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 1yif_1_A DATA FIRST_RESID 2 DATA SEQUENCE KITNPVLKGF NPDPSICRAG EDYYIAVSTF EWFPGVQIHH SKDLVNWHLV DATA SEQUENCE AHPLQRVSQL DMKGNPNSGG VWAPCLSYSD GKFWLIYTDV KVVDGAWKDC DATA SEQUENCE HNYLVTCETI NGDWSEPIKL NSSGFDASLF HDTDGKKYLL NMLWDHRIDR DATA SEQUENCE HSFGGIVIQE YSDKEQKLIG KPKVIFEGTD RKLTEAPHLY HIGNYYYLLT DATA SEQUENCE AEGGTRYEHA ATIARSANIE GPYEVHPDNP ILTSWHDPGN PLQKCGHASI DATA SEQUENCE VQTHTDEWYL AHLTGRPIHP DDDSIFQQRG YCPLGRETAI QKLYWKDEWP DATA SEQUENCE YVVGGKEGSL EVDAPSIPET IFEATYPEVD EFEDSTLNIN FQTLRIPFTN DATA SEQUENCE ELGSLTQAPN HLRLFGHESL TSTFTQAFVA RRWQSLHFEA ETAVEFYPEN DATA SEQUENCE FQQAAGLVNY YNTENWTALQ VTHDEELGRI LELTICDNFS FSQPLNNKIV DATA SEQUENCE IPREVKYVYL RVNIEKDKYY YFYSFNKEDW HKIDIALESK KLSDDYIRGG DATA SEQUENCE GFFTGAFVGM QCQDTGGNHI PADFRYFRYK EK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.613 176.600 0.022 0.000 0.988 2 K CA 0.000 56.298 56.287 0.019 0.000 0.838 2 K CB 0.000 32.508 32.500 0.014 0.000 1.064 3 I N 3.463 124.058 120.570 0.041 0.000 2.325 3 I HA 0.135 4.306 4.170 0.000 0.000 0.291 3 I C -0.412 175.739 176.117 0.057 0.000 1.019 3 I CA 0.144 61.474 61.300 0.051 0.000 1.302 3 I CB 1.504 39.544 38.000 0.066 0.000 1.401 3 I HN 0.037 nan 8.210 nan 0.000 0.485 4 T N 5.762 120.348 114.554 0.053 0.000 2.756 4 T HA 0.287 4.637 4.350 0.000 0.000 0.290 4 T C 0.008 174.731 174.700 0.038 0.000 0.985 4 T CA -0.710 61.417 62.100 0.046 0.000 0.955 4 T CB 0.299 69.191 68.868 0.040 0.000 0.930 4 T HN 0.400 nan 8.240 nan 0.000 0.451 5 N N 3.993 122.713 118.700 0.033 0.000 2.509 5 N HA 0.379 5.119 4.740 0.000 0.000 0.287 5 N C -2.598 172.917 175.510 0.010 0.000 1.121 5 N CA -1.665 51.389 53.050 0.006 0.000 0.977 5 N CB 1.052 39.546 38.487 0.012 0.000 1.167 5 N HN 0.268 nan 8.380 nan 0.000 0.476 6 P HA 0.114 nan 4.420 nan 0.000 0.275 6 P C 0.912 178.158 177.300 -0.089 0.000 1.227 6 P CA -0.366 62.690 63.100 -0.073 0.000 0.781 6 P CB 1.119 32.775 31.700 -0.073 0.000 0.906 7 V N 3.002 122.816 119.914 -0.167 0.000 2.488 7 V HA -0.033 4.087 4.120 0.000 0.000 0.246 7 V C 0.822 176.745 176.094 -0.286 0.000 1.046 7 V CA 1.349 63.527 62.300 -0.203 0.000 1.053 7 V CB -0.309 31.305 31.823 -0.348 0.000 0.679 7 V HN 0.378 nan 8.190 nan 0.000 0.458 8 L N 1.537 122.538 121.223 -0.370 0.000 2.324 8 L HA 0.408 4.748 4.340 0.000 0.000 0.274 8 L C -0.227 176.505 176.870 -0.230 0.000 1.012 8 L CA -0.268 54.334 54.840 -0.397 0.000 0.859 8 L CB 1.177 42.844 42.059 -0.653 0.000 1.224 8 L HN 0.076 nan 8.230 nan 0.000 0.429 9 K N 1.963 122.285 120.400 -0.131 0.000 2.154 9 K HA 0.688 5.008 4.320 0.000 0.000 0.264 9 K C 0.670 177.229 176.600 -0.067 0.000 1.008 9 K CA 0.009 56.257 56.287 -0.065 0.000 0.937 9 K CB 1.314 33.809 32.500 -0.009 0.000 1.002 9 K HN 0.701 nan 8.250 nan 0.000 0.469 10 G N 1.516 110.304 108.800 -0.020 0.000 2.741 10 G HA2 -0.303 3.657 3.960 0.000 0.000 0.222 10 G HA3 -0.303 3.657 3.960 0.000 0.000 0.222 10 G C -0.672 174.240 174.900 0.019 0.000 1.364 10 G CA -0.507 44.586 45.100 -0.011 0.000 0.866 10 G HN 0.586 nan 8.290 nan 0.000 0.555 11 F N 2.613 122.478 119.950 -0.141 0.000 2.447 11 F HA 0.334 4.861 4.527 0.000 0.000 0.339 11 F C 0.599 176.374 175.800 -0.041 0.000 1.196 11 F CA -0.128 57.826 58.000 -0.077 0.000 0.969 11 F CB -0.582 38.367 39.000 -0.086 0.000 1.106 11 F HN 0.370 nan 8.300 nan 0.000 0.594 12 N N 7.026 125.612 118.700 -0.190 0.000 2.785 12 N HA 0.189 4.930 4.740 0.000 0.000 0.224 12 N C -3.014 172.397 175.510 -0.165 0.000 1.448 12 N CA -0.716 52.156 53.050 -0.297 0.000 0.748 12 N CB 1.662 39.986 38.487 -0.273 0.000 1.385 12 N HN 0.252 nan 8.380 nan 0.000 0.538 13 P HA 0.302 nan 4.420 nan 0.000 0.284 13 P C -0.670 176.583 177.300 -0.078 0.000 1.292 13 P CA -0.054 63.040 63.100 -0.009 0.000 0.800 13 P CB 0.731 32.515 31.700 0.139 0.000 1.188 14 D N -1.803 118.519 120.400 -0.131 0.000 2.802 14 D HA -0.124 4.516 4.640 0.000 0.000 0.229 14 D C -1.952 174.340 176.300 -0.014 0.000 1.203 14 D CA 0.447 54.297 54.000 -0.251 0.000 0.712 14 D CB -1.466 39.048 40.800 -0.478 0.000 0.973 14 D HN 0.344 nan 8.370 nan 0.000 0.407 15 P HA 0.047 nan 4.420 nan 0.000 0.271 15 P C -0.264 177.129 177.300 0.155 0.000 1.220 15 P CA 0.031 63.156 63.100 0.042 0.000 0.768 15 P CB 1.342 33.022 31.700 -0.033 0.000 0.848 16 S N 4.328 120.114 115.700 0.143 0.000 2.532 16 S HA 0.379 4.849 4.470 0.000 0.000 0.256 16 S C -0.198 174.520 174.600 0.196 0.000 1.298 16 S CA -0.832 57.473 58.200 0.175 0.000 1.166 16 S CB -0.599 62.716 63.200 0.192 0.000 1.022 16 S HN 0.427 nan 8.310 nan 0.000 0.480 17 I N 5.463 126.160 120.570 0.212 0.000 2.428 17 I HA 0.614 4.784 4.170 0.000 0.000 0.289 17 I C -0.145 176.182 176.117 0.350 0.000 1.019 17 I CA -0.264 61.209 61.300 0.289 0.000 1.351 17 I CB 0.495 38.658 38.000 0.272 0.000 1.412 17 I HN 0.838 nan 8.210 nan 0.000 0.513 18 C N 6.119 125.677 119.300 0.431 0.000 3.086 18 C HA 0.639 5.099 4.460 0.000 0.000 0.311 18 C C -0.710 174.543 174.990 0.438 0.000 1.260 18 C CA -1.026 58.255 59.018 0.439 0.000 1.426 18 C CB 1.713 29.734 27.740 0.468 0.000 1.826 18 C HN 0.981 nan 8.230 nan 0.000 0.474 19 R N 1.997 122.687 120.500 0.317 0.000 2.532 19 R HA 0.737 5.077 4.340 0.000 0.000 0.295 19 R C -0.640 175.687 176.300 0.045 0.000 0.968 19 R CA -0.116 56.031 56.100 0.078 0.000 0.916 19 R CB 1.714 32.016 30.300 0.004 0.000 1.124 19 R HN 1.276 nan 8.270 nan 0.000 0.463 20 A N 3.415 126.161 122.820 -0.122 0.000 2.763 20 A HA 0.555 4.875 4.320 0.000 0.000 0.325 20 A C 0.454 177.852 177.584 -0.309 0.000 1.209 20 A CA 0.068 51.851 52.037 -0.424 0.000 0.764 20 A CB 0.592 19.270 19.000 -0.536 0.000 1.120 20 A HN 1.099 nan 8.150 nan 0.000 0.463 21 G N 1.760 110.433 108.800 -0.211 0.000 2.595 21 G HA2 -0.286 3.674 3.960 0.000 0.000 0.297 21 G HA3 -0.286 3.674 3.960 0.000 0.000 0.297 21 G C 0.410 175.148 174.900 -0.270 0.000 1.181 21 G CA 0.644 45.639 45.100 -0.174 0.000 0.963 21 G HN 0.709 nan 8.290 nan 0.000 0.541 22 E N 1.619 121.626 120.200 -0.322 0.000 2.558 22 E HA 0.236 4.586 4.350 0.000 0.000 0.205 22 E C -0.704 175.684 176.600 -0.353 0.000 1.006 22 E CA -0.148 55.985 56.400 -0.446 0.000 0.961 22 E CB 0.509 29.888 29.700 -0.535 0.000 1.044 22 E HN 0.453 nan 8.360 nan 0.000 0.465 23 D N 0.228 120.377 120.400 -0.418 0.000 2.248 23 D HA 0.266 4.906 4.640 0.000 0.000 0.246 23 D C -0.762 175.106 176.300 -0.721 0.000 1.027 23 D CA -0.285 53.507 54.000 -0.347 0.000 0.853 23 D CB 1.446 42.205 40.800 -0.069 0.000 1.243 23 D HN -0.024 nan 8.370 nan 0.000 0.462 24 Y N 0.756 120.802 120.300 -0.423 0.000 2.409 24 Y HA 0.395 4.945 4.550 0.000 0.000 0.343 24 Y C -0.594 175.096 175.900 -0.350 0.000 0.973 24 Y CA -0.867 57.082 58.100 -0.253 0.000 1.064 24 Y CB 1.439 39.798 38.460 -0.168 0.000 1.207 24 Y HN 0.241 nan 8.280 nan 0.000 0.452 25 Y N 2.616 123.192 120.300 0.461 0.000 2.512 25 Y HA 0.704 5.255 4.550 0.000 0.000 0.348 25 Y C -0.614 175.537 175.900 0.418 0.000 0.990 25 Y CA -1.252 57.115 58.100 0.446 0.000 1.033 25 Y CB 2.000 40.611 38.460 0.252 0.000 1.259 25 Y HN 0.361 nan 8.280 nan 0.000 0.461 26 I N 2.441 123.300 120.570 0.483 0.000 2.468 26 I HA 0.577 4.747 4.170 0.000 0.000 0.285 26 I C -0.725 175.494 176.117 0.171 0.000 1.039 26 I CA -0.870 60.557 61.300 0.212 0.000 1.074 26 I CB 1.568 39.495 38.000 -0.122 0.000 1.228 26 I HN 0.742 nan 8.210 nan 0.000 0.436 27 A N 6.888 129.787 122.820 0.132 0.000 2.290 27 A HA 0.790 5.110 4.320 0.000 0.000 0.310 27 A C -0.300 177.296 177.584 0.021 0.000 1.202 27 A CA -0.436 51.635 52.037 0.057 0.000 0.837 27 A CB 0.975 20.006 19.000 0.051 0.000 1.139 27 A HN 0.574 nan 8.150 nan 0.000 0.509 28 V N 0.647 120.542 119.914 -0.032 0.000 2.960 28 V HA 0.844 4.965 4.120 0.000 0.000 0.315 28 V C 0.199 176.215 176.094 -0.131 0.000 1.087 28 V CA -0.408 61.841 62.300 -0.084 0.000 0.982 28 V CB 1.357 33.102 31.823 -0.131 0.000 1.039 28 V HN 1.131 nan 8.190 nan 0.000 0.437 29 S N 1.116 116.723 115.700 -0.156 0.000 2.576 29 S HA 0.430 4.900 4.470 0.000 0.000 0.276 29 S C 0.757 175.257 174.600 -0.166 0.000 1.339 29 S CA 0.255 58.314 58.200 -0.234 0.000 1.039 29 S CB 0.934 63.887 63.200 -0.411 0.000 0.902 29 S HN 1.433 nan 8.310 nan 0.000 0.516 30 T N -1.930 112.580 114.554 -0.073 0.000 3.016 30 T HA 0.320 4.670 4.350 0.000 0.000 0.271 30 T C 0.549 175.637 174.700 0.647 0.000 0.968 30 T CA -0.207 62.075 62.100 0.303 0.000 0.891 30 T CB -0.824 68.139 68.868 0.160 0.000 1.149 30 T HN 0.547 nan 8.240 nan 0.000 0.524 31 F N 2.749 122.921 119.950 0.369 0.000 2.640 31 F HA -0.372 4.155 4.527 0.000 0.000 0.227 31 F C 1.975 177.902 175.800 0.211 0.000 1.481 31 F CA 2.045 60.235 58.000 0.318 0.000 1.964 31 F CB -1.144 38.029 39.000 0.289 0.000 0.564 31 F HN 0.327 nan 8.300 nan 0.000 0.224 32 E N 0.604 120.990 120.200 0.310 0.000 2.435 32 E HA -0.065 4.285 4.350 0.000 0.000 0.195 32 E C 0.090 176.616 176.600 -0.123 0.000 1.029 32 E CA 0.653 57.055 56.400 0.003 0.000 0.865 32 E CB -0.375 29.214 29.700 -0.184 0.000 0.833 32 E HN 0.518 nan 8.360 nan 0.000 0.510 33 W N 1.096 122.469 121.300 0.122 0.000 2.266 33 W HA 0.342 5.002 4.660 0.000 0.000 0.317 33 W C -0.141 176.425 176.519 0.077 0.000 1.310 33 W CA -0.573 56.803 57.345 0.051 0.000 1.207 33 W CB 0.327 29.833 29.460 0.076 0.000 1.199 33 W HN -0.113 nan 8.180 nan 0.000 0.544 34 F N 6.087 126.099 119.950 0.103 0.000 2.480 34 F HA 0.513 5.040 4.527 0.000 0.000 0.329 34 F C -1.741 174.012 175.800 -0.078 0.000 1.091 34 F CA -2.968 55.025 58.000 -0.012 0.000 0.972 34 F CB 1.399 40.370 39.000 -0.049 0.000 1.150 34 F HN 0.073 nan 8.300 nan 0.000 0.467 35 P HA 0.186 nan 4.420 nan 0.000 0.275 35 P C -0.367 176.522 177.300 -0.686 0.000 1.228 35 P CA -0.150 62.222 63.100 -1.212 0.000 0.786 35 P CB 0.869 32.097 31.700 -0.787 0.000 0.927 36 G N 1.182 109.577 108.800 -0.674 0.000 2.606 36 G HA2 0.390 4.350 3.960 0.000 0.000 0.252 36 G HA3 0.390 4.350 3.960 0.000 0.000 0.252 36 G C -0.496 174.255 174.900 -0.249 0.000 1.206 36 G CA -0.436 44.478 45.100 -0.310 0.000 0.861 36 G HN 0.468 nan 8.290 nan 0.000 0.561 37 V N -0.276 119.540 119.914 -0.164 0.000 3.541 37 V HA -0.185 3.935 4.120 0.000 0.000 0.501 37 V C 0.012 176.020 176.094 -0.143 0.000 0.682 37 V CA 0.618 62.809 62.300 -0.181 0.000 2.045 37 V CB -1.036 30.616 31.823 -0.286 0.000 2.474 37 V HN 0.934 nan 8.190 nan 0.000 0.507 38 Q N 4.431 124.136 119.800 -0.159 0.000 2.271 38 Q HA 0.703 5.043 4.340 0.000 0.000 0.258 38 Q C -0.379 175.439 176.000 -0.305 0.000 0.936 38 Q CA -0.578 55.023 55.803 -0.337 0.000 0.909 38 Q CB 2.607 31.202 28.738 -0.238 0.000 1.253 38 Q HN 0.734 nan 8.270 nan 0.000 0.440 39 I N 3.190 123.499 120.570 -0.435 0.000 2.418 39 I HA 0.310 4.480 4.170 0.000 0.000 0.287 39 I C -0.193 175.777 176.117 -0.245 0.000 1.008 39 I CA -0.626 60.552 61.300 -0.204 0.000 1.104 39 I CB 1.162 39.061 38.000 -0.168 0.000 1.264 39 I HN 0.475 nan 8.210 nan 0.000 0.438 40 H N 4.673 123.770 119.070 0.046 0.000 2.533 40 H HA 0.430 4.986 4.556 0.000 0.000 0.343 40 H C -0.983 174.603 175.328 0.429 0.000 1.160 40 H CA -0.535 55.611 56.048 0.163 0.000 1.218 40 H CB 2.491 32.350 29.762 0.161 0.000 1.566 40 H HN 0.575 nan 8.280 nan 0.000 0.522 41 H N 0.492 119.743 119.070 0.301 0.000 2.679 41 H HA 0.436 4.992 4.556 0.000 0.000 0.367 41 H C -1.196 174.045 175.328 -0.145 0.000 1.162 41 H CA -0.443 55.627 56.048 0.037 0.000 1.181 41 H CB 2.402 32.074 29.762 -0.150 0.000 1.693 41 H HN 0.593 nan 8.280 nan 0.000 0.538 42 S N 2.058 116.943 115.700 -1.358 0.000 2.567 42 S HA 0.280 4.750 4.470 0.000 0.000 0.270 42 S C -0.376 173.733 174.600 -0.817 0.000 1.152 42 S CA -0.727 56.745 58.200 -1.214 0.000 0.835 42 S CB 1.712 63.534 63.200 -2.296 0.000 1.115 42 S HN 0.738 nan 8.310 nan 0.000 0.459 43 K N 0.999 121.148 120.400 -0.418 0.000 2.367 43 K HA 0.166 4.486 4.320 0.000 0.000 0.198 43 K C 0.302 176.814 176.600 -0.147 0.000 1.132 43 K CA 0.992 57.197 56.287 -0.137 0.000 0.941 43 K CB -0.025 32.419 32.500 -0.094 0.000 1.052 43 K HN 0.796 nan 8.250 nan 0.000 0.507 44 D N 0.143 120.349 120.400 -0.322 0.000 2.398 44 D HA 0.096 4.736 4.640 0.000 0.000 0.210 44 D C 0.926 176.974 176.300 -0.420 0.000 1.094 44 D CA -0.172 53.637 54.000 -0.319 0.000 0.839 44 D CB 0.046 40.698 40.800 -0.247 0.000 0.963 44 D HN 0.062 nan 8.370 nan 0.000 0.506 45 L N -0.988 119.898 121.223 -0.562 0.000 5.051 45 L HA -0.301 4.039 4.340 0.000 0.000 0.432 45 L C 1.075 177.916 176.870 -0.049 0.000 1.055 45 L CA 0.635 55.253 54.840 -0.371 0.000 1.095 45 L CB -1.572 40.213 42.059 -0.457 0.000 1.957 45 L HN 0.100 nan 8.230 nan 0.000 0.727 46 V N -1.666 118.146 119.914 -0.171 0.000 2.521 46 V HA 0.120 4.240 4.120 0.000 0.000 0.239 46 V C 1.143 177.266 176.094 0.048 0.000 1.053 46 V CA 1.296 63.585 62.300 -0.017 0.000 1.073 46 V CB 0.002 31.780 31.823 -0.075 0.000 0.746 46 V HN 0.333 nan 8.190 nan 0.000 0.476 47 N N -0.128 118.491 118.700 -0.135 0.000 2.426 47 N HA 0.302 5.042 4.740 0.000 0.000 0.275 47 N C -1.472 173.997 175.510 -0.069 0.000 1.019 47 N CA -0.158 52.870 53.050 -0.037 0.000 0.941 47 N CB 1.527 39.919 38.487 -0.159 0.000 1.123 47 N HN 0.287 nan 8.380 nan 0.000 0.486 48 W N 0.186 121.606 121.300 0.201 0.000 2.902 48 W HA 0.416 5.077 4.660 0.000 0.000 0.346 48 W C 0.170 176.870 176.519 0.300 0.000 1.139 48 W CA -0.480 57.003 57.345 0.230 0.000 1.139 48 W CB 0.945 30.466 29.460 0.101 0.000 1.439 48 W HN 0.529 nan 8.180 nan 0.000 0.558 49 H N -0.740 118.479 119.070 0.247 0.000 3.086 49 H HA 0.521 5.077 4.556 0.000 0.000 0.353 49 H C -1.712 173.651 175.328 0.059 0.000 1.134 49 H CA -1.456 54.651 56.048 0.098 0.000 1.248 49 H CB 1.076 30.762 29.762 -0.126 0.000 1.878 49 H HN 0.402 nan 8.280 nan 0.000 0.527 50 L N 4.052 125.242 121.223 -0.055 0.000 2.462 50 L HA 0.122 4.462 4.340 0.000 0.000 0.272 50 L C 0.580 177.184 176.870 -0.444 0.000 1.166 50 L CA 0.430 55.029 54.840 -0.401 0.000 0.880 50 L CB 0.948 42.797 42.059 -0.350 0.000 1.142 50 L HN 0.786 nan 8.230 nan 0.000 0.473 51 V N 2.007 121.628 119.914 -0.489 0.000 3.539 51 V HA 0.831 4.951 4.120 0.000 0.000 0.262 51 V C 0.416 176.323 176.094 -0.312 0.000 1.381 51 V CA 0.461 62.517 62.300 -0.406 0.000 1.060 51 V CB -0.343 31.224 31.823 -0.426 0.000 0.842 51 V HN 1.006 nan 8.190 nan 0.000 0.445 52 A N -0.444 122.133 122.820 -0.404 0.000 2.597 52 A HA 0.801 5.121 4.320 0.000 0.000 0.292 52 A C -1.596 175.649 177.584 -0.564 0.000 1.057 52 A CA -0.519 51.310 52.037 -0.347 0.000 0.674 52 A CB 0.807 19.697 19.000 -0.183 0.000 1.278 52 A HN 0.545 nan 8.150 nan 0.000 0.416 53 H N 1.406 120.341 119.070 -0.225 0.000 2.716 53 H HA 0.352 4.908 4.556 0.000 0.000 0.260 53 H C -2.251 172.862 175.328 -0.359 0.000 1.280 53 H CA -1.450 54.418 56.048 -0.301 0.000 1.506 53 H CB 1.334 30.931 29.762 -0.276 0.000 1.514 53 H HN 0.404 nan 8.280 nan 0.000 0.502 54 P HA -0.201 nan 4.420 nan 0.000 0.216 54 P C 0.018 176.996 177.300 -0.536 0.000 1.157 54 P CA 1.239 63.857 63.100 -0.804 0.000 0.880 54 P CB 0.357 31.113 31.700 -1.574 0.000 0.791 55 L N 0.235 121.127 121.223 -0.551 0.000 2.395 55 L HA 0.127 4.467 4.340 0.000 0.000 0.268 55 L C 1.255 177.824 176.870 -0.502 0.000 1.223 55 L CA 0.255 54.798 54.840 -0.494 0.000 1.093 55 L CB -0.386 41.311 42.059 -0.602 0.000 1.349 55 L HN 0.042 nan 8.230 nan 0.000 0.427 56 Q N 1.120 120.765 119.800 -0.257 0.000 2.317 56 Q HA 0.204 4.544 4.340 0.000 0.000 0.220 56 Q C 0.164 176.279 176.000 0.192 0.000 0.873 56 Q CA 0.136 55.860 55.803 -0.132 0.000 0.936 56 Q CB 0.789 29.508 28.738 -0.033 0.000 1.105 56 Q HN 0.555 nan 8.270 nan 0.000 0.520 57 R N -0.004 120.587 120.500 0.151 0.000 2.604 57 R HA 0.271 4.611 4.340 0.000 0.000 0.287 57 R C 0.873 177.285 176.300 0.187 0.000 0.970 57 R CA -0.347 55.854 56.100 0.168 0.000 0.946 57 R CB 1.507 31.856 30.300 0.082 0.000 1.127 57 R HN -0.097 nan 8.270 nan 0.000 0.473 58 V N 1.185 121.160 119.914 0.102 0.000 2.490 58 V HA -0.252 3.868 4.120 0.000 0.000 0.250 58 V C 2.212 178.319 176.094 0.022 0.000 1.061 58 V CA 2.414 64.731 62.300 0.029 0.000 1.064 58 V CB -0.513 31.283 31.823 -0.044 0.000 0.670 58 V HN 0.940 nan 8.190 nan 0.000 0.461 59 S N -0.196 115.517 115.700 0.021 0.000 2.423 59 S HA -0.245 4.226 4.470 0.000 0.000 0.231 59 S C 1.806 176.399 174.600 -0.011 0.000 1.014 59 S CA 1.346 59.548 58.200 0.004 0.000 0.965 59 S CB -0.296 62.912 63.200 0.013 0.000 0.785 59 S HN 0.727 nan 8.310 nan 0.000 0.495 60 Q N -0.292 119.514 119.800 0.010 0.000 2.165 60 Q HA 0.385 4.725 4.340 0.000 0.000 0.197 60 Q C -0.300 175.691 176.000 -0.014 0.000 0.952 60 Q CA 0.446 56.245 55.803 -0.005 0.000 0.848 60 Q CB 0.162 28.880 28.738 -0.032 0.000 0.931 60 Q HN 0.445 nan 8.270 nan 0.000 0.470 61 L N 1.296 122.547 121.223 0.046 0.000 2.491 61 L HA 0.348 4.688 4.340 0.000 0.000 0.267 61 L C -2.035 174.914 176.870 0.132 0.000 0.971 61 L CA -0.427 54.478 54.840 0.108 0.000 0.857 61 L CB 2.013 44.148 42.059 0.126 0.000 1.226 61 L HN -0.159 nan 8.230 nan 0.000 0.408 62 D N 5.194 125.625 120.400 0.052 0.000 2.460 62 D HA 0.373 5.013 4.640 0.000 0.000 0.232 62 D C 0.038 176.336 176.300 -0.003 0.000 1.079 62 D CA -0.080 53.918 54.000 -0.004 0.000 0.864 62 D CB 0.912 41.704 40.800 -0.014 0.000 1.048 62 D HN 0.599 nan 8.370 nan 0.000 0.523 63 M N 2.203 121.781 119.600 -0.036 0.000 2.484 63 M HA 0.137 4.617 4.480 0.000 0.000 0.307 63 M C 0.567 176.778 176.300 -0.148 0.000 1.149 63 M CA -0.402 54.868 55.300 -0.050 0.000 0.972 63 M CB 0.370 32.975 32.600 0.008 0.000 1.400 63 M HN 0.075 nan 8.290 nan 0.000 0.508 64 K N 1.144 121.444 120.400 -0.167 0.000 2.412 64 K HA 0.227 4.547 4.320 0.000 0.000 0.284 64 K C 1.052 177.387 176.600 -0.443 0.000 1.046 64 K CA 1.083 57.222 56.287 -0.246 0.000 0.999 64 K CB 0.231 32.675 32.500 -0.093 0.000 0.941 64 K HN 0.456 nan 8.250 nan 0.000 0.474 65 G N 2.740 111.007 108.800 -0.888 0.000 2.195 65 G HA2 -0.259 3.701 3.960 0.000 0.000 0.246 65 G HA3 -0.259 3.701 3.960 0.000 0.000 0.246 65 G C -0.215 174.403 174.900 -0.470 0.000 0.984 65 G CA -0.087 44.326 45.100 -1.146 0.000 0.633 65 G HN 0.672 nan 8.290 nan 0.000 0.525 66 N N 2.669 121.194 118.700 -0.293 0.000 2.407 66 N HA 0.389 5.129 4.740 0.000 0.000 0.250 66 N C -1.610 173.834 175.510 -0.110 0.000 1.236 66 N CA -0.464 52.504 53.050 -0.137 0.000 0.879 66 N CB 0.885 39.332 38.487 -0.066 0.000 1.088 66 N HN 0.316 nan 8.380 nan 0.000 0.450 67 P HA 0.031 nan 4.420 nan 0.000 0.272 67 P C -0.649 176.653 177.300 0.003 0.000 1.240 67 P CA -0.343 62.745 63.100 -0.020 0.000 0.791 67 P CB 0.622 32.327 31.700 0.009 0.000 0.978 68 N N 0.446 119.140 118.700 -0.011 0.000 2.412 68 N HA -0.025 4.715 4.740 0.000 0.000 0.254 68 N C 0.669 176.184 175.510 0.009 0.000 1.232 68 N CA 0.634 53.672 53.050 -0.020 0.000 0.880 68 N CB -0.422 38.046 38.487 -0.031 0.000 1.076 68 N HN 0.383 nan 8.380 nan 0.000 0.458 69 S N -1.420 114.284 115.700 0.006 0.000 3.382 69 S HA -0.144 4.326 4.470 0.000 0.000 0.293 69 S C 0.854 175.764 174.600 0.517 0.000 1.262 69 S CA 1.041 59.266 58.200 0.041 0.000 0.969 69 S CB -1.359 61.654 63.200 -0.312 0.000 1.136 69 S HN 0.906 nan 8.310 nan 0.000 0.635 70 G N 0.015 109.075 108.800 0.433 0.000 2.574 70 G HA2 0.702 4.662 3.960 0.000 0.000 0.248 70 G HA3 0.702 4.662 3.960 0.000 0.000 0.248 70 G C 0.899 176.101 174.900 0.504 0.000 1.422 70 G CA 0.313 45.705 45.100 0.485 0.000 1.051 70 G HN 1.494 nan 8.290 nan 0.000 0.560 71 G N -1.795 107.156 108.800 0.252 0.000 2.531 71 G HA2 -0.162 3.799 3.960 0.000 0.000 0.274 71 G HA3 -0.162 3.799 3.960 0.000 0.000 0.274 71 G C 0.187 175.220 174.900 0.222 0.000 1.159 71 G CA 0.196 45.419 45.100 0.206 0.000 0.969 71 G HN 1.492 nan 8.290 nan 0.000 0.554 72 V N 1.702 121.712 119.914 0.161 0.000 2.400 72 V HA 0.311 4.431 4.120 0.000 0.000 0.263 72 V C 0.762 176.713 176.094 -0.239 0.000 1.026 72 V CA 0.422 62.746 62.300 0.040 0.000 1.077 72 V CB -0.535 31.277 31.823 -0.019 0.000 1.054 72 V HN 0.460 nan 8.190 nan 0.000 0.477 73 W N 2.383 123.431 121.300 -0.421 0.000 1.896 73 W HA 0.638 5.298 4.660 0.000 0.000 0.557 73 W C 0.897 177.201 176.519 -0.358 0.000 2.048 73 W CA -0.931 56.069 57.345 -0.574 0.000 2.331 73 W CB 0.025 29.339 29.460 -0.243 0.000 2.223 73 W HN 0.500 nan 8.180 nan 0.000 0.777 74 A N 4.134 126.990 122.820 0.060 0.000 2.561 74 A HA 0.208 4.528 4.320 0.000 0.000 0.251 74 A C -1.972 175.717 177.584 0.174 0.000 1.062 74 A CA -0.387 51.695 52.037 0.074 0.000 0.761 74 A CB -1.304 17.816 19.000 0.200 0.000 0.986 74 A HN 0.191 nan 8.150 nan 0.000 0.510 75 P HA 0.480 nan 4.420 nan 0.000 0.285 75 P C -1.023 176.420 177.300 0.238 0.000 1.285 75 P CA -0.758 62.445 63.100 0.171 0.000 0.854 75 P CB 1.592 33.341 31.700 0.082 0.000 1.180 76 C N 2.566 122.012 119.300 0.243 0.000 2.442 76 C HA 0.603 5.063 4.460 0.000 0.000 0.335 76 C C -0.914 174.238 174.990 0.269 0.000 1.134 76 C CA -0.547 58.635 59.018 0.273 0.000 1.344 76 C CB -0.875 27.044 27.740 0.299 0.000 1.956 76 C HN 0.514 nan 8.230 nan 0.000 0.438 77 L N 6.775 128.161 121.223 0.272 0.000 2.296 77 L HA 0.840 5.180 4.340 0.000 0.000 0.286 77 L C 0.109 177.233 176.870 0.423 0.000 1.023 77 L CA 0.766 55.815 54.840 0.348 0.000 0.812 77 L CB 1.690 43.925 42.059 0.294 0.000 1.223 77 L HN 0.879 nan 8.230 nan 0.000 0.421 78 S N 3.557 119.582 115.700 0.542 0.000 2.661 78 S HA 0.668 5.138 4.470 0.000 0.000 0.285 78 S C -1.321 173.653 174.600 0.623 0.000 1.138 78 S CA -0.702 57.822 58.200 0.539 0.000 0.855 78 S CB 1.533 65.036 63.200 0.506 0.000 1.136 78 S HN 0.535 nan 8.310 nan 0.000 0.484 79 Y N 0.595 121.043 120.300 0.246 0.000 2.373 79 Y HA 0.727 5.277 4.550 0.000 0.000 0.336 79 Y C -0.547 175.282 175.900 -0.118 0.000 0.979 79 Y CA -0.087 58.022 58.100 0.014 0.000 1.080 79 Y CB 1.837 40.203 38.460 -0.158 0.000 1.190 79 Y HN 1.064 nan 8.280 nan 0.000 0.446 80 S N 3.924 119.265 115.700 -0.599 0.000 2.558 80 S HA 0.359 4.829 4.470 0.000 0.000 0.277 80 S C -1.581 172.848 174.600 -0.286 0.000 1.143 80 S CA -0.478 57.380 58.200 -0.570 0.000 0.865 80 S CB 0.771 63.324 63.200 -1.077 0.000 1.102 80 S HN 0.800 nan 8.310 nan 0.000 0.454 81 D N 1.934 122.175 120.400 -0.264 0.000 2.772 81 D HA -0.147 4.493 4.640 0.000 0.000 0.233 81 D C 0.810 176.981 176.300 -0.215 0.000 1.143 81 D CA 2.292 56.214 54.000 -0.129 0.000 0.700 81 D CB -1.630 39.218 40.800 0.079 0.000 1.076 81 D HN 1.685 nan 8.370 nan 0.000 0.430 82 G N -0.180 108.371 108.800 -0.416 0.000 2.176 82 G HA2 -0.329 3.631 3.960 0.000 0.000 0.252 82 G HA3 -0.329 3.631 3.960 0.000 0.000 0.252 82 G C 0.178 174.861 174.900 -0.362 0.000 1.024 82 G CA 1.084 45.981 45.100 -0.338 0.000 0.755 82 G HN 0.872 nan 8.290 nan 0.000 0.507 83 K N -1.775 118.262 120.400 -0.604 0.000 2.607 83 K HA 0.714 5.034 4.320 0.000 0.000 0.287 83 K C -1.049 175.276 176.600 -0.457 0.000 0.996 83 K CA -1.402 54.613 56.287 -0.454 0.000 0.876 83 K CB 0.914 33.142 32.500 -0.453 0.000 1.496 83 K HN 0.007 nan 8.250 nan 0.000 0.415 84 F N 0.666 120.546 119.950 -0.117 0.000 2.385 84 F HA 0.454 4.981 4.527 0.000 0.000 0.336 84 F C -0.625 175.218 175.800 0.070 0.000 1.100 84 F CA 0.040 58.122 58.000 0.138 0.000 1.116 84 F CB 0.925 39.992 39.000 0.112 0.000 1.166 84 F HN 0.358 nan 8.300 nan 0.000 0.511 85 W N 5.069 126.645 121.300 0.461 0.000 2.471 85 W HA 0.608 5.268 4.660 0.000 0.000 0.318 85 W C -1.371 175.418 176.519 0.450 0.000 1.034 85 W CA -0.782 56.813 57.345 0.417 0.000 1.224 85 W CB 1.309 30.972 29.460 0.338 0.000 1.335 85 W HN 0.144 nan 8.180 nan 0.000 0.452 86 L N 5.784 127.377 121.223 0.617 0.000 2.319 86 L HA 0.595 4.935 4.340 0.000 0.000 0.281 86 L C -1.034 176.051 176.870 0.359 0.000 1.005 86 L CA -0.732 54.331 54.840 0.371 0.000 0.828 86 L CB 0.477 42.544 42.059 0.014 0.000 1.227 86 L HN 0.215 nan 8.230 nan 0.000 0.415 87 I N 6.549 127.300 120.570 0.301 0.000 2.336 87 I HA 0.350 4.520 4.170 0.000 0.000 0.292 87 I C -0.390 175.895 176.117 0.279 0.000 0.991 87 I CA -0.391 61.046 61.300 0.229 0.000 1.227 87 I CB 0.686 38.779 38.000 0.155 0.000 1.366 87 I HN 0.688 nan 8.210 nan 0.000 0.466 88 Y N 3.019 123.390 120.300 0.118 0.000 2.609 88 Y HA 0.816 5.366 4.550 0.000 0.000 0.342 88 Y C -0.606 175.383 175.900 0.149 0.000 1.058 88 Y CA -0.974 57.189 58.100 0.105 0.000 1.055 88 Y CB 1.465 39.957 38.460 0.053 0.000 1.292 88 Y HN 0.402 nan 8.280 nan 0.000 0.476 89 T N 1.247 115.935 114.554 0.223 0.000 2.907 89 T HA 0.318 4.668 4.350 0.000 0.000 0.292 89 T C -1.830 172.976 174.700 0.177 0.000 1.043 89 T CA -0.633 61.524 62.100 0.095 0.000 1.003 89 T CB 1.596 70.474 68.868 0.016 0.000 1.084 89 T HN 0.672 nan 8.240 nan 0.000 0.483 90 D N 2.088 122.573 120.400 0.142 0.000 2.446 90 D HA 0.352 4.992 4.640 0.000 0.000 0.251 90 D C -0.738 175.529 176.300 -0.055 0.000 1.137 90 D CA -0.475 53.615 54.000 0.150 0.000 0.890 90 D CB 0.716 41.715 40.800 0.330 0.000 1.071 90 D HN 0.193 nan 8.370 nan 0.000 0.528 91 V N 5.647 125.436 119.914 -0.208 0.000 2.427 91 V HA 0.162 4.282 4.120 0.000 0.000 0.268 91 V C 1.433 177.422 176.094 -0.174 0.000 1.046 91 V CA -0.268 61.799 62.300 -0.389 0.000 0.970 91 V CB 1.317 32.605 31.823 -0.891 0.000 1.001 91 V HN 0.386 nan 8.190 nan 0.000 0.476 92 K N 3.321 123.619 120.400 -0.171 0.000 2.242 92 K HA 0.213 4.533 4.320 0.000 0.000 0.200 92 K C 0.139 176.695 176.600 -0.073 0.000 1.050 92 K CA 0.656 56.894 56.287 -0.082 0.000 0.981 92 K CB 0.617 33.085 32.500 -0.053 0.000 0.795 92 K HN 0.469 nan 8.250 nan 0.000 0.477 93 V N 2.239 122.083 119.914 -0.117 0.000 2.444 93 V HA 0.146 4.266 4.120 0.000 0.000 0.294 93 V C 0.601 176.648 176.094 -0.078 0.000 1.022 93 V CA -0.620 61.641 62.300 -0.064 0.000 0.850 93 V CB 1.856 33.655 31.823 -0.040 0.000 0.992 93 V HN 0.001 nan 8.190 nan 0.000 0.426 94 V N -0.760 119.167 119.914 0.023 0.000 3.427 94 V HA 0.530 4.650 4.120 0.000 0.000 0.305 94 V C 0.103 176.273 176.094 0.127 0.000 1.412 94 V CA 0.238 62.603 62.300 0.108 0.000 1.086 94 V CB 0.131 32.095 31.823 0.235 0.000 0.964 94 V HN 0.727 nan 8.190 nan 0.000 0.439 95 D N -0.071 120.392 120.400 0.105 0.000 2.581 95 D HA 0.649 5.289 4.640 0.000 0.000 0.232 95 D C 0.285 176.689 176.300 0.174 0.000 1.143 95 D CA 0.947 55.031 54.000 0.140 0.000 0.881 95 D CB 2.470 43.333 40.800 0.105 0.000 1.500 95 D HN 0.538 nan 8.370 nan 0.000 0.458 96 G N 0.106 109.029 108.800 0.204 0.000 2.627 96 G HA2 -0.006 3.954 3.960 0.000 0.000 0.214 96 G HA3 -0.006 3.954 3.960 0.000 0.000 0.214 96 G C 0.673 175.752 174.900 0.297 0.000 1.331 96 G CA 0.255 45.495 45.100 0.234 0.000 0.891 96 G HN 0.627 nan 8.290 nan 0.000 0.539 97 A N -1.129 121.852 122.820 0.269 0.000 1.969 97 A HA 0.271 4.591 4.320 0.000 0.000 0.218 97 A C 1.190 178.938 177.584 0.273 0.000 1.169 97 A CA 1.550 53.662 52.037 0.126 0.000 0.635 97 A CB -0.192 18.691 19.000 -0.195 0.000 0.810 97 A HN 0.692 nan 8.150 nan 0.000 0.445 98 W N -1.529 119.980 121.300 0.349 0.000 2.497 98 W HA 0.587 5.247 4.660 0.000 0.000 0.359 98 W C 0.250 176.746 176.519 -0.039 0.000 1.131 98 W CA -0.620 56.899 57.345 0.291 0.000 1.280 98 W CB 1.303 30.803 29.460 0.067 0.000 1.319 98 W HN -0.005 nan 8.180 nan 0.000 0.626 99 K N 1.444 121.737 120.400 -0.178 0.000 3.301 99 K HA 0.093 4.413 4.320 0.000 0.000 0.170 99 K C -0.710 175.652 176.600 -0.397 0.000 1.061 99 K CA -0.088 55.856 56.287 -0.573 0.000 0.807 99 K CB -0.297 31.357 32.500 -1.410 0.000 0.889 99 K HN 0.188 nan 8.250 nan 0.000 0.564 100 D N 1.861 122.139 120.400 -0.203 0.000 2.581 100 D HA -0.059 4.581 4.640 0.000 0.000 0.238 100 D C 0.134 176.188 176.300 -0.409 0.000 1.145 100 D CA 0.920 54.769 54.000 -0.251 0.000 0.866 100 D CB 0.271 40.959 40.800 -0.187 0.000 1.151 100 D HN 0.545 nan 8.370 nan 0.000 0.500 101 C N 2.310 121.282 119.300 -0.546 0.000 3.288 101 C HA 0.581 5.041 4.460 0.000 0.000 0.318 101 C C -1.081 173.429 174.990 -0.800 0.000 1.356 101 C CA -0.944 57.716 59.018 -0.597 0.000 1.359 101 C CB 2.514 29.978 27.740 -0.459 0.000 1.688 101 C HN 0.654 nan 8.230 nan 0.000 0.467 102 H N 1.288 120.244 119.070 -0.190 0.000 2.759 102 H HA 0.515 5.071 4.556 0.000 0.000 0.354 102 H C -1.095 173.885 175.328 -0.581 0.000 1.074 102 H CA -0.364 55.468 56.048 -0.360 0.000 1.226 102 H CB 1.780 31.331 29.762 -0.350 0.000 1.648 102 H HN 0.675 nan 8.280 nan 0.000 0.529 103 N N 2.462 120.856 118.700 -0.509 0.000 2.473 103 N HA 0.270 5.010 4.740 0.000 0.000 0.291 103 N C -0.705 174.341 175.510 -0.772 0.000 1.083 103 N CA -0.138 52.620 53.050 -0.486 0.000 0.951 103 N CB 1.536 39.884 38.487 -0.231 0.000 1.164 103 N HN 0.449 nan 8.380 nan 0.000 0.480 104 Y N -0.023 120.026 120.300 -0.418 0.000 2.634 104 Y HA 0.581 5.131 4.550 0.000 0.000 0.340 104 Y C -0.464 175.243 175.900 -0.322 0.000 1.058 104 Y CA -1.187 56.648 58.100 -0.443 0.000 1.081 104 Y CB 1.521 39.536 38.460 -0.741 0.000 1.295 104 Y HN 0.271 nan 8.280 nan 0.000 0.487 105 L N 2.676 123.959 121.223 0.099 0.000 2.410 105 L HA 0.884 5.225 4.340 0.000 0.000 0.270 105 L C -1.433 175.619 176.870 0.303 0.000 0.983 105 L CA -0.829 54.127 54.840 0.193 0.000 0.822 105 L CB 1.758 43.884 42.059 0.112 0.000 1.285 105 L HN 0.468 nan 8.230 nan 0.000 0.409 106 V N 1.143 121.295 119.914 0.396 0.000 2.789 106 V HA 0.965 5.085 4.120 0.000 0.000 0.311 106 V C -0.218 176.173 176.094 0.496 0.000 1.073 106 V CA 0.106 62.651 62.300 0.410 0.000 0.921 106 V CB 1.419 33.497 31.823 0.425 0.000 1.009 106 V HN 0.956 nan 8.190 nan 0.000 0.426 107 T N -0.115 114.614 114.554 0.292 0.000 2.926 107 T HA 0.832 5.182 4.350 0.000 0.000 0.289 107 T C -0.649 173.867 174.700 -0.307 0.000 1.054 107 T CA -0.672 61.426 62.100 -0.004 0.000 1.015 107 T CB 1.731 70.360 68.868 -0.398 0.000 1.167 107 T HN 1.700 nan 8.240 nan 0.000 0.526 108 C N 0.763 119.659 119.300 -0.674 0.000 3.254 108 C HA 0.377 4.837 4.460 0.000 0.000 0.405 108 C C 1.046 175.745 174.990 -0.485 0.000 1.027 108 C CA -0.415 58.123 59.018 -0.801 0.000 1.192 108 C CB 0.776 27.496 27.740 -1.700 0.000 1.567 108 C HN 1.105 nan 8.230 nan 0.000 0.582 109 E N 1.248 121.264 120.200 -0.307 0.000 2.204 109 E HA -0.031 4.319 4.350 0.000 0.000 0.194 109 E C 0.823 177.429 176.600 0.009 0.000 0.989 109 E CA 1.391 57.706 56.400 -0.142 0.000 0.824 109 E CB 0.184 29.809 29.700 -0.125 0.000 0.756 109 E HN 0.856 nan 8.360 nan 0.000 0.477 110 T N -1.955 112.534 114.554 -0.108 0.000 2.912 110 T HA 0.308 4.658 4.350 0.000 0.000 0.288 110 T C 0.779 175.301 174.700 -0.298 0.000 1.030 110 T CA -0.803 61.257 62.100 -0.067 0.000 1.020 110 T CB 1.904 70.711 68.868 -0.101 0.000 1.056 110 T HN -0.169 nan 8.240 nan 0.000 0.480 111 I N 1.572 121.887 120.570 -0.425 0.000 2.394 111 I HA -0.029 4.141 4.170 0.000 0.000 0.251 111 I C 1.281 177.324 176.117 -0.123 0.000 1.136 111 I CA 1.181 62.129 61.300 -0.588 0.000 1.425 111 I CB -0.334 37.108 38.000 -0.931 0.000 1.079 111 I HN 0.851 nan 8.210 nan 0.000 0.425 112 N N -0.765 117.864 118.700 -0.119 0.000 2.275 112 N HA 0.243 4.983 4.740 0.000 0.000 0.236 112 N C 0.500 176.003 175.510 -0.012 0.000 1.154 112 N CA 0.165 53.204 53.050 -0.018 0.000 0.866 112 N CB -0.502 37.944 38.487 -0.069 0.000 1.093 112 N HN 0.170 nan 8.380 nan 0.000 0.515 113 G N -0.547 108.194 108.800 -0.099 0.000 2.510 113 G HA2 0.197 4.157 3.960 0.000 0.000 0.280 113 G HA3 0.197 4.157 3.960 0.000 0.000 0.280 113 G C -0.743 174.127 174.900 -0.050 0.000 1.386 113 G CA -0.527 44.507 45.100 -0.111 0.000 1.047 113 G HN 0.124 nan 8.290 nan 0.000 0.527 114 D N 0.424 120.790 120.400 -0.057 0.000 2.365 114 D HA 0.177 4.817 4.640 0.000 0.000 0.237 114 D C -0.362 175.941 176.300 0.006 0.000 1.190 114 D CA 0.027 54.046 54.000 0.032 0.000 0.867 114 D CB 0.632 41.444 40.800 0.019 0.000 1.050 114 D HN 0.169 nan 8.370 nan 0.000 0.491 115 W N 1.746 123.017 121.300 -0.047 0.000 2.137 115 W HA 0.057 4.717 4.660 0.000 0.000 0.344 115 W C 1.542 178.047 176.519 -0.023 0.000 1.286 115 W CA -0.499 56.822 57.345 -0.040 0.000 1.240 115 W CB 0.269 29.698 29.460 -0.052 0.000 1.141 115 W HN 0.186 nan 8.180 nan 0.000 0.579 116 S N 1.111 116.929 115.700 0.196 0.000 2.617 116 S HA 0.186 4.656 4.470 0.000 0.000 0.259 116 S C 0.055 174.743 174.600 0.147 0.000 1.301 116 S CA -0.858 57.415 58.200 0.121 0.000 0.984 116 S CB 0.626 63.870 63.200 0.073 0.000 0.954 116 S HN 0.426 nan 8.310 nan 0.000 0.572 117 E N 2.266 122.528 120.200 0.104 0.000 2.383 117 E HA 0.299 4.649 4.350 0.000 0.000 0.264 117 E C -2.070 174.609 176.600 0.132 0.000 1.050 117 E CA -2.020 54.439 56.400 0.098 0.000 0.896 117 E CB 0.020 29.761 29.700 0.068 0.000 0.982 117 E HN 0.527 nan 8.360 nan 0.000 0.424 118 P HA 0.098 nan 4.420 nan 0.000 0.268 118 P C -0.232 177.179 177.300 0.185 0.000 1.205 118 P CA 0.320 63.526 63.100 0.176 0.000 0.771 118 P CB 0.591 32.316 31.700 0.043 0.000 0.858 119 I N 2.974 123.679 120.570 0.225 0.000 2.355 119 I HA 0.222 4.392 4.170 0.000 0.000 0.288 119 I C 0.851 177.097 176.117 0.215 0.000 0.999 119 I CA -0.920 60.505 61.300 0.209 0.000 1.163 119 I CB 1.234 39.370 38.000 0.226 0.000 1.316 119 I HN 0.126 nan 8.210 nan 0.000 0.454 120 K N 6.335 126.849 120.400 0.191 0.000 2.416 120 K HA 0.210 4.530 4.320 0.000 0.000 0.283 120 K C 0.209 176.827 176.600 0.031 0.000 1.037 120 K CA 0.077 56.414 56.287 0.084 0.000 0.995 120 K CB 1.133 33.673 32.500 0.066 0.000 0.938 120 K HN 0.565 nan 8.250 nan 0.000 0.475 121 L N 1.777 122.956 121.223 -0.074 0.000 2.639 121 L HA 0.122 4.462 4.340 0.000 0.000 0.183 121 L C 0.581 177.431 176.870 -0.033 0.000 1.308 121 L CA 0.035 54.861 54.840 -0.023 0.000 0.875 121 L CB -0.152 41.865 42.059 -0.071 0.000 1.189 121 L HN 0.752 nan 8.230 nan 0.000 0.523 122 N N -2.644 116.005 118.700 -0.084 0.000 3.243 122 N HA 0.227 4.968 4.740 0.000 0.000 0.280 122 N C -0.681 174.787 175.510 -0.070 0.000 1.545 122 N CA -0.499 52.522 53.050 -0.048 0.000 0.854 122 N CB 1.562 40.040 38.487 -0.015 0.000 1.612 122 N HN -0.095 nan 8.380 nan 0.000 0.577 123 S N -1.331 114.353 115.700 -0.027 0.000 2.817 123 S HA 0.076 4.546 4.470 0.000 0.000 0.262 123 S C 0.812 175.388 174.600 -0.039 0.000 1.051 123 S CA 0.106 58.279 58.200 -0.046 0.000 1.185 123 S CB -0.281 62.943 63.200 0.039 0.000 1.152 123 S HN 0.671 nan 8.310 nan 0.000 0.653 124 S N 1.468 117.162 115.700 -0.010 0.000 2.493 124 S HA 0.296 4.766 4.470 0.000 0.000 0.243 124 S C 1.057 175.656 174.600 -0.001 0.000 0.991 124 S CA 0.735 58.946 58.200 0.017 0.000 0.957 124 S CB -0.091 63.119 63.200 0.017 0.000 0.756 124 S HN 0.742 nan 8.310 nan 0.000 0.521 125 G N 0.114 108.875 108.800 -0.066 0.000 2.328 125 G HA2 0.439 4.399 3.960 0.000 0.000 0.295 125 G HA3 0.439 4.399 3.960 0.000 0.000 0.295 125 G C -0.683 174.118 174.900 -0.163 0.000 1.413 125 G CA -0.743 44.261 45.100 -0.160 0.000 0.817 125 G HN 0.313 nan 8.290 nan 0.000 0.546 126 F N -1.170 118.725 119.950 -0.093 0.000 2.294 126 F HA 0.733 5.261 4.527 0.000 0.000 0.319 126 F C 0.651 176.486 175.800 0.060 0.000 1.107 126 F CA -0.191 57.770 58.000 -0.065 0.000 1.094 126 F CB 0.273 39.208 39.000 -0.108 0.000 1.508 126 F HN 0.413 nan 8.300 nan 0.000 0.506 127 D N -0.542 120.109 120.400 0.418 0.000 2.723 127 D HA -0.141 4.499 4.640 0.000 0.000 0.236 127 D C -0.170 176.209 176.300 0.132 0.000 1.138 127 D CA 0.798 54.982 54.000 0.305 0.000 0.676 127 D CB -1.469 39.514 40.800 0.305 0.000 1.069 127 D HN 0.934 nan 8.370 nan 0.000 0.430 128 A N -0.071 122.819 122.820 0.116 0.000 2.462 128 A HA 0.547 4.867 4.320 0.000 0.000 0.243 128 A C 0.672 178.326 177.584 0.117 0.000 1.076 128 A CA 0.456 52.533 52.037 0.067 0.000 0.773 128 A CB 1.033 20.048 19.000 0.025 0.000 1.010 128 A HN 0.243 nan 8.150 nan 0.000 0.493 129 S N 0.691 116.452 115.700 0.102 0.000 2.546 129 S HA 0.528 4.998 4.470 0.000 0.000 0.272 129 S C -1.460 173.203 174.600 0.105 0.000 1.140 129 S CA -0.537 57.765 58.200 0.170 0.000 0.920 129 S CB 0.983 64.345 63.200 0.269 0.000 1.083 129 S HN 1.018 nan 8.310 nan 0.000 0.476 130 L N 5.119 126.387 121.223 0.075 0.000 2.272 130 L HA 0.706 5.046 4.340 0.000 0.000 0.289 130 L C -1.130 175.679 176.870 -0.103 0.000 1.032 130 L CA -0.384 54.410 54.840 -0.076 0.000 0.810 130 L CB 0.814 42.756 42.059 -0.195 0.000 1.205 130 L HN 0.662 nan 8.230 nan 0.000 0.422 131 F N 4.474 124.283 119.950 -0.236 0.000 2.427 131 F HA 0.464 4.991 4.527 0.000 0.000 0.346 131 F C -0.689 174.967 175.800 -0.241 0.000 1.120 131 F CA -0.524 57.383 58.000 -0.154 0.000 1.033 131 F CB 0.690 39.703 39.000 0.022 0.000 1.126 131 F HN 0.586 nan 8.300 nan 0.000 0.462 132 H N 4.127 122.859 119.070 -0.563 0.000 2.685 132 H HA 0.236 4.793 4.556 0.000 0.000 0.286 132 H C -0.531 174.297 175.328 -0.834 0.000 1.102 132 H CA -0.652 55.041 56.048 -0.592 0.000 1.254 132 H CB 0.476 30.017 29.762 -0.369 0.000 1.397 132 H HN 0.513 nan 8.280 nan 0.000 0.473 133 D N 0.920 120.888 120.400 -0.721 0.000 2.344 133 D HA -0.038 4.602 4.640 0.000 0.000 0.244 133 D C 1.303 177.586 176.300 -0.029 0.000 1.134 133 D CA -0.106 53.692 54.000 -0.336 0.000 0.930 133 D CB 1.152 42.036 40.800 0.140 0.000 1.175 133 D HN 0.635 nan 8.370 nan 0.000 0.437 134 T N -1.209 113.405 114.554 0.099 0.000 2.977 134 T HA -0.190 4.160 4.350 0.000 0.000 0.271 134 T C 0.887 175.611 174.700 0.041 0.000 1.105 134 T CA 1.053 63.172 62.100 0.033 0.000 1.116 134 T CB -0.126 68.704 68.868 -0.063 0.000 0.878 134 T HN 0.473 nan 8.240 nan 0.000 0.509 135 D N 0.489 120.945 120.400 0.093 0.000 2.328 135 D HA 0.252 4.892 4.640 0.000 0.000 0.221 135 D C 1.626 177.950 176.300 0.040 0.000 1.072 135 D CA 0.441 54.488 54.000 0.078 0.000 0.850 135 D CB -0.585 40.292 40.800 0.128 0.000 0.922 135 D HN 0.557 nan 8.370 nan 0.000 0.516 136 G N 0.151 108.958 108.800 0.013 0.000 2.195 136 G HA2 -0.283 3.677 3.960 0.000 0.000 0.246 136 G HA3 -0.283 3.677 3.960 0.000 0.000 0.246 136 G C 0.221 175.094 174.900 -0.046 0.000 0.984 136 G CA 0.039 45.129 45.100 -0.017 0.000 0.633 136 G HN 0.443 nan 8.290 nan 0.000 0.525 137 K N 0.735 121.110 120.400 -0.042 0.000 2.185 137 K HA 0.554 4.874 4.320 0.000 0.000 0.271 137 K C 0.134 176.578 176.600 -0.260 0.000 1.013 137 K CA -0.068 56.125 56.287 -0.156 0.000 0.943 137 K CB 0.812 33.236 32.500 -0.127 0.000 0.998 137 K HN 0.204 nan 8.250 nan 0.000 0.468 138 K N 2.128 122.280 120.400 -0.414 0.000 2.316 138 K HA 0.398 4.718 4.320 0.000 0.000 0.251 138 K C -1.278 175.045 176.600 -0.462 0.000 0.934 138 K CA -0.777 55.296 56.287 -0.356 0.000 0.802 138 K CB 1.462 33.831 32.500 -0.218 0.000 1.171 138 K HN 0.390 nan 8.250 nan 0.000 0.426 139 Y N 0.888 121.190 120.300 0.003 0.000 2.492 139 Y HA 0.398 4.949 4.550 0.000 0.000 0.346 139 Y C -0.819 175.120 175.900 0.065 0.000 0.997 139 Y CA -1.172 56.988 58.100 0.100 0.000 1.025 139 Y CB 1.671 40.248 38.460 0.195 0.000 1.263 139 Y HN 0.355 nan 8.280 nan 0.000 0.454 140 L N 4.056 125.402 121.223 0.205 0.000 2.282 140 L HA 0.658 4.998 4.340 0.000 0.000 0.288 140 L C -1.433 175.495 176.870 0.096 0.000 1.033 140 L CA -0.295 54.605 54.840 0.100 0.000 0.807 140 L CB 0.668 42.758 42.059 0.052 0.000 1.209 140 L HN 0.587 nan 8.230 nan 0.000 0.423 141 L N 5.848 127.107 121.223 0.061 0.000 2.330 141 L HA 0.707 5.048 4.340 0.000 0.000 0.271 141 L C -0.590 176.278 176.870 -0.003 0.000 1.013 141 L CA -0.623 54.227 54.840 0.016 0.000 0.816 141 L CB 1.841 43.889 42.059 -0.017 0.000 1.287 141 L HN 0.849 nan 8.230 nan 0.000 0.435 142 N N 1.355 120.038 118.700 -0.029 0.000 3.265 142 N HA 0.269 5.009 4.740 0.000 0.000 0.235 142 N C -1.371 174.090 175.510 -0.083 0.000 1.343 142 N CA -0.889 52.130 53.050 -0.051 0.000 0.904 142 N CB 1.504 39.963 38.487 -0.046 0.000 1.492 142 N HN 0.440 nan 8.380 nan 0.000 0.504 143 M N -0.173 119.338 119.600 -0.150 0.000 2.255 143 M HA 0.510 4.990 4.480 0.000 0.000 0.336 143 M C -0.728 175.455 176.300 -0.195 0.000 1.135 143 M CA -0.414 54.782 55.300 -0.173 0.000 1.145 143 M CB 0.274 32.729 32.600 -0.241 0.000 1.473 143 M HN 0.511 nan 8.290 nan 0.000 0.462 144 L N 4.417 125.565 121.223 -0.124 0.000 2.257 144 L HA 0.412 4.752 4.340 0.000 0.000 0.290 144 L C -1.486 175.331 176.870 -0.087 0.000 1.044 144 L CA -0.014 54.776 54.840 -0.082 0.000 0.810 144 L CB 0.626 42.652 42.059 -0.054 0.000 1.193 144 L HN 0.838 nan 8.230 nan 0.000 0.425 145 W N 6.326 127.485 121.300 -0.234 0.000 2.358 145 W HA 0.214 4.874 4.660 0.000 0.000 0.307 145 W C -0.755 175.700 176.519 -0.106 0.000 1.203 145 W CA -0.409 56.806 57.345 -0.217 0.000 1.279 145 W CB 1.202 30.566 29.460 -0.160 0.000 1.264 145 W HN 0.548 nan 8.180 nan 0.000 0.474 146 D N 5.347 125.354 120.400 -0.654 0.000 2.392 146 D HA -0.001 4.639 4.640 0.000 0.000 0.228 146 D C 1.380 177.238 176.300 -0.736 0.000 1.074 146 D CA -0.097 53.586 54.000 -0.529 0.000 0.838 146 D CB 0.754 41.313 40.800 -0.402 0.000 1.067 146 D HN 0.566 nan 8.370 nan 0.000 0.511 147 H N 2.730 121.475 119.070 -0.542 0.000 2.535 147 H HA 0.145 4.701 4.556 0.000 0.000 0.273 147 H C 0.049 175.051 175.328 -0.544 0.000 0.983 147 H CA -0.088 55.565 56.048 -0.659 0.000 1.238 147 H CB 0.237 29.287 29.762 -1.186 0.000 1.412 147 H HN 0.155 nan 8.280 nan 0.000 0.562 148 R N 1.280 121.302 120.500 -0.797 0.000 2.522 148 R HA -0.000 4.340 4.340 0.000 0.000 0.284 148 R C 1.304 177.408 176.300 -0.326 0.000 1.032 148 R CA -0.372 55.428 56.100 -0.500 0.000 1.049 148 R CB 0.911 30.941 30.300 -0.450 0.000 0.956 148 R HN 0.127 nan 8.270 nan 0.000 0.422 149 I N 2.011 122.446 120.570 -0.224 0.000 2.145 149 I HA -0.295 3.875 4.170 0.000 0.000 0.244 149 I C 1.068 177.082 176.117 -0.171 0.000 1.075 149 I CA 1.662 62.864 61.300 -0.164 0.000 1.332 149 I CB -0.652 37.288 38.000 -0.101 0.000 1.033 149 I HN 0.595 nan 8.210 nan 0.000 0.410 150 D N 1.677 121.974 120.400 -0.172 0.000 2.323 150 D HA 0.078 4.718 4.640 0.000 0.000 0.239 150 D C 0.604 176.759 176.300 -0.242 0.000 1.129 150 D CA 0.319 54.213 54.000 -0.176 0.000 0.865 150 D CB 0.248 40.967 40.800 -0.134 0.000 0.913 150 D HN 0.456 nan 8.370 nan 0.000 0.517 151 R N -0.725 119.601 120.500 -0.291 0.000 2.799 151 R HA 0.385 4.725 4.340 0.000 0.000 0.270 151 R C -0.677 175.396 176.300 -0.378 0.000 1.010 151 R CA -0.877 55.005 56.100 -0.362 0.000 0.916 151 R CB 1.070 31.212 30.300 -0.262 0.000 1.228 151 R HN 0.049 nan 8.270 nan 0.000 0.469 152 H N -0.193 118.783 119.070 -0.157 0.000 2.732 152 H HA 0.075 4.631 4.556 0.000 0.000 0.351 152 H C 0.710 175.875 175.328 -0.272 0.000 1.090 152 H CA 0.086 56.048 56.048 -0.144 0.000 1.431 152 H CB 0.824 30.546 29.762 -0.066 0.000 1.447 152 H HN 0.535 nan 8.280 nan 0.000 0.582 153 S N 1.453 117.011 115.700 -0.237 0.000 2.399 153 S HA -0.116 4.354 4.470 0.000 0.000 0.231 153 S C 0.351 174.510 174.600 -0.735 0.000 1.022 153 S CA 0.938 58.627 58.200 -0.852 0.000 0.983 153 S CB -0.090 62.271 63.200 -1.398 0.000 0.803 153 S HN 0.404 nan 8.310 nan 0.000 0.480 154 F N 1.761 121.551 119.950 -0.267 0.000 2.462 154 F HA 0.386 4.913 4.527 0.000 0.000 0.354 154 F C 1.421 177.138 175.800 -0.139 0.000 1.192 154 F CA -0.822 57.100 58.000 -0.131 0.000 1.173 154 F CB 0.407 39.383 39.000 -0.039 0.000 1.402 154 F HN 0.091 nan 8.300 nan 0.000 0.595 155 G N 1.908 110.667 108.800 -0.069 0.000 3.210 155 G HA2 0.423 4.383 3.960 0.000 0.000 0.220 155 G HA3 0.423 4.383 3.960 0.000 0.000 0.220 155 G C 0.692 175.560 174.900 -0.053 0.000 1.200 155 G CA 0.343 45.403 45.100 -0.066 0.000 0.834 155 G HN 1.026 nan 8.290 nan 0.000 0.524 156 G N -0.341 108.439 108.800 -0.034 0.000 2.498 156 G HA2 -0.062 3.898 3.960 0.000 0.000 0.651 156 G HA3 -0.062 3.898 3.960 0.000 0.000 0.651 156 G C -0.826 174.060 174.900 -0.023 0.000 1.284 156 G CA -0.845 44.223 45.100 -0.053 0.000 0.950 156 G HN 0.281 nan 8.290 nan 0.000 0.511 157 I N 1.380 121.949 120.570 -0.001 0.000 2.321 157 I HA 0.509 4.679 4.170 0.000 0.000 0.291 157 I C 1.084 177.197 176.117 -0.007 0.000 0.998 157 I CA -0.760 60.543 61.300 0.006 0.000 1.227 157 I CB 0.515 38.542 38.000 0.045 0.000 1.368 157 I HN 0.916 nan 8.210 nan 0.000 0.466 158 V N 5.829 125.731 119.914 -0.019 0.000 2.732 158 V HA 0.717 4.837 4.120 0.000 0.000 0.310 158 V C -0.364 175.728 176.094 -0.002 0.000 1.053 158 V CA -0.750 61.546 62.300 -0.008 0.000 0.957 158 V CB 2.692 34.513 31.823 -0.004 0.000 1.018 158 V HN 0.654 nan 8.190 nan 0.000 0.452 159 I N 1.828 122.408 120.570 0.016 0.000 2.769 159 I HA 0.664 4.834 4.170 0.000 0.000 0.298 159 I C -1.025 175.149 176.117 0.094 0.000 1.128 159 I CA -0.475 60.852 61.300 0.046 0.000 1.031 159 I CB 2.153 40.155 38.000 0.002 0.000 1.235 159 I HN 1.013 nan 8.210 nan 0.000 0.423 160 Q N 5.275 125.169 119.800 0.157 0.000 2.295 160 Q HA 0.244 4.585 4.340 0.000 0.000 0.268 160 Q C -1.499 174.635 176.000 0.222 0.000 1.010 160 Q CA -0.676 55.226 55.803 0.166 0.000 0.856 160 Q CB 2.099 30.900 28.738 0.105 0.000 1.349 160 Q HN 0.696 nan 8.270 nan 0.000 0.412 161 E N 2.482 122.796 120.200 0.191 0.000 2.384 161 E HA -0.002 4.348 4.350 0.000 0.000 0.266 161 E C -1.574 175.028 176.600 0.003 0.000 1.012 161 E CA -0.019 56.370 56.400 -0.019 0.000 0.901 161 E CB 0.580 30.204 29.700 -0.127 0.000 0.967 161 E HN 0.481 nan 8.360 nan 0.000 0.435 162 Y N 3.335 123.531 120.300 -0.173 0.000 2.331 162 Y HA 0.237 4.787 4.550 0.000 0.000 0.338 162 Y C -0.536 175.301 175.900 -0.104 0.000 0.992 162 Y CA -0.706 57.337 58.100 -0.095 0.000 1.121 162 Y CB 1.588 40.007 38.460 -0.068 0.000 1.184 162 Y HN 0.368 nan 8.280 nan 0.000 0.469 163 S N 4.761 120.042 115.700 -0.698 0.000 2.411 163 S HA 0.076 4.546 4.470 0.000 0.000 0.294 163 S C 0.789 174.923 174.600 -0.776 0.000 1.115 163 S CA -0.478 57.395 58.200 -0.544 0.000 1.071 163 S CB 0.138 63.149 63.200 -0.315 0.000 0.967 163 S HN 0.958 nan 8.310 nan 0.000 0.488 164 D N 4.775 124.933 120.400 -0.403 0.000 2.144 164 D HA -0.091 4.549 4.640 0.000 0.000 0.199 164 D C 1.622 177.901 176.300 -0.035 0.000 0.984 164 D CA 1.448 55.410 54.000 -0.064 0.000 0.834 164 D CB 0.243 41.163 40.800 0.200 0.000 0.955 164 D HN 0.397 nan 8.370 nan 0.000 0.465 165 K N 0.396 120.751 120.400 -0.074 0.000 2.025 165 K HA -0.063 4.257 4.320 0.000 0.000 0.207 165 K C 2.099 178.666 176.600 -0.054 0.000 1.049 165 K CA 1.053 57.316 56.287 -0.041 0.000 0.933 165 K CB -0.420 32.055 32.500 -0.042 0.000 0.714 165 K HN 0.374 nan 8.250 nan 0.000 0.438 166 E N 0.981 121.119 120.200 -0.103 0.000 2.481 166 E HA -0.022 4.328 4.350 0.000 0.000 0.195 166 E C -0.405 176.151 176.600 -0.074 0.000 1.047 166 E CA -0.120 56.232 56.400 -0.081 0.000 0.867 166 E CB 0.044 29.690 29.700 -0.090 0.000 0.858 166 E HN 0.200 nan 8.360 nan 0.000 0.513 167 Q N 0.290 120.019 119.800 -0.119 0.000 2.452 167 Q HA -0.246 4.094 4.340 0.000 0.000 0.318 167 Q C -0.826 175.205 176.000 0.052 0.000 1.386 167 Q CA 1.032 56.837 55.803 0.002 0.000 0.872 167 Q CB -1.663 27.143 28.738 0.114 0.000 1.151 167 Q HN 0.349 nan 8.270 nan 0.000 0.417 168 K N -1.838 118.485 120.400 -0.127 0.000 2.642 168 K HA 0.613 4.933 4.320 0.000 0.000 0.290 168 K C -1.126 175.466 176.600 -0.014 0.000 1.006 168 K CA -1.160 55.152 56.287 0.041 0.000 0.869 168 K CB 0.925 33.437 32.500 0.020 0.000 1.499 168 K HN 0.013 nan 8.250 nan 0.000 0.403 169 L N 2.790 124.085 121.223 0.121 0.000 2.380 169 L HA 0.443 4.783 4.340 0.000 0.000 0.273 169 L C 0.320 177.205 176.870 0.025 0.000 1.138 169 L CA -0.723 54.181 54.840 0.107 0.000 0.832 169 L CB 0.348 42.482 42.059 0.126 0.000 1.124 169 L HN 0.599 nan 8.230 nan 0.000 0.454 170 I N -0.732 119.839 120.570 0.002 0.000 3.023 170 I HA 0.925 5.095 4.170 0.000 0.000 0.312 170 I C 0.738 176.864 176.117 0.014 0.000 1.056 170 I CA -0.491 60.804 61.300 -0.009 0.000 1.033 170 I CB 1.709 39.682 38.000 -0.044 0.000 1.233 170 I HN 0.715 nan 8.210 nan 0.000 0.462 171 G N 2.780 111.587 108.800 0.013 0.000 2.547 171 G HA2 -0.162 3.798 3.960 0.000 0.000 0.271 171 G HA3 -0.162 3.798 3.960 0.000 0.000 0.271 171 G C -0.549 174.369 174.900 0.031 0.000 1.209 171 G CA -0.141 44.973 45.100 0.024 0.000 0.959 171 G HN 0.829 nan 8.290 nan 0.000 0.563 172 K N 1.437 121.860 120.400 0.038 0.000 2.422 172 K HA 0.573 4.893 4.320 0.000 0.000 0.251 172 K C -2.364 174.262 176.600 0.045 0.000 0.933 172 K CA -1.518 54.791 56.287 0.036 0.000 0.798 172 K CB 2.457 34.974 32.500 0.029 0.000 1.238 172 K HN 0.529 nan 8.250 nan 0.000 0.428 173 P HA 0.264 nan 4.420 nan 0.000 0.276 173 P C -1.022 176.297 177.300 0.032 0.000 1.244 173 P CA -0.371 62.755 63.100 0.043 0.000 0.801 173 P CB 0.782 32.504 31.700 0.037 0.000 1.006 174 K N -0.541 119.876 120.400 0.029 0.000 2.562 174 K HA 0.448 4.768 4.320 0.000 0.000 0.267 174 K C -1.283 175.326 176.600 0.015 0.000 0.938 174 K CA -1.093 55.206 56.287 0.020 0.000 0.840 174 K CB 1.144 33.657 32.500 0.021 0.000 1.390 174 K HN 0.023 nan 8.250 nan 0.000 0.428 175 V N 3.850 123.771 119.914 0.011 0.000 2.508 175 V HA 0.090 4.210 4.120 0.000 0.000 0.281 175 V C 1.191 177.305 176.094 0.034 0.000 1.041 175 V CA -0.099 62.208 62.300 0.012 0.000 1.016 175 V CB 0.278 32.100 31.823 -0.002 0.000 0.984 175 V HN 0.870 nan 8.190 nan 0.000 0.478 176 I N 1.173 121.773 120.570 0.051 0.000 4.139 176 I HA 0.519 4.689 4.170 0.000 0.000 0.335 176 I C -0.034 176.209 176.117 0.210 0.000 1.327 176 I CA 0.343 61.707 61.300 0.107 0.000 1.112 176 I CB 0.624 38.667 38.000 0.072 0.000 1.058 176 I HN 0.449 nan 8.210 nan 0.000 0.396 177 F N 1.581 121.491 119.950 -0.067 0.000 2.635 177 F HA 0.398 4.925 4.527 0.000 0.000 0.314 177 F C -0.162 175.599 175.800 -0.065 0.000 1.119 177 F CA -0.834 57.119 58.000 -0.078 0.000 1.000 177 F CB 1.920 40.805 39.000 -0.192 0.000 1.278 177 F HN -0.071 nan 8.300 nan 0.000 0.446 178 E N 3.110 122.922 120.200 -0.646 0.000 2.526 178 E HA 0.432 4.782 4.350 0.000 0.000 0.208 178 E C 0.680 176.834 176.600 -0.743 0.000 0.997 178 E CA 0.213 56.295 56.400 -0.530 0.000 0.961 178 E CB 0.721 30.245 29.700 -0.293 0.000 1.030 178 E HN 1.000 nan 8.360 nan 0.000 0.483 179 G N 1.379 109.261 108.800 -1.530 0.000 2.725 179 G HA2 -0.271 3.689 3.960 0.000 0.000 0.220 179 G HA3 -0.271 3.689 3.960 0.000 0.000 0.220 179 G C 0.217 174.815 174.900 -0.504 0.000 1.357 179 G CA -0.304 44.224 45.100 -0.953 0.000 0.866 179 G HN 0.218 nan 8.290 nan 0.000 0.548 180 T N -3.720 110.689 114.554 -0.243 0.000 2.819 180 T HA 0.608 4.958 4.350 0.000 0.000 0.271 180 T C 1.346 175.946 174.700 -0.167 0.000 0.986 180 T CA 0.865 62.874 62.100 -0.151 0.000 0.989 180 T CB 1.418 70.246 68.868 -0.066 0.000 1.396 180 T HN 1.190 nan 8.240 nan 0.000 0.597 181 D N -0.599 119.719 120.400 -0.136 0.000 2.378 181 D HA -0.074 4.567 4.640 0.000 0.000 0.222 181 D C 1.697 177.897 176.300 -0.166 0.000 0.980 181 D CA 0.302 54.215 54.000 -0.144 0.000 0.907 181 D CB -0.204 40.527 40.800 -0.115 0.000 0.899 181 D HN 0.306 nan 8.370 nan 0.000 0.527 182 R N 0.596 120.998 120.500 -0.164 0.000 2.148 182 R HA 0.033 4.373 4.340 0.000 0.000 0.223 182 R C 0.803 176.986 176.300 -0.195 0.000 1.088 182 R CA 0.300 56.293 56.100 -0.179 0.000 0.985 182 R CB -0.198 30.017 30.300 -0.140 0.000 0.880 182 R HN 0.293 nan 8.270 nan 0.000 0.451 183 K N -1.178 119.095 120.400 -0.212 0.000 1.800 183 K HA -0.271 4.049 4.320 0.000 0.000 0.567 183 K C 0.155 176.563 176.600 -0.320 0.000 1.766 183 K CA 1.064 57.191 56.287 -0.267 0.000 0.996 183 K CB -0.739 31.592 32.500 -0.282 0.000 1.627 183 K HN 0.051 nan 8.250 nan 0.000 0.691 184 L N -1.107 119.816 121.223 -0.501 0.000 3.737 184 L HA -0.213 4.127 4.340 0.000 0.000 0.418 184 L C 0.066 176.581 176.870 -0.592 0.000 1.216 184 L CA 1.633 55.804 54.840 -1.116 0.000 0.915 184 L CB -2.481 39.011 42.059 -0.944 0.000 1.834 184 L HN 0.566 nan 8.230 nan 0.000 0.943 185 T N 0.648 115.080 114.554 -0.204 0.000 2.829 185 T HA 0.400 4.750 4.350 0.000 0.000 0.293 185 T C 0.587 175.405 174.700 0.197 0.000 0.970 185 T CA 0.549 62.650 62.100 0.002 0.000 1.168 185 T CB 0.621 69.465 68.868 -0.041 0.000 0.911 185 T HN 0.657 nan 8.240 nan 0.000 0.535 186 E N 1.526 121.821 120.200 0.159 0.000 2.269 186 E HA 0.586 4.936 4.350 0.000 0.000 0.243 186 E C -0.440 176.158 176.600 -0.004 0.000 1.114 186 E CA -1.183 55.325 56.400 0.180 0.000 0.896 186 E CB 0.385 30.349 29.700 0.440 0.000 1.811 186 E HN 0.506 nan 8.360 nan 0.000 0.472 187 A N 0.324 123.095 122.820 -0.082 0.000 2.640 187 A HA -0.110 4.210 4.320 0.000 0.000 0.300 187 A C -2.100 175.196 177.584 -0.480 0.000 1.499 187 A CA 0.805 52.587 52.037 -0.425 0.000 0.759 187 A CB -1.954 16.458 19.000 -0.980 0.000 1.048 187 A HN 0.444 nan 8.150 nan 0.000 0.450 188 P HA 0.341 nan 4.420 nan 0.000 0.271 188 P C -0.559 176.512 177.300 -0.381 0.000 1.220 188 P CA 0.663 63.596 63.100 -0.278 0.000 0.768 188 P CB 0.544 32.152 31.700 -0.154 0.000 0.848 189 H N 2.426 121.439 119.070 -0.096 0.000 2.782 189 H HA 0.379 4.935 4.556 0.000 0.000 0.347 189 H C -0.532 174.553 175.328 -0.405 0.000 1.038 189 H CA -0.738 55.199 56.048 -0.185 0.000 1.255 189 H CB 1.569 31.322 29.762 -0.015 0.000 1.623 189 H HN 0.275 nan 8.280 nan 0.000 0.525 190 L N 3.787 124.726 121.223 -0.472 0.000 2.322 190 L HA 0.429 4.769 4.340 0.000 0.000 0.279 190 L C -1.288 175.077 176.870 -0.841 0.000 1.036 190 L CA -0.527 53.907 54.840 -0.676 0.000 0.807 190 L CB 0.586 42.042 42.059 -1.006 0.000 1.226 190 L HN 0.460 nan 8.230 nan 0.000 0.433 191 Y N 2.328 122.638 120.300 0.017 0.000 2.386 191 Y HA 0.320 4.870 4.550 0.000 0.000 0.334 191 Y C -0.592 175.546 175.900 0.396 0.000 1.002 191 Y CA -0.629 57.671 58.100 0.334 0.000 1.068 191 Y CB 1.363 40.059 38.460 0.393 0.000 1.203 191 Y HN 0.581 nan 8.280 nan 0.000 0.443 192 H N 4.558 123.927 119.070 0.499 0.000 2.787 192 H HA 0.581 5.137 4.556 0.000 0.000 0.275 192 H C -1.110 174.358 175.328 0.232 0.000 1.183 192 H CA -0.407 55.748 56.048 0.179 0.000 1.290 192 H CB 0.211 30.030 29.762 0.094 0.000 1.438 192 H HN 0.594 nan 8.280 nan 0.000 0.487 193 I N 5.499 126.375 120.570 0.510 0.000 2.382 193 I HA 0.270 4.440 4.170 0.000 0.000 0.286 193 I C 1.094 177.349 176.117 0.230 0.000 1.002 193 I CA -0.119 61.371 61.300 0.316 0.000 1.135 193 I CB 1.535 39.623 38.000 0.147 0.000 1.288 193 I HN 0.952 nan 8.210 nan 0.000 0.448 194 G N 5.814 114.648 108.800 0.057 0.000 2.591 194 G HA2 -0.365 3.595 3.960 0.000 0.000 0.298 194 G HA3 -0.365 3.595 3.960 0.000 0.000 0.298 194 G C 0.334 175.226 174.900 -0.014 0.000 1.195 194 G CA 0.707 45.802 45.100 -0.009 0.000 0.989 194 G HN 0.734 nan 8.290 nan 0.000 0.551 195 N N 0.235 118.881 118.700 -0.089 0.000 2.276 195 N HA 0.438 5.178 4.740 0.000 0.000 0.212 195 N C -0.518 174.700 175.510 -0.487 0.000 1.127 195 N CA 0.119 53.005 53.050 -0.273 0.000 0.834 195 N CB 0.289 38.524 38.487 -0.421 0.000 1.014 195 N HN 0.413 nan 8.380 nan 0.000 0.491 196 Y N -0.996 119.240 120.300 -0.106 0.000 2.609 196 Y HA 0.378 4.928 4.550 0.000 0.000 0.342 196 Y C -1.074 174.591 175.900 -0.391 0.000 1.058 196 Y CA -1.110 56.789 58.100 -0.335 0.000 1.055 196 Y CB 0.988 39.030 38.460 -0.697 0.000 1.292 196 Y HN -0.104 nan 8.280 nan 0.000 0.476 197 Y N 1.198 121.365 120.300 -0.221 0.000 2.356 197 Y HA 0.387 4.937 4.550 0.000 0.000 0.334 197 Y C -1.217 174.634 175.900 -0.082 0.000 0.958 197 Y CA -0.969 57.046 58.100 -0.142 0.000 1.196 197 Y CB 0.539 38.876 38.460 -0.205 0.000 1.137 197 Y HN 0.419 nan 8.280 nan 0.000 0.485 198 Y N 4.254 124.727 120.300 0.288 0.000 2.383 198 Y HA 0.305 4.855 4.550 0.000 0.000 0.344 198 Y C -0.291 175.721 175.900 0.187 0.000 0.986 198 Y CA -0.747 57.509 58.100 0.261 0.000 1.175 198 Y CB 0.770 39.398 38.460 0.281 0.000 1.152 198 Y HN 0.425 nan 8.280 nan 0.000 0.511 199 L N 6.078 127.360 121.223 0.099 0.000 2.255 199 L HA 0.437 4.777 4.340 0.000 0.000 0.289 199 L C -1.190 175.609 176.870 -0.118 0.000 1.046 199 L CA -0.629 54.077 54.840 -0.224 0.000 0.816 199 L CB 0.320 41.859 42.059 -0.868 0.000 1.197 199 L HN 0.580 nan 8.230 nan 0.000 0.427 200 L N 5.741 127.000 121.223 0.059 0.000 2.289 200 L HA 0.794 5.134 4.340 0.000 0.000 0.285 200 L C 0.014 176.876 176.870 -0.012 0.000 1.049 200 L CA 0.406 55.306 54.840 0.100 0.000 0.804 200 L CB 1.477 43.736 42.059 0.333 0.000 1.195 200 L HN 0.860 nan 8.230 nan 0.000 0.428 201 T N 1.911 116.446 114.554 -0.032 0.000 2.841 201 T HA 0.915 5.265 4.350 0.000 0.000 0.296 201 T C -0.722 173.954 174.700 -0.041 0.000 1.166 201 T CA -0.499 61.574 62.100 -0.046 0.000 1.007 201 T CB 1.416 70.315 68.868 0.051 0.000 1.253 201 T HN 0.856 nan 8.240 nan 0.000 0.511 202 A N 0.773 123.563 122.820 -0.049 0.000 2.330 202 A HA 0.819 5.139 4.320 0.000 0.000 0.327 202 A C -0.359 177.258 177.584 0.055 0.000 1.155 202 A CA -0.714 51.321 52.037 -0.004 0.000 0.803 202 A CB 0.866 19.901 19.000 0.059 0.000 1.208 202 A HN 0.869 nan 8.150 nan 0.000 0.477 203 E N -0.046 120.186 120.200 0.055 0.000 2.416 203 E HA 0.575 4.925 4.350 0.000 0.000 0.273 203 E C 0.407 177.030 176.600 0.040 0.000 0.935 203 E CA -0.514 55.888 56.400 0.002 0.000 0.784 203 E CB 1.872 31.543 29.700 -0.048 0.000 1.301 203 E HN 1.521 nan 8.360 nan 0.000 0.454 204 G N 0.415 109.172 108.800 -0.072 0.000 2.159 204 G HA2 -0.121 3.839 3.960 0.000 0.000 0.256 204 G HA3 -0.121 3.839 3.960 0.000 0.000 0.256 204 G C 0.564 175.451 174.900 -0.022 0.000 0.977 204 G CA 0.313 45.372 45.100 -0.068 0.000 0.652 204 G HN 1.275 nan 8.290 nan 0.000 0.531 205 G N -2.136 106.647 108.800 -0.028 0.000 2.733 205 G HA2 0.201 4.161 3.960 0.000 0.000 0.686 205 G HA3 0.201 4.161 3.960 0.000 0.000 0.686 205 G C 0.474 175.261 174.900 -0.188 0.000 1.373 205 G CA 0.706 45.792 45.100 -0.024 0.000 0.838 205 G HN 1.568 nan 8.290 nan 0.000 0.588 206 T N 0.848 115.230 114.554 -0.286 0.000 3.227 206 T HA 0.112 4.462 4.350 0.000 0.000 0.257 206 T C 1.755 176.314 174.700 -0.235 0.000 1.162 206 T CA 1.795 63.516 62.100 -0.631 0.000 1.051 206 T CB -0.348 68.281 68.868 -0.398 0.000 0.953 206 T HN 0.554 nan 8.240 nan 0.000 0.535 207 R N -0.798 119.677 120.500 -0.042 0.000 2.221 207 R HA 0.266 4.606 4.340 0.000 0.000 0.157 207 R C 1.097 177.322 176.300 -0.126 0.000 0.876 207 R CA -0.250 55.815 56.100 -0.058 0.000 1.500 207 R CB -0.183 30.163 30.300 0.077 0.000 1.353 207 R HN 0.234 nan 8.270 nan 0.000 0.598 208 Y N 0.787 121.182 120.300 0.160 0.000 2.571 208 Y HA -0.044 4.506 4.550 0.000 0.000 0.294 208 Y C 1.477 177.590 175.900 0.355 0.000 1.141 208 Y CA 0.755 58.984 58.100 0.216 0.000 1.308 208 Y CB 0.061 38.617 38.460 0.159 0.000 1.002 208 Y HN 0.436 nan 8.280 nan 0.000 0.551 209 E N -1.389 119.028 120.200 0.361 0.000 2.489 209 E HA -0.021 4.329 4.350 0.000 0.000 0.193 209 E C 0.005 176.703 176.600 0.163 0.000 1.057 209 E CA -0.026 56.480 56.400 0.177 0.000 0.866 209 E CB -0.307 29.352 29.700 -0.068 0.000 0.916 209 E HN 0.428 nan 8.360 nan 0.000 0.500 210 H N 0.255 119.380 119.070 0.091 0.000 3.038 210 H HA 0.223 4.779 4.556 0.000 0.000 0.338 210 H C -0.331 175.031 175.328 0.057 0.000 1.041 210 H CA 0.121 56.204 56.048 0.060 0.000 1.394 210 H CB 0.451 30.252 29.762 0.065 0.000 1.357 210 H HN 0.210 nan 8.280 nan 0.000 0.600 211 A N 2.730 125.538 122.820 -0.021 0.000 2.599 211 A HA 0.655 4.975 4.320 0.000 0.000 0.290 211 A C -1.641 175.834 177.584 -0.182 0.000 1.101 211 A CA -0.110 51.863 52.037 -0.107 0.000 0.674 211 A CB 1.274 20.255 19.000 -0.031 0.000 1.277 211 A HN 0.783 nan 8.150 nan 0.000 0.419 212 A N 0.803 123.526 122.820 -0.161 0.000 2.311 212 A HA 0.780 5.100 4.320 0.000 0.000 0.306 212 A C 0.015 177.530 177.584 -0.115 0.000 1.189 212 A CA 0.210 52.167 52.037 -0.134 0.000 0.791 212 A CB 0.430 19.347 19.000 -0.138 0.000 1.172 212 A HN 1.978 nan 8.150 nan 0.000 0.481 213 T N 0.112 114.623 114.554 -0.070 0.000 2.918 213 T HA 0.781 5.131 4.350 0.000 0.000 0.286 213 T C -0.314 174.357 174.700 -0.049 0.000 1.026 213 T CA -0.642 61.419 62.100 -0.064 0.000 1.031 213 T CB 1.285 70.156 68.868 0.005 0.000 1.046 213 T HN 0.731 nan 8.240 nan 0.000 0.479 214 I N 0.843 121.384 120.570 -0.048 0.000 2.769 214 I HA 0.729 4.899 4.170 0.000 0.000 0.298 214 I C -1.084 175.096 176.117 0.106 0.000 1.128 214 I CA -0.984 60.334 61.300 0.031 0.000 1.031 214 I CB 1.869 39.930 38.000 0.102 0.000 1.235 214 I HN 1.119 nan 8.210 nan 0.000 0.423 215 A N 6.490 129.371 122.820 0.102 0.000 2.527 215 A HA 0.923 5.243 4.320 0.000 0.000 0.293 215 A C -1.303 176.450 177.584 0.281 0.000 1.117 215 A CA -0.749 51.409 52.037 0.203 0.000 0.723 215 A CB 1.902 20.812 19.000 -0.149 0.000 1.313 215 A HN 0.790 nan 8.150 nan 0.000 0.411 216 R N -0.393 120.210 120.500 0.171 0.000 2.867 216 R HA 0.897 5.237 4.340 0.000 0.000 0.268 216 R C -1.047 175.053 176.300 -0.334 0.000 1.014 216 R CA -0.441 55.494 56.100 -0.275 0.000 0.946 216 R CB 1.879 31.513 30.300 -1.110 0.000 1.208 216 R HN 0.846 nan 8.270 nan 0.000 0.477 217 S N -0.577 114.874 115.700 -0.415 0.000 2.542 217 S HA 0.464 4.934 4.470 0.000 0.000 0.276 217 S C 0.086 174.624 174.600 -0.103 0.000 1.148 217 S CA -0.033 57.907 58.200 -0.432 0.000 0.886 217 S CB 1.835 64.322 63.200 -1.189 0.000 1.109 217 S HN 0.826 nan 8.310 nan 0.000 0.458 218 A N 3.109 125.898 122.820 -0.051 0.000 1.933 218 A HA 0.065 4.385 4.320 0.000 0.000 0.218 218 A C 0.845 178.438 177.584 0.015 0.000 1.175 218 A CA 1.292 53.282 52.037 -0.078 0.000 0.628 218 A CB -0.629 18.296 19.000 -0.124 0.000 0.814 218 A HN 0.907 nan 8.150 nan 0.000 0.444 219 N N -1.175 117.456 118.700 -0.116 0.000 2.430 219 N HA 0.279 5.019 4.740 0.000 0.000 0.298 219 N C 0.543 175.730 175.510 -0.537 0.000 1.130 219 N CA -0.529 52.398 53.050 -0.204 0.000 0.894 219 N CB 1.873 40.263 38.487 -0.163 0.000 1.209 219 N HN 0.131 nan 8.380 nan 0.000 0.503 220 I N 0.390 120.456 120.570 -0.840 0.000 2.394 220 I HA -0.228 3.942 4.170 0.000 0.000 0.251 220 I C 1.136 177.010 176.117 -0.404 0.000 1.136 220 I CA 1.390 62.102 61.300 -0.981 0.000 1.425 220 I CB 0.170 37.521 38.000 -1.082 0.000 1.079 220 I HN 0.551 nan 8.210 nan 0.000 0.425 221 E N 1.045 121.078 120.200 -0.279 0.000 2.274 221 E HA 0.151 4.502 4.350 0.000 0.000 0.194 221 E C 1.024 177.604 176.600 -0.034 0.000 0.996 221 E CA 0.705 57.037 56.400 -0.113 0.000 0.840 221 E CB -0.214 29.433 29.700 -0.088 0.000 0.772 221 E HN 0.644 nan 8.360 nan 0.000 0.491 222 G N 0.904 109.587 108.800 -0.195 0.000 2.568 222 G HA2 -0.197 3.764 3.960 0.000 0.000 0.222 222 G HA3 -0.197 3.764 3.960 0.000 0.000 0.222 222 G C -2.315 172.515 174.900 -0.117 0.000 1.321 222 G CA -0.504 44.455 45.100 -0.235 0.000 0.893 222 G HN 0.111 nan 8.290 nan 0.000 0.569 223 P HA 0.376 nan 4.420 nan 0.000 0.269 223 P C -1.061 176.238 177.300 -0.002 0.000 1.215 223 P CA 0.175 63.313 63.100 0.065 0.000 0.780 223 P CB 0.329 32.073 31.700 0.073 0.000 0.898 224 Y N -0.103 120.229 120.300 0.053 0.000 2.323 224 Y HA 0.249 4.799 4.550 0.000 0.000 0.331 224 Y C 1.261 177.209 175.900 0.081 0.000 1.092 224 Y CA -0.261 57.843 58.100 0.006 0.000 1.150 224 Y CB 1.041 39.415 38.460 -0.142 0.000 1.200 224 Y HN 0.401 nan 8.280 nan 0.000 0.472 225 E N 3.367 123.680 120.200 0.188 0.000 2.174 225 E HA 0.465 4.815 4.350 0.000 0.000 0.282 225 E C -0.848 175.923 176.600 0.285 0.000 0.992 225 E CA -0.879 55.647 56.400 0.209 0.000 0.803 225 E CB 0.955 30.760 29.700 0.176 0.000 1.090 225 E HN 0.556 nan 8.360 nan 0.000 0.396 226 V N 2.615 122.640 119.914 0.186 0.000 2.924 226 V HA 0.132 4.252 4.120 0.000 0.000 0.305 226 V C 0.633 176.582 176.094 -0.242 0.000 1.073 226 V CA -0.710 61.634 62.300 0.074 0.000 1.098 226 V CB 0.987 32.861 31.823 0.085 0.000 1.000 226 V HN 0.792 nan 8.190 nan 0.000 0.484 227 H N 6.077 124.747 119.070 -0.667 0.000 3.064 227 H HA 0.110 4.666 4.556 0.000 0.000 0.329 227 H C -1.600 173.225 175.328 -0.839 0.000 1.020 227 H CA -0.753 54.469 56.048 -1.377 0.000 1.402 227 H CB 1.610 30.787 29.762 -0.976 0.000 1.379 227 H HN 0.601 nan 8.280 nan 0.000 0.594 228 P HA -0.120 nan 4.420 nan 0.000 0.220 228 P C 0.381 177.625 177.300 -0.093 0.000 1.148 228 P CA 1.128 64.011 63.100 -0.362 0.000 0.803 228 P CB 0.526 31.998 31.700 -0.380 0.000 0.782 229 D N -0.348 120.145 120.400 0.155 0.000 2.980 229 D HA 0.123 4.763 4.640 0.000 0.000 0.333 229 D C -0.345 175.848 176.300 -0.179 0.000 1.356 229 D CA -0.682 53.347 54.000 0.049 0.000 0.847 229 D CB -1.118 39.792 40.800 0.184 0.000 1.122 229 D HN -0.075 nan 8.370 nan 0.000 0.475 230 N N 0.751 119.348 118.700 -0.171 0.000 2.525 230 N HA 0.296 5.036 4.740 0.000 0.000 0.271 230 N C -2.456 172.958 175.510 -0.159 0.000 1.194 230 N CA -1.017 51.889 53.050 -0.240 0.000 0.964 230 N CB 0.908 39.300 38.487 -0.158 0.000 1.126 230 N HN -0.027 nan 8.380 nan 0.000 0.452 231 P HA 0.178 nan 4.420 nan 0.000 0.278 231 P C 0.500 177.630 177.300 -0.283 0.000 1.238 231 P CA -0.319 62.667 63.100 -0.189 0.000 0.794 231 P CB 0.585 32.220 31.700 -0.108 0.000 0.955 232 I N -0.684 119.655 120.570 -0.384 0.000 2.830 232 I HA 0.143 4.313 4.170 0.000 0.000 0.263 232 I C 0.178 176.133 176.117 -0.270 0.000 1.230 232 I CA 1.028 62.051 61.300 -0.462 0.000 1.480 232 I CB -0.140 37.532 38.000 -0.547 0.000 1.095 232 I HN 0.074 nan 8.210 nan 0.000 0.455 233 L N 0.486 121.586 121.223 -0.204 0.000 2.505 233 L HA 0.694 5.035 4.340 0.000 0.000 0.266 233 L C -0.896 175.906 176.870 -0.113 0.000 0.954 233 L CA 0.099 54.834 54.840 -0.175 0.000 0.852 233 L CB 2.223 44.129 42.059 -0.255 0.000 1.282 233 L HN 0.166 nan 8.230 nan 0.000 0.403 234 T N 1.724 116.255 114.554 -0.038 0.000 3.247 234 T HA 0.272 4.622 4.350 0.000 0.000 0.395 234 T C -0.877 173.870 174.700 0.080 0.000 1.772 234 T CA 0.115 62.247 62.100 0.052 0.000 1.117 234 T CB 1.111 70.059 68.868 0.133 0.000 1.626 234 T HN 0.548 nan 8.240 nan 0.000 0.481 235 S N 2.248 117.968 115.700 0.033 0.000 2.846 235 S HA 0.182 4.652 4.470 0.000 0.000 0.249 235 S C 0.957 175.475 174.600 -0.137 0.000 1.028 235 S CA -0.002 58.105 58.200 -0.154 0.000 1.043 235 S CB -0.240 62.915 63.200 -0.074 0.000 0.990 235 S HN 0.689 nan 8.310 nan 0.000 0.564 236 W N 3.258 124.513 121.300 -0.075 0.000 2.318 236 W HA -0.220 4.440 4.660 0.000 0.000 0.313 236 W C 2.014 178.519 176.519 -0.023 0.000 1.221 236 W CA 2.412 59.771 57.345 0.023 0.000 1.266 236 W CB -0.522 29.004 29.460 0.110 0.000 1.150 236 W HN 0.652 nan 8.180 nan 0.000 0.496 237 H N -1.738 117.284 119.070 -0.079 0.000 2.559 237 H HA 0.018 4.574 4.556 0.000 0.000 0.273 237 H C -0.335 174.852 175.328 -0.235 0.000 1.000 237 H CA 1.176 57.033 56.048 -0.317 0.000 1.195 237 H CB -0.483 29.296 29.762 0.029 0.000 1.368 237 H HN 0.078 nan 8.280 nan 0.000 0.592 238 D N 1.050 121.113 120.400 -0.561 0.000 2.404 238 D HA 0.222 4.862 4.640 0.000 0.000 0.267 238 D C -2.093 174.005 176.300 -0.337 0.000 1.194 238 D CA -2.378 51.400 54.000 -0.370 0.000 0.910 238 D CB 1.562 42.161 40.800 -0.336 0.000 1.090 238 D HN -0.008 nan 8.370 nan 0.000 0.511 239 P HA 0.058 nan 4.420 nan 0.000 0.226 239 P C 1.261 178.383 177.300 -0.297 0.000 1.153 239 P CA 0.570 63.395 63.100 -0.459 0.000 0.777 239 P CB 0.452 31.638 31.700 -0.857 0.000 0.794 240 G N -1.376 107.278 108.800 -0.244 0.000 2.712 240 G HA2 -0.095 3.865 3.960 0.000 0.000 0.212 240 G HA3 -0.095 3.865 3.960 0.000 0.000 0.212 240 G C 0.661 175.524 174.900 -0.062 0.000 1.142 240 G CA -0.058 44.961 45.100 -0.136 0.000 0.789 240 G HN 0.256 nan 8.290 nan 0.000 0.535 241 N N 0.841 119.500 118.700 -0.068 0.000 2.458 241 N HA 0.195 4.935 4.740 0.000 0.000 0.258 241 N C -1.269 174.255 175.510 0.023 0.000 1.219 241 N CA -1.316 51.721 53.050 -0.022 0.000 0.902 241 N CB 1.559 40.022 38.487 -0.040 0.000 1.076 241 N HN -0.162 nan 8.380 nan 0.000 0.455 242 P HA -0.099 nan 4.420 nan 0.000 0.216 242 P C -0.476 176.872 177.300 0.080 0.000 1.150 242 P CA 1.181 64.319 63.100 0.064 0.000 0.837 242 P CB 0.270 32.005 31.700 0.059 0.000 0.786 243 L N -0.262 121.010 121.223 0.081 0.000 2.272 243 L HA 0.279 4.619 4.340 0.000 0.000 0.289 243 L C 0.530 177.467 176.870 0.111 0.000 1.032 243 L CA -0.623 54.282 54.840 0.108 0.000 0.810 243 L CB 1.060 43.203 42.059 0.140 0.000 1.205 243 L HN -0.042 nan 8.230 nan 0.000 0.422 244 Q N 2.051 121.932 119.800 0.135 0.000 2.418 244 Q HA 0.366 4.706 4.340 0.000 0.000 0.276 244 Q C -0.282 175.794 176.000 0.126 0.000 1.081 244 Q CA -0.889 55.010 55.803 0.159 0.000 0.864 244 Q CB 1.824 30.730 28.738 0.281 0.000 1.384 244 Q HN 0.380 nan 8.270 nan 0.000 0.467 245 K N -0.647 119.819 120.400 0.109 0.000 3.035 245 K HA -0.170 4.151 4.320 0.000 0.000 0.262 245 K C -0.750 176.002 176.600 0.252 0.000 1.024 245 K CA 0.251 56.620 56.287 0.138 0.000 0.748 245 K CB -2.171 30.324 32.500 -0.009 0.000 1.247 245 K HN 0.551 nan 8.250 nan 0.000 0.482 246 C N 1.281 120.663 119.300 0.137 0.000 2.595 246 C HA 0.464 4.924 4.460 0.000 0.000 0.374 246 C C 1.391 176.255 174.990 -0.210 0.000 1.250 246 C CA 0.145 59.181 59.018 0.030 0.000 1.595 246 C CB -0.829 26.847 27.740 -0.106 0.000 2.257 246 C HN 0.675 nan 8.230 nan 0.000 0.568 247 G N 0.451 109.065 108.800 -0.310 0.000 2.561 247 G HA2 0.493 4.453 3.960 0.000 0.000 0.310 247 G HA3 0.493 4.453 3.960 0.000 0.000 0.310 247 G C -0.565 174.220 174.900 -0.192 0.000 1.292 247 G CA -0.603 44.080 45.100 -0.695 0.000 0.811 247 G HN 0.710 nan 8.290 nan 0.000 0.482 248 H N -1.077 117.886 119.070 -0.178 0.000 2.672 248 H HA 0.004 4.560 4.556 0.000 0.000 0.325 248 H C 0.601 176.031 175.328 0.170 0.000 1.158 248 H CA 0.883 57.004 56.048 0.122 0.000 1.134 248 H CB -1.035 28.884 29.762 0.262 0.000 1.553 248 H HN 1.203 nan 8.280 nan 0.000 0.419 249 A N 1.336 124.291 122.820 0.225 0.000 2.242 249 A HA 0.776 5.096 4.320 0.000 0.000 0.304 249 A C 0.158 177.958 177.584 0.359 0.000 1.100 249 A CA 0.118 52.316 52.037 0.270 0.000 0.860 249 A CB 1.077 20.178 19.000 0.168 0.000 1.168 249 A HN 0.887 nan 8.150 nan 0.000 0.503 250 S N -0.678 115.201 115.700 0.299 0.000 2.546 250 S HA 0.675 5.145 4.470 0.000 0.000 0.272 250 S C -0.870 173.855 174.600 0.208 0.000 1.140 250 S CA -0.507 57.871 58.200 0.298 0.000 0.920 250 S CB 0.725 64.044 63.200 0.198 0.000 1.083 250 S HN 0.562 nan 8.310 nan 0.000 0.476 251 I N 2.151 122.779 120.570 0.096 0.000 2.437 251 I HA 0.698 4.868 4.170 0.000 0.000 0.298 251 I C -0.593 175.594 176.117 0.116 0.000 0.984 251 I CA -1.100 60.177 61.300 -0.038 0.000 1.214 251 I CB 1.817 39.564 38.000 -0.423 0.000 1.365 251 I HN 0.545 nan 8.210 nan 0.000 0.469 252 V N 5.973 126.020 119.914 0.222 0.000 2.760 252 V HA 0.345 4.465 4.120 0.000 0.000 0.309 252 V C -1.038 175.111 176.094 0.092 0.000 1.077 252 V CA -0.319 62.120 62.300 0.231 0.000 0.910 252 V CB 2.125 34.132 31.823 0.306 0.000 1.008 252 V HN 0.848 nan 8.190 nan 0.000 0.424 253 Q N 3.870 123.595 119.800 -0.125 0.000 2.348 253 Q HA 0.490 4.830 4.340 0.000 0.000 0.265 253 Q C 0.020 175.932 176.000 -0.147 0.000 0.998 253 Q CA -0.492 54.964 55.803 -0.579 0.000 0.831 253 Q CB 1.574 29.652 28.738 -1.100 0.000 1.251 253 Q HN 0.981 nan 8.270 nan 0.000 0.456 254 T N 0.064 114.578 114.554 -0.066 0.000 2.748 254 T HA -0.009 4.341 4.350 0.000 0.000 0.304 254 T C 1.283 176.015 174.700 0.053 0.000 1.041 254 T CA 0.048 62.224 62.100 0.127 0.000 1.033 254 T CB 0.368 69.211 68.868 -0.042 0.000 0.995 254 T HN 0.810 nan 8.240 nan 0.000 0.536 255 H N -0.602 118.559 119.070 0.152 0.000 2.546 255 H HA 0.011 4.567 4.556 0.000 0.000 0.277 255 H C 1.337 176.687 175.328 0.037 0.000 1.004 255 H CA 1.214 57.297 56.048 0.060 0.000 1.231 255 H CB -0.978 28.814 29.762 0.051 0.000 1.382 255 H HN 0.769 nan 8.280 nan 0.000 0.580 256 T N -2.002 112.347 114.554 -0.341 0.000 3.163 256 T HA 0.055 4.405 4.350 0.000 0.000 0.252 256 T C 0.184 174.830 174.700 -0.090 0.000 1.056 256 T CA 0.226 62.200 62.100 -0.210 0.000 0.947 256 T CB -0.375 68.337 68.868 -0.261 0.000 1.016 256 T HN 0.265 nan 8.240 nan 0.000 0.554 257 D N 1.071 121.413 120.400 -0.097 0.000 2.699 257 D HA -0.150 4.490 4.640 0.000 0.000 0.239 257 D C -0.585 175.668 176.300 -0.079 0.000 1.136 257 D CA 0.756 54.697 54.000 -0.098 0.000 0.668 257 D CB -1.327 39.470 40.800 -0.004 0.000 1.060 257 D HN 0.787 nan 8.370 nan 0.000 0.429 258 E N -0.541 119.574 120.200 -0.141 0.000 2.288 258 E HA 0.588 4.938 4.350 0.000 0.000 0.268 258 E C -0.522 175.995 176.600 -0.139 0.000 0.885 258 E CA -0.915 55.485 56.400 -0.000 0.000 0.767 258 E CB 0.994 30.787 29.700 0.155 0.000 1.220 258 E HN 0.130 nan 8.360 nan 0.000 0.427 259 W N 1.455 122.776 121.300 0.034 0.000 2.573 259 W HA 0.464 5.124 4.660 0.000 0.000 0.326 259 W C -0.797 175.540 176.519 -0.304 0.000 1.049 259 W CA -0.320 57.046 57.345 0.035 0.000 1.220 259 W CB 0.777 30.347 29.460 0.184 0.000 1.373 259 W HN 0.431 nan 8.180 nan 0.000 0.507 260 Y N 2.137 122.588 120.300 0.252 0.000 2.553 260 Y HA 0.607 5.157 4.550 0.000 0.000 0.347 260 Y C -0.859 175.130 175.900 0.148 0.000 1.019 260 Y CA -1.403 56.793 58.100 0.160 0.000 1.032 260 Y CB 1.982 40.499 38.460 0.096 0.000 1.284 260 Y HN 0.167 nan 8.280 nan 0.000 0.466 261 L N 2.554 123.935 121.223 0.264 0.000 2.345 261 L HA 0.837 5.177 4.340 0.000 0.000 0.274 261 L C -0.584 176.433 176.870 0.245 0.000 0.999 261 L CA -0.426 54.533 54.840 0.198 0.000 0.849 261 L CB 0.691 42.810 42.059 0.101 0.000 1.220 261 L HN 0.702 nan 8.230 nan 0.000 0.422 262 A N 3.793 126.737 122.820 0.206 0.000 2.354 262 A HA 0.665 4.986 4.320 0.000 0.000 0.269 262 A C -0.784 176.916 177.584 0.193 0.000 1.109 262 A CA 0.175 52.289 52.037 0.128 0.000 0.800 262 A CB -0.030 19.015 19.000 0.074 0.000 1.045 262 A HN 1.004 nan 8.150 nan 0.000 0.489 263 H N -0.886 118.210 119.070 0.043 0.000 3.042 263 H HA 0.550 5.106 4.556 0.000 0.000 0.346 263 H C -0.926 174.425 175.328 0.038 0.000 1.294 263 H CA -1.064 55.020 56.048 0.059 0.000 1.141 263 H CB 0.141 29.924 29.762 0.035 0.000 1.872 263 H HN 0.770 nan 8.280 nan 0.000 0.541 264 L N -0.329 120.979 121.223 0.142 0.000 2.439 264 L HA 0.844 5.184 4.340 0.000 0.000 0.261 264 L C 0.124 177.098 176.870 0.174 0.000 1.153 264 L CA -0.017 54.871 54.840 0.080 0.000 0.808 264 L CB 1.320 43.458 42.059 0.132 0.000 1.126 264 L HN 0.964 nan 8.230 nan 0.000 0.460 265 T N 0.119 114.729 114.554 0.092 0.000 2.802 265 T HA 0.748 5.098 4.350 0.000 0.000 0.311 265 T C -0.845 173.904 174.700 0.083 0.000 1.405 265 T CA -0.100 62.078 62.100 0.130 0.000 1.016 265 T CB 1.253 70.191 68.868 0.116 0.000 1.352 265 T HN 1.207 nan 8.240 nan 0.000 0.498 266 G N 1.805 110.654 108.800 0.083 0.000 2.643 266 G HA2 0.620 4.580 3.960 0.000 0.000 0.305 266 G HA3 0.620 4.580 3.960 0.000 0.000 0.305 266 G C -1.106 173.852 174.900 0.097 0.000 1.387 266 G CA -0.720 44.422 45.100 0.069 0.000 0.982 266 G HN 0.697 nan 8.290 nan 0.000 0.501 267 R N 3.191 123.747 120.500 0.094 0.000 2.471 267 R HA 0.276 4.616 4.340 0.000 0.000 0.292 267 R C -2.319 174.029 176.300 0.080 0.000 1.192 267 R CA -1.343 54.813 56.100 0.093 0.000 1.257 267 R CB 1.608 31.959 30.300 0.084 0.000 1.130 267 R HN 0.432 nan 8.270 nan 0.000 0.558 268 P HA 0.138 nan 4.420 nan 0.000 0.274 268 P C -0.149 177.015 177.300 -0.227 0.000 1.231 268 P CA -0.217 62.870 63.100 -0.022 0.000 0.790 268 P CB 1.005 32.718 31.700 0.020 0.000 0.951 269 I N -0.701 119.739 120.570 -0.217 0.000 2.707 269 I HA 0.501 4.671 4.170 0.000 0.000 0.309 269 I C -0.463 175.414 176.117 -0.400 0.000 1.001 269 I CA -1.126 60.039 61.300 -0.225 0.000 1.129 269 I CB 1.372 39.365 38.000 -0.012 0.000 1.308 269 I HN 0.291 nan 8.210 nan 0.000 0.466 270 H N 3.184 122.316 119.070 0.104 0.000 2.423 270 H HA 0.315 4.871 4.556 0.000 0.000 0.237 270 H C -1.971 173.412 175.328 0.093 0.000 1.391 270 H CA -1.187 54.919 56.048 0.096 0.000 1.453 270 H CB 0.354 30.136 29.762 0.034 0.000 1.484 270 H HN 0.546 nan 8.280 nan 0.000 0.505 271 P HA -0.026 nan 4.420 nan 0.000 0.230 271 P C 0.308 177.662 177.300 0.091 0.000 1.168 271 P CA 0.634 63.792 63.100 0.097 0.000 0.793 271 P CB 0.765 32.483 31.700 0.029 0.000 0.851 272 D N 0.085 120.567 120.400 0.136 0.000 2.355 272 D HA -0.064 4.576 4.640 0.000 0.000 0.218 272 D C 0.548 176.902 176.300 0.089 0.000 1.004 272 D CA 0.753 54.819 54.000 0.111 0.000 0.880 272 D CB -0.626 40.268 40.800 0.156 0.000 0.911 272 D HN 0.137 nan 8.370 nan 0.000 0.528 273 D N 0.499 120.955 120.400 0.093 0.000 2.945 273 D HA -0.142 4.498 4.640 0.000 0.000 0.225 273 D C -0.602 175.726 176.300 0.048 0.000 1.158 273 D CA 0.528 54.565 54.000 0.062 0.000 0.805 273 D CB -0.555 40.273 40.800 0.047 0.000 1.098 273 D HN 0.091 nan 8.370 nan 0.000 0.426 274 D N -0.724 119.711 120.400 0.058 0.000 2.440 274 D HA 0.246 4.886 4.640 0.000 0.000 0.269 274 D C 0.258 176.568 176.300 0.017 0.000 1.249 274 D CA -0.215 53.809 54.000 0.040 0.000 1.055 274 D CB 0.488 41.318 40.800 0.049 0.000 1.104 274 D HN 0.084 nan 8.370 nan 0.000 0.561 275 S N 0.002 115.714 115.700 0.020 0.000 2.474 275 S HA 0.146 4.616 4.470 0.000 0.000 0.276 275 S C 1.643 176.244 174.600 0.002 0.000 1.227 275 S CA -0.773 57.451 58.200 0.039 0.000 1.050 275 S CB -0.219 63.022 63.200 0.068 0.000 0.939 275 S HN 0.396 nan 8.310 nan 0.000 0.490 276 I N 2.426 122.950 120.570 -0.076 0.000 2.567 276 I HA -0.062 4.108 4.170 0.000 0.000 0.257 276 I C 1.229 177.155 176.117 -0.317 0.000 1.184 276 I CA 1.454 62.593 61.300 -0.267 0.000 1.451 276 I CB -0.519 37.186 38.000 -0.491 0.000 1.089 276 I HN 0.541 nan 8.210 nan 0.000 0.441 277 F N 1.418 121.265 119.950 -0.172 0.000 2.259 277 F HA -0.049 4.478 4.527 0.000 0.000 0.298 277 F C 2.706 178.423 175.800 -0.138 0.000 1.088 277 F CA 1.283 59.180 58.000 -0.173 0.000 1.358 277 F CB -0.284 38.629 39.000 -0.145 0.000 1.040 277 F HN 0.074 nan 8.300 nan 0.000 0.505 278 Q N -0.676 119.161 119.800 0.062 0.000 2.107 278 Q HA 0.016 4.356 4.340 0.000 0.000 0.195 278 Q C 0.291 176.259 176.000 -0.052 0.000 0.964 278 Q CA 0.595 56.408 55.803 0.017 0.000 0.833 278 Q CB 0.089 28.842 28.738 0.025 0.000 0.910 278 Q HN 0.146 nan 8.270 nan 0.000 0.465 279 Q N 1.093 120.846 119.800 -0.079 0.000 2.466 279 Q HA 0.233 4.573 4.340 0.000 0.000 0.242 279 Q C 0.332 176.196 176.000 -0.228 0.000 1.046 279 Q CA -0.128 55.592 55.803 -0.138 0.000 0.841 279 Q CB 1.100 29.797 28.738 -0.068 0.000 1.193 279 Q HN 0.194 nan 8.270 nan 0.000 0.508 280 R N 0.845 121.092 120.500 -0.422 0.000 2.241 280 R HA 0.045 4.385 4.340 0.000 0.000 0.224 280 R C 0.865 176.879 176.300 -0.476 0.000 1.101 280 R CA 0.983 56.671 56.100 -0.687 0.000 0.995 280 R CB -0.098 29.259 30.300 -1.571 0.000 0.870 280 R HN 0.799 nan 8.270 nan 0.000 0.463 281 G N -0.735 107.827 108.800 -0.396 0.000 2.371 281 G HA2 -0.076 3.884 3.960 0.000 0.000 0.663 281 G HA3 -0.076 3.884 3.960 0.000 0.000 0.663 281 G C -1.728 172.946 174.900 -0.376 0.000 1.311 281 G CA -0.993 43.922 45.100 -0.308 0.000 0.985 281 G HN 0.081 nan 8.290 nan 0.000 0.566 282 Y N -1.232 119.071 120.300 0.005 0.000 2.409 282 Y HA 0.581 5.131 4.550 0.000 0.000 0.343 282 Y C 0.502 176.427 175.900 0.043 0.000 0.973 282 Y CA -0.759 57.372 58.100 0.051 0.000 1.064 282 Y CB 2.314 40.784 38.460 0.017 0.000 1.207 282 Y HN 0.674 nan 8.280 nan 0.000 0.452 283 C N 4.918 124.346 119.300 0.213 0.000 2.317 283 C HA 0.246 4.706 4.460 0.000 0.000 0.306 283 C C -1.491 173.585 174.990 0.145 0.000 1.087 283 C CA -1.404 57.707 59.018 0.155 0.000 1.529 283 C CB 0.206 28.024 27.740 0.129 0.000 1.880 283 C HN 0.691 nan 8.230 nan 0.000 0.417 284 P HA -0.050 nan 4.420 nan 0.000 0.220 284 P C 1.143 178.501 177.300 0.096 0.000 1.148 284 P CA 1.181 64.328 63.100 0.078 0.000 0.803 284 P CB 0.130 31.911 31.700 0.135 0.000 0.782 285 L N -2.249 119.066 121.223 0.154 0.000 2.627 285 L HA 0.193 4.534 4.340 0.000 0.000 0.233 285 L C 1.488 178.433 176.870 0.126 0.000 1.144 285 L CA 0.168 55.096 54.840 0.147 0.000 0.892 285 L CB -1.387 40.762 42.059 0.151 0.000 1.039 285 L HN 0.102 nan 8.230 nan 0.000 0.442 286 G N 1.316 110.199 108.800 0.138 0.000 2.564 286 G HA2 -0.318 3.642 3.960 0.000 0.000 0.273 286 G HA3 -0.318 3.642 3.960 0.000 0.000 0.273 286 G C -0.055 174.930 174.900 0.143 0.000 1.242 286 G CA -0.270 44.925 45.100 0.159 0.000 0.951 286 G HN 0.385 nan 8.290 nan 0.000 0.564 287 R N 1.263 121.863 120.500 0.167 0.000 2.255 287 R HA 0.500 4.840 4.340 0.000 0.000 0.326 287 R C 0.127 176.476 176.300 0.081 0.000 0.986 287 R CA -0.345 55.826 56.100 0.117 0.000 0.847 287 R CB 1.299 31.668 30.300 0.116 0.000 1.111 287 R HN 0.646 nan 8.270 nan 0.000 0.452 288 E N 0.795 121.010 120.200 0.025 0.000 2.254 288 E HA 0.324 4.674 4.350 0.000 0.000 0.258 288 E C -0.502 176.028 176.600 -0.117 0.000 1.033 288 E CA -0.816 55.553 56.400 -0.051 0.000 0.893 288 E CB 1.494 31.168 29.700 -0.044 0.000 1.204 288 E HN 0.271 nan 8.360 nan 0.000 0.425 289 T N 0.721 115.149 114.554 -0.210 0.000 2.794 289 T HA 0.603 4.954 4.350 0.000 0.000 0.280 289 T C -0.813 173.682 174.700 -0.341 0.000 0.987 289 T CA -0.537 61.389 62.100 -0.290 0.000 0.993 289 T CB 1.192 69.845 68.868 -0.359 0.000 0.939 289 T HN 0.504 nan 8.240 nan 0.000 0.449 290 A N 3.316 125.860 122.820 -0.459 0.000 2.430 290 A HA 0.923 5.243 4.320 0.000 0.000 0.300 290 A C -1.040 176.335 177.584 -0.347 0.000 1.124 290 A CA -0.807 50.982 52.037 -0.414 0.000 0.766 290 A CB 1.087 19.824 19.000 -0.439 0.000 1.328 290 A HN 0.822 nan 8.150 nan 0.000 0.424 291 I N 1.444 121.958 120.570 -0.093 0.000 2.447 291 I HA 0.293 4.463 4.170 0.000 0.000 0.287 291 I C -0.747 175.499 176.117 0.216 0.000 1.023 291 I CA -0.626 60.723 61.300 0.082 0.000 1.083 291 I CB 1.947 39.998 38.000 0.085 0.000 1.245 291 I HN 0.568 nan 8.210 nan 0.000 0.434 292 Q N 4.846 124.818 119.800 0.287 0.000 2.215 292 Q HA 0.472 4.812 4.340 0.000 0.000 0.256 292 Q C -0.663 175.471 176.000 0.223 0.000 0.972 292 Q CA -0.774 55.172 55.803 0.238 0.000 0.889 292 Q CB 2.651 31.490 28.738 0.169 0.000 1.281 292 Q HN 0.474 nan 8.270 nan 0.000 0.456 293 K N 1.345 121.809 120.400 0.108 0.000 2.130 293 K HA 0.537 4.857 4.320 0.000 0.000 0.268 293 K C -0.777 175.760 176.600 -0.105 0.000 0.983 293 K CA -0.331 55.856 56.287 -0.167 0.000 0.893 293 K CB 0.705 33.127 32.500 -0.130 0.000 1.066 293 K HN 0.459 nan 8.250 nan 0.000 0.450 294 L N 3.821 124.942 121.223 -0.170 0.000 2.322 294 L HA 0.560 4.900 4.340 0.000 0.000 0.269 294 L C -0.937 175.938 176.870 0.009 0.000 1.012 294 L CA -1.281 53.486 54.840 -0.122 0.000 0.815 294 L CB 1.312 43.251 42.059 -0.201 0.000 1.295 294 L HN 0.692 nan 8.230 nan 0.000 0.438 295 Y N -1.461 118.749 120.300 -0.151 0.000 2.504 295 Y HA 0.597 5.147 4.550 0.000 0.000 0.344 295 Y C -1.747 174.083 175.900 -0.117 0.000 1.023 295 Y CA -1.629 56.450 58.100 -0.034 0.000 1.020 295 Y CB 0.786 39.253 38.460 0.012 0.000 1.282 295 Y HN 0.368 nan 8.280 nan 0.000 0.454 296 W N 3.191 124.567 121.300 0.127 0.000 2.449 296 W HA 0.737 5.397 4.660 0.000 0.000 0.331 296 W C -0.426 176.211 176.519 0.197 0.000 1.119 296 W CA -0.684 56.692 57.345 0.053 0.000 1.240 296 W CB 1.806 31.202 29.460 -0.107 0.000 1.251 296 W HN 0.618 nan 8.180 nan 0.000 0.576 297 K N 2.532 123.198 120.400 0.443 0.000 2.616 297 K HA 0.095 4.415 4.320 0.000 0.000 0.255 297 K C -0.904 175.919 176.600 0.372 0.000 0.995 297 K CA -0.368 56.127 56.287 0.346 0.000 0.860 297 K CB 0.913 33.551 32.500 0.231 0.000 1.264 297 K HN 0.595 nan 8.250 nan 0.000 0.451 298 D N 4.174 124.735 120.400 0.267 0.000 2.772 298 D HA -0.172 4.468 4.640 0.000 0.000 0.233 298 D C -0.799 175.606 176.300 0.176 0.000 1.143 298 D CA 1.710 55.846 54.000 0.227 0.000 0.700 298 D CB -0.683 40.277 40.800 0.266 0.000 1.076 298 D HN 0.957 nan 8.370 nan 0.000 0.430 299 E N -2.510 117.815 120.200 0.208 0.000 2.513 299 E HA -0.243 4.107 4.350 0.000 0.000 0.257 299 E C -0.508 176.142 176.600 0.083 0.000 1.098 299 E CA 0.945 57.446 56.400 0.168 0.000 0.752 299 E CB -1.434 28.295 29.700 0.049 0.000 1.324 299 E HN 0.591 nan 8.360 nan 0.000 0.403 300 W N 0.359 121.815 121.300 0.260 0.000 2.957 300 W HA 0.353 5.013 4.660 0.000 0.000 0.336 300 W C -2.404 173.821 176.519 -0.489 0.000 1.087 300 W CA -2.181 55.087 57.345 -0.127 0.000 1.235 300 W CB 1.503 30.730 29.460 -0.389 0.000 1.399 300 W HN -0.186 nan 8.180 nan 0.000 0.480 301 P HA 0.268 nan 4.420 nan 0.000 0.284 301 P C -1.488 175.328 177.300 -0.806 0.000 1.253 301 P CA -0.022 62.329 63.100 -1.249 0.000 0.800 301 P CB 1.493 32.294 31.700 -1.497 0.000 0.961 302 Y N -0.211 119.582 120.300 -0.845 0.000 2.512 302 Y HA 0.290 4.840 4.550 0.000 0.000 0.348 302 Y C 0.233 175.749 175.900 -0.639 0.000 0.990 302 Y CA -1.229 56.404 58.100 -0.778 0.000 1.033 302 Y CB 2.166 39.926 38.460 -1.165 0.000 1.259 302 Y HN 0.029 nan 8.280 nan 0.000 0.461 303 V N 3.826 123.627 119.914 -0.188 0.000 2.488 303 V HA 0.124 4.244 4.120 0.000 0.000 0.277 303 V C -0.072 176.098 176.094 0.127 0.000 1.046 303 V CA -0.758 61.507 62.300 -0.058 0.000 0.986 303 V CB 0.812 32.596 31.823 -0.064 0.000 0.989 303 V HN 0.513 nan 8.190 nan 0.000 0.475 304 V N 5.323 125.349 119.914 0.188 0.000 2.529 304 V HA 0.415 4.535 4.120 0.000 0.000 0.292 304 V C 1.405 177.582 176.094 0.137 0.000 1.028 304 V CA 1.382 63.826 62.300 0.240 0.000 1.074 304 V CB 0.216 32.135 31.823 0.160 0.000 0.958 304 V HN 1.278 nan 8.190 nan 0.000 0.481 305 G N 3.170 112.041 108.800 0.118 0.000 2.176 305 G HA2 0.181 4.141 3.960 0.000 0.000 0.253 305 G HA3 0.181 4.141 3.960 0.000 0.000 0.253 305 G C 0.716 175.663 174.900 0.080 0.000 0.979 305 G CA -0.098 45.049 45.100 0.078 0.000 0.641 305 G HN 2.397 nan 8.290 nan 0.000 0.530 306 G N -0.737 108.123 108.800 0.100 0.000 2.576 306 G HA2 0.369 4.329 3.960 0.000 0.000 0.686 306 G HA3 0.369 4.329 3.960 0.000 0.000 0.686 306 G C 0.436 175.372 174.900 0.060 0.000 1.242 306 G CA 0.434 45.586 45.100 0.086 0.000 0.819 306 G HN 1.459 nan 8.290 nan 0.000 0.655 307 K N -0.192 120.239 120.400 0.052 0.000 2.362 307 K HA 0.019 4.339 4.320 0.000 0.000 0.200 307 K C 1.584 178.191 176.600 0.013 0.000 1.046 307 K CA 1.975 58.267 56.287 0.007 0.000 0.952 307 K CB 0.107 32.607 32.500 -0.000 0.000 0.753 307 K HN 0.427 nan 8.250 nan 0.000 0.466 308 E N 1.174 121.405 120.200 0.052 0.000 2.110 308 E HA 0.009 4.359 4.350 0.000 0.000 0.193 308 E C 0.606 177.200 176.600 -0.009 0.000 0.988 308 E CA 1.171 57.577 56.400 0.010 0.000 0.804 308 E CB -0.096 29.605 29.700 0.002 0.000 0.745 308 E HN 0.560 nan 8.360 nan 0.000 0.458 309 G N -0.536 108.270 108.800 0.010 0.000 3.067 309 G HA2 -0.052 3.908 3.960 0.000 0.000 0.686 309 G HA3 -0.052 3.908 3.960 0.000 0.000 0.686 309 G C -0.325 174.622 174.900 0.078 0.000 1.119 309 G CA -0.320 44.805 45.100 0.041 0.000 0.790 309 G HN 0.097 nan 8.290 nan 0.000 0.605 310 S N 0.786 116.545 115.700 0.098 0.000 2.664 310 S HA 0.678 5.148 4.470 0.000 0.000 0.304 310 S C 1.667 176.322 174.600 0.091 0.000 1.099 310 S CA -0.676 57.575 58.200 0.085 0.000 1.003 310 S CB 1.870 65.116 63.200 0.076 0.000 1.092 310 S HN 0.608 nan 8.310 nan 0.000 0.525 311 L N 0.561 121.828 121.223 0.072 0.000 2.127 311 L HA 0.148 4.489 4.340 0.000 0.000 0.203 311 L C 0.492 177.400 176.870 0.063 0.000 1.080 311 L CA 0.967 55.846 54.840 0.064 0.000 0.768 311 L CB -0.020 42.072 42.059 0.054 0.000 0.924 311 L HN 0.500 nan 8.230 nan 0.000 0.444 312 E N 0.947 121.184 120.200 0.061 0.000 2.134 312 E HA 0.404 4.754 4.350 0.000 0.000 0.278 312 E C -0.989 175.656 176.600 0.076 0.000 0.959 312 E CA -0.149 56.287 56.400 0.060 0.000 0.783 312 E CB 2.467 32.195 29.700 0.047 0.000 1.095 312 E HN -0.163 nan 8.360 nan 0.000 0.399 313 V N 2.747 122.716 119.914 0.091 0.000 2.656 313 V HA 0.146 4.266 4.120 0.000 0.000 0.307 313 V C -0.196 175.978 176.094 0.134 0.000 1.051 313 V CA -1.101 61.275 62.300 0.126 0.000 0.893 313 V CB 2.288 34.216 31.823 0.175 0.000 0.999 313 V HN 0.505 nan 8.190 nan 0.000 0.426 314 D N 3.415 123.900 120.400 0.142 0.000 2.450 314 D HA 0.334 4.974 4.640 0.000 0.000 0.247 314 D C 0.388 176.812 176.300 0.207 0.000 1.162 314 D CA 0.444 54.526 54.000 0.137 0.000 0.879 314 D CB 1.493 42.361 40.800 0.114 0.000 1.163 314 D HN 0.777 nan 8.370 nan 0.000 0.472 315 A N 4.806 127.690 122.820 0.107 0.000 2.351 315 A HA 0.454 4.774 4.320 0.000 0.000 0.257 315 A C -1.964 175.657 177.584 0.061 0.000 1.087 315 A CA -1.032 51.022 52.037 0.028 0.000 0.798 315 A CB 0.062 19.035 19.000 -0.045 0.000 1.033 315 A HN 0.389 nan 8.150 nan 0.000 0.488 316 P HA 0.073 nan 4.420 nan 0.000 0.272 316 P C 0.063 177.342 177.300 -0.036 0.000 1.240 316 P CA -0.087 63.019 63.100 0.010 0.000 0.791 316 P CB 0.538 32.141 31.700 -0.163 0.000 0.978 317 S N 0.465 116.151 115.700 -0.023 0.000 3.864 317 S HA 0.292 4.763 4.470 0.000 0.000 0.202 317 S C 0.487 175.057 174.600 -0.050 0.000 1.402 317 S CA -0.525 57.657 58.200 -0.029 0.000 1.072 317 S CB -1.575 61.619 63.200 -0.010 0.000 1.383 317 S HN 0.475 nan 8.310 nan 0.000 0.458 318 I N -1.103 119.430 120.570 -0.063 0.000 2.608 318 I HA 0.622 4.793 4.170 0.000 0.000 0.295 318 I C -2.634 173.459 176.117 -0.041 0.000 1.049 318 I CA -2.571 58.712 61.300 -0.030 0.000 1.063 318 I CB 1.497 39.492 38.000 -0.008 0.000 1.248 318 I HN -0.001 nan 8.210 nan 0.000 0.424 319 P HA -0.007 nan 4.420 nan 0.000 0.265 319 P C -0.614 176.631 177.300 -0.092 0.000 1.187 319 P CA 0.049 63.118 63.100 -0.051 0.000 0.766 319 P CB 0.548 32.226 31.700 -0.037 0.000 0.820 320 E N 1.242 121.376 120.200 -0.110 0.000 2.384 320 E HA 0.115 4.466 4.350 0.000 0.000 0.266 320 E C -0.748 175.726 176.600 -0.211 0.000 1.012 320 E CA 0.168 56.473 56.400 -0.158 0.000 0.901 320 E CB 0.267 29.886 29.700 -0.136 0.000 0.967 320 E HN 0.326 nan 8.360 nan 0.000 0.435 321 T N 6.079 120.442 114.554 -0.320 0.000 3.008 321 T HA 0.278 4.628 4.350 0.000 0.000 0.328 321 T C -0.430 173.798 174.700 -0.788 0.000 1.020 321 T CA -0.608 61.207 62.100 -0.475 0.000 1.043 321 T CB -0.081 68.512 68.868 -0.458 0.000 1.010 321 T HN 0.477 nan 8.240 nan 0.000 0.466 322 I N 0.101 120.298 120.570 -0.621 0.000 2.612 322 I HA 0.848 5.018 4.170 0.000 0.000 0.295 322 I C -0.803 174.861 176.117 -0.755 0.000 1.011 322 I CA -0.588 60.352 61.300 -0.600 0.000 1.326 322 I CB 0.318 38.152 38.000 -0.276 0.000 1.427 322 I HN 0.266 nan 8.210 nan 0.000 0.537 323 F N 1.356 121.197 119.950 -0.183 0.000 2.561 323 F HA 0.508 5.035 4.527 0.000 0.000 0.321 323 F C 0.362 176.105 175.800 -0.095 0.000 1.065 323 F CA -0.868 57.010 58.000 -0.204 0.000 0.934 323 F CB 1.231 39.959 39.000 -0.454 0.000 1.215 323 F HN 0.642 nan 8.300 nan 0.000 0.471 324 E N 1.182 121.468 120.200 0.144 0.000 2.390 324 E HA 0.512 4.862 4.350 0.000 0.000 0.261 324 E C -0.463 176.187 176.600 0.085 0.000 1.076 324 E CA -0.769 55.675 56.400 0.074 0.000 0.905 324 E CB 1.034 30.767 29.700 0.054 0.000 0.984 324 E HN 0.678 nan 8.360 nan 0.000 0.427 325 A N 2.157 124.983 122.820 0.010 0.000 2.565 325 A HA 0.026 4.346 4.320 0.000 0.000 0.237 325 A C 1.216 178.801 177.584 0.001 0.000 1.053 325 A CA 0.394 52.405 52.037 -0.043 0.000 0.755 325 A CB -0.145 18.728 19.000 -0.212 0.000 0.980 325 A HN 0.759 nan 8.150 nan 0.000 0.506 326 T N -0.427 114.175 114.554 0.080 0.000 3.118 326 T HA 0.226 4.576 4.350 0.000 0.000 0.260 326 T C 0.112 174.902 174.700 0.151 0.000 1.139 326 T CA 1.241 63.413 62.100 0.121 0.000 1.085 326 T CB -0.740 68.208 68.868 0.133 0.000 0.934 326 T HN 1.048 nan 8.240 nan 0.000 0.518 327 Y N -0.675 119.610 120.300 -0.025 0.000 2.513 327 Y HA 0.731 5.281 4.550 0.000 0.000 0.340 327 Y C -3.243 172.649 175.900 -0.014 0.000 1.055 327 Y CA -2.985 55.085 58.100 -0.050 0.000 1.020 327 Y CB 0.687 39.070 38.460 -0.127 0.000 1.301 327 Y HN -0.202 nan 8.280 nan 0.000 0.453 328 P HA 0.167 nan 4.420 nan 0.000 0.281 328 P C 0.077 177.379 177.300 0.004 0.000 1.249 328 P CA -0.239 62.815 63.100 -0.077 0.000 0.810 328 P CB 2.283 33.978 31.700 -0.008 0.000 1.008 329 E N 0.733 120.903 120.200 -0.049 0.000 2.085 329 E HA -0.069 4.281 4.350 0.000 0.000 0.194 329 E C -0.204 176.454 176.600 0.098 0.000 0.994 329 E CA 1.025 57.452 56.400 0.045 0.000 0.801 329 E CB 0.159 29.845 29.700 -0.023 0.000 0.743 329 E HN 0.207 nan 8.360 nan 0.000 0.453 330 V N 2.351 122.288 119.914 0.038 0.000 2.376 330 V HA 0.122 4.242 4.120 0.000 0.000 0.287 330 V C -0.655 175.448 176.094 0.016 0.000 1.015 330 V CA -0.794 61.525 62.300 0.032 0.000 0.834 330 V CB 1.388 33.170 31.823 -0.068 0.000 1.001 330 V HN 0.077 nan 8.190 nan 0.000 0.428 331 D N 3.996 124.415 120.400 0.030 0.000 2.365 331 D HA 0.164 4.804 4.640 0.000 0.000 0.237 331 D C 0.901 176.991 176.300 -0.351 0.000 1.190 331 D CA -0.166 53.750 54.000 -0.140 0.000 0.867 331 D CB 1.307 42.020 40.800 -0.145 0.000 1.050 331 D HN 0.497 nan 8.370 nan 0.000 0.491 332 E N 3.019 123.111 120.200 -0.179 0.000 2.476 332 E HA -0.042 4.308 4.350 0.000 0.000 0.191 332 E C 0.250 176.864 176.600 0.024 0.000 1.064 332 E CA -0.227 56.128 56.400 -0.075 0.000 0.866 332 E CB -0.101 29.594 29.700 -0.009 0.000 0.952 332 E HN 0.505 nan 8.360 nan 0.000 0.492 333 F N 0.538 120.578 119.950 0.149 0.000 3.067 333 F HA -0.247 4.281 4.527 0.000 0.000 0.279 333 F C 1.048 176.908 175.800 0.100 0.000 0.945 333 F CA 0.567 58.642 58.000 0.125 0.000 0.948 333 F CB -2.383 36.688 39.000 0.118 0.000 0.898 333 F HN 0.149 nan 8.300 nan 0.000 0.746 334 E N -1.196 119.124 120.200 0.200 0.000 2.385 334 E HA -0.031 4.319 4.350 0.000 0.000 0.194 334 E C 0.627 177.315 176.600 0.146 0.000 1.013 334 E CA 0.375 56.866 56.400 0.151 0.000 0.866 334 E CB 0.200 29.959 29.700 0.098 0.000 0.832 334 E HN 0.324 nan 8.360 nan 0.000 0.500 335 D N 0.211 120.708 120.400 0.161 0.000 2.225 335 D HA 0.038 4.678 4.640 0.000 0.000 0.249 335 D C 0.844 177.239 176.300 0.159 0.000 1.052 335 D CA 0.024 54.109 54.000 0.141 0.000 0.909 335 D CB 1.724 42.605 40.800 0.136 0.000 1.186 335 D HN -0.035 nan 8.370 nan 0.000 0.431 336 S N -0.196 115.583 115.700 0.132 0.000 2.607 336 S HA 0.001 4.471 4.470 0.000 0.000 0.224 336 S C 0.759 175.443 174.600 0.139 0.000 0.969 336 S CA 0.034 58.314 58.200 0.133 0.000 0.927 336 S CB 0.017 63.283 63.200 0.111 0.000 0.772 336 S HN 0.310 nan 8.310 nan 0.000 0.533 337 T N 2.630 117.264 114.554 0.134 0.000 2.797 337 T HA 0.462 4.812 4.350 0.000 0.000 0.279 337 T C -0.236 174.544 174.700 0.133 0.000 0.991 337 T CA -0.665 61.510 62.100 0.126 0.000 0.979 337 T CB 1.406 70.336 68.868 0.103 0.000 0.943 337 T HN 0.225 nan 8.240 nan 0.000 0.444 338 L N 3.652 124.931 121.223 0.093 0.000 2.453 338 L HA 0.156 4.496 4.340 0.000 0.000 0.272 338 L C 1.273 178.238 176.870 0.159 0.000 1.182 338 L CA -0.377 54.508 54.840 0.075 0.000 0.858 338 L CB 0.380 42.345 42.059 -0.156 0.000 1.120 338 L HN 0.674 nan 8.230 nan 0.000 0.474 339 N N 3.172 122.045 118.700 0.289 0.000 2.356 339 N HA -0.124 4.616 4.740 0.000 0.000 0.252 339 N C 1.096 176.643 175.510 0.062 0.000 1.241 339 N CA 0.208 53.350 53.050 0.153 0.000 0.861 339 N CB 0.751 39.275 38.487 0.062 0.000 1.075 339 N HN 0.669 nan 8.380 nan 0.000 0.461 340 I N 3.475 124.057 120.570 0.021 0.000 2.530 340 I HA -0.279 3.891 4.170 0.000 0.000 0.257 340 I C 1.379 177.488 176.117 -0.014 0.000 1.179 340 I CA 1.076 62.394 61.300 0.030 0.000 1.440 340 I CB -0.048 37.962 38.000 0.017 0.000 1.087 340 I HN 0.548 nan 8.210 nan 0.000 0.440 341 N N 0.112 118.704 118.700 -0.179 0.000 2.515 341 N HA -0.027 4.713 4.740 0.000 0.000 0.185 341 N C -0.161 175.114 175.510 -0.392 0.000 1.109 341 N CA 0.435 53.281 53.050 -0.341 0.000 0.903 341 N CB 0.160 38.307 38.487 -0.567 0.000 0.969 341 N HN 0.147 nan 8.380 nan 0.000 0.450 342 F N 1.375 121.210 119.950 -0.191 0.000 2.385 342 F HA 0.371 4.898 4.527 0.000 0.000 0.336 342 F C 0.645 176.319 175.800 -0.210 0.000 1.100 342 F CA -0.453 57.402 58.000 -0.241 0.000 1.116 342 F CB 1.116 39.959 39.000 -0.262 0.000 1.166 342 F HN -0.246 nan 8.300 nan 0.000 0.511 343 Q N 0.539 120.371 119.800 0.053 0.000 2.456 343 Q HA 0.558 4.898 4.340 0.000 0.000 0.283 343 Q C -0.863 175.213 176.000 0.126 0.000 1.084 343 Q CA -1.053 54.788 55.803 0.064 0.000 0.801 343 Q CB 2.975 31.791 28.738 0.129 0.000 1.434 343 Q HN 0.727 nan 8.270 nan 0.000 0.419 344 T N -2.029 112.630 114.554 0.176 0.000 2.940 344 T HA 0.646 4.996 4.350 0.000 0.000 0.288 344 T C -0.231 174.451 174.700 -0.030 0.000 1.045 344 T CA -0.861 61.279 62.100 0.065 0.000 1.018 344 T CB 0.693 69.594 68.868 0.054 0.000 1.151 344 T HN 0.380 nan 8.240 nan 0.000 0.529 345 L N 2.435 123.482 121.223 -0.293 0.000 2.278 345 L HA 0.414 4.755 4.340 0.000 0.000 0.287 345 L C 1.361 178.054 176.870 -0.295 0.000 1.072 345 L CA -0.486 54.043 54.840 -0.519 0.000 0.819 345 L CB 0.325 42.039 42.059 -0.576 0.000 1.176 345 L HN 0.847 nan 8.230 nan 0.000 0.435 346 R N 1.322 121.679 120.500 -0.237 0.000 3.154 346 R HA -0.281 4.059 4.340 0.000 0.000 0.235 346 R C 0.335 176.460 176.300 -0.292 0.000 0.808 346 R CA 2.245 58.243 56.100 -0.170 0.000 1.801 346 R CB -1.468 28.703 30.300 -0.215 0.000 1.411 346 R HN 0.711 nan 8.270 nan 0.000 0.589 347 I N -0.679 119.675 120.570 -0.361 0.000 2.863 347 I HA 0.604 4.774 4.170 0.000 0.000 0.311 347 I C -2.374 173.359 176.117 -0.639 0.000 1.026 347 I CA -2.846 58.107 61.300 -0.579 0.000 1.077 347 I CB 1.780 39.578 38.000 -0.336 0.000 1.262 347 I HN -0.219 nan 8.210 nan 0.000 0.461 348 P HA 0.056 nan 4.420 nan 0.000 0.272 348 P C -0.909 176.369 177.300 -0.036 0.000 1.223 348 P CA 0.016 62.953 63.100 -0.271 0.000 0.784 348 P CB 0.578 32.171 31.700 -0.179 0.000 0.923 349 F N 3.208 123.139 119.950 -0.030 0.000 2.462 349 F HA 0.222 4.749 4.527 0.000 0.000 0.360 349 F C 0.474 176.254 175.800 -0.034 0.000 1.134 349 F CA 0.376 58.348 58.000 -0.047 0.000 1.148 349 F CB -0.186 38.797 39.000 -0.027 0.000 1.147 349 F HN 0.278 nan 8.300 nan 0.000 0.550 350 T N 1.583 115.850 114.554 -0.479 0.000 2.905 350 T HA 0.305 4.655 4.350 0.000 0.000 0.283 350 T C 0.966 175.367 174.700 -0.499 0.000 1.031 350 T CA -0.930 60.937 62.100 -0.389 0.000 1.002 350 T CB 1.081 69.817 68.868 -0.221 0.000 1.200 350 T HN 0.406 nan 8.240 nan 0.000 0.560 351 N N 0.296 118.833 118.700 -0.271 0.000 2.364 351 N HA -0.086 4.654 4.740 0.000 0.000 0.183 351 N C 1.580 177.023 175.510 -0.112 0.000 1.022 351 N CA 1.008 53.963 53.050 -0.159 0.000 0.883 351 N CB -0.453 37.982 38.487 -0.086 0.000 0.965 351 N HN 0.795 nan 8.380 nan 0.000 0.438 352 E N 0.957 121.051 120.200 -0.176 0.000 2.072 352 E HA -0.014 4.336 4.350 0.000 0.000 0.191 352 E C 1.892 178.456 176.600 -0.060 0.000 0.985 352 E CA 0.856 57.155 56.400 -0.168 0.000 0.801 352 E CB -0.180 29.412 29.700 -0.180 0.000 0.750 352 E HN 0.298 nan 8.360 nan 0.000 0.452 353 L N -1.188 119.926 121.223 -0.181 0.000 2.095 353 L HA 0.242 4.582 4.340 0.000 0.000 0.204 353 L C 1.350 178.265 176.870 0.074 0.000 1.080 353 L CA 0.678 55.432 54.840 -0.144 0.000 0.759 353 L CB -0.087 41.821 42.059 -0.252 0.000 0.914 353 L HN 0.248 nan 8.230 nan 0.000 0.439 354 G N -1.846 106.869 108.800 -0.142 0.000 2.554 354 G HA2 0.445 4.405 3.960 0.000 0.000 0.306 354 G HA3 0.445 4.405 3.960 0.000 0.000 0.306 354 G C -1.744 173.093 174.900 -0.104 0.000 1.320 354 G CA -0.076 44.964 45.100 -0.101 0.000 0.800 354 G HN -0.127 nan 8.290 nan 0.000 0.481 355 S N -1.656 114.060 115.700 0.027 0.000 2.537 355 S HA 0.522 4.992 4.470 0.000 0.000 0.271 355 S C -0.378 174.293 174.600 0.119 0.000 1.148 355 S CA -0.572 57.687 58.200 0.098 0.000 0.868 355 S CB 1.378 64.649 63.200 0.118 0.000 1.115 355 S HN 0.643 nan 8.310 nan 0.000 0.461 356 L N 2.983 124.298 121.223 0.153 0.000 2.766 356 L HA 0.231 4.572 4.340 0.000 0.000 0.242 356 L C 1.932 178.883 176.870 0.135 0.000 1.136 356 L CA 0.630 55.547 54.840 0.129 0.000 0.933 356 L CB 0.431 42.580 42.059 0.150 0.000 1.241 356 L HN 0.895 nan 8.230 nan 0.000 0.522 357 T N -5.399 109.229 114.554 0.123 0.000 3.018 357 T HA 0.006 4.356 4.350 0.000 0.000 0.246 357 T C 1.617 176.382 174.700 0.109 0.000 1.026 357 T CA -0.048 62.120 62.100 0.114 0.000 1.081 357 T CB 0.127 69.054 68.868 0.099 0.000 0.970 357 T HN 0.089 nan 8.240 nan 0.000 0.475 358 Q N 1.436 121.301 119.800 0.108 0.000 2.061 358 Q HA 0.095 4.435 4.340 0.000 0.000 0.204 358 Q C 0.947 177.004 176.000 0.095 0.000 0.984 358 Q CA 1.418 57.284 55.803 0.106 0.000 0.846 358 Q CB -0.134 28.686 28.738 0.136 0.000 0.902 358 Q HN 0.675 nan 8.270 nan 0.000 0.421 359 A N 1.608 124.487 122.820 0.098 0.000 2.664 359 A HA 0.412 4.732 4.320 0.000 0.000 0.338 359 A C -2.510 175.207 177.584 0.223 0.000 1.280 359 A CA -1.598 50.503 52.037 0.105 0.000 0.809 359 A CB 0.533 19.539 19.000 0.010 0.000 1.114 359 A HN -0.044 nan 8.150 nan 0.000 0.479 360 P HA -0.018 nan 4.420 nan 0.000 0.263 360 P C 0.122 177.615 177.300 0.322 0.000 1.175 360 P CA 0.964 64.202 63.100 0.229 0.000 0.761 360 P CB 0.007 31.814 31.700 0.177 0.000 0.794 361 N N -0.777 118.066 118.700 0.238 0.000 2.747 361 N HA -0.225 4.515 4.740 0.000 0.000 0.249 361 N C -0.602 174.928 175.510 0.034 0.000 1.107 361 N CA 0.635 53.782 53.050 0.162 0.000 0.707 361 N CB -1.682 36.856 38.487 0.085 0.000 1.054 361 N HN 0.645 nan 8.380 nan 0.000 0.555 362 H N -0.894 118.328 119.070 0.253 0.000 3.046 362 H HA 0.551 5.107 4.556 0.000 0.000 0.361 362 H C -1.196 174.098 175.328 -0.058 0.000 1.235 362 H CA -0.812 55.353 56.048 0.195 0.000 1.146 362 H CB 1.147 31.002 29.762 0.154 0.000 1.859 362 H HN 0.041 nan 8.280 nan 0.000 0.548 363 L N 2.187 123.291 121.223 -0.199 0.000 2.297 363 L HA 0.411 4.751 4.340 0.000 0.000 0.277 363 L C -0.222 176.600 176.870 -0.081 0.000 1.040 363 L CA -0.324 54.235 54.840 -0.469 0.000 0.867 363 L CB 0.292 41.605 42.059 -1.244 0.000 1.244 363 L HN 0.549 nan 8.230 nan 0.000 0.433 364 R N 5.235 125.689 120.500 -0.076 0.000 2.265 364 R HA 0.552 4.892 4.340 0.000 0.000 0.314 364 R C -1.497 174.646 176.300 -0.262 0.000 1.053 364 R CA -0.360 55.639 56.100 -0.169 0.000 0.931 364 R CB 0.484 30.616 30.300 -0.280 0.000 1.024 364 R HN 0.740 nan 8.270 nan 0.000 0.457 365 L N 6.087 127.200 121.223 -0.185 0.000 2.319 365 L HA 0.417 4.757 4.340 0.000 0.000 0.281 365 L C -0.910 175.868 176.870 -0.153 0.000 1.005 365 L CA -0.869 53.902 54.840 -0.114 0.000 0.828 365 L CB 1.333 43.449 42.059 0.095 0.000 1.227 365 L HN 0.582 nan 8.230 nan 0.000 0.415 366 F N 1.278 121.314 119.950 0.144 0.000 2.438 366 F HA 0.315 4.843 4.527 0.000 0.000 0.356 366 F C 1.411 177.350 175.800 0.232 0.000 1.099 366 F CA -0.451 57.643 58.000 0.156 0.000 1.185 366 F CB 0.751 39.812 39.000 0.102 0.000 1.115 366 F HN 0.475 nan 8.300 nan 0.000 0.526 367 G N 2.634 111.638 108.800 0.341 0.000 2.272 367 G HA2 0.220 4.181 3.960 0.000 0.000 0.247 367 G HA3 0.220 4.181 3.960 0.000 0.000 0.247 367 G C -0.481 174.544 174.900 0.208 0.000 1.272 367 G CA 0.150 45.402 45.100 0.254 0.000 0.921 367 G HN 0.762 nan 8.290 nan 0.000 0.495 368 H N 0.525 119.696 119.070 0.169 0.000 4.071 368 H HA 0.367 4.923 4.556 0.000 0.000 0.384 368 H C 0.329 175.712 175.328 0.093 0.000 1.441 368 H CA -0.592 55.555 56.048 0.165 0.000 1.200 368 H CB 0.336 30.160 29.762 0.102 0.000 0.860 368 H HN 0.537 nan 8.280 nan 0.000 0.765 369 E N 0.608 120.954 120.200 0.242 0.000 2.392 369 E HA 0.249 4.600 4.350 0.000 0.000 0.256 369 E C -0.067 176.579 176.600 0.078 0.000 1.145 369 E CA -0.276 56.203 56.400 0.132 0.000 0.929 369 E CB 0.763 30.546 29.700 0.139 0.000 0.998 369 E HN 0.505 nan 8.360 nan 0.000 0.442 370 S N 0.847 116.585 115.700 0.065 0.000 2.606 370 S HA 0.030 4.500 4.470 0.000 0.000 0.257 370 S C 1.059 175.654 174.600 -0.009 0.000 1.327 370 S CA -0.472 57.744 58.200 0.027 0.000 0.984 370 S CB 0.309 63.562 63.200 0.088 0.000 0.941 370 S HN 0.512 nan 8.310 nan 0.000 0.576 371 L N 0.695 121.831 121.223 -0.145 0.000 2.549 371 L HA -0.001 4.339 4.340 0.000 0.000 0.229 371 L C 2.421 179.402 176.870 0.184 0.000 1.158 371 L CA 1.151 55.825 54.840 -0.277 0.000 0.842 371 L CB -0.944 40.425 42.059 -1.150 0.000 0.952 371 L HN 1.018 nan 8.230 nan 0.000 0.452 372 T N -5.732 109.042 114.554 0.366 0.000 3.086 372 T HA 0.065 4.415 4.350 0.000 0.000 0.250 372 T C 0.850 175.767 174.700 0.362 0.000 1.074 372 T CA -0.209 62.212 62.100 0.536 0.000 0.988 372 T CB 0.231 69.522 68.868 0.705 0.000 0.988 372 T HN 0.050 nan 8.240 nan 0.000 0.530 373 S N 2.207 118.062 115.700 0.257 0.000 2.513 373 S HA 0.378 4.848 4.470 0.000 0.000 0.276 373 S C 1.215 175.927 174.600 0.186 0.000 1.254 373 S CA -0.398 57.946 58.200 0.240 0.000 1.053 373 S CB 0.811 64.138 63.200 0.212 0.000 0.958 373 S HN 0.573 nan 8.310 nan 0.000 0.491 374 T N 2.429 117.096 114.554 0.189 0.000 3.206 374 T HA 0.316 4.666 4.350 0.000 0.000 0.253 374 T C 0.633 175.163 174.700 -0.283 0.000 1.042 374 T CA -0.027 62.040 62.100 -0.055 0.000 0.931 374 T CB -0.412 68.372 68.868 -0.141 0.000 1.029 374 T HN 0.522 nan 8.240 nan 0.000 0.564 375 F N 1.438 121.382 119.950 -0.009 0.000 2.294 375 F HA 0.353 4.880 4.527 0.000 0.000 0.241 375 F C 0.857 176.621 175.800 -0.059 0.000 1.009 375 F CA -0.431 57.552 58.000 -0.029 0.000 1.165 375 F CB 0.154 39.151 39.000 -0.005 0.000 1.445 375 F HN -0.050 nan 8.300 nan 0.000 0.632 376 T N 2.185 116.853 114.554 0.189 0.000 2.963 376 T HA 0.368 4.718 4.350 0.000 0.000 0.343 376 T C -0.774 173.942 174.700 0.027 0.000 1.146 376 T CA -0.492 61.632 62.100 0.041 0.000 1.016 376 T CB 0.728 69.618 68.868 0.037 0.000 1.046 376 T HN 0.069 nan 8.240 nan 0.000 0.496 377 Q N 1.597 121.380 119.800 -0.029 0.000 2.333 377 Q HA 0.619 4.959 4.340 0.000 0.000 0.267 377 Q C -0.422 175.573 176.000 -0.008 0.000 1.012 377 Q CA -0.883 54.919 55.803 -0.002 0.000 0.824 377 Q CB 2.242 30.966 28.738 -0.023 0.000 1.290 377 Q HN 0.719 nan 8.270 nan 0.000 0.449 378 A N 3.511 126.359 122.820 0.047 0.000 3.056 378 A HA 0.295 4.615 4.320 0.000 0.000 0.274 378 A C -1.117 176.539 177.584 0.120 0.000 1.661 378 A CA 0.037 52.118 52.037 0.074 0.000 1.363 378 A CB -0.492 18.607 19.000 0.164 0.000 1.139 378 A HN 0.492 nan 8.150 nan 0.000 0.598 379 F N 2.260 122.137 119.950 -0.121 0.000 2.539 379 F HA 0.523 5.050 4.527 0.000 0.000 0.328 379 F C -1.087 174.617 175.800 -0.160 0.000 1.148 379 F CA -1.599 56.295 58.000 -0.177 0.000 0.940 379 F CB 1.878 40.729 39.000 -0.247 0.000 1.194 379 F HN 0.015 nan 8.300 nan 0.000 0.438 380 V N 6.351 126.104 119.914 -0.269 0.000 2.334 380 V HA 0.854 4.974 4.120 0.000 0.000 0.281 380 V C -0.039 175.673 176.094 -0.637 0.000 1.016 380 V CA -0.316 61.670 62.300 -0.524 0.000 0.832 380 V CB 0.634 32.030 31.823 -0.713 0.000 0.999 380 V HN 0.983 nan 8.190 nan 0.000 0.439 381 A N 5.795 128.292 122.820 -0.539 0.000 2.485 381 A HA 1.049 5.370 4.320 0.000 0.000 0.292 381 A C -0.499 177.092 177.584 0.011 0.000 1.147 381 A CA -0.978 50.868 52.037 -0.319 0.000 0.750 381 A CB 2.020 20.698 19.000 -0.538 0.000 1.331 381 A HN 0.939 nan 8.150 nan 0.000 0.419 382 R N 0.021 120.511 120.500 -0.016 0.000 2.837 382 R HA 0.736 5.077 4.340 0.000 0.000 0.271 382 R C -0.839 175.088 176.300 -0.621 0.000 0.993 382 R CA -0.920 54.988 56.100 -0.320 0.000 0.931 382 R CB 1.311 31.281 30.300 -0.551 0.000 1.206 382 R HN 0.639 nan 8.270 nan 0.000 0.474 383 R N 0.546 120.438 120.500 -1.013 0.000 2.641 383 R HA 0.096 4.436 4.340 0.000 0.000 0.269 383 R C -0.717 175.281 176.300 -0.504 0.000 1.074 383 R CA -0.142 55.303 56.100 -1.091 0.000 1.133 383 R CB 0.435 30.212 30.300 -0.871 0.000 1.029 383 R HN 0.477 nan 8.270 nan 0.000 0.488 384 W N 2.436 123.430 121.300 -0.511 0.000 2.433 384 W HA 0.174 4.834 4.660 0.000 0.000 0.331 384 W C 0.352 176.745 176.519 -0.211 0.000 1.110 384 W CA -0.316 56.848 57.345 -0.300 0.000 1.450 384 W CB 0.400 29.886 29.460 0.044 0.000 1.348 384 W HN 0.545 nan 8.180 nan 0.000 0.415 385 Q N 1.898 121.669 119.800 -0.048 0.000 2.204 385 Q HA 0.156 4.496 4.340 0.000 0.000 0.209 385 Q C 0.436 176.497 176.000 0.101 0.000 0.861 385 Q CA 0.058 55.867 55.803 0.010 0.000 0.971 385 Q CB 0.687 29.385 28.738 -0.067 0.000 1.095 385 Q HN 0.295 nan 8.270 nan 0.000 0.486 386 S N -0.699 115.108 115.700 0.178 0.000 2.565 386 S HA 0.290 4.760 4.470 0.000 0.000 0.274 386 S C -0.860 173.929 174.600 0.316 0.000 1.144 386 S CA -0.719 57.616 58.200 0.225 0.000 0.849 386 S CB 0.555 63.874 63.200 0.199 0.000 1.103 386 S HN 0.246 nan 8.310 nan 0.000 0.455 387 L N 2.220 123.539 121.223 0.159 0.000 2.728 387 L HA 0.413 4.753 4.340 0.000 0.000 0.235 387 L C -0.461 176.139 176.870 -0.451 0.000 1.197 387 L CA 0.143 54.945 54.840 -0.064 0.000 0.992 387 L CB -0.371 41.627 42.059 -0.102 0.000 1.263 387 L HN 0.704 nan 8.230 nan 0.000 0.484 388 H N -0.337 118.758 119.070 0.042 0.000 2.750 388 H HA 0.329 4.885 4.556 0.000 0.000 0.261 388 H C -0.748 174.560 175.328 -0.033 0.000 1.387 388 H CA -0.596 55.418 56.048 -0.057 0.000 1.557 388 H CB 0.584 30.334 29.762 -0.020 0.000 1.756 388 H HN 0.110 nan 8.280 nan 0.000 0.580 389 F N -1.086 118.742 119.950 -0.203 0.000 2.754 389 F HA 0.712 5.239 4.527 0.000 0.000 0.320 389 F C -1.362 174.238 175.800 -0.333 0.000 1.156 389 F CA -1.222 56.579 58.000 -0.332 0.000 0.950 389 F CB 1.923 40.601 39.000 -0.537 0.000 1.388 389 F HN 0.107 nan 8.300 nan 0.000 0.485 390 E N 0.995 121.144 120.200 -0.086 0.000 2.265 390 E HA 0.670 5.020 4.350 0.000 0.000 0.262 390 E C -1.727 174.864 176.600 -0.015 0.000 0.889 390 E CA -0.942 55.365 56.400 -0.154 0.000 0.789 390 E CB 1.918 31.494 29.700 -0.207 0.000 1.221 390 E HN 1.038 nan 8.360 nan 0.000 0.414 391 A N 4.159 127.013 122.820 0.057 0.000 2.337 391 A HA 0.700 5.020 4.320 0.000 0.000 0.329 391 A C -0.711 176.866 177.584 -0.011 0.000 1.146 391 A CA -0.473 51.596 52.037 0.054 0.000 0.800 391 A CB 1.431 20.609 19.000 0.297 0.000 1.220 391 A HN 0.690 nan 8.150 nan 0.000 0.472 392 E N 0.183 120.303 120.200 -0.134 0.000 2.392 392 E HA 0.628 4.978 4.350 0.000 0.000 0.279 392 E C -1.346 175.276 176.600 0.037 0.000 0.964 392 E CA -0.382 56.066 56.400 0.081 0.000 0.777 392 E CB 2.235 32.056 29.700 0.203 0.000 1.249 392 E HN 0.708 nan 8.360 nan 0.000 0.449 393 T N 0.632 115.275 114.554 0.148 0.000 2.821 393 T HA 0.762 5.112 4.350 0.000 0.000 0.306 393 T C -1.992 172.659 174.700 -0.082 0.000 1.313 393 T CA -0.049 62.024 62.100 -0.044 0.000 1.012 393 T CB 1.487 70.576 68.868 0.368 0.000 1.298 393 T HN 0.564 nan 8.240 nan 0.000 0.502 394 A N 1.825 124.460 122.820 -0.309 0.000 2.359 394 A HA 0.802 5.122 4.320 0.000 0.000 0.303 394 A C -1.057 176.487 177.584 -0.067 0.000 1.066 394 A CA -0.627 51.253 52.037 -0.262 0.000 0.730 394 A CB 1.604 20.293 19.000 -0.519 0.000 1.211 394 A HN 0.953 nan 8.150 nan 0.000 0.439 395 V N 2.088 121.962 119.914 -0.067 0.000 2.656 395 V HA 0.576 4.696 4.120 0.000 0.000 0.307 395 V C -0.456 175.551 176.094 -0.145 0.000 1.051 395 V CA -0.485 61.660 62.300 -0.258 0.000 0.893 395 V CB 1.677 33.123 31.823 -0.629 0.000 0.999 395 V HN 0.970 nan 8.190 nan 0.000 0.426 396 E N 5.660 125.743 120.200 -0.196 0.000 2.055 396 E HA 0.426 4.776 4.350 0.000 0.000 0.274 396 E C -1.945 174.440 176.600 -0.357 0.000 0.949 396 E CA -0.474 55.696 56.400 -0.383 0.000 0.775 396 E CB 0.975 30.409 29.700 -0.443 0.000 1.097 396 E HN 0.540 nan 8.360 nan 0.000 0.404 397 F N 4.563 124.087 119.950 -0.711 0.000 2.561 397 F HA 0.381 4.908 4.527 0.000 0.000 0.313 397 F C -1.759 173.632 175.800 -0.682 0.000 1.126 397 F CA -1.003 56.666 58.000 -0.552 0.000 0.918 397 F CB 1.302 40.109 39.000 -0.321 0.000 1.199 397 F HN 0.358 nan 8.300 nan 0.000 0.444 398 Y N 5.734 125.725 120.300 -0.515 0.000 2.658 398 Y HA 0.341 4.891 4.550 0.000 0.000 0.362 398 Y C -2.351 173.180 175.900 -0.615 0.000 1.017 398 Y CA -2.585 55.255 58.100 -0.433 0.000 1.134 398 Y CB -0.003 38.303 38.460 -0.257 0.000 1.144 398 Y HN 0.286 nan 8.280 nan 0.000 0.655 399 P HA 0.116 nan 4.420 nan 0.000 0.271 399 P C -0.081 177.034 177.300 -0.309 0.000 1.216 399 P CA 0.087 62.860 63.100 -0.545 0.000 0.771 399 P CB 1.763 33.236 31.700 -0.378 0.000 0.864 400 E N 1.399 121.390 120.200 -0.348 0.000 2.431 400 E HA 0.019 4.369 4.350 0.000 0.000 0.200 400 E C 0.242 176.426 176.600 -0.694 0.000 0.995 400 E CA 0.156 56.266 56.400 -0.483 0.000 0.915 400 E CB 0.218 29.741 29.700 -0.295 0.000 0.930 400 E HN 0.622 nan 8.360 nan 0.000 0.496 401 N N -1.030 117.445 118.700 -0.375 0.000 2.455 401 N HA 0.103 4.843 4.740 0.000 0.000 0.278 401 N C 0.167 175.722 175.510 0.075 0.000 1.291 401 N CA -0.891 52.077 53.050 -0.136 0.000 0.780 401 N CB 0.247 38.623 38.487 -0.186 0.000 1.520 401 N HN -0.065 nan 8.380 nan 0.000 0.486 402 F N -1.589 118.462 119.950 0.168 0.000 2.546 402 F HA 0.151 4.678 4.527 0.000 0.000 0.298 402 F C 0.963 176.815 175.800 0.086 0.000 1.120 402 F CA 0.459 58.538 58.000 0.131 0.000 1.456 402 F CB -0.291 38.764 39.000 0.091 0.000 1.088 402 F HN 0.491 nan 8.300 nan 0.000 0.572 403 Q N 0.629 120.092 119.800 -0.562 0.000 2.280 403 Q HA 0.152 4.492 4.340 0.000 0.000 0.202 403 Q C -0.342 175.590 176.000 -0.113 0.000 0.903 403 Q CA 0.106 55.674 55.803 -0.393 0.000 0.948 403 Q CB 0.103 28.513 28.738 -0.547 0.000 1.058 403 Q HN 0.594 nan 8.270 nan 0.000 0.493 404 Q N 0.282 120.079 119.800 -0.005 0.000 2.325 404 Q HA 0.692 5.032 4.340 0.000 0.000 0.270 404 Q C -1.290 174.899 176.000 0.314 0.000 1.020 404 Q CA -0.575 55.317 55.803 0.148 0.000 0.785 404 Q CB 2.231 31.025 28.738 0.094 0.000 1.259 404 Q HN 0.115 nan 8.270 nan 0.000 0.452 405 A N 1.608 124.608 122.820 0.300 0.000 2.549 405 A HA 0.948 5.269 4.320 0.000 0.000 0.297 405 A C -1.658 175.858 177.584 -0.114 0.000 1.061 405 A CA -0.485 51.685 52.037 0.221 0.000 0.690 405 A CB 1.843 20.916 19.000 0.122 0.000 1.287 405 A HN 0.694 nan 8.150 nan 0.000 0.402 406 A N 0.474 123.101 122.820 -0.321 0.000 2.517 406 A HA 0.958 5.279 4.320 0.000 0.000 0.297 406 A C -0.056 177.439 177.584 -0.148 0.000 1.050 406 A CA 0.248 52.012 52.037 -0.454 0.000 0.694 406 A CB 1.197 19.459 19.000 -1.230 0.000 1.277 406 A HN 2.663 nan 8.150 nan 0.000 0.400 407 G N -0.265 108.590 108.800 0.091 0.000 2.393 407 G HA2 0.563 4.524 3.960 0.000 0.000 0.264 407 G HA3 0.563 4.524 3.960 0.000 0.000 0.264 407 G C -1.944 173.135 174.900 0.298 0.000 1.221 407 G CA -0.230 45.004 45.100 0.223 0.000 0.912 407 G HN 1.524 nan 8.290 nan 0.000 0.483 408 L N 0.728 122.134 121.223 0.305 0.000 2.292 408 L HA 0.789 5.129 4.340 0.000 0.000 0.284 408 L C -0.493 176.597 176.870 0.367 0.000 1.065 408 L CA -0.558 54.519 54.840 0.396 0.000 0.806 408 L CB 1.480 43.848 42.059 0.516 0.000 1.175 408 L HN 0.425 nan 8.230 nan 0.000 0.431 409 V N 4.914 125.070 119.914 0.403 0.000 2.668 409 V HA 0.429 4.549 4.120 0.000 0.000 0.304 409 V C -0.614 175.835 176.094 0.593 0.000 1.071 409 V CA -0.931 61.594 62.300 0.375 0.000 0.894 409 V CB 1.881 33.643 31.823 -0.102 0.000 1.008 409 V HN 0.727 nan 8.190 nan 0.000 0.425 410 N N 3.796 122.894 118.700 0.663 0.000 2.439 410 N HA 0.428 5.168 4.740 0.000 0.000 0.249 410 N C -1.357 174.537 175.510 0.640 0.000 1.003 410 N CA -0.103 53.340 53.050 0.655 0.000 0.942 410 N CB 1.879 40.702 38.487 0.559 0.000 1.115 410 N HN 0.809 nan 8.380 nan 0.000 0.505 411 Y N 2.179 122.760 120.300 0.469 0.000 2.524 411 Y HA 0.209 4.759 4.550 0.000 0.000 0.347 411 Y C -0.645 175.486 175.900 0.385 0.000 1.005 411 Y CA -0.695 57.695 58.100 0.482 0.000 1.025 411 Y CB 1.506 40.316 38.460 0.583 0.000 1.275 411 Y HN 0.472 nan 8.280 nan 0.000 0.460 412 Y N 3.243 123.471 120.300 -0.120 0.000 2.740 412 Y HA 0.305 4.855 4.550 0.000 0.000 0.257 412 Y C -0.324 175.335 175.900 -0.403 0.000 1.064 412 Y CA 0.708 58.728 58.100 -0.132 0.000 1.351 412 Y CB 0.490 38.864 38.460 -0.144 0.000 1.439 412 Y HN 0.762 nan 8.280 nan 0.000 0.488 413 N N -1.969 116.463 118.700 -0.448 0.000 2.972 413 N HA 0.108 4.848 4.740 0.000 0.000 0.262 413 N C 0.344 175.643 175.510 -0.351 0.000 1.478 413 N CA 0.166 52.963 53.050 -0.422 0.000 0.841 413 N CB 0.473 38.966 38.487 0.010 0.000 1.512 413 N HN 0.101 nan 8.380 nan 0.000 0.548 414 T N -2.958 111.647 114.554 0.084 0.000 2.946 414 T HA -0.098 4.252 4.350 0.000 0.000 0.271 414 T C 0.547 175.524 174.700 0.463 0.000 1.104 414 T CA 1.450 63.784 62.100 0.390 0.000 1.114 414 T CB -0.407 68.647 68.868 0.311 0.000 0.867 414 T HN 0.653 nan 8.240 nan 0.000 0.513 415 E N 0.659 120.958 120.200 0.165 0.000 2.476 415 E HA 0.181 4.531 4.350 0.000 0.000 0.199 415 E C -0.116 176.396 176.600 -0.147 0.000 1.021 415 E CA -0.169 56.279 56.400 0.080 0.000 0.907 415 E CB 0.346 29.998 29.700 -0.081 0.000 0.974 415 E HN 0.492 nan 8.360 nan 0.000 0.489 416 N N 1.468 120.092 118.700 -0.128 0.000 2.549 416 N HA 0.183 4.923 4.740 0.000 0.000 0.281 416 N C -1.256 174.242 175.510 -0.020 0.000 1.084 416 N CA -0.283 52.663 53.050 -0.174 0.000 0.862 416 N CB 1.415 39.851 38.487 -0.084 0.000 1.333 416 N HN 0.138 nan 8.380 nan 0.000 0.523 417 W N 0.230 121.547 121.300 0.028 0.000 2.986 417 W HA 0.374 5.034 4.660 0.000 0.000 0.345 417 W C -1.489 175.149 176.519 0.198 0.000 1.191 417 W CA -0.881 56.552 57.345 0.148 0.000 1.170 417 W CB 0.532 30.145 29.460 0.256 0.000 1.438 417 W HN 0.223 nan 8.180 nan 0.000 0.567 418 T N -0.509 114.504 114.554 0.766 0.000 2.912 418 T HA 0.783 5.133 4.350 0.000 0.000 0.299 418 T C -1.045 174.068 174.700 0.688 0.000 1.052 418 T CA -0.472 62.032 62.100 0.674 0.000 0.996 418 T CB 1.933 71.186 68.868 0.640 0.000 1.070 418 T HN 1.243 nan 8.240 nan 0.000 0.465 419 A N 2.472 125.589 122.820 0.495 0.000 2.427 419 A HA 0.731 5.051 4.320 0.000 0.000 0.298 419 A C -1.317 176.274 177.584 0.012 0.000 1.036 419 A CA -0.812 51.367 52.037 0.238 0.000 0.701 419 A CB 1.582 20.665 19.000 0.138 0.000 1.250 419 A HN 0.935 nan 8.150 nan 0.000 0.412 420 L N 2.349 123.489 121.223 -0.139 0.000 2.283 420 L HA 0.541 4.881 4.340 0.000 0.000 0.281 420 L C -0.242 176.622 176.870 -0.011 0.000 1.033 420 L CA 0.380 55.101 54.840 -0.198 0.000 0.848 420 L CB 0.676 42.477 42.059 -0.430 0.000 1.226 420 L HN 0.779 nan 8.230 nan 0.000 0.429 421 Q N 2.849 122.658 119.800 0.016 0.000 2.387 421 Q HA 0.621 4.961 4.340 0.000 0.000 0.273 421 Q C -1.086 174.958 176.000 0.073 0.000 1.089 421 Q CA -1.071 54.759 55.803 0.045 0.000 0.824 421 Q CB 2.908 31.666 28.738 0.034 0.000 1.367 421 Q HN 0.355 nan 8.270 nan 0.000 0.443 422 V N 1.590 121.567 119.914 0.104 0.000 2.432 422 V HA 0.389 4.509 4.120 0.000 0.000 0.271 422 V C 0.092 176.354 176.094 0.279 0.000 1.046 422 V CA 0.138 62.544 62.300 0.176 0.000 0.945 422 V CB 1.024 32.975 31.823 0.214 0.000 0.992 422 V HN 0.826 nan 8.190 nan 0.000 0.471 423 T N 2.903 117.578 114.554 0.202 0.000 2.716 423 T HA 0.528 4.878 4.350 0.000 0.000 0.286 423 T C -1.363 173.445 174.700 0.179 0.000 1.052 423 T CA -0.559 61.673 62.100 0.220 0.000 1.024 423 T CB 1.653 70.633 68.868 0.187 0.000 1.349 423 T HN 0.865 nan 8.240 nan 0.000 0.525 424 H N 0.468 119.588 119.070 0.084 0.000 2.489 424 H HA 0.645 5.201 4.556 0.000 0.000 0.343 424 H C -1.240 174.144 175.328 0.094 0.000 1.086 424 H CA -0.453 55.630 56.048 0.058 0.000 1.198 424 H CB 1.345 31.122 29.762 0.025 0.000 1.490 424 H HN 0.585 nan 8.280 nan 0.000 0.504 425 D N 2.781 122.837 120.400 -0.574 0.000 2.256 425 D HA 0.138 4.778 4.640 0.000 0.000 0.246 425 D C 0.482 176.389 176.300 -0.655 0.000 1.042 425 D CA -0.482 53.273 54.000 -0.408 0.000 0.841 425 D CB 1.595 42.273 40.800 -0.203 0.000 1.223 425 D HN 0.695 nan 8.370 nan 0.000 0.470 426 E N 1.288 121.314 120.200 -0.289 0.000 2.118 426 E HA -0.165 4.185 4.350 0.000 0.000 0.195 426 E C 1.176 177.721 176.600 -0.093 0.000 0.992 426 E CA 1.225 57.564 56.400 -0.101 0.000 0.804 426 E CB 0.184 29.886 29.700 0.004 0.000 0.741 426 E HN 0.480 nan 8.360 nan 0.000 0.458 427 E N -0.232 119.904 120.200 -0.106 0.000 2.166 427 E HA 0.055 4.405 4.350 0.000 0.000 0.192 427 E C 2.040 178.596 176.600 -0.073 0.000 0.967 427 E CA 0.534 56.893 56.400 -0.069 0.000 0.840 427 E CB 0.120 29.787 29.700 -0.055 0.000 0.795 427 E HN 0.299 nan 8.360 nan 0.000 0.470 428 L N -0.222 120.938 121.223 -0.104 0.000 2.513 428 L HA 0.217 4.557 4.340 0.000 0.000 0.222 428 L C 1.344 178.157 176.870 -0.094 0.000 1.096 428 L CA 0.363 55.153 54.840 -0.083 0.000 0.857 428 L CB -0.147 41.872 42.059 -0.068 0.000 1.026 428 L HN 0.160 nan 8.230 nan 0.000 0.469 429 G N 0.826 109.522 108.800 -0.174 0.000 2.498 429 G HA2 -0.259 3.701 3.960 0.000 0.000 0.245 429 G HA3 -0.259 3.701 3.960 0.000 0.000 0.245 429 G C -0.154 174.692 174.900 -0.091 0.000 1.204 429 G CA -0.522 44.509 45.100 -0.114 0.000 0.933 429 G HN 0.197 nan 8.290 nan 0.000 0.574 430 R N 0.806 121.315 120.500 0.014 0.000 2.449 430 R HA 0.458 4.798 4.340 0.000 0.000 0.296 430 R C 0.594 176.889 176.300 -0.008 0.000 1.047 430 R CA 0.967 57.080 56.100 0.023 0.000 1.018 430 R CB -0.119 30.190 30.300 0.016 0.000 0.962 430 R HN 0.737 nan 8.270 nan 0.000 0.428 431 I N -0.577 120.001 120.570 0.012 0.000 2.969 431 I HA 0.427 4.597 4.170 0.000 0.000 0.307 431 I C -1.309 174.827 176.117 0.031 0.000 1.149 431 I CA -1.468 59.839 61.300 0.010 0.000 1.008 431 I CB 1.829 39.824 38.000 -0.009 0.000 1.232 431 I HN 0.276 nan 8.210 nan 0.000 0.435 432 L N 3.156 124.381 121.223 0.003 0.000 2.262 432 L HA 0.551 4.891 4.340 0.000 0.000 0.288 432 L C -0.409 176.434 176.870 -0.045 0.000 1.035 432 L CA 0.236 55.062 54.840 -0.024 0.000 0.820 432 L CB 0.784 42.771 42.059 -0.121 0.000 1.204 432 L HN 0.745 nan 8.230 nan 0.000 0.424 433 E N 3.663 123.863 120.200 -0.001 0.000 2.207 433 E HA 0.545 4.895 4.350 0.000 0.000 0.270 433 E C -1.673 174.931 176.600 0.006 0.000 0.927 433 E CA -0.616 55.790 56.400 0.010 0.000 0.799 433 E CB 1.654 31.383 29.700 0.048 0.000 1.172 433 E HN 0.522 nan 8.360 nan 0.000 0.404 434 L N 3.410 124.640 121.223 0.011 0.000 2.298 434 L HA 0.573 4.913 4.340 0.000 0.000 0.284 434 L C -1.121 175.805 176.870 0.092 0.000 1.013 434 L CA 0.046 54.895 54.840 0.015 0.000 0.824 434 L CB 1.631 43.686 42.059 -0.007 0.000 1.221 434 L HN 0.540 nan 8.230 nan 0.000 0.418 435 T N 6.347 121.006 114.554 0.176 0.000 2.829 435 T HA 0.659 5.009 4.350 0.000 0.000 0.280 435 T C -0.286 174.577 174.700 0.271 0.000 0.999 435 T CA -0.214 62.043 62.100 0.262 0.000 0.983 435 T CB 1.134 70.249 68.868 0.413 0.000 0.968 435 T HN 0.433 nan 8.240 nan 0.000 0.446 436 I N 1.609 122.222 120.570 0.073 0.000 2.509 436 I HA 0.459 4.629 4.170 0.000 0.000 0.293 436 I C -0.448 175.381 176.117 -0.479 0.000 1.020 436 I CA -0.807 60.418 61.300 -0.125 0.000 1.088 436 I CB 1.852 39.817 38.000 -0.059 0.000 1.267 436 I HN 0.604 nan 8.210 nan 0.000 0.430 437 C N 4.957 123.708 119.300 -0.916 0.000 2.335 437 C HA 0.376 4.836 4.460 0.000 0.000 0.318 437 C C -0.539 174.023 174.990 -0.714 0.000 1.150 437 C CA -0.419 57.880 59.018 -1.198 0.000 1.466 437 C CB -0.257 26.270 27.740 -2.021 0.000 2.024 437 C HN 0.705 nan 8.230 nan 0.000 0.429 438 D N 4.528 124.651 120.400 -0.462 0.000 2.467 438 D HA 0.210 4.850 4.640 0.000 0.000 0.220 438 D C 0.438 176.644 176.300 -0.156 0.000 1.103 438 D CA 0.472 54.344 54.000 -0.212 0.000 0.886 438 D CB 0.124 40.854 40.800 -0.117 0.000 1.025 438 D HN 0.649 nan 8.370 nan 0.000 0.514 439 N N 3.878 122.507 118.700 -0.117 0.000 2.725 439 N HA -0.277 4.463 4.740 0.000 0.000 0.251 439 N C -0.133 175.367 175.510 -0.016 0.000 1.031 439 N CA 0.424 53.421 53.050 -0.087 0.000 0.720 439 N CB -1.012 37.402 38.487 -0.122 0.000 0.930 439 N HN 0.552 nan 8.380 nan 0.000 0.543 440 F N -2.000 117.728 119.950 -0.369 0.000 2.884 440 F HA -0.277 4.250 4.527 0.000 0.000 0.294 440 F C 0.569 176.109 175.800 -0.433 0.000 0.723 440 F CA 1.007 58.754 58.000 -0.422 0.000 1.294 440 F CB -1.686 37.246 39.000 -0.112 0.000 1.551 440 F HN 0.165 nan 8.300 nan 0.000 0.363 441 S N 1.102 116.572 115.700 -0.383 0.000 2.423 441 S HA 0.627 5.097 4.470 0.000 0.000 0.317 441 S C -0.087 174.281 174.600 -0.386 0.000 1.065 441 S CA -0.348 57.707 58.200 -0.243 0.000 1.111 441 S CB 0.069 63.198 63.200 -0.118 0.000 0.968 441 S HN 0.126 nan 8.310 nan 0.000 0.474 442 F N 3.255 123.096 119.950 -0.183 0.000 2.375 442 F HA 0.588 5.115 4.527 0.000 0.000 0.333 442 F C 1.077 176.814 175.800 -0.106 0.000 1.104 442 F CA -0.183 57.712 58.000 -0.175 0.000 1.149 442 F CB 1.487 40.388 39.000 -0.164 0.000 1.190 442 F HN 0.592 nan 8.300 nan 0.000 0.533 443 S N 1.299 117.052 115.700 0.089 0.000 2.567 443 S HA 0.507 4.978 4.470 0.000 0.000 0.270 443 S C -1.352 173.289 174.600 0.068 0.000 1.152 443 S CA -1.110 57.123 58.200 0.055 0.000 0.835 443 S CB 1.869 65.074 63.200 0.008 0.000 1.115 443 S HN 0.634 nan 8.310 nan 0.000 0.459 444 Q N 1.276 121.110 119.800 0.057 0.000 3.484 444 Q HA 0.308 4.648 4.340 0.000 0.000 0.255 444 Q C -2.016 174.005 176.000 0.035 0.000 0.909 444 Q CA -1.670 54.167 55.803 0.058 0.000 0.774 444 Q CB 1.487 30.263 28.738 0.064 0.000 1.431 444 Q HN 0.643 nan 8.270 nan 0.000 0.423 445 P HA -0.160 nan 4.420 nan 0.000 0.221 445 P C 0.082 177.395 177.300 0.020 0.000 1.145 445 P CA 0.746 63.858 63.100 0.020 0.000 0.795 445 P CB 0.423 32.133 31.700 0.017 0.000 0.775 446 L N 1.425 122.662 121.223 0.023 0.000 2.485 446 L HA 0.092 4.432 4.340 0.000 0.000 0.279 446 L C 1.723 178.601 176.870 0.015 0.000 1.124 446 L CA -0.326 54.526 54.840 0.020 0.000 0.888 446 L CB -0.160 41.909 42.059 0.017 0.000 1.217 446 L HN -0.087 nan 8.230 nan 0.000 0.464 447 N N 2.382 121.090 118.700 0.014 0.000 2.171 447 N HA -0.096 4.644 4.740 0.000 0.000 0.184 447 N C 0.195 175.710 175.510 0.008 0.000 1.021 447 N CA 1.071 54.127 53.050 0.009 0.000 0.854 447 N CB 0.027 38.519 38.487 0.010 0.000 0.994 447 N HN 0.610 nan 8.380 nan 0.000 0.426 448 N N 1.783 120.491 118.700 0.014 0.000 2.437 448 N HA 0.082 4.822 4.740 0.000 0.000 0.243 448 N C -0.591 174.926 175.510 0.012 0.000 1.041 448 N CA -0.378 52.681 53.050 0.014 0.000 0.940 448 N CB 0.849 39.350 38.487 0.023 0.000 1.133 448 N HN -0.103 nan 8.380 nan 0.000 0.506 449 K N 2.023 122.425 120.400 0.004 0.000 2.401 449 K HA 0.159 4.479 4.320 0.000 0.000 0.278 449 K C 0.191 176.791 176.600 0.000 0.000 1.018 449 K CA 0.032 56.317 56.287 -0.003 0.000 0.981 449 K CB 0.903 33.396 32.500 -0.011 0.000 0.933 449 K HN 0.514 nan 8.250 nan 0.000 0.477 450 I N 3.395 123.953 120.570 -0.019 0.000 2.347 450 I HA 0.002 4.172 4.170 0.000 0.000 0.294 450 I C 0.047 176.180 176.117 0.026 0.000 1.090 450 I CA -0.645 60.645 61.300 -0.017 0.000 1.314 450 I CB 0.466 38.362 38.000 -0.174 0.000 1.423 450 I HN 0.048 nan 8.210 nan 0.000 0.503 451 V N 7.860 127.809 119.914 0.059 0.000 2.530 451 V HA 0.261 4.381 4.120 0.000 0.000 0.282 451 V C 0.380 176.498 176.094 0.039 0.000 1.048 451 V CA -0.311 62.010 62.300 0.035 0.000 0.997 451 V CB 1.199 33.032 31.823 0.016 0.000 0.987 451 V HN 0.459 nan 8.190 nan 0.000 0.477 452 I N 6.683 127.214 120.570 -0.066 0.000 2.321 452 I HA 0.345 4.515 4.170 0.000 0.000 0.291 452 I C -2.210 173.735 176.117 -0.288 0.000 0.998 452 I CA -1.901 59.206 61.300 -0.320 0.000 1.227 452 I CB 1.623 39.477 38.000 -0.245 0.000 1.368 452 I HN 0.426 nan 8.210 nan 0.000 0.466 453 P HA 0.120 nan 4.420 nan 0.000 0.267 453 P C 0.391 177.602 177.300 -0.148 0.000 1.200 453 P CA -0.168 62.814 63.100 -0.197 0.000 0.772 453 P CB 0.579 32.169 31.700 -0.184 0.000 0.855 454 R N 2.211 122.669 120.500 -0.071 0.000 2.120 454 R HA -0.137 4.203 4.340 0.000 0.000 0.234 454 R C 1.709 178.000 176.300 -0.014 0.000 1.123 454 R CA 1.200 57.282 56.100 -0.030 0.000 0.975 454 R CB -0.282 30.005 30.300 -0.022 0.000 0.866 454 R HN 0.634 nan 8.270 nan 0.000 0.446 455 E N 1.089 121.274 120.200 -0.027 0.000 2.482 455 E HA -0.036 4.314 4.350 0.000 0.000 0.196 455 E C 0.155 176.759 176.600 0.005 0.000 1.047 455 E CA 0.321 56.718 56.400 -0.005 0.000 0.869 455 E CB 0.007 29.709 29.700 0.002 0.000 0.836 455 E HN 0.006 nan 8.360 nan 0.000 0.520 456 V N 2.978 122.869 119.914 -0.038 0.000 2.446 456 V HA -0.006 4.114 4.120 0.000 0.000 0.276 456 V C 1.548 177.634 176.094 -0.014 0.000 1.030 456 V CA 0.281 62.559 62.300 -0.036 0.000 1.033 456 V CB 0.873 32.580 31.823 -0.194 0.000 0.993 456 V HN 0.191 nan 8.190 nan 0.000 0.477 457 K N 4.227 124.626 120.400 -0.002 0.000 2.044 457 K HA 0.026 4.346 4.320 0.000 0.000 0.204 457 K C -0.228 176.158 176.600 -0.356 0.000 1.045 457 K CA 0.846 57.045 56.287 -0.146 0.000 0.951 457 K CB 0.175 32.579 32.500 -0.159 0.000 0.738 457 K HN 0.568 nan 8.250 nan 0.000 0.443 458 Y N 0.196 120.480 120.300 -0.026 0.000 2.364 458 Y HA 0.317 4.867 4.550 0.000 0.000 0.340 458 Y C -0.789 174.997 175.900 -0.191 0.000 0.975 458 Y CA -1.075 56.911 58.100 -0.190 0.000 1.089 458 Y CB 2.116 40.374 38.460 -0.338 0.000 1.192 458 Y HN -0.303 nan 8.280 nan 0.000 0.454 459 V N 4.840 124.756 119.914 0.004 0.000 2.311 459 V HA 0.231 4.351 4.120 0.000 0.000 0.275 459 V C -0.864 175.278 176.094 0.081 0.000 1.022 459 V CA -1.161 61.245 62.300 0.177 0.000 0.830 459 V CB -0.339 31.622 31.823 0.231 0.000 1.012 459 V HN 0.568 nan 8.190 nan 0.000 0.452 460 Y N 5.479 125.936 120.300 0.260 0.000 2.402 460 Y HA 0.505 5.055 4.550 0.000 0.000 0.333 460 Y C 0.269 176.422 175.900 0.422 0.000 1.076 460 Y CA -0.272 57.980 58.100 0.253 0.000 1.299 460 Y CB 0.560 39.031 38.460 0.018 0.000 1.197 460 Y HN 0.433 nan 8.280 nan 0.000 0.517 461 L N 5.081 126.672 121.223 0.613 0.000 2.362 461 L HA 0.677 5.017 4.340 0.000 0.000 0.275 461 L C -0.263 176.988 176.870 0.635 0.000 0.998 461 L CA -0.805 54.416 54.840 0.636 0.000 0.820 461 L CB 2.135 44.478 42.059 0.474 0.000 1.270 461 L HN 0.592 nan 8.230 nan 0.000 0.415 462 R N 1.794 122.676 120.500 0.636 0.000 2.771 462 R HA 0.843 5.183 4.340 0.000 0.000 0.274 462 R C -2.019 174.538 176.300 0.428 0.000 0.987 462 R CA -0.640 55.672 56.100 0.354 0.000 0.908 462 R CB 2.925 33.151 30.300 -0.123 0.000 1.213 462 R HN 0.392 nan 8.270 nan 0.000 0.468 463 V N 2.950 122.999 119.914 0.225 0.000 2.733 463 V HA 0.472 4.592 4.120 0.000 0.000 0.306 463 V C -1.784 174.275 176.094 -0.057 0.000 1.084 463 V CA -0.747 61.620 62.300 0.112 0.000 0.905 463 V CB 2.180 33.986 31.823 -0.028 0.000 1.010 463 V HN 0.845 nan 8.190 nan 0.000 0.424 464 N N 5.758 124.469 118.700 0.018 0.000 2.476 464 N HA 0.596 5.336 4.740 0.000 0.000 0.257 464 N C -0.993 174.389 175.510 -0.213 0.000 0.970 464 N CA -0.290 52.688 53.050 -0.120 0.000 0.938 464 N CB 1.501 40.027 38.487 0.065 0.000 1.144 464 N HN 0.525 nan 8.380 nan 0.000 0.500 465 I N 1.691 121.866 120.570 -0.659 0.000 2.352 465 I HA 0.125 4.295 4.170 0.000 0.000 0.290 465 I C 0.291 176.167 176.117 -0.402 0.000 1.036 465 I CA -0.127 60.747 61.300 -0.710 0.000 1.336 465 I CB 0.552 37.625 38.000 -1.546 0.000 1.407 465 I HN 0.419 nan 8.210 nan 0.000 0.497 466 E N 7.170 127.259 120.200 -0.186 0.000 3.037 466 E HA 0.251 4.601 4.350 0.000 0.000 0.220 466 E C 0.390 176.910 176.600 -0.134 0.000 1.142 466 E CA -0.367 55.981 56.400 -0.086 0.000 0.888 466 E CB 0.799 30.569 29.700 0.116 0.000 1.329 466 E HN 0.555 nan 8.360 nan 0.000 0.409 467 K N 1.586 121.769 120.400 -0.363 0.000 6.935 467 K HA -0.305 4.015 4.320 0.000 0.000 0.336 467 K C 0.870 177.436 176.600 -0.056 0.000 0.625 467 K CA 2.439 58.586 56.287 -0.233 0.000 1.145 467 K CB -1.163 31.281 32.500 -0.094 0.000 0.792 467 K HN 0.525 nan 8.250 nan 0.000 0.936 468 D N 1.653 122.044 120.400 -0.015 0.000 2.347 468 D HA 0.046 4.686 4.640 0.000 0.000 0.213 468 D C 0.037 176.321 176.300 -0.026 0.000 0.985 468 D CA 0.913 54.911 54.000 -0.004 0.000 0.879 468 D CB 0.199 41.000 40.800 0.001 0.000 0.919 468 D HN 0.339 nan 8.370 nan 0.000 0.526 469 K N -0.481 119.890 120.400 -0.048 0.000 2.482 469 K HA 0.459 4.779 4.320 0.000 0.000 0.257 469 K C -1.374 175.103 176.600 -0.205 0.000 0.969 469 K CA -0.994 55.182 56.287 -0.185 0.000 0.842 469 K CB 2.417 34.742 32.500 -0.291 0.000 1.359 469 K HN 0.062 nan 8.250 nan 0.000 0.441 470 Y N -1.391 118.578 120.300 -0.551 0.000 2.534 470 Y HA 0.626 5.176 4.550 0.000 0.000 0.345 470 Y C -1.601 173.882 175.900 -0.695 0.000 1.031 470 Y CA -1.250 56.546 58.100 -0.506 0.000 1.022 470 Y CB 1.050 39.313 38.460 -0.329 0.000 1.292 470 Y HN 0.465 nan 8.280 nan 0.000 0.459 471 Y N 1.066 121.338 120.300 -0.047 0.000 2.499 471 Y HA 0.564 5.114 4.550 0.000 0.000 0.347 471 Y C -1.173 174.670 175.900 -0.095 0.000 0.987 471 Y CA -1.435 56.581 58.100 -0.139 0.000 1.044 471 Y CB 1.650 40.003 38.460 -0.177 0.000 1.245 471 Y HN 0.606 nan 8.280 nan 0.000 0.461 472 Y N 1.453 121.806 120.300 0.090 0.000 2.352 472 Y HA 0.565 5.116 4.550 0.000 0.000 0.326 472 Y C -0.806 175.071 175.900 -0.038 0.000 1.166 472 Y CA -0.924 57.283 58.100 0.178 0.000 1.182 472 Y CB 0.946 39.536 38.460 0.216 0.000 1.216 472 Y HN 0.425 nan 8.280 nan 0.000 0.474 473 F N 2.004 122.246 119.950 0.487 0.000 2.588 473 F HA 0.549 5.076 4.527 0.000 0.000 0.314 473 F C -0.920 175.293 175.800 0.688 0.000 1.069 473 F CA -1.255 57.012 58.000 0.446 0.000 0.931 473 F CB 1.849 40.964 39.000 0.191 0.000 1.260 473 F HN 0.413 nan 8.300 nan 0.000 0.465 474 Y N -0.694 120.043 120.300 0.729 0.000 2.597 474 Y HA 0.820 5.370 4.550 0.000 0.000 0.340 474 Y C -1.022 174.979 175.900 0.169 0.000 1.097 474 Y CA -1.250 57.141 58.100 0.484 0.000 1.037 474 Y CB 1.930 40.531 38.460 0.235 0.000 1.305 474 Y HN 0.572 nan 8.280 nan 0.000 0.463 475 S N 0.788 116.452 115.700 -0.060 0.000 2.547 475 S HA 0.595 5.065 4.470 0.000 0.000 0.270 475 S C -1.507 173.112 174.600 0.033 0.000 1.150 475 S CA -0.620 57.334 58.200 -0.410 0.000 0.850 475 S CB 0.683 63.185 63.200 -1.162 0.000 1.118 475 S HN 0.605 nan 8.310 nan 0.000 0.461 476 F N 2.505 122.554 119.950 0.167 0.000 2.682 476 F HA 0.388 4.915 4.527 0.000 0.000 0.308 476 F C 1.336 177.269 175.800 0.223 0.000 1.093 476 F CA -0.445 57.697 58.000 0.237 0.000 1.244 476 F CB 0.130 39.244 39.000 0.190 0.000 1.052 476 F HN 0.665 nan 8.300 nan 0.000 0.573 477 N N -0.308 118.523 118.700 0.218 0.000 2.261 477 N HA -0.014 4.726 4.740 0.000 0.000 0.241 477 N C -0.107 175.285 175.510 -0.196 0.000 1.374 477 N CA -0.008 53.104 53.050 0.103 0.000 0.802 477 N CB -0.605 37.938 38.487 0.093 0.000 1.339 477 N HN 0.162 nan 8.380 nan 0.000 0.498 478 K N -0.053 119.945 120.400 -0.671 0.000 3.213 478 K HA -0.288 4.033 4.320 0.000 0.000 0.266 478 K C -0.417 175.928 176.600 -0.425 0.000 0.911 478 K CA 1.920 57.691 56.287 -0.860 0.000 0.684 478 K CB -1.378 30.492 32.500 -1.049 0.000 1.402 478 K HN 0.402 nan 8.250 nan 0.000 0.465 479 E N -0.063 119.899 120.200 -0.396 0.000 3.777 479 E HA 0.035 4.385 4.350 0.000 0.000 0.247 479 E C -0.785 175.685 176.600 -0.216 0.000 1.256 479 E CA 0.027 56.307 56.400 -0.200 0.000 1.786 479 E CB 0.178 29.808 29.700 -0.116 0.000 1.722 479 E HN 0.499 nan 8.360 nan 0.000 0.810 480 D N 1.277 121.505 120.400 -0.286 0.000 2.365 480 D HA 0.174 4.814 4.640 0.000 0.000 0.237 480 D C -0.569 175.408 176.300 -0.538 0.000 1.190 480 D CA 0.052 53.863 54.000 -0.315 0.000 0.867 480 D CB 0.124 40.787 40.800 -0.229 0.000 1.050 480 D HN -0.022 nan 8.370 nan 0.000 0.491 481 W N 1.336 122.418 121.300 -0.363 0.000 2.381 481 W HA 0.223 4.883 4.660 0.000 0.000 0.329 481 W C 0.932 177.120 176.519 -0.552 0.000 1.157 481 W CA -0.474 56.669 57.345 -0.336 0.000 1.240 481 W CB 1.025 30.397 29.460 -0.146 0.000 1.199 481 W HN 0.191 nan 8.180 nan 0.000 0.579 482 H N 2.096 121.114 119.070 -0.086 0.000 2.547 482 H HA 0.223 4.779 4.556 0.000 0.000 0.342 482 H C -0.631 174.643 175.328 -0.090 0.000 1.048 482 H CA -1.062 54.821 56.048 -0.276 0.000 1.204 482 H CB 1.957 31.209 29.762 -0.850 0.000 1.493 482 H HN 0.269 nan 8.280 nan 0.000 0.511 483 K N 4.073 124.524 120.400 0.085 0.000 2.234 483 K HA 0.276 4.596 4.320 0.000 0.000 0.282 483 K C -0.219 176.361 176.600 -0.034 0.000 1.039 483 K CA -0.564 55.613 56.287 -0.184 0.000 0.928 483 K CB 0.598 32.931 32.500 -0.277 0.000 1.039 483 K HN 0.538 nan 8.250 nan 0.000 0.470 484 I N 4.299 124.857 120.570 -0.021 0.000 2.278 484 I HA -0.038 4.132 4.170 0.000 0.000 0.296 484 I C 0.112 176.254 176.117 0.042 0.000 1.121 484 I CA -0.245 61.116 61.300 0.102 0.000 1.267 484 I CB 0.434 38.538 38.000 0.172 0.000 1.447 484 I HN 0.628 nan 8.210 nan 0.000 0.509 485 D N 7.830 128.255 120.400 0.041 0.000 2.685 485 D HA 0.097 4.737 4.640 0.000 0.000 0.230 485 D C -0.347 175.987 176.300 0.057 0.000 1.098 485 D CA 0.821 54.844 54.000 0.039 0.000 1.246 485 D CB -0.300 40.519 40.800 0.033 0.000 1.136 485 D HN 0.322 nan 8.370 nan 0.000 0.472 486 I N 1.069 121.685 120.570 0.078 0.000 2.563 486 I HA 0.256 4.426 4.170 0.000 0.000 0.285 486 I C -0.311 175.797 176.117 -0.015 0.000 1.123 486 I CA -1.040 60.280 61.300 0.034 0.000 1.059 486 I CB 1.917 39.928 38.000 0.019 0.000 1.229 486 I HN 0.034 nan 8.210 nan 0.000 0.442 487 A N 8.162 130.955 122.820 -0.046 0.000 2.671 487 A HA 0.516 4.836 4.320 0.000 0.000 0.306 487 A C -0.033 177.307 177.584 -0.408 0.000 1.473 487 A CA -0.162 51.715 52.037 -0.265 0.000 1.155 487 A CB -0.352 18.615 19.000 -0.056 0.000 1.123 487 A HN 0.683 nan 8.150 nan 0.000 0.545 488 L N 1.945 122.784 121.223 -0.640 0.000 2.426 488 L HA 0.144 4.484 4.340 0.000 0.000 0.271 488 L C 0.550 177.035 176.870 -0.641 0.000 1.169 488 L CA 0.070 54.483 54.840 -0.711 0.000 0.836 488 L CB 0.654 42.002 42.059 -1.186 0.000 1.112 488 L HN 0.630 nan 8.230 nan 0.000 0.465 489 E N 1.471 121.453 120.200 -0.363 0.000 2.167 489 E HA 0.117 4.467 4.350 0.000 0.000 0.284 489 E C 0.350 176.938 176.600 -0.021 0.000 1.016 489 E CA -0.311 55.962 56.400 -0.213 0.000 0.817 489 E CB 1.330 30.875 29.700 -0.258 0.000 1.080 489 E HN 0.547 nan 8.360 nan 0.000 0.397 490 S N 3.156 118.926 115.700 0.117 0.000 2.447 490 S HA -0.177 4.293 4.470 0.000 0.000 0.233 490 S C 1.686 176.260 174.600 -0.043 0.000 1.006 490 S CA 1.090 59.425 58.200 0.226 0.000 0.957 490 S CB -0.098 63.278 63.200 0.293 0.000 0.773 490 S HN 0.530 nan 8.310 nan 0.000 0.507 491 K N 1.780 122.045 120.400 -0.224 0.000 2.283 491 K HA -0.006 4.314 4.320 0.000 0.000 0.202 491 K C 1.424 177.657 176.600 -0.611 0.000 1.048 491 K CA 1.077 57.101 56.287 -0.439 0.000 0.948 491 K CB -0.173 31.807 32.500 -0.867 0.000 0.742 491 K HN 0.153 nan 8.250 nan 0.000 0.458 492 K N 0.721 120.702 120.400 -0.698 0.000 2.504 492 K HA 0.060 4.380 4.320 0.000 0.000 0.195 492 K C 0.597 176.954 176.600 -0.405 0.000 1.036 492 K CA 0.507 56.224 56.287 -0.951 0.000 0.984 492 K CB 0.080 32.130 32.500 -0.749 0.000 0.788 492 K HN 0.235 nan 8.250 nan 0.000 0.488 493 L N 1.308 122.368 121.223 -0.272 0.000 3.141 493 L HA 0.138 4.478 4.340 0.000 0.000 0.263 493 L C -0.070 176.719 176.870 -0.134 0.000 1.312 493 L CA -0.490 54.239 54.840 -0.185 0.000 1.012 493 L CB 0.523 42.419 42.059 -0.272 0.000 1.408 493 L HN 0.006 nan 8.230 nan 0.000 0.559 494 S N -3.786 111.790 115.700 -0.206 0.000 2.638 494 S HA 0.393 4.863 4.470 0.000 0.000 0.302 494 S C 0.340 174.823 174.600 -0.194 0.000 1.096 494 S CA -0.770 57.397 58.200 -0.055 0.000 0.953 494 S CB 2.189 65.447 63.200 0.096 0.000 1.107 494 S HN 0.071 nan 8.310 nan 0.000 0.503 495 D N 1.165 121.596 120.400 0.052 0.000 2.144 495 D HA -0.056 4.584 4.640 0.000 0.000 0.199 495 D C 0.781 177.098 176.300 0.028 0.000 0.984 495 D CA 1.622 55.681 54.000 0.097 0.000 0.834 495 D CB -0.489 40.456 40.800 0.242 0.000 0.955 495 D HN 0.768 nan 8.370 nan 0.000 0.465 496 D N -1.420 119.030 120.400 0.084 0.000 2.363 496 D HA -0.070 4.570 4.640 0.000 0.000 0.220 496 D C 1.282 177.671 176.300 0.149 0.000 0.994 496 D CA 0.343 54.380 54.000 0.061 0.000 0.890 496 D CB 0.045 40.877 40.800 0.054 0.000 0.906 496 D HN 0.283 nan 8.370 nan 0.000 0.530 497 Y N 0.982 121.290 120.300 0.014 0.000 2.539 497 Y HA 0.187 4.737 4.550 0.000 0.000 0.284 497 Y C 0.556 176.356 175.900 -0.167 0.000 1.134 497 Y CA -0.525 57.565 58.100 -0.018 0.000 1.251 497 Y CB 0.259 38.667 38.460 -0.088 0.000 1.260 497 Y HN -0.126 nan 8.280 nan 0.000 0.528 498 I N 1.310 121.772 120.570 -0.179 0.000 2.813 498 I HA 0.187 4.357 4.170 0.000 0.000 0.287 498 I C -0.127 175.829 176.117 -0.269 0.000 1.196 498 I CA -0.408 60.728 61.300 -0.273 0.000 1.421 498 I CB 0.469 38.226 38.000 -0.405 0.000 1.365 498 I HN -0.040 nan 8.210 nan 0.000 0.591 499 R N 4.073 124.432 120.500 -0.235 0.000 2.543 499 R HA 0.804 5.144 4.340 0.000 0.000 0.268 499 R C 0.283 176.504 176.300 -0.132 0.000 1.067 499 R CA -0.093 55.891 56.100 -0.193 0.000 1.142 499 R CB 0.564 30.762 30.300 -0.171 0.000 1.110 499 R HN 1.219 nan 8.270 nan 0.000 0.549 500 G N -0.852 107.891 108.800 -0.095 0.000 2.497 500 G HA2 -0.092 3.868 3.960 0.000 0.000 0.686 500 G HA3 -0.092 3.868 3.960 0.000 0.000 0.686 500 G C 0.476 175.397 174.900 0.035 0.000 1.288 500 G CA -0.385 44.694 45.100 -0.036 0.000 0.899 500 G HN 0.609 nan 8.290 nan 0.000 0.608 501 G N -0.504 108.345 108.800 0.082 0.000 2.572 501 G HA2 0.482 4.442 3.960 0.000 0.000 0.216 501 G HA3 0.482 4.442 3.960 0.000 0.000 0.216 501 G C 0.978 175.930 174.900 0.088 0.000 1.133 501 G CA 1.305 46.514 45.100 0.181 0.000 0.791 501 G HN 1.710 nan 8.290 nan 0.000 0.538 502 G N 0.198 108.944 108.800 -0.089 0.000 2.415 502 G HA2 0.498 4.458 3.960 0.000 0.000 0.317 502 G HA3 0.498 4.458 3.960 0.000 0.000 0.317 502 G C -0.517 174.025 174.900 -0.598 0.000 1.152 502 G CA -0.864 43.912 45.100 -0.540 0.000 0.956 502 G HN 0.406 nan 8.290 nan 0.000 0.458 503 F N 0.563 119.695 119.950 -1.364 0.000 2.541 503 F HA 0.464 4.991 4.527 0.000 0.000 0.368 503 F C -0.856 174.501 175.800 -0.737 0.000 1.530 503 F CA -1.591 55.980 58.000 -0.714 0.000 1.102 503 F CB 0.324 39.044 39.000 -0.467 0.000 1.382 503 F HN 0.187 nan 8.300 nan 0.000 0.541 504 F N 0.275 119.836 119.950 -0.649 0.000 2.698 504 F HA 0.275 4.803 4.527 0.000 0.000 0.304 504 F C 1.494 176.801 175.800 -0.822 0.000 1.108 504 F CA -0.396 57.055 58.000 -0.915 0.000 1.263 504 F CB -0.387 37.627 39.000 -1.644 0.000 1.013 504 F HN 0.290 nan 8.300 nan 0.000 0.532 505 T N -2.212 111.986 114.554 -0.594 0.000 2.507 505 T HA 0.837 5.188 4.350 0.000 0.000 0.180 505 T C 0.759 175.019 174.700 -0.733 0.000 0.681 505 T CA 0.118 61.580 62.100 -1.064 0.000 1.959 505 T CB 0.369 68.562 68.868 -1.124 0.000 2.896 505 T HN 0.224 nan 8.240 nan 0.000 0.391 506 G N -0.227 108.108 108.800 -0.776 0.000 2.321 506 G HA2 0.554 4.514 3.960 0.000 0.000 0.298 506 G HA3 0.554 4.514 3.960 0.000 0.000 0.298 506 G C -1.165 173.619 174.900 -0.194 0.000 1.385 506 G CA -0.540 44.419 45.100 -0.235 0.000 0.856 506 G HN 0.892 nan 8.290 nan 0.000 0.584 507 A N -0.452 122.269 122.820 -0.165 0.000 2.477 507 A HA 0.738 5.058 4.320 0.000 0.000 0.246 507 A C -0.855 176.512 177.584 -0.362 0.000 1.078 507 A CA 0.354 52.132 52.037 -0.432 0.000 0.770 507 A CB 0.003 18.218 19.000 -1.308 0.000 1.011 507 A HN 0.910 nan 8.150 nan 0.000 0.494 508 F N 0.408 120.200 119.950 -0.264 0.000 2.593 508 F HA 0.629 5.156 4.527 0.000 0.000 0.320 508 F C 0.014 176.026 175.800 0.353 0.000 1.060 508 F CA -0.646 57.349 58.000 -0.008 0.000 0.940 508 F CB 2.416 41.344 39.000 -0.120 0.000 1.268 508 F HN 0.426 nan 8.300 nan 0.000 0.475 509 V N 1.574 121.849 119.914 0.601 0.000 2.686 509 V HA 0.956 5.076 4.120 0.000 0.000 0.306 509 V C -0.723 175.689 176.094 0.529 0.000 1.065 509 V CA 0.166 62.893 62.300 0.711 0.000 0.894 509 V CB 1.278 33.590 31.823 0.816 0.000 1.004 509 V HN 0.978 nan 8.190 nan 0.000 0.424 510 G N 5.189 114.336 108.800 0.578 0.000 2.554 510 G HA2 0.527 4.488 3.960 0.000 0.000 0.306 510 G HA3 0.527 4.488 3.960 0.000 0.000 0.306 510 G C -1.623 173.470 174.900 0.322 0.000 1.320 510 G CA -1.013 44.247 45.100 0.265 0.000 0.800 510 G HN 0.731 nan 8.290 nan 0.000 0.481 511 M N 1.089 120.633 119.600 -0.094 0.000 2.264 511 M HA 0.561 5.042 4.480 0.000 0.000 0.352 511 M C -0.167 176.017 176.300 -0.194 0.000 1.173 511 M CA -0.434 54.597 55.300 -0.449 0.000 1.075 511 M CB 1.964 33.736 32.600 -1.380 0.000 1.621 511 M HN 0.515 nan 8.290 nan 0.000 0.457 512 Q N 1.928 121.656 119.800 -0.121 0.000 2.456 512 Q HA 0.646 4.986 4.340 0.000 0.000 0.284 512 Q C -2.140 173.874 176.000 0.023 0.000 1.061 512 Q CA -0.596 55.176 55.803 -0.052 0.000 0.799 512 Q CB 3.066 31.581 28.738 -0.372 0.000 1.445 512 Q HN 0.957 nan 8.270 nan 0.000 0.411 513 C N 3.095 122.387 119.300 -0.013 0.000 2.752 513 C HA 0.593 5.053 4.460 0.000 0.000 0.360 513 C C -1.617 173.377 174.990 0.007 0.000 1.081 513 C CA -0.176 58.807 59.018 -0.058 0.000 1.272 513 C CB 1.462 29.180 27.740 -0.037 0.000 1.754 513 C HN 0.886 nan 8.230 nan 0.000 0.483 514 Q N 3.342 123.143 119.800 0.001 0.000 2.375 514 Q HA 0.699 5.039 4.340 0.000 0.000 0.271 514 Q C -1.718 174.336 176.000 0.091 0.000 1.074 514 Q CA -0.435 55.400 55.803 0.053 0.000 0.808 514 Q CB 2.582 31.322 28.738 0.004 0.000 1.327 514 Q HN 0.591 nan 8.270 nan 0.000 0.441 515 D N 2.453 122.898 120.400 0.076 0.000 2.330 515 D HA 0.104 4.744 4.640 0.000 0.000 0.249 515 D C -0.127 176.145 176.300 -0.046 0.000 1.306 515 D CA -0.285 53.730 54.000 0.026 0.000 0.956 515 D CB 1.421 42.245 40.800 0.040 0.000 1.261 515 D HN 0.710 nan 8.370 nan 0.000 0.544 516 T N -0.595 113.921 114.554 -0.063 0.000 3.219 516 T HA 0.233 4.583 4.350 0.000 0.000 0.249 516 T C 1.478 176.093 174.700 -0.142 0.000 1.099 516 T CA 0.284 62.335 62.100 -0.082 0.000 0.988 516 T CB 0.423 69.260 68.868 -0.053 0.000 0.999 516 T HN 0.238 nan 8.240 nan 0.000 0.550 517 G N 0.518 109.213 108.800 -0.175 0.000 2.656 517 G HA2 0.450 4.410 3.960 0.000 0.000 0.211 517 G HA3 0.450 4.410 3.960 0.000 0.000 0.211 517 G C 1.233 176.012 174.900 -0.202 0.000 1.137 517 G CA 0.077 45.058 45.100 -0.199 0.000 0.802 517 G HN 1.057 nan 8.290 nan 0.000 0.527 518 G N 0.005 108.648 108.800 -0.262 0.000 2.201 518 G HA2 -0.248 3.712 3.960 0.000 0.000 0.212 518 G HA3 -0.248 3.712 3.960 0.000 0.000 0.212 518 G C 0.853 175.471 174.900 -0.470 0.000 0.994 518 G CA 0.442 45.316 45.100 -0.377 0.000 0.644 518 G HN 0.465 nan 8.290 nan 0.000 0.508 519 N N 0.654 119.164 118.700 -0.317 0.000 2.463 519 N HA 0.130 4.871 4.740 0.000 0.000 0.181 519 N C 0.782 176.214 175.510 -0.129 0.000 1.078 519 N CA 0.299 53.222 53.050 -0.211 0.000 0.902 519 N CB -0.098 38.314 38.487 -0.124 0.000 0.970 519 N HN 0.443 nan 8.380 nan 0.000 0.451 520 H N -0.328 118.685 119.070 -0.094 0.000 2.692 520 H HA -0.182 4.374 4.556 0.000 0.000 0.316 520 H C 0.052 175.447 175.328 0.111 0.000 1.176 520 H CA 0.370 56.373 56.048 -0.074 0.000 1.142 520 H CB -1.858 27.796 29.762 -0.180 0.000 1.475 520 H HN 0.406 nan 8.280 nan 0.000 0.423 521 I N 2.543 123.239 120.570 0.210 0.000 2.668 521 I HA 0.045 4.215 4.170 0.000 0.000 0.285 521 I C -1.572 174.766 176.117 0.369 0.000 1.168 521 I CA -1.105 60.339 61.300 0.241 0.000 1.424 521 I CB 0.927 39.012 38.000 0.142 0.000 1.377 521 I HN -0.010 nan 8.210 nan 0.000 0.560 522 P HA 0.238 nan 4.420 nan 0.000 0.277 522 P C -1.588 175.838 177.300 0.209 0.000 1.240 522 P CA -0.515 62.692 63.100 0.178 0.000 0.798 522 P CB 1.425 33.191 31.700 0.111 0.000 0.979 523 A N 2.125 124.950 122.820 0.009 0.000 2.353 523 A HA 0.468 4.788 4.320 0.000 0.000 0.299 523 A C -0.945 176.485 177.584 -0.258 0.000 1.089 523 A CA -0.561 51.391 52.037 -0.142 0.000 0.736 523 A CB 0.627 19.325 19.000 -0.502 0.000 1.195 523 A HN 0.364 nan 8.150 nan 0.000 0.447 524 D N 2.005 122.247 120.400 -0.263 0.000 2.317 524 D HA 0.461 5.101 4.640 0.000 0.000 0.234 524 D C -1.042 175.173 176.300 -0.141 0.000 1.112 524 D CA 0.525 54.445 54.000 -0.132 0.000 0.840 524 D CB 0.648 41.383 40.800 -0.108 0.000 1.078 524 D HN 0.329 nan 8.370 nan 0.000 0.486 525 F N 1.707 121.728 119.950 0.118 0.000 2.385 525 F HA 0.243 4.770 4.527 0.000 0.000 0.360 525 F C 1.739 177.719 175.800 0.300 0.000 1.122 525 F CA -0.906 57.185 58.000 0.151 0.000 1.090 525 F CB 1.405 40.437 39.000 0.054 0.000 1.150 525 F HN 0.110 nan 8.300 nan 0.000 0.472 526 R N 3.243 123.961 120.500 0.365 0.000 2.096 526 R HA -0.064 4.276 4.340 0.000 0.000 0.235 526 R C -0.823 175.727 176.300 0.416 0.000 1.127 526 R CA 1.641 57.857 56.100 0.193 0.000 0.968 526 R CB -0.269 29.982 30.300 -0.081 0.000 0.861 526 R HN 0.687 nan 8.270 nan 0.000 0.440 527 Y N -5.743 114.804 120.300 0.412 0.000 2.750 527 Y HA 0.495 5.045 4.550 0.000 0.000 0.335 527 Y C -1.738 174.394 175.900 0.388 0.000 1.252 527 Y CA -2.351 55.877 58.100 0.213 0.000 1.064 527 Y CB 0.608 39.099 38.460 0.051 0.000 1.321 527 Y HN -0.170 nan 8.280 nan 0.000 0.451 528 F N 2.315 122.377 119.950 0.186 0.000 2.671 528 F HA 0.600 5.127 4.527 0.000 0.000 0.332 528 F C -0.862 175.136 175.800 0.331 0.000 1.189 528 F CA -0.732 57.441 58.000 0.289 0.000 0.988 528 F CB 1.339 40.574 39.000 0.391 0.000 1.258 528 F HN 0.769 nan 8.300 nan 0.000 0.471 529 R N 4.939 125.378 120.500 -0.101 0.000 2.474 529 R HA 0.466 4.806 4.340 0.000 0.000 0.295 529 R C -2.137 174.069 176.300 -0.156 0.000 0.980 529 R CA -0.653 55.437 56.100 -0.017 0.000 0.934 529 R CB 1.420 31.774 30.300 0.091 0.000 1.101 529 R HN 0.767 nan 8.270 nan 0.000 0.469 530 Y N 3.423 123.685 120.300 -0.064 0.000 2.315 530 Y HA 0.302 4.852 4.550 0.000 0.000 0.324 530 Y C -1.576 174.370 175.900 0.076 0.000 1.062 530 Y CA -0.683 57.403 58.100 -0.024 0.000 1.159 530 Y CB 1.182 39.632 38.460 -0.016 0.000 1.145 530 Y HN 0.507 nan 8.280 nan 0.000 0.442 531 K N 5.762 125.941 120.400 -0.369 0.000 2.545 531 K HA 0.342 4.662 4.320 0.000 0.000 0.252 531 K C -1.213 175.200 176.600 -0.310 0.000 0.948 531 K CA -0.501 55.637 56.287 -0.249 0.000 0.827 531 K CB 1.261 33.685 32.500 -0.126 0.000 1.128 531 K HN 0.771 nan 8.250 nan 0.000 0.429 532 E N 2.765 122.814 120.200 -0.252 0.000 2.331 532 E HA 0.079 4.429 4.350 0.000 0.000 0.272 532 E C -0.437 176.133 176.600 -0.049 0.000 1.036 532 E CA -0.437 55.892 56.400 -0.119 0.000 0.864 532 E CB 1.525 31.203 29.700 -0.037 0.000 1.035 532 E HN 0.323 nan 8.360 nan 0.000 0.408 533 K N 0.000 120.394 120.400 -0.010 0.000 2.780 533 K HA 0.000 4.320 4.320 0.000 0.000 0.191 533 K CA 0.000 56.269 56.287 -0.031 0.000 0.838 533 K CB 0.000 32.484 32.500 -0.026 0.000 1.064 533 K HN 0.000 nan 8.250 nan 0.000 0.543