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_B 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 5.094 4.320 0.146 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 1.035 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 2.772 123.380 120.570 0.063 0.000 2.499 9 I HA 0.275 4.532 4.170 0.146 0.000 0.288 9 I C -1.218 174.948 176.117 0.081 0.000 1.048 9 I CA -1.150 60.190 61.300 0.066 0.000 1.062 9 I CB 1.996 40.037 38.000 0.068 0.000 1.238 9 I HN 0.276 nan 8.210 nan 0.000 0.426 10 V N 7.607 127.569 119.914 0.081 0.000 2.495 10 V HA 0.624 4.832 4.120 0.146 0.000 0.298 10 V C -1.012 175.148 176.094 0.110 0.000 1.031 10 V CA -0.253 62.105 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 4.827 4.120 0.146 0.000 0.281 11 V C -0.761 175.411 176.094 0.129 0.000 1.015 11 V CA -0.231 62.147 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 5.581 126.062 120.400 0.136 0.000 2.613 12 D HA 0.441 5.168 4.640 0.146 0.000 0.230 12 D C -2.352 174.030 176.300 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 43.733 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 62.566 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 2.073 122.699 120.570 0.094 0.000 2.416 14 I HA 0.086 4.344 4.170 0.146 0.000 0.288 14 I C 1.228 177.387 176.117 0.069 0.000 1.051 14 I CA 0.059 61.397 61.300 0.062 0.000 1.375 14 I CB 1.079 39.096 38.000 0.028 0.000 1.407 14 I HN 0.540 nan 8.210 nan 0.000 0.516 15 T N 3.263 117.866 114.554 0.081 0.000 2.897 15 T HA 0.453 4.891 4.350 0.146 0.000 0.278 15 T C 0.666 175.488 174.700 0.204 0.000 0.981 15 T CA -0.786 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 -0.220 120.369 120.500 0.149 0.000 3.525 16 R HA -0.141 4.287 4.340 0.146 0.000 0.276 16 R C -0.027 176.438 176.300 0.274 0.000 1.116 16 R CA 0.913 57.108 56.100 0.159 0.000 0.745 16 R CB -2.141 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 -4.840 115.863 120.570 0.223 0.000 3.343 17 I HA 0.575 4.833 4.170 0.146 0.000 0.315 17 I C -0.514 175.669 176.117 0.110 0.000 1.153 17 I CA -1.145 60.275 61.300 0.201 0.000 0.952 17 I CB 2.114 40.212 38.000 0.163 0.000 1.287 17 I HN -0.224 nan 8.210 nan 0.000 0.472 18 E N 1.557 121.816 120.200 0.098 0.000 2.156 18 E HA 0.593 5.031 4.350 0.146 0.000 0.279 18 E C -0.041 176.565 176.600 0.010 0.000 0.965 18 E CA 0.569 57.003 56.400 0.056 0.000 0.789 18 E CB 1.355 31.110 29.700 0.091 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 -0.183 3.865 3.960 0.146 0.000 0.294 19 G HA3 -0.183 3.865 3.960 0.146 0.000 0.294 19 G C -0.851 173.846 174.900 -0.339 0.000 1.342 19 G CA -0.606 44.375 45.100 -0.198 0.000 0.866 19 G HN 0.709 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 5.187 4.556 0.156 0.000 0.289 20 H C -0.122 175.303 175.328 0.163 0.000 1.089 20 H CA -0.203 55.931 56.048 0.142 0.000 1.299 20 H CB 1.306 31.158 29.762 0.149 0.000 1.405 20 H HN 0.515 nan 8.280 nan 0.000 0.463 21 L N 3.494 124.838 121.223 0.202 0.000 2.362 21 L HA 0.450 4.877 4.340 0.146 0.000 0.271 21 L C -0.367 176.601 176.870 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 0.550 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 5.069 4.340 0.146 0.000 0.297 22 R C -1.822 174.541 176.300 0.105 0.000 0.969 22 R CA -0.682 55.496 56.100 0.130 0.000 0.879 22 R CB 1.266 31.640 30.300 0.123 0.000 1.178 22 R HN 0.648 nan 8.270 nan 0.000 0.445 23 I N 3.721 124.355 120.570 0.108 0.000 2.406 23 I HA 0.329 4.587 4.170 0.146 0.000 0.290 23 I C -0.414 175.781 176.117 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 5.653 125.957 120.200 0.174 0.000 2.210 24 E HA 0.596 5.033 4.350 0.146 0.000 0.266 24 E C -0.941 175.867 176.600 0.345 0.000 0.883 24 E CA -0.693 55.818 56.400 0.185 0.000 0.761 24 E CB 3.122 32.866 29.700 0.073 0.000 1.156 24 E HN 0.454 nan 8.360 nan 0.000 0.412 25 V N -0.504 119.567 119.914 0.261 0.000 3.040 25 V HA 0.549 4.757 4.120 0.146 0.000 0.312 25 V C -0.685 175.557 176.094 0.246 0.000 1.115 25 V CA -0.915 61.550 62.300 0.273 0.000 0.998 25 V CB 2.139 34.045 31.823 0.139 0.000 1.042 25 V HN 0.634 nan 8.190 nan 0.000 0.433 26 E N 1.649 121.999 120.200 0.250 0.000 2.133 26 E HA 0.645 5.082 4.350 0.146 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 4.648 4.120 0.146 0.000 0.310 27 V C -0.280 175.832 176.094 0.029 0.000 1.053 27 V CA -0.571 61.754 62.300 0.040 0.000 0.957 27 V CB 1.669 33.517 31.823 0.041 0.000 1.018 27 V HN 0.803 nan 8.190 nan 0.000 0.452 28 E N 1.852 122.063 120.200 0.019 0.000 2.428 28 E HA 0.492 4.929 4.350 0.146 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 30.628 29.700 0.009 0.000 1.351 28 E HN 1.258 nan 8.360 nan 0.000 0.392 29 G N 2.484 111.289 108.800 0.008 0.000 2.221 29 G HA2 -0.083 3.965 3.960 0.146 0.000 0.265 29 G HA3 -0.083 3.965 3.960 0.146 0.000 0.265 29 G C 1.018 175.922 174.900 0.007 0.000 1.041 29 G CA 0.616 45.719 45.100 0.006 0.000 0.807 29 G HN 1.967 nan 8.290 nan 0.000 0.502 30 G N -1.655 107.152 108.800 0.012 0.000 2.155 30 G HA2 -0.278 3.769 3.960 0.146 0.000 0.257 30 G HA3 -0.278 3.769 3.960 0.146 0.000 0.257 30 G C 0.240 175.150 174.900 0.017 0.000 0.983 30 G CA 1.361 46.471 45.100 0.016 0.000 0.676 30 G HN 1.056 nan 8.290 nan 0.000 0.528 31 K N -0.398 120.009 120.400 0.012 0.000 2.371 31 K HA 0.607 5.015 4.320 0.146 0.000 0.251 31 K C 0.515 177.123 176.600 0.012 0.000 0.934 31 K CA -1.115 55.177 56.287 0.008 0.000 0.798 31 K CB 1.678 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 3.563 124.143 120.570 0.016 0.000 2.668 32 I HA -0.108 4.150 4.170 0.146 0.000 0.285 32 I C 1.264 177.375 176.117 -0.010 0.000 1.168 32 I CA 0.535 61.843 61.300 0.014 0.000 1.424 32 I CB 0.378 38.392 38.000 0.022 0.000 1.377 32 I HN 0.644 nan 8.210 nan 0.000 0.560 33 K N 4.636 125.027 120.400 -0.017 0.000 2.370 33 K HA 0.238 4.646 4.320 0.146 0.000 0.194 33 K C 0.214 176.758 176.600 -0.092 0.000 1.070 33 K CA 0.302 56.566 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 -0.410 118.208 118.700 -0.137 0.000 2.591 34 N HA 0.653 5.481 4.740 0.146 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 0.792 123.086 122.820 -0.877 0.000 2.604 35 A HA 0.718 5.125 4.320 0.146 0.000 0.295 35 A C -2.033 175.058 177.584 -0.821 0.000 1.067 35 A CA -0.700 51.001 52.037 -0.560 0.000 0.683 35 A CB 1.380 20.247 19.000 -0.221 0.000 1.281 35 A HN 0.460 nan 8.150 nan 0.000 0.407 36 W N 1.046 122.242 121.300 -0.174 0.000 2.900 36 W HA 0.520 5.266 4.660 0.143 0.000 0.336 36 W C -0.096 176.368 176.519 -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 31.485 29.460 -0.550 0.000 1.391 36 W HN 0.741 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 5.144 4.470 0.146 0.000 0.313 37 S C -0.403 174.344 174.600 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 4.307 124.003 119.600 0.159 0.000 2.047 38 M HA 0.307 4.874 4.480 0.146 0.000 0.342 38 M C -0.348 176.038 176.300 0.143 0.000 1.058 38 M CA -0.372 54.986 55.300 0.097 0.000 0.991 38 M CB 1.598 34.158 32.600 -0.066 0.000 1.474 38 M HN 0.405 nan 8.290 nan 0.000 0.419 39 S N 1.482 117.294 115.700 0.187 0.000 2.465 39 S HA 0.241 4.799 4.470 0.146 0.000 0.279 39 S C 1.065 175.980 174.600 0.524 0.000 1.201 39 S CA -0.644 57.739 58.200 0.306 0.000 1.053 39 S CB 0.612 63.979 63.200 0.279 0.000 0.953 39 S HN 0.786 nan 8.310 nan 0.000 0.488 40 T N 0.504 115.369 114.554 0.518 0.000 3.176 40 T HA 0.379 4.817 4.350 0.146 0.000 0.263 40 T C -0.084 174.893 174.700 0.461 0.000 1.021 40 T CA -0.308 62.162 62.100 0.617 0.000 0.905 40 T CB -0.464 68.704 68.868 0.499 0.000 1.057 40 T HN 0.361 nan 8.240 nan 0.000 0.558 41 L N 0.726 122.160 121.223 0.352 0.000 2.408 41 L HA 0.837 5.264 4.340 0.146 0.000 0.268 41 L C -1.851 174.980 176.870 -0.065 0.000 0.986 41 L CA -1.400 53.480 54.840 0.066 0.000 0.820 41 L CB 2.113 44.221 42.059 0.082 0.000 1.303 41 L HN 0.209 nan 8.230 nan 0.000 0.411 42 F N 4.457 124.065 119.950 -0.571 0.000 2.507 42 F HA 0.615 5.233 4.527 0.151 0.000 0.325 42 F C 0.503 176.079 175.800 -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 2.752 122.713 120.500 -0.899 0.000 2.225 43 R HA 0.296 4.724 4.340 0.146 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 0.465 30.572 30.300 -0.322 0.000 1.106 43 R HN 0.964 nan 8.270 nan 0.000 0.566 44 G N 1.790 109.797 108.800 -1.322 0.000 2.341 44 G HA2 -0.193 3.855 3.960 0.146 0.000 0.278 44 G HA3 -0.193 3.855 3.960 0.146 0.000 0.278 44 G C 0.262 175.009 174.900 -0.255 0.000 1.111 44 G CA -0.280 44.321 45.100 -0.832 0.000 0.982 44 G HN 0.059 nan 8.290 nan 0.000 0.502 45 L N -0.026 121.091 121.223 -0.176 0.000 2.093 45 L HA 0.086 4.513 4.340 0.146 0.000 0.208 45 L C 2.636 179.465 176.870 -0.068 0.000 1.085 45 L CA 2.619 57.407 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 0.594 nan 8.230 nan 0.000 0.435 46 E N -1.079 119.126 120.200 0.008 0.000 2.153 46 E HA -0.219 4.219 4.350 0.146 0.000 0.194 46 E C 2.175 178.793 176.600 0.029 0.000 0.988 46 E CA 1.235 57.660 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 0.121 119.750 119.600 0.048 0.000 2.229 47 M HA -0.079 4.489 4.480 0.146 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 -0.289 120.242 120.570 -0.064 0.000 2.500 48 I HA -0.214 4.044 4.170 0.146 0.000 0.252 48 I C 2.114 178.069 176.117 -0.270 0.000 1.142 48 I CA 0.585 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 0.638 121.691 121.223 -0.284 0.000 2.056 49 L HA -0.043 4.385 4.340 0.146 0.000 0.207 49 L C 1.285 178.042 176.870 -0.187 0.000 1.078 49 L CA 1.324 55.955 54.840 -0.348 0.000 0.749 49 L CB -0.760 41.116 42.059 -0.305 0.000 0.901 49 L HN 0.015 nan 8.230 nan 0.000 0.433 50 K N 0.736 121.082 120.400 -0.090 0.000 2.472 50 K HA -0.084 4.324 4.320 0.146 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 -0.607 31.882 32.500 -0.018 0.000 0.821 50 K HN 0.514 nan 8.250 nan 0.000 0.486 51 G N 3.278 112.056 108.800 -0.036 0.000 2.168 51 G HA2 -0.324 3.723 3.960 0.146 0.000 0.263 51 G HA3 -0.324 3.723 3.960 0.146 0.000 0.263 51 G C 0.399 175.267 174.900 -0.052 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 -0.049 120.402 120.500 -0.081 0.000 2.531 52 R HA 0.387 4.814 4.340 0.146 0.000 0.260 52 R C -0.300 175.982 176.300 -0.030 0.000 1.144 52 R CA -0.623 55.425 56.100 -0.088 0.000 1.171 52 R CB 0.300 30.468 30.300 -0.221 0.000 1.199 52 R HN 0.176 nan 8.270 nan 0.000 0.594 53 D N 1.113 121.521 120.400 0.013 0.000 2.343 53 D HA 0.068 4.796 4.640 0.146 0.000 0.255 53 D C -1.702 174.677 176.300 0.133 0.000 1.187 53 D CA -1.993 52.057 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 1.087 178.526 177.300 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 -0.873 119.804 120.500 0.295 0.000 2.237 55 R HA -0.080 4.348 4.340 0.146 0.000 0.219 55 R C 1.206 177.641 176.300 0.225 0.000 1.080 55 R CA 1.019 57.273 56.100 0.258 0.000 0.995 55 R CB -0.396 30.109 30.300 0.342 0.000 0.875 55 R HN 0.253 nan 8.270 nan 0.000 0.462 56 D N 0.206 120.746 120.400 0.232 0.000 2.240 56 D HA 0.040 4.767 4.640 0.146 0.000 0.206 56 D C 1.773 178.228 176.300 0.259 0.000 0.963 56 D CA 0.826 55.021 54.000 0.326 0.000 0.863 56 D CB -0.159 40.827 40.800 0.309 0.000 0.973 56 D HN 0.103 nan 8.370 nan 0.000 0.501 57 A N 1.904 124.764 122.820 0.065 0.000 1.909 57 A HA -0.377 4.031 4.320 0.146 0.000 0.221 57 A C 2.165 179.700 177.584 -0.082 0.000 1.223 57 A CA 2.973 54.933 52.037 -0.128 0.000 0.658 57 A CB -1.203 17.660 19.000 -0.229 0.000 0.831 57 A HN 0.468 nan 8.150 nan 0.000 0.462 58 Q N -1.822 117.914 119.800 -0.106 0.000 2.152 58 Q HA -0.276 4.152 4.340 0.146 0.000 0.206 58 Q C 1.830 177.696 176.000 -0.222 0.000 0.985 58 Q CA 1.942 57.631 55.803 -0.190 0.000 0.863 58 Q CB -0.669 27.897 28.738 -0.287 0.000 0.904 58 Q HN 0.817 nan 8.270 nan 0.000 0.422 59 H N -0.897 118.192 119.070 0.032 0.000 2.436 59 H HA 0.005 4.648 4.556 0.144 0.000 0.294 59 H C 1.622 176.850 175.328 -0.167 0.000 1.048 59 H CA 1.126 57.134 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 4.446 4.527 0.145 0.000 0.294 60 F C 2.924 178.619 175.800 -0.176 0.000 1.107 60 F CA 1.742 59.672 58.000 -0.117 0.000 1.234 60 F CB -0.702 38.202 39.000 -0.160 0.000 1.002 60 F HN 0.173 nan 8.300 nan 0.000 0.472 61 T N -2.125 112.417 114.554 -0.021 0.000 2.788 61 T HA -0.260 4.178 4.350 0.146 0.000 0.268 61 T C 1.881 176.535 174.700 -0.076 0.000 1.044 61 T CA 1.389 63.425 62.100 -0.107 0.000 1.139 61 T CB -0.716 68.112 68.868 -0.066 0.000 0.867 61 T HN 0.332 nan 8.240 nan 0.000 0.454 62 Q N 0.539 120.320 119.800 -0.032 0.000 2.197 62 Q HA -0.126 4.302 4.340 0.146 0.000 0.207 62 Q C 1.821 177.744 176.000 -0.128 0.000 0.984 62 Q CA 1.164 56.957 55.803 -0.017 0.000 0.869 62 Q CB -0.043 28.650 28.738 -0.075 0.000 0.906 62 Q HN 0.306 nan 8.270 nan 0.000 0.426 63 R N -0.546 119.820 120.500 -0.224 0.000 2.328 63 R HA 0.100 4.528 4.340 0.146 0.000 0.200 63 R C 1.393 177.656 176.300 -0.062 0.000 0.983 63 R CA 0.660 56.656 56.100 -0.175 0.000 1.062 63 R CB -0.508 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 -0.146 0.000 2.067 64 A HA -0.023 4.384 4.320 0.146 0.000 0.219 64 A C 0.665 178.241 177.584 -0.014 0.000 1.158 64 A CA 0.843 52.782 52.037 -0.165 0.000 0.661 64 A CB 0.047 18.753 19.000 -0.490 0.000 0.801 64 A HN 0.365 nan 8.150 nan 0.000 0.452 65 C N -3.065 116.287 119.300 0.086 0.000 3.046 65 C HA 0.552 5.100 4.460 0.146 0.000 0.388 65 C C 1.200 176.372 174.990 0.304 0.000 1.041 65 C CA -0.218 58.920 59.018 0.200 0.000 1.241 65 C CB 0.900 28.783 27.740 0.238 0.000 1.638 65 C HN 0.493 nan 8.230 nan 0.000 0.539 66 G N 2.681 111.610 108.800 0.214 0.000 3.088 66 G HA2 0.231 4.279 3.960 0.146 0.000 0.217 66 G HA3 0.231 4.279 3.960 0.146 0.000 0.217 66 G C 0.909 175.830 174.900 0.034 0.000 1.159 66 G CA 0.974 46.100 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 -0.044 4.164 4.120 0.146 0.000 0.240 67 V C 2.111 178.296 176.094 0.152 0.000 1.035 67 V CA 1.395 63.770 62.300 0.125 0.000 1.033 67 V CB -0.225 31.677 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 5.025 4.460 0.146 0.000 0.490 68 C C 0.938 176.063 174.990 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 0.456 115.151 114.554 0.234 0.000 2.926 69 T HA 0.280 4.718 4.350 0.146 0.000 0.307 69 T C 0.382 175.305 174.700 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 4.229 4.550 0.129 0.000 0.478 70 Y C 1.693 177.654 175.900 0.101 0.000 1.224 70 Y CA 3.344 61.549 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 0.061 119.833 119.914 -0.236 0.000 2.370 71 V HA -0.327 3.881 4.120 0.146 0.000 0.252 71 V C 2.173 177.972 176.094 -0.490 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 0.441 119.420 119.070 -0.152 0.000 2.436 72 H HA 0.247 4.871 4.556 0.114 0.000 0.294 72 H C 2.525 177.780 175.328 -0.122 0.000 1.048 72 H CA 1.468 57.472 56.048 -0.074 0.000 1.353 72 H CB -0.112 29.739 29.762 0.148 0.000 1.414 72 H HN 0.621 nan 8.280 nan 0.000 0.536 73 A N 1.668 124.460 122.820 -0.048 0.000 1.877 73 A HA -0.117 4.290 4.320 0.146 0.000 0.216 73 A C 2.583 180.028 177.584 -0.230 0.000 1.186 73 A CA 0.884 52.865 52.037 -0.094 0.000 0.620 73 A CB -0.901 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 -0.685 120.275 121.223 -0.440 0.000 1.989 74 L HA -0.237 4.190 4.340 0.146 0.000 0.211 74 L C 2.991 179.619 176.870 -0.403 0.000 1.071 74 L CA 1.773 56.334 54.840 -0.466 0.000 0.749 74 L CB -0.606 41.039 42.059 -0.691 0.000 0.890 74 L HN 0.455 nan 8.230 nan 0.000 0.431 75 A N -1.453 121.062 122.820 -0.508 0.000 1.972 75 A HA -0.201 4.207 4.320 0.146 0.000 0.219 75 A C 2.405 179.733 177.584 -0.426 0.000 1.169 75 A CA 2.031 53.697 52.037 -0.618 0.000 0.635 75 A CB -0.530 17.814 19.000 -1.093 0.000 0.810 75 A HN 0.492 nan 8.150 nan 0.000 0.446 76 S N -0.711 114.876 115.700 -0.188 0.000 2.357 76 S HA -0.121 4.436 4.470 0.146 0.000 0.221 76 S C 2.095 176.689 174.600 -0.010 0.000 1.031 76 S CA 1.544 59.849 58.200 0.176 0.000 0.982 76 S CB -0.554 62.807 63.200 0.268 0.000 0.853 76 S HN 0.854 nan 8.310 nan 0.000 0.458 77 V N 0.750 120.586 119.914 -0.130 0.000 2.515 77 V HA -0.040 4.168 4.120 0.146 0.000 0.250 77 V C 1.978 177.935 176.094 -0.229 0.000 1.058 77 V CA 1.412 63.602 62.300 -0.184 0.000 1.064 77 V CB -0.749 30.949 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 0.171 4.599 4.340 0.146 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 29.547 30.300 -0.338 0.000 0.875 78 R HN 0.617 nan 8.270 nan 0.000 0.445 79 A N 0.595 123.248 122.820 -0.279 0.000 1.929 79 A HA -0.060 4.348 4.320 0.146 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 -0.280 0.000 0.816 79 A HN 0.101 nan 8.150 nan 0.000 0.444 80 V N 0.278 120.104 119.914 -0.148 0.000 2.649 80 V HA -0.127 4.081 4.120 0.146 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 -0.728 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 0.870 121.091 120.400 -0.298 0.000 2.084 81 D HA -0.189 4.539 4.640 0.146 0.000 0.194 81 D C 2.051 178.264 176.300 -0.146 0.000 0.990 81 D CA 1.839 55.663 54.000 -0.292 0.000 0.826 81 D CB -0.469 40.171 40.800 -0.267 0.000 0.971 81 D HN 0.441 nan 8.370 nan 0.000 0.453 82 N N 0.192 118.788 118.700 -0.172 0.000 2.104 82 N HA -0.165 4.662 4.740 0.146 0.000 0.190 82 N C 1.864 177.383 175.510 0.013 0.000 1.024 82 N CA 1.714 54.706 53.050 -0.096 0.000 0.853 82 N CB -0.240 38.110 38.487 -0.229 0.000 1.008 82 N HN 0.337 nan 8.380 nan 0.000 0.424 83 C N -1.428 117.852 119.300 -0.034 0.000 2.522 83 C HA 0.278 4.826 4.460 0.146 0.000 0.271 83 C C 1.851 176.874 174.990 0.055 0.000 1.425 83 C CA -0.166 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 0.804 120.735 119.914 0.028 0.000 3.528 84 V HA 0.401 4.609 4.120 0.146 0.000 0.294 84 V C 1.918 178.053 176.094 0.068 0.000 1.404 84 V CA 1.147 63.482 62.300 0.059 0.000 1.065 84 V CB -0.080 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 0.945 109.789 108.800 0.075 0.000 2.203 85 G HA2 -0.235 3.812 3.960 0.146 0.000 0.263 85 G HA3 -0.235 3.812 3.960 0.146 0.000 0.263 85 G C 0.357 175.282 174.900 0.042 0.000 1.012 85 G CA 0.701 45.845 45.100 0.074 0.000 0.749 85 G HN 0.600 nan 8.290 nan 0.000 0.512 86 V N 0.018 119.965 119.914 0.056 0.000 2.686 86 V HA 0.541 4.749 4.120 0.146 0.000 0.295 86 V C 0.417 176.560 176.094 0.082 0.000 1.055 86 V CA -0.356 61.953 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 7.711 128.121 120.400 0.017 0.000 2.414 87 K HA 0.354 4.762 4.320 0.146 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 1.037 33.510 32.500 -0.045 0.000 1.280 87 K HN 0.807 nan 8.250 nan 0.000 0.451 88 I N 1.025 121.585 120.570 -0.017 0.000 2.720 88 I HA 0.373 4.631 4.170 0.146 0.000 0.287 88 I C -2.228 173.869 176.117 -0.033 0.000 1.090 88 I CA -1.895 59.369 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 0.072 nan 4.420 nan 0.000 0.272 89 P C 0.392 177.680 177.300 -0.020 0.000 1.223 89 P CA -0.168 62.926 63.100 -0.009 0.000 0.784 89 P CB 0.628 32.337 31.700 0.016 0.000 0.923 90 E N 1.542 121.734 120.200 -0.013 0.000 2.097 90 E HA -0.318 4.120 4.350 0.146 0.000 0.196 90 E C 1.172 177.746 176.600 -0.043 0.000 1.000 90 E CA 1.536 57.922 56.400 -0.022 0.000 0.804 90 E CB -0.158 29.537 29.700 -0.008 0.000 0.740 90 E HN 0.323 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 -0.098 4.730 4.740 0.146 0.000 0.182 91 N C 1.318 176.780 175.510 -0.081 0.000 1.018 91 N CA 1.134 54.151 53.050 -0.054 0.000 0.876 91 N CB -0.223 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 -0.495 122.286 122.820 -0.065 0.000 2.016 92 A HA 0.013 4.421 4.320 0.146 0.000 0.217 92 A C 2.280 179.801 177.584 -0.104 0.000 1.162 92 A CA 1.236 53.226 52.037 -0.078 0.000 0.662 92 A CB -0.612 18.348 19.000 -0.066 0.000 0.812 92 A HN 0.197 nan 8.150 nan 0.000 0.450 93 T N 0.560 115.050 114.554 -0.107 0.000 2.701 93 T HA -0.067 4.371 4.350 0.146 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 0.359 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 4.287 4.340 0.146 0.000 0.210 94 L C 2.685 179.334 176.870 -0.367 0.000 1.073 94 L CA 1.595 56.261 54.840 -0.289 0.000 0.748 94 L CB -0.517 41.436 42.059 -0.176 0.000 0.891 94 L HN 0.326 nan 8.230 nan 0.000 0.431 95 M N -0.545 118.858 119.600 -0.328 0.000 2.213 95 M HA -0.220 4.347 4.480 0.146 0.000 0.263 95 M C 2.358 178.516 176.300 -0.235 0.000 1.062 95 M CA 1.642 56.681 55.300 -0.436 0.000 1.105 95 M CB -0.005 32.407 32.600 -0.314 0.000 1.385 95 M HN 0.044 nan 8.290 nan 0.000 0.417 96 R N 0.047 120.497 120.500 -0.084 0.000 2.115 96 R HA -0.045 4.383 4.340 0.146 0.000 0.226 96 R C 1.722 178.016 176.300 -0.009 0.000 1.100 96 R CA 1.576 57.722 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 0.152 118.703 118.700 -0.248 0.000 2.207 97 N HA -0.048 4.780 4.740 0.146 0.000 0.182 97 N C 1.591 176.886 175.510 -0.359 0.000 1.020 97 N CA 0.910 53.692 53.050 -0.445 0.000 0.858 97 N CB -0.045 37.780 38.487 -1.104 0.000 0.991 97 N HN 0.131 nan 8.380 nan 0.000 0.427 98 L N 0.350 121.383 121.223 -0.317 0.000 2.093 98 L HA -0.112 4.316 4.340 0.146 0.000 0.208 98 L C 1.891 178.793 176.870 0.054 0.000 1.085 98 L CA 1.068 55.860 54.840 -0.079 0.000 0.755 98 L CB -0.542 41.232 42.059 -0.475 0.000 0.904 98 L HN 0.171 nan 8.230 nan 0.000 0.435 99 T N -0.682 113.833 114.554 -0.066 0.000 2.867 99 T HA -0.213 4.225 4.350 0.146 0.000 0.268 99 T C 1.730 176.448 174.700 0.030 0.000 1.057 99 T CA 1.443 63.476 62.100 -0.113 0.000 1.136 99 T CB -0.098 68.458 68.868 -0.521 0.000 0.874 99 T HN 0.187 nan 8.240 nan 0.000 0.466 100 M N 1.577 121.312 119.600 0.224 0.000 2.288 100 M HA 0.245 4.812 4.480 0.146 0.000 0.266 100 M C 2.203 178.730 176.300 0.377 0.000 1.072 100 M CA 1.298 56.840 55.300 0.403 0.000 1.132 100 M CB -0.817 31.977 32.600 0.324 0.000 1.386 100 M HN 0.159 nan 8.290 nan 0.000 0.432 101 G N -0.362 108.665 108.800 0.377 0.000 2.421 101 G HA2 -0.126 3.922 3.960 0.146 0.000 0.216 101 G HA3 -0.126 3.922 3.960 0.146 0.000 0.216 101 G C 1.569 176.665 174.900 0.326 0.000 1.171 101 G CA 0.929 46.222 45.100 0.321 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 4.302 4.320 0.146 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 -1.380 118.604 119.800 0.306 0.000 2.119 103 Q HA -0.145 4.282 4.340 0.146 0.000 0.201 103 Q C 1.623 177.839 176.000 0.360 0.000 0.972 103 Q CA 1.811 57.803 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 -0.170 120.223 120.300 0.155 0.000 2.184 104 Y HA -0.063 4.580 4.550 0.155 0.000 0.290 104 Y C 2.201 178.140 175.900 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 4.233 4.480 0.146 0.000 0.256 105 M C 2.335 178.801 176.300 0.277 0.000 1.071 105 M CA 2.216 57.716 55.300 0.332 0.000 1.097 105 M CB -0.786 31.996 32.600 0.304 0.000 1.315 105 M HN 0.372 nan 8.290 nan 0.000 0.406 106 H N -0.061 119.103 119.070 0.157 0.000 2.276 106 H HA -0.175 4.449 4.556 0.113 0.000 0.301 106 H C 1.751 177.142 175.328 0.106 0.000 1.073 106 H CA 2.003 58.118 56.048 0.113 0.000 1.311 106 H CB -0.256 29.561 29.762 0.091 0.000 1.379 106 H HN 0.302 nan 8.280 nan 0.000 0.494 107 D N -0.113 120.402 120.400 0.192 0.000 2.137 107 D HA -0.184 4.544 4.640 0.146 0.000 0.189 107 D C 2.199 178.564 176.300 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 40.259 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 4.553 4.556 0.154 0.000 0.297 108 H C 2.395 177.707 175.328 -0.026 0.000 1.097 108 H CA 0.621 56.743 56.048 0.122 0.000 1.285 108 H CB 0.021 29.920 29.762 0.228 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 4.241 4.340 0.146 0.000 0.208 109 L C 2.375 179.188 176.870 -0.095 0.000 1.071 109 L CA 1.035 55.787 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 -0.792 119.068 119.914 -0.090 0.000 2.343 110 V HA -0.338 3.870 4.120 0.146 0.000 0.247 110 V C 2.458 178.540 176.094 -0.021 0.000 1.051 110 V CA 1.902 64.171 62.300 -0.051 0.000 1.036 110 V CB -0.880 30.917 31.823 -0.044 0.000 0.654 110 V HN 0.572 nan 8.190 nan 0.000 0.451 111 H N -0.772 118.294 119.070 -0.006 0.000 2.290 111 H HA -0.249 4.390 4.556 0.138 0.000 0.298 111 H C 2.331 177.660 175.328 0.001 0.000 1.087 111 H CA 2.518 58.587 56.048 0.034 0.000 1.291 111 H CB -0.216 29.614 29.762 0.114 0.000 1.369 111 H HN 0.400 nan 8.280 nan 0.000 0.492 112 F N 1.021 120.852 119.950 -0.198 0.000 2.043 112 F HA -0.298 4.313 4.527 0.139 0.000 0.297 112 F C 1.973 177.514 175.800 -0.432 0.000 1.121 112 F CA 1.902 59.693 58.000 -0.348 0.000 1.199 112 F CB -0.926 37.753 39.000 -0.535 0.000 0.968 112 F HN 0.129 nan 8.300 nan 0.000 0.478 113 Y N -0.803 119.133 120.300 -0.608 0.000 2.206 113 Y HA -0.076 4.559 4.550 0.140 0.000 0.292 113 Y C 2.581 178.095 175.900 -0.643 0.000 1.123 113 Y CA 2.129 59.793 58.100 -0.726 0.000 1.142 113 Y CB -0.992 37.006 38.460 -0.770 0.000 1.006 113 Y HN 0.221 nan 8.280 nan 0.000 0.518 114 H N -2.505 116.468 119.070 -0.161 0.000 2.582 114 H HA 0.090 4.728 4.556 0.136 0.000 0.269 114 H C 1.282 176.564 175.328 -0.077 0.000 0.962 114 H CA 0.351 56.288 56.048 -0.185 0.000 1.230 114 H CB 0.338 29.936 29.762 -0.274 0.000 1.445 114 H HN 0.142 nan 8.280 nan 0.000 0.528 115 L N -1.104 120.052 121.223 -0.111 0.000 2.349 115 L HA 0.067 4.494 4.340 0.146 0.000 0.200 115 L C 2.056 178.696 176.870 -0.384 0.000 1.064 115 L CA 1.531 56.252 54.840 -0.197 0.000 0.821 115 L CB -0.290 41.701 42.059 -0.114 0.000 1.027 115 L HN 0.327 nan 8.230 nan 0.000 0.476 116 H N -1.849 116.875 119.070 -0.576 0.000 2.439 116 H HA 0.130 4.777 4.556 0.152 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 4.185 4.320 0.146 0.000 0.220 117 A C 1.906 179.511 177.584 0.035 0.000 1.198 117 A CA 1.479 53.390 52.037 -0.210 0.000 0.647 117 A CB -0.861 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 4.312 4.340 0.146 0.000 0.242 118 L C 0.623 177.588 176.870 0.158 0.000 1.175 118 L CA 1.464 56.408 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 -3.240 117.081 120.400 -0.131 0.000 2.417 119 D HA -0.020 4.708 4.640 0.146 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 -0.523 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 0.282 121.371 121.300 -0.352 0.000 2.873 120 W HA 0.250 4.993 4.660 0.139 0.000 0.282 120 W C 0.303 176.803 176.519 -0.031 0.000 1.118 120 W CA -0.107 56.962 57.345 -0.460 0.000 1.480 120 W CB 0.505 29.646 29.460 -0.532 0.000 0.954 120 W HN -0.358 nan 8.180 nan 0.000 0.591 121 V N 2.782 122.842 119.914 0.243 0.000 2.435 121 V HA 0.236 4.444 4.120 0.146 0.000 0.290 121 V C -0.283 175.760 176.094 -0.085 0.000 1.030 121 V CA -0.808 61.572 62.300 0.134 0.000 0.881 121 V CB 1.282 33.115 31.823 0.017 0.000 0.983 121 V HN -0.040 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 0.155 4.982 4.740 0.146 0.000 0.233 122 N C 0.733 175.737 175.510 -0.843 0.000 1.038 122 N CA -0.065 52.458 53.050 -0.878 0.000 0.934 122 N CB 1.495 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 3.173 122.381 119.914 -1.178 0.000 2.469 123 V HA -0.255 3.952 4.120 0.146 0.000 0.251 123 V C 2.294 178.104 176.094 -0.472 0.000 1.064 123 V CA 2.245 64.143 62.300 -0.670 0.000 1.066 123 V CB -0.889 30.552 31.823 -0.636 0.000 0.667 123 V HN 0.745 nan 8.190 nan 0.000 0.461 124 A N 0.120 122.700 122.820 -0.400 0.000 2.019 124 A HA -0.246 4.162 4.320 0.146 0.000 0.219 124 A C 2.035 179.526 177.584 -0.154 0.000 1.164 124 A CA 2.066 53.995 52.037 -0.179 0.000 0.644 124 A CB -0.707 18.290 19.000 -0.004 0.000 0.805 124 A HN 0.584 nan 8.150 nan 0.000 0.449 125 N N 0.101 118.691 118.700 -0.183 0.000 2.409 125 N HA 0.039 4.867 4.740 0.146 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 4.312 4.320 0.146 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 -0.664 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 4.315 4.340 0.146 0.000 0.215 127 L C 1.161 177.995 176.870 -0.060 0.000 1.119 127 L CA 0.880 55.673 54.840 -0.079 0.000 0.790 127 L CB -0.398 41.614 42.059 -0.079 0.000 0.919 127 L HN 0.465 nan 8.230 nan 0.000 0.443 128 N N -0.029 118.634 118.700 -0.062 0.000 2.280 128 N HA 0.105 4.933 4.740 0.146 0.000 0.192 128 N C 0.518 176.000 175.510 -0.048 0.000 1.109 128 N CA 0.153 53.174 53.050 -0.049 0.000 0.855 128 N CB 0.429 38.888 38.487 -0.046 0.000 0.974 128 N HN 0.101 nan 8.380 nan 0.000 0.482 129 A N 0.890 123.677 122.820 -0.055 0.000 2.304 129 A HA 0.240 4.647 4.320 0.146 0.000 0.271 129 A C -0.203 177.358 177.584 -0.038 0.000 1.091 129 A CA -0.368 51.639 52.037 -0.050 0.000 0.812 129 A CB 0.448 19.412 19.000 -0.060 0.000 1.056 129 A HN 0.074 nan 8.150 nan 0.000 0.489 130 D N 1.527 121.909 120.400 -0.030 0.000 2.359 130 D HA 0.324 5.051 4.640 0.146 0.000 0.230 130 D C -1.481 174.806 176.300 -0.021 0.000 1.118 130 D CA -2.062 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 0.128 nan 8.370 nan 0.000 0.493 131 P HA -0.181 nan 4.420 nan 0.000 0.218 131 P C 0.990 178.283 177.300 -0.012 0.000 1.148 131 P CA 1.054 64.142 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 0.613 123.428 122.820 -0.009 0.000 1.968 132 A HA -0.136 4.272 4.320 0.146 0.000 0.217 132 A C 2.364 179.946 177.584 -0.003 0.000 1.169 132 A CA 1.733 53.768 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 0.247 nan 8.150 nan 0.000 0.446 133 K N -0.241 120.155 120.400 -0.006 0.000 2.167 133 K HA 0.139 4.546 4.320 0.146 0.000 0.203 133 K C 1.978 178.576 176.600 -0.003 0.000 1.052 133 K CA 1.092 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 1.325 124.138 122.820 -0.011 0.000 1.873 134 A HA 0.000 4.408 4.320 0.146 0.000 0.215 134 A C 2.402 179.983 177.584 -0.006 0.000 1.186 134 A CA 1.563 53.591 52.037 -0.015 0.000 0.616 134 A CB -0.868 18.113 19.000 -0.031 0.000 0.823 134 A HN 0.465 nan 8.150 nan 0.000 0.442 135 A N -0.226 122.592 122.820 -0.002 0.000 1.972 135 A HA -0.152 4.256 4.320 0.146 0.000 0.219 135 A C 2.233 179.825 177.584 0.013 0.000 1.169 135 A CA 1.483 53.525 52.037 0.008 0.000 0.635 135 A CB -0.433 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 -0.070 4.358 4.340 0.146 0.000 0.232 136 R C 2.095 178.405 176.300 0.017 0.000 1.126 136 R CA 1.305 57.412 56.100 0.012 0.000 0.963 136 R CB -0.513 29.793 30.300 0.009 0.000 0.858 136 R HN 0.487 nan 8.270 nan 0.000 0.435 137 L N 0.980 122.214 121.223 0.019 0.000 2.046 137 L HA -0.055 4.373 4.340 0.146 0.000 0.208 137 L C 2.209 179.100 176.870 0.035 0.000 1.077 137 L CA 1.913 56.770 54.840 0.029 0.000 0.747 137 L CB -0.856 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 -0.300 122.541 122.820 0.034 0.000 1.908 138 A HA -0.235 4.173 4.320 0.146 0.000 0.218 138 A C 2.057 179.672 177.584 0.051 0.000 1.181 138 A CA 1.948 54.016 52.037 0.052 0.000 0.627 138 A CB -0.811 18.217 19.000 0.047 0.000 0.818 138 A HN 0.627 nan 8.150 nan 0.000 0.445 139 N N 0.098 118.819 118.700 0.035 0.000 2.459 139 N HA -0.080 4.748 4.740 0.146 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 -0.271 120.140 120.400 0.018 0.000 2.350 140 D HA 0.148 4.876 4.640 0.146 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 0.445 41.250 40.800 0.009 0.000 0.926 140 D HN 0.208 nan 8.370 nan 0.000 0.520 141 L N -0.362 120.871 121.223 0.016 0.000 2.298 141 L HA 0.133 4.561 4.340 0.146 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 -2.201 113.500 115.700 0.001 0.000 2.685 142 S HA 0.489 5.046 4.470 0.146 0.000 0.282 142 S C -2.433 172.159 174.600 -0.013 0.000 1.159 142 S CA -0.972 57.217 58.200 -0.018 0.000 0.833 142 S CB 1.417 64.596 63.200 -0.033 0.000 1.151 142 S HN -0.223 nan 8.310 nan 0.000 0.485 143 P HA 0.234 nan 4.420 nan 0.000 0.249 143 P C -0.357 176.936 177.300 -0.012 0.000 1.229 143 P CA 0.242 63.331 63.100 -0.018 0.000 0.788 143 P CB 0.011 31.696 31.700 -0.026 0.000 1.072 144 K N 1.212 121.605 120.400 -0.011 0.000 2.227 144 K HA 0.228 4.636 4.320 0.146 0.000 0.280 144 K C -0.429 176.181 176.600 0.017 0.000 1.041 144 K CA -0.688 55.599 56.287 -0.001 0.000 0.905 144 K CB 0.513 33.005 32.500 -0.014 0.000 1.068 144 K HN -0.304 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 4.520 4.320 0.146 0.000 0.284 145 K C -0.860 175.762 176.600 0.037 0.000 1.044 145 K CA 0.247 56.548 56.287 0.024 0.000 0.974 145 K CB 1.205 33.715 32.500 0.017 0.000 0.962 145 K HN 0.510 nan 8.250 nan 0.000 0.474 146 T N 1.868 116.448 114.554 0.043 0.000 2.859 146 T HA 0.409 4.847 4.350 0.146 0.000 0.281 146 T C -0.232 174.488 174.700 0.034 0.000 1.005 146 T CA -0.927 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 -0.926 113.647 114.554 0.031 0.000 2.918 147 T HA 0.375 4.812 4.350 0.146 0.000 0.286 147 T C 1.375 176.085 174.700 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 1.771 116.331 114.554 0.009 0.000 2.684 148 T HA -0.108 4.329 4.350 0.146 0.000 0.267 148 T C 1.633 176.335 174.700 0.003 0.000 1.036 148 T CA 1.927 64.029 62.100 0.004 0.000 1.148 148 T CB -0.428 68.441 68.868 0.001 0.000 0.863 148 T HN 0.776 nan 8.240 nan 0.000 0.436 149 E N 1.752 121.955 120.200 0.005 0.000 2.058 149 E HA -0.134 4.303 4.350 0.146 0.000 0.194 149 E C 2.560 179.164 176.600 0.007 0.000 0.997 149 E CA 1.554 57.957 56.400 0.005 0.000 0.801 149 E CB -0.634 29.070 29.700 0.006 0.000 0.746 149 E HN 0.655 nan 8.360 nan 0.000 0.450 150 S N 0.469 116.178 115.700 0.014 0.000 2.382 150 S HA -0.123 4.434 4.470 0.146 0.000 0.228 150 S C 2.019 176.628 174.600 0.015 0.000 1.027 150 S CA 0.868 59.080 58.200 0.020 0.000 0.991 150 S CB -0.473 62.746 63.200 0.032 0.000 0.823 150 S HN 0.185 nan 8.310 nan 0.000 0.469 151 L N 0.857 122.085 121.223 0.008 0.000 2.056 151 L HA -0.012 4.416 4.340 0.146 0.000 0.207 151 L C 2.873 179.735 176.870 -0.012 0.000 1.078 151 L CA 1.435 56.272 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 0.348 nan 8.230 nan 0.000 0.433 152 K N 0.077 120.471 120.400 -0.009 0.000 2.103 152 K HA -0.176 4.231 4.320 0.146 0.000 0.207 152 K C 2.165 178.758 176.600 -0.012 0.000 1.048 152 K CA 1.395 57.674 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 0.831 123.648 122.820 -0.005 0.000 1.898 153 A HA -0.108 4.300 4.320 0.146 0.000 0.216 153 A C 2.297 179.878 177.584 -0.006 0.000 1.181 153 A CA 1.303 53.338 52.037 -0.003 0.000 0.620 153 A CB -0.485 18.518 19.000 0.004 0.000 0.819 153 A HN 0.077 nan 8.150 nan 0.000 0.442 154 V N -0.269 119.641 119.914 -0.007 0.000 2.515 154 V HA -0.272 3.936 4.120 0.146 0.000 0.250 154 V C 2.583 178.657 176.094 -0.034 0.000 1.058 154 V CA 2.112 64.404 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 -0.378 119.400 119.800 -0.037 0.000 2.167 155 Q HA -0.114 4.314 4.340 0.146 0.000 0.202 155 Q C 2.241 178.216 176.000 -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 0.250 123.053 122.820 -0.029 0.000 2.016 156 A HA -0.110 4.297 4.320 0.146 0.000 0.217 156 A C 1.790 179.361 177.584 -0.021 0.000 1.162 156 A CA 0.906 52.929 52.037 -0.022 0.000 0.662 156 A CB -0.080 18.912 19.000 -0.014 0.000 0.812 156 A HN 0.172 nan 8.150 nan 0.000 0.450 157 K N -0.435 119.952 120.400 -0.022 0.000 2.031 157 K HA -0.035 4.373 4.320 0.146 0.000 0.205 157 K C 1.858 178.439 176.600 -0.032 0.000 1.049 157 K CA 1.355 57.632 56.287 -0.016 0.000 0.939 157 K CB -0.237 32.259 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 3.945 4.120 0.146 0.000 0.247 158 V C 2.269 178.317 176.094 -0.076 0.000 1.051 158 V CA 1.668 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 4.264 4.320 0.146 0.000 0.207 159 K C 2.273 178.857 176.600 -0.027 0.000 1.049 159 K CA 1.426 57.689 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 1.196 124.004 122.820 -0.020 0.000 1.940 160 A HA -0.176 4.231 4.320 0.146 0.000 0.219 160 A C 2.033 179.615 177.584 -0.004 0.000 1.176 160 A CA 1.369 53.401 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 4.398 4.340 0.146 0.000 0.205 161 L C 2.343 179.216 176.870 0.006 0.000 1.079 161 L CA 1.520 56.365 54.840 0.007 0.000 0.752 161 L CB -0.298 41.769 42.059 0.014 0.000 0.906 161 L HN 0.109 nan 8.230 nan 0.000 0.436 162 V N -0.004 119.900 119.914 -0.016 0.000 2.407 162 V HA -0.280 3.928 4.120 0.146 0.000 0.248 162 V C 2.545 178.637 176.094 -0.003 0.000 1.055 162 V CA 2.063 64.354 62.300 -0.014 0.000 1.049 162 V CB -0.557 31.245 31.823 -0.036 0.000 0.662 162 V HN 0.581 nan 8.190 nan 0.000 0.455 163 E N 0.178 120.374 120.200 -0.006 0.000 2.409 163 E HA -0.159 4.279 4.350 0.146 0.000 0.198 163 E C 2.133 178.735 176.600 0.003 0.000 1.024 163 E CA 1.186 57.584 56.400 -0.003 0.000 0.861 163 E CB 0.046 29.742 29.700 -0.005 0.000 0.788 163 E HN 0.770 nan 8.360 nan 0.000 0.521 164 S N -1.654 114.051 115.700 0.008 0.000 2.486 164 S HA 0.159 4.717 4.470 0.146 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 0.521 63.731 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 3.783 3.960 0.146 0.000 0.261 165 G HA3 -0.264 3.783 3.960 0.146 0.000 0.261 165 G C -0.062 174.855 174.900 0.028 0.000 0.980 165 G CA 0.271 45.383 45.100 0.020 0.000 0.632 165 G HN 0.632 nan 8.290 nan 0.000 0.533 166 Q N 0.356 120.176 119.800 0.033 0.000 2.509 166 Q HA 0.608 5.035 4.340 0.146 0.000 0.230 166 Q C 1.452 177.492 176.000 0.067 0.000 1.089 166 Q CA -0.554 55.273 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 0.417 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 -0.037 4.391 4.340 0.146 0.000 0.219 167 L C 1.374 178.355 176.870 0.186 0.000 1.133 167 L CA 0.789 55.723 54.840 0.156 0.000 0.816 167 L CB -0.722 41.426 42.059 0.148 0.000 0.933 167 L HN 0.980 nan 8.230 nan 0.000 0.449 168 G N 2.299 111.148 108.800 0.082 0.000 2.634 168 G HA2 -0.450 3.598 3.960 0.146 0.000 0.318 168 G HA3 -0.450 3.598 3.960 0.146 0.000 0.318 168 G C 0.722 175.584 174.900 -0.062 0.000 1.207 168 G CA 0.664 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 -1.513 118.939 120.570 -0.198 0.000 3.334 169 I HA 0.374 4.632 4.170 0.146 0.000 0.282 169 I C 1.928 177.691 176.117 -0.590 0.000 1.313 169 I CA 1.561 62.630 61.300 -0.385 0.000 1.396 169 I CB -0.357 37.403 38.000 -0.400 0.000 1.054 169 I HN 0.208 nan 8.210 nan 0.000 0.495 170 F N 0.844 120.782 119.950 -0.020 0.000 2.727 170 F HA 0.243 4.859 4.527 0.150 0.000 0.302 170 F C 1.222 176.957 175.800 -0.108 0.000 1.097 170 F CA -0.252 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 4.349 4.350 0.146 0.000 0.288 171 T C 0.524 175.192 174.700 -0.054 0.000 0.991 171 T CA 0.346 62.444 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 -0.814 117.856 118.700 -0.050 0.000 2.782 172 N HA -0.170 4.657 4.740 0.146 0.000 0.251 172 N C 0.270 175.694 175.510 -0.143 0.000 1.101 172 N CA 0.866 53.882 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 0.961 nan 8.380 nan 0.000 0.561 173 A N -0.252 122.406 122.820 -0.270 0.000 2.555 173 A HA 0.150 4.558 4.320 0.146 0.000 0.233 173 A C 1.149 178.469 177.584 -0.440 0.000 1.060 173 A CA 0.197 51.899 52.037 -0.558 0.000 0.759 173 A CB 0.092 18.416 19.000 -1.127 0.000 0.995 173 A HN 0.220 nan 8.150 nan 0.000 0.506 174 Y N 1.254 121.316 120.300 -0.395 0.000 2.403 174 Y HA -0.147 4.492 4.550 0.148 0.000 0.291 174 Y C 1.666 177.464 175.900 -0.171 0.000 1.143 174 Y CA 1.645 59.660 58.100 -0.141 0.000 1.257 174 Y CB -0.864 37.621 38.460 0.041 0.000 0.984 174 Y HN 0.786 nan 8.280 nan 0.000 0.550 175 F N -1.846 118.037 119.950 -0.113 0.000 2.765 175 F HA 0.266 4.879 4.527 0.143 0.000 0.302 175 F C 0.311 176.020 175.800 -0.151 0.000 1.111 175 F CA -0.929 56.823 58.000 -0.413 0.000 1.359 175 F CB -1.245 37.207 39.000 -0.913 0.000 1.097 175 F HN -0.287 nan 8.300 nan 0.000 0.577 176 L N 2.366 123.513 121.223 -0.127 0.000 2.534 176 L HA 0.293 4.720 4.340 0.146 0.000 0.271 176 L C 1.347 178.239 176.870 0.036 0.000 1.178 176 L CA 0.646 55.478 54.840 -0.014 0.000 0.907 176 L CB -0.089 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 2.537 111.369 108.800 0.054 0.000 2.221 177 G HA2 -0.017 4.031 3.960 0.146 0.000 0.265 177 G HA3 -0.017 4.031 3.960 0.146 0.000 0.265 177 G C 0.566 175.497 174.900 0.052 0.000 1.041 177 G CA 0.280 45.405 45.100 0.041 0.000 0.807 177 G HN 1.414 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 4.371 3.960 0.146 0.000 0.686 178 G HA3 0.323 4.371 3.960 0.146 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 2.239 nan 8.290 nan 0.000 0.591 179 H N 3.294 122.432 119.070 0.112 0.000 3.087 179 H HA 0.417 5.062 4.556 0.148 0.000 0.348 179 H C -1.890 173.586 175.328 0.246 0.000 1.092 179 H CA -0.978 55.184 56.048 0.191 0.000 1.285 179 H CB 2.256 32.193 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 0.878 178.431 177.300 0.422 0.000 1.145 180 P CA 1.345 64.608 63.100 0.271 0.000 0.795 180 P CB 0.110 31.875 31.700 0.107 0.000 0.775 181 A N -2.277 120.957 122.820 0.691 0.000 2.238 181 A HA 0.043 4.450 4.320 0.146 0.000 0.210 181 A C 0.262 178.006 177.584 0.268 0.000 1.179 181 A CA 0.029 52.298 52.037 0.387 0.000 0.827 181 A CB -0.752 18.386 19.000 0.229 0.000 0.856 181 A HN 0.080 nan 8.150 nan 0.000 0.488 182 Y N 0.147 120.619 120.300 0.286 0.000 2.518 182 Y HA 0.358 4.995 4.550 0.144 0.000 0.344 182 Y C 1.009 177.019 175.900 0.183 0.000 0.982 182 Y CA -0.405 57.845 58.100 0.250 0.000 1.234 182 Y CB 1.334 39.897 38.460 0.172 0.000 1.114 182 Y HN 0.083 nan 8.280 nan 0.000 0.515 183 V N 1.547 121.595 119.914 0.223 0.000 3.319 183 V HA 0.339 4.547 4.120 0.146 0.000 0.317 183 V C 0.165 176.167 176.094 -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 1.436 122.554 121.223 -0.174 0.000 2.436 184 L HA 0.440 4.868 4.340 0.146 0.000 0.265 184 L C -1.943 174.719 176.870 -0.347 0.000 1.168 184 L CA -1.626 52.933 54.840 -0.468 0.000 0.815 184 L CB 0.123 41.995 42.059 -0.313 0.000 1.109 184 L HN 0.097 nan 8.230 nan 0.000 0.462 185 P HA 0.008 nan 4.420 nan 0.000 0.269 185 P C 0.033 177.226 177.300 -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 2.501 125.251 122.820 -0.116 0.000 2.076 186 A HA -0.211 4.197 4.320 0.146 0.000 0.220 186 A C 1.783 179.310 177.584 -0.096 0.000 1.160 186 A CA 1.660 53.636 52.037 -0.101 0.000 0.653 186 A CB -0.842 18.112 19.000 -0.077 0.000 0.801 186 A HN 0.536 nan 8.150 nan 0.000 0.455 187 E N -0.746 119.402 120.200 -0.086 0.000 2.112 187 E HA -0.026 4.412 4.350 0.146 0.000 0.190 187 E C 1.928 178.488 176.600 -0.068 0.000 0.979 187 E CA 1.004 57.365 56.400 -0.065 0.000 0.814 187 E CB -0.204 29.472 29.700 -0.039 0.000 0.762 187 E HN 0.350 nan 8.360 nan 0.000 0.460 188 V N 1.511 121.369 119.914 -0.092 0.000 2.488 188 V HA -0.178 4.030 4.120 0.146 0.000 0.246 188 V C 1.378 177.427 176.094 -0.074 0.000 1.046 188 V CA 1.593 63.851 62.300 -0.070 0.000 1.053 188 V CB -0.364 31.384 31.823 -0.124 0.000 0.679 188 V HN 0.236 nan 8.190 nan 0.000 0.458 189 D N 0.167 120.504 120.400 -0.105 0.000 2.218 189 D HA -0.153 4.575 4.640 0.146 0.000 0.204 189 D C 1.947 178.181 176.300 -0.109 0.000 0.976 189 D CA 1.281 55.216 54.000 -0.107 0.000 0.853 189 D CB 0.155 40.870 40.800 -0.143 0.000 0.939 189 D HN 0.444 nan 8.370 nan 0.000 0.481 190 L N -0.102 121.060 121.223 -0.102 0.000 2.249 190 L HA 0.107 4.535 4.340 0.146 0.000 0.207 190 L C 2.026 178.828 176.870 -0.114 0.000 1.090 190 L CA 0.705 55.485 54.840 -0.101 0.000 0.802 190 L CB -0.004 42.003 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 4.008 4.170 0.146 0.000 0.242 191 I C 2.623 178.539 176.117 -0.335 0.000 1.091 191 I CA 1.215 62.362 61.300 -0.256 0.000 1.368 191 I CB -0.507 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 0.039 122.795 122.820 -0.106 0.000 1.978 192 A HA -0.202 4.206 4.320 0.146 0.000 0.220 192 A C 2.322 179.961 177.584 0.093 0.000 1.170 192 A CA 2.395 54.472 52.037 0.066 0.000 0.636 192 A CB -0.955 18.104 19.000 0.097 0.000 0.810 192 A HN 0.405 nan 8.150 nan 0.000 0.448 193 T N -0.189 114.357 114.554 -0.014 0.000 2.896 193 T HA 0.140 4.578 4.350 0.146 0.000 0.263 193 T C 2.185 176.914 174.700 0.049 0.000 1.050 193 T CA 1.119 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 0.565 nan 8.240 nan 0.000 0.457 194 A N 0.946 123.764 122.820 -0.004 0.000 1.969 194 A HA -0.103 4.305 4.320 0.146 0.000 0.218 194 A C 1.877 179.576 177.584 0.193 0.000 1.169 194 A CA 1.272 53.340 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 -3.506 115.629 119.070 0.109 0.000 2.436 195 H HA -0.084 4.559 4.556 0.145 0.000 0.294 195 H C 1.979 177.223 175.328 -0.139 0.000 1.048 195 H CA 1.255 57.327 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 4.423 4.550 0.153 0.000 0.288 196 Y C 1.992 177.951 175.900 0.097 0.000 1.146 196 Y CA 1.217 59.338 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 -0.104 121.342 121.223 0.373 0.000 2.093 197 L HA -0.151 4.276 4.340 0.146 0.000 0.208 197 L C 2.565 179.476 176.870 0.069 0.000 1.085 197 L CA 1.705 56.683 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 0.418 120.649 120.200 0.052 0.000 2.077 198 E HA -0.228 4.209 4.350 0.146 0.000 0.193 198 E C 2.261 178.710 176.600 -0.252 0.000 0.989 198 E CA 1.086 57.463 56.400 -0.038 0.000 0.800 198 E CB -0.018 29.736 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 4.264 4.320 0.146 0.000 0.219 199 A C 2.098 179.589 177.584 -0.155 0.000 1.164 199 A CA 0.805 52.609 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 -1.172 119.990 121.223 -0.101 0.000 2.141 200 L HA -0.141 4.286 4.340 0.146 0.000 0.209 200 L C 2.713 179.489 176.870 -0.156 0.000 1.094 200 L CA 0.876 55.599 54.840 -0.196 0.000 0.763 200 L CB -0.300 41.622 42.059 -0.228 0.000 0.908 200 L HN 0.316 nan 8.230 nan 0.000 0.437 201 R N -0.832 119.571 120.500 -0.160 0.000 2.112 201 R HA 0.016 4.444 4.340 0.146 0.000 0.216 201 R C 2.164 178.351 176.300 -0.189 0.000 1.080 201 R CA 0.781 56.793 56.100 -0.147 0.000 0.996 201 R CB -0.636 29.589 30.300 -0.125 0.000 0.902 201 R HN 0.211 nan 8.270 nan 0.000 0.449 202 V N 2.466 122.191 119.914 -0.315 0.000 2.307 202 V HA -0.281 3.926 4.120 0.146 0.000 0.245 202 V C 2.534 178.514 176.094 -0.190 0.000 1.045 202 V CA 2.136 64.222 62.300 -0.357 0.000 1.024 202 V CB -0.730 30.633 31.823 -0.766 0.000 0.651 202 V HN 0.321 nan 8.190 nan 0.000 0.449 203 Q N 0.656 120.360 119.800 -0.159 0.000 2.248 203 Q HA -0.182 4.245 4.340 0.146 0.000 0.208 203 Q C 1.821 177.878 176.000 0.095 0.000 0.984 203 Q CA 2.421 58.197 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 3.987 4.120 0.146 0.000 0.248 204 V C 2.144 178.228 176.094 -0.016 0.000 1.051 204 V CA 2.184 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 0.208 120.584 120.400 -0.039 0.000 2.155 205 K HA -0.018 4.390 4.320 0.146 0.000 0.203 205 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 0.948 205 K CB -0.317 32.134 32.500 -0.083 0.000 0.728 205 K HN 0.460 nan 8.250 nan 0.000 0.448 206 A N 1.474 124.307 122.820 0.023 0.000 1.930 206 A HA -0.046 4.361 4.320 0.146 0.000 0.217 206 A C 2.324 179.928 177.584 0.033 0.000 1.175 206 A CA 1.666 53.752 52.037 0.082 0.000 0.627 206 A CB -0.475 18.668 19.000 0.239 0.000 0.815 206 A HN 0.306 nan 8.150 nan 0.000 0.443 207 A N -0.220 122.598 122.820 -0.003 0.000 1.929 207 A HA -0.068 4.339 4.320 0.146 0.000 0.216 207 A C 2.231 179.749 177.584 -0.111 0.000 1.176 207 A CA 1.455 53.390 52.037 -0.171 0.000 0.628 207 A CB -0.434 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 -0.210 120.241 120.500 -0.083 0.000 2.092 208 R HA -0.032 4.395 4.340 0.146 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 29.882 30.300 -0.077 0.000 0.864 208 R HN 0.390 nan 8.270 nan 0.000 0.440 209 A N 1.329 124.068 122.820 -0.136 0.000 1.898 209 A HA -0.190 4.217 4.320 0.146 0.000 0.216 209 A C 2.209 179.783 177.584 -0.017 0.000 1.181 209 A CA 1.500 53.404 52.037 -0.222 0.000 0.620 209 A CB -0.539 18.189 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 -0.063 4.504 4.480 0.146 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 0.171 122.925 122.820 -0.111 0.000 2.119 211 A HA -0.007 4.400 4.320 0.146 0.000 0.217 211 A C 1.911 179.392 177.584 -0.172 0.000 1.153 211 A CA 0.965 52.924 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 -1.792 118.649 120.570 -0.215 0.000 2.202 212 I HA -0.195 4.062 4.170 0.146 0.000 0.242 212 I C 2.006 177.807 176.117 -0.526 0.000 1.091 212 I CA 1.284 62.372 61.300 -0.354 0.000 1.368 212 I CB -0.190 37.593 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 -0.203 0.000 2.270 213 F HA 0.109 4.721 4.527 0.141 0.000 0.295 213 F C 2.435 177.741 175.800 -0.824 0.000 1.087 213 F CA 0.878 58.610 58.000 -0.446 0.000 1.365 213 F CB -1.267 37.417 39.000 -0.526 0.000 1.056 213 F HN -0.049 nan 8.300 nan 0.000 0.506 214 G N -1.155 107.273 108.800 -0.619 0.000 2.920 214 G HA2 0.276 4.323 3.960 0.146 0.000 0.208 214 G HA3 0.276 4.323 3.960 0.146 0.000 0.208 214 G C 1.384 176.161 174.900 -0.204 0.000 1.159 214 G CA 0.812 45.501 45.100 -0.684 0.000 0.784 214 G HN 0.507 nan 8.290 nan 0.000 0.535 215 A N -0.719 122.030 122.820 -0.119 0.000 1.475 215 A HA -0.183 4.224 4.320 0.146 0.000 0.222 215 A C 0.857 178.429 177.584 -0.019 0.000 0.487 215 A CA 1.899 53.929 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 -0.628 119.766 120.400 -0.009 0.000 2.579 216 K HA 0.658 5.066 4.320 0.146 0.000 0.284 216 K C -1.026 175.567 176.600 -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 1.198 119.876 118.700 -0.037 0.000 2.500 217 N HA 0.411 5.239 4.740 0.146 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 0.330 nan 4.420 nan 0.000 0.276 218 P C -1.280 176.001 177.300 -0.032 0.000 1.252 218 P CA 0.086 63.108 63.100 -0.131 0.000 0.802 218 P CB 0.380 31.902 31.700 -0.297 0.000 1.035 219 H N -1.694 117.426 119.070 0.082 0.000 3.101 219 H HA -0.101 4.541 4.556 0.144 0.000 0.350 219 H C 0.092 175.503 175.328 0.137 0.000 1.157 219 H CA 0.301 56.418 56.048 0.115 0.000 1.141 219 H CB -2.241 27.573 29.762 0.086 0.000 1.595 219 H HN 0.628 nan 8.280 nan 0.000 0.406 220 T N -1.071 113.668 114.554 0.308 0.000 2.856 220 T HA 0.228 4.666 4.350 0.146 0.000 0.329 220 T C 0.713 175.617 174.700 0.340 0.000 1.094 220 T CA -0.048 62.229 62.100 0.296 0.000 1.112 220 T CB 1.765 70.842 68.868 0.350 0.000 1.009 220 T HN 0.610 nan 8.240 nan 0.000 0.550 221 Q N 1.239 121.257 119.800 0.363 0.000 3.966 221 Q HA 0.374 4.801 4.340 0.146 0.000 0.198 221 Q C -0.987 175.229 176.000 0.360 0.000 0.872 221 Q CA -0.532 55.458 55.803 0.313 0.000 0.767 221 Q CB 0.209 29.073 28.738 0.210 0.000 1.516 221 Q HN 0.847 nan 8.270 nan 0.000 0.434 222 F N -1.947 118.064 119.950 0.102 0.000 3.021 222 F HA 0.326 4.936 4.527 0.139 0.000 0.376 222 F C -0.130 175.711 175.800 0.067 0.000 1.075 222 F CA 0.056 58.097 58.000 0.069 0.000 1.073 222 F CB 0.076 39.105 39.000 0.049 0.000 1.243 222 F HN 0.005 nan 8.300 nan 0.000 0.540 223 T N 1.421 115.594 114.554 -0.635 0.000 2.902 223 T HA 0.789 5.226 4.350 0.146 0.000 0.283 223 T C -0.351 174.230 174.700 -0.198 0.000 1.009 223 T CA -0.051 61.691 62.100 -0.595 0.000 1.051 223 T CB 2.073 70.604 68.868 -0.562 0.000 0.999 223 T HN 0.796 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 4.919 4.120 0.146 0.000 0.305 224 V C -0.320 175.749 176.094 -0.042 0.000 1.232 224 V CA -1.387 60.922 62.300 0.015 0.000 1.043 224 V CB 1.454 33.387 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 4.769 4.120 0.146 0.000 0.281 225 V C 1.531 177.436 176.094 -0.316 0.000 1.031 225 V CA 1.729 63.825 62.300 -0.341 0.000 1.038 225 V CB -0.145 31.303 31.823 -0.625 0.000 0.981 225 V HN 1.883 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 4.233 3.960 0.146 0.000 0.209 226 G HA3 0.186 4.233 3.960 0.146 0.000 0.209 226 G C 0.553 175.272 174.900 -0.301 0.000 0.997 226 G CA -0.071 44.789 45.100 -0.400 0.000 0.640 226 G HN 1.833 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 4.480 3.960 0.146 0.000 0.109 227 G HA3 0.432 4.480 3.960 0.146 0.000 0.109 227 G C -0.652 174.219 174.900 -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 -0.483 118.801 119.300 -0.026 0.000 2.971 228 C HA 0.792 5.339 4.460 0.146 0.000 0.310 228 C C 1.538 176.468 174.990 -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 -0.090 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 -0.097 0.000 2.971 229 T HA 0.066 4.503 4.350 0.146 0.000 0.252 229 T C 0.409 175.013 174.700 -0.161 0.000 1.022 229 T CA 0.299 62.327 62.100 -0.120 0.000 0.980 229 T CB -0.325 68.557 68.868 0.023 0.000 1.044 229 T HN 0.526 nan 8.240 nan 0.000 0.501 230 N N 1.323 119.997 118.700 -0.045 0.000 2.671 230 N HA 0.145 4.973 4.740 0.146 0.000 0.274 230 N C -0.222 175.257 175.510 -0.052 0.000 1.188 230 N CA -0.378 52.690 53.050 0.030 0.000 1.065 230 N CB -0.396 38.201 38.487 0.183 0.000 1.415 230 N HN 0.414 nan 8.380 nan 0.000 0.511 231 Y N 0.142 120.498 120.300 0.093 0.000 2.395 231 Y HA -0.046 4.593 4.550 0.148 0.000 0.293 231 Y C 1.976 177.913 175.900 0.062 0.000 1.123 231 Y CA 0.438 58.581 58.100 0.071 0.000 1.227 231 Y CB 0.005 38.495 38.460 0.049 0.000 1.012 231 Y HN 0.415 nan 8.280 nan 0.000 0.552 232 D N -0.108 120.403 120.400 0.186 0.000 2.144 232 D HA -0.185 4.543 4.640 0.146 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 -0.112 40.736 40.800 0.080 0.000 0.955 232 D HN 0.237 nan 8.370 nan 0.000 0.465 233 S N -0.875 114.874 115.700 0.080 0.000 2.561 233 S HA -0.041 4.516 4.470 0.146 0.000 0.225 233 S C 1.605 176.277 174.600 0.120 0.000 0.977 233 S CA -0.020 58.215 58.200 0.059 0.000 0.926 233 S CB -0.194 63.030 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 0.306 4.733 4.340 0.146 0.000 0.232 234 L C 0.920 177.843 176.870 0.088 0.000 1.149 234 L CA 0.478 55.387 54.840 0.115 0.000 0.872 234 L CB -0.868 41.269 42.059 0.129 0.000 0.992 234 L HN 0.296 nan 8.230 nan 0.000 0.447 235 R N -0.090 120.453 120.500 0.073 0.000 2.441 235 R HA 0.158 4.585 4.340 0.146 0.000 0.284 235 R C -1.346 174.982 176.300 0.047 0.000 1.070 235 R CA -1.581 54.551 56.100 0.054 0.000 1.047 235 R CB -0.115 30.210 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 1.330 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 -0.385 119.832 120.200 0.030 0.000 2.038 237 E HA -0.170 4.267 4.350 0.146 0.000 0.195 237 E C 2.019 178.631 176.600 0.020 0.000 1.000 237 E CA 1.177 57.591 56.400 0.023 0.000 0.803 237 E CB -0.979 28.730 29.700 0.015 0.000 0.750 237 E HN 0.187 nan 8.360 nan 0.000 0.448 238 R N 0.202 120.709 120.500 0.011 0.000 2.193 238 R HA 0.018 4.446 4.340 0.146 0.000 0.229 238 R C 2.321 178.617 176.300 -0.006 0.000 1.110 238 R CA 0.748 56.837 56.100 -0.018 0.000 0.988 238 R CB -0.451 29.822 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 -0.096 4.161 4.170 0.146 0.000 0.255 239 I C 2.357 178.559 176.117 0.142 0.000 1.145 239 I CA 0.614 61.968 61.300 0.091 0.000 1.462 239 I CB -0.216 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 0.419 123.298 122.820 0.098 0.000 1.877 240 A HA -0.238 4.170 4.320 0.146 0.000 0.216 240 A C 2.227 179.869 177.584 0.097 0.000 1.186 240 A CA 1.631 53.723 52.037 0.092 0.000 0.620 240 A CB -0.567 18.468 19.000 0.057 0.000 0.822 240 A HN 0.374 nan 8.150 nan 0.000 0.443 241 E N -1.354 118.889 120.200 0.071 0.000 2.038 241 E HA -0.221 4.217 4.350 0.146 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 -0.270 29.434 29.700 0.007 0.000 0.750 241 E HN 0.643 nan 8.360 nan 0.000 0.448 242 F N 1.522 121.431 119.950 -0.068 0.000 2.102 242 F HA -0.180 4.432 4.527 0.142 0.000 0.298 242 F C 2.466 178.308 175.800 0.070 0.000 1.105 242 F CA 1.774 59.736 58.000 -0.063 0.000 1.239 242 F CB -0.205 38.688 39.000 -0.179 0.000 0.991 242 F HN -0.168 nan 8.300 nan 0.000 0.474 243 R N 0.687 121.426 120.500 0.398 0.000 2.083 243 R HA -0.194 4.233 4.340 0.146 0.000 0.237 243 R C 2.475 178.888 176.300 0.188 0.000 1.137 243 R CA 1.785 58.098 56.100 0.355 0.000 0.951 243 R CB -0.381 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 0.400 120.852 120.400 0.088 0.000 2.009 244 K HA -0.161 4.246 4.320 0.146 0.000 0.210 244 K C 2.213 178.793 176.600 -0.033 0.000 1.049 244 K CA 1.642 57.943 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 -0.125 121.052 121.223 -0.077 0.000 2.017 245 L HA -0.228 4.200 4.340 0.146 0.000 0.208 245 L C 2.541 179.330 176.870 -0.135 0.000 1.073 245 L CA 1.335 56.100 54.840 -0.125 0.000 0.745 245 L CB -0.702 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 1.310 121.425 120.300 -0.307 0.000 2.081 246 Y HA -0.321 4.314 4.550 0.143 0.000 0.280 246 Y C 2.485 178.331 175.900 -0.089 0.000 1.163 246 Y CA 1.631 59.580 58.100 -0.251 0.000 1.135 246 Y CB -0.310 37.989 38.460 -0.269 0.000 0.970 246 Y HN 0.015 nan 8.280 nan 0.000 0.498 247 K N 0.054 120.221 120.400 -0.390 0.000 2.026 247 K HA -0.204 4.204 4.320 0.146 0.000 0.208 247 K C 2.061 178.518 176.600 -0.240 0.000 1.048 247 K CA 1.889 57.937 56.287 -0.398 0.000 0.929 247 K CB -0.305 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 4.242 4.350 0.146 0.000 0.197 248 E C 2.019 178.586 176.600 -0.056 0.000 1.004 248 E CA 1.609 57.962 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 0.665 120.530 119.914 -0.082 0.000 2.358 249 V HA -0.233 3.975 4.120 0.146 0.000 0.246 249 V C 2.362 178.471 176.094 0.025 0.000 1.047 249 V CA 1.773 64.069 62.300 -0.007 0.000 1.035 249 V CB -0.507 31.312 31.823 -0.007 0.000 0.658 249 V HN 0.217 nan 8.190 nan 0.000 0.452 250 R N 0.099 120.510 120.500 -0.148 0.000 2.083 250 R HA -0.236 4.192 4.340 0.146 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 29.822 30.300 -0.445 0.000 0.851 250 R HN 0.601 nan 8.270 nan 0.000 0.434 251 E N -0.616 119.545 120.200 -0.065 0.000 2.085 251 E HA -0.228 4.210 4.350 0.146 0.000 0.194 251 E C 1.672 178.286 176.600 0.023 0.000 0.994 251 E CA 1.645 58.028 56.400 -0.028 0.000 0.801 251 E CB -0.220 29.462 29.700 -0.030 0.000 0.743 251 E HN 0.311 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 4.453 4.527 0.144 0.000 0.300 252 F C 1.840 177.665 175.800 0.041 0.000 1.090 252 F CA 1.252 59.238 58.000 -0.024 0.000 1.293 252 F CB 0.031 39.014 39.000 -0.029 0.000 1.013 252 F HN -0.046 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 4.036 4.170 0.146 0.000 0.248 253 I C 2.167 178.276 176.117 -0.013 0.000 1.119 253 I CA 1.353 62.769 61.300 0.193 0.000 1.417 253 I CB -0.433 37.728 38.000 0.268 0.000 1.078 253 I HN 0.172 nan 8.210 nan 0.000 0.421 254 E N 0.239 120.410 120.200 -0.049 0.000 2.076 254 E HA -0.184 4.254 4.350 0.146 0.000 0.190 254 E C 2.064 178.587 176.600 -0.129 0.000 0.979 254 E CA 0.908 57.252 56.400 -0.092 0.000 0.807 254 E CB 0.022 29.681 29.700 -0.069 0.000 0.761 254 E HN 0.568 nan 8.360 nan 0.000 0.454 255 Q N -0.311 119.398 119.800 -0.152 0.000 2.376 255 Q HA 0.021 4.449 4.340 0.146 0.000 0.206 255 Q C 1.705 177.551 176.000 -0.257 0.000 0.921 255 Q CA 0.494 56.195 55.803 -0.171 0.000 0.911 255 Q CB 1.007 29.667 28.738 -0.130 0.000 1.032 255 Q HN 0.078 nan 8.270 nan 0.000 0.510 256 V N -1.411 118.237 119.914 -0.444 0.000 3.134 256 V HA -0.082 4.126 4.120 0.146 0.000 0.222 256 V C 1.450 177.378 176.094 -0.277 0.000 1.247 256 V CA 0.347 62.291 62.300 -0.593 0.000 1.281 256 V CB -0.807 30.185 31.823 -1.385 0.000 1.169 256 V HN 0.188 nan 8.190 nan 0.000 0.512 257 Y N 1.906 121.961 120.300 -0.408 0.000 2.081 257 Y HA -0.236 4.405 4.550 0.151 0.000 0.280 257 Y C 2.345 178.072 175.900 -0.288 0.000 1.163 257 Y CA 1.739 59.764 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 0.124 nan 8.280 nan 0.000 0.498 258 I N 0.389 120.731 120.570 -0.380 0.000 2.226 258 I HA -0.279 3.979 4.170 0.146 0.000 0.245 258 I C 2.562 178.482 176.117 -0.328 0.000 1.100 258 I CA 2.111 63.106 61.300 -0.508 0.000 1.374 258 I CB -2.006 35.763 38.000 -0.386 0.000 1.057 258 I HN 0.428 nan 8.210 nan 0.000 0.413 259 T N -1.232 113.205 114.554 -0.195 0.000 2.746 259 T HA -0.176 4.261 4.350 0.146 0.000 0.267 259 T C 1.555 176.229 174.700 -0.043 0.000 1.039 259 T CA 1.541 63.577 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 0.154 nan 8.240 nan 0.000 0.444 260 D N 1.077 121.496 120.400 0.030 0.000 2.144 260 D HA 0.039 4.767 4.640 0.146 0.000 0.200 260 D C 2.017 178.346 176.300 0.048 0.000 0.978 260 D CA 0.680 54.784 54.000 0.174 0.000 0.833 260 D CB -0.503 40.573 40.800 0.461 0.000 0.961 260 D HN 0.361 nan 8.370 nan 0.000 0.470 261 L N 0.495 121.572 121.223 -0.243 0.000 1.994 261 L HA -0.124 4.303 4.340 0.146 0.000 0.208 261 L C 1.993 178.723 176.870 -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 0.004 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 4.301 4.340 0.146 0.000 0.209 262 L C 2.716 179.523 176.870 -0.106 0.000 1.094 262 L CA 1.004 55.744 54.840 -0.167 0.000 0.763 262 L CB -1.091 40.866 42.059 -0.170 0.000 0.908 262 L HN 0.411 nan 8.230 nan 0.000 0.437 263 A N -0.036 122.760 122.820 -0.039 0.000 1.858 263 A HA -0.138 4.269 4.320 0.146 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 -0.853 18.217 19.000 0.118 0.000 0.827 263 A HN 0.154 nan 8.150 nan 0.000 0.443 264 V N -0.077 119.960 119.914 0.204 0.000 2.307 264 V HA -0.226 3.982 4.120 0.146 0.000 0.245 264 V C 3.065 179.300 176.094 0.235 0.000 1.045 264 V CA 1.891 64.384 62.300 0.321 0.000 1.024 264 V CB -1.258 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 0.625 123.443 122.820 -0.003 0.000 1.940 265 A HA -0.139 4.268 4.320 0.146 0.000 0.219 265 A C 2.398 179.973 177.584 -0.015 0.000 1.176 265 A CA 1.922 53.916 52.037 -0.071 0.000 0.631 265 A CB -1.210 17.693 19.000 -0.163 0.000 0.814 265 A HN 0.557 nan 8.150 nan 0.000 0.446 266 G N -1.605 107.127 108.800 -0.114 0.000 2.462 266 G HA2 -0.137 3.910 3.960 0.146 0.000 0.220 266 G HA3 -0.137 3.910 3.960 0.146 0.000 0.220 266 G C 0.988 175.645 174.900 -0.405 0.000 1.121 266 G CA 0.945 45.871 45.100 -0.290 0.000 0.758 266 G HN 0.485 nan 8.290 nan 0.000 0.559 267 F N -1.260 118.681 119.950 -0.015 0.000 2.693 267 F HA 0.401 5.015 4.527 0.145 0.000 0.303 267 F C 0.236 175.901 175.800 -0.224 0.000 1.097 267 F CA -0.340 57.574 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 4.875 4.550 0.149 0.000 0.257 268 Y C 1.287 177.355 175.900 0.280 0.000 1.053 268 Y CA -1.080 57.209 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 4.203 4.320 0.146 0.000 0.201 269 K C 1.385 178.088 176.600 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 32.457 32.500 0.056 0.000 0.748 269 K HN 0.649 nan 8.250 nan 0.000 0.465 270 N N -0.997 117.831 118.700 0.213 0.000 2.512 270 N HA -0.154 4.674 4.740 0.146 0.000 0.183 270 N C 1.060 176.581 175.510 0.017 0.000 1.073 270 N CA 0.432 53.529 53.050 0.079 0.000 0.911 270 N CB -0.178 38.329 38.487 0.033 0.000 0.964 270 N HN 0.167 nan 8.380 nan 0.000 0.447 271 W N 0.055 121.460 121.300 0.176 0.000 3.180 271 W HA 0.403 5.153 4.660 0.149 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 0.102 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 -0.323 122.629 122.820 0.221 0.000 2.238 272 A HA 0.299 4.706 4.320 0.146 0.000 0.208 272 A C 1.845 179.490 177.584 0.102 0.000 1.177 272 A CA 1.139 53.256 52.037 0.133 0.000 0.804 272 A CB -0.531 18.517 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 0.473 4.520 3.960 0.146 0.000 0.277 273 G HA3 0.473 4.520 3.960 0.146 0.000 0.277 273 G C -0.071 174.834 174.900 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 0.152 120.741 120.570 0.032 0.000 2.509 274 I HA 0.548 4.806 4.170 0.146 0.000 0.293 274 I C 0.954 177.178 176.117 0.177 0.000 1.020 274 I CA -0.503 60.796 61.300 -0.002 0.000 1.088 274 I CB 2.170 39.965 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 3.780 3.960 0.146 0.000 0.255 275 G HA3 -0.267 3.780 3.960 0.146 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 0.613 121.119 120.400 0.176 0.000 2.270 276 K HA 0.596 5.004 4.320 0.146 0.000 0.276 276 K C 0.748 177.448 176.600 0.166 0.000 1.023 276 K CA 0.423 56.827 56.287 0.196 0.000 0.955 276 K CB 0.443 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 -0.627 114.055 114.554 0.214 0.000 2.906 277 T HA 0.526 4.963 4.350 0.146 0.000 0.295 277 T C -0.743 174.007 174.700 0.083 0.000 1.075 277 T CA -0.984 61.181 62.100 0.107 0.000 1.005 277 T CB 1.720 70.669 68.868 0.135 0.000 1.136 277 T HN 0.388 nan 8.240 nan 0.000 0.498 278 S N 1.281 116.841 115.700 -0.235 0.000 2.566 278 S HA 0.783 5.340 4.470 0.146 0.000 0.298 278 S C -1.137 172.960 174.600 -0.838 0.000 1.083 278 S CA -0.909 57.082 58.200 -0.348 0.000 0.978 278 S CB 0.870 63.951 63.200 -0.199 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 4.695 4.740 0.146 0.000 0.277 279 N C -1.848 172.960 175.510 -1.169 0.000 1.707 279 N CA 0.618 52.987 53.050 -1.135 0.000 1.494 279 N CB -1.158 36.312 38.487 -1.696 0.000 0.821 279 N HN 0.515 nan 8.380 nan 0.000 0.482 280 F N 1.310 121.212 119.950 -0.080 0.000 2.565 280 F HA 0.779 5.392 4.527 0.143 0.000 0.313 280 F C 0.219 176.049 175.800 0.051 0.000 1.091 280 F CA -1.080 56.959 58.000 0.065 0.000 0.915 280 F CB 1.549 40.566 39.000 0.028 0.000 1.208 280 F HN 0.323 nan 8.300 nan 0.000 0.453 281 L N 0.038 121.257 121.223 -0.006 0.000 2.465 281 L HA 0.989 5.416 4.340 0.146 0.000 0.257 281 L C -0.818 175.794 176.870 -0.429 0.000 0.988 281 L CA -0.545 54.069 54.840 -0.376 0.000 0.827 281 L CB 1.828 43.368 42.059 -0.865 0.000 1.397 281 L HN 0.608 nan 8.230 nan 0.000 0.410 282 T N -0.469 113.766 114.554 -0.532 0.000 2.889 282 T HA 0.465 4.902 4.350 0.146 0.000 0.315 282 T C 0.392 174.623 174.700 -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 1.399 120.244 119.300 -0.757 0.000 2.926 283 C HA 0.759 5.307 4.460 0.146 0.000 0.272 283 C C 1.513 176.309 174.990 -0.324 0.000 1.249 283 C CA 0.033 58.616 59.018 -0.725 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 0.817 109.466 108.800 -0.253 0.000 2.829 284 G HA2 0.193 4.241 3.960 0.146 0.000 0.628 284 G HA3 0.193 4.241 3.960 0.146 0.000 0.628 284 G C -1.006 173.812 174.900 -0.136 0.000 1.412 284 G CA 0.210 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 -1.380 118.760 120.200 -0.099 0.000 2.446 285 E HA 0.755 5.193 4.350 0.146 0.000 0.276 285 E C -0.191 176.310 176.600 -0.165 0.000 0.969 285 E CA -0.791 55.407 56.400 -0.338 0.000 0.800 285 E CB 0.668 29.918 29.700 -0.750 0.000 1.341 285 E HN 1.489 nan 8.360 nan 0.000 0.460 286 F N -0.771 119.159 119.950 -0.034 0.000 2.616 286 F HA -0.134 4.480 4.527 0.144 0.000 0.399 286 F C -2.136 173.646 175.800 -0.029 0.000 1.110 286 F CA 0.318 58.258 58.000 -0.100 0.000 1.278 286 F CB -1.687 37.366 39.000 0.087 0.000 1.799 286 F HN 0.205 nan 8.300 nan 0.000 0.784 287 P HA 0.260 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 63.447 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 -3.638 110.951 114.554 0.059 0.000 3.038 288 T HA 0.098 4.535 4.350 0.146 0.000 0.244 288 T C 0.304 175.026 174.700 0.037 0.000 1.016 288 T CA 0.411 62.541 62.100 0.050 0.000 1.098 288 T CB -0.316 68.599 68.868 0.078 0.000 0.954 288 T HN 0.338 nan 8.240 nan 0.000 0.469 289 D N 1.362 121.792 120.400 0.050 0.000 2.414 289 D HA 0.236 4.964 4.640 0.146 0.000 0.232 289 D C 0.825 177.158 176.300 0.056 0.000 1.070 289 D CA -0.507 53.534 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 2.694 122.925 120.200 0.052 0.000 2.472 290 E HA -0.156 4.282 4.350 0.146 0.000 0.200 290 E C 0.172 176.665 176.600 -0.177 0.000 1.046 290 E CA 0.699 57.058 56.400 -0.068 0.000 0.871 290 E CB 0.195 29.839 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 4.841 4.550 0.149 0.000 0.250 291 Y C -0.054 175.859 175.900 0.020 0.000 1.175 291 Y CA -0.515 57.586 58.100 0.001 0.000 1.205 291 Y CB 0.898 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 4.984 4.640 0.146 0.000 0.250 292 D C 0.524 176.856 176.300 0.053 0.000 1.279 292 D CA -0.151 53.899 54.000 0.083 0.000 0.925 292 D CB 1.101 41.952 40.800 0.085 0.000 1.261 292 D HN 0.058 nan 8.370 nan 0.000 0.567 293 L N 2.530 123.781 121.223 0.047 0.000 2.191 293 L HA -0.069 4.358 4.340 0.146 0.000 0.212 293 L C 1.223 178.110 176.870 0.027 0.000 1.103 293 L CA 0.688 55.543 54.840 0.026 0.000 0.769 293 L CB -0.098 41.975 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 4.780 4.740 0.146 0.000 0.191 294 N C 1.515 177.060 175.510 0.058 0.000 1.161 294 N CA 0.742 53.818 53.050 0.044 0.000 0.863 294 N CB 0.249 38.762 38.487 0.044 0.000 0.980 294 N HN 0.296 nan 8.380 nan 0.000 0.458 295 S N -0.888 114.850 115.700 0.064 0.000 2.577 295 S HA 0.229 4.787 4.470 0.146 0.000 0.219 295 S C 0.709 175.376 174.600 0.111 0.000 0.962 295 S CA -0.461 57.789 58.200 0.082 0.000 0.921 295 S CB 0.478 63.723 63.200 0.075 0.000 0.789 295 S HN 0.046 nan 8.310 nan 0.000 0.497 296 R N 0.654 121.214 120.500 0.100 0.000 2.438 296 R HA 0.236 4.663 4.340 0.146 0.000 0.287 296 R C 0.843 177.277 176.300 0.225 0.000 1.077 296 R CA -0.361 55.827 56.100 0.146 0.000 1.034 296 R CB 0.255 30.592 30.300 0.063 0.000 0.993 296 R HN 0.334 nan 8.270 nan 0.000 0.459 297 Y N 2.793 123.236 120.300 0.239 0.000 2.053 297 Y HA -0.228 4.408 4.550 0.143 0.000 0.277 297 Y C 0.975 176.964 175.900 0.148 0.000 1.159 297 Y CA 1.820 60.085 58.100 0.275 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 1.370 115.914 114.554 -0.018 0.000 2.806 298 T HA 0.421 4.858 4.350 0.146 0.000 0.290 298 T C -2.579 172.013 174.700 -0.180 0.000 0.966 298 T CA -2.150 59.726 62.100 -0.374 0.000 1.060 298 T CB 1.588 70.373 68.868 -0.139 0.000 0.927 298 T HN 0.139 nan 8.240 nan 0.000 0.485 299 P HA 0.215 nan 4.420 nan 0.000 0.276 299 P C -0.808 176.419 177.300 -0.121 0.000 1.252 299 P CA -0.524 62.505 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 5.186 4.340 0.146 0.000 0.251 300 Q C -0.214 175.740 176.000 -0.076 0.000 0.936 300 Q CA -0.902 54.823 55.803 -0.130 0.000 0.894 300 Q CB 1.010 29.687 28.738 -0.101 0.000 1.252 300 Q HN 0.807 nan 8.270 nan 0.000 0.448 301 G N -0.641 108.100 108.800 -0.098 0.000 2.316 301 G HA2 0.464 4.512 3.960 0.146 0.000 0.296 301 G HA3 0.464 4.512 3.960 0.146 0.000 0.296 301 G C -1.908 172.942 174.900 -0.084 0.000 1.399 301 G CA -0.305 44.779 45.100 -0.027 0.000 0.833 301 G HN 0.738 nan 8.290 nan 0.000 0.565 302 V N 1.070 120.964 119.914 -0.034 0.000 2.524 302 V HA 0.481 4.689 4.120 0.146 0.000 0.297 302 V C -0.120 175.972 176.094 -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 4.636 4.170 0.146 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 1.456 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 4.665 126.089 121.300 0.207 0.000 2.496 304 W HA 0.559 5.309 4.660 0.150 0.000 0.327 304 W C 1.053 177.599 176.519 0.045 0.000 1.086 304 W CA 0.598 58.014 57.345 0.118 0.000 1.222 304 W CB 1.358 30.904 29.460 0.143 0.000 1.304 304 W HN 0.828 nan 8.180 nan 0.000 0.547 305 G N 2.757 111.669 108.800 0.187 0.000 2.622 305 G HA2 -0.406 3.642 3.960 0.146 0.000 0.307 305 G HA3 -0.406 3.642 3.960 0.146 0.000 0.307 305 G C 0.232 175.172 174.900 0.067 0.000 1.226 305 G CA 1.061 46.197 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 5.168 4.740 0.146 0.000 0.270 306 N C -1.163 174.273 175.510 -0.122 0.000 1.354 306 N CA 0.015 52.917 53.050 -0.245 0.000 0.889 306 N CB 0.933 38.951 38.487 -0.782 0.000 1.285 306 N HN 0.435 nan 8.380 nan 0.000 0.503 307 D N 1.093 121.535 120.400 0.070 0.000 2.456 307 D HA 0.161 4.888 4.640 0.146 0.000 0.219 307 D C 0.696 177.093 176.300 0.160 0.000 1.126 307 D CA -0.211 53.852 54.000 0.105 0.000 0.890 307 D CB 0.643 41.512 40.800 0.116 0.000 1.025 307 D HN 0.199 nan 8.370 nan 0.000 0.511 308 L N 2.349 123.672 121.223 0.167 0.000 2.599 308 L HA -0.005 4.423 4.340 0.146 0.000 0.230 308 L C 2.013 178.940 176.870 0.095 0.000 1.141 308 L CA 0.225 55.162 54.840 0.162 0.000 0.877 308 L CB -0.202 41.979 42.059 0.203 0.000 1.009 308 L HN 0.320 nan 8.230 nan 0.000 0.447 309 S N -1.048 114.703 115.700 0.086 0.000 2.478 309 S HA -0.036 4.522 4.470 0.146 0.000 0.222 309 S C 0.879 175.519 174.600 0.066 0.000 1.008 309 S CA 0.004 58.237 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 0.532 4.939 4.320 0.146 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 4.125 124.115 119.914 0.126 0.000 2.328 311 V HA 0.183 4.390 4.120 0.146 0.000 0.278 311 V C -0.205 175.975 176.094 0.142 0.000 1.021 311 V CA -0.812 61.565 62.300 0.127 0.000 0.838 311 V CB 1.171 33.040 31.823 0.077 0.000 0.999 311 V HN 0.763 nan 8.190 nan 0.000 0.447 312 D N 2.365 122.883 120.400 0.197 0.000 2.411 312 D HA 0.289 5.016 4.640 0.146 0.000 0.251 312 D C -0.244 176.148 176.300 0.153 0.000 1.201 312 D CA -0.282 53.844 54.000 0.210 0.000 0.996 312 D CB 0.634 41.643 40.800 0.349 0.000 1.101 312 D HN 0.436 nan 8.370 nan 0.000 0.504 313 D N -0.206 120.287 120.400 0.155 0.000 2.256 313 D HA 0.137 4.864 4.640 0.146 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 0.385 41.240 40.800 0.092 0.000 1.185 313 D HN 0.112 nan 8.370 nan 0.000 0.437 314 F N 3.355 123.288 119.950 -0.028 0.000 2.472 314 F HA 0.219 4.836 4.527 0.149 0.000 0.364 314 F C -0.078 175.735 175.800 0.020 0.000 1.090 314 F CA -0.540 57.413 58.000 -0.078 0.000 1.188 314 F CB 0.197 39.057 39.000 -0.233 0.000 1.105 314 F HN 0.046 nan 8.300 nan 0.000 0.536 315 N N 8.697 127.159 118.700 -0.396 0.000 2.569 315 N HA 0.379 5.206 4.740 0.146 0.000 0.254 315 N C -2.216 173.083 175.510 -0.351 0.000 1.004 315 N CA -2.609 50.239 53.050 -0.337 0.000 0.904 315 N CB 1.600 40.053 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 0.056 177.565 177.300 0.349 0.000 1.158 316 P CA 0.746 63.858 63.100 0.020 0.000 0.769 316 P CB 0.552 32.405 31.700 0.254 0.000 0.807 317 D N -0.292 120.201 120.400 0.155 0.000 2.312 317 D HA -0.001 4.727 4.640 0.146 0.000 0.211 317 D C 1.737 178.100 176.300 0.104 0.000 0.964 317 D CA 0.604 54.686 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 0.543 121.759 121.223 -0.012 0.000 2.599 318 L HA 0.160 4.588 4.340 0.146 0.000 0.230 318 L C 0.686 177.525 176.870 -0.053 0.000 1.141 318 L CA 0.101 54.825 54.840 -0.194 0.000 0.877 318 L CB 0.016 41.617 42.059 -0.763 0.000 1.009 318 L HN -0.138 nan 8.230 nan 0.000 0.447 319 I N 0.246 120.923 120.570 0.178 0.000 2.365 319 I HA 0.161 4.419 4.170 0.146 0.000 0.291 319 I C 0.197 176.330 176.117 0.026 0.000 1.004 319 I CA 0.090 61.522 61.300 0.219 0.000 1.311 319 I CB 1.089 39.246 38.000 0.262 0.000 1.401 319 I HN 0.028 nan 8.210 nan 0.000 0.491 320 E N 5.922 126.121 120.200 -0.002 0.000 2.292 320 E HA 0.353 4.791 4.350 0.146 0.000 0.272 320 E C -1.294 175.224 176.600 -0.136 0.000 0.881 320 E CA -0.690 55.651 56.400 -0.098 0.000 0.754 320 E CB 2.554 32.206 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 0.272 4.709 4.350 0.146 0.000 0.274 321 E C -0.459 176.016 176.600 -0.209 0.000 0.930 321 E CA -0.434 55.852 56.400 -0.189 0.000 0.770 321 E CB 1.376 30.952 29.700 -0.206 0.000 1.104 321 E HN 0.326 nan 8.360 nan 0.000 0.403 322 H N 0.977 119.961 119.070 -0.144 0.000 2.488 322 H HA 0.212 4.855 4.556 0.145 0.000 0.347 322 H C 0.673 175.940 175.328 -0.102 0.000 1.174 322 H CA -0.296 55.683 56.048 -0.115 0.000 1.307 322 H CB 1.966 31.685 29.762 -0.072 0.000 1.517 322 H HN 0.378 nan 8.280 nan 0.000 0.554 323 V N -0.679 119.240 119.914 0.009 0.000 3.329 323 V HA 0.141 4.348 4.120 0.146 0.000 0.317 323 V C 1.531 177.595 176.094 -0.050 0.000 1.495 323 V CA -0.313 61.996 62.300 0.016 0.000 1.105 323 V CB 0.261 32.112 31.823 0.047 0.000 0.985 323 V HN 0.613 nan 8.190 nan 0.000 0.475 324 K N 0.494 120.845 120.400 -0.082 0.000 2.103 324 K HA -0.086 4.322 4.320 0.146 0.000 0.207 324 K C 0.727 176.985 176.600 -0.571 0.000 1.048 324 K CA 2.088 58.191 56.287 -0.306 0.000 0.930 324 K CB -0.097 32.177 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 4.903 4.550 0.145 0.000 0.277 325 Y C -0.197 175.359 175.900 -0.574 0.000 1.144 325 Y CA -0.571 57.349 58.100 -0.299 0.000 1.221 325 Y CB 0.936 39.210 38.460 -0.311 0.000 1.163 325 Y HN -0.145 nan 8.280 nan 0.000 0.537 326 S N -1.350 114.137 115.700 -0.356 0.000 2.677 326 S HA 0.308 4.865 4.470 0.146 0.000 0.304 326 S C -0.849 173.476 174.600 -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 -0.504 0.000 1.496 327 W HA 0.384 5.129 4.660 0.142 0.000 0.422 327 W C -1.125 174.936 176.519 -0.764 0.000 0.638 327 W CA -0.520 56.387 57.345 -0.731 0.000 2.105 327 W CB -1.308 27.335 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 4.859 4.550 0.143 0.000 0.345 328 Y C 0.585 176.507 175.900 0.037 0.000 1.036 328 Y CA -1.582 56.563 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 1.212 121.539 120.200 0.212 0.000 2.452 329 E HA 0.314 4.752 4.350 0.146 0.000 0.261 329 E C 0.671 177.320 176.600 0.083 0.000 0.987 329 E CA 1.103 57.572 56.400 0.115 0.000 0.926 329 E CB 0.344 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 2.537 111.358 108.800 0.034 0.000 2.575 330 G HA2 -0.241 3.806 3.960 0.146 0.000 0.267 330 G HA3 -0.241 3.806 3.960 0.146 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 -0.002 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 5.143 4.320 0.146 0.000 0.292 331 A C 0.979 178.496 177.584 -0.112 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 0.161 108.870 108.800 -0.153 0.000 2.432 332 G HA2 0.537 4.584 3.960 0.146 0.000 0.257 332 G HA3 0.537 4.584 3.960 0.146 0.000 0.257 332 G C 0.056 174.669 174.900 -0.479 0.000 1.238 332 G CA 0.448 45.361 45.100 -0.311 0.000 0.838 332 G HN 0.895 nan 8.290 nan 0.000 0.547 333 A N 2.556 125.001 122.820 -0.625 0.000 2.317 333 A HA 0.732 5.140 4.320 0.146 0.000 0.327 333 A C -0.506 176.663 177.584 -0.692 0.000 1.178 333 A CA -0.669 50.929 52.037 -0.732 0.000 0.817 333 A CB 0.875 19.194 19.000 -1.135 0.000 1.189 333 A HN 0.767 nan 8.150 nan 0.000 0.489 334 H N 1.036 119.967 119.070 -0.233 0.000 2.717 334 H HA 0.273 4.916 4.556 0.145 0.000 0.366 334 H C -0.602 174.622 175.328 -0.174 0.000 1.132 334 H CA -0.434 55.518 56.048 -0.159 0.000 1.180 334 H CB 1.415 31.089 29.762 -0.145 0.000 1.678 334 H HN 0.886 nan 8.280 nan 0.000 0.537 335 H N 3.802 122.840 119.070 -0.054 0.000 2.771 335 H HA 0.005 4.650 4.556 0.148 0.000 0.364 335 H C -1.704 173.420 175.328 -0.340 0.000 1.133 335 H CA -1.301 54.626 56.048 -0.201 0.000 1.423 335 H CB 1.411 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 0.219 336 P C 0.835 177.754 177.300 -0.634 0.000 1.146 336 P CA 1.248 63.674 63.100 -1.123 0.000 0.808 336 P CB -0.113 30.383 31.700 -2.007 0.000 0.779 337 Y N 0.114 120.248 120.300 -0.277 0.000 2.421 337 Y HA -0.043 4.596 4.550 0.148 0.000 0.292 337 Y C 1.649 177.522 175.900 -0.046 0.000 1.136 337 Y CA 0.901 59.005 58.100 0.006 0.000 1.255 337 Y CB -0.537 38.029 38.460 0.176 0.000 0.991 337 Y HN -0.022 nan 8.280 nan 0.000 0.552 338 K N -0.211 120.225 120.400 0.061 0.000 2.537 338 K HA 0.254 4.662 4.320 0.146 0.000 0.206 338 K C 0.747 177.184 176.600 -0.271 0.000 1.041 338 K CA -0.073 56.169 56.287 -0.075 0.000 1.090 338 K CB 0.455 32.939 32.500 -0.027 0.000 0.833 338 K HN 0.110 nan 8.250 nan 0.000 0.493 339 G N 1.336 110.018 108.800 -0.198 0.000 2.544 339 G HA2 0.294 4.342 3.960 0.146 0.000 0.242 339 G HA3 0.294 4.342 3.960 0.146 0.000 0.242 339 G C -0.001 174.777 174.900 -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 -1.549 118.278 119.914 -0.144 0.000 2.925 340 V HA 0.844 5.052 4.120 0.146 0.000 0.311 340 V C -0.300 175.770 176.094 -0.040 0.000 1.104 340 V CA -0.871 61.381 62.300 -0.081 0.000 0.954 340 V CB 2.051 33.821 31.823 -0.089 0.000 1.022 340 V HN 0.654 nan 8.190 nan 0.000 0.427 341 T N 4.452 119.021 114.554 0.026 0.000 3.226 341 T HA 0.457 4.895 4.350 0.146 0.000 0.378 341 T C -0.558 174.274 174.700 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 69.085 68.868 0.166 0.000 1.044 341 T HN 0.769 nan 8.240 nan 0.000 0.586 342 K N 3.310 123.874 120.400 0.272 0.000 2.530 342 K HA 0.319 4.727 4.320 0.146 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 1.788 34.385 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 -0.593 176.754 177.300 0.077 0.000 1.205 343 P CA -0.001 63.104 63.100 0.009 0.000 0.765 343 P CB 0.704 32.168 31.700 -0.394 0.000 0.828 344 K N 4.387 124.824 120.400 0.063 0.000 2.723 344 K HA 0.123 4.531 4.320 0.146 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 0.818 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 4.690 125.909 121.300 -0.136 0.000 2.210 345 W HA 0.003 4.751 4.660 0.146 0.000 0.330 345 W C 0.038 176.392 176.519 -0.274 0.000 1.334 345 W CA 0.735 57.832 57.345 -0.414 0.000 1.227 345 W CB 1.012 30.288 29.460 -0.308 0.000 1.178 345 W HN 0.674 nan 8.180 nan 0.000 0.560 346 T N 1.328 115.418 114.554 -0.774 0.000 3.209 346 T HA 0.257 4.694 4.350 0.146 0.000 0.295 346 T C -0.264 173.942 174.700 -0.824 0.000 0.977 346 T CA -0.209 61.552 62.100 -0.565 0.000 0.922 346 T CB 0.083 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 -1.855 0.000 9.073 347 E HA -0.143 4.294 4.350 0.146 0.000 0.486 347 E C -1.312 175.025 176.600 -0.439 0.000 1.369 347 E CA -0.316 55.187 56.400 -1.495 0.000 2.399 347 E CB -0.807 28.480 29.700 -0.689 0.000 1.019 347 E HN 0.226 nan 8.360 nan 0.000 0.265 348 F N 3.037 122.786 119.950 -0.334 0.000 2.569 348 F HA -0.048 4.567 4.527 0.145 0.000 0.395 348 F C 1.613 177.417 175.800 0.008 0.000 1.028 348 F CA 1.480 59.486 58.000 0.009 0.000 1.158 348 F CB -0.863 38.179 39.000 0.069 0.000 1.023 348 F HN 0.473 nan 8.300 nan 0.000 0.547 349 H N -0.403 118.802 119.070 0.226 0.000 2.958 349 H HA -0.161 4.483 4.556 0.147 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 4.356 3.960 0.146 0.000 0.273 350 G HA3 0.309 4.356 3.960 0.146 0.000 0.273 350 G C 0.479 175.403 174.900 0.041 0.000 1.213 350 G CA 0.387 45.495 45.100 0.013 0.000 0.955 350 G HN 0.442 nan 8.290 nan 0.000 0.454 351 E N 2.083 122.305 120.200 0.038 0.000 2.791 351 E HA -0.219 4.219 4.350 0.146 0.000 0.271 351 E C 0.164 176.814 176.600 0.085 0.000 1.044 351 E CA 0.511 56.931 56.400 0.032 0.000 0.814 351 E CB -0.791 28.904 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 0.164 0.000 3.028 352 D HA -0.192 4.536 4.640 0.146 0.000 0.207 352 D C 0.061 176.588 176.300 0.378 0.000 1.100 352 D CA 1.569 55.761 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 0.341 4.768 4.340 0.146 0.000 0.291 353 R C 0.921 176.990 176.300 -0.385 0.000 1.070 353 R CA -0.141 55.838 56.100 -0.202 0.000 1.014 353 R CB 0.268 30.365 30.300 -0.338 0.000 1.007 353 R HN 0.354 nan 8.270 nan 0.000 0.466 354 Y N -1.701 118.104 120.300 -0.824 0.000 2.809 354 Y HA 0.493 5.130 4.550 0.145 0.000 0.251 354 Y C -0.548 174.603 175.900 -1.248 0.000 1.136 354 Y CA -0.729 56.760 58.100 -1.018 0.000 1.185 354 Y CB 0.696 38.770 38.460 -0.642 0.000 1.260 354 Y HN 0.410 nan 8.280 nan 0.000 0.576 355 S N -0.666 113.960 115.700 -1.789 0.000 2.537 355 S HA 0.241 4.799 4.470 0.146 0.000 0.271 355 S C -1.128 173.095 174.600 -0.628 0.000 1.148 355 S CA -0.674 56.953 58.200 -0.956 0.000 0.868 355 S CB 0.292 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 2.577 123.950 121.300 0.121 0.000 3.139 356 W HA 0.323 5.070 4.660 0.145 0.000 0.260 356 W C 0.903 177.599 176.519 0.295 0.000 1.312 356 W CA -0.332 57.198 57.345 0.309 0.000 1.606 356 W CB 0.309 30.038 29.460 0.448 0.000 1.118 356 W HN 0.277 nan 8.180 nan 0.000 0.675 357 M N 1.195 120.989 119.600 0.324 0.000 2.277 357 M HA 0.182 4.749 4.480 0.146 0.000 0.350 357 M C 0.441 176.835 176.300 0.157 0.000 1.180 357 M CA -0.010 55.417 55.300 0.212 0.000 1.103 357 M CB 1.242 33.901 32.600 0.100 0.000 1.577 357 M HN -0.247 nan 8.290 nan 0.000 0.459 358 K N 1.198 121.659 120.400 0.102 0.000 2.117 358 K HA 0.553 4.961 4.320 0.146 0.000 0.240 358 K C -0.350 176.221 176.600 -0.049 0.000 1.031 358 K CA -0.495 55.791 56.287 -0.000 0.000 0.909 358 K CB 0.764 33.196 32.500 -0.113 0.000 1.097 358 K HN 0.727 nan 8.250 nan 0.000 0.492 359 A N 2.655 125.440 122.820 -0.057 0.000 2.511 359 A HA 0.362 4.770 4.320 0.146 0.000 0.340 359 A C -2.497 175.009 177.584 -0.130 0.000 1.396 359 A CA -1.737 50.254 52.037 -0.078 0.000 0.887 359 A CB 0.201 19.188 19.000 -0.021 0.000 1.145 359 A HN 0.299 nan 8.150 nan 0.000 0.497 360 P HA 0.353 nan 4.420 nan 0.000 0.271 360 P C -0.393 176.619 177.300 -0.480 0.000 1.220 360 P CA -0.047 62.646 63.100 -0.678 0.000 0.768 360 P CB 0.664 31.421 31.700 -1.573 0.000 0.848 361 R N 2.472 122.904 120.500 -0.114 0.000 2.670 361 R HA 0.452 4.880 4.340 0.146 0.000 0.289 361 R C -1.361 175.213 176.300 0.457 0.000 0.965 361 R CA -1.254 54.988 56.100 0.237 0.000 0.899 361 R CB 0.733 31.171 30.300 0.230 0.000 1.173 361 R HN 0.451 nan 8.270 nan 0.000 0.456 362 Y N 2.523 123.142 120.300 0.531 0.000 2.369 362 Y HA 0.187 4.825 4.550 0.147 0.000 0.337 362 Y C 0.628 176.764 175.900 0.394 0.000 0.961 362 Y CA -0.526 57.795 58.100 0.368 0.000 1.186 362 Y CB 0.748 39.129 38.460 -0.131 0.000 1.139 362 Y HN 0.729 nan 8.280 nan 0.000 0.494 363 K N 4.724 125.106 120.400 -0.031 0.000 3.077 363 K HA -0.255 4.152 4.320 0.146 0.000 0.264 363 K C 0.788 177.536 176.600 0.247 0.000 1.008 363 K CA 1.061 57.380 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 1.467 nan 8.250 nan 0.000 0.477 364 G N -0.920 108.030 108.800 0.250 0.000 2.184 364 G HA2 -0.285 3.763 3.960 0.146 0.000 0.264 364 G HA3 -0.285 3.763 3.960 0.146 0.000 0.264 364 G C -0.251 174.814 174.900 0.275 0.000 0.975 364 G CA 0.818 46.062 45.100 0.240 0.000 0.642 364 G HN 0.485 nan 8.290 nan 0.000 0.536 365 E N -0.060 120.404 120.200 0.440 0.000 2.222 365 E HA 0.710 5.147 4.350 0.146 0.000 0.267 365 E C 0.445 177.325 176.600 0.467 0.000 0.963 365 E CA -0.052 56.603 56.400 0.425 0.000 0.837 365 E CB 1.600 31.656 29.700 0.593 0.000 1.183 365 E HN 0.718 nan 8.360 nan 0.000 0.403 366 A N 1.995 124.962 122.820 0.246 0.000 2.363 366 A HA 0.557 4.964 4.320 0.146 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 -0.014 19.026 19.000 0.067 0.000 1.052 366 A HN 0.437 nan 8.150 nan 0.000 0.493 367 F N -0.449 119.620 119.950 0.200 0.000 2.640 367 F HA 0.530 5.143 4.527 0.144 0.000 0.324 367 F C 0.243 176.053 175.800 0.016 0.000 1.077 367 F CA -0.410 57.584 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 1.543 121.768 120.200 0.043 0.000 2.187 368 E HA 0.652 5.090 4.350 0.146 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 5.248 4.120 0.146 0.000 0.315 369 V C 0.261 176.392 176.094 0.062 0.000 1.087 369 V CA 0.281 62.565 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 2.358 111.162 108.800 0.007 0.000 2.315 370 G HA2 0.142 4.189 3.960 0.146 0.000 0.296 370 G HA3 0.142 4.189 3.960 0.146 0.000 0.296 370 G C -2.746 172.144 174.900 -0.017 0.000 1.289 370 G CA 0.045 45.151 45.100 0.011 0.000 0.996 370 G HN 0.608 nan 8.290 nan 0.000 0.487 371 P HA -0.038 nan 4.420 nan 0.000 0.215 371 P C 2.270 179.513 177.300 -0.094 0.000 1.157 371 P CA 1.485 64.550 63.100 -0.059 0.000 0.874 371 P CB 0.092 31.722 31.700 -0.117 0.000 0.790 372 L N -0.201 120.956 121.223 -0.109 0.000 1.989 372 L HA -0.146 4.282 4.340 0.146 0.000 0.211 372 L C 2.307 179.065 176.870 -0.187 0.000 1.071 372 L CA 2.286 57.020 54.840 -0.176 0.000 0.749 372 L CB -1.634 40.338 42.059 -0.145 0.000 0.890 372 L HN -0.099 nan 8.230 nan 0.000 0.431 373 A N -1.554 121.250 122.820 -0.028 0.000 1.902 373 A HA -0.199 4.208 4.320 0.146 0.000 0.217 373 A C 2.365 179.912 177.584 -0.062 0.000 1.181 373 A CA 2.090 54.148 52.037 0.035 0.000 0.623 373 A CB -0.986 18.108 19.000 0.156 0.000 0.818 373 A HN 0.556 nan 8.150 nan 0.000 0.443 374 S N -0.388 115.270 115.700 -0.070 0.000 2.356 374 S HA -0.134 4.424 4.470 0.146 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 -0.565 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 2.076 121.934 119.914 -0.093 0.000 2.407 375 V HA -0.108 4.099 4.120 0.146 0.000 0.248 375 V C 2.148 178.185 176.094 -0.094 0.000 1.055 375 V CA 1.339 63.580 62.300 -0.098 0.000 1.049 375 V CB -0.708 31.031 31.823 -0.140 0.000 0.662 375 V HN 0.399 nan 8.190 nan 0.000 0.455 376 L N -0.698 120.427 121.223 -0.163 0.000 2.093 376 L HA -0.115 4.312 4.340 0.146 0.000 0.208 376 L C 2.443 179.305 176.870 -0.013 0.000 1.085 376 L CA 0.979 55.737 54.840 -0.137 0.000 0.755 376 L CB -0.454 41.388 42.059 -0.361 0.000 0.904 376 L HN 0.204 nan 8.230 nan 0.000 0.435 377 V N 0.013 119.905 119.914 -0.037 0.000 2.270 377 V HA -0.275 3.932 4.120 0.146 0.000 0.245 377 V C 2.755 178.839 176.094 -0.017 0.000 1.043 377 V CA 1.804 64.091 62.300 -0.021 0.000 1.014 377 V CB -0.874 30.916 31.823 -0.055 0.000 0.645 377 V HN 0.469 nan 8.190 nan 0.000 0.447 378 A N -0.733 122.064 122.820 -0.039 0.000 1.883 378 A HA -0.313 4.095 4.320 0.146 0.000 0.217 378 A C 2.196 179.824 177.584 0.073 0.000 1.186 378 A CA 2.423 54.438 52.037 -0.037 0.000 0.624 378 A CB -0.894 18.023 19.000 -0.138 0.000 0.822 378 A HN 0.656 nan 8.150 nan 0.000 0.444 379 Y N 0.536 120.812 120.300 -0.040 0.000 2.145 379 Y HA -0.065 4.573 4.550 0.146 0.000 0.286 379 Y C 2.653 178.543 175.900 -0.018 0.000 1.145 379 Y CA 1.314 59.395 58.100 -0.031 0.000 1.148 379 Y CB -0.621 37.797 38.460 -0.071 0.000 0.981 379 Y HN 0.299 nan 8.280 nan 0.000 0.507 380 A N 0.145 122.933 122.820 -0.053 0.000 1.972 380 A HA -0.171 4.237 4.320 0.146 0.000 0.219 380 A C 2.054 179.582 177.584 -0.095 0.000 1.169 380 A CA 1.779 53.751 52.037 -0.108 0.000 0.635 380 A CB -0.519 18.485 19.000 0.008 0.000 0.810 380 A HN 0.502 nan 8.150 nan 0.000 0.446 381 K N -0.601 119.771 120.400 -0.047 0.000 2.458 381 K HA 0.103 4.510 4.320 0.146 0.000 0.194 381 K C -0.476 176.106 176.600 -0.029 0.000 1.024 381 K CA 0.031 56.303 56.287 -0.025 0.000 1.108 381 K CB 0.056 32.554 32.500 -0.003 0.000 0.846 381 K HN 0.393 nan 8.250 nan 0.000 0.518 382 K N 0.923 121.278 120.400 -0.074 0.000 3.239 382 K HA -0.213 4.194 4.320 0.146 0.000 0.270 382 K C -0.753 175.848 176.600 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 1.090 120.124 119.070 -0.060 0.000 2.864 383 H HA 0.101 4.745 4.556 0.147 0.000 0.281 383 H C 1.267 176.573 175.328 -0.038 0.000 1.093 383 H CA -0.016 55.992 56.048 -0.067 0.000 1.453 383 H CB 0.727 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 5.232 125.282 120.200 -0.249 0.000 2.086 384 E HA -0.170 4.267 4.350 0.146 0.000 0.200 384 E C -0.800 175.704 176.600 -0.159 0.000 1.012 384 E CA 1.749 58.045 56.400 -0.173 0.000 0.812 384 E CB -0.848 28.767 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 1.503 178.804 177.300 0.002 0.000 1.157 385 P CA 1.618 64.647 63.100 -0.119 0.000 0.868 385 P CB -0.277 31.366 31.700 -0.094 0.000 0.788 386 T N -0.184 114.427 114.554 0.095 0.000 2.674 386 T HA -0.090 4.347 4.350 0.146 0.000 0.265 386 T C 1.939 176.716 174.700 0.128 0.000 1.039 386 T CA 1.453 63.650 62.100 0.161 0.000 1.150 386 T CB -1.098 67.936 68.868 0.277 0.000 0.864 386 T HN -0.142 nan 8.240 nan 0.000 0.427 387 V N 1.514 121.532 119.914 0.174 0.000 2.287 387 V HA -0.193 4.014 4.120 0.146 0.000 0.248 387 V C 2.502 178.661 176.094 0.108 0.000 1.053 387 V CA 1.631 64.078 62.300 0.246 0.000 1.027 387 V CB -0.500 31.395 31.823 0.120 0.000 0.646 387 V HN 0.454 nan 8.190 nan 0.000 0.447 388 K N -0.097 120.322 120.400 0.032 0.000 2.097 388 K HA -0.133 4.275 4.320 0.146 0.000 0.206 388 K C 2.268 178.855 176.600 -0.022 0.000 1.049 388 K CA 1.465 57.751 56.287 -0.001 0.000 0.933 388 K CB -0.348 32.139 32.500 -0.022 0.000 0.717 388 K HN 0.495 nan 8.250 nan 0.000 0.442 389 A N 0.767 123.569 122.820 -0.030 0.000 1.897 389 A HA -0.082 4.326 4.320 0.146 0.000 0.215 389 A C 2.318 179.829 177.584 -0.122 0.000 1.181 389 A CA 1.048 53.043 52.037 -0.070 0.000 0.620 389 A CB -0.477 18.487 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 3.969 4.120 0.146 0.000 0.246 390 V C 2.196 178.160 176.094 -0.218 0.000 1.049 390 V CA 2.383 64.510 62.300 -0.290 0.000 1.024 390 V CB -0.746 30.719 31.823 -0.596 0.000 0.648 390 V HN 0.518 nan 8.190 nan 0.000 0.447 391 D N -0.107 120.221 120.400 -0.120 0.000 2.104 391 D HA -0.189 4.538 4.640 0.146 0.000 0.194 391 D C 1.985 178.234 176.300 -0.085 0.000 0.994 391 D CA 1.525 55.483 54.000 -0.069 0.000 0.830 391 D CB -0.467 40.328 40.800 -0.007 0.000 0.959 391 D HN 0.377 nan 8.370 nan 0.000 0.452 392 L N 0.784 121.954 121.223 -0.089 0.000 1.990 392 L HA -0.205 4.223 4.340 0.146 0.000 0.213 392 L C 2.217 179.019 176.870 -0.113 0.000 1.072 392 L CA 1.593 56.377 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 3.887 4.120 0.146 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 0.250 121.384 121.223 -0.148 0.000 2.127 394 L HA -0.214 4.214 4.340 0.146 0.000 0.211 394 L C 2.622 179.437 176.870 -0.092 0.000 1.089 394 L CA 1.900 56.666 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 4.288 4.320 0.146 0.000 0.204 395 K C 1.867 178.421 176.600 -0.077 0.000 1.052 395 K CA 1.724 57.969 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 0.030 4.467 4.350 0.146 0.000 0.266 396 T C 1.707 176.343 174.700 -0.105 0.000 1.048 396 T CA 0.879 62.920 62.100 -0.099 0.000 1.139 396 T CB 0.057 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 0.402 121.561 121.223 -0.108 0.000 2.567 397 L HA 0.315 4.742 4.340 0.146 0.000 0.225 397 L C 1.560 178.380 176.870 -0.083 0.000 1.119 397 L CA -0.040 54.737 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 1.744 110.500 108.800 -0.074 0.000 2.350 398 G HA2 -0.194 3.854 3.960 0.146 0.000 0.298 398 G HA3 -0.194 3.854 3.960 0.146 0.000 0.298 398 G C -0.038 174.834 174.900 -0.047 0.000 1.037 398 G CA 0.492 45.558 45.100 -0.057 0.000 1.074 398 G HN 0.311 nan 8.290 nan 0.000 0.511 399 V N -2.736 117.148 119.914 -0.050 0.000 3.156 399 V HA 1.072 5.280 4.120 0.146 0.000 0.310 399 V C 0.742 176.813 176.094 -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 33.469 31.823 -0.039 0.000 1.088 399 V HN 1.316 nan 8.190 nan 0.000 0.451 400 G N -0.936 107.850 108.800 -0.022 0.000 2.705 400 G HA2 0.679 4.726 3.960 0.146 0.000 0.299 400 G HA3 0.679 4.726 3.960 0.146 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 -0.029 0.000 1.153 401 P CA 1.054 64.108 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 0.039 120.309 120.200 0.117 0.000 2.418 402 E HA -0.045 4.393 4.350 0.146 0.000 0.197 402 E C 1.706 178.427 176.600 0.202 0.000 1.026 402 E CA 0.779 57.353 56.400 0.289 0.000 0.862 402 E CB -0.662 29.168 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 0.076 4.484 4.320 0.146 0.000 0.217 403 A C 2.103 179.637 177.584 -0.084 0.000 1.156 403 A CA 0.414 52.451 52.037 0.001 0.000 0.683 403 A CB -0.390 18.591 19.000 -0.032 0.000 0.808 403 A HN 0.317 nan 8.150 nan 0.000 0.455 404 L N -1.625 119.451 121.223 -0.246 0.000 2.201 404 L HA -0.055 4.373 4.340 0.146 0.000 0.212 404 L C 0.494 177.083 176.870 -0.468 0.000 1.105 404 L CA 0.464 55.035 54.840 -0.448 0.000 0.775 404 L CB -0.424 41.218 42.059 -0.695 0.000 0.913 404 L HN 0.350 nan 8.230 nan 0.000 0.440 405 F N 0.849 120.777 119.950 -0.037 0.000 2.668 405 F HA 0.107 4.721 4.527 0.146 0.000 0.365 405 F C 0.943 176.794 175.800 0.084 0.000 1.165 405 F CA -0.251 57.774 58.000 0.043 0.000 1.344 405 F CB -0.820 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 -2.716 113.076 115.700 0.153 0.000 2.727 406 S HA 0.310 4.868 4.470 0.146 0.000 0.278 406 S C 0.615 175.307 174.600 0.153 0.000 1.186 406 S CA -0.580 57.722 58.200 0.170 0.000 0.836 406 S CB 1.238 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 0.010 4.448 4.350 0.146 0.000 0.267 407 T C 1.655 176.474 174.700 0.199 0.000 1.059 407 T CA 1.385 63.646 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 1.443 122.786 121.223 0.199 0.000 2.027 408 L HA 0.150 4.578 4.340 0.146 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 -1.138 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 -1.191 107.586 108.800 -0.037 0.000 2.422 409 G HA2 -0.318 3.730 3.960 0.146 0.000 0.218 409 G HA3 -0.318 3.730 3.960 0.146 0.000 0.218 409 G C 1.812 176.624 174.900 -0.148 0.000 1.146 409 G CA 0.762 45.783 45.100 -0.131 0.000 0.769 409 G HN 0.384 nan 8.290 nan 0.000 0.547 410 R N -0.245 120.198 120.500 -0.095 0.000 2.148 410 R HA -0.037 4.390 4.340 0.146 0.000 0.227 410 R C 2.329 178.574 176.300 -0.093 0.000 1.103 410 R CA 1.724 57.751 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 -0.266 114.264 114.554 -0.039 0.000 2.976 411 T HA 0.110 4.547 4.350 0.146 0.000 0.257 411 T C 1.719 176.355 174.700 -0.108 0.000 1.051 411 T CA 0.834 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 4.713 4.320 0.146 0.000 0.215 412 A C 2.622 180.062 177.584 -0.241 0.000 1.181 412 A CA 1.529 53.424 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 -0.218 0.000 1.978 413 A HA -0.219 4.189 4.320 0.146 0.000 0.220 413 A C 2.211 179.670 177.584 -0.208 0.000 1.170 413 A CA 1.882 53.791 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 -0.050 4.378 4.340 0.146 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 -0.563 29.571 30.300 -0.276 0.000 0.874 414 R HN 0.421 nan 8.270 nan 0.000 0.451 415 G N 0.741 109.365 108.800 -0.293 0.000 2.403 415 G HA2 -0.149 3.899 3.960 0.146 0.000 0.216 415 G HA3 -0.149 3.899 3.960 0.146 0.000 0.216 415 G C 1.396 176.123 174.900 -0.287 0.000 1.154 415 G CA 0.541 45.368 45.100 -0.454 0.000 0.784 415 G HN 0.239 nan 8.290 nan 0.000 0.538 416 I N 0.421 120.859 120.570 -0.219 0.000 2.202 416 I HA -0.174 4.083 4.170 0.146 0.000 0.242 416 I C 2.840 178.951 176.117 -0.009 0.000 1.091 416 I CA 1.568 62.793 61.300 -0.125 0.000 1.368 416 I CB -0.240 37.675 38.000 -0.142 0.000 1.058 416 I HN 0.254 nan 8.210 nan 0.000 0.410 417 Q N 0.253 120.058 119.800 0.009 0.000 2.170 417 Q HA -0.279 4.149 4.340 0.146 0.000 0.203 417 Q C 2.422 178.648 176.000 0.378 0.000 0.976 417 Q CA 2.009 57.927 55.803 0.191 0.000 0.858 417 Q CB -0.302 28.539 28.738 0.172 0.000 0.907 417 Q HN 0.640 nan 8.270 nan 0.000 0.433 418 C N -0.273 119.214 119.300 0.311 0.000 2.446 418 C HA 0.013 4.560 4.460 0.146 0.000 0.279 418 C C 2.345 177.535 174.990 0.332 0.000 1.366 418 C CA 0.588 59.924 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 1.466 122.797 121.223 0.179 0.000 2.249 419 L HA 0.099 4.527 4.340 0.146 0.000 0.207 419 L C 2.714 179.658 176.870 0.122 0.000 1.090 419 L CA 2.588 57.496 54.840 0.114 0.000 0.802 419 L CB -0.843 41.221 42.059 0.009 0.000 0.947 419 L HN 0.539 nan 8.230 nan 0.000 0.453 420 T N -2.897 111.757 114.554 0.166 0.000 2.777 420 T HA -0.049 4.388 4.350 0.146 0.000 0.266 420 T C 1.921 176.747 174.700 0.210 0.000 1.040 420 T CA 0.959 63.192 62.100 0.221 0.000 1.141 420 T CB -0.788 68.245 68.868 0.274 0.000 0.868 420 T HN 0.305 nan 8.240 nan 0.000 0.444 421 A N 2.244 125.196 122.820 0.220 0.000 1.858 421 A HA 0.294 4.701 4.320 0.146 0.000 0.216 421 A C 2.896 180.450 177.584 -0.049 0.000 1.190 421 A CA 2.137 54.202 52.037 0.046 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 -0.884 122.004 122.820 0.114 0.000 1.948 422 A HA -0.259 4.148 4.320 0.146 0.000 0.220 422 A C 2.115 179.752 177.584 0.087 0.000 1.177 422 A CA 1.940 54.077 52.037 0.167 0.000 0.636 422 A CB -0.573 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 -1.467 118.325 119.800 -0.013 0.000 2.083 423 Q HA -0.146 4.282 4.340 0.146 0.000 0.198 423 Q C 2.021 177.854 176.000 -0.277 0.000 0.969 423 Q CA 1.410 57.172 55.803 -0.068 0.000 0.838 423 Q CB -0.085 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 0.009 119.871 120.200 -0.564 0.000 2.347 424 E HA -0.078 4.359 4.350 0.146 0.000 0.196 424 E C 1.609 177.326 176.600 -1.472 0.000 1.008 424 E CA 0.287 55.980 56.400 -1.180 0.000 0.852 424 E CB 0.108 28.657 29.700 -1.917 0.000 0.783 424 E HN 0.089 nan 8.360 nan 0.000 0.505 425 V N 0.483 119.845 119.914 -0.919 0.000 2.469 425 V HA -0.253 3.955 4.120 0.146 0.000 0.251 425 V C 2.207 177.963 176.094 -0.563 0.000 1.064 425 V CA 2.004 63.926 62.300 -0.630 0.000 1.066 425 V CB -0.430 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 0.063 119.991 120.200 -0.454 0.000 2.077 426 E HA -0.178 4.259 4.350 0.146 0.000 0.193 426 E C 2.102 178.545 176.600 -0.262 0.000 0.989 426 E CA 1.481 57.740 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 -0.100 119.557 119.914 -0.429 0.000 2.261 427 V HA -0.251 3.957 4.120 0.146 0.000 0.246 427 V C 1.980 177.936 176.094 -0.229 0.000 1.047 427 V CA 1.934 64.006 62.300 -0.379 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 -0.839 120.336 121.300 -0.207 0.000 2.374 428 W HA -0.098 4.648 4.660 0.142 0.000 0.288 428 W C 2.229 178.625 176.519 -0.206 0.000 1.218 428 W CA 0.712 57.933 57.345 -0.207 0.000 1.245 428 W CB -1.334 27.972 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 4.230 4.340 0.146 0.000 0.208 429 L C 1.929 178.780 176.870 -0.030 0.000 1.071 429 L CA 2.198 56.998 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 -0.254 nan 8.230 nan 0.000 0.431 430 D N -0.315 120.067 120.400 -0.029 0.000 2.106 430 D HA -0.232 4.495 4.640 0.146 0.000 0.191 430 D C 2.251 178.549 176.300 -0.005 0.000 0.997 430 D CA 1.524 55.516 54.000 -0.014 0.000 0.834 430 D CB -0.054 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 -0.127 4.281 4.320 0.146 0.000 0.209 431 K C 2.129 178.729 176.600 0.001 0.000 1.048 431 K CA 0.509 56.803 56.287 0.011 0.000 0.930 431 K CB -0.355 32.167 32.500 0.036 0.000 0.714 431 K HN 0.009 nan 8.250 nan 0.000 0.438 432 L N 1.909 123.123 121.223 -0.016 0.000 2.021 432 L HA -0.262 4.165 4.340 0.146 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 -0.994 119.205 120.200 -0.002 0.000 2.110 433 E HA -0.224 4.214 4.350 0.146 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 1.068 123.896 122.820 0.013 0.000 1.929 434 A HA -0.148 4.260 4.320 0.146 0.000 0.216 434 A C 1.842 179.435 177.584 0.016 0.000 1.176 434 A CA 1.170 53.216 52.037 0.014 0.000 0.628 434 A CB -0.355 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 0.104 118.813 118.700 0.014 0.000 2.142 435 N HA -0.099 4.729 4.740 0.146 0.000 0.186 435 N C 1.579 177.104 175.510 0.024 0.000 1.023 435 N CA 1.489 54.550 53.050 0.017 0.000 0.852 435 N CB -0.431 38.064 38.487 0.013 0.000 0.998 435 N HN 0.230 nan 8.380 nan 0.000 0.424 436 V N 0.905 120.835 119.914 0.026 0.000 2.548 436 V HA -0.136 4.071 4.120 0.146 0.000 0.249 436 V C 2.061 178.175 176.094 0.032 0.000 1.055 436 V CA 1.306 63.628 62.300 0.036 0.000 1.065 436 V CB -0.291 31.558 31.823 0.043 0.000 0.681 436 V HN 0.236 nan 8.190 nan 0.000 0.462 437 K N 0.531 120.947 120.400 0.027 0.000 2.097 437 K HA -0.062 4.345 4.320 0.146 0.000 0.206 437 K C 2.008 178.620 176.600 0.021 0.000 1.049 437 K CA 1.433 57.734 56.287 0.024 0.000 0.933 437 K CB -0.383 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 -0.128 122.704 122.820 0.021 0.000 2.239 438 A HA 0.147 4.555 4.320 0.146 0.000 0.209 438 A C 1.451 179.047 177.584 0.021 0.000 1.171 438 A CA 0.997 53.045 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 -0.461 108.354 108.800 0.025 0.000 2.205 439 G HA2 -0.288 3.759 3.960 0.146 0.000 0.261 439 G HA3 -0.288 3.759 3.960 0.146 0.000 0.261 439 G C 0.235 175.156 174.900 0.034 0.000 0.980 439 G CA 0.394 45.511 45.100 0.028 0.000 0.632 439 G HN 0.615 nan 8.290 nan 0.000 0.533 440 K N 1.532 121.953 120.400 0.034 0.000 2.228 440 K HA 0.329 4.736 4.320 0.146 0.000 0.284 440 K C 0.097 176.729 176.600 0.053 0.000 1.088 440 K CA 0.432 56.742 56.287 0.040 0.000 0.941 440 K CB 0.516 33.035 32.500 0.031 0.000 1.158 440 K HN 0.454 nan 8.250 nan 0.000 0.438 441 D N 1.144 121.589 120.400 0.074 0.000 2.538 441 D HA 0.040 4.768 4.640 0.146 0.000 0.231 441 D C -0.613 175.790 176.300 0.173 0.000 1.229 441 D CA -0.360 53.709 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 0.604 121.089 120.400 0.142 0.000 2.302 442 D HA 0.286 5.014 4.640 0.146 0.000 0.248 442 D C 1.091 177.476 176.300 0.141 0.000 1.094 442 D CA -0.316 53.795 54.000 0.186 0.000 0.897 442 D CB 2.182 43.059 40.800 0.129 0.000 1.200 442 D HN 0.079 nan 8.370 nan 0.000 0.429 443 L N 0.910 122.229 121.223 0.159 0.000 2.993 443 L HA 0.229 4.657 4.340 0.146 0.000 0.264 443 L C -0.520 176.428 176.870 0.131 0.000 1.154 443 L CA -0.224 54.636 54.840 0.032 0.000 0.972 443 L CB 0.522 42.440 42.059 -0.234 0.000 1.373 443 L HN 0.357 nan 8.230 nan 0.000 0.564 444 Y N 0.345 120.680 120.300 0.060 0.000 2.492 444 Y HA 0.502 5.139 4.550 0.144 0.000 0.346 444 Y C -0.789 175.167 175.900 0.093 0.000 0.997 444 Y CA -0.697 57.446 58.100 0.073 0.000 1.025 444 Y CB 2.021 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 5.200 119.439 114.554 -0.525 0.000 2.824 445 T HA 0.264 4.702 4.350 0.146 0.000 0.282 445 T C -1.150 173.292 174.700 -0.430 0.000 0.993 445 T CA -0.878 61.026 62.100 -0.327 0.000 0.967 445 T CB 0.967 69.742 68.868 -0.155 0.000 0.960 445 T HN 0.484 nan 8.240 nan 0.000 0.441 446 D N 2.926 123.238 120.400 -0.145 0.000 2.382 446 D HA 0.230 4.958 4.640 0.146 0.000 0.240 446 D C -0.046 176.282 176.300 0.048 0.000 1.146 446 D CA 0.218 54.192 54.000 -0.045 0.000 0.897 446 D CB 0.811 41.610 40.800 -0.001 0.000 1.197 446 D HN 0.585 nan 8.370 nan 0.000 0.432 447 W N -0.369 120.858 121.300 -0.121 0.000 3.005 447 W HA 0.429 5.178 4.660 0.149 0.000 0.343 447 W C -1.349 175.094 176.519 -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 0.541 120.397 119.800 0.093 0.000 2.456 448 Q HA 0.327 4.754 4.340 0.146 0.000 0.284 448 Q C -1.694 174.395 176.000 0.150 0.000 1.061 448 Q CA -0.954 54.795 55.803 -0.090 0.000 0.799 448 Q CB 3.247 31.953 28.738 -0.053 0.000 1.445 448 Q HN 0.467 nan 8.270 nan 0.000 0.411 449 Y N 1.280 121.699 120.300 0.199 0.000 2.319 449 Y HA 0.266 4.903 4.550 0.145 0.000 0.328 449 Y C -1.534 174.443 175.900 0.129 0.000 1.133 449 Y CA -1.406 56.835 58.100 0.236 0.000 1.265 449 Y CB 0.065 38.639 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 0.720 178.105 177.300 0.142 0.000 1.250 450 P CA -0.105 63.093 63.100 0.164 0.000 0.793 450 P CB 0.671 32.445 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 4.316 4.350 0.146 0.000 0.267 451 T C 0.426 175.142 174.700 0.025 0.000 1.039 451 T CA 1.475 63.603 62.100 0.046 0.000 1.153 451 T CB -0.243 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 4.936 4.350 0.146 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 0.517 5.074 4.470 0.146 0.000 0.269 453 S C -1.326 173.261 174.600 -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 65.161 63.200 0.054 0.000 1.131 453 S HN 0.501 nan 8.310 nan 0.000 0.467 454 Q N 0.057 119.825 119.800 -0.053 0.000 2.389 454 Q HA 0.792 5.219 4.340 0.146 0.000 0.277 454 Q C -0.670 175.346 176.000 0.026 0.000 1.082 454 Q CA -1.211 54.540 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 0.351 109.251 108.800 0.168 0.000 2.704 455 G HA2 0.563 4.611 3.960 0.146 0.000 0.293 455 G HA3 0.563 4.611 3.960 0.146 0.000 0.293 455 G C -1.930 172.946 174.900 -0.040 0.000 1.421 455 G CA -0.487 44.652 45.100 0.065 0.000 0.870 455 G HN 0.662 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 0.924 5.132 4.120 0.146 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 2.035 32.966 31.823 -1.487 0.000 1.009 456 V HN 1.445 nan 8.190 nan 0.000 0.426 457 G N 5.034 113.260 108.800 -0.956 0.000 2.487 457 G HA2 0.653 4.701 3.960 0.146 0.000 0.314 457 G HA3 0.653 4.701 3.960 0.146 0.000 0.314 457 G C -1.466 172.918 174.900 -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 2.175 121.933 119.950 -0.320 0.000 2.426 458 F HA 0.557 5.169 4.527 0.143 0.000 0.348 458 F C 0.150 175.790 175.800 -0.266 0.000 1.124 458 F CA -0.836 57.012 58.000 -0.253 0.000 1.008 458 F CB 2.336 41.235 39.000 -0.169 0.000 1.139 458 F HN 0.192 nan 8.300 nan 0.000 0.452 459 V N 3.343 123.207 119.914 -0.084 0.000 2.735 459 V HA 0.356 4.564 4.120 0.146 0.000 0.310 459 V C -0.479 175.534 176.094 -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 33.909 31.823 -0.282 0.000 1.005 459 V HN 0.694 nan 8.190 nan 0.000 0.428 460 N N 2.747 121.359 118.700 -0.146 0.000 2.699 460 N HA 0.465 5.292 4.740 0.146 0.000 0.232 460 N C -0.056 175.443 175.510 -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 3.779 126.562 122.820 -0.062 0.000 2.327 461 A HA 0.296 4.704 4.320 0.146 0.000 0.255 461 A C -1.272 176.206 177.584 -0.177 0.000 1.099 461 A CA -0.957 51.039 52.037 -0.069 0.000 0.801 461 A CB -0.039 18.905 19.000 -0.094 0.000 1.062 461 A HN 0.443 nan 8.150 nan 0.000 0.496 462 P HA -0.147 nan 4.420 nan 0.000 0.218 462 P C 0.796 178.011 177.300 -0.142 0.000 1.146 462 P CA 1.451 64.258 63.100 -0.488 0.000 0.820 462 P CB 0.064 31.489 31.700 -0.458 0.000 0.778 463 R N -1.598 118.866 120.500 -0.060 0.000 2.359 463 R HA 0.432 4.860 4.340 0.146 0.000 0.231 463 R C 1.037 177.355 176.300 0.030 0.000 0.913 463 R CA 0.352 56.461 56.100 0.014 0.000 1.075 463 R CB 0.262 30.599 30.300 0.062 0.000 1.087 463 R HN 0.189 nan 8.270 nan 0.000 0.515 464 G N 0.771 109.561 108.800 -0.016 0.000 2.306 464 G HA2 -0.188 3.859 3.960 0.146 0.000 0.262 464 G HA3 -0.188 3.859 3.960 0.146 0.000 0.262 464 G C -0.932 173.933 174.900 -0.057 0.000 1.263 464 G CA -0.850 44.228 45.100 -0.037 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 0.423 4.991 4.480 0.146 0.000 0.338 465 M C -0.579 175.761 176.300 0.066 0.000 1.628 465 M CA -0.187 55.038 55.300 -0.124 0.000 1.215 465 M CB -0.158 32.229 32.600 -0.354 0.000 1.905 465 M HN 0.654 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 5.056 4.340 0.146 0.000 0.279 466 L C -0.831 176.101 176.870 0.102 0.000 1.014 466 L CA 0.078 54.978 54.840 0.100 0.000 0.814 466 L CB 1.926 43.945 42.059 -0.067 0.000 1.257 466 L HN 0.694 nan 8.230 nan 0.000 0.424 467 S N 2.410 118.228 115.700 0.196 0.000 2.614 467 S HA 0.562 5.120 4.470 0.146 0.000 0.275 467 S C -1.035 173.636 174.600 0.119 0.000 1.161 467 S CA -0.721 57.465 58.200 -0.024 0.000 0.969 467 S CB 0.698 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 1.332 120.176 119.070 -0.377 0.000 2.476 468 H HA 0.410 5.049 4.556 0.138 0.000 0.328 468 H C -1.383 173.588 175.328 -0.594 0.000 1.073 468 H CA -0.642 55.264 56.048 -0.237 0.000 1.229 468 H CB 1.028 30.758 29.762 -0.055 0.000 1.432 468 H HN 0.596 nan 8.280 nan 0.000 0.477 469 W N 4.577 125.588 121.300 -0.481 0.000 2.532 469 W HA 0.496 5.241 4.660 0.142 0.000 0.321 469 W C -0.427 175.715 176.519 -0.627 0.000 1.037 469 W CA -0.568 56.462 57.345 -0.526 0.000 1.220 469 W CB 1.007 30.138 29.460 -0.547 0.000 1.361 469 W HN 0.338 nan 8.180 nan 0.000 0.468 470 I N 2.895 123.349 120.570 -0.193 0.000 2.689 470 I HA 0.699 4.957 4.170 0.146 0.000 0.299 470 I C -1.337 174.839 176.117 0.100 0.000 1.059 470 I CA -1.272 59.907 61.300 -0.202 0.000 1.055 470 I CB 1.925 39.748 38.000 -0.294 0.000 1.243 470 I HN 0.106 nan 8.210 nan 0.000 0.425 471 V N 6.175 126.132 119.914 0.073 0.000 2.447 471 V HA 0.346 4.553 4.120 0.146 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 0.791 nan 8.190 nan 0.000 0.426 472 Q N 4.271 124.084 119.800 0.022 0.000 2.348 472 Q HA 0.850 5.278 4.340 0.146 0.000 0.271 472 Q C -0.740 175.246 176.000 -0.023 0.000 1.067 472 Q CA -0.798 55.006 55.803 0.001 0.000 0.839 472 Q CB 2.425 31.172 28.738 0.014 0.000 1.354 472 Q HN 0.450 nan 8.270 nan 0.000 0.447 473 R N 0.961 121.428 120.500 -0.054 0.000 2.531 473 R HA 0.485 4.912 4.340 0.146 0.000 0.293 473 R C -0.270 175.975 176.300 -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 3.812 3.960 0.146 0.000 0.244 474 G HA3 -0.236 3.812 3.960 0.146 0.000 0.244 474 G C 0.780 175.520 174.900 -0.267 0.000 1.005 474 G CA 0.649 45.674 45.100 -0.124 0.000 0.713 474 G HN 1.612 nan 8.290 nan 0.000 0.515 475 G N -1.739 106.720 108.800 -0.569 0.000 2.176 475 G HA2 -0.072 3.976 3.960 0.146 0.000 0.252 475 G HA3 -0.072 3.976 3.960 0.146 0.000 0.252 475 G C 0.057 174.697 174.900 -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 -0.343 119.908 120.400 -0.247 0.000 2.427 476 K HA 0.671 5.079 4.320 0.146 0.000 0.252 476 K C 0.378 176.943 176.600 -0.057 0.000 0.931 476 K CA -0.940 55.283 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 3.471 124.036 120.570 -0.008 0.000 2.471 477 I HA 0.023 4.280 4.170 0.146 0.000 0.286 477 I C 1.134 177.267 176.117 0.026 0.000 1.079 477 I CA 0.100 61.426 61.300 0.044 0.000 1.398 477 I CB 0.840 38.894 38.000 0.089 0.000 1.403 477 I HN 0.529 nan 8.210 nan 0.000 0.530 478 E N 3.765 123.984 120.200 0.031 0.000 2.162 478 E HA 0.106 4.543 4.350 0.146 0.000 0.193 478 E C 0.014 176.637 176.600 0.037 0.000 0.953 478 E CA 0.692 57.103 56.400 0.019 0.000 0.849 478 E CB 0.188 29.893 29.700 0.008 0.000 0.810 478 E HN 0.512 nan 8.360 nan 0.000 0.470 479 N N -0.730 118.010 118.700 0.066 0.000 2.371 479 N HA 0.229 5.057 4.740 0.146 0.000 0.280 479 N C -2.096 173.494 175.510 0.134 0.000 1.084 479 N CA -0.479 52.621 53.050 0.084 0.000 0.892 479 N CB 1.217 39.740 38.487 0.059 0.000 1.653 479 N HN -0.144 nan 8.380 nan 0.000 0.480 480 F N 2.477 122.439 119.950 0.021 0.000 2.745 480 F HA 0.416 5.029 4.527 0.144 0.000 0.343 480 F C -0.981 174.811 175.800 -0.012 0.000 1.196 480 F CA -0.398 57.609 58.000 0.011 0.000 1.021 480 F CB 1.100 40.080 39.000 -0.034 0.000 1.297 480 F HN 0.236 nan 8.300 nan 0.000 0.486 481 Q N 6.580 126.435 119.800 0.091 0.000 2.333 481 Q HA 0.586 5.013 4.340 0.146 0.000 0.267 481 Q C -1.045 175.017 176.000 0.103 0.000 1.012 481 Q CA -0.739 55.107 55.803 0.072 0.000 0.824 481 Q CB 3.036 31.729 28.738 -0.075 0.000 1.290 481 Q HN 0.658 nan 8.270 nan 0.000 0.449 482 L N 0.737 121.969 121.223 0.016 0.000 2.322 482 L HA 0.714 5.141 4.340 0.146 0.000 0.281 482 L C -0.249 176.658 176.870 0.061 0.000 1.014 482 L CA -1.241 53.546 54.840 -0.089 0.000 0.815 482 L CB 1.409 43.156 42.059 -0.520 0.000 1.247 482 L HN 0.137 nan 8.230 nan 0.000 0.421 483 V N 3.819 123.881 119.914 0.246 0.000 2.380 483 V HA 0.359 4.567 4.120 0.146 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 1.884 33.861 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 4.575 4.120 0.146 0.000 0.304 484 V C -1.023 175.336 176.094 0.442 0.000 1.053 484 V CA -1.571 60.963 62.300 0.390 0.000 0.984 484 V CB 1.854 33.926 31.823 0.415 0.000 1.021 484 V HN 0.578 nan 8.190 nan 0.000 0.467 485 P HA -0.134 nan 4.420 nan 0.000 0.215 485 P C 1.495 179.011 177.300 0.360 0.000 1.157 485 P CA 1.495 64.817 63.100 0.370 0.000 0.874 485 P CB 0.189 32.002 31.700 0.189 0.000 0.790 486 S N -0.818 115.049 115.700 0.278 0.000 2.507 486 S HA -0.066 4.491 4.470 0.146 0.000 0.235 486 S C 1.766 176.494 174.600 0.213 0.000 0.988 486 S CA 1.525 59.863 58.200 0.229 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 0.395 115.088 114.554 0.232 0.000 2.857 487 T HA -0.053 4.385 4.350 0.146 0.000 0.266 487 T C 1.291 176.030 174.700 0.066 0.000 1.048 487 T CA 0.729 62.900 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 2.301 123.673 121.300 0.119 0.000 2.352 488 W HA -0.033 4.709 4.660 0.137 0.000 0.322 488 W C 2.487 179.045 176.519 0.065 0.000 1.208 488 W CA 0.587 57.997 57.345 0.108 0.000 1.286 488 W CB -0.609 28.924 29.460 0.122 0.000 1.167 488 W HN 0.127 nan 8.180 nan 0.000 0.469 489 N N 0.176 119.061 118.700 0.307 0.000 2.069 489 N HA -0.126 4.701 4.740 0.146 0.000 0.191 489 N C 1.396 176.861 175.510 -0.075 0.000 1.031 489 N CA 1.460 54.564 53.050 0.090 0.000 0.852 489 N CB -0.872 37.693 38.487 0.129 0.000 1.018 489 N HN 0.158 nan 8.380 nan 0.000 0.423 490 L N 0.038 121.258 121.223 -0.005 0.000 2.769 490 L HA 0.334 4.762 4.340 0.146 0.000 0.240 490 L C 1.170 178.050 176.870 0.016 0.000 1.163 490 L CA -0.379 54.450 54.840 -0.019 0.000 0.962 490 L CB 0.423 42.495 42.059 0.022 0.000 1.258 490 L HN -0.024 nan 8.230 nan 0.000 0.513 491 G N 0.385 109.193 108.800 0.012 0.000 2.599 491 G HA2 0.382 4.430 3.960 0.146 0.000 0.264 491 G HA3 0.382 4.430 3.960 0.146 0.000 0.264 491 G C -2.390 172.486 174.900 -0.041 0.000 1.200 491 G CA -0.766 44.323 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 -0.606 62.355 63.100 -0.230 0.000 0.745 492 P CB 0.902 32.098 31.700 -0.840 0.000 1.331 493 R N -1.147 119.318 120.500 -0.057 0.000 2.637 493 R HA 0.263 4.690 4.340 0.146 0.000 0.269 493 R C 0.550 176.885 176.300 0.058 0.000 1.089 493 R CA -0.249 55.817 56.100 -0.058 0.000 1.177 493 R CB -0.277 29.882 30.300 -0.234 0.000 1.091 493 R HN 0.619 nan 8.270 nan 0.000 0.540 494 C N -1.138 118.153 119.300 -0.014 0.000 2.534 494 C HA 0.674 5.222 4.460 0.146 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 0.380 27.745 27.740 -0.626 0.000 1.954 494 C HN 0.857 nan 8.230 nan 0.000 0.508 495 A N -0.564 122.218 122.820 -0.063 0.000 1.969 495 A HA -0.058 4.350 4.320 0.146 0.000 0.218 495 A C 1.844 179.473 177.584 0.076 0.000 1.169 495 A CA 1.811 53.899 52.037 0.084 0.000 0.635 495 A CB -0.832 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 -1.003 119.191 120.200 -0.011 0.000 2.463 496 E HA 0.288 4.726 4.350 0.146 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 1.578 110.428 108.800 0.083 0.000 2.203 497 G HA2 -0.365 3.683 3.960 0.146 0.000 0.263 497 G HA3 -0.365 3.683 3.960 0.146 0.000 0.263 497 G C -0.161 174.708 174.900 -0.050 0.000 1.012 497 G CA 0.523 45.647 45.100 0.039 0.000 0.749 497 G HN 0.230 nan 8.290 nan 0.000 0.512 498 K N -0.463 119.906 120.400 -0.053 0.000 2.218 498 K HA 0.518 4.925 4.320 0.146 0.000 0.276 498 K C 0.303 176.855 176.600 -0.079 0.000 1.022 498 K CA -0.827 55.424 56.287 -0.061 0.000 0.946 498 K CB 1.447 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 2.207 123.375 121.223 -0.092 0.000 2.380 499 L HA -0.001 4.427 4.340 0.146 0.000 0.273 499 L C 0.792 177.623 176.870 -0.065 0.000 1.138 499 L CA 0.543 55.319 54.840 -0.106 0.000 0.832 499 L CB 0.987 42.964 42.059 -0.137 0.000 1.124 499 L HN 0.792 nan 8.230 nan 0.000 0.454 500 S N 2.468 118.135 115.700 -0.054 0.000 2.608 500 S HA 0.361 4.918 4.470 0.146 0.000 0.261 500 S C 1.344 175.913 174.600 -0.050 0.000 1.314 500 S CA -0.167 58.018 58.200 -0.026 0.000 0.992 500 S CB 0.904 64.090 63.200 -0.024 0.000 0.935 500 S HN 0.732 nan 8.310 nan 0.000 0.564 501 A N 0.686 123.484 122.820 -0.037 0.000 1.940 501 A HA -0.050 4.358 4.320 0.146 0.000 0.219 501 A C 2.231 179.713 177.584 -0.170 0.000 1.176 501 A CA 1.766 53.774 52.037 -0.049 0.000 0.631 501 A CB -1.274 17.758 19.000 0.053 0.000 0.814 501 A HN 0.992 nan 8.150 nan 0.000 0.446 502 V N -0.105 119.586 119.914 -0.371 0.000 2.379 502 V HA -0.222 3.985 4.120 0.146 0.000 0.245 502 V C 2.266 178.283 176.094 -0.128 0.000 1.044 502 V CA 2.587 64.647 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 -0.512 119.618 120.200 -0.115 0.000 2.058 503 E HA -0.328 4.110 4.350 0.146 0.000 0.194 503 E C 2.220 178.761 176.600 -0.099 0.000 0.997 503 E CA 1.774 58.104 56.400 -0.117 0.000 0.801 503 E CB -0.196 29.410 29.700 -0.157 0.000 0.746 503 E HN 0.563 nan 8.360 nan 0.000 0.450 504 Q N 0.594 120.349 119.800 -0.075 0.000 2.119 504 Q HA -0.061 4.367 4.340 0.146 0.000 0.201 504 Q C 1.892 177.901 176.000 0.016 0.000 0.972 504 Q CA 1.661 57.438 55.803 -0.045 0.000 0.847 504 Q CB -0.307 28.405 28.738 -0.043 0.000 0.903 504 Q HN 0.256 nan 8.270 nan 0.000 0.433 505 A N -0.064 122.800 122.820 0.074 0.000 2.019 505 A HA -0.096 4.312 4.320 0.146 0.000 0.219 505 A C 2.028 179.690 177.584 0.131 0.000 1.164 505 A CA 1.065 53.201 52.037 0.165 0.000 0.644 505 A CB -0.584 18.617 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 -0.042 4.386 4.340 0.146 0.000 0.205 506 L C 0.203 177.093 176.870 0.033 0.000 1.079 506 L CA 0.045 54.925 54.840 0.066 0.000 0.752 506 L CB -0.472 41.604 42.059 0.028 0.000 0.906 506 L HN 0.228 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 4.250 4.170 0.146 0.000 0.294 507 I C 1.365 177.478 176.117 -0.007 0.000 1.210 507 I CA 1.310 62.592 61.300 -0.029 0.000 1.430 507 I CB 0.029 37.995 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 3.787 3.960 0.146 0.000 0.240 508 G HA3 -0.261 3.787 3.960 0.146 0.000 0.240 508 G C 0.581 175.469 174.900 -0.021 0.000 1.010 508 G CA 0.119 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 4.690 119.245 114.554 0.001 0.000 2.908 509 T HA 0.436 4.874 4.350 0.146 0.000 0.301 509 T C -1.911 172.790 174.700 0.000 0.000 1.019 509 T CA 0.471 62.571 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 -0.805 176.529 177.300 0.058 0.000 1.259 510 P CA -0.510 62.588 63.100 -0.003 0.000 0.794 510 P CB 0.798 32.472 31.700 -0.044 0.000 0.940 511 I N 2.427 123.035 120.570 0.064 0.000 2.382 511 I HA 0.253 4.511 4.170 0.146 0.000 0.285 511 I C 1.366 177.531 176.117 0.079 0.000 1.007 511 I CA -0.852 60.501 61.300 0.088 0.000 1.142 511 I CB 1.269 39.309 38.000 0.068 0.000 1.289 511 I HN 0.350 nan 8.210 nan 0.000 0.453 512 A N 5.078 127.968 122.820 0.117 0.000 1.825 512 A HA -0.116 4.291 4.320 0.146 0.000 0.214 512 A C 0.745 178.341 177.584 0.021 0.000 1.206 512 A CA 1.417 53.507 52.037 0.088 0.000 0.609 512 A CB -0.143 18.949 19.000 0.153 0.000 0.851 512 A HN 0.710 nan 8.150 nan 0.000 0.445 513 D N -1.528 118.872 120.400 0.000 0.000 2.441 513 D HA 0.454 5.181 4.640 0.146 0.000 0.231 513 D C -2.312 173.978 176.300 -0.016 0.000 1.073 513 D CA -2.256 51.710 54.000 -0.057 0.000 0.850 513 D CB 1.501 42.190 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 0.682 177.965 177.300 -0.028 0.000 1.153 514 P CA 0.687 63.783 63.100 -0.006 0.000 0.777 514 P CB 0.457 32.161 31.700 0.007 0.000 0.794 515 K N -0.819 119.554 120.400 -0.044 0.000 2.418 515 K HA 0.094 4.502 4.320 0.146 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 0.601 120.965 120.500 -0.226 0.000 2.754 516 R HA 0.144 4.571 4.340 0.146 0.000 0.255 516 R C -2.643 173.340 176.300 -0.530 0.000 1.723 516 R CA -0.968 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 0.696 177.981 177.300 -0.025 0.000 1.847 517 P CA -0.085 62.946 63.100 -0.114 0.000 1.059 517 P CB 1.118 32.809 31.700 -0.016 0.000 1.900 518 V N 2.793 122.676 119.914 -0.051 0.000 2.759 518 V HA -0.209 3.998 4.120 0.146 0.000 0.256 518 V C 1.817 177.880 176.094 -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 0.170 120.396 120.200 0.043 0.000 2.204 519 E HA -0.127 4.311 4.350 0.146 0.000 0.194 519 E C 1.910 178.626 176.600 0.193 0.000 0.989 519 E CA 1.405 57.923 56.400 0.197 0.000 0.824 519 E CB -0.227 29.708 29.700 0.392 0.000 0.756 519 E HN 0.636 nan 8.360 nan 0.000 0.477 520 I N -0.009 120.641 120.570 0.134 0.000 2.353 520 I HA -0.202 4.056 4.170 0.146 0.000 0.248 520 I C 1.644 177.814 176.117 0.088 0.000 1.119 520 I CA 0.539 61.914 61.300 0.126 0.000 1.417 520 I CB -0.030 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 0.441 121.702 121.223 0.063 0.000 2.083 521 L HA -0.155 4.272 4.340 0.146 0.000 0.209 521 L C 2.573 179.500 176.870 0.095 0.000 1.083 521 L CA 1.710 56.566 54.840 0.025 0.000 0.752 521 L CB -0.618 41.530 42.059 0.149 0.000 0.899 521 L HN 0.071 nan 8.230 nan 0.000 0.433 522 R N -1.515 118.958 120.500 -0.045 0.000 2.081 522 R HA -0.126 4.302 4.340 0.146 0.000 0.235 522 R C 2.182 178.611 176.300 0.216 0.000 1.131 522 R CA 1.845 57.879 56.100 -0.111 0.000 0.960 522 R CB -0.620 29.131 30.300 -0.914 0.000 0.856 522 R HN 0.317 nan 8.270 nan 0.000 0.436 523 T N 0.294 114.982 114.554 0.224 0.000 2.732 523 T HA -0.071 4.367 4.350 0.146 0.000 0.261 523 T C 1.949 176.840 174.700 0.318 0.000 1.040 523 T CA 1.235 63.531 62.100 0.327 0.000 1.145 523 T CB -0.135 68.940 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 3.976 4.120 0.146 0.000 0.248 524 V C 2.165 178.352 176.094 0.154 0.000 1.053 524 V CA 1.895 64.274 62.300 0.131 0.000 1.027 524 V CB -0.714 31.089 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 4.538 4.556 0.139 0.000 0.294 525 H C 2.431 177.722 175.328 -0.062 0.000 1.064 525 H CA 1.237 57.315 56.048 0.049 0.000 1.330 525 H CB 0.006 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 -0.035 115.732 115.700 0.112 0.000 2.442 526 S HA -0.203 4.355 4.470 0.146 0.000 0.236 526 S C 1.476 176.032 174.600 -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 1.592 121.929 120.300 0.062 0.000 2.546 527 Y HA 0.196 4.829 4.550 0.138 0.000 0.287 527 Y C 0.740 176.631 175.900 -0.016 0.000 1.158 527 Y CA 0.163 58.289 58.100 0.043 0.000 1.307 527 Y CB -0.163 38.343 38.460 0.077 0.000 1.036 527 Y HN 0.211 nan 8.280 nan 0.000 0.532 528 D N 0.186 120.615 120.400 0.048 0.000 2.737 528 D HA -0.147 4.581 4.640 0.146 0.000 0.238 528 D C -2.703 173.664 176.300 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 40.262 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 1.006 32.786 31.700 0.132 0.000 0.855 530 C N 4.935 124.324 119.300 0.148 0.000 2.654 530 C HA 0.292 4.840 4.460 0.146 0.000 0.315 530 C C 1.353 176.435 174.990 0.155 0.000 1.054 530 C CA -0.386 58.721 59.018 0.149 0.000 1.419 530 C CB -1.357 26.481 27.740 0.164 0.000 1.889 530 C HN 0.442 nan 8.230 nan 0.000 0.447 531 I N 3.586 124.237 120.570 0.135 0.000 2.439 531 I HA 0.018 4.276 4.170 0.146 0.000 0.251 531 I C 2.535 178.743 176.117 0.151 0.000 1.139 531 I CA 1.744 63.133 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 -0.502 122.400 122.820 0.136 0.000 1.902 532 A HA -0.222 4.185 4.320 0.146 0.000 0.217 532 A C 2.523 180.199 177.584 0.154 0.000 1.181 532 A CA 1.914 54.026 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 0.487 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 4.636 4.460 0.146 0.000 0.278 533 C C 3.028 178.241 174.990 0.371 0.000 1.274 533 C CA 0.618 59.817 59.018 0.301 0.000 1.713 533 C CB -1.478 26.463 27.740 0.334 0.000 2.039 533 C HN 0.696 nan 8.230 nan 0.000 0.484 534 G N -0.191 108.765 108.800 0.259 0.000 2.432 534 G HA2 -0.114 3.933 3.960 0.146 0.000 0.219 534 G HA3 -0.114 3.933 3.960 0.146 0.000 0.219 534 G C 1.511 176.458 174.900 0.079 0.000 1.135 534 G CA 1.587 46.819 45.100 0.221 0.000 0.767 534 G HN 0.442 nan 8.290 nan 0.000 0.550 535 V N 0.886 120.791 119.914 -0.014 0.000 2.922 535 V HA 0.149 4.357 4.120 0.146 0.000 0.242 535 V C 1.091 176.797 176.094 -0.646 0.000 1.094 535 V CA 0.543 62.725 62.300 -0.195 0.000 1.106 535 V CB -0.648 31.244 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 4.639 4.556 0.138 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