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 2vak_1_D DATA FIRST_RESID 5 DATA SEQUENCE SEFGSTMARA IYDFFSTPFG NRGLATNRTQ LSSLLSSSNS PWQXXXXXXX DATA SEQUENCE XXXXXXIVST PEAPYPGSLM YQESMLHSAT VPGVLGSRDA WRTFNVFGLS DATA SEQUENCE WTDEGLSGLV AAQDPPPAAP YQPASAQWSD LLNYPRWANR RRELQSKYPL DATA SEQUENCE LLRSTLLSAM RAGPVLYVET WPNMISGRLA DWFMSQYGNN FVDMCARLTQ DATA SEQUENCE SCSNMPVEPD GNYDQQMRAL ISLWLLSYIG VVNQTNTISG FYFSSKTRGQ DATA SEQUENCE ALDSWTLFYT TNTNRVQITQ RHFAYVCARS PDWNVDKSWI AAANLTAIVM DATA SEQUENCE ACRQPPVFAN QGVINQAQNR PGFSMNGGTP VHELNLLTTA QECIRQWVMA DATA SEQUENCE GLVSAAKGQA LTQEANDFSN LIQADLGQIK AQDDALYNQQ PGYARRIKPF DATA SEQUENCE VNGDWTPGMT AQALAVLATF TA 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.508 174.600 -0.153 0.000 1.055 5 S CA 0.000 58.143 58.200 -0.095 0.000 1.107 5 S CB 0.000 63.180 63.200 -0.033 0.000 0.593 6 E N 1.565 121.612 120.200 -0.255 0.000 2.347 6 E HA 0.008 4.358 4.350 0.000 0.000 0.196 6 E C 0.457 176.749 176.600 -0.514 0.000 1.008 6 E CA 0.997 57.136 56.400 -0.434 0.000 0.852 6 E CB -0.305 29.034 29.700 -0.602 0.000 0.783 6 E HN 0.611 nan 8.360 nan 0.000 0.505 7 F N 0.790 120.678 119.950 -0.103 0.000 2.731 7 F HA 0.362 4.889 4.527 0.000 0.000 0.298 7 F C 1.624 177.332 175.800 -0.153 0.000 1.106 7 F CA 0.402 58.329 58.000 -0.121 0.000 1.329 7 F CB 0.753 39.690 39.000 -0.104 0.000 1.100 7 F HN 0.231 nan 8.300 nan 0.000 0.592 8 G N 0.347 109.141 108.800 -0.010 0.000 2.509 8 G HA2 -0.239 3.721 3.960 0.000 0.000 0.259 8 G HA3 -0.239 3.721 3.960 0.000 0.000 0.259 8 G C -0.234 174.619 174.900 -0.079 0.000 1.169 8 G CA -0.179 44.872 45.100 -0.082 0.000 0.953 8 G HN 0.180 nan 8.290 nan 0.000 0.563 9 S N 0.795 116.446 115.700 -0.082 0.000 2.577 9 S HA 0.555 5.025 4.470 0.000 0.000 0.294 9 S C 0.956 175.516 174.600 -0.067 0.000 1.161 9 S CA 0.518 58.669 58.200 -0.080 0.000 1.143 9 S CB 1.345 64.495 63.200 -0.083 0.000 0.991 9 S HN 1.448 nan 8.310 nan 0.000 0.475 10 T N -0.953 113.556 114.554 -0.074 0.000 3.022 10 T HA 0.274 4.624 4.350 0.000 0.000 0.250 10 T C 0.618 175.265 174.700 -0.088 0.000 1.060 10 T CA -0.112 61.938 62.100 -0.084 0.000 1.013 10 T CB -0.221 68.587 68.868 -0.100 0.000 0.982 10 T HN 0.454 nan 8.240 nan 0.000 0.508 11 M N 2.445 121.992 119.600 -0.087 0.000 2.188 11 M HA 0.554 5.035 4.480 0.000 0.000 0.354 11 M C 0.591 176.843 176.300 -0.080 0.000 1.342 11 M CA -0.704 54.544 55.300 -0.086 0.000 1.117 11 M CB 0.606 33.154 32.600 -0.087 0.000 1.670 11 M HN 0.194 nan 8.290 nan 0.000 0.466 12 A N 3.325 126.101 122.820 -0.073 0.000 2.520 12 A HA 0.197 4.517 4.320 0.000 0.000 0.235 12 A C 0.286 177.813 177.584 -0.094 0.000 1.065 12 A CA -0.156 51.840 52.037 -0.068 0.000 0.764 12 A CB 0.147 19.118 19.000 -0.048 0.000 1.002 12 A HN 0.922 nan 8.150 nan 0.000 0.502 13 R N 1.117 121.541 120.500 -0.127 0.000 2.490 13 R HA 0.471 4.811 4.340 0.000 0.000 0.280 13 R C 0.396 176.511 176.300 -0.309 0.000 1.077 13 R CA 0.898 56.844 56.100 -0.256 0.000 1.065 13 R CB 0.649 30.732 30.300 -0.361 0.000 1.003 13 R HN 0.802 nan 8.270 nan 0.000 0.470 14 A N 4.591 127.204 122.820 -0.345 0.000 2.425 14 A HA 0.319 4.639 4.320 0.000 0.000 0.201 14 A C 0.051 177.502 177.584 -0.222 0.000 1.431 14 A CA -0.325 51.601 52.037 -0.185 0.000 1.066 14 A CB 0.213 19.164 19.000 -0.082 0.000 1.318 14 A HN 0.581 nan 8.150 nan 0.000 0.534 15 I N 1.113 121.468 120.570 -0.358 0.000 2.328 15 I HA 0.300 4.470 4.170 0.000 0.000 0.287 15 I C -1.313 174.550 176.117 -0.422 0.000 1.012 15 I CA -0.556 60.607 61.300 -0.230 0.000 1.195 15 I CB 0.961 38.901 38.000 -0.100 0.000 1.350 15 I HN 0.219 nan 8.210 nan 0.000 0.464 16 Y N 4.259 124.453 120.300 -0.176 0.000 2.841 16 Y HA 0.343 4.893 4.550 0.000 0.000 0.329 16 Y C -0.111 175.825 175.900 0.060 0.000 1.062 16 Y CA -0.849 57.027 58.100 -0.373 0.000 1.281 16 Y CB 0.158 38.268 38.460 -0.582 0.000 1.147 16 Y HN 0.459 nan 8.280 nan 0.000 0.521 17 D N 2.131 122.746 120.400 0.358 0.000 2.193 17 D HA 0.316 4.956 4.640 0.000 0.000 0.249 17 D C -1.164 175.534 176.300 0.663 0.000 1.034 17 D CA -0.267 54.014 54.000 0.468 0.000 0.902 17 D CB 1.417 42.406 40.800 0.315 0.000 1.182 17 D HN 0.297 nan 8.370 nan 0.000 0.436 18 F N 2.464 122.701 119.950 0.480 0.000 2.529 18 F HA 0.526 5.054 4.527 0.000 0.000 0.320 18 F C -1.867 174.049 175.800 0.193 0.000 1.118 18 F CA -1.124 57.065 58.000 0.315 0.000 0.915 18 F CB 1.100 40.252 39.000 0.255 0.000 1.161 18 F HN 0.126 nan 8.300 nan 0.000 0.445 19 F N 5.487 124.728 119.950 -1.183 0.000 2.449 19 F HA 0.541 5.068 4.527 0.000 0.000 0.342 19 F C -0.264 174.734 175.800 -1.336 0.000 1.127 19 F CA -0.765 56.394 58.000 -1.403 0.000 0.975 19 F CB 1.325 39.229 39.000 -1.826 0.000 1.146 19 F HN 0.547 nan 8.300 nan 0.000 0.444 20 S N 3.007 117.939 115.700 -1.281 0.000 2.592 20 S HA 0.319 4.789 4.470 0.000 0.000 0.271 20 S C -0.003 174.166 174.600 -0.718 0.000 1.326 20 S CA -0.734 57.053 58.200 -0.688 0.000 1.024 20 S CB 0.672 63.786 63.200 -0.144 0.000 0.921 20 S HN 0.691 nan 8.310 nan 0.000 0.527 21 T N 4.751 119.134 114.554 -0.284 0.000 2.866 21 T HA 0.185 4.535 4.350 0.000 0.000 0.293 21 T C -2.207 172.383 174.700 -0.183 0.000 1.005 21 T CA -0.374 61.628 62.100 -0.163 0.000 1.162 21 T CB -0.340 68.504 68.868 -0.039 0.000 0.968 21 T HN 0.568 nan 8.240 nan 0.000 0.530 22 P HA 0.287 nan 4.420 nan 0.000 0.271 22 P C -0.731 176.567 177.300 -0.004 0.000 1.216 22 P CA -0.260 62.721 63.100 -0.198 0.000 0.771 22 P CB 0.242 31.880 31.700 -0.102 0.000 0.864 23 F N -0.087 119.853 119.950 -0.015 0.000 2.664 23 F HA 0.840 5.367 4.527 0.000 0.000 0.317 23 F C 0.269 176.107 175.800 0.063 0.000 1.108 23 F CA -0.965 57.043 58.000 0.012 0.000 0.957 23 F CB 0.830 39.851 39.000 0.034 0.000 1.365 23 F HN 0.384 nan 8.300 nan 0.000 0.475 24 G N 0.045 109.145 108.800 0.500 0.000 3.410 24 G HA2 0.114 4.074 3.960 0.000 0.000 0.189 24 G HA3 0.114 4.074 3.960 0.000 0.000 0.189 24 G C 0.076 175.254 174.900 0.465 0.000 1.404 24 G CA -0.334 45.004 45.100 0.398 0.000 0.898 24 G HN 0.753 nan 8.290 nan 0.000 0.650 25 N N -0.078 118.838 118.700 0.361 0.000 2.142 25 N HA -0.065 4.675 4.740 0.000 0.000 0.186 25 N C 1.224 176.793 175.510 0.098 0.000 1.023 25 N CA 0.603 53.758 53.050 0.175 0.000 0.852 25 N CB 0.068 38.600 38.487 0.075 0.000 0.998 25 N HN 0.169 nan 8.380 nan 0.000 0.424 26 R N 0.842 121.337 120.500 -0.007 0.000 2.609 26 R HA 0.266 4.606 4.340 0.000 0.000 0.326 26 R C 0.647 176.940 176.300 -0.012 0.000 1.090 26 R CA 0.040 56.057 56.100 -0.137 0.000 1.072 26 R CB 0.543 30.579 30.300 -0.440 0.000 1.330 26 R HN 0.202 nan 8.270 nan 0.000 0.572 27 G N 1.214 110.046 108.800 0.054 0.000 2.660 27 G HA2 -0.255 3.705 3.960 0.000 0.000 0.247 27 G HA3 -0.255 3.705 3.960 0.000 0.000 0.247 27 G C -0.892 173.612 174.900 -0.660 0.000 1.328 27 G CA -0.833 44.023 45.100 -0.407 0.000 0.884 27 G HN 0.215 nan 8.290 nan 0.000 0.531 28 L N 1.077 121.664 121.223 -1.060 0.000 2.477 28 L HA 0.569 4.909 4.340 0.000 0.000 0.272 28 L C 1.610 178.421 176.870 -0.098 0.000 1.157 28 L CA 1.021 55.551 54.840 -0.516 0.000 0.889 28 L CB 0.551 42.475 42.059 -0.225 0.000 1.158 28 L HN 1.740 nan 8.230 nan 0.000 0.473 29 A N 4.008 126.802 122.820 -0.043 0.000 3.004 29 A HA 0.377 4.698 4.320 0.000 0.000 0.252 29 A C 0.562 178.077 177.584 -0.116 0.000 1.802 29 A CA 0.411 52.460 52.037 0.019 0.000 1.424 29 A CB -0.867 18.055 19.000 -0.130 0.000 1.005 29 A HN 0.789 nan 8.150 nan 0.000 0.631 30 T N -0.372 114.031 114.554 -0.252 0.000 2.696 30 T HA 0.630 4.980 4.350 0.000 0.000 0.291 30 T C -1.099 173.193 174.700 -0.681 0.000 1.095 30 T CA -0.242 61.583 62.100 -0.459 0.000 1.026 30 T CB 1.103 69.655 68.868 -0.527 0.000 1.390 30 T HN 0.776 nan 8.240 nan 0.000 0.513 31 N N -0.533 117.756 118.700 -0.686 0.000 3.020 31 N HA 0.358 5.098 4.740 0.000 0.000 0.248 31 N C 0.343 175.615 175.510 -0.397 0.000 1.480 31 N CA -0.944 51.767 53.050 -0.564 0.000 0.874 31 N CB 0.784 39.137 38.487 -0.224 0.000 1.433 31 N HN 0.526 nan 8.380 nan 0.000 0.530 32 R N -0.804 119.597 120.500 -0.165 0.000 2.105 32 R HA -0.091 4.249 4.340 0.000 0.000 0.239 32 R C 0.761 176.994 176.300 -0.112 0.000 1.135 32 R CA 2.514 58.561 56.100 -0.088 0.000 0.967 32 R CB -0.679 29.616 30.300 -0.008 0.000 0.861 32 R HN 0.752 nan 8.270 nan 0.000 0.442 33 T N 0.319 114.807 114.554 -0.110 0.000 2.708 33 T HA -0.202 4.148 4.350 0.000 0.000 0.266 33 T C 1.677 176.301 174.700 -0.126 0.000 1.037 33 T CA 1.441 63.481 62.100 -0.099 0.000 1.146 33 T CB -0.201 68.619 68.868 -0.081 0.000 0.865 33 T HN 0.395 nan 8.240 nan 0.000 0.435 34 Q N 0.455 120.153 119.800 -0.171 0.000 2.046 34 Q HA -0.044 4.296 4.340 0.000 0.000 0.200 34 Q C 2.361 178.254 176.000 -0.179 0.000 0.975 34 Q CA 1.122 56.817 55.803 -0.179 0.000 0.836 34 Q CB -0.271 28.334 28.738 -0.220 0.000 0.896 34 Q HN 0.489 nan 8.270 nan 0.000 0.428 35 L N 0.248 121.341 121.223 -0.216 0.000 2.042 35 L HA -0.187 4.153 4.340 0.000 0.000 0.210 35 L C 2.561 179.337 176.870 -0.157 0.000 1.076 35 L CA 1.210 55.931 54.840 -0.199 0.000 0.749 35 L CB -0.491 41.441 42.059 -0.211 0.000 0.893 35 L HN 0.186 nan 8.230 nan 0.000 0.432 36 S N -0.076 115.545 115.700 -0.132 0.000 2.368 36 S HA -0.182 4.288 4.470 0.000 0.000 0.225 36 S C 2.195 176.740 174.600 -0.091 0.000 1.030 36 S CA 1.535 59.673 58.200 -0.105 0.000 0.999 36 S CB -0.312 62.839 63.200 -0.082 0.000 0.844 36 S HN 0.635 nan 8.310 nan 0.000 0.459 37 S N 1.949 117.595 115.700 -0.091 0.000 2.419 37 S HA -0.031 4.439 4.470 0.000 0.000 0.235 37 S C 1.594 176.151 174.600 -0.073 0.000 1.019 37 S CA 0.864 59.019 58.200 -0.074 0.000 0.982 37 S CB -0.671 62.484 63.200 -0.075 0.000 0.789 37 S HN 0.500 nan 8.310 nan 0.000 0.490 38 L N 0.548 121.715 121.223 -0.094 0.000 2.554 38 L HA 0.325 4.665 4.340 0.000 0.000 0.226 38 L C 0.705 177.524 176.870 -0.085 0.000 1.137 38 L CA 0.010 54.795 54.840 -0.091 0.000 0.863 38 L CB -0.450 41.534 42.059 -0.125 0.000 0.985 38 L HN 0.270 nan 8.230 nan 0.000 0.451 39 L N -0.388 120.783 121.223 -0.086 0.000 2.421 39 L HA 0.274 4.614 4.340 0.000 0.000 0.263 39 L C 0.852 177.697 176.870 -0.042 0.000 1.122 39 L CA -0.352 54.440 54.840 -0.079 0.000 0.804 39 L CB 1.349 43.352 42.059 -0.093 0.000 1.150 39 L HN 0.120 nan 8.230 nan 0.000 0.457 40 S N -0.406 115.280 115.700 -0.023 0.000 2.669 40 S HA 0.150 4.620 4.470 0.000 0.000 0.270 40 S C 1.198 175.801 174.600 0.004 0.000 1.225 40 S CA -0.160 58.040 58.200 0.001 0.000 0.991 40 S CB 1.478 64.692 63.200 0.024 0.000 0.987 40 S HN 0.702 nan 8.310 nan 0.000 0.552 41 S N 1.428 117.135 115.700 0.010 0.000 2.414 41 S HA -0.222 4.248 4.470 0.000 0.000 0.241 41 S C 1.525 176.136 174.600 0.017 0.000 1.079 41 S CA 1.740 59.948 58.200 0.012 0.000 1.087 41 S CB -1.385 61.825 63.200 0.016 0.000 0.927 41 S HN 1.363 nan 8.310 nan 0.000 0.456 42 S N 0.879 116.595 115.700 0.027 0.000 2.561 42 S HA 0.374 4.844 4.470 0.000 0.000 0.245 42 S C 0.163 174.787 174.600 0.040 0.000 1.001 42 S CA -0.236 57.986 58.200 0.037 0.000 1.002 42 S CB -1.023 62.206 63.200 0.049 0.000 0.805 42 S HN 0.628 nan 8.310 nan 0.000 0.458 43 N N 0.311 119.021 118.700 0.018 0.000 2.782 43 N HA -0.178 4.562 4.740 0.000 0.000 0.251 43 N C -0.290 175.219 175.510 -0.002 0.000 1.101 43 N CA 0.673 53.722 53.050 -0.003 0.000 0.764 43 N CB -1.645 36.843 38.487 0.003 0.000 1.122 43 N HN 0.534 nan 8.380 nan 0.000 0.561 44 S N 0.947 116.662 115.700 0.025 0.000 2.465 44 S HA 0.311 4.781 4.470 0.000 0.000 0.279 44 S C -1.249 173.307 174.600 -0.074 0.000 1.201 44 S CA -1.508 56.720 58.200 0.047 0.000 1.053 44 S CB 1.013 64.296 63.200 0.138 0.000 0.953 44 S HN 0.037 nan 8.310 nan 0.000 0.488 45 P HA 0.112 nan 4.420 nan 0.000 0.245 45 P C 0.138 177.237 177.300 -0.334 0.000 1.212 45 P CA 0.518 63.361 63.100 -0.428 0.000 0.774 45 P CB -0.079 31.202 31.700 -0.699 0.000 0.999 46 W N 0.422 121.816 121.300 0.157 0.000 2.850 46 W HA 0.115 4.775 4.660 0.000 0.000 0.260 46 W C 1.355 177.922 176.519 0.081 0.000 1.129 46 W CA -0.334 57.084 57.345 0.121 0.000 1.587 46 W CB -0.601 28.920 29.460 0.102 0.000 1.041 46 W HN -0.109 nan 8.180 nan 0.000 0.614 62 V N 1.274 121.192 119.914 0.007 0.000 3.515 62 V HA 0.099 4.219 4.120 0.000 0.000 0.298 62 V C 1.367 177.454 176.094 -0.011 0.000 1.206 62 V CA 0.817 63.117 62.300 0.000 0.000 1.253 62 V CB -0.261 31.566 31.823 0.007 0.000 1.035 62 V HN 0.560 nan 8.190 nan 0.000 0.428 63 S N 0.592 116.277 115.700 -0.026 0.000 2.572 63 S HA 0.154 4.624 4.470 0.000 0.000 0.262 63 S C 0.295 174.863 174.600 -0.054 0.000 1.375 63 S CA 0.847 59.011 58.200 -0.059 0.000 0.996 63 S CB 0.503 63.639 63.200 -0.106 0.000 0.892 63 S HN 0.732 nan 8.310 nan 0.000 0.562 64 T N 3.351 117.865 114.554 -0.068 0.000 3.047 64 T HA 0.409 4.759 4.350 0.000 0.000 0.340 64 T C -2.330 172.336 174.700 -0.056 0.000 1.421 64 T CA -0.708 61.362 62.100 -0.050 0.000 1.090 64 T CB 1.685 70.531 68.868 -0.036 0.000 1.292 64 T HN 0.344 nan 8.240 nan 0.000 0.480 65 P HA -0.094 nan 4.420 nan 0.000 0.216 65 P C 0.993 178.275 177.300 -0.029 0.000 1.153 65 P CA 1.270 64.350 63.100 -0.033 0.000 0.858 65 P CB 0.320 32.008 31.700 -0.021 0.000 0.789 66 E N -0.835 119.343 120.200 -0.036 0.000 2.152 66 E HA 0.066 4.417 4.350 0.000 0.000 0.192 66 E C 0.887 177.465 176.600 -0.037 0.000 0.983 66 E CA 0.948 57.321 56.400 -0.046 0.000 0.818 66 E CB -0.316 29.351 29.700 -0.055 0.000 0.758 66 E HN 0.132 nan 8.360 nan 0.000 0.467 67 A N 0.582 123.384 122.820 -0.030 0.000 2.943 67 A HA 0.313 4.633 4.320 0.000 0.000 0.327 67 A C -2.111 175.454 177.584 -0.032 0.000 1.141 67 A CA -1.118 50.913 52.037 -0.010 0.000 0.773 67 A CB 0.577 19.575 19.000 -0.003 0.000 1.143 67 A HN -0.088 nan 8.150 nan 0.000 0.463 68 P HA -0.081 nan 4.420 nan 0.000 0.220 68 P C -0.180 176.866 177.300 -0.423 0.000 1.148 68 P CA 1.353 64.317 63.100 -0.226 0.000 0.803 68 P CB 0.049 31.610 31.700 -0.232 0.000 0.782 69 Y N -1.465 118.819 120.300 -0.027 0.000 2.536 69 Y HA 0.317 4.867 4.550 0.000 0.000 0.347 69 Y C -1.319 174.571 175.900 -0.017 0.000 1.000 69 Y CA -2.581 55.497 58.100 -0.038 0.000 1.051 69 Y CB 1.173 39.567 38.460 -0.111 0.000 1.259 69 Y HN -0.317 nan 8.280 nan 0.000 0.468 70 P HA -0.198 nan 4.420 nan 0.000 0.217 70 P C 1.396 178.790 177.300 0.156 0.000 1.151 70 P CA 2.200 65.388 63.100 0.148 0.000 0.849 70 P CB -0.020 31.777 31.700 0.163 0.000 0.787 71 G N -0.674 108.182 108.800 0.093 0.000 2.470 71 G HA2 -0.197 3.763 3.960 0.000 0.000 0.220 71 G HA3 -0.197 3.763 3.960 0.000 0.000 0.220 71 G C 1.681 176.645 174.900 0.107 0.000 1.121 71 G CA 0.650 45.767 45.100 0.027 0.000 0.766 71 G HN 0.216 nan 8.290 nan 0.000 0.553 72 S N 0.483 116.244 115.700 0.102 0.000 2.359 72 S HA -0.070 4.400 4.470 0.000 0.000 0.224 72 S C 2.260 176.952 174.600 0.153 0.000 1.035 72 S CA 0.995 59.276 58.200 0.135 0.000 1.018 72 S CB -0.229 63.033 63.200 0.104 0.000 0.876 72 S HN 0.357 nan 8.310 nan 0.000 0.448 73 L N 0.568 121.863 121.223 0.120 0.000 2.141 73 L HA -0.037 4.303 4.340 0.000 0.000 0.209 73 L C 2.501 179.428 176.870 0.094 0.000 1.094 73 L CA 0.889 55.776 54.840 0.079 0.000 0.763 73 L CB -0.456 41.640 42.059 0.062 0.000 0.908 73 L HN 0.312 nan 8.230 nan 0.000 0.437 74 M N -1.045 118.660 119.600 0.176 0.000 2.065 74 M HA -0.308 4.173 4.480 0.000 0.000 0.259 74 M C 2.437 178.859 176.300 0.205 0.000 1.069 74 M CA 2.085 57.510 55.300 0.208 0.000 1.110 74 M CB -0.319 32.478 32.600 0.329 0.000 1.328 74 M HN 0.211 nan 8.290 nan 0.000 0.405 75 Y N 0.822 121.212 120.300 0.149 0.000 2.145 75 Y HA -0.268 4.283 4.550 0.000 0.000 0.286 75 Y C 2.224 178.136 175.900 0.020 0.000 1.145 75 Y CA 2.076 60.239 58.100 0.105 0.000 1.148 75 Y CB -0.542 37.999 38.460 0.136 0.000 0.981 75 Y HN 0.367 nan 8.280 nan 0.000 0.507 76 Q N -0.050 119.706 119.800 -0.074 0.000 2.050 76 Q HA -0.225 4.115 4.340 0.000 0.000 0.202 76 Q C 2.104 177.950 176.000 -0.257 0.000 0.980 76 Q CA 2.035 57.715 55.803 -0.205 0.000 0.840 76 Q CB -0.233 28.453 28.738 -0.086 0.000 0.898 76 Q HN 0.613 nan 8.270 nan 0.000 0.424 77 E N 0.357 120.431 120.200 -0.210 0.000 2.204 77 E HA -0.158 4.192 4.350 0.000 0.000 0.195 77 E C 2.155 178.415 176.600 -0.568 0.000 0.990 77 E CA 1.121 57.297 56.400 -0.374 0.000 0.821 77 E CB -0.036 29.494 29.700 -0.283 0.000 0.750 77 E HN 0.300 nan 8.360 nan 0.000 0.477 78 S N 0.769 116.301 115.700 -0.280 0.000 2.382 78 S HA -0.169 4.301 4.470 0.000 0.000 0.228 78 S C 2.050 176.586 174.600 -0.107 0.000 1.027 78 S CA 0.916 59.049 58.200 -0.113 0.000 0.991 78 S CB -0.187 62.989 63.200 -0.041 0.000 0.823 78 S HN 0.172 nan 8.310 nan 0.000 0.469 79 M N 0.295 119.734 119.600 -0.267 0.000 2.200 79 M HA 0.089 4.569 4.480 0.000 0.000 0.265 79 M C 2.285 178.529 176.300 -0.093 0.000 1.066 79 M CA 0.996 56.178 55.300 -0.196 0.000 1.127 79 M CB -0.612 31.779 32.600 -0.347 0.000 1.379 79 M HN 0.406 nan 8.290 nan 0.000 0.420 80 L N 0.293 121.404 121.223 -0.186 0.000 2.017 80 L HA -0.173 4.168 4.340 0.000 0.000 0.208 80 L C 2.167 179.061 176.870 0.041 0.000 1.073 80 L CA 2.109 56.870 54.840 -0.132 0.000 0.745 80 L CB -0.849 41.065 42.059 -0.240 0.000 0.894 80 L HN 0.290 nan 8.230 nan 0.000 0.432 81 H N -1.418 117.693 119.070 0.068 0.000 2.352 81 H HA -0.130 4.426 4.556 0.000 0.000 0.299 81 H C 2.152 177.560 175.328 0.133 0.000 1.097 81 H CA 1.240 57.350 56.048 0.103 0.000 1.311 81 H CB -0.093 29.806 29.762 0.228 0.000 1.377 81 H HN 0.379 nan 8.280 nan 0.000 0.504 82 S N 0.044 116.000 115.700 0.427 0.000 2.453 82 S HA -0.041 4.429 4.470 0.000 0.000 0.231 82 S C 2.266 177.122 174.600 0.425 0.000 1.005 82 S CA 0.619 59.110 58.200 0.485 0.000 0.949 82 S CB 0.074 63.497 63.200 0.371 0.000 0.774 82 S HN 0.520 nan 8.310 nan 0.000 0.510 83 A N 1.478 124.526 122.820 0.380 0.000 1.943 83 A HA 0.027 4.347 4.320 0.000 0.000 0.213 83 A C 2.283 180.221 177.584 0.590 0.000 1.181 83 A CA 1.464 53.795 52.037 0.490 0.000 0.653 83 A CB -0.688 18.586 19.000 0.456 0.000 0.833 83 A HN 0.559 nan 8.150 nan 0.000 0.451 84 T N -4.142 110.669 114.554 0.428 0.000 3.014 84 T HA 0.215 4.565 4.350 0.000 0.000 0.250 84 T C 1.418 176.311 174.700 0.321 0.000 1.060 84 T CA 0.950 63.335 62.100 0.475 0.000 1.040 84 T CB 0.285 69.305 68.868 0.252 0.000 0.971 84 T HN 0.005 nan 8.240 nan 0.000 0.497 85 V N 1.837 121.842 119.914 0.152 0.000 2.602 85 V HA 0.170 4.291 4.120 0.000 0.000 0.235 85 V C -0.722 175.240 176.094 -0.221 0.000 1.087 85 V CA 0.162 62.418 62.300 -0.074 0.000 1.117 85 V CB -0.866 30.905 31.823 -0.087 0.000 0.820 85 V HN 0.210 nan 8.190 nan 0.000 0.490 86 P HA -0.165 nan 4.420 nan 0.000 0.217 86 P C 1.519 178.712 177.300 -0.178 0.000 1.151 86 P CA 2.018 65.111 63.100 -0.010 0.000 0.849 86 P CB -0.258 31.589 31.700 0.245 0.000 0.787 87 G N -1.234 107.255 108.800 -0.518 0.000 2.679 87 G HA2 -0.072 3.888 3.960 0.000 0.000 0.212 87 G HA3 -0.072 3.888 3.960 0.000 0.000 0.212 87 G C 1.130 175.672 174.900 -0.597 0.000 1.137 87 G CA 0.222 44.807 45.100 -0.859 0.000 0.787 87 G HN 0.229 nan 8.290 nan 0.000 0.534 88 V N 0.438 119.922 119.914 -0.716 0.000 3.578 88 V HA 0.219 4.340 4.120 0.000 0.000 0.290 88 V C 2.277 178.184 176.094 -0.312 0.000 1.376 88 V CA 0.060 62.007 62.300 -0.588 0.000 1.083 88 V CB 0.234 31.556 31.823 -0.836 0.000 0.911 88 V HN 0.313 nan 8.190 nan 0.000 0.433 89 L N 0.834 121.914 121.223 -0.239 0.000 2.156 89 L HA 0.051 4.391 4.340 0.000 0.000 0.208 89 L C 2.157 179.083 176.870 0.092 0.000 1.095 89 L CA 1.523 56.328 54.840 -0.057 0.000 0.770 89 L CB -0.487 41.562 42.059 -0.017 0.000 0.914 89 L HN 0.505 nan 8.230 nan 0.000 0.439 90 G N -0.290 108.535 108.800 0.043 0.000 3.414 90 G HA2 0.428 4.388 3.960 0.000 0.000 0.258 90 G HA3 0.428 4.388 3.960 0.000 0.000 0.258 90 G C 0.195 175.115 174.900 0.034 0.000 1.348 90 G CA 0.849 45.978 45.100 0.049 0.000 1.319 90 G HN 0.458 nan 8.290 nan 0.000 0.555 91 S N -0.169 115.547 115.700 0.027 0.000 2.816 91 S HA 0.312 4.782 4.470 0.000 0.000 0.282 91 S C 0.700 175.268 174.600 -0.053 0.000 0.867 91 S CA -0.195 57.997 58.200 -0.015 0.000 0.886 91 S CB 0.082 nan 63.200 nan 0.000 1.115 91 S HN 0.507 nan 8.310 nan 0.000 0.485 92 R N -0.113 120.320 120.500 -0.113 0.000 2.313 92 R HA 0.228 4.568 4.340 0.000 0.000 0.199 92 R C -0.813 175.539 176.300 0.085 0.000 0.958 92 R CA 0.702 56.705 56.100 -0.162 0.000 1.047 92 R CB -0.026 30.143 30.300 -0.220 0.000 0.955 92 R HN 0.415 nan 8.270 nan 0.000 0.481 93 D N 0.456 120.915 120.400 0.097 0.000 2.623 93 D HA 0.228 4.868 4.640 0.000 0.000 0.252 93 D C 0.732 177.018 176.300 -0.023 0.000 1.294 93 D CA 0.028 54.077 54.000 0.081 0.000 0.824 93 D CB 1.362 42.159 40.800 -0.005 0.000 1.070 93 D HN 0.306 nan 8.370 nan 0.000 0.487 94 A N 0.817 123.696 122.820 0.099 0.000 1.968 94 A HA -0.086 4.234 4.320 0.000 0.000 0.217 94 A C 1.941 179.592 177.584 0.111 0.000 1.169 94 A CA 0.402 52.486 52.037 0.078 0.000 0.638 94 A CB -0.870 18.173 19.000 0.072 0.000 0.812 94 A HN 0.513 nan 8.150 nan 0.000 0.446 95 W N 0.623 121.963 121.300 0.067 0.000 2.424 95 W HA -0.110 4.550 4.660 0.000 0.000 0.264 95 W C 1.434 178.072 176.519 0.198 0.000 1.229 95 W CA 0.831 58.266 57.345 0.150 0.000 1.208 95 W CB -0.646 28.864 29.460 0.082 0.000 1.127 95 W HN 0.287 nan 8.180 nan 0.000 0.588 96 R N 0.784 120.802 120.500 -0.803 0.000 2.062 96 R HA -0.077 4.264 4.340 0.000 0.000 0.229 96 R C 2.537 178.637 176.300 -0.334 0.000 1.128 96 R CA 2.589 58.131 56.100 -0.930 0.000 0.960 96 R CB -0.612 29.168 30.300 -0.868 0.000 0.855 96 R HN 0.267 nan 8.270 nan 0.000 0.432 97 T N -2.783 111.677 114.554 -0.157 0.000 3.023 97 T HA 0.104 4.454 4.350 0.000 0.000 0.253 97 T C 0.364 175.090 174.700 0.045 0.000 1.038 97 T CA -0.502 61.568 62.100 -0.051 0.000 0.962 97 T CB -0.071 68.765 68.868 -0.053 0.000 1.018 97 T HN 0.051 nan 8.240 nan 0.000 0.521 98 F N 4.570 124.515 119.950 -0.008 0.000 2.571 98 F HA 0.347 4.875 4.527 0.000 0.000 0.384 98 F C 0.123 175.957 175.800 0.058 0.000 1.058 98 F CA -0.636 57.394 58.000 0.049 0.000 1.200 98 F CB 0.037 39.100 39.000 0.106 0.000 1.077 98 F HN 0.445 nan 8.300 nan 0.000 0.558 99 N N 4.424 122.757 118.700 -0.612 0.000 2.225 99 N HA 0.650 5.391 4.740 0.000 0.000 0.298 99 N C -2.086 172.972 175.510 -0.754 0.000 1.076 99 N CA -1.021 51.706 53.050 -0.537 0.000 0.792 99 N CB 2.380 40.725 38.487 -0.237 0.000 1.498 99 N HN 0.465 nan 8.380 nan 0.000 0.474 100 V N 2.482 122.095 119.914 -0.501 0.000 2.777 100 V HA 0.466 4.586 4.120 0.000 0.000 0.306 100 V C -1.045 174.978 176.094 -0.118 0.000 1.112 100 V CA -0.615 61.478 62.300 -0.346 0.000 0.917 100 V CB 0.398 32.139 31.823 -0.138 0.000 1.018 100 V HN 0.811 nan 8.190 nan 0.000 0.426 101 F N 4.637 124.515 119.950 -0.120 0.000 3.079 101 F HA -0.162 4.365 4.527 0.000 0.000 0.274 101 F C 1.605 177.342 175.800 -0.105 0.000 0.940 101 F CA 1.679 59.617 58.000 -0.103 0.000 0.932 101 F CB -1.403 37.541 39.000 -0.094 0.000 0.891 101 F HN 1.337 nan 8.300 nan 0.000 0.722 102 G N -0.015 108.774 108.800 -0.018 0.000 2.249 102 G HA2 -0.237 3.723 3.960 0.000 0.000 0.273 102 G HA3 -0.237 3.723 3.960 0.000 0.000 0.273 102 G C -0.139 174.738 174.900 -0.037 0.000 1.036 102 G CA 0.364 45.444 45.100 -0.034 0.000 0.824 102 G HN 0.593 nan 8.290 nan 0.000 0.504 103 L N -0.592 120.597 121.223 -0.058 0.000 2.354 103 L HA 0.850 5.190 4.340 0.000 0.000 0.264 103 L C 0.152 176.965 176.870 -0.096 0.000 1.008 103 L CA -0.904 53.887 54.840 -0.083 0.000 0.819 103 L CB 2.496 44.489 42.059 -0.110 0.000 1.339 103 L HN 0.126 nan 8.230 nan 0.000 0.420 104 S N -0.631 115.025 115.700 -0.073 0.000 2.588 104 S HA 0.545 5.015 4.470 0.000 0.000 0.275 104 S C -1.650 172.968 174.600 0.031 0.000 1.130 104 S CA -0.672 57.559 58.200 0.052 0.000 0.855 104 S CB 1.424 64.693 63.200 0.114 0.000 1.116 104 S HN 0.374 nan 8.310 nan 0.000 0.472 105 W N 1.276 122.756 121.300 0.300 0.000 2.313 105 W HA 0.270 4.930 4.660 0.000 0.000 0.328 105 W C 1.825 178.527 176.519 0.304 0.000 1.197 105 W CA -0.314 57.184 57.345 0.256 0.000 1.235 105 W CB 0.552 30.155 29.460 0.239 0.000 1.158 105 W HN 0.849 nan 8.180 nan 0.000 0.578 106 T N -2.096 112.730 114.554 0.454 0.000 3.085 106 T HA 0.002 4.352 4.350 0.000 0.000 0.263 106 T C -0.223 174.573 174.700 0.161 0.000 1.127 106 T CA 1.136 63.416 62.100 0.301 0.000 1.103 106 T CB -0.452 68.529 68.868 0.188 0.000 0.921 106 T HN 0.527 nan 8.240 nan 0.000 0.510 107 D N -1.695 118.627 120.400 -0.130 0.000 2.871 107 D HA 0.100 4.740 4.640 0.000 0.000 0.330 107 D C 0.351 175.893 176.300 -1.263 0.000 1.364 107 D CA -0.723 52.611 54.000 -1.110 0.000 0.759 107 D CB 0.247 40.730 40.800 -0.530 0.000 1.325 107 D HN -0.041 nan 8.370 nan 0.000 0.452 108 E N -0.552 118.823 120.200 -1.376 0.000 2.112 108 E HA 0.040 4.390 4.350 0.000 0.000 0.190 108 E C 1.860 178.195 176.600 -0.441 0.000 0.979 108 E CA 0.871 56.733 56.400 -0.896 0.000 0.814 108 E CB -0.477 28.824 29.700 -0.666 0.000 0.762 108 E HN 0.558 nan 8.360 nan 0.000 0.460 109 G N 1.047 109.631 108.800 -0.359 0.000 2.653 109 G HA2 -0.111 3.849 3.960 0.000 0.000 0.212 109 G HA3 -0.111 3.849 3.960 0.000 0.000 0.212 109 G C 0.759 175.540 174.900 -0.198 0.000 1.138 109 G CA 0.075 45.050 45.100 -0.207 0.000 0.782 109 G HN 0.368 nan 8.290 nan 0.000 0.535 110 L N 0.359 121.382 121.223 -0.335 0.000 3.739 110 L HA -0.238 4.102 4.340 0.000 0.000 0.442 110 L C 1.927 178.936 176.870 0.230 0.000 1.241 110 L CA 0.236 54.786 54.840 -0.483 0.000 0.819 110 L CB -2.060 39.248 42.059 -1.252 0.000 1.679 110 L HN 0.371 nan 8.230 nan 0.000 0.889 111 S N -0.951 114.924 115.700 0.291 0.000 2.446 111 S HA 0.243 4.714 4.470 0.000 0.000 0.225 111 S C 0.862 175.724 174.600 0.438 0.000 1.016 111 S CA 0.887 59.302 58.200 0.358 0.000 0.943 111 S CB 0.327 63.625 63.200 0.163 0.000 0.786 111 S HN 0.739 nan 8.310 nan 0.000 0.508 112 G N 0.031 109.111 108.800 0.466 0.000 2.692 112 G HA2 0.591 4.551 3.960 0.000 0.000 0.291 112 G HA3 0.591 4.551 3.960 0.000 0.000 0.291 112 G C -2.051 172.958 174.900 0.181 0.000 1.423 112 G CA -0.783 44.482 45.100 0.275 0.000 0.843 112 G HN 0.263 nan 8.290 nan 0.000 0.486 113 L N 0.937 122.110 121.223 -0.083 0.000 2.333 113 L HA 0.738 5.078 4.340 0.000 0.000 0.280 113 L C 0.208 177.010 176.870 -0.114 0.000 1.004 113 L CA -1.024 53.663 54.840 -0.255 0.000 0.820 113 L CB 1.881 43.637 42.059 -0.505 0.000 1.247 113 L HN 0.592 nan 8.230 nan 0.000 0.416 114 V N 0.185 120.062 119.914 -0.063 0.000 3.158 114 V HA 0.883 5.003 4.120 0.000 0.000 0.311 114 V C 0.233 176.309 176.094 -0.030 0.000 1.181 114 V CA -1.067 61.219 62.300 -0.023 0.000 1.054 114 V CB 1.596 33.435 31.823 0.027 0.000 1.085 114 V HN 0.767 nan 8.190 nan 0.000 0.446 115 A N 0.670 123.479 122.820 -0.018 0.000 2.507 115 A HA 0.691 5.012 4.320 0.000 0.000 0.235 115 A C 0.636 178.215 177.584 -0.008 0.000 1.070 115 A CA 0.450 52.476 52.037 -0.019 0.000 0.768 115 A CB -0.309 18.683 19.000 -0.013 0.000 1.011 115 A HN 2.238 nan 8.150 nan 0.000 0.502 116 A N 1.523 124.332 122.820 -0.019 0.000 2.271 116 A HA 0.541 4.861 4.320 0.000 0.000 0.288 116 A C 0.338 177.913 177.584 -0.015 0.000 1.094 116 A CA -0.615 51.412 52.037 -0.017 0.000 0.828 116 A CB 0.197 19.170 19.000 -0.045 0.000 1.091 116 A HN 0.857 nan 8.150 nan 0.000 0.493 117 Q N 0.793 120.585 119.800 -0.013 0.000 2.349 117 Q HA 0.088 4.428 4.340 0.000 0.000 0.287 117 Q C -1.053 174.932 176.000 -0.025 0.000 1.044 117 Q CA 0.677 56.471 55.803 -0.016 0.000 0.918 117 Q CB 0.579 29.306 28.738 -0.019 0.000 1.242 117 Q HN 0.617 nan 8.270 nan 0.000 0.405 118 D N 2.809 123.197 120.400 -0.021 0.000 2.620 118 D HA 0.335 4.975 4.640 0.000 0.000 0.252 118 D C -2.160 174.128 176.300 -0.021 0.000 1.207 118 D CA -1.452 52.533 54.000 -0.024 0.000 0.884 118 D CB 1.185 41.972 40.800 -0.021 0.000 1.262 118 D HN 0.268 nan 8.370 nan 0.000 0.552 119 P HA 0.372 nan 4.420 nan 0.000 0.275 119 P C -2.579 174.700 177.300 -0.035 0.000 1.228 119 P CA -1.000 62.082 63.100 -0.031 0.000 0.786 119 P CB 0.122 31.805 31.700 -0.028 0.000 0.927 120 P HA 0.132 nan 4.420 nan 0.000 0.272 120 P C -2.062 175.211 177.300 -0.045 0.000 1.240 120 P CA -1.100 61.969 63.100 -0.051 0.000 0.791 120 P CB -0.345 31.312 31.700 -0.072 0.000 0.978 121 P HA 0.232 nan 4.420 nan 0.000 0.255 121 P C -0.117 177.159 177.300 -0.040 0.000 1.248 121 P CA 0.593 63.667 63.100 -0.043 0.000 0.807 121 P CB 0.326 31.996 31.700 -0.051 0.000 1.150 122 A N -0.679 122.115 122.820 -0.043 0.000 2.583 122 A HA 0.730 5.051 4.320 0.000 0.000 0.289 122 A C -1.000 176.556 177.584 -0.047 0.000 1.151 122 A CA -0.546 51.470 52.037 -0.034 0.000 0.695 122 A CB 0.676 19.665 19.000 -0.018 0.000 1.290 122 A HN 0.031 nan 8.150 nan 0.000 0.419 123 A N 0.974 123.773 122.820 -0.035 0.000 2.477 123 A HA 0.575 4.895 4.320 0.000 0.000 0.246 123 A C -2.367 175.171 177.584 -0.076 0.000 1.078 123 A CA -0.812 51.195 52.037 -0.049 0.000 0.770 123 A CB -0.896 18.085 19.000 -0.031 0.000 1.011 123 A HN 0.468 nan 8.150 nan 0.000 0.494 124 P HA 0.016 nan 4.420 nan 0.000 0.264 124 P C -0.461 176.750 177.300 -0.148 0.000 1.193 124 P CA 0.318 63.309 63.100 -0.182 0.000 0.763 124 P CB 0.060 31.633 31.700 -0.212 0.000 0.810 125 Y N 3.652 123.760 120.300 -0.320 0.000 2.712 125 Y HA -0.039 4.511 4.550 0.000 0.000 0.333 125 Y C 0.350 176.139 175.900 -0.185 0.000 1.225 125 Y CA 0.472 58.454 58.100 -0.196 0.000 1.499 125 Y CB 0.303 38.644 38.460 -0.198 0.000 1.288 125 Y HN 0.363 nan 8.280 nan 0.000 0.575 126 Q N 8.286 127.629 119.800 -0.761 0.000 2.372 126 Q HA 0.332 4.673 4.340 0.000 0.000 0.259 126 Q C -2.370 173.070 176.000 -0.934 0.000 0.993 126 Q CA -2.134 53.259 55.803 -0.684 0.000 0.854 126 Q CB 1.135 29.674 28.738 -0.333 0.000 1.231 126 Q HN 0.547 nan 8.270 nan 0.000 0.462 127 P HA -0.014 nan 4.420 nan 0.000 0.268 127 P C -1.108 176.284 177.300 0.154 0.000 1.208 127 P CA 0.169 63.176 63.100 -0.155 0.000 0.777 127 P CB 0.601 32.381 31.700 0.134 0.000 0.875 128 A N 1.575 124.538 122.820 0.238 0.000 2.325 128 A HA 0.527 4.847 4.320 0.000 0.000 0.333 128 A C 0.039 177.576 177.584 -0.079 0.000 1.155 128 A CA -0.448 51.677 52.037 0.146 0.000 0.814 128 A CB 0.808 19.857 19.000 0.082 0.000 1.206 128 A HN 0.413 nan 8.150 nan 0.000 0.482 129 S N 1.405 116.700 115.700 -0.675 0.000 2.499 129 S HA 0.449 4.919 4.470 0.000 0.000 0.275 129 S C 0.716 174.973 174.600 -0.571 0.000 1.257 129 S CA 0.529 58.072 58.200 -1.096 0.000 1.050 129 S CB -0.217 62.167 63.200 -1.360 0.000 0.937 129 S HN 2.433 nan 8.310 nan 0.000 0.490 130 A N 3.126 125.565 122.820 -0.635 0.000 2.475 130 A HA -0.159 4.162 4.320 0.000 0.000 0.295 130 A C 0.024 177.228 177.584 -0.634 0.000 1.457 130 A CA 1.074 52.609 52.037 -0.837 0.000 0.734 130 A CB -1.987 16.807 19.000 -0.344 0.000 1.118 130 A HN 0.854 nan 8.150 nan 0.000 0.400 131 Q N -1.177 118.204 119.800 -0.699 0.000 2.394 131 Q HA 0.706 5.046 4.340 0.000 0.000 0.273 131 Q C -0.772 175.126 176.000 -0.170 0.000 1.089 131 Q CA -0.419 55.258 55.803 -0.210 0.000 0.812 131 Q CB 1.042 29.753 28.738 -0.044 0.000 1.353 131 Q HN 0.581 nan 8.270 nan 0.000 0.438 132 W N 1.285 122.714 121.300 0.215 0.000 2.438 132 W HA 0.664 5.324 4.660 0.000 0.000 0.324 132 W C -0.243 176.411 176.519 0.225 0.000 1.119 132 W CA -0.299 57.189 57.345 0.238 0.000 1.221 132 W CB 1.795 31.366 29.460 0.185 0.000 1.253 132 W HN 0.415 nan 8.180 nan 0.000 0.555 133 S N 1.366 117.398 115.700 0.555 0.000 2.542 133 S HA 0.186 4.657 4.470 0.000 0.000 0.293 133 S C -1.505 173.349 174.600 0.422 0.000 1.089 133 S CA -0.791 57.670 58.200 0.436 0.000 0.961 133 S CB 1.770 65.224 63.200 0.424 0.000 1.062 133 S HN 0.393 nan 8.310 nan 0.000 0.483 134 D N 1.669 122.253 120.400 0.307 0.000 2.373 134 D HA 0.299 4.939 4.640 0.000 0.000 0.227 134 D C 0.762 177.223 176.300 0.267 0.000 1.091 134 D CA -0.473 53.684 54.000 0.262 0.000 0.840 134 D CB 0.639 41.549 40.800 0.184 0.000 1.060 134 D HN 0.404 nan 8.370 nan 0.000 0.502 135 L N 3.275 124.677 121.223 0.299 0.000 2.376 135 L HA -0.035 4.305 4.340 0.000 0.000 0.219 135 L C 1.948 179.032 176.870 0.356 0.000 1.133 135 L CA 0.473 55.519 54.840 0.343 0.000 0.816 135 L CB -0.080 42.131 42.059 0.253 0.000 0.933 135 L HN 0.463 nan 8.230 nan 0.000 0.449 136 L N -0.477 120.876 121.223 0.218 0.000 2.552 136 L HA -0.049 4.291 4.340 0.000 0.000 0.227 136 L C 1.736 178.696 176.870 0.151 0.000 1.146 136 L CA -0.000 54.936 54.840 0.161 0.000 0.858 136 L CB -0.557 41.559 42.059 0.095 0.000 0.969 136 L HN 0.278 nan 8.230 nan 0.000 0.451 137 N N -0.252 118.547 118.700 0.166 0.000 2.430 137 N HA -0.194 4.547 4.740 0.000 0.000 0.186 137 N C 0.315 175.898 175.510 0.121 0.000 1.032 137 N CA 0.792 53.917 53.050 0.126 0.000 0.893 137 N CB -0.221 38.342 38.487 0.127 0.000 0.957 137 N HN 0.235 nan 8.380 nan 0.000 0.442 138 Y N 1.709 122.001 120.300 -0.014 0.000 2.452 138 Y HA 0.204 4.755 4.550 0.000 0.000 0.348 138 Y C -1.564 174.260 175.900 -0.126 0.000 0.985 138 Y CA -2.586 55.413 58.100 -0.167 0.000 1.214 138 Y CB 1.118 39.320 38.460 -0.430 0.000 1.136 138 Y HN -0.001 nan 8.280 nan 0.000 0.523 139 P HA -0.249 nan 4.420 nan 0.000 0.215 139 P C 1.602 178.718 177.300 -0.308 0.000 1.157 139 P CA 1.775 64.690 63.100 -0.308 0.000 0.874 139 P CB 0.266 31.771 31.700 -0.325 0.000 0.790 140 R N -1.263 118.904 120.500 -0.555 0.000 2.113 140 R HA -0.198 4.142 4.340 0.000 0.000 0.244 140 R C 2.160 178.440 176.300 -0.034 0.000 1.142 140 R CA 1.831 57.723 56.100 -0.347 0.000 0.953 140 R CB -1.001 28.992 30.300 -0.512 0.000 0.860 140 R HN 0.317 nan 8.270 nan 0.000 0.438 141 W N -0.179 121.050 121.300 -0.118 0.000 2.409 141 W HA 0.064 4.724 4.660 0.000 0.000 0.299 141 W C 2.461 178.882 176.519 -0.163 0.000 1.203 141 W CA 0.454 57.731 57.345 -0.112 0.000 1.298 141 W CB -1.235 28.200 29.460 -0.042 0.000 1.127 141 W HN 0.183 nan 8.180 nan 0.000 0.528 142 A N 1.429 124.305 122.820 0.092 0.000 1.884 142 A HA -0.277 4.043 4.320 0.000 0.000 0.219 142 A C 1.814 179.379 177.584 -0.033 0.000 1.197 142 A CA 2.399 54.436 52.037 -0.000 0.000 0.637 142 A CB -0.995 18.000 19.000 -0.008 0.000 0.827 142 A HN 0.348 nan 8.150 nan 0.000 0.450 143 N N -0.534 118.140 118.700 -0.042 0.000 2.415 143 N HA -0.004 4.736 4.740 0.000 0.000 0.176 143 N C 0.164 175.645 175.510 -0.050 0.000 1.042 143 N CA 0.524 53.543 53.050 -0.052 0.000 0.902 143 N CB 0.038 38.486 38.487 -0.066 0.000 0.986 143 N HN 0.528 nan 8.380 nan 0.000 0.447 144 R N 0.667 121.145 120.500 -0.038 0.000 2.494 144 R HA 0.338 4.678 4.340 0.000 0.000 0.284 144 R C 0.551 176.816 176.300 -0.060 0.000 1.525 144 R CA -0.255 55.821 56.100 -0.041 0.000 1.460 144 R CB 1.356 31.638 30.300 -0.029 0.000 1.134 144 R HN -0.010 nan 8.270 nan 0.000 0.592 145 R N 1.747 122.183 120.500 -0.106 0.000 2.115 145 R HA -0.083 4.258 4.340 0.000 0.000 0.226 145 R C 1.997 178.155 176.300 -0.237 0.000 1.100 145 R CA 1.264 57.244 56.100 -0.199 0.000 0.980 145 R CB 0.226 30.412 30.300 -0.191 0.000 0.875 145 R HN 0.407 nan 8.270 nan 0.000 0.445 146 R N -0.077 120.330 120.500 -0.154 0.000 2.285 146 R HA -0.074 4.266 4.340 0.000 0.000 0.213 146 R C 1.125 177.320 176.300 -0.175 0.000 1.068 146 R CA 1.358 57.372 56.100 -0.144 0.000 1.004 146 R CB -0.144 30.103 30.300 -0.089 0.000 0.873 146 R HN 0.300 nan 8.270 nan 0.000 0.467 147 E N 0.573 120.664 120.200 -0.182 0.000 2.158 147 E HA -0.110 4.240 4.350 0.000 0.000 0.191 147 E C 1.672 177.994 176.600 -0.463 0.000 0.982 147 E CA 0.604 56.882 56.400 -0.204 0.000 0.823 147 E CB 0.063 29.746 29.700 -0.028 0.000 0.766 147 E HN 0.215 nan 8.360 nan 0.000 0.468 148 L N 1.300 122.124 121.223 -0.665 0.000 2.044 148 L HA -0.148 4.192 4.340 0.000 0.000 0.205 148 L C 1.992 178.510 176.870 -0.587 0.000 1.075 148 L CA 1.746 55.971 54.840 -1.026 0.000 0.747 148 L CB -0.394 40.971 42.059 -1.157 0.000 0.903 148 L HN 0.021 nan 8.230 nan 0.000 0.435 149 Q N -1.292 118.269 119.800 -0.398 0.000 2.124 149 Q HA -0.202 4.138 4.340 0.000 0.000 0.202 149 Q C 2.391 178.328 176.000 -0.105 0.000 0.977 149 Q CA 1.684 57.398 55.803 -0.149 0.000 0.850 149 Q CB -0.313 28.370 28.738 -0.091 0.000 0.901 149 Q HN 0.530 nan 8.270 nan 0.000 0.429 150 S N 0.560 116.154 115.700 -0.175 0.000 2.359 150 S HA -0.184 4.287 4.470 0.000 0.000 0.224 150 S C 1.726 176.213 174.600 -0.188 0.000 1.035 150 S CA 1.450 59.556 58.200 -0.156 0.000 1.018 150 S CB 0.038 63.132 63.200 -0.176 0.000 0.876 150 S HN 0.242 nan 8.310 nan 0.000 0.448 151 K N -1.086 119.097 120.400 -0.360 0.000 2.228 151 K HA 0.016 4.336 4.320 0.000 0.000 0.202 151 K C 1.889 178.348 176.600 -0.235 0.000 1.051 151 K CA 0.787 56.795 56.287 -0.465 0.000 0.960 151 K CB -0.245 31.631 32.500 -1.039 0.000 0.743 151 K HN 0.417 nan 8.250 nan 0.000 0.458 152 Y N 1.997 122.124 120.300 -0.287 0.000 2.224 152 Y HA -0.135 4.416 4.550 0.000 0.000 0.289 152 Y C -1.226 174.674 175.900 -0.000 0.000 1.146 152 Y CA 0.982 59.004 58.100 -0.129 0.000 1.182 152 Y CB -0.760 37.686 38.460 -0.023 0.000 0.983 152 Y HN 0.037 nan 8.280 nan 0.000 0.524 153 P HA -0.214 nan 4.420 nan 0.000 0.216 153 P C 1.762 179.030 177.300 -0.052 0.000 1.150 153 P CA 1.433 64.501 63.100 -0.053 0.000 0.843 153 P CB -0.094 31.610 31.700 0.008 0.000 0.787 154 L N -1.093 120.133 121.223 0.005 0.000 2.027 154 L HA -0.106 4.234 4.340 0.000 0.000 0.206 154 L C 2.223 179.137 176.870 0.075 0.000 1.074 154 L CA 1.734 56.639 54.840 0.110 0.000 0.745 154 L CB -1.350 40.841 42.059 0.221 0.000 0.898 154 L HN -0.121 nan 8.230 nan 0.000 0.433 155 L N -1.544 119.622 121.223 -0.096 0.000 2.093 155 L HA -0.197 4.143 4.340 0.000 0.000 0.208 155 L C 2.400 179.239 176.870 -0.052 0.000 1.085 155 L CA 0.600 55.408 54.840 -0.053 0.000 0.755 155 L CB -0.632 41.386 42.059 -0.068 0.000 0.904 155 L HN 0.309 nan 8.230 nan 0.000 0.435 156 L N 0.354 121.336 121.223 -0.400 0.000 2.046 156 L HA -0.200 4.140 4.340 0.000 0.000 0.208 156 L C 2.751 179.618 176.870 -0.005 0.000 1.077 156 L CA 1.668 56.343 54.840 -0.276 0.000 0.747 156 L CB -0.678 41.145 42.059 -0.393 0.000 0.896 156 L HN 0.167 nan 8.230 nan 0.000 0.432 157 R N -1.042 119.476 120.500 0.031 0.000 2.103 157 R HA -0.170 4.170 4.340 0.000 0.000 0.242 157 R C 2.124 178.499 176.300 0.124 0.000 1.142 157 R CA 1.927 58.084 56.100 0.094 0.000 0.960 157 R CB -0.296 30.070 30.300 0.109 0.000 0.858 157 R HN 0.442 nan 8.270 nan 0.000 0.439 158 S N -0.270 115.543 115.700 0.188 0.000 2.368 158 S HA -0.109 4.361 4.470 0.000 0.000 0.225 158 S C 1.880 176.517 174.600 0.061 0.000 1.030 158 S CA 1.720 60.039 58.200 0.199 0.000 0.999 158 S CB -0.293 63.184 63.200 0.462 0.000 0.844 158 S HN 0.461 nan 8.310 nan 0.000 0.459 159 T N 2.890 117.450 114.554 0.010 0.000 2.746 159 T HA 0.027 4.377 4.350 0.000 0.000 0.267 159 T C 1.733 176.451 174.700 0.031 0.000 1.039 159 T CA 1.029 63.066 62.100 -0.105 0.000 1.142 159 T CB -0.437 68.383 68.868 -0.080 0.000 0.866 159 T HN 0.248 nan 8.240 nan 0.000 0.444 160 L N 0.275 121.565 121.223 0.112 0.000 2.056 160 L HA -0.024 4.316 4.340 0.000 0.000 0.207 160 L C 2.427 179.318 176.870 0.034 0.000 1.078 160 L CA 0.713 55.631 54.840 0.129 0.000 0.749 160 L CB -0.547 41.609 42.059 0.161 0.000 0.901 160 L HN 0.217 nan 8.230 nan 0.000 0.433 161 L N -0.597 120.648 121.223 0.036 0.000 2.083 161 L HA -0.163 4.177 4.340 0.000 0.000 0.209 161 L C 2.544 179.437 176.870 0.039 0.000 1.083 161 L CA 1.736 56.582 54.840 0.010 0.000 0.752 161 L CB -0.387 41.706 42.059 0.056 0.000 0.899 161 L HN 0.095 nan 8.230 nan 0.000 0.433 162 S N -0.405 115.333 115.700 0.064 0.000 2.387 162 S HA -0.029 4.441 4.470 0.000 0.000 0.226 162 S C 2.049 176.755 174.600 0.177 0.000 1.026 162 S CA 0.881 59.137 58.200 0.094 0.000 0.972 162 S CB -0.448 62.736 63.200 -0.027 0.000 0.814 162 S HN 0.629 nan 8.310 nan 0.000 0.477 163 A N 1.571 124.462 122.820 0.118 0.000 1.968 163 A HA 0.152 4.472 4.320 0.000 0.000 0.217 163 A C 1.025 178.553 177.584 -0.095 0.000 1.169 163 A CA 0.745 52.764 52.037 -0.031 0.000 0.638 163 A CB -0.360 18.636 19.000 -0.006 0.000 0.812 163 A HN 0.314 nan 8.150 nan 0.000 0.446 164 M N 0.061 119.593 119.600 -0.113 0.000 2.248 164 M HA 0.080 4.560 4.480 0.000 0.000 0.345 164 M C 1.326 177.578 176.300 -0.080 0.000 1.243 164 M CA 0.148 55.361 55.300 -0.143 0.000 1.090 164 M CB 0.119 32.624 32.600 -0.159 0.000 1.683 164 M HN 0.404 nan 8.290 nan 0.000 0.450 165 R N 1.518 121.968 120.500 -0.083 0.000 2.148 165 R HA 0.054 4.394 4.340 0.000 0.000 0.223 165 R C 0.729 177.003 176.300 -0.044 0.000 1.088 165 R CA 1.415 57.488 56.100 -0.045 0.000 0.985 165 R CB 0.363 30.640 30.300 -0.039 0.000 0.880 165 R HN 0.820 nan 8.270 nan 0.000 0.451 166 A N -0.789 121.977 122.820 -0.090 0.000 2.905 166 A HA 0.532 4.852 4.320 0.000 0.000 0.193 166 A C 0.398 177.835 177.584 -0.244 0.000 1.268 166 A CA 0.089 52.064 52.037 -0.104 0.000 1.416 166 A CB -0.619 18.308 19.000 -0.121 0.000 1.753 166 A HN 0.304 nan 8.150 nan 0.000 0.583 167 G N -0.260 108.259 108.800 -0.468 0.000 2.621 167 G HA2 0.505 4.465 3.960 0.000 0.000 0.271 167 G HA3 0.505 4.465 3.960 0.000 0.000 0.271 167 G C -2.744 171.708 174.900 -0.747 0.000 1.236 167 G CA -1.026 43.349 45.100 -1.209 0.000 0.958 167 G HN 0.385 nan 8.290 nan 0.000 0.512 168 P HA 0.202 nan 4.420 nan 0.000 0.272 168 P C -0.171 177.200 177.300 0.118 0.000 1.223 168 P CA -0.433 62.526 63.100 -0.235 0.000 0.784 168 P CB 1.147 32.761 31.700 -0.143 0.000 0.923 169 V N 3.918 123.881 119.914 0.081 0.000 2.567 169 V HA 0.299 4.419 4.120 0.000 0.000 0.289 169 V C -0.281 175.910 176.094 0.163 0.000 1.049 169 V CA -0.596 61.799 62.300 0.159 0.000 0.969 169 V CB 0.402 32.284 31.823 0.099 0.000 0.995 169 V HN 0.280 nan 8.190 nan 0.000 0.471 170 L N 6.019 127.327 121.223 0.142 0.000 2.317 170 L HA 0.430 4.770 4.340 0.000 0.000 0.281 170 L C -1.016 175.984 176.870 0.217 0.000 1.024 170 L CA -0.765 54.103 54.840 0.047 0.000 0.810 170 L CB 1.690 43.597 42.059 -0.254 0.000 1.240 170 L HN 0.713 nan 8.230 nan 0.000 0.427 171 Y N 3.543 123.910 120.300 0.112 0.000 2.535 171 Y HA 0.377 4.927 4.550 0.000 0.000 0.349 171 Y C -0.521 175.344 175.900 -0.059 0.000 0.992 171 Y CA -0.564 57.579 58.100 0.072 0.000 1.248 171 Y CB 0.720 39.313 38.460 0.222 0.000 1.124 171 Y HN 0.214 nan 8.280 nan 0.000 0.520 172 V N 6.728 126.373 119.914 -0.449 0.000 2.313 172 V HA 0.311 4.431 4.120 0.000 0.000 0.278 172 V C -0.504 175.497 176.094 -0.155 0.000 1.017 172 V CA -0.799 61.372 62.300 -0.214 0.000 0.823 172 V CB 1.169 32.853 31.823 -0.232 0.000 1.010 172 V HN 0.745 nan 8.190 nan 0.000 0.443 173 E N 3.712 124.014 120.200 0.169 0.000 2.244 173 E HA 0.537 4.888 4.350 0.000 0.000 0.260 173 E C -0.513 176.369 176.600 0.471 0.000 0.884 173 E CA -0.451 56.153 56.400 0.340 0.000 0.777 173 E CB 1.803 31.775 29.700 0.453 0.000 1.197 173 E HN 0.780 nan 8.360 nan 0.000 0.416 174 T N 1.194 115.957 114.554 0.350 0.000 2.925 174 T HA 0.768 5.118 4.350 0.000 0.000 0.285 174 T C -0.580 174.338 174.700 0.363 0.000 1.021 174 T CA -0.736 61.497 62.100 0.222 0.000 1.042 174 T CB 0.639 69.583 68.868 0.126 0.000 1.037 174 T HN 0.533 nan 8.240 nan 0.000 0.481 175 W N -0.044 121.310 121.300 0.090 0.000 3.083 175 W HA 0.663 5.323 4.660 0.000 0.000 0.333 175 W C -3.114 173.438 176.519 0.055 0.000 1.217 175 W CA -3.061 54.317 57.345 0.054 0.000 1.170 175 W CB -0.371 29.114 29.460 0.042 0.000 1.437 175 W HN 0.478 nan 8.180 nan 0.000 0.557 176 P HA -0.149 nan 4.420 nan 0.000 0.252 176 P C -0.103 177.280 177.300 0.139 0.000 1.126 176 P CA 0.869 64.061 63.100 0.154 0.000 0.777 176 P CB -0.252 31.537 31.700 0.148 0.000 0.711 177 N N 3.488 122.214 118.700 0.044 0.000 2.882 177 N HA -0.257 4.483 4.740 0.000 0.000 0.310 177 N C 0.894 176.376 175.510 -0.048 0.000 1.127 177 N CA 1.047 54.095 53.050 -0.004 0.000 0.773 177 N CB -0.680 37.829 38.487 0.036 0.000 1.007 177 N HN 0.480 nan 8.380 nan 0.000 0.594 178 M N 0.143 119.549 119.600 -0.324 0.000 2.160 178 M HA 0.033 4.513 4.480 0.000 0.000 0.264 178 M C 0.676 176.890 176.300 -0.144 0.000 1.073 178 M CA 1.227 56.157 55.300 -0.616 0.000 1.142 178 M CB -0.147 31.509 32.600 -1.572 0.000 1.358 178 M HN 0.356 nan 8.290 nan 0.000 0.422 179 I N 3.330 123.839 120.570 -0.101 0.000 2.213 179 I HA 0.154 4.324 4.170 0.000 0.000 0.295 179 I C -0.244 175.969 176.117 0.160 0.000 1.172 179 I CA -0.508 60.831 61.300 0.065 0.000 1.443 179 I CB -0.709 37.271 38.000 -0.032 0.000 1.491 179 I HN 0.364 nan 8.210 nan 0.000 0.652 180 S N 2.249 118.055 115.700 0.176 0.000 2.851 180 S HA 0.907 5.378 4.470 0.000 0.000 0.313 180 S C 0.357 175.066 174.600 0.182 0.000 1.163 180 S CA -0.347 57.957 58.200 0.174 0.000 0.850 180 S CB 1.402 64.683 63.200 0.135 0.000 1.245 180 S HN 0.722 nan 8.310 nan 0.000 0.558 181 G N 1.250 110.140 108.800 0.149 0.000 2.574 181 G HA2 -0.307 3.654 3.960 0.000 0.000 0.282 181 G HA3 -0.307 3.654 3.960 0.000 0.000 0.282 181 G C 0.403 175.389 174.900 0.143 0.000 1.257 181 G CA 0.627 45.806 45.100 0.131 0.000 0.956 181 G HN 0.835 nan 8.290 nan 0.000 0.560 182 R N -0.574 120.001 120.500 0.125 0.000 2.237 182 R HA 0.078 4.419 4.340 0.000 0.000 0.219 182 R C 2.644 179.053 176.300 0.182 0.000 1.080 182 R CA 1.262 57.440 56.100 0.131 0.000 0.995 182 R CB -0.291 30.062 30.300 0.088 0.000 0.875 182 R HN 0.399 nan 8.270 nan 0.000 0.462 183 L N 0.059 121.401 121.223 0.198 0.000 2.109 183 L HA 0.034 4.374 4.340 0.000 0.000 0.207 183 L C 2.054 179.179 176.870 0.425 0.000 1.086 183 L CA 1.624 56.623 54.840 0.265 0.000 0.760 183 L CB -0.379 41.828 42.059 0.246 0.000 0.910 183 L HN 0.045 nan 8.230 nan 0.000 0.437 184 A N -0.944 122.094 122.820 0.362 0.000 2.015 184 A HA -0.164 4.156 4.320 0.000 0.000 0.219 184 A C 1.899 179.701 177.584 0.364 0.000 1.163 184 A CA 1.645 53.925 52.037 0.404 0.000 0.646 184 A CB -0.634 18.581 19.000 0.360 0.000 0.806 184 A HN 0.498 nan 8.150 nan 0.000 0.448 185 D N -1.542 119.023 120.400 0.276 0.000 2.149 185 D HA -0.132 4.508 4.640 0.000 0.000 0.201 185 D C 1.513 177.929 176.300 0.194 0.000 0.972 185 D CA 0.927 55.051 54.000 0.206 0.000 0.835 185 D CB -0.387 40.508 40.800 0.158 0.000 0.966 185 D HN 0.746 nan 8.370 nan 0.000 0.476 186 W N 0.355 121.668 121.300 0.022 0.000 2.363 186 W HA -0.153 4.507 4.660 0.000 0.000 0.296 186 W C 1.654 178.067 176.519 -0.176 0.000 1.212 186 W CA 1.046 58.342 57.345 -0.081 0.000 1.260 186 W CB -0.433 28.948 29.460 -0.132 0.000 1.131 186 W HN -0.169 nan 8.180 nan 0.000 0.530 187 F N -0.442 119.487 119.950 -0.034 0.000 2.407 187 F HA -0.112 4.415 4.527 0.000 0.000 0.299 187 F C 2.265 177.811 175.800 -0.422 0.000 1.097 187 F CA 1.389 59.079 58.000 -0.517 0.000 1.422 187 F CB -0.714 37.656 39.000 -1.049 0.000 1.067 187 F HN -0.101 nan 8.300 nan 0.000 0.539 188 M N -0.229 119.442 119.600 0.118 0.000 2.334 188 M HA -0.064 4.417 4.480 0.000 0.000 0.266 188 M C 2.311 178.652 176.300 0.068 0.000 1.082 188 M CA 1.346 56.784 55.300 0.230 0.000 1.141 188 M CB -0.522 32.188 32.600 0.184 0.000 1.380 188 M HN 0.019 nan 8.290 nan 0.000 0.440 189 S N -0.948 114.734 115.700 -0.031 0.000 2.561 189 S HA -0.004 4.466 4.470 0.000 0.000 0.225 189 S C 1.187 175.688 174.600 -0.165 0.000 0.977 189 S CA 0.392 58.541 58.200 -0.083 0.000 0.926 189 S CB -0.335 62.811 63.200 -0.090 0.000 0.769 189 S HN 0.545 nan 8.310 nan 0.000 0.533 190 Q N 0.727 120.384 119.800 -0.239 0.000 2.268 190 Q HA 0.276 4.616 4.340 0.000 0.000 0.289 190 Q C -1.233 174.722 176.000 -0.075 0.000 0.893 190 Q CA -0.334 55.296 55.803 -0.289 0.000 1.057 190 Q CB 0.068 28.425 28.738 -0.634 0.000 1.173 190 Q HN 0.712 nan 8.270 nan 0.000 0.449 191 Y N 0.215 120.466 120.300 -0.082 0.000 2.359 191 Y HA 0.324 4.874 4.550 0.000 0.000 0.330 191 Y C 1.444 177.336 175.900 -0.014 0.000 1.143 191 Y CA 1.407 59.502 58.100 -0.008 0.000 1.318 191 Y CB 0.784 39.267 38.460 0.039 0.000 1.234 191 Y HN 0.563 nan 8.280 nan 0.000 0.522 192 G N 3.421 111.818 108.800 -0.671 0.000 2.175 192 G HA2 -0.359 3.601 3.960 0.000 0.000 0.265 192 G HA3 -0.359 3.601 3.960 0.000 0.000 0.265 192 G C 0.048 174.798 174.900 -0.250 0.000 0.979 192 G CA 0.334 45.129 45.100 -0.509 0.000 0.663 192 G HN 0.655 nan 8.290 nan 0.000 0.533 193 N N 0.523 119.121 118.700 -0.170 0.000 2.467 193 N HA 0.289 5.029 4.740 0.000 0.000 0.262 193 N C 0.197 175.742 175.510 0.057 0.000 1.234 193 N CA -0.338 52.685 53.050 -0.045 0.000 0.952 193 N CB 0.377 38.839 38.487 -0.042 0.000 1.158 193 N HN 0.473 nan 8.380 nan 0.000 0.463 194 N N 1.225 119.978 118.700 0.088 0.000 2.444 194 N HA -0.005 4.735 4.740 0.000 0.000 0.271 194 N C 0.759 176.373 175.510 0.173 0.000 1.069 194 N CA -0.268 52.880 53.050 0.163 0.000 0.965 194 N CB 0.504 39.054 38.487 0.104 0.000 1.092 194 N HN 0.416 nan 8.380 nan 0.000 0.476 195 F N 5.098 125.082 119.950 0.056 0.000 2.043 195 F HA -0.281 4.246 4.527 0.000 0.000 0.297 195 F C 1.823 177.523 175.800 -0.167 0.000 1.118 195 F CA 1.694 59.581 58.000 -0.187 0.000 1.202 195 F CB -0.494 38.113 39.000 -0.655 0.000 0.965 195 F HN 0.366 nan 8.300 nan 0.000 0.482 196 V N 0.593 120.293 119.914 -0.357 0.000 2.380 196 V HA -0.357 3.763 4.120 0.000 0.000 0.251 196 V C 2.136 178.060 176.094 -0.284 0.000 1.063 196 V CA 2.394 64.453 62.300 -0.403 0.000 1.055 196 V CB -0.935 30.816 31.823 -0.121 0.000 0.657 196 V HN 0.485 nan 8.190 nan 0.000 0.455 197 D N -0.748 119.559 120.400 -0.154 0.000 2.183 197 D HA -0.146 4.494 4.640 0.000 0.000 0.203 197 D C 2.135 178.364 176.300 -0.119 0.000 0.969 197 D CA 1.218 55.157 54.000 -0.102 0.000 0.842 197 D CB -0.119 40.655 40.800 -0.045 0.000 0.957 197 D HN 0.397 nan 8.370 nan 0.000 0.484 198 M N -0.534 118.981 119.600 -0.143 0.000 2.117 198 M HA -0.132 4.348 4.480 0.000 0.000 0.262 198 M C 2.352 178.581 176.300 -0.118 0.000 1.065 198 M CA 0.965 56.196 55.300 -0.115 0.000 1.114 198 M CB -0.298 32.262 32.600 -0.066 0.000 1.361 198 M HN 0.212 nan 8.290 nan 0.000 0.408 199 C N 0.250 119.375 119.300 -0.291 0.000 2.446 199 C HA -0.053 4.407 4.460 0.000 0.000 0.277 199 C C 3.083 177.966 174.990 -0.178 0.000 1.275 199 C CA 0.979 59.823 59.018 -0.290 0.000 1.727 199 C CB -1.316 26.108 27.740 -0.527 0.000 2.010 199 C HN 0.642 nan 8.230 nan 0.000 0.486 200 A N 0.094 122.815 122.820 -0.164 0.000 1.969 200 A HA -0.172 4.148 4.320 0.000 0.000 0.218 200 A C 2.298 179.837 177.584 -0.074 0.000 1.169 200 A CA 1.366 53.341 52.037 -0.104 0.000 0.635 200 A CB -0.573 18.375 19.000 -0.086 0.000 0.810 200 A HN 0.646 nan 8.150 nan 0.000 0.445 201 R N -0.724 119.739 120.500 -0.063 0.000 2.073 201 R HA 0.041 4.381 4.340 0.000 0.000 0.229 201 R C 1.972 178.247 176.300 -0.041 0.000 1.120 201 R CA 1.116 57.196 56.100 -0.032 0.000 0.967 201 R CB -0.285 30.010 30.300 -0.009 0.000 0.862 201 R HN 0.530 nan 8.270 nan 0.000 0.436 202 L N -0.247 120.952 121.223 -0.041 0.000 2.027 202 L HA -0.135 4.205 4.340 0.000 0.000 0.206 202 L C 2.214 178.972 176.870 -0.187 0.000 1.074 202 L CA 1.438 56.209 54.840 -0.115 0.000 0.745 202 L CB -0.327 41.695 42.059 -0.061 0.000 0.898 202 L HN 0.193 nan 8.230 nan 0.000 0.433 203 T N -1.210 113.267 114.554 -0.129 0.000 2.869 203 T HA -0.283 4.067 4.350 0.000 0.000 0.270 203 T C 1.772 176.409 174.700 -0.104 0.000 1.082 203 T CA 1.328 63.363 62.100 -0.110 0.000 1.123 203 T CB -0.089 68.732 68.868 -0.078 0.000 0.856 203 T HN 0.315 nan 8.240 nan 0.000 0.499 204 Q N -0.408 119.328 119.800 -0.106 0.000 2.297 204 Q HA 0.143 4.483 4.340 0.000 0.000 0.203 204 Q C 2.500 178.433 176.000 -0.112 0.000 0.931 204 Q CA 0.437 56.192 55.803 -0.080 0.000 0.885 204 Q CB 0.315 29.024 28.738 -0.049 0.000 0.991 204 Q HN 0.332 nan 8.270 nan 0.000 0.498 205 S N -0.587 114.991 115.700 -0.202 0.000 2.402 205 S HA -0.108 4.362 4.470 0.000 0.000 0.229 205 S C 1.515 175.891 174.600 -0.373 0.000 1.021 205 S CA 0.861 58.881 58.200 -0.301 0.000 0.974 205 S CB -0.032 62.852 63.200 -0.527 0.000 0.800 205 S HN 0.482 nan 8.310 nan 0.000 0.484 206 C N 1.920 120.991 119.300 -0.381 0.000 2.573 206 C HA 0.252 4.712 4.460 0.000 0.000 0.273 206 C C 2.519 177.454 174.990 -0.092 0.000 1.346 206 C CA -0.485 58.391 59.018 -0.237 0.000 1.702 206 C CB -1.766 25.843 27.740 -0.218 0.000 1.751 206 C HN 0.480 nan 8.230 nan 0.000 0.583 207 S N 2.890 118.545 115.700 -0.074 0.000 2.363 207 S HA -0.155 4.315 4.470 0.000 0.000 0.218 207 S C 0.740 175.330 174.600 -0.016 0.000 1.035 207 S CA 1.515 59.697 58.200 -0.031 0.000 1.043 207 S CB -0.579 62.610 63.200 -0.019 0.000 0.986 207 S HN 0.902 nan 8.310 nan 0.000 0.423 208 N N 2.109 120.806 118.700 -0.004 0.000 2.421 208 N HA 0.164 4.905 4.740 0.000 0.000 0.260 208 N C 0.653 176.170 175.510 0.012 0.000 1.173 208 N CA -0.071 52.980 53.050 0.002 0.000 0.960 208 N CB 0.010 38.504 38.487 0.011 0.000 1.273 208 N HN 0.036 nan 8.380 nan 0.000 0.497 209 M N 1.199 120.798 119.600 -0.002 0.000 4.029 209 M HA -0.158 4.322 4.480 0.000 0.000 0.292 209 M C -1.122 175.206 176.300 0.046 0.000 1.018 209 M CA 1.346 56.650 55.300 0.007 0.000 1.040 209 M CB -2.434 30.159 32.600 -0.012 0.000 1.213 209 M HN 0.404 nan 8.290 nan 0.000 0.652 210 P HA -0.101 nan 4.420 nan 0.000 0.169 210 P C -1.149 176.201 177.300 0.084 0.000 0.878 210 P CA 0.521 63.647 63.100 0.044 0.000 0.999 210 P CB -0.647 31.073 31.700 0.033 0.000 1.234 211 V N 3.666 123.618 119.914 0.063 0.000 2.349 211 V HA 0.265 4.385 4.120 0.000 0.000 0.284 211 V C 0.496 176.605 176.094 0.024 0.000 1.014 211 V CA -0.427 61.917 62.300 0.073 0.000 0.826 211 V CB 1.639 33.503 31.823 0.068 0.000 1.009 211 V HN 0.246 nan 8.190 nan 0.000 0.431 212 E N 5.989 126.191 120.200 0.004 0.000 2.191 212 E HA 0.498 4.849 4.350 0.000 0.000 0.278 212 E C -2.610 173.970 176.600 -0.033 0.000 0.972 212 E CA -2.147 54.240 56.400 -0.022 0.000 0.804 212 E CB 1.830 31.509 29.700 -0.035 0.000 1.110 212 E HN 0.421 nan 8.360 nan 0.000 0.394 213 P HA -0.027 nan 4.420 nan 0.000 0.264 213 P C -0.738 176.520 177.300 -0.069 0.000 1.183 213 P CA 0.582 63.645 63.100 -0.060 0.000 0.763 213 P CB 0.382 32.041 31.700 -0.067 0.000 0.807 214 D N 0.064 120.416 120.400 -0.081 0.000 2.946 214 D HA -0.132 4.509 4.640 0.000 0.000 0.202 214 D C 0.952 177.209 176.300 -0.071 0.000 1.068 214 D CA 1.831 55.774 54.000 -0.095 0.000 1.011 214 D CB -1.480 39.257 40.800 -0.104 0.000 1.105 214 D HN 0.574 nan 8.370 nan 0.000 0.425 215 G N -0.164 108.597 108.800 -0.065 0.000 2.611 215 G HA2 0.183 4.144 3.960 0.000 0.000 0.273 215 G HA3 0.183 4.144 3.960 0.000 0.000 0.273 215 G C 1.210 176.056 174.900 -0.090 0.000 1.305 215 G CA 0.175 45.228 45.100 -0.080 0.000 1.010 215 G HN 0.053 nan 8.290 nan 0.000 0.509 216 N N -0.958 117.648 118.700 -0.155 0.000 2.058 216 N HA -0.148 4.592 4.740 0.000 0.000 0.191 216 N C 1.931 177.342 175.510 -0.165 0.000 1.037 216 N CA 1.366 54.299 53.050 -0.195 0.000 0.848 216 N CB -0.482 37.830 38.487 -0.292 0.000 1.021 216 N HN 0.530 nan 8.380 nan 0.000 0.422 217 Y N 1.628 121.837 120.300 -0.153 0.000 2.128 217 Y HA -0.165 4.385 4.550 0.000 0.000 0.284 217 Y C 2.399 178.209 175.900 -0.150 0.000 1.154 217 Y CA 0.708 58.706 58.100 -0.170 0.000 1.149 217 Y CB -1.014 37.380 38.460 -0.109 0.000 0.976 217 Y HN 0.095 nan 8.280 nan 0.000 0.505 218 D N -0.311 120.125 120.400 0.060 0.000 2.123 218 D HA -0.173 4.467 4.640 0.000 0.000 0.196 218 D C 1.950 178.269 176.300 0.032 0.000 0.992 218 D CA 1.579 55.587 54.000 0.013 0.000 0.833 218 D CB -0.078 40.711 40.800 -0.018 0.000 0.954 218 D HN 0.428 nan 8.370 nan 0.000 0.455 219 Q N -0.618 119.199 119.800 0.029 0.000 2.123 219 Q HA -0.127 4.213 4.340 0.000 0.000 0.199 219 Q C 2.278 178.336 176.000 0.096 0.000 0.966 219 Q CA 0.718 56.608 55.803 0.145 0.000 0.845 219 Q CB -0.048 28.783 28.738 0.154 0.000 0.907 219 Q HN 0.319 nan 8.270 nan 0.000 0.439 220 Q N 0.628 120.309 119.800 -0.198 0.000 1.978 220 Q HA -0.221 4.119 4.340 0.000 0.000 0.211 220 Q C 2.031 177.901 176.000 -0.218 0.000 1.013 220 Q CA 2.206 57.648 55.803 -0.602 0.000 0.869 220 Q CB -0.154 28.039 28.738 -0.908 0.000 0.953 220 Q HN 0.360 nan 8.270 nan 0.000 0.415 221 M N -0.604 118.946 119.600 -0.082 0.000 2.108 221 M HA -0.208 4.273 4.480 0.000 0.000 0.261 221 M C 2.183 178.594 176.300 0.185 0.000 1.066 221 M CA 1.562 56.889 55.300 0.045 0.000 1.107 221 M CB -0.307 32.297 32.600 0.008 0.000 1.356 221 M HN 0.147 nan 8.290 nan 0.000 0.406 222 R N 0.073 120.724 120.500 0.251 0.000 2.075 222 R HA -0.041 4.299 4.340 0.000 0.000 0.232 222 R C 2.402 178.979 176.300 0.462 0.000 1.126 222 R CA 1.473 57.824 56.100 0.418 0.000 0.963 222 R CB -0.408 30.208 30.300 0.528 0.000 0.858 222 R HN 0.374 nan 8.270 nan 0.000 0.435 223 A N 1.153 124.242 122.820 0.448 0.000 1.897 223 A HA -0.122 4.198 4.320 0.000 0.000 0.215 223 A C 2.031 179.930 177.584 0.524 0.000 1.181 223 A CA 0.740 52.983 52.037 0.342 0.000 0.620 223 A CB -0.449 18.751 19.000 0.332 0.000 0.821 223 A HN 0.203 nan 8.150 nan 0.000 0.443 224 L N 0.425 122.052 121.223 0.674 0.000 1.997 224 L HA -0.213 4.127 4.340 0.000 0.000 0.216 224 L C 2.263 179.494 176.870 0.601 0.000 1.074 224 L CA 2.104 57.386 54.840 0.738 0.000 0.763 224 L CB -0.668 41.717 42.059 0.544 0.000 0.890 224 L HN 0.463 nan 8.230 nan 0.000 0.434 225 I N -0.761 120.069 120.570 0.433 0.000 2.163 225 I HA -0.343 3.827 4.170 0.000 0.000 0.243 225 I C 2.511 178.796 176.117 0.281 0.000 1.085 225 I CA 1.807 63.311 61.300 0.339 0.000 1.347 225 I CB -0.560 37.589 38.000 0.248 0.000 1.044 225 I HN 0.511 nan 8.210 nan 0.000 0.408 226 S N 0.477 116.328 115.700 0.251 0.000 2.446 226 S HA -0.056 4.414 4.470 0.000 0.000 0.225 226 S C 1.941 176.607 174.600 0.109 0.000 1.016 226 S CA 0.175 58.462 58.200 0.144 0.000 0.943 226 S CB -0.506 62.793 63.200 0.166 0.000 0.786 226 S HN 0.301 nan 8.310 nan 0.000 0.508 227 L N 1.232 122.568 121.223 0.189 0.000 1.989 227 L HA 0.029 4.369 4.340 0.000 0.000 0.211 227 L C 2.173 179.183 176.870 0.233 0.000 1.071 227 L CA 2.014 56.970 54.840 0.193 0.000 0.749 227 L CB -1.547 40.653 42.059 0.234 0.000 0.890 227 L HN 0.613 nan 8.230 nan 0.000 0.431 228 W N -0.383 120.939 121.300 0.037 0.000 2.358 228 W HA -0.232 4.428 4.660 0.000 0.000 0.303 228 W C 2.276 178.523 176.519 -0.452 0.000 1.208 228 W CA 1.850 58.955 57.345 -0.400 0.000 1.274 228 W CB -0.354 28.309 29.460 -1.328 0.000 1.138 228 W HN 0.269 nan 8.180 nan 0.000 0.515 229 L N 0.708 121.628 121.223 -0.506 0.000 2.093 229 L HA -0.080 4.261 4.340 0.000 0.000 0.208 229 L C 2.255 178.833 176.870 -0.486 0.000 1.085 229 L CA 1.901 56.296 54.840 -0.741 0.000 0.755 229 L CB -0.886 40.939 42.059 -0.389 0.000 0.904 229 L HN 0.097 nan 8.230 nan 0.000 0.435 230 L N -1.342 119.708 121.223 -0.288 0.000 2.093 230 L HA -0.152 4.188 4.340 0.000 0.000 0.208 230 L C 2.446 179.225 176.870 -0.153 0.000 1.085 230 L CA 1.221 55.948 54.840 -0.188 0.000 0.755 230 L CB -0.792 41.211 42.059 -0.094 0.000 0.904 230 L HN 0.181 nan 8.230 nan 0.000 0.435 231 S N -0.907 114.706 115.700 -0.145 0.000 2.368 231 S HA -0.247 4.223 4.470 0.000 0.000 0.225 231 S C 1.921 176.376 174.600 -0.241 0.000 1.030 231 S CA 1.316 59.494 58.200 -0.036 0.000 0.999 231 S CB -0.508 62.767 63.200 0.125 0.000 0.844 231 S HN 0.415 nan 8.310 nan 0.000 0.459 232 Y N 2.377 122.127 120.300 -0.916 0.000 2.421 232 Y HA 0.046 4.596 4.550 0.000 0.000 0.292 232 Y C 1.668 177.275 175.900 -0.488 0.000 1.136 232 Y CA 0.986 58.433 58.100 -1.087 0.000 1.255 232 Y CB -0.142 37.209 38.460 -1.848 0.000 0.991 232 Y HN 0.384 nan 8.280 nan 0.000 0.552 233 I N -3.457 116.904 120.570 -0.347 0.000 3.976 233 I HA 0.476 4.646 4.170 0.000 0.000 0.337 233 I C 1.456 177.445 176.117 -0.213 0.000 1.359 233 I CA 0.710 61.842 61.300 -0.280 0.000 1.098 233 I CB 0.166 38.054 38.000 -0.186 0.000 1.027 233 I HN 0.136 nan 8.210 nan 0.000 0.394 234 G N 1.751 110.460 108.800 -0.151 0.000 2.199 234 G HA2 -0.351 3.609 3.960 0.000 0.000 0.254 234 G HA3 -0.351 3.609 3.960 0.000 0.000 0.254 234 G C 0.905 175.813 174.900 0.014 0.000 0.982 234 G CA 0.775 45.846 45.100 -0.048 0.000 0.632 234 G HN 0.795 nan 8.290 nan 0.000 0.529 235 V N -1.857 118.032 119.914 -0.041 0.000 2.453 235 V HA 0.377 4.497 4.120 0.000 0.000 0.247 235 V C 1.502 177.587 176.094 -0.014 0.000 1.048 235 V CA 1.369 63.647 62.300 -0.036 0.000 1.049 235 V CB -0.308 31.472 31.823 -0.071 0.000 0.672 235 V HN 0.527 nan 8.190 nan 0.000 0.457 236 V N 2.994 122.907 119.914 -0.001 0.000 2.539 236 V HA 0.611 4.731 4.120 0.000 0.000 0.292 236 V C 0.005 176.142 176.094 0.072 0.000 1.045 236 V CA 0.351 62.666 62.300 0.024 0.000 0.945 236 V CB 1.097 32.946 31.823 0.044 0.000 0.993 236 V HN 0.996 nan 8.190 nan 0.000 0.464 237 N N 2.358 121.035 118.700 -0.038 0.000 3.635 237 N HA 0.161 4.901 4.740 0.000 0.000 0.347 237 N C 0.554 175.576 175.510 -0.813 0.000 1.596 237 N CA -0.461 52.486 53.050 -0.171 0.000 0.778 237 N CB 0.681 39.139 38.487 -0.049 0.000 2.436 237 N HN 0.335 nan 8.380 nan 0.000 0.569 238 Q N -0.777 118.498 119.800 -0.876 0.000 2.062 238 Q HA -0.045 4.296 4.340 0.000 0.000 0.196 238 Q C 1.023 176.693 176.000 -0.550 0.000 0.967 238 Q CA 2.139 57.284 55.803 -1.096 0.000 0.832 238 Q CB -0.240 28.184 28.738 -0.525 0.000 0.899 238 Q HN 0.805 nan 8.270 nan 0.000 0.442 239 T N -1.734 112.618 114.554 -0.337 0.000 3.160 239 T HA 0.027 4.377 4.350 0.000 0.000 0.257 239 T C 0.236 174.835 174.700 -0.168 0.000 1.147 239 T CA 0.455 62.434 62.100 -0.201 0.000 1.064 239 T CB 0.073 68.858 68.868 -0.139 0.000 0.949 239 T HN 0.114 nan 8.240 nan 0.000 0.526 240 N N 1.467 120.046 118.700 -0.202 0.000 2.751 240 N HA 0.230 4.970 4.740 0.000 0.000 0.238 240 N C -0.721 174.733 175.510 -0.094 0.000 1.351 240 N CA -0.221 52.756 53.050 -0.122 0.000 0.751 240 N CB 1.353 39.789 38.487 -0.085 0.000 1.342 240 N HN 0.471 nan 8.380 nan 0.000 0.540 241 T N -0.823 113.691 114.554 -0.068 0.000 2.919 241 T HA 0.677 5.027 4.350 0.000 0.000 0.282 241 T C 0.123 174.829 174.700 0.009 0.000 1.020 241 T CA -0.677 61.428 62.100 0.009 0.000 0.994 241 T CB 0.959 69.850 68.868 0.037 0.000 1.180 241 T HN 0.163 nan 8.240 nan 0.000 0.566 242 I N 1.892 122.491 120.570 0.048 0.000 2.428 242 I HA 0.288 4.458 4.170 0.000 0.000 0.279 242 I C 0.293 176.450 176.117 0.066 0.000 1.040 242 I CA -0.607 60.707 61.300 0.023 0.000 1.171 242 I CB 1.045 39.038 38.000 -0.012 0.000 1.312 242 I HN 0.879 nan 8.210 nan 0.000 0.470 243 S N 4.590 120.308 115.700 0.030 0.000 3.559 243 S HA -0.223 4.247 4.470 0.000 0.000 0.369 243 S C 1.228 175.812 174.600 -0.026 0.000 0.987 243 S CA 0.912 59.145 58.200 0.056 0.000 1.187 243 S CB -1.040 62.246 63.200 0.144 0.000 0.914 243 S HN 1.263 nan 8.310 nan 0.000 0.480 244 G N -0.736 107.933 108.800 -0.219 0.000 2.420 244 G HA2 -0.285 3.675 3.960 0.000 0.000 0.221 244 G HA3 -0.285 3.675 3.960 0.000 0.000 0.221 244 G C 0.003 174.631 174.900 -0.454 0.000 1.117 244 G CA -0.031 44.648 45.100 -0.702 0.000 0.657 244 G HN 0.629 nan 8.290 nan 0.000 0.512 245 F N 1.710 121.693 119.950 0.054 0.000 2.418 245 F HA 0.670 5.197 4.527 0.000 0.000 0.341 245 F C 0.649 176.495 175.800 0.075 0.000 1.120 245 F CA 0.299 58.319 58.000 0.032 0.000 1.232 245 F CB 0.638 39.578 39.000 -0.100 0.000 1.175 245 F HN 0.528 nan 8.300 nan 0.000 0.569 246 Y N -0.774 119.598 120.300 0.120 0.000 2.656 246 Y HA 0.671 5.221 4.550 0.000 0.000 0.334 246 Y C -1.960 173.949 175.900 0.014 0.000 1.179 246 Y CA -2.511 55.640 58.100 0.085 0.000 1.050 246 Y CB 0.707 39.244 38.460 0.129 0.000 1.308 246 Y HN 0.374 nan 8.280 nan 0.000 0.456 247 F N 1.020 121.211 119.950 0.403 0.000 2.440 247 F HA 0.732 5.260 4.527 0.000 0.000 0.328 247 F C 0.398 176.641 175.800 0.738 0.000 1.070 247 F CA -0.568 57.694 58.000 0.436 0.000 1.011 247 F CB 2.139 41.419 39.000 0.467 0.000 1.226 247 F HN 0.603 nan 8.300 nan 0.000 0.491 248 S N 1.061 117.306 115.700 0.907 0.000 2.536 248 S HA 0.576 5.046 4.470 0.000 0.000 0.271 248 S C -1.412 173.375 174.600 0.313 0.000 1.134 248 S CA -0.496 58.133 58.200 0.715 0.000 0.897 248 S CB 1.591 65.238 63.200 0.745 0.000 1.094 248 S HN 0.595 nan 8.310 nan 0.000 0.473 249 S N 2.418 118.148 115.700 0.050 0.000 2.557 249 S HA 0.521 4.991 4.470 0.000 0.000 0.291 249 S C 0.275 174.898 174.600 0.039 0.000 1.116 249 S CA -0.622 57.453 58.200 -0.207 0.000 0.992 249 S CB 1.262 63.953 63.200 -0.849 0.000 1.028 249 S HN 0.680 nan 8.310 nan 0.000 0.484 250 K N 1.521 121.921 120.400 -0.001 0.000 1.984 250 K HA 0.055 4.375 4.320 0.000 0.000 0.209 250 K C 1.029 177.667 176.600 0.063 0.000 1.046 250 K CA 1.500 57.798 56.287 0.019 0.000 0.934 250 K CB -0.668 31.832 32.500 0.000 0.000 0.717 250 K HN 0.802 nan 8.250 nan 0.000 0.438 251 T N -0.258 114.299 114.554 0.005 0.000 2.828 251 T HA 0.446 4.796 4.350 0.000 0.000 0.290 251 T C -0.159 174.538 174.700 -0.005 0.000 1.019 251 T CA -0.765 61.331 62.100 -0.005 0.000 1.031 251 T CB 1.252 70.076 68.868 -0.073 0.000 1.001 251 T HN -0.032 nan 8.240 nan 0.000 0.531 252 R N -0.166 120.320 120.500 -0.023 0.000 2.631 252 R HA 0.517 4.857 4.340 0.000 0.000 0.289 252 R C 0.411 176.667 176.300 -0.073 0.000 1.303 252 R CA 0.395 56.438 56.100 -0.096 0.000 0.989 252 R CB 0.346 30.483 30.300 -0.272 0.000 1.208 252 R HN 1.300 nan 8.270 nan 0.000 0.461 253 G N 2.189 110.981 108.800 -0.014 0.000 2.132 253 G HA2 -0.253 3.707 3.960 0.000 0.000 0.228 253 G HA3 -0.253 3.707 3.960 0.000 0.000 0.228 253 G C -0.343 174.583 174.900 0.042 0.000 1.000 253 G CA 0.279 45.414 45.100 0.057 0.000 0.693 253 G HN 0.525 nan 8.290 nan 0.000 0.515 254 Q N -1.532 118.161 119.800 -0.179 0.000 2.572 254 Q HA 0.801 5.141 4.340 0.000 0.000 0.284 254 Q C 1.634 176.977 176.000 -1.094 0.000 1.091 254 Q CA -0.401 55.056 55.803 -0.576 0.000 0.840 254 Q CB 1.233 29.801 28.738 -0.282 0.000 1.433 254 Q HN 0.598 nan 8.270 nan 0.000 0.471 255 A N 0.349 122.229 122.820 -1.565 0.000 1.917 255 A HA -0.197 4.123 4.320 0.000 0.000 0.219 255 A C 1.680 179.062 177.584 -0.337 0.000 1.182 255 A CA 1.853 53.354 52.037 -0.894 0.000 0.633 255 A CB -0.717 18.068 19.000 -0.358 0.000 0.819 255 A HN 0.632 nan 8.150 nan 0.000 0.448 256 L N -0.165 120.906 121.223 -0.254 0.000 2.478 256 L HA -0.015 4.326 4.340 0.000 0.000 0.223 256 L C -0.204 176.612 176.870 -0.091 0.000 1.140 256 L CA -0.091 54.678 54.840 -0.119 0.000 0.842 256 L CB -0.608 41.398 42.059 -0.088 0.000 0.953 256 L HN 0.193 nan 8.230 nan 0.000 0.452 257 D N 0.343 120.674 120.400 -0.115 0.000 2.662 257 D HA -0.019 4.621 4.640 0.000 0.000 0.237 257 D C 0.071 176.318 176.300 -0.088 0.000 1.154 257 D CA 0.789 54.712 54.000 -0.128 0.000 0.861 257 D CB 0.332 41.111 40.800 -0.035 0.000 1.146 257 D HN -0.048 nan 8.370 nan 0.000 0.518 258 S N 1.611 117.205 115.700 -0.176 0.000 2.526 258 S HA 0.515 4.985 4.470 0.000 0.000 0.293 258 S C -1.121 173.366 174.600 -0.188 0.000 1.092 258 S CA -0.808 57.357 58.200 -0.058 0.000 0.980 258 S CB 0.773 63.989 63.200 0.027 0.000 1.048 258 S HN 0.345 nan 8.310 nan 0.000 0.483 259 W N 2.579 124.035 121.300 0.259 0.000 2.294 259 W HA 0.415 5.075 4.660 0.000 0.000 0.314 259 W C 0.217 176.932 176.519 0.327 0.000 1.044 259 W CA -0.565 56.971 57.345 0.317 0.000 1.284 259 W CB 1.009 30.633 29.460 0.274 0.000 1.231 259 W HN 0.524 nan 8.180 nan 0.000 0.419 260 T N 0.783 115.580 114.554 0.405 0.000 2.855 260 T HA 0.579 4.930 4.350 0.000 0.000 0.281 260 T C -1.009 173.403 174.700 -0.480 0.000 1.007 260 T CA -0.981 61.113 62.100 -0.010 0.000 1.009 260 T CB 1.880 70.593 68.868 -0.258 0.000 0.983 260 T HN 0.214 nan 8.240 nan 0.000 0.455 261 L N 3.267 124.113 121.223 -0.628 0.000 2.278 261 L HA 0.641 4.981 4.340 0.000 0.000 0.287 261 L C -1.691 174.623 176.870 -0.927 0.000 1.072 261 L CA -0.436 53.868 54.840 -0.893 0.000 0.819 261 L CB -0.666 40.999 42.059 -0.656 0.000 1.176 261 L HN 0.613 nan 8.230 nan 0.000 0.435 262 F N 4.940 124.623 119.950 -0.445 0.000 2.577 262 F HA 0.461 4.988 4.527 0.000 0.000 0.318 262 F C -0.830 174.718 175.800 -0.420 0.000 1.065 262 F CA -0.821 56.902 58.000 -0.462 0.000 0.929 262 F CB 1.532 40.175 39.000 -0.596 0.000 1.237 262 F HN 0.366 nan 8.300 nan 0.000 0.468 263 Y N 0.556 120.920 120.300 0.106 0.000 2.391 263 Y HA 0.554 5.104 4.550 0.000 0.000 0.341 263 Y C -0.530 175.418 175.900 0.081 0.000 0.965 263 Y CA -0.532 57.570 58.100 0.003 0.000 1.067 263 Y CB 1.862 40.281 38.460 -0.069 0.000 1.199 263 Y HN 0.648 nan 8.280 nan 0.000 0.450 264 T N 3.399 117.691 114.554 -0.437 0.000 2.859 264 T HA 0.255 4.605 4.350 0.000 0.000 0.281 264 T C 0.488 174.861 174.700 -0.545 0.000 1.005 264 T CA -0.151 61.782 62.100 -0.277 0.000 1.025 264 T CB 1.584 70.404 68.868 -0.080 0.000 0.977 264 T HN 0.868 nan 8.240 nan 0.000 0.458 265 T N 2.133 116.567 114.554 -0.201 0.000 2.990 265 T HA 0.083 4.433 4.350 0.000 0.000 0.249 265 T C 1.746 176.391 174.700 -0.092 0.000 1.039 265 T CA 0.301 62.332 62.100 -0.114 0.000 1.036 265 T CB -0.014 68.872 68.868 0.030 0.000 0.994 265 T HN 0.756 nan 8.240 nan 0.000 0.489 266 N N 0.826 119.475 118.700 -0.085 0.000 2.414 266 N HA 0.023 4.763 4.740 0.000 0.000 0.177 266 N C 0.959 176.425 175.510 -0.073 0.000 1.062 266 N CA 0.278 53.290 53.050 -0.062 0.000 0.890 266 N CB -0.210 38.252 38.487 -0.043 0.000 1.070 266 N HN 0.400 nan 8.380 nan 0.000 0.454 267 T N -1.210 113.288 114.554 -0.093 0.000 2.897 267 T HA 0.296 4.646 4.350 0.000 0.000 0.278 267 T C 0.040 174.680 174.700 -0.099 0.000 0.981 267 T CA -0.774 61.270 62.100 -0.095 0.000 0.973 267 T CB 1.009 69.810 68.868 -0.111 0.000 1.092 267 T HN 0.024 nan 8.240 nan 0.000 0.543 268 N N 0.214 118.860 118.700 -0.089 0.000 2.407 268 N HA 0.133 4.873 4.740 0.000 0.000 0.250 268 N C -0.451 175.011 175.510 -0.079 0.000 1.236 268 N CA 0.212 53.217 53.050 -0.075 0.000 0.879 268 N CB 0.176 38.625 38.487 -0.065 0.000 1.088 268 N HN 0.469 nan 8.380 nan 0.000 0.450 269 R N 1.475 121.937 120.500 -0.063 0.000 2.637 269 R HA 0.448 4.788 4.340 0.000 0.000 0.291 269 R C -0.812 175.466 176.300 -0.037 0.000 0.963 269 R CA -1.027 55.040 56.100 -0.055 0.000 0.901 269 R CB 1.570 31.836 30.300 -0.056 0.000 1.160 269 R HN 0.246 nan 8.270 nan 0.000 0.457 270 V N 2.561 122.456 119.914 -0.031 0.000 2.843 270 V HA -0.016 4.104 4.120 0.000 0.000 0.305 270 V C 0.376 176.461 176.094 -0.016 0.000 1.065 270 V CA 0.511 62.797 62.300 -0.024 0.000 1.116 270 V CB 1.110 32.918 31.823 -0.025 0.000 0.968 270 V HN 0.692 nan 8.190 nan 0.000 0.487 271 Q N 3.958 123.754 119.800 -0.008 0.000 2.788 271 Q HA 0.414 4.754 4.340 0.000 0.000 0.261 271 Q C -0.762 175.249 176.000 0.018 0.000 1.029 271 Q CA -0.282 55.523 55.803 0.003 0.000 0.848 271 Q CB 1.051 29.791 28.738 0.003 0.000 1.185 271 Q HN 0.666 nan 8.270 nan 0.000 0.482 272 I N 1.426 122.009 120.570 0.022 0.000 2.578 272 I HA -0.055 4.115 4.170 0.000 0.000 0.286 272 I C 1.280 177.440 176.117 0.073 0.000 1.126 272 I CA 0.327 61.665 61.300 0.063 0.000 1.380 272 I CB 0.738 38.775 38.000 0.060 0.000 1.408 272 I HN 0.433 nan 8.210 nan 0.000 0.532 273 T N 5.009 119.614 114.554 0.084 0.000 2.754 273 T HA -0.074 4.277 4.350 0.000 0.000 0.238 273 T C 0.561 175.270 174.700 0.014 0.000 1.091 273 T CA 0.468 62.593 62.100 0.041 0.000 1.358 273 T CB -0.156 68.728 68.868 0.026 0.000 1.006 273 T HN 0.669 nan 8.240 nan 0.000 0.411 274 Q N 1.115 120.888 119.800 -0.046 0.000 2.260 274 Q HA 0.435 4.775 4.340 0.000 0.000 0.238 274 Q C -0.035 175.793 176.000 -0.287 0.000 0.948 274 Q CA -0.780 54.925 55.803 -0.163 0.000 0.895 274 Q CB 0.668 29.278 28.738 -0.213 0.000 1.218 274 Q HN 0.290 nan 8.270 nan 0.000 0.470 275 R N 1.158 121.517 120.500 -0.235 0.000 2.623 275 R HA 0.061 4.402 4.340 0.000 0.000 0.271 275 R C -0.762 175.256 176.300 -0.469 0.000 1.043 275 R CA 0.022 56.018 56.100 -0.172 0.000 1.083 275 R CB 0.395 30.648 30.300 -0.079 0.000 0.974 275 R HN 0.737 nan 8.270 nan 0.000 0.436 276 H N 3.568 122.489 119.070 -0.247 0.000 2.637 276 H HA 0.316 4.872 4.556 0.000 0.000 0.363 276 H C -1.398 173.671 175.328 -0.431 0.000 1.131 276 H CA -0.533 55.137 56.048 -0.629 0.000 1.183 276 H CB 1.774 30.620 29.762 -1.528 0.000 1.637 276 H HN 0.492 nan 8.280 nan 0.000 0.531 277 F N 1.578 121.345 119.950 -0.304 0.000 2.569 277 F HA 0.609 5.136 4.527 0.000 0.000 0.312 277 F C -1.512 174.396 175.800 0.180 0.000 1.109 277 F CA -0.425 57.522 58.000 -0.089 0.000 0.919 277 F CB 1.540 40.401 39.000 -0.232 0.000 1.211 277 F HN 0.656 nan 8.300 nan 0.000 0.446 278 A N 4.052 126.500 122.820 -0.620 0.000 2.515 278 A HA 0.669 4.989 4.320 0.000 0.000 0.298 278 A C -2.372 174.673 177.584 -0.899 0.000 1.059 278 A CA -0.522 51.257 52.037 -0.429 0.000 0.698 278 A CB 0.846 19.900 19.000 0.090 0.000 1.289 278 A HN 0.626 nan 8.150 nan 0.000 0.404 279 Y N 0.950 121.088 120.300 -0.270 0.000 2.350 279 Y HA 0.470 5.020 4.550 0.000 0.000 0.340 279 Y C 0.106 176.016 175.900 0.016 0.000 1.006 279 Y CA -0.342 57.721 58.100 -0.061 0.000 1.166 279 Y CB 1.474 40.051 38.460 0.194 0.000 1.168 279 Y HN 0.359 nan 8.280 nan 0.000 0.502 280 V N 4.076 124.101 119.914 0.184 0.000 2.444 280 V HA 0.443 4.563 4.120 0.000 0.000 0.294 280 V C -0.190 176.104 176.094 0.334 0.000 1.022 280 V CA -1.085 61.345 62.300 0.216 0.000 0.850 280 V CB 1.118 33.015 31.823 0.123 0.000 0.992 280 V HN 0.965 nan 8.190 nan 0.000 0.426 281 C N 2.951 122.464 119.300 0.356 0.000 2.562 281 C HA 0.970 5.430 4.460 0.000 0.000 0.332 281 C C 0.601 175.748 174.990 0.261 0.000 1.201 281 C CA -0.781 58.481 59.018 0.406 0.000 1.803 281 C CB 1.131 28.938 27.740 0.113 0.000 2.328 281 C HN 1.146 nan 8.230 nan 0.000 0.500 282 A N 1.983 124.704 122.820 -0.164 0.000 2.409 282 A HA 0.462 4.782 4.320 0.000 0.000 0.262 282 A C 1.318 178.688 177.584 -0.358 0.000 1.113 282 A CA -0.317 51.297 52.037 -0.705 0.000 0.790 282 A CB 0.117 18.353 19.000 -1.274 0.000 1.046 282 A HN 1.098 nan 8.150 nan 0.000 0.496 283 R N 2.042 122.388 120.500 -0.256 0.000 2.062 283 R HA -0.038 4.302 4.340 0.000 0.000 0.226 283 R C 0.874 177.025 176.300 -0.249 0.000 1.125 283 R CA 1.459 57.446 56.100 -0.187 0.000 0.966 283 R CB -0.135 30.092 30.300 -0.121 0.000 0.861 283 R HN 0.792 nan 8.270 nan 0.000 0.433 284 S N 0.293 115.814 115.700 -0.299 0.000 2.562 284 S HA 0.274 4.744 4.470 0.000 0.000 0.275 284 S C -2.074 172.157 174.600 -0.616 0.000 1.281 284 S CA -1.530 56.347 58.200 -0.537 0.000 1.045 284 S CB 1.670 64.647 63.200 -0.372 0.000 0.962 284 S HN 0.020 nan 8.310 nan 0.000 0.503 285 P HA -0.144 nan 4.420 nan 0.000 0.220 285 P C 0.583 177.297 177.300 -0.976 0.000 1.144 285 P CA 1.326 63.667 63.100 -1.265 0.000 0.800 285 P CB -0.267 30.161 31.700 -2.121 0.000 0.772 286 D N -1.441 118.588 120.400 -0.619 0.000 2.392 286 D HA -0.181 4.459 4.640 0.000 0.000 0.228 286 D C 1.620 177.782 176.300 -0.229 0.000 1.003 286 D CA 0.168 54.003 54.000 -0.275 0.000 0.917 286 D CB -1.490 39.363 40.800 0.089 0.000 0.890 286 D HN 0.437 nan 8.370 nan 0.000 0.532 287 W N 1.092 122.208 121.300 -0.307 0.000 2.374 287 W HA -0.061 4.599 4.660 0.000 0.000 0.288 287 W C 0.953 177.397 176.519 -0.125 0.000 1.218 287 W CA 0.184 57.376 57.345 -0.255 0.000 1.245 287 W CB -1.041 28.156 29.460 -0.438 0.000 1.126 287 W HN -0.100 nan 8.180 nan 0.000 0.545 288 N N 1.512 119.506 118.700 -1.176 0.000 2.184 288 N HA -0.179 4.561 4.740 0.000 0.000 0.190 288 N C 1.659 176.940 175.510 -0.382 0.000 1.011 288 N CA 2.141 54.531 53.050 -1.099 0.000 0.867 288 N CB -0.337 37.387 38.487 -1.272 0.000 0.993 288 N HN 0.184 nan 8.380 nan 0.000 0.433 289 V N 0.409 120.174 119.914 -0.248 0.000 3.660 289 V HA 0.034 4.155 4.120 0.000 0.000 0.276 289 V C -0.010 176.218 176.094 0.224 0.000 1.317 289 V CA 0.115 62.474 62.300 0.098 0.000 1.097 289 V CB 0.105 32.010 31.823 0.136 0.000 0.863 289 V HN 0.030 nan 8.190 nan 0.000 0.438 290 D N 0.871 121.406 120.400 0.226 0.000 2.422 290 D HA 0.108 4.748 4.640 0.000 0.000 0.227 290 D C 1.129 177.629 176.300 0.333 0.000 1.190 290 D CA -0.057 54.148 54.000 0.342 0.000 0.905 290 D CB 1.023 42.072 40.800 0.414 0.000 1.034 290 D HN 0.371 nan 8.370 nan 0.000 0.507 291 K N 1.141 121.710 120.400 0.282 0.000 2.283 291 K HA -0.046 4.274 4.320 0.000 0.000 0.202 291 K C 1.689 178.392 176.600 0.172 0.000 1.048 291 K CA 0.510 56.923 56.287 0.211 0.000 0.948 291 K CB 0.294 32.896 32.500 0.170 0.000 0.742 291 K HN 0.160 nan 8.250 nan 0.000 0.458 292 S N 0.605 116.441 115.700 0.228 0.000 2.371 292 S HA -0.077 4.393 4.470 0.000 0.000 0.221 292 S C 1.350 175.810 174.600 -0.235 0.000 1.036 292 S CA 0.135 58.369 58.200 0.056 0.000 0.965 292 S CB -0.205 63.115 63.200 0.201 0.000 0.845 292 S HN 0.430 nan 8.310 nan 0.000 0.475 293 W N 2.353 123.570 121.300 -0.139 0.000 2.298 293 W HA -0.222 4.438 4.660 0.000 0.000 0.328 293 W C 1.862 178.367 176.519 -0.024 0.000 1.259 293 W CA 1.441 58.752 57.345 -0.055 0.000 1.251 293 W CB -0.890 28.653 29.460 0.137 0.000 1.161 293 W HN 0.234 nan 8.180 nan 0.000 0.466 294 I N 1.165 121.951 120.570 0.361 0.000 2.185 294 I HA -0.380 3.790 4.170 0.000 0.000 0.246 294 I C 2.675 178.825 176.117 0.055 0.000 1.088 294 I CA 2.352 63.804 61.300 0.254 0.000 1.347 294 I CB -0.915 37.262 38.000 0.294 0.000 1.041 294 I HN 0.002 nan 8.210 nan 0.000 0.415 295 A N 0.051 122.842 122.820 -0.048 0.000 1.898 295 A HA -0.089 4.231 4.320 0.000 0.000 0.216 295 A C 2.493 179.938 177.584 -0.233 0.000 1.181 295 A CA 1.662 53.587 52.037 -0.188 0.000 0.620 295 A CB -0.894 17.891 19.000 -0.359 0.000 0.819 295 A HN 0.430 nan 8.150 nan 0.000 0.442 296 A N -0.185 122.492 122.820 -0.239 0.000 1.930 296 A HA 0.234 4.554 4.320 0.000 0.000 0.217 296 A C 2.443 179.941 177.584 -0.143 0.000 1.175 296 A CA 1.772 53.706 52.037 -0.171 0.000 0.627 296 A CB -0.874 17.965 19.000 -0.268 0.000 0.815 296 A HN 1.003 nan 8.150 nan 0.000 0.443 297 A N 0.348 123.075 122.820 -0.155 0.000 1.933 297 A HA -0.192 4.128 4.320 0.000 0.000 0.218 297 A C 1.964 179.551 177.584 0.004 0.000 1.175 297 A CA 1.615 53.620 52.037 -0.053 0.000 0.628 297 A CB -0.580 18.433 19.000 0.022 0.000 0.814 297 A HN 0.590 nan 8.150 nan 0.000 0.444 298 N N 0.036 118.731 118.700 -0.008 0.000 2.142 298 N HA -0.055 4.685 4.740 0.000 0.000 0.186 298 N C 1.738 177.240 175.510 -0.014 0.000 1.023 298 N CA 1.198 54.249 53.050 0.002 0.000 0.852 298 N CB -0.307 38.174 38.487 -0.010 0.000 0.998 298 N HN 0.452 nan 8.380 nan 0.000 0.424 299 L N 0.924 122.122 121.223 -0.042 0.000 2.083 299 L HA -0.132 4.208 4.340 0.000 0.000 0.209 299 L C 2.250 179.117 176.870 -0.006 0.000 1.083 299 L CA 1.074 55.893 54.840 -0.035 0.000 0.752 299 L CB -0.818 41.216 42.059 -0.042 0.000 0.899 299 L HN 0.158 nan 8.230 nan 0.000 0.433 300 T N 0.034 114.602 114.554 0.023 0.000 2.699 300 T HA -0.244 4.106 4.350 0.000 0.000 0.268 300 T C 1.921 176.654 174.700 0.054 0.000 1.036 300 T CA 1.555 63.699 62.100 0.074 0.000 1.147 300 T CB -0.154 68.793 68.868 0.132 0.000 0.862 300 T HN 0.494 nan 8.240 nan 0.000 0.446 301 A N 0.803 123.653 122.820 0.049 0.000 1.902 301 A HA -0.007 4.314 4.320 0.000 0.000 0.217 301 A C 2.235 179.828 177.584 0.015 0.000 1.181 301 A CA 1.241 53.305 52.037 0.044 0.000 0.623 301 A CB -0.629 18.394 19.000 0.039 0.000 0.818 301 A HN 0.580 nan 8.150 nan 0.000 0.443 302 I N -0.776 119.791 120.570 -0.005 0.000 2.233 302 I HA -0.165 4.005 4.170 0.000 0.000 0.243 302 I C 2.314 178.409 176.117 -0.037 0.000 1.093 302 I CA 0.847 62.138 61.300 -0.015 0.000 1.380 302 I CB -0.571 37.409 38.000 -0.034 0.000 1.067 302 I HN 0.115 nan 8.210 nan 0.000 0.413 303 V N 1.051 120.916 119.914 -0.082 0.000 2.252 303 V HA -0.331 3.790 4.120 0.000 0.000 0.249 303 V C 2.513 178.471 176.094 -0.226 0.000 1.056 303 V CA 2.228 64.417 62.300 -0.185 0.000 1.022 303 V CB -0.496 31.156 31.823 -0.286 0.000 0.641 303 V HN 0.407 nan 8.190 nan 0.000 0.445 304 M N -0.608 118.894 119.600 -0.164 0.000 2.374 304 M HA -0.072 4.408 4.480 0.000 0.000 0.264 304 M C 2.129 178.458 176.300 0.048 0.000 1.067 304 M CA 1.565 56.838 55.300 -0.046 0.000 1.103 304 M CB -0.416 32.253 32.600 0.115 0.000 1.402 304 M HN 0.410 nan 8.290 nan 0.000 0.444 305 A N -0.096 122.764 122.820 0.066 0.000 2.016 305 A HA -0.112 4.208 4.320 0.000 0.000 0.217 305 A C 2.231 179.890 177.584 0.125 0.000 1.162 305 A CA 1.289 53.439 52.037 0.187 0.000 0.662 305 A CB -0.881 18.234 19.000 0.192 0.000 0.812 305 A HN 0.753 nan 8.150 nan 0.000 0.450 306 C N -0.622 118.700 119.300 0.037 0.000 2.539 306 C HA 0.455 4.915 4.460 0.000 0.000 0.268 306 C C 1.193 176.162 174.990 -0.035 0.000 1.395 306 C CA -0.017 59.006 59.018 0.007 0.000 1.757 306 C CB -1.520 26.216 27.740 -0.006 0.000 1.851 306 C HN 0.637 nan 8.230 nan 0.000 0.545 307 R N -0.402 120.069 120.500 -0.048 0.000 2.930 307 R HA 0.556 4.897 4.340 0.000 0.000 0.257 307 R C -1.090 175.167 176.300 -0.072 0.000 1.107 307 R CA -0.548 55.511 56.100 -0.067 0.000 0.999 307 R CB 0.432 30.691 30.300 -0.068 0.000 1.209 307 R HN 0.044 nan 8.270 nan 0.000 0.486 308 Q N 1.902 121.654 119.800 -0.080 0.000 2.377 308 Q HA 0.328 4.668 4.340 0.000 0.000 0.249 308 Q C -2.103 173.863 176.000 -0.056 0.000 1.005 308 Q CA -1.773 53.987 55.803 -0.071 0.000 0.912 308 Q CB 1.432 30.118 28.738 -0.087 0.000 1.223 308 Q HN 0.480 nan 8.270 nan 0.000 0.459 309 P HA 0.386 nan 4.420 nan 0.000 0.280 309 P C -2.535 174.700 177.300 -0.109 0.000 1.272 309 P CA -1.968 61.135 63.100 0.004 0.000 0.819 309 P CB -0.178 31.617 31.700 0.158 0.000 1.122 310 P HA -0.019 nan 4.420 nan 0.000 0.263 310 P C -0.458 176.704 177.300 -0.230 0.000 1.175 310 P CA 0.379 63.300 63.100 -0.298 0.000 0.761 310 P CB -0.014 31.300 31.700 -0.643 0.000 0.794 311 V N 4.966 124.748 119.914 -0.219 0.000 2.555 311 V HA 0.102 4.222 4.120 0.000 0.000 0.286 311 V C 0.552 176.512 176.094 -0.223 0.000 1.044 311 V CA -0.085 62.058 62.300 -0.262 0.000 1.026 311 V CB -0.603 31.140 31.823 -0.133 0.000 0.981 311 V HN 0.329 nan 8.190 nan 0.000 0.480 312 F N 2.654 122.476 119.950 -0.214 0.000 2.506 312 F HA 0.430 4.957 4.527 0.000 0.000 0.351 312 F C 1.030 176.763 175.800 -0.111 0.000 1.136 312 F CA -0.055 57.817 58.000 -0.213 0.000 1.298 312 F CB 0.399 39.135 39.000 -0.441 0.000 1.145 312 F HN 0.587 nan 8.300 nan 0.000 0.593 313 A N 2.879 125.795 122.820 0.159 0.000 2.488 313 A HA 0.120 4.440 4.320 0.000 0.000 0.249 313 A C 1.281 178.902 177.584 0.062 0.000 1.083 313 A CA -0.552 51.535 52.037 0.084 0.000 0.768 313 A CB -0.040 18.999 19.000 0.065 0.000 1.017 313 A HN 0.822 nan 8.150 nan 0.000 0.496 314 N N 1.173 119.900 118.700 0.046 0.000 2.184 314 N HA -0.193 4.547 4.740 0.000 0.000 0.190 314 N C 1.574 177.093 175.510 0.015 0.000 1.011 314 N CA 1.851 54.923 53.050 0.036 0.000 0.867 314 N CB -0.172 38.337 38.487 0.037 0.000 0.993 314 N HN 0.832 nan 8.380 nan 0.000 0.433 315 Q N -0.950 118.858 119.800 0.013 0.000 2.297 315 Q HA 0.045 4.385 4.340 0.000 0.000 0.204 315 Q C 1.378 177.367 176.000 -0.019 0.000 0.962 315 Q CA 0.909 56.714 55.803 0.004 0.000 0.879 315 Q CB -0.003 28.742 28.738 0.012 0.000 0.947 315 Q HN 0.385 nan 8.270 nan 0.000 0.462 316 G N 0.257 109.035 108.800 -0.035 0.000 3.141 316 G HA2 0.219 4.179 3.960 0.000 0.000 0.218 316 G HA3 0.219 4.179 3.960 0.000 0.000 0.218 316 G C 0.215 175.002 174.900 -0.188 0.000 1.170 316 G CA 0.227 45.275 45.100 -0.087 0.000 0.769 316 G HN 0.175 nan 8.290 nan 0.000 0.546 317 V N -1.746 118.080 119.914 -0.147 0.000 3.102 317 V HA 0.734 4.854 4.120 0.000 0.000 0.312 317 V C 0.311 176.365 176.094 -0.067 0.000 1.135 317 V CA -1.920 60.282 62.300 -0.164 0.000 1.022 317 V CB 1.652 33.374 31.823 -0.169 0.000 1.056 317 V HN 0.274 nan 8.190 nan 0.000 0.436 318 I N 0.010 120.553 120.570 -0.045 0.000 3.112 318 I HA 0.338 4.508 4.170 0.000 0.000 0.284 318 I C 1.355 177.488 176.117 0.027 0.000 1.227 318 I CA -0.030 61.275 61.300 0.007 0.000 1.369 318 I CB 0.109 38.139 38.000 0.051 0.000 1.376 318 I HN 0.664 nan 8.210 nan 0.000 0.608 319 N N 2.203 120.930 118.700 0.046 0.000 2.061 319 N HA -0.220 4.520 4.740 0.000 0.000 0.193 319 N C 1.561 177.125 175.510 0.090 0.000 1.030 319 N CA 1.872 54.957 53.050 0.058 0.000 0.856 319 N CB -0.512 38.007 38.487 0.053 0.000 1.023 319 N HN 0.677 nan 8.380 nan 0.000 0.424 320 Q N -0.050 119.827 119.800 0.129 0.000 2.364 320 Q HA 0.153 4.493 4.340 0.000 0.000 0.207 320 Q C 1.341 177.461 176.000 0.200 0.000 0.970 320 Q CA 1.128 57.058 55.803 0.212 0.000 0.888 320 Q CB -0.021 28.877 28.738 0.267 0.000 0.951 320 Q HN 0.377 nan 8.270 nan 0.000 0.469 321 A N -0.141 122.646 122.820 -0.056 0.000 2.345 321 A HA 0.090 4.410 4.320 0.000 0.000 0.225 321 A C 0.249 177.942 177.584 0.181 0.000 1.243 321 A CA -0.215 51.677 52.037 -0.241 0.000 0.875 321 A CB 0.165 18.733 19.000 -0.719 0.000 0.929 321 A HN 0.228 nan 8.150 nan 0.000 0.502 322 Q N 0.417 120.301 119.800 0.141 0.000 2.260 322 Q HA 0.259 4.600 4.340 0.000 0.000 0.242 322 Q C -0.379 175.680 176.000 0.098 0.000 0.932 322 Q CA -0.733 55.141 55.803 0.118 0.000 0.891 322 Q CB 0.466 29.250 28.738 0.077 0.000 1.222 322 Q HN 0.452 nan 8.270 nan 0.000 0.453 323 N N 1.206 119.944 118.700 0.064 0.000 2.725 323 N HA -0.192 4.548 4.740 0.000 0.000 0.251 323 N C -1.030 174.450 175.510 -0.050 0.000 1.031 323 N CA 0.736 53.796 53.050 0.017 0.000 0.720 323 N CB -0.705 37.794 38.487 0.020 0.000 0.930 323 N HN 0.419 nan 8.380 nan 0.000 0.543 324 R N 1.212 121.656 120.500 -0.093 0.000 2.207 324 R HA 0.375 4.715 4.340 0.000 0.000 0.334 324 R C -2.520 173.667 176.300 -0.189 0.000 1.013 324 R CA -1.835 54.063 56.100 -0.337 0.000 0.858 324 R CB 0.677 30.442 30.300 -0.891 0.000 1.094 324 R HN -0.077 nan 8.270 nan 0.000 0.457 325 P HA 0.080 nan 4.420 nan 0.000 0.260 325 P C 0.357 177.610 177.300 -0.077 0.000 1.185 325 P CA 1.132 64.173 63.100 -0.099 0.000 0.763 325 P CB 0.801 32.447 31.700 -0.090 0.000 0.776 326 G N 2.143 110.918 108.800 -0.041 0.000 2.199 326 G HA2 -0.354 3.606 3.960 0.000 0.000 0.254 326 G HA3 -0.354 3.606 3.960 0.000 0.000 0.254 326 G C 0.452 175.371 174.900 0.031 0.000 0.982 326 G CA 0.290 45.376 45.100 -0.023 0.000 0.632 326 G HN 0.525 nan 8.290 nan 0.000 0.529 327 F N 1.750 121.635 119.950 -0.109 0.000 2.532 327 F HA 0.514 5.042 4.527 0.000 0.000 0.276 327 F C 1.163 177.005 175.800 0.071 0.000 0.911 327 F CA 1.446 59.430 58.000 -0.027 0.000 1.196 327 F CB 0.494 39.446 39.000 -0.081 0.000 1.087 327 F HN 0.563 nan 8.300 nan 0.000 0.775 328 S N 1.863 117.637 115.700 0.124 0.000 2.548 328 S HA 0.735 5.206 4.470 0.000 0.000 0.286 328 S C -0.763 173.863 174.600 0.044 0.000 1.098 328 S CA -0.584 57.663 58.200 0.079 0.000 0.930 328 S CB 2.168 65.494 63.200 0.210 0.000 1.070 328 S HN 0.431 nan 8.310 nan 0.000 0.480 329 M N 0.416 120.035 119.600 0.032 0.000 2.534 329 M HA 0.545 5.025 4.480 0.000 0.000 0.280 329 M C -1.899 174.415 176.300 0.024 0.000 1.217 329 M CA -0.687 54.623 55.300 0.017 0.000 0.893 329 M CB 1.321 33.919 32.600 -0.003 0.000 1.730 329 M HN 0.561 nan 8.290 nan 0.000 0.483 330 N N 0.899 119.610 118.700 0.019 0.000 2.440 330 N HA 0.415 5.155 4.740 0.000 0.000 0.265 330 N C 0.832 176.352 175.510 0.017 0.000 1.239 330 N CA 1.662 54.724 53.050 0.020 0.000 0.909 330 N CB 0.465 38.962 38.487 0.017 0.000 1.066 330 N HN 1.033 nan 8.380 nan 0.000 0.474 331 G N 1.098 109.912 108.800 0.022 0.000 2.149 331 G HA2 -0.200 3.760 3.960 0.000 0.000 0.235 331 G HA3 -0.200 3.760 3.960 0.000 0.000 0.235 331 G C 0.537 175.450 174.900 0.022 0.000 1.018 331 G CA -0.191 44.922 45.100 0.021 0.000 0.728 331 G HN 0.822 nan 8.290 nan 0.000 0.508 332 G N -0.891 107.927 108.800 0.030 0.000 2.553 332 G HA2 0.534 4.494 3.960 0.000 0.000 0.278 332 G HA3 0.534 4.494 3.960 0.000 0.000 0.278 332 G C 0.473 175.409 174.900 0.060 0.000 1.349 332 G CA 0.421 45.541 45.100 0.032 0.000 1.037 332 G HN 0.662 nan 8.290 nan 0.000 0.508 333 T N 2.724 117.329 114.554 0.085 0.000 2.867 333 T HA 0.313 4.664 4.350 0.000 0.000 0.297 333 T C -2.062 172.758 174.700 0.200 0.000 0.989 333 T CA -0.235 61.961 62.100 0.160 0.000 1.159 333 T CB 1.105 70.116 68.868 0.237 0.000 0.928 333 T HN 0.224 nan 8.240 nan 0.000 0.538 334 P HA 0.297 nan 4.420 nan 0.000 0.276 334 P C -0.896 176.373 177.300 -0.052 0.000 1.244 334 P CA -0.588 62.494 63.100 -0.030 0.000 0.801 334 P CB 0.543 32.138 31.700 -0.174 0.000 1.006 335 V N 2.740 122.623 119.914 -0.053 0.000 2.318 335 V HA 0.181 4.301 4.120 0.000 0.000 0.271 335 V C 0.154 176.196 176.094 -0.087 0.000 1.030 335 V CA -0.384 61.917 62.300 0.001 0.000 0.844 335 V CB -0.707 31.118 31.823 0.003 0.000 1.015 335 V HN 0.539 nan 8.190 nan 0.000 0.460 336 H N 2.444 121.588 119.070 0.123 0.000 2.652 336 H HA 0.350 4.907 4.556 0.000 0.000 0.349 336 H C 0.134 175.508 175.328 0.075 0.000 1.099 336 H CA -0.122 55.972 56.048 0.076 0.000 1.417 336 H CB 1.041 30.832 29.762 0.049 0.000 1.457 336 H HN 0.610 nan 8.280 nan 0.000 0.568 337 E N 2.234 122.537 120.200 0.172 0.000 2.277 337 E HA 0.318 4.668 4.350 0.000 0.000 0.274 337 E C -0.731 175.915 176.600 0.077 0.000 1.022 337 E CA -0.572 55.881 56.400 0.089 0.000 0.853 337 E CB 1.188 30.914 29.700 0.042 0.000 1.086 337 E HN 0.356 nan 8.360 nan 0.000 0.397 338 L N 3.440 124.683 121.223 0.033 0.000 2.415 338 L HA 0.253 4.593 4.340 0.000 0.000 0.268 338 L C -0.301 176.517 176.870 -0.088 0.000 0.984 338 L CA -0.815 54.028 54.840 0.004 0.000 0.853 338 L CB 1.334 43.455 42.059 0.104 0.000 1.215 338 L HN 0.439 nan 8.230 nan 0.000 0.419 339 N N 4.278 122.948 118.700 -0.050 0.000 2.416 339 N HA 0.105 4.845 4.740 0.000 0.000 0.265 339 N C 0.729 176.226 175.510 -0.022 0.000 1.195 339 N CA 0.019 53.041 53.050 -0.047 0.000 0.943 339 N CB 1.149 39.635 38.487 -0.003 0.000 1.115 339 N HN 0.655 nan 8.380 nan 0.000 0.481 340 L N 3.164 124.372 121.223 -0.025 0.000 2.313 340 L HA -0.109 4.231 4.340 0.000 0.000 0.214 340 L C 2.056 178.957 176.870 0.052 0.000 1.119 340 L CA 0.301 55.159 54.840 0.030 0.000 0.809 340 L CB -0.288 41.810 42.059 0.065 0.000 0.933 340 L HN 0.475 nan 8.230 nan 0.000 0.449 341 L N -0.080 121.191 121.223 0.080 0.000 1.988 341 L HA -0.142 4.199 4.340 0.000 0.000 0.207 341 L C 2.437 179.310 176.870 0.006 0.000 1.071 341 L CA 2.149 57.027 54.840 0.064 0.000 0.744 341 L CB -0.908 41.205 42.059 0.090 0.000 0.893 341 L HN 0.069 nan 8.230 nan 0.000 0.433 342 T N -0.607 113.953 114.554 0.008 0.000 2.653 342 T HA -0.235 4.115 4.350 0.000 0.000 0.268 342 T C 1.681 176.344 174.700 -0.062 0.000 1.035 342 T CA 2.192 64.280 62.100 -0.021 0.000 1.154 342 T CB -0.866 67.997 68.868 -0.007 0.000 0.862 342 T HN 0.514 nan 8.240 nan 0.000 0.441 343 T N 1.532 116.044 114.554 -0.069 0.000 2.881 343 T HA 0.028 4.379 4.350 0.000 0.000 0.270 343 T C 2.297 176.858 174.700 -0.230 0.000 1.068 343 T CA 1.007 63.026 62.100 -0.134 0.000 1.131 343 T CB -0.392 68.418 68.868 -0.097 0.000 0.871 343 T HN 0.492 nan 8.240 nan 0.000 0.479 344 A N 1.431 124.144 122.820 -0.179 0.000 1.874 344 A HA -0.039 4.281 4.320 0.000 0.000 0.214 344 A C 2.299 179.757 177.584 -0.210 0.000 1.189 344 A CA 0.936 52.843 52.037 -0.215 0.000 0.615 344 A CB -0.547 18.389 19.000 -0.107 0.000 0.830 344 A HN 0.469 nan 8.150 nan 0.000 0.443 345 Q N -0.192 119.530 119.800 -0.130 0.000 2.112 345 Q HA -0.200 4.141 4.340 0.000 0.000 0.206 345 Q C 1.764 177.687 176.000 -0.128 0.000 0.987 345 Q CA 1.610 57.349 55.803 -0.106 0.000 0.858 345 Q CB -0.195 28.506 28.738 -0.061 0.000 0.905 345 Q HN 0.607 nan 8.270 nan 0.000 0.420 346 E N -0.078 120.039 120.200 -0.138 0.000 2.274 346 E HA -0.124 4.226 4.350 0.000 0.000 0.194 346 E C 1.996 178.476 176.600 -0.201 0.000 0.996 346 E CA 0.532 56.850 56.400 -0.138 0.000 0.840 346 E CB -0.319 29.313 29.700 -0.113 0.000 0.772 346 E HN 0.363 nan 8.360 nan 0.000 0.491 347 C N 0.437 119.550 119.300 -0.311 0.000 2.450 347 C HA 0.035 4.495 4.460 0.000 0.000 0.279 347 C C 2.568 177.164 174.990 -0.655 0.000 1.335 347 C CA 0.089 58.815 59.018 -0.487 0.000 1.749 347 C CB -0.913 26.454 27.740 -0.621 0.000 1.963 347 C HN 0.274 nan 8.230 nan 0.000 0.501 348 I N 0.417 120.705 120.570 -0.471 0.000 2.277 348 I HA -0.053 4.117 4.170 0.000 0.000 0.243 348 I C 2.846 178.931 176.117 -0.053 0.000 1.094 348 I CA 0.961 62.106 61.300 -0.258 0.000 1.393 348 I CB -0.771 37.140 38.000 -0.149 0.000 1.078 348 I HN 0.214 nan 8.210 nan 0.000 0.417 349 R N 1.006 121.462 120.500 -0.073 0.000 2.153 349 R HA -0.250 4.091 4.340 0.000 0.000 0.252 349 R C 2.144 178.445 176.300 0.001 0.000 1.158 349 R CA 1.828 57.911 56.100 -0.028 0.000 0.975 349 R CB -0.277 29.996 30.300 -0.045 0.000 0.871 349 R HN 0.437 nan 8.270 nan 0.000 0.450 350 Q N -1.197 118.590 119.800 -0.022 0.000 2.172 350 Q HA -0.157 4.183 4.340 0.000 0.000 0.200 350 Q C 1.835 177.954 176.000 0.198 0.000 0.964 350 Q CA 1.048 56.877 55.803 0.043 0.000 0.855 350 Q CB -0.181 28.556 28.738 -0.003 0.000 0.918 350 Q HN 0.423 nan 8.270 nan 0.000 0.444 351 W N 0.046 121.331 121.300 -0.025 0.000 2.436 351 W HA -0.043 4.617 4.660 0.000 0.000 0.284 351 W C 2.112 178.616 176.519 -0.025 0.000 1.225 351 W CA 0.278 57.610 57.345 -0.022 0.000 1.271 351 W CB -0.605 28.849 29.460 -0.010 0.000 1.114 351 W HN -0.104 nan 8.180 nan 0.000 0.559 352 V N 0.033 120.067 119.914 0.199 0.000 2.488 352 V HA -0.260 3.860 4.120 0.000 0.000 0.246 352 V C 2.098 178.227 176.094 0.059 0.000 1.046 352 V CA 1.526 63.886 62.300 0.100 0.000 1.053 352 V CB -0.747 31.119 31.823 0.073 0.000 0.679 352 V HN 0.052 nan 8.190 nan 0.000 0.458 353 M N 0.232 119.867 119.600 0.058 0.000 2.288 353 M HA 0.031 4.511 4.480 0.000 0.000 0.266 353 M C 2.165 178.479 176.300 0.024 0.000 1.072 353 M CA 1.563 56.882 55.300 0.031 0.000 1.132 353 M CB -0.393 32.221 32.600 0.022 0.000 1.386 353 M HN 0.365 nan 8.290 nan 0.000 0.432 354 A N 0.222 123.066 122.820 0.041 0.000 2.235 354 A HA 0.277 4.597 4.320 0.000 0.000 0.208 354 A C 1.628 179.202 177.584 -0.018 0.000 1.172 354 A CA 0.837 52.879 52.037 0.009 0.000 0.786 354 A CB -1.032 17.980 19.000 0.020 0.000 0.804 354 A HN 0.643 nan 8.150 nan 0.000 0.479 355 G N -0.853 107.946 108.800 -0.002 0.000 2.249 355 G HA2 -0.269 3.691 3.960 0.000 0.000 0.273 355 G HA3 -0.269 3.691 3.960 0.000 0.000 0.273 355 G C 0.619 175.489 174.900 -0.049 0.000 1.036 355 G CA 0.588 45.677 45.100 -0.019 0.000 0.824 355 G HN 0.475 nan 8.290 nan 0.000 0.504 356 L N -1.150 120.033 121.223 -0.067 0.000 2.341 356 L HA 0.272 4.612 4.340 0.000 0.000 0.214 356 L C 1.482 178.278 176.870 -0.123 0.000 1.115 356 L CA 1.204 55.954 54.840 -0.150 0.000 0.820 356 L CB -0.034 41.841 42.059 -0.307 0.000 0.944 356 L HN 0.509 nan 8.230 nan 0.000 0.452 357 V N -5.210 114.676 119.914 -0.046 0.000 3.130 357 V HA 0.586 4.706 4.120 0.000 0.000 0.310 357 V C -0.022 176.076 176.094 0.006 0.000 1.158 357 V CA -0.962 61.329 62.300 -0.016 0.000 1.029 357 V CB 1.576 33.422 31.823 0.039 0.000 1.057 357 V HN 0.074 nan 8.190 nan 0.000 0.436 358 S N 1.457 117.160 115.700 0.006 0.000 2.593 358 S HA 0.581 5.051 4.470 0.000 0.000 0.269 358 S C 1.298 175.911 174.600 0.023 0.000 1.334 358 S CA 0.126 58.331 58.200 0.009 0.000 1.015 358 S CB 1.250 64.452 63.200 0.003 0.000 0.912 358 S HN 2.113 nan 8.310 nan 0.000 0.541 359 A N 1.660 124.491 122.820 0.018 0.000 2.121 359 A HA 0.275 4.595 4.320 0.000 0.000 0.218 359 A C 2.168 179.764 177.584 0.020 0.000 1.154 359 A CA 1.255 53.305 52.037 0.022 0.000 0.679 359 A CB -1.274 17.735 19.000 0.014 0.000 0.795 359 A HN 1.315 nan 8.150 nan 0.000 0.458 360 A N -0.597 122.233 122.820 0.016 0.000 2.123 360 A HA 0.074 4.394 4.320 0.000 0.000 0.214 360 A C 1.977 179.573 177.584 0.020 0.000 1.152 360 A CA 1.441 53.487 52.037 0.015 0.000 0.728 360 A CB -0.202 18.804 19.000 0.009 0.000 0.814 360 A HN 0.501 nan 8.150 nan 0.000 0.464 361 K N -0.510 119.906 120.400 0.027 0.000 2.166 361 K HA 0.046 4.366 4.320 0.000 0.000 0.201 361 K C 1.977 178.613 176.600 0.060 0.000 1.052 361 K CA 0.935 57.246 56.287 0.039 0.000 0.969 361 K CB -0.365 32.157 32.500 0.036 0.000 0.761 361 K HN 0.312 nan 8.250 nan 0.000 0.459 362 G N 0.711 109.548 108.800 0.062 0.000 2.418 362 G HA2 -0.248 3.712 3.960 0.000 0.000 0.217 362 G HA3 -0.248 3.712 3.960 0.000 0.000 0.217 362 G C 1.339 176.265 174.900 0.042 0.000 1.158 362 G CA 0.432 45.574 45.100 0.070 0.000 0.771 362 G HN 0.308 nan 8.290 nan 0.000 0.545 363 Q N -0.077 119.741 119.800 0.030 0.000 2.378 363 Q HA 0.168 4.509 4.340 0.000 0.000 0.205 363 Q C 2.846 178.858 176.000 0.020 0.000 0.954 363 Q CA 0.656 56.470 55.803 0.019 0.000 0.901 363 Q CB 0.070 28.816 28.738 0.013 0.000 0.981 363 Q HN 0.499 nan 8.270 nan 0.000 0.483 364 A N 0.905 123.741 122.820 0.027 0.000 1.840 364 A HA -0.104 4.216 4.320 0.000 0.000 0.214 364 A C 2.028 179.630 177.584 0.030 0.000 1.198 364 A CA 0.789 52.842 52.037 0.027 0.000 0.608 364 A CB -0.671 18.346 19.000 0.029 0.000 0.839 364 A HN 0.278 nan 8.150 nan 0.000 0.443 365 L N -0.254 120.995 121.223 0.043 0.000 2.131 365 L HA -0.145 4.195 4.340 0.000 0.000 0.210 365 L C 2.654 179.534 176.870 0.016 0.000 1.092 365 L CA 1.581 56.445 54.840 0.041 0.000 0.759 365 L CB -0.825 41.282 42.059 0.080 0.000 0.903 365 L HN 0.359 nan 8.230 nan 0.000 0.435 366 T N -1.428 113.132 114.554 0.010 0.000 2.788 366 T HA -0.242 4.108 4.350 0.000 0.000 0.268 366 T C 1.862 176.565 174.700 0.006 0.000 1.044 366 T CA 1.240 63.339 62.100 -0.003 0.000 1.139 366 T CB -0.105 68.759 68.868 -0.006 0.000 0.867 366 T HN 0.186 nan 8.240 nan 0.000 0.454 367 Q N 1.069 120.877 119.800 0.013 0.000 2.123 367 Q HA -0.022 4.318 4.340 0.000 0.000 0.199 367 Q C 1.988 178.003 176.000 0.025 0.000 0.966 367 Q CA 1.420 57.232 55.803 0.014 0.000 0.845 367 Q CB -0.061 28.684 28.738 0.013 0.000 0.907 367 Q HN 0.606 nan 8.270 nan 0.000 0.439 368 E N -0.778 119.440 120.200 0.030 0.000 2.158 368 E HA -0.005 4.345 4.350 0.000 0.000 0.191 368 E C 1.783 178.427 176.600 0.073 0.000 0.982 368 E CA 0.760 57.187 56.400 0.045 0.000 0.823 368 E CB -0.105 29.613 29.700 0.031 0.000 0.766 368 E HN 0.411 nan 8.360 nan 0.000 0.468 369 A N 1.484 124.338 122.820 0.055 0.000 1.898 369 A HA -0.179 4.141 4.320 0.000 0.000 0.216 369 A C 1.794 179.434 177.584 0.093 0.000 1.181 369 A CA 1.474 53.561 52.037 0.083 0.000 0.620 369 A CB -0.452 18.566 19.000 0.030 0.000 0.819 369 A HN 0.104 nan 8.150 nan 0.000 0.442 370 N N 0.556 119.282 118.700 0.044 0.000 2.289 370 N HA -0.108 4.633 4.740 0.000 0.000 0.184 370 N C 1.068 176.586 175.510 0.014 0.000 1.016 370 N CA 1.433 54.493 53.050 0.016 0.000 0.872 370 N CB -0.212 38.274 38.487 -0.002 0.000 0.973 370 N HN 0.445 nan 8.380 nan 0.000 0.433 371 D N -0.573 119.856 120.400 0.049 0.000 2.103 371 D HA -0.091 4.549 4.640 0.000 0.000 0.199 371 D C 1.606 177.955 176.300 0.081 0.000 0.978 371 D CA 0.569 54.599 54.000 0.051 0.000 0.829 371 D CB -0.353 40.488 40.800 0.069 0.000 0.981 371 D HN 0.174 nan 8.370 nan 0.000 0.464 372 F N 1.469 121.410 119.950 -0.014 0.000 2.113 372 F HA -0.110 4.418 4.527 0.000 0.000 0.297 372 F C 2.434 178.222 175.800 -0.020 0.000 1.103 372 F CA 1.099 59.098 58.000 -0.001 0.000 1.248 372 F CB -0.323 38.690 39.000 0.022 0.000 0.999 372 F HN -0.203 nan 8.300 nan 0.000 0.475 373 S N -0.076 115.609 115.700 -0.024 0.000 2.507 373 S HA -0.164 4.307 4.470 0.000 0.000 0.235 373 S C 1.718 176.149 174.600 -0.282 0.000 0.988 373 S CA 1.022 59.127 58.200 -0.159 0.000 0.944 373 S CB -0.621 62.558 63.200 -0.034 0.000 0.762 373 S HN 0.486 nan 8.310 nan 0.000 0.526 374 N N 1.154 119.729 118.700 -0.209 0.000 2.251 374 N HA 0.140 4.881 4.740 0.000 0.000 0.181 374 N C 1.516 176.887 175.510 -0.232 0.000 1.019 374 N CA 0.860 53.777 53.050 -0.221 0.000 0.862 374 N CB -0.211 38.197 38.487 -0.132 0.000 0.992 374 N HN 0.316 nan 8.380 nan 0.000 0.429 375 L N 0.068 121.157 121.223 -0.223 0.000 2.005 375 L HA -0.106 4.234 4.340 0.000 0.000 0.207 375 L C 1.932 178.644 176.870 -0.262 0.000 1.072 375 L CA 0.682 55.394 54.840 -0.213 0.000 0.744 375 L CB -0.423 41.526 42.059 -0.183 0.000 0.895 375 L HN 0.202 nan 8.230 nan 0.000 0.433 376 I N 0.024 120.339 120.570 -0.425 0.000 2.163 376 I HA -0.336 3.834 4.170 0.000 0.000 0.243 376 I C 2.588 178.579 176.117 -0.210 0.000 1.085 376 I CA 1.518 62.616 61.300 -0.337 0.000 1.347 376 I CB -1.141 36.570 38.000 -0.483 0.000 1.044 376 I HN 0.458 nan 8.210 nan 0.000 0.408 377 Q N 0.628 120.202 119.800 -0.377 0.000 2.135 377 Q HA -0.192 4.148 4.340 0.000 0.000 0.204 377 Q C 2.202 178.056 176.000 -0.243 0.000 0.981 377 Q CA 2.163 57.631 55.803 -0.559 0.000 0.856 377 Q CB 0.046 28.124 28.738 -1.099 0.000 0.902 377 Q HN 0.497 nan 8.270 nan 0.000 0.425 378 A N 0.154 122.859 122.820 -0.191 0.000 1.898 378 A HA -0.143 4.177 4.320 0.000 0.000 0.214 378 A C 1.676 179.250 177.584 -0.016 0.000 1.183 378 A CA 1.381 53.360 52.037 -0.096 0.000 0.622 378 A CB -0.596 18.345 19.000 -0.099 0.000 0.824 378 A HN 0.544 nan 8.150 nan 0.000 0.444 379 D N 0.094 120.490 120.400 -0.007 0.000 2.087 379 D HA -0.139 4.501 4.640 0.000 0.000 0.192 379 D C 1.841 178.221 176.300 0.132 0.000 0.993 379 D CA 1.441 55.481 54.000 0.067 0.000 0.828 379 D CB -0.223 40.637 40.800 0.100 0.000 0.968 379 D HN 0.341 nan 8.370 nan 0.000 0.448 380 L N -0.162 121.143 121.223 0.135 0.000 2.127 380 L HA -0.068 4.272 4.340 0.000 0.000 0.211 380 L C 2.534 179.608 176.870 0.340 0.000 1.089 380 L CA 1.230 56.190 54.840 0.199 0.000 0.757 380 L CB -0.699 41.417 42.059 0.096 0.000 0.899 380 L HN 0.208 nan 8.230 nan 0.000 0.434 381 G N -1.152 107.814 108.800 0.277 0.000 2.418 381 G HA2 -0.302 3.658 3.960 0.000 0.000 0.217 381 G HA3 -0.302 3.658 3.960 0.000 0.000 0.217 381 G C 1.526 176.499 174.900 0.122 0.000 1.158 381 G CA 0.514 45.750 45.100 0.228 0.000 0.771 381 G HN 0.370 nan 8.290 nan 0.000 0.545 382 Q N -0.379 119.478 119.800 0.096 0.000 2.137 382 Q HA 0.069 4.410 4.340 0.000 0.000 0.198 382 Q C 2.638 178.683 176.000 0.075 0.000 0.960 382 Q CA 0.438 56.279 55.803 0.063 0.000 0.847 382 Q CB -0.107 28.659 28.738 0.046 0.000 0.915 382 Q HN 0.555 nan 8.270 nan 0.000 0.448 383 I N 1.101 121.741 120.570 0.116 0.000 2.208 383 I HA -0.333 3.837 4.170 0.000 0.000 0.245 383 I C 2.541 178.717 176.117 0.099 0.000 1.097 383 I CA 1.497 62.874 61.300 0.130 0.000 1.363 383 I CB -0.313 37.795 38.000 0.181 0.000 1.051 383 I HN 0.199 nan 8.210 nan 0.000 0.413 384 K N 1.575 122.024 120.400 0.081 0.000 2.057 384 K HA -0.188 4.133 4.320 0.000 0.000 0.207 384 K C 2.171 178.726 176.600 -0.074 0.000 1.049 384 K CA 1.656 57.893 56.287 -0.084 0.000 0.931 384 K CB -0.165 32.103 32.500 -0.387 0.000 0.714 384 K HN 0.270 nan 8.250 nan 0.000 0.440 385 A N 1.427 124.227 122.820 -0.033 0.000 1.930 385 A HA -0.189 4.131 4.320 0.000 0.000 0.217 385 A C 2.073 179.643 177.584 -0.024 0.000 1.175 385 A CA 1.505 53.522 52.037 -0.032 0.000 0.627 385 A CB -0.491 18.500 19.000 -0.014 0.000 0.815 385 A HN 0.657 nan 8.150 nan 0.000 0.443 386 Q N -0.513 119.285 119.800 -0.002 0.000 2.062 386 Q HA -0.136 4.204 4.340 0.000 0.000 0.196 386 Q C 1.197 177.172 176.000 -0.041 0.000 0.967 386 Q CA 1.186 56.976 55.803 -0.022 0.000 0.832 386 Q CB -0.533 28.208 28.738 0.005 0.000 0.899 386 Q HN 0.426 nan 8.270 nan 0.000 0.442 387 D N 1.873 122.317 120.400 0.073 0.000 2.127 387 D HA -0.185 4.455 4.640 0.000 0.000 0.190 387 D C 1.580 177.941 176.300 0.102 0.000 1.000 387 D CA 1.646 55.766 54.000 0.200 0.000 0.839 387 D CB -0.395 40.531 40.800 0.211 0.000 0.955 387 D HN 0.209 nan 8.370 nan 0.000 0.446 388 D N -0.013 120.409 120.400 0.036 0.000 2.116 388 D HA -0.155 4.485 4.640 0.000 0.000 0.193 388 D C 1.943 178.264 176.300 0.035 0.000 0.998 388 D CA 1.603 55.627 54.000 0.039 0.000 0.836 388 D CB -0.424 40.360 40.800 -0.027 0.000 0.951 388 D HN 0.212 nan 8.370 nan 0.000 0.449 389 A N 0.390 123.188 122.820 -0.036 0.000 1.855 389 A HA -0.090 4.230 4.320 0.000 0.000 0.215 389 A C 2.431 179.934 177.584 -0.135 0.000 1.191 389 A CA 0.946 52.939 52.037 -0.073 0.000 0.613 389 A CB -0.823 18.127 19.000 -0.083 0.000 0.829 389 A HN 0.209 nan 8.150 nan 0.000 0.442 390 L N -2.033 119.020 121.223 -0.284 0.000 2.093 390 L HA -0.161 4.180 4.340 0.000 0.000 0.208 390 L C 2.569 179.215 176.870 -0.373 0.000 1.085 390 L CA 1.601 56.118 54.840 -0.539 0.000 0.755 390 L CB -0.614 40.696 42.059 -1.247 0.000 0.904 390 L HN 0.638 nan 8.230 nan 0.000 0.435 391 Y N 1.060 121.226 120.300 -0.223 0.000 2.128 391 Y HA -0.272 4.278 4.550 0.000 0.000 0.284 391 Y C 2.440 178.350 175.900 0.016 0.000 1.154 391 Y CA 1.784 59.926 58.100 0.071 0.000 1.149 391 Y CB -0.081 38.479 38.460 0.166 0.000 0.976 391 Y HN 0.214 nan 8.280 nan 0.000 0.505 392 N N -0.160 118.455 118.700 -0.141 0.000 2.354 392 N HA -0.106 4.634 4.740 0.000 0.000 0.179 392 N C 1.496 176.902 175.510 -0.173 0.000 1.021 392 N CA 1.239 54.160 53.050 -0.215 0.000 0.887 392 N CB -0.060 38.394 38.487 -0.055 0.000 0.974 392 N HN 0.623 nan 8.380 nan 0.000 0.437 393 Q N 0.062 119.778 119.800 -0.140 0.000 2.259 393 Q HA 0.079 4.419 4.340 0.000 0.000 0.201 393 Q C 0.632 176.568 176.000 -0.106 0.000 0.938 393 Q CA 0.507 56.242 55.803 -0.113 0.000 0.872 393 Q CB 0.498 29.174 28.738 -0.104 0.000 0.971 393 Q HN 0.215 nan 8.270 nan 0.000 0.494 394 Q N 1.398 121.130 119.800 -0.114 0.000 2.339 394 Q HA 0.297 4.637 4.340 0.000 0.000 0.268 394 Q C -2.588 173.404 176.000 -0.014 0.000 1.027 394 Q CA -2.406 53.360 55.803 -0.061 0.000 0.759 394 Q CB 1.507 30.204 28.738 -0.068 0.000 1.244 394 Q HN -0.109 nan 8.270 nan 0.000 0.464 395 P HA 0.016 nan 4.420 nan 0.000 0.262 395 P C 0.247 177.576 177.300 0.048 0.000 1.182 395 P CA 1.180 64.277 63.100 -0.004 0.000 0.761 395 P CB 0.555 32.248 31.700 -0.011 0.000 0.795 396 G N 1.806 110.646 108.800 0.067 0.000 2.160 396 G HA2 -0.301 3.660 3.960 0.000 0.000 0.251 396 G HA3 -0.301 3.660 3.960 0.000 0.000 0.251 396 G C -0.172 174.789 174.900 0.102 0.000 1.008 396 G CA -0.342 44.808 45.100 0.083 0.000 0.724 396 G HN 0.562 nan 8.290 nan 0.000 0.514 397 Y N 1.033 121.351 120.300 0.030 0.000 2.377 397 Y HA 0.501 5.051 4.550 0.000 0.000 0.330 397 Y C 0.539 176.477 175.900 0.064 0.000 1.108 397 Y CA -0.377 57.752 58.100 0.049 0.000 1.308 397 Y CB 0.843 39.349 38.460 0.077 0.000 1.216 397 Y HN 0.610 nan 8.280 nan 0.000 0.518 398 A N 7.999 130.452 122.820 -0.612 0.000 2.260 398 A HA 0.428 4.748 4.320 0.000 0.000 0.312 398 A C -0.021 177.178 177.584 -0.641 0.000 1.321 398 A CA -0.793 50.945 52.037 -0.498 0.000 0.928 398 A CB -0.043 18.728 19.000 -0.382 0.000 1.158 398 A HN 0.923 nan 8.150 nan 0.000 0.542 399 R N 1.377 121.734 120.500 -0.239 0.000 2.640 399 R HA 0.066 4.406 4.340 0.000 0.000 0.270 399 R C 0.640 176.948 176.300 0.013 0.000 1.024 399 R CA 0.280 56.369 56.100 -0.019 0.000 1.085 399 R CB 0.643 31.032 30.300 0.148 0.000 0.963 399 R HN 0.766 nan 8.270 nan 0.000 0.426 400 R N 1.682 122.208 120.500 0.045 0.000 2.265 400 R HA 0.168 4.508 4.340 0.000 0.000 0.194 400 R C 0.488 176.859 176.300 0.119 0.000 0.931 400 R CA 0.556 56.692 56.100 0.061 0.000 1.032 400 R CB 0.127 30.461 30.300 0.056 0.000 0.980 400 R HN 0.553 nan 8.270 nan 0.000 0.497 401 I N -3.687 116.929 120.570 0.077 0.000 3.102 401 I HA 0.348 4.518 4.170 0.000 0.000 0.310 401 I C -0.966 174.885 176.117 -0.443 0.000 1.246 401 I CA -1.477 59.799 61.300 -0.039 0.000 0.979 401 I CB 1.889 39.860 38.000 -0.048 0.000 1.267 401 I HN -0.315 nan 8.210 nan 0.000 0.451 402 K N 3.008 122.994 120.400 -0.689 0.000 2.472 402 K HA 0.219 4.539 4.320 0.000 0.000 0.280 402 K C -2.236 174.134 176.600 -0.383 0.000 1.028 402 K CA -0.936 54.725 56.287 -1.044 0.000 1.045 402 K CB 0.218 32.574 32.500 -0.241 0.000 0.902 402 K HN 0.382 nan 8.250 nan 0.000 0.478 403 P HA -0.054 nan 4.420 nan 0.000 0.265 403 P C -0.978 176.329 177.300 0.012 0.000 1.187 403 P CA 0.384 63.390 63.100 -0.157 0.000 0.766 403 P CB 0.191 31.805 31.700 -0.144 0.000 0.820 404 F N 0.793 120.677 119.950 -0.110 0.000 2.685 404 F HA 0.703 5.230 4.527 0.000 0.000 0.315 404 F C -1.174 174.580 175.800 -0.077 0.000 1.126 404 F CA -1.593 56.346 58.000 -0.102 0.000 0.950 404 F CB 0.717 39.628 39.000 -0.147 0.000 1.360 404 F HN 0.189 nan 8.300 nan 0.000 0.469 405 V N 0.002 119.976 119.914 0.100 0.000 2.630 405 V HA 0.468 4.588 4.120 0.000 0.000 0.305 405 V C 0.383 176.576 176.094 0.165 0.000 1.046 405 V CA -0.763 61.551 62.300 0.022 0.000 0.934 405 V CB 1.422 33.258 31.823 0.021 0.000 1.003 405 V HN 0.915 nan 8.190 nan 0.000 0.451 406 N N 3.153 121.931 118.700 0.129 0.000 2.223 406 N HA -0.101 4.639 4.740 0.000 0.000 0.185 406 N C 1.858 177.523 175.510 0.259 0.000 1.016 406 N CA 1.749 54.971 53.050 0.287 0.000 0.863 406 N CB -0.325 38.290 38.487 0.214 0.000 0.983 406 N HN 1.008 nan 8.380 nan 0.000 0.429 407 G N 1.105 109.987 108.800 0.138 0.000 2.499 407 G HA2 -0.230 3.730 3.960 0.000 0.000 0.221 407 G HA3 -0.230 3.730 3.960 0.000 0.000 0.221 407 G C 1.049 175.987 174.900 0.065 0.000 1.109 407 G CA 0.651 45.811 45.100 0.100 0.000 0.749 407 G HN 0.242 nan 8.290 nan 0.000 0.568 408 D N -0.337 120.059 120.400 -0.006 0.000 2.350 408 D HA -0.054 4.587 4.640 0.000 0.000 0.216 408 D C 1.718 177.885 176.300 -0.221 0.000 0.968 408 D CA 0.404 54.310 54.000 -0.158 0.000 0.894 408 D CB -0.186 40.449 40.800 -0.274 0.000 0.909 408 D HN 0.679 nan 8.370 nan 0.000 0.520 409 W N 1.182 122.490 121.300 0.014 0.000 2.576 409 W HA -0.022 4.639 4.660 0.000 0.000 0.270 409 W C 1.315 177.826 176.519 -0.014 0.000 1.255 409 W CA 0.252 57.587 57.345 -0.016 0.000 1.314 409 W CB -0.318 29.140 29.460 -0.005 0.000 1.101 409 W HN -0.171 nan 8.180 nan 0.000 0.595 410 T N -1.272 113.402 114.554 0.200 0.000 2.855 410 T HA -0.016 4.334 4.350 0.000 0.000 0.322 410 T C -1.610 173.134 174.700 0.074 0.000 1.088 410 T CA -0.941 61.227 62.100 0.113 0.000 1.104 410 T CB 0.972 69.888 68.868 0.079 0.000 0.996 410 T HN -0.198 nan 8.240 nan 0.000 0.549 411 P HA 0.130 nan 4.420 nan 0.000 0.223 411 P C 1.360 178.672 177.300 0.019 0.000 1.151 411 P CA 1.283 64.402 63.100 0.032 0.000 0.787 411 P CB -0.611 31.102 31.700 0.023 0.000 0.788 412 G N 0.262 109.075 108.800 0.022 0.000 2.594 412 G HA2 -0.350 3.610 3.960 0.000 0.000 0.297 412 G HA3 -0.350 3.610 3.960 0.000 0.000 0.297 412 G C 0.456 175.368 174.900 0.020 0.000 1.273 412 G CA 0.594 45.705 45.100 0.018 0.000 0.974 412 G HN 0.211 nan 8.290 nan 0.000 0.552 413 M N 1.964 121.580 119.600 0.027 0.000 2.729 413 M HA 0.241 4.721 4.480 0.000 0.000 0.229 413 M C 2.148 178.465 176.300 0.028 0.000 1.280 413 M CA 1.200 56.522 55.300 0.036 0.000 1.012 413 M CB -0.220 32.419 32.600 0.064 0.000 1.603 413 M HN 0.528 nan 8.290 nan 0.000 0.452 414 T N -0.549 114.013 114.554 0.014 0.000 2.720 414 T HA -0.172 4.178 4.350 0.000 0.000 0.268 414 T C 2.058 176.748 174.700 -0.016 0.000 1.037 414 T CA 1.556 63.657 62.100 0.001 0.000 1.144 414 T CB -0.280 68.585 68.868 -0.006 0.000 0.864 414 T HN 0.577 nan 8.240 nan 0.000 0.444 415 A N 1.799 124.610 122.820 -0.015 0.000 1.849 415 A HA -0.281 4.040 4.320 0.000 0.000 0.217 415 A C 2.333 179.896 177.584 -0.036 0.000 1.202 415 A CA 2.170 54.192 52.037 -0.025 0.000 0.629 415 A CB -1.046 17.946 19.000 -0.014 0.000 0.834 415 A HN 0.479 nan 8.150 nan 0.000 0.447 416 Q N -0.473 119.314 119.800 -0.022 0.000 2.152 416 Q HA -0.108 4.232 4.340 0.000 0.000 0.206 416 Q C 2.277 178.209 176.000 -0.113 0.000 0.985 416 Q CA 2.088 57.871 55.803 -0.034 0.000 0.863 416 Q CB -0.551 28.197 28.738 0.016 0.000 0.904 416 Q HN 0.710 nan 8.270 nan 0.000 0.422 417 A N -0.020 122.738 122.820 -0.103 0.000 1.929 417 A HA -0.086 4.234 4.320 0.000 0.000 0.216 417 A C 2.017 179.485 177.584 -0.193 0.000 1.176 417 A CA 0.928 52.850 52.037 -0.192 0.000 0.628 417 A CB -0.533 18.454 19.000 -0.023 0.000 0.816 417 A HN 0.322 nan 8.150 nan 0.000 0.444 418 L N -0.666 120.485 121.223 -0.121 0.000 2.056 418 L HA -0.178 4.162 4.340 0.000 0.000 0.207 418 L C 3.110 179.907 176.870 -0.122 0.000 1.078 418 L CA 1.001 55.769 54.840 -0.119 0.000 0.749 418 L CB -0.585 41.421 42.059 -0.087 0.000 0.901 418 L HN 0.425 nan 8.230 nan 0.000 0.433 419 A N -0.151 122.609 122.820 -0.101 0.000 1.892 419 A HA -0.185 4.135 4.320 0.000 0.000 0.218 419 A C 2.333 179.864 177.584 -0.088 0.000 1.188 419 A CA 2.170 54.160 52.037 -0.078 0.000 0.631 419 A CB -0.912 18.054 19.000 -0.056 0.000 0.822 419 A HN 0.204 nan 8.150 nan 0.000 0.447 420 V N -0.181 119.643 119.914 -0.150 0.000 2.307 420 V HA -0.230 3.890 4.120 0.000 0.000 0.245 420 V C 2.534 178.559 176.094 -0.115 0.000 1.045 420 V CA 1.912 64.134 62.300 -0.130 0.000 1.024 420 V CB -0.807 30.822 31.823 -0.324 0.000 0.651 420 V HN 0.556 nan 8.190 nan 0.000 0.449 421 L N 0.263 121.304 121.223 -0.303 0.000 2.191 421 L HA -0.155 4.185 4.340 0.000 0.000 0.212 421 L C 2.684 179.395 176.870 -0.265 0.000 1.103 421 L CA 1.289 55.819 54.840 -0.518 0.000 0.769 421 L CB -0.773 41.006 42.059 -0.467 0.000 0.908 421 L HN 0.358 nan 8.230 nan 0.000 0.438 422 A N 0.207 122.944 122.820 -0.139 0.000 1.908 422 A HA -0.278 4.042 4.320 0.000 0.000 0.218 422 A C 2.471 180.040 177.584 -0.025 0.000 1.181 422 A CA 2.427 54.420 52.037 -0.074 0.000 0.627 422 A CB -1.090 17.875 19.000 -0.058 0.000 0.818 422 A HN 0.523 nan 8.150 nan 0.000 0.445 423 T N -3.553 111.019 114.554 0.031 0.000 2.929 423 T HA -0.092 4.258 4.350 0.000 0.000 0.271 423 T C 1.131 175.740 174.700 -0.151 0.000 1.085 423 T CA 1.028 63.149 62.100 0.035 0.000 1.125 423 T CB -0.668 68.274 68.868 0.124 0.000 0.874 423 T HN 0.196 nan 8.240 nan 0.000 0.494 424 F N 2.638 122.305 119.950 -0.472 0.000 2.717 424 F HA 0.167 4.694 4.527 0.000 0.000 0.296 424 F C 0.952 176.450 175.800 -0.503 0.000 1.268 424 F CA 0.111 57.673 58.000 -0.730 0.000 1.466 424 F CB -1.136 37.665 39.000 -0.332 0.000 1.120 424 F HN 0.148 nan 8.300 nan 0.000 0.596 425 T N 0.784 115.206 114.554 -0.219 0.000 3.390 425 T HA 0.653 5.003 4.350 0.000 0.000 0.351 425 T C 0.092 174.764 174.700 -0.046 0.000 1.759 425 T CA 0.146 62.189 62.100 -0.094 0.000 1.561 425 T CB -0.132 68.708 68.868 -0.048 0.000 1.011 425 T HN 0.379 nan 8.240 nan 0.000 0.689 426 A N 0.000 122.832 122.820 0.020 0.000 2.254 426 A HA 0.000 4.320 4.320 0.000 0.000 0.244 426 A CA 0.000 52.122 52.037 0.141 0.000 0.836 426 A CB 0.000 19.037 19.000 0.062 0.000 0.831 426 A HN 0.000 nan 8.150 nan 0.000 0.486