 8.150 nan 0.000 0.411 102 S N -0.376 115.204 115.700 -0.200 0.000 2.595 102 S HA 0.942 5.410 4.470 -0.003 0.000 0.270 102 S C -0.122 174.227 174.600 -0.418 0.000 1.145 102 S CA 0.562 58.536 58.200 -0.376 0.000 0.825 102 S CB 0.878 63.925 63.200 -0.255 0.000 1.107 102 S HN 2.911 nan 8.310 nan 0.000 0.461 103 G N 0.744 109.178 108.800 -0.610 0.000 2.347 103 G HA2 0.439 4.397 3.960 -0.003 0.000 0.224 103 G HA3 0.439 4.397 3.960 -0.003 0.000 0.224 103 G C -1.203 173.453 174.900 -0.407 0.000 1.318 103 G CA -0.048 44.849 45.100 -0.339 0.000 1.016 103 G HN 1.559 nan 8.290 nan 0.000 0.469 104 S N -0.650 115.002 115.700 -0.080 0.000 2.549 104 S HA 0.733 5.201 4.470 -0.003 0.000 0.280 104 S C -1.488 173.278 174.600 0.278 0.000 1.109 104 S CA -0.528 57.721 58.200 0.083 0.000 0.905 104 S CB 1.690 64.975 63.200 0.142 0.000 1.081 104 S HN 0.538 nan 8.310 nan 0.000 0.477 105 W N 1.749 123.198 121.300 0.247 0.000 2.570 105 W HA 0.510 5.171 4.660 0.002 0.000 0.337 105 W C -0.107 176.460 176.519 0.080 0.000 1.067 105 W CA -1.802 55.606 57.345 0.105 0.000 1.229 105 W CB 0.613 30.043 29.460 -0.050 0.000 1.355 105 W HN 0.606 nan 8.180 nan 0.000 0.555 106 F N 1.880 121.903 119.950 0.122 0.000 2.545 106 F HA 0.318 4.842 4.527 -0.004 0.000 0.348 106 F C 0.734 176.500 175.800 -0.056 0.000 1.163 106 F CA -0.168 57.843 58.000 0.018 0.000 1.331 106 F CB 0.706 39.654 39.000 -0.087 0.000 1.138 106 F HN 0.334 nan 8.300 nan 0.000 0.602 107 A N 4.575 126.890 122.820 -0.842 0.000 2.922 107 A HA 0.436 4.754 4.320 -0.003 0.000 0.298 107 A C -0.988 176.259 177.584 -0.561 0.000 1.588 107 A CA 0.075 51.827 52.037 -0.476 0.000 1.288 107 A CB -1.176 17.699 19.000 -0.207 0.000 1.130 107 A HN 0.729 nan 8.150 nan 0.000 0.557 108 D N -0.860 119.046 120.400 -0.823 0.000 2.692 108 D HA 0.240 4.878 4.640 -0.003 0.000 0.303 108 D C 0.211 175.674 176.300 -1.394 0.000 1.278 108 D CA 0.192 53.692 54.000 -0.833 0.000 0.852 108 D CB 0.167 40.903 40.800 -0.108 0.000 1.375 108 D HN 0.165 nan 8.370 nan 0.000 0.453 109 S N -1.508 113.727 115.700 -0.775 0.000 2.614 109 S HA 0.228 4.696 4.470 -0.003 0.000 0.230 109 S C 0.574 174.942 174.600 -0.387 0.000 0.952 109 S CA 0.169 58.026 58.200 -0.572 0.000 0.949 109 S CB -1.196 61.948 63.200 -0.094 0.000 0.786 109 S HN 0.761 nan 8.310 nan 0.000 0.478 110 T N 0.262 114.580 114.554 -0.392 0.000 2.868 110 T HA 0.347 4.695 4.350 -0.003 0.000 0.292 110 T C 0.184 174.645 174.700 -0.400 0.000 1.028 110 T CA -0.395 61.519 62.100 -0.309 0.000 1.059 110 T CB 0.480 69.195 68.868 -0.255 0.000 0.991 110 T HN 0.170 nan 8.240 nan 0.000 0.531 111 T N 3.750 118.096 114.554 -0.347 0.000 2.902 111 T HA 0.220 4.568 4.350 -0.003 0.000 0.301 111 T C 0.278 174.562 174.700 -0.694 0.000 1.012 111 T CA -0.365 61.437 62.100 -0.497 0.000 1.151 111 T CB 0.148 68.751 68.868 -0.442 0.000 0.946 111 T HN 0.432 nan 8.240 nan 0.000 0.542 112 K N 2.301 122.119 120.400 -0.970 0.000 2.156 112 K HA 0.551 4.869 4.320 -0.003 0.000 0.250 112 K C -0.935 174.987 176.600 -1.130 0.000 0.955 112 K CA -0.593 54.975 56.287 -1.200 0.000 0.855 112 K CB 1.432 32.668 32.500 -2.106 0.000 1.101 112 K HN 0.559 nan 8.250 nan 0.000 0.434 113 Y N -0.976 119.113 120.300 -0.353 0.000 2.570 113 Y HA 0.388 4.936 4.550 -0.004 0.000 0.345 113 Y C -0.070 176.058 175.900 0.379 0.000 1.014 113 Y CA -0.822 57.282 58.100 0.007 0.000 1.063 113 Y CB 2.400 40.837 38.460 -0.037 0.000 1.272 113 Y HN 0.330 nan 8.280 nan 0.000 0.477 114 S N 2.217 118.241 115.700 0.540 0.000 2.774 114 S HA 0.389 4.857 4.470 -0.003 0.000 0.297 114 S C -1.219 173.545 174.600 0.274 0.000 1.143 114 S CA -0.964 57.555 58.200 0.531 0.000 1.090 114 S CB 0.265 63.843 63.200 0.630 0.000 1.019 114 S HN 0.466 nan 8.310 nan 0.000 0.482 115 N N 3.124 121.923 118.700 0.166 0.000 2.400 115 N HA 0.730 5.468 4.740 -0.003 0.000 0.288 115 N C -0.902 174.585 175.510 -0.039 0.000 1.024 115 N CA -0.270 52.720 53.050 -0.100 0.000 0.894 115 N CB 1.303 39.767 38.487 -0.037 0.000 1.173 115 N HN 0.570 nan 8.380 nan 0.000 0.487 116 F N -1.540 118.464 119.950 0.089 0.000 2.711 116 F HA 0.492 5.018 4.527 -0.001 0.000 0.313 116 F C 0.019 175.856 175.800 0.062 0.000 1.141 116 F CA -1.244 56.801 58.000 0.075 0.000 0.941 116 F CB 0.689 39.741 39.000 0.087 0.000 1.349 116 F HN -0.003 nan 8.300 nan 0.000 0.464 117 E N 0.815 121.224 120.200 0.348 0.000 2.398 117 E HA 0.149 4.497 4.350 -0.003 0.000 0.263 117 E C -0.335 176.453 176.600 0.313 0.000 1.046 117 E CA -0.021 56.516 56.400 0.228 0.000 0.908 117 E CB 0.673 30.506 29.700 0.223 0.000 0.963 117 E HN 0.650 nan 8.360 nan 0.000 0.431 118 T N 2.871 117.558 114.554 0.221 0.000 2.908 118 T HA 0.105 4.453 4.350 -0.003 0.000 0.301 118 T C 0.594 175.448 174.700 0.255 0.000 1.019 118 T CA 0.490 62.735 62.100 0.242 0.000 1.152 118 T CB 0.243 69.263 68.868 0.254 0.000 0.966 118 T HN 0.285 nan 8.240 nan 0.000 0.540 119 R N 3.928 124.515 120.500 0.145 0.000 2.512 119 R HA 0.314 4.653 4.340 -0.003 0.000 0.291 119 R C -2.997 173.225 176.300 -0.131 0.000 1.097 119 R CA -2.023 54.057 56.100 -0.033 0.000 0.940 119 R CB 1.417 31.758 30.300 0.068 0.000 1.198 119 R HN 0.310 nan 8.270 nan 0.000 0.429 120 P HA 0.086 nan 4.420 nan 0.000 0.262 120 P C -1.288 175.943 177.300 -0.114 0.000 1.182 120 P CA 0.277 63.231 63.100 -0.243 0.000 0.761 120 P CB 1.148 32.652 31.700 -0.327 0.000 0.795 121 A N 3.155 125.940 122.820 -0.058 0.000 2.608 121 A HA 0.533 4.851 4.320 -0.003 0.000 0.292 121 A C 0.459 178.019 177.584 -0.041 0.000 1.066 121 A CA -0.638 51.385 52.037 -0.024 0.000 0.676 121 A CB 1.330 20.344 19.000 0.024 0.000 1.277 121 A HN 0.471 nan 8.150 nan 0.000 0.413 122 R N -0.743 119.733 120.500 -0.041 0.000 2.287 122 R HA 0.261 4.599 4.340 -0.003 0.000 0.197 122 R C -0.895 175.174 176.300 -0.386 0.000 0.900 122 R CA 0.612 56.588 56.100 -0.208 0.000 1.052 122 R CB 0.236 30.402 30.300 -0.223 0.000 1.117 122 R HN 0.685 nan 8.270 nan 0.000 0.568 123 Y N -0.080 120.163 120.300 -0.094 0.000 2.429 123 Y HA 0.523 5.071 4.550 -0.003 0.000 0.342 123 Y C -0.429 175.566 175.900 0.158 0.000 1.004 123 Y CA -1.029 57.071 58.100 0.001 0.000 1.075 123 Y CB 2.199 40.660 38.460 0.002 0.000 1.214 123 Y HN -0.333 nan 8.280 nan 0.000 0.455 124 V N 3.437 123.563 119.914 0.354 0.000 2.760 124 V HA 0.613 4.731 4.120 -0.003 0.000 0.309 124 V C -0.829 175.431 176.094 0.276 0.000 1.077 124 V CA -1.163 61.326 62.300 0.316 0.000 0.910 124 V CB 2.278 34.171 31.823 0.117 0.000 1.008 124 V HN 0.765 nan 8.190 nan 0.000 0.424 125 R N 3.384 124.004 120.500 0.199 0.000 2.538 125 R HA 0.719 5.057 4.340 -0.003 0.000 0.292 125 R C -2.150 174.216 176.300 0.110 0.000 1.008 125 R CA -0.707 55.377 56.100 -0.026 0.000 0.896 125 R CB 1.877 31.797 30.300 -0.633 0.000 1.187 125 R HN 0.612 nan 8.270 nan 0.000 0.440 126 L N 5.362 126.673 121.223 0.147 0.000 2.305 126 L HA 0.473 4.811 4.340 -0.003 0.000 0.284 126 L C -1.512 175.471 176.870 0.188 0.000 1.013 126 L CA -0.458 54.501 54.840 0.198 0.000 0.819 126 L CB 1.915 44.118 42.059 0.240 0.000 1.227 126 L HN 0.388 nan 8.230 nan 0.000 0.417 127 V N 4.865 124.887 119.914 0.180 0.000 2.370 127 V HA 0.742 4.860 4.120 -0.003 0.000 0.283 127 V C 0.451 176.649 176.094 0.174 0.000 1.023 127 V CA -0.474 61.921 62.300 0.158 0.000 0.857 127 V CB 1.143 33.050 31.823 0.140 0.000 0.985 127 V HN 0.941 nan 8.190 nan 0.000 0.443 128 A N 5.496 128.437 122.820 0.201 0.000 2.260 128 A HA 0.612 4.930 4.320 -0.003 0.000 0.312 128 A C 0.786 178.439 177.584 0.115 0.000 1.321 128 A CA -0.384 51.773 52.037 0.200 0.000 0.928 128 A CB 0.091 19.256 19.000 0.275 0.000 1.158 128 A HN 0.690 nan 8.150 nan 0.000 0.542 129 I N 1.577 122.193 120.570 0.077 0.000 2.585 129 I HA 0.017 4.185 4.170 -0.003 0.000 0.254 129 I C 1.378 177.505 176.117 0.017 0.000 1.129 129 I CA 1.681 62.995 61.300 0.024 0.000 1.455 129 I CB -1.070 36.934 38.000 0.007 0.000 1.111 129 I HN 0.702 nan 8.210 nan 0.000 0.433 130 T N -1.731 112.854 114.554 0.052 0.000 2.896 130 T HA 0.438 4.786 4.350 -0.003 0.000 0.297 130 T C -0.518 174.237 174.700 0.092 0.000 1.108 130 T CA -0.757 61.372 62.100 0.049 0.000 1.004 130 T CB 3.159 72.051 68.868 0.040 0.000 1.159 130 T HN 0.030 nan 8.240 nan 0.000 0.499 131 E N 0.359 120.600 120.200 0.069 0.000 2.204 131 E HA 0.518 4.866 4.350 -0.003 0.000 0.276 131 E C 1.194 177.853 176.600 0.099 0.000 0.974 131 E CA -0.521 55.936 56.400 0.094 0.000 0.815 131 E CB 1.776 31.504 29.700 0.046 0.000 1.119 131 E HN 0.852 nan 8.360 nan 0.000 0.393 132 A N 4.345 127.261 122.820 0.159 0.000 2.032 132 A HA -0.215 4.103 4.320 -0.003 0.000 0.221 132 A C 1.317 178.955 177.584 0.091 0.000 1.165 132 A CA 1.944 54.071 52.037 0.150 0.000 0.645 132 A CB -0.312 18.837 19.000 0.250 0.000 0.807 132 A HN 0.703 nan 8.150 nan 0.000 0.453 133 N N -2.130 116.606 118.700 0.062 0.000 2.203 133 N HA 0.367 5.105 4.740 -0.003 0.000 0.207 133 N C 0.736 176.248 175.510 0.003 0.000 1.130 133 N CA 0.703 53.766 53.050 0.022 0.000 0.861 133 N CB 0.771 39.253 38.487 -0.007 0.000 1.005 133 N HN 0.536 nan 8.380 nan 0.000 0.507 134 G N 0.190 108.990 108.800 -0.001 0.000 2.132 134 G HA2 -0.241 3.717 3.960 -0.003 0.000 0.234 134 G HA3 -0.241 3.717 3.960 -0.003 0.000 0.234 134 G C -0.100 174.750 174.900 -0.084 0.000 0.989 134 G CA -0.193 44.890 45.100 -0.029 0.000 0.676 134 G HN 0.146 nan 8.290 nan 0.000 0.522 135 Q N -0.768 118.964 119.800 -0.114 0.000 2.185 135 Q HA 0.451 4.789 4.340 -0.003 0.000 0.225 135 Q C -1.605 174.145 176.000 -0.416 0.000 0.983 135 Q CA -1.540 54.082 55.803 -0.301 0.000 0.950 135 Q CB 1.020 29.608 28.738 -0.248 0.000 1.176 135 Q HN 0.180 nan 8.270 nan 0.000 0.510 136 P HA 0.013 nan 4.420 nan 0.000 0.240 136 P C -0.264 176.760 177.300 -0.460 0.000 1.190 136 P CA 0.669 63.399 63.100 -0.617 0.000 0.781 136 P CB 0.299 31.546 31.700 -0.756 0.000 0.931 137 W N 0.033 121.338 121.300 0.008 0.000 2.213 137 W HA 0.456 5.114 4.660 -0.002 0.000 0.356 137 W C -0.057 176.311 176.519 -0.252 0.000 1.273 137 W CA 0.056 57.271 57.345 -0.217 0.000 1.391 137 W CB -0.182 29.065 29.460 -0.356 0.000 1.187 137 W HN -0.319 nan 8.180 nan 0.000 0.649 138 T N 1.415 115.793 114.554 -0.294 0.000 2.921 138 T HA 0.399 4.747 4.350 -0.003 0.000 0.297 138 T C -0.631 173.616 174.700 -0.756 0.000 1.013 138 T CA -0.585 61.307 62.100 -0.345 0.000 0.990 138 T CB 1.617 70.420 68.868 -0.108 0.000 1.023 138 T HN 0.374 nan 8.240 nan 0.000 0.447 139 S N 2.555 117.961 115.700 -0.490 0.000 2.540 139 S HA 0.854 5.322 4.470 -0.003 0.000 0.275 139 S C -1.189 173.361 174.600 -0.084 0.000 1.123 139 S CA -0.876 57.077 58.200 -0.412 0.000 0.907 139 S CB 1.168 64.114 63.200 -0.423 0.000 1.081 139 S HN 0.640 nan 8.310 nan 0.000 0.476 140 I N 2.002 122.640 120.570 0.114 0.000 2.534 140 I HA 0.456 4.624 4.170 -0.003 0.000 0.286 140 I C 0.862 177.117 176.117 0.230 0.000 1.094 140 I CA -1.055 60.348 61.300 0.171 0.000 1.055 140 I CB 1.934 40.082 38.000 0.247 0.000 1.225 140 I HN 0.867 nan 8.210 nan 0.000 0.435 141 A N 4.632 127.531 122.820 0.132 0.000 1.872 141 A HA 0.139 4.457 4.320 -0.003 0.000 0.214 141 A C 0.713 178.376 177.584 0.131 0.000 1.187 141 A CA 1.454 53.601 52.037 0.184 0.000 0.614 141 A CB 0.133 19.192 19.000 0.098 0.000 0.826 141 A HN 0.663 nan 8.150 nan 0.000 0.442 142 E N -1.678 118.549 120.200 0.046 0.000 2.352 142 E HA 0.560 4.908 4.350 -0.003 0.000 0.280 142 E C -1.763 174.813 176.600 -0.040 0.000 0.930 142 E CA -0.316 56.091 56.400 0.013 0.000 0.765 142 E CB 1.857 31.557 29.700 -0.001 0.000 1.219 142 E HN 0.317 nan 8.360 nan 0.000 0.434 143 I N 2.344 122.893 120.570 -0.034 0.000 2.499 143 I HA 0.406 4.574 4.170 -0.003 0.000 0.288 143 I C -1.150 175.005 176.117 0.064 0.000 1.048 143 I CA -0.441 60.839 61.300 -0.032 0.000 1.062 143 I CB 0.930 38.828 38.000 -0.170 0.000 1.238 143 I HN 0.276 nan 8.210 nan 0.000 0.426 144 N N 5.668 124.402 118.700 0.057 0.000 2.312 144 N HA 0.591 5.329 4.740 -0.003 0.000 0.296 144 N C -1.540 173.925 175.510 -0.075 0.000 1.193 144 N CA -0.490 52.547 53.050 -0.021 0.000 0.773 144 N CB 2.943 41.285 38.487 -0.243 0.000 1.435 144 N HN 0.193 nan 8.380 nan 0.000 0.484 145 V N 1.919 121.758 119.914 -0.126 0.000 2.604 145 V HA 0.556 4.675 4.120 -0.003 0.000 0.305 145 V C -0.946 174.889 176.094 -0.432 0.000 1.043 145 V CA -0.657 61.590 62.300 -0.088 0.000 0.888 145 V CB 1.170 33.028 31.823 0.059 0.000 0.995 145 V HN 0.457 nan 8.190 nan 0.000 0.429 146 F N 2.429 122.457 119.950 0.129 0.000 2.507 146 F HA 0.721 5.246 4.527 -0.004 0.000 0.327 146 F C 0.311 176.143 175.800 0.054 0.000 1.068 146 F CA -0.700 57.347 58.000 0.078 0.000 0.965 146 F CB 1.691 40.709 39.000 0.030 0.000 1.192 146 F HN 0.569 nan 8.300 nan 0.000 0.476 147 Q N 1.429 121.360 119.800 0.217 0.000 2.387 147 Q HA 0.881 5.219 4.340 -0.003 0.000 0.273 147 Q C -1.354 174.711 176.000 0.109 0.000 1.089 147 Q CA -1.385 54.499 55.803 0.135 0.000 0.824 147 Q CB 2.272 31.072 28.738 0.102 0.000 1.367 147 Q HN 0.767 nan 8.270 nan 0.000 0.443 148 A N 1.293 124.159 122.820 0.077 0.000 2.304 148 A HA 0.346 4.664 4.320 -0.003 0.000 0.271 148 A C 1.004 178.617 177.584 0.048 0.000 1.091 148 A CA -0.023 52.042 52.037 0.046 0.000 0.812 148 A CB 0.573 19.603 19.000 0.051 0.000 1.056 148 A HN 1.016 nan 8.150 nan 0.000 0.489 149 S N 0.059 115.775 115.700 0.027 0.000 2.423 149 S HA 0.072 4.540 4.470 -0.003 0.000 0.231 149 S C 0.755 175.378 174.600 0.038 0.000 1.014 149 S CA 1.002 59.219 58.200 0.028 0.000 0.965 149 S CB -0.676 62.530 63.200 0.010 0.000 0.785 149 S HN 1.982 nan 8.310 nan 0.000 0.495 150 S N -0.972 114.756 115.700 0.046 0.000 2.615 150 S HA 0.593 5.062 4.470 -0.003 0.000 0.269 150 S C -1.669 173.009 174.600 0.130 0.000 1.161 150 S CA -0.989 57.255 58.200 0.073 0.000 0.817 150 S CB 0.997 64.217 63.200 0.033 0.000 1.131 150 S HN 0.358 nan 8.310 nan 0.000 0.467 151 Y N 0.883 121.183 120.300 -0.001 0.000 2.331 151 Y HA 0.677 5.224 4.550 -0.005 0.000 0.334 151 Y C -0.989 174.911 175.900 0.000 0.000 0.960 151 Y CA -0.327 57.775 58.100 0.003 0.000 1.130 151 Y CB 2.092 40.562 38.460 0.016 0.000 1.164 151 Y HN 0.854 nan 8.280 nan 0.000 0.458 152 T N 6.280 120.462 114.554 -0.620 0.000 2.864 152 T HA 0.649 4.997 4.350 -0.003 0.000 0.299 152 T C -0.469 173.754 174.700 -0.796 0.000 1.011 152 T CA -0.496 61.264 62.100 -0.566 0.000 0.975 152 T CB 0.682 69.401 68.868 -0.247 0.000 0.962 152 T HN 0.868 nan 8.240 nan 0.000 0.448 153 A N 5.573 127.924 122.820 -0.781 0.000 2.520 153 A HA 0.507 4.825 4.320 -0.003 0.000 0.245 153 A C -1.891 175.573 177.584 -0.200 0.000 1.072 153 A CA -0.958 50.809 52.037 -0.451 0.000 0.761 153 A CB -0.477 18.402 19.000 -0.203 0.000 1.004 153 A HN 0.521 nan 8.150 nan 0.000 0.499 154 P HA 0.059 nan 4.420 nan 0.000 0.266 154 P C -0.495 176.774 177.300 -0.052 0.000 1.193 154 P CA 0.247 63.326 63.100 -0.034 0.000 0.770 154 P CB 0.340 32.046 31.700 0.009 0.000 0.836 155 Q N 3.144 122.923 119.800 -0.034 0.000 2.259 155 Q HA 0.300 4.638 4.340 -0.003 0.000 0.249 155 Q C -2.016 173.949 176.000 -0.059 0.000 0.914 155 Q CA -1.809 53.970 55.803 -0.039 0.000 0.904 155 Q CB 0.251 28.977 28.738 -0.020 0.000 1.213 155 Q HN 0.377 nan 8.270 nan 0.000 0.428 156 P HA 0.023 nan 4.420 nan 0.000 0.271 156 P C 0.450 177.701 177.300 -0.083 0.000 1.216 156 P CA 0.451 63.492 63.100 -0.099 0.000 0.776 156 P CB 0.715 32.368 31.700 -0.078 0.000 0.881 157 G N 1.942 110.673 108.800 -0.115 0.000 2.176 157 G HA2 -0.239 3.720 3.960 -0.003 0.000 0.253 157 G HA3 -0.239 3.720 3.960 -0.003 0.000 0.253 157 G C 0.352 175.216 174.900 -0.061 0.000 0.979 157 G CA 0.052 45.104 45.100 -0.079 0.000 0.641 157 G HN 0.510 nan 8.290 nan 0.000 0.530 158 L N 0.952 122.145 121.223 -0.049 0.000 2.928 158 L HA 0.511 4.849 4.340 -0.003 0.000 0.246 158 L C 1.413 178.319 176.870 0.059 0.000 1.239 158 L CA 0.118 54.976 54.840 0.030 0.000 1.035 158 L CB -0.255 41.843 42.059 0.064 0.000 1.360 158 L HN 1.010 nan 8.230 nan 0.000 0.529 159 G N 1.069 109.806 108.800 -0.106 0.000 2.814 159 G HA2 -0.161 3.797 3.960 -0.003 0.000 0.677 159 G HA3 -0.161 3.797 3.960 -0.003 0.000 0.677 159 G C -0.792 173.923 174.900 -0.309 0.000 1.429 159 G CA -0.856 44.023 45.100 -0.367 0.000 0.868 159 G HN 0.201 nan 8.290 nan 0.000 0.553 160 R N -1.194 118.971 120.500 -0.558 0.000 2.698 160 R HA 0.492 4.831 4.340 -0.003 0.000 0.275 160 R C -1.235 174.916 176.300 -0.248 0.000 1.001 160 R CA -0.788 55.184 56.100 -0.215 0.000 0.896 160 R CB 1.465 31.686 30.300 -0.131 0.000 1.218 160 R HN 0.561 nan 8.270 nan 0.000 0.462 161 W N 0.413 121.780 121.300 0.112 0.000 2.496 161 W HA 0.631 5.292 4.660 0.001 0.000 0.327 161 W C 0.570 177.145 176.519 0.094 0.000 1.086 161 W CA 0.287 57.732 57.345 0.166 0.000 1.222 161 W CB 2.131 31.709 29.460 0.195 0.000 1.304 161 W HN 0.834 nan 8.180 nan 0.000 0.547 162 G N 3.266 112.261 108.800 0.325 0.000 2.402 162 G HA2 0.069 4.027 3.960 -0.003 0.000 0.666 162 G HA3 0.069 4.027 3.960 -0.003 0.000 0.666 162 G C -2.989 171.982 174.900 0.118 0.000 1.402 162 G CA -1.430 43.795 45.100 0.210 0.000 0.920 162 G HN 0.240 nan 8.290 nan 0.000 0.651 163 P HA 0.523 nan 4.420 nan 0.000 0.293 163 P C -0.038 177.300 177.300 0.064 0.000 1.304 163 P CA -0.091 63.048 63.100 0.066 0.000 0.767 163 P CB 0.659 32.364 31.700 0.009 0.000 1.247 164 T N 0.861 115.452 114.554 0.062 0.000 2.806 164 T HA 0.381 4.729 4.350 -0.003 0.000 0.290 164 T C 0.082 174.748 174.700 -0.056 0.000 0.966 164 T CA -0.118 62.009 62.100 0.045 0.000 1.060 164 T CB -0.017 68.952 68.868 0.168 0.000 0.927 164 T HN 0.117 nan 8.240 nan 0.000 0.485 165 I N 3.775 124.250 120.570 -0.158 0.000 2.328 165 I HA 0.293 4.461 4.170 -0.003 0.000 0.287 165 I C 0.137 176.201 176.117 -0.087 0.000 1.012 165 I CA -1.466 59.681 61.300 -0.254 0.000 1.195 165 I CB 0.831 38.500 38.000 -0.551 0.000 1.350 165 I HN 0.503 nan 8.210 nan 0.000 0.464 166 D N 7.227 127.612 120.400 -0.024 0.000 2.308 166 D HA 0.498 5.136 4.640 -0.003 0.000 0.251 166 D C 0.053 176.438 176.300 0.142 0.000 1.127 166 D CA 0.051 54.132 54.000 0.134 0.000 0.876 166 D CB 1.615 42.530 40.800 0.191 0.000 1.176 166 D HN 0.294 nan 8.370 nan 0.000 0.446 167 L N 3.210 124.594 121.223 0.268 0.000 2.323 167 L HA 0.372 4.710 4.340 -0.003 0.000 0.265 167 L C -1.570 175.535 176.870 0.393 0.000 1.012 167 L CA -1.855 53.160 54.840 0.292 0.000 0.820 167 L CB 2.568 44.789 42.059 0.270 0.000 1.334 167 L HN 0.158 nan 8.230 nan 0.000 0.427 168 P HA 0.046 nan 4.420 nan 0.000 0.241 168 P C -0.195 177.338 177.300 0.388 0.000 1.191 168 P CA 0.846 64.202 63.100 0.426 0.000 0.771 168 P CB 0.331 32.310 31.700 0.465 0.000 0.929 169 I N -5.266 115.546 120.570 0.402 0.000 3.264 169 I HA 0.506 4.674 4.170 -0.003 0.000 0.315 169 I C -0.985 175.236 176.117 0.173 0.000 1.154 169 I CA -1.746 59.733 61.300 0.297 0.000 0.962 169 I CB 2.430 40.524 38.000 0.158 0.000 1.265 169 I HN -0.502 nan 8.210 nan 0.000 0.463 170 V N 3.472 123.316 119.914 -0.116 0.000 2.368 170 V HA 0.328 4.446 4.120 -0.003 0.000 0.266 170 V C -2.092 173.945 176.094 -0.095 0.000 1.045 170 V CA -1.275 60.884 62.300 -0.234 0.000 0.899 170 V CB 0.758 32.367 31.823 -0.357 0.000 1.006 170 V HN 0.591 nan 8.190 nan 0.000 0.470 171 P HA 0.238 nan 4.420 nan 0.000 0.256 171 P C 0.336 177.542 177.300 -0.156 0.000 1.689 171 P CA -0.125 62.947 63.100 -0.046 0.000 1.124 171 P CB 1.073 32.813 31.700 0.066 0.000 1.766 172 A N 2.692 125.371 122.820 -0.235 0.000 2.218 172 A HA 0.471 4.789 4.320 -0.003 0.000 0.209 172 A C 1.008 178.312 177.584 -0.467 0.000 1.168 172 A CA 0.455 52.279 52.037 -0.356 0.000 0.804 172 A CB 0.053 18.798 19.000 -0.425 0.000 0.834 172 A HN 0.513 nan 8.150 nan 0.000 0.482 173 A N -1.001 121.458 122.820 -0.602 0.000 2.455 173 A HA 0.787 5.105 4.320 -0.003 0.000 0.300 173 A C -0.485 176.545 177.584 -0.923 0.000 1.040 173 A CA 0.147 51.634 52.037 -0.917 0.000 0.697 173 A CB 1.075 19.160 19.000 -1.526 0.000 1.265 173 A HN 1.516 nan 8.150 nan 0.000 0.407 174 A N 0.386 122.815 122.820 -0.652 0.000 2.606 174 A HA 1.050 5.368 4.320 -0.003 0.000 0.293 174 A C -0.540 176.954 177.584 -0.151 0.000 1.082 174 A CA -0.031 51.815 52.037 -0.318 0.000 0.685 174 A CB 1.319 20.258 19.000 -0.102 0.000 1.284 174 A HN 2.681 nan 8.150 nan 0.000 0.408 175 A N 0.546 123.362 122.820 -0.007 0.000 2.594 175 A HA 0.694 5.012 4.320 -0.003 0.000 0.295 175 A C -1.271 176.323 177.584 0.017 0.000 1.071 175 A CA -0.482 51.587 52.037 0.053 0.000 0.685 175 A CB 0.791 19.876 19.000 0.142 0.000 1.285 175 A HN 0.786 nan 8.150 nan 0.000 0.405 176 I N 1.213 121.813 120.570 0.050 0.000 2.428 176 I HA 0.243 4.411 4.170 -0.003 0.000 0.289 176 I C 0.317 176.402 176.117 -0.055 0.000 1.019 176 I CA -0.107 61.214 61.300 0.035 0.000 1.351 176 I CB 0.960 39.088 38.000 0.214 0.000 1.412 176 I HN 0.706 nan 8.210 nan 0.000 0.513 177 E N 7.725 127.861 120.200 -0.106 0.000 2.052 177 E HA 0.177 4.525 4.350 -0.003 0.000 0.283 177 E C -1.674 174.740 176.600 -0.309 0.000 1.071 177 E CA -1.448 54.878 56.400 -0.122 0.000 0.851 177 E CB 0.900 30.578 29.700 -0.036 0.000 1.066 177 E HN 0.348 nan 8.360 nan 0.000 0.396 178 P HA -0.206 nan 4.420 nan 0.000 0.216 178 P C 1.546 178.419 177.300 -0.713 0.000 1.153 178 P CA 1.385 63.823 63.100 -1.103 0.000 0.848 178 P CB 0.093 30.864 31.700 -1.548 0.000 0.787 179 T N -3.385 110.809 114.554 -0.600 0.000 2.951 179 T HA -0.061 4.287 4.350 -0.003 0.000 0.268 179 T C 1.796 176.368 174.700 -0.213 0.000 1.073 179 T CA 1.523 63.402 62.100 -0.367 0.000 1.134 179 T CB -1.004 67.689 68.868 -0.293 0.000 0.884 179 T HN 0.194 nan 8.240 nan 0.000 0.479 180 S N -0.219 115.368 115.700 -0.187 0.000 2.502 180 S HA 0.491 4.959 4.470 -0.003 0.000 0.215 180 S C 2.005 176.535 174.600 -0.116 0.000 1.009 180 S CA 0.449 58.575 58.200 -0.123 0.000 0.908 180 S CB -0.252 62.894 63.200 -0.091 0.000 0.801 180 S HN 1.163 nan 8.310 nan 0.000 0.505 181 G N 1.743 110.470 108.800 -0.122 0.000 2.184 181 G HA2 -0.281 3.677 3.960 -0.003 0.000 0.264 181 G HA3 -0.281 3.677 3.960 -0.003 0.000 0.264 181 G C 0.185 175.017 174.900 -0.112 0.000 0.975 181 G CA 0.180 45.236 45.100 -0.073 0.000 0.642 181 G HN 0.573 nan 8.290 nan 0.000 0.536 182 R N -0.373 120.051 120.500 -0.126 0.000 2.582 182 R HA 0.469 4.807 4.340 -0.003 0.000 0.271 182 R C 0.210 176.442 176.300 -0.112 0.000 1.078 182 R CA -0.380 55.633 56.100 -0.145 0.000 1.127 182 R CB 1.209 31.448 30.300 -0.103 0.000 1.038 182 R HN 0.082 nan 8.270 nan 0.000 0.500 183 V N 4.248 124.095 119.914 -0.112 0.000 2.406 183 V HA 0.141 4.259 4.120 -0.003 0.000 0.272 183 V C -0.185 175.877 176.094 -0.053 0.000 1.043 183 V CA -0.583 61.635 62.300 -0.137 0.000 0.915 183 V CB 1.065 32.666 31.823 -0.371 0.000 0.988 183 V HN 0.439 nan 8.190 nan 0.000 0.466 184 L N 7.310 128.510 121.223 -0.038 0.000 2.275 184 L HA 0.680 5.018 4.340 -0.003 0.000 0.288 184 L C -0.299 176.653 176.870 0.136 0.000 1.046 184 L CA 0.370 55.235 54.840 0.041 0.000 0.805 184 L CB 1.006 43.006 42.059 -0.098 0.000 1.193 184 L HN 0.649 nan 8.230 nan 0.000 0.426 185 M N 5.036 124.760 119.600 0.205 0.000 2.591 185 M HA 0.602 5.080 4.480 -0.003 0.000 0.306 185 M C -1.544 174.958 176.300 0.337 0.000 1.190 185 M CA -0.358 55.030 55.300 0.147 0.000 0.889 185 M CB 2.099 34.778 32.600 0.132 0.000 1.728 185 M HN 0.733 nan 8.290 nan 0.000 0.458 186 W N -0.005 121.333 121.300 0.064 0.000 3.118 186 W HA 0.805 5.462 4.660 -0.005 0.000 0.328 186 W C -0.550 175.992 176.519 0.039 0.000 1.239 186 W CA -0.521 56.852 57.345 0.047 0.000 1.176 186 W CB 0.268 29.742 29.460 0.023 0.000 1.433 186 W HN 0.720 nan 8.180 nan 0.000 0.562 187 S N 0.495 116.371 115.700 0.294 0.000 3.128 187 S HA 0.730 5.198 4.470 -0.003 0.000 0.171 187 S C 0.358 175.122 174.600 0.272 0.000 0.707 187 S CA 0.674 58.966 58.200 0.153 0.000 0.851 187 S CB 0.536 63.755 63.200 0.031 0.000 0.872 187 S HN 0.945 nan 8.310 nan 0.000 0.724 188 S N -0.880 114.923 115.700 0.172 0.000 3.497 188 S HA 0.357 4.825 4.470 -0.003 0.000 0.319 188 S C 0.176 174.880 174.600 0.174 0.000 1.195 188 S CA 0.177 58.510 58.200 0.220 0.000 1.118 188 S CB -0.537 62.733 63.200 0.118 0.000 1.495 188 S HN 0.715 nan 8.310 nan 0.000 0.655 189 Y N 1.521 121.856 120.300 0.060 0.000 2.421 189 Y HA 0.481 5.030 4.550 -0.003 0.000 0.292 189 Y C 0.807 176.721 175.900 0.023 0.000 1.136 189 Y CA 0.503 58.627 58.100 0.041 0.000 1.255 189 Y CB -0.261 38.224 38.460 0.043 0.000 0.991 189 Y HN 0.212 nan 8.280 nan 0.000 0.552 190 R N 1.038 121.185 120.500 -0.588 0.000 2.892 190 R HA 0.187 4.525 4.340 -0.003 0.000 0.265 190 R C 0.969 177.090 176.300 -0.297 0.000 1.025 190 R CA -0.144 55.630 56.100 -0.544 0.000 0.982 190 R CB 0.762 30.571 30.300 -0.818 0.000 1.185 190 R HN 0.275 nan 8.270 nan 0.000 0.484 191 N N 0.427 118.926 118.700 -0.335 0.000 2.396 191 N HA -0.144 4.594 4.740 -0.003 0.000 0.180 191 N C 0.155 175.579 175.510 -0.143 0.000 1.028 191 N CA 1.322 54.216 53.050 -0.261 0.000 0.893 191 N CB 0.127 38.240 38.487 -0.623 0.000 0.967 191 N HN 0.621 nan 8.380 nan 0.000 0.440 192 D N -1.375 118.915 120.400 -0.184 0.000 2.582 192 D HA 0.444 5.082 4.640 -0.003 0.000 0.246 192 D C -0.363 175.833 176.300 -0.173 0.000 1.334 192 D CA -0.535 53.376 54.000 -0.148 0.000 0.805 192 D CB 0.179 40.992 40.800 0.022 0.000 1.087 192 D HN 0.346 nan 8.370 nan 0.000 0.499 193 A N -0.285 122.408 122.820 -0.213 0.000 2.608 193 A HA 0.553 4.871 4.320 -0.003 0.000 0.292 193 A C -1.027 176.461 177.584 -0.160 0.000 1.066 193 A CA -0.761 51.147 52.037 -0.214 0.000 0.676 193 A CB 0.381 19.227 19.000 -0.256 0.000 1.277 193 A HN 0.166 nan 8.150 nan 0.000 0.413 194 F N -0.284 119.558 119.950 -0.179 0.000 2.784 194 F HA 0.520 5.045 4.527 -0.003 0.000 0.316 194 F C 0.981 176.871 175.800 0.150 0.000 1.026 194 F CA 0.092 58.019 58.000 -0.121 0.000 1.188 194 F CB -0.250 38.158 39.000 -0.987 0.000 0.999 194 F HN 0.788 nan 8.300 nan 0.000 0.605 195 G N 0.641 108.785 108.800 -1.093 0.000 2.365 195 G HA2 0.371 4.330 3.960 -0.003 0.000 0.249 195 G HA3 0.371 4.330 3.960 -0.003 0.000 0.249 195 G C 1.002 175.800 174.900 -0.171 0.000 1.288 195 G CA 0.189 44.915 45.100 -0.624 0.000 0.887 195 G HN 1.416 nan 8.290 nan 0.000 0.524 196 G N 0.671 109.381 108.800 -0.149 0.000 2.132 196 G HA2 -0.182 3.776 3.960 -0.003 0.000 0.234 196 G HA3 -0.182 3.776 3.960 -0.003 0.000 0.234 196 G C 0.681 175.256 174.900 -0.542 0.000 0.989 196 G CA 0.557 45.538 45.100 -0.199 0.000 0.676 196 G HN 1.557 nan 8.290 nan 0.000 0.522 197 S N 1.046 116.298 115.700 -0.747 0.000 2.549 197 S HA 0.467 4.935 4.470 -0.003 0.000 0.283 197 S C 0.163 174.445 174.600 -0.530 0.000 1.320 197 S CA -0.145 57.317 58.200 -1.230 0.000 1.058 197 S CB 1.080 63.968 63.200 -0.519 0.000 0.882 197 S HN 0.265 nan 8.310 nan 0.000 0.498 198 P HA 0.202 nan 4.420 nan 0.000 0.245 198 P C 0.785 178.029 177.300 -0.094 0.000 1.212 198 P CA 0.602 63.596 63.100 -0.176 0.000 0.774 198 P CB -0.849 30.792 31.700 -0.099 0.000 0.999 199 G N -0.315 108.429 108.800 -0.093 0.000 2.846 199 G HA2 0.102 4.060 3.960 -0.003 0.000 0.660 199 G HA3 0.102 4.060 3.960 -0.003 0.000 0.660 199 G C 0.547 175.473 174.900 0.043 0.000 1.464 199 G CA -0.099 45.010 45.100 0.014 0.000 0.891 199 G HN 0.649 nan 8.290 nan 0.000 0.552 200 G N -1.315 107.532 108.800 0.078 0.000 2.199 200 G HA2 0.019 3.977 3.960 -0.003 0.000 0.254 200 G HA3 0.019 3.977 3.960 -0.003 0.000 0.254 200 G C 0.476 175.405 174.900 0.050 0.000 0.982 200 G CA 1.150 46.289 45.100 0.064 0.000 0.632 200 G HN 2.274 nan 8.290 nan 0.000 0.529 201 I N 0.416 121.025 120.570 0.065 0.000 2.722 201 I HA 0.686 4.854 4.170 -0.003 0.000 0.295 201 I C -1.174 174.971 176.117 0.047 0.000 1.161 201 I CA -0.580 60.747 61.300 0.045 0.000 1.032 201 I CB 2.218 40.274 38.000 0.093 0.000 1.244 201 I HN -0.001 nan 8.210 nan 0.000 0.421 202 T N 7.317 121.840 114.554 -0.052 0.000 2.881 202 T HA 0.480 4.828 4.350 -0.003 0.000 0.290 202 T C -0.853 173.822 174.700 -0.041 0.000 1.000 202 T CA -0.390 61.671 62.100 -0.066 0.000 0.978 202 T CB 1.606 70.305 68.868 -0.282 0.000 0.997 202 T HN 0.309 nan 8.240 nan 0.000 0.443 203 L N 3.971 125.222 121.223 0.046 0.000 2.290 203 L HA 0.571 4.910 4.340 -0.003 0.000 0.284 203 L C 0.937 177.891 176.870 0.140 0.000 1.078 203 L CA 0.155 55.045 54.840 0.083 0.000 0.815 203 L CB 1.102 43.218 42.059 0.096 0.000 1.162 203 L HN 0.875 nan 8.230 nan 0.000 0.435 204 T N 0.107 114.746 114.554 0.141 0.000 2.942 204 T HA 0.839 5.187 4.350 -0.003 0.000 0.289 204 T C -0.366 174.467 174.700 0.222 0.000 1.044 204 T CA -0.744 61.491 62.100 0.225 0.000 1.023 204 T CB 1.830 70.832 68.868 0.223 0.000 1.123 204 T HN 0.498 nan 8.240 nan 0.000 0.512 205 S N 0.195 116.039 115.700 0.240 0.000 2.537 205 S HA 0.715 5.184 4.470 -0.003 0.000 0.270 205 S C -1.238 173.486 174.600 0.207 0.000 1.142 205 S CA -0.513 57.819 58.200 0.220 0.000 0.870 205 S CB 1.290 64.628 63.200 0.231 0.000 1.112 205 S HN 1.478 nan 8.310 nan 0.000 0.466 206 S N 2.399 118.213 115.700 0.190 0.000 2.548 206 S HA 0.790 5.258 4.470 -0.003 0.000 0.286 206 S C -1.579 173.159 174.600 0.231 0.000 1.098 206 S CA -0.771 57.525 58.200 0.161 0.000 0.930 206 S CB 1.289 64.544 63.200 0.093 0.000 1.070 206 S HN 0.859 nan 8.310 nan 0.000 0.480 207 W N 2.402 123.700 121.300 -0.003 0.000 2.739 207 W HA 0.586 5.245 4.660 -0.001 0.000 0.331 207 W C -1.682 174.818 176.519 -0.032 0.000 1.049 207 W CA -0.580 56.767 57.345 0.003 0.000 1.234 207 W CB 1.638 31.123 29.460 0.041 0.000 1.404 207 W HN 0.749 nan 8.180 nan 0.000 0.477 208 D N 7.740 127.753 120.400 -0.645 0.000 2.454 208 D HA 0.298 4.936 4.640 -0.003 0.000 0.225 208 D C -1.615 174.022 176.300 -1.104 0.000 1.081 208 D CA -2.353 51.253 54.000 -0.657 0.000 0.864 208 D CB 2.243 42.855 40.800 -0.313 0.000 1.040 208 D HN 0.100 nan 8.370 nan 0.000 0.517 209 P HA -0.140 nan 4.420 nan 0.000 0.219 209 P C 1.324 178.340 177.300 -0.474 0.000 1.146 209 P CA 0.928 63.326 63.100 -1.171 0.000 0.808 209 P CB 0.254 31.526 31.700 -0.714 0.000 0.779 210 S N -1.115 114.369 115.700 -0.360 0.000 2.377 210 S HA -0.091 4.377 4.470 -0.003 0.000 0.223 210 S C 1.939 176.453 174.600 -0.143 0.000 1.030 210 S CA 1.752 59.840 58.200 -0.186 0.000 0.970 210 S CB -1.833 61.279 63.200 -0.146 0.000 0.830 210 S HN 0.277 nan 8.310 nan 0.000 0.473 211 T N -3.166 111.286 114.554 -0.170 0.000 3.037 211 T HA 0.469 4.817 4.350 -0.003 0.000 0.251 211 T C 1.722 176.386 174.700 -0.061 0.000 1.079 211 T CA 0.900 62.941 62.100 -0.097 0.000 1.067 211 T CB -0.293 68.525 68.868 -0.083 0.000 0.948 211 T HN 1.296 nan 8.240 nan 0.000 0.496 212 G N 1.561 110.302 108.800 -0.099 0.000 2.184 212 G HA2 -0.223 3.735 3.960 -0.003 0.000 0.264 212 G HA3 -0.223 3.735 3.960 -0.003 0.000 0.264 212 G C 0.065 175.067 174.900 0.170 0.000 0.975 212 G CA 0.185 45.366 45.100 0.136 0.000 0.642 212 G HN 0.674 nan 8.290 nan 0.000 0.536 213 I N 1.123 121.713 120.570 0.034 0.000 2.496 213 I HA 0.344 4.512 4.170 -0.003 0.000 0.285 213 I C 0.565 176.785 176.117 0.172 0.000 1.080 213 I CA -0.505 60.844 61.300 0.082 0.000 1.404 213 I CB 1.422 39.437 38.000 0.026 0.000 1.403 213 I HN -0.117 nan 8.210 nan 0.000 0.539 214 V N 6.338 126.376 119.914 0.208 0.000 2.370 214 V HA 0.350 4.468 4.120 -0.003 0.000 0.283 214 V C 0.053 176.245 176.094 0.163 0.000 1.023 214 V CA -0.268 62.177 62.300 0.242 0.000 0.857 214 V CB 1.394 33.355 31.823 0.230 0.000 0.985 214 V HN 0.889 nan 8.190 nan 0.000 0.443 215 S N 3.461 119.256 115.700 0.160 0.000 2.600 215 S HA 0.803 5.271 4.470 -0.003 0.000 0.300 215 S C -1.267 173.430 174.600 0.162 0.000 1.087 215 S CA -1.000 57.282 58.200 0.137 0.000 0.965 215 S CB 2.369 65.634 63.200 0.108 0.000 1.089 215 S HN 0.809 nan 8.310 nan 0.000 0.496 216 D N -0.155 120.338 120.400 0.156 0.000 2.575 216 D HA 0.585 5.223 4.640 -0.003 0.000 0.236 216 D C -0.658 175.733 176.300 0.152 0.000 1.075 216 D CA -0.730 53.376 54.000 0.177 0.000 0.860 216 D CB 2.052 42.983 40.800 0.218 0.000 1.475 216 D HN 0.691 nan 8.370 nan 0.000 0.474 217 R N 0.379 120.972 120.500 0.155 0.000 2.535 217 R HA 0.390 4.728 4.340 -0.003 0.000 0.274 217 R C -1.521 174.842 176.300 0.105 0.000 1.090 217 R CA -0.431 55.748 56.100 0.132 0.000 0.930 217 R CB 1.828 32.220 30.300 0.153 0.000 1.223 217 R HN 0.418 nan 8.270 nan 0.000 0.441 218 T N 3.378 117.981 114.554 0.081 0.000 2.806 218 T HA 0.344 4.692 4.350 -0.003 0.000 0.290 218 T C -0.553 174.137 174.700 -0.017 0.000 0.966 218 T CA -0.346 61.778 62.100 0.041 0.000 1.060 218 T CB 1.254 70.159 68.868 0.061 0.000 0.927 218 T HN 0.261 nan 8.240 nan 0.000 0.485 219 V N 3.963 123.805 119.914 -0.119 0.000 2.417 219 V HA 0.472 4.590 4.120 -0.003 0.000 0.291 219 V C 1.136 177.135 176.094 -0.158 0.000 1.024 219 V CA -0.550 61.620 62.300 -0.217 0.000 0.861 219 V CB 1.425 32.875 31.823 -0.622 0.000 0.985 219 V HN 1.145 nan 8.190 nan 0.000 0.436 220 T N 0.438 114.948 114.554 -0.073 0.000 2.986 220 T HA 0.018 4.366 4.350 -0.003 0.000 0.264 220 T C 1.436 176.134 174.700 -0.002 0.000 0.964 220 T CA 0.780 62.864 62.100 -0.028 0.000 0.895 220 T CB 0.690 69.563 68.868 0.010 0.000 1.163 220 T HN 0.267 nan 8.240 nan 0.000 0.517 221 V N 3.521 123.440 119.914 0.007 0.000 2.568 221 V HA -0.075 4.043 4.120 -0.003 0.000 0.253 221 V C 2.475 178.602 176.094 0.056 0.000 1.072 221 V CA 2.597 64.926 62.300 0.047 0.000 1.084 221 V CB -0.675 31.197 31.823 0.081 0.000 0.676 221 V HN 0.872 nan 8.190 nan 0.000 0.469 222 T N -3.552 111.024 114.554 0.037 0.000 3.086 222 T HA 0.144 4.492 4.350 -0.003 0.000 0.250 222 T C 0.784 175.529 174.700 0.075 0.000 1.074 222 T CA 0.117 62.263 62.100 0.078 0.000 0.988 222 T CB -0.335 68.605 68.868 0.120 0.000 0.988 222 T HN 0.591 nan 8.240 nan 0.000 0.530 223 K N 1.121 121.551 120.400 0.050 0.000 3.156 223 K HA -0.240 4.078 4.320 -0.003 0.000 0.266 223 K C -0.340 176.320 176.600 0.100 0.000 0.966 223 K CA 0.684 57.003 56.287 0.054 0.000 0.719 223 K CB -2.201 30.322 32.500 0.039 0.000 1.333 223 K HN 0.862 nan 8.250 nan 0.000 0.468 224 H N 0.163 119.207 119.070 -0.043 0.000 2.934 224 H HA 0.142 4.696 4.556 -0.003 0.000 0.340 224 H C -1.385 173.915 175.328 -0.047 0.000 1.008 224 H CA -1.016 55.009 56.048 -0.039 0.000 1.317 224 H CB 1.343 31.068 29.762 -0.062 0.000 1.670 224 H HN 0.173 nan 8.280 nan 0.000 0.516 225 D N 5.825 126.357 120.400 0.220 0.000 2.441 225 D HA 0.059 4.697 4.640 -0.003 0.000 0.221 225 D C 0.553 176.941 176.300 0.146 0.000 1.156 225 D CA -0.327 53.769 54.000 0.160 0.000 0.896 225 D CB 0.679 41.615 40.800 0.226 0.000 1.028 225 D HN 0.639 nan 8.370 nan 0.000 0.509 226 M N 3.456 122.970 119.600 -0.144 0.000 2.696 226 M HA 0.062 4.540 4.480 -0.003 0.000 0.220 226 M C 0.330 176.805 176.300 0.292 0.000 1.133 226 M CA -0.183 54.977 55.300 -0.233 0.000 1.016 226 M CB -0.265 31.901 32.600 -0.724 0.000 1.740 226 M HN 0.308 nan 8.290 nan 0.000 0.502 227 F N -0.379 119.688 119.950 0.196 0.000 2.429 227 F HA 0.124 4.648 4.527 -0.004 0.000 0.348 227 F C 0.897 176.725 175.800 0.046 0.000 1.109 227 F CA -0.388 57.700 58.000 0.147 0.000 1.232 227 F CB 0.497 39.592 39.000 0.159 0.000 1.157 227 F HN 0.208 nan 8.300 nan 0.000 0.564 228 C N 4.521 123.236 119.300 -0.975 0.000 4.424 228 C HA -0.120 4.338 4.460 -0.003 0.000 0.304 228 C C -2.305 172.508 174.990 -0.295 0.000 1.344 228 C CA 0.039 58.514 59.018 -0.905 0.000 2.033 228 C CB -2.929 24.072 27.740 -1.232 0.000 1.264 228 C HN 0.740 nan 8.230 nan 0.000 0.750 229 P HA 0.575 nan 4.420 nan 0.000 0.288 229 P C 0.049 177.363 177.300 0.022 0.000 1.297 229 P CA 0.215 63.338 63.100 0.039 0.000 0.864 229 P CB 1.146 32.956 31.700 0.183 0.000 1.237 230 G N 0.056 108.894 108.800 0.063 0.000 2.420 230 G HA2 0.607 4.565 3.960 -0.003 0.000 0.284 230 G HA3 0.607 4.565 3.960 -0.003 0.000 0.284 230 G C -0.551 174.429 174.900 0.134 0.000 1.177 230 G CA -0.684 44.456 45.100 0.066 0.000 0.841 230 G HN 0.405 nan 8.290 nan 0.000 0.527 231 I N 0.536 121.184 120.570 0.131 0.000 2.534 231 I HA 0.422 4.590 4.170 -0.003 0.000 0.288 231 I C -0.480 175.721 176.117 0.141 0.000 1.077 231 I CA -0.555 60.851 61.300 0.177 0.000 1.051 231 I CB 2.410 40.536 38.000 0.211 0.000 1.234 231 I HN 0.334 nan 8.210 nan 0.000 0.425 232 S N 5.805 121.599 115.700 0.156 0.000 2.536 232 S HA 0.526 4.994 4.470 -0.003 0.000 0.271 232 S C -0.716 173.970 174.600 0.144 0.000 1.134 232 S CA -0.673 57.612 58.200 0.142 0.000 0.897 232 S CB 2.354 65.649 63.200 0.158 0.000 1.094 232 S HN 0.711 nan 8.310 nan 0.000 0.473 233 M N 3.970 123.649 119.600 0.132 0.000 2.084 233 M HA 0.314 4.792 4.480 -0.003 0.000 0.351 233 M C -0.321 176.061 176.300 0.137 0.000 1.240 233 M CA -0.404 54.977 55.300 0.135 0.000 1.083 233 M CB 0.084 32.763 32.600 0.132 0.000 1.593 233 M HN 0.744 nan 8.290 nan 0.000 0.463 234 D N 3.868 124.354 120.400 0.143 0.000 2.398 234 D HA 0.220 4.858 4.640 -0.003 0.000 0.264 234 D C 1.165 177.531 176.300 0.110 0.000 1.263 234 D CA -0.027 54.060 54.000 0.145 0.000 1.037 234 D CB 0.015 40.927 40.800 0.187 0.000 1.101 234 D HN 0.684 nan 8.370 nan 0.000 0.551 235 G N -1.003 107.851 108.800 0.090 0.000 2.470 235 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.220 235 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.220 235 G C 1.128 176.042 174.900 0.023 0.000 1.121 235 G CA 0.274 45.410 45.100 0.060 0.000 0.766 235 G HN 0.454 nan 8.290 nan 0.000 0.553 236 N N 0.370 119.088 118.700 0.030 0.000 2.398 236 N HA 0.112 4.850 4.740 -0.003 0.000 0.188 236 N C 1.733 177.259 175.510 0.027 0.000 1.122 236 N CA 0.890 53.947 53.050 0.012 0.000 0.866 236 N CB 0.300 38.803 38.487 0.026 0.000 0.970 236 N HN 0.399 nan 8.380 nan 0.000 0.462 237 G N 0.474 109.314 108.800 0.066 0.000 2.157 237 G HA2 -0.270 3.688 3.960 -0.003 0.000 0.248 237 G HA3 -0.270 3.688 3.960 -0.003 0.000 0.248 237 G C -0.093 174.928 174.900 0.201 0.000 0.979 237 G CA -0.190 45.041 45.100 0.219 0.000 0.650 237 G HN 0.377 nan 8.290 nan 0.000 0.529 238 Q N -0.304 119.564 119.800 0.113 0.000 2.259 238 Q HA 0.585 4.923 4.340 -0.003 0.000 0.249 238 Q C 0.478 176.532 176.000 0.090 0.000 0.914 238 Q CA -0.321 55.517 55.803 0.058 0.000 0.904 238 Q CB 1.427 30.191 28.738 0.043 0.000 1.213 238 Q HN 0.462 nan 8.270 nan 0.000 0.428 239 I N 2.503 123.122 120.570 0.081 0.000 2.352 239 I HA 0.137 4.305 4.170 -0.003 0.000 0.290 239 I C -0.417 175.767 176.117 0.111 0.000 1.036 239 I CA -0.617 60.755 61.300 0.120 0.000 1.336 239 I CB 1.077 39.161 38.000 0.141 0.000 1.407 239 I HN 0.251 nan 8.210 nan 0.000 0.497 240 V N 7.784 127.772 119.914 0.124 0.000 2.333 240 V HA 0.247 4.366 4.120 -0.003 0.000 0.274 240 V C 0.105 176.301 176.094 0.170 0.000 1.028 240 V CA -0.598 61.760 62.300 0.097 0.000 0.851 240 V CB 1.386 33.217 31.823 0.014 0.000 1.000 240 V HN 0.390 nan 8.190 nan 0.000 0.456 241 V N 4.906 124.943 119.914 0.204 0.000 2.347 241 V HA 0.576 4.694 4.120 -0.003 0.000 0.280 241 V C 0.344 176.610 176.094 0.287 0.000 1.021 241 V CA -0.320 62.123 62.300 0.237 0.000 0.847 241 V CB 1.710 33.629 31.823 0.160 0.000 0.990 241 V HN 1.004 nan 8.190 nan 0.000 0.444 242 T N 1.406 116.104 114.554 0.239 0.000 2.841 242 T HA 0.807 5.155 4.350 -0.003 0.000 0.283 242 T C 0.474 175.270 174.700 0.160 0.000 1.000 242 T CA 0.107 62.315 62.100 0.180 0.000 0.977 242 T CB 1.647 70.533 68.868 0.030 0.000 0.979 242 T HN 1.590 nan 8.240 nan 0.000 0.446 243 G N 1.758 110.609 108.800 0.086 0.000 2.564 243 G HA2 0.248 4.206 3.960 -0.003 0.000 0.273 243 G HA3 0.248 4.206 3.960 -0.003 0.000 0.273 243 G C 0.606 175.672 174.900 0.276 0.000 1.242 243 G CA 0.764 45.916 45.100 0.087 0.000 0.951 243 G HN 2.605 nan 8.290 nan 0.000 0.564 244 G N -1.270 107.655 108.800 0.208 0.000 2.603 244 G HA2 -0.122 3.836 3.960 -0.003 0.000 0.245 244 G HA3 -0.122 3.836 3.960 -0.003 0.000 0.245 244 G C 0.908 176.070 174.900 0.437 0.000 1.195 244 G CA 0.797 46.065 45.100 0.280 0.000 0.953 244 G HN 1.711 nan 8.290 nan 0.000 0.566 245 N N 1.885 120.887 118.700 0.502 0.000 2.149 245 N HA 0.008 4.747 4.740 -0.003 0.000 0.188 245 N C 0.372 176.051 175.510 0.282 0.000 1.019 245 N CA 1.689 55.023 53.050 0.474 0.000 0.857 245 N CB -0.083 38.695 38.487 0.484 0.000 0.997 245 N HN 0.526 nan 8.380 nan 0.000 0.426 246 D N -0.191 120.366 120.400 0.261 0.000 2.479 246 D HA 0.260 4.898 4.640 -0.003 0.000 0.247 246 D C 0.465 176.775 176.300 0.016 0.000 1.119 246 D CA -0.179 53.885 54.000 0.106 0.000 0.922 246 D CB 1.183 42.031 40.800 0.080 0.000 1.014 246 D HN 0.043 nan 8.370 nan 0.000 0.510 247 A N 2.453 125.293 122.820 0.033 0.000 2.032 247 A HA -0.210 4.108 4.320 -0.003 0.000 0.221 247 A C 1.848 179.379 177.584 -0.087 0.000 1.165 247 A CA 1.390 53.426 52.037 -0.001 0.000 0.645 247 A CB 0.041 19.048 19.000 0.012 0.000 0.807 247 A HN 0.285 nan 8.150 nan 0.000 0.453 248 K N -0.892 119.434 120.400 -0.123 0.000 2.358 248 K HA 0.080 4.398 4.320 -0.003 0.000 0.197 248 K C -0.221 176.239 176.600 -0.233 0.000 1.025 248 K CA -0.128 56.056 56.287 -0.171 0.000 1.104 248 K CB 0.299 32.732 32.500 -0.112 0.000 0.855 248 K HN 0.191 nan 8.250 nan 0.000 0.531 249 K N 1.112 121.311 120.400 -0.335 0.000 2.126 249 K HA 0.191 4.509 4.320 -0.003 0.000 0.257 249 K C -0.131 176.228 176.600 -0.402 0.000 1.007 249 K CA 0.050 56.068 56.287 -0.448 0.000 0.928 249 K CB 1.417 33.445 32.500 -0.787 0.000 1.013 249 K HN -0.185 nan 8.250 nan 0.000 0.473 250 T N 0.643 115.112 114.554 -0.142 0.000 2.841 250 T HA 0.346 4.694 4.350 -0.003 0.000 0.285 250 T C -0.599 174.217 174.700 0.194 0.000 0.991 250 T CA -0.624 61.532 62.100 0.093 0.000 0.966 250 T CB 1.246 70.252 68.868 0.229 0.000 0.962 250 T HN 0.320 nan 8.240 nan 0.000 0.438 251 S N 2.712 118.607 115.700 0.325 0.000 2.500 251 S HA 0.685 5.153 4.470 -0.003 0.000 0.301 251 S C -0.713 174.077 174.600 0.317 0.000 1.092 251 S CA -0.802 57.609 58.200 0.352 0.000 1.030 251 S CB 0.782 64.198 63.200 0.359 0.000 1.031 251 S HN 0.488 nan 8.310 nan 0.000 0.483 252 L N 3.151 124.543 121.223 0.281 0.000 2.341 252 L HA 0.536 4.874 4.340 -0.003 0.000 0.278 252 L C -1.150 175.730 176.870 0.017 0.000 1.005 252 L CA -0.916 54.006 54.840 0.136 0.000 0.818 252 L CB 1.021 43.131 42.059 0.085 0.000 1.259 252 L HN 0.664 nan 8.230 nan 0.000 0.418 253 Y N 2.063 122.158 120.300 -0.341 0.000 2.331 253 Y HA 0.364 4.912 4.550 -0.005 0.000 0.338 253 Y C -0.673 174.990 175.900 -0.395 0.000 0.976 253 Y CA -0.843 56.787 58.100 -0.785 0.000 1.137 253 Y CB 1.558 39.226 38.460 -1.319 0.000 1.172 253 Y HN 0.595 nan 8.280 nan 0.000 0.478 254 D N 3.525 123.259 120.400 -1.109 0.000 2.392 254 D HA 0.174 4.812 4.640 -0.003 0.000 0.228 254 D C 0.642 176.316 176.300 -1.043 0.000 1.074 254 D CA -0.022 53.542 54.000 -0.726 0.000 0.838 254 D CB 1.674 42.236 40.800 -0.396 0.000 1.067 254 D HN 0.564 nan 8.370 nan 0.000 0.511 255 S N 2.256 117.544 115.700 -0.687 0.000 2.399 255 S HA -0.150 4.319 4.470 -0.003 0.000 0.231 255 S C 1.878 176.303 174.600 -0.291 0.000 1.022 255 S CA 1.349 59.307 58.200 -0.403 0.000 0.983 255 S CB -0.034 63.020 63.200 -0.244 0.000 0.803 255 S HN 0.515 nan 8.310 nan 0.000 0.480 256 S N 1.023 116.573 115.700 -0.250 0.000 2.353 256 S HA -0.111 4.357 4.470 -0.003 0.000 0.222 256 S C 2.057 176.572 174.600 -0.141 0.000 1.035 256 S CA 1.782 59.890 58.200 -0.154 0.000 1.025 256 S CB -0.392 62.752 63.200 -0.094 0.000 0.902 256 S HN 0.837 nan 8.310 nan 0.000 0.440 257 S N 0.154 115.747 115.700 -0.178 0.000 2.556 257 S HA 0.124 4.592 4.470 -0.003 0.000 0.216 257 S C 0.334 174.847 174.600 -0.145 0.000 0.970 257 S CA 0.815 58.934 58.200 -0.135 0.000 0.912 257 S CB -0.161 62.968 63.200 -0.118 0.000 0.790 257 S HN 0.402 nan 8.310 nan 0.000 0.504 258 D N 1.516 121.777 120.400 -0.232 0.000 2.689 258 D HA -0.166 4.472 4.640 -0.003 0.000 0.237 258 D C -0.119 176.114 176.300 -0.112 0.000 1.148 258 D CA 1.008 54.919 54.000 -0.149 0.000 0.656 258 D CB -1.443 39.375 40.800 0.030 0.000 1.050 258 D HN 0.723 nan 8.370 nan 0.000 0.426 259 S N -1.412 114.080 115.700 -0.346 0.000 2.627 259 S HA 0.781 5.249 4.470 -0.003 0.000 0.283 259 S C -0.691 173.761 174.600 -0.248 0.000 1.127 259 S CA -1.109 57.010 58.200 -0.135 0.000 0.863 259 S CB 1.054 64.227 63.200 -0.044 0.000 1.121 259 S HN 0.222 nan 8.310 nan 0.000 0.479 260 W N 0.867 122.186 121.300 0.033 0.000 2.391 260 W HA 0.695 5.353 4.660 -0.003 0.000 0.311 260 W C -0.561 175.971 176.519 0.021 0.000 1.087 260 W CA -0.620 56.755 57.345 0.051 0.000 1.209 260 W CB 1.018 30.520 29.460 0.070 0.000 1.273 260 W HN 0.503 nan 8.180 nan 0.000 0.482 261 I N 5.597 126.312 120.570 0.242 0.000 2.465 261 I HA 0.329 4.497 4.170 -0.003 0.000 0.291 261 I C -2.137 174.089 176.117 0.181 0.000 1.014 261 I CA -2.649 58.746 61.300 0.158 0.000 1.093 261 I CB 1.935 39.983 38.000 0.081 0.000 1.267 261 I HN 0.025 nan 8.210 nan 0.000 0.431 262 P HA 0.158 nan 4.420 nan 0.000 0.271 262 P C -0.073 177.309 177.300 0.137 0.000 1.216 262 P CA 0.005 63.189 63.100 0.139 0.000 0.771 262 P CB 0.764 32.528 31.700 0.106 0.000 0.864 263 G N 3.239 112.126 108.800 0.146 0.000 2.820 263 G HA2 0.648 4.606 3.960 -0.003 0.000 0.291 263 G HA3 0.648 4.606 3.960 -0.003 0.000 0.291 263 G C -2.703 172.307 174.900 0.183 0.000 1.323 263 G CA -1.694 43.502 45.100 0.160 0.000 1.055 263 G HN 0.320 nan 8.290 nan 0.000 0.520 264 P HA 0.247 nan 4.420 nan 0.000 0.277 264 P C -1.025 176.468 177.300 0.322 0.000 1.240 264 P CA -0.416 62.862 63.100 0.297 0.000 0.798 264 P CB 1.149 33.081 31.700 0.387 0.000 0.979 265 D N 1.390 121.902 120.400 0.187 0.000 2.382 265 D HA 0.177 4.815 4.640 -0.003 0.000 0.245 265 D C 0.861 177.139 176.300 -0.036 0.000 1.120 265 D CA 0.235 54.256 54.000 0.035 0.000 0.890 265 D CB 0.234 41.034 40.800 0.001 0.000 1.201 265 D HN 0.263 nan 8.370 nan 0.000 0.433 266 M N 1.666 121.012 119.600 -0.424 0.000 2.207 266 M HA -0.039 4.440 4.480 -0.003 0.000 0.311 266 M C 1.527 177.669 176.300 -0.263 0.000 1.127 266 M CA -0.111 54.712 55.300 -0.796 0.000 1.181 266 M CB 0.569 32.650 32.600 -0.864 0.000 1.409 266 M HN 0.258 nan 8.290 nan 0.000 0.461 267 Q N 0.409 120.113 119.800 -0.161 0.000 2.187 267 Q HA 0.081 4.419 4.340 -0.003 0.000 0.199 267 Q C -0.155 175.819 176.000 -0.043 0.000 0.957 267 Q CA 0.899 56.685 55.803 -0.028 0.000 0.857 267 Q CB 0.027 28.793 28.738 0.047 0.000 0.929 267 Q HN 0.517 nan 8.270 nan 0.000 0.453 268 V N 0.578 120.432 119.914 -0.101 0.000 2.588 268 V HA 0.567 4.685 4.120 -0.003 0.000 0.304 268 V C -0.425 175.608 176.094 -0.102 0.000 1.042 268 V CA -1.239 61.045 62.300 -0.028 0.000 0.877 268 V CB 1.609 33.439 31.823 0.012 0.000 0.996 268 V HN 0.109 nan 8.190 nan 0.000 0.425 269 A N 5.598 128.402 122.820 -0.028 0.000 2.450 269 A HA 0.746 5.064 4.320 -0.003 0.000 0.255 269 A C 0.243 177.764 177.584 -0.105 0.000 1.096 269 A CA -0.001 51.998 52.037 -0.064 0.000 0.778 269 A CB 0.184 19.185 19.000 0.002 0.000 1.031 269 A HN 0.893 nan 8.150 nan 0.000 0.494 270 R N 0.687 121.117 120.500 -0.116 0.000 2.764 270 R HA 0.696 5.034 4.340 -0.003 0.000 0.270 270 R C -0.404 175.883 176.300 -0.021 0.000 1.014 270 R CA -0.506 55.523 56.100 -0.117 0.000 0.904 270 R CB 2.614 32.816 30.300 -0.162 0.000 1.236 270 R HN 0.952 nan 8.270 nan 0.000 0.466 271 G N 0.216 109.023 108.800 0.012 0.000 2.719 271 G HA2 0.475 4.433 3.960 -0.003 0.000 0.298 271 G HA3 0.475 4.433 3.960 -0.003 0.000 0.298 271 G C -1.147 173.803 174.900 0.084 0.000 1.411 271 G CA -0.319 44.862 45.100 0.136 0.000 0.991 271 G HN 0.567 nan 8.290 nan 0.000 0.509 272 Y N -0.692 119.464 120.300 -0.241 0.000 4.729 272 Y HA -0.211 4.338 4.550 -0.003 0.000 0.239 272 Y C 1.405 177.125 175.900 -0.299 0.000 1.043 272 Y CA 0.301 58.177 58.100 -0.374 0.000 2.045 272 Y CB -2.284 35.846 38.460 -0.551 0.000 1.599 272 Y HN 0.847 nan 8.280 nan 0.000 0.655 273 Q N 0.118 119.889 119.800 -0.049 0.000 2.317 273 Q HA 0.615 4.953 4.340 -0.003 0.000 0.229 273 Q C 0.032 176.013 176.000 -0.032 0.000 0.984 273 Q CA -0.224 55.529 55.803 -0.082 0.000 0.911 273 Q CB 1.922 30.593 28.738 -0.112 0.000 1.217 273 Q HN 0.242 nan 8.270 nan 0.000 0.501 274 S N 0.620 116.303 115.700 -0.028 0.000 2.608 274 S HA 0.593 5.061 4.470 -0.003 0.000 0.291 274 S C -0.735 173.870 174.600 0.009 0.000 1.146 274 S CA -0.532 57.673 58.200 0.009 0.000 1.043 274 S CB 1.230 64.440 63.200 0.016 0.000 1.037 274 S HN 0.736 nan 8.310 nan 0.000 0.520 275 S N 0.766 116.498 115.700 0.052 0.000 2.568 275 S HA 0.909 5.377 4.470 -0.003 0.000 0.293 275 S C -0.932 173.750 174.600 0.135 0.000 1.089 275 S CA -0.937 57.328 58.200 0.109 0.000 0.945 275 S CB 1.804 65.098 63.200 0.157 0.000 1.077 275 S HN 0.926 nan 8.310 nan 0.000 0.485 276 A N 1.565 124.513 122.820 0.214 0.000 2.398 276 A HA 0.740 5.058 4.320 -0.003 0.000 0.301 276 A C -0.078 177.646 177.584 0.232 0.000 1.041 276 A CA -0.774 51.380 52.037 0.195 0.000 0.711 276 A CB 1.120 20.241 19.000 0.201 0.000 1.240 276 A HN 0.782 nan 8.150 nan 0.000 0.420 277 T N 3.299 117.967 114.554 0.190 0.000 2.919 277 T HA 0.396 4.744 4.350 -0.003 0.000 0.302 277 T C 0.504 175.326 174.700 0.204 0.000 1.031 277 T CA 0.550 62.765 62.100 0.191 0.000 1.127 277 T CB 0.131 69.097 68.868 0.163 0.000 0.952 277 T HN 0.586 nan 8.240 nan 0.000 0.540 278 M N 1.425 121.137 119.600 0.187 0.000 2.613 278 M HA 0.242 4.720 4.480 -0.003 0.000 0.301 278 M C 1.925 178.314 176.300 0.147 0.000 1.205 278 M CA -0.704 54.700 55.300 0.172 0.000 0.950 278 M CB 1.281 33.973 32.600 0.155 0.000 1.585 278 M HN 0.773 nan 8.290 nan 0.000 0.490 279 S N -0.375 115.402 115.700 0.129 0.000 2.440 279 S HA -0.169 4.299 4.470 -0.003 0.000 0.240 279 S C 0.776 175.418 174.600 0.071 0.000 1.014 279 S CA 1.690 59.945 58.200 0.092 0.000 0.980 279 S CB -0.678 62.552 63.200 0.049 0.000 0.775 279 S HN 0.830 nan 8.310 nan 0.000 0.499 280 D N -0.497 119.945 120.400 0.069 0.000 2.388 280 D HA 0.357 4.995 4.640 -0.003 0.000 0.221 280 D C 1.305 177.630 176.300 0.042 0.000 1.133 280 D CA 0.286 54.312 54.000 0.045 0.000 0.831 280 D CB -0.328 40.492 40.800 0.033 0.000 0.962 280 D HN 0.479 nan 8.370 nan 0.000 0.502 281 G N 0.389 109.230 108.800 0.068 0.000 2.225 281 G HA2 -0.342 3.616 3.960 -0.003 0.000 0.254 281 G HA3 -0.342 3.616 3.960 -0.003 0.000 0.254 281 G C 0.550 175.485 174.900 0.060 0.000 0.988 281 G CA 0.050 45.188 45.100 0.064 0.000 0.625 281 G HN 0.469 nan 8.290 nan 0.000 0.527 282 R N -0.426 120.103 120.500 0.049 0.000 2.726 282 R HA 0.525 4.864 4.340 -0.003 0.000 0.272 282 R C -0.134 176.245 176.300 0.132 0.000 1.097 282 R CA 0.114 56.236 56.100 0.037 0.000 1.198 282 R CB 0.855 31.166 30.300 0.019 0.000 1.114 282 R HN 0.138 nan 8.270 nan 0.000 0.550 283 V N 2.181 122.189 119.914 0.158 0.000 2.487 283 V HA 0.296 4.414 4.120 -0.003 0.000 0.298 283 V C -0.900 175.381 176.094 0.312 0.000 1.028 283 V CA -0.675 61.768 62.300 0.237 0.000 0.860 283 V CB 1.340 33.306 31.823 0.238 0.000 0.991 283 V HN 0.501 nan 8.190 nan 0.000 0.427 284 F N 3.545 123.612 119.950 0.195 0.000 2.443 284 F HA 0.781 5.306 4.527 -0.004 0.000 0.335 284 F C 0.138 176.058 175.800 0.199 0.000 1.104 284 F CA 0.175 58.298 58.000 0.206 0.000 1.013 284 F CB 1.978 41.064 39.000 0.144 0.000 1.136 284 F HN 0.527 nan 8.300 nan 0.000 0.470 285 T N 6.793 121.051 114.554 -0.493 0.000 2.896 285 T HA 0.705 5.053 4.350 -0.003 0.000 0.297 285 T C -1.702 172.538 174.700 -0.766 0.000 1.108 285 T CA -0.551 61.304 62.100 -0.409 0.000 1.004 285 T CB 1.189 69.986 68.868 -0.118 0.000 1.159 285 T HN 0.720 nan 8.240 nan 0.000 0.499 286 I N 1.433 121.705 120.570 -0.496 0.000 3.004 286 I HA 0.611 4.779 4.170 -0.003 0.000 0.305 286 I C 0.334 176.300 176.117 -0.252 0.000 1.312 286 I CA 0.499 61.553 61.300 -0.412 0.000 0.992 286 I CB 1.675 39.388 38.000 -0.478 0.000 1.282 286 I HN 1.065 nan 8.210 nan 0.000 0.449 287 G N 3.473 112.146 108.800 -0.211 0.000 2.598 287 G HA2 0.264 4.222 3.960 -0.003 0.000 0.244 287 G HA3 0.264 4.222 3.960 -0.003 0.000 0.244 287 G C 0.500 175.280 174.900 -0.201 0.000 1.302 287 G CA -0.099 44.889 45.100 -0.185 0.000 0.903 287 G HN 2.357 nan 8.290 nan 0.000 0.575 288 G N -3.118 105.572 108.800 -0.183 0.000 2.683 288 G HA2 0.205 4.163 3.960 -0.003 0.000 0.234 288 G HA3 0.205 4.163 3.960 -0.003 0.000 0.234 288 G C 0.544 175.327 174.900 -0.195 0.000 1.135 288 G CA 0.766 45.770 45.100 -0.161 0.000 0.975 288 G HN 1.815 nan 8.290 nan 0.000 0.511 289 S N -0.976 114.596 115.700 -0.213 0.000 2.605 289 S HA 0.108 4.576 4.470 -0.003 0.000 0.217 289 S C 1.552 176.041 174.600 -0.185 0.000 0.958 289 S CA 0.643 58.709 58.200 -0.223 0.000 0.919 289 S CB -0.157 62.930 63.200 -0.189 0.000 0.780 289 S HN 0.712 nan 8.310 nan 0.000 0.507 290 W N 3.517 124.535 121.300 -0.470 0.000 2.363 290 W HA -0.060 4.598 4.660 -0.002 0.000 0.296 290 W C 0.869 177.241 176.519 -0.246 0.000 1.212 290 W CA 1.341 58.304 57.345 -0.637 0.000 1.260 290 W CB 0.028 28.740 29.460 -1.247 0.000 1.131 290 W HN 0.291 nan 8.180 nan 0.000 0.530 291 S N -2.353 113.278 115.700 -0.116 0.000 2.627 291 S HA 0.613 5.081 4.470 -0.003 0.000 0.283 291 S C 0.472 175.019 174.600 -0.088 0.000 1.127 291 S CA -0.267 57.835 58.200 -0.163 0.000 0.863 291 S CB 1.308 64.513 63.200 0.009 0.000 1.121 291 S HN 0.913 nan 8.310 nan 0.000 0.479 292 G N -0.388 108.374 108.800 -0.063 0.000 2.179 292 G HA2 0.337 4.295 3.960 -0.003 0.000 0.260 292 G HA3 0.337 4.295 3.960 -0.003 0.000 0.260 292 G C 1.265 176.197 174.900 0.054 0.000 0.977 292 G CA 0.408 45.501 45.100 -0.012 0.000 0.641 292 G HN 2.686 nan 8.290 nan 0.000 0.533 293 G N -2.704 106.098 108.800 0.003 0.000 2.515 293 G HA2 0.358 4.316 3.960 -0.003 0.000 0.686 293 G HA3 0.358 4.316 3.960 -0.003 0.000 0.686 293 G C -0.677 174.190 174.900 -0.055 0.000 1.274 293 G CA -0.026 45.140 45.100 0.110 0.000 0.874 293 G HN 1.481 nan 8.290 nan 0.000 0.631 294 V N 2.001 121.953 119.914 0.063 0.000 2.293 294 V HA 0.806 4.924 4.120 -0.003 0.000 0.275 294 V C 0.116 176.284 176.094 0.123 0.000 1.021 294 V CA 0.383 62.677 62.300 -0.009 0.000 0.815 294 V CB -0.441 31.407 31.823 0.041 0.000 1.025 294 V HN 1.404 nan 8.190 nan 0.000 0.448 295 F N 0.924 120.866 119.950 -0.012 0.000 2.817 295 F HA 0.585 5.110 4.527 -0.003 0.000 0.317 295 F C -0.448 175.345 175.800 -0.012 0.000 1.168 295 F CA -1.449 56.543 58.000 -0.012 0.000 0.911 295 F CB 1.150 40.140 39.000 -0.017 0.000 1.337 295 F HN 0.178 nan 8.300 nan 0.000 0.464 296 E N 1.695 122.031 120.200 0.226 0.000 2.265 296 E HA 0.161 4.509 4.350 -0.003 0.000 0.272 296 E C -1.019 175.642 176.600 0.102 0.000 1.067 296 E CA -0.161 56.298 56.400 0.099 0.000 0.900 296 E CB 0.669 30.437 29.700 0.113 0.000 1.017 296 E HN 0.363 nan 8.360 nan 0.000 0.431 297 K N 3.741 124.090 120.400 -0.084 0.000 2.354 297 K HA 0.216 4.534 4.320 -0.003 0.000 0.257 297 K C -0.439 176.126 176.600 -0.058 0.000 1.062 297 K CA -0.319 55.909 56.287 -0.099 0.000 0.971 297 K CB 0.764 33.095 32.500 -0.281 0.000 1.305 297 K HN 0.430 nan 8.250 nan 0.000 0.449 298 N N 0.203 118.909 118.700 0.011 0.000 2.285 298 N HA 0.115 4.854 4.740 -0.003 0.000 0.262 298 N C 0.633 176.107 175.510 -0.060 0.000 1.299 298 N CA -0.405 52.657 53.050 0.020 0.000 0.930 298 N CB 0.330 38.872 38.487 0.091 0.000 1.157 298 N HN 0.476 nan 8.380 nan 0.000 0.532 299 G N -0.880 107.901 108.800 -0.032 0.000 2.636 299 G HA2 0.327 4.285 3.960 -0.003 0.000 0.246 299 G HA3 0.327 4.285 3.960 -0.003 0.000 0.246 299 G C -0.718 174.130 174.900 -0.086 0.000 1.216 299 G CA -0.194 44.778 45.100 -0.213 0.000 0.854 299 G HN 0.702 nan 8.290 nan 0.000 0.572 300 E N -1.782 118.317 120.200 -0.168 0.000 2.390 300 E HA 0.564 4.912 4.350 -0.003 0.000 0.277 300 E C -1.881 174.899 176.600 0.300 0.000 0.939 300 E CA -1.068 55.414 56.400 0.137 0.000 0.769 300 E CB 2.346 32.154 29.700 0.179 0.000 1.251 300 E HN 0.581 nan 8.360 nan 0.000 0.450 301 V N 2.335 122.496 119.914 0.411 0.000 2.709 301 V HA 0.477 4.595 4.120 -0.003 0.000 0.308 301 V C -1.900 174.223 176.094 0.047 0.000 1.062 301 V CA -0.620 61.863 62.300 0.305 0.000 0.901 301 V CB 1.598 33.594 31.823 0.289 0.000 1.003 301 V HN 0.758 nan 8.190 nan 0.000 0.425 302 Y N 5.028 124.993 120.300 -0.558 0.000 2.323 302 Y HA 0.700 5.248 4.550 -0.004 0.000 0.331 302 Y C 0.206 175.840 175.900 -0.442 0.000 1.092 302 Y CA -0.023 57.462 58.100 -1.026 0.000 1.150 302 Y CB 1.893 39.272 38.460 -1.801 0.000 1.200 302 Y HN 0.719 nan 8.280 nan 0.000 0.472 303 S N 8.082 123.215 115.700 -0.945 0.000 2.498 303 S HA 0.405 4.873 4.470 -0.003 0.000 0.324 303 S C -2.133 171.848 174.600 -1.030 0.000 1.071 303 S CA -1.765 56.007 58.200 -0.714 0.000 1.113 303 S CB 1.106 64.093 63.200 -0.355 0.000 0.976 303 S HN 0.631 nan 8.310 nan 0.000 0.462 304 P HA -0.127 nan 4.420 nan 0.000 0.218 304 P C 1.643 178.774 177.300 -0.281 0.000 1.148 304 P CA 1.275 64.061 63.100 -0.522 0.000 0.822 304 P CB -0.035 31.574 31.700 -0.152 0.000 0.784 305 S N -0.395 115.166 115.700 -0.232 0.000 2.357 305 S HA -0.100 4.369 4.470 -0.003 0.000 0.221 305 S C 2.000 176.524 174.600 -0.127 0.000 1.031 305 S CA 1.555 59.675 58.200 -0.134 0.000 0.982 305 S CB -1.501 61.640 63.200 -0.099 0.000 0.853 305 S HN 0.258 nan 8.310 nan 0.000 0.458 306 S N 0.603 116.203 115.700 -0.167 0.000 2.575 306 S HA 0.287 4.755 4.470 -0.003 0.000 0.215 306 S C 0.324 174.860 174.600 -0.107 0.000 0.966 306 S CA -0.275 57.859 58.200 -0.111 0.000 0.911 306 S CB -0.449 62.696 63.200 -0.091 0.000 0.780 306 S HN 0.363 nan 8.310 nan 0.000 0.514 307 K N 2.067 122.350 120.400 -0.194 0.000 3.148 307 K HA -0.125 4.193 4.320 -0.003 0.000 0.267 307 K C -0.131 176.469 176.600 -0.001 0.000 0.996 307 K CA 1.284 57.519 56.287 -0.088 0.000 0.737 307 K CB -2.886 29.638 32.500 0.040 0.000 1.308 307 K HN 0.867 nan 8.250 nan 0.000 0.470 308 T N -3.544 110.940 114.554 -0.116 0.000 2.906 308 T HA 0.674 5.022 4.350 -0.003 0.000 0.295 308 T C -0.504 174.183 174.700 -0.021 0.000 1.061 308 T CA -0.905 61.204 62.100 0.015 0.000 1.000 308 T CB 1.616 70.491 68.868 0.012 0.000 1.103 308 T HN 0.274 nan 8.240 nan 0.000 0.486 309 W N 0.958 122.353 121.300 0.158 0.000 2.478 309 W HA 0.587 5.245 4.660 -0.004 0.000 0.318 309 W C -0.260 176.318 176.519 0.099 0.000 1.062 309 W CA -0.379 57.064 57.345 0.163 0.000 1.210 309 W CB 2.301 31.843 29.460 0.136 0.000 1.325 309 W HN 0.689 nan 8.180 nan 0.000 0.496 310 T N 2.270 117.028 114.554 0.339 0.000 2.848 310 T HA 0.240 4.588 4.350 -0.003 0.000 0.285 310 T C -0.326 174.512 174.700 0.231 0.000 0.995 310 T CA -0.659 61.574 62.100 0.221 0.000 0.970 310 T CB 1.628 70.582 68.868 0.144 0.000 0.976 310 T HN 0.256 nan 8.240 nan 0.000 0.441 311 S N 2.377 118.183 115.700 0.175 0.000 2.562 311 S HA 0.394 4.862 4.470 -0.003 0.000 0.281 311 S C -0.129 174.564 174.600 0.154 0.000 1.333 311 S CA -0.515 57.774 58.200 0.147 0.000 1.052 311 S CB -0.130 63.136 63.200 0.111 0.000 0.884 311 S HN 0.540 nan 8.310 nan 0.000 0.506 312 L N 7.271 128.592 121.223 0.164 0.000 2.581 312 L HA 0.332 4.670 4.340 -0.003 0.000 0.241 312 L C -1.595 175.384 176.870 0.181 0.000 1.265 312 L CA -1.528 53.431 54.840 0.199 0.000 0.954 312 L CB 1.398 43.634 42.059 0.294 0.000 1.269 312 L HN 0.535 nan 8.230 nan 0.000 0.475 313 P HA -0.127 nan 4.420 nan 0.000 0.220 313 P C 0.594 177.981 177.300 0.146 0.000 1.148 313 P CA 1.205 64.382 63.100 0.128 0.000 0.803 313 P CB 0.289 32.049 31.700 0.100 0.000 0.782 314 N N -0.090 118.708 118.700 0.163 0.000 2.398 314 N HA 0.064 4.802 4.740 -0.003 0.000 0.188 314 N C 0.674 176.329 175.510 0.240 0.000 1.122 314 N CA 0.202 53.354 53.050 0.170 0.000 0.866 314 N CB -0.116 38.454 38.487 0.137 0.000 0.970 314 N HN 0.095 nan 8.380 nan 0.000 0.462 315 A N 1.712 124.717 122.820 0.308 0.000 2.807 315 A HA 0.169 4.487 4.320 -0.003 0.000 0.307 315 A C 0.190 178.027 177.584 0.422 0.000 1.532 315 A CA -0.385 51.945 52.037 0.487 0.000 1.215 315 A CB 0.038 19.388 19.000 0.583 0.000 1.127 315 A HN -0.153 nan 8.150 nan 0.000 0.543 316 K N 1.555 122.191 120.400 0.395 0.000 2.298 316 K HA 0.113 4.431 4.320 -0.003 0.000 0.280 316 K C 1.089 177.889 176.600 0.334 0.000 1.032 316 K CA -0.285 56.172 56.287 0.283 0.000 0.958 316 K CB 1.824 34.443 32.500 0.198 0.000 0.978 316 K HN 0.317 nan 8.250 nan 0.000 0.472 317 V N 3.400 123.423 119.914 0.181 0.000 2.719 317 V HA -0.177 3.941 4.120 -0.003 0.000 0.252 317 V C 2.029 178.199 176.094 0.126 0.000 1.065 317 V CA 1.325 63.706 62.300 0.135 0.000 1.086 317 V CB -0.367 31.471 31.823 0.024 0.000 0.700 317 V HN 0.758 nan 8.190 nan 0.000 0.467 318 N N 1.039 119.800 118.700 0.101 0.000 2.069 318 N HA -0.171 4.567 4.740 -0.003 0.000 0.196 318 N C -0.605 174.938 175.510 0.054 0.000 1.024 318 N CA 2.429 55.518 53.050 0.067 0.000 0.869 318 N CB -1.013 37.511 38.487 0.062 0.000 1.035 318 N HN 0.428 nan 8.380 nan 0.000 0.434 319 P HA -0.055 nan 4.420 nan 0.000 0.230 319 P C 1.215 178.518 177.300 0.004 0.000 1.158 319 P CA 1.032 64.147 63.100 0.024 0.000 0.769 319 P CB -0.211 31.490 31.700 0.001 0.000 0.807 320 M N -3.534 116.091 119.600 0.042 0.000 2.371 320 M HA 0.204 4.682 4.480 -0.003 0.000 0.246 320 M C 0.183 176.451 176.300 -0.053 0.000 1.103 320 M CA 0.250 55.544 55.300 -0.010 0.000 1.010 320 M CB -0.386 32.250 32.600 0.060 0.000 1.457 320 M HN -0.289 nan 8.290 nan 0.000 0.486 321 L N 2.944 124.149 121.223 -0.030 0.000 2.485 321 L HA 0.190 4.528 4.340 -0.003 0.000 0.275 321 L C 0.971 177.805 176.870 -0.061 0.000 1.207 321 L CA -0.245 54.569 54.840 -0.043 0.000 0.855 321 L CB 0.395 42.443 42.059 -0.019 0.000 1.114 321 L HN 0.410 nan 8.230 nan 0.000 0.485 322 T N -0.527 113.987 114.554 -0.066 0.000 2.770 322 T HA 0.406 4.754 4.350 -0.003 0.000 0.281 322 T C 0.640 175.322 174.700 -0.030 0.000 0.981 322 T CA -0.283 61.778 62.100 -0.066 0.000 0.955 322 T CB 1.239 70.069 68.868 -0.064 0.000 1.060 322 T HN 0.646 nan 8.240 nan 0.000 0.531 323 A N 0.025 122.831 122.820 -0.024 0.000 2.640 323 A HA 0.233 4.551 4.320 -0.003 0.000 0.282 323 A C 0.618 178.207 177.584 0.009 0.000 1.357 323 A CA -0.503 51.530 52.037 -0.007 0.000 0.946 323 A CB -0.942 18.052 19.000 -0.009 0.000 1.065 323 A HN 0.895 nan 8.150 nan 0.000 0.541 324 D N 0.747 121.159 120.400 0.020 0.000 2.583 324 D HA -0.049 4.589 4.640 -0.003 0.000 0.232 324 D C 0.772 177.100 176.300 0.046 0.000 1.128 324 D CA 0.624 54.652 54.000 0.047 0.000 0.859 324 D CB 0.689 41.533 40.800 0.074 0.000 1.169 324 D HN 0.344 nan 8.370 nan 0.000 0.481 325 K N 2.169 122.599 120.400 0.049 0.000 2.280 325 K HA -0.156 4.162 4.320 -0.003 0.000 0.202 325 K C 1.639 178.269 176.600 0.050 0.000 1.047 325 K CA 0.923 57.235 56.287 0.041 0.000 0.942 325 K CB 0.159 32.683 32.500 0.039 0.000 0.739 325 K HN 0.508 nan 8.250 nan 0.000 0.457 326 Q N -0.183 119.662 119.800 0.074 0.000 2.403 326 Q HA 0.072 4.410 4.340 -0.003 0.000 0.203 326 Q C 0.700 176.754 176.000 0.091 0.000 0.932 326 Q CA 0.200 56.056 55.803 0.089 0.000 0.945 326 Q CB 0.578 29.403 28.738 0.144 0.000 1.045 326 Q HN 0.401 nan 8.270 nan 0.000 0.511 327 G N 1.001 109.843 108.800 0.070 0.000 2.553 327 G HA2 -0.339 3.620 3.960 -0.003 0.000 0.242 327 G HA3 -0.339 3.620 3.960 -0.003 0.000 0.242 327 G C 0.208 175.145 174.900 0.062 0.000 1.277 327 G CA -0.132 45.001 45.100 0.055 0.000 0.910 327 G HN 0.228 nan 8.290 nan 0.000 0.576 328 L N -0.431 120.821 121.223 0.049 0.000 2.187 328 L HA 0.014 4.352 4.340 -0.003 0.000 0.213 328 L C 2.510 179.400 176.870 0.033 0.000 1.100 328 L CA 2.951 57.806 54.840 0.024 0.000 0.765 328 L CB -0.883 41.184 42.059 0.013 0.000 0.904 328 L HN 0.753 nan 8.230 nan 0.000 0.437 329 Y N 0.031 120.288 120.300 -0.071 0.000 2.193 329 Y HA -0.283 4.265 4.550 -0.003 0.000 0.285 329 Y C 2.221 178.072 175.900 -0.081 0.000 1.166 329 Y CA 1.881 59.920 58.100 -0.101 0.000 1.181 329 Y CB -0.028 38.370 38.460 -0.103 0.000 0.976 329 Y HN 0.137 nan 8.280 nan 0.000 0.520 330 R N -0.841 119.597 120.500 -0.104 0.000 2.250 330 R HA 0.090 4.428 4.340 -0.003 0.000 0.194 330 R C 2.520 178.808 176.300 -0.019 0.000 0.927 330 R CA 0.953 56.981 56.100 -0.121 0.000 1.052 330 R CB -1.158 29.166 30.300 0.040 0.000 1.055 330 R HN 0.450 nan 8.270 nan 0.000 0.537 331 S N 1.799 117.493 115.700 -0.010 0.000 2.442 331 S HA -0.132 4.336 4.470 -0.003 0.000 0.236 331 S C 1.085 175.653 174.600 -0.053 0.000 1.007 331 S CA 1.500 59.691 58.200 -0.016 0.000 0.965 331 S CB -0.176 63.021 63.200 -0.006 0.000 0.773 331 S HN 0.325 nan 8.310 nan 0.000 0.504 332 D N 0.338 120.690 120.400 -0.079 0.000 2.368 332 D HA 0.144 4.782 4.640 -0.003 0.000 0.218 332 D C -0.105 176.117 176.300 -0.130 0.000 1.112 332 D CA -0.469 53.470 54.000 -0.101 0.000 0.834 332 D CB -1.043 39.691 40.800 -0.110 0.000 0.953 332 D HN 0.495 nan 8.370 nan 0.000 0.505 333 N N 0.644 119.260 118.700 -0.140 0.000 2.493 333 N HA 0.056 4.794 4.740 -0.003 0.000 0.275 333 N C -0.393 175.017 175.510 -0.167 0.000 1.186 333 N CA -0.633 52.264 53.050 -0.255 0.000 0.978 333 N CB 0.345 38.634 38.487 -0.330 0.000 1.184 333 N HN 0.100 nan 8.380 nan 0.000 0.487 334 H N -1.293 117.781 119.070 0.006 0.000 2.527 334 H HA -0.188 4.366 4.556 -0.003 0.000 0.321 334 H C -0.094 175.247 175.328 0.022 0.000 1.092 334 H CA 0.218 56.263 56.048 -0.005 0.000 1.118 334 H CB -1.934 27.834 29.762 0.011 0.000 1.536 334 H HN 0.606 nan 8.280 nan 0.000 0.407 335 A N 0.288 123.137 122.820 0.049 0.000 2.498 335 A HA 0.122 4.440 4.320 -0.003 0.000 0.239 335 A C 0.362 178.022 177.584 0.126 0.000 1.068 335 A CA -0.148 51.880 52.037 -0.015 0.000 0.766 335 A CB 0.231 19.201 19.000 -0.051 0.000 1.003 335 A HN 0.418 nan 8.150 nan 0.000 0.497 336 W N 3.509 124.744 121.300 -0.109 0.000 1.864 336 W HA 0.406 5.065 4.660 -0.002 0.000 0.425 336 W C -0.495 175.890 176.519 -0.225 0.000 0.791 336 W CA -0.659 56.587 57.345 -0.165 0.000 1.650 336 W CB -0.986 28.452 29.460 -0.037 0.000 1.791 336 W HN 0.351 nan 8.180 nan 0.000 0.266 337 L N 2.695 123.842 121.223 -0.126 0.000 2.334 337 L HA 0.555 4.893 4.340 -0.003 0.000 0.277 337 L C -0.529 176.091 176.870 -0.416 0.000 1.075 337 L CA -0.617 54.161 54.840 -0.102 0.000 0.804 337 L CB 0.599 42.676 42.059 0.030 0.000 1.174 337 L HN -0.084 nan 8.230 nan 0.000 0.438 338 F N 0.054 120.110 119.950 0.177 0.000 2.562 338 F HA 0.448 4.973 4.527 -0.004 0.000 0.319 338 F C 0.749 176.706 175.800 0.261 0.000 1.154 338 F CA -0.766 57.354 58.000 0.200 0.000 0.931 338 F CB 1.650 40.750 39.000 0.167 0.000 1.198 338 F HN 0.431 nan 8.300 nan 0.000 0.444 339 G N 2.564 111.611 108.800 0.411 0.000 2.398 339 G HA2 0.208 4.166 3.960 -0.003 0.000 0.246 339 G HA3 0.208 4.166 3.960 -0.003 0.000 0.246 339 G C -0.934 174.304 174.900 0.563 0.000 1.289 339 G CA -0.175 45.156 45.100 0.385 0.000 0.869 339 G HN 0.745 nan 8.290 nan 0.000 0.543 340 W N 1.399 122.835 121.300 0.228 0.000 3.624 340 W HA 0.444 5.102 4.660 -0.004 0.000 0.359 340 W C -0.382 176.227 176.519 0.150 0.000 1.122 340 W CA -0.880 56.597 57.345 0.219 0.000 1.009 340 W CB 1.133 30.787 29.460 0.325 0.000 1.586 340 W HN 0.360 nan 8.180 nan 0.000 0.610 341 K N 1.910 122.079 120.400 -0.386 0.000 2.414 341 K HA 0.009 4.327 4.320 -0.003 0.000 0.272 341 K C -0.114 176.447 176.600 -0.066 0.000 0.993 341 K CA 0.561 56.646 56.287 -0.337 0.000 0.964 341 K CB 0.201 32.395 32.500 -0.510 0.000 0.925 341 K HN 0.299 nan 8.250 nan 0.000 0.487 342 K N 0.803 121.169 120.400 -0.056 0.000 3.148 342 K HA -0.262 4.056 4.320 -0.003 0.000 0.267 342 K C 0.541 177.181 176.600 0.067 0.000 0.996 342 K CA 0.431 56.721 56.287 0.006 0.000 0.737 342 K CB -1.920 30.584 32.500 0.005 0.000 1.308 342 K HN 1.139 nan 8.250 nan 0.000 0.470 343 G N -0.612 108.233 108.800 0.074 0.000 2.168 343 G HA2 -0.392 3.567 3.960 -0.003 0.000 0.263 343 G HA3 -0.392 3.567 3.960 -0.003 0.000 0.263 343 G C 0.155 175.117 174.900 0.102 0.000 0.977 343 G CA 0.572 45.729 45.100 0.096 0.000 0.659 343 G HN 0.917 nan 8.290 nan 0.000 0.533 344 S N -1.272 114.505 115.700 0.128 0.000 2.632 344 S HA 0.761 5.230 4.470 -0.003 0.000 0.267 344 S C -0.095 174.617 174.600 0.187 0.000 1.276 344 S CA -0.202 58.065 58.200 0.112 0.000 0.998 344 S CB 2.711 66.012 63.200 0.169 0.000 0.953 344 S HN 1.056 nan 8.310 nan 0.000 0.547 345 V N 2.110 122.101 119.914 0.128 0.000 2.577 345 V HA 0.477 4.595 4.120 -0.003 0.000 0.303 345 V C -0.990 175.272 176.094 0.280 0.000 1.042 345 V CA -0.710 61.687 62.300 0.161 0.000 0.872 345 V CB 1.325 33.059 31.823 -0.147 0.000 0.998 345 V HN 0.882 nan 8.190 nan 0.000 0.423 346 F N 4.285 124.293 119.950 0.098 0.000 2.404 346 F HA 0.529 5.054 4.527 -0.004 0.000 0.339 346 F C 0.158 175.952 175.800 -0.010 0.000 1.105 346 F CA -0.129 57.721 58.000 -0.250 0.000 1.087 346 F CB 1.400 40.088 39.000 -0.520 0.000 1.143 346 F HN 0.516 nan 8.300 nan 0.000 0.491 347 Q N 5.724 125.021 119.800 -0.838 0.000 2.394 347 Q HA 0.450 4.788 4.340 -0.003 0.000 0.259 347 Q C -0.555 174.914 176.000 -0.885 0.000 1.021 347 Q CA -0.273 55.245 55.803 -0.476 0.000 0.805 347 Q CB 1.672 30.338 28.738 -0.119 0.000 1.226 347 Q HN 0.948 nan 8.270 nan 0.000 0.476 348 A N 2.912 125.493 122.820 -0.397 0.000 2.169 348 A HA 0.481 4.799 4.320 -0.003 0.000 0.212 348 A C 0.814 178.347 177.584 -0.085 0.000 1.153 348 A CA 1.064 53.060 52.037 -0.068 0.000 0.756 348 A CB 0.148 19.491 19.000 0.573 0.000 0.813 348 A HN 0.893 nan 8.150 nan 0.000 0.471 349 G N -1.799 106.738 108.800 -0.439 0.000 2.351 349 G HA2 0.264 4.222 3.960 -0.003 0.000 0.279 349 G HA3 0.264 4.222 3.960 -0.003 0.000 0.279 349 G C -2.627 171.465 174.900 -1.346 0.000 1.297 349 G CA 0.108 44.547 45.100 -1.102 0.000 0.886 349 G HN -0.173 nan 8.290 nan 0.000 0.493 350 P HA 0.044 nan 4.420 nan 0.000 0.226 350 P C 1.267 178.122 177.300 -0.742 0.000 1.153 350 P CA 1.316 63.543 63.100 -1.455 0.000 0.777 350 P CB -0.221 31.075 31.700 -0.672 0.000 0.794 351 S N -0.874 114.523 115.700 -0.505 0.000 2.569 351 S HA 0.028 4.497 4.470 -0.003 0.000 0.274 351 S C 1.386 175.809 174.600 -0.296 0.000 1.353 351 S CA 0.070 58.092 58.200 -0.298 0.000 1.023 351 S CB -0.315 62.756 63.200 -0.215 0.000 0.876 351 S HN 0.007 nan 8.310 nan 0.000 0.540 352 T N 1.675 116.116 114.554 -0.188 0.000 2.759 352 T HA 0.011 4.359 4.350 -0.003 0.000 0.269 352 T C 1.017 175.631 174.700 -0.143 0.000 1.042 352 T CA 1.411 63.424 62.100 -0.145 0.000 1.140 352 T CB -0.662 68.154 68.868 -0.087 0.000 0.864 352 T HN 0.973 nan 8.240 nan 0.000 0.455 353 A N 1.770 124.509 122.820 -0.136 0.000 2.454 353 A HA 0.553 4.871 4.320 -0.003 0.000 0.260 353 A C 0.120 177.591 177.584 -0.189 0.000 1.106 353 A CA -0.080 51.883 52.037 -0.125 0.000 0.780 353 A CB -0.139 18.803 19.000 -0.097 0.000 1.044 353 A HN 0.405 nan 8.150 nan 0.000 0.498 354 M N 2.853 122.336 119.600 -0.196 0.000 2.472 354 M HA 0.381 4.859 4.480 -0.003 0.000 0.331 354 M C -0.296 175.794 176.300 -0.350 0.000 1.170 354 M CA -0.329 54.764 55.300 -0.346 0.000 1.009 354 M CB 1.559 33.996 32.600 -0.271 0.000 1.672 354 M HN 0.753 nan 8.290 nan 0.000 0.453 355 N N 0.777 119.152 118.700 -0.541 0.000 2.416 355 N HA 0.410 5.148 4.740 -0.003 0.000 0.276 355 N C -2.097 173.062 175.510 -0.584 0.000 1.261 355 N CA -0.534 52.251 53.050 -0.442 0.000 0.790 355 N CB 1.942 40.179 38.487 -0.416 0.000 1.554 355 N HN 0.594 nan 8.380 nan 0.000 0.481 356 W N 1.023 122.170 121.300 -0.255 0.000 2.391 356 W HA 0.408 5.065 4.660 -0.004 0.000 0.311 356 W C -0.553 175.637 176.519 -0.548 0.000 1.087 356 W CA -0.478 56.715 57.345 -0.255 0.000 1.209 356 W CB 0.684 30.034 29.460 -0.183 0.000 1.273 356 W HN 0.367 nan 8.180 nan 0.000 0.482 357 Y N 2.828 123.070 120.300 -0.097 0.000 2.341 357 Y HA 0.378 4.926 4.550 -0.003 0.000 0.337 357 Y C -0.495 175.198 175.900 -0.346 0.000 1.014 357 Y CA -0.941 57.065 58.100 -0.157 0.000 1.111 357 Y CB 0.936 39.236 38.460 -0.267 0.000 1.194 357 Y HN 0.257 nan 8.280 nan 0.000 0.462 358 Y N 0.014 120.418 120.300 0.174 0.000 2.468 358 Y HA 0.343 4.892 4.550 -0.003 0.000 0.342 358 Y C 0.919 176.886 175.900 0.112 0.000 1.021 358 Y CA -0.919 57.250 58.100 0.115 0.000 1.079 358 Y CB 2.082 40.603 38.460 0.102 0.000 1.226 358 Y HN 0.610 nan 8.280 nan 0.000 0.460 359 T N -3.242 111.456 114.554 0.241 0.000 3.132 359 T HA 0.167 4.515 4.350 -0.003 0.000 0.274 359 T C 0.146 174.960 174.700 0.189 0.000 1.011 359 T CA -0.258 61.971 62.100 0.214 0.000 0.899 359 T CB -0.462 68.508 68.868 0.170 0.000 1.089 359 T HN 0.477 nan 8.240 nan 0.000 0.543 360 S N 0.566 116.373 115.700 0.177 0.000 2.601 360 S HA 0.649 5.117 4.470 -0.003 0.000 0.271 360 S C 1.249 175.918 174.600 0.115 0.000 1.305 360 S CA -0.052 58.221 58.200 0.120 0.000 1.022 360 S CB 0.519 63.770 63.200 0.087 0.000 0.940 360 S HN 1.252 nan 8.310 nan 0.000 0.525 361 G N 2.038 110.892 108.800 0.090 0.000 2.582 361 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.288 361 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.288 361 G C 0.605 175.570 174.900 0.109 0.000 1.247 361 G CA 0.151 45.300 45.100 0.082 0.000 0.972 361 G HN 1.377 nan 8.290 nan 0.000 0.557 362 S N 1.987 117.751 115.700 0.106 0.000 2.710 362 S HA 0.474 4.942 4.470 -0.003 0.000 0.224 362 S C 1.072 175.772 174.600 0.167 0.000 0.948 362 S CA 1.474 59.749 58.200 0.125 0.000 0.949 362 S CB -0.648 62.614 63.200 0.104 0.000 0.778 362 S HN 2.399 nan 8.310 nan 0.000 0.498 363 G N 1.115 110.028 108.800 0.189 0.000 2.730 363 G HA2 0.054 4.012 3.960 -0.003 0.000 0.686 363 G HA3 0.054 4.012 3.960 -0.003 0.000 0.686 363 G C -1.294 173.753 174.900 0.245 0.000 1.343 363 G CA -0.518 44.738 45.100 0.260 0.000 0.826 363 G HN 0.331 nan 8.290 nan 0.000 0.582 364 D N -2.088 118.510 120.400 0.331 0.000 2.692 364 D HA 0.716 5.354 4.640 -0.003 0.000 0.290 364 D C -1.215 175.305 176.300 0.365 0.000 1.281 364 D CA 0.559 54.734 54.000 0.291 0.000 0.804 364 D CB 2.086 42.987 40.800 0.169 0.000 1.331 364 D HN 1.354 nan 8.370 nan 0.000 0.432 365 V N 0.861 120.913 119.914 0.230 0.000 2.932 365 V HA 0.665 4.783 4.120 -0.003 0.000 0.307 365 V C -1.818 174.335 176.094 0.098 0.000 1.147 365 V CA -0.485 61.819 62.300 0.007 0.000 0.951 365 V CB 1.914 33.625 31.823 -0.188 0.000 1.031 365 V HN 0.575 nan 8.190 nan 0.000 0.426 366 K N 3.516 123.991 120.400 0.125 0.000 2.468 366 K HA 0.541 4.859 4.320 -0.003 0.000 0.252 366 K C -0.629 176.061 176.600 0.149 0.000 0.932 366 K CA -0.386 56.019 56.287 0.197 0.000 0.794 366 K CB 2.115 34.843 32.500 0.380 0.000 1.241 366 K HN 0.814 nan 8.250 nan 0.000 0.428 367 S N 1.922 117.684 115.700 0.103 0.000 2.549 367 S HA 0.202 4.670 4.470 -0.003 0.000 0.286 367 S C 0.470 175.174 174.600 0.174 0.000 1.314 367 S CA 0.294 58.538 58.200 0.074 0.000 1.062 367 S CB 0.652 63.882 63.200 0.049 0.000 0.865 367 S HN 0.634 nan 8.310 nan 0.000 0.498 368 A N 3.981 126.868 122.820 0.111 0.000 2.564 368 A HA 0.648 4.966 4.320 -0.003 0.000 0.279 368 A C 1.096 178.752 177.584 0.120 0.000 1.232 368 A CA 0.333 52.489 52.037 0.198 0.000 0.950 368 A CB -0.931 18.115 19.000 0.078 0.000 1.138 368 A HN 1.967 nan 8.150 nan 0.000 0.526 369 G N 0.160 109.000 108.800 0.067 0.000 2.632 369 G HA2 -0.165 3.793 3.960 -0.003 0.000 0.224 369 G HA3 -0.165 3.793 3.960 -0.003 0.000 0.224 369 G C -0.508 174.391 174.900 -0.002 0.000 1.341 369 G CA -0.279 44.845 45.100 0.040 0.000 0.880 369 G HN 0.514 nan 8.290 nan 0.000 0.566 370 K N -0.018 120.379 120.400 -0.004 0.000 2.164 370 K HA 0.511 4.829 4.320 -0.003 0.000 0.258 370 K C 0.474 177.047 176.600 -0.045 0.000 0.951 370 K CA -0.839 55.428 56.287 -0.033 0.000 0.844 370 K CB 2.066 34.550 32.500 -0.027 0.000 1.099 370 K HN 0.629 nan 8.250 nan 0.000 0.435 371 R N 3.243 123.687 120.500 -0.093 0.000 2.421 371 R HA -0.022 4.316 4.340 -0.003 0.000 0.305 371 R C -0.437 175.746 176.300 -0.195 0.000 1.039 371 R CA 0.619 56.617 56.100 -0.170 0.000 1.003 371 R CB 0.303 30.477 30.300 -0.210 0.000 0.959 371 R HN 0.796 nan 8.270 nan 0.000 0.427 372 Q N 1.709 121.423 119.800 -0.144 0.000 2.832 372 Q HA 0.487 4.826 4.340 -0.003 0.000 0.322 372 Q C -1.699 174.413 176.000 0.185 0.000 0.842 372 Q CA -1.031 54.786 55.803 0.024 0.000 0.780 372 Q CB 1.523 30.282 28.738 0.036 0.000 1.411 372 Q HN 0.645 nan 8.270 nan 0.000 0.490 373 S N -0.730 115.107 115.700 0.228 0.000 2.694 373 S HA 0.296 4.764 4.470 -0.003 0.000 0.273 373 S C -0.209 174.465 174.600 0.122 0.000 1.180 373 S CA -0.046 58.296 58.200 0.236 0.000 0.864 373 S CB 0.149 63.599 63.200 0.415 0.000 1.198 373 S HN 0.885 nan 8.310 nan 0.000 0.499 374 N N 0.756 119.505 118.700 0.080 0.000 2.519 374 N HA -0.078 4.660 4.740 -0.003 0.000 0.186 374 N C 1.040 176.533 175.510 -0.028 0.000 1.062 374 N CA 0.815 53.877 53.050 0.020 0.000 0.910 374 N CB -0.652 37.841 38.487 0.010 0.000 0.958 374 N HN 0.619 nan 8.380 nan 0.000 0.445 375 R N -0.673 119.789 120.500 -0.062 0.000 2.317 375 R HA 0.332 4.670 4.340 -0.003 0.000 0.208 375 R C 0.516 176.788 176.300 -0.048 0.000 0.914 375 R CA 0.412 56.428 56.100 -0.140 0.000 1.060 375 R CB 0.194 30.265 30.300 -0.383 0.000 1.015 375 R HN 0.339 nan 8.270 nan 0.000 0.498 376 G N 0.012 108.826 108.800 0.022 0.000 2.343 376 G HA2 -0.139 3.819 3.960 -0.003 0.000 0.465 376 G HA3 -0.139 3.819 3.960 -0.003 0.000 0.465 376 G C -1.093 173.855 174.900 0.080 0.000 1.282 376 G CA -1.055 44.067 45.100 0.037 0.000 0.996 376 G HN -0.073 nan 8.290 nan 0.000 0.521 377 V N 1.142 121.088 119.914 0.054 0.000 2.530 377 V HA 0.542 4.660 4.120 -0.003 0.000 0.282 377 V C 1.327 177.458 176.094 0.062 0.000 1.048 377 V CA 0.369 62.694 62.300 0.042 0.000 0.997 377 V CB 1.011 32.844 31.823 0.016 0.000 0.987 377 V HN 1.863 nan 8.190 nan 0.000 0.477 378 A N 8.737 131.586 122.820 0.050 0.000 2.440 378 A HA 0.580 4.898 4.320 -0.003 0.000 0.251 378 A C -1.901 175.704 177.584 0.034 0.000 1.089 378 A CA -1.108 50.984 52.037 0.090 0.000 0.779 378 A CB -0.093 18.901 19.000 -0.009 0.000 1.022 378 A HN 0.682 nan 8.150 nan 0.000 0.492 379 P HA 0.127 nan 4.420 nan 0.000 0.274 379 P C -0.723 176.571 177.300 -0.010 0.000 1.256 379 P CA -0.480 62.629 63.100 0.015 0.000 0.795 379 P CB 0.427 32.143 31.700 0.026 0.000 1.038 380 D N -0.091 120.284 120.400 -0.042 0.000 2.525 380 D HA 0.184 4.822 4.640 -0.003 0.000 0.235 380 D C 0.251 176.523 176.300 -0.047 0.000 1.137 380 D CA 0.848 54.797 54.000 -0.084 0.000 0.868 380 D CB 0.011 40.768 40.800 -0.073 0.000 1.180 380 D HN 0.342 nan 8.370 nan 0.000 0.465 381 A N 2.907 125.681 122.820 -0.077 0.000 3.258 381 A HA 0.243 4.561 4.320 -0.003 0.000 0.318 381 A C 0.013 177.638 177.584 0.069 0.000 0.990 381 A CA -0.696 51.371 52.037 0.049 0.000 0.885 381 A CB 0.086 19.216 19.000 0.216 0.000 1.090 381 A HN 0.424 nan 8.150 nan 0.000 0.479 382 M N 0.689 120.283 119.600 -0.009 0.000 2.260 382 M HA 0.241 4.719 4.480 -0.003 0.000 0.348 382 M C 0.795 177.088 176.300 -0.011 0.000 1.342 382 M CA 0.986 56.284 55.300 -0.002 0.000 1.040 382 M CB -0.891 31.706 32.600 -0.004 0.000 1.810 382 M HN 0.931 nan 8.290 nan 0.000 0.453 383 C N 2.977 122.305 119.300 0.047 0.000 4.497 383 C HA -0.126 4.332 4.460 -0.003 0.000 0.268 383 C C 1.079 176.052 174.990 -0.029 0.000 1.343 383 C CA 0.395 59.398 59.018 -0.024 0.000 1.742 383 C CB -2.821 24.873 27.740 -0.076 0.000 1.450 383 C HN 1.202 nan 8.230 nan 0.000 0.733 384 G N 0.257 109.149 108.800 0.153 0.000 2.634 384 G HA2 0.465 4.423 3.960 -0.003 0.000 0.255 384 G HA3 0.465 4.423 3.960 -0.003 0.000 0.255 384 G C -0.334 174.300 174.900 -0.443 0.000 1.205 384 G CA -0.134 44.997 45.100 0.051 0.000 0.884 384 G HN 0.689 nan 8.290 nan 0.000 0.549 385 N N -0.928 117.192 118.700 -0.967 0.000 2.404 385 N HA 0.605 5.343 4.740 -0.003 0.000 0.297 385 N C -0.706 173.888 175.510 -1.528 0.000 1.163 385 N CA -0.575 51.753 53.050 -1.203 0.000 0.864 385 N CB 2.053 39.867 38.487 -1.122 0.000 1.247 385 N HN 0.668 nan 8.380 nan 0.000 0.510 386 A N 1.171 123.378 122.820 -1.022 0.000 2.427 386 A HA 0.610 4.928 4.320 -0.003 0.000 0.298 386 A C -1.227 176.353 177.584 -0.007 0.000 1.036 386 A CA -0.475 51.212 52.037 -0.583 0.000 0.701 386 A CB 1.168 19.837 19.000 -0.551 0.000 1.250 386 A HN 0.362 nan 8.150 nan 0.000 0.412 387 V N 3.066 123.081 119.914 0.170 0.000 2.577 387 V HA 0.445 4.564 4.120 -0.003 0.000 0.303 387 V C -0.115 176.126 176.094 0.244 0.000 1.042 387 V CA -0.311 62.165 62.300 0.294 0.000 0.872 387 V CB 1.914 33.934 31.823 0.327 0.000 0.998 387 V HN 0.981 nan 8.190 nan 0.000 0.423 388 M N 5.739 125.466 119.600 0.211 0.000 2.435 388 M HA 0.274 4.752 4.480 -0.003 0.000 0.344 388 M C 0.420 176.766 176.300 0.078 0.000 1.329 388 M CA -0.460 54.816 55.300 -0.039 0.000 1.320 388 M CB 0.087 32.649 32.600 -0.062 0.000 1.309 388 M HN 0.866 nan 8.290 nan 0.000 0.451 389 Y N 0.815 121.153 120.300 0.064 0.000 2.523 389 Y HA 0.347 4.895 4.550 -0.004 0.000 0.279 389 Y C -0.079 175.871 175.900 0.083 0.000 1.139 389 Y CA -0.336 57.817 58.100 0.089 0.000 1.296 389 Y CB 0.181 38.698 38.460 0.095 0.000 1.045 389 Y HN 0.495 nan 8.280 nan 0.000 0.538 390 D N 0.724 120.945 120.400 -0.299 0.000 2.328 390 D HA 0.338 4.976 4.640 -0.003 0.000 0.243 390 D C 0.552 176.804 176.300 -0.079 0.000 1.324 390 D CA 0.001 53.929 54.000 -0.121 0.000 0.966 390 D CB 1.311 42.024 40.800 -0.145 0.000 1.324 390 D HN 0.199 nan 8.370 nan 0.000 0.549 391 A N 2.361 125.228 122.820 0.079 0.000 2.067 391 A HA -0.028 4.290 4.320 -0.003 0.000 0.219 391 A C 2.010 179.738 177.584 0.239 0.000 1.158 391 A CA 1.083 53.246 52.037 0.209 0.000 0.661 391 A CB -0.006 19.189 19.000 0.325 0.000 0.801 391 A HN 0.425 nan 8.150 nan 0.000 0.452 392 V N 0.128 120.118 119.914 0.126 0.000 2.307 392 V HA -0.147 3.971 4.120 -0.003 0.000 0.245 392 V C 2.021 178.181 176.094 0.110 0.000 1.045 392 V CA 1.878 64.234 62.300 0.093 0.000 1.024 392 V CB -0.389 31.461 31.823 0.045 0.000 0.651 392 V HN 0.349 nan 8.190 nan 0.000 0.449 393 K N 0.236 120.671 120.400 0.059 0.000 2.458 393 K HA 0.220 4.538 4.320 -0.003 0.000 0.194 393 K C 1.312 177.920 176.600 0.014 0.000 1.024 393 K CA 0.626 56.934 56.287 0.036 0.000 1.108 393 K CB -0.405 32.092 32.500 -0.005 0.000 0.846 393 K HN 0.562 nan 8.250 nan 0.000 0.518 394 G N 2.511 111.335 108.800 0.040 0.000 2.295 394 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.287 394 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.287 394 G C -0.374 174.303 174.900 -0.370 0.000 1.055 394 G CA 0.098 45.099 45.100 -0.166 0.000 0.922 394 G HN 0.122 nan 8.290 nan 0.000 0.503 395 K N 0.002 120.162 120.400 -0.399 0.000 2.211 395 K HA 0.589 4.907 4.320 -0.003 0.000 0.275 395 K C 0.362 176.581 176.600 -0.634 0.000 1.024 395 K CA -0.418 55.541 56.287 -0.547 0.000 0.887 395 K CB 1.610 33.621 32.500 -0.815 0.000 1.084 395 K HN 0.348 nan 8.250 nan 0.000 0.463 396 I N 3.613 123.944 120.570 -0.398 0.000 2.436 396 I HA 0.223 4.391 4.170 -0.003 0.000 0.289 396 I C -0.643 175.500 176.117 0.043 0.000 1.010 396 I CA -1.186 59.959 61.300 -0.258 0.000 1.098 396 I CB 1.670 39.406 38.000 -0.440 0.000 1.266 396 I HN 0.260 nan 8.210 nan 0.000 0.434 397 L N 7.093 128.456 121.223 0.233 0.000 2.282 397 L HA 0.618 4.956 4.340 -0.003 0.000 0.288 397 L C 0.129 177.098 176.870 0.165 0.000 1.033 397 L CA 0.339 55.319 54.840 0.233 0.000 0.807 397 L CB 1.394 43.590 42.059 0.229 0.000 1.209 397 L HN 0.741 nan 8.230 nan 0.000 0.423 398 T N 1.983 116.593 114.554 0.092 0.000 2.887 398 T HA 0.856 5.204 4.350 -0.003 0.000 0.288 398 T C -0.696 173.994 174.700 -0.016 0.000 1.021 398 T CA -0.550 61.421 62.100 -0.214 0.000 1.000 398 T CB 1.339 70.128 68.868 -0.131 0.000 1.034 398 T HN 0.534 nan 8.240 nan 0.000 0.467 399 F N -1.182 118.675 119.950 -0.155 0.000 2.688 399 F HA 0.758 5.283 4.527 -0.004 0.000 0.308 399 F C 0.290 176.113 175.800 0.038 0.000 1.117 399 F CA -0.311 57.649 58.000 -0.068 0.000 0.976 399 F CB 0.735 39.681 39.000 -0.090 0.000 1.291 399 F HN 1.237 nan 8.300 nan 0.000 0.439 400 G N 0.502 109.371 108.800 0.116 0.000 2.642 400 G HA2 0.475 4.433 3.960 -0.003 0.000 0.231 400 G HA3 0.475 4.433 3.960 -0.003 0.000 0.231 400 G C 0.299 175.266 174.900 0.112 0.000 1.338 400 G CA 0.415 45.535 45.100 0.033 0.000 0.883 400 G HN 3.227 nan 8.290 nan 0.000 0.570 401 G N -2.489 106.381 108.800 0.117 0.000 2.757 401 G HA2 0.485 4.443 3.960 -0.003 0.000 0.638 401 G HA3 0.485 4.443 3.960 -0.003 0.000 0.638 401 G C 0.099 174.980 174.900 -0.031 0.000 1.344 401 G CA 0.819 45.951 45.100 0.053 0.000 0.855 401 G HN 2.960 nan 8.290 nan 0.000 0.537 402 S N -0.845 114.815 115.700 -0.066 0.000 2.651 402 S HA 0.847 5.315 4.470 -0.003 0.000 0.279 402 S C -1.941 172.637 174.600 -0.038 0.000 1.148 402 S CA -0.552 57.606 58.200 -0.069 0.000 0.837 402 S CB 2.765 65.888 63.200 -0.129 0.000 1.138 402 S HN 0.546 nan 8.310 nan 0.000 0.478 403 P HA 0.079 nan 4.420 nan 0.000 0.218 403 P C -0.373 176.930 177.300 0.005 0.000 1.149 403 P CA 1.329 64.423 63.100 -0.011 0.000 0.817 403 P CB -0.130 31.566 31.700 -0.006 0.000 0.785 404 D N -2.640 117.769 120.400 0.015 0.000 2.340 404 D HA 0.090 4.728 4.640 -0.003 0.000 0.240 404 D C 0.638 176.999 176.300 0.101 0.000 1.001 404 D CA -0.748 53.293 54.000 0.068 0.000 0.888 404 D CB 1.232 42.073 40.800 0.069 0.000 1.310 404 D HN -0.108 nan 8.370 nan 0.000 0.474 405 Y N 1.042 121.374 120.300 0.053 0.000 2.114 405 Y HA -0.244 4.304 4.550 -0.003 0.000 0.282 405 Y C 1.150 177.108 175.900 0.097 0.000 1.165 405 Y CA 1.795 59.959 58.100 0.108 0.000 1.148 405 Y CB 0.408 38.948 38.460 0.134 0.000 0.972 405 Y HN 0.427 nan 8.280 nan 0.000 0.504 406 Q N -1.949 118.026 119.800 0.293 0.000 2.544 406 Q HA 0.283 4.622 4.340 -0.003 0.000 0.291 406 Q C -0.948 175.105 176.000 0.089 0.000 1.068 406 Q CA -0.428 55.484 55.803 0.181 0.000 0.785 406 Q CB 2.061 30.917 28.738 0.198 0.000 1.481 406 Q HN 0.146 nan 8.270 nan 0.000 0.430 407 D N -0.333 120.098 120.400 0.051 0.000 2.800 407 D HA -0.141 4.497 4.640 -0.003 0.000 0.232 407 D C -1.117 175.188 176.300 0.009 0.000 1.137 407 D CA 1.609 55.627 54.000 0.029 0.000 0.718 407 D CB -1.207 39.618 40.800 0.042 0.000 1.084 407 D HN 0.490 nan 8.370 nan 0.000 0.432 408 S N -0.514 115.176 115.700 -0.016 0.000 2.541 408 S HA 0.362 4.830 4.470 -0.003 0.000 0.280 408 S C -1.119 173.444 174.600 -0.062 0.000 1.112 408 S CA -0.791 57.391 58.200 -0.030 0.000 0.925 408 S CB 1.684 64.867 63.200 -0.028 0.000 1.067 408 S HN -0.042 nan 8.310 nan 0.000 0.479 409 D N 2.852 123.221 120.400 -0.053 0.000 2.351 409 D HA 0.487 5.125 4.640 -0.003 0.000 0.251 409 D C 0.495 176.747 176.300 -0.079 0.000 1.137 409 D CA 0.226 54.188 54.000 -0.064 0.000 0.879 409 D CB 1.407 42.181 40.800 -0.043 0.000 1.181 409 D HN 0.669 nan 8.370 nan 0.000 0.448 410 A N 2.176 124.931 122.820 -0.108 0.000 2.327 410 A HA 0.553 4.871 4.320 -0.003 0.000 0.255 410 A C 0.680 178.219 177.584 -0.075 0.000 1.099 410 A CA -0.257 51.710 52.037 -0.115 0.000 0.801 410 A CB 0.382 19.286 19.000 -0.161 0.000 1.062 410 A HN 0.597 nan 8.150 nan 0.000 0.496 411 T N -3.495 111.023 114.554 -0.060 0.000 2.888 411 T HA 0.539 4.888 4.350 -0.003 0.000 0.288 411 T C 0.599 175.261 174.700 -0.062 0.000 1.063 411 T CA 0.264 62.341 62.100 -0.038 0.000 1.010 411 T CB 1.146 70.020 68.868 0.010 0.000 1.214 411 T HN 1.120 nan 8.240 nan 0.000 0.533 412 T N -1.637 112.883 114.554 -0.057 0.000 3.086 412 T HA 0.245 4.593 4.350 -0.003 0.000 0.250 412 T C 0.405 175.054 174.700 -0.084 0.000 1.074 412 T CA -0.452 61.580 62.100 -0.113 0.000 0.988 412 T CB -1.063 67.718 68.868 -0.146 0.000 0.988 412 T HN 0.684 nan 8.240 nan 0.000 0.530 413 N N 1.727 120.436 118.700 0.015 0.000 2.407 413 N HA 0.423 5.161 4.740 -0.003 0.000 0.250 413 N C -0.481 174.884 175.510 -0.241 0.000 1.236 413 N CA 0.134 53.186 53.050 0.003 0.000 0.879 413 N CB 0.335 38.936 38.487 0.189 0.000 1.088 413 N HN 0.560 nan 8.380 nan 0.000 0.450 414 A N 1.692 124.045 122.820 -0.778 0.000 2.517 414 A HA 0.581 4.899 4.320 -0.003 0.000 0.297 414 A C -1.613 175.367 177.584 -1.006 0.000 1.050 414 A CA -0.634 51.069 52.037 -0.558 0.000 0.694 414 A CB 1.013 19.817 19.000 -0.327 0.000 1.277 414 A HN 0.794 nan 8.150 nan 0.000 0.400 415 H N -0.203 118.707 119.070 -0.267 0.000 2.946 415 H HA 0.712 5.266 4.556 -0.003 0.000 0.365 415 H C -1.039 174.245 175.328 -0.073 0.000 1.197 415 H CA -0.506 55.443 56.048 -0.166 0.000 1.131 415 H CB 1.694 31.448 29.762 -0.014 0.000 1.849 415 H HN 0.568 nan 8.280 nan 0.000 0.555 416 I N 2.470 123.099 120.570 0.098 0.000 2.362 416 I HA 0.311 4.479 4.170 -0.003 0.000 0.289 416 I C -0.547 175.620 176.117 0.083 0.000 0.994 416 I CA -0.235 61.123 61.300 0.096 0.000 1.158 416 I CB 1.041 39.111 38.000 0.116 0.000 1.315 416 I HN 0.254 nan 8.210 nan 0.000 0.451 417 I N 5.259 125.840 120.570 0.019 0.000 2.412 417 I HA 0.383 4.551 4.170 -0.003 0.000 0.296 417 I C -0.282 175.740 176.117 -0.158 0.000 0.987 417 I CA -0.347 60.921 61.300 -0.053 0.000 1.180 417 I CB 1.902 39.867 38.000 -0.058 0.000 1.340 417 I HN 0.458 nan 8.210 nan 0.000 0.455 418 T N 6.840 121.302 114.554 -0.153 0.000 2.833 418 T HA 0.485 4.833 4.350 -0.003 0.000 0.297 418 T C -0.136 174.423 174.700 -0.234 0.000 1.015 418 T CA -0.489 61.502 62.100 -0.182 0.000 0.963 418 T CB 0.774 69.599 68.868 -0.071 0.000 0.955 418 T HN 0.263 nan 8.240 nan 0.000 0.449 419 L N 2.542 123.534 121.223 -0.385 0.000 2.395 419 L HA 0.675 5.013 4.340 -0.003 0.000 0.269 419 L C 1.155 178.016 176.870 -0.014 0.000 1.133 419 L CA -0.314 54.287 54.840 -0.398 0.000 0.812 419 L CB 0.872 42.328 42.059 -1.006 0.000 1.125 419 L HN 0.769 nan 8.230 nan 0.000 0.452 420 G N 1.286 110.172 108.800 0.142 0.000 3.247 420 G HA2 0.298 4.256 3.960 -0.003 0.000 0.163 420 G HA3 0.298 4.256 3.960 -0.003 0.000 0.163 420 G C -0.567 174.541 174.900 0.346 0.000 1.206 420 G CA -0.343 44.890 45.100 0.222 0.000 0.918 420 G HN 0.440 nan 8.290 nan 0.000 0.625 421 E N 1.360 121.643 120.200 0.138 0.000 2.343 421 E HA 0.303 4.651 4.350 -0.003 0.000 0.269 421 E C -2.155 174.272 176.600 -0.288 0.000 1.047 421 E CA -1.687 54.718 56.400 0.008 0.000 0.874 421 E CB 1.131 30.802 29.700 -0.049 0.000 1.033 421 E HN 0.034 nan 8.360 nan 0.000 0.409 422 P HA 0.012 nan 4.420 nan 0.000 0.267 422 P C 0.744 177.454 177.300 -0.984 0.000 1.200 422 P CA 0.756 63.016 63.100 -1.399 0.000 0.772 422 P CB 0.430 31.772 31.700 -0.597 0.000 0.855 423 G N 0.603 108.514 108.800 -1.481 0.000 2.199 423 G HA2 -0.214 3.744 3.960 -0.003 0.000 0.254 423 G HA3 -0.214 3.744 3.960 -0.003 0.000 0.254 423 G C 0.301 175.095 174.900 -0.177 0.000 0.982 423 G CA 0.478 45.312 45.100 -0.444 0.000 0.632 423 G HN 0.888 nan 8.290 nan 0.000 0.529 424 T N -1.333 113.121 114.554 -0.167 0.000 2.928 424 T HA 0.685 5.033 4.350 -0.003 0.000 0.284 424 T C 0.226 175.149 174.700 0.371 0.000 1.008 424 T CA 0.327 62.491 62.100 0.108 0.000 1.057 424 T CB 1.993 70.894 68.868 0.056 0.000 1.018 424 T HN 0.408 nan 8.240 nan 0.000 0.493 425 S N 4.144 119.996 115.700 0.254 0.000 2.448 425 S HA 0.381 4.849 4.470 -0.003 0.000 0.279 425 S C -1.933 172.766 174.600 0.165 0.000 1.195 425 S CA -0.846 57.497 58.200 0.238 0.000 1.051 425 S CB -0.023 63.272 63.200 0.159 0.000 0.948 425 S HN 0.670 nan 8.310 nan 0.000 0.493 426 P HA 0.179 nan 4.420 nan 0.000 0.274 426 P C -0.460 176.857 177.300 0.028 0.000 1.237 426 P CA -0.604 62.508 63.100 0.021 0.000 0.793 426 P CB 0.406 32.017 31.700 -0.149 0.000 0.977 427 N N 0.245 118.952 118.700 0.011 0.000 2.499 427 N HA 0.334 5.072 4.740 -0.003 0.000 0.281 427 N C -0.835 174.694 175.510 0.033 0.000 1.098 427 N CA -0.227 52.843 53.050 0.032 0.000 0.979 427 N CB 0.424 38.929 38.487 0.031 0.000 1.121 427 N HN 0.443 nan 8.380 nan 0.000 0.466 428 T N 0.250 114.843 114.554 0.065 0.000 2.861 428 T HA 0.638 4.986 4.350 -0.003 0.000 0.287 428 T C -0.236 174.556 174.700 0.154 0.000 1.003 428 T CA -0.780 61.379 62.100 0.099 0.000 0.977 428 T CB 0.706 69.618 68.868 0.074 0.000 0.996 428 T HN 0.412 nan 8.240 nan 0.000 0.448 429 V N 0.091 120.123 119.914 0.197 0.000 3.158 429 V HA 0.836 4.954 4.120 -0.003 0.000 0.311 429 V C -0.722 175.539 176.094 0.279 0.000 1.181 429 V CA -1.505 60.928 62.300 0.222 0.000 1.054 429 V CB 1.536 33.450 31.823 0.152 0.000 1.085 429 V HN 0.854 nan 8.190 nan 0.000 0.446 430 F N 1.572 121.559 119.950 0.062 0.000 2.399 430 F HA 0.723 5.248 4.527 -0.003 0.000 0.342 430 F C 0.790 176.562 175.800 -0.046 0.000 1.106 430 F CA 0.143 58.082 58.000 -0.102 0.000 1.196 430 F CB 1.133 40.067 39.000 -0.109 0.000 1.163 430 F HN 0.899 nan 8.300 nan 0.000 0.547 431 A N 4.672 127.260 122.820 -0.387 0.000 2.279 431 A HA 0.509 4.827 4.320 -0.003 0.000 0.306 431 A C 0.624 178.285 177.584 0.127 0.000 1.300 431 A CA 0.509 52.455 52.037 -0.151 0.000 0.925 431 A CB 0.172 18.944 19.000 -0.378 0.000 1.152 431 A HN 1.128 nan 8.150 nan 0.000 0.544 432 S N 1.910 117.756 115.700 0.243 0.000 3.938 432 S HA -0.335 4.133 4.470 -0.003 0.000 0.624 432 S C 1.080 175.852 174.600 0.287 0.000 2.186 432 S CA 1.876 60.234 58.200 0.264 0.000 4.144 432 S CB -1.031 62.398 63.200 0.382 0.000 0.230 432 S HN 1.371 nan 8.310 nan 0.000 0.755 433 N N 1.924 120.746 118.700 0.205 0.000 2.273 433 N HA 0.412 5.150 4.740 -0.003 0.000 0.231 433 N C 0.232 175.812 175.510 0.116 0.000 1.134 433 N CA 1.712 54.839 53.050 0.128 0.000 0.856 433 N CB 0.282 38.743 38.487 -0.043 0.000 1.068 433 N HN 1.323 nan 8.380 nan 0.000 0.510 434 G N -0.008 108.829 108.800 0.060 0.000 2.796 434 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.571 434 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.571 434 G C -0.592 173.820 174.900 -0.814 0.000 1.370 434 G CA -0.467 44.456 45.100 -0.295 0.000 0.856 434 G HN 0.223 nan 8.290 nan 0.000 0.538 435 L N -0.272 120.451 121.223 -0.832 0.000 2.473 435 L HA 0.213 4.551 4.340 -0.003 0.000 0.268 435 L C 1.693 178.196 176.870 -0.612 0.000 1.215 435 L CA -0.352 53.960 54.840 -0.879 0.000 0.823 435 L CB 0.279 42.043 42.059 -0.491 0.000 1.099 435 L HN 0.652 nan 8.230 nan 0.000 0.483 436 Y N 0.673 120.644 120.300 -0.548 0.000 2.263 436 Y HA -0.024 4.524 4.550 -0.003 0.000 0.292 436 Y C 0.510 175.922 175.900 -0.813 0.000 1.130 436 Y CA 1.198 58.916 58.100 -0.638 0.000 1.179 436 Y CB 0.143 38.208 38.460 -0.659 0.000 0.998 436 Y HN 0.232 nan 8.280 nan 0.000 0.532 437 F N -0.463 119.450 119.950 -0.061 0.000 2.493 437 F HA 0.584 5.109 4.527 -0.003 0.000 0.329 437 F C 0.247 175.940 175.800 -0.179 0.000 1.126 437 F CA -1.809 56.128 58.000 -0.106 0.000 0.937 437 F CB 0.748 39.688 39.000 -0.101 0.000 1.146 437 F HN -0.246 nan 8.300 nan 0.000 0.442 438 A N 5.192 128.012 122.820 0.001 0.000 2.511 438 A HA 0.682 5.000 4.320 -0.003 0.000 0.242 438 A C 0.072 177.586 177.584 -0.116 0.000 1.069 438 A CA -0.241 51.747 52.037 -0.082 0.000 0.763 438 A CB 0.147 19.108 19.000 -0.067 0.000 1.001 438 A HN 0.902 nan 8.150 nan 0.000 0.498 439 R N 0.406 120.771 120.500 -0.223 0.000 2.692 439 R HA 0.768 5.106 4.340 -0.003 0.000 0.269 439 R C -1.077 175.044 176.300 -0.298 0.000 1.030 439 R CA -0.668 55.259 56.100 -0.287 0.000 0.882 439 R CB 1.371 31.441 30.300 -0.383 0.000 1.250 439 R HN 0.557 nan 8.270 nan 0.000 0.465 440 T N 0.397 114.834 114.554 -0.195 0.000 2.896 440 T HA 0.543 4.891 4.350 -0.003 0.000 0.297 440 T C -0.709 173.904 174.700 -0.146 0.000 1.108 440 T CA -0.264 61.716 62.100 -0.199 0.000 1.004 440 T CB 0.565 69.088 68.868 -0.574 0.000 1.159 440 T HN 0.548 nan 8.240 nan 0.000 0.499 441 F N 1.405 121.380 119.950 0.041 0.000 2.871 441 F HA -0.179 4.346 4.527 -0.004 0.000 0.326 441 F C 0.848 176.602 175.800 -0.077 0.000 0.675 441 F CA 0.862 58.816 58.000 -0.077 0.000 1.188 441 F CB -2.941 36.029 39.000 -0.050 0.000 1.567 441 F HN 0.798 nan 8.300 nan 0.000 0.325 442 H N 0.032 119.100 119.070 -0.003 0.000 2.660 442 H HA 0.684 5.237 4.556 -0.004 0.000 0.374 442 H C 0.712 176.020 175.328 -0.033 0.000 1.291 442 H CA 0.443 56.469 56.048 -0.037 0.000 1.437 442 H CB 0.595 30.338 29.762 -0.030 0.000 1.509 442 H HN 0.228 nan 8.280 nan 0.000 0.614 443 T N -2.040 112.500 114.554 -0.024 0.000 2.865 443 T HA 0.635 4.983 4.350 -0.003 0.000 0.294 443 T C -0.604 174.129 174.700 0.056 0.000 1.119 443 T CA -0.590 61.472 62.100 -0.063 0.000 1.007 443 T CB 1.646 70.487 68.868 -0.045 0.000 1.225 443 T HN 0.994 nan 8.240 nan 0.000 0.515 444 S N -0.562 115.192 115.700 0.089 0.000 2.567 444 S HA 0.786 5.254 4.470 -0.003 0.000 0.270 444 S C -0.935 173.781 174.600 0.193 0.000 1.152 444 S CA -0.419 57.893 58.200 0.186 0.000 0.835 444 S CB 1.144 64.577 63.200 0.389 0.000 1.115 444 S HN 2.078 nan 8.310 nan 0.000 0.459 445 V N -1.476 118.585 119.914 0.245 0.000 3.049 445 V HA 0.920 5.038 4.120 -0.003 0.000 0.309 445 V C -0.457 175.761 176.094 0.206 0.000 1.148 445 V CA -0.872 61.553 62.300 0.208 0.000 0.990 445 V CB 1.289 33.234 31.823 0.203 0.000 1.039 445 V HN 1.312 nan 8.190 nan 0.000 0.430 446 V N 5.137 125.154 119.914 0.171 0.000 2.498 446 V HA 0.538 4.656 4.120 -0.003 0.000 0.279 446 V C 0.011 176.166 176.094 0.102 0.000 1.048 446 V CA -0.219 62.178 62.300 0.161 0.000 0.967 446 V CB 0.898 32.835 31.823 0.189 0.000 0.988 446 V HN 0.848 nan 8.190 nan 0.000 0.473 447 L N 7.747 129.021 121.223 0.085 0.000 2.439 447 L HA 0.437 4.776 4.340 -0.003 0.000 0.259 447 L C -1.321 175.480 176.870 -0.115 0.000 1.129 447 L CA -1.816 53.032 54.840 0.014 0.000 0.803 447 L CB 0.881 43.030 42.059 0.150 0.000 1.161 447 L HN 0.414 nan 8.230 nan 0.000 0.462 448 P HA -0.178 nan 4.420 nan 0.000 0.217 448 P C 0.544 177.687 177.300 -0.261 0.000 1.148 448 P CA 1.181 63.978 63.100 -0.504 0.000 0.828 448 P CB -0.043 31.031 31.700 -1.043 0.000 0.783 449 D N -2.006 118.265 120.400 -0.217 0.000 2.349 449 D HA 0.077 4.715 4.640 -0.003 0.000 0.224 449 D C 1.437 177.716 176.300 -0.035 0.000 1.029 449 D CA 0.625 54.555 54.000 -0.116 0.000 0.879 449 D CB -0.924 39.818 40.800 -0.097 0.000 0.906 449 D HN 0.244 nan 8.370 nan 0.000 0.528 450 G N 0.127 108.930 108.800 0.005 0.000 2.199 450 G HA2 -0.290 3.669 3.960 -0.003 0.000 0.254 450 G HA3 -0.290 3.669 3.960 -0.003 0.000 0.254 450 G C 0.411 175.317 174.900 0.011 0.000 0.982 450 G CA 0.430 45.575 45.100 0.075 0.000 0.632 450 G HN 0.865 nan 8.290 nan 0.000 0.529 451 S N -0.104 115.590 115.700 -0.010 0.000 2.592 451 S HA 0.639 5.107 4.470 -0.003 0.000 0.271 451 S C 0.081 174.704 174.600 0.039 0.000 1.326 451 S CA 0.649 58.828 58.200 -0.035 0.000 1.024 451 S CB 1.815 65.011 63.200 -0.007 0.000 0.921 451 S HN 0.586 nan 8.310 nan 0.000 0.527 452 T N 3.238 117.809 114.554 0.028 0.000 2.758 452 T HA 0.414 4.762 4.350 -0.003 0.000 0.285 452 T C -0.899 173.869 174.700 0.114 0.000 0.981 452 T CA -0.262 61.883 62.100 0.075 0.000 0.965 452 T CB 0.180 69.059 68.868 0.020 0.000 0.927 452 T HN 0.555 nan 8.240 nan 0.000 0.448 453 F N 4.743 124.695 119.950 0.004 0.000 2.410 453 F HA 0.656 5.185 4.527 0.003 0.000 0.349 453 F C -0.747 175.046 175.800 -0.011 0.000 1.117 453 F CA -1.477 56.507 58.000 -0.027 0.000 1.104 453 F CB 0.376 39.356 39.000 -0.033 0.000 1.122 453 F HN 0.425 nan 8.300 nan 0.000 0.483 454 I N 5.533 125.694 120.570 -0.682 0.000 2.466 454 I HA 0.393 4.561 4.170 -0.003 0.000 0.289 454 I C -0.320 175.402 176.117 -0.657 0.000 1.026 454 I CA -0.412 60.619 61.300 -0.449 0.000 1.078 454 I CB 2.106 39.915 38.000 -0.318 0.000 1.249 454 I HN 0.559 nan 8.210 nan 0.000 0.429 455 T N 3.440 117.765 114.554 -0.381 0.000 2.868 455 T HA 0.747 5.095 4.350 -0.003 0.000 0.306 455 T C -0.136 174.507 174.700 -0.095 0.000 1.224 455 T CA 0.571 62.489 62.100 -0.303 0.000 1.012 455 T CB 1.626 70.341 68.868 -0.255 0.000 1.221 455 T HN 1.150 nan 8.240 nan 0.000 0.499 456 G N 1.196 109.916 108.800 -0.133 0.000 2.593 456 G HA2 0.390 4.348 3.960 -0.003 0.000 0.237 456 G HA3 0.390 4.348 3.960 -0.003 0.000 0.237 456 G C 0.616 175.450 174.900 -0.111 0.000 1.312 456 G CA 0.300 45.311 45.100 -0.149 0.000 0.896 456 G HN 2.479 nan 8.290 nan 0.000 0.574 457 G N -1.795 106.959 108.800 -0.078 0.000 2.757 457 G HA2 0.531 4.489 3.960 -0.003 0.000 0.638 457 G HA3 0.531 4.489 3.960 -0.003 0.000 0.638 457 G C -0.326 174.488 174.900 -0.143 0.000 1.344 457 G CA 0.909 45.993 45.100 -0.028 0.000 0.855 457 G HN 2.526 nan 8.290 nan 0.000 0.537 458 Q N -1.397 118.326 119.800 -0.128 0.000 2.456 458 Q HA 0.707 5.045 4.340 -0.003 0.000 0.284 458 Q C 0.880 176.783 176.000 -0.162 0.000 1.061 458 Q CA -0.930 54.782 55.803 -0.153 0.000 0.799 458 Q CB 1.836 30.517 28.738 -0.095 0.000 1.445 458 Q HN 0.638 nan 8.270 nan 0.000 0.411 459 R N 0.042 120.462 120.500 -0.133 0.000 2.115 459 R HA 0.063 4.401 4.340 -0.003 0.000 0.226 459 R C 0.159 176.390 176.300 -0.115 0.000 1.100 459 R CA 0.893 56.927 56.100 -0.109 0.000 0.980 459 R CB 0.456 30.715 30.300 -0.068 0.000 0.875 459 R HN 0.631 nan 8.270 nan 0.000 0.445 460 R N -0.466 119.968 120.500 -0.110 0.000 2.532 460 R HA 0.245 4.583 4.340 -0.003 0.000 0.297 460 R C -1.194 175.037 176.300 -0.116 0.000 0.984 460 R CA -0.415 55.624 56.100 -0.102 0.000 0.884 460 R CB 1.837 32.104 30.300 -0.056 0.000 1.182 460 R HN 0.154 nan 8.270 nan 0.000 0.442 461 G N 5.277 113.967 108.800 -0.182 0.000 2.367 461 G HA2 0.344 4.302 3.960 -0.003 0.000 0.280 461 G HA3 0.344 4.302 3.960 -0.003 0.000 0.280 461 G C -0.147 174.793 174.900 0.066 0.000 1.175 461 G CA -0.235 44.748 45.100 -0.195 0.000 1.001 461 G HN 0.580 nan 8.290 nan 0.000 0.437 462 I N 4.375 125.043 120.570 0.164 0.000 2.641 462 I HA 0.173 4.341 4.170 -0.003 0.000 0.275 462 I C -2.420 173.709 176.117 0.020 0.000 1.129 462 I CA -1.841 59.513 61.300 0.089 0.000 1.094 462 I CB 2.538 40.572 38.000 0.056 0.000 1.232 462 I HN 0.253 nan 8.210 nan 0.000 0.503 463 P HA -0.015 nan 4.420 nan 0.000 0.261 463 P C -0.189 176.888 177.300 -0.370 0.000 1.165 463 P CA 0.678 63.333 63.100 -0.742 0.000 0.759 463 P CB 0.021 30.976 31.700 -1.242 0.000 0.772 464 F N -0.538 119.426 119.950 0.023 0.000 2.699 464 F HA -0.208 4.317 4.527 -0.004 0.000 0.343 464 F C 0.602 176.431 175.800 0.048 0.000 0.633 464 F CA 0.823 58.862 58.000 0.065 0.000 1.365 464 F CB -2.034 37.021 39.000 0.091 0.000 1.795 464 F HN 0.335 nan 8.300 nan 0.000 0.304 465 E N 0.782 121.074 120.200 0.153 0.000 2.210 465 E HA 0.358 4.706 4.350 -0.003 0.000 0.266 465 E C -0.359 176.284 176.600 0.072 0.000 0.883 465 E CA -0.571 55.893 56.400 0.107 0.000 0.761 465 E CB 1.000 30.753 29.700 0.088 0.000 1.156 465 E HN 0.033 nan 8.360 nan 0.000 0.412 466 D N 2.831 123.269 120.400 0.062 0.000 2.870 466 D HA 0.057 4.695 4.640 -0.003 0.000 0.241 466 D C -0.256 176.038 176.300 -0.009 0.000 1.234 466 D CA 0.224 54.242 54.000 0.029 0.000 0.844 466 D CB -0.044 40.797 40.800 0.068 0.000 1.051 466 D HN 0.320 nan 8.370 nan 0.000 0.469 467 S N -1.127 114.569 115.700 -0.007 0.000 2.693 467 S HA 0.316 4.784 4.470 -0.003 0.000 0.276 467 S C 0.757 175.318 174.600 -0.065 0.000 1.192 467 S CA -0.402 57.784 58.200 -0.023 0.000 0.994 467 S CB 1.114 64.313 63.200 -0.001 0.000 1.012 467 S HN 0.289 nan 8.310 nan 0.000 0.550 468 T N -2.051 112.462 114.554 -0.069 0.000 3.479 468 T HA -0.118 4.230 4.350 -0.003 0.000 0.396 468 T C -2.017 172.572 174.700 -0.185 0.000 0.768 468 T CA 0.328 62.371 62.100 -0.095 0.000 1.954 468 T CB -2.406 66.420 68.868 -0.070 0.000 1.731 468 T HN 0.652 nan 8.240 nan 0.000 0.661 469 P HA 0.484 nan 4.420 nan 0.000 0.275 469 P C -0.145 176.756 177.300 -0.664 0.000 1.228 469 P CA -0.519 62.256 63.100 -0.540 0.000 0.786 469 P CB 1.331 32.535 31.700 -0.826 0.000 0.927 470 V N 4.169 123.702 119.914 -0.635 0.000 2.328 470 V HA 0.170 4.288 4.120 -0.003 0.000 0.278 470 V C 0.729 176.442 176.094 -0.635 0.000 1.021 470 V CA -0.011 61.932 62.300 -0.596 0.000 0.838 470 V CB 0.211 31.768 31.823 -0.444 0.000 0.999 470 V HN 0.415 nan 8.190 nan 0.000 0.447 471 F N 1.333 121.055 119.950 -0.381 0.000 2.746 471 F HA 0.139 4.663 4.527 -0.004 0.000 0.297 471 F C 1.464 177.076 175.800 -0.313 0.000 1.113 471 F CA 0.135 57.934 58.000 -0.335 0.000 1.367 471 F CB 0.232 39.060 39.000 -0.287 0.000 1.111 471 F HN 0.359 nan 8.300 nan 0.000 0.590 472 T N 3.901 118.311 114.554 -0.241 0.000 2.738 472 T HA 0.281 4.629 4.350 -0.003 0.000 0.298 472 T C -2.423 172.200 174.700 -0.127 0.000 0.962 472 T CA -1.501 60.496 62.100 -0.171 0.000 0.972 472 T CB 1.208 69.950 68.868 -0.210 0.000 0.928 472 T HN -0.214 nan 8.240 nan 0.000 0.474 473 P HA 0.421 nan 4.420 nan 0.000 0.276 473 P C -0.489 176.767 177.300 -0.074 0.000 1.252 473 P CA -0.621 62.383 63.100 -0.160 0.000 0.802 473 P CB 1.033 32.601 31.700 -0.220 0.000 1.035 474 E N 0.200 120.316 120.200 -0.139 0.000 2.367 474 E HA 0.594 4.942 4.350 -0.003 0.000 0.273 474 E C -0.758 175.867 176.600 0.041 0.000 0.903 474 E CA -0.733 55.703 56.400 0.060 0.000 0.764 474 E CB 2.054 31.852 29.700 0.162 0.000 1.252 474 E HN 0.309 nan 8.360 nan 0.000 0.446 475 I N 2.159 122.856 120.570 0.211 0.000 2.433 475 I HA 0.249 4.417 4.170 -0.003 0.000 0.292 475 I C -1.230 174.991 176.117 0.174 0.000 1.001 475 I CA -0.978 60.440 61.300 0.197 0.000 1.119 475 I CB 1.169 39.302 38.000 0.221 0.000 1.289 475 I HN 0.517 nan 8.210 nan 0.000 0.438 476 Y N 6.878 127.070 120.300 -0.180 0.000 2.326 476 Y HA 0.467 5.015 4.550 -0.004 0.000 0.337 476 Y C -0.628 175.070 175.900 -0.338 0.000 1.023 476 Y CA -0.584 57.173 58.100 -0.571 0.000 1.143 476 Y CB 1.274 39.219 38.460 -0.857 0.000 1.183 476 Y HN 0.210 nan 8.280 nan 0.000 0.485 477 V N 10.461 129.864 119.914 -0.852 0.000 2.294 477 V HA 0.212 4.330 4.120 -0.003 0.000 0.272 477 V C -1.688 173.870 176.094 -0.894 0.000 1.027 477 V CA -1.539 60.416 62.300 -0.575 0.000 0.823 477 V CB 1.121 32.850 31.823 -0.158 0.000 1.030 477 V HN 0.754 nan 8.190 nan 0.000 0.457 478 P HA -0.140 nan 4.420 nan 0.000 0.215 478 P C 1.216 178.354 177.300 -0.270 0.000 1.153 478 P CA 1.154 63.933 63.100 -0.534 0.000 0.853 478 P CB 0.553 32.076 31.700 -0.295 0.000 0.788 479 E N -0.082 120.008 120.200 -0.184 0.000 2.160 479 E HA -0.178 4.170 4.350 -0.003 0.000 0.195 479 E C 2.062 178.604 176.600 -0.096 0.000 0.991 479 E CA 1.271 57.616 56.400 -0.091 0.000 0.810 479 E CB -0.758 28.905 29.700 -0.062 0.000 0.742 479 E HN 0.464 nan 8.360 nan 0.000 0.466 480 Q N -0.143 119.564 119.800 -0.155 0.000 2.356 480 Q HA 0.031 4.369 4.340 -0.003 0.000 0.205 480 Q C -0.271 175.631 176.000 -0.162 0.000 0.901 480 Q CA 0.259 55.994 55.803 -0.113 0.000 0.938 480 Q CB 0.532 29.242 28.738 -0.047 0.000 1.081 480 Q HN 0.111 nan 8.270 nan 0.000 0.517 481 D N 1.002 121.229 120.400 -0.288 0.000 2.697 481 D HA -0.138 4.500 4.640 -0.003 0.000 0.238 481 D C -1.314 174.852 176.300 -0.224 0.000 1.152 481 D CA 0.982 54.844 54.000 -0.230 0.000 0.666 481 D CB -0.818 39.988 40.800 0.010 0.000 1.037 481 D HN 0.102 nan 8.370 nan 0.000 0.423 482 T N 0.729 114.988 114.554 -0.493 0.000 2.912 482 T HA 0.568 4.916 4.350 -0.003 0.000 0.299 482 T C -0.307 174.098 174.700 -0.491 0.000 1.052 482 T CA -0.590 61.291 62.100 -0.365 0.000 0.996 482 T CB 0.788 69.412 68.868 -0.408 0.000 1.070 482 T HN 0.028 nan 8.240 nan 0.000 0.465 483 F N 1.765 121.595 119.950 -0.201 0.000 2.399 483 F HA 0.631 5.156 4.527 -0.003 0.000 0.334 483 F C -0.439 175.286 175.800 -0.125 0.000 1.097 483 F CA -0.555 57.433 58.000 -0.020 0.000 1.076 483 F CB 1.067 40.111 39.000 0.073 0.000 1.162 483 F HN 0.477 nan 8.300 nan 0.000 0.495 484 Y N 1.495 122.000 120.300 0.342 0.000 2.406 484 Y HA 0.355 4.905 4.550 -0.001 0.000 0.340 484 Y C -0.160 175.781 175.900 0.067 0.000 0.975 484 Y CA -1.301 56.907 58.100 0.179 0.000 1.056 484 Y CB 1.682 40.192 38.460 0.084 0.000 1.210 484 Y HN 0.400 nan 8.280 nan 0.000 0.448 485 K N 3.025 123.411 120.400 -0.024 0.000 2.295 485 K HA 0.229 4.547 4.320 -0.003 0.000 0.270 485 K C -0.296 176.362 176.600 0.097 0.000 1.011 485 K CA -0.476 55.777 56.287 -0.058 0.000 0.953 485 K CB 0.576 32.929 32.500 -0.246 0.000 0.956 485 K HN 0.567 nan 8.250 nan 0.000 0.477 486 Q N 1.089 120.970 119.800 0.136 0.000 2.418 486 Q HA 0.274 4.612 4.340 -0.003 0.000 0.276 486 Q C -0.372 175.765 176.000 0.228 0.000 1.081 486 Q CA -0.970 54.962 55.803 0.216 0.000 0.864 486 Q CB 0.720 29.642 28.738 0.306 0.000 1.384 486 Q HN 0.478 nan 8.270 nan 0.000 0.467 487 N N 2.560 121.447 118.700 0.312 0.000 2.492 487 N HA 0.189 4.927 4.740 -0.003 0.000 0.260 487 N C -2.217 173.539 175.510 0.410 0.000 1.215 487 N CA -0.726 52.499 53.050 0.292 0.000 0.923 487 N CB 0.227 38.889 38.487 0.292 0.000 1.092 487 N HN 0.252 nan 8.380 nan 0.000 0.448 488 P HA 0.080 nan 4.420 nan 0.000 0.277 488 P C -0.478 176.789 177.300 -0.056 0.000 1.240 488 P CA -0.398 62.757 63.100 0.091 0.000 0.798 488 P CB 0.913 32.607 31.700 -0.010 0.000 0.979 489 N N 0.203 118.671 118.700 -0.386 0.000 2.671 489 N HA 0.209 4.947 4.740 -0.003 0.000 0.303 489 N C -0.007 175.255 175.510 -0.413 0.000 1.277 489 N CA -0.687 51.930 53.050 -0.722 0.000 0.933 489 N CB 0.813 38.269 38.487 -1.719 0.000 1.190 489 N HN 0.215 nan 8.380 nan 0.000 0.600 490 S N -1.157 114.323 115.700 -0.367 0.000 2.666 490 S HA 0.406 4.874 4.470 -0.003 0.000 0.239 490 S C 0.209 174.703 174.600 -0.176 0.000 1.031 490 S CA -0.428 57.537 58.200 -0.392 0.000 1.015 490 S CB 0.004 63.055 63.200 -0.247 0.000 0.981 490 S HN 0.488 nan 8.310 nan 0.000 0.547 491 I N 2.148 122.654 120.570 -0.108 0.000 2.354 491 I HA 0.323 4.491 4.170 -0.003 0.000 0.292 491 I C -0.309 175.759 176.117 -0.082 0.000 0.989 491 I CA -0.783 60.470 61.300 -0.079 0.000 1.188 491 I CB 1.685 39.592 38.000 -0.156 0.000 1.342 491 I HN -0.177 nan 8.210 nan 0.000 0.457 492 V N 7.245 127.095 119.914 -0.107 0.000 2.585 492 V HA 0.140 4.258 4.120 -0.003 0.000 0.296 492 V C 0.443 176.273 176.094 -0.438 0.000 1.035 492 V CA -0.149 61.976 62.300 -0.293 0.000 1.084 492 V CB 0.165 31.863 31.823 -0.207 0.000 0.953 492 V HN 0.597 nan 8.190 nan 0.000 0.483 493 R N 4.443 124.737 120.500 -0.343 0.000 2.415 493 R HA 0.461 4.799 4.340 -0.003 0.000 0.292 493 R C -0.261 175.933 176.300 -0.177 0.000 1.295 493 R CA -0.162 55.774 56.100 -0.273 0.000 1.137 493 R CB 1.274 31.444 30.300 -0.216 0.000 1.135 493 R HN 0.673 nan 8.270 nan 0.000 0.560 494 V N -0.582 119.252 119.914 -0.132 0.000 6.654 494 V HA 0.472 4.590 4.120 -0.003 0.000 0.271 494 V C 0.246 176.308 176.094 -0.054 0.000 1.660 494 V CA -0.867 61.428 62.300 -0.009 0.000 0.586 494 V CB -0.255 31.591 31.823 0.037 0.000 1.532 494 V HN 0.401 nan 8.190 nan 0.000 0.371 495 Y N 1.757 121.844 120.300 -0.355 0.000 2.811 495 Y HA 0.165 4.713 4.550 -0.002 0.000 0.334 495 Y C 1.022 176.598 175.900 -0.539 0.000 1.247 495 Y CA 1.346 58.934 58.100 -0.853 0.000 1.526 495 Y CB -1.131 36.552 38.460 -1.295 0.000 1.284 495 Y HN 0.802 nan 8.280 nan 0.000 0.586 496 H N 1.167 119.582 119.070 -1.092 0.000 2.969 496 H HA -0.171 4.383 4.556 -0.003 0.000 0.269 496 H C 0.120 175.148 175.328 -0.499 0.000 1.230 496 H CA 0.166 55.666 56.048 -0.913 0.000 1.123 496 H CB -1.323 28.061 29.762 -0.631 0.000 1.289 496 H HN 0.580 nan 8.280 nan 0.000 0.364 497 S N 0.539 116.062 115.700 -0.295 0.000 2.687 497 S HA 0.738 5.206 4.470 -0.003 0.000 0.283 497 S C 0.190 174.670 174.600 -0.200 0.000 1.170 497 S CA -0.363 57.717 58.200 -0.200 0.000 1.008 497 S CB 2.517 65.621 63.200 -0.160 0.000 1.026 497 S HN 0.430 nan 8.310 nan 0.000 0.541 498 I N -2.523 117.974 120.570 -0.123 0.000 2.994 498 I HA 0.848 5.016 4.170 -0.003 0.000 0.306 498 I C -0.893 175.240 176.117 0.025 0.000 1.195 498 I CA -0.743 60.512 61.300 -0.075 0.000 1.001 498 I CB 2.097 40.056 38.000 -0.069 0.000 1.244 498 I HN 0.551 nan 8.210 nan 0.000 0.437 499 S N 3.699 119.442 115.700 0.072 0.000 2.548 499 S HA 0.864 5.332 4.470 -0.003 0.000 0.276 499 S C -0.987 173.720 174.600 0.179 0.000 1.129 499 S CA -0.585 57.716 58.200 0.169 0.000 0.931 499 S CB 1.542 64.863 63.200 0.202 0.000 1.068 499 S HN 0.599 nan 8.310 nan 0.000 0.480 500 L N 2.256 123.629 121.223 0.251 0.000 2.409 500 L HA 0.583 4.921 4.340 -0.003 0.000 0.262 500 L C -1.232 175.764 176.870 0.211 0.000 0.992 500 L CA -0.953 54.009 54.840 0.203 0.000 0.817 500 L CB 1.797 43.960 42.059 0.173 0.000 1.350 500 L HN 0.483 nan 8.230 nan 0.000 0.411 501 L N 2.829 124.146 121.223 0.158 0.000 2.331 501 L HA 0.443 4.781 4.340 -0.003 0.000 0.278 501 L C -0.635 176.331 176.870 0.159 0.000 1.106 501 L CA 0.327 55.255 54.840 0.145 0.000 0.824 501 L CB 0.725 42.848 42.059 0.107 0.000 1.142 501 L HN 0.377 nan 8.230 nan 0.000 0.443 502 L N 7.021 128.355 121.223 0.184 0.000 2.399 502 L HA 0.369 4.707 4.340 -0.003 0.000 0.266 502 L C -1.275 175.714 176.870 0.198 0.000 1.114 502 L CA -1.648 53.301 54.840 0.182 0.000 0.804 502 L CB 0.632 42.816 42.059 0.209 0.000 1.146 502 L HN 0.518 nan 8.230 nan 0.000 0.451 503 P HA -0.166 nan 4.420 nan 0.000 0.223 503 P C 0.426 177.820 177.300 0.156 0.000 1.144 503 P CA 0.969 64.133 63.100 0.108 0.000 0.783 503 P CB -0.039 31.695 31.700 0.057 0.000 0.771 504 D N -2.278 118.224 120.400 0.170 0.000 2.340 504 D HA 0.107 4.745 4.640 -0.003 0.000 0.220 504 D C 1.443 177.881 176.300 0.230 0.000 1.039 504 D CA 0.596 54.693 54.000 0.161 0.000 0.866 504 D CB -0.911 39.943 40.800 0.090 0.000 0.913 504 D HN 0.194 nan 8.370 nan 0.000 0.523 505 G N -0.153 108.830 108.800 0.305 0.000 2.175 505 G HA2 -0.302 3.656 3.960 -0.003 0.000 0.244 505 G HA3 -0.302 3.656 3.960 -0.003 0.000 0.244 505 G C 0.337 175.317 174.900 0.134 0.000 0.982 505 G CA -0.067 45.141 45.100 0.180 0.000 0.641 505 G HN 0.453 nan 8.290 nan 0.000 0.527 506 R N -0.661 119.900 120.500 0.101 0.000 2.549 506 R HA 0.658 4.996 4.340 -0.003 0.000 0.267 506 R C -0.121 176.211 176.300 0.053 0.000 1.045 506 R CA -0.590 55.517 56.100 0.012 0.000 1.115 506 R CB 1.570 31.882 30.300 0.021 0.000 1.121 506 R HN 0.075 nan 8.270 nan 0.000 0.543 507 V N 2.003 121.909 119.914 -0.013 0.000 2.483 507 V HA 0.284 4.403 4.120 -0.003 0.000 0.295 507 V C -0.759 175.447 176.094 0.186 0.000 1.035 507 V CA -0.607 61.730 62.300 0.063 0.000 0.896 507 V CB 1.349 33.090 31.823 -0.137 0.000 0.986 507 V HN 0.514 nan 8.190 nan 0.000 0.447 508 F N 5.453 125.470 119.950 0.113 0.000 2.385 508 F HA 0.470 4.993 4.527 -0.006 0.000 0.360 508 F C 0.142 176.029 175.800 0.145 0.000 1.122 508 F CA -0.149 57.928 58.000 0.128 0.000 1.090 508 F CB 0.635 39.728 39.000 0.154 0.000 1.150 508 F HN 0.584 nan 8.300 nan 0.000 0.472 509 N N 4.592 123.213 118.700 -0.132 0.000 2.354 509 N HA 0.694 5.432 4.740 -0.003 0.000 0.287 509 N C -0.770 174.581 175.510 -0.265 0.000 1.016 509 N CA -0.257 52.782 53.050 -0.019 0.000 0.871 509 N CB 1.776 40.450 38.487 0.312 0.000 1.299 509 N HN 0.883 nan 8.380 nan 0.000 0.482 510 G N 0.931 109.611 108.800 -0.201 0.000 2.634 510 G HA2 0.674 4.633 3.960 -0.003 0.000 0.309 510 G HA3 0.674 4.633 3.960 -0.003 0.000 0.309 510 G C -0.211 174.611 174.900 -0.130 0.000 1.299 510 G CA -0.017 44.949 45.100 -0.224 0.000 0.798 510 G HN 0.906 nan 8.290 nan 0.000 0.490 511 G N -1.698 107.043 108.800 -0.098 0.000 2.693 511 G HA2 0.532 4.490 3.960 -0.003 0.000 0.226 511 G HA3 0.532 4.490 3.960 -0.003 0.000 0.226 511 G C 0.811 175.658 174.900 -0.088 0.000 1.354 511 G CA 1.046 46.093 45.100 -0.088 0.000 0.873 511 G HN 3.009 nan 8.290 nan 0.000 0.562 512 G N -2.169 106.587 108.800 -0.074 0.000 3.055 512 G HA2 0.578 4.536 3.960 -0.003 0.000 0.685 512 G HA3 0.578 4.536 3.960 -0.003 0.000 0.685 512 G C 0.887 175.845 174.900 0.097 0.000 1.212 512 G CA 0.651 45.737 45.100 -0.024 0.000 0.822 512 G HN 3.198 nan 8.290 nan 0.000 0.610 513 G N 0.317 109.219 108.800 0.170 0.000 2.594 513 G HA2 0.421 4.379 3.960 -0.003 0.000 0.217 513 G HA3 0.421 4.379 3.960 -0.003 0.000 0.217 513 G C 0.365 175.531 174.900 0.445 0.000 1.163 513 G CA 0.711 45.974 45.100 0.272 0.000 1.074 513 G HN 2.607 nan 8.290 nan 0.000 0.589 514 L N -1.258 120.072 121.223 0.177 0.000 3.330 514 L HA -0.117 4.221 4.340 -0.003 0.000 0.507 514 L C 0.865 177.819 176.870 0.139 0.000 1.310 514 L CA 1.563 56.478 54.840 0.127 0.000 0.906 514 L CB -1.422 40.719 42.059 0.137 0.000 1.811 514 L HN 2.084 nan 8.230 nan 0.000 0.791 515 C N -1.218 118.032 119.300 -0.084 0.000 2.913 515 C HA 0.801 5.259 4.460 -0.003 0.000 0.246 515 C C 2.076 176.917 174.990 -0.249 0.000 1.857 515 C CA -0.349 58.465 59.018 -0.341 0.000 1.690 515 C CB -0.622 26.722 27.740 -0.661 0.000 3.235 515 C HN 1.621 nan 8.230 nan 0.000 0.475 516 G N 2.546 111.232 108.800 -0.190 0.000 2.704 516 G HA2 -0.392 3.566 3.960 -0.003 0.000 0.344 516 G HA3 -0.392 3.566 3.960 -0.003 0.000 0.344 516 G C 0.711 175.549 174.900 -0.104 0.000 1.200 516 G CA 1.409 46.419 45.100 -0.151 0.000 0.962 516 G HN 0.480 nan 8.290 nan 0.000 0.552 517 D N 1.673 122.012 120.400 -0.103 0.000 2.378 517 D HA 0.008 4.646 4.640 -0.003 0.000 0.222 517 D C 1.891 178.153 176.300 -0.063 0.000 0.980 517 D CA 1.177 55.135 54.000 -0.071 0.000 0.907 517 D CB -0.945 39.816 40.800 -0.064 0.000 0.899 517 D HN 0.835 nan 8.370 nan 0.000 0.527 518 C N 0.524 119.775 119.300 -0.083 0.000 2.705 518 C HA 0.300 4.758 4.460 -0.003 0.000 0.382 518 C C 1.976 176.933 174.990 -0.056 0.000 1.322 518 C CA -0.318 58.663 59.018 -0.063 0.000 2.290 518 C CB 0.130 27.831 27.740 -0.065 0.000 2.650 518 C HN 0.302 nan 8.230 nan 0.000 0.695 519 T N -2.965 111.555 114.554 -0.057 0.000 3.206 519 T HA 0.125 4.473 4.350 -0.003 0.000 0.253 519 T C 0.806 175.416 174.700 -0.151 0.000 1.042 519 T CA 0.524 62.568 62.100 -0.094 0.000 0.931 519 T CB -0.894 67.923 68.868 -0.084 0.000 1.029 519 T HN 1.013 nan 8.240 nan 0.000 0.564 520 T N -0.917 113.574 114.554 -0.106 0.000 3.176 520 T HA 0.267 4.615 4.350 -0.003 0.000 0.263 520 T C 0.250 174.838 174.700 -0.188 0.000 1.021 520 T CA -0.741 61.291 62.100 -0.113 0.000 0.905 520 T CB -0.297 68.609 68.868 0.064 0.000 1.057 520 T HN 0.130 nan 8.240 nan 0.000 0.558 521 N N 2.809 121.350 118.700 -0.265 0.000 2.497 521 N HA 0.143 4.881 4.740 -0.003 0.000 0.271 521 N C -0.702 174.487 175.510 -0.534 0.000 1.142 521 N CA 0.016 52.851 53.050 -0.359 0.000 0.965 521 N CB 0.436 38.630 38.487 -0.487 0.000 1.077 521 N HN 0.459 nan 8.380 nan 0.000 0.462 522 H N 2.363 121.258 119.070 -0.290 0.000 2.685 522 H HA 0.196 4.750 4.556 -0.003 0.000 0.307 522 H C -0.220 175.014 175.328 -0.158 0.000 1.017 522 H CA -0.356 55.608 56.048 -0.140 0.000 1.237 522 H CB 0.439 30.140 29.762 -0.101 0.000 1.409 522 H HN 0.431 nan 8.280 nan 0.000 0.488 523 F N 3.148 123.149 119.950 0.085 0.000 2.871 523 F HA 0.076 4.600 4.527 -0.004 0.000 0.317 523 F C 0.273 176.155 175.800 0.136 0.000 1.193 523 F CA -0.387 57.678 58.000 0.108 0.000 1.311 523 F CB -0.094 38.983 39.000 0.128 0.000 1.380 523 F HN 0.530 nan 8.300 nan 0.000 0.557 524 D N -0.329 120.190 120.400 0.200 0.000 2.768 524 D HA 0.765 5.403 4.640 -0.003 0.000 0.327 524 D C -1.262 175.013 176.300 -0.041 0.000 1.302 524 D CA -1.057 53.011 54.000 0.114 0.000 0.897 524 D CB 1.307 42.203 40.800 0.159 0.000 1.420 524 D HN 0.018 nan 8.370 nan 0.000 0.494 525 A N -0.718 122.002 122.820 -0.167 0.000 2.606 525 A HA 0.695 5.013 4.320 -0.003 0.000 0.293 525 A C -1.396 175.992 177.584 -0.326 0.000 1.082 525 A CA -0.751 51.032 52.037 -0.424 0.000 0.685 525 A CB 1.758 20.116 19.000 -1.071 0.000 1.284 525 A HN 0.458 nan 8.150 nan 0.000 0.408 526 Q N 0.288 119.948 119.800 -0.233 0.000 2.458 526 Q HA 0.615 4.954 4.340 -0.003 0.000 0.282 526 Q C -1.208 174.829 176.000 0.061 0.000 1.106 526 Q CA -0.980 54.835 55.803 0.020 0.000 0.814 526 Q CB 2.231 31.141 28.738 0.287 0.000 1.425 526 Q HN 0.599 nan 8.270 nan 0.000 0.437 527 I N 1.450 122.099 120.570 0.132 0.000 2.412 527 I HA 0.353 4.521 4.170 -0.003 0.000 0.296 527 I C -0.765 175.359 176.117 0.012 0.000 0.987 527 I CA -0.494 60.856 61.300 0.083 0.000 1.180 527 I CB 0.880 38.931 38.000 0.084 0.000 1.340 527 I HN 0.541 nan 8.210 nan 0.000 0.455 528 F N 4.947 124.630 119.950 -0.445 0.000 2.444 528 F HA 0.504 5.032 4.527 0.002 0.000 0.342 528 F C -0.132 175.327 175.800 -0.569 0.000 1.121 528 F CA -0.239 57.207 58.000 -0.923 0.000 0.997 528 F CB 1.463 39.527 39.000 -1.560 0.000 1.130 528 F HN 0.358 nan 8.300 nan 0.000 0.454 529 T N 8.092 121.984 114.554 -1.104 0.000 2.770 529 T HA 0.361 4.709 4.350 -0.003 0.000 0.297 529 T C -2.658 171.319 174.700 -1.204 0.000 0.997 529 T CA -1.361 60.246 62.100 -0.821 0.000 0.949 529 T CB 1.074 69.709 68.868 -0.388 0.000 0.941 529 T HN 0.307 nan 8.240 nan 0.000 0.457 530 P HA 0.179 nan 4.420 nan 0.000 0.272 530 P C 0.787 177.697 177.300 -0.651 0.000 1.223 530 P CA -0.376 62.134 63.100 -0.983 0.000 0.784 530 P CB 0.635 31.612 31.700 -1.206 0.000 0.923 531 N N 1.604 120.088 118.700 -0.359 0.000 2.348 531 N HA -0.227 4.511 4.740 -0.003 0.000 0.185 531 N C 1.337 176.810 175.510 -0.062 0.000 1.019 531 N CA 1.171 54.188 53.050 -0.055 0.000 0.880 531 N CB -0.726 37.723 38.487 -0.063 0.000 0.965 531 N HN 0.467 nan 8.380 nan 0.000 0.437 532 Y N -1.051 119.196 120.300 -0.088 0.000 2.651 532 Y HA 0.106 4.651 4.550 -0.009 0.000 0.296 532 Y C 1.219 177.024 175.900 -0.159 0.000 1.150 532 Y CA 0.338 58.371 58.100 -0.111 0.000 1.348 532 Y CB -0.865 37.520 38.460 -0.125 0.000 0.983 532 Y HN 0.081 nan 8.280 nan 0.000 0.555 533 L N -0.989 120.200 121.223 -0.057 0.000 2.607 533 L HA 0.174 4.512 4.340 -0.003 0.000 0.228 533 L C -0.548 176.020 176.870 -0.503 0.000 1.123 533 L CA -0.100 54.581 54.840 -0.264 0.000 0.890 533 L CB -0.133 41.693 42.059 -0.390 0.000 1.103 533 L HN 0.090 nan 8.230 nan 0.000 0.468 534 Y N 0.002 120.270 120.300 -0.053 0.000 2.509 534 Y HA 0.316 4.870 4.550 0.006 0.000 0.341 534 Y C 0.344 176.222 175.900 -0.036 0.000 1.038 534 Y CA -1.642 56.425 58.100 -0.056 0.000 1.089 534 Y CB 1.109 39.516 38.460 -0.088 0.000 1.241 534 Y HN 0.024 nan 8.280 nan 0.000 0.468 535 N N -1.725 117.063 118.700 0.147 0.000 2.530 535 N HA 0.263 5.001 4.740 -0.003 0.000 0.283 535 N C 0.440 175.989 175.510 0.065 0.000 1.238 535 N CA -0.406 52.688 53.050 0.073 0.000 0.971 535 N CB 0.530 39.043 38.487 0.044 0.000 1.195 535 N HN 0.424 nan 8.380 nan 0.000 0.583 536 S N -0.438 115.281 115.700 0.032 0.000 2.400 536 S HA -0.253 4.215 4.470 -0.003 0.000 0.234 536 S C 0.988 175.591 174.600 0.005 0.000 1.049 536 S CA 1.765 59.972 58.200 0.012 0.000 1.039 536 S CB -0.946 62.258 63.200 0.007 0.000 0.856 536 S HN 0.702 nan 8.310 nan 0.000 0.465 537 N N 0.533 119.241 118.700 0.015 0.000 2.521 537 N HA 0.220 4.958 4.740 -0.003 0.000 0.188 537 N C 1.245 176.757 175.510 0.004 0.000 1.146 537 N CA 0.347 53.403 53.050 0.009 0.000 0.893 537 N CB 0.037 38.535 38.487 0.017 0.000 0.975 537 N HN 0.539 nan 8.380 nan 0.000 0.451 538 G N 0.165 108.967 108.800 0.003 0.000 2.179 538 G HA2 -0.269 3.689 3.960 -0.003 0.000 0.260 538 G HA3 -0.269 3.689 3.960 -0.003 0.000 0.260 538 G C -0.065 174.877 174.900 0.070 0.000 0.977 538 G CA -0.174 44.895 45.100 -0.051 0.000 0.641 538 G HN 0.293 nan 8.290 nan 0.000 0.533 539 N N 0.028 118.799 118.700 0.118 0.000 2.434 539 N HA 0.519 5.257 4.740 -0.003 0.000 0.266 539 N C 0.661 176.310 175.510 0.232 0.000 1.223 539 N CA -0.522 52.619 53.050 0.151 0.000 0.972 539 N CB 0.724 39.256 38.487 0.075 0.000 1.207 539 N HN 0.236 nan 8.380 nan 0.000 0.525 540 L N 1.207 122.512 121.223 0.137 0.000 2.455 540 L HA 0.150 4.488 4.340 -0.003 0.000 0.272 540 L C 1.030 177.885 176.870 -0.025 0.000 1.174 540 L CA -0.341 54.476 54.840 -0.037 0.000 0.869 540 L CB 0.223 42.232 42.059 -0.083 0.000 1.130 540 L HN 0.519 nan 8.230 nan 0.000 0.474 541 A N 2.954 125.738 122.820 -0.060 0.000 2.332 541 A HA 0.408 4.726 4.320 -0.003 0.000 0.258 541 A C 0.250 177.813 177.584 -0.035 0.000 1.087 541 A CA -0.382 51.637 52.037 -0.029 0.000 0.802 541 A CB 0.195 19.181 19.000 -0.024 0.000 1.042 541 A HN 0.694 nan 8.150 nan 0.000 0.489 542 T N 2.439 116.983 114.554 -0.017 0.000 2.851 542 T HA 0.369 4.718 4.350 -0.003 0.000 0.298 542 T C 0.247 174.937 174.700 -0.017 0.000 0.977 542 T CA 0.134 62.226 62.100 -0.013 0.000 1.126 542 T CB 0.153 69.018 68.868 -0.004 0.000 0.916 542 T HN 0.602 nan 8.240 nan 0.000 0.529 543 R N 3.348 123.838 120.500 -0.016 0.000 2.474 543 R HA 0.449 4.787 4.340 -0.003 0.000 0.295 543 R C -2.445 173.850 176.300 -0.009 0.000 0.980 543 R CA -2.069 54.022 56.100 -0.016 0.000 0.934 543 R CB 0.551 30.843 30.300 -0.013 0.000 1.101 543 R HN 0.402 nan 8.270 nan 0.000 0.469 544 P HA 0.089 nan 4.420 nan 0.000 0.272 544 P C -1.008 176.292 177.300 -0.001 0.000 1.230 544 P CA -0.147 62.950 63.100 -0.005 0.000 0.788 544 P CB 0.735 32.425 31.700 -0.017 0.000 0.949 545 K N 1.347 121.751 120.400 0.006 0.000 2.371 545 K HA 0.539 4.858 4.320 -0.003 0.000 0.251 545 K C -0.399 176.211 176.600 0.016 0.000 0.934 545 K CA -0.828 55.463 56.287 0.007 0.000 0.798 545 K CB 1.915 34.420 32.500 0.008 0.000 1.204 545 K HN 0.372 nan 8.250 nan 0.000 0.427 546 I N 2.680 123.257 120.570 0.012 0.000 2.291 546 I HA 0.021 4.189 4.170 -0.003 0.000 0.290 546 I C 1.531 177.661 176.117 0.022 0.000 1.050 546 I CA -0.193 61.122 61.300 0.024 0.000 1.245 546 I CB 1.146 39.157 38.000 0.018 0.000 1.405 546 I HN 0.805 nan 8.210 nan 0.000 0.478 547 T N 2.882 117.456 114.554 0.032 0.000 3.014 547 T HA 0.129 4.477 4.350 -0.003 0.000 0.263 547 T C 0.968 175.681 174.700 0.021 0.000 1.078 547 T CA 0.438 62.552 62.100 0.023 0.000 1.135 547 T CB 0.336 69.219 68.868 0.026 0.000 0.895 547 T HN 0.484 nan 8.240 nan 0.000 0.480 548 R N 0.800 121.317 120.500 0.029 0.000 2.707 548 R HA 0.485 4.823 4.340 -0.003 0.000 0.272 548 R C -1.616 174.700 176.300 0.026 0.000 1.011 548 R CA -0.386 55.727 56.100 0.021 0.000 0.893 548 R CB 2.209 32.518 30.300 0.015 0.000 1.233 548 R HN 0.382 nan 8.270 nan 0.000 0.464 549 T N -1.082 113.481 114.554 0.015 0.000 2.937 549 T HA 0.143 4.491 4.350 -0.003 0.000 0.297 549 T C 1.019 175.713 174.700 -0.011 0.000 0.991 549 T CA -0.469 61.636 62.100 0.009 0.000 0.990 549 T CB 1.696 70.581 68.868 0.028 0.000 0.991 549 T HN 0.585 nan 8.240 nan 0.000 0.440 550 S N 2.283 117.962 115.700 -0.036 0.000 2.419 550 S HA 0.046 4.514 4.470 -0.003 0.000 0.235 550 S C 0.940 175.520 174.600 -0.035 0.000 1.019 550 S CA 1.145 59.319 58.200 -0.044 0.000 0.982 550 S CB -0.428 62.728 63.200 -0.072 0.000 0.789 550 S HN 1.132 nan 8.310 nan 0.000 0.490 551 T N -0.950 113.585 114.554 -0.030 0.000 2.830 551 T HA 0.358 4.706 4.350 -0.003 0.000 0.322 551 T C -1.246 173.458 174.700 0.007 0.000 1.501 551 T CA -0.669 61.422 62.100 -0.016 0.000 1.036 551 T CB 1.696 70.545 68.868 -0.031 0.000 1.379 551 T HN 0.129 nan 8.240 nan 0.000 0.493 552 Q N 0.757 120.571 119.800 0.022 0.000 2.189 552 Q HA 0.297 4.635 4.340 -0.003 0.000 0.223 552 Q C -0.287 175.750 176.000 0.060 0.000 0.828 552 Q CA -0.156 55.680 55.803 0.054 0.000 0.967 552 Q CB 1.282 30.059 28.738 0.066 0.000 1.139 552 Q HN 0.418 nan 8.270 nan 0.000 0.497 553 S N 0.598 116.315 115.700 0.028 0.000 2.707 553 S HA 0.528 4.996 4.470 -0.003 0.000 0.303 553 S C -1.406 173.188 174.600 -0.010 0.000 1.132 553 S CA -0.513 57.694 58.200 0.011 0.000 1.046 553 S CB 1.593 64.796 63.200 0.004 0.000 1.004 553 S HN 0.072 nan 8.310 nan 0.000 0.483 554 V N 5.291 125.194 119.914 -0.019 0.000 2.876 554 V HA 0.635 4.753 4.120 -0.003 0.000 0.312 554 V C -1.017 175.052 176.094 -0.041 0.000 1.085 554 V CA -0.814 61.465 62.300 -0.034 0.000 0.945 554 V CB 2.139 33.939 31.823 -0.038 0.000 1.017 554 V HN 0.921 nan 8.190 nan 0.000 0.428 555 K N 3.180 123.555 120.400 -0.042 0.000 2.144 555 K HA 0.536 4.854 4.320 -0.003 0.000 0.270 555 K C -0.427 176.143 176.600 -0.050 0.000 1.005 555 K CA -0.504 55.758 56.287 -0.040 0.000 0.932 555 K CB 1.765 34.244 32.500 -0.035 0.000 1.021 555 K HN 0.760 nan 8.250 nan 0.000 0.462 556 V N -0.235 119.648 119.914 -0.051 0.000 2.788 556 V HA 0.193 4.311 4.120 -0.003 0.000 0.307 556 V C 1.110 177.173 176.094 -0.052 0.000 1.069 556 V CA 0.739 63.002 62.300 -0.063 0.000 1.173 556 V CB 0.010 31.799 31.823 -0.056 0.000 0.925 556 V HN 1.095 nan 8.190 nan 0.000 0.492 557 G N 2.335 111.104 108.800 -0.052 0.000 2.241 557 G HA2 -0.101 3.857 3.960 -0.003 0.000 0.244 557 G HA3 -0.101 3.857 3.960 -0.003 0.000 0.244 557 G C 0.717 175.593 174.900 -0.040 0.000 0.998 557 G CA 0.120 45.195 45.100 -0.041 0.000 0.621 557 G HN 1.880 nan 8.290 nan 0.000 0.519 558 G N -0.094 108.678 108.800 -0.047 0.000 2.569 558 G HA2 0.561 4.519 3.960 -0.003 0.000 0.249 558 G HA3 0.561 4.519 3.960 -0.003 0.000 0.249 558 G C 0.021 174.878 174.900 -0.072 0.000 1.216 558 G CA -0.269 44.796 45.100 -0.057 0.000 0.845 558 G HN 0.561 nan 8.290 nan 0.000 0.568 559 R N -0.475 119.960 120.500 -0.107 0.000 2.664 559 R HA 0.604 4.942 4.340 -0.003 0.000 0.286 559 R C -0.591 175.553 176.300 -0.259 0.000 0.967 559 R CA -0.574 55.417 56.100 -0.183 0.000 0.933 559 R CB 2.061 32.273 30.300 -0.146 0.000 1.146 559 R HN 0.388 nan 8.270 nan 0.000 0.468 560 I N 0.868 121.137 120.570 -0.500 0.000 2.582 560 I HA 0.339 4.507 4.170 -0.003 0.000 0.292 560 I C -0.553 175.188 176.117 -0.626 0.000 1.066 560 I CA -0.675 60.284 61.300 -0.569 0.000 1.053 560 I CB 2.668 40.288 38.000 -0.635 0.000 1.241 560 I HN 0.484 nan 8.210 nan 0.000 0.421 561 T N 6.560 120.926 114.554 -0.312 0.000 2.807 561 T HA 0.703 5.052 4.350 -0.003 0.000 0.279 561 T C -0.362 174.290 174.700 -0.080 0.000 0.993 561 T CA -0.426 61.569 62.100 -0.176 0.000 0.970 561 T CB 1.419 70.224 68.868 -0.105 0.000 0.950 561 T HN 0.509 nan 8.240 nan 0.000 0.441 562 I N -0.353 120.224 120.570 0.011 0.000 3.002 562 I HA 0.899 5.067 4.170 -0.003 0.000 0.310 562 I C -0.581 175.609 176.117 0.123 0.000 1.087 562 I CA -1.045 60.303 61.300 0.080 0.000 1.017 562 I CB 2.565 40.655 38.000 0.151 0.000 1.226 562 I HN 0.552 nan 8.210 nan 0.000 0.443 563 S N 1.438 117.199 115.700 0.101 0.000 2.542 563 S HA 0.814 5.282 4.470 -0.003 0.000 0.293 563 S C -0.273 174.398 174.600 0.119 0.000 1.089 563 S CA -0.559 57.708 58.200 0.112 0.000 0.961 563 S CB 1.689 64.920 63.200 0.053 0.000 1.062 563 S HN 0.927 nan 8.310 nan 0.000 0.483 564 T N -2.169 112.477 114.554 0.154 0.000 2.910 564 T HA 0.563 4.911 4.350 -0.003 0.000 0.287 564 T C -0.189 174.566 174.700 0.093 0.000 1.050 564 T CA -0.568 61.602 62.100 0.117 0.000 1.011 564 T CB 1.359 70.304 68.868 0.128 0.000 1.195 564 T HN 0.580 nan 8.240 nan 0.000 0.540 565 D N -0.644 119.795 120.400 0.065 0.000 2.369 565 D HA 0.178 4.816 4.640 -0.003 0.000 0.211 565 D C 0.371 176.701 176.300 0.050 0.000 1.077 565 D CA -0.180 53.849 54.000 0.047 0.000 0.842 565 D CB -0.130 40.687 40.800 0.029 0.000 0.947 565 D HN 0.668 nan 8.370 nan 0.000 0.509 566 S N -0.987 114.755 115.700 0.069 0.000 2.588 566 S HA 0.471 4.940 4.470 -0.003 0.000 0.269 566 S C -0.532 174.136 174.600 0.113 0.000 1.157 566 S CA -0.804 57.436 58.200 0.066 0.000 0.824 566 S CB 1.154 64.376 63.200 0.037 0.000 1.126 566 S HN 0.184 nan 8.310 nan 0.000 0.464 567 S N 0.870 116.637 115.700 0.111 0.000 2.549 567 S HA 0.557 5.025 4.470 -0.003 0.000 0.279 567 S C 0.161 174.801 174.600 0.067 0.000 1.321 567 S CA -0.718 57.587 58.200 0.175 0.000 1.054 567 S CB -0.736 62.545 63.200 0.136 0.000 0.899 567 S HN 1.072 nan 8.310 nan 0.000 0.497 568 I N 0.143 120.708 120.570 -0.009 0.000 2.603 568 I HA 0.610 4.779 4.170 -0.003 0.000 0.300 568 I C 0.665 176.684 176.117 -0.163 0.000 1.017 568 I CA -0.855 60.333 61.300 -0.187 0.000 1.098 568 I CB 2.261 40.050 38.000 -0.352 0.000 1.279 568 I HN 0.671 nan 8.210 nan 0.000 0.437 569 S N 2.339 117.971 115.700 -0.114 0.000 2.514 569 S HA 0.390 4.858 4.470 -0.003 0.000 0.223 569 S C 0.492 175.040 174.600 -0.087 0.000 1.046 569 S CA -0.081 58.078 58.200 -0.069 0.000 0.914 569 S CB -0.013 63.163 63.200 -0.039 0.000 0.807 569 S HN 0.729 nan 8.310 nan 0.000 0.497 570 K N 0.051 120.380 120.400 -0.119 0.000 2.536 570 K HA 0.808 5.127 4.320 -0.003 0.000 0.269 570 K C -1.723 174.795 176.600 -0.137 0.000 0.965 570 K CA -0.531 55.689 56.287 -0.111 0.000 0.860 570 K CB 2.456 34.903 32.500 -0.089 0.000 1.423 570 K HN 0.245 nan 8.250 nan 0.000 0.438 571 A N 0.577 123.316 122.820 -0.135 0.000 2.572 571 A HA 0.774 5.092 4.320 -0.003 0.000 0.295 571 A C -1.419 176.078 177.584 -0.144 0.000 1.072 571 A CA -0.624 51.319 52.037 -0.156 0.000 0.691 571 A CB 1.732 20.584 19.000 -0.247 0.000 1.291 571 A HN 0.652 nan 8.150 nan 0.000 0.404 572 S N 0.515 116.160 115.700 -0.093 0.000 2.556 572 S HA 0.791 5.259 4.470 -0.003 0.000 0.271 572 S C -1.357 173.257 174.600 0.022 0.000 1.135 572 S CA -0.656 57.520 58.200 -0.040 0.000 0.858 572 S CB 1.138 64.339 63.200 0.002 0.000 1.114 572 S HN 0.823 nan 8.310 nan 0.000 0.468 573 L N 2.103 123.362 121.223 0.059 0.000 2.313 573 L HA 0.618 4.956 4.340 -0.003 0.000 0.283 573 L C -1.013 176.146 176.870 0.483 0.000 1.013 573 L CA -0.757 54.205 54.840 0.204 0.000 0.816 573 L CB 1.474 43.548 42.059 0.026 0.000 1.236 573 L HN 0.666 nan 8.230 nan 0.000 0.419 574 I N 3.799 124.664 120.570 0.492 0.000 2.410 574 I HA 0.365 4.533 4.170 -0.003 0.000 0.286 574 I C 0.067 176.218 176.117 0.058 0.000 1.009 574 I CA -0.587 60.899 61.300 0.310 0.000 1.111 574 I CB 1.915 40.058 38.000 0.238 0.000 1.262 574 I HN 0.580 nan 8.210 nan 0.000 0.443 575 R N 4.768 125.003 120.500 -0.442 0.000 2.543 575 R HA 0.216 4.554 4.340 -0.003 0.000 0.277 575 R C -0.945 175.154 176.300 -0.336 0.000 1.074 575 R CA -0.173 55.358 56.100 -0.949 0.000 1.076 575 R CB 0.561 29.977 30.300 -1.473 0.000 0.993 575 R HN 0.370 nan 8.270 nan 0.000 0.459 576 Y N 1.127 121.305 120.300 -0.203 0.000 2.610 576 Y HA 0.117 4.663 4.550 -0.007 0.000 0.332 576 Y C 1.238 177.110 175.900 -0.046 0.000 1.201 576 Y CA 1.237 59.308 58.100 -0.048 0.000 1.465 576 Y CB 0.873 39.340 38.460 0.011 0.000 1.283 576 Y HN 0.703 nan 8.280 nan 0.000 0.563 577 G N 1.082 109.970 108.800 0.146 0.000 2.462 577 G HA2 0.594 4.552 3.960 -0.003 0.000 0.319 577 G HA3 0.594 4.552 3.960 -0.003 0.000 0.319 577 G C -0.845 174.114 174.900 0.099 0.000 1.171 577 G CA -0.558 44.597 45.100 0.092 0.000 0.920 577 G HN 0.635 nan 8.290 nan 0.000 0.499 578 T N -3.015 111.577 114.554 0.062 0.000 2.900 578 T HA 0.799 5.147 4.350 -0.003 0.000 0.303 578 T C -0.629 174.070 174.700 -0.003 0.000 1.142 578 T CA -0.308 61.823 62.100 0.052 0.000 1.007 578 T CB 2.003 70.930 68.868 0.098 0.000 1.156 578 T HN 1.814 nan 8.240 nan 0.000 0.490 579 A N 1.097 123.881 122.820 -0.061 0.000 2.589 579 A HA 0.909 5.227 4.320 -0.003 0.000 0.296 579 A C -0.418 177.045 177.584 -0.201 0.000 1.062 579 A CA -0.731 51.241 52.037 -0.109 0.000 0.686 579 A CB 1.796 20.750 19.000 -0.076 0.000 1.282 579 A HN 1.400 nan 8.150 nan 0.000 0.404 580 T N -0.008 114.420 114.554 -0.211 0.000 3.128 580 T HA 0.481 4.830 4.350 -0.003 0.000 0.363 580 T C -0.602 173.938 174.700 -0.267 0.000 1.610 580 T CA 0.004 61.944 62.100 -0.267 0.000 1.126 580 T CB 0.264 68.984 68.868 -0.246 0.000 1.416 580 T HN 1.644 nan 8.240 nan 0.000 0.480 581 H N 2.226 120.973 119.070 -0.539 0.000 2.776 581 H HA -0.231 4.324 4.556 -0.003 0.000 0.300 581 H C 1.333 176.256 175.328 -0.674 0.000 1.161 581 H CA 2.722 58.341 56.048 -0.714 0.000 1.147 581 H CB -1.788 27.362 29.762 -1.021 0.000 1.366 581 H HN 1.447 nan 8.280 nan 0.000 0.397 582 T N -6.301 108.025 114.554 -0.380 0.000 6.424 582 T HA -0.255 4.093 4.350 -0.003 0.000 0.279 582 T C 0.297 174.825 174.700 -0.286 0.000 2.176 582 T CA 0.720 62.624 62.100 -0.326 0.000 3.628 582 T CB -2.051 66.620 68.868 -0.328 0.000 1.165 582 T HN 0.439 nan 8.240 nan 0.000 1.080 583 V N 2.602 122.361 119.914 -0.258 0.000 2.465 583 V HA 0.716 4.834 4.120 -0.003 0.000 0.279 583 V C 0.370 176.379 176.094 -0.141 0.000 1.045 583 V CA -0.194 61.999 62.300 -0.178 0.000 0.938 583 V CB 1.503 33.253 31.823 -0.121 0.000 0.986 583 V HN 0.631 nan 8.190 nan 0.000 0.467 584 N N 2.748 121.367 118.700 -0.134 0.000 2.640 584 N HA 0.148 4.886 4.740 -0.003 0.000 0.262 584 N C 0.505 175.954 175.510 -0.101 0.000 1.174 584 N CA 0.092 53.093 53.050 -0.081 0.000 0.791 584 N CB 1.890 40.349 38.487 -0.047 0.000 1.279 584 N HN 0.727 nan 8.380 nan 0.000 0.535 585 T N -1.589 112.909 114.554 -0.094 0.000 3.107 585 T HA 0.159 4.507 4.350 -0.003 0.000 0.249 585 T C 0.551 175.235 174.700 -0.026 0.000 1.096 585 T CA 0.423 62.442 62.100 -0.135 0.000 1.012 585 T CB 0.315 69.120 68.868 -0.107 0.000 0.977 585 T HN 0.178 nan 8.240 nan 0.000 0.527 586 D N 1.627 122.029 120.400 0.003 0.000 2.324 586 D HA 0.037 4.675 4.640 -0.003 0.000 0.212 586 D C 1.206 177.491 176.300 -0.025 0.000 0.984 586 D CA 0.316 54.324 54.000 0.014 0.000 0.885 586 D CB 0.114 40.936 40.800 0.035 0.000 0.996 586 D HN 0.737 nan 8.370 nan 0.000 0.505 587 Q N 1.543 121.344 119.800 0.002 0.000 2.394 587 Q HA 0.325 4.663 4.340 -0.003 0.000 0.248 587 Q C -0.214 175.816 176.000 0.050 0.000 0.992 587 Q CA -0.253 55.546 55.803 -0.007 0.000 0.888 587 Q CB 0.981 29.745 28.738 0.042 0.000 1.257 587 Q HN 0.026 nan 8.270 nan 0.000 0.462 588 R N 0.078 120.590 120.500 0.021 0.000 2.825 588 R HA 0.463 4.801 4.340 -0.003 0.000 0.274 588 R C -1.825 174.584 176.300 0.182 0.000 1.026 588 R CA -1.085 55.097 56.100 0.138 0.000 0.867 588 R CB 1.104 31.527 30.300 0.205 0.000 1.268 588 R HN 0.792 nan 8.270 nan 0.000 0.491 589 R N 1.814 122.463 120.500 0.248 0.000 2.686 589 R HA 0.608 4.946 4.340 -0.003 0.000 0.286 589 R C -1.226 175.245 176.300 0.284 0.000 0.969 589 R CA -0.760 55.511 56.100 0.285 0.000 0.898 589 R CB 1.744 32.167 30.300 0.204 0.000 1.183 589 R HN 0.701 nan 8.270 nan 0.000 0.456 590 I N 5.648 126.387 120.570 0.282 0.000 2.410 590 I HA 0.367 4.535 4.170 -0.003 0.000 0.286 590 I C -2.180 173.963 176.117 0.044 0.000 1.009 590 I CA -2.587 58.792 61.300 0.131 0.000 1.111 590 I CB 2.328 40.336 38.000 0.012 0.000 1.262 590 I HN 0.474 nan 8.210 nan 0.000 0.443 591 P HA 0.292 nan 4.420 nan 0.000 0.279 591 P C -0.953 176.310 177.300 -0.062 0.000 1.239 591 P CA -0.186 62.906 63.100 -0.013 0.000 0.789 591 P CB 0.820 32.527 31.700 0.013 0.000 0.933 592 L N 2.177 123.328 121.223 -0.120 0.000 2.331 592 L HA 0.542 4.880 4.340 -0.003 0.000 0.275 592 L C 0.726 177.552 176.870 -0.073 0.000 1.022 592 L CA -0.610 54.133 54.840 -0.162 0.000 0.812 592 L CB 1.635 43.441 42.059 -0.421 0.000 1.257 592 L HN 0.356 nan 8.230 nan 0.000 0.435 593 T N 0.504 115.054 114.554 -0.007 0.000 2.771 593 T HA 0.652 5.000 4.350 -0.003 0.000 0.281 593 T C -0.432 174.326 174.700 0.097 0.000 0.982 593 T CA -0.707 61.413 62.100 0.034 0.000 0.978 593 T CB 0.966 69.854 68.868 0.034 0.000 0.930 593 T HN 0.275 nan 8.240 nan 0.000 0.447 594 L N 2.708 123.991 121.223 0.100 0.000 2.309 594 L HA 0.500 4.838 4.340 -0.003 0.000 0.282 594 L C 0.486 177.464 176.870 0.179 0.000 1.036 594 L CA -0.793 54.156 54.840 0.182 0.000 0.806 594 L CB 1.622 43.771 42.059 0.149 0.000 1.220 594 L HN 0.686 nan 8.230 nan 0.000 0.429 595 T N 1.815 116.488 114.554 0.198 0.000 2.749 595 T HA 0.169 4.517 4.350 -0.003 0.000 0.287 595 T C -0.102 174.688 174.700 0.150 0.000 0.970 595 T CA -0.410 61.767 62.100 0.127 0.000 0.980 595 T CB 0.585 69.498 68.868 0.075 0.000 0.924 595 T HN 0.387 nan 8.240 nan 0.000 0.456 596 N N 2.965 121.726 118.700 0.102 0.000 2.408 596 N HA 0.135 4.874 4.740 -0.003 0.000 0.257 596 N C 0.486 175.918 175.510 -0.131 0.000 1.064 596 N CA -0.162 52.858 53.050 -0.050 0.000 0.952 596 N CB 0.262 38.751 38.487 0.003 0.000 1.093 596 N HN 0.518 nan 8.380 nan 0.000 0.490 597 N N 2.165 120.732 118.700 -0.222 0.000 2.398 597 N HA 0.167 4.905 4.740 -0.003 0.000 0.188 597 N C 0.264 175.672 175.510 -0.170 0.000 1.122 597 N CA 0.099 53.055 53.050 -0.156 0.000 0.866 597 N CB 0.164 38.569 38.487 -0.137 0.000 0.970 597 N HN 0.737 nan 8.380 nan 0.000 0.462 598 G N -0.026 108.640 108.800 -0.224 0.000 2.757 598 G HA2 0.015 3.973 3.960 -0.003 0.000 0.686 598 G HA3 0.015 3.973 3.960 -0.003 0.000 0.686 598 G C 0.596 175.385 174.900 -0.184 0.000 1.452 598 G CA -0.531 44.467 45.100 -0.171 0.000 0.922 598 G HN 0.508 nan 8.290 nan 0.000 0.588 599 G N 0.008 108.726 108.800 -0.137 0.000 2.176 599 G HA2 -0.116 3.842 3.960 -0.003 0.000 0.252 599 G HA3 -0.116 3.842 3.960 -0.003 0.000 0.252 599 G C 0.566 175.399 174.900 -0.113 0.000 1.024 599 G CA 1.031 46.071 45.100 -0.099 0.000 0.755 599 G HN 2.378 nan 8.290 nan 0.000 0.507 600 N N -1.589 116.998 118.700 -0.188 0.000 2.758 600 N HA -0.186 4.552 4.740 -0.003 0.000 0.248 600 N C 0.011 175.442 175.510 -0.131 0.000 1.076 600 N CA 0.826 53.819 53.050 -0.095 0.000 0.696 600 N CB -0.895 37.639 38.487 0.077 0.000 0.979 600 N HN 0.796 nan 8.380 nan 0.000 0.550 601 S N 0.254 115.690 115.700 -0.441 0.000 2.502 601 S HA 0.737 5.205 4.470 -0.003 0.000 0.304 601 S C -1.313 173.011 174.600 -0.460 0.000 1.097 601 S CA -0.446 57.612 58.200 -0.236 0.000 1.045 601 S CB 0.889 63.999 63.200 -0.149 0.000 1.019 601 S HN 0.276 nan 8.310 nan 0.000 0.481 602 Y N 1.092 121.402 120.300 0.016 0.000 2.544 602 Y HA 0.590 5.138 4.550 -0.004 0.000 0.342 602 Y C 0.185 176.088 175.900 0.005 0.000 1.062 602 Y CA -0.815 57.308 58.100 0.037 0.000 1.023 602 Y CB 2.265 40.776 38.460 0.084 0.000 1.308 602 Y HN 0.545 nan 8.280 nan 0.000 0.457 603 S N 2.134 117.931 115.700 0.162 0.000 2.599 603 S HA 0.862 5.330 4.470 -0.003 0.000 0.287 603 S C -1.591 173.062 174.600 0.088 0.000 1.105 603 S CA -0.765 57.415 58.200 -0.033 0.000 0.899 603 S CB 1.637 64.802 63.200 -0.058 0.000 1.100 603 S HN 0.515 nan 8.310 nan 0.000 0.482 604 F N -0.530 119.434 119.950 0.024 0.000 2.693 604 F HA 0.624 5.148 4.527 -0.006 0.000 0.309 604 F C -1.069 174.719 175.800 -0.020 0.000 1.129 604 F CA -0.979 57.023 58.000 0.003 0.000 0.948 604 F CB 1.241 40.238 39.000 -0.005 0.000 1.315 604 F HN 0.446 nan 8.300 nan 0.000 0.447 605 Q N 1.866 121.813 119.800 0.244 0.000 2.282 605 Q HA 0.667 5.005 4.340 -0.003 0.000 0.260 605 Q C -1.321 174.787 176.000 0.180 0.000 0.964 605 Q CA -1.073 54.803 55.803 0.122 0.000 0.880 605 Q CB 2.526 31.295 28.738 0.052 0.000 1.286 605 Q HN 0.755 nan 8.270 nan 0.000 0.445 606 V N 5.375 125.350 119.914 0.100 0.000 2.649 606 V HA 0.210 4.328 4.120 -0.003 0.000 0.292 606 V C -2.106 173.960 176.094 -0.046 0.000 1.055 606 V CA -1.472 60.827 62.300 -0.001 0.000 1.023 606 V CB 0.956 32.746 31.823 -0.054 0.000 0.992 606 V HN 0.784 nan 8.190 nan 0.000 0.480 607 P HA -0.001 nan 4.420 nan 0.000 0.266 607 P C 0.654 177.911 177.300 -0.073 0.000 1.193 607 P CA 0.319 63.378 63.100 -0.069 0.000 0.770 607 P CB 0.436 32.089 31.700 -0.079 0.000 0.836 608 S N -0.031 115.632 115.700 -0.062 0.000 2.527 608 S HA -0.022 4.446 4.470 -0.003 0.000 0.222 608 S C 0.675 175.233 174.600 -0.071 0.000 0.985 608 S CA 0.275 58.439 58.200 -0.060 0.000 0.921 608 S CB -0.331 62.840 63.200 -0.049 0.000 0.772 608 S HN 0.403 nan 8.310 nan 0.000 0.529 609 D N 2.574 122.920 120.400 -0.091 0.000 2.316 609 D HA 0.253 4.891 4.640 -0.003 0.000 0.245 609 D C 0.980 177.222 176.300 -0.097 0.000 1.171 609 D CA 0.037 53.967 54.000 -0.118 0.000 0.856 609 D CB 1.650 42.339 40.800 -0.185 0.000 1.090 609 D HN 0.296 nan 8.370 nan 0.000 0.476 610 S N 1.724 117.386 115.700 -0.063 0.000 2.555 610 S HA 0.001 4.469 4.470 -0.003 0.000 0.230 610 S C 1.754 176.360 174.600 0.011 0.000 0.978 610 S CA 0.351 58.545 58.200 -0.010 0.000 0.934 610 S CB 0.195 63.401 63.200 0.010 0.000 0.766 610 S HN 0.466 nan 8.310 nan 0.000 0.533 611 G N 0.807 109.559 108.800 -0.080 0.000 2.623 611 G HA2 0.131 4.089 3.960 -0.003 0.000 0.214 611 G HA3 0.131 4.089 3.960 -0.003 0.000 0.214 611 G C 1.136 175.986 174.900 -0.083 0.000 1.138 611 G CA 0.536 45.586 45.100 -0.083 0.000 0.794 611 G HN 0.452 nan 8.290 nan 0.000 0.535 612 V N 0.991 120.822 119.914 -0.138 0.000 2.326 612 V HA 0.272 4.390 4.120 -0.003 0.000 0.237 612 V C 2.161 178.368 176.094 0.188 0.000 1.044 612 V CA 1.345 63.639 62.300 -0.010 0.000 1.035 612 V CB -0.382 31.380 31.823 -0.102 0.000 0.675 612 V HN 0.296 nan 8.190 nan 0.000 0.470 613 A N 1.193 124.060 122.820 0.079 0.000 3.091 613 A HA 0.398 4.716 4.320 -0.003 0.000 0.264 613 A C 0.234 177.976 177.584 0.264 0.000 1.673 613 A CA -0.130 51.937 52.037 0.050 0.000 1.362 613 A CB -1.161 17.714 19.000 -0.208 0.000 1.137 613 A HN 0.486 nan 8.150 nan 0.000 0.617 614 L N 2.391 123.919 121.223 0.508 0.000 2.559 614 L HA 0.082 4.420 4.340 -0.003 0.000 0.282 614 L C -1.670 175.485 176.870 0.475 0.000 1.232 614 L CA -1.092 53.992 54.840 0.408 0.000 0.885 614 L CB 0.365 42.640 42.059 0.359 0.000 1.131 614 L HN 0.375 nan 8.230 nan 0.000 0.498 615 P HA 0.218 nan 4.420 nan 0.000 0.269 615 P C 0.177 177.622 177.300 0.241 0.000 1.215 615 P CA 0.225 63.466 63.100 0.235 0.000 0.780 615 P CB 1.092 32.859 31.700 0.112 0.000 0.898 616 G N 0.762 109.673 108.800 0.185 0.000 2.278 616 G HA2 0.030 3.988 3.960 -0.003 0.000 0.265 616 G HA3 0.030 3.988 3.960 -0.003 0.000 0.265 616 G C -1.836 173.103 174.900 0.065 0.000 1.329 616 G CA -0.832 44.303 45.100 0.058 0.000 1.017 616 G HN 0.311 nan 8.290 nan 0.000 0.472 617 Y N -0.433 119.993 120.300 0.210 0.000 2.310 617 Y HA 0.685 5.234 4.550 -0.002 0.000 0.326 617 Y C 0.065 176.226 175.900 0.434 0.000 1.151 617 Y CA 0.192 58.481 58.100 0.315 0.000 1.195 617 Y CB 1.426 39.934 38.460 0.080 0.000 1.210 617 Y HN 0.605 nan 8.280 nan 0.000 0.483 618 W N 2.341 123.932 121.300 0.485 0.000 3.031 618 W HA 0.661 5.317 4.660 -0.006 0.000 0.337 618 W C -1.158 175.465 176.519 0.173 0.000 1.187 618 W CA -1.054 56.453 57.345 0.271 0.000 1.166 618 W CB 1.326 30.876 29.460 0.149 0.000 1.437 618 W HN 0.202 nan 8.180 nan 0.000 0.551 619 M N 2.894 122.571 119.600 0.129 0.000 2.205 619 M HA 0.391 4.869 4.480 -0.003 0.000 0.344 619 M C -0.863 175.409 176.300 -0.046 0.000 1.085 619 M CA -1.048 54.175 55.300 -0.129 0.000 1.001 619 M CB 1.156 33.527 32.600 -0.382 0.000 1.626 619 M HN 0.261 nan 8.290 nan 0.000 0.442 620 L N 4.487 125.619 121.223 -0.152 0.000 2.272 620 L HA 0.634 4.972 4.340 -0.003 0.000 0.289 620 L C -1.848 174.841 176.870 -0.302 0.000 1.032 620 L CA 0.266 55.036 54.840 -0.116 0.000 0.810 620 L CB 0.397 42.455 42.059 -0.002 0.000 1.205 620 L HN 0.457 nan 8.230 nan 0.000 0.422 621 F N 4.695 124.601 119.950 -0.072 0.000 2.495 621 F HA 0.676 5.198 4.527 -0.009 0.000 0.327 621 F C -0.039 175.682 175.800 -0.131 0.000 1.103 621 F CA -0.682 57.258 58.000 -0.099 0.000 0.949 621 F CB 2.181 41.105 39.000 -0.125 0.000 1.142 621 F HN 0.418 nan 8.300 nan 0.000 0.457 622 V N 0.983 120.930 119.914 0.055 0.000 2.715 622 V HA 0.761 4.879 4.120 -0.003 0.000 0.310 622 V C -0.602 175.458 176.094 -0.056 0.000 1.054 622 V CA -0.920 61.352 62.300 -0.047 0.000 0.928 622 V CB 1.923 33.690 31.823 -0.094 0.000 1.007 622 V HN 0.792 nan 8.190 nan 0.000 0.437 623 M N 4.104 123.644 119.600 -0.099 0.000 2.465 623 M HA 0.515 4.993 4.480 -0.003 0.000 0.316 623 M C -0.310 175.932 176.300 -0.096 0.000 1.121 623 M CA -0.475 54.759 55.300 -0.110 0.000 0.934 623 M CB 2.087 34.604 32.600 -0.138 0.000 1.692 623 M HN 1.012 nan 8.290 nan 0.000 0.444 624 N N 0.300 118.955 118.700 -0.074 0.000 2.405 624 N HA 0.263 5.001 4.740 -0.003 0.000 0.269 624 N C 0.573 176.057 175.510 -0.044 0.000 1.249 624 N CA -0.313 52.706 53.050 -0.051 0.000 0.974 624 N CB 0.237 38.705 38.487 -0.032 0.000 1.204 624 N HN 0.669 nan 8.380 nan 0.000 0.565 625 S N -1.671 114.014 115.700 -0.025 0.000 2.419 625 S HA -0.139 4.329 4.470 -0.003 0.000 0.235 625 S C 1.774 176.361 174.600 -0.021 0.000 1.019 625 S CA 0.774 58.962 58.200 -0.020 0.000 0.982 625 S CB -1.006 62.191 63.200 -0.006 0.000 0.789 625 S HN 0.784 nan 8.310 nan 0.000 0.490 626 A N 1.275 124.083 122.820 -0.020 0.000 2.067 626 A HA 0.434 4.752 4.320 -0.003 0.000 0.219 626 A C 1.958 179.529 177.584 -0.021 0.000 1.158 626 A CA 1.049 53.077 52.037 -0.016 0.000 0.661 626 A CB -1.224 17.770 19.000 -0.010 0.000 0.801 626 A HN 1.592 nan 8.150 nan 0.000 0.452 627 G N -2.211 106.565 108.800 -0.040 0.000 2.144 627 G HA2 -0.158 3.800 3.960 -0.003 0.000 0.218 627 G HA3 -0.158 3.800 3.960 -0.003 0.000 0.218 627 G C 0.068 174.916 174.900 -0.087 0.000 0.988 627 G CA 0.003 45.067 45.100 -0.060 0.000 0.659 627 G HN 0.817 nan 8.290 nan 0.000 0.522 628 V N 3.103 122.975 119.914 -0.070 0.000 2.488 628 V HA 0.469 4.587 4.120 -0.003 0.000 0.277 628 V C -1.065 174.950 176.094 -0.132 0.000 1.046 628 V CA -1.048 61.204 62.300 -0.080 0.000 0.986 628 V CB 1.390 33.191 31.823 -0.037 0.000 0.989 628 V HN 0.294 nan 8.190 nan 0.000 0.475 629 P HA 0.272 nan 4.420 nan 0.000 0.284 629 P C -0.262 177.027 177.300 -0.018 0.000 1.258 629 P CA -0.337 62.667 63.100 -0.161 0.000 0.824 629 P CB 1.560 33.019 31.700 -0.401 0.000 1.038 630 S N 1.259 116.993 115.700 0.057 0.000 2.634 630 S HA 0.305 4.773 4.470 -0.003 0.000 0.261 630 S C 0.777 175.449 174.600 0.119 0.000 1.271 630 S CA -0.660 57.572 58.200 0.053 0.000 0.985 630 S CB -0.099 63.110 63.200 0.016 0.000 0.968 630 S HN 0.469 nan 8.310 nan 0.000 0.568 631 V N -1.152 118.783 119.914 0.036 0.000 2.881 631 V HA 0.751 4.870 4.120 -0.003 0.000 0.303 631 V C 0.649 176.620 176.094 -0.206 0.000 1.070 631 V CA -0.697 61.606 62.300 0.006 0.000 1.074 631 V CB -0.318 31.501 31.823 -0.007 0.000 1.012 631 V HN 1.242 nan 8.190 nan 0.000 0.482 632 A N 3.284 125.813 122.820 -0.486 0.000 2.366 632 A HA 0.598 4.916 4.320 -0.003 0.000 0.249 632 A C 0.547 177.934 177.584 -0.328 0.000 1.084 632 A CA -0.133 51.422 52.037 -0.804 0.000 0.794 632 A CB 0.095 18.474 19.000 -1.035 0.000 1.034 632 A HN 1.085 nan 8.150 nan 0.000 0.491 633 S N -0.025 115.530 115.700 -0.242 0.000 2.475 633 S HA 0.513 4.981 4.470 -0.003 0.000 0.298 633 S C -0.094 174.503 174.600 -0.006 0.000 1.119 633 S CA -0.368 57.788 58.200 -0.074 0.000 1.085 633 S CB 1.330 64.521 63.200 -0.015 0.000 1.028 633 S HN 0.724 nan 8.310 nan 0.000 0.489 634 T N 4.348 118.954 114.554 0.087 0.000 2.806 634 T HA 0.466 4.814 4.350 -0.003 0.000 0.290 634 T C -0.359 174.485 174.700 0.241 0.000 0.966 634 T CA -0.319 61.921 62.100 0.233 0.000 1.060 634 T CB 0.155 69.164 68.868 0.234 0.000 0.927 634 T HN 0.304 nan 8.240 nan 0.000 0.485 635 I N 2.890 123.650 120.570 0.316 0.000 2.545 635 I HA 0.428 4.596 4.170 -0.003 0.000 0.292 635 I C 0.216 176.515 176.117 0.303 0.000 1.040 635 I CA -0.903 60.549 61.300 0.255 0.000 1.068 635 I CB 2.031 40.155 38.000 0.206 0.000 1.251 635 I HN 0.511 nan 8.210 nan 0.000 0.424 636 R N 4.944 125.539 120.500 0.157 0.000 2.229 636 R HA 0.615 4.953 4.340 -0.003 0.000 0.328 636 R C -1.451 174.849 176.300 -0.001 0.000 1.009 636 R CA -0.397 55.675 56.100 -0.047 0.000 0.864 636 R CB 1.230 31.402 30.300 -0.212 0.000 1.085 636 R HN 0.424 nan 8.270 nan 0.000 0.453 637 V N 4.760 124.700 119.914 0.043 0.000 2.370 637 V HA 0.285 4.403 4.120 -0.003 0.000 0.279 637 V C 0.345 176.446 176.094 0.010 0.000 1.029 637 V CA -0.503 61.798 62.300 0.002 0.000 0.870 637 V CB 1.390 33.164 31.823 -0.081 0.000 0.984 637 V HN 0.967 nan 8.190 nan 0.000 0.451 638 T N 2.360 116.903 114.554 -0.020 0.000 2.942 638 T HA 0.737 5.085 4.350 -0.003 0.000 0.289 638 T C -0.391 174.303 174.700 -0.010 0.000 1.044 638 T CA -0.864 61.226 62.100 -0.017 0.000 1.023 638 T CB 1.964 70.813 68.868 -0.032 0.000 1.123 638 T HN 0.640 nan 8.240 nan 0.000 0.512 639 Q N 0.000 119.798 119.800 -0.004 0.000 2.315 639 Q HA 0.000 4.338 4.340 -0.003 0.000 0.214 639 Q CA 0.000 55.800 55.803 -0.006 0.000 1.022 639 Q CB 0.000 28.741 28.738 0.004 0.000 1.108 639 Q HN 0.000 nan 8.270 nan 0.000 0.481