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 2frv_1_H DATA FIRST_RESID 7 DATA SEQUENCE NKIVVDPITR IEGHLRIEVE VEGGKIKNAW SMSTLFRGLE MILKGRDPRD DATA SEQUENCE AQHFTQRACG VCTYVHALAS VRAVDNCVGV KIPENATLMR NLTMGAQYMH DATA SEQUENCE DHLVHFYHLH ALDWVNVANA LNADPAKAAR LANDLSPKKT TTESLKAVQA DATA SEQUENCE KVKALVESGQ LGIFTNAYFL GGHPAYVLPA EVDLIATAHY LEALRVQVKA DATA SEQUENCE ARAMAIFGAK NPHTQFTVVG GCTNYDSLRP ERIAEFRKLY KEVREFIEQV DATA SEQUENCE YITDLLAVAG FYKNWAGIGK TSNFLTCGEF PTDEYDLNSR YTPQGVIWGN DATA SEQUENCE DLSKVDDFNP DLIEEHVKYS WYEGAGAHHP YKGVTKPKWT EFHGEDRYSW DATA SEQUENCE MKAPRYKGEA FEVGPLASVL VAYAKKHEPT VKAVDLVLKT LGVGPEALFS DATA SEQUENCE TLGRTAARGI QCLTAAQEVE VWLDKLEANV KAGKDDLYTD WQYPTESQGV DATA SEQUENCE GFVNAPRGML SHWIVQRGGK IENFQLVVPS TWNLGPRCAE GKLSAVEQAL DATA SEQUENCE IGTPIADPKR PVEILRTVHS YDPCIACGVH 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 7 N HA 0.000 nan 4.740 nan 0.000 0.220 7 N C 0.000 175.529 175.510 0.032 0.000 1.280 7 N CA 0.000 53.061 53.050 0.018 0.000 0.885 7 N CB 0.000 38.495 38.487 0.014 0.000 1.341 8 K N 0.894 121.308 120.400 0.023 0.000 2.118 8 K HA 0.686 5.006 4.320 0.001 0.000 0.254 8 K C -1.080 175.545 176.600 0.042 0.000 0.961 8 K CA -0.358 55.950 56.287 0.035 0.000 0.876 8 K CB 1.036 33.529 32.500 -0.011 0.000 1.077 8 K HN 0.371 nan 8.250 nan 0.000 0.440 9 I N 2.775 123.383 120.570 0.063 0.000 2.499 9 I HA 0.275 4.446 4.170 0.001 0.000 0.288 9 I C -1.216 174.949 176.117 0.081 0.000 1.048 9 I CA -1.151 60.189 61.300 0.066 0.000 1.062 9 I CB 1.995 40.036 38.000 0.068 0.000 1.238 9 I HN 0.276 nan 8.210 nan 0.000 0.426 10 V N 7.606 127.568 119.914 0.081 0.000 2.495 10 V HA 0.624 4.744 4.120 0.001 0.000 0.298 10 V C -1.012 175.149 176.094 0.110 0.000 1.031 10 V CA -0.253 62.104 62.300 0.096 0.000 0.871 10 V CB 2.026 33.906 31.823 0.094 0.000 0.988 10 V HN 0.411 nan 8.190 nan 0.000 0.432 11 V N 6.216 126.201 119.914 0.119 0.000 2.326 11 V HA 0.620 4.740 4.120 0.001 0.000 0.281 11 V C -0.761 175.410 176.094 0.129 0.000 1.015 11 V CA -0.231 62.148 62.300 0.131 0.000 0.823 11 V CB 1.156 33.062 31.823 0.139 0.000 1.009 11 V HN 0.986 nan 8.190 nan 0.000 0.436 12 D N 5.580 126.062 120.400 0.136 0.000 2.613 12 D HA 0.441 5.081 4.640 0.001 0.000 0.230 12 D C -2.353 174.029 176.300 0.137 0.000 1.365 12 D CA -0.660 53.429 54.000 0.148 0.000 0.976 12 D CB 2.826 43.734 40.800 0.178 0.000 1.415 12 D HN 0.437 nan 8.370 nan 0.000 0.589 13 P HA 0.416 nan 4.420 nan 0.000 0.276 13 P C -0.073 177.288 177.300 0.102 0.000 1.244 13 P CA -0.613 62.565 63.100 0.130 0.000 0.801 13 P CB 1.273 33.051 31.700 0.130 0.000 1.006 14 I N 2.074 122.700 120.570 0.094 0.000 2.416 14 I HA 0.086 4.257 4.170 0.001 0.000 0.288 14 I C 1.228 177.387 176.117 0.069 0.000 1.051 14 I CA 0.060 61.397 61.300 0.062 0.000 1.375 14 I CB 1.077 39.094 38.000 0.028 0.000 1.407 14 I HN 0.540 nan 8.210 nan 0.000 0.516 15 T N 3.265 117.867 114.554 0.081 0.000 2.897 15 T HA 0.453 4.804 4.350 0.001 0.000 0.278 15 T C 0.667 175.489 174.700 0.204 0.000 0.981 15 T CA -0.785 61.368 62.100 0.089 0.000 0.973 15 T CB 1.104 69.988 68.868 0.027 0.000 1.092 15 T HN 0.636 nan 8.240 nan 0.000 0.543 16 R N -0.223 120.366 120.500 0.149 0.000 3.525 16 R HA -0.141 4.200 4.340 0.001 0.000 0.276 16 R C -0.027 176.438 176.300 0.275 0.000 1.116 16 R CA 0.913 57.109 56.100 0.159 0.000 0.745 16 R CB -2.142 28.166 30.300 0.012 0.000 1.185 16 R HN 0.809 nan 8.270 nan 0.000 0.454 17 I N -4.837 115.866 120.570 0.223 0.000 3.343 17 I HA 0.575 4.746 4.170 0.001 0.000 0.315 17 I C -0.514 175.669 176.117 0.111 0.000 1.153 17 I CA -1.145 60.276 61.300 0.201 0.000 0.952 17 I CB 2.115 40.213 38.000 0.163 0.000 1.287 17 I HN -0.224 nan 8.210 nan 0.000 0.472 18 E N 1.559 121.818 120.200 0.098 0.000 2.156 18 E HA 0.593 4.944 4.350 0.001 0.000 0.279 18 E C -0.042 176.564 176.600 0.010 0.000 0.965 18 E CA 0.569 57.002 56.400 0.056 0.000 0.789 18 E CB 1.355 31.109 29.700 0.092 0.000 1.098 18 E HN 1.075 nan 8.360 nan 0.000 0.397 19 G N 4.043 112.782 108.800 -0.101 0.000 2.728 19 G HA2 -0.182 3.778 3.960 0.001 0.000 0.294 19 G HA3 -0.182 3.778 3.960 0.001 0.000 0.294 19 G C -0.852 173.845 174.900 -0.338 0.000 1.342 19 G CA -0.607 44.374 45.100 -0.198 0.000 0.866 19 G HN 0.708 nan 8.290 nan 0.000 0.534 20 H N -0.398 118.746 119.070 0.125 0.000 2.690 20 H HA 0.537 5.094 4.556 0.001 0.000 0.289 20 H C -0.123 175.303 175.328 0.163 0.000 1.089 20 H CA -0.203 55.930 56.048 0.142 0.000 1.299 20 H CB 1.307 31.159 29.762 0.149 0.000 1.405 20 H HN 0.515 nan 8.280 nan 0.000 0.463 21 L N 3.493 124.837 121.223 0.202 0.000 2.362 21 L HA 0.450 4.790 4.340 0.001 0.000 0.271 21 L C -0.367 176.602 176.870 0.164 0.000 1.002 21 L CA -0.710 54.235 54.840 0.175 0.000 0.818 21 L CB 1.951 44.082 42.059 0.120 0.000 1.298 21 L HN 0.549 nan 8.230 nan 0.000 0.420 22 R N 5.541 126.131 120.500 0.150 0.000 2.561 22 R HA 0.641 4.982 4.340 0.001 0.000 0.297 22 R C -1.821 174.542 176.300 0.105 0.000 0.969 22 R CA -0.682 55.496 56.100 0.130 0.000 0.879 22 R CB 1.265 31.639 30.300 0.124 0.000 1.178 22 R HN 0.648 nan 8.270 nan 0.000 0.445 23 I N 3.720 124.354 120.570 0.108 0.000 2.406 23 I HA 0.329 4.500 4.170 0.001 0.000 0.290 23 I C -0.413 175.782 176.117 0.130 0.000 0.999 23 I CA -0.603 60.766 61.300 0.115 0.000 1.124 23 I CB 1.922 39.981 38.000 0.098 0.000 1.289 23 I HN 0.715 nan 8.210 nan 0.000 0.441 24 E N 5.651 125.955 120.200 0.174 0.000 2.210 24 E HA 0.596 4.946 4.350 0.001 0.000 0.266 24 E C -0.941 175.867 176.600 0.345 0.000 0.883 24 E CA -0.693 55.817 56.400 0.185 0.000 0.761 24 E CB 3.122 32.865 29.700 0.073 0.000 1.156 24 E HN 0.454 nan 8.360 nan 0.000 0.412 25 V N -0.507 119.563 119.914 0.261 0.000 3.040 25 V HA 0.549 4.670 4.120 0.001 0.000 0.312 25 V C -0.685 175.557 176.094 0.246 0.000 1.115 25 V CA -0.915 61.549 62.300 0.273 0.000 0.998 25 V CB 2.139 34.046 31.823 0.139 0.000 1.042 25 V HN 0.635 nan 8.190 nan 0.000 0.433 26 E N 1.643 121.993 120.200 0.250 0.000 2.133 26 E HA 0.645 4.995 4.350 0.001 0.000 0.274 26 E C -1.139 175.512 176.600 0.084 0.000 0.930 26 E CA -0.580 55.922 56.400 0.170 0.000 0.770 26 E CB 2.171 31.985 29.700 0.190 0.000 1.104 26 E HN 0.695 nan 8.360 nan 0.000 0.403 27 V N 2.844 122.796 119.914 0.063 0.000 2.732 27 V HA 0.441 4.561 4.120 0.001 0.000 0.310 27 V C -0.279 175.833 176.094 0.029 0.000 1.053 27 V CA -0.570 61.754 62.300 0.040 0.000 0.957 27 V CB 1.668 33.516 31.823 0.041 0.000 1.018 27 V HN 0.803 nan 8.190 nan 0.000 0.452 28 E N 1.850 122.062 120.200 0.019 0.000 2.428 28 E HA 0.492 4.842 4.350 0.001 0.000 0.307 28 E C 0.041 176.646 176.600 0.008 0.000 0.902 28 E CA -0.152 56.256 56.400 0.013 0.000 0.799 28 E CB 0.922 30.627 29.700 0.009 0.000 1.351 28 E HN 1.258 nan 8.360 nan 0.000 0.392 29 G N 2.483 111.288 108.800 0.008 0.000 2.221 29 G HA2 -0.083 3.878 3.960 0.001 0.000 0.265 29 G HA3 -0.083 3.878 3.960 0.001 0.000 0.265 29 G C 1.018 175.922 174.900 0.007 0.000 1.041 29 G CA 0.616 45.720 45.100 0.006 0.000 0.807 29 G HN 1.968 nan 8.290 nan 0.000 0.502 30 G N -1.655 107.153 108.800 0.012 0.000 2.168 30 G HA2 -0.278 3.682 3.960 0.001 0.000 0.263 30 G HA3 -0.278 3.682 3.960 0.001 0.000 0.263 30 G C 0.240 175.150 174.900 0.017 0.000 0.977 30 G CA 1.361 46.470 45.100 0.016 0.000 0.659 30 G HN 1.056 nan 8.290 nan 0.000 0.533 31 K N -0.395 120.013 120.400 0.012 0.000 2.371 31 K HA 0.607 4.927 4.320 0.001 0.000 0.251 31 K C 0.516 177.123 176.600 0.012 0.000 0.934 31 K CA -1.115 55.177 56.287 0.008 0.000 0.798 31 K CB 1.677 34.175 32.500 -0.004 0.000 1.204 31 K HN 0.154 nan 8.250 nan 0.000 0.427 32 I N 3.566 124.146 120.570 0.016 0.000 2.668 32 I HA -0.108 4.062 4.170 0.001 0.000 0.285 32 I C 1.264 177.375 176.117 -0.010 0.000 1.168 32 I CA 0.535 61.844 61.300 0.014 0.000 1.424 32 I CB 0.376 38.390 38.000 0.022 0.000 1.377 32 I HN 0.644 nan 8.210 nan 0.000 0.560 33 K N 4.637 125.027 120.400 -0.017 0.000 2.370 33 K HA 0.238 4.558 4.320 0.001 0.000 0.194 33 K C 0.214 176.758 176.600 -0.092 0.000 1.070 33 K CA 0.301 56.565 56.287 -0.038 0.000 0.998 33 K CB 0.461 32.952 32.500 -0.015 0.000 0.911 33 K HN 0.519 nan 8.250 nan 0.000 0.533 34 N N -0.409 118.209 118.700 -0.137 0.000 2.591 34 N HA 0.653 5.393 4.740 0.001 0.000 0.263 34 N C -2.056 173.165 175.510 -0.482 0.000 1.308 34 N CA -0.190 52.642 53.050 -0.365 0.000 0.837 34 N CB 2.319 40.519 38.487 -0.479 0.000 1.548 34 N HN 0.238 nan 8.380 nan 0.000 0.493 35 A N 0.796 123.090 122.820 -0.877 0.000 2.604 35 A HA 0.718 5.039 4.320 0.001 0.000 0.295 35 A C -2.032 175.059 177.584 -0.821 0.000 1.067 35 A CA -0.700 51.001 52.037 -0.560 0.000 0.683 35 A CB 1.381 20.248 19.000 -0.221 0.000 1.281 35 A HN 0.461 nan 8.150 nan 0.000 0.407 36 W N 1.046 122.242 121.300 -0.173 0.000 2.900 36 W HA 0.520 5.180 4.660 0.000 0.000 0.336 36 W C -0.097 176.368 176.519 -0.090 0.000 1.064 36 W CA -0.576 56.584 57.345 -0.308 0.000 1.237 36 W CB 2.356 31.486 29.460 -0.550 0.000 1.391 36 W HN 0.740 nan 8.180 nan 0.000 0.468 37 S N 4.404 120.259 115.700 0.258 0.000 2.420 37 S HA 0.587 5.058 4.470 0.001 0.000 0.313 37 S C -0.404 174.343 174.600 0.244 0.000 1.079 37 S CA -0.434 57.883 58.200 0.196 0.000 1.104 37 S CB -0.035 63.234 63.200 0.115 0.000 0.969 37 S HN 0.423 nan 8.310 nan 0.000 0.471 38 M N 4.305 124.000 119.600 0.159 0.000 2.047 38 M HA 0.307 4.788 4.480 0.001 0.000 0.342 38 M C -0.349 176.036 176.300 0.143 0.000 1.058 38 M CA -0.372 54.986 55.300 0.097 0.000 0.991 38 M CB 1.602 34.162 32.600 -0.066 0.000 1.474 38 M HN 0.405 nan 8.290 nan 0.000 0.419 39 S N 1.480 117.292 115.700 0.187 0.000 2.465 39 S HA 0.241 4.712 4.470 0.001 0.000 0.279 39 S C 1.065 175.979 174.600 0.524 0.000 1.201 39 S CA -0.645 57.738 58.200 0.306 0.000 1.053 39 S CB 0.614 63.982 63.200 0.279 0.000 0.953 39 S HN 0.786 nan 8.310 nan 0.000 0.488 40 T N 0.505 115.370 114.554 0.518 0.000 3.176 40 T HA 0.379 4.729 4.350 0.001 0.000 0.263 40 T C -0.082 174.895 174.700 0.462 0.000 1.021 40 T CA -0.307 62.163 62.100 0.617 0.000 0.905 40 T CB -0.463 68.704 68.868 0.500 0.000 1.057 40 T HN 0.361 nan 8.240 nan 0.000 0.558 41 L N 0.723 122.158 121.223 0.352 0.000 2.408 41 L HA 0.836 5.177 4.340 0.001 0.000 0.268 41 L C -1.852 174.979 176.870 -0.065 0.000 0.986 41 L CA -1.399 53.481 54.840 0.067 0.000 0.820 41 L CB 2.114 44.222 42.059 0.082 0.000 1.303 41 L HN 0.209 nan 8.230 nan 0.000 0.411 42 F N 4.456 124.064 119.950 -0.570 0.000 2.507 42 F HA 0.615 5.143 4.527 0.001 0.000 0.325 42 F C 0.502 176.077 175.800 -0.374 0.000 1.116 42 F CA -0.316 57.307 58.000 -0.627 0.000 0.930 42 F CB 1.828 40.002 39.000 -1.377 0.000 1.146 42 F HN 0.644 nan 8.300 nan 0.000 0.447 43 R N 2.753 122.714 120.500 -0.899 0.000 2.225 43 R HA 0.296 4.637 4.340 0.001 0.000 0.194 43 R C 0.484 176.284 176.300 -0.833 0.000 0.949 43 R CA 0.379 56.108 56.100 -0.618 0.000 1.088 43 R CB 0.463 30.569 30.300 -0.322 0.000 1.106 43 R HN 0.963 nan 8.270 nan 0.000 0.566 44 G N 1.791 109.798 108.800 -1.322 0.000 2.341 44 G HA2 -0.193 3.768 3.960 0.001 0.000 0.278 44 G HA3 -0.193 3.768 3.960 0.001 0.000 0.278 44 G C 0.262 175.009 174.900 -0.255 0.000 1.111 44 G CA -0.279 44.321 45.100 -0.833 0.000 0.982 44 G HN 0.059 nan 8.290 nan 0.000 0.502 45 L N -0.026 121.092 121.223 -0.176 0.000 2.093 45 L HA 0.085 4.426 4.340 0.001 0.000 0.208 45 L C 2.636 179.465 176.870 -0.068 0.000 1.085 45 L CA 2.620 57.408 54.840 -0.087 0.000 0.755 45 L CB -0.457 41.558 42.059 -0.074 0.000 0.904 45 L HN 0.595 nan 8.230 nan 0.000 0.435 46 E N -1.082 119.123 120.200 0.008 0.000 2.153 46 E HA -0.219 4.132 4.350 0.001 0.000 0.194 46 E C 2.175 178.793 176.600 0.029 0.000 0.988 46 E CA 1.232 57.657 56.400 0.042 0.000 0.811 46 E CB -0.237 29.538 29.700 0.125 0.000 0.746 46 E HN 0.474 nan 8.360 nan 0.000 0.466 47 M N 0.120 119.749 119.600 0.048 0.000 2.229 47 M HA -0.078 4.402 4.480 0.001 0.000 0.264 47 M C 2.144 178.434 176.300 -0.017 0.000 1.063 47 M CA 1.198 56.527 55.300 0.049 0.000 1.114 47 M CB -0.083 32.582 32.600 0.109 0.000 1.387 47 M HN 0.107 nan 8.290 nan 0.000 0.420 48 I N -0.288 120.243 120.570 -0.064 0.000 2.500 48 I HA -0.214 3.956 4.170 0.001 0.000 0.252 48 I C 2.114 178.069 176.117 -0.270 0.000 1.142 48 I CA 0.586 61.810 61.300 -0.126 0.000 1.451 48 I CB -0.134 37.816 38.000 -0.083 0.000 1.093 48 I HN 0.221 nan 8.210 nan 0.000 0.430 49 L N 0.637 121.690 121.223 -0.284 0.000 2.056 49 L HA -0.042 4.298 4.340 0.001 0.000 0.207 49 L C 1.284 178.042 176.870 -0.187 0.000 1.078 49 L CA 1.323 55.955 54.840 -0.348 0.000 0.749 49 L CB -0.758 41.117 42.059 -0.306 0.000 0.901 49 L HN 0.014 nan 8.230 nan 0.000 0.433 50 K N 0.735 121.081 120.400 -0.090 0.000 2.472 50 K HA -0.084 4.236 4.320 0.001 0.000 0.269 50 K C 1.185 177.751 176.600 -0.057 0.000 1.056 50 K CA 1.049 57.313 56.287 -0.038 0.000 1.158 50 K CB -0.606 31.883 32.500 -0.018 0.000 0.821 50 K HN 0.514 nan 8.250 nan 0.000 0.486 51 G N 3.277 112.056 108.800 -0.036 0.000 2.168 51 G HA2 -0.325 3.636 3.960 0.001 0.000 0.263 51 G HA3 -0.325 3.636 3.960 0.001 0.000 0.263 51 G C 0.399 175.268 174.900 -0.053 0.000 0.977 51 G CA 0.609 45.686 45.100 -0.038 0.000 0.659 51 G HN 0.620 nan 8.290 nan 0.000 0.533 52 R N -0.048 120.404 120.500 -0.081 0.000 2.531 52 R HA 0.387 4.727 4.340 0.001 0.000 0.260 52 R C -0.300 175.981 176.300 -0.030 0.000 1.144 52 R CA -0.621 55.426 56.100 -0.088 0.000 1.171 52 R CB 0.300 30.467 30.300 -0.221 0.000 1.199 52 R HN 0.176 nan 8.270 nan 0.000 0.594 53 D N 1.111 121.519 120.400 0.013 0.000 2.343 53 D HA 0.069 4.709 4.640 0.001 0.000 0.255 53 D C -1.703 174.677 176.300 0.133 0.000 1.187 53 D CA -1.996 52.055 54.000 0.084 0.000 0.875 53 D CB 1.341 42.220 40.800 0.131 0.000 1.136 53 D HN 0.102 nan 8.370 nan 0.000 0.469 54 P HA -0.123 nan 4.420 nan 0.000 0.218 54 P C 1.087 178.527 177.300 0.233 0.000 1.146 54 P CA 1.035 64.278 63.100 0.238 0.000 0.813 54 P CB 0.227 32.121 31.700 0.322 0.000 0.778 55 R N -0.872 119.805 120.500 0.295 0.000 2.237 55 R HA -0.080 4.260 4.340 0.001 0.000 0.219 55 R C 1.206 177.641 176.300 0.225 0.000 1.080 55 R CA 1.020 57.275 56.100 0.258 0.000 0.995 55 R CB -0.397 30.108 30.300 0.342 0.000 0.875 55 R HN 0.253 nan 8.270 nan 0.000 0.462 56 D N 0.204 120.743 120.400 0.232 0.000 2.240 56 D HA 0.040 4.680 4.640 0.001 0.000 0.206 56 D C 1.772 178.227 176.300 0.259 0.000 0.963 56 D CA 0.824 55.019 54.000 0.326 0.000 0.863 56 D CB -0.157 40.829 40.800 0.309 0.000 0.973 56 D HN 0.104 nan 8.370 nan 0.000 0.501 57 A N 1.903 124.762 122.820 0.065 0.000 1.909 57 A HA -0.376 3.944 4.320 0.001 0.000 0.221 57 A C 2.165 179.700 177.584 -0.082 0.000 1.223 57 A CA 2.967 54.927 52.037 -0.128 0.000 0.658 57 A CB -1.200 17.662 19.000 -0.229 0.000 0.831 57 A HN 0.467 nan 8.150 nan 0.000 0.462 58 Q N -1.821 117.915 119.800 -0.106 0.000 2.152 58 Q HA -0.275 4.065 4.340 0.001 0.000 0.206 58 Q C 1.829 177.696 176.000 -0.222 0.000 0.985 58 Q CA 1.940 57.630 55.803 -0.189 0.000 0.863 58 Q CB -0.668 27.898 28.738 -0.287 0.000 0.904 58 Q HN 0.817 nan 8.270 nan 0.000 0.422 59 H N -0.895 118.194 119.070 0.032 0.000 2.436 59 H HA 0.005 4.562 4.556 0.001 0.000 0.294 59 H C 1.621 176.849 175.328 -0.167 0.000 1.048 59 H CA 1.126 57.133 56.048 -0.068 0.000 1.353 59 H CB -0.146 29.564 29.762 -0.087 0.000 1.414 59 H HN 0.306 nan 8.280 nan 0.000 0.536 60 F N 1.349 121.273 119.950 -0.044 0.000 2.098 60 F HA -0.168 4.360 4.527 0.001 0.000 0.294 60 F C 2.924 178.618 175.800 -0.176 0.000 1.107 60 F CA 1.742 59.672 58.000 -0.117 0.000 1.234 60 F CB -0.701 38.204 39.000 -0.160 0.000 1.002 60 F HN 0.173 nan 8.300 nan 0.000 0.472 61 T N -2.128 112.414 114.554 -0.021 0.000 2.788 61 T HA -0.259 4.091 4.350 0.001 0.000 0.268 61 T C 1.881 176.535 174.700 -0.076 0.000 1.044 61 T CA 1.387 63.423 62.100 -0.107 0.000 1.139 61 T CB -0.715 68.113 68.868 -0.066 0.000 0.867 61 T HN 0.332 nan 8.240 nan 0.000 0.454 62 Q N 0.540 120.321 119.800 -0.032 0.000 2.197 62 Q HA -0.126 4.214 4.340 0.001 0.000 0.207 62 Q C 1.823 177.746 176.000 -0.128 0.000 0.984 62 Q CA 1.166 56.958 55.803 -0.017 0.000 0.869 62 Q CB -0.043 28.650 28.738 -0.076 0.000 0.906 62 Q HN 0.306 nan 8.270 nan 0.000 0.426 63 R N -0.545 119.820 120.500 -0.224 0.000 2.328 63 R HA 0.100 4.440 4.340 0.001 0.000 0.200 63 R C 1.394 177.657 176.300 -0.062 0.000 0.983 63 R CA 0.661 56.656 56.100 -0.174 0.000 1.062 63 R CB -0.507 29.683 30.300 -0.183 0.000 0.956 63 R HN 0.283 nan 8.270 nan 0.000 0.479 64 A N -0.956 121.777 122.820 -0.145 0.000 2.067 64 A HA -0.024 4.297 4.320 0.001 0.000 0.219 64 A C 0.666 178.241 177.584 -0.014 0.000 1.158 64 A CA 0.844 52.782 52.037 -0.165 0.000 0.661 64 A CB 0.047 18.753 19.000 -0.489 0.000 0.801 64 A HN 0.365 nan 8.150 nan 0.000 0.452 65 C N -3.069 116.283 119.300 0.086 0.000 3.046 65 C HA 0.552 5.013 4.460 0.001 0.000 0.388 65 C C 1.198 176.370 174.990 0.304 0.000 1.041 65 C CA -0.217 58.921 59.018 0.200 0.000 1.241 65 C CB 0.901 28.784 27.740 0.237 0.000 1.638 65 C HN 0.493 nan 8.230 nan 0.000 0.539 66 G N 2.680 111.608 108.800 0.214 0.000 3.088 66 G HA2 0.232 4.192 3.960 0.001 0.000 0.217 66 G HA3 0.232 4.192 3.960 0.001 0.000 0.217 66 G C 0.908 175.829 174.900 0.034 0.000 1.159 66 G CA 0.972 46.099 45.100 0.045 0.000 0.760 66 G HN 0.695 nan 8.290 nan 0.000 0.550 67 V N 0.905 120.884 119.914 0.108 0.000 2.341 67 V HA -0.043 4.077 4.120 0.001 0.000 0.240 67 V C 2.111 178.296 176.094 0.152 0.000 1.035 67 V CA 1.396 63.770 62.300 0.125 0.000 1.033 67 V CB -0.223 31.678 31.823 0.130 0.000 0.678 67 V HN 0.565 nan 8.190 nan 0.000 0.464 68 C N 0.960 120.362 119.300 0.170 0.000 2.687 68 C HA 0.477 4.937 4.460 0.001 0.000 0.490 68 C C 0.939 176.063 174.990 0.225 0.000 1.265 68 C CA -0.986 58.133 59.018 0.168 0.000 1.569 68 C CB -2.096 25.723 27.740 0.131 0.000 2.080 68 C HN 0.388 nan 8.230 nan 0.000 0.618 69 T N 0.455 115.149 114.554 0.234 0.000 2.926 69 T HA 0.280 4.630 4.350 0.001 0.000 0.307 69 T C 0.382 175.306 174.700 0.373 0.000 1.059 69 T CA 1.552 63.837 62.100 0.309 0.000 1.122 69 T CB 0.199 69.182 68.868 0.191 0.000 0.972 69 T HN 1.311 nan 8.240 nan 0.000 0.545 70 Y N 2.385 122.822 120.300 0.228 0.000 2.732 70 Y HA -0.398 4.152 4.550 0.001 0.000 0.478 70 Y C 1.693 177.653 175.900 0.101 0.000 1.224 70 Y CA 3.343 61.548 58.100 0.175 0.000 2.687 70 Y CB -2.072 36.493 38.460 0.175 0.000 1.030 70 Y HN 0.525 nan 8.280 nan 0.000 0.559 71 V N 0.059 119.831 119.914 -0.237 0.000 2.370 71 V HA -0.327 3.793 4.120 0.001 0.000 0.252 71 V C 2.173 177.973 176.094 -0.491 0.000 1.068 71 V CA 2.801 64.843 62.300 -0.430 0.000 1.061 71 V CB -0.964 30.707 31.823 -0.252 0.000 0.656 71 V HN 0.739 nan 8.190 nan 0.000 0.455 72 H N 0.444 119.423 119.070 -0.152 0.000 2.436 72 H HA 0.246 4.802 4.556 0.001 0.000 0.294 72 H C 2.525 177.780 175.328 -0.122 0.000 1.048 72 H CA 1.471 57.475 56.048 -0.074 0.000 1.353 72 H CB -0.115 29.736 29.762 0.148 0.000 1.414 72 H HN 0.621 nan 8.280 nan 0.000 0.536 73 A N 1.669 124.460 122.820 -0.048 0.000 1.877 73 A HA -0.117 4.203 4.320 0.001 0.000 0.216 73 A C 2.583 180.029 177.584 -0.230 0.000 1.186 73 A CA 0.886 52.867 52.037 -0.094 0.000 0.620 73 A CB -0.902 18.101 19.000 0.004 0.000 0.822 73 A HN 0.294 nan 8.150 nan 0.000 0.443 74 L N -0.685 120.274 121.223 -0.439 0.000 1.989 74 L HA -0.237 4.103 4.340 0.001 0.000 0.211 74 L C 2.991 179.620 176.870 -0.402 0.000 1.071 74 L CA 1.773 56.334 54.840 -0.465 0.000 0.749 74 L CB -0.606 41.038 42.059 -0.690 0.000 0.890 74 L HN 0.455 nan 8.230 nan 0.000 0.431 75 A N -1.451 121.064 122.820 -0.508 0.000 1.972 75 A HA -0.201 4.119 4.320 0.001 0.000 0.219 75 A C 2.405 179.733 177.584 -0.426 0.000 1.169 75 A CA 2.034 53.700 52.037 -0.618 0.000 0.635 75 A CB -0.531 17.813 19.000 -1.094 0.000 0.810 75 A HN 0.492 nan 8.150 nan 0.000 0.446 76 S N -0.713 114.874 115.700 -0.187 0.000 2.357 76 S HA -0.121 4.349 4.470 0.001 0.000 0.221 76 S C 2.095 176.689 174.600 -0.010 0.000 1.031 76 S CA 1.543 59.848 58.200 0.176 0.000 0.982 76 S CB -0.553 62.808 63.200 0.269 0.000 0.853 76 S HN 0.854 nan 8.310 nan 0.000 0.458 77 V N 0.749 120.585 119.914 -0.130 0.000 2.515 77 V HA -0.040 4.081 4.120 0.001 0.000 0.250 77 V C 1.978 177.934 176.094 -0.229 0.000 1.058 77 V CA 1.411 63.601 62.300 -0.184 0.000 1.064 77 V CB -0.749 30.950 31.823 -0.207 0.000 0.675 77 V HN 0.293 nan 8.190 nan 0.000 0.461 78 R N 0.848 121.194 120.500 -0.258 0.000 2.115 78 R HA 0.172 4.512 4.340 0.001 0.000 0.226 78 R C 2.526 178.638 176.300 -0.313 0.000 1.100 78 R CA 1.313 57.231 56.100 -0.303 0.000 0.980 78 R CB -0.550 29.548 30.300 -0.338 0.000 0.875 78 R HN 0.616 nan 8.270 nan 0.000 0.445 79 A N 0.596 123.249 122.820 -0.279 0.000 1.929 79 A HA -0.060 4.261 4.320 0.001 0.000 0.216 79 A C 2.204 179.677 177.584 -0.184 0.000 1.176 79 A CA 1.059 52.931 52.037 -0.274 0.000 0.628 79 A CB -0.131 18.701 19.000 -0.281 0.000 0.816 79 A HN 0.101 nan 8.150 nan 0.000 0.444 80 V N 0.280 120.105 119.914 -0.148 0.000 2.649 80 V HA -0.127 3.993 4.120 0.001 0.000 0.248 80 V C 1.914 177.848 176.094 -0.267 0.000 1.054 80 V CA 1.674 63.884 62.300 -0.151 0.000 1.073 80 V CB -0.729 31.030 31.823 -0.107 0.000 0.699 80 V HN 0.408 nan 8.190 nan 0.000 0.463 81 D N 0.871 121.092 120.400 -0.298 0.000 2.084 81 D HA -0.189 4.452 4.640 0.001 0.000 0.194 81 D C 2.051 178.264 176.300 -0.146 0.000 0.990 81 D CA 1.839 55.664 54.000 -0.292 0.000 0.826 81 D CB -0.470 40.170 40.800 -0.267 0.000 0.971 81 D HN 0.441 nan 8.370 nan 0.000 0.453 82 N N 0.194 118.790 118.700 -0.173 0.000 2.104 82 N HA -0.165 4.575 4.740 0.001 0.000 0.190 82 N C 1.865 177.383 175.510 0.013 0.000 1.024 82 N CA 1.716 54.708 53.050 -0.097 0.000 0.853 82 N CB -0.240 38.109 38.487 -0.229 0.000 1.008 82 N HN 0.337 nan 8.380 nan 0.000 0.424 83 C N -1.429 117.851 119.300 -0.034 0.000 2.522 83 C HA 0.278 4.739 4.460 0.001 0.000 0.271 83 C C 1.853 176.876 174.990 0.055 0.000 1.425 83 C CA -0.165 58.865 59.018 0.021 0.000 1.751 83 C CB -1.080 26.675 27.740 0.024 0.000 1.775 83 C HN 0.244 nan 8.230 nan 0.000 0.557 84 V N 0.803 120.734 119.914 0.028 0.000 3.528 84 V HA 0.401 4.521 4.120 0.001 0.000 0.294 84 V C 1.919 178.054 176.094 0.068 0.000 1.404 84 V CA 1.148 63.484 62.300 0.059 0.000 1.065 84 V CB -0.079 31.692 31.823 -0.085 0.000 0.904 84 V HN 0.762 nan 8.190 nan 0.000 0.435 85 G N 0.943 109.787 108.800 0.075 0.000 2.203 85 G HA2 -0.236 3.725 3.960 0.001 0.000 0.263 85 G HA3 -0.236 3.725 3.960 0.001 0.000 0.263 85 G C 0.358 175.283 174.900 0.042 0.000 1.012 85 G CA 0.700 45.844 45.100 0.074 0.000 0.749 85 G HN 0.600 nan 8.290 nan 0.000 0.512 86 V N 0.019 119.966 119.914 0.056 0.000 2.686 86 V HA 0.541 4.661 4.120 0.001 0.000 0.295 86 V C 0.417 176.560 176.094 0.082 0.000 1.055 86 V CA -0.354 61.956 62.300 0.015 0.000 1.050 86 V CB 1.418 33.201 31.823 -0.067 0.000 0.984 86 V HN 0.163 nan 8.190 nan 0.000 0.482 87 K N 7.710 128.120 120.400 0.017 0.000 2.414 87 K HA 0.354 4.675 4.320 0.001 0.000 0.251 87 K C -0.229 176.364 176.600 -0.012 0.000 1.037 87 K CA -0.414 55.891 56.287 0.029 0.000 0.980 87 K CB 1.038 33.511 32.500 -0.045 0.000 1.280 87 K HN 0.807 nan 8.250 nan 0.000 0.451 88 I N 1.023 121.583 120.570 -0.017 0.000 2.720 88 I HA 0.373 4.544 4.170 0.001 0.000 0.287 88 I C -2.229 173.868 176.117 -0.033 0.000 1.090 88 I CA -1.894 59.370 61.300 -0.059 0.000 1.384 88 I CB 0.586 38.532 38.000 -0.090 0.000 1.420 88 I HN 0.212 nan 8.210 nan 0.000 0.575 89 P HA 0.073 nan 4.420 nan 0.000 0.272 89 P C 0.390 177.678 177.300 -0.020 0.000 1.223 89 P CA -0.170 62.925 63.100 -0.009 0.000 0.784 89 P CB 0.629 32.338 31.700 0.016 0.000 0.923 90 E N 1.538 121.730 120.200 -0.013 0.000 2.097 90 E HA -0.317 4.033 4.350 0.001 0.000 0.196 90 E C 1.171 177.745 176.600 -0.043 0.000 1.000 90 E CA 1.533 57.920 56.400 -0.022 0.000 0.804 90 E CB -0.157 29.538 29.700 -0.008 0.000 0.740 90 E HN 0.322 nan 8.360 nan 0.000 0.454 91 N N -0.085 118.595 118.700 -0.033 0.000 2.309 91 N HA -0.097 4.643 4.740 0.001 0.000 0.182 91 N C 1.319 176.780 175.510 -0.081 0.000 1.018 91 N CA 1.133 54.150 53.050 -0.054 0.000 0.876 91 N CB -0.222 38.252 38.487 -0.021 0.000 0.972 91 N HN 0.260 nan 8.380 nan 0.000 0.434 92 A N -0.493 122.288 122.820 -0.065 0.000 2.016 92 A HA 0.013 4.333 4.320 0.001 0.000 0.217 92 A C 2.280 179.802 177.584 -0.104 0.000 1.162 92 A CA 1.239 53.230 52.037 -0.078 0.000 0.662 92 A CB -0.614 18.346 19.000 -0.066 0.000 0.812 92 A HN 0.197 nan 8.150 nan 0.000 0.450 93 T N 0.560 115.049 114.554 -0.107 0.000 2.701 93 T HA -0.067 4.284 4.350 0.001 0.000 0.263 93 T C 1.837 176.412 174.700 -0.209 0.000 1.040 93 T CA 1.442 63.460 62.100 -0.136 0.000 1.147 93 T CB -0.382 68.422 68.868 -0.106 0.000 0.865 93 T HN 0.360 nan 8.240 nan 0.000 0.426 94 L N 0.692 121.788 121.223 -0.211 0.000 2.012 94 L HA -0.140 4.200 4.340 0.001 0.000 0.210 94 L C 2.685 179.334 176.870 -0.367 0.000 1.073 94 L CA 1.595 56.262 54.840 -0.289 0.000 0.748 94 L CB -0.518 41.436 42.059 -0.176 0.000 0.891 94 L HN 0.325 nan 8.230 nan 0.000 0.431 95 M N -0.543 118.860 119.600 -0.328 0.000 2.213 95 M HA -0.220 4.260 4.480 0.001 0.000 0.263 95 M C 2.358 178.517 176.300 -0.235 0.000 1.062 95 M CA 1.643 56.681 55.300 -0.436 0.000 1.105 95 M CB -0.005 32.406 32.600 -0.314 0.000 1.385 95 M HN 0.044 nan 8.290 nan 0.000 0.417 96 R N 0.047 120.496 120.500 -0.084 0.000 2.115 96 R HA -0.045 4.295 4.340 0.001 0.000 0.226 96 R C 1.721 178.015 176.300 -0.009 0.000 1.100 96 R CA 1.575 57.721 56.100 0.076 0.000 0.980 96 R CB -0.206 30.108 30.300 0.023 0.000 0.875 96 R HN 0.438 nan 8.270 nan 0.000 0.445 97 N N 0.150 118.701 118.700 -0.248 0.000 2.207 97 N HA -0.047 4.693 4.740 0.001 0.000 0.182 97 N C 1.590 176.885 175.510 -0.358 0.000 1.020 97 N CA 0.908 53.691 53.050 -0.445 0.000 0.858 97 N CB -0.044 37.781 38.487 -1.103 0.000 0.991 97 N HN 0.131 nan 8.380 nan 0.000 0.427 98 L N 0.349 121.382 121.223 -0.317 0.000 2.093 98 L HA -0.111 4.229 4.340 0.001 0.000 0.208 98 L C 1.889 178.791 176.870 0.054 0.000 1.085 98 L CA 1.067 55.859 54.840 -0.079 0.000 0.755 98 L CB -0.540 41.234 42.059 -0.475 0.000 0.904 98 L HN 0.171 nan 8.230 nan 0.000 0.435 99 T N -0.683 113.832 114.554 -0.066 0.000 2.867 99 T HA -0.213 4.138 4.350 0.001 0.000 0.268 99 T C 1.730 176.448 174.700 0.030 0.000 1.057 99 T CA 1.440 63.472 62.100 -0.112 0.000 1.136 99 T CB -0.097 68.459 68.868 -0.520 0.000 0.874 99 T HN 0.187 nan 8.240 nan 0.000 0.466 100 M N 1.578 121.312 119.600 0.224 0.000 2.288 100 M HA 0.245 4.726 4.480 0.001 0.000 0.266 100 M C 2.204 178.730 176.300 0.377 0.000 1.072 100 M CA 1.299 56.840 55.300 0.403 0.000 1.132 100 M CB -0.818 31.976 32.600 0.323 0.000 1.386 100 M HN 0.159 nan 8.290 nan 0.000 0.432 101 G N -0.360 108.666 108.800 0.377 0.000 2.421 101 G HA2 -0.126 3.834 3.960 0.001 0.000 0.216 101 G HA3 -0.126 3.834 3.960 0.001 0.000 0.216 101 G C 1.569 176.665 174.900 0.326 0.000 1.171 101 G CA 0.930 46.223 45.100 0.322 0.000 0.775 101 G HN 0.649 nan 8.290 nan 0.000 0.543 102 A N 0.207 123.221 122.820 0.324 0.000 1.978 102 A HA -0.106 4.214 4.320 0.001 0.000 0.220 102 A C 2.301 180.054 177.584 0.282 0.000 1.170 102 A CA 2.321 54.533 52.037 0.293 0.000 0.636 102 A CB -0.396 18.770 19.000 0.277 0.000 0.810 102 A HN 0.448 nan 8.150 nan 0.000 0.448 103 Q N -1.379 118.604 119.800 0.306 0.000 2.119 103 Q HA -0.145 4.195 4.340 0.001 0.000 0.201 103 Q C 1.623 177.839 176.000 0.360 0.000 0.972 103 Q CA 1.812 57.804 55.803 0.315 0.000 0.847 103 Q CB -0.523 28.431 28.738 0.361 0.000 0.903 103 Q HN 0.657 nan 8.270 nan 0.000 0.433 104 Y N -0.171 120.222 120.300 0.155 0.000 2.184 104 Y HA -0.062 4.488 4.550 0.001 0.000 0.290 104 Y C 2.202 178.141 175.900 0.065 0.000 1.129 104 Y CA 1.203 59.305 58.100 0.003 0.000 1.144 104 Y CB -0.571 37.988 38.460 0.165 0.000 0.995 104 Y HN 0.136 nan 8.280 nan 0.000 0.513 105 M N -1.104 118.729 119.600 0.388 0.000 2.088 105 M HA -0.334 4.146 4.480 0.001 0.000 0.256 105 M C 2.335 178.801 176.300 0.277 0.000 1.071 105 M CA 2.215 57.715 55.300 0.332 0.000 1.097 105 M CB -0.785 31.998 32.600 0.305 0.000 1.315 105 M HN 0.372 nan 8.290 nan 0.000 0.406 106 H N -0.062 119.102 119.070 0.157 0.000 2.276 106 H HA -0.175 4.382 4.556 0.001 0.000 0.301 106 H C 1.750 177.142 175.328 0.106 0.000 1.073 106 H CA 2.001 58.116 56.048 0.113 0.000 1.311 106 H CB -0.255 29.561 29.762 0.091 0.000 1.379 106 H HN 0.301 nan 8.280 nan 0.000 0.494 107 D N -0.112 120.403 120.400 0.192 0.000 2.137 107 D HA -0.184 4.457 4.640 0.001 0.000 0.189 107 D C 2.200 178.564 176.300 0.107 0.000 0.998 107 D CA 1.666 55.730 54.000 0.106 0.000 0.839 107 D CB -0.553 40.258 40.800 0.020 0.000 0.962 107 D HN 0.586 nan 8.370 nan 0.000 0.446 108 H N -0.212 118.928 119.070 0.117 0.000 2.319 108 H HA -0.095 4.461 4.556 0.001 0.000 0.297 108 H C 2.395 177.707 175.328 -0.026 0.000 1.097 108 H CA 0.624 56.745 56.048 0.123 0.000 1.285 108 H CB 0.019 29.919 29.762 0.229 0.000 1.368 108 H HN 0.121 nan 8.280 nan 0.000 0.495 109 L N 0.216 121.457 121.223 0.031 0.000 1.994 109 L HA -0.187 4.153 4.340 0.001 0.000 0.208 109 L C 2.376 179.189 176.870 -0.096 0.000 1.071 109 L CA 1.034 55.786 54.840 -0.147 0.000 0.745 109 L CB -0.194 41.867 42.059 0.004 0.000 0.892 109 L HN 0.186 nan 8.230 nan 0.000 0.431 110 V N -0.793 119.067 119.914 -0.090 0.000 2.343 110 V HA -0.337 3.783 4.120 0.001 0.000 0.247 110 V C 2.458 178.540 176.094 -0.021 0.000 1.051 110 V CA 1.901 64.171 62.300 -0.051 0.000 1.036 110 V CB -0.879 30.917 31.823 -0.045 0.000 0.654 110 V HN 0.571 nan 8.190 nan 0.000 0.451 111 H N -0.774 118.292 119.070 -0.006 0.000 2.290 111 H HA -0.248 4.308 4.556 0.001 0.000 0.298 111 H C 2.331 177.660 175.328 0.001 0.000 1.087 111 H CA 2.517 58.585 56.048 0.034 0.000 1.291 111 H CB -0.215 29.615 29.762 0.114 0.000 1.369 111 H HN 0.399 nan 8.280 nan 0.000 0.492 112 F N 1.024 120.856 119.950 -0.198 0.000 2.043 112 F HA -0.298 4.229 4.527 0.001 0.000 0.297 112 F C 1.975 177.516 175.800 -0.432 0.000 1.121 112 F CA 1.905 59.696 58.000 -0.348 0.000 1.199 112 F CB -0.928 37.751 39.000 -0.535 0.000 0.968 112 F HN 0.129 nan 8.300 nan 0.000 0.478 113 Y N -0.801 119.134 120.300 -0.608 0.000 2.206 113 Y HA -0.076 4.474 4.550 0.001 0.000 0.292 113 Y C 2.581 178.095 175.900 -0.643 0.000 1.123 113 Y CA 2.130 59.794 58.100 -0.726 0.000 1.142 113 Y CB -0.993 37.005 38.460 -0.770 0.000 1.006 113 Y HN 0.222 nan 8.280 nan 0.000 0.518 114 H N -2.510 116.463 119.070 -0.161 0.000 2.582 114 H HA 0.090 4.647 4.556 0.001 0.000 0.269 114 H C 1.282 176.564 175.328 -0.078 0.000 0.962 114 H CA 0.349 56.286 56.048 -0.185 0.000 1.230 114 H CB 0.338 29.935 29.762 -0.274 0.000 1.445 114 H HN 0.142 nan 8.280 nan 0.000 0.528 115 L N -1.100 120.056 121.223 -0.111 0.000 2.349 115 L HA 0.067 4.407 4.340 0.001 0.000 0.200 115 L C 2.057 178.696 176.870 -0.384 0.000 1.064 115 L CA 1.532 56.254 54.840 -0.197 0.000 0.821 115 L CB -0.292 41.698 42.059 -0.114 0.000 1.027 115 L HN 0.327 nan 8.230 nan 0.000 0.476 116 H N -1.848 116.876 119.070 -0.576 0.000 2.439 116 H HA 0.130 4.686 4.556 0.001 0.000 0.299 116 H C 2.078 177.286 175.328 -0.199 0.000 1.033 116 H CA 0.616 56.397 56.048 -0.445 0.000 1.348 116 H CB 0.685 30.195 29.762 -0.420 0.000 1.449 116 H HN 0.261 nan 8.280 nan 0.000 0.544 117 A N 1.366 124.035 122.820 -0.252 0.000 1.915 117 A HA -0.223 4.097 4.320 0.001 0.000 0.220 117 A C 1.905 179.511 177.584 0.035 0.000 1.198 117 A CA 1.480 53.392 52.037 -0.210 0.000 0.647 117 A CB -0.862 17.968 19.000 -0.284 0.000 0.825 117 A HN 0.337 nan 8.150 nan 0.000 0.456 118 L N 0.110 121.378 121.223 0.074 0.000 2.740 118 L HA -0.115 4.226 4.340 0.001 0.000 0.242 118 L C 0.622 177.587 176.870 0.158 0.000 1.175 118 L CA 1.462 56.407 54.840 0.174 0.000 0.859 118 L CB -0.862 41.337 42.059 0.233 0.000 0.992 118 L HN 0.359 nan 8.230 nan 0.000 0.454 119 D N -3.239 117.082 120.400 -0.132 0.000 2.417 119 D HA -0.019 4.621 4.640 0.001 0.000 0.207 119 D C 1.497 177.115 176.300 -1.136 0.000 1.075 119 D CA 0.450 54.136 54.000 -0.524 0.000 0.851 119 D CB 0.121 40.452 40.800 -0.782 0.000 0.976 119 D HN 0.362 nan 8.370 nan 0.000 0.505 120 W N 0.283 121.371 121.300 -0.353 0.000 2.904 120 W HA 0.250 4.910 4.660 0.001 0.000 0.265 120 W C 0.304 176.804 176.519 -0.031 0.000 1.138 120 W CA -0.107 56.962 57.345 -0.460 0.000 1.455 120 W CB 0.503 29.644 29.460 -0.533 0.000 0.924 120 W HN -0.358 nan 8.180 nan 0.000 0.619 121 V N 2.784 122.844 119.914 0.243 0.000 2.435 121 V HA 0.236 4.357 4.120 0.001 0.000 0.290 121 V C -0.282 175.762 176.094 -0.084 0.000 1.030 121 V CA -0.808 61.572 62.300 0.134 0.000 0.881 121 V CB 1.281 33.114 31.823 0.017 0.000 0.983 121 V HN -0.039 nan 8.190 nan 0.000 0.445 122 N N 4.334 122.882 118.700 -0.252 0.000 2.558 122 N HA 0.154 4.895 4.740 0.001 0.000 0.233 122 N C 0.732 175.737 175.510 -0.843 0.000 1.038 122 N CA -0.065 52.459 53.050 -0.877 0.000 0.934 122 N CB 1.494 39.711 38.487 -0.451 0.000 1.175 122 N HN 0.378 nan 8.380 nan 0.000 0.512 123 V N 3.170 122.378 119.914 -1.178 0.000 2.469 123 V HA -0.255 3.865 4.120 0.001 0.000 0.251 123 V C 2.294 178.104 176.094 -0.472 0.000 1.064 123 V CA 2.243 64.142 62.300 -0.670 0.000 1.066 123 V CB -0.889 30.553 31.823 -0.636 0.000 0.667 123 V HN 0.745 nan 8.190 nan 0.000 0.461 124 A N 0.121 122.701 122.820 -0.400 0.000 2.019 124 A HA -0.245 4.075 4.320 0.001 0.000 0.219 124 A C 2.035 179.527 177.584 -0.154 0.000 1.164 124 A CA 2.064 53.994 52.037 -0.179 0.000 0.644 124 A CB -0.707 18.291 19.000 -0.004 0.000 0.805 124 A HN 0.584 nan 8.150 nan 0.000 0.449 125 N N 0.102 118.692 118.700 -0.183 0.000 2.409 125 N HA 0.039 4.779 4.740 0.001 0.000 0.179 125 N C 1.596 177.030 175.510 -0.126 0.000 1.032 125 N CA 1.138 54.109 53.050 -0.132 0.000 0.898 125 N CB -0.322 38.084 38.487 -0.135 0.000 0.971 125 N HN 0.341 nan 8.380 nan 0.000 0.441 126 A N 0.421 123.145 122.820 -0.160 0.000 2.024 126 A HA -0.096 4.225 4.320 0.001 0.000 0.220 126 A C 2.107 179.628 177.584 -0.106 0.000 1.164 126 A CA 0.803 52.758 52.037 -0.137 0.000 0.643 126 A CB -0.665 18.235 19.000 -0.168 0.000 0.806 126 A HN 0.380 nan 8.150 nan 0.000 0.451 127 L N -0.267 120.894 121.223 -0.104 0.000 2.275 127 L HA -0.113 4.227 4.340 0.001 0.000 0.215 127 L C 1.163 177.997 176.870 -0.060 0.000 1.119 127 L CA 0.882 55.675 54.840 -0.079 0.000 0.790 127 L CB -0.398 41.613 42.059 -0.079 0.000 0.919 127 L HN 0.465 nan 8.230 nan 0.000 0.443 128 N N -0.032 118.631 118.700 -0.061 0.000 2.280 128 N HA 0.105 4.845 4.740 0.001 0.000 0.192 128 N C 0.519 176.001 175.510 -0.048 0.000 1.109 128 N CA 0.154 53.175 53.050 -0.049 0.000 0.855 128 N CB 0.428 38.887 38.487 -0.046 0.000 0.974 128 N HN 0.101 nan 8.380 nan 0.000 0.482 129 A N 0.891 123.678 122.820 -0.055 0.000 2.304 129 A HA 0.239 4.560 4.320 0.001 0.000 0.271 129 A C -0.204 177.358 177.584 -0.038 0.000 1.091 129 A CA -0.367 51.640 52.037 -0.050 0.000 0.812 129 A CB 0.447 19.411 19.000 -0.060 0.000 1.056 129 A HN 0.074 nan 8.150 nan 0.000 0.489 130 D N 1.536 121.918 120.400 -0.030 0.000 2.359 130 D HA 0.324 4.964 4.640 0.001 0.000 0.230 130 D C -1.479 174.808 176.300 -0.021 0.000 1.118 130 D CA -2.061 51.925 54.000 -0.022 0.000 0.844 130 D CB 1.144 41.934 40.800 -0.017 0.000 1.059 130 D HN 0.129 nan 8.370 nan 0.000 0.493 131 P HA -0.182 nan 4.420 nan 0.000 0.218 131 P C 0.991 178.284 177.300 -0.012 0.000 1.148 131 P CA 1.058 64.146 63.100 -0.019 0.000 0.822 131 P CB 0.214 31.904 31.700 -0.017 0.000 0.784 132 A N 0.610 123.425 122.820 -0.009 0.000 1.968 132 A HA -0.136 4.184 4.320 0.001 0.000 0.217 132 A C 2.364 179.946 177.584 -0.003 0.000 1.169 132 A CA 1.735 53.769 52.037 -0.004 0.000 0.638 132 A CB -1.010 17.988 19.000 -0.003 0.000 0.812 132 A HN 0.248 nan 8.150 nan 0.000 0.446 133 K N -0.241 120.156 120.400 -0.006 0.000 2.167 133 K HA 0.138 4.459 4.320 0.001 0.000 0.203 133 K C 1.979 178.577 176.600 -0.003 0.000 1.052 133 K CA 1.093 57.378 56.287 -0.003 0.000 0.956 133 K CB -0.292 32.205 32.500 -0.004 0.000 0.735 133 K HN 0.260 nan 8.250 nan 0.000 0.451 134 A N 1.324 124.137 122.820 -0.011 0.000 1.873 134 A HA -0.000 4.320 4.320 0.001 0.000 0.215 134 A C 2.402 179.983 177.584 -0.006 0.000 1.186 134 A CA 1.565 53.592 52.037 -0.015 0.000 0.616 134 A CB -0.868 18.114 19.000 -0.031 0.000 0.823 134 A HN 0.465 nan 8.150 nan 0.000 0.442 135 A N -0.228 122.591 122.820 -0.002 0.000 1.972 135 A HA -0.151 4.169 4.320 0.001 0.000 0.219 135 A C 2.233 179.825 177.584 0.013 0.000 1.169 135 A CA 1.481 53.523 52.037 0.008 0.000 0.635 135 A CB -0.432 18.573 19.000 0.009 0.000 0.810 135 A HN 0.555 nan 8.150 nan 0.000 0.446 136 R N -1.242 119.264 120.500 0.010 0.000 2.075 136 R HA -0.069 4.271 4.340 0.001 0.000 0.232 136 R C 2.094 178.404 176.300 0.017 0.000 1.126 136 R CA 1.303 57.410 56.100 0.012 0.000 0.963 136 R CB -0.511 29.794 30.300 0.009 0.000 0.858 136 R HN 0.487 nan 8.270 nan 0.000 0.435 137 L N 0.978 122.213 121.223 0.019 0.000 2.046 137 L HA -0.054 4.287 4.340 0.001 0.000 0.208 137 L C 2.209 179.099 176.870 0.035 0.000 1.077 137 L CA 1.911 56.768 54.840 0.029 0.000 0.747 137 L CB -0.855 41.223 42.059 0.033 0.000 0.896 137 L HN 0.116 nan 8.230 nan 0.000 0.432 138 A N -0.296 122.544 122.820 0.034 0.000 1.908 138 A HA -0.235 4.085 4.320 0.001 0.000 0.218 138 A C 2.057 179.671 177.584 0.051 0.000 1.181 138 A CA 1.948 54.016 52.037 0.052 0.000 0.627 138 A CB -0.812 18.216 19.000 0.047 0.000 0.818 138 A HN 0.627 nan 8.150 nan 0.000 0.445 139 N N 0.099 118.820 118.700 0.035 0.000 2.459 139 N HA -0.080 4.660 4.740 0.001 0.000 0.181 139 N C 0.336 175.856 175.510 0.017 0.000 1.046 139 N CA 1.189 54.254 53.050 0.026 0.000 0.904 139 N CB -0.218 38.281 38.487 0.020 0.000 0.964 139 N HN 0.419 nan 8.380 nan 0.000 0.444 140 D N -0.273 120.138 120.400 0.018 0.000 2.350 140 D HA 0.148 4.789 4.640 0.001 0.000 0.213 140 D C 1.758 178.062 176.300 0.006 0.000 1.031 140 D CA 0.046 54.051 54.000 0.009 0.000 0.861 140 D CB 0.446 41.251 40.800 0.009 0.000 0.926 140 D HN 0.208 nan 8.370 nan 0.000 0.520 141 L N -0.361 120.872 121.223 0.016 0.000 2.298 141 L HA 0.133 4.473 4.340 0.001 0.000 0.209 141 L C 0.892 177.760 176.870 -0.003 0.000 1.084 141 L CA 0.386 55.233 54.840 0.011 0.000 0.816 141 L CB 0.161 42.243 42.059 0.039 0.000 0.967 141 L HN -0.028 nan 8.230 nan 0.000 0.460 142 S N -2.203 113.498 115.700 0.001 0.000 2.685 142 S HA 0.488 4.959 4.470 0.001 0.000 0.282 142 S C -2.433 172.159 174.600 -0.013 0.000 1.159 142 S CA -0.972 57.218 58.200 -0.018 0.000 0.833 142 S CB 1.414 64.594 63.200 -0.034 0.000 1.151 142 S HN -0.223 nan 8.310 nan 0.000 0.485 143 P HA 0.233 nan 4.420 nan 0.000 0.249 143 P C -0.355 176.937 177.300 -0.012 0.000 1.229 143 P CA 0.244 63.333 63.100 -0.018 0.000 0.788 143 P CB 0.012 31.696 31.700 -0.026 0.000 1.072 144 K N 1.213 121.606 120.400 -0.011 0.000 2.227 144 K HA 0.228 4.548 4.320 0.001 0.000 0.280 144 K C -0.428 176.182 176.600 0.017 0.000 1.041 144 K CA -0.686 55.600 56.287 -0.001 0.000 0.905 144 K CB 0.511 33.003 32.500 -0.014 0.000 1.068 144 K HN -0.303 nan 8.250 nan 0.000 0.470 145 K N 2.300 122.711 120.400 0.018 0.000 2.379 145 K HA 0.113 4.433 4.320 0.001 0.000 0.284 145 K C -0.860 175.763 176.600 0.037 0.000 1.044 145 K CA 0.246 56.547 56.287 0.024 0.000 0.974 145 K CB 1.207 33.717 32.500 0.017 0.000 0.962 145 K HN 0.510 nan 8.250 nan 0.000 0.474 146 T N 1.866 116.446 114.554 0.043 0.000 2.859 146 T HA 0.410 4.760 4.350 0.001 0.000 0.281 146 T C -0.233 174.487 174.700 0.034 0.000 1.005 146 T CA -0.926 61.205 62.100 0.052 0.000 1.025 146 T CB 1.355 70.263 68.868 0.068 0.000 0.977 146 T HN 0.686 nan 8.240 nan 0.000 0.458 147 T N -0.928 113.644 114.554 0.031 0.000 2.918 147 T HA 0.375 4.725 4.350 0.001 0.000 0.286 147 T C 1.375 176.084 174.700 0.016 0.000 1.026 147 T CA -0.716 61.396 62.100 0.020 0.000 1.031 147 T CB 1.296 70.174 68.868 0.018 0.000 1.046 147 T HN 0.375 nan 8.240 nan 0.000 0.479 148 T N 1.772 116.332 114.554 0.009 0.000 2.684 148 T HA -0.108 4.242 4.350 0.001 0.000 0.267 148 T C 1.633 176.335 174.700 0.003 0.000 1.036 148 T CA 1.928 64.030 62.100 0.004 0.000 1.148 148 T CB -0.428 68.440 68.868 0.001 0.000 0.863 148 T HN 0.776 nan 8.240 nan 0.000 0.436 149 E N 1.754 121.957 120.200 0.005 0.000 2.058 149 E HA -0.135 4.215 4.350 0.001 0.000 0.194 149 E C 2.560 179.164 176.600 0.007 0.000 0.997 149 E CA 1.556 57.959 56.400 0.005 0.000 0.801 149 E CB -0.636 29.067 29.700 0.006 0.000 0.746 149 E HN 0.655 nan 8.360 nan 0.000 0.450 150 S N 0.470 116.179 115.700 0.014 0.000 2.382 150 S HA -0.123 4.347 4.470 0.001 0.000 0.228 150 S C 2.020 176.628 174.600 0.015 0.000 1.027 150 S CA 0.870 59.082 58.200 0.020 0.000 0.991 150 S CB -0.474 62.745 63.200 0.032 0.000 0.823 150 S HN 0.186 nan 8.310 nan 0.000 0.469 151 L N 0.858 122.086 121.223 0.008 0.000 2.056 151 L HA -0.012 4.329 4.340 0.001 0.000 0.207 151 L C 2.872 179.735 176.870 -0.012 0.000 1.078 151 L CA 1.434 56.270 54.840 -0.005 0.000 0.749 151 L CB -0.505 41.547 42.059 -0.011 0.000 0.901 151 L HN 0.349 nan 8.230 nan 0.000 0.433 152 K N 0.078 120.472 120.400 -0.009 0.000 2.103 152 K HA -0.177 4.144 4.320 0.001 0.000 0.207 152 K C 2.165 178.758 176.600 -0.012 0.000 1.048 152 K CA 1.396 57.675 56.287 -0.013 0.000 0.930 152 K CB -0.172 32.323 32.500 -0.009 0.000 0.716 152 K HN 0.285 nan 8.250 nan 0.000 0.444 153 A N 0.832 123.648 122.820 -0.005 0.000 1.898 153 A HA -0.108 4.212 4.320 0.001 0.000 0.216 153 A C 2.298 179.879 177.584 -0.006 0.000 1.181 153 A CA 1.303 53.339 52.037 -0.003 0.000 0.620 153 A CB -0.486 18.517 19.000 0.004 0.000 0.819 153 A HN 0.077 nan 8.150 nan 0.000 0.442 154 V N -0.267 119.643 119.914 -0.007 0.000 2.515 154 V HA -0.272 3.849 4.120 0.001 0.000 0.250 154 V C 2.583 178.657 176.094 -0.034 0.000 1.058 154 V CA 2.113 64.405 62.300 -0.013 0.000 1.064 154 V CB -0.792 31.023 31.823 -0.013 0.000 0.675 154 V HN 0.685 nan 8.190 nan 0.000 0.461 155 Q N -0.379 119.399 119.800 -0.037 0.000 2.167 155 Q HA -0.114 4.226 4.340 0.001 0.000 0.202 155 Q C 2.241 178.215 176.000 -0.042 0.000 0.970 155 Q CA 1.466 57.239 55.803 -0.049 0.000 0.855 155 Q CB -0.189 28.523 28.738 -0.043 0.000 0.911 155 Q HN 0.678 nan 8.270 nan 0.000 0.438 156 A N 0.248 123.050 122.820 -0.029 0.000 2.016 156 A HA -0.110 4.211 4.320 0.001 0.000 0.217 156 A C 1.789 179.360 177.584 -0.021 0.000 1.162 156 A CA 0.902 52.926 52.037 -0.022 0.000 0.662 156 A CB -0.079 18.913 19.000 -0.014 0.000 0.812 156 A HN 0.172 nan 8.150 nan 0.000 0.450 157 K N -0.434 119.953 120.400 -0.022 0.000 2.031 157 K HA -0.035 4.286 4.320 0.001 0.000 0.205 157 K C 1.858 178.439 176.600 -0.032 0.000 1.049 157 K CA 1.356 57.634 56.287 -0.016 0.000 0.939 157 K CB -0.237 32.258 32.500 -0.008 0.000 0.717 157 K HN 0.264 nan 8.250 nan 0.000 0.438 158 V N 1.777 121.655 119.914 -0.060 0.000 2.343 158 V HA -0.262 3.858 4.120 0.001 0.000 0.247 158 V C 2.269 178.317 176.094 -0.076 0.000 1.051 158 V CA 1.667 63.908 62.300 -0.100 0.000 1.036 158 V CB -0.358 31.378 31.823 -0.144 0.000 0.654 158 V HN 0.311 nan 8.190 nan 0.000 0.451 159 K N -0.020 120.346 120.400 -0.056 0.000 2.025 159 K HA -0.144 4.177 4.320 0.001 0.000 0.207 159 K C 2.273 178.857 176.600 -0.027 0.000 1.049 159 K CA 1.425 57.688 56.287 -0.041 0.000 0.933 159 K CB -0.330 32.150 32.500 -0.033 0.000 0.714 159 K HN 0.438 nan 8.250 nan 0.000 0.438 160 A N 1.197 124.004 122.820 -0.020 0.000 1.940 160 A HA -0.176 4.144 4.320 0.001 0.000 0.219 160 A C 2.033 179.615 177.584 -0.004 0.000 1.176 160 A CA 1.370 53.402 52.037 -0.009 0.000 0.631 160 A CB -0.481 18.517 19.000 -0.004 0.000 0.814 160 A HN 0.382 nan 8.150 nan 0.000 0.446 161 L N -0.717 120.501 121.223 -0.008 0.000 2.072 161 L HA -0.030 4.311 4.340 0.001 0.000 0.205 161 L C 2.342 179.216 176.870 0.006 0.000 1.079 161 L CA 1.519 56.364 54.840 0.007 0.000 0.752 161 L CB -0.298 41.770 42.059 0.014 0.000 0.906 161 L HN 0.109 nan 8.230 nan 0.000 0.436 162 V N -0.003 119.901 119.914 -0.016 0.000 2.343 162 V HA -0.280 3.840 4.120 0.001 0.000 0.247 162 V C 2.545 178.637 176.094 -0.003 0.000 1.051 162 V CA 2.064 64.356 62.300 -0.014 0.000 1.036 162 V CB -0.557 31.245 31.823 -0.036 0.000 0.654 162 V HN 0.581 nan 8.190 nan 0.000 0.451 163 E N 0.176 120.372 120.200 -0.006 0.000 2.409 163 E HA -0.159 4.192 4.350 0.001 0.000 0.198 163 E C 2.132 178.734 176.600 0.003 0.000 1.024 163 E CA 1.184 57.583 56.400 -0.003 0.000 0.861 163 E CB 0.046 29.743 29.700 -0.005 0.000 0.788 163 E HN 0.770 nan 8.360 nan 0.000 0.521 164 S N -1.655 114.050 115.700 0.008 0.000 2.486 164 S HA 0.159 4.630 4.470 0.001 0.000 0.220 164 S C 1.677 176.286 174.600 0.015 0.000 1.011 164 S CA 0.583 58.791 58.200 0.012 0.000 0.921 164 S CB 0.522 63.732 63.200 0.017 0.000 0.785 164 S HN 0.378 nan 8.310 nan 0.000 0.517 165 G N 1.050 109.860 108.800 0.017 0.000 2.205 165 G HA2 -0.264 3.696 3.960 0.001 0.000 0.261 165 G HA3 -0.264 3.696 3.960 0.001 0.000 0.261 165 G C -0.062 174.855 174.900 0.028 0.000 0.980 165 G CA 0.270 45.382 45.100 0.020 0.000 0.632 165 G HN 0.631 nan 8.290 nan 0.000 0.533 166 Q N 0.360 120.180 119.800 0.033 0.000 2.509 166 Q HA 0.608 4.948 4.340 0.001 0.000 0.230 166 Q C 1.453 177.493 176.000 0.067 0.000 1.089 166 Q CA -0.554 55.274 55.803 0.041 0.000 0.901 166 Q CB 0.823 29.581 28.738 0.033 0.000 1.208 166 Q HN 0.418 nan 8.270 nan 0.000 0.529 167 L N 1.136 122.409 121.223 0.083 0.000 2.376 167 L HA -0.038 4.303 4.340 0.001 0.000 0.219 167 L C 1.375 178.356 176.870 0.186 0.000 1.133 167 L CA 0.792 55.726 54.840 0.156 0.000 0.816 167 L CB -0.722 41.425 42.059 0.148 0.000 0.933 167 L HN 0.981 nan 8.230 nan 0.000 0.449 168 G N 2.297 111.146 108.800 0.082 0.000 2.634 168 G HA2 -0.450 3.511 3.960 0.001 0.000 0.318 168 G HA3 -0.450 3.511 3.960 0.001 0.000 0.318 168 G C 0.722 175.585 174.900 -0.062 0.000 1.207 168 G CA 0.665 45.775 45.100 0.018 0.000 0.987 168 G HN 0.439 nan 8.290 nan 0.000 0.547 169 I N -1.513 118.938 120.570 -0.198 0.000 3.334 169 I HA 0.375 4.545 4.170 0.001 0.000 0.282 169 I C 1.929 177.692 176.117 -0.589 0.000 1.313 169 I CA 1.561 62.630 61.300 -0.385 0.000 1.396 169 I CB -0.357 37.404 38.000 -0.400 0.000 1.054 169 I HN 0.208 nan 8.210 nan 0.000 0.495 170 F N 0.845 120.783 119.950 -0.020 0.000 2.727 170 F HA 0.243 4.770 4.527 0.001 0.000 0.302 170 F C 1.221 176.957 175.800 -0.108 0.000 1.097 170 F CA -0.251 57.716 58.000 -0.054 0.000 1.330 170 F CB -0.769 38.239 39.000 0.014 0.000 1.084 170 F HN -0.147 nan 8.300 nan 0.000 0.578 171 T N 2.993 117.564 114.554 0.028 0.000 2.822 171 T HA -0.088 4.262 4.350 0.001 0.000 0.288 171 T C 0.523 175.191 174.700 -0.054 0.000 0.991 171 T CA 0.345 62.443 62.100 -0.003 0.000 1.176 171 T CB -0.237 68.627 68.868 -0.008 0.000 0.951 171 T HN 0.326 nan 8.240 nan 0.000 0.526 172 N N -0.810 117.860 118.700 -0.050 0.000 2.782 172 N HA -0.170 4.570 4.740 0.001 0.000 0.251 172 N C 0.269 175.693 175.510 -0.143 0.000 1.101 172 N CA 0.865 53.881 53.050 -0.057 0.000 0.764 172 N CB -1.787 36.690 38.487 -0.017 0.000 1.122 172 N HN 0.960 nan 8.380 nan 0.000 0.561 173 A N -0.254 122.404 122.820 -0.270 0.000 2.555 173 A HA 0.151 4.471 4.320 0.001 0.000 0.233 173 A C 1.150 178.470 177.584 -0.440 0.000 1.060 173 A CA 0.194 51.896 52.037 -0.558 0.000 0.759 173 A CB 0.093 18.416 19.000 -1.128 0.000 0.995 173 A HN 0.220 nan 8.150 nan 0.000 0.506 174 Y N 1.253 121.317 120.300 -0.395 0.000 2.403 174 Y HA -0.148 4.403 4.550 0.001 0.000 0.291 174 Y C 1.667 177.464 175.900 -0.170 0.000 1.143 174 Y CA 1.650 59.666 58.100 -0.141 0.000 1.257 174 Y CB -0.865 37.620 38.460 0.041 0.000 0.984 174 Y HN 0.786 nan 8.280 nan 0.000 0.550 175 F N -1.847 118.035 119.950 -0.113 0.000 2.765 175 F HA 0.267 4.794 4.527 0.000 0.000 0.302 175 F C 0.311 176.020 175.800 -0.151 0.000 1.111 175 F CA -0.931 56.821 58.000 -0.413 0.000 1.359 175 F CB -1.244 37.208 39.000 -0.913 0.000 1.097 175 F HN -0.287 nan 8.300 nan 0.000 0.577 176 L N 2.366 123.512 121.223 -0.127 0.000 2.534 176 L HA 0.293 4.633 4.340 0.001 0.000 0.271 176 L C 1.347 178.239 176.870 0.036 0.000 1.178 176 L CA 0.647 55.478 54.840 -0.014 0.000 0.907 176 L CB -0.088 41.926 42.059 -0.074 0.000 1.164 176 L HN 0.626 nan 8.230 nan 0.000 0.482 177 G N 2.538 111.371 108.800 0.054 0.000 2.221 177 G HA2 -0.017 3.943 3.960 0.001 0.000 0.265 177 G HA3 -0.017 3.943 3.960 0.001 0.000 0.265 177 G C 0.566 175.498 174.900 0.052 0.000 1.041 177 G CA 0.281 45.406 45.100 0.041 0.000 0.807 177 G HN 1.415 nan 8.290 nan 0.000 0.502 178 G N -1.188 107.657 108.800 0.075 0.000 2.731 178 G HA2 0.323 4.284 3.960 0.001 0.000 0.686 178 G HA3 0.323 4.284 3.960 0.001 0.000 0.686 178 G C -0.671 174.320 174.900 0.152 0.000 1.395 178 G CA 0.442 45.600 45.100 0.097 0.000 0.870 178 G HN 2.240 nan 8.290 nan 0.000 0.591 179 H N 3.292 122.429 119.070 0.112 0.000 3.087 179 H HA 0.417 4.974 4.556 0.001 0.000 0.348 179 H C -1.890 173.586 175.328 0.246 0.000 1.092 179 H CA -0.976 55.186 56.048 0.191 0.000 1.285 179 H CB 2.256 32.192 29.762 0.290 0.000 1.875 179 H HN 0.269 nan 8.280 nan 0.000 0.512 180 P HA -0.053 nan 4.420 nan 0.000 0.221 180 P C 0.877 178.430 177.300 0.422 0.000 1.145 180 P CA 1.346 64.609 63.100 0.271 0.000 0.795 180 P CB 0.110 31.874 31.700 0.107 0.000 0.775 181 A N -2.280 120.954 122.820 0.691 0.000 2.238 181 A HA 0.043 4.364 4.320 0.001 0.000 0.210 181 A C 0.261 178.005 177.584 0.268 0.000 1.179 181 A CA 0.029 52.298 52.037 0.387 0.000 0.827 181 A CB -0.751 18.387 19.000 0.230 0.000 0.856 181 A HN 0.080 nan 8.150 nan 0.000 0.488 182 Y N 0.145 120.617 120.300 0.286 0.000 2.518 182 Y HA 0.358 4.909 4.550 0.001 0.000 0.344 182 Y C 1.008 177.018 175.900 0.183 0.000 0.982 182 Y CA -0.407 57.843 58.100 0.250 0.000 1.234 182 Y CB 1.337 39.900 38.460 0.172 0.000 1.114 182 Y HN 0.083 nan 8.280 nan 0.000 0.515 183 V N 1.546 121.594 119.914 0.224 0.000 3.319 183 V HA 0.339 4.460 4.120 0.001 0.000 0.317 183 V C 0.164 176.166 176.094 -0.153 0.000 1.411 183 V CA -0.235 62.072 62.300 0.012 0.000 1.112 183 V CB -0.744 31.049 31.823 -0.050 0.000 1.031 183 V HN 0.480 nan 8.190 nan 0.000 0.448 184 L N 1.440 122.559 121.223 -0.174 0.000 2.436 184 L HA 0.440 4.780 4.340 0.001 0.000 0.265 184 L C -1.943 174.719 176.870 -0.347 0.000 1.168 184 L CA -1.625 52.934 54.840 -0.468 0.000 0.815 184 L CB 0.121 41.992 42.059 -0.313 0.000 1.109 184 L HN 0.098 nan 8.230 nan 0.000 0.462 185 P HA 0.007 nan 4.420 nan 0.000 0.269 185 P C 0.034 177.227 177.300 -0.179 0.000 1.209 185 P CA -0.072 62.883 63.100 -0.242 0.000 0.776 185 P CB 0.784 32.348 31.700 -0.226 0.000 0.876 186 A N 2.504 125.254 122.820 -0.116 0.000 2.076 186 A HA -0.211 4.109 4.320 0.001 0.000 0.220 186 A C 1.783 179.310 177.584 -0.096 0.000 1.160 186 A CA 1.659 53.636 52.037 -0.101 0.000 0.653 186 A CB -0.841 18.113 19.000 -0.077 0.000 0.801 186 A HN 0.536 nan 8.150 nan 0.000 0.455 187 E N -0.748 119.400 120.200 -0.086 0.000 2.112 187 E HA -0.026 4.325 4.350 0.001 0.000 0.190 187 E C 1.927 178.487 176.600 -0.068 0.000 0.979 187 E CA 1.003 57.364 56.400 -0.065 0.000 0.814 187 E CB -0.203 29.473 29.700 -0.039 0.000 0.762 187 E HN 0.350 nan 8.360 nan 0.000 0.460 188 V N 1.510 121.368 119.914 -0.092 0.000 2.488 188 V HA -0.177 3.943 4.120 0.001 0.000 0.246 188 V C 1.376 177.425 176.094 -0.074 0.000 1.046 188 V CA 1.590 63.848 62.300 -0.070 0.000 1.053 188 V CB -0.363 31.386 31.823 -0.124 0.000 0.679 188 V HN 0.236 nan 8.190 nan 0.000 0.458 189 D N 0.168 120.505 120.400 -0.105 0.000 2.218 189 D HA -0.152 4.488 4.640 0.001 0.000 0.204 189 D C 1.946 178.181 176.300 -0.109 0.000 0.976 189 D CA 1.277 55.213 54.000 -0.107 0.000 0.853 189 D CB 0.157 40.872 40.800 -0.143 0.000 0.939 189 D HN 0.444 nan 8.370 nan 0.000 0.481 190 L N -0.104 121.058 121.223 -0.102 0.000 2.249 190 L HA 0.108 4.448 4.340 0.001 0.000 0.207 190 L C 2.025 178.827 176.870 -0.114 0.000 1.090 190 L CA 0.704 55.483 54.840 -0.101 0.000 0.802 190 L CB -0.003 42.004 42.059 -0.087 0.000 0.947 190 L HN -0.147 nan 8.230 nan 0.000 0.453 191 I N 0.216 120.707 120.570 -0.131 0.000 2.202 191 I HA -0.250 3.921 4.170 0.001 0.000 0.242 191 I C 2.623 178.539 176.117 -0.335 0.000 1.091 191 I CA 1.215 62.361 61.300 -0.256 0.000 1.368 191 I CB -0.506 37.394 38.000 -0.166 0.000 1.058 191 I HN 0.377 nan 8.210 nan 0.000 0.410 192 A N 0.040 122.796 122.820 -0.106 0.000 1.978 192 A HA -0.202 4.118 4.320 0.001 0.000 0.220 192 A C 2.322 179.961 177.584 0.093 0.000 1.170 192 A CA 2.397 54.474 52.037 0.066 0.000 0.636 192 A CB -0.956 18.102 19.000 0.097 0.000 0.810 192 A HN 0.405 nan 8.150 nan 0.000 0.448 193 T N -0.188 114.357 114.554 -0.014 0.000 2.896 193 T HA 0.140 4.491 4.350 0.001 0.000 0.263 193 T C 2.184 176.914 174.700 0.049 0.000 1.050 193 T CA 1.120 63.207 62.100 -0.021 0.000 1.140 193 T CB -0.264 68.530 68.868 -0.123 0.000 0.877 193 T HN 0.566 nan 8.240 nan 0.000 0.457 194 A N 0.945 123.763 122.820 -0.004 0.000 1.969 194 A HA -0.103 4.218 4.320 0.001 0.000 0.218 194 A C 1.877 179.576 177.584 0.193 0.000 1.169 194 A CA 1.271 53.339 52.037 0.052 0.000 0.635 194 A CB -0.735 18.263 19.000 -0.003 0.000 0.810 194 A HN 0.674 nan 8.150 nan 0.000 0.445 195 H N -3.505 115.631 119.070 0.109 0.000 2.436 195 H HA -0.084 4.472 4.556 0.001 0.000 0.294 195 H C 1.979 177.224 175.328 -0.139 0.000 1.048 195 H CA 1.256 57.328 56.048 0.039 0.000 1.353 195 H CB -0.086 29.744 29.762 0.114 0.000 1.414 195 H HN 0.646 nan 8.280 nan 0.000 0.536 196 Y N 1.826 122.129 120.300 0.004 0.000 2.181 196 Y HA -0.219 4.331 4.550 0.001 0.000 0.288 196 Y C 1.993 177.952 175.900 0.097 0.000 1.146 196 Y CA 1.218 59.339 58.100 0.036 0.000 1.164 196 Y CB -0.442 38.125 38.460 0.178 0.000 0.982 196 Y HN 0.048 nan 8.280 nan 0.000 0.515 197 L N -0.105 121.342 121.223 0.373 0.000 2.093 197 L HA -0.151 4.189 4.340 0.001 0.000 0.208 197 L C 2.565 179.476 176.870 0.069 0.000 1.085 197 L CA 1.705 56.684 54.840 0.231 0.000 0.755 197 L CB -0.597 41.570 42.059 0.179 0.000 0.904 197 L HN 0.218 nan 8.230 nan 0.000 0.435 198 E N 0.416 120.647 120.200 0.052 0.000 2.077 198 E HA -0.228 4.123 4.350 0.001 0.000 0.193 198 E C 2.261 178.710 176.600 -0.252 0.000 0.989 198 E CA 1.084 57.461 56.400 -0.038 0.000 0.800 198 E CB -0.018 29.737 29.700 0.091 0.000 0.746 198 E HN 0.461 nan 8.360 nan 0.000 0.452 199 A N 0.823 123.470 122.820 -0.288 0.000 2.019 199 A HA -0.143 4.177 4.320 0.001 0.000 0.219 199 A C 2.097 179.588 177.584 -0.155 0.000 1.164 199 A CA 0.807 52.610 52.037 -0.389 0.000 0.644 199 A CB -0.488 18.244 19.000 -0.446 0.000 0.805 199 A HN 0.270 nan 8.150 nan 0.000 0.449 200 L N -1.174 119.988 121.223 -0.101 0.000 2.141 200 L HA -0.141 4.200 4.340 0.001 0.000 0.209 200 L C 2.712 179.488 176.870 -0.156 0.000 1.094 200 L CA 0.873 55.595 54.840 -0.196 0.000 0.763 200 L CB -0.300 41.623 42.059 -0.228 0.000 0.908 200 L HN 0.315 nan 8.230 nan 0.000 0.437 201 R N -0.833 119.571 120.500 -0.160 0.000 2.112 201 R HA 0.017 4.357 4.340 0.001 0.000 0.216 201 R C 2.164 178.350 176.300 -0.189 0.000 1.080 201 R CA 0.780 56.792 56.100 -0.147 0.000 0.996 201 R CB -0.634 29.591 30.300 -0.125 0.000 0.902 201 R HN 0.211 nan 8.270 nan 0.000 0.449 202 V N 2.462 122.187 119.914 -0.315 0.000 2.307 202 V HA -0.281 3.840 4.120 0.001 0.000 0.245 202 V C 2.534 178.514 176.094 -0.190 0.000 1.045 202 V CA 2.134 64.220 62.300 -0.358 0.000 1.024 202 V CB -0.729 30.635 31.823 -0.766 0.000 0.651 202 V HN 0.320 nan 8.190 nan 0.000 0.449 203 Q N 0.656 120.361 119.800 -0.159 0.000 2.248 203 Q HA -0.182 4.158 4.340 0.001 0.000 0.208 203 Q C 1.821 177.877 176.000 0.095 0.000 0.984 203 Q CA 2.419 58.196 55.803 -0.045 0.000 0.875 203 Q CB -1.286 27.369 28.738 -0.139 0.000 0.910 203 Q HN 0.393 nan 8.270 nan 0.000 0.433 204 V N 0.756 120.674 119.914 0.006 0.000 2.427 204 V HA -0.221 3.899 4.120 0.001 0.000 0.248 204 V C 2.143 178.228 176.094 -0.016 0.000 1.051 204 V CA 2.183 64.483 62.300 -0.000 0.000 1.048 204 V CB -0.467 31.333 31.823 -0.038 0.000 0.666 204 V HN 0.426 nan 8.190 nan 0.000 0.456 205 K N 0.209 120.586 120.400 -0.039 0.000 2.103 205 K HA -0.018 4.303 4.320 0.001 0.000 0.204 205 K C 2.263 178.837 176.600 -0.044 0.000 1.052 205 K CA 1.269 57.522 56.287 -0.057 0.000 0.945 205 K CB -0.317 32.134 32.500 -0.083 0.000 0.722 205 K HN 0.460 nan 8.250 nan 0.000 0.443 206 A N 1.473 124.307 122.820 0.023 0.000 1.930 206 A HA -0.046 4.275 4.320 0.001 0.000 0.217 206 A C 2.323 179.927 177.584 0.033 0.000 1.175 206 A CA 1.665 53.751 52.037 0.082 0.000 0.627 206 A CB -0.475 18.669 19.000 0.240 0.000 0.815 206 A HN 0.306 nan 8.150 nan 0.000 0.443 207 A N -0.219 122.599 122.820 -0.003 0.000 1.929 207 A HA -0.068 4.252 4.320 0.001 0.000 0.216 207 A C 2.231 179.749 177.584 -0.111 0.000 1.176 207 A CA 1.454 53.389 52.037 -0.171 0.000 0.628 207 A CB -0.433 18.448 19.000 -0.197 0.000 0.816 207 A HN 0.547 nan 8.150 nan 0.000 0.444 208 R N -0.209 120.241 120.500 -0.083 0.000 2.092 208 R HA -0.032 4.309 4.340 0.001 0.000 0.231 208 R C 2.174 178.409 176.300 -0.108 0.000 1.119 208 R CA 1.369 57.416 56.100 -0.088 0.000 0.970 208 R CB -0.372 29.881 30.300 -0.077 0.000 0.864 208 R HN 0.390 nan 8.270 nan 0.000 0.440 209 A N 1.332 124.070 122.820 -0.136 0.000 1.898 209 A HA -0.191 4.130 4.320 0.001 0.000 0.216 209 A C 2.210 179.783 177.584 -0.017 0.000 1.181 209 A CA 1.502 53.406 52.037 -0.222 0.000 0.620 209 A CB -0.540 18.188 19.000 -0.453 0.000 0.819 209 A HN 0.544 nan 8.150 nan 0.000 0.442 210 M N -0.261 119.332 119.600 -0.011 0.000 2.213 210 M HA -0.064 4.417 4.480 0.001 0.000 0.263 210 M C 2.011 178.258 176.300 -0.088 0.000 1.062 210 M CA 1.643 56.955 55.300 0.019 0.000 1.105 210 M CB -0.161 32.417 32.600 -0.037 0.000 1.385 210 M HN 0.360 nan 8.290 nan 0.000 0.417 211 A N 0.172 122.925 122.820 -0.111 0.000 2.119 211 A HA -0.008 4.313 4.320 0.001 0.000 0.217 211 A C 1.911 179.392 177.584 -0.172 0.000 1.153 211 A CA 0.966 52.925 52.037 -0.130 0.000 0.692 211 A CB -0.870 18.072 19.000 -0.096 0.000 0.799 211 A HN 0.626 nan 8.150 nan 0.000 0.458 212 I N -1.790 118.651 120.570 -0.215 0.000 2.202 212 I HA -0.196 3.975 4.170 0.001 0.000 0.242 212 I C 2.006 177.808 176.117 -0.526 0.000 1.091 212 I CA 1.286 62.374 61.300 -0.354 0.000 1.368 212 I CB -0.191 37.592 38.000 -0.362 0.000 1.058 212 I HN 0.332 nan 8.210 nan 0.000 0.410 213 F N 0.062 119.890 119.950 -0.204 0.000 2.270 213 F HA 0.109 4.637 4.527 0.001 0.000 0.295 213 F C 2.435 177.740 175.800 -0.824 0.000 1.087 213 F CA 0.878 58.610 58.000 -0.446 0.000 1.365 213 F CB -1.266 37.418 39.000 -0.526 0.000 1.056 213 F HN -0.049 nan 8.300 nan 0.000 0.506 214 G N -1.156 107.272 108.800 -0.619 0.000 2.920 214 G HA2 0.276 4.237 3.960 0.001 0.000 0.208 214 G HA3 0.276 4.237 3.960 0.001 0.000 0.208 214 G C 1.383 176.161 174.900 -0.204 0.000 1.159 214 G CA 0.810 45.500 45.100 -0.685 0.000 0.784 214 G HN 0.507 nan 8.290 nan 0.000 0.535 215 A N -0.718 122.030 122.820 -0.120 0.000 1.475 215 A HA -0.183 4.137 4.320 0.001 0.000 0.222 215 A C 0.857 178.429 177.584 -0.019 0.000 0.487 215 A CA 1.899 53.928 52.037 -0.012 0.000 1.107 215 A CB -1.550 17.497 19.000 0.079 0.000 1.460 215 A HN 1.271 nan 8.150 nan 0.000 0.719 216 K N -0.629 119.766 120.400 -0.009 0.000 2.579 216 K HA 0.658 4.979 4.320 0.001 0.000 0.284 216 K C -1.025 175.568 176.600 -0.011 0.000 0.990 216 K CA -0.143 56.138 56.287 -0.010 0.000 0.880 216 K CB 1.289 33.801 32.500 0.020 0.000 1.488 216 K HN 0.788 nan 8.250 nan 0.000 0.425 217 N N 1.195 119.873 118.700 -0.037 0.000 2.500 217 N HA 0.411 5.152 4.740 0.001 0.000 0.291 217 N C -2.726 172.738 175.510 -0.076 0.000 1.092 217 N CA -1.066 51.946 53.050 -0.064 0.000 0.890 217 N CB 1.625 40.041 38.487 -0.118 0.000 1.466 217 N HN 0.507 nan 8.380 nan 0.000 0.507 218 P HA 0.329 nan 4.420 nan 0.000 0.274 218 P C -1.279 176.002 177.300 -0.032 0.000 1.246 218 P CA 0.088 63.110 63.100 -0.131 0.000 0.795 218 P CB 0.379 31.901 31.700 -0.296 0.000 1.006 219 H N -1.692 117.427 119.070 0.082 0.000 3.101 219 H HA -0.101 4.456 4.556 0.001 0.000 0.350 219 H C 0.093 175.503 175.328 0.137 0.000 1.157 219 H CA 0.301 56.418 56.048 0.115 0.000 1.141 219 H CB -2.239 27.575 29.762 0.086 0.000 1.595 219 H HN 0.628 nan 8.280 nan 0.000 0.406 220 T N -1.065 113.674 114.554 0.308 0.000 2.856 220 T HA 0.228 4.579 4.350 0.001 0.000 0.329 220 T C 0.714 175.617 174.700 0.340 0.000 1.094 220 T CA -0.048 62.229 62.100 0.296 0.000 1.112 220 T CB 1.764 70.841 68.868 0.350 0.000 1.009 220 T HN 0.610 nan 8.240 nan 0.000 0.550 221 Q N 1.237 121.255 119.800 0.364 0.000 3.966 221 Q HA 0.374 4.714 4.340 0.001 0.000 0.198 221 Q C -0.987 175.229 176.000 0.360 0.000 0.872 221 Q CA -0.532 55.459 55.803 0.313 0.000 0.767 221 Q CB 0.208 29.072 28.738 0.210 0.000 1.516 221 Q HN 0.847 nan 8.270 nan 0.000 0.434 222 F N -1.948 118.063 119.950 0.102 0.000 3.021 222 F HA 0.326 4.854 4.527 0.001 0.000 0.376 222 F C -0.131 175.709 175.800 0.067 0.000 1.075 222 F CA 0.057 58.099 58.000 0.069 0.000 1.073 222 F CB 0.078 39.108 39.000 0.049 0.000 1.243 222 F HN 0.005 nan 8.300 nan 0.000 0.540 223 T N 1.422 115.595 114.554 -0.635 0.000 2.902 223 T HA 0.789 5.139 4.350 0.001 0.000 0.283 223 T C -0.352 174.230 174.700 -0.197 0.000 1.009 223 T CA -0.052 61.690 62.100 -0.596 0.000 1.051 223 T CB 2.073 70.604 68.868 -0.561 0.000 0.999 223 T HN 0.795 nan 8.240 nan 0.000 0.474 224 V N -1.035 118.806 119.914 -0.122 0.000 3.188 224 V HA 0.712 4.833 4.120 0.001 0.000 0.305 224 V C -0.320 175.748 176.094 -0.042 0.000 1.232 224 V CA -1.386 60.923 62.300 0.015 0.000 1.043 224 V CB 1.455 33.389 31.823 0.184 0.000 1.068 224 V HN 0.811 nan 8.190 nan 0.000 0.439 225 V N 2.456 122.331 119.914 -0.065 0.000 2.479 225 V HA 0.561 4.682 4.120 0.001 0.000 0.281 225 V C 1.531 177.435 176.094 -0.316 0.000 1.031 225 V CA 1.728 63.823 62.300 -0.341 0.000 1.038 225 V CB -0.145 31.302 31.823 -0.625 0.000 0.981 225 V HN 1.882 nan 8.190 nan 0.000 0.478 226 G N 3.093 111.670 108.800 -0.371 0.000 2.253 226 G HA2 0.186 4.146 3.960 0.001 0.000 0.209 226 G HA3 0.186 4.146 3.960 0.001 0.000 0.209 226 G C 0.552 175.272 174.900 -0.300 0.000 0.997 226 G CA -0.071 44.789 45.100 -0.400 0.000 0.640 226 G HN 1.832 nan 8.290 nan 0.000 0.496 227 G N -1.641 107.091 108.800 -0.114 0.000 2.480 227 G HA2 0.432 4.393 3.960 0.001 0.000 0.109 227 G HA3 0.432 4.393 3.960 0.001 0.000 0.109 227 G C -0.652 174.218 174.900 -0.050 0.000 1.172 227 G CA 0.565 45.638 45.100 -0.044 0.000 1.091 227 G HN 1.361 nan 8.290 nan 0.000 0.464 228 C N -0.485 118.800 119.300 -0.026 0.000 2.971 228 C HA 0.792 5.252 4.460 0.001 0.000 0.310 228 C C 1.539 176.469 174.990 -0.100 0.000 1.285 228 C CA 0.437 59.384 59.018 -0.118 0.000 1.593 228 C CB 1.369 29.055 27.740 -0.091 0.000 2.076 228 C HN 1.259 nan 8.230 nan 0.000 0.472 229 T N -2.694 111.802 114.554 -0.098 0.000 2.971 229 T HA 0.066 4.416 4.350 0.001 0.000 0.252 229 T C 0.410 175.014 174.700 -0.161 0.000 1.022 229 T CA 0.300 62.328 62.100 -0.120 0.000 0.980 229 T CB -0.325 68.556 68.868 0.023 0.000 1.044 229 T HN 0.526 nan 8.240 nan 0.000 0.501 230 N N 1.324 119.997 118.700 -0.045 0.000 2.671 230 N HA 0.145 4.885 4.740 0.001 0.000 0.274 230 N C -0.221 175.257 175.510 -0.052 0.000 1.188 230 N CA -0.378 52.690 53.050 0.030 0.000 1.065 230 N CB -0.397 38.200 38.487 0.183 0.000 1.415 230 N HN 0.415 nan 8.380 nan 0.000 0.511 231 Y N 0.141 120.497 120.300 0.093 0.000 2.395 231 Y HA -0.047 4.504 4.550 0.001 0.000 0.293 231 Y C 1.976 177.914 175.900 0.062 0.000 1.123 231 Y CA 0.439 58.582 58.100 0.071 0.000 1.227 231 Y CB 0.004 38.494 38.460 0.049 0.000 1.012 231 Y HN 0.415 nan 8.280 nan 0.000 0.552 232 D N -0.108 120.404 120.400 0.186 0.000 2.144 232 D HA -0.185 4.456 4.640 0.001 0.000 0.199 232 D C 2.149 178.497 176.300 0.080 0.000 0.984 232 D CA 1.676 55.744 54.000 0.113 0.000 0.834 232 D CB -0.113 40.735 40.800 0.080 0.000 0.955 232 D HN 0.237 nan 8.370 nan 0.000 0.465 233 S N -0.874 114.874 115.700 0.080 0.000 2.561 233 S HA -0.041 4.429 4.470 0.001 0.000 0.225 233 S C 1.606 176.278 174.600 0.120 0.000 0.977 233 S CA -0.020 58.215 58.200 0.059 0.000 0.926 233 S CB -0.195 63.029 63.200 0.040 0.000 0.769 233 S HN 0.183 nan 8.310 nan 0.000 0.533 234 L N 1.628 122.926 121.223 0.125 0.000 2.610 234 L HA 0.305 4.645 4.340 0.001 0.000 0.232 234 L C 0.921 177.844 176.870 0.088 0.000 1.149 234 L CA 0.480 55.389 54.840 0.115 0.000 0.872 234 L CB -0.868 41.268 42.059 0.129 0.000 0.992 234 L HN 0.296 nan 8.230 nan 0.000 0.447 235 R N -0.090 120.454 120.500 0.073 0.000 2.441 235 R HA 0.157 4.498 4.340 0.001 0.000 0.284 235 R C -1.345 174.983 176.300 0.047 0.000 1.070 235 R CA -1.580 54.552 56.100 0.054 0.000 1.047 235 R CB -0.117 30.209 30.300 0.042 0.000 1.016 235 R HN -0.131 nan 8.270 nan 0.000 0.477 236 P HA -0.206 nan 4.420 nan 0.000 0.216 236 P C 0.339 177.662 177.300 0.038 0.000 1.153 236 P CA 1.331 64.455 63.100 0.041 0.000 0.858 236 P CB 0.309 32.029 31.700 0.034 0.000 0.789 237 E N -0.387 119.831 120.200 0.030 0.000 2.038 237 E HA -0.170 4.180 4.350 0.001 0.000 0.195 237 E C 2.019 178.632 176.600 0.020 0.000 1.000 237 E CA 1.177 57.591 56.400 0.023 0.000 0.803 237 E CB -0.978 28.731 29.700 0.015 0.000 0.750 237 E HN 0.187 nan 8.360 nan 0.000 0.448 238 R N 0.203 120.709 120.500 0.011 0.000 2.193 238 R HA 0.017 4.358 4.340 0.001 0.000 0.229 238 R C 2.322 178.618 176.300 -0.006 0.000 1.110 238 R CA 0.749 56.839 56.100 -0.018 0.000 0.988 238 R CB -0.452 29.821 30.300 -0.044 0.000 0.871 238 R HN 0.322 nan 8.270 nan 0.000 0.458 239 I N 0.270 120.865 120.570 0.042 0.000 2.584 239 I HA -0.097 4.074 4.170 0.001 0.000 0.255 239 I C 2.358 178.560 176.117 0.143 0.000 1.145 239 I CA 0.614 61.968 61.300 0.091 0.000 1.462 239 I CB -0.217 37.836 38.000 0.087 0.000 1.102 239 I HN 0.043 nan 8.210 nan 0.000 0.433 240 A N 0.421 123.300 122.820 0.098 0.000 1.877 240 A HA -0.238 4.082 4.320 0.001 0.000 0.216 240 A C 2.227 179.869 177.584 0.097 0.000 1.186 240 A CA 1.633 53.726 52.037 0.092 0.000 0.620 240 A CB -0.568 18.466 19.000 0.057 0.000 0.822 240 A HN 0.374 nan 8.150 nan 0.000 0.443 241 E N -1.357 118.886 120.200 0.071 0.000 2.038 241 E HA -0.221 4.130 4.350 0.001 0.000 0.195 241 E C 1.793 178.427 176.600 0.056 0.000 1.000 241 E CA 1.564 57.989 56.400 0.041 0.000 0.803 241 E CB -0.269 29.435 29.700 0.007 0.000 0.750 241 E HN 0.643 nan 8.360 nan 0.000 0.448 242 F N 1.518 121.427 119.950 -0.068 0.000 2.102 242 F HA -0.179 4.348 4.527 0.001 0.000 0.298 242 F C 2.466 178.308 175.800 0.070 0.000 1.105 242 F CA 1.770 59.732 58.000 -0.063 0.000 1.239 242 F CB -0.203 38.690 39.000 -0.178 0.000 0.991 242 F HN -0.168 nan 8.300 nan 0.000 0.474 243 R N 0.688 121.427 120.500 0.398 0.000 2.083 243 R HA -0.194 4.146 4.340 0.001 0.000 0.237 243 R C 2.474 178.887 176.300 0.188 0.000 1.137 243 R CA 1.784 58.097 56.100 0.355 0.000 0.951 243 R CB -0.380 30.091 30.300 0.286 0.000 0.851 243 R HN 0.257 nan 8.270 nan 0.000 0.434 244 K N 0.400 120.853 120.400 0.088 0.000 2.009 244 K HA -0.161 4.159 4.320 0.001 0.000 0.210 244 K C 2.213 178.794 176.600 -0.033 0.000 1.049 244 K CA 1.641 57.941 56.287 0.022 0.000 0.929 244 K CB -0.194 32.310 32.500 0.007 0.000 0.714 244 K HN 0.215 nan 8.250 nan 0.000 0.440 245 L N -0.123 121.054 121.223 -0.077 0.000 2.017 245 L HA -0.228 4.112 4.340 0.001 0.000 0.208 245 L C 2.541 179.331 176.870 -0.134 0.000 1.073 245 L CA 1.339 56.104 54.840 -0.125 0.000 0.745 245 L CB -0.703 41.246 42.059 -0.184 0.000 0.894 245 L HN 0.240 nan 8.230 nan 0.000 0.432 246 Y N 1.308 121.423 120.300 -0.307 0.000 2.081 246 Y HA -0.321 4.229 4.550 0.001 0.000 0.280 246 Y C 2.484 178.331 175.900 -0.089 0.000 1.163 246 Y CA 1.630 59.579 58.100 -0.251 0.000 1.135 246 Y CB -0.310 37.988 38.460 -0.269 0.000 0.970 246 Y HN 0.015 nan 8.280 nan 0.000 0.498 247 K N 0.055 120.221 120.400 -0.390 0.000 2.026 247 K HA -0.203 4.117 4.320 0.001 0.000 0.208 247 K C 2.061 178.517 176.600 -0.240 0.000 1.048 247 K CA 1.889 57.937 56.287 -0.398 0.000 0.929 247 K CB -0.304 32.092 32.500 -0.173 0.000 0.713 247 K HN 0.407 nan 8.250 nan 0.000 0.439 248 E N 0.549 120.665 120.200 -0.140 0.000 2.070 248 E HA -0.196 4.155 4.350 0.001 0.000 0.197 248 E C 2.020 178.586 176.600 -0.056 0.000 1.004 248 E CA 1.609 57.961 56.400 -0.079 0.000 0.805 248 E CB -0.037 29.623 29.700 -0.067 0.000 0.744 248 E HN 0.038 nan 8.360 nan 0.000 0.451 249 V N 0.667 120.532 119.914 -0.082 0.000 2.358 249 V HA -0.233 3.887 4.120 0.001 0.000 0.246 249 V C 2.362 178.471 176.094 0.026 0.000 1.047 249 V CA 1.774 64.070 62.300 -0.007 0.000 1.035 249 V CB -0.507 31.311 31.823 -0.007 0.000 0.658 249 V HN 0.217 nan 8.190 nan 0.000 0.452 250 R N 0.097 120.508 120.500 -0.148 0.000 2.083 250 R HA -0.236 4.105 4.340 0.001 0.000 0.237 250 R C 2.360 178.627 176.300 -0.054 0.000 1.137 250 R CA 2.188 58.194 56.100 -0.156 0.000 0.951 250 R CB -0.212 29.821 30.300 -0.445 0.000 0.851 250 R HN 0.601 nan 8.270 nan 0.000 0.434 251 E N -0.615 119.546 120.200 -0.065 0.000 2.085 251 E HA -0.228 4.122 4.350 0.001 0.000 0.194 251 E C 1.672 178.286 176.600 0.023 0.000 0.994 251 E CA 1.648 58.031 56.400 -0.028 0.000 0.801 251 E CB -0.220 29.461 29.700 -0.031 0.000 0.743 251 E HN 0.312 nan 8.360 nan 0.000 0.453 252 F N 0.721 120.641 119.950 -0.050 0.000 2.171 252 F HA -0.161 4.366 4.527 0.001 0.000 0.300 252 F C 1.840 177.665 175.800 0.041 0.000 1.090 252 F CA 1.253 59.238 58.000 -0.024 0.000 1.293 252 F CB 0.031 39.013 39.000 -0.029 0.000 1.013 252 F HN -0.045 nan 8.300 nan 0.000 0.486 253 I N 0.036 120.722 120.570 0.193 0.000 2.353 253 I HA -0.222 3.949 4.170 0.001 0.000 0.248 253 I C 2.168 178.277 176.117 -0.013 0.000 1.119 253 I CA 1.355 62.770 61.300 0.193 0.000 1.417 253 I CB -0.434 37.727 38.000 0.268 0.000 1.078 253 I HN 0.172 nan 8.210 nan 0.000 0.421 254 E N 0.241 120.411 120.200 -0.049 0.000 2.076 254 E HA -0.185 4.166 4.350 0.001 0.000 0.190 254 E C 2.064 178.587 176.600 -0.129 0.000 0.979 254 E CA 0.910 57.255 56.400 -0.092 0.000 0.807 254 E CB 0.021 29.680 29.700 -0.069 0.000 0.761 254 E HN 0.568 nan 8.360 nan 0.000 0.454 255 Q N -0.313 119.396 119.800 -0.152 0.000 2.376 255 Q HA 0.021 4.362 4.340 0.001 0.000 0.206 255 Q C 1.703 177.549 176.000 -0.257 0.000 0.921 255 Q CA 0.491 56.191 55.803 -0.171 0.000 0.911 255 Q CB 1.009 29.669 28.738 -0.130 0.000 1.032 255 Q HN 0.078 nan 8.270 nan 0.000 0.510 256 V N -1.410 118.237 119.914 -0.445 0.000 3.134 256 V HA -0.082 4.039 4.120 0.001 0.000 0.222 256 V C 1.449 177.378 176.094 -0.276 0.000 1.247 256 V CA 0.347 62.291 62.300 -0.594 0.000 1.281 256 V CB -0.808 30.183 31.823 -1.385 0.000 1.169 256 V HN 0.188 nan 8.190 nan 0.000 0.512 257 Y N 1.907 121.962 120.300 -0.408 0.000 2.081 257 Y HA -0.236 4.315 4.550 0.001 0.000 0.280 257 Y C 2.344 178.071 175.900 -0.288 0.000 1.163 257 Y CA 1.740 59.765 58.100 -0.125 0.000 1.135 257 Y CB -0.512 37.955 38.460 0.012 0.000 0.970 257 Y HN 0.125 nan 8.280 nan 0.000 0.498 258 I N 0.390 120.732 120.570 -0.380 0.000 2.226 258 I HA -0.278 3.892 4.170 0.001 0.000 0.245 258 I C 2.562 178.482 176.117 -0.327 0.000 1.100 258 I CA 2.109 63.104 61.300 -0.508 0.000 1.374 258 I CB -2.006 35.762 38.000 -0.386 0.000 1.057 258 I HN 0.428 nan 8.210 nan 0.000 0.413 259 T N -1.231 113.206 114.554 -0.195 0.000 2.746 259 T HA -0.176 4.174 4.350 0.001 0.000 0.267 259 T C 1.555 176.230 174.700 -0.043 0.000 1.039 259 T CA 1.541 63.578 62.100 -0.106 0.000 1.142 259 T CB -0.366 68.461 68.868 -0.068 0.000 0.866 259 T HN 0.153 nan 8.240 nan 0.000 0.444 260 D N 1.076 121.494 120.400 0.030 0.000 2.144 260 D HA 0.040 4.680 4.640 0.001 0.000 0.200 260 D C 2.017 178.346 176.300 0.048 0.000 0.978 260 D CA 0.678 54.782 54.000 0.174 0.000 0.833 260 D CB -0.503 40.574 40.800 0.461 0.000 0.961 260 D HN 0.361 nan 8.370 nan 0.000 0.470 261 L N 0.494 121.571 121.223 -0.243 0.000 1.994 261 L HA -0.124 4.217 4.340 0.001 0.000 0.208 261 L C 1.992 178.722 176.870 -0.232 0.000 1.071 261 L CA 1.596 56.175 54.840 -0.435 0.000 0.745 261 L CB -0.611 40.949 42.059 -0.833 0.000 0.892 261 L HN 0.005 nan 8.230 nan 0.000 0.431 262 L N -0.423 120.672 121.223 -0.214 0.000 2.141 262 L HA -0.126 4.214 4.340 0.001 0.000 0.209 262 L C 2.716 179.523 176.870 -0.106 0.000 1.094 262 L CA 1.004 55.743 54.840 -0.167 0.000 0.763 262 L CB -1.090 40.867 42.059 -0.170 0.000 0.908 262 L HN 0.411 nan 8.230 nan 0.000 0.437 263 A N -0.038 122.759 122.820 -0.039 0.000 1.858 263 A HA -0.138 4.182 4.320 0.001 0.000 0.216 263 A C 2.360 180.040 177.584 0.160 0.000 1.190 263 A CA 1.836 53.897 52.037 0.040 0.000 0.617 263 A CB -0.852 18.218 19.000 0.118 0.000 0.827 263 A HN 0.155 nan 8.150 nan 0.000 0.443 264 V N -0.078 119.958 119.914 0.204 0.000 2.307 264 V HA -0.225 3.895 4.120 0.001 0.000 0.245 264 V C 3.065 179.300 176.094 0.235 0.000 1.045 264 V CA 1.889 64.382 62.300 0.321 0.000 1.024 264 V CB -1.257 30.687 31.823 0.202 0.000 0.651 264 V HN 0.616 nan 8.190 nan 0.000 0.449 265 A N 0.626 123.444 122.820 -0.003 0.000 1.940 265 A HA -0.140 4.181 4.320 0.001 0.000 0.219 265 A C 2.399 179.973 177.584 -0.015 0.000 1.176 265 A CA 1.924 53.918 52.037 -0.071 0.000 0.631 265 A CB -1.211 17.691 19.000 -0.163 0.000 0.814 265 A HN 0.557 nan 8.150 nan 0.000 0.446 266 G N -1.602 107.130 108.800 -0.114 0.000 2.462 266 G HA2 -0.138 3.822 3.960 0.001 0.000 0.220 266 G HA3 -0.138 3.822 3.960 0.001 0.000 0.220 266 G C 0.989 175.646 174.900 -0.405 0.000 1.121 266 G CA 0.949 45.875 45.100 -0.290 0.000 0.758 266 G HN 0.485 nan 8.290 nan 0.000 0.559 267 F N -1.261 118.680 119.950 -0.015 0.000 2.693 267 F HA 0.401 4.929 4.527 0.001 0.000 0.303 267 F C 0.236 175.901 175.800 -0.224 0.000 1.097 267 F CA -0.341 57.573 58.000 -0.143 0.000 1.330 267 F CB 0.417 39.245 39.000 -0.287 0.000 1.067 267 F HN 0.063 nan 8.300 nan 0.000 0.565 268 Y N -0.889 119.539 120.300 0.213 0.000 2.685 268 Y HA 0.235 4.786 4.550 0.001 0.000 0.257 268 Y C 1.287 177.355 175.900 0.279 0.000 1.053 268 Y CA -1.080 57.210 58.100 0.316 0.000 1.106 268 Y CB -0.203 38.419 38.460 0.269 0.000 1.193 268 Y HN -0.129 nan 8.280 nan 0.000 0.602 269 K N 0.356 120.907 120.400 0.251 0.000 2.360 269 K HA -0.205 4.116 4.320 0.001 0.000 0.201 269 K C 1.386 178.090 176.600 0.173 0.000 1.046 269 K CA 1.704 58.084 56.287 0.155 0.000 0.940 269 K CB -0.076 32.458 32.500 0.056 0.000 0.748 269 K HN 0.649 nan 8.250 nan 0.000 0.465 270 N N -0.996 117.832 118.700 0.213 0.000 2.512 270 N HA -0.154 4.587 4.740 0.001 0.000 0.183 270 N C 1.062 176.582 175.510 0.017 0.000 1.073 270 N CA 0.434 53.531 53.050 0.079 0.000 0.911 270 N CB -0.179 38.328 38.487 0.033 0.000 0.964 270 N HN 0.167 nan 8.380 nan 0.000 0.447 271 W N 0.054 121.459 121.300 0.176 0.000 3.180 271 W HA 0.404 5.064 4.660 0.000 0.000 0.254 271 W C 1.749 178.337 176.519 0.114 0.000 1.318 271 W CA 0.088 57.541 57.345 0.181 0.000 1.608 271 W CB 0.103 29.721 29.460 0.265 0.000 1.124 271 W HN 0.204 nan 8.180 nan 0.000 0.694 272 A N -0.325 122.628 122.820 0.221 0.000 2.238 272 A HA 0.299 4.619 4.320 0.001 0.000 0.208 272 A C 1.845 179.490 177.584 0.102 0.000 1.177 272 A CA 1.138 53.255 52.037 0.133 0.000 0.804 272 A CB -0.530 18.518 19.000 0.080 0.000 0.823 272 A HN 0.203 nan 8.150 nan 0.000 0.482 273 G N -0.737 108.108 108.800 0.075 0.000 3.695 273 G HA2 0.472 4.433 3.960 0.001 0.000 0.277 273 G HA3 0.472 4.433 3.960 0.001 0.000 0.277 273 G C -0.070 174.835 174.900 0.008 0.000 1.001 273 G CA -0.084 45.039 45.100 0.038 0.000 0.837 273 G HN 0.285 nan 8.290 nan 0.000 0.492 274 I N 0.153 120.742 120.570 0.032 0.000 2.509 274 I HA 0.548 4.719 4.170 0.001 0.000 0.293 274 I C 0.955 177.178 176.117 0.177 0.000 1.020 274 I CA -0.502 60.796 61.300 -0.002 0.000 1.088 274 I CB 2.170 39.964 38.000 -0.342 0.000 1.267 274 I HN 0.142 nan 8.210 nan 0.000 0.430 275 G N 3.880 112.776 108.800 0.160 0.000 2.212 275 G HA2 -0.267 3.693 3.960 0.001 0.000 0.255 275 G HA3 -0.267 3.693 3.960 0.001 0.000 0.255 275 G C -0.018 175.012 174.900 0.216 0.000 1.062 275 G CA -0.116 45.115 45.100 0.218 0.000 0.815 275 G HN 0.675 nan 8.290 nan 0.000 0.497 276 K N 0.613 121.118 120.400 0.176 0.000 2.270 276 K HA 0.597 4.917 4.320 0.001 0.000 0.276 276 K C 0.748 177.448 176.600 0.166 0.000 1.023 276 K CA 0.422 56.827 56.287 0.196 0.000 0.955 276 K CB 0.444 33.045 32.500 0.169 0.000 0.975 276 K HN 0.421 nan 8.250 nan 0.000 0.471 277 T N -0.628 114.055 114.554 0.214 0.000 2.896 277 T HA 0.526 4.876 4.350 0.001 0.000 0.297 277 T C -0.743 174.007 174.700 0.083 0.000 1.108 277 T CA -0.984 61.181 62.100 0.107 0.000 1.004 277 T CB 1.720 70.669 68.868 0.136 0.000 1.159 277 T HN 0.388 nan 8.240 nan 0.000 0.499 278 S N 1.280 116.839 115.700 -0.235 0.000 2.566 278 S HA 0.783 5.253 4.470 0.001 0.000 0.298 278 S C -1.137 172.960 174.600 -0.838 0.000 1.083 278 S CA -0.909 57.083 58.200 -0.347 0.000 0.978 278 S CB 0.871 63.952 63.200 -0.198 0.000 1.073 278 S HN 0.933 nan 8.310 nan 0.000 0.491 279 N N 0.450 118.685 118.700 -0.774 0.000 2.883 279 N HA -0.133 4.608 4.740 0.001 0.000 0.277 279 N C -1.849 172.959 175.510 -1.170 0.000 1.707 279 N CA 0.617 52.987 53.050 -1.135 0.000 1.494 279 N CB -1.156 36.313 38.487 -1.695 0.000 0.821 279 N HN 0.514 nan 8.380 nan 0.000 0.482 280 F N 1.314 121.216 119.950 -0.080 0.000 2.565 280 F HA 0.779 5.307 4.527 0.001 0.000 0.313 280 F C 0.220 176.050 175.800 0.051 0.000 1.091 280 F CA -1.079 56.960 58.000 0.065 0.000 0.915 280 F CB 1.548 40.565 39.000 0.028 0.000 1.208 280 F HN 0.323 nan 8.300 nan 0.000 0.453 281 L N 0.039 121.258 121.223 -0.006 0.000 2.465 281 L HA 0.989 5.329 4.340 0.001 0.000 0.257 281 L C -0.818 175.795 176.870 -0.429 0.000 0.988 281 L CA -0.546 54.068 54.840 -0.376 0.000 0.827 281 L CB 1.827 43.367 42.059 -0.865 0.000 1.397 281 L HN 0.608 nan 8.230 nan 0.000 0.410 282 T N -0.472 113.763 114.554 -0.532 0.000 2.889 282 T HA 0.465 4.815 4.350 0.001 0.000 0.315 282 T C 0.393 174.623 174.700 -0.783 0.000 1.291 282 T CA 0.099 61.877 62.100 -0.536 0.000 1.028 282 T CB 1.054 69.747 68.868 -0.291 0.000 1.235 282 T HN 1.227 nan 8.240 nan 0.000 0.491 283 C N 1.398 120.244 119.300 -0.757 0.000 2.926 283 C HA 0.759 5.219 4.460 0.001 0.000 0.272 283 C C 1.513 176.309 174.990 -0.324 0.000 1.249 283 C CA 0.034 58.616 59.018 -0.726 0.000 1.691 283 C CB -1.540 25.775 27.740 -0.708 0.000 1.983 283 C HN 1.585 nan 8.230 nan 0.000 0.615 284 G N 0.816 109.465 108.800 -0.253 0.000 2.829 284 G HA2 0.194 4.154 3.960 0.001 0.000 0.628 284 G HA3 0.194 4.154 3.960 0.001 0.000 0.628 284 G C -1.007 173.811 174.900 -0.136 0.000 1.412 284 G CA 0.209 45.223 45.100 -0.144 0.000 0.864 284 G HN 0.758 nan 8.290 nan 0.000 0.544 285 E N -1.379 118.761 120.200 -0.099 0.000 2.446 285 E HA 0.755 5.106 4.350 0.001 0.000 0.276 285 E C -0.191 176.310 176.600 -0.166 0.000 0.969 285 E CA -0.790 55.407 56.400 -0.338 0.000 0.800 285 E CB 0.669 29.919 29.700 -0.750 0.000 1.341 285 E HN 1.490 nan 8.360 nan 0.000 0.460 286 F N -0.774 119.156 119.950 -0.034 0.000 2.616 286 F HA -0.133 4.394 4.527 0.001 0.000 0.399 286 F C -2.137 173.646 175.800 -0.029 0.000 1.110 286 F CA 0.315 58.255 58.000 -0.100 0.000 1.278 286 F CB -1.688 37.365 39.000 0.087 0.000 1.799 286 F HN 0.205 nan 8.300 nan 0.000 0.784 287 P HA 0.261 nan 4.420 nan 0.000 0.276 287 P C 0.724 178.042 177.300 0.029 0.000 1.252 287 P CA 0.324 63.446 63.100 0.037 0.000 0.802 287 P CB 1.439 33.124 31.700 -0.024 0.000 1.035 288 T N -3.644 110.945 114.554 0.059 0.000 3.038 288 T HA 0.098 4.448 4.350 0.001 0.000 0.244 288 T C 0.303 175.025 174.700 0.037 0.000 1.016 288 T CA 0.411 62.541 62.100 0.050 0.000 1.098 288 T CB -0.315 68.600 68.868 0.078 0.000 0.954 288 T HN 0.338 nan 8.240 nan 0.000 0.469 289 D N 1.362 121.793 120.400 0.050 0.000 2.414 289 D HA 0.236 4.877 4.640 0.001 0.000 0.232 289 D C 0.825 177.158 176.300 0.056 0.000 1.070 289 D CA -0.507 53.535 54.000 0.069 0.000 0.839 289 D CB 1.329 42.179 40.800 0.083 0.000 1.079 289 D HN 0.032 nan 8.370 nan 0.000 0.521 290 E N 2.693 122.924 120.200 0.052 0.000 2.472 290 E HA -0.156 4.195 4.350 0.001 0.000 0.200 290 E C 0.172 176.666 176.600 -0.177 0.000 1.046 290 E CA 0.699 57.059 56.400 -0.068 0.000 0.871 290 E CB 0.196 29.840 29.700 -0.093 0.000 0.806 290 E HN 0.639 nan 8.360 nan 0.000 0.533 291 Y N -0.192 120.100 120.300 -0.013 0.000 2.612 291 Y HA 0.202 4.752 4.550 0.001 0.000 0.250 291 Y C -0.053 175.859 175.900 0.020 0.000 1.175 291 Y CA -0.514 57.587 58.100 0.001 0.000 1.205 291 Y CB 0.899 39.355 38.460 -0.006 0.000 1.201 291 Y HN -0.178 nan 8.280 nan 0.000 0.532 292 D N -0.053 120.409 120.400 0.104 0.000 2.575 292 D HA 0.256 4.897 4.640 0.001 0.000 0.250 292 D C 0.523 176.855 176.300 0.053 0.000 1.279 292 D CA -0.151 53.899 54.000 0.083 0.000 0.925 292 D CB 1.102 41.953 40.800 0.085 0.000 1.261 292 D HN 0.058 nan 8.370 nan 0.000 0.567 293 L N 2.531 123.782 121.223 0.047 0.000 2.191 293 L HA -0.068 4.272 4.340 0.001 0.000 0.212 293 L C 1.222 178.108 176.870 0.027 0.000 1.103 293 L CA 0.686 55.542 54.840 0.026 0.000 0.769 293 L CB -0.097 41.976 42.059 0.023 0.000 0.908 293 L HN 0.401 nan 8.230 nan 0.000 0.438 294 N N -0.482 118.243 118.700 0.041 0.000 2.449 294 N HA -0.048 4.693 4.740 0.001 0.000 0.191 294 N C 1.514 177.058 175.510 0.058 0.000 1.161 294 N CA 0.740 53.816 53.050 0.044 0.000 0.863 294 N CB 0.250 38.763 38.487 0.044 0.000 0.980 294 N HN 0.296 nan 8.380 nan 0.000 0.458 295 S N -0.891 114.847 115.700 0.064 0.000 2.577 295 S HA 0.229 4.700 4.470 0.001 0.000 0.219 295 S C 0.709 175.376 174.600 0.111 0.000 0.962 295 S CA -0.461 57.788 58.200 0.082 0.000 0.921 295 S CB 0.480 63.725 63.200 0.075 0.000 0.789 295 S HN 0.046 nan 8.310 nan 0.000 0.497 296 R N 0.651 121.211 120.500 0.100 0.000 2.438 296 R HA 0.237 4.577 4.340 0.001 0.000 0.287 296 R C 0.842 177.277 176.300 0.225 0.000 1.077 296 R CA -0.363 55.824 56.100 0.146 0.000 1.034 296 R CB 0.256 30.593 30.300 0.063 0.000 0.993 296 R HN 0.334 nan 8.270 nan 0.000 0.459 297 Y N 2.788 123.231 120.300 0.239 0.000 2.053 297 Y HA -0.227 4.323 4.550 0.001 0.000 0.277 297 Y C 0.974 176.963 175.900 0.148 0.000 1.159 297 Y CA 1.818 60.083 58.100 0.276 0.000 1.125 297 Y CB -0.091 38.607 38.460 0.397 0.000 0.969 297 Y HN 0.557 nan 8.280 nan 0.000 0.492 298 T N 1.373 115.916 114.554 -0.017 0.000 2.806 298 T HA 0.421 4.771 4.350 0.001 0.000 0.290 298 T C -2.580 172.012 174.700 -0.180 0.000 0.966 298 T CA -2.150 59.726 62.100 -0.375 0.000 1.060 298 T CB 1.588 70.373 68.868 -0.139 0.000 0.927 298 T HN 0.138 nan 8.240 nan 0.000 0.485 299 P HA 0.215 nan 4.420 nan 0.000 0.276 299 P C -0.808 176.420 177.300 -0.121 0.000 1.252 299 P CA -0.524 62.504 63.100 -0.119 0.000 0.802 299 P CB 0.724 32.365 31.700 -0.098 0.000 1.035 300 Q N 0.413 120.155 119.800 -0.097 0.000 2.214 300 Q HA 0.758 5.098 4.340 0.001 0.000 0.251 300 Q C -0.215 175.739 176.000 -0.076 0.000 0.936 300 Q CA -0.902 54.823 55.803 -0.130 0.000 0.894 300 Q CB 1.011 29.688 28.738 -0.102 0.000 1.252 300 Q HN 0.806 nan 8.270 nan 0.000 0.448 301 G N -0.639 108.102 108.800 -0.099 0.000 2.316 301 G HA2 0.464 4.425 3.960 0.001 0.000 0.296 301 G HA3 0.464 4.425 3.960 0.001 0.000 0.296 301 G C -1.907 172.942 174.900 -0.084 0.000 1.399 301 G CA -0.304 44.780 45.100 -0.027 0.000 0.833 301 G HN 0.738 nan 8.290 nan 0.000 0.565 302 V N 1.070 120.963 119.914 -0.034 0.000 2.524 302 V HA 0.481 4.601 4.120 0.001 0.000 0.297 302 V C -0.122 175.971 176.094 -0.003 0.000 1.035 302 V CA -0.550 61.678 62.300 -0.120 0.000 0.867 302 V CB 1.472 33.185 31.823 -0.183 0.000 1.004 302 V HN 0.666 nan 8.190 nan 0.000 0.426 303 I N 3.884 124.489 120.570 0.058 0.000 2.353 303 I HA 0.379 4.549 4.170 0.001 0.000 0.293 303 I C -0.732 175.447 176.117 0.103 0.000 0.992 303 I CA -0.258 61.151 61.300 0.182 0.000 1.268 303 I CB 1.457 39.639 38.000 0.304 0.000 1.387 303 I HN 0.569 nan 8.210 nan 0.000 0.478 304 W N 4.667 126.091 121.300 0.207 0.000 2.496 304 W HA 0.559 5.219 4.660 0.001 0.000 0.327 304 W C 1.053 177.599 176.519 0.045 0.000 1.086 304 W CA 0.599 58.014 57.345 0.118 0.000 1.222 304 W CB 1.360 30.905 29.460 0.143 0.000 1.304 304 W HN 0.828 nan 8.180 nan 0.000 0.547 305 G N 2.756 111.669 108.800 0.187 0.000 2.622 305 G HA2 -0.406 3.555 3.960 0.001 0.000 0.307 305 G HA3 -0.406 3.555 3.960 0.001 0.000 0.307 305 G C 0.232 175.172 174.900 0.067 0.000 1.226 305 G CA 1.060 46.196 45.100 0.060 0.000 0.997 305 G HN 0.647 nan 8.290 nan 0.000 0.551 306 N N 0.816 119.501 118.700 -0.025 0.000 2.433 306 N HA 0.340 5.080 4.740 0.001 0.000 0.270 306 N C -1.162 174.274 175.510 -0.122 0.000 1.354 306 N CA 0.014 52.917 53.050 -0.246 0.000 0.889 306 N CB 0.932 38.950 38.487 -0.782 0.000 1.285 306 N HN 0.435 nan 8.380 nan 0.000 0.503 307 D N 1.094 121.536 120.400 0.070 0.000 2.441 307 D HA 0.160 4.801 4.640 0.001 0.000 0.221 307 D C 0.697 177.094 176.300 0.160 0.000 1.156 307 D CA -0.211 53.852 54.000 0.105 0.000 0.896 307 D CB 0.643 41.512 40.800 0.116 0.000 1.028 307 D HN 0.199 nan 8.370 nan 0.000 0.509 308 L N 2.349 123.672 121.223 0.167 0.000 2.599 308 L HA -0.005 4.335 4.340 0.001 0.000 0.230 308 L C 2.014 178.941 176.870 0.095 0.000 1.141 308 L CA 0.225 55.162 54.840 0.162 0.000 0.877 308 L CB -0.203 41.978 42.059 0.203 0.000 1.009 308 L HN 0.320 nan 8.230 nan 0.000 0.447 309 S N -1.044 114.708 115.700 0.086 0.000 2.478 309 S HA -0.036 4.434 4.470 0.001 0.000 0.222 309 S C 0.880 175.519 174.600 0.066 0.000 1.008 309 S CA 0.005 58.239 58.200 0.056 0.000 0.928 309 S CB 0.167 63.396 63.200 0.048 0.000 0.781 309 S HN 0.286 nan 8.310 nan 0.000 0.518 310 K N 1.429 121.889 120.400 0.099 0.000 2.559 310 K HA 0.531 4.852 4.320 0.001 0.000 0.249 310 K C -1.857 174.837 176.600 0.157 0.000 0.958 310 K CA -0.508 55.849 56.287 0.118 0.000 0.901 310 K CB 1.848 34.423 32.500 0.125 0.000 1.124 310 K HN 0.077 nan 8.250 nan 0.000 0.437 311 V N 4.123 124.113 119.914 0.126 0.000 2.328 311 V HA 0.183 4.303 4.120 0.001 0.000 0.278 311 V C -0.204 175.976 176.094 0.142 0.000 1.021 311 V CA -0.812 61.565 62.300 0.127 0.000 0.838 311 V CB 1.169 33.038 31.823 0.077 0.000 0.999 311 V HN 0.763 nan 8.190 nan 0.000 0.447 312 D N 2.366 122.884 120.400 0.197 0.000 2.411 312 D HA 0.288 4.928 4.640 0.001 0.000 0.251 312 D C -0.243 176.149 176.300 0.153 0.000 1.201 312 D CA -0.281 53.845 54.000 0.210 0.000 0.996 312 D CB 0.633 41.642 40.800 0.349 0.000 1.101 312 D HN 0.436 nan 8.370 nan 0.000 0.504 313 D N -0.206 120.288 120.400 0.155 0.000 2.256 313 D HA 0.137 4.777 4.640 0.001 0.000 0.250 313 D C -0.518 175.878 176.300 0.160 0.000 1.093 313 D CA -0.385 53.691 54.000 0.127 0.000 0.882 313 D CB 0.384 41.239 40.800 0.092 0.000 1.185 313 D HN 0.113 nan 8.370 nan 0.000 0.437 314 F N 3.358 123.291 119.950 -0.028 0.000 2.472 314 F HA 0.219 4.746 4.527 0.001 0.000 0.364 314 F C -0.078 175.735 175.800 0.020 0.000 1.090 314 F CA -0.539 57.414 58.000 -0.078 0.000 1.188 314 F CB 0.196 39.056 39.000 -0.233 0.000 1.105 314 F HN 0.046 nan 8.300 nan 0.000 0.536 315 N N 8.697 127.160 118.700 -0.396 0.000 2.569 315 N HA 0.379 5.119 4.740 0.001 0.000 0.254 315 N C -2.216 173.083 175.510 -0.351 0.000 1.004 315 N CA -2.610 50.238 53.050 -0.337 0.000 0.904 315 N CB 1.601 40.054 38.487 -0.057 0.000 1.165 315 N HN 0.273 nan 8.380 nan 0.000 0.513 316 P HA -0.003 nan 4.420 nan 0.000 0.230 316 P C 0.055 177.564 177.300 0.349 0.000 1.158 316 P CA 0.745 63.857 63.100 0.020 0.000 0.769 316 P CB 0.553 32.404 31.700 0.253 0.000 0.807 317 D N -0.290 120.203 120.400 0.155 0.000 2.312 317 D HA -0.001 4.640 4.640 0.001 0.000 0.211 317 D C 1.737 178.100 176.300 0.104 0.000 0.964 317 D CA 0.605 54.687 54.000 0.136 0.000 0.877 317 D CB -0.209 40.600 40.800 0.015 0.000 0.924 317 D HN 0.274 nan 8.370 nan 0.000 0.515 318 L N 0.544 121.759 121.223 -0.012 0.000 2.599 318 L HA 0.160 4.501 4.340 0.001 0.000 0.230 318 L C 0.686 177.524 176.870 -0.053 0.000 1.141 318 L CA 0.100 54.824 54.840 -0.194 0.000 0.877 318 L CB 0.017 41.618 42.059 -0.763 0.000 1.009 318 L HN -0.139 nan 8.230 nan 0.000 0.447 319 I N 0.245 120.922 120.570 0.178 0.000 2.365 319 I HA 0.161 4.331 4.170 0.001 0.000 0.291 319 I C 0.198 176.330 176.117 0.025 0.000 1.004 319 I CA 0.090 61.522 61.300 0.219 0.000 1.311 319 I CB 1.088 39.245 38.000 0.261 0.000 1.401 319 I HN 0.028 nan 8.210 nan 0.000 0.491 320 E N 5.920 126.119 120.200 -0.002 0.000 2.292 320 E HA 0.353 4.704 4.350 0.001 0.000 0.272 320 E C -1.295 175.223 176.600 -0.136 0.000 0.881 320 E CA -0.690 55.651 56.400 -0.098 0.000 0.754 320 E CB 2.553 32.205 29.700 -0.080 0.000 1.201 320 E HN 0.519 nan 8.360 nan 0.000 0.425 321 E N 2.142 122.216 120.200 -0.210 0.000 2.133 321 E HA 0.271 4.622 4.350 0.001 0.000 0.274 321 E C -0.459 176.015 176.600 -0.209 0.000 0.930 321 E CA -0.434 55.852 56.400 -0.189 0.000 0.770 321 E CB 1.374 30.951 29.700 -0.206 0.000 1.104 321 E HN 0.326 nan 8.360 nan 0.000 0.403 322 H N 0.979 119.962 119.070 -0.144 0.000 2.488 322 H HA 0.212 4.768 4.556 0.001 0.000 0.347 322 H C 0.673 175.940 175.328 -0.102 0.000 1.174 322 H CA -0.295 55.683 56.048 -0.116 0.000 1.307 322 H CB 1.965 31.684 29.762 -0.072 0.000 1.517 322 H HN 0.377 nan 8.280 nan 0.000 0.554 323 V N -0.674 119.245 119.914 0.009 0.000 3.329 323 V HA 0.141 4.261 4.120 0.001 0.000 0.317 323 V C 1.531 177.595 176.094 -0.050 0.000 1.495 323 V CA -0.314 61.995 62.300 0.016 0.000 1.105 323 V CB 0.261 32.112 31.823 0.046 0.000 0.985 323 V HN 0.613 nan 8.190 nan 0.000 0.475 324 K N 0.494 120.844 120.400 -0.082 0.000 2.103 324 K HA -0.086 4.235 4.320 0.001 0.000 0.207 324 K C 0.727 176.985 176.600 -0.571 0.000 1.048 324 K CA 2.087 58.190 56.287 -0.306 0.000 0.930 324 K CB -0.097 32.178 32.500 -0.375 0.000 0.716 324 K HN 0.679 nan 8.250 nan 0.000 0.444 325 Y N -0.049 120.160 120.300 -0.152 0.000 2.720 325 Y HA 0.266 4.817 4.550 0.001 0.000 0.277 325 Y C -0.198 175.358 175.900 -0.574 0.000 1.144 325 Y CA -0.571 57.349 58.100 -0.299 0.000 1.221 325 Y CB 0.937 39.210 38.460 -0.311 0.000 1.163 325 Y HN -0.146 nan 8.280 nan 0.000 0.537 326 S N -1.350 114.136 115.700 -0.356 0.000 2.677 326 S HA 0.308 4.778 4.470 0.001 0.000 0.304 326 S C -0.849 173.477 174.600 -0.457 0.000 1.108 326 S CA -0.798 57.132 58.200 -0.450 0.000 0.944 326 S CB 1.198 64.415 63.200 0.028 0.000 1.127 326 S HN 0.273 nan 8.310 nan 0.000 0.511 327 W N 2.617 123.615 121.300 -0.503 0.000 1.496 327 W HA 0.383 5.044 4.660 0.001 0.000 0.422 327 W C -1.123 174.937 176.519 -0.763 0.000 0.638 327 W CA -0.519 56.388 57.345 -0.730 0.000 2.105 327 W CB -1.308 27.334 29.460 -1.362 0.000 1.639 327 W HN 0.509 nan 8.180 nan 0.000 0.304 328 Y N -0.740 119.598 120.300 0.063 0.000 2.581 328 Y HA 0.223 4.774 4.550 0.001 0.000 0.345 328 Y C 0.585 176.507 175.900 0.037 0.000 1.036 328 Y CA -1.582 56.564 58.100 0.076 0.000 1.042 328 Y CB 1.166 39.668 38.460 0.070 0.000 1.289 328 Y HN -0.046 nan 8.280 nan 0.000 0.471 329 E N 1.210 121.537 120.200 0.212 0.000 2.452 329 E HA 0.315 4.665 4.350 0.001 0.000 0.261 329 E C 0.670 177.320 176.600 0.083 0.000 0.987 329 E CA 1.102 57.572 56.400 0.115 0.000 0.926 329 E CB 0.345 30.107 29.700 0.105 0.000 0.934 329 E HN 0.885 nan 8.360 nan 0.000 0.452 330 G N 2.538 111.358 108.800 0.034 0.000 2.575 330 G HA2 -0.241 3.719 3.960 0.001 0.000 0.267 330 G HA3 -0.241 3.719 3.960 0.001 0.000 0.267 330 G C 0.269 175.147 174.900 -0.036 0.000 1.264 330 G CA -0.036 45.062 45.100 -0.003 0.000 0.935 330 G HN 0.824 nan 8.290 nan 0.000 0.568 331 A N -0.276 122.510 122.820 -0.057 0.000 2.605 331 A HA 0.736 5.056 4.320 0.001 0.000 0.292 331 A C 0.979 178.496 177.584 -0.113 0.000 1.055 331 A CA 1.290 53.276 52.037 -0.086 0.000 0.969 331 A CB 0.001 18.942 19.000 -0.098 0.000 1.236 331 A HN 2.226 nan 8.150 nan 0.000 0.534 332 G N 0.160 108.868 108.800 -0.153 0.000 2.432 332 G HA2 0.537 4.497 3.960 0.001 0.000 0.257 332 G HA3 0.537 4.497 3.960 0.001 0.000 0.257 332 G C 0.056 174.668 174.900 -0.479 0.000 1.238 332 G CA 0.447 45.360 45.100 -0.311 0.000 0.838 332 G HN 0.895 nan 8.290 nan 0.000 0.547 333 A N 2.554 124.998 122.820 -0.625 0.000 2.317 333 A HA 0.732 5.052 4.320 0.001 0.000 0.327 333 A C -0.507 176.662 177.584 -0.692 0.000 1.178 333 A CA -0.669 50.929 52.037 -0.732 0.000 0.817 333 A CB 0.876 19.195 19.000 -1.135 0.000 1.189 333 A HN 0.766 nan 8.150 nan 0.000 0.489 334 H N 1.037 119.967 119.070 -0.233 0.000 2.717 334 H HA 0.274 4.830 4.556 0.001 0.000 0.366 334 H C -0.602 174.622 175.328 -0.174 0.000 1.132 334 H CA -0.434 55.519 56.048 -0.159 0.000 1.180 334 H CB 1.415 31.090 29.762 -0.145 0.000 1.678 334 H HN 0.885 nan 8.280 nan 0.000 0.537 335 H N 3.803 122.840 119.070 -0.054 0.000 2.771 335 H HA 0.005 4.562 4.556 0.001 0.000 0.364 335 H C -1.705 173.420 175.328 -0.339 0.000 1.133 335 H CA -1.302 54.625 56.048 -0.201 0.000 1.423 335 H CB 1.412 31.089 29.762 -0.141 0.000 1.425 335 H HN 0.304 nan 8.280 nan 0.000 0.606 336 P HA -0.169 nan 4.420 nan 0.000 0.218 336 P C 0.833 177.753 177.300 -0.634 0.000 1.146 336 P CA 1.247 63.674 63.100 -1.123 0.000 0.813 336 P CB -0.113 30.384 31.700 -2.006 0.000 0.778 337 Y N 0.111 120.245 120.300 -0.277 0.000 2.421 337 Y HA -0.042 4.508 4.550 0.001 0.000 0.292 337 Y C 1.649 177.521 175.900 -0.046 0.000 1.136 337 Y CA 0.899 59.002 58.100 0.005 0.000 1.255 337 Y CB -0.534 38.031 38.460 0.175 0.000 0.991 337 Y HN -0.023 nan 8.280 nan 0.000 0.552 338 K N -0.210 120.226 120.400 0.061 0.000 2.537 338 K HA 0.254 4.575 4.320 0.001 0.000 0.206 338 K C 0.747 177.184 176.600 -0.271 0.000 1.041 338 K CA -0.074 56.168 56.287 -0.075 0.000 1.090 338 K CB 0.455 32.938 32.500 -0.027 0.000 0.833 338 K HN 0.110 nan 8.250 nan 0.000 0.493 339 G N 1.336 110.017 108.800 -0.198 0.000 2.544 339 G HA2 0.294 4.255 3.960 0.001 0.000 0.242 339 G HA3 0.294 4.255 3.960 0.001 0.000 0.242 339 G C -0.002 174.776 174.900 -0.203 0.000 1.247 339 G CA -0.254 44.729 45.100 -0.194 0.000 0.840 339 G HN 0.060 nan 8.290 nan 0.000 0.578 340 V N -1.549 118.279 119.914 -0.144 0.000 2.925 340 V HA 0.844 4.964 4.120 0.001 0.000 0.311 340 V C -0.301 175.770 176.094 -0.040 0.000 1.104 340 V CA -0.870 61.381 62.300 -0.080 0.000 0.954 340 V CB 2.050 33.820 31.823 -0.089 0.000 1.022 340 V HN 0.654 nan 8.190 nan 0.000 0.427 341 T N 4.459 119.029 114.554 0.026 0.000 3.226 341 T HA 0.458 4.808 4.350 0.001 0.000 0.378 341 T C -0.558 174.275 174.700 0.220 0.000 1.380 341 T CA -0.548 61.611 62.100 0.099 0.000 1.396 341 T CB 0.118 69.086 68.868 0.166 0.000 1.044 341 T HN 0.768 nan 8.240 nan 0.000 0.586 342 K N 3.314 123.878 120.400 0.273 0.000 2.530 342 K HA 0.319 4.640 4.320 0.001 0.000 0.230 342 K C -3.014 173.790 176.600 0.341 0.000 1.002 342 K CA -2.127 54.308 56.287 0.247 0.000 1.014 342 K CB 1.791 34.389 32.500 0.163 0.000 1.286 342 K HN 0.245 nan 8.250 nan 0.000 0.480 343 P HA 0.024 nan 4.420 nan 0.000 0.267 343 P C -0.593 176.753 177.300 0.077 0.000 1.205 343 P CA -0.002 63.103 63.100 0.008 0.000 0.765 343 P CB 0.705 32.169 31.700 -0.394 0.000 0.828 344 K N 4.386 124.824 120.400 0.063 0.000 2.723 344 K HA 0.123 4.444 4.320 0.001 0.000 0.229 344 K C -0.699 175.955 176.600 0.090 0.000 1.022 344 K CA -0.565 55.779 56.287 0.095 0.000 1.045 344 K CB 0.819 33.365 32.500 0.078 0.000 1.227 344 K HN 0.556 nan 8.250 nan 0.000 0.516 345 W N 4.692 125.911 121.300 -0.135 0.000 2.210 345 W HA 0.003 4.664 4.660 0.001 0.000 0.330 345 W C 0.038 176.392 176.519 -0.274 0.000 1.334 345 W CA 0.736 57.833 57.345 -0.414 0.000 1.227 345 W CB 1.011 30.287 29.460 -0.307 0.000 1.178 345 W HN 0.674 nan 8.180 nan 0.000 0.560 346 T N 1.331 115.421 114.554 -0.774 0.000 3.209 346 T HA 0.257 4.607 4.350 0.001 0.000 0.295 346 T C -0.264 173.941 174.700 -0.824 0.000 0.977 346 T CA -0.209 61.552 62.100 -0.565 0.000 0.922 346 T CB 0.082 68.865 68.868 -0.143 0.000 1.152 346 T HN 0.651 nan 8.240 nan 0.000 0.527 347 E N -0.011 119.076 120.200 -1.856 0.000 9.073 347 E HA -0.143 4.207 4.350 0.001 0.000 0.486 347 E C -1.311 175.025 176.600 -0.440 0.000 1.369 347 E CA -0.316 55.187 56.400 -1.496 0.000 2.399 347 E CB -0.808 28.479 29.700 -0.689 0.000 1.019 347 E HN 0.226 nan 8.360 nan 0.000 0.265 348 F N 3.038 122.788 119.950 -0.335 0.000 2.569 348 F HA -0.048 4.480 4.527 0.001 0.000 0.395 348 F C 1.613 177.417 175.800 0.007 0.000 1.028 348 F CA 1.481 59.486 58.000 0.008 0.000 1.158 348 F CB -0.863 38.178 39.000 0.069 0.000 1.023 348 F HN 0.473 nan 8.300 nan 0.000 0.547 349 H N -0.403 118.803 119.070 0.226 0.000 2.958 349 H HA -0.161 4.395 4.556 0.001 0.000 0.274 349 H C 1.044 176.410 175.328 0.064 0.000 1.184 349 H CA 0.586 56.684 56.048 0.084 0.000 1.143 349 H CB -1.424 28.314 29.762 -0.040 0.000 1.297 349 H HN 0.705 nan 8.280 nan 0.000 0.356 350 G N 0.719 109.590 108.800 0.118 0.000 2.356 350 G HA2 0.309 4.269 3.960 0.001 0.000 0.273 350 G HA3 0.309 4.269 3.960 0.001 0.000 0.273 350 G C 0.478 175.403 174.900 0.041 0.000 1.213 350 G CA 0.386 45.494 45.100 0.013 0.000 0.955 350 G HN 0.442 nan 8.290 nan 0.000 0.454 351 E N 2.085 122.307 120.200 0.038 0.000 2.791 351 E HA -0.219 4.132 4.350 0.001 0.000 0.271 351 E C 0.163 176.814 176.600 0.085 0.000 1.044 351 E CA 0.511 56.931 56.400 0.033 0.000 0.814 351 E CB -0.792 28.903 29.700 -0.009 0.000 1.400 351 E HN 0.810 nan 8.360 nan 0.000 0.423 352 D N -2.268 118.231 120.400 0.165 0.000 3.028 352 D HA -0.192 4.449 4.640 0.001 0.000 0.207 352 D C 0.062 176.589 176.300 0.378 0.000 1.100 352 D CA 1.570 55.763 54.000 0.321 0.000 0.995 352 D CB -0.927 40.141 40.800 0.447 0.000 1.108 352 D HN 0.418 nan 8.370 nan 0.000 0.421 353 R N 0.237 120.802 120.500 0.108 0.000 2.390 353 R HA 0.340 4.681 4.340 0.001 0.000 0.291 353 R C 0.921 176.990 176.300 -0.385 0.000 1.070 353 R CA -0.139 55.840 56.100 -0.202 0.000 1.014 353 R CB 0.267 30.364 30.300 -0.339 0.000 1.007 353 R HN 0.354 nan 8.270 nan 0.000 0.466 354 Y N -1.703 118.103 120.300 -0.824 0.000 2.809 354 Y HA 0.493 5.044 4.550 0.001 0.000 0.251 354 Y C -0.548 174.603 175.900 -1.248 0.000 1.136 354 Y CA -0.730 56.760 58.100 -1.017 0.000 1.185 354 Y CB 0.695 38.769 38.460 -0.642 0.000 1.260 354 Y HN 0.410 nan 8.280 nan 0.000 0.576 355 S N -0.667 113.960 115.700 -1.789 0.000 2.537 355 S HA 0.241 4.712 4.470 0.001 0.000 0.271 355 S C -1.127 173.097 174.600 -0.627 0.000 1.148 355 S CA -0.674 56.952 58.200 -0.956 0.000 0.868 355 S CB 0.291 63.180 63.200 -0.519 0.000 1.115 355 S HN 0.449 nan 8.310 nan 0.000 0.461 356 W N 2.577 123.949 121.300 0.121 0.000 3.139 356 W HA 0.323 4.983 4.660 0.001 0.000 0.260 356 W C 0.904 177.601 176.519 0.296 0.000 1.312 356 W CA -0.331 57.199 57.345 0.309 0.000 1.606 356 W CB 0.308 30.037 29.460 0.448 0.000 1.118 356 W HN 0.276 nan 8.180 nan 0.000 0.675 357 M N 1.193 120.987 119.600 0.324 0.000 2.277 357 M HA 0.182 4.662 4.480 0.001 0.000 0.350 357 M C 0.441 176.835 176.300 0.157 0.000 1.180 357 M CA -0.011 55.416 55.300 0.212 0.000 1.103 357 M CB 1.242 33.902 32.600 0.100 0.000 1.577 357 M HN -0.247 nan 8.290 nan 0.000 0.459 358 K N 1.196 121.657 120.400 0.101 0.000 2.117 358 K HA 0.553 4.874 4.320 0.001 0.000 0.240 358 K C -0.350 176.220 176.600 -0.049 0.000 1.031 358 K CA -0.496 55.791 56.287 -0.000 0.000 0.909 358 K CB 0.765 33.197 32.500 -0.113 0.000 1.097 358 K HN 0.727 nan 8.250 nan 0.000 0.492 359 A N 2.658 125.444 122.820 -0.057 0.000 2.511 359 A HA 0.362 4.683 4.320 0.001 0.000 0.340 359 A C -2.497 175.009 177.584 -0.130 0.000 1.396 359 A CA -1.736 50.255 52.037 -0.077 0.000 0.887 359 A CB 0.198 19.186 19.000 -0.021 0.000 1.145 359 A HN 0.299 nan 8.150 nan 0.000 0.497 360 P HA 0.354 nan 4.420 nan 0.000 0.271 360 P C -0.392 176.620 177.300 -0.480 0.000 1.220 360 P CA -0.048 62.645 63.100 -0.678 0.000 0.768 360 P CB 0.666 31.422 31.700 -1.573 0.000 0.848 361 R N 2.471 122.903 120.500 -0.114 0.000 2.670 361 R HA 0.453 4.793 4.340 0.001 0.000 0.289 361 R C -1.362 175.212 176.300 0.457 0.000 0.965 361 R CA -1.254 54.989 56.100 0.237 0.000 0.899 361 R CB 0.734 31.172 30.300 0.230 0.000 1.173 361 R HN 0.452 nan 8.270 nan 0.000 0.456 362 Y N 2.520 123.139 120.300 0.531 0.000 2.369 362 Y HA 0.187 4.737 4.550 0.001 0.000 0.337 362 Y C 0.627 176.763 175.900 0.394 0.000 0.961 362 Y CA -0.527 57.794 58.100 0.368 0.000 1.186 362 Y CB 0.749 39.131 38.460 -0.131 0.000 1.139 362 Y HN 0.729 nan 8.280 nan 0.000 0.494 363 K N 4.724 125.105 120.400 -0.031 0.000 3.077 363 K HA -0.255 4.065 4.320 0.001 0.000 0.264 363 K C 0.788 177.536 176.600 0.247 0.000 1.008 363 K CA 1.062 57.381 56.287 0.053 0.000 0.740 363 K CB -1.533 31.041 32.500 0.124 0.000 1.273 363 K HN 1.468 nan 8.250 nan 0.000 0.477 364 G N -0.922 108.028 108.800 0.250 0.000 2.184 364 G HA2 -0.285 3.676 3.960 0.001 0.000 0.264 364 G HA3 -0.285 3.676 3.960 0.001 0.000 0.264 364 G C -0.252 174.813 174.900 0.275 0.000 0.975 364 G CA 0.817 46.061 45.100 0.240 0.000 0.642 364 G HN 0.485 nan 8.290 nan 0.000 0.536 365 E N -0.059 120.405 120.200 0.440 0.000 2.222 365 E HA 0.710 5.060 4.350 0.001 0.000 0.267 365 E C 0.444 177.324 176.600 0.467 0.000 0.963 365 E CA -0.052 56.603 56.400 0.425 0.000 0.837 365 E CB 1.601 31.657 29.700 0.593 0.000 1.183 365 E HN 0.718 nan 8.360 nan 0.000 0.403 366 A N 1.997 124.964 122.820 0.246 0.000 2.363 366 A HA 0.557 4.877 4.320 0.001 0.000 0.270 366 A C -0.845 176.835 177.584 0.161 0.000 1.121 366 A CA -0.014 52.160 52.037 0.229 0.000 0.800 366 A CB -0.015 19.025 19.000 0.067 0.000 1.052 366 A HN 0.437 nan 8.150 nan 0.000 0.493 367 F N -0.447 119.623 119.950 0.199 0.000 2.640 367 F HA 0.530 5.058 4.527 0.001 0.000 0.324 367 F C 0.244 176.054 175.800 0.016 0.000 1.077 367 F CA -0.410 57.583 58.000 -0.010 0.000 0.965 367 F CB 2.155 41.057 39.000 -0.163 0.000 1.351 367 F HN 0.679 nan 8.300 nan 0.000 0.487 368 E N 1.541 121.767 120.200 0.043 0.000 2.187 368 E HA 0.652 5.003 4.350 0.001 0.000 0.268 368 E C -1.715 174.950 176.600 0.107 0.000 0.896 368 E CA -0.764 55.707 56.400 0.118 0.000 0.766 368 E CB 1.839 31.585 29.700 0.077 0.000 1.142 368 E HN 0.487 nan 8.360 nan 0.000 0.408 369 V N 0.930 120.904 119.914 0.100 0.000 2.960 369 V HA 1.041 5.161 4.120 0.001 0.000 0.315 369 V C 0.261 176.392 176.094 0.062 0.000 1.087 369 V CA 0.281 62.564 62.300 -0.028 0.000 0.982 369 V CB 1.076 32.771 31.823 -0.213 0.000 1.039 369 V HN 0.984 nan 8.190 nan 0.000 0.437 370 G N 2.354 111.159 108.800 0.007 0.000 2.315 370 G HA2 0.142 4.102 3.960 0.001 0.000 0.296 370 G HA3 0.142 4.102 3.960 0.001 0.000 0.296 370 G C -2.746 172.144 174.900 -0.017 0.000 1.289 370 G CA 0.044 45.151 45.100 0.011 0.000 0.996 370 G HN 0.609 nan 8.290 nan 0.000 0.487 371 P HA -0.038 nan 4.420 nan 0.000 0.215 371 P C 2.269 179.513 177.300 -0.094 0.000 1.157 371 P CA 1.485 64.549 63.100 -0.060 0.000 0.874 371 P CB 0.092 31.721 31.700 -0.117 0.000 0.790 372 L N -0.202 120.955 121.223 -0.109 0.000 1.989 372 L HA -0.145 4.195 4.340 0.001 0.000 0.211 372 L C 2.307 179.065 176.870 -0.187 0.000 1.071 372 L CA 2.284 57.019 54.840 -0.176 0.000 0.749 372 L CB -1.633 40.339 42.059 -0.145 0.000 0.890 372 L HN -0.099 nan 8.230 nan 0.000 0.431 373 A N -1.557 121.247 122.820 -0.028 0.000 1.902 373 A HA -0.198 4.122 4.320 0.001 0.000 0.217 373 A C 2.365 179.912 177.584 -0.062 0.000 1.181 373 A CA 2.086 54.144 52.037 0.035 0.000 0.623 373 A CB -0.983 18.110 19.000 0.156 0.000 0.818 373 A HN 0.556 nan 8.150 nan 0.000 0.443 374 S N -0.386 115.272 115.700 -0.070 0.000 2.356 374 S HA -0.134 4.337 4.470 0.001 0.000 0.223 374 S C 1.881 176.431 174.600 -0.082 0.000 1.032 374 S CA 1.496 59.651 58.200 -0.076 0.000 1.005 374 S CB -0.564 62.617 63.200 -0.031 0.000 0.867 374 S HN 0.338 nan 8.310 nan 0.000 0.449 375 V N 2.078 121.936 119.914 -0.093 0.000 2.407 375 V HA -0.108 4.012 4.120 0.001 0.000 0.248 375 V C 2.148 178.186 176.094 -0.094 0.000 1.055 375 V CA 1.338 63.580 62.300 -0.098 0.000 1.049 375 V CB -0.709 31.030 31.823 -0.140 0.000 0.662 375 V HN 0.399 nan 8.190 nan 0.000 0.455 376 L N -0.697 120.428 121.223 -0.163 0.000 2.093 376 L HA -0.116 4.225 4.340 0.001 0.000 0.208 376 L C 2.444 179.306 176.870 -0.013 0.000 1.085 376 L CA 0.982 55.740 54.840 -0.137 0.000 0.755 376 L CB -0.456 41.386 42.059 -0.361 0.000 0.904 376 L HN 0.204 nan 8.230 nan 0.000 0.435 377 V N 0.014 119.906 119.914 -0.037 0.000 2.270 377 V HA -0.276 3.844 4.120 0.001 0.000 0.245 377 V C 2.755 178.839 176.094 -0.017 0.000 1.043 377 V CA 1.806 64.093 62.300 -0.021 0.000 1.014 377 V CB -0.875 30.915 31.823 -0.055 0.000 0.645 377 V HN 0.470 nan 8.190 nan 0.000 0.447 378 A N -0.737 122.060 122.820 -0.039 0.000 1.883 378 A HA -0.312 4.008 4.320 0.001 0.000 0.217 378 A C 2.196 179.824 177.584 0.073 0.000 1.186 378 A CA 2.421 54.436 52.037 -0.037 0.000 0.624 378 A CB -0.893 18.024 19.000 -0.138 0.000 0.822 378 A HN 0.656 nan 8.150 nan 0.000 0.444 379 Y N 0.537 120.813 120.300 -0.040 0.000 2.145 379 Y HA -0.065 4.485 4.550 0.001 0.000 0.286 379 Y C 2.654 178.543 175.900 -0.018 0.000 1.145 379 Y CA 1.315 59.396 58.100 -0.031 0.000 1.148 379 Y CB -0.622 37.796 38.460 -0.071 0.000 0.981 379 Y HN 0.299 nan 8.280 nan 0.000 0.507 380 A N 0.144 122.932 122.820 -0.053 0.000 1.972 380 A HA -0.171 4.149 4.320 0.001 0.000 0.219 380 A C 2.054 179.582 177.584 -0.095 0.000 1.169 380 A CA 1.781 53.754 52.037 -0.108 0.000 0.635 380 A CB -0.520 18.485 19.000 0.008 0.000 0.810 380 A HN 0.503 nan 8.150 nan 0.000 0.446 381 K N -0.605 119.767 120.400 -0.047 0.000 2.458 381 K HA 0.103 4.423 4.320 0.001 0.000 0.194 381 K C -0.477 176.106 176.600 -0.029 0.000 1.024 381 K CA 0.030 56.302 56.287 -0.025 0.000 1.108 381 K CB 0.057 32.555 32.500 -0.003 0.000 0.846 381 K HN 0.393 nan 8.250 nan 0.000 0.518 382 K N 0.924 121.279 120.400 -0.074 0.000 3.239 382 K HA -0.213 4.107 4.320 0.001 0.000 0.270 382 K C -0.755 175.847 176.600 0.003 0.000 1.049 382 K CA 0.323 56.567 56.287 -0.072 0.000 0.769 382 K CB -1.901 30.553 32.500 -0.077 0.000 1.305 382 K HN 0.416 nan 8.250 nan 0.000 0.469 383 H N 1.092 120.126 119.070 -0.060 0.000 2.864 383 H HA 0.101 4.658 4.556 0.001 0.000 0.281 383 H C 1.267 176.572 175.328 -0.038 0.000 1.093 383 H CA -0.017 55.991 56.048 -0.067 0.000 1.453 383 H CB 0.726 30.423 29.762 -0.109 0.000 1.462 383 H HN 0.160 nan 8.280 nan 0.000 0.480 384 E N 5.231 125.282 120.200 -0.248 0.000 2.086 384 E HA -0.170 4.181 4.350 0.001 0.000 0.200 384 E C -0.801 175.704 176.600 -0.159 0.000 1.012 384 E CA 1.745 58.042 56.400 -0.173 0.000 0.812 384 E CB -0.846 28.768 29.700 -0.142 0.000 0.743 384 E HN 0.686 nan 8.360 nan 0.000 0.453 385 P HA -0.110 nan 4.420 nan 0.000 0.215 385 P C 1.502 178.804 177.300 0.002 0.000 1.157 385 P CA 1.617 64.646 63.100 -0.119 0.000 0.868 385 P CB -0.277 31.367 31.700 -0.094 0.000 0.788 386 T N -0.186 114.425 114.554 0.095 0.000 2.674 386 T HA -0.090 4.261 4.350 0.001 0.000 0.265 386 T C 1.939 176.716 174.700 0.128 0.000 1.039 386 T CA 1.449 63.646 62.100 0.161 0.000 1.150 386 T CB -1.097 67.938 68.868 0.277 0.000 0.864 386 T HN -0.142 nan 8.240 nan 0.000 0.427 387 V N 1.513 121.531 119.914 0.174 0.000 2.287 387 V HA -0.193 3.927 4.120 0.001 0.000 0.248 387 V C 2.502 178.661 176.094 0.108 0.000 1.053 387 V CA 1.630 64.078 62.300 0.246 0.000 1.027 387 V CB -0.499 31.396 31.823 0.121 0.000 0.646 387 V HN 0.454 nan 8.190 nan 0.000 0.447 388 K N -0.100 120.319 120.400 0.032 0.000 2.097 388 K HA -0.131 4.189 4.320 0.001 0.000 0.206 388 K C 2.268 178.854 176.600 -0.022 0.000 1.049 388 K CA 1.463 57.749 56.287 -0.001 0.000 0.933 388 K CB -0.347 32.140 32.500 -0.022 0.000 0.717 388 K HN 0.495 nan 8.250 nan 0.000 0.442 389 A N 0.765 123.566 122.820 -0.030 0.000 1.897 389 A HA -0.081 4.239 4.320 0.001 0.000 0.215 389 A C 2.317 179.828 177.584 -0.122 0.000 1.181 389 A CA 1.045 53.040 52.037 -0.070 0.000 0.620 389 A CB -0.475 18.489 19.000 -0.060 0.000 0.821 389 A HN 0.060 nan 8.150 nan 0.000 0.443 390 V N 0.730 120.552 119.914 -0.154 0.000 2.295 390 V HA -0.238 3.883 4.120 0.001 0.000 0.246 390 V C 2.195 178.158 176.094 -0.218 0.000 1.049 390 V CA 2.382 64.508 62.300 -0.290 0.000 1.024 390 V CB -0.745 30.720 31.823 -0.596 0.000 0.648 390 V HN 0.518 nan 8.190 nan 0.000 0.447 391 D N -0.106 120.222 120.400 -0.120 0.000 2.123 391 D HA -0.189 4.451 4.640 0.001 0.000 0.196 391 D C 1.985 178.234 176.300 -0.085 0.000 0.992 391 D CA 1.524 55.482 54.000 -0.069 0.000 0.833 391 D CB -0.466 40.330 40.800 -0.007 0.000 0.954 391 D HN 0.377 nan 8.370 nan 0.000 0.455 392 L N 0.784 121.954 121.223 -0.089 0.000 1.990 392 L HA -0.204 4.136 4.340 0.001 0.000 0.213 392 L C 2.217 179.019 176.870 -0.113 0.000 1.072 392 L CA 1.592 56.376 54.840 -0.093 0.000 0.755 392 L CB -0.664 41.336 42.059 -0.098 0.000 0.889 392 L HN -0.097 nan 8.230 nan 0.000 0.432 393 V N -0.034 119.795 119.914 -0.141 0.000 2.223 393 V HA -0.320 3.800 4.120 0.001 0.000 0.244 393 V C 2.605 178.611 176.094 -0.146 0.000 1.045 393 V CA 2.266 64.468 62.300 -0.163 0.000 1.000 393 V CB -0.673 31.030 31.823 -0.200 0.000 0.635 393 V HN 0.515 nan 8.190 nan 0.000 0.445 394 L N 0.249 121.384 121.223 -0.147 0.000 2.127 394 L HA -0.214 4.127 4.340 0.001 0.000 0.211 394 L C 2.622 179.437 176.870 -0.092 0.000 1.089 394 L CA 1.901 56.667 54.840 -0.123 0.000 0.757 394 L CB -0.783 41.202 42.059 -0.124 0.000 0.899 394 L HN 0.394 nan 8.230 nan 0.000 0.434 395 K N 0.177 120.524 120.400 -0.088 0.000 2.103 395 K HA -0.119 4.201 4.320 0.001 0.000 0.204 395 K C 1.867 178.421 176.600 -0.077 0.000 1.052 395 K CA 1.725 57.970 56.287 -0.070 0.000 0.945 395 K CB -0.048 32.416 32.500 -0.060 0.000 0.722 395 K HN 0.205 nan 8.250 nan 0.000 0.443 396 T N 1.767 116.265 114.554 -0.093 0.000 2.857 396 T HA 0.029 4.380 4.350 0.001 0.000 0.266 396 T C 1.707 176.344 174.700 -0.105 0.000 1.048 396 T CA 0.881 62.921 62.100 -0.099 0.000 1.139 396 T CB 0.056 68.857 68.868 -0.112 0.000 0.874 396 T HN 0.174 nan 8.240 nan 0.000 0.455 397 L N 0.401 121.560 121.223 -0.108 0.000 2.567 397 L HA 0.315 4.655 4.340 0.001 0.000 0.225 397 L C 1.560 178.381 176.870 -0.083 0.000 1.119 397 L CA -0.039 54.738 54.840 -0.105 0.000 0.871 397 L CB -0.447 41.548 42.059 -0.106 0.000 1.036 397 L HN 0.382 nan 8.230 nan 0.000 0.459 398 G N 1.744 110.499 108.800 -0.074 0.000 2.350 398 G HA2 -0.194 3.767 3.960 0.001 0.000 0.298 398 G HA3 -0.194 3.767 3.960 0.001 0.000 0.298 398 G C -0.038 174.834 174.900 -0.047 0.000 1.037 398 G CA 0.491 45.558 45.100 -0.056 0.000 1.074 398 G HN 0.311 nan 8.290 nan 0.000 0.511 399 V N -2.736 117.147 119.914 -0.050 0.000 3.156 399 V HA 1.072 5.193 4.120 0.001 0.000 0.310 399 V C 0.743 176.814 176.094 -0.039 0.000 1.234 399 V CA -0.194 62.083 62.300 -0.037 0.000 1.065 399 V CB 1.669 33.468 31.823 -0.039 0.000 1.088 399 V HN 1.316 nan 8.190 nan 0.000 0.451 400 G N -0.938 107.849 108.800 -0.022 0.000 2.705 400 G HA2 0.678 4.639 3.960 0.001 0.000 0.299 400 G HA3 0.678 4.639 3.960 0.001 0.000 0.299 400 G C -2.192 172.687 174.900 -0.035 0.000 1.315 400 G CA -1.301 43.791 45.100 -0.013 0.000 1.045 400 G HN 0.616 nan 8.290 nan 0.000 0.517 401 P HA -0.013 nan 4.420 nan 0.000 0.226 401 P C 1.319 178.602 177.300 -0.028 0.000 1.153 401 P CA 1.055 64.109 63.100 -0.077 0.000 0.777 401 P CB 0.183 31.909 31.700 0.043 0.000 0.794 402 E N 0.037 120.307 120.200 0.117 0.000 2.418 402 E HA -0.045 4.306 4.350 0.001 0.000 0.197 402 E C 1.706 178.427 176.600 0.202 0.000 1.026 402 E CA 0.777 57.351 56.400 0.289 0.000 0.862 402 E CB -0.661 29.169 29.700 0.216 0.000 0.799 402 E HN 0.095 nan 8.360 nan 0.000 0.518 403 A N 1.093 123.938 122.820 0.042 0.000 2.067 403 A HA 0.077 4.397 4.320 0.001 0.000 0.217 403 A C 2.103 179.636 177.584 -0.084 0.000 1.156 403 A CA 0.412 52.450 52.037 0.001 0.000 0.683 403 A CB -0.389 18.592 19.000 -0.032 0.000 0.808 403 A HN 0.317 nan 8.150 nan 0.000 0.455 404 L N -1.624 119.452 121.223 -0.246 0.000 2.201 404 L HA -0.055 4.285 4.340 0.001 0.000 0.212 404 L C 0.495 177.085 176.870 -0.468 0.000 1.105 404 L CA 0.465 55.036 54.840 -0.448 0.000 0.775 404 L CB -0.425 41.217 42.059 -0.695 0.000 0.913 404 L HN 0.350 nan 8.230 nan 0.000 0.440 405 F N 0.848 120.776 119.950 -0.037 0.000 2.668 405 F HA 0.106 4.634 4.527 0.001 0.000 0.365 405 F C 0.944 176.794 175.800 0.084 0.000 1.165 405 F CA -0.250 57.775 58.000 0.043 0.000 1.344 405 F CB -0.821 38.231 39.000 0.086 0.000 1.658 405 F HN 0.033 nan 8.300 nan 0.000 0.620 406 S N -2.718 113.074 115.700 0.153 0.000 2.727 406 S HA 0.310 4.780 4.470 0.001 0.000 0.278 406 S C 0.614 175.306 174.600 0.153 0.000 1.186 406 S CA -0.581 57.722 58.200 0.170 0.000 0.836 406 S CB 1.239 64.526 63.200 0.146 0.000 1.186 406 S HN -0.061 nan 8.310 nan 0.000 0.499 407 T N 1.086 115.785 114.554 0.242 0.000 2.904 407 T HA 0.011 4.361 4.350 0.001 0.000 0.267 407 T C 1.654 176.474 174.700 0.199 0.000 1.059 407 T CA 1.384 63.645 62.100 0.269 0.000 1.137 407 T CB -0.529 68.640 68.868 0.501 0.000 0.879 407 T HN 0.435 nan 8.240 nan 0.000 0.467 408 L N 1.444 122.786 121.223 0.199 0.000 2.027 408 L HA 0.151 4.491 4.340 0.001 0.000 0.206 408 L C 2.604 179.454 176.870 -0.034 0.000 1.074 408 L CA 1.772 56.647 54.840 0.057 0.000 0.745 408 L CB -1.139 40.981 42.059 0.101 0.000 0.898 408 L HN 0.290 nan 8.230 nan 0.000 0.433 409 G N -1.189 107.588 108.800 -0.037 0.000 2.422 409 G HA2 -0.318 3.642 3.960 0.001 0.000 0.218 409 G HA3 -0.318 3.642 3.960 0.001 0.000 0.218 409 G C 1.813 176.624 174.900 -0.148 0.000 1.146 409 G CA 0.764 45.785 45.100 -0.131 0.000 0.769 409 G HN 0.385 nan 8.290 nan 0.000 0.547 410 R N -0.246 120.197 120.500 -0.095 0.000 2.148 410 R HA -0.037 4.303 4.340 0.001 0.000 0.227 410 R C 2.330 178.574 176.300 -0.093 0.000 1.103 410 R CA 1.723 57.750 56.100 -0.121 0.000 0.983 410 R CB -0.184 30.019 30.300 -0.162 0.000 0.874 410 R HN 0.338 nan 8.270 nan 0.000 0.451 411 T N -0.267 114.264 114.554 -0.039 0.000 2.976 411 T HA 0.110 4.460 4.350 0.001 0.000 0.257 411 T C 1.719 176.355 174.700 -0.108 0.000 1.051 411 T CA 0.835 62.938 62.100 0.005 0.000 1.141 411 T CB 0.057 68.950 68.868 0.041 0.000 0.881 411 T HN 0.363 nan 8.240 nan 0.000 0.461 412 A N 1.631 124.349 122.820 -0.170 0.000 1.897 412 A HA 0.306 4.626 4.320 0.001 0.000 0.215 412 A C 2.623 180.062 177.584 -0.241 0.000 1.181 412 A CA 1.529 53.423 52.037 -0.238 0.000 0.620 412 A CB -1.057 17.803 19.000 -0.233 0.000 0.821 412 A HN 0.465 nan 8.150 nan 0.000 0.443 413 A N 0.033 122.722 122.820 -0.219 0.000 1.978 413 A HA -0.219 4.101 4.320 0.001 0.000 0.220 413 A C 2.211 179.670 177.584 -0.208 0.000 1.170 413 A CA 1.883 53.792 52.037 -0.213 0.000 0.636 413 A CB -0.506 18.366 19.000 -0.214 0.000 0.810 413 A HN 0.596 nan 8.150 nan 0.000 0.448 414 R N -0.592 119.771 120.500 -0.228 0.000 2.148 414 R HA -0.049 4.291 4.340 0.001 0.000 0.227 414 R C 2.115 178.206 176.300 -0.349 0.000 1.103 414 R CA 1.387 57.269 56.100 -0.364 0.000 0.983 414 R CB -0.564 29.570 30.300 -0.276 0.000 0.874 414 R HN 0.421 nan 8.270 nan 0.000 0.451 415 G N 0.742 109.366 108.800 -0.293 0.000 2.403 415 G HA2 -0.149 3.812 3.960 0.001 0.000 0.216 415 G HA3 -0.149 3.812 3.960 0.001 0.000 0.216 415 G C 1.396 176.124 174.900 -0.287 0.000 1.154 415 G CA 0.542 45.369 45.100 -0.454 0.000 0.784 415 G HN 0.239 nan 8.290 nan 0.000 0.538 416 I N 0.420 120.858 120.570 -0.219 0.000 2.202 416 I HA -0.174 3.997 4.170 0.001 0.000 0.242 416 I C 2.840 178.951 176.117 -0.009 0.000 1.091 416 I CA 1.566 62.791 61.300 -0.126 0.000 1.368 416 I CB -0.239 37.676 38.000 -0.142 0.000 1.058 416 I HN 0.254 nan 8.210 nan 0.000 0.410 417 Q N 0.252 120.057 119.800 0.009 0.000 2.170 417 Q HA -0.279 4.062 4.340 0.001 0.000 0.203 417 Q C 2.422 178.648 176.000 0.377 0.000 0.976 417 Q CA 2.006 57.924 55.803 0.191 0.000 0.858 417 Q CB -0.301 28.540 28.738 0.172 0.000 0.907 417 Q HN 0.639 nan 8.270 nan 0.000 0.433 418 C N -0.273 119.213 119.300 0.311 0.000 2.446 418 C HA 0.013 4.474 4.460 0.001 0.000 0.279 418 C C 2.345 177.534 174.990 0.332 0.000 1.366 418 C CA 0.586 59.922 59.018 0.531 0.000 1.763 418 C CB -0.923 27.164 27.740 0.579 0.000 1.929 418 C HN 0.738 nan 8.230 nan 0.000 0.509 419 L N 1.468 122.798 121.223 0.179 0.000 2.249 419 L HA 0.100 4.440 4.340 0.001 0.000 0.207 419 L C 2.714 179.658 176.870 0.122 0.000 1.090 419 L CA 2.589 57.497 54.840 0.114 0.000 0.802 419 L CB -0.844 41.220 42.059 0.009 0.000 0.947 419 L HN 0.539 nan 8.230 nan 0.000 0.453 420 T N -2.895 111.758 114.554 0.166 0.000 2.777 420 T HA -0.050 4.301 4.350 0.001 0.000 0.266 420 T C 1.921 176.747 174.700 0.210 0.000 1.040 420 T CA 0.960 63.193 62.100 0.221 0.000 1.141 420 T CB -0.788 68.244 68.868 0.274 0.000 0.868 420 T HN 0.305 nan 8.240 nan 0.000 0.444 421 A N 2.245 125.198 122.820 0.220 0.000 1.858 421 A HA 0.293 4.613 4.320 0.001 0.000 0.216 421 A C 2.896 180.451 177.584 -0.049 0.000 1.190 421 A CA 2.139 54.205 52.037 0.047 0.000 0.617 421 A CB -1.563 17.554 19.000 0.195 0.000 0.827 421 A HN 0.808 nan 8.150 nan 0.000 0.443 422 A N -0.887 122.001 122.820 0.114 0.000 1.948 422 A HA -0.259 4.062 4.320 0.001 0.000 0.220 422 A C 2.115 179.752 177.584 0.087 0.000 1.177 422 A CA 1.938 54.075 52.037 0.167 0.000 0.636 422 A CB -0.572 18.538 19.000 0.184 0.000 0.815 422 A HN 0.682 nan 8.150 nan 0.000 0.449 423 Q N -1.466 118.327 119.800 -0.013 0.000 2.083 423 Q HA -0.146 4.194 4.340 0.001 0.000 0.198 423 Q C 2.020 177.853 176.000 -0.277 0.000 0.969 423 Q CA 1.410 57.172 55.803 -0.068 0.000 0.838 423 Q CB -0.084 28.631 28.738 -0.037 0.000 0.900 423 Q HN 0.631 nan 8.270 nan 0.000 0.436 424 E N 0.008 119.870 120.200 -0.564 0.000 2.347 424 E HA -0.078 4.272 4.350 0.001 0.000 0.196 424 E C 1.609 177.326 176.600 -1.472 0.000 1.008 424 E CA 0.287 55.979 56.400 -1.179 0.000 0.852 424 E CB 0.108 28.658 29.700 -1.917 0.000 0.783 424 E HN 0.089 nan 8.360 nan 0.000 0.505 425 V N 0.484 119.847 119.914 -0.919 0.000 2.469 425 V HA -0.253 3.867 4.120 0.001 0.000 0.251 425 V C 2.207 177.963 176.094 -0.563 0.000 1.064 425 V CA 2.006 63.928 62.300 -0.630 0.000 1.066 425 V CB -0.431 31.182 31.823 -0.351 0.000 0.667 425 V HN 0.271 nan 8.190 nan 0.000 0.461 426 E N 0.061 119.989 120.200 -0.454 0.000 2.077 426 E HA -0.178 4.172 4.350 0.001 0.000 0.193 426 E C 2.101 178.544 176.600 -0.262 0.000 0.989 426 E CA 1.480 57.739 56.400 -0.235 0.000 0.800 426 E CB -0.302 29.369 29.700 -0.049 0.000 0.746 426 E HN 0.358 nan 8.360 nan 0.000 0.452 427 V N -0.101 119.555 119.914 -0.429 0.000 2.261 427 V HA -0.251 3.870 4.120 0.001 0.000 0.246 427 V C 1.979 177.936 176.094 -0.229 0.000 1.047 427 V CA 1.934 64.006 62.300 -0.380 0.000 1.015 427 V CB -0.636 30.861 31.823 -0.543 0.000 0.642 427 V HN 0.463 nan 8.190 nan 0.000 0.446 428 W N -0.838 120.338 121.300 -0.207 0.000 2.374 428 W HA -0.098 4.562 4.660 0.001 0.000 0.288 428 W C 2.230 178.625 176.519 -0.206 0.000 1.218 428 W CA 0.715 57.935 57.345 -0.207 0.000 1.245 428 W CB -1.335 27.970 29.460 -0.257 0.000 1.126 428 W HN 0.264 nan 8.180 nan 0.000 0.545 429 L N 1.143 122.358 121.223 -0.013 0.000 1.994 429 L HA -0.197 4.143 4.340 0.001 0.000 0.208 429 L C 1.929 178.780 176.870 -0.030 0.000 1.071 429 L CA 2.198 56.999 54.840 -0.066 0.000 0.745 429 L CB -1.163 40.849 42.059 -0.078 0.000 0.892 429 L HN -0.253 nan 8.230 nan 0.000 0.431 430 D N -0.316 120.067 120.400 -0.029 0.000 2.106 430 D HA -0.232 4.408 4.640 0.001 0.000 0.191 430 D C 2.252 178.549 176.300 -0.005 0.000 0.997 430 D CA 1.524 55.515 54.000 -0.014 0.000 0.834 430 D CB -0.053 40.729 40.800 -0.029 0.000 0.956 430 D HN 0.286 nan 8.370 nan 0.000 0.448 431 K N -0.264 120.136 120.400 0.001 0.000 2.002 431 K HA -0.126 4.194 4.320 0.001 0.000 0.209 431 K C 2.128 178.729 176.600 0.001 0.000 1.048 431 K CA 0.505 56.799 56.287 0.011 0.000 0.930 431 K CB -0.353 32.169 32.500 0.036 0.000 0.714 431 K HN 0.008 nan 8.250 nan 0.000 0.438 432 L N 1.910 123.124 121.223 -0.016 0.000 2.021 432 L HA -0.263 4.078 4.340 0.001 0.000 0.215 432 L C 2.169 179.032 176.870 -0.011 0.000 1.074 432 L CA 1.910 56.726 54.840 -0.040 0.000 0.760 432 L CB -0.359 41.635 42.059 -0.108 0.000 0.889 432 L HN 0.244 nan 8.230 nan 0.000 0.433 433 E N -0.996 119.203 120.200 -0.002 0.000 2.110 433 E HA -0.224 4.127 4.350 0.001 0.000 0.193 433 E C 2.041 178.651 176.600 0.017 0.000 0.988 433 E CA 1.039 57.448 56.400 0.015 0.000 0.804 433 E CB -0.110 29.603 29.700 0.021 0.000 0.745 433 E HN 0.668 nan 8.360 nan 0.000 0.458 434 A N 1.069 123.897 122.820 0.013 0.000 1.929 434 A HA -0.148 4.172 4.320 0.001 0.000 0.216 434 A C 1.842 179.435 177.584 0.016 0.000 1.176 434 A CA 1.170 53.215 52.037 0.014 0.000 0.628 434 A CB -0.356 18.651 19.000 0.011 0.000 0.816 434 A HN 0.183 nan 8.150 nan 0.000 0.444 435 N N 0.107 118.815 118.700 0.014 0.000 2.142 435 N HA -0.099 4.641 4.740 0.001 0.000 0.186 435 N C 1.580 177.104 175.510 0.024 0.000 1.023 435 N CA 1.491 54.551 53.050 0.017 0.000 0.852 435 N CB -0.433 38.062 38.487 0.013 0.000 0.998 435 N HN 0.230 nan 8.380 nan 0.000 0.424 436 V N 0.907 120.837 119.914 0.026 0.000 2.548 436 V HA -0.137 3.984 4.120 0.001 0.000 0.249 436 V C 2.062 178.176 176.094 0.032 0.000 1.055 436 V CA 1.308 63.629 62.300 0.036 0.000 1.065 436 V CB -0.292 31.557 31.823 0.043 0.000 0.681 436 V HN 0.236 nan 8.190 nan 0.000 0.462 437 K N 0.529 120.945 120.400 0.027 0.000 2.097 437 K HA -0.063 4.258 4.320 0.001 0.000 0.206 437 K C 2.008 178.621 176.600 0.021 0.000 1.049 437 K CA 1.434 57.735 56.287 0.024 0.000 0.933 437 K CB -0.384 32.129 32.500 0.021 0.000 0.717 437 K HN 0.462 nan 8.250 nan 0.000 0.442 438 A N -0.128 122.705 122.820 0.021 0.000 2.239 438 A HA 0.147 4.467 4.320 0.001 0.000 0.209 438 A C 1.451 179.048 177.584 0.021 0.000 1.171 438 A CA 0.997 53.046 52.037 0.019 0.000 0.768 438 A CB -0.614 18.396 19.000 0.018 0.000 0.790 438 A HN 0.452 nan 8.150 nan 0.000 0.478 439 G N -0.462 108.354 108.800 0.025 0.000 2.205 439 G HA2 -0.289 3.672 3.960 0.001 0.000 0.261 439 G HA3 -0.289 3.672 3.960 0.001 0.000 0.261 439 G C 0.235 175.156 174.900 0.034 0.000 0.980 439 G CA 0.395 45.512 45.100 0.028 0.000 0.632 439 G HN 0.615 nan 8.290 nan 0.000 0.533 440 K N 1.531 121.952 120.400 0.034 0.000 2.228 440 K HA 0.328 4.649 4.320 0.001 0.000 0.284 440 K C 0.096 176.728 176.600 0.053 0.000 1.088 440 K CA 0.432 56.743 56.287 0.040 0.000 0.941 440 K CB 0.515 33.034 32.500 0.031 0.000 1.158 440 K HN 0.454 nan 8.250 nan 0.000 0.438 441 D N 1.146 121.590 120.400 0.074 0.000 2.538 441 D HA 0.041 4.681 4.640 0.001 0.000 0.231 441 D C -0.614 175.790 176.300 0.173 0.000 1.229 441 D CA -0.361 53.708 54.000 0.115 0.000 0.828 441 D CB 0.229 41.098 40.800 0.115 0.000 1.035 441 D HN 0.147 nan 8.370 nan 0.000 0.495 442 D N 0.602 121.087 120.400 0.142 0.000 2.302 442 D HA 0.287 4.928 4.640 0.001 0.000 0.248 442 D C 1.090 177.475 176.300 0.141 0.000 1.094 442 D CA -0.318 53.794 54.000 0.186 0.000 0.897 442 D CB 2.183 43.061 40.800 0.129 0.000 1.200 442 D HN 0.078 nan 8.370 nan 0.000 0.429 443 L N 0.907 122.226 121.223 0.159 0.000 2.993 443 L HA 0.229 4.570 4.340 0.001 0.000 0.264 443 L C -0.523 176.426 176.870 0.131 0.000 1.154 443 L CA -0.224 54.635 54.840 0.032 0.000 0.972 443 L CB 0.524 42.442 42.059 -0.234 0.000 1.373 443 L HN 0.357 nan 8.230 nan 0.000 0.564 444 Y N 0.344 120.680 120.300 0.060 0.000 2.492 444 Y HA 0.502 5.052 4.550 0.001 0.000 0.346 444 Y C -0.788 175.167 175.900 0.093 0.000 0.997 444 Y CA -0.697 57.446 58.100 0.073 0.000 1.025 444 Y CB 2.022 40.555 38.460 0.122 0.000 1.263 444 Y HN -0.236 nan 8.280 nan 0.000 0.454 445 T N 5.201 119.440 114.554 -0.525 0.000 2.824 445 T HA 0.264 4.614 4.350 0.001 0.000 0.282 445 T C -1.150 173.292 174.700 -0.430 0.000 0.993 445 T CA -0.877 61.026 62.100 -0.327 0.000 0.967 445 T CB 0.965 69.740 68.868 -0.155 0.000 0.960 445 T HN 0.484 nan 8.240 nan 0.000 0.441 446 D N 2.928 123.241 120.400 -0.146 0.000 2.382 446 D HA 0.230 4.870 4.640 0.001 0.000 0.240 446 D C -0.046 176.282 176.300 0.048 0.000 1.146 446 D CA 0.218 54.191 54.000 -0.045 0.000 0.897 446 D CB 0.811 41.611 40.800 -0.001 0.000 1.197 446 D HN 0.585 nan 8.370 nan 0.000 0.432 447 W N -0.366 120.862 121.300 -0.121 0.000 3.005 447 W HA 0.429 5.090 4.660 0.001 0.000 0.343 447 W C -1.350 175.093 176.519 -0.126 0.000 1.243 447 W CA -0.738 56.529 57.345 -0.130 0.000 1.186 447 W CB 1.101 30.458 29.460 -0.172 0.000 1.453 447 W HN 0.126 nan 8.180 nan 0.000 0.575 448 Q N 0.543 120.399 119.800 0.092 0.000 2.456 448 Q HA 0.326 4.667 4.340 0.001 0.000 0.284 448 Q C -1.694 174.396 176.000 0.150 0.000 1.061 448 Q CA -0.954 54.795 55.803 -0.090 0.000 0.799 448 Q CB 3.246 31.952 28.738 -0.053 0.000 1.445 448 Q HN 0.467 nan 8.270 nan 0.000 0.411 449 Y N 1.284 121.704 120.300 0.199 0.000 2.319 449 Y HA 0.265 4.816 4.550 0.001 0.000 0.328 449 Y C -1.534 174.443 175.900 0.129 0.000 1.133 449 Y CA -1.404 56.838 58.100 0.236 0.000 1.265 449 Y CB 0.064 38.638 38.460 0.190 0.000 1.218 449 Y HN 0.326 nan 8.280 nan 0.000 0.508 450 P HA 0.086 nan 4.420 nan 0.000 0.273 450 P C 0.721 178.106 177.300 0.142 0.000 1.250 450 P CA -0.105 63.094 63.100 0.164 0.000 0.793 450 P CB 0.671 32.444 31.700 0.122 0.000 1.011 451 T N -1.032 113.571 114.554 0.082 0.000 2.652 451 T HA -0.121 4.229 4.350 0.001 0.000 0.267 451 T C 0.427 175.142 174.700 0.025 0.000 1.039 451 T CA 1.475 63.603 62.100 0.046 0.000 1.153 451 T CB -0.244 68.642 68.868 0.029 0.000 0.863 451 T HN 0.486 nan 8.240 nan 0.000 0.428 452 E N 0.322 120.537 120.200 0.024 0.000 2.275 452 E HA 0.499 4.849 4.350 0.001 0.000 0.270 452 E C -1.230 175.379 176.600 0.015 0.000 0.882 452 E CA -0.474 55.930 56.400 0.007 0.000 0.758 452 E CB 2.113 31.809 29.700 -0.007 0.000 1.195 452 E HN 0.352 nan 8.360 nan 0.000 0.419 453 S N 2.147 117.855 115.700 0.013 0.000 2.615 453 S HA 0.516 4.987 4.470 0.001 0.000 0.269 453 S C -1.327 173.261 174.600 -0.021 0.000 1.161 453 S CA -1.077 57.128 58.200 0.008 0.000 0.817 453 S CB 1.928 65.160 63.200 0.054 0.000 1.131 453 S HN 0.501 nan 8.310 nan 0.000 0.467 454 Q N 0.058 119.826 119.800 -0.052 0.000 2.389 454 Q HA 0.792 5.132 4.340 0.001 0.000 0.277 454 Q C -0.670 175.346 176.000 0.027 0.000 1.082 454 Q CA -1.210 54.541 55.803 -0.087 0.000 0.810 454 Q CB 1.936 30.432 28.738 -0.404 0.000 1.374 454 Q HN 1.216 nan 8.270 nan 0.000 0.422 455 G N 0.352 109.252 108.800 0.168 0.000 2.704 455 G HA2 0.563 4.524 3.960 0.001 0.000 0.293 455 G HA3 0.563 4.524 3.960 0.001 0.000 0.293 455 G C -1.930 172.946 174.900 -0.041 0.000 1.421 455 G CA -0.486 44.653 45.100 0.065 0.000 0.870 455 G HN 0.663 nan 8.290 nan 0.000 0.492 456 V N -0.113 119.615 119.914 -0.310 0.000 2.789 456 V HA 0.925 5.045 4.120 0.001 0.000 0.311 456 V C 0.002 175.570 176.094 -0.878 0.000 1.073 456 V CA 0.058 61.847 62.300 -0.851 0.000 0.921 456 V CB 2.036 32.967 31.823 -1.487 0.000 1.009 456 V HN 1.445 nan 8.190 nan 0.000 0.426 457 G N 5.030 113.256 108.800 -0.956 0.000 2.487 457 G HA2 0.653 4.614 3.960 0.001 0.000 0.314 457 G HA3 0.653 4.614 3.960 0.001 0.000 0.314 457 G C -1.468 172.916 174.900 -0.859 0.000 1.267 457 G CA -0.333 44.332 45.100 -0.725 0.000 0.937 457 G HN 0.476 nan 8.290 nan 0.000 0.481 458 F N 2.172 121.930 119.950 -0.320 0.000 2.426 458 F HA 0.557 5.084 4.527 0.001 0.000 0.348 458 F C 0.148 175.789 175.800 -0.266 0.000 1.124 458 F CA -0.837 57.011 58.000 -0.253 0.000 1.008 458 F CB 2.340 41.239 39.000 -0.169 0.000 1.139 458 F HN 0.193 nan 8.300 nan 0.000 0.452 459 V N 3.342 123.206 119.914 -0.084 0.000 2.735 459 V HA 0.356 4.476 4.120 0.001 0.000 0.310 459 V C -0.480 175.533 176.094 -0.134 0.000 1.061 459 V CA -1.096 61.099 62.300 -0.176 0.000 0.913 459 V CB 2.256 33.910 31.823 -0.282 0.000 1.005 459 V HN 0.694 nan 8.190 nan 0.000 0.428 460 N N 2.747 121.360 118.700 -0.146 0.000 2.699 460 N HA 0.465 5.205 4.740 0.001 0.000 0.232 460 N C -0.055 175.444 175.510 -0.017 0.000 1.027 460 N CA -0.149 52.844 53.050 -0.094 0.000 0.920 460 N CB 1.403 39.833 38.487 -0.095 0.000 1.148 460 N HN 0.884 nan 8.380 nan 0.000 0.509 461 A N 3.780 126.563 122.820 -0.062 0.000 2.327 461 A HA 0.296 4.617 4.320 0.001 0.000 0.255 461 A C -1.272 176.206 177.584 -0.177 0.000 1.099 461 A CA -0.956 51.040 52.037 -0.069 0.000 0.801 461 A CB -0.040 18.904 19.000 -0.094 0.000 1.062 461 A HN 0.443 nan 8.150 nan 0.000 0.496 462 P HA -0.146 nan 4.420 nan 0.000 0.218 462 P C 0.796 178.011 177.300 -0.143 0.000 1.146 462 P CA 1.450 64.258 63.100 -0.488 0.000 0.820 462 P CB 0.064 31.488 31.700 -0.459 0.000 0.778 463 R N -1.596 118.868 120.500 -0.060 0.000 2.359 463 R HA 0.432 4.773 4.340 0.001 0.000 0.231 463 R C 1.036 177.354 176.300 0.030 0.000 0.913 463 R CA 0.352 56.460 56.100 0.014 0.000 1.075 463 R CB 0.262 30.600 30.300 0.062 0.000 1.087 463 R HN 0.189 nan 8.270 nan 0.000 0.515 464 G N 0.770 109.561 108.800 -0.016 0.000 2.306 464 G HA2 -0.188 3.772 3.960 0.001 0.000 0.262 464 G HA3 -0.188 3.772 3.960 0.001 0.000 0.262 464 G C -0.933 173.932 174.900 -0.057 0.000 1.263 464 G CA -0.850 44.227 45.100 -0.038 0.000 1.088 464 G HN 0.031 nan 8.290 nan 0.000 0.489 465 M N 0.994 120.523 119.600 -0.118 0.000 2.435 465 M HA 0.424 4.904 4.480 0.001 0.000 0.338 465 M C -0.581 175.759 176.300 0.066 0.000 1.628 465 M CA -0.188 55.037 55.300 -0.124 0.000 1.215 465 M CB -0.155 32.233 32.600 -0.354 0.000 1.905 465 M HN 0.655 nan 8.290 nan 0.000 0.457 466 L N 6.423 127.678 121.223 0.053 0.000 2.329 466 L HA 0.629 4.969 4.340 0.001 0.000 0.279 466 L C -0.832 176.099 176.870 0.102 0.000 1.014 466 L CA 0.077 54.977 54.840 0.100 0.000 0.814 466 L CB 1.928 43.946 42.059 -0.067 0.000 1.257 466 L HN 0.694 nan 8.230 nan 0.000 0.424 467 S N 2.409 118.227 115.700 0.196 0.000 2.614 467 S HA 0.562 5.032 4.470 0.001 0.000 0.275 467 S C -1.035 173.637 174.600 0.119 0.000 1.161 467 S CA -0.721 57.465 58.200 -0.024 0.000 0.969 467 S CB 0.697 63.941 63.200 0.073 0.000 1.059 467 S HN 0.770 nan 8.310 nan 0.000 0.482 468 H N 1.335 120.178 119.070 -0.377 0.000 2.476 468 H HA 0.410 4.966 4.556 0.001 0.000 0.328 468 H C -1.382 173.589 175.328 -0.595 0.000 1.073 468 H CA -0.641 55.264 56.048 -0.238 0.000 1.229 468 H CB 1.027 30.756 29.762 -0.056 0.000 1.432 468 H HN 0.595 nan 8.280 nan 0.000 0.477 469 W N 4.576 125.587 121.300 -0.482 0.000 2.532 469 W HA 0.496 5.156 4.660 0.001 0.000 0.321 469 W C -0.426 175.717 176.519 -0.627 0.000 1.037 469 W CA -0.568 56.461 57.345 -0.527 0.000 1.220 469 W CB 1.007 30.138 29.460 -0.548 0.000 1.361 469 W HN 0.338 nan 8.180 nan 0.000 0.468 470 I N 2.893 123.347 120.570 -0.193 0.000 2.689 470 I HA 0.699 4.869 4.170 0.001 0.000 0.299 470 I C -1.338 174.839 176.117 0.100 0.000 1.059 470 I CA -1.272 59.907 61.300 -0.202 0.000 1.055 470 I CB 1.926 39.749 38.000 -0.294 0.000 1.243 470 I HN 0.106 nan 8.210 nan 0.000 0.425 471 V N 6.175 126.133 119.914 0.073 0.000 2.447 471 V HA 0.345 4.465 4.120 0.001 0.000 0.292 471 V C -0.770 175.345 176.094 0.035 0.000 1.021 471 V CA -0.529 61.799 62.300 0.048 0.000 0.850 471 V CB 1.500 33.350 31.823 0.046 0.000 1.005 471 V HN 0.792 nan 8.190 nan 0.000 0.426 472 Q N 4.269 124.081 119.800 0.022 0.000 2.348 472 Q HA 0.851 5.191 4.340 0.001 0.000 0.271 472 Q C -0.739 175.247 176.000 -0.023 0.000 1.067 472 Q CA -0.799 55.005 55.803 0.001 0.000 0.839 472 Q CB 2.425 31.171 28.738 0.013 0.000 1.354 472 Q HN 0.449 nan 8.270 nan 0.000 0.447 473 R N 0.957 121.425 120.500 -0.054 0.000 2.531 473 R HA 0.484 4.825 4.340 0.001 0.000 0.293 473 R C -0.272 175.974 176.300 -0.090 0.000 1.124 473 R CA 0.150 56.219 56.100 -0.052 0.000 0.945 473 R CB 0.834 31.113 30.300 -0.034 0.000 1.195 473 R HN 1.234 nan 8.270 nan 0.000 0.433 474 G N 1.755 110.493 108.800 -0.104 0.000 2.147 474 G HA2 -0.236 3.725 3.960 0.001 0.000 0.244 474 G HA3 -0.236 3.725 3.960 0.001 0.000 0.244 474 G C 0.780 175.520 174.900 -0.267 0.000 1.005 474 G CA 0.649 45.675 45.100 -0.124 0.000 0.713 474 G HN 1.613 nan 8.290 nan 0.000 0.515 475 G N -1.738 106.720 108.800 -0.570 0.000 2.176 475 G HA2 -0.072 3.888 3.960 0.001 0.000 0.252 475 G HA3 -0.072 3.888 3.960 0.001 0.000 0.252 475 G C 0.057 174.698 174.900 -0.432 0.000 1.024 475 G CA 1.200 45.636 45.100 -1.107 0.000 0.755 475 G HN 1.176 nan 8.290 nan 0.000 0.507 476 K N -0.344 119.908 120.400 -0.247 0.000 2.427 476 K HA 0.671 4.992 4.320 0.001 0.000 0.252 476 K C 0.378 176.944 176.600 -0.058 0.000 0.931 476 K CA -0.939 55.284 56.287 -0.106 0.000 0.793 476 K CB 1.366 33.823 32.500 -0.072 0.000 1.211 476 K HN 0.181 nan 8.250 nan 0.000 0.426 477 I N 3.470 124.035 120.570 -0.009 0.000 2.471 477 I HA 0.023 4.193 4.170 0.001 0.000 0.286 477 I C 1.134 177.266 176.117 0.026 0.000 1.079 477 I CA 0.101 61.427 61.300 0.044 0.000 1.398 477 I CB 0.840 38.893 38.000 0.089 0.000 1.403 477 I HN 0.529 nan 8.210 nan 0.000 0.530 478 E N 3.764 123.983 120.200 0.031 0.000 2.162 478 E HA 0.106 4.456 4.350 0.001 0.000 0.193 478 E C 0.013 176.636 176.600 0.037 0.000 0.953 478 E CA 0.691 57.102 56.400 0.019 0.000 0.849 478 E CB 0.189 29.894 29.700 0.008 0.000 0.810 478 E HN 0.512 nan 8.360 nan 0.000 0.470 479 N N -0.729 118.011 118.700 0.066 0.000 2.371 479 N HA 0.229 4.969 4.740 0.001 0.000 0.280 479 N C -2.097 173.494 175.510 0.134 0.000 1.084 479 N CA -0.478 52.622 53.050 0.084 0.000 0.892 479 N CB 1.216 39.739 38.487 0.059 0.000 1.653 479 N HN -0.144 nan 8.380 nan 0.000 0.480 480 F N 2.476 122.439 119.950 0.021 0.000 2.745 480 F HA 0.416 4.943 4.527 0.001 0.000 0.343 480 F C -0.981 174.812 175.800 -0.012 0.000 1.196 480 F CA -0.397 57.609 58.000 0.011 0.000 1.021 480 F CB 1.101 40.081 39.000 -0.034 0.000 1.297 480 F HN 0.236 nan 8.300 nan 0.000 0.486 481 Q N 6.582 126.437 119.800 0.092 0.000 2.333 481 Q HA 0.585 4.926 4.340 0.001 0.000 0.267 481 Q C -1.045 175.017 176.000 0.103 0.000 1.012 481 Q CA -0.739 55.108 55.803 0.072 0.000 0.824 481 Q CB 3.035 31.728 28.738 -0.075 0.000 1.290 481 Q HN 0.658 nan 8.270 nan 0.000 0.449 482 L N 0.733 121.966 121.223 0.015 0.000 2.307 482 L HA 0.714 5.054 4.340 0.001 0.000 0.284 482 L C -0.247 176.659 176.870 0.061 0.000 1.023 482 L CA -1.241 53.546 54.840 -0.089 0.000 0.810 482 L CB 1.405 43.152 42.059 -0.520 0.000 1.231 482 L HN 0.137 nan 8.230 nan 0.000 0.423 483 V N 3.820 123.882 119.914 0.246 0.000 2.380 483 V HA 0.359 4.480 4.120 0.001 0.000 0.286 483 V C 0.169 176.486 176.094 0.372 0.000 1.015 483 V CA -0.532 61.933 62.300 0.275 0.000 0.834 483 V CB 1.883 33.860 31.823 0.257 0.000 1.009 483 V HN 0.547 nan 8.190 nan 0.000 0.428 484 V N 6.898 127.032 119.914 0.368 0.000 2.716 484 V HA 0.367 4.487 4.120 0.001 0.000 0.304 484 V C -1.022 175.337 176.094 0.442 0.000 1.053 484 V CA -1.571 60.963 62.300 0.390 0.000 0.984 484 V CB 1.853 33.925 31.823 0.415 0.000 1.021 484 V HN 0.578 nan 8.190 nan 0.000 0.467 485 P HA -0.135 nan 4.420 nan 0.000 0.215 485 P C 1.494 179.010 177.300 0.360 0.000 1.157 485 P CA 1.499 64.821 63.100 0.370 0.000 0.874 485 P CB 0.188 32.002 31.700 0.189 0.000 0.790 486 S N -0.820 115.047 115.700 0.278 0.000 2.507 486 S HA -0.066 4.404 4.470 0.001 0.000 0.235 486 S C 1.765 176.493 174.600 0.213 0.000 0.988 486 S CA 1.525 59.863 58.200 0.230 0.000 0.944 486 S CB -1.095 62.223 63.200 0.197 0.000 0.762 486 S HN 0.353 nan 8.310 nan 0.000 0.526 487 T N 0.394 115.087 114.554 0.232 0.000 2.857 487 T HA -0.053 4.298 4.350 0.001 0.000 0.266 487 T C 1.291 176.030 174.700 0.066 0.000 1.048 487 T CA 0.728 62.898 62.100 0.118 0.000 1.139 487 T CB -0.251 68.671 68.868 0.089 0.000 0.874 487 T HN 0.517 nan 8.240 nan 0.000 0.455 488 W N 2.300 123.672 121.300 0.119 0.000 2.352 488 W HA -0.033 4.628 4.660 0.001 0.000 0.322 488 W C 2.487 179.045 176.519 0.065 0.000 1.208 488 W CA 0.586 57.995 57.345 0.108 0.000 1.286 488 W CB -0.608 28.925 29.460 0.122 0.000 1.167 488 W HN 0.127 nan 8.180 nan 0.000 0.469 489 N N 0.176 119.060 118.700 0.307 0.000 2.069 489 N HA -0.126 4.615 4.740 0.001 0.000 0.191 489 N C 1.396 176.861 175.510 -0.075 0.000 1.031 489 N CA 1.456 54.561 53.050 0.090 0.000 0.852 489 N CB -0.870 37.694 38.487 0.130 0.000 1.018 489 N HN 0.157 nan 8.380 nan 0.000 0.423 490 L N 0.042 121.262 121.223 -0.005 0.000 2.769 490 L HA 0.334 4.674 4.340 0.001 0.000 0.240 490 L C 1.171 178.050 176.870 0.016 0.000 1.163 490 L CA -0.379 54.450 54.840 -0.019 0.000 0.962 490 L CB 0.420 42.492 42.059 0.022 0.000 1.258 490 L HN -0.024 nan 8.230 nan 0.000 0.513 491 G N 0.383 109.191 108.800 0.012 0.000 2.599 491 G HA2 0.383 4.343 3.960 0.001 0.000 0.264 491 G HA3 0.383 4.343 3.960 0.001 0.000 0.264 491 G C -2.390 172.485 174.900 -0.041 0.000 1.200 491 G CA -0.767 44.322 45.100 -0.019 0.000 0.896 491 G HN -0.128 nan 8.290 nan 0.000 0.536 492 P HA 0.231 nan 4.420 nan 0.000 0.302 492 P C -0.126 177.120 177.300 -0.091 0.000 1.301 492 P CA -0.608 62.353 63.100 -0.230 0.000 0.745 492 P CB 0.903 32.099 31.700 -0.840 0.000 1.331 493 R N -1.146 119.319 120.500 -0.057 0.000 2.637 493 R HA 0.262 4.603 4.340 0.001 0.000 0.269 493 R C 0.549 176.884 176.300 0.058 0.000 1.089 493 R CA -0.248 55.818 56.100 -0.058 0.000 1.177 493 R CB -0.279 29.881 30.300 -0.234 0.000 1.091 493 R HN 0.619 nan 8.270 nan 0.000 0.540 494 C N -1.141 118.151 119.300 -0.014 0.000 2.534 494 C HA 0.674 5.135 4.460 0.001 0.000 0.398 494 C C 1.888 176.910 174.990 0.053 0.000 1.609 494 C CA -0.249 58.670 59.018 -0.164 0.000 1.916 494 C CB 0.382 27.747 27.740 -0.626 0.000 1.954 494 C HN 0.857 nan 8.230 nan 0.000 0.508 495 A N -0.563 122.219 122.820 -0.063 0.000 1.969 495 A HA -0.058 4.262 4.320 0.001 0.000 0.218 495 A C 1.843 179.473 177.584 0.076 0.000 1.169 495 A CA 1.813 53.901 52.037 0.084 0.000 0.635 495 A CB -0.833 18.286 19.000 0.198 0.000 0.810 495 A HN 0.944 nan 8.150 nan 0.000 0.445 496 E N -1.004 119.190 120.200 -0.011 0.000 2.463 496 E HA 0.288 4.639 4.350 0.001 0.000 0.191 496 E C 1.080 177.699 176.600 0.031 0.000 1.083 496 E CA 0.575 56.984 56.400 0.016 0.000 0.872 496 E CB -0.418 29.276 29.700 -0.011 0.000 0.966 496 E HN 0.666 nan 8.360 nan 0.000 0.491 497 G N 1.579 110.428 108.800 0.083 0.000 2.203 497 G HA2 -0.365 3.595 3.960 0.001 0.000 0.263 497 G HA3 -0.365 3.595 3.960 0.001 0.000 0.263 497 G C -0.162 174.708 174.900 -0.050 0.000 1.012 497 G CA 0.523 45.646 45.100 0.039 0.000 0.749 497 G HN 0.229 nan 8.290 nan 0.000 0.512 498 K N -0.462 119.907 120.400 -0.053 0.000 2.218 498 K HA 0.517 4.838 4.320 0.001 0.000 0.276 498 K C 0.304 176.856 176.600 -0.079 0.000 1.022 498 K CA -0.826 55.424 56.287 -0.061 0.000 0.946 498 K CB 1.446 33.925 32.500 -0.035 0.000 1.000 498 K HN 0.067 nan 8.250 nan 0.000 0.468 499 L N 2.210 123.378 121.223 -0.092 0.000 2.380 499 L HA -0.001 4.340 4.340 0.001 0.000 0.273 499 L C 0.793 177.625 176.870 -0.065 0.000 1.138 499 L CA 0.543 55.320 54.840 -0.106 0.000 0.832 499 L CB 0.986 42.962 42.059 -0.137 0.000 1.124 499 L HN 0.792 nan 8.230 nan 0.000 0.454 500 S N 2.468 118.136 115.700 -0.054 0.000 2.608 500 S HA 0.361 4.832 4.470 0.001 0.000 0.261 500 S C 1.343 175.913 174.600 -0.050 0.000 1.314 500 S CA -0.166 58.018 58.200 -0.026 0.000 0.992 500 S CB 0.902 64.088 63.200 -0.024 0.000 0.935 500 S HN 0.732 nan 8.310 nan 0.000 0.564 501 A N 0.676 123.474 122.820 -0.038 0.000 1.940 501 A HA -0.049 4.271 4.320 0.001 0.000 0.219 501 A C 2.230 179.713 177.584 -0.170 0.000 1.176 501 A CA 1.763 53.770 52.037 -0.049 0.000 0.631 501 A CB -1.273 17.759 19.000 0.053 0.000 0.814 501 A HN 0.991 nan 8.150 nan 0.000 0.446 502 V N -0.104 119.587 119.914 -0.371 0.000 2.379 502 V HA -0.222 3.898 4.120 0.001 0.000 0.245 502 V C 2.265 178.282 176.094 -0.128 0.000 1.044 502 V CA 2.585 64.645 62.300 -0.400 0.000 1.036 502 V CB -0.556 31.010 31.823 -0.428 0.000 0.664 502 V HN 0.731 nan 8.190 nan 0.000 0.453 503 E N -0.511 119.620 120.200 -0.115 0.000 2.058 503 E HA -0.328 4.022 4.350 0.001 0.000 0.194 503 E C 2.220 178.761 176.600 -0.099 0.000 0.997 503 E CA 1.776 58.106 56.400 -0.117 0.000 0.801 503 E CB -0.196 29.409 29.700 -0.157 0.000 0.746 503 E HN 0.564 nan 8.360 nan 0.000 0.450 504 Q N 0.595 120.350 119.800 -0.075 0.000 2.119 504 Q HA -0.061 4.279 4.340 0.001 0.000 0.201 504 Q C 1.893 177.902 176.000 0.016 0.000 0.972 504 Q CA 1.662 57.438 55.803 -0.045 0.000 0.847 504 Q CB -0.308 28.404 28.738 -0.043 0.000 0.903 504 Q HN 0.256 nan 8.270 nan 0.000 0.433 505 A N -0.060 122.805 122.820 0.074 0.000 2.019 505 A HA -0.097 4.223 4.320 0.001 0.000 0.219 505 A C 2.029 179.691 177.584 0.131 0.000 1.164 505 A CA 1.071 53.206 52.037 0.165 0.000 0.644 505 A CB -0.587 18.615 19.000 0.336 0.000 0.805 505 A HN 0.455 nan 8.150 nan 0.000 0.449 506 L N -0.623 120.646 121.223 0.076 0.000 2.072 506 L HA -0.043 4.298 4.340 0.001 0.000 0.205 506 L C 0.205 177.095 176.870 0.033 0.000 1.079 506 L CA 0.046 54.926 54.840 0.066 0.000 0.752 506 L CB -0.474 41.601 42.059 0.028 0.000 0.906 506 L HN 0.229 nan 8.230 nan 0.000 0.436 507 I N 0.676 121.241 120.570 -0.009 0.000 2.821 507 I HA -0.008 4.162 4.170 0.001 0.000 0.294 507 I C 1.365 177.478 176.117 -0.007 0.000 1.210 507 I CA 1.311 62.594 61.300 -0.029 0.000 1.430 507 I CB 0.027 37.993 38.000 -0.056 0.000 1.356 507 I HN 0.351 nan 8.210 nan 0.000 0.563 508 G N 3.604 112.397 108.800 -0.012 0.000 2.268 508 G HA2 -0.261 3.700 3.960 0.001 0.000 0.240 508 G HA3 -0.261 3.700 3.960 0.001 0.000 0.240 508 G C 0.581 175.469 174.900 -0.021 0.000 1.010 508 G CA 0.118 45.209 45.100 -0.016 0.000 0.618 508 G HN 0.680 nan 8.290 nan 0.000 0.516 509 T N 4.694 119.249 114.554 0.001 0.000 2.908 509 T HA 0.436 4.787 4.350 0.001 0.000 0.301 509 T C -1.911 172.789 174.700 0.000 0.000 1.019 509 T CA 0.472 62.572 62.100 -0.001 0.000 1.152 509 T CB 1.586 70.510 68.868 0.094 0.000 0.966 509 T HN 0.392 nan 8.240 nan 0.000 0.540 510 P HA 0.380 nan 4.420 nan 0.000 0.285 510 P C -0.806 176.529 177.300 0.058 0.000 1.259 510 P CA -0.510 62.589 63.100 -0.003 0.000 0.794 510 P CB 0.798 32.471 31.700 -0.044 0.000 0.940 511 I N 2.427 123.036 120.570 0.064 0.000 2.382 511 I HA 0.253 4.424 4.170 0.001 0.000 0.285 511 I C 1.367 177.531 176.117 0.079 0.000 1.007 511 I CA -0.851 60.501 61.300 0.088 0.000 1.142 511 I CB 1.267 39.308 38.000 0.068 0.000 1.289 511 I HN 0.350 nan 8.210 nan 0.000 0.453 512 A N 5.079 127.969 122.820 0.117 0.000 1.825 512 A HA -0.117 4.204 4.320 0.001 0.000 0.214 512 A C 0.745 178.342 177.584 0.021 0.000 1.206 512 A CA 1.418 53.507 52.037 0.088 0.000 0.609 512 A CB -0.143 18.948 19.000 0.153 0.000 0.851 512 A HN 0.710 nan 8.150 nan 0.000 0.445 513 D N -1.525 118.875 120.400 0.000 0.000 2.441 513 D HA 0.454 5.094 4.640 0.001 0.000 0.231 513 D C -2.312 173.978 176.300 -0.016 0.000 1.073 513 D CA -2.257 51.709 54.000 -0.057 0.000 0.850 513 D CB 1.499 42.188 40.800 -0.185 0.000 1.062 513 D HN -0.063 nan 8.370 nan 0.000 0.524 514 P HA -0.040 nan 4.420 nan 0.000 0.226 514 P C 0.681 177.965 177.300 -0.028 0.000 1.153 514 P CA 0.688 63.784 63.100 -0.006 0.000 0.777 514 P CB 0.456 32.160 31.700 0.007 0.000 0.794 515 K N -0.820 119.554 120.400 -0.044 0.000 2.418 515 K HA 0.094 4.415 4.320 0.001 0.000 0.195 515 K C 0.540 177.066 176.600 -0.123 0.000 1.035 515 K CA 0.558 56.818 56.287 -0.046 0.000 1.003 515 K CB 0.164 32.647 32.500 -0.028 0.000 0.793 515 K HN 0.093 nan 8.250 nan 0.000 0.494 516 R N 0.602 120.966 120.500 -0.226 0.000 2.754 516 R HA 0.144 4.484 4.340 0.001 0.000 0.255 516 R C -2.642 173.340 176.300 -0.530 0.000 1.723 516 R CA -0.969 54.736 56.100 -0.659 0.000 1.596 516 R CB 1.397 31.525 30.300 -0.286 0.000 1.424 516 R HN -0.091 nan 8.270 nan 0.000 0.662 517 P HA 0.046 nan 4.420 nan 0.000 0.219 517 P C 0.695 177.980 177.300 -0.025 0.000 1.847 517 P CA -0.086 62.946 63.100 -0.114 0.000 1.059 517 P CB 1.117 32.808 31.700 -0.016 0.000 1.900 518 V N 2.789 122.672 119.914 -0.050 0.000 2.759 518 V HA -0.209 3.911 4.120 0.001 0.000 0.256 518 V C 1.817 177.881 176.094 -0.051 0.000 1.080 518 V CA 1.939 64.263 62.300 0.040 0.000 1.101 518 V CB -0.675 31.107 31.823 -0.068 0.000 0.698 518 V HN 0.221 nan 8.190 nan 0.000 0.477 519 E N 0.172 120.397 120.200 0.043 0.000 2.204 519 E HA -0.127 4.223 4.350 0.001 0.000 0.194 519 E C 1.911 178.626 176.600 0.193 0.000 0.989 519 E CA 1.407 57.925 56.400 0.197 0.000 0.824 519 E CB -0.227 29.707 29.700 0.391 0.000 0.756 519 E HN 0.636 nan 8.360 nan 0.000 0.477 520 I N -0.008 120.642 120.570 0.134 0.000 2.353 520 I HA -0.202 3.969 4.170 0.001 0.000 0.248 520 I C 1.644 177.814 176.117 0.088 0.000 1.119 520 I CA 0.539 61.915 61.300 0.126 0.000 1.417 520 I CB -0.029 38.035 38.000 0.108 0.000 1.078 520 I HN 0.112 nan 8.210 nan 0.000 0.421 521 L N 0.438 121.699 121.223 0.063 0.000 2.093 521 L HA -0.154 4.186 4.340 0.001 0.000 0.208 521 L C 2.572 179.499 176.870 0.094 0.000 1.085 521 L CA 1.708 56.563 54.840 0.025 0.000 0.755 521 L CB -0.618 41.531 42.059 0.149 0.000 0.904 521 L HN 0.070 nan 8.230 nan 0.000 0.435 522 R N -1.511 118.962 120.500 -0.045 0.000 2.081 522 R HA -0.126 4.214 4.340 0.001 0.000 0.235 522 R C 2.182 178.611 176.300 0.216 0.000 1.131 522 R CA 1.848 57.881 56.100 -0.111 0.000 0.960 522 R CB -0.622 29.129 30.300 -0.914 0.000 0.856 522 R HN 0.317 nan 8.270 nan 0.000 0.436 523 T N 0.296 114.984 114.554 0.224 0.000 2.732 523 T HA -0.071 4.279 4.350 0.001 0.000 0.261 523 T C 1.950 176.841 174.700 0.318 0.000 1.040 523 T CA 1.238 63.534 62.100 0.327 0.000 1.145 523 T CB -0.137 68.938 68.868 0.345 0.000 0.866 523 T HN -0.036 nan 8.240 nan 0.000 0.427 524 V N 1.130 121.161 119.914 0.195 0.000 2.287 524 V HA -0.232 3.888 4.120 0.001 0.000 0.248 524 V C 2.165 178.352 176.094 0.155 0.000 1.053 524 V CA 1.895 64.274 62.300 0.132 0.000 1.027 524 V CB -0.714 31.088 31.823 -0.034 0.000 0.646 524 V HN 0.640 nan 8.190 nan 0.000 0.447 525 H N 0.129 119.288 119.070 0.148 0.000 2.457 525 H HA -0.101 4.455 4.556 0.001 0.000 0.294 525 H C 2.431 177.722 175.328 -0.062 0.000 1.064 525 H CA 1.239 57.316 56.048 0.049 0.000 1.330 525 H CB 0.005 29.734 29.762 -0.056 0.000 1.395 525 H HN 0.600 nan 8.280 nan 0.000 0.541 526 S N -0.034 115.733 115.700 0.112 0.000 2.442 526 S HA -0.203 4.268 4.470 0.001 0.000 0.236 526 S C 1.476 176.031 174.600 -0.074 0.000 1.007 526 S CA 0.923 59.147 58.200 0.039 0.000 0.965 526 S CB -0.411 62.877 63.200 0.147 0.000 0.773 526 S HN 0.440 nan 8.310 nan 0.000 0.504 527 Y N 1.591 121.928 120.300 0.062 0.000 2.546 527 Y HA 0.197 4.747 4.550 0.001 0.000 0.287 527 Y C 0.741 176.631 175.900 -0.016 0.000 1.158 527 Y CA 0.163 58.289 58.100 0.043 0.000 1.307 527 Y CB -0.162 38.344 38.460 0.077 0.000 1.036 527 Y HN 0.211 nan 8.280 nan 0.000 0.532 528 D N 0.187 120.616 120.400 0.048 0.000 2.737 528 D HA -0.147 4.494 4.640 0.001 0.000 0.238 528 D C -2.704 173.664 176.300 0.113 0.000 1.157 528 D CA -0.091 53.873 54.000 -0.060 0.000 0.694 528 D CB -0.305 40.263 40.800 -0.388 0.000 1.021 528 D HN 0.131 nan 8.370 nan 0.000 0.420 529 P HA 0.081 nan 4.420 nan 0.000 0.267 529 P C -0.094 177.295 177.300 0.148 0.000 1.200 529 P CA -0.394 62.800 63.100 0.157 0.000 0.772 529 P CB 1.007 32.787 31.700 0.132 0.000 0.855 530 C N 4.935 124.323 119.300 0.148 0.000 2.654 530 C HA 0.293 4.753 4.460 0.001 0.000 0.315 530 C C 1.352 176.435 174.990 0.155 0.000 1.054 530 C CA -0.386 58.721 59.018 0.149 0.000 1.419 530 C CB -1.356 26.483 27.740 0.164 0.000 1.889 530 C HN 0.442 nan 8.230 nan 0.000 0.447 531 I N 3.592 124.243 120.570 0.135 0.000 2.439 531 I HA 0.019 4.189 4.170 0.001 0.000 0.251 531 I C 2.536 178.743 176.117 0.151 0.000 1.139 531 I CA 1.746 63.135 61.300 0.148 0.000 1.438 531 I CB -0.993 37.097 38.000 0.151 0.000 1.085 531 I HN 0.730 nan 8.210 nan 0.000 0.427 532 A N -0.501 122.401 122.820 0.136 0.000 1.902 532 A HA -0.223 4.098 4.320 0.001 0.000 0.217 532 A C 2.523 180.199 177.584 0.154 0.000 1.181 532 A CA 1.916 54.027 52.037 0.124 0.000 0.623 532 A CB -1.271 17.794 19.000 0.108 0.000 0.818 532 A HN 0.488 nan 8.150 nan 0.000 0.443 533 C N -1.257 118.166 119.300 0.206 0.000 2.476 533 C HA 0.088 4.548 4.460 0.001 0.000 0.278 533 C C 3.028 178.240 174.990 0.371 0.000 1.274 533 C CA 0.619 59.817 59.018 0.301 0.000 1.713 533 C CB -1.478 26.462 27.740 0.334 0.000 2.039 533 C HN 0.696 nan 8.230 nan 0.000 0.484 534 G N -0.191 108.764 108.800 0.259 0.000 2.432 534 G HA2 -0.114 3.847 3.960 0.001 0.000 0.219 534 G HA3 -0.114 3.847 3.960 0.001 0.000 0.219 534 G C 1.511 176.458 174.900 0.079 0.000 1.135 534 G CA 1.584 46.817 45.100 0.221 0.000 0.767 534 G HN 0.442 nan 8.290 nan 0.000 0.550 535 V N 0.890 120.795 119.914 -0.014 0.000 2.922 535 V HA 0.149 4.269 4.120 0.001 0.000 0.242 535 V C 1.092 176.798 176.094 -0.647 0.000 1.094 535 V CA 0.543 62.726 62.300 -0.196 0.000 1.106 535 V CB -0.650 31.242 31.823 0.116 0.000 0.799 535 V HN 0.731 nan 8.190 nan 0.000 0.474 536 H N 0.000 119.083 119.070 0.022 0.000 2.539 536 H HA 0.000 4.556 4.556 0.001 0.000 0.296 536 H CA 0.000 55.992 56.048 -0.094 0.000 1.023 536 H CB 0.000 29.712 29.762 -0.083 0.000 1.292 536 H HN 0.000 nan 8.280 nan 0.000 0.496