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 2o5c_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRLFIAEKPS LARAIADVLP KPHRKGDGFI ECGNGQVVTW CIGHLLEQAQ DATA SEQUENCE PDAYDSRYAR WNLADLPIVP EKWQLQPRPS VTKQLNVIKR FLHEASEIVH DATA SEQUENCE AGDPDREGQL LVDEVLDYLQ LAPEKRQQVQ RCLINDLNPQ AVERAIDRLR DATA SEQUENCE SNSEFVPLCV SALARARADW LYGINMTRAY TILGRNAGYQ GVLSVGRVQT DATA SEQUENCE PVLGLVVRRD EEIENFVAKD FFEVKAHIVT PADERFTAIW QPSEACEPYQ DATA SEQUENCE DEEGRLLHRP LAEHVVNRIS GQPAIVTSYN DKRESESAPL PFSLSALQIE DATA SEQUENCE AAKRFGLSAQ NVLDICQKLY ETHKLITYPR SDCRYLPEEH FAGRHAVMNA DATA SEQUENCE ISVHAPDLLP QPVVDPDIRN RCWDDKKVDA HHAIIPTARS SAINLTENEA DATA SEQUENCE KVYNLIARQY LMQFCPDAVF RKCVIELDIA KGKFVAKARF LAEAGWRTLL DATA SEQUENCE GSKERDEEND GTPLPVVAKG DELLCEKGEV VERQTQPPRH FTDATLLSAM DATA SEQUENCE TGIARFVQDK DLKKILRATD GLGTEATRAG IIELLFKRGF LTKKGRYIHS DATA SEQUENCE TDAGKALFHS LPEMATRPDM TAHWESVLTQ ISEKQCRYQD FMQPLVGTLY DATA SEQUENCE QLIDQAKRTP VRQFRGIVAP XXXXXXXXXX XXXXXXXXXX XXXXXEVGSG DATA SEQUENCE AIAHHHHHH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.319 55.300 0.032 0.000 0.988 1 M CB 0.000 32.628 32.600 0.047 0.000 1.302 2 R N 3.498 124.006 120.500 0.014 0.000 2.338 2 R HA 0.722 5.061 4.340 -0.000 0.000 0.317 2 R C -1.675 174.604 176.300 -0.035 0.000 0.968 2 R CA -0.597 55.480 56.100 -0.038 0.000 0.849 2 R CB 1.394 31.671 30.300 -0.039 0.000 1.128 2 R HN 0.653 nan 8.270 nan 0.000 0.448 3 L N 5.366 126.518 121.223 -0.119 0.000 2.287 3 L HA 0.483 4.823 4.340 -0.000 0.000 0.287 3 L C -1.563 175.196 176.870 -0.184 0.000 1.022 3 L CA -0.141 54.642 54.840 -0.094 0.000 0.814 3 L CB 0.980 42.987 42.059 -0.085 0.000 1.217 3 L HN 0.522 nan 8.230 nan 0.000 0.420 4 F N 5.844 125.751 119.950 -0.071 0.000 2.410 4 F HA 0.492 5.019 4.527 -0.000 0.000 0.349 4 F C 0.144 175.917 175.800 -0.045 0.000 1.117 4 F CA -0.298 57.677 58.000 -0.042 0.000 1.104 4 F CB 1.023 40.008 39.000 -0.025 0.000 1.122 4 F HN 0.250 nan 8.300 nan 0.000 0.483 5 I N 3.910 124.536 120.570 0.094 0.000 2.359 5 I HA 0.518 4.688 4.170 -0.000 0.000 0.284 5 I C 0.000 176.167 176.117 0.082 0.000 1.018 5 I CA -0.554 60.773 61.300 0.044 0.000 1.173 5 I CB 0.934 38.897 38.000 -0.063 0.000 1.326 5 I HN 0.647 nan 8.210 nan 0.000 0.462 6 A N 4.232 127.141 122.820 0.148 0.000 2.269 6 A HA 0.406 4.726 4.320 -0.000 0.000 0.319 6 A C 1.055 178.718 177.584 0.131 0.000 1.110 6 A CA -0.398 51.726 52.037 0.145 0.000 0.847 6 A CB 1.027 20.123 19.000 0.160 0.000 1.161 6 A HN 0.753 nan 8.150 nan 0.000 0.497 7 E N 0.390 120.644 120.200 0.090 0.000 2.085 7 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 7 E C 0.517 177.176 176.600 0.099 0.000 0.994 7 E CA 2.159 58.603 56.400 0.074 0.000 0.801 7 E CB -0.080 29.658 29.700 0.064 0.000 0.743 7 E HN 0.630 nan 8.360 nan 0.000 0.453 8 K N -3.846 116.600 120.400 0.077 0.000 2.578 8 K HA 0.253 4.573 4.320 -0.000 0.000 0.287 8 K C -2.605 173.830 176.600 -0.275 0.000 1.010 8 K CA -1.433 54.840 56.287 -0.022 0.000 0.889 8 K CB 1.372 33.850 32.500 -0.037 0.000 1.514 8 K HN -0.366 nan 8.250 nan 0.000 0.424 9 P HA -0.285 nan 4.420 nan 0.000 0.216 9 P C 1.555 178.493 177.300 -0.604 0.000 1.157 9 P CA 2.465 64.865 63.100 -1.167 0.000 0.880 9 P CB 0.003 31.090 31.700 -1.022 0.000 0.791 10 S N -1.156 114.319 115.700 -0.375 0.000 2.399 10 S HA -0.146 4.324 4.470 -0.000 0.000 0.231 10 S C 1.904 176.373 174.600 -0.218 0.000 1.022 10 S CA 1.074 59.114 58.200 -0.268 0.000 0.983 10 S CB -1.495 61.579 63.200 -0.210 0.000 0.803 10 S HN 0.021 nan 8.310 nan 0.000 0.480 11 L N 1.616 122.737 121.223 -0.170 0.000 2.131 11 L HA 0.331 4.671 4.340 -0.000 0.000 0.206 11 L C 2.643 179.451 176.870 -0.104 0.000 1.087 11 L CA 1.403 56.177 54.840 -0.110 0.000 0.767 11 L CB -1.009 41.031 42.059 -0.031 0.000 0.917 11 L HN 0.342 nan 8.230 nan 0.000 0.441 12 A N -0.132 122.626 122.820 -0.104 0.000 1.902 12 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 12 A C 2.376 179.887 177.584 -0.122 0.000 1.181 12 A CA 1.692 53.706 52.037 -0.039 0.000 0.623 12 A CB -0.517 18.575 19.000 0.152 0.000 0.818 12 A HN 0.497 nan 8.150 nan 0.000 0.443 13 R N -0.434 119.951 120.500 -0.192 0.000 2.096 13 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 13 R C 2.401 178.591 176.300 -0.183 0.000 1.127 13 R CA 1.178 57.165 56.100 -0.189 0.000 0.968 13 R CB -0.493 29.687 30.300 -0.200 0.000 0.861 13 R HN 0.499 nan 8.270 nan 0.000 0.440 14 A N 1.057 123.774 122.820 -0.173 0.000 1.972 14 A HA -0.108 4.211 4.320 -0.000 0.000 0.219 14 A C 2.090 179.574 177.584 -0.167 0.000 1.169 14 A CA 1.131 53.074 52.037 -0.157 0.000 0.635 14 A CB -0.333 18.576 19.000 -0.152 0.000 0.810 14 A HN 0.178 nan 8.150 nan 0.000 0.446 15 I N -0.766 119.686 120.570 -0.197 0.000 2.277 15 I HA -0.141 4.029 4.170 -0.000 0.000 0.243 15 I C 2.960 178.868 176.117 -0.348 0.000 1.094 15 I CA 0.831 61.964 61.300 -0.278 0.000 1.393 15 I CB -0.355 37.446 38.000 -0.332 0.000 1.078 15 I HN 0.310 nan 8.210 nan 0.000 0.417 16 A N 0.460 123.075 122.820 -0.341 0.000 1.908 16 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 16 A C 1.996 179.215 177.584 -0.607 0.000 1.181 16 A CA 2.079 53.844 52.037 -0.455 0.000 0.627 16 A CB -0.721 18.045 19.000 -0.390 0.000 0.818 16 A HN 0.372 nan 8.150 nan 0.000 0.445 17 D N -0.412 119.758 120.400 -0.383 0.000 2.172 17 D HA -0.151 4.489 4.640 -0.000 0.000 0.196 17 D C 1.894 178.154 176.300 -0.066 0.000 0.999 17 D CA 2.094 55.976 54.000 -0.196 0.000 0.856 17 D CB -0.163 40.576 40.800 -0.102 0.000 0.934 17 D HN 0.515 nan 8.370 nan 0.000 0.453 18 V N -1.623 118.221 119.914 -0.117 0.000 3.647 18 V HA 0.238 4.358 4.120 -0.000 0.000 0.279 18 V C 0.808 176.879 176.094 -0.038 0.000 1.314 18 V CA -0.179 62.091 62.300 -0.051 0.000 1.125 18 V CB -0.368 31.417 31.823 -0.063 0.000 0.907 18 V HN -0.089 nan 8.190 nan 0.000 0.434 19 L N 0.881 122.062 121.223 -0.071 0.000 2.399 19 L HA 0.548 4.888 4.340 -0.000 0.000 0.265 19 L C -2.196 174.795 176.870 0.201 0.000 1.089 19 L CA -2.127 52.707 54.840 -0.009 0.000 0.802 19 L CB 1.168 43.150 42.059 -0.129 0.000 1.180 19 L HN 0.019 nan 8.230 nan 0.000 0.454 20 P HA 0.063 nan 4.420 nan 0.000 0.266 20 P C -1.024 176.345 177.300 0.116 0.000 1.195 20 P CA -0.008 63.161 63.100 0.115 0.000 0.768 20 P CB 0.439 32.181 31.700 0.070 0.000 0.838 21 K N 3.239 123.597 120.400 -0.070 0.000 2.107 21 K HA 0.368 4.688 4.320 -0.000 0.000 0.251 21 K C -1.905 174.637 176.600 -0.097 0.000 1.012 21 K CA -1.504 54.616 56.287 -0.277 0.000 0.920 21 K CB -0.233 32.050 32.500 -0.362 0.000 1.033 21 K HN 0.440 nan 8.250 nan 0.000 0.478 22 P HA 0.125 nan 4.420 nan 0.000 0.278 22 P C -1.281 175.990 177.300 -0.048 0.000 1.238 22 P CA -0.193 62.820 63.100 -0.146 0.000 0.794 22 P CB 0.473 32.140 31.700 -0.055 0.000 0.955 23 H N 0.907 119.982 119.070 0.008 0.000 2.640 23 H HA 0.368 4.924 4.556 -0.000 0.000 0.297 23 H C 0.586 175.923 175.328 0.015 0.000 1.073 23 H CA -0.718 55.336 56.048 0.011 0.000 1.305 23 H CB 1.159 30.917 29.762 -0.006 0.000 1.404 23 H HN 0.251 nan 8.280 nan 0.000 0.459 24 R N 3.809 124.397 120.500 0.148 0.000 2.265 24 R HA 0.205 4.544 4.340 -0.000 0.000 0.328 24 R C -0.852 175.478 176.300 0.050 0.000 0.969 24 R CA -0.877 55.277 56.100 0.090 0.000 0.832 24 R CB 0.561 30.920 30.300 0.098 0.000 1.139 24 R HN 0.584 nan 8.270 nan 0.000 0.457 25 K N 2.608 123.008 120.400 -0.001 0.000 2.383 25 K HA 0.190 4.510 4.320 -0.000 0.000 0.286 25 K C 0.221 176.696 176.600 -0.209 0.000 1.051 25 K CA 0.002 56.244 56.287 -0.076 0.000 0.974 25 K CB 1.398 33.871 32.500 -0.044 0.000 0.968 25 K HN 0.746 nan 8.250 nan 0.000 0.475 26 G N 1.166 109.630 108.800 -0.560 0.000 3.016 26 G HA2 0.087 4.047 3.960 -0.000 0.000 0.270 26 G HA3 0.087 4.047 3.960 -0.000 0.000 0.270 26 G C -1.177 173.235 174.900 -0.813 0.000 1.352 26 G CA -0.480 44.024 45.100 -0.993 0.000 1.060 26 G HN 0.541 nan 8.290 nan 0.000 0.538 27 D N -0.567 119.483 120.400 -0.584 0.000 2.435 27 D HA 0.437 5.077 4.640 -0.000 0.000 0.230 27 D C 1.190 177.459 176.300 -0.051 0.000 1.215 27 D CA 0.958 54.865 54.000 -0.154 0.000 0.947 27 D CB -0.197 40.618 40.800 0.025 0.000 1.048 27 D HN 1.035 nan 8.370 nan 0.000 0.512 28 G N 2.970 111.711 108.800 -0.099 0.000 2.157 28 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.239 28 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.239 28 G C 0.058 174.500 174.900 -0.763 0.000 0.982 28 G CA 0.265 45.192 45.100 -0.288 0.000 0.650 28 G HN 0.648 nan 8.290 nan 0.000 0.527 29 F N -1.825 117.847 119.950 -0.464 0.000 2.741 29 F HA 0.813 5.340 4.527 -0.000 0.000 0.313 29 F C -1.007 174.809 175.800 0.027 0.000 1.153 29 F CA -2.330 55.444 58.000 -0.377 0.000 0.931 29 F CB 0.926 39.708 39.000 -0.364 0.000 1.335 29 F HN 0.033 nan 8.300 nan 0.000 0.460 30 I N 1.441 122.144 120.570 0.222 0.000 2.447 30 I HA 0.332 4.502 4.170 -0.000 0.000 0.287 30 I C -0.881 175.353 176.117 0.196 0.000 1.023 30 I CA -0.566 60.826 61.300 0.154 0.000 1.083 30 I CB 1.931 39.994 38.000 0.104 0.000 1.245 30 I HN 0.733 nan 8.210 nan 0.000 0.434 31 E N 5.902 126.249 120.200 0.245 0.000 2.167 31 E HA 0.441 4.791 4.350 -0.000 0.000 0.284 31 E C -1.182 175.512 176.600 0.156 0.000 1.016 31 E CA -0.447 56.072 56.400 0.197 0.000 0.817 31 E CB 1.090 30.949 29.700 0.265 0.000 1.080 31 E HN 0.683 nan 8.360 nan 0.000 0.397 32 C N 2.963 122.340 119.300 0.128 0.000 2.531 32 C HA 0.694 5.153 4.460 -0.000 0.000 0.369 32 C C 0.968 176.036 174.990 0.130 0.000 1.258 32 C CA -0.622 58.502 59.018 0.177 0.000 1.876 32 C CB 0.992 28.817 27.740 0.142 0.000 2.256 32 C HN 0.916 nan 8.230 nan 0.000 0.510 33 G N 0.350 109.224 108.800 0.124 0.000 2.634 33 G HA2 0.355 4.315 3.960 -0.000 0.000 0.255 33 G HA3 0.355 4.315 3.960 -0.000 0.000 0.255 33 G C 0.301 175.245 174.900 0.074 0.000 1.205 33 G CA 0.374 45.520 45.100 0.077 0.000 0.884 33 G HN 1.086 nan 8.290 nan 0.000 0.549 34 N N -1.319 117.416 118.700 0.058 0.000 2.735 34 N HA -0.116 4.624 4.740 -0.000 0.000 0.248 34 N C 1.091 176.639 175.510 0.063 0.000 1.083 34 N CA 2.225 55.308 53.050 0.056 0.000 0.703 34 N CB -1.237 37.283 38.487 0.055 0.000 1.005 34 N HN 2.101 nan 8.380 nan 0.000 0.550 35 G N -0.593 108.244 108.800 0.063 0.000 2.295 35 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.287 35 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.287 35 G C -0.584 174.359 174.900 0.072 0.000 1.055 35 G CA 0.567 45.705 45.100 0.062 0.000 0.922 35 G HN 0.571 nan 8.290 nan 0.000 0.503 36 Q N -0.676 119.176 119.800 0.087 0.000 2.322 36 Q HA 0.623 4.963 4.340 -0.000 0.000 0.265 36 Q C -0.197 175.850 176.000 0.077 0.000 0.985 36 Q CA -0.627 55.248 55.803 0.120 0.000 0.849 36 Q CB 2.632 31.458 28.738 0.147 0.000 1.274 36 Q HN 0.287 nan 8.270 nan 0.000 0.449 37 V N 2.408 122.352 119.914 0.051 0.000 2.540 37 V HA 0.478 4.598 4.120 -0.000 0.000 0.302 37 V C -0.180 175.907 176.094 -0.011 0.000 1.035 37 V CA -0.847 61.402 62.300 -0.086 0.000 0.873 37 V CB 2.123 33.707 31.823 -0.398 0.000 0.992 37 V HN 0.493 nan 8.190 nan 0.000 0.428 38 V N 3.578 123.487 119.914 -0.009 0.000 2.435 38 V HA 0.688 4.808 4.120 -0.000 0.000 0.290 38 V C 0.211 176.327 176.094 0.038 0.000 1.030 38 V CA -0.071 62.268 62.300 0.064 0.000 0.881 38 V CB 1.605 33.449 31.823 0.035 0.000 0.983 38 V HN 0.981 nan 8.190 nan 0.000 0.445 39 T N 3.532 118.099 114.554 0.021 0.000 2.693 39 T HA 0.834 5.184 4.350 -0.000 0.000 0.278 39 T C -1.903 172.880 174.700 0.137 0.000 0.994 39 T CA -0.455 61.563 62.100 -0.136 0.000 1.033 39 T CB 1.672 70.349 68.868 -0.319 0.000 1.342 39 T HN 0.893 nan 8.240 nan 0.000 0.538 40 W N -0.708 120.602 121.300 0.016 0.000 3.066 40 W HA 0.682 5.342 4.660 -0.000 0.000 0.330 40 W C -1.577 174.942 176.519 -0.000 0.000 1.253 40 W CA -1.133 56.212 57.345 0.001 0.000 1.187 40 W CB -0.058 29.399 29.460 -0.003 0.000 1.434 40 W HN 0.649 nan 8.180 nan 0.000 0.572 41 C N 1.860 121.309 119.300 0.248 0.000 2.459 41 C HA 0.667 5.127 4.460 -0.000 0.000 0.374 41 C C 0.374 175.536 174.990 0.286 0.000 1.241 41 C CA -0.375 58.739 59.018 0.160 0.000 2.352 41 C CB 0.086 27.861 27.740 0.059 0.000 2.490 41 C HN 0.493 nan 8.230 nan 0.000 0.583 42 I N 2.786 123.478 120.570 0.203 0.000 2.405 42 I HA 0.484 4.654 4.170 -0.000 0.000 0.280 42 I C 0.980 177.174 176.117 0.129 0.000 1.027 42 I CA 0.520 61.934 61.300 0.189 0.000 1.161 42 I CB 0.269 38.385 38.000 0.193 0.000 1.300 42 I HN 1.041 nan 8.210 nan 0.000 0.463 43 G N 5.593 114.467 108.800 0.125 0.000 2.581 43 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.291 43 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.291 43 G C -0.039 174.960 174.900 0.166 0.000 1.277 43 G CA -0.293 44.903 45.100 0.160 0.000 0.959 43 G HN 0.708 nan 8.290 nan 0.000 0.554 44 H N 0.472 119.559 119.070 0.028 0.000 2.767 44 H HA 0.288 4.844 4.556 -0.000 0.000 0.316 44 H C 1.371 176.697 175.328 -0.003 0.000 1.059 44 H CA 0.053 56.108 56.048 0.011 0.000 1.461 44 H CB 0.781 30.550 29.762 0.011 0.000 1.475 44 H HN 0.322 nan 8.280 nan 0.000 0.531 45 L N 3.548 124.802 121.223 0.052 0.000 2.446 45 L HA 0.103 4.443 4.340 -0.000 0.000 0.219 45 L C 0.302 177.141 176.870 -0.052 0.000 1.116 45 L CA 0.657 55.497 54.840 -0.001 0.000 0.844 45 L CB 0.194 42.232 42.059 -0.035 0.000 0.970 45 L HN 0.342 nan 8.230 nan 0.000 0.457 46 L N -0.512 120.688 121.223 -0.038 0.000 2.354 46 L HA 0.451 4.791 4.340 -0.000 0.000 0.264 46 L C -0.631 176.255 176.870 0.027 0.000 1.008 46 L CA -0.547 54.238 54.840 -0.091 0.000 0.819 46 L CB 2.298 44.251 42.059 -0.178 0.000 1.339 46 L HN 0.014 nan 8.230 nan 0.000 0.420 47 E N 0.545 120.749 120.200 0.006 0.000 2.408 47 E HA 0.380 4.730 4.350 -0.000 0.000 0.275 47 E C -1.590 175.042 176.600 0.053 0.000 0.935 47 E CA -1.148 55.286 56.400 0.058 0.000 0.775 47 E CB 1.404 31.140 29.700 0.061 0.000 1.277 47 E HN 0.257 nan 8.360 nan 0.000 0.455 48 Q N 0.634 120.478 119.800 0.074 0.000 2.304 48 Q HA 0.160 4.500 4.340 -0.000 0.000 0.301 48 Q C -0.012 176.049 176.000 0.102 0.000 1.063 48 Q CA 0.306 56.125 55.803 0.027 0.000 0.947 48 Q CB 0.791 29.458 28.738 -0.117 0.000 1.201 48 Q HN 0.628 nan 8.270 nan 0.000 0.389 49 A N 4.206 127.069 122.820 0.072 0.000 2.498 49 A HA 0.051 4.371 4.320 -0.000 0.000 0.239 49 A C 0.454 178.228 177.584 0.316 0.000 1.068 49 A CA -0.371 51.720 52.037 0.090 0.000 0.766 49 A CB 0.302 19.226 19.000 -0.127 0.000 1.003 49 A HN 0.596 nan 8.150 nan 0.000 0.497 50 Q N 1.635 121.623 119.800 0.314 0.000 2.474 50 Q HA 0.060 4.400 4.340 -0.000 0.000 0.256 50 Q C -1.594 174.727 176.000 0.535 0.000 1.048 50 Q CA -1.391 54.670 55.803 0.430 0.000 0.922 50 Q CB -0.351 28.546 28.738 0.266 0.000 1.288 50 Q HN 0.472 nan 8.270 nan 0.000 0.484 51 P HA -0.194 nan 4.420 nan 0.000 0.217 51 P C 0.701 178.350 177.300 0.581 0.000 1.148 51 P CA 1.571 65.049 63.100 0.630 0.000 0.828 51 P CB 0.093 31.951 31.700 0.263 0.000 0.783 52 D N -0.517 120.103 120.400 0.367 0.000 2.310 52 D HA -0.093 4.547 4.640 -0.000 0.000 0.212 52 D C 1.644 178.021 176.300 0.128 0.000 0.965 52 D CA 0.929 55.077 54.000 0.247 0.000 0.879 52 D CB -0.533 40.373 40.800 0.175 0.000 0.921 52 D HN 0.108 nan 8.370 nan 0.000 0.510 53 A N 0.250 123.109 122.820 0.065 0.000 2.019 53 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 53 A C 1.639 179.077 177.584 -0.244 0.000 1.164 53 A CA 0.852 52.802 52.037 -0.144 0.000 0.644 53 A CB -0.783 18.040 19.000 -0.295 0.000 0.805 53 A HN 0.277 nan 8.150 nan 0.000 0.449 54 Y N -1.074 119.286 120.300 0.099 0.000 2.347 54 Y HA 0.175 4.725 4.550 -0.000 0.000 0.294 54 Y C 0.634 176.513 175.900 -0.034 0.000 1.117 54 Y CA 0.749 58.888 58.100 0.065 0.000 1.184 54 Y CB 0.510 39.061 38.460 0.152 0.000 1.047 54 Y HN 0.237 nan 8.280 nan 0.000 0.546 55 D N -1.237 119.164 120.400 0.002 0.000 2.966 55 D HA 0.097 4.737 4.640 -0.000 0.000 0.222 55 D C 0.532 176.686 176.300 -0.244 0.000 1.292 55 D CA 0.307 54.118 54.000 -0.315 0.000 0.907 55 D CB 1.670 41.950 40.800 -0.867 0.000 1.621 55 D HN 0.085 nan 8.370 nan 0.000 0.557 56 S N 3.692 119.314 115.700 -0.130 0.000 2.400 56 S HA -0.278 4.192 4.470 -0.000 0.000 0.232 56 S C 1.767 176.355 174.600 -0.022 0.000 1.025 56 S CA 1.237 59.412 58.200 -0.042 0.000 0.993 56 S CB -0.366 62.815 63.200 -0.030 0.000 0.808 56 S HN 0.708 nan 8.310 nan 0.000 0.478 57 R N -0.244 120.198 120.500 -0.095 0.000 2.193 57 R HA -0.059 4.281 4.340 -0.000 0.000 0.229 57 R C 1.211 177.587 176.300 0.126 0.000 1.110 57 R CA 1.257 57.346 56.100 -0.018 0.000 0.988 57 R CB -0.773 29.491 30.300 -0.060 0.000 0.871 57 R HN 0.418 nan 8.270 nan 0.000 0.458 58 Y N 0.994 121.339 120.300 0.075 0.000 2.632 58 Y HA 0.205 4.754 4.550 -0.000 0.000 0.301 58 Y C 2.407 178.376 175.900 0.114 0.000 1.172 58 Y CA -0.355 57.791 58.100 0.077 0.000 1.328 58 Y CB -0.466 38.048 38.460 0.090 0.000 1.016 58 Y HN 0.257 nan 8.280 nan 0.000 0.529 59 A N 0.182 123.162 122.820 0.267 0.000 2.015 59 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 59 A C 1.533 179.291 177.584 0.291 0.000 1.163 59 A CA 0.411 52.594 52.037 0.245 0.000 0.646 59 A CB -0.413 18.683 19.000 0.159 0.000 0.806 59 A HN 0.206 nan 8.150 nan 0.000 0.448 60 R N -0.309 120.340 120.500 0.249 0.000 2.298 60 R HA 0.236 4.576 4.340 -0.000 0.000 0.310 60 R C -1.567 174.941 176.300 0.347 0.000 1.068 60 R CA -0.644 55.602 56.100 0.243 0.000 0.957 60 R CB -0.055 30.334 30.300 0.148 0.000 1.003 60 R HN 0.347 nan 8.270 nan 0.000 0.454 61 W N 5.399 126.703 121.300 0.006 0.000 2.437 61 W HA 0.230 4.890 4.660 -0.000 0.000 0.312 61 W C -0.224 176.282 176.519 -0.023 0.000 1.242 61 W CA -0.404 56.930 57.345 -0.020 0.000 1.340 61 W CB -0.190 29.248 29.460 -0.037 0.000 1.327 61 W HN 0.716 nan 8.180 nan 0.000 0.476 62 N N 0.749 119.529 118.700 0.134 0.000 2.329 62 N HA 0.396 5.136 4.740 -0.000 0.000 0.282 62 N C -0.154 175.350 175.510 -0.011 0.000 1.198 62 N CA -0.856 52.234 53.050 0.066 0.000 0.790 62 N CB 1.236 39.763 38.487 0.067 0.000 1.579 62 N HN 0.191 nan 8.380 nan 0.000 0.475 63 L N 0.032 121.240 121.223 -0.026 0.000 2.141 63 L HA 0.004 4.344 4.340 -0.000 0.000 0.209 63 L C 2.340 179.176 176.870 -0.057 0.000 1.094 63 L CA 1.529 56.328 54.840 -0.067 0.000 0.763 63 L CB -0.511 41.509 42.059 -0.065 0.000 0.908 63 L HN 0.885 nan 8.230 nan 0.000 0.437 64 A N -0.383 122.425 122.820 -0.020 0.000 1.972 64 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 64 A C 1.757 179.341 177.584 0.001 0.000 1.169 64 A CA 1.766 53.801 52.037 -0.002 0.000 0.635 64 A CB -0.373 18.639 19.000 0.019 0.000 0.810 64 A HN 0.324 nan 8.150 nan 0.000 0.446 65 D N -0.382 120.015 120.400 -0.004 0.000 2.363 65 D HA 0.115 4.755 4.640 -0.000 0.000 0.220 65 D C 0.393 176.612 176.300 -0.135 0.000 0.994 65 D CA 0.310 54.309 54.000 -0.002 0.000 0.890 65 D CB -0.076 40.756 40.800 0.054 0.000 0.906 65 D HN 0.406 nan 8.370 nan 0.000 0.530 66 L N 1.826 122.955 121.223 -0.157 0.000 2.375 66 L HA 0.323 4.663 4.340 -0.000 0.000 0.271 66 L C -2.059 174.684 176.870 -0.212 0.000 1.107 66 L CA -1.884 52.813 54.840 -0.238 0.000 0.806 66 L CB 0.743 42.653 42.059 -0.249 0.000 1.146 66 L HN -0.226 nan 8.230 nan 0.000 0.447 67 P HA 0.244 nan 4.420 nan 0.000 0.278 67 P C -0.630 176.435 177.300 -0.391 0.000 1.238 67 P CA -0.271 62.565 63.100 -0.440 0.000 0.794 67 P CB 0.880 32.211 31.700 -0.615 0.000 0.955 68 I N 2.256 122.563 120.570 -0.438 0.000 2.363 68 I HA 0.133 4.303 4.170 -0.000 0.000 0.292 68 I C -0.179 175.762 176.117 -0.293 0.000 1.075 68 I CA -0.211 60.802 61.300 -0.478 0.000 1.333 68 I CB 0.554 38.140 38.000 -0.690 0.000 1.415 68 I HN -0.017 nan 8.210 nan 0.000 0.502 69 V N 8.303 128.071 119.914 -0.243 0.000 2.419 69 V HA 0.298 4.418 4.120 -0.000 0.000 0.287 69 V C -2.203 173.676 176.094 -0.358 0.000 1.017 69 V CA -1.621 60.545 62.300 -0.222 0.000 0.844 69 V CB 1.234 33.008 31.823 -0.081 0.000 1.011 69 V HN 0.579 nan 8.190 nan 0.000 0.429 70 P HA 0.217 nan 4.420 nan 0.000 0.267 70 P C 0.684 177.649 177.300 -0.558 0.000 1.205 70 P CA -0.031 62.497 63.100 -0.954 0.000 0.765 70 P CB 1.051 31.578 31.700 -1.955 0.000 0.828 71 E N 1.779 121.829 120.200 -0.250 0.000 2.086 71 E HA -0.044 4.306 4.350 -0.000 0.000 0.190 71 E C 0.416 176.996 176.600 -0.033 0.000 0.975 71 E CA 1.028 57.378 56.400 -0.083 0.000 0.813 71 E CB 0.225 29.922 29.700 -0.006 0.000 0.768 71 E HN 0.397 nan 8.360 nan 0.000 0.457 72 K N 0.490 120.871 120.400 -0.031 0.000 2.367 72 K HA 0.128 4.448 4.320 -0.000 0.000 0.263 72 K C -1.160 175.512 176.600 0.120 0.000 1.000 72 K CA -0.413 55.919 56.287 0.074 0.000 0.891 72 K CB 0.585 33.136 32.500 0.086 0.000 1.117 72 K HN -0.186 nan 8.250 nan 0.000 0.443 73 W N 2.723 124.091 121.300 0.114 0.000 2.190 73 W HA 0.114 4.774 4.660 -0.000 0.000 0.330 73 W C 0.477 177.081 176.519 0.141 0.000 1.299 73 W CA 0.031 57.462 57.345 0.143 0.000 1.215 73 W CB 0.658 30.128 29.460 0.017 0.000 1.147 73 W HN 0.384 nan 8.180 nan 0.000 0.563 74 Q N 2.146 122.193 119.800 0.411 0.000 2.387 74 Q HA 0.683 5.023 4.340 -0.000 0.000 0.273 74 Q C -0.831 175.259 176.000 0.150 0.000 1.089 74 Q CA -1.051 54.839 55.803 0.145 0.000 0.824 74 Q CB 2.305 30.940 28.738 -0.172 0.000 1.367 74 Q HN 0.351 nan 8.270 nan 0.000 0.443 75 L N 0.762 122.069 121.223 0.140 0.000 2.301 75 L HA 0.570 4.910 4.340 -0.000 0.000 0.264 75 L C -0.618 176.284 176.870 0.054 0.000 1.016 75 L CA -0.914 53.977 54.840 0.086 0.000 0.821 75 L CB 1.987 44.088 42.059 0.071 0.000 1.346 75 L HN 0.493 nan 8.230 nan 0.000 0.429 76 Q N 0.752 120.531 119.800 -0.035 0.000 2.394 76 Q HA 0.430 4.770 4.340 -0.000 0.000 0.273 76 Q C -2.572 173.320 176.000 -0.180 0.000 1.089 76 Q CA -1.959 53.806 55.803 -0.064 0.000 0.812 76 Q CB 2.706 31.443 28.738 -0.002 0.000 1.353 76 Q HN 0.268 nan 8.270 nan 0.000 0.438 77 P HA -0.013 nan 4.420 nan 0.000 0.267 77 P C -0.975 176.279 177.300 -0.077 0.000 1.205 77 P CA -0.067 62.912 63.100 -0.201 0.000 0.765 77 P CB 0.469 32.085 31.700 -0.140 0.000 0.828 78 R N 6.020 126.491 120.500 -0.049 0.000 2.421 78 R HA 0.066 4.406 4.340 -0.000 0.000 0.305 78 R C -1.501 174.801 176.300 0.003 0.000 1.039 78 R CA -1.078 55.020 56.100 -0.002 0.000 1.003 78 R CB -0.021 30.292 30.300 0.023 0.000 0.959 78 R HN 0.364 nan 8.270 nan 0.000 0.427 79 P HA -0.164 nan 4.420 nan 0.000 0.216 79 P C 0.761 178.072 177.300 0.019 0.000 1.150 79 P CA 1.365 64.474 63.100 0.015 0.000 0.837 79 P CB 0.175 31.887 31.700 0.021 0.000 0.786 80 S N -1.281 114.433 115.700 0.023 0.000 2.603 80 S HA -0.012 4.458 4.470 -0.000 0.000 0.229 80 S C 1.203 175.822 174.600 0.032 0.000 0.972 80 S CA 0.886 59.103 58.200 0.028 0.000 0.935 80 S CB -1.153 62.065 63.200 0.030 0.000 0.769 80 S HN 0.149 nan 8.310 nan 0.000 0.536 81 V N -1.661 118.270 119.914 0.028 0.000 3.172 81 V HA 0.314 4.434 4.120 -0.000 0.000 0.343 81 V C 1.453 177.557 176.094 0.016 0.000 1.429 81 V CA 0.078 62.397 62.300 0.032 0.000 1.149 81 V CB -0.928 30.922 31.823 0.045 0.000 1.106 81 V HN 0.430 nan 8.190 nan 0.000 0.526 82 T N -0.195 114.366 114.554 0.011 0.000 2.833 82 T HA -0.229 4.121 4.350 -0.000 0.000 0.269 82 T C 1.681 176.385 174.700 0.007 0.000 1.054 82 T CA 1.944 64.047 62.100 0.004 0.000 1.135 82 T CB -0.365 68.508 68.868 0.009 0.000 0.869 82 T HN 0.785 nan 8.240 nan 0.000 0.466 83 K N 1.029 121.437 120.400 0.013 0.000 2.097 83 K HA -0.110 4.210 4.320 -0.000 0.000 0.205 83 K C 2.483 179.084 176.600 0.002 0.000 1.050 83 K CA 1.222 57.516 56.287 0.011 0.000 0.938 83 K CB -0.286 32.227 32.500 0.020 0.000 0.718 83 K HN 0.238 nan 8.250 nan 0.000 0.442 84 Q N 1.108 120.908 119.800 -0.000 0.000 2.084 84 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 84 Q C 2.018 177.991 176.000 -0.045 0.000 0.978 84 Q CA 1.339 57.121 55.803 -0.033 0.000 0.844 84 Q CB -0.388 28.336 28.738 -0.023 0.000 0.898 84 Q HN 0.412 nan 8.270 nan 0.000 0.426 85 L N 0.655 121.861 121.223 -0.028 0.000 2.043 85 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 85 L C 1.586 178.443 176.870 -0.022 0.000 1.075 85 L CA 1.948 56.771 54.840 -0.027 0.000 0.752 85 L CB -0.820 41.224 42.059 -0.027 0.000 0.891 85 L HN 0.265 nan 8.230 nan 0.000 0.432 86 N N -0.887 117.803 118.700 -0.016 0.000 2.188 86 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 86 N C 1.896 177.370 175.510 -0.060 0.000 1.018 86 N CA 1.491 54.525 53.050 -0.027 0.000 0.858 86 N CB -0.356 38.123 38.487 -0.014 0.000 0.989 86 N HN 0.260 nan 8.380 nan 0.000 0.426 87 V N 1.693 121.583 119.914 -0.040 0.000 2.287 87 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 87 V C 2.238 178.346 176.094 0.022 0.000 1.053 87 V CA 1.319 63.609 62.300 -0.015 0.000 1.027 87 V CB -0.403 31.442 31.823 0.037 0.000 0.646 87 V HN 0.238 nan 8.190 nan 0.000 0.447 88 I N -0.285 120.279 120.570 -0.010 0.000 2.252 88 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 88 I C 2.577 178.648 176.117 -0.078 0.000 1.102 88 I CA 1.788 63.083 61.300 -0.010 0.000 1.385 88 I CB -0.452 37.515 38.000 -0.054 0.000 1.064 88 I HN 0.288 nan 8.210 nan 0.000 0.414 89 K N 1.357 121.682 120.400 -0.124 0.000 2.044 89 K HA -0.226 4.094 4.320 -0.000 0.000 0.210 89 K C 2.320 178.655 176.600 -0.441 0.000 1.049 89 K CA 1.656 57.793 56.287 -0.250 0.000 0.927 89 K CB -0.062 32.369 32.500 -0.115 0.000 0.713 89 K HN 0.192 nan 8.250 nan 0.000 0.443 90 R N -0.783 119.534 120.500 -0.304 0.000 2.096 90 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 90 R C 2.251 178.295 176.300 -0.428 0.000 1.127 90 R CA 1.677 57.558 56.100 -0.366 0.000 0.968 90 R CB -0.291 29.743 30.300 -0.444 0.000 0.861 90 R HN 0.213 nan 8.270 nan 0.000 0.440 91 F N 0.551 120.357 119.950 -0.240 0.000 2.367 91 F HA -0.009 4.518 4.527 -0.000 0.000 0.298 91 F C 2.124 177.812 175.800 -0.187 0.000 1.094 91 F CA 0.665 58.539 58.000 -0.210 0.000 1.409 91 F CB -0.273 38.594 39.000 -0.221 0.000 1.064 91 F HN -0.066 nan 8.300 nan 0.000 0.528 92 L N -0.651 120.512 121.223 -0.100 0.000 2.079 92 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 92 L C 2.548 179.376 176.870 -0.071 0.000 1.081 92 L CA 1.254 56.014 54.840 -0.132 0.000 0.752 92 L CB -0.702 41.224 42.059 -0.222 0.000 0.896 92 L HN 0.245 nan 8.230 nan 0.000 0.433 93 H N -0.383 118.674 119.070 -0.021 0.000 2.462 93 H HA -0.071 4.485 4.556 -0.000 0.000 0.292 93 H C 2.009 177.321 175.328 -0.028 0.000 1.049 93 H CA 0.913 56.941 56.048 -0.033 0.000 1.334 93 H CB -0.026 29.703 29.762 -0.054 0.000 1.404 93 H HN 0.473 nan 8.280 nan 0.000 0.544 94 E N 0.639 120.879 120.200 0.067 0.000 2.170 94 E HA 0.151 4.501 4.350 -0.000 0.000 0.191 94 E C 0.945 177.576 176.600 0.052 0.000 0.981 94 E CA 0.246 56.673 56.400 0.046 0.000 0.830 94 E CB 0.315 30.035 29.700 0.032 0.000 0.775 94 E HN 0.249 nan 8.360 nan 0.000 0.470 95 A N 1.259 124.111 122.820 0.054 0.000 2.388 95 A HA 0.165 4.485 4.320 -0.000 0.000 0.257 95 A C 1.063 178.657 177.584 0.016 0.000 1.095 95 A CA 0.001 52.057 52.037 0.032 0.000 0.791 95 A CB 0.546 19.554 19.000 0.013 0.000 1.029 95 A HN 0.176 nan 8.150 nan 0.000 0.489 96 S N 0.700 116.403 115.700 0.005 0.000 2.511 96 S HA 0.209 4.679 4.470 -0.000 0.000 0.214 96 S C 0.143 174.733 174.600 -0.017 0.000 0.997 96 S CA 0.128 58.327 58.200 -0.000 0.000 0.908 96 S CB -0.043 63.159 63.200 0.004 0.000 0.803 96 S HN 0.728 nan 8.310 nan 0.000 0.504 97 E N 1.161 121.339 120.200 -0.037 0.000 2.275 97 E HA 0.535 4.885 4.350 -0.000 0.000 0.270 97 E C -1.406 175.125 176.600 -0.116 0.000 0.882 97 E CA -0.703 55.654 56.400 -0.071 0.000 0.758 97 E CB 1.824 31.476 29.700 -0.081 0.000 1.195 97 E HN 0.159 nan 8.360 nan 0.000 0.419 98 I N 2.501 122.995 120.570 -0.126 0.000 2.433 98 I HA 0.361 4.531 4.170 -0.000 0.000 0.292 98 I C -0.432 175.554 176.117 -0.219 0.000 1.001 98 I CA -1.028 60.178 61.300 -0.156 0.000 1.119 98 I CB 1.486 39.433 38.000 -0.088 0.000 1.289 98 I HN 0.306 nan 8.210 nan 0.000 0.438 99 V N 5.293 124.998 119.914 -0.349 0.000 2.357 99 V HA 0.210 4.330 4.120 -0.000 0.000 0.284 99 V C 0.128 176.151 176.094 -0.119 0.000 1.018 99 V CA -0.703 61.390 62.300 -0.345 0.000 0.841 99 V CB 1.325 32.662 31.823 -0.809 0.000 0.991 99 V HN 0.625 nan 8.190 nan 0.000 0.437 100 H N 5.069 124.046 119.070 -0.155 0.000 3.015 100 H HA 0.439 4.995 4.556 -0.000 0.000 0.268 100 H C 0.323 175.594 175.328 -0.094 0.000 1.113 100 H CA -0.154 55.825 56.048 -0.115 0.000 1.479 100 H CB 1.259 30.936 29.762 -0.140 0.000 1.493 100 H HN 0.701 nan 8.280 nan 0.000 0.486 101 A N 4.878 127.839 122.820 0.236 0.000 2.793 101 A HA 0.371 4.691 4.320 -0.000 0.000 0.301 101 A C 1.215 178.889 177.584 0.150 0.000 1.172 101 A CA -0.038 52.110 52.037 0.184 0.000 0.973 101 A CB -0.298 18.827 19.000 0.208 0.000 1.164 101 A HN 0.768 nan 8.150 nan 0.000 0.542 102 G N -0.346 108.605 108.800 0.252 0.000 2.636 102 G HA2 0.352 4.312 3.960 -0.000 0.000 0.246 102 G HA3 0.352 4.312 3.960 -0.000 0.000 0.246 102 G C -0.473 174.447 174.900 0.034 0.000 1.216 102 G CA -0.314 44.869 45.100 0.138 0.000 0.854 102 G HN 0.338 nan 8.290 nan 0.000 0.572 103 D N 0.468 120.856 120.400 -0.019 0.000 2.515 103 D HA 0.058 4.698 4.640 -0.000 0.000 0.232 103 D C -1.523 174.656 176.300 -0.201 0.000 1.157 103 D CA -0.329 53.573 54.000 -0.164 0.000 0.871 103 D CB 0.966 41.716 40.800 -0.084 0.000 1.200 103 D HN 0.112 nan 8.370 nan 0.000 0.466 104 P HA 0.090 nan 4.420 nan 0.000 0.220 104 P C -1.004 176.303 177.300 0.012 0.000 1.778 104 P CA -0.148 62.850 63.100 -0.170 0.000 0.912 104 P CB -0.001 31.588 31.700 -0.185 0.000 1.861 105 D N -1.997 118.397 120.400 -0.010 0.000 2.752 105 D HA 0.221 4.861 4.640 -0.000 0.000 0.313 105 D C 1.197 177.532 176.300 0.058 0.000 1.225 105 D CA -1.011 53.026 54.000 0.061 0.000 0.976 105 D CB 0.716 41.437 40.800 -0.132 0.000 1.443 105 D HN -0.283 nan 8.370 nan 0.000 0.515 106 R N -0.542 119.999 120.500 0.069 0.000 2.091 106 R HA -0.084 4.256 4.340 -0.000 0.000 0.238 106 R C 1.507 177.827 176.300 0.034 0.000 1.136 106 R CA 1.321 57.450 56.100 0.048 0.000 0.959 106 R CB -0.139 30.183 30.300 0.037 0.000 0.856 106 R HN 0.501 nan 8.270 nan 0.000 0.437 107 E N -0.373 119.847 120.200 0.033 0.000 2.150 107 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 107 E C 2.045 178.650 176.600 0.009 0.000 0.985 107 E CA 1.337 57.756 56.400 0.032 0.000 0.814 107 E CB -0.194 29.540 29.700 0.057 0.000 0.752 107 E HN 0.504 nan 8.360 nan 0.000 0.466 108 G N 0.858 109.671 108.800 0.022 0.000 2.421 108 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.217 108 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.217 108 G C 1.612 176.578 174.900 0.110 0.000 1.143 108 G CA 0.547 45.667 45.100 0.033 0.000 0.784 108 G HN 0.171 nan 8.290 nan 0.000 0.541 109 Q N -0.010 119.834 119.800 0.075 0.000 2.030 109 Q HA -0.064 4.276 4.340 -0.000 0.000 0.204 109 Q C 2.358 178.474 176.000 0.192 0.000 0.986 109 Q CA 1.282 57.153 55.803 0.114 0.000 0.843 109 Q CB -0.581 28.180 28.738 0.039 0.000 0.904 109 Q HN 0.377 nan 8.270 nan 0.000 0.420 110 L N -0.383 120.880 121.223 0.067 0.000 2.093 110 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 110 L C 2.080 178.926 176.870 -0.039 0.000 1.085 110 L CA 1.262 56.113 54.840 0.018 0.000 0.755 110 L CB -0.691 41.368 42.059 -0.001 0.000 0.904 110 L HN 0.419 nan 8.230 nan 0.000 0.435 111 L N -1.422 119.746 121.223 -0.091 0.000 2.013 111 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 111 L C 2.200 178.963 176.870 -0.178 0.000 1.073 111 L CA 2.103 56.829 54.840 -0.190 0.000 0.753 111 L CB -0.412 41.525 42.059 -0.203 0.000 0.890 111 L HN 0.122 nan 8.230 nan 0.000 0.432 112 V N -1.366 118.394 119.914 -0.256 0.000 2.685 112 V HA -0.103 4.017 4.120 -0.000 0.000 0.244 112 V C 2.099 178.019 176.094 -0.289 0.000 1.054 112 V CA 1.138 63.185 62.300 -0.421 0.000 1.076 112 V CB -0.549 30.712 31.823 -0.935 0.000 0.725 112 V HN 0.350 nan 8.190 nan 0.000 0.467 113 D N 0.655 120.969 120.400 -0.143 0.000 2.133 113 D HA -0.193 4.447 4.640 -0.000 0.000 0.195 113 D C 2.208 178.505 176.300 -0.004 0.000 0.997 113 D CA 1.456 55.461 54.000 0.008 0.000 0.840 113 D CB -0.053 40.806 40.800 0.098 0.000 0.947 113 D HN 0.526 nan 8.370 nan 0.000 0.452 114 E N -0.100 120.089 120.200 -0.019 0.000 2.110 114 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 114 E C 2.267 178.884 176.600 0.029 0.000 0.988 114 E CA 0.464 56.867 56.400 0.005 0.000 0.804 114 E CB 0.188 29.880 29.700 -0.014 0.000 0.745 114 E HN 0.115 nan 8.360 nan 0.000 0.458 115 V N 1.540 121.441 119.914 -0.022 0.000 2.307 115 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 115 V C 2.344 178.457 176.094 0.032 0.000 1.045 115 V CA 1.431 63.729 62.300 -0.003 0.000 1.024 115 V CB -0.426 31.359 31.823 -0.064 0.000 0.651 115 V HN 0.272 nan 8.190 nan 0.000 0.449 116 L N -0.215 121.001 121.223 -0.011 0.000 2.042 116 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 116 L C 2.465 179.357 176.870 0.038 0.000 1.076 116 L CA 1.897 56.738 54.840 0.003 0.000 0.749 116 L CB -0.663 41.388 42.059 -0.013 0.000 0.893 116 L HN 0.420 nan 8.230 nan 0.000 0.432 117 D N -0.705 119.727 120.400 0.052 0.000 2.091 117 D HA -0.233 4.407 4.640 -0.000 0.000 0.199 117 D C 2.052 178.397 176.300 0.075 0.000 0.980 117 D CA 1.144 55.179 54.000 0.058 0.000 0.831 117 D CB 0.034 40.867 40.800 0.055 0.000 0.987 117 D HN 0.273 nan 8.370 nan 0.000 0.460 118 Y N 1.295 121.591 120.300 -0.006 0.000 2.165 118 Y HA -0.133 4.416 4.550 -0.000 0.000 0.286 118 Y C 2.163 178.066 175.900 0.005 0.000 1.155 118 Y CA 1.452 59.552 58.100 -0.001 0.000 1.164 118 Y CB -0.257 38.201 38.460 -0.003 0.000 0.978 118 Y HN -0.055 nan 8.280 nan 0.000 0.513 119 L N 1.421 122.726 121.223 0.137 0.000 2.552 119 L HA -0.103 4.237 4.340 -0.000 0.000 0.227 119 L C 0.493 177.377 176.870 0.024 0.000 1.146 119 L CA 0.670 55.549 54.840 0.064 0.000 0.858 119 L CB -0.744 41.367 42.059 0.085 0.000 0.969 119 L HN 0.361 nan 8.230 nan 0.000 0.451 120 Q N 1.423 121.225 119.800 0.004 0.000 2.383 120 Q HA -0.208 4.132 4.340 -0.000 0.000 0.359 120 Q C -0.378 175.648 176.000 0.042 0.000 1.291 120 Q CA 0.278 56.086 55.803 0.008 0.000 1.076 120 Q CB -1.948 26.773 28.738 -0.029 0.000 1.193 120 Q HN 0.614 nan 8.270 nan 0.000 0.302 121 L N -1.259 119.992 121.223 0.047 0.000 2.467 121 L HA 0.671 5.011 4.340 -0.000 0.000 0.270 121 L C 0.653 177.548 176.870 0.042 0.000 1.205 121 L CA -0.135 54.742 54.840 0.060 0.000 0.828 121 L CB 0.452 42.534 42.059 0.038 0.000 1.101 121 L HN 0.515 nan 8.230 nan 0.000 0.479 122 A N 3.106 125.951 122.820 0.042 0.000 2.587 122 A HA 0.194 4.514 4.320 -0.000 0.000 0.233 122 A C -1.254 176.343 177.584 0.022 0.000 1.049 122 A CA -0.613 51.437 52.037 0.022 0.000 0.754 122 A CB -0.505 18.504 19.000 0.016 0.000 0.977 122 A HN 0.835 nan 8.150 nan 0.000 0.509 123 P HA -0.186 nan 4.420 nan 0.000 0.217 123 P C 1.211 178.525 177.300 0.023 0.000 1.148 123 P CA 1.463 64.579 63.100 0.026 0.000 0.828 123 P CB 0.116 31.829 31.700 0.022 0.000 0.783 124 E N 0.392 120.601 120.200 0.015 0.000 2.065 124 E HA -0.239 4.111 4.350 -0.000 0.000 0.201 124 E C 1.788 178.395 176.600 0.011 0.000 1.016 124 E CA 1.541 57.948 56.400 0.012 0.000 0.818 124 E CB -0.520 29.185 29.700 0.008 0.000 0.749 124 E HN 0.438 nan 8.360 nan 0.000 0.453 125 K N 0.260 120.668 120.400 0.013 0.000 2.103 125 K HA -0.078 4.242 4.320 -0.000 0.000 0.204 125 K C 2.257 178.862 176.600 0.009 0.000 1.052 125 K CA 0.679 56.971 56.287 0.008 0.000 0.945 125 K CB -0.116 32.391 32.500 0.012 0.000 0.722 125 K HN -0.134 nan 8.250 nan 0.000 0.443 126 R N 2.087 122.599 120.500 0.019 0.000 2.152 126 R HA -0.106 4.234 4.340 -0.000 0.000 0.232 126 R C 1.728 178.043 176.300 0.024 0.000 1.117 126 R CA 1.571 57.688 56.100 0.027 0.000 0.981 126 R CB -0.236 30.090 30.300 0.043 0.000 0.870 126 R HN 0.274 nan 8.270 nan 0.000 0.451 127 Q N -0.740 119.072 119.800 0.020 0.000 2.311 127 Q HA -0.023 4.317 4.340 -0.000 0.000 0.203 127 Q C 1.167 177.167 176.000 0.000 0.000 0.954 127 Q CA 0.815 56.623 55.803 0.009 0.000 0.885 127 Q CB 0.286 29.033 28.738 0.014 0.000 0.963 127 Q HN 0.341 nan 8.270 nan 0.000 0.471 128 Q N -0.038 119.761 119.800 -0.001 0.000 2.319 128 Q HA 0.102 4.442 4.340 -0.000 0.000 0.202 128 Q C 0.048 176.038 176.000 -0.018 0.000 0.896 128 Q CA 0.095 55.892 55.803 -0.009 0.000 0.942 128 Q CB 0.628 29.359 28.738 -0.011 0.000 1.083 128 Q HN 0.149 nan 8.270 nan 0.000 0.510 129 V N 2.978 122.884 119.914 -0.013 0.000 2.599 129 V HA -0.061 4.059 4.120 -0.000 0.000 0.300 129 V C 0.626 176.705 176.094 -0.024 0.000 1.034 129 V CA 0.474 62.761 62.300 -0.021 0.000 1.115 129 V CB 0.509 32.334 31.823 0.004 0.000 0.934 129 V HN 0.170 nan 8.190 nan 0.000 0.485 130 Q N 3.191 122.957 119.800 -0.057 0.000 2.248 130 Q HA 0.606 4.946 4.340 -0.000 0.000 0.263 130 Q C -0.405 175.538 176.000 -0.094 0.000 1.007 130 Q CA -1.010 54.755 55.803 -0.062 0.000 0.877 130 Q CB 2.215 30.907 28.738 -0.076 0.000 1.315 130 Q HN 0.629 nan 8.270 nan 0.000 0.454 131 R N 0.095 120.513 120.500 -0.137 0.000 2.437 131 R HA 0.434 4.774 4.340 -0.000 0.000 0.310 131 R C -1.583 174.599 176.300 -0.196 0.000 0.955 131 R CA -0.301 55.616 56.100 -0.305 0.000 0.851 131 R CB 0.985 30.837 30.300 -0.747 0.000 1.161 131 R HN 0.711 nan 8.270 nan 0.000 0.446 132 C N 6.861 126.080 119.300 -0.134 0.000 2.298 132 C HA 0.588 5.048 4.460 -0.000 0.000 0.323 132 C C -0.968 173.979 174.990 -0.071 0.000 1.284 132 C CA -0.807 58.196 59.018 -0.025 0.000 1.577 132 C CB -0.398 27.414 27.740 0.119 0.000 2.249 132 C HN 0.815 nan 8.230 nan 0.000 0.497 133 L N 7.699 128.891 121.223 -0.052 0.000 2.276 133 L HA 0.560 4.900 4.340 -0.000 0.000 0.286 133 L C -0.309 176.559 176.870 -0.003 0.000 1.024 133 L CA -0.133 54.673 54.840 -0.056 0.000 0.826 133 L CB 0.888 42.934 42.059 -0.021 0.000 1.211 133 L HN 0.568 nan 8.230 nan 0.000 0.422 134 I N 3.581 124.133 120.570 -0.029 0.000 2.362 134 I HA 0.304 4.474 4.170 -0.000 0.000 0.289 134 I C 0.409 176.535 176.117 0.015 0.000 0.994 134 I CA -0.181 61.131 61.300 0.019 0.000 1.158 134 I CB 1.573 39.589 38.000 0.026 0.000 1.315 134 I HN 0.612 nan 8.210 nan 0.000 0.451 135 N N 3.316 122.086 118.700 0.117 0.000 2.166 135 N HA 0.099 4.839 4.740 -0.000 0.000 0.213 135 N C -0.731 175.000 175.510 0.367 0.000 1.222 135 N CA 0.248 53.394 53.050 0.160 0.000 0.900 135 N CB 1.029 39.581 38.487 0.108 0.000 1.055 135 N HN 0.576 nan 8.380 nan 0.000 0.515 136 D N 0.376 120.975 120.400 0.333 0.000 2.966 136 D HA 0.171 4.811 4.640 -0.000 0.000 0.222 136 D C 0.308 176.673 176.300 0.109 0.000 1.292 136 D CA -0.383 53.792 54.000 0.292 0.000 0.907 136 D CB 1.365 42.310 40.800 0.243 0.000 1.621 136 D HN -0.173 nan 8.370 nan 0.000 0.557 137 L N 2.026 123.226 121.223 -0.038 0.000 2.591 137 L HA 0.153 4.493 4.340 -0.000 0.000 0.228 137 L C 0.776 177.601 176.870 -0.075 0.000 1.133 137 L CA -0.008 54.753 54.840 -0.132 0.000 0.880 137 L CB -0.344 41.529 42.059 -0.310 0.000 1.033 137 L HN 0.208 nan 8.230 nan 0.000 0.450 138 N N 1.559 120.246 118.700 -0.022 0.000 2.492 138 N HA 0.053 4.793 4.740 -0.000 0.000 0.262 138 N C -1.567 173.938 175.510 -0.008 0.000 1.202 138 N CA -0.958 52.086 53.050 -0.010 0.000 0.926 138 N CB 1.251 39.748 38.487 0.017 0.000 1.078 138 N HN -0.155 nan 8.380 nan 0.000 0.454 139 P HA -0.217 nan 4.420 nan 0.000 0.217 139 P C 1.158 178.456 177.300 -0.003 0.000 1.158 139 P CA 1.687 64.777 63.100 -0.016 0.000 0.887 139 P CB 0.289 31.983 31.700 -0.011 0.000 0.792 140 Q N -1.214 118.589 119.800 0.006 0.000 2.124 140 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 140 Q C 2.224 178.236 176.000 0.021 0.000 0.977 140 Q CA 1.661 57.472 55.803 0.012 0.000 0.850 140 Q CB -0.641 28.104 28.738 0.011 0.000 0.901 140 Q HN 0.217 nan 8.270 nan 0.000 0.429 141 A N 0.464 123.301 122.820 0.028 0.000 1.873 141 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 141 A C 2.362 179.976 177.584 0.050 0.000 1.186 141 A CA 1.188 53.256 52.037 0.052 0.000 0.616 141 A CB -0.630 18.416 19.000 0.077 0.000 0.823 141 A HN 0.188 nan 8.150 nan 0.000 0.442 142 V N 0.126 120.055 119.914 0.025 0.000 2.295 142 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 142 V C 2.401 178.500 176.094 0.008 0.000 1.049 142 V CA 2.322 64.626 62.300 0.006 0.000 1.024 142 V CB -0.945 30.857 31.823 -0.034 0.000 0.648 142 V HN 0.632 nan 8.190 nan 0.000 0.447 143 E N -0.250 119.953 120.200 0.005 0.000 2.097 143 E HA -0.275 4.075 4.350 -0.000 0.000 0.196 143 E C 2.502 179.123 176.600 0.035 0.000 1.000 143 E CA 1.433 57.841 56.400 0.014 0.000 0.804 143 E CB -0.230 29.478 29.700 0.013 0.000 0.740 143 E HN 0.378 nan 8.360 nan 0.000 0.454 144 R N 0.396 120.921 120.500 0.041 0.000 2.081 144 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 144 R C 2.242 178.582 176.300 0.067 0.000 1.131 144 R CA 1.287 57.419 56.100 0.054 0.000 0.960 144 R CB -0.226 30.110 30.300 0.059 0.000 0.856 144 R HN 0.157 nan 8.270 nan 0.000 0.436 145 A N 1.139 124.000 122.820 0.069 0.000 1.902 145 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 145 A C 2.170 179.803 177.584 0.082 0.000 1.181 145 A CA 1.380 53.462 52.037 0.076 0.000 0.623 145 A CB -0.473 18.568 19.000 0.069 0.000 0.818 145 A HN 0.348 nan 8.150 nan 0.000 0.443 146 I N -0.616 120.004 120.570 0.085 0.000 2.546 146 I HA -0.172 3.998 4.170 -0.000 0.000 0.255 146 I C 1.947 178.126 176.117 0.104 0.000 1.163 146 I CA 1.617 62.992 61.300 0.125 0.000 1.457 146 I CB -0.311 37.756 38.000 0.111 0.000 1.092 146 I HN 0.295 nan 8.210 nan 0.000 0.434 147 D N 0.912 121.358 120.400 0.077 0.000 2.317 147 D HA -0.068 4.572 4.640 -0.000 0.000 0.211 147 D C 1.790 178.128 176.300 0.063 0.000 0.966 147 D CA 0.794 54.833 54.000 0.065 0.000 0.876 147 D CB 0.217 41.049 40.800 0.054 0.000 0.927 147 D HN 0.136 nan 8.370 nan 0.000 0.519 148 R N -0.220 120.322 120.500 0.069 0.000 2.507 148 R HA 0.242 4.582 4.340 -0.000 0.000 0.298 148 R C 0.033 176.374 176.300 0.069 0.000 0.999 148 R CA -0.366 55.776 56.100 0.068 0.000 1.082 148 R CB 0.385 30.731 30.300 0.077 0.000 1.246 148 R HN 0.168 nan 8.270 nan 0.000 0.553 149 L N 2.170 123.430 121.223 0.062 0.000 2.653 149 L HA -0.096 4.244 4.340 -0.000 0.000 0.288 149 L C 0.666 177.569 176.870 0.056 0.000 1.243 149 L CA 1.009 55.877 54.840 0.047 0.000 0.906 149 L CB -0.070 42.006 42.059 0.029 0.000 1.154 149 L HN 0.044 nan 8.230 nan 0.000 0.498 150 R N 1.658 122.202 120.500 0.074 0.000 2.832 150 R HA 0.335 4.675 4.340 -0.000 0.000 0.271 150 R C -0.393 175.976 176.300 0.115 0.000 0.996 150 R CA -0.864 55.312 56.100 0.126 0.000 0.977 150 R CB 1.986 32.438 30.300 0.252 0.000 1.168 150 R HN 0.589 nan 8.270 nan 0.000 0.482 151 S N 0.884 116.646 115.700 0.104 0.000 2.544 151 S HA -0.070 4.400 4.470 -0.000 0.000 0.290 151 S C 1.129 175.826 174.600 0.161 0.000 1.276 151 S CA -0.144 58.104 58.200 0.080 0.000 1.075 151 S CB 0.214 63.439 63.200 0.041 0.000 0.849 151 S HN 0.583 nan 8.310 nan 0.000 0.494 152 N N 3.429 122.186 118.700 0.096 0.000 2.364 152 N HA -0.125 4.615 4.740 -0.000 0.000 0.183 152 N C 1.896 177.508 175.510 0.170 0.000 1.022 152 N CA 1.565 54.685 53.050 0.118 0.000 0.883 152 N CB -0.256 38.239 38.487 0.014 0.000 0.965 152 N HN 0.675 nan 8.380 nan 0.000 0.438 153 S N -0.313 115.430 115.700 0.071 0.000 2.442 153 S HA -0.114 4.356 4.470 -0.000 0.000 0.236 153 S C 1.425 176.021 174.600 -0.007 0.000 1.007 153 S CA 0.852 59.048 58.200 -0.006 0.000 0.965 153 S CB -0.427 62.732 63.200 -0.068 0.000 0.773 153 S HN 0.426 nan 8.310 nan 0.000 0.504 154 E N -0.058 120.146 120.200 0.006 0.000 2.418 154 E HA 0.011 4.361 4.350 -0.000 0.000 0.197 154 E C 0.334 176.707 176.600 -0.379 0.000 1.026 154 E CA 0.716 56.996 56.400 -0.199 0.000 0.862 154 E CB -0.205 29.323 29.700 -0.287 0.000 0.799 154 E HN 0.713 nan 8.360 nan 0.000 0.518 155 F N -0.744 119.153 119.950 -0.088 0.000 2.653 155 F HA 0.089 4.616 4.527 -0.000 0.000 0.304 155 F C 1.671 177.418 175.800 -0.089 0.000 1.092 155 F CA -0.224 57.718 58.000 -0.097 0.000 1.279 155 F CB 0.328 39.248 39.000 -0.133 0.000 1.044 155 F HN -0.168 nan 8.300 nan 0.000 0.564 156 V N 1.776 121.713 119.914 0.039 0.000 2.282 156 V HA -0.252 3.868 4.120 -0.000 0.000 0.249 156 V C -0.243 175.783 176.094 -0.113 0.000 1.057 156 V CA 2.237 64.539 62.300 0.004 0.000 1.032 156 V CB -1.338 30.517 31.823 0.054 0.000 0.645 156 V HN 0.179 nan 8.190 nan 0.000 0.447 157 P HA -0.140 nan 4.420 nan 0.000 0.216 157 P C 1.861 179.034 177.300 -0.211 0.000 1.150 157 P CA 1.188 64.056 63.100 -0.386 0.000 0.837 157 P CB -0.024 31.526 31.700 -0.250 0.000 0.786 158 L N -0.896 120.271 121.223 -0.093 0.000 2.017 158 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 158 L C 2.634 179.491 176.870 -0.021 0.000 1.073 158 L CA 1.752 56.578 54.840 -0.022 0.000 0.745 158 L CB -1.328 40.776 42.059 0.075 0.000 0.894 158 L HN 0.076 nan 8.230 nan 0.000 0.432 159 C N -1.619 117.675 119.300 -0.011 0.000 2.432 159 C HA -0.141 4.318 4.460 -0.000 0.000 0.277 159 C C 2.728 177.689 174.990 -0.050 0.000 1.249 159 C CA 1.130 60.143 59.018 -0.009 0.000 1.725 159 C CB -0.692 27.058 27.740 0.017 0.000 2.028 159 C HN 0.425 nan 8.230 nan 0.000 0.477 160 V N 0.441 120.300 119.914 -0.092 0.000 2.343 160 V HA -0.163 3.957 4.120 -0.000 0.000 0.247 160 V C 2.781 178.843 176.094 -0.053 0.000 1.051 160 V CA 2.363 64.610 62.300 -0.088 0.000 1.036 160 V CB -1.064 30.682 31.823 -0.128 0.000 0.654 160 V HN 0.719 nan 8.190 nan 0.000 0.451 161 S N -0.079 115.564 115.700 -0.095 0.000 2.370 161 S HA -0.221 4.249 4.470 -0.000 0.000 0.226 161 S C 2.107 176.650 174.600 -0.095 0.000 1.033 161 S CA 1.793 59.925 58.200 -0.114 0.000 1.011 161 S CB -0.303 62.834 63.200 -0.105 0.000 0.852 161 S HN 0.627 nan 8.310 nan 0.000 0.457 162 A N 0.939 123.726 122.820 -0.054 0.000 1.897 162 A HA 0.085 4.405 4.320 -0.000 0.000 0.215 162 A C 2.135 179.698 177.584 -0.035 0.000 1.181 162 A CA 1.450 53.469 52.037 -0.030 0.000 0.620 162 A CB -0.839 18.157 19.000 -0.006 0.000 0.821 162 A HN 0.542 nan 8.150 nan 0.000 0.443 163 L N -0.159 121.035 121.223 -0.047 0.000 2.046 163 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 163 L C 2.720 179.560 176.870 -0.050 0.000 1.077 163 L CA 2.076 56.870 54.840 -0.077 0.000 0.747 163 L CB -0.717 41.271 42.059 -0.118 0.000 0.896 163 L HN 0.350 nan 8.230 nan 0.000 0.432 164 A N -0.446 122.396 122.820 0.037 0.000 1.908 164 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 164 A C 2.535 180.154 177.584 0.059 0.000 1.181 164 A CA 1.917 54.031 52.037 0.129 0.000 0.627 164 A CB -0.691 18.319 19.000 0.017 0.000 0.818 164 A HN 0.517 nan 8.150 nan 0.000 0.445 165 R N -0.381 120.092 120.500 -0.046 0.000 2.073 165 R HA -0.107 4.233 4.340 -0.000 0.000 0.234 165 R C 2.294 178.611 176.300 0.029 0.000 1.134 165 R CA 1.546 57.638 56.100 -0.014 0.000 0.952 165 R CB -0.432 29.850 30.300 -0.030 0.000 0.850 165 R HN 0.427 nan 8.270 nan 0.000 0.433 166 A N 1.068 123.891 122.820 0.005 0.000 1.873 166 A HA -0.136 4.183 4.320 -0.000 0.000 0.215 166 A C 2.214 179.805 177.584 0.011 0.000 1.186 166 A CA 1.364 53.414 52.037 0.021 0.000 0.616 166 A CB -0.415 18.583 19.000 -0.005 0.000 0.823 166 A HN 0.365 nan 8.150 nan 0.000 0.442 167 R N -0.558 119.853 120.500 -0.148 0.000 2.081 167 R HA -0.053 4.287 4.340 -0.000 0.000 0.235 167 R C 2.468 178.817 176.300 0.083 0.000 1.131 167 R CA 1.222 57.126 56.100 -0.327 0.000 0.960 167 R CB -0.436 29.389 30.300 -0.793 0.000 0.856 167 R HN 0.508 nan 8.270 nan 0.000 0.436 168 A N 1.210 124.075 122.820 0.075 0.000 1.930 168 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 168 A C 1.523 179.163 177.584 0.092 0.000 1.175 168 A CA 1.623 53.684 52.037 0.039 0.000 0.627 168 A CB -0.282 18.712 19.000 -0.009 0.000 0.815 168 A HN 0.146 nan 8.150 nan 0.000 0.443 169 D N -1.602 118.875 120.400 0.128 0.000 2.117 169 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 169 D C 1.587 178.027 176.300 0.234 0.000 0.982 169 D CA 1.009 55.099 54.000 0.150 0.000 0.828 169 D CB -0.357 40.518 40.800 0.126 0.000 0.967 169 D HN 0.729 nan 8.370 nan 0.000 0.464 170 W N 1.408 122.766 121.300 0.096 0.000 2.378 170 W HA -0.105 4.555 4.660 -0.000 0.000 0.313 170 W C 2.167 178.759 176.519 0.121 0.000 1.197 170 W CA 1.062 58.484 57.345 0.130 0.000 1.304 170 W CB -0.432 29.146 29.460 0.198 0.000 1.148 170 W HN -0.115 nan 8.180 nan 0.000 0.494 171 L N -0.581 121.017 121.223 0.625 0.000 1.971 171 L HA -0.317 4.023 4.340 -0.000 0.000 0.215 171 L C 2.464 179.354 176.870 0.034 0.000 1.072 171 L CA 2.066 57.105 54.840 0.331 0.000 0.758 171 L CB -1.424 40.831 42.059 0.327 0.000 0.889 171 L HN 0.116 nan 8.230 nan 0.000 0.433 172 Y N 0.436 120.718 120.300 -0.030 0.000 2.097 172 Y HA -0.229 4.321 4.550 -0.000 0.000 0.282 172 Y C 2.333 178.182 175.900 -0.085 0.000 1.152 172 Y CA 1.949 60.013 58.100 -0.061 0.000 1.136 172 Y CB -0.579 37.855 38.460 -0.043 0.000 0.975 172 Y HN 0.100 nan 8.280 nan 0.000 0.498 173 G N -0.115 108.754 108.800 0.114 0.000 2.408 173 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.215 173 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.215 173 G C 1.573 176.356 174.900 -0.195 0.000 1.156 173 G CA 0.844 45.954 45.100 0.016 0.000 0.793 173 G HN 0.371 nan 8.290 nan 0.000 0.535 174 I N 1.583 121.922 120.570 -0.385 0.000 2.179 174 I HA -0.126 4.044 4.170 -0.000 0.000 0.242 174 I C 2.288 178.075 176.117 -0.550 0.000 1.088 174 I CA 1.041 61.984 61.300 -0.594 0.000 1.357 174 I CB -0.772 36.558 38.000 -1.116 0.000 1.051 174 I HN 0.157 nan 8.210 nan 0.000 0.409 175 N N 0.377 118.784 118.700 -0.488 0.000 2.171 175 N HA -0.086 4.654 4.740 -0.000 0.000 0.184 175 N C 1.848 177.151 175.510 -0.344 0.000 1.021 175 N CA 1.125 53.912 53.050 -0.438 0.000 0.854 175 N CB -0.058 38.188 38.487 -0.401 0.000 0.994 175 N HN 0.259 nan 8.380 nan 0.000 0.426 176 M N 0.617 120.032 119.600 -0.310 0.000 2.175 176 M HA -0.035 4.445 4.480 -0.000 0.000 0.264 176 M C 1.824 178.113 176.300 -0.019 0.000 1.063 176 M CA 1.080 56.284 55.300 -0.160 0.000 1.119 176 M CB -1.165 31.251 32.600 -0.306 0.000 1.377 176 M HN 0.045 nan 8.290 nan 0.000 0.415 177 T N 0.205 114.692 114.554 -0.111 0.000 2.777 177 T HA -0.075 4.275 4.350 -0.000 0.000 0.266 177 T C 2.001 176.624 174.700 -0.128 0.000 1.040 177 T CA 1.036 63.108 62.100 -0.047 0.000 1.141 177 T CB -0.131 68.708 68.868 -0.048 0.000 0.868 177 T HN 0.360 nan 8.240 nan 0.000 0.444 178 R N 0.871 121.111 120.500 -0.434 0.000 2.081 178 R HA -0.002 4.338 4.340 -0.000 0.000 0.235 178 R C 2.821 178.982 176.300 -0.232 0.000 1.131 178 R CA 1.334 57.065 56.100 -0.616 0.000 0.960 178 R CB -0.495 29.256 30.300 -0.915 0.000 0.856 178 R HN 0.359 nan 8.270 nan 0.000 0.436 179 A N 0.358 123.049 122.820 -0.216 0.000 1.858 179 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 179 A C 1.864 179.278 177.584 -0.283 0.000 1.190 179 A CA 1.303 53.199 52.037 -0.236 0.000 0.617 179 A CB -0.752 18.086 19.000 -0.270 0.000 0.827 179 A HN 0.333 nan 8.150 nan 0.000 0.443 180 Y N 0.441 120.674 120.300 -0.111 0.000 2.395 180 Y HA -0.084 4.466 4.550 -0.000 0.000 0.293 180 Y C 2.889 178.695 175.900 -0.156 0.000 1.123 180 Y CA 1.581 59.600 58.100 -0.137 0.000 1.227 180 Y CB -0.584 37.834 38.460 -0.070 0.000 1.012 180 Y HN 0.280 nan 8.280 nan 0.000 0.552 181 T N 0.341 114.954 114.554 0.098 0.000 2.777 181 T HA -0.154 4.196 4.350 -0.000 0.000 0.266 181 T C 1.978 176.710 174.700 0.055 0.000 1.040 181 T CA 1.512 63.694 62.100 0.137 0.000 1.141 181 T CB -0.422 68.654 68.868 0.348 0.000 0.868 181 T HN 0.221 nan 8.240 nan 0.000 0.444 182 I N 0.909 121.508 120.570 0.048 0.000 2.163 182 I HA -0.170 4.000 4.170 -0.000 0.000 0.243 182 I C 2.279 178.343 176.117 -0.089 0.000 1.085 182 I CA 1.261 62.565 61.300 0.006 0.000 1.347 182 I CB -0.463 37.542 38.000 0.009 0.000 1.044 182 I HN 0.190 nan 8.210 nan 0.000 0.408 183 L N 0.296 121.395 121.223 -0.206 0.000 2.012 183 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 183 L C 2.678 179.324 176.870 -0.374 0.000 1.073 183 L CA 1.750 56.412 54.840 -0.295 0.000 0.748 183 L CB -1.309 40.468 42.059 -0.472 0.000 0.891 183 L HN 0.363 nan 8.230 nan 0.000 0.431 184 G N -0.542 107.966 108.800 -0.488 0.000 2.422 184 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 184 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 184 G C 1.748 176.659 174.900 0.019 0.000 1.146 184 G CA 0.197 45.140 45.100 -0.262 0.000 0.769 184 G HN 0.187 nan 8.290 nan 0.000 0.547 185 R N 0.491 120.988 120.500 -0.006 0.000 2.092 185 R HA -0.006 4.334 4.340 -0.000 0.000 0.231 185 R C 2.178 178.491 176.300 0.023 0.000 1.119 185 R CA 0.886 56.993 56.100 0.011 0.000 0.970 185 R CB -0.620 29.670 30.300 -0.016 0.000 0.864 185 R HN 0.264 nan 8.270 nan 0.000 0.440 186 N N 1.117 119.824 118.700 0.011 0.000 2.289 186 N HA -0.106 4.634 4.740 -0.000 0.000 0.184 186 N C 1.300 176.848 175.510 0.063 0.000 1.016 186 N CA 1.287 54.354 53.050 0.029 0.000 0.872 186 N CB -0.057 38.442 38.487 0.020 0.000 0.973 186 N HN 0.215 nan 8.380 nan 0.000 0.433 187 A N -0.747 122.131 122.820 0.096 0.000 2.275 187 A HA 0.494 4.814 4.320 -0.000 0.000 0.212 187 A C 1.407 179.075 177.584 0.139 0.000 1.201 187 A CA 0.658 52.781 52.037 0.143 0.000 0.843 187 A CB -0.020 19.126 19.000 0.243 0.000 0.873 187 A HN 0.284 nan 8.150 nan 0.000 0.492 188 G N -2.244 106.628 108.800 0.121 0.000 2.179 188 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 188 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 188 G C -0.078 174.928 174.900 0.178 0.000 0.990 188 G CA 0.113 45.285 45.100 0.119 0.000 0.646 188 G HN 0.621 nan 8.290 nan 0.000 0.517 189 Y N 1.638 121.967 120.300 0.047 0.000 2.336 189 Y HA 0.567 5.116 4.550 -0.000 0.000 0.335 189 Y C 1.325 177.239 175.900 0.022 0.000 1.046 189 Y CA 0.082 58.212 58.100 0.050 0.000 1.198 189 Y CB 1.292 39.799 38.460 0.078 0.000 1.182 189 Y HN 0.210 nan 8.280 nan 0.000 0.502 190 Q N 3.351 122.891 119.800 -0.433 0.000 2.302 190 Q HA 0.163 4.503 4.340 -0.000 0.000 0.202 190 Q C 0.942 176.576 176.000 -0.610 0.000 0.936 190 Q CA 0.459 56.021 55.803 -0.401 0.000 0.886 190 Q CB 0.186 28.788 28.738 -0.227 0.000 0.986 190 Q HN 1.004 nan 8.270 nan 0.000 0.487 191 G N -0.100 107.936 108.800 -1.273 0.000 2.553 191 G HA2 0.314 4.274 3.960 -0.000 0.000 0.278 191 G HA3 0.314 4.274 3.960 -0.000 0.000 0.278 191 G C -0.722 173.934 174.900 -0.407 0.000 1.349 191 G CA -0.514 44.093 45.100 -0.822 0.000 1.037 191 G HN 0.090 nan 8.290 nan 0.000 0.508 192 V N 0.293 120.168 119.914 -0.065 0.000 2.394 192 V HA 0.297 4.417 4.120 -0.000 0.000 0.282 192 V C 0.139 176.436 176.094 0.339 0.000 1.031 192 V CA -0.408 61.961 62.300 0.115 0.000 0.881 192 V CB 1.370 33.248 31.823 0.092 0.000 0.982 192 V HN 0.453 nan 8.190 nan 0.000 0.451 193 L N 5.310 126.765 121.223 0.386 0.000 2.353 193 L HA 0.334 4.674 4.340 -0.000 0.000 0.269 193 L C 0.695 177.781 176.870 0.360 0.000 1.085 193 L CA -0.066 55.064 54.840 0.483 0.000 0.938 193 L CB 0.713 42.964 42.059 0.320 0.000 1.312 193 L HN 0.816 nan 8.230 nan 0.000 0.429 194 S N 1.741 117.680 115.700 0.399 0.000 2.584 194 S HA 0.673 5.143 4.470 -0.000 0.000 0.273 194 S C -0.189 174.542 174.600 0.219 0.000 1.311 194 S CA -0.699 57.657 58.200 0.260 0.000 1.034 194 S CB 2.117 65.441 63.200 0.206 0.000 0.939 194 S HN 0.177 nan 8.310 nan 0.000 0.513 195 V N 1.575 121.558 119.914 0.116 0.000 2.709 195 V HA 0.891 5.011 4.120 -0.000 0.000 0.308 195 V C 0.480 176.663 176.094 0.148 0.000 1.062 195 V CA -0.204 62.141 62.300 0.075 0.000 0.901 195 V CB 1.809 33.591 31.823 -0.070 0.000 1.003 195 V HN 1.290 nan 8.190 nan 0.000 0.425 196 G N 2.648 111.585 108.800 0.229 0.000 2.704 196 G HA2 0.520 4.480 3.960 -0.000 0.000 0.293 196 G HA3 0.520 4.480 3.960 -0.000 0.000 0.293 196 G C 0.043 175.077 174.900 0.224 0.000 1.421 196 G CA -0.532 44.744 45.100 0.293 0.000 0.870 196 G HN 0.792 nan 8.290 nan 0.000 0.492 197 R N -0.409 120.107 120.500 0.026 0.000 2.280 197 R HA 0.124 4.464 4.340 -0.000 0.000 0.207 197 R C 0.937 177.225 176.300 -0.021 0.000 1.043 197 R CA 1.096 57.074 56.100 -0.204 0.000 1.006 197 R CB -0.129 29.941 30.300 -0.383 0.000 0.885 197 R HN 0.260 nan 8.270 nan 0.000 0.467 198 V N 1.220 121.150 119.914 0.026 0.000 2.690 198 V HA -0.108 4.012 4.120 -0.000 0.000 0.240 198 V C 2.457 178.567 176.094 0.026 0.000 1.078 198 V CA 1.204 63.520 62.300 0.026 0.000 1.102 198 V CB 0.037 31.879 31.823 0.032 0.000 0.800 198 V HN 0.422 nan 8.190 nan 0.000 0.479 199 Q N 0.284 120.116 119.800 0.055 0.000 2.123 199 Q HA -0.135 4.205 4.340 -0.000 0.000 0.199 199 Q C 1.928 177.964 176.000 0.060 0.000 0.966 199 Q CA 2.141 57.983 55.803 0.064 0.000 0.845 199 Q CB -0.758 28.041 28.738 0.102 0.000 0.907 199 Q HN 0.509 nan 8.270 nan 0.000 0.439 200 T N 1.893 116.487 114.554 0.067 0.000 2.770 200 T HA -0.012 4.338 4.350 -0.000 0.000 0.263 200 T C -0.883 173.832 174.700 0.026 0.000 1.039 200 T CA 1.131 63.261 62.100 0.049 0.000 1.142 200 T CB -1.002 67.900 68.868 0.056 0.000 0.868 200 T HN 0.259 nan 8.240 nan 0.000 0.435 201 P HA -0.029 nan 4.420 nan 0.000 0.218 201 P C 1.568 178.832 177.300 -0.061 0.000 1.148 201 P CA 0.571 63.661 63.100 -0.017 0.000 0.822 201 P CB -0.192 31.489 31.700 -0.032 0.000 0.784 202 V N -0.533 119.338 119.914 -0.072 0.000 2.307 202 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 202 V C 2.371 178.386 176.094 -0.131 0.000 1.045 202 V CA 1.528 63.746 62.300 -0.136 0.000 1.024 202 V CB -1.257 30.505 31.823 -0.102 0.000 0.651 202 V HN 0.057 nan 8.190 nan 0.000 0.449 203 L N 1.504 122.697 121.223 -0.051 0.000 2.013 203 L HA -0.114 4.226 4.340 -0.000 0.000 0.212 203 L C 2.372 179.208 176.870 -0.056 0.000 1.073 203 L CA 2.575 57.390 54.840 -0.042 0.000 0.753 203 L CB -1.348 40.713 42.059 0.003 0.000 0.890 203 L HN 0.293 nan 8.230 nan 0.000 0.432 204 G N -0.486 108.339 108.800 0.043 0.000 2.469 204 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.220 204 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.220 204 G C 1.597 176.484 174.900 -0.021 0.000 1.136 204 G CA 1.265 46.454 45.100 0.149 0.000 0.759 204 G HN 0.475 nan 8.290 nan 0.000 0.562 205 L N 0.086 121.252 121.223 -0.096 0.000 2.012 205 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 205 L C 3.011 179.894 176.870 0.021 0.000 1.073 205 L CA 0.691 55.454 54.840 -0.129 0.000 0.748 205 L CB -0.617 41.167 42.059 -0.458 0.000 0.891 205 L HN 0.115 nan 8.230 nan 0.000 0.431 206 V N -0.917 118.948 119.914 -0.081 0.000 2.270 206 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 206 V C 2.423 178.480 176.094 -0.061 0.000 1.043 206 V CA 1.566 63.899 62.300 0.054 0.000 1.014 206 V CB -0.391 31.418 31.823 -0.024 0.000 0.645 206 V HN 0.176 nan 8.190 nan 0.000 0.447 207 V N 0.043 119.794 119.914 -0.272 0.000 2.287 207 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 207 V C 2.625 178.442 176.094 -0.462 0.000 1.053 207 V CA 2.263 64.255 62.300 -0.514 0.000 1.027 207 V CB -0.848 30.302 31.823 -1.122 0.000 0.646 207 V HN 0.461 nan 8.190 nan 0.000 0.447 208 R N -0.756 119.505 120.500 -0.399 0.000 2.096 208 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 208 R C 2.596 178.855 176.300 -0.069 0.000 1.127 208 R CA 1.012 57.010 56.100 -0.170 0.000 0.968 208 R CB -0.288 30.005 30.300 -0.011 0.000 0.861 208 R HN 0.380 nan 8.270 nan 0.000 0.440 209 R N 0.822 121.307 120.500 -0.025 0.000 2.066 209 R HA -0.093 4.247 4.340 -0.000 0.000 0.232 209 R C 1.598 177.800 176.300 -0.163 0.000 1.131 209 R CA 1.410 57.464 56.100 -0.077 0.000 0.955 209 R CB -0.515 29.743 30.300 -0.069 0.000 0.851 209 R HN 0.235 nan 8.270 nan 0.000 0.432 210 D N 0.652 120.976 120.400 -0.126 0.000 2.149 210 D HA -0.150 4.490 4.640 -0.000 0.000 0.198 210 D C 1.704 177.950 176.300 -0.090 0.000 0.990 210 D CA 1.180 55.110 54.000 -0.116 0.000 0.839 210 D CB -0.065 40.715 40.800 -0.034 0.000 0.948 210 D HN 0.425 nan 8.370 nan 0.000 0.460 211 E N 0.329 120.480 120.200 -0.082 0.000 2.158 211 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 211 E C 1.907 178.495 176.600 -0.019 0.000 0.982 211 E CA 0.291 56.671 56.400 -0.033 0.000 0.823 211 E CB 0.036 29.727 29.700 -0.015 0.000 0.766 211 E HN 0.370 nan 8.360 nan 0.000 0.468 212 E N 0.779 120.954 120.200 -0.041 0.000 2.118 212 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 212 E C 2.019 178.605 176.600 -0.024 0.000 0.992 212 E CA 0.876 57.262 56.400 -0.023 0.000 0.804 212 E CB -0.023 29.645 29.700 -0.054 0.000 0.741 212 E HN 0.262 nan 8.360 nan 0.000 0.458 213 I N 0.797 121.296 120.570 -0.118 0.000 2.233 213 I HA -0.232 3.938 4.170 -0.000 0.000 0.243 213 I C 2.279 178.391 176.117 -0.007 0.000 1.093 213 I CA 1.079 62.291 61.300 -0.146 0.000 1.380 213 I CB -0.156 37.618 38.000 -0.377 0.000 1.067 213 I HN 0.070 nan 8.210 nan 0.000 0.413 214 E N 0.865 121.065 120.200 0.000 0.000 2.058 214 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 214 E C 1.577 178.209 176.600 0.052 0.000 0.997 214 E CA 1.234 57.656 56.400 0.037 0.000 0.801 214 E CB -0.043 29.676 29.700 0.032 0.000 0.746 214 E HN 0.426 nan 8.360 nan 0.000 0.450 215 N N -0.062 118.669 118.700 0.053 0.000 2.461 215 N HA -0.048 4.692 4.740 -0.000 0.000 0.188 215 N C -0.181 175.364 175.510 0.059 0.000 1.134 215 N CA 0.141 53.217 53.050 0.043 0.000 0.878 215 N CB 0.023 38.528 38.487 0.031 0.000 0.972 215 N HN 0.034 nan 8.380 nan 0.000 0.456 216 F N 2.508 122.431 119.950 -0.044 0.000 2.504 216 F HA 0.112 4.639 4.527 -0.000 0.000 0.369 216 F C 0.367 176.147 175.800 -0.034 0.000 1.082 216 F CA -0.845 57.127 58.000 -0.046 0.000 1.216 216 F CB 0.636 39.597 39.000 -0.064 0.000 1.108 216 F HN -0.241 nan 8.300 nan 0.000 0.554 217 V N 4.518 123.973 119.914 -0.766 0.000 2.347 217 V HA 0.782 4.902 4.120 -0.000 0.000 0.280 217 V C 0.111 175.695 176.094 -0.850 0.000 1.021 217 V CA -0.921 61.037 62.300 -0.569 0.000 0.847 217 V CB 0.386 32.020 31.823 -0.314 0.000 0.990 217 V HN 1.061 nan 8.190 nan 0.000 0.444 218 A N 5.587 128.184 122.820 -0.372 0.000 2.492 218 A HA 0.560 4.880 4.320 -0.000 0.000 0.254 218 A C 0.383 177.898 177.584 -0.116 0.000 1.091 218 A CA -0.119 51.857 52.037 -0.103 0.000 0.768 218 A CB 0.046 19.114 19.000 0.113 0.000 1.028 218 A HN 1.155 nan 8.150 nan 0.000 0.498 219 K N 2.027 122.383 120.400 -0.074 0.000 2.385 219 K HA 0.584 4.904 4.320 -0.000 0.000 0.248 219 K C -1.661 174.932 176.600 -0.011 0.000 0.955 219 K CA -0.955 55.299 56.287 -0.054 0.000 0.816 219 K CB 1.719 34.170 32.500 -0.081 0.000 1.250 219 K HN 0.386 nan 8.250 nan 0.000 0.434 220 D N 2.347 122.696 120.400 -0.086 0.000 2.264 220 D HA 0.307 4.947 4.640 -0.000 0.000 0.250 220 D C -0.618 175.456 176.300 -0.376 0.000 1.113 220 D CA 0.028 53.866 54.000 -0.269 0.000 0.871 220 D CB 0.638 41.273 40.800 -0.274 0.000 1.167 220 D HN 0.479 nan 8.370 nan 0.000 0.447 221 F N 0.179 119.725 119.950 -0.675 0.000 2.611 221 F HA 0.790 5.317 4.527 -0.000 0.000 0.324 221 F C -1.498 173.791 175.800 -0.851 0.000 1.061 221 F CA -1.357 56.269 58.000 -0.624 0.000 0.954 221 F CB 1.082 39.942 39.000 -0.234 0.000 1.301 221 F HN 0.003 nan 8.300 nan 0.000 0.482 222 F N 0.374 120.417 119.950 0.154 0.000 2.556 222 F HA 0.567 5.094 4.527 -0.000 0.000 0.314 222 F C -0.471 175.431 175.800 0.170 0.000 1.106 222 F CA -0.739 57.299 58.000 0.063 0.000 0.911 222 F CB 2.229 41.275 39.000 0.075 0.000 1.190 222 F HN 0.542 nan 8.300 nan 0.000 0.448 223 E N 1.097 121.474 120.200 0.294 0.000 2.263 223 E HA 0.720 5.069 4.350 -0.000 0.000 0.264 223 E C -1.456 175.319 176.600 0.291 0.000 0.923 223 E CA -1.130 55.440 56.400 0.284 0.000 0.802 223 E CB 3.054 32.876 29.700 0.203 0.000 1.228 223 E HN 0.285 nan 8.360 nan 0.000 0.417 224 V N 2.280 122.405 119.914 0.352 0.000 2.384 224 V HA 0.273 4.393 4.120 -0.000 0.000 0.287 224 V C -0.380 175.898 176.094 0.307 0.000 1.020 224 V CA -0.626 61.858 62.300 0.306 0.000 0.850 224 V CB 1.329 33.328 31.823 0.293 0.000 0.987 224 V HN 0.497 nan 8.190 nan 0.000 0.436 225 K N 3.694 124.224 120.400 0.217 0.000 2.293 225 K HA 0.721 5.041 4.320 -0.000 0.000 0.267 225 K C -0.132 176.525 176.600 0.095 0.000 1.010 225 K CA -0.371 56.005 56.287 0.147 0.000 0.875 225 K CB 1.273 33.802 32.500 0.048 0.000 1.106 225 K HN 0.829 nan 8.250 nan 0.000 0.450 226 A N 3.980 126.856 122.820 0.094 0.000 2.320 226 A HA 0.260 4.580 4.320 -0.000 0.000 0.287 226 A C -1.086 176.377 177.584 -0.202 0.000 1.181 226 A CA -0.410 51.585 52.037 -0.070 0.000 0.831 226 A CB 0.039 18.854 19.000 -0.308 0.000 1.102 226 A HN 0.815 nan 8.150 nan 0.000 0.513 227 H N 1.383 120.377 119.070 -0.125 0.000 2.652 227 H HA 0.542 5.098 4.556 -0.000 0.000 0.298 227 H C -0.506 174.672 175.328 -0.250 0.000 1.076 227 H CA 0.294 56.250 56.048 -0.154 0.000 1.360 227 H CB 0.719 30.424 29.762 -0.094 0.000 1.421 227 H HN 0.564 nan 8.280 nan 0.000 0.464 228 I N 2.977 123.345 120.570 -0.337 0.000 2.569 228 I HA 0.364 4.534 4.170 -0.000 0.000 0.296 228 I C -0.783 175.081 176.117 -0.421 0.000 1.028 228 I CA -0.982 60.026 61.300 -0.486 0.000 1.082 228 I CB 2.210 39.714 38.000 -0.827 0.000 1.264 228 I HN 0.305 nan 8.210 nan 0.000 0.429 229 V N 4.561 124.341 119.914 -0.224 0.000 2.709 229 V HA 0.611 4.731 4.120 -0.000 0.000 0.308 229 V C -0.123 175.965 176.094 -0.010 0.000 1.062 229 V CA -0.227 62.024 62.300 -0.080 0.000 0.901 229 V CB 2.374 34.172 31.823 -0.041 0.000 1.003 229 V HN 0.889 nan 8.190 nan 0.000 0.425 230 T N 4.244 118.842 114.554 0.073 0.000 2.918 230 T HA 0.503 4.853 4.350 -0.000 0.000 0.283 230 T C -1.551 173.175 174.700 0.043 0.000 1.001 230 T CA -1.493 60.658 62.100 0.086 0.000 1.041 230 T CB 1.480 70.428 68.868 0.133 0.000 1.028 230 T HN 0.606 nan 8.240 nan 0.000 0.511 231 P HA -0.002 nan 4.420 nan 0.000 0.226 231 P C 0.760 178.070 177.300 0.017 0.000 1.146 231 P CA 0.719 63.829 63.100 0.017 0.000 0.773 231 P CB -0.268 31.439 31.700 0.013 0.000 0.772 232 A N -0.397 122.438 122.820 0.026 0.000 2.462 232 A HA 0.149 4.469 4.320 -0.000 0.000 0.261 232 A C 0.530 178.131 177.584 0.028 0.000 1.323 232 A CA -0.049 52.001 52.037 0.022 0.000 0.913 232 A CB -0.604 18.407 19.000 0.019 0.000 1.028 232 A HN 0.028 nan 8.150 nan 0.000 0.511 233 D N -0.495 119.923 120.400 0.030 0.000 3.046 233 D HA -0.153 4.487 4.640 -0.000 0.000 0.210 233 D C -0.137 176.192 176.300 0.048 0.000 1.124 233 D CA 1.392 55.410 54.000 0.030 0.000 0.986 233 D CB -1.215 39.597 40.800 0.019 0.000 1.118 233 D HN 0.784 nan 8.370 nan 0.000 0.416 234 E N 0.432 120.676 120.200 0.072 0.000 2.373 234 E HA 0.405 4.755 4.350 -0.000 0.000 0.267 234 E C 0.431 177.124 176.600 0.156 0.000 1.032 234 E CA 0.065 56.533 56.400 0.113 0.000 0.889 234 E CB 1.195 30.974 29.700 0.131 0.000 0.984 234 E HN 0.081 nan 8.360 nan 0.000 0.425 235 R N 2.377 122.984 120.500 0.179 0.000 2.621 235 R HA 0.537 4.877 4.340 -0.000 0.000 0.292 235 R C -1.405 175.067 176.300 0.287 0.000 0.969 235 R CA -0.446 55.748 56.100 0.156 0.000 0.887 235 R CB 0.701 31.056 30.300 0.092 0.000 1.180 235 R HN 0.533 nan 8.270 nan 0.000 0.450 236 F N -1.496 118.489 119.950 0.059 0.000 2.985 236 F HA 0.605 5.132 4.527 -0.000 0.000 0.322 236 F C -1.494 174.316 175.800 0.016 0.000 1.187 236 F CA -0.874 57.158 58.000 0.053 0.000 0.910 236 F CB 1.730 40.769 39.000 0.065 0.000 1.411 236 F HN 0.239 nan 8.300 nan 0.000 0.492 237 T N 1.063 115.737 114.554 0.200 0.000 2.861 237 T HA 0.814 5.164 4.350 -0.000 0.000 0.287 237 T C -1.302 173.502 174.700 0.174 0.000 1.003 237 T CA -0.310 61.788 62.100 -0.005 0.000 0.977 237 T CB 1.377 70.210 68.868 -0.058 0.000 0.996 237 T HN 1.035 nan 8.240 nan 0.000 0.448 238 A N 3.818 126.699 122.820 0.100 0.000 2.393 238 A HA 0.850 5.170 4.320 -0.000 0.000 0.306 238 A C -0.870 176.914 177.584 0.333 0.000 1.050 238 A CA -0.654 51.536 52.037 0.256 0.000 0.724 238 A CB 0.845 20.032 19.000 0.311 0.000 1.248 238 A HN 0.817 nan 8.150 nan 0.000 0.424 239 I N 1.288 122.040 120.570 0.303 0.000 2.428 239 I HA 0.254 4.424 4.170 -0.000 0.000 0.296 239 I C -0.309 175.916 176.117 0.179 0.000 0.985 239 I CA -0.463 60.992 61.300 0.258 0.000 1.260 239 I CB 1.354 39.439 38.000 0.142 0.000 1.389 239 I HN 0.831 nan 8.210 nan 0.000 0.484 240 W N 6.301 127.477 121.300 -0.207 0.000 2.266 240 W HA 0.175 4.835 4.660 -0.000 0.000 0.317 240 W C -0.476 175.819 176.519 -0.373 0.000 1.310 240 W CA -0.461 56.426 57.345 -0.763 0.000 1.207 240 W CB 0.605 29.682 29.460 -0.638 0.000 1.199 240 W HN 0.365 nan 8.180 nan 0.000 0.544 241 Q N 7.760 127.149 119.800 -0.685 0.000 2.509 241 Q HA 0.267 4.607 4.340 -0.000 0.000 0.236 241 Q C -2.157 173.272 176.000 -0.952 0.000 1.073 241 Q CA -2.119 53.300 55.803 -0.638 0.000 0.867 241 Q CB 0.591 29.151 28.738 -0.295 0.000 1.181 241 Q HN 0.289 nan 8.270 nan 0.000 0.526 242 P HA -0.056 nan 4.420 nan 0.000 0.264 242 P C 0.173 177.220 177.300 -0.422 0.000 1.193 242 P CA 0.349 62.728 63.100 -1.203 0.000 0.763 242 P CB 0.642 31.666 31.700 -1.128 0.000 0.810 243 S N 2.439 118.053 115.700 -0.144 0.000 2.617 243 S HA 0.075 4.545 4.470 -0.000 0.000 0.259 243 S C 1.309 175.895 174.600 -0.023 0.000 1.301 243 S CA -0.430 57.747 58.200 -0.037 0.000 0.984 243 S CB 0.384 63.619 63.200 0.059 0.000 0.954 243 S HN 0.401 nan 8.310 nan 0.000 0.572 244 E N 1.194 121.389 120.200 -0.007 0.000 2.114 244 E HA -0.217 4.133 4.350 -0.000 0.000 0.199 244 E C 2.170 178.782 176.600 0.020 0.000 1.008 244 E CA 1.737 58.135 56.400 -0.003 0.000 0.810 244 E CB -1.288 28.412 29.700 0.000 0.000 0.739 244 E HN 0.847 nan 8.360 nan 0.000 0.456 245 A N 0.700 123.550 122.820 0.050 0.000 2.225 245 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 245 A C 2.057 179.726 177.584 0.142 0.000 1.164 245 A CA 0.868 52.953 52.037 0.081 0.000 0.710 245 A CB -0.687 18.369 19.000 0.094 0.000 0.780 245 A HN 0.339 nan 8.150 nan 0.000 0.473 246 C N -0.699 118.683 119.300 0.135 0.000 2.625 246 C HA 0.202 4.662 4.460 -0.000 0.000 0.285 246 C C 2.084 177.161 174.990 0.144 0.000 1.279 246 C CA 0.117 59.273 59.018 0.229 0.000 1.698 246 C CB -1.254 26.563 27.740 0.129 0.000 1.821 246 C HN 0.806 nan 8.230 nan 0.000 0.600 247 E N 3.456 123.681 120.200 0.042 0.000 2.068 247 E HA -0.224 4.126 4.350 -0.000 0.000 0.207 247 E C -0.461 176.100 176.600 -0.065 0.000 1.032 247 E CA 2.426 58.814 56.400 -0.020 0.000 0.839 247 E CB -0.769 28.909 29.700 -0.037 0.000 0.758 247 E HN 0.451 nan 8.360 nan 0.000 0.457 248 P HA -0.054 nan 4.420 nan 0.000 0.241 248 P C 0.308 177.421 177.300 -0.311 0.000 1.191 248 P CA 0.919 63.840 63.100 -0.297 0.000 0.771 248 P CB -0.030 31.400 31.700 -0.450 0.000 0.929 249 Y N 0.447 120.777 120.300 0.050 0.000 2.509 249 Y HA 0.116 4.666 4.550 -0.000 0.000 0.270 249 Y C 1.766 177.735 175.900 0.114 0.000 1.103 249 Y CA -0.154 58.007 58.100 0.102 0.000 1.278 249 Y CB -0.231 38.302 38.460 0.123 0.000 1.087 249 Y HN 0.084 nan 8.280 nan 0.000 0.542 250 Q N 1.182 121.089 119.800 0.178 0.000 2.195 250 Q HA 0.384 4.724 4.340 -0.000 0.000 0.250 250 Q C -1.021 174.998 176.000 0.031 0.000 0.988 250 Q CA -0.967 54.893 55.803 0.095 0.000 0.911 250 Q CB 1.718 30.480 28.738 0.041 0.000 1.258 250 Q HN 0.172 nan 8.270 nan 0.000 0.475 251 D N -0.083 120.314 120.400 -0.006 0.000 2.539 251 D HA 0.066 4.705 4.640 -0.000 0.000 0.276 251 D C 0.555 176.824 176.300 -0.052 0.000 1.206 251 D CA -0.517 53.465 54.000 -0.031 0.000 1.081 251 D CB 0.427 41.200 40.800 -0.045 0.000 1.142 251 D HN 0.523 nan 8.370 nan 0.000 0.595 252 E N -0.321 119.846 120.200 -0.055 0.000 2.204 252 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 252 E C 1.427 177.984 176.600 -0.071 0.000 0.989 252 E CA 0.854 57.220 56.400 -0.057 0.000 0.824 252 E CB -0.150 29.520 29.700 -0.049 0.000 0.756 252 E HN 0.548 nan 8.360 nan 0.000 0.477 253 E N -0.065 120.080 120.200 -0.091 0.000 2.230 253 E HA 0.028 4.378 4.350 -0.000 0.000 0.192 253 E C 0.975 177.500 176.600 -0.125 0.000 0.987 253 E CA 0.816 57.148 56.400 -0.113 0.000 0.841 253 E CB 0.269 29.881 29.700 -0.146 0.000 0.783 253 E HN 0.332 nan 8.360 nan 0.000 0.481 254 G N 1.954 110.683 108.800 -0.118 0.000 2.215 254 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.198 254 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.198 254 G C -0.249 174.571 174.900 -0.134 0.000 1.047 254 G CA -0.306 44.725 45.100 -0.114 0.000 0.747 254 G HN 0.086 nan 8.290 nan 0.000 0.495 255 R N -0.434 119.978 120.500 -0.147 0.000 2.437 255 R HA 0.572 4.912 4.340 -0.000 0.000 0.310 255 R C 0.036 176.338 176.300 0.004 0.000 0.955 255 R CA -1.077 54.930 56.100 -0.154 0.000 0.851 255 R CB 1.924 31.939 30.300 -0.474 0.000 1.161 255 R HN 0.232 nan 8.270 nan 0.000 0.446 256 L N 3.963 125.254 121.223 0.112 0.000 2.534 256 L HA 0.023 4.363 4.340 -0.000 0.000 0.271 256 L C 0.190 177.237 176.870 0.295 0.000 1.178 256 L CA 0.587 55.556 54.840 0.214 0.000 0.907 256 L CB 0.370 42.583 42.059 0.257 0.000 1.164 256 L HN 0.722 nan 8.230 nan 0.000 0.482 257 L N 4.750 126.141 121.223 0.280 0.000 2.145 257 L HA 0.153 4.493 4.340 -0.000 0.000 0.201 257 L C 0.854 177.892 176.870 0.280 0.000 1.075 257 L CA 0.641 55.616 54.840 0.225 0.000 0.773 257 L CB -0.389 41.760 42.059 0.150 0.000 0.936 257 L HN 0.589 nan 8.230 nan 0.000 0.451 258 H N -0.750 118.522 119.070 0.336 0.000 2.473 258 H HA 0.218 4.774 4.556 -0.000 0.000 0.327 258 H C 0.499 175.885 175.328 0.097 0.000 1.105 258 H CA -0.207 55.984 56.048 0.238 0.000 1.280 258 H CB 1.758 31.625 29.762 0.175 0.000 1.450 258 H HN 0.022 nan 8.280 nan 0.000 0.492 259 R N 3.184 123.642 120.500 -0.070 0.000 2.090 259 R HA -0.037 4.303 4.340 -0.000 0.000 0.228 259 R C -0.964 175.230 176.300 -0.176 0.000 1.110 259 R CA 0.507 56.353 56.100 -0.423 0.000 0.973 259 R CB -0.723 29.069 30.300 -0.847 0.000 0.869 259 R HN 0.405 nan 8.270 nan 0.000 0.440 260 P HA -0.198 nan 4.420 nan 0.000 0.217 260 P C 1.142 178.402 177.300 -0.067 0.000 1.151 260 P CA 1.095 64.159 63.100 -0.060 0.000 0.849 260 P CB -0.017 31.663 31.700 -0.035 0.000 0.787 261 L N -1.181 119.981 121.223 -0.102 0.000 2.141 261 L HA -0.041 4.299 4.340 -0.000 0.000 0.209 261 L C 2.170 179.023 176.870 -0.028 0.000 1.094 261 L CA 1.657 56.429 54.840 -0.114 0.000 0.763 261 L CB -1.047 40.888 42.059 -0.207 0.000 0.908 261 L HN -0.120 nan 8.230 nan 0.000 0.437 262 A N -1.434 121.391 122.820 0.008 0.000 2.021 262 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 262 A C 2.108 179.645 177.584 -0.077 0.000 1.163 262 A CA 0.815 52.855 52.037 0.005 0.000 0.676 262 A CB -0.308 18.749 19.000 0.095 0.000 0.818 262 A HN 0.394 nan 8.150 nan 0.000 0.453 263 E N -0.343 119.808 120.200 -0.083 0.000 2.072 263 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 263 E C 1.803 178.346 176.600 -0.095 0.000 0.985 263 E CA 1.069 57.414 56.400 -0.092 0.000 0.801 263 E CB -0.523 29.120 29.700 -0.094 0.000 0.750 263 E HN 0.717 nan 8.360 nan 0.000 0.452 264 H N 0.432 119.423 119.070 -0.132 0.000 2.423 264 H HA -0.023 4.533 4.556 -0.000 0.000 0.297 264 H C 2.110 177.339 175.328 -0.165 0.000 1.075 264 H CA 0.886 56.857 56.048 -0.128 0.000 1.342 264 H CB 0.347 30.040 29.762 -0.114 0.000 1.395 264 H HN -0.054 nan 8.280 nan 0.000 0.530 265 V N 0.114 119.951 119.914 -0.127 0.000 2.358 265 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 265 V C 2.801 178.790 176.094 -0.174 0.000 1.047 265 V CA 1.172 63.303 62.300 -0.281 0.000 1.035 265 V CB -0.597 30.783 31.823 -0.739 0.000 0.658 265 V HN 0.188 nan 8.190 nan 0.000 0.452 266 V N 0.952 120.785 119.914 -0.134 0.000 2.332 266 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 266 V C 2.293 178.328 176.094 -0.098 0.000 1.055 266 V CA 2.244 64.492 62.300 -0.086 0.000 1.038 266 V CB -0.793 30.991 31.823 -0.065 0.000 0.651 266 V HN 0.593 nan 8.190 nan 0.000 0.450 267 N N -0.090 118.531 118.700 -0.132 0.000 2.270 267 N HA -0.109 4.631 4.740 -0.000 0.000 0.181 267 N C 1.921 177.364 175.510 -0.111 0.000 1.016 267 N CA 0.983 53.946 53.050 -0.145 0.000 0.870 267 N CB -0.425 37.920 38.487 -0.237 0.000 0.979 267 N HN 0.453 nan 8.380 nan 0.000 0.431 268 R N 1.170 121.619 120.500 -0.085 0.000 2.148 268 R HA 0.020 4.360 4.340 -0.000 0.000 0.227 268 R C 1.856 178.122 176.300 -0.056 0.000 1.103 268 R CA 0.897 56.974 56.100 -0.039 0.000 0.983 268 R CB -0.022 30.276 30.300 -0.003 0.000 0.874 268 R HN 0.367 nan 8.270 nan 0.000 0.451 269 I N -2.963 117.557 120.570 -0.083 0.000 3.941 269 I HA 0.217 4.387 4.170 -0.000 0.000 0.321 269 I C 0.539 176.588 176.117 -0.113 0.000 1.284 269 I CA -0.315 60.916 61.300 -0.114 0.000 1.226 269 I CB 0.445 38.340 38.000 -0.176 0.000 1.045 269 I HN -0.135 nan 8.210 nan 0.000 0.420 270 S N 2.204 117.849 115.700 -0.091 0.000 2.481 270 S HA 0.391 4.861 4.470 -0.000 0.000 0.282 270 S C 1.261 175.817 174.600 -0.073 0.000 1.243 270 S CA 0.739 58.890 58.200 -0.081 0.000 1.078 270 S CB -0.467 62.688 63.200 -0.074 0.000 0.916 270 S HN 0.959 nan 8.310 nan 0.000 0.495 271 G N 3.867 112.622 108.800 -0.074 0.000 2.160 271 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.244 271 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.244 271 G C -0.151 174.712 174.900 -0.062 0.000 1.022 271 G CA -0.058 45.004 45.100 -0.064 0.000 0.741 271 G HN 0.672 nan 8.290 nan 0.000 0.508 272 Q N -0.095 119.659 119.800 -0.076 0.000 2.257 272 Q HA 0.501 4.841 4.340 -0.000 0.000 0.262 272 Q C -2.418 173.538 176.000 -0.073 0.000 0.997 272 Q CA -1.954 53.808 55.803 -0.068 0.000 0.873 272 Q CB 2.244 30.939 28.738 -0.072 0.000 1.312 272 Q HN 0.280 nan 8.270 nan 0.000 0.450 273 P HA 0.146 nan 4.420 nan 0.000 0.271 273 P C -1.305 175.965 177.300 -0.049 0.000 1.216 273 P CA -0.110 62.965 63.100 -0.041 0.000 0.776 273 P CB 0.600 32.289 31.700 -0.019 0.000 0.881 274 A N 5.049 127.841 122.820 -0.046 0.000 2.293 274 A HA 0.509 4.829 4.320 -0.000 0.000 0.312 274 A C -0.088 177.508 177.584 0.021 0.000 1.309 274 A CA -0.687 51.326 52.037 -0.039 0.000 0.839 274 A CB 0.092 19.041 19.000 -0.086 0.000 1.155 274 A HN 0.344 nan 8.150 nan 0.000 0.501 275 I N 3.317 123.912 120.570 0.042 0.000 2.342 275 I HA 0.167 4.337 4.170 -0.000 0.000 0.291 275 I C 0.311 176.482 176.117 0.090 0.000 1.010 275 I CA -0.542 60.794 61.300 0.060 0.000 1.308 275 I CB 1.188 39.219 38.000 0.053 0.000 1.400 275 I HN 0.270 nan 8.210 nan 0.000 0.488 276 V N 7.391 127.363 119.914 0.096 0.000 2.450 276 V HA 0.001 4.121 4.120 -0.000 0.000 0.281 276 V C 1.467 177.624 176.094 0.104 0.000 1.019 276 V CA 0.407 62.778 62.300 0.119 0.000 1.062 276 V CB 0.432 32.326 31.823 0.117 0.000 0.979 276 V HN 0.903 nan 8.190 nan 0.000 0.477 277 T N 2.762 117.384 114.554 0.113 0.000 2.894 277 T HA 0.039 4.389 4.350 -0.000 0.000 0.258 277 T C 0.658 175.413 174.700 0.092 0.000 1.043 277 T CA 1.061 63.219 62.100 0.096 0.000 1.141 277 T CB 0.102 69.029 68.868 0.099 0.000 0.873 277 T HN 0.813 nan 8.240 nan 0.000 0.449 278 S N -0.254 115.512 115.700 0.109 0.000 2.543 278 S HA 0.594 5.064 4.470 -0.000 0.000 0.274 278 S C -1.802 172.894 174.600 0.160 0.000 1.149 278 S CA -1.163 57.105 58.200 0.112 0.000 0.866 278 S CB 1.680 64.924 63.200 0.073 0.000 1.111 278 S HN 0.310 nan 8.310 nan 0.000 0.457 279 Y N 1.579 121.893 120.300 0.024 0.000 2.425 279 Y HA 0.744 5.294 4.550 -0.000 0.000 0.344 279 Y C -1.151 174.754 175.900 0.009 0.000 0.969 279 Y CA -0.540 57.566 58.100 0.011 0.000 1.052 279 Y CB 1.974 40.436 38.460 0.004 0.000 1.215 279 Y HN 0.994 nan 8.280 nan 0.000 0.451 280 N N 3.681 122.024 118.700 -0.596 0.000 2.397 280 N HA 0.212 4.952 4.740 -0.000 0.000 0.291 280 N C -2.399 172.750 175.510 -0.602 0.000 1.065 280 N CA -0.658 52.131 53.050 -0.434 0.000 0.884 280 N CB 1.282 39.662 38.487 -0.178 0.000 1.551 280 N HN 0.531 nan 8.380 nan 0.000 0.487 281 D N 2.287 122.468 120.400 -0.365 0.000 2.438 281 D HA 0.165 4.805 4.640 -0.000 0.000 0.257 281 D C -1.155 175.111 176.300 -0.056 0.000 1.148 281 D CA -0.377 53.506 54.000 -0.195 0.000 0.902 281 D CB 0.607 41.385 40.800 -0.037 0.000 1.062 281 D HN 0.480 nan 8.370 nan 0.000 0.518 282 K N 1.266 121.636 120.400 -0.051 0.000 2.164 282 K HA 0.612 4.932 4.320 -0.000 0.000 0.258 282 K C -0.075 176.537 176.600 0.019 0.000 0.951 282 K CA -0.922 55.359 56.287 -0.011 0.000 0.844 282 K CB 2.249 34.737 32.500 -0.020 0.000 1.099 282 K HN -0.071 nan 8.250 nan 0.000 0.435 283 R N 2.024 122.545 120.500 0.034 0.000 2.265 283 R HA 0.084 4.424 4.340 -0.000 0.000 0.314 283 R C -0.647 175.691 176.300 0.064 0.000 1.053 283 R CA -0.264 55.870 56.100 0.057 0.000 0.931 283 R CB 0.817 31.147 30.300 0.050 0.000 1.024 283 R HN 0.800 nan 8.270 nan 0.000 0.457 284 E N 1.476 121.737 120.200 0.101 0.000 2.234 284 E HA 0.341 4.691 4.350 -0.000 0.000 0.266 284 E C -1.296 175.410 176.600 0.176 0.000 0.877 284 E CA -1.005 55.457 56.400 0.103 0.000 0.758 284 E CB 1.926 31.661 29.700 0.058 0.000 1.170 284 E HN 0.468 nan 8.360 nan 0.000 0.415 285 S N 1.864 117.650 115.700 0.144 0.000 2.475 285 S HA 0.342 4.812 4.470 -0.000 0.000 0.298 285 S C -0.346 174.370 174.600 0.194 0.000 1.119 285 S CA -0.901 57.408 58.200 0.181 0.000 1.085 285 S CB 1.687 64.960 63.200 0.123 0.000 1.028 285 S HN 0.654 nan 8.310 nan 0.000 0.489 286 E N 2.189 122.570 120.200 0.301 0.000 2.114 286 E HA 0.338 4.688 4.350 -0.000 0.000 0.266 286 E C -0.530 176.273 176.600 0.338 0.000 0.896 286 E CA -0.391 56.201 56.400 0.319 0.000 0.750 286 E CB 1.293 31.278 29.700 0.475 0.000 1.121 286 E HN 0.659 nan 8.360 nan 0.000 0.413 287 S N 2.892 118.662 115.700 0.117 0.000 2.572 287 S HA 0.310 4.780 4.470 -0.000 0.000 0.279 287 S C 0.085 174.456 174.600 -0.382 0.000 1.341 287 S CA -0.104 58.066 58.200 -0.050 0.000 1.043 287 S CB 0.572 63.713 63.200 -0.097 0.000 0.887 287 S HN 0.626 nan 8.310 nan 0.000 0.516 288 A N 5.957 128.364 122.820 -0.689 0.000 2.540 288 A HA 0.352 4.672 4.320 -0.000 0.000 0.239 288 A C -1.982 175.039 177.584 -0.939 0.000 1.061 288 A CA -0.902 50.327 52.037 -1.348 0.000 0.758 288 A CB -0.512 18.037 19.000 -0.752 0.000 0.991 288 A HN 0.727 nan 8.150 nan 0.000 0.502 289 P HA 0.180 nan 4.420 nan 0.000 0.269 289 P C -0.312 176.649 177.300 -0.566 0.000 1.215 289 P CA -0.030 62.690 63.100 -0.634 0.000 0.780 289 P CB 0.477 31.847 31.700 -0.549 0.000 0.898 290 L N 3.257 124.193 121.223 -0.479 0.000 2.472 290 L HA 0.242 4.582 4.340 -0.000 0.000 0.260 290 L C -1.778 174.779 176.870 -0.521 0.000 1.209 290 L CA -1.875 52.650 54.840 -0.524 0.000 0.817 290 L CB -0.448 41.269 42.059 -0.571 0.000 1.106 290 L HN 0.266 nan 8.230 nan 0.000 0.479 291 P HA -0.031 nan 4.420 nan 0.000 0.269 291 P C -0.744 176.383 177.300 -0.288 0.000 1.217 291 P CA -0.090 62.758 63.100 -0.420 0.000 0.783 291 P CB 0.244 31.768 31.700 -0.293 0.000 0.898 292 F N 0.337 120.231 119.950 -0.093 0.000 2.529 292 F HA 0.104 4.631 4.527 -0.000 0.000 0.365 292 F C 1.600 177.365 175.800 -0.058 0.000 1.102 292 F CA 0.261 58.219 58.000 -0.071 0.000 1.271 292 F CB -0.357 38.618 39.000 -0.042 0.000 1.120 292 F HN 0.220 nan 8.300 nan 0.000 0.579 293 S N 3.411 119.219 115.700 0.181 0.000 2.681 293 S HA 0.311 4.781 4.470 -0.000 0.000 0.270 293 S C 0.961 175.584 174.600 0.038 0.000 1.209 293 S CA -0.859 57.393 58.200 0.086 0.000 0.988 293 S CB 1.008 64.245 63.200 0.062 0.000 1.006 293 S HN 0.619 nan 8.310 nan 0.000 0.558 294 L N 1.689 122.893 121.223 -0.030 0.000 1.989 294 L HA -0.103 4.237 4.340 -0.000 0.000 0.211 294 L C 2.631 179.447 176.870 -0.090 0.000 1.071 294 L CA 2.782 57.569 54.840 -0.088 0.000 0.749 294 L CB -1.601 40.385 42.059 -0.122 0.000 0.890 294 L HN 0.984 nan 8.230 nan 0.000 0.431 295 S N -0.579 115.090 115.700 -0.052 0.000 2.399 295 S HA -0.091 4.379 4.470 -0.000 0.000 0.231 295 S C 2.088 176.659 174.600 -0.050 0.000 1.022 295 S CA 0.809 58.981 58.200 -0.046 0.000 0.983 295 S CB -1.050 62.140 63.200 -0.016 0.000 0.803 295 S HN 0.554 nan 8.310 nan 0.000 0.480 296 A N 1.844 124.656 122.820 -0.014 0.000 1.930 296 A HA 0.126 4.446 4.320 -0.000 0.000 0.217 296 A C 2.195 179.639 177.584 -0.234 0.000 1.175 296 A CA 1.409 53.466 52.037 0.033 0.000 0.627 296 A CB -0.817 18.328 19.000 0.241 0.000 0.815 296 A HN 0.504 nan 8.150 nan 0.000 0.443 297 L N -0.108 120.811 121.223 -0.508 0.000 2.017 297 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 297 L C 2.428 179.025 176.870 -0.455 0.000 1.073 297 L CA 2.367 56.641 54.840 -0.945 0.000 0.745 297 L CB -0.797 40.865 42.059 -0.662 0.000 0.894 297 L HN 0.504 nan 8.230 nan 0.000 0.432 298 Q N -0.540 119.113 119.800 -0.245 0.000 2.050 298 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 298 Q C 2.288 178.226 176.000 -0.104 0.000 0.980 298 Q CA 2.249 57.969 55.803 -0.138 0.000 0.840 298 Q CB -0.268 28.414 28.738 -0.093 0.000 0.898 298 Q HN 0.575 nan 8.270 nan 0.000 0.424 299 I N 0.445 120.960 120.570 -0.090 0.000 2.163 299 I HA -0.309 3.861 4.170 -0.000 0.000 0.243 299 I C 2.425 178.510 176.117 -0.054 0.000 1.085 299 I CA 1.400 62.673 61.300 -0.045 0.000 1.347 299 I CB -0.176 37.819 38.000 -0.008 0.000 1.044 299 I HN 0.243 nan 8.210 nan 0.000 0.408 300 E N 1.200 121.343 120.200 -0.096 0.000 2.047 300 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 300 E C 2.146 178.689 176.600 -0.094 0.000 0.987 300 E CA 1.530 57.886 56.400 -0.073 0.000 0.799 300 E CB -0.151 29.512 29.700 -0.062 0.000 0.752 300 E HN 0.411 nan 8.360 nan 0.000 0.449 301 A N 0.823 123.591 122.820 -0.086 0.000 1.933 301 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 301 A C 2.402 180.010 177.584 0.040 0.000 1.175 301 A CA 1.860 53.930 52.037 0.055 0.000 0.628 301 A CB -0.964 18.081 19.000 0.074 0.000 0.814 301 A HN 0.410 nan 8.150 nan 0.000 0.444 302 A N -0.088 122.724 122.820 -0.014 0.000 1.858 302 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 302 A C 2.172 179.731 177.584 -0.041 0.000 1.190 302 A CA 1.989 54.017 52.037 -0.014 0.000 0.617 302 A CB -0.540 18.446 19.000 -0.023 0.000 0.827 302 A HN 0.499 nan 8.150 nan 0.000 0.443 303 K N -0.985 119.375 120.400 -0.066 0.000 2.032 303 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 303 K C 2.328 178.833 176.600 -0.159 0.000 1.048 303 K CA 1.418 57.655 56.287 -0.084 0.000 0.927 303 K CB -0.164 32.298 32.500 -0.064 0.000 0.712 303 K HN 0.271 nan 8.250 nan 0.000 0.441 304 R N -0.644 119.672 120.500 -0.306 0.000 2.062 304 R HA -0.061 4.279 4.340 -0.000 0.000 0.229 304 R C 1.895 177.825 176.300 -0.616 0.000 1.128 304 R CA 1.316 57.022 56.100 -0.657 0.000 0.960 304 R CB -0.194 29.340 30.300 -1.276 0.000 0.855 304 R HN 0.261 nan 8.270 nan 0.000 0.432 305 F N -1.764 118.188 119.950 0.004 0.000 2.767 305 F HA 0.337 4.864 4.527 -0.000 0.000 0.323 305 F C 1.225 177.020 175.800 -0.008 0.000 1.091 305 F CA 0.116 58.117 58.000 0.001 0.000 1.192 305 F CB 0.222 39.223 39.000 0.002 0.000 1.056 305 F HN 0.201 nan 8.300 nan 0.000 0.571 306 G N 1.675 110.539 108.800 0.108 0.000 2.160 306 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.251 306 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.251 306 G C 0.020 174.954 174.900 0.056 0.000 1.008 306 G CA -0.096 45.037 45.100 0.055 0.000 0.724 306 G HN 0.288 nan 8.290 nan 0.000 0.514 307 L N 1.864 123.139 121.223 0.086 0.000 2.319 307 L HA 0.462 4.802 4.340 -0.000 0.000 0.280 307 L C 1.422 178.300 176.870 0.013 0.000 1.099 307 L CA -0.046 54.825 54.840 0.052 0.000 0.828 307 L CB 1.245 43.349 42.059 0.075 0.000 1.150 307 L HN 0.440 nan 8.230 nan 0.000 0.442 308 S N 2.381 118.076 115.700 -0.009 0.000 2.593 308 S HA 0.268 4.738 4.470 -0.000 0.000 0.269 308 S C 1.264 175.846 174.600 -0.031 0.000 1.334 308 S CA -0.164 58.020 58.200 -0.027 0.000 1.015 308 S CB 1.588 64.763 63.200 -0.040 0.000 0.912 308 S HN 0.702 nan 8.310 nan 0.000 0.541 309 A N 1.294 124.091 122.820 -0.037 0.000 1.892 309 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 309 A C 2.253 179.810 177.584 -0.045 0.000 1.188 309 A CA 2.165 54.176 52.037 -0.043 0.000 0.631 309 A CB -1.260 17.716 19.000 -0.040 0.000 0.822 309 A HN 0.853 nan 8.150 nan 0.000 0.447 310 Q N -0.217 119.557 119.800 -0.042 0.000 2.123 310 Q HA -0.096 4.244 4.340 -0.000 0.000 0.199 310 Q C 1.911 177.889 176.000 -0.037 0.000 0.966 310 Q CA 1.740 57.518 55.803 -0.040 0.000 0.845 310 Q CB -0.442 28.272 28.738 -0.039 0.000 0.907 310 Q HN 0.672 nan 8.270 nan 0.000 0.439 311 N N -0.738 117.942 118.700 -0.034 0.000 2.120 311 N HA -0.123 4.617 4.740 -0.000 0.000 0.188 311 N C 1.504 176.999 175.510 -0.026 0.000 1.024 311 N CA 1.479 54.513 53.050 -0.028 0.000 0.852 311 N CB -0.256 38.217 38.487 -0.024 0.000 1.003 311 N HN 0.148 nan 8.380 nan 0.000 0.424 312 V N 0.797 120.693 119.914 -0.030 0.000 2.332 312 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 312 V C 2.357 178.425 176.094 -0.044 0.000 1.055 312 V CA 1.413 63.692 62.300 -0.036 0.000 1.038 312 V CB -0.634 31.160 31.823 -0.049 0.000 0.651 312 V HN 0.327 nan 8.190 nan 0.000 0.450 313 L N 0.264 121.456 121.223 -0.052 0.000 2.093 313 L HA -0.125 4.214 4.340 -0.000 0.000 0.208 313 L C 2.037 178.882 176.870 -0.041 0.000 1.085 313 L CA 1.957 56.761 54.840 -0.061 0.000 0.755 313 L CB -0.918 41.100 42.059 -0.068 0.000 0.904 313 L HN 0.294 nan 8.230 nan 0.000 0.435 314 D N -0.233 120.149 120.400 -0.030 0.000 2.117 314 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 314 D C 2.316 178.612 176.300 -0.007 0.000 0.987 314 D CA 1.825 55.813 54.000 -0.019 0.000 0.829 314 D CB -0.133 40.655 40.800 -0.020 0.000 0.961 314 D HN 0.422 nan 8.370 nan 0.000 0.460 315 I N 0.439 121.007 120.570 -0.003 0.000 2.226 315 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 315 I C 2.449 178.590 176.117 0.040 0.000 1.100 315 I CA 0.692 62.002 61.300 0.018 0.000 1.374 315 I CB -0.109 37.897 38.000 0.009 0.000 1.057 315 I HN 0.060 nan 8.210 nan 0.000 0.413 316 C N -0.179 119.132 119.300 0.019 0.000 2.440 316 C HA -0.163 4.296 4.460 -0.000 0.000 0.278 316 C C 2.848 177.877 174.990 0.066 0.000 1.295 316 C CA 0.863 59.899 59.018 0.031 0.000 1.738 316 C CB -0.968 26.752 27.740 -0.033 0.000 1.987 316 C HN 0.542 nan 8.230 nan 0.000 0.492 317 Q N 0.925 120.750 119.800 0.040 0.000 2.119 317 Q HA -0.227 4.113 4.340 -0.000 0.000 0.201 317 Q C 2.148 178.189 176.000 0.069 0.000 0.972 317 Q CA 1.566 57.420 55.803 0.084 0.000 0.847 317 Q CB -0.068 28.692 28.738 0.037 0.000 0.903 317 Q HN 0.559 nan 8.270 nan 0.000 0.433 318 K N 0.261 120.672 120.400 0.019 0.000 2.057 318 K HA -0.103 4.217 4.320 -0.000 0.000 0.207 318 K C 1.959 178.538 176.600 -0.036 0.000 1.049 318 K CA 1.151 57.405 56.287 -0.055 0.000 0.931 318 K CB -0.140 32.338 32.500 -0.036 0.000 0.714 318 K HN 0.225 nan 8.250 nan 0.000 0.440 319 L N -0.537 120.762 121.223 0.128 0.000 2.141 319 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 319 L C 2.216 179.196 176.870 0.183 0.000 1.094 319 L CA 1.096 56.059 54.840 0.205 0.000 0.763 319 L CB -0.482 41.703 42.059 0.210 0.000 0.908 319 L HN 0.252 nan 8.230 nan 0.000 0.437 320 Y N 0.834 121.152 120.300 0.030 0.000 2.153 320 Y HA -0.161 4.389 4.550 -0.000 0.000 0.289 320 Y C 2.398 178.298 175.900 0.001 0.000 1.127 320 Y CA 1.562 59.681 58.100 0.031 0.000 1.131 320 Y CB 0.001 38.479 38.460 0.029 0.000 0.995 320 Y HN 0.155 nan 8.280 nan 0.000 0.505 321 E N -1.527 118.581 120.200 -0.154 0.000 2.127 321 E HA -0.028 4.322 4.350 -0.000 0.000 0.191 321 E C 1.937 178.390 176.600 -0.246 0.000 0.964 321 E CA 1.278 57.505 56.400 -0.288 0.000 0.832 321 E CB 0.052 29.660 29.700 -0.154 0.000 0.790 321 E HN 0.346 nan 8.360 nan 0.000 0.465 322 T N 0.350 114.749 114.554 -0.258 0.000 2.837 322 T HA -0.029 4.321 4.350 -0.000 0.000 0.248 322 T C 1.589 176.112 174.700 -0.295 0.000 1.033 322 T CA 0.767 62.661 62.100 -0.343 0.000 1.150 322 T CB -0.156 68.386 68.868 -0.543 0.000 0.865 322 T HN 0.160 nan 8.240 nan 0.000 0.425 323 H N 1.350 120.369 119.070 -0.086 0.000 2.482 323 H HA 0.242 4.798 4.556 -0.000 0.000 0.286 323 H C 0.751 176.013 175.328 -0.110 0.000 1.017 323 H CA 0.498 56.484 56.048 -0.104 0.000 1.322 323 H CB -0.008 29.681 29.762 -0.121 0.000 1.426 323 H HN 0.396 nan 8.280 nan 0.000 0.546 324 K N 0.293 120.694 120.400 0.001 0.000 3.069 324 K HA -0.171 4.149 4.320 -0.000 0.000 0.267 324 K C 0.753 177.372 176.600 0.032 0.000 1.082 324 K CA 0.239 56.517 56.287 -0.015 0.000 0.782 324 K CB -1.600 30.868 32.500 -0.054 0.000 1.230 324 K HN 0.256 nan 8.250 nan 0.000 0.488 325 L N 0.060 121.314 121.223 0.052 0.000 2.446 325 L HA 0.215 4.555 4.340 -0.000 0.000 0.219 325 L C 1.337 178.353 176.870 0.243 0.000 1.116 325 L CA 0.412 55.278 54.840 0.043 0.000 0.844 325 L CB -0.100 41.856 42.059 -0.171 0.000 0.970 325 L HN 0.368 nan 8.230 nan 0.000 0.457 326 I N -4.120 116.601 120.570 0.252 0.000 3.145 326 I HA 0.505 4.675 4.170 -0.000 0.000 0.313 326 I C 0.140 176.454 176.117 0.329 0.000 1.122 326 I CA -0.739 60.715 61.300 0.256 0.000 0.987 326 I CB 2.083 40.211 38.000 0.213 0.000 1.236 326 I HN -0.172 nan 8.210 nan 0.000 0.453 327 T N -0.476 114.236 114.554 0.264 0.000 2.849 327 T HA 0.282 4.632 4.350 -0.000 0.000 0.276 327 T C -0.164 174.490 174.700 -0.077 0.000 0.971 327 T CA -0.243 62.021 62.100 0.274 0.000 0.949 327 T CB 0.467 69.535 68.868 0.332 0.000 1.093 327 T HN 0.581 nan 8.240 nan 0.000 0.545 328 Y N 3.600 123.594 120.300 -0.510 0.000 2.863 328 Y HA 0.153 4.703 4.550 -0.000 0.000 0.359 328 Y C -1.648 173.914 175.900 -0.563 0.000 1.312 328 Y CA -1.885 55.617 58.100 -0.997 0.000 1.650 328 Y CB 0.216 38.361 38.460 -0.524 0.000 1.201 328 Y HN 0.422 nan 8.280 nan 0.000 0.531 329 P HA 0.043 nan 4.420 nan 0.000 0.255 329 P C 0.212 177.165 177.300 -0.579 0.000 1.248 329 P CA 0.741 63.527 63.100 -0.524 0.000 0.807 329 P CB 0.296 31.806 31.700 -0.317 0.000 1.150 330 R N -0.544 119.345 120.500 -1.020 0.000 2.334 330 R HA 0.195 4.535 4.340 -0.000 0.000 0.220 330 R C 0.964 176.944 176.300 -0.533 0.000 0.917 330 R CA -0.059 55.609 56.100 -0.720 0.000 1.073 330 R CB -0.096 29.795 30.300 -0.682 0.000 1.056 330 R HN 0.041 nan 8.270 nan 0.000 0.506 331 S N 1.765 117.183 115.700 -0.470 0.000 2.562 331 S HA -0.037 4.433 4.470 -0.000 0.000 0.281 331 S C 0.754 175.347 174.600 -0.011 0.000 1.333 331 S CA -0.441 57.689 58.200 -0.117 0.000 1.052 331 S CB 0.643 63.883 63.200 0.067 0.000 0.884 331 S HN 0.385 nan 8.310 nan 0.000 0.506 332 D N 2.364 122.835 120.400 0.119 0.000 2.398 332 D HA 0.062 4.702 4.640 -0.000 0.000 0.210 332 D C 0.509 176.897 176.300 0.146 0.000 1.094 332 D CA -0.256 53.811 54.000 0.113 0.000 0.839 332 D CB -0.713 40.152 40.800 0.108 0.000 0.963 332 D HN 0.301 nan 8.370 nan 0.000 0.506 333 C N 0.986 120.403 119.300 0.195 0.000 2.401 333 C HA 0.493 4.953 4.460 -0.000 0.000 0.365 333 C C 1.230 176.275 174.990 0.092 0.000 1.250 333 C CA -0.599 58.504 59.018 0.141 0.000 2.131 333 C CB 0.241 28.038 27.740 0.094 0.000 2.445 333 C HN 0.246 nan 8.230 nan 0.000 0.550 334 R N 2.467 122.996 120.500 0.049 0.000 2.509 334 R HA 0.193 4.532 4.340 -0.000 0.000 0.300 334 R C -0.906 175.141 176.300 -0.421 0.000 0.985 334 R CA 0.062 56.060 56.100 -0.171 0.000 1.092 334 R CB 0.328 30.470 30.300 -0.264 0.000 1.237 334 R HN 0.688 nan 8.270 nan 0.000 0.546 335 Y N 0.125 120.367 120.300 -0.097 0.000 2.631 335 Y HA 0.547 5.097 4.550 -0.000 0.000 0.328 335 Y C 0.209 176.018 175.900 -0.152 0.000 1.118 335 Y CA -0.918 57.086 58.100 -0.160 0.000 1.206 335 Y CB 1.360 39.743 38.460 -0.129 0.000 1.337 335 Y HN -0.235 nan 8.280 nan 0.000 0.515 336 L N 1.951 123.140 121.223 -0.056 0.000 2.388 336 L HA 0.516 4.856 4.340 -0.000 0.000 0.264 336 L C -2.754 174.096 176.870 -0.033 0.000 0.998 336 L CA -2.353 52.389 54.840 -0.163 0.000 0.817 336 L CB 2.504 44.357 42.059 -0.344 0.000 1.338 336 L HN 0.288 nan 8.230 nan 0.000 0.414 337 P HA 0.075 nan 4.420 nan 0.000 0.268 337 P C -0.017 177.414 177.300 0.217 0.000 1.205 337 P CA -0.079 63.018 63.100 -0.004 0.000 0.771 337 P CB 0.613 32.257 31.700 -0.094 0.000 0.858 338 E N 1.251 121.581 120.200 0.217 0.000 2.265 338 E HA -0.226 4.124 4.350 -0.000 0.000 0.196 338 E C 1.405 178.151 176.600 0.243 0.000 0.996 338 E CA 0.870 57.422 56.400 0.255 0.000 0.832 338 E CB -0.011 29.770 29.700 0.134 0.000 0.756 338 E HN 0.617 nan 8.360 nan 0.000 0.491 339 E N -0.024 120.323 120.200 0.244 0.000 2.358 339 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 339 E C 1.471 178.234 176.600 0.273 0.000 1.010 339 E CA 0.282 56.814 56.400 0.220 0.000 0.856 339 E CB 0.155 29.976 29.700 0.201 0.000 0.795 339 E HN 0.467 nan 8.360 nan 0.000 0.504 340 H N -1.145 118.042 119.070 0.196 0.000 2.495 340 H HA -0.090 4.466 4.556 -0.000 0.000 0.287 340 H C 1.696 177.101 175.328 0.129 0.000 1.033 340 H CA 0.478 56.665 56.048 0.231 0.000 1.307 340 H CB 0.145 30.131 29.762 0.372 0.000 1.401 340 H HN 0.224 nan 8.280 nan 0.000 0.555 341 F N 1.892 121.739 119.950 -0.172 0.000 2.126 341 F HA -0.212 4.315 4.527 -0.000 0.000 0.299 341 F C 2.511 178.076 175.800 -0.391 0.000 1.096 341 F CA 1.209 58.747 58.000 -0.769 0.000 1.255 341 F CB -0.274 38.148 39.000 -0.963 0.000 0.997 341 F HN 0.042 nan 8.300 nan 0.000 0.479 342 A N -0.276 122.412 122.820 -0.221 0.000 2.067 342 A HA 0.038 4.358 4.320 -0.000 0.000 0.219 342 A C 2.264 179.707 177.584 -0.234 0.000 1.158 342 A CA 1.268 53.163 52.037 -0.235 0.000 0.661 342 A CB -1.564 17.400 19.000 -0.059 0.000 0.801 342 A HN 0.453 nan 8.150 nan 0.000 0.452 343 G N -0.193 108.508 108.800 -0.166 0.000 3.181 343 G HA2 0.061 4.021 3.960 -0.000 0.000 0.219 343 G HA3 0.061 4.021 3.960 -0.000 0.000 0.219 343 G C 1.362 176.197 174.900 -0.107 0.000 1.182 343 G CA 0.448 45.481 45.100 -0.112 0.000 0.791 343 G HN 0.724 nan 8.290 nan 0.000 0.537 344 R N -0.594 119.748 120.500 -0.262 0.000 2.119 344 R HA -0.005 4.335 4.340 -0.000 0.000 0.222 344 R C 1.655 177.818 176.300 -0.227 0.000 1.088 344 R CA 0.878 56.872 56.100 -0.176 0.000 0.984 344 R CB -0.647 29.407 30.300 -0.410 0.000 0.884 344 R HN 0.317 nan 8.270 nan 0.000 0.447 345 H N 1.331 120.308 119.070 -0.154 0.000 2.353 345 H HA 0.044 4.600 4.556 -0.000 0.000 0.300 345 H C 2.256 177.550 175.328 -0.057 0.000 1.090 345 H CA 1.691 57.663 56.048 -0.126 0.000 1.327 345 H CB -0.293 29.388 29.762 -0.135 0.000 1.383 345 H HN 0.437 nan 8.280 nan 0.000 0.508 346 A N 0.964 123.821 122.820 0.061 0.000 1.933 346 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 346 A C 2.842 180.449 177.584 0.040 0.000 1.175 346 A CA 1.547 53.607 52.037 0.039 0.000 0.628 346 A CB -0.812 18.201 19.000 0.020 0.000 0.814 346 A HN 0.213 nan 8.150 nan 0.000 0.444 347 V N -0.028 119.908 119.914 0.036 0.000 2.343 347 V HA -0.317 3.802 4.120 -0.000 0.000 0.247 347 V C 2.626 178.757 176.094 0.062 0.000 1.051 347 V CA 2.207 64.518 62.300 0.018 0.000 1.036 347 V CB -0.758 31.019 31.823 -0.077 0.000 0.654 347 V HN 0.570 nan 8.190 nan 0.000 0.451 348 M N 0.180 119.844 119.600 0.106 0.000 2.159 348 M HA -0.192 4.288 4.480 -0.000 0.000 0.263 348 M C 2.184 178.531 176.300 0.078 0.000 1.063 348 M CA 2.178 57.547 55.300 0.115 0.000 1.110 348 M CB -0.735 31.910 32.600 0.075 0.000 1.374 348 M HN 0.449 nan 8.290 nan 0.000 0.411 349 N N 0.767 119.499 118.700 0.053 0.000 2.104 349 N HA -0.140 4.600 4.740 -0.000 0.000 0.190 349 N C 1.564 177.082 175.510 0.014 0.000 1.024 349 N CA 1.954 55.020 53.050 0.026 0.000 0.853 349 N CB -0.062 38.435 38.487 0.016 0.000 1.008 349 N HN 0.313 nan 8.380 nan 0.000 0.424 350 A N 0.255 123.105 122.820 0.051 0.000 1.930 350 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 350 A C 2.266 179.925 177.584 0.124 0.000 1.175 350 A CA 1.025 53.108 52.037 0.077 0.000 0.627 350 A CB -0.697 18.421 19.000 0.196 0.000 0.815 350 A HN 0.406 nan 8.150 nan 0.000 0.443 351 I N 0.732 121.414 120.570 0.186 0.000 2.179 351 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 351 I C 2.833 179.041 176.117 0.152 0.000 1.088 351 I CA 1.681 63.136 61.300 0.257 0.000 1.357 351 I CB -0.290 37.836 38.000 0.210 0.000 1.051 351 I HN 0.504 nan 8.210 nan 0.000 0.409 352 S N 0.147 115.887 115.700 0.067 0.000 2.469 352 S HA -0.080 4.390 4.470 -0.000 0.000 0.238 352 S C 1.842 176.416 174.600 -0.044 0.000 0.998 352 S CA 0.914 59.129 58.200 0.025 0.000 0.957 352 S CB -0.660 62.549 63.200 0.015 0.000 0.764 352 S HN 0.254 nan 8.310 nan 0.000 0.514 353 V N 1.862 121.686 119.914 -0.151 0.000 2.273 353 V HA -0.062 4.058 4.120 -0.000 0.000 0.242 353 V C 2.630 178.538 176.094 -0.310 0.000 1.035 353 V CA 1.635 63.748 62.300 -0.312 0.000 1.013 353 V CB -0.804 30.669 31.823 -0.583 0.000 0.652 353 V HN 0.599 nan 8.190 nan 0.000 0.452 354 H N 0.221 119.274 119.070 -0.029 0.000 2.465 354 H HA 0.351 4.907 4.556 -0.000 0.000 0.289 354 H C 1.228 176.539 175.328 -0.029 0.000 1.022 354 H CA 1.111 57.065 56.048 -0.156 0.000 1.340 354 H CB 0.164 29.622 29.762 -0.507 0.000 1.437 354 H HN 0.447 nan 8.280 nan 0.000 0.539 355 A N 2.565 125.530 122.820 0.243 0.000 3.064 355 A HA 0.291 4.611 4.320 -0.000 0.000 0.339 355 A C -1.687 175.982 177.584 0.141 0.000 1.078 355 A CA -1.212 50.969 52.037 0.240 0.000 0.869 355 A CB 0.521 19.743 19.000 0.370 0.000 1.067 355 A HN 0.022 nan 8.150 nan 0.000 0.480 356 P HA -0.128 nan 4.420 nan 0.000 0.220 356 P C 0.316 177.650 177.300 0.057 0.000 1.148 356 P CA 1.071 64.200 63.100 0.049 0.000 0.803 356 P CB 0.308 32.020 31.700 0.020 0.000 0.782 357 D N -0.613 119.828 120.400 0.069 0.000 2.347 357 D HA 0.017 4.657 4.640 -0.000 0.000 0.215 357 D C 1.942 178.290 176.300 0.080 0.000 0.976 357 D CA 0.458 54.498 54.000 0.067 0.000 0.884 357 D CB -0.250 40.591 40.800 0.067 0.000 0.915 357 D HN 0.251 nan 8.370 nan 0.000 0.526 358 L N -0.423 120.859 121.223 0.098 0.000 2.313 358 L HA 0.083 4.423 4.340 -0.000 0.000 0.214 358 L C 0.651 177.579 176.870 0.098 0.000 1.119 358 L CA 0.628 55.534 54.840 0.110 0.000 0.809 358 L CB 0.238 42.380 42.059 0.138 0.000 0.933 358 L HN -0.098 nan 8.230 nan 0.000 0.449 359 L N -0.746 120.526 121.223 0.082 0.000 2.434 359 L HA 0.438 4.778 4.340 -0.000 0.000 0.260 359 L C -2.294 174.605 176.870 0.048 0.000 0.983 359 L CA -1.802 53.079 54.840 0.069 0.000 0.820 359 L CB 2.153 44.256 42.059 0.073 0.000 1.361 359 L HN -0.191 nan 8.230 nan 0.000 0.410 360 P HA 0.188 nan 4.420 nan 0.000 0.274 360 P C -1.565 175.764 177.300 0.048 0.000 1.237 360 P CA -0.439 62.685 63.100 0.040 0.000 0.793 360 P CB 1.412 33.128 31.700 0.027 0.000 0.977 361 Q N 2.021 121.853 119.800 0.054 0.000 2.295 361 Q HA 0.293 4.633 4.340 -0.000 0.000 0.259 361 Q C -2.155 173.878 176.000 0.055 0.000 0.966 361 Q CA -1.710 54.128 55.803 0.058 0.000 0.763 361 Q CB 1.656 30.441 28.738 0.078 0.000 1.283 361 Q HN 0.113 nan 8.270 nan 0.000 0.445 362 P HA -0.180 nan 4.420 nan 0.000 0.219 362 P C 1.066 178.396 177.300 0.051 0.000 1.146 362 P CA 0.715 63.839 63.100 0.040 0.000 0.808 362 P CB 0.337 32.054 31.700 0.028 0.000 0.779 363 V N -0.086 119.863 119.914 0.058 0.000 2.667 363 V HA -0.064 4.055 4.120 -0.000 0.000 0.252 363 V C 0.982 177.140 176.094 0.107 0.000 1.065 363 V CA 0.759 63.102 62.300 0.072 0.000 1.083 363 V CB -0.382 31.479 31.823 0.063 0.000 0.692 363 V HN -0.173 nan 8.190 nan 0.000 0.468 364 V N 2.665 122.649 119.914 0.116 0.000 2.450 364 V HA 0.153 4.273 4.120 -0.000 0.000 0.281 364 V C -0.088 176.081 176.094 0.125 0.000 1.019 364 V CA 0.356 62.748 62.300 0.154 0.000 1.062 364 V CB 0.762 32.674 31.823 0.148 0.000 0.979 364 V HN 0.533 nan 8.190 nan 0.000 0.477 365 D N 7.317 127.822 120.400 0.175 0.000 2.420 365 D HA 0.386 5.026 4.640 -0.000 0.000 0.255 365 D C -1.974 174.428 176.300 0.171 0.000 1.185 365 D CA -2.172 51.911 54.000 0.139 0.000 0.904 365 D CB 2.309 43.191 40.800 0.138 0.000 1.102 365 D HN 0.190 nan 8.370 nan 0.000 0.534 366 P HA -0.010 nan 4.420 nan 0.000 0.234 366 P C 0.622 177.966 177.300 0.073 0.000 1.167 366 P CA 0.580 63.576 63.100 -0.174 0.000 0.763 366 P CB 0.423 31.991 31.700 -0.219 0.000 0.835 367 D N -0.940 119.553 120.400 0.154 0.000 2.317 367 D HA -0.001 4.639 4.640 -0.000 0.000 0.211 367 D C 0.556 177.024 176.300 0.280 0.000 0.966 367 D CA 0.123 54.243 54.000 0.200 0.000 0.876 367 D CB -0.282 40.594 40.800 0.127 0.000 0.927 367 D HN 0.079 nan 8.370 nan 0.000 0.519 368 I N 1.445 122.209 120.570 0.323 0.000 2.517 368 I HA 0.064 4.234 4.170 -0.000 0.000 0.285 368 I C 0.530 176.861 176.117 0.357 0.000 1.106 368 I CA 0.090 61.563 61.300 0.289 0.000 1.402 368 I CB 0.686 38.837 38.000 0.251 0.000 1.399 368 I HN -0.093 nan 8.210 nan 0.000 0.535 369 R N 7.043 127.593 120.500 0.084 0.000 2.272 369 R HA 0.217 4.557 4.340 -0.000 0.000 0.323 369 R C -0.190 176.100 176.300 -0.016 0.000 1.002 369 R CA -0.604 55.373 56.100 -0.206 0.000 0.900 369 R CB 0.396 30.253 30.300 -0.738 0.000 1.151 369 R HN 0.771 nan 8.270 nan 0.000 0.507 370 N N 3.323 122.108 118.700 0.141 0.000 2.531 370 N HA 0.034 4.774 4.740 -0.000 0.000 0.301 370 N C 0.734 176.277 175.510 0.055 0.000 1.310 370 N CA -0.378 52.699 53.050 0.046 0.000 0.949 370 N CB 0.219 38.671 38.487 -0.059 0.000 1.111 370 N HN 0.589 nan 8.380 nan 0.000 0.565 371 R N -1.050 119.427 120.500 -0.038 0.000 2.189 371 R HA -0.024 4.316 4.340 -0.000 0.000 0.223 371 R C 1.921 178.227 176.300 0.011 0.000 1.092 371 R CA 1.454 57.552 56.100 -0.004 0.000 0.989 371 R CB -1.177 29.118 30.300 -0.008 0.000 0.876 371 R HN 0.654 nan 8.270 nan 0.000 0.457 372 C N -0.481 118.672 119.300 -0.246 0.000 2.448 372 C HA 0.147 4.607 4.460 -0.000 0.000 0.280 372 C C 0.438 175.228 174.990 -0.334 0.000 1.398 372 C CA -1.290 57.478 59.018 -0.418 0.000 1.774 372 C CB -1.241 26.013 27.740 -0.810 0.000 1.888 372 C HN 0.539 nan 8.230 nan 0.000 0.519 373 W N 2.391 123.688 121.300 -0.005 0.000 2.422 373 W HA 0.539 5.199 4.660 -0.000 0.000 0.349 373 W C 0.001 176.517 176.519 -0.005 0.000 1.062 373 W CA -0.352 56.990 57.345 -0.005 0.000 1.497 373 W CB -0.033 29.385 29.460 -0.069 0.000 1.407 373 W HN 0.199 nan 8.180 nan 0.000 0.393 374 D N 2.358 122.850 120.400 0.153 0.000 2.478 374 D HA 0.034 4.674 4.640 -0.000 0.000 0.240 374 D C 0.282 176.572 176.300 -0.016 0.000 1.364 374 D CA -0.241 53.777 54.000 0.031 0.000 0.987 374 D CB 1.230 41.977 40.800 -0.089 0.000 1.328 374 D HN 0.188 nan 8.370 nan 0.000 0.584 375 D N 1.951 122.349 120.400 -0.002 0.000 2.264 375 D HA -0.057 4.583 4.640 -0.000 0.000 0.208 375 D C 1.420 177.686 176.300 -0.056 0.000 0.966 375 D CA 0.769 54.762 54.000 -0.013 0.000 0.864 375 D CB 0.518 41.321 40.800 0.006 0.000 0.933 375 D HN 0.426 nan 8.370 nan 0.000 0.499 376 K N 0.175 120.521 120.400 -0.090 0.000 2.296 376 K HA 0.034 4.354 4.320 -0.000 0.000 0.200 376 K C 1.521 178.020 176.600 -0.170 0.000 1.048 376 K CA 0.665 56.882 56.287 -0.116 0.000 0.966 376 K CB 0.346 32.776 32.500 -0.116 0.000 0.754 376 K HN -0.013 nan 8.250 nan 0.000 0.466 377 K N 0.719 120.972 120.400 -0.245 0.000 2.374 377 K HA 0.079 4.399 4.320 -0.000 0.000 0.202 377 K C -0.129 176.354 176.600 -0.195 0.000 1.040 377 K CA -0.090 55.981 56.287 -0.360 0.000 1.085 377 K CB 1.165 33.114 32.500 -0.918 0.000 0.873 377 K HN -0.028 nan 8.250 nan 0.000 0.539 378 V N -1.039 118.813 119.914 -0.103 0.000 2.532 378 V HA 0.353 4.473 4.120 -0.000 0.000 0.295 378 V C -0.101 175.933 176.094 -0.100 0.000 1.041 378 V CA -0.952 61.316 62.300 -0.054 0.000 0.926 378 V CB 1.613 33.439 31.823 0.005 0.000 0.992 378 V HN -0.092 nan 8.190 nan 0.000 0.457 379 D N 3.163 123.448 120.400 -0.192 0.000 2.399 379 D HA 0.471 5.111 4.640 -0.000 0.000 0.288 379 D C 1.461 177.673 176.300 -0.147 0.000 1.197 379 D CA 0.278 54.127 54.000 -0.253 0.000 1.081 379 D CB 0.658 41.111 40.800 -0.579 0.000 1.139 379 D HN 0.732 nan 8.370 nan 0.000 0.554 380 A N -0.449 122.325 122.820 -0.077 0.000 2.119 380 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 380 A C 0.769 178.400 177.584 0.079 0.000 1.153 380 A CA 1.052 53.135 52.037 0.077 0.000 0.692 380 A CB -0.719 18.393 19.000 0.187 0.000 0.799 380 A HN 0.561 nan 8.150 nan 0.000 0.458 381 H N -1.690 117.399 119.070 0.032 0.000 2.670 381 H HA 0.685 5.241 4.556 -0.000 0.000 0.361 381 H C -0.604 174.743 175.328 0.032 0.000 1.169 381 H CA -0.212 55.827 56.048 -0.014 0.000 1.198 381 H CB 0.879 30.677 29.762 0.059 0.000 1.700 381 H HN 0.514 nan 8.280 nan 0.000 0.542 382 H N 0.054 119.210 119.070 0.143 0.000 3.043 382 H HA 0.706 5.262 4.556 -0.000 0.000 0.302 382 H C -0.595 174.790 175.328 0.094 0.000 1.506 382 H CA -0.827 55.251 56.048 0.049 0.000 1.282 382 H CB 0.312 30.055 29.762 -0.033 0.000 1.914 382 H HN 0.878 nan 8.280 nan 0.000 0.625 383 A N 0.453 123.449 122.820 0.294 0.000 2.466 383 A HA 0.319 4.639 4.320 -0.000 0.000 0.238 383 A C 0.070 177.805 177.584 0.252 0.000 1.074 383 A CA -0.439 51.705 52.037 0.177 0.000 0.774 383 A CB -0.631 18.389 19.000 0.033 0.000 1.015 383 A HN 0.573 nan 8.150 nan 0.000 0.498 384 I N 2.604 123.261 120.570 0.145 0.000 2.421 384 I HA 0.244 4.414 4.170 -0.000 0.000 0.291 384 I C 0.169 176.377 176.117 0.151 0.000 1.089 384 I CA 0.446 61.820 61.300 0.123 0.000 1.354 384 I CB -0.553 37.484 38.000 0.062 0.000 1.413 384 I HN 0.560 nan 8.210 nan 0.000 0.513 385 I N 4.845 125.516 120.570 0.168 0.000 3.145 385 I HA 0.731 4.901 4.170 -0.000 0.000 0.313 385 I C -2.842 173.288 176.117 0.022 0.000 1.122 385 I CA -2.946 58.405 61.300 0.085 0.000 0.987 385 I CB 1.868 39.939 38.000 0.119 0.000 1.236 385 I HN 0.121 nan 8.210 nan 0.000 0.453 386 P HA 0.173 nan 4.420 nan 0.000 0.272 386 P C -0.372 176.944 177.300 0.026 0.000 1.223 386 P CA -0.134 62.947 63.100 -0.033 0.000 0.784 386 P CB 0.615 32.250 31.700 -0.109 0.000 0.923 387 T N -1.692 112.938 114.554 0.128 0.000 2.810 387 T HA 0.475 4.825 4.350 -0.000 0.000 0.277 387 T C 0.946 175.704 174.700 0.097 0.000 0.973 387 T CA -0.291 61.875 62.100 0.110 0.000 0.949 387 T CB 0.411 69.353 68.868 0.124 0.000 1.075 387 T HN 0.281 nan 8.240 nan 0.000 0.537 388 A N -0.191 122.674 122.820 0.075 0.000 2.379 388 A HA 0.293 4.613 4.320 -0.000 0.000 0.236 388 A C 1.131 178.771 177.584 0.094 0.000 1.272 388 A CA -0.426 51.655 52.037 0.073 0.000 0.886 388 A CB -0.610 18.412 19.000 0.036 0.000 0.962 388 A HN 0.819 nan 8.150 nan 0.000 0.504 389 R N 0.997 121.565 120.500 0.115 0.000 2.484 389 R HA 0.136 4.475 4.340 -0.000 0.000 0.293 389 R C 0.844 177.294 176.300 0.249 0.000 1.023 389 R CA 0.915 57.091 56.100 0.126 0.000 1.037 389 R CB 0.389 30.735 30.300 0.077 0.000 0.951 389 R HN 0.331 nan 8.270 nan 0.000 0.418 390 S N 1.096 116.886 115.700 0.150 0.000 2.540 390 S HA 0.041 4.511 4.470 -0.000 0.000 0.222 390 S C 0.063 174.693 174.600 0.051 0.000 1.008 390 S CA -0.203 58.042 58.200 0.075 0.000 0.939 390 S CB 0.272 63.474 63.200 0.003 0.000 0.865 390 S HN 0.579 nan 8.310 nan 0.000 0.499 391 S N 2.233 117.996 115.700 0.105 0.000 2.560 391 S HA 0.617 5.087 4.470 -0.000 0.000 0.284 391 S C 0.345 175.026 174.600 0.134 0.000 1.327 391 S CA -0.380 57.865 58.200 0.075 0.000 1.055 391 S CB 0.602 63.831 63.200 0.049 0.000 0.868 391 S HN 0.684 nan 8.310 nan 0.000 0.506 392 A N 2.930 125.783 122.820 0.053 0.000 2.401 392 A HA 0.648 4.968 4.320 -0.000 0.000 0.259 392 A C -0.065 177.538 177.584 0.031 0.000 1.103 392 A CA -0.572 51.491 52.037 0.042 0.000 0.789 392 A CB -0.308 18.685 19.000 -0.010 0.000 1.035 392 A HN 0.843 nan 8.150 nan 0.000 0.491 393 I N 1.662 122.239 120.570 0.012 0.000 2.607 393 I HA 0.181 4.351 4.170 -0.000 0.000 0.290 393 I C -0.539 175.504 176.117 -0.122 0.000 1.129 393 I CA -0.723 60.528 61.300 -0.082 0.000 1.042 393 I CB 2.336 40.221 38.000 -0.190 0.000 1.242 393 I HN 0.662 nan 8.210 nan 0.000 0.421 394 N N 6.783 125.413 118.700 -0.116 0.000 2.402 394 N HA 0.386 5.126 4.740 -0.000 0.000 0.252 394 N C -1.178 174.228 175.510 -0.174 0.000 1.118 394 N CA 0.052 53.036 53.050 -0.109 0.000 0.945 394 N CB 0.393 38.844 38.487 -0.060 0.000 1.147 394 N HN 0.451 nan 8.380 nan 0.000 0.495 395 L N 1.667 122.778 121.223 -0.187 0.000 2.343 395 L HA 0.422 4.762 4.340 -0.000 0.000 0.275 395 L C 1.257 178.063 176.870 -0.108 0.000 1.056 395 L CA -0.981 53.735 54.840 -0.207 0.000 0.804 395 L CB 1.205 43.133 42.059 -0.219 0.000 1.203 395 L HN 0.504 nan 8.230 nan 0.000 0.440 396 T N -2.726 111.783 114.554 -0.076 0.000 2.802 396 T HA 0.005 4.355 4.350 -0.000 0.000 0.305 396 T C 0.956 175.621 174.700 -0.059 0.000 1.053 396 T CA -0.384 61.687 62.100 -0.049 0.000 1.058 396 T CB 1.051 69.903 68.868 -0.026 0.000 0.988 396 T HN 0.779 nan 8.240 nan 0.000 0.539 397 E N 0.680 120.847 120.200 -0.056 0.000 2.097 397 E HA -0.248 4.102 4.350 -0.000 0.000 0.196 397 E C 1.687 178.219 176.600 -0.112 0.000 1.000 397 E CA 1.444 57.800 56.400 -0.074 0.000 0.804 397 E CB -0.076 29.587 29.700 -0.062 0.000 0.740 397 E HN 0.622 nan 8.360 nan 0.000 0.454 398 N N 0.486 119.127 118.700 -0.097 0.000 2.207 398 N HA -0.101 4.639 4.740 -0.000 0.000 0.182 398 N C 1.516 176.974 175.510 -0.086 0.000 1.020 398 N CA 0.899 53.879 53.050 -0.117 0.000 0.858 398 N CB -0.164 38.279 38.487 -0.074 0.000 0.991 398 N HN 0.256 nan 8.380 nan 0.000 0.427 399 E N 0.681 120.854 120.200 -0.045 0.000 2.085 399 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 399 E C 1.806 178.406 176.600 0.001 0.000 0.994 399 E CA 1.256 57.650 56.400 -0.010 0.000 0.801 399 E CB -0.050 29.639 29.700 -0.019 0.000 0.743 399 E HN 0.356 nan 8.360 nan 0.000 0.453 400 A N 1.151 123.949 122.820 -0.037 0.000 1.929 400 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 400 A C 1.917 179.500 177.584 -0.001 0.000 1.176 400 A CA 1.206 53.242 52.037 -0.001 0.000 0.628 400 A CB -0.184 18.796 19.000 -0.033 0.000 0.816 400 A HN 0.023 nan 8.150 nan 0.000 0.444 401 K N -0.454 119.856 120.400 -0.151 0.000 2.032 401 K HA -0.096 4.224 4.320 -0.000 0.000 0.209 401 K C 1.881 178.388 176.600 -0.155 0.000 1.048 401 K CA 1.599 57.670 56.287 -0.361 0.000 0.927 401 K CB -0.330 31.661 32.500 -0.849 0.000 0.712 401 K HN 0.292 nan 8.250 nan 0.000 0.441 402 V N 0.293 120.165 119.914 -0.070 0.000 2.379 402 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 402 V C 1.969 178.128 176.094 0.107 0.000 1.044 402 V CA 1.522 63.844 62.300 0.037 0.000 1.036 402 V CB -0.488 31.346 31.823 0.018 0.000 0.664 402 V HN 0.297 nan 8.190 nan 0.000 0.453 403 Y N 1.629 121.944 120.300 0.024 0.000 2.224 403 Y HA -0.264 4.286 4.550 -0.000 0.000 0.289 403 Y C 2.341 178.301 175.900 0.101 0.000 1.146 403 Y CA 2.225 60.358 58.100 0.055 0.000 1.182 403 Y CB -0.319 38.154 38.460 0.022 0.000 0.983 403 Y HN 0.315 nan 8.280 nan 0.000 0.524 404 N N 0.024 118.829 118.700 0.176 0.000 2.120 404 N HA -0.180 4.560 4.740 -0.000 0.000 0.188 404 N C 1.832 177.421 175.510 0.132 0.000 1.024 404 N CA 1.491 54.629 53.050 0.145 0.000 0.852 404 N CB -0.368 38.230 38.487 0.184 0.000 1.003 404 N HN 0.355 nan 8.380 nan 0.000 0.424 405 L N 0.361 121.705 121.223 0.202 0.000 1.989 405 L HA -0.203 4.136 4.340 -0.000 0.000 0.211 405 L C 1.959 179.035 176.870 0.343 0.000 1.071 405 L CA 1.208 56.239 54.840 0.317 0.000 0.749 405 L CB -0.480 41.776 42.059 0.329 0.000 0.890 405 L HN 0.240 nan 8.230 nan 0.000 0.431 406 I N -0.391 120.313 120.570 0.222 0.000 2.127 406 I HA -0.328 3.842 4.170 -0.000 0.000 0.241 406 I C 2.792 178.911 176.117 0.003 0.000 1.075 406 I CA 1.366 62.768 61.300 0.170 0.000 1.334 406 I CB -0.542 37.474 38.000 0.027 0.000 1.040 406 I HN 0.242 nan 8.210 nan 0.000 0.405 407 A N 0.628 123.335 122.820 -0.188 0.000 1.877 407 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 407 A C 2.472 180.111 177.584 0.093 0.000 1.186 407 A CA 1.809 53.765 52.037 -0.136 0.000 0.620 407 A CB -0.682 18.146 19.000 -0.287 0.000 0.822 407 A HN 0.354 nan 8.150 nan 0.000 0.443 408 R N -0.892 119.665 120.500 0.095 0.000 2.096 408 R HA -0.199 4.141 4.340 -0.000 0.000 0.235 408 R C 2.348 178.694 176.300 0.077 0.000 1.127 408 R CA 1.858 58.034 56.100 0.126 0.000 0.968 408 R CB -0.239 30.147 30.300 0.143 0.000 0.861 408 R HN 0.580 nan 8.270 nan 0.000 0.440 409 Q N -0.637 119.156 119.800 -0.011 0.000 2.124 409 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 409 Q C 1.662 177.566 176.000 -0.161 0.000 0.977 409 Q CA 1.757 57.420 55.803 -0.234 0.000 0.850 409 Q CB -0.344 27.963 28.738 -0.717 0.000 0.901 409 Q HN 0.492 nan 8.270 nan 0.000 0.429 410 Y N -0.120 120.098 120.300 -0.137 0.000 2.181 410 Y HA -0.164 4.386 4.550 -0.000 0.000 0.288 410 Y C 1.486 177.424 175.900 0.065 0.000 1.146 410 Y CA 1.585 59.649 58.100 -0.060 0.000 1.164 410 Y CB -0.033 38.450 38.460 0.037 0.000 0.982 410 Y HN 0.115 nan 8.280 nan 0.000 0.515 411 L N -0.535 120.817 121.223 0.216 0.000 2.141 411 L HA -0.241 4.099 4.340 -0.000 0.000 0.209 411 L C 2.443 179.402 176.870 0.148 0.000 1.094 411 L CA 1.221 56.224 54.840 0.272 0.000 0.763 411 L CB -0.504 41.718 42.059 0.270 0.000 0.908 411 L HN 0.322 nan 8.230 nan 0.000 0.437 412 M N -0.737 118.880 119.600 0.029 0.000 2.260 412 M HA -0.232 4.248 4.480 -0.000 0.000 0.261 412 M C 2.107 178.312 176.300 -0.157 0.000 1.066 412 M CA 1.426 56.721 55.300 -0.008 0.000 1.082 412 M CB -0.257 32.298 32.600 -0.075 0.000 1.388 412 M HN 0.266 nan 8.290 nan 0.000 0.419 413 Q N -0.602 118.967 119.800 -0.386 0.000 2.364 413 Q HA -0.057 4.283 4.340 -0.000 0.000 0.207 413 Q C 1.073 176.715 176.000 -0.597 0.000 0.970 413 Q CA 1.237 56.676 55.803 -0.608 0.000 0.888 413 Q CB -0.251 27.941 28.738 -0.910 0.000 0.951 413 Q HN 0.545 nan 8.270 nan 0.000 0.469 414 F N -1.153 118.811 119.950 0.024 0.000 2.641 414 F HA 0.162 4.689 4.527 -0.000 0.000 0.302 414 F C 0.531 176.382 175.800 0.085 0.000 1.098 414 F CA -0.714 57.336 58.000 0.084 0.000 1.318 414 F CB 0.255 39.299 39.000 0.074 0.000 1.035 414 F HN -0.163 nan 8.300 nan 0.000 0.551 415 C N 1.819 121.223 119.300 0.173 0.000 2.358 415 C HA 0.502 4.962 4.460 -0.000 0.000 0.342 415 C C -1.696 173.391 174.990 0.162 0.000 1.234 415 C CA -1.565 57.563 59.018 0.183 0.000 1.969 415 C CB 1.094 28.971 27.740 0.228 0.000 2.346 415 C HN 0.090 nan 8.230 nan 0.000 0.525 416 P HA 0.106 nan 4.420 nan 0.000 0.271 416 P C -0.539 176.882 177.300 0.201 0.000 1.238 416 P CA -0.025 63.156 63.100 0.134 0.000 0.794 416 P CB 0.408 32.167 31.700 0.098 0.000 0.959 417 D N -0.630 119.877 120.400 0.179 0.000 2.382 417 D HA 0.239 4.879 4.640 -0.000 0.000 0.240 417 D C 0.186 176.619 176.300 0.222 0.000 1.146 417 D CA 0.240 54.395 54.000 0.257 0.000 0.897 417 D CB 0.160 41.063 40.800 0.171 0.000 1.197 417 D HN 0.292 nan 8.370 nan 0.000 0.432 418 A N 1.531 124.520 122.820 0.282 0.000 2.454 418 A HA 0.376 4.696 4.320 -0.000 0.000 0.260 418 A C -0.174 177.445 177.584 0.058 0.000 1.106 418 A CA -0.429 51.610 52.037 0.003 0.000 0.780 418 A CB 0.328 19.270 19.000 -0.097 0.000 1.044 418 A HN 0.310 nan 8.150 nan 0.000 0.498 419 V N 3.518 123.375 119.914 -0.096 0.000 2.417 419 V HA 0.459 4.579 4.120 -0.000 0.000 0.291 419 V C -0.699 175.297 176.094 -0.164 0.000 1.024 419 V CA -0.193 62.099 62.300 -0.015 0.000 0.861 419 V CB 0.776 32.603 31.823 0.006 0.000 0.985 419 V HN 0.708 nan 8.190 nan 0.000 0.436 420 F N 3.642 123.605 119.950 0.021 0.000 2.458 420 F HA 0.651 5.178 4.527 -0.000 0.000 0.330 420 F C 0.592 176.406 175.800 0.023 0.000 1.082 420 F CA -0.780 57.231 58.000 0.020 0.000 0.995 420 F CB 1.518 40.518 39.000 0.000 0.000 1.170 420 F HN 0.190 nan 8.300 nan 0.000 0.478 421 R N 2.497 123.122 120.500 0.209 0.000 2.265 421 R HA 0.251 4.591 4.340 -0.000 0.000 0.328 421 R C -0.677 175.698 176.300 0.124 0.000 0.969 421 R CA -0.608 55.575 56.100 0.140 0.000 0.832 421 R CB 1.461 31.829 30.300 0.115 0.000 1.139 421 R HN 0.624 nan 8.270 nan 0.000 0.457 422 K N 2.844 123.279 120.400 0.058 0.000 2.263 422 K HA 0.214 4.534 4.320 -0.000 0.000 0.272 422 K C -0.912 175.654 176.600 -0.056 0.000 1.033 422 K CA -0.342 55.944 56.287 -0.002 0.000 0.884 422 K CB 1.005 33.487 32.500 -0.030 0.000 1.107 422 K HN 0.519 nan 8.250 nan 0.000 0.460 423 C N 4.788 124.048 119.300 -0.066 0.000 2.329 423 C HA 0.661 5.121 4.460 -0.000 0.000 0.329 423 C C -0.813 174.080 174.990 -0.162 0.000 1.275 423 C CA -0.388 58.532 59.018 -0.162 0.000 1.726 423 C CB 0.371 28.047 27.740 -0.105 0.000 2.291 423 C HN 0.589 nan 8.230 nan 0.000 0.514 424 V N 7.673 127.445 119.914 -0.237 0.000 2.525 424 V HA 0.487 4.607 4.120 -0.000 0.000 0.299 424 V C -0.416 175.595 176.094 -0.139 0.000 1.034 424 V CA -0.234 61.981 62.300 -0.141 0.000 0.863 424 V CB 1.557 33.322 31.823 -0.096 0.000 0.999 424 V HN 0.754 nan 8.190 nan 0.000 0.423 425 I N 3.890 124.442 120.570 -0.030 0.000 2.389 425 I HA 0.495 4.665 4.170 -0.000 0.000 0.288 425 I C -0.015 176.179 176.117 0.128 0.000 0.999 425 I CA -0.408 60.934 61.300 0.070 0.000 1.129 425 I CB 1.814 39.866 38.000 0.086 0.000 1.288 425 I HN 0.569 nan 8.210 nan 0.000 0.444 426 E N 6.926 127.206 120.200 0.132 0.000 2.166 426 E HA 0.695 5.045 4.350 -0.000 0.000 0.275 426 E C -1.229 175.478 176.600 0.179 0.000 0.941 426 E CA -0.697 55.792 56.400 0.148 0.000 0.784 426 E CB 2.429 32.192 29.700 0.104 0.000 1.115 426 E HN 0.408 nan 8.360 nan 0.000 0.399 427 L N 2.184 123.541 121.223 0.223 0.000 2.401 427 L HA 0.399 4.739 4.340 -0.000 0.000 0.266 427 L C -0.951 176.066 176.870 0.246 0.000 0.991 427 L CA -0.999 53.970 54.840 0.216 0.000 0.818 427 L CB 2.086 44.271 42.059 0.211 0.000 1.321 427 L HN 0.359 nan 8.230 nan 0.000 0.413 428 D N 3.041 123.547 120.400 0.177 0.000 2.373 428 D HA 0.545 5.185 4.640 -0.000 0.000 0.227 428 D C -0.654 175.720 176.300 0.122 0.000 1.091 428 D CA 0.184 54.293 54.000 0.182 0.000 0.840 428 D CB 1.363 42.240 40.800 0.127 0.000 1.060 428 D HN 0.235 nan 8.370 nan 0.000 0.502 429 I N 1.599 122.260 120.570 0.151 0.000 2.420 429 I HA 0.398 4.568 4.170 -0.000 0.000 0.282 429 I C 0.432 176.585 176.117 0.060 0.000 1.019 429 I CA -0.903 60.386 61.300 -0.018 0.000 1.130 429 I CB 1.589 39.363 38.000 -0.377 0.000 1.262 429 I HN 0.460 nan 8.210 nan 0.000 0.454 430 A N 5.138 127.978 122.820 0.033 0.000 2.791 430 A HA -0.271 4.049 4.320 -0.000 0.000 0.292 430 A C 1.177 178.812 177.584 0.084 0.000 1.487 430 A CA 1.382 53.445 52.037 0.043 0.000 0.760 430 A CB -1.798 17.213 19.000 0.018 0.000 1.031 430 A HN 0.979 nan 8.150 nan 0.000 0.503 431 K N -3.896 116.565 120.400 0.101 0.000 3.584 431 K HA -0.226 4.094 4.320 -0.000 0.000 0.300 431 K C 0.919 177.622 176.600 0.171 0.000 1.285 431 K CA 1.677 58.033 56.287 0.116 0.000 1.008 431 K CB -1.847 30.705 32.500 0.086 0.000 1.271 431 K HN 1.975 nan 8.250 nan 0.000 0.447 432 G N 1.152 110.096 108.800 0.239 0.000 2.507 432 G HA2 0.415 4.375 3.960 -0.000 0.000 0.271 432 G HA3 0.415 4.375 3.960 -0.000 0.000 0.271 432 G C -0.722 174.436 174.900 0.429 0.000 1.189 432 G CA -0.467 44.843 45.100 0.349 0.000 0.859 432 G HN 0.014 nan 8.290 nan 0.000 0.542 433 K N 0.033 120.624 120.400 0.319 0.000 2.185 433 K HA 0.526 4.845 4.320 -0.000 0.000 0.269 433 K C -1.371 175.266 176.600 0.061 0.000 0.987 433 K CA -0.204 56.220 56.287 0.230 0.000 0.865 433 K CB 1.501 34.060 32.500 0.099 0.000 1.090 433 K HN 0.323 nan 8.250 nan 0.000 0.450 434 F N 1.023 121.084 119.950 0.185 0.000 2.588 434 F HA 0.475 5.002 4.527 -0.000 0.000 0.310 434 F C -0.634 175.247 175.800 0.136 0.000 1.082 434 F CA -0.959 57.150 58.000 0.181 0.000 0.929 434 F CB 1.937 41.040 39.000 0.171 0.000 1.254 434 F HN 0.038 nan 8.300 nan 0.000 0.455 435 V N 2.145 122.223 119.914 0.275 0.000 2.623 435 V HA 0.815 4.935 4.120 -0.000 0.000 0.304 435 V C -0.717 175.496 176.094 0.198 0.000 1.054 435 V CA -0.910 61.501 62.300 0.186 0.000 0.882 435 V CB 1.639 33.514 31.823 0.087 0.000 1.002 435 V HN 0.913 nan 8.190 nan 0.000 0.424 436 A N 5.271 128.210 122.820 0.198 0.000 2.337 436 A HA 0.963 5.283 4.320 -0.000 0.000 0.329 436 A C -0.418 177.208 177.584 0.071 0.000 1.146 436 A CA -0.663 51.483 52.037 0.182 0.000 0.800 436 A CB 1.158 20.337 19.000 0.298 0.000 1.220 436 A HN 0.880 nan 8.150 nan 0.000 0.472 437 K N 0.787 121.216 120.400 0.048 0.000 2.523 437 K HA 0.811 5.130 4.320 -0.000 0.000 0.257 437 K C -1.056 175.535 176.600 -0.016 0.000 0.932 437 K CA -0.615 55.668 56.287 -0.006 0.000 0.812 437 K CB 2.291 34.776 32.500 -0.025 0.000 1.326 437 K HN 0.987 nan 8.250 nan 0.000 0.433 438 A N 2.094 124.892 122.820 -0.037 0.000 2.475 438 A HA 0.743 5.063 4.320 -0.000 0.000 0.301 438 A C -1.385 176.107 177.584 -0.154 0.000 1.059 438 A CA -0.921 51.064 52.037 -0.086 0.000 0.710 438 A CB 1.930 21.003 19.000 0.122 0.000 1.288 438 A HN 0.770 nan 8.150 nan 0.000 0.408 439 R N 1.047 121.316 120.500 -0.386 0.000 2.502 439 R HA 0.668 5.008 4.340 -0.000 0.000 0.300 439 R C -2.135 173.892 176.300 -0.455 0.000 0.984 439 R CA -0.225 55.724 56.100 -0.251 0.000 0.882 439 R CB 1.006 31.193 30.300 -0.188 0.000 1.180 439 R HN 0.632 nan 8.270 nan 0.000 0.444 440 F N 3.428 123.482 119.950 0.174 0.000 2.565 440 F HA 0.346 4.873 4.527 -0.000 0.000 0.313 440 F C -0.448 175.385 175.800 0.055 0.000 1.091 440 F CA -1.125 56.953 58.000 0.130 0.000 0.915 440 F CB 1.736 40.763 39.000 0.045 0.000 1.208 440 F HN 0.267 nan 8.300 nan 0.000 0.453 441 L N 3.096 124.358 121.223 0.065 0.000 2.433 441 L HA 0.398 4.738 4.340 -0.000 0.000 0.275 441 L C 0.583 177.331 176.870 -0.204 0.000 1.128 441 L CA 0.562 55.136 54.840 -0.444 0.000 0.875 441 L CB 0.618 42.365 42.059 -0.519 0.000 1.171 441 L HN 0.820 nan 8.230 nan 0.000 0.463 442 A N 4.167 126.859 122.820 -0.214 0.000 1.963 442 A HA 0.244 4.564 4.320 -0.000 0.000 0.207 442 A C 0.507 178.015 177.584 -0.126 0.000 1.243 442 A CA 0.211 52.183 52.037 -0.107 0.000 0.728 442 A CB 0.000 18.973 19.000 -0.045 0.000 0.895 442 A HN 0.705 nan 8.150 nan 0.000 0.467 443 E N -0.713 119.384 120.200 -0.173 0.000 2.216 443 E HA 0.565 4.915 4.350 -0.000 0.000 0.260 443 E C 0.443 176.911 176.600 -0.219 0.000 0.880 443 E CA 0.024 56.339 56.400 -0.143 0.000 0.765 443 E CB 1.821 31.475 29.700 -0.078 0.000 1.174 443 E HN 0.287 nan 8.360 nan 0.000 0.417 444 A N 3.578 126.273 122.820 -0.209 0.000 1.902 444 A HA 0.050 4.370 4.320 -0.000 0.000 0.217 444 A C 1.587 178.999 177.584 -0.288 0.000 1.181 444 A CA 1.658 53.528 52.037 -0.278 0.000 0.623 444 A CB -1.064 17.810 19.000 -0.209 0.000 0.818 444 A HN 0.935 nan 8.150 nan 0.000 0.443 445 G N -0.580 108.136 108.800 -0.139 0.000 2.629 445 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.313 445 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.313 445 G C 1.044 175.937 174.900 -0.013 0.000 1.217 445 G CA 1.222 46.305 45.100 -0.029 0.000 0.994 445 G HN 1.273 nan 8.290 nan 0.000 0.549 446 W N 1.686 122.986 121.300 0.001 0.000 2.595 446 W HA 0.144 4.804 4.660 -0.000 0.000 0.257 446 W C 2.044 178.567 176.519 0.006 0.000 1.267 446 W CA 0.920 58.267 57.345 0.003 0.000 1.300 446 W CB -0.625 28.826 29.460 -0.015 0.000 1.120 446 W HN 0.474 nan 8.180 nan 0.000 0.618 447 R N 0.685 120.666 120.500 -0.865 0.000 2.235 447 R HA -0.034 4.306 4.340 -0.000 0.000 0.213 447 R C 2.163 178.272 176.300 -0.319 0.000 1.059 447 R CA 1.561 57.160 56.100 -0.835 0.000 0.997 447 R CB -0.586 29.150 30.300 -0.940 0.000 0.884 447 R HN 0.070 nan 8.270 nan 0.000 0.462 448 T N 1.557 115.991 114.554 -0.200 0.000 2.778 448 T HA -0.121 4.229 4.350 -0.000 0.000 0.269 448 T C 1.458 176.145 174.700 -0.020 0.000 1.050 448 T CA 1.063 63.113 62.100 -0.084 0.000 1.137 448 T CB -0.067 68.777 68.868 -0.039 0.000 0.860 448 T HN 0.047 nan 8.240 nan 0.000 0.468 449 L N 0.045 121.283 121.223 0.024 0.000 2.552 449 L HA 0.267 4.607 4.340 -0.000 0.000 0.227 449 L C 0.821 177.737 176.870 0.077 0.000 1.146 449 L CA 0.634 55.523 54.840 0.080 0.000 0.858 449 L CB -0.877 41.268 42.059 0.142 0.000 0.969 449 L HN 0.255 nan 8.230 nan 0.000 0.451 450 L N -1.080 120.163 121.223 0.032 0.000 2.453 450 L HA 0.337 4.677 4.340 -0.000 0.000 0.261 450 L C 1.250 178.135 176.870 0.025 0.000 1.179 450 L CA -0.297 54.563 54.840 0.034 0.000 0.813 450 L CB 0.241 42.290 42.059 -0.018 0.000 1.110 450 L HN 0.145 nan 8.230 nan 0.000 0.466 451 G N 0.302 109.123 108.800 0.036 0.000 2.653 451 G HA2 0.195 4.155 3.960 -0.000 0.000 0.265 451 G HA3 0.195 4.155 3.960 -0.000 0.000 0.265 451 G C 0.848 175.758 174.900 0.016 0.000 1.237 451 G CA 0.026 45.146 45.100 0.033 0.000 0.946 451 G HN 0.738 nan 8.290 nan 0.000 0.522 452 S N -0.191 115.521 115.700 0.020 0.000 2.264 452 S HA -0.323 4.147 4.470 -0.000 0.000 0.361 452 S C 1.973 176.577 174.600 0.006 0.000 1.089 452 S CA 2.244 60.453 58.200 0.014 0.000 1.906 452 S CB -0.405 62.806 63.200 0.019 0.000 1.538 452 S HN 0.657 nan 8.310 nan 0.000 0.491 453 K N 0.667 121.071 120.400 0.007 0.000 2.367 453 K HA 0.090 4.410 4.320 -0.000 0.000 0.195 453 K C 2.051 178.654 176.600 0.005 0.000 1.060 453 K CA 0.443 56.735 56.287 0.008 0.000 1.022 453 K CB 0.207 32.716 32.500 0.015 0.000 0.894 453 K HN 0.603 nan 8.250 nan 0.000 0.540 454 E N 0.682 120.883 120.200 0.002 0.000 2.333 454 E HA -0.245 4.105 4.350 -0.000 0.000 0.198 454 E C 1.816 178.403 176.600 -0.022 0.000 1.007 454 E CA 0.730 57.131 56.400 0.002 0.000 0.845 454 E CB -0.115 29.591 29.700 0.011 0.000 0.766 454 E HN 0.136 nan 8.360 nan 0.000 0.507 455 R N 0.968 121.440 120.500 -0.047 0.000 2.096 455 R HA -0.128 4.211 4.340 -0.000 0.000 0.235 455 R C 0.743 176.998 176.300 -0.075 0.000 1.127 455 R CA 1.822 57.860 56.100 -0.103 0.000 0.968 455 R CB 0.127 30.366 30.300 -0.102 0.000 0.861 455 R HN 0.139 nan 8.270 nan 0.000 0.440 456 D N -0.051 120.338 120.400 -0.019 0.000 2.395 456 D HA 0.001 4.641 4.640 -0.000 0.000 0.213 456 D C 0.717 177.054 176.300 0.062 0.000 1.110 456 D CA 0.039 54.053 54.000 0.024 0.000 0.835 456 D CB 0.535 41.354 40.800 0.032 0.000 0.965 456 D HN 0.164 nan 8.370 nan 0.000 0.505 457 E N 0.727 120.955 120.200 0.046 0.000 2.472 457 E HA -0.102 4.248 4.350 -0.000 0.000 0.200 457 E C 1.177 177.804 176.600 0.044 0.000 1.046 457 E CA 0.387 56.813 56.400 0.043 0.000 0.871 457 E CB 0.145 29.863 29.700 0.029 0.000 0.806 457 E HN 0.455 nan 8.360 nan 0.000 0.533 458 E N 0.453 120.706 120.200 0.087 0.000 2.463 458 E HA 0.009 4.359 4.350 -0.000 0.000 0.193 458 E C -0.418 176.205 176.600 0.038 0.000 1.041 458 E CA -0.230 56.202 56.400 0.054 0.000 0.879 458 E CB 0.247 29.991 29.700 0.072 0.000 0.997 458 E HN 0.048 nan 8.360 nan 0.000 0.478 459 N N 1.909 120.640 118.700 0.052 0.000 2.475 459 N HA 0.058 4.798 4.740 -0.000 0.000 0.267 459 N C -1.077 174.293 175.510 -0.233 0.000 1.169 459 N CA 0.460 53.451 53.050 -0.099 0.000 0.947 459 N CB 0.717 39.269 38.487 0.107 0.000 1.061 459 N HN 0.002 nan 8.380 nan 0.000 0.466 460 D N 0.885 120.998 120.400 -0.479 0.000 2.505 460 D HA 0.563 5.203 4.640 -0.000 0.000 0.249 460 D C 1.090 177.169 176.300 -0.367 0.000 1.082 460 D CA -0.144 53.665 54.000 -0.318 0.000 0.839 460 D CB 1.784 42.446 40.800 -0.229 0.000 1.317 460 D HN 0.582 nan 8.370 nan 0.000 0.497 461 G N 1.947 110.679 108.800 -0.114 0.000 2.593 461 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.237 461 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.237 461 G C -0.140 174.898 174.900 0.230 0.000 1.312 461 G CA 0.033 45.151 45.100 0.030 0.000 0.896 461 G HN 0.819 nan 8.290 nan 0.000 0.574 462 T N -1.107 113.633 114.554 0.309 0.000 2.908 462 T HA 0.721 5.071 4.350 -0.000 0.000 0.290 462 T C -2.930 172.023 174.700 0.422 0.000 1.034 462 T CA -1.283 61.056 62.100 0.399 0.000 1.010 462 T CB 2.333 71.332 68.868 0.219 0.000 1.068 462 T HN 0.560 nan 8.240 nan 0.000 0.481 463 P HA 0.246 nan 4.420 nan 0.000 0.265 463 P C -0.728 176.625 177.300 0.087 0.000 1.193 463 P CA -0.226 62.928 63.100 0.090 0.000 0.765 463 P CB 0.289 31.849 31.700 -0.233 0.000 0.823 464 L N 5.313 126.573 121.223 0.061 0.000 2.322 464 L HA 0.466 4.806 4.340 -0.000 0.000 0.279 464 L C -1.597 175.235 176.870 -0.062 0.000 1.036 464 L CA -2.211 52.575 54.840 -0.091 0.000 0.807 464 L CB 0.881 42.831 42.059 -0.181 0.000 1.226 464 L HN 0.283 nan 8.230 nan 0.000 0.433 465 P HA 0.053 nan 4.420 nan 0.000 0.271 465 P C -0.666 176.621 177.300 -0.022 0.000 1.233 465 P CA -0.345 62.729 63.100 -0.043 0.000 0.789 465 P CB 0.848 32.541 31.700 -0.011 0.000 0.951 466 V N 2.142 122.014 119.914 -0.069 0.000 2.368 466 V HA 0.209 4.329 4.120 -0.000 0.000 0.266 466 V C 0.773 176.645 176.094 -0.370 0.000 1.045 466 V CA -0.160 61.982 62.300 -0.262 0.000 0.899 466 V CB 0.669 32.383 31.823 -0.182 0.000 1.006 466 V HN 0.458 nan 8.190 nan 0.000 0.470 467 V N 2.828 122.363 119.914 -0.632 0.000 3.113 467 V HA 1.080 5.200 4.120 -0.000 0.000 0.316 467 V C -0.097 175.717 176.094 -0.468 0.000 1.125 467 V CA -0.774 61.308 62.300 -0.363 0.000 1.026 467 V CB 1.981 33.748 31.823 -0.094 0.000 1.080 467 V HN 0.893 nan 8.190 nan 0.000 0.444 468 A N 1.070 123.778 122.820 -0.186 0.000 2.386 468 A HA 0.709 5.029 4.320 -0.000 0.000 0.308 468 A C -0.220 177.368 177.584 0.006 0.000 1.128 468 A CA -1.028 50.953 52.037 -0.092 0.000 0.789 468 A CB 1.425 20.380 19.000 -0.076 0.000 1.325 468 A HN 1.030 nan 8.150 nan 0.000 0.437 469 K N 0.059 120.485 120.400 0.044 0.000 2.484 469 K HA 0.315 4.635 4.320 -0.000 0.000 0.280 469 K C 1.077 177.701 176.600 0.040 0.000 1.013 469 K CA 1.487 57.809 56.287 0.058 0.000 1.029 469 K CB -0.082 32.455 32.500 0.061 0.000 0.902 469 K HN 1.799 nan 8.250 nan 0.000 0.481 470 G N 3.266 112.094 108.800 0.046 0.000 2.175 470 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.244 470 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.244 470 G C -0.538 174.380 174.900 0.031 0.000 0.982 470 G CA 0.084 45.206 45.100 0.037 0.000 0.641 470 G HN 0.716 nan 8.290 nan 0.000 0.527 471 D N 0.897 121.317 120.400 0.034 0.000 2.383 471 D HA 0.428 5.068 4.640 -0.000 0.000 0.252 471 D C 0.465 176.789 176.300 0.039 0.000 1.166 471 D CA 0.121 54.138 54.000 0.029 0.000 0.879 471 D CB 1.068 41.883 40.800 0.024 0.000 1.164 471 D HN 0.470 nan 8.370 nan 0.000 0.462 472 E N 3.017 123.234 120.200 0.028 0.000 2.105 472 E HA 0.282 4.632 4.350 -0.000 0.000 0.285 472 E C -0.572 176.042 176.600 0.024 0.000 1.055 472 E CA -0.390 56.024 56.400 0.024 0.000 0.843 472 E CB 0.314 30.022 29.700 0.014 0.000 1.067 472 E HN 0.372 nan 8.360 nan 0.000 0.398 473 L N 3.378 124.617 121.223 0.027 0.000 2.341 473 L HA 0.610 4.950 4.340 -0.000 0.000 0.267 473 L C -0.716 176.141 176.870 -0.022 0.000 1.022 473 L CA -1.472 53.380 54.840 0.020 0.000 0.844 473 L CB 0.731 42.826 42.059 0.060 0.000 1.436 473 L HN 0.471 nan 8.230 nan 0.000 0.483 474 L N 0.204 121.397 121.223 -0.051 0.000 2.385 474 L HA 0.447 4.787 4.340 -0.000 0.000 0.273 474 L C -0.931 175.867 176.870 -0.119 0.000 0.990 474 L CA -0.207 54.590 54.840 -0.073 0.000 0.821 474 L CB 1.671 43.698 42.059 -0.053 0.000 1.279 474 L HN 0.645 nan 8.230 nan 0.000 0.412 475 C N 4.851 124.074 119.300 -0.129 0.000 2.168 475 C HA 0.351 4.811 4.460 -0.000 0.000 0.333 475 C C 1.421 176.345 174.990 -0.110 0.000 1.106 475 C CA -0.328 58.595 59.018 -0.158 0.000 1.574 475 C CB -1.000 26.612 27.740 -0.214 0.000 2.055 475 C HN 1.054 nan 8.230 nan 0.000 0.473 476 E N 2.724 122.871 120.200 -0.088 0.000 2.051 476 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 476 E C 0.513 177.072 176.600 -0.067 0.000 0.991 476 E CA 1.135 57.494 56.400 -0.068 0.000 0.799 476 E CB 0.197 29.860 29.700 -0.061 0.000 0.748 476 E HN 0.837 nan 8.360 nan 0.000 0.449 477 K N -1.076 119.295 120.400 -0.048 0.000 2.575 477 K HA 0.552 4.872 4.320 -0.000 0.000 0.279 477 K C -0.651 175.967 176.600 0.030 0.000 0.969 477 K CA -0.824 55.439 56.287 -0.040 0.000 0.868 477 K CB 1.722 34.170 32.500 -0.087 0.000 1.457 477 K HN 0.018 nan 8.250 nan 0.000 0.426 478 G N 0.441 109.251 108.800 0.017 0.000 2.509 478 G HA2 0.626 4.586 3.960 -0.000 0.000 0.328 478 G HA3 0.626 4.586 3.960 -0.000 0.000 0.328 478 G C -1.304 173.650 174.900 0.091 0.000 1.194 478 G CA -0.687 44.453 45.100 0.067 0.000 0.967 478 G HN 0.813 nan 8.290 nan 0.000 0.488 479 E N -1.416 118.860 120.200 0.127 0.000 2.390 479 E HA 0.523 4.873 4.350 -0.000 0.000 0.277 479 E C -1.622 175.040 176.600 0.103 0.000 0.939 479 E CA -0.945 55.519 56.400 0.107 0.000 0.769 479 E CB 2.026 31.822 29.700 0.159 0.000 1.251 479 E HN 0.286 nan 8.360 nan 0.000 0.450 480 V N 2.107 122.066 119.914 0.075 0.000 2.432 480 V HA 0.244 4.363 4.120 -0.000 0.000 0.275 480 V C -0.276 175.891 176.094 0.122 0.000 1.043 480 V CA -0.735 61.621 62.300 0.093 0.000 0.925 480 V CB 1.282 33.121 31.823 0.027 0.000 0.985 480 V HN 0.562 nan 8.190 nan 0.000 0.466 481 V N 5.193 125.198 119.914 0.153 0.000 2.348 481 V HA 0.282 4.402 4.120 -0.000 0.000 0.270 481 V C 0.304 176.465 176.094 0.112 0.000 1.037 481 V CA -0.549 61.815 62.300 0.107 0.000 0.872 481 V CB 0.998 32.865 31.823 0.075 0.000 1.002 481 V HN 0.898 nan 8.190 nan 0.000 0.464 482 E N 5.888 126.140 120.200 0.087 0.000 2.044 482 E HA 0.415 4.765 4.350 -0.000 0.000 0.282 482 E C -0.211 176.241 176.600 -0.246 0.000 1.031 482 E CA -0.307 56.116 56.400 0.039 0.000 0.824 482 E CB 1.130 30.941 29.700 0.185 0.000 1.076 482 E HN 0.563 nan 8.360 nan 0.000 0.395 483 R N 1.935 122.066 120.500 -0.614 0.000 2.875 483 R HA 0.440 4.780 4.340 -0.000 0.000 0.251 483 R C -0.317 175.512 176.300 -0.785 0.000 1.123 483 R CA -0.834 54.804 56.100 -0.771 0.000 1.064 483 R CB 1.571 31.129 30.300 -1.236 0.000 1.205 483 R HN 0.511 nan 8.270 nan 0.000 0.503 484 Q N -0.747 118.792 119.800 -0.434 0.000 2.353 484 Q HA 0.278 4.618 4.340 -0.000 0.000 0.275 484 Q C -1.138 175.015 176.000 0.256 0.000 1.029 484 Q CA -1.009 54.761 55.803 -0.054 0.000 0.848 484 Q CB 1.749 30.458 28.738 -0.049 0.000 1.390 484 Q HN 0.672 nan 8.270 nan 0.000 0.401 485 T N 0.054 114.837 114.554 0.381 0.000 2.900 485 T HA 0.314 4.664 4.350 -0.000 0.000 0.307 485 T C -0.118 174.788 174.700 0.344 0.000 1.065 485 T CA -0.205 62.109 62.100 0.358 0.000 1.105 485 T CB 0.952 70.027 68.868 0.346 0.000 0.979 485 T HN 0.632 nan 8.240 nan 0.000 0.544 486 Q N 1.671 121.560 119.800 0.148 0.000 2.394 486 Q HA 0.502 4.842 4.340 -0.000 0.000 0.273 486 Q C -2.456 173.107 176.000 -0.728 0.000 1.089 486 Q CA -2.301 53.438 55.803 -0.107 0.000 0.812 486 Q CB 2.285 30.974 28.738 -0.082 0.000 1.353 486 Q HN 0.580 nan 8.270 nan 0.000 0.438 487 P HA 0.184 nan 4.420 nan 0.000 0.272 487 P C -2.529 174.400 177.300 -0.618 0.000 1.240 487 P CA -1.061 61.346 63.100 -1.155 0.000 0.791 487 P CB -0.248 31.072 31.700 -0.633 0.000 0.978 488 P HA 0.290 nan 4.420 nan 0.000 0.273 488 P C -0.079 176.996 177.300 -0.375 0.000 1.250 488 P CA -0.281 62.596 63.100 -0.373 0.000 0.793 488 P CB 0.510 32.008 31.700 -0.336 0.000 1.011 489 R N 0.064 120.383 120.500 -0.301 0.000 2.560 489 R HA 0.276 4.616 4.340 -0.000 0.000 0.270 489 R C 0.716 176.809 176.300 -0.345 0.000 1.074 489 R CA -0.524 55.412 56.100 -0.274 0.000 1.140 489 R CB 0.163 30.426 30.300 -0.062 0.000 1.073 489 R HN 0.573 nan 8.270 nan 0.000 0.527 490 H N 0.917 119.839 119.070 -0.247 0.000 2.745 490 H HA -0.005 4.551 4.556 -0.000 0.000 0.373 490 H C 0.104 175.463 175.328 0.051 0.000 1.226 490 H CA 0.506 56.471 56.048 -0.139 0.000 1.435 490 H CB 0.377 30.060 29.762 -0.131 0.000 1.461 490 H HN 0.261 nan 8.280 nan 0.000 0.616 491 F N 0.742 120.827 119.950 0.225 0.000 2.506 491 F HA 0.002 4.529 4.527 -0.000 0.000 0.351 491 F C 1.460 177.389 175.800 0.215 0.000 1.136 491 F CA 0.071 58.176 58.000 0.175 0.000 1.298 491 F CB 0.584 39.635 39.000 0.085 0.000 1.145 491 F HN 0.432 nan 8.300 nan 0.000 0.593 492 T N -1.834 112.914 114.554 0.323 0.000 2.937 492 T HA 0.232 4.581 4.350 -0.000 0.000 0.283 492 T C 0.893 175.682 174.700 0.148 0.000 1.012 492 T CA -0.833 61.343 62.100 0.127 0.000 0.997 492 T CB 1.231 70.067 68.868 -0.054 0.000 1.136 492 T HN 0.531 nan 8.240 nan 0.000 0.551 493 D N 0.461 120.906 120.400 0.074 0.000 2.116 493 D HA -0.170 4.470 4.640 -0.000 0.000 0.193 493 D C 2.291 178.614 176.300 0.040 0.000 0.998 493 D CA 1.823 55.855 54.000 0.052 0.000 0.836 493 D CB -0.340 40.461 40.800 0.002 0.000 0.951 493 D HN 0.723 nan 8.370 nan 0.000 0.449 494 A N 0.538 123.375 122.820 0.029 0.000 1.902 494 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 494 A C 2.336 179.962 177.584 0.071 0.000 1.181 494 A CA 2.604 54.658 52.037 0.029 0.000 0.623 494 A CB -0.814 18.192 19.000 0.009 0.000 0.818 494 A HN 0.407 nan 8.150 nan 0.000 0.443 495 T N -2.780 111.855 114.554 0.135 0.000 3.043 495 T HA 0.038 4.388 4.350 -0.000 0.000 0.263 495 T C 1.669 176.542 174.700 0.289 0.000 1.094 495 T CA 1.137 63.376 62.100 0.232 0.000 1.127 495 T CB -0.209 68.822 68.868 0.272 0.000 0.905 495 T HN 0.134 nan 8.240 nan 0.000 0.490 496 L N 0.818 122.134 121.223 0.156 0.000 2.072 496 L HA 0.344 4.684 4.340 -0.000 0.000 0.205 496 L C 2.276 179.049 176.870 -0.161 0.000 1.079 496 L CA 1.317 56.028 54.840 -0.215 0.000 0.752 496 L CB -0.714 41.194 42.059 -0.252 0.000 0.906 496 L HN 0.246 nan 8.230 nan 0.000 0.436 497 L N -1.227 119.964 121.223 -0.053 0.000 2.131 497 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 497 L C 2.695 179.559 176.870 -0.011 0.000 1.092 497 L CA 1.425 56.243 54.840 -0.038 0.000 0.759 497 L CB -0.795 41.253 42.059 -0.019 0.000 0.903 497 L HN 0.367 nan 8.230 nan 0.000 0.435 498 S N -0.106 115.613 115.700 0.032 0.000 2.368 498 S HA -0.162 4.308 4.470 -0.000 0.000 0.224 498 S C 2.194 176.856 174.600 0.105 0.000 1.029 498 S CA 1.117 59.362 58.200 0.075 0.000 0.988 498 S CB -0.106 63.162 63.200 0.113 0.000 0.838 498 S HN 0.416 nan 8.310 nan 0.000 0.462 499 A N 1.490 124.360 122.820 0.084 0.000 1.940 499 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 499 A C 2.270 179.800 177.584 -0.089 0.000 1.176 499 A CA 1.753 53.790 52.037 -0.000 0.000 0.631 499 A CB -0.663 18.090 19.000 -0.412 0.000 0.814 499 A HN 0.659 nan 8.150 nan 0.000 0.446 500 M N -0.974 118.563 119.600 -0.105 0.000 2.200 500 M HA -0.097 4.382 4.480 -0.000 0.000 0.265 500 M C 2.111 178.407 176.300 -0.007 0.000 1.066 500 M CA 1.822 57.075 55.300 -0.078 0.000 1.127 500 M CB -0.513 32.039 32.600 -0.080 0.000 1.379 500 M HN 0.441 nan 8.290 nan 0.000 0.420 501 T N -0.353 114.213 114.554 0.020 0.000 2.812 501 T HA -0.015 4.335 4.350 -0.000 0.000 0.264 501 T C 1.407 176.147 174.700 0.067 0.000 1.042 501 T CA 1.353 63.476 62.100 0.039 0.000 1.140 501 T CB -0.414 68.476 68.868 0.037 0.000 0.870 501 T HN 0.544 nan 8.240 nan 0.000 0.445 502 G N 0.683 109.547 108.800 0.106 0.000 4.178 502 G HA2 0.364 4.324 3.960 -0.000 0.000 0.287 502 G HA3 0.364 4.324 3.960 -0.000 0.000 0.287 502 G C 0.806 175.839 174.900 0.221 0.000 1.293 502 G CA -0.409 44.776 45.100 0.140 0.000 1.393 502 G HN 0.272 nan 8.290 nan 0.000 0.623 503 I N 1.327 121.992 120.570 0.159 0.000 2.423 503 I HA -0.117 4.053 4.170 -0.000 0.000 0.254 503 I C 2.641 178.891 176.117 0.222 0.000 1.151 503 I CA 1.461 62.866 61.300 0.176 0.000 1.421 503 I CB 0.194 38.233 38.000 0.065 0.000 1.079 503 I HN 0.301 nan 8.210 nan 0.000 0.431 504 A N 0.064 122.972 122.820 0.146 0.000 1.930 504 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 504 A C 2.410 180.043 177.584 0.082 0.000 1.175 504 A CA 1.305 53.401 52.037 0.098 0.000 0.627 504 A CB -0.606 18.431 19.000 0.061 0.000 0.815 504 A HN 0.408 nan 8.150 nan 0.000 0.443 505 R N -1.830 118.712 120.500 0.070 0.000 2.211 505 R HA -0.139 4.201 4.340 -0.000 0.000 0.240 505 R C 0.776 176.946 176.300 -0.217 0.000 1.144 505 R CA 1.415 57.461 56.100 -0.090 0.000 0.992 505 R CB -0.333 29.864 30.300 -0.172 0.000 0.869 505 R HN 0.621 nan 8.270 nan 0.000 0.462 506 F N -0.664 119.300 119.950 0.024 0.000 2.695 506 F HA 0.115 4.642 4.527 -0.000 0.000 0.303 506 F C 0.639 176.449 175.800 0.016 0.000 1.091 506 F CA -0.279 57.739 58.000 0.029 0.000 1.300 506 F CB 0.505 39.532 39.000 0.046 0.000 1.071 506 F HN -0.311 nan 8.300 nan 0.000 0.578 507 V N 2.207 122.204 119.914 0.139 0.000 2.521 507 V HA -0.040 4.080 4.120 -0.000 0.000 0.286 507 V C 1.075 177.191 176.094 0.036 0.000 1.034 507 V CA 0.100 62.444 62.300 0.073 0.000 1.045 507 V CB 1.047 32.896 31.823 0.045 0.000 0.974 507 V HN 0.251 nan 8.190 nan 0.000 0.480 508 Q N 1.954 121.772 119.800 0.031 0.000 2.123 508 Q HA -0.023 4.317 4.340 -0.000 0.000 0.196 508 Q C 0.891 176.889 176.000 -0.003 0.000 0.958 508 Q CA 0.440 56.251 55.803 0.014 0.000 0.841 508 Q CB -0.131 28.621 28.738 0.023 0.000 0.915 508 Q HN 0.871 nan 8.270 nan 0.000 0.455 509 D N 1.764 122.158 120.400 -0.009 0.000 2.383 509 D HA -0.065 4.575 4.640 -0.000 0.000 0.275 509 D C 0.850 177.140 176.300 -0.018 0.000 1.344 509 D CA 0.228 54.216 54.000 -0.020 0.000 0.984 509 D CB 0.662 41.442 40.800 -0.033 0.000 1.104 509 D HN -0.188 nan 8.370 nan 0.000 0.524 510 K N 2.895 123.284 120.400 -0.019 0.000 2.365 510 K HA -0.069 4.251 4.320 -0.000 0.000 0.199 510 K C 0.905 177.495 176.600 -0.017 0.000 1.045 510 K CA 0.860 57.136 56.287 -0.018 0.000 0.962 510 K CB 0.141 32.628 32.500 -0.021 0.000 0.759 510 K HN 0.347 nan 8.250 nan 0.000 0.469 511 D N 0.061 120.449 120.400 -0.020 0.000 2.097 511 D HA -0.159 4.481 4.640 -0.000 0.000 0.195 511 D C 1.682 177.973 176.300 -0.015 0.000 0.989 511 D CA 0.991 54.980 54.000 -0.019 0.000 0.827 511 D CB -0.099 40.686 40.800 -0.024 0.000 0.966 511 D HN 0.158 nan 8.370 nan 0.000 0.456 512 L N 1.281 122.492 121.223 -0.020 0.000 2.072 512 L HA -0.070 4.270 4.340 -0.000 0.000 0.205 512 L C 2.078 178.952 176.870 0.006 0.000 1.079 512 L CA 1.683 56.517 54.840 -0.010 0.000 0.752 512 L CB -0.438 41.603 42.059 -0.028 0.000 0.906 512 L HN -0.147 nan 8.230 nan 0.000 0.436 513 K N -0.512 119.888 120.400 0.000 0.000 2.103 513 K HA -0.258 4.062 4.320 -0.000 0.000 0.207 513 K C 2.264 178.866 176.600 0.003 0.000 1.048 513 K CA 1.644 57.934 56.287 0.005 0.000 0.930 513 K CB -0.053 32.444 32.500 -0.004 0.000 0.716 513 K HN 0.278 nan 8.250 nan 0.000 0.444 514 K N 0.689 121.088 120.400 -0.002 0.000 2.057 514 K HA -0.090 4.230 4.320 -0.000 0.000 0.206 514 K C 1.941 178.544 176.600 0.005 0.000 1.050 514 K CA 1.530 57.815 56.287 -0.003 0.000 0.935 514 K CB -0.071 32.425 32.500 -0.007 0.000 0.715 514 K HN 0.368 nan 8.250 nan 0.000 0.439 515 I N -1.107 119.470 120.570 0.012 0.000 3.684 515 I HA 0.121 4.291 4.170 -0.000 0.000 0.304 515 I C -0.126 176.011 176.117 0.032 0.000 1.278 515 I CA -0.182 61.131 61.300 0.021 0.000 1.272 515 I CB 0.089 38.105 38.000 0.027 0.000 1.029 515 I HN -0.128 nan 8.210 nan 0.000 0.458 516 L N 1.985 123.227 121.223 0.032 0.000 2.375 516 L HA 0.425 4.765 4.340 -0.000 0.000 0.271 516 L C 0.422 177.309 176.870 0.028 0.000 1.107 516 L CA -0.396 54.467 54.840 0.038 0.000 0.806 516 L CB 0.753 42.838 42.059 0.044 0.000 1.146 516 L HN 0.166 nan 8.230 nan 0.000 0.447 517 R N 1.232 121.749 120.500 0.028 0.000 2.441 517 R HA 0.295 4.635 4.340 -0.000 0.000 0.284 517 R C 0.799 177.117 176.300 0.030 0.000 1.070 517 R CA -0.160 55.954 56.100 0.023 0.000 1.047 517 R CB 1.058 31.369 30.300 0.019 0.000 1.016 517 R HN 0.801 nan 8.270 nan 0.000 0.477 518 A N 1.306 124.143 122.820 0.029 0.000 2.216 518 A HA -0.095 4.225 4.320 -0.000 0.000 0.214 518 A C 1.504 179.114 177.584 0.043 0.000 1.160 518 A CA 1.417 53.476 52.037 0.036 0.000 0.725 518 A CB -0.394 18.623 19.000 0.030 0.000 0.784 518 A HN 0.838 nan 8.150 nan 0.000 0.472 519 T N -3.759 110.819 114.554 0.040 0.000 3.122 519 T HA 0.145 4.495 4.350 -0.000 0.000 0.250 519 T C -0.170 174.556 174.700 0.043 0.000 1.067 519 T CA 0.035 62.162 62.100 0.045 0.000 0.966 519 T CB 0.062 68.957 68.868 0.045 0.000 1.002 519 T HN 0.194 nan 8.240 nan 0.000 0.542 520 D N 2.382 122.806 120.400 0.040 0.000 2.930 520 D HA 0.346 4.986 4.640 -0.000 0.000 0.304 520 D C 0.898 177.223 176.300 0.042 0.000 1.298 520 D CA -0.225 53.797 54.000 0.038 0.000 0.949 520 D CB 0.520 41.339 40.800 0.032 0.000 1.013 520 D HN 0.497 nan 8.370 nan 0.000 0.510 521 G N 0.351 109.176 108.800 0.042 0.000 2.716 521 G HA2 0.173 4.133 3.960 -0.000 0.000 0.251 521 G HA3 0.173 4.133 3.960 -0.000 0.000 0.251 521 G C 0.027 174.946 174.900 0.032 0.000 1.224 521 G CA -0.472 44.652 45.100 0.039 0.000 0.891 521 G HN 0.297 nan 8.290 nan 0.000 0.561 522 L N 1.481 122.716 121.223 0.020 0.000 2.385 522 L HA 0.536 4.876 4.340 -0.000 0.000 0.281 522 L C 0.913 177.790 176.870 0.012 0.000 1.106 522 L CA 1.315 56.163 54.840 0.015 0.000 0.856 522 L CB -0.227 41.827 42.059 -0.009 0.000 1.186 522 L HN 1.542 nan 8.230 nan 0.000 0.453 523 G N 2.952 111.766 108.800 0.023 0.000 2.787 523 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.685 523 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.685 523 G C -0.149 174.761 174.900 0.016 0.000 1.437 523 G CA -0.491 44.622 45.100 0.021 0.000 0.872 523 G HN 0.796 nan 8.290 nan 0.000 0.566 524 T N 0.794 115.358 114.554 0.016 0.000 2.866 524 T HA 0.185 4.535 4.350 -0.000 0.000 0.293 524 T C 1.662 176.359 174.700 -0.005 0.000 1.005 524 T CA 1.160 63.266 62.100 0.009 0.000 1.162 524 T CB 1.104 69.982 68.868 0.015 0.000 0.968 524 T HN 0.752 nan 8.240 nan 0.000 0.530 525 E N 3.197 123.389 120.200 -0.014 0.000 2.085 525 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 525 E C 2.187 178.760 176.600 -0.044 0.000 0.994 525 E CA 1.328 57.713 56.400 -0.026 0.000 0.801 525 E CB -0.151 29.532 29.700 -0.028 0.000 0.743 525 E HN 0.788 nan 8.360 nan 0.000 0.453 526 A N -0.143 122.641 122.820 -0.060 0.000 2.168 526 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 526 A C 1.955 179.512 177.584 -0.045 0.000 1.152 526 A CA 1.535 53.527 52.037 -0.075 0.000 0.716 526 A CB -0.302 18.636 19.000 -0.104 0.000 0.794 526 A HN 0.414 nan 8.150 nan 0.000 0.465 527 T N -4.644 109.895 114.554 -0.025 0.000 3.145 527 T HA 0.248 4.598 4.350 -0.000 0.000 0.281 527 T C 1.300 175.995 174.700 -0.008 0.000 1.003 527 T CA -0.272 61.820 62.100 -0.012 0.000 0.901 527 T CB -0.058 68.811 68.868 0.002 0.000 1.112 527 T HN 0.409 nan 8.240 nan 0.000 0.535 528 R N 1.205 121.696 120.500 -0.014 0.000 2.105 528 R HA 0.021 4.361 4.340 -0.000 0.000 0.239 528 R C 2.722 179.017 176.300 -0.009 0.000 1.135 528 R CA 1.518 57.611 56.100 -0.013 0.000 0.967 528 R CB -0.601 29.686 30.300 -0.021 0.000 0.861 528 R HN 0.520 nan 8.270 nan 0.000 0.442 529 A N 0.919 123.732 122.820 -0.012 0.000 1.933 529 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 529 A C 2.424 180.011 177.584 0.006 0.000 1.175 529 A CA 1.728 53.760 52.037 -0.008 0.000 0.628 529 A CB -1.112 17.874 19.000 -0.023 0.000 0.814 529 A HN 0.471 nan 8.150 nan 0.000 0.444 530 G N 0.260 109.063 108.800 0.005 0.000 2.469 530 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 530 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 530 G C 1.379 176.299 174.900 0.033 0.000 1.136 530 G CA 1.215 46.324 45.100 0.015 0.000 0.759 530 G HN 0.398 nan 8.290 nan 0.000 0.562 531 I N 1.025 121.614 120.570 0.032 0.000 2.226 531 I HA -0.105 4.065 4.170 -0.000 0.000 0.245 531 I C 2.827 178.985 176.117 0.069 0.000 1.100 531 I CA 0.900 62.225 61.300 0.043 0.000 1.374 531 I CB -0.981 37.035 38.000 0.025 0.000 1.057 531 I HN 0.212 nan 8.210 nan 0.000 0.413 532 I N 0.500 121.118 120.570 0.079 0.000 2.179 532 I HA -0.290 3.879 4.170 -0.000 0.000 0.242 532 I C 2.592 178.878 176.117 0.283 0.000 1.088 532 I CA 1.301 62.699 61.300 0.163 0.000 1.357 532 I CB -0.485 37.604 38.000 0.148 0.000 1.051 532 I HN 0.303 nan 8.210 nan 0.000 0.409 533 E N 1.294 121.589 120.200 0.159 0.000 2.086 533 E HA -0.299 4.051 4.350 -0.000 0.000 0.200 533 E C 2.342 179.031 176.600 0.149 0.000 1.012 533 E CA 1.640 58.114 56.400 0.124 0.000 0.812 533 E CB -0.134 29.585 29.700 0.032 0.000 0.743 533 E HN 0.431 nan 8.360 nan 0.000 0.453 534 L N 0.591 121.872 121.223 0.097 0.000 2.042 534 L HA -0.200 4.139 4.340 -0.000 0.000 0.210 534 L C 2.340 179.228 176.870 0.030 0.000 1.076 534 L CA 1.145 56.018 54.840 0.055 0.000 0.749 534 L CB -0.108 41.979 42.059 0.047 0.000 0.893 534 L HN 0.212 nan 8.230 nan 0.000 0.432 535 L N -1.512 119.751 121.223 0.068 0.000 2.141 535 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 535 L C 2.321 179.128 176.870 -0.105 0.000 1.094 535 L CA 1.086 55.928 54.840 0.004 0.000 0.763 535 L CB -0.486 41.599 42.059 0.043 0.000 0.908 535 L HN 0.205 nan 8.230 nan 0.000 0.437 536 F N 0.284 120.220 119.950 -0.022 0.000 2.113 536 F HA -0.208 4.319 4.527 -0.000 0.000 0.297 536 F C 2.696 178.457 175.800 -0.064 0.000 1.103 536 F CA 1.448 59.433 58.000 -0.024 0.000 1.248 536 F CB -0.314 38.681 39.000 -0.008 0.000 0.999 536 F HN -0.072 nan 8.300 nan 0.000 0.475 537 K N 0.308 120.773 120.400 0.108 0.000 2.074 537 K HA -0.201 4.119 4.320 -0.000 0.000 0.209 537 K C 2.080 178.619 176.600 -0.102 0.000 1.048 537 K CA 1.257 57.549 56.287 0.009 0.000 0.926 537 K CB -0.041 32.461 32.500 0.003 0.000 0.713 537 K HN 0.065 nan 8.250 nan 0.000 0.444 538 R N -0.683 119.661 120.500 -0.261 0.000 2.280 538 R HA -0.032 4.308 4.340 -0.000 0.000 0.207 538 R C 1.200 177.167 176.300 -0.555 0.000 1.043 538 R CA 0.937 56.690 56.100 -0.579 0.000 1.006 538 R CB -0.388 29.161 30.300 -1.251 0.000 0.885 538 R HN 0.581 nan 8.270 nan 0.000 0.467 539 G N 0.734 109.371 108.800 -0.271 0.000 2.160 539 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.251 539 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.251 539 G C 0.382 175.313 174.900 0.051 0.000 1.008 539 G CA 0.186 45.236 45.100 -0.083 0.000 0.724 539 G HN 0.274 nan 8.290 nan 0.000 0.514 540 F N -0.432 119.477 119.950 -0.068 0.000 2.569 540 F HA 0.449 4.976 4.527 -0.000 0.000 0.295 540 F C 1.571 177.258 175.800 -0.188 0.000 1.115 540 F CA -0.142 57.802 58.000 -0.093 0.000 1.450 540 F CB 0.020 38.983 39.000 -0.063 0.000 1.107 540 F HN 0.162 nan 8.300 nan 0.000 0.563 541 L N -0.971 120.128 121.223 -0.206 0.000 2.354 541 L HA 0.626 4.965 4.340 -0.000 0.000 0.264 541 L C -0.140 176.365 176.870 -0.608 0.000 1.008 541 L CA -0.463 54.066 54.840 -0.519 0.000 0.819 541 L CB 2.403 43.863 42.059 -0.999 0.000 1.339 541 L HN -0.278 nan 8.230 nan 0.000 0.420 542 T N 0.832 115.209 114.554 -0.295 0.000 2.868 542 T HA 0.449 4.799 4.350 -0.000 0.000 0.306 542 T C -1.367 173.473 174.700 0.234 0.000 1.224 542 T CA -0.616 61.521 62.100 0.061 0.000 1.012 542 T CB 2.007 70.907 68.868 0.052 0.000 1.221 542 T HN 0.511 nan 8.240 nan 0.000 0.499 543 K N 2.335 122.926 120.400 0.318 0.000 2.259 543 K HA 0.530 4.850 4.320 -0.000 0.000 0.252 543 K C 0.375 177.008 176.600 0.054 0.000 0.936 543 K CA -1.031 55.390 56.287 0.223 0.000 0.810 543 K CB 1.541 34.176 32.500 0.225 0.000 1.143 543 K HN 0.329 nan 8.250 nan 0.000 0.427 544 K N 0.786 121.176 120.400 -0.015 0.000 2.159 544 K HA 0.130 4.450 4.320 -0.000 0.000 0.210 544 K C 1.382 177.993 176.600 0.019 0.000 1.026 544 K CA 0.756 56.996 56.287 -0.079 0.000 0.959 544 K CB -0.140 32.209 32.500 -0.252 0.000 0.890 544 K HN 0.764 nan 8.250 nan 0.000 0.459 545 G N 0.905 109.764 108.800 0.098 0.000 2.968 545 G HA2 0.046 4.006 3.960 -0.000 0.000 0.206 545 G HA3 0.046 4.006 3.960 -0.000 0.000 0.206 545 G C 0.950 175.876 174.900 0.045 0.000 2.051 545 G CA -0.236 44.922 45.100 0.096 0.000 0.773 545 G HN 0.114 nan 8.290 nan 0.000 0.741 546 R N -0.515 119.963 120.500 -0.037 0.000 2.317 546 R HA 0.201 4.540 4.340 -0.000 0.000 0.208 546 R C -0.384 175.799 176.300 -0.197 0.000 0.914 546 R CA -0.075 55.918 56.100 -0.179 0.000 1.060 546 R CB 0.106 30.213 30.300 -0.321 0.000 1.015 546 R HN 0.353 nan 8.270 nan 0.000 0.498 547 Y N 1.091 121.466 120.300 0.124 0.000 2.313 547 Y HA 0.322 4.872 4.550 -0.000 0.000 0.332 547 Y C 0.679 176.736 175.900 0.263 0.000 1.071 547 Y CA -0.868 57.347 58.100 0.191 0.000 1.169 547 Y CB 0.878 39.462 38.460 0.206 0.000 1.192 547 Y HN -0.188 nan 8.280 nan 0.000 0.487 548 I N 4.100 124.932 120.570 0.436 0.000 2.428 548 I HA 0.213 4.383 4.170 -0.000 0.000 0.289 548 I C -0.567 175.763 176.117 0.356 0.000 1.019 548 I CA -0.287 61.248 61.300 0.392 0.000 1.351 548 I CB 0.564 38.765 38.000 0.334 0.000 1.412 548 I HN 0.580 nan 8.210 nan 0.000 0.513 549 H N 2.610 121.718 119.070 0.063 0.000 2.600 549 H HA 0.337 4.893 4.556 -0.000 0.000 0.357 549 H C -0.364 174.951 175.328 -0.022 0.000 1.106 549 H CA -0.820 55.235 56.048 0.011 0.000 1.193 549 H CB 1.755 31.474 29.762 -0.072 0.000 1.594 549 H HN 0.566 nan 8.280 nan 0.000 0.526 550 S N 1.216 116.955 115.700 0.065 0.000 2.564 550 S HA 0.285 4.755 4.470 -0.000 0.000 0.278 550 S C 0.558 175.178 174.600 0.034 0.000 1.333 550 S CA -0.625 57.576 58.200 0.001 0.000 1.048 550 S CB 0.629 63.791 63.200 -0.063 0.000 0.900 550 S HN 0.722 nan 8.310 nan 0.000 0.505 551 T N -0.319 114.250 114.554 0.025 0.000 2.847 551 T HA 0.302 4.652 4.350 -0.000 0.000 0.279 551 T C 0.505 175.227 174.700 0.036 0.000 0.984 551 T CA -0.611 61.514 62.100 0.042 0.000 0.988 551 T CB 0.324 69.227 68.868 0.059 0.000 1.040 551 T HN 0.497 nan 8.240 nan 0.000 0.528 552 D N 0.712 121.134 120.400 0.038 0.000 2.158 552 D HA -0.107 4.533 4.640 -0.000 0.000 0.197 552 D C 2.302 178.614 176.300 0.019 0.000 0.995 552 D CA 1.745 55.763 54.000 0.030 0.000 0.846 552 D CB -0.715 40.101 40.800 0.026 0.000 0.941 552 D HN 0.740 nan 8.370 nan 0.000 0.456 553 A N 0.673 123.512 122.820 0.032 0.000 1.898 553 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 553 A C 2.392 179.946 177.584 -0.050 0.000 1.181 553 A CA 2.053 54.108 52.037 0.029 0.000 0.620 553 A CB -1.010 18.066 19.000 0.127 0.000 0.819 553 A HN 0.306 nan 8.150 nan 0.000 0.442 554 G N -0.145 108.646 108.800 -0.014 0.000 2.421 554 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 554 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 554 G C 1.674 176.479 174.900 -0.159 0.000 1.171 554 G CA 1.126 46.123 45.100 -0.171 0.000 0.775 554 G HN 0.576 nan 8.290 nan 0.000 0.543 555 K N 0.633 120.986 120.400 -0.079 0.000 2.063 555 K HA 0.009 4.329 4.320 -0.000 0.000 0.208 555 K C 2.934 179.567 176.600 0.055 0.000 1.048 555 K CA 1.112 57.373 56.287 -0.044 0.000 0.928 555 K CB -0.250 32.277 32.500 0.045 0.000 0.713 555 K HN 0.272 nan 8.250 nan 0.000 0.442 556 A N 1.334 124.173 122.820 0.031 0.000 1.898 556 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 556 A C 2.114 179.683 177.584 -0.026 0.000 1.181 556 A CA 1.140 53.187 52.037 0.017 0.000 0.620 556 A CB -0.490 18.500 19.000 -0.017 0.000 0.819 556 A HN 0.243 nan 8.150 nan 0.000 0.442 557 L N -1.367 119.828 121.223 -0.048 0.000 2.027 557 L HA -0.066 4.274 4.340 -0.000 0.000 0.206 557 L C 2.198 179.012 176.870 -0.093 0.000 1.074 557 L CA 2.312 57.124 54.840 -0.047 0.000 0.745 557 L CB -0.849 41.023 42.059 -0.312 0.000 0.898 557 L HN 0.436 nan 8.230 nan 0.000 0.433 558 F N 0.008 119.789 119.950 -0.281 0.000 2.091 558 F HA -0.305 4.222 4.527 -0.000 0.000 0.299 558 F C 2.448 178.089 175.800 -0.265 0.000 1.103 558 F CA 2.177 59.989 58.000 -0.312 0.000 1.228 558 F CB -0.449 38.302 39.000 -0.415 0.000 0.984 558 F HN 0.285 nan 8.300 nan 0.000 0.477 559 H N -0.616 118.474 119.070 0.034 0.000 2.555 559 H HA 0.041 4.596 4.556 -0.000 0.000 0.269 559 H C 2.414 177.653 175.328 -0.149 0.000 0.988 559 H CA 1.081 57.087 56.048 -0.070 0.000 1.178 559 H CB -0.384 29.403 29.762 0.042 0.000 1.373 559 H HN 0.419 nan 8.280 nan 0.000 0.588 560 S N -0.218 115.450 115.700 -0.055 0.000 2.486 560 S HA 0.080 4.550 4.470 -0.000 0.000 0.220 560 S C 0.939 175.568 174.600 0.049 0.000 1.011 560 S CA -0.252 57.931 58.200 -0.028 0.000 0.921 560 S CB -0.043 63.130 63.200 -0.046 0.000 0.785 560 S HN 0.055 nan 8.310 nan 0.000 0.517 561 L N 2.409 123.572 121.223 -0.100 0.000 2.375 561 L HA 0.463 4.803 4.340 -0.000 0.000 0.271 561 L C -2.335 174.447 176.870 -0.147 0.000 1.107 561 L CA -2.467 52.282 54.840 -0.151 0.000 0.806 561 L CB 0.401 42.270 42.059 -0.318 0.000 1.146 561 L HN 0.037 nan 8.230 nan 0.000 0.447 562 P HA -0.032 nan 4.420 nan 0.000 0.268 562 P C 0.316 177.533 177.300 -0.137 0.000 1.208 562 P CA -0.081 62.977 63.100 -0.070 0.000 0.777 562 P CB 0.544 32.237 31.700 -0.013 0.000 0.875 563 E N 1.863 121.986 120.200 -0.129 0.000 2.160 563 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 563 E C 1.564 178.101 176.600 -0.105 0.000 0.991 563 E CA 1.071 57.384 56.400 -0.144 0.000 0.810 563 E CB -0.203 29.444 29.700 -0.089 0.000 0.742 563 E HN 0.521 nan 8.360 nan 0.000 0.466 564 M N -1.527 118.029 119.600 -0.073 0.000 2.460 564 M HA 0.023 4.503 4.480 -0.000 0.000 0.263 564 M C 1.885 178.155 176.300 -0.049 0.000 1.071 564 M CA 1.647 56.909 55.300 -0.064 0.000 1.096 564 M CB 0.153 32.726 32.600 -0.045 0.000 1.408 564 M HN 0.033 nan 8.290 nan 0.000 0.463 565 A N 0.737 123.538 122.820 -0.031 0.000 2.095 565 A HA 0.055 4.375 4.320 -0.000 0.000 0.212 565 A C 2.134 179.700 177.584 -0.030 0.000 1.162 565 A CA 1.145 53.198 52.037 0.026 0.000 0.753 565 A CB -0.567 18.454 19.000 0.034 0.000 0.840 565 A HN 0.689 nan 8.150 nan 0.000 0.468 566 T N -3.563 110.931 114.554 -0.100 0.000 3.015 566 T HA 0.220 4.570 4.350 -0.000 0.000 0.250 566 T C 0.973 175.678 174.700 0.008 0.000 1.057 566 T CA -0.416 61.641 62.100 -0.072 0.000 1.066 566 T CB 0.015 68.713 68.868 -0.282 0.000 0.959 566 T HN 0.102 nan 8.240 nan 0.000 0.488 567 R N 2.563 123.049 120.500 -0.024 0.000 2.694 567 R HA 0.232 4.572 4.340 -0.000 0.000 0.268 567 R C -1.608 174.679 176.300 -0.021 0.000 1.061 567 R CA -2.156 53.945 56.100 0.001 0.000 1.133 567 R CB -0.042 30.247 30.300 -0.018 0.000 1.020 567 R HN 0.197 nan 8.270 nan 0.000 0.475 568 P HA -0.014 nan 4.420 nan 0.000 0.231 568 P C -0.064 177.210 177.300 -0.044 0.000 1.168 568 P CA 0.617 63.708 63.100 -0.015 0.000 0.779 568 P CB 0.371 32.091 31.700 0.033 0.000 0.844 569 D N 0.036 120.402 120.400 -0.056 0.000 2.103 569 D HA -0.181 4.459 4.640 -0.000 0.000 0.190 569 D C 2.042 178.244 176.300 -0.162 0.000 0.997 569 D CA 1.286 55.238 54.000 -0.080 0.000 0.833 569 D CB -0.871 39.879 40.800 -0.084 0.000 0.961 569 D HN 0.110 nan 8.370 nan 0.000 0.447 570 M N -0.127 119.301 119.600 -0.287 0.000 2.117 570 M HA -0.168 4.312 4.480 -0.000 0.000 0.262 570 M C 2.119 177.960 176.300 -0.765 0.000 1.065 570 M CA 1.456 56.400 55.300 -0.593 0.000 1.114 570 M CB -0.054 32.122 32.600 -0.707 0.000 1.361 570 M HN -0.013 nan 8.290 nan 0.000 0.408 571 T N -0.191 114.117 114.554 -0.410 0.000 2.985 571 T HA 0.067 4.417 4.350 -0.000 0.000 0.266 571 T C 1.518 176.244 174.700 0.043 0.000 1.076 571 T CA 1.231 63.282 62.100 -0.081 0.000 1.135 571 T CB -0.132 68.747 68.868 0.018 0.000 0.890 571 T HN 0.543 nan 8.240 nan 0.000 0.480 572 A N 0.604 123.418 122.820 -0.010 0.000 1.930 572 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 572 A C 2.184 179.808 177.584 0.066 0.000 1.175 572 A CA 1.653 53.713 52.037 0.039 0.000 0.627 572 A CB -1.020 18.000 19.000 0.034 0.000 0.815 572 A HN 0.777 nan 8.150 nan 0.000 0.443 573 H N -1.895 117.136 119.070 -0.065 0.000 2.353 573 H HA -0.193 4.363 4.556 -0.000 0.000 0.300 573 H C 1.841 177.255 175.328 0.144 0.000 1.090 573 H CA 1.916 57.948 56.048 -0.026 0.000 1.327 573 H CB -0.242 29.438 29.762 -0.138 0.000 1.383 573 H HN 0.632 nan 8.280 nan 0.000 0.508 574 W N 1.690 122.979 121.300 -0.018 0.000 2.363 574 W HA -0.107 4.553 4.660 -0.000 0.000 0.296 574 W C 2.395 178.907 176.519 -0.011 0.000 1.212 574 W CA 0.530 57.908 57.345 0.055 0.000 1.260 574 W CB -0.607 28.952 29.460 0.166 0.000 1.131 574 W HN 0.350 nan 8.180 nan 0.000 0.530 575 E N -0.308 120.008 120.200 0.192 0.000 2.072 575 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 575 E C 2.194 178.801 176.600 0.013 0.000 0.985 575 E CA 1.394 57.838 56.400 0.073 0.000 0.801 575 E CB -0.835 28.905 29.700 0.067 0.000 0.750 575 E HN 0.106 nan 8.360 nan 0.000 0.452 576 S N 0.421 116.127 115.700 0.010 0.000 2.359 576 S HA -0.133 4.337 4.470 -0.000 0.000 0.224 576 S C 2.151 176.723 174.600 -0.047 0.000 1.035 576 S CA 1.370 59.562 58.200 -0.014 0.000 1.018 576 S CB -0.078 63.123 63.200 0.001 0.000 0.876 576 S HN 0.062 nan 8.310 nan 0.000 0.448 577 V N 1.976 121.839 119.914 -0.084 0.000 2.453 577 V HA -0.054 4.066 4.120 -0.000 0.000 0.247 577 V C 2.366 178.355 176.094 -0.174 0.000 1.048 577 V CA 1.416 63.675 62.300 -0.068 0.000 1.049 577 V CB -0.704 31.148 31.823 0.050 0.000 0.672 577 V HN 0.446 nan 8.190 nan 0.000 0.457 578 L N -0.027 121.014 121.223 -0.303 0.000 2.013 578 L HA -0.237 4.102 4.340 -0.000 0.000 0.212 578 L C 2.641 179.408 176.870 -0.173 0.000 1.073 578 L CA 2.173 56.789 54.840 -0.373 0.000 0.753 578 L CB -1.014 40.855 42.059 -0.317 0.000 0.890 578 L HN 0.353 nan 8.230 nan 0.000 0.432 579 T N -1.367 113.130 114.554 -0.095 0.000 2.821 579 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 579 T C 1.888 176.571 174.700 -0.028 0.000 1.046 579 T CA 1.056 63.129 62.100 -0.045 0.000 1.139 579 T CB -0.135 68.722 68.868 -0.019 0.000 0.871 579 T HN 0.352 nan 8.240 nan 0.000 0.454 580 Q N 0.186 119.971 119.800 -0.024 0.000 2.112 580 Q HA -0.096 4.244 4.340 -0.000 0.000 0.206 580 Q C 2.368 178.398 176.000 0.050 0.000 0.987 580 Q CA 1.355 57.166 55.803 0.012 0.000 0.858 580 Q CB -0.400 28.349 28.738 0.019 0.000 0.905 580 Q HN 0.550 nan 8.270 nan 0.000 0.420 581 I N 0.627 121.214 120.570 0.028 0.000 2.179 581 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 581 I C 2.584 178.717 176.117 0.027 0.000 1.088 581 I CA 1.394 62.754 61.300 0.100 0.000 1.357 581 I CB -0.465 37.536 38.000 0.001 0.000 1.051 581 I HN 0.219 nan 8.210 nan 0.000 0.409 582 S N 0.280 115.959 115.700 -0.035 0.000 2.442 582 S HA -0.169 4.301 4.470 -0.000 0.000 0.236 582 S C 1.409 175.991 174.600 -0.030 0.000 1.007 582 S CA 1.053 59.220 58.200 -0.054 0.000 0.965 582 S CB -0.443 62.734 63.200 -0.038 0.000 0.773 582 S HN 0.549 nan 8.310 nan 0.000 0.504 583 E N 0.818 121.026 120.200 0.014 0.000 2.496 583 E HA 0.248 4.598 4.350 -0.000 0.000 0.200 583 E C -0.506 176.151 176.600 0.095 0.000 1.016 583 E CA -0.362 56.053 56.400 0.025 0.000 0.962 583 E CB 0.028 29.734 29.700 0.011 0.000 1.071 583 E HN 0.446 nan 8.360 nan 0.000 0.457 584 K N 0.809 121.332 120.400 0.205 0.000 3.071 584 K HA -0.226 4.094 4.320 -0.000 0.000 0.265 584 K C 0.538 177.349 176.600 0.352 0.000 1.060 584 K CA 0.336 56.891 56.287 0.446 0.000 0.767 584 K CB -0.760 31.928 32.500 0.315 0.000 1.241 584 K HN 0.152 nan 8.250 nan 0.000 0.486 585 Q N -1.238 118.679 119.800 0.195 0.000 2.246 585 Q HA 0.148 4.487 4.340 -0.000 0.000 0.222 585 Q C 0.335 176.319 176.000 -0.027 0.000 0.851 585 Q CA 0.329 56.154 55.803 0.036 0.000 0.945 585 Q CB 1.250 30.008 28.738 0.032 0.000 1.122 585 Q HN 0.406 nan 8.270 nan 0.000 0.508 586 C N 1.147 120.499 119.300 0.086 0.000 2.811 586 C HA 0.487 4.947 4.460 -0.000 0.000 0.352 586 C C -0.647 174.475 174.990 0.221 0.000 1.098 586 C CA -0.720 58.352 59.018 0.089 0.000 1.295 586 C CB 1.015 28.821 27.740 0.110 0.000 1.758 586 C HN 0.268 nan 8.230 nan 0.000 0.488 587 R N 2.990 123.599 120.500 0.182 0.000 2.539 587 R HA 0.150 4.490 4.340 -0.000 0.000 0.275 587 R C 0.824 177.362 176.300 0.397 0.000 1.077 587 R CA -0.065 56.236 56.100 0.335 0.000 1.097 587 R CB 0.587 31.123 30.300 0.394 0.000 1.018 587 R HN 0.880 nan 8.270 nan 0.000 0.483 588 Y N 2.170 122.654 120.300 0.307 0.000 2.069 588 Y HA -0.400 4.150 4.550 -0.000 0.000 0.278 588 Y C 2.391 178.489 175.900 0.331 0.000 1.175 588 Y CA 2.360 60.611 58.100 0.253 0.000 1.134 588 Y CB -0.089 38.399 38.460 0.046 0.000 0.965 588 Y HN 0.641 nan 8.280 nan 0.000 0.498 589 Q N -0.143 119.926 119.800 0.448 0.000 2.112 589 Q HA -0.229 4.111 4.340 -0.000 0.000 0.206 589 Q C 1.529 177.573 176.000 0.074 0.000 0.987 589 Q CA 2.081 58.017 55.803 0.222 0.000 0.858 589 Q CB -0.147 28.741 28.738 0.251 0.000 0.905 589 Q HN 0.545 nan 8.270 nan 0.000 0.420 590 D N -0.796 119.683 120.400 0.132 0.000 2.317 590 D HA -0.088 4.552 4.640 -0.000 0.000 0.211 590 D C 1.205 177.583 176.300 0.129 0.000 0.966 590 D CA 0.409 54.472 54.000 0.106 0.000 0.876 590 D CB -0.002 40.864 40.800 0.111 0.000 0.927 590 D HN 0.272 nan 8.370 nan 0.000 0.519 591 F N 0.728 120.655 119.950 -0.038 0.000 2.188 591 F HA 0.033 4.560 4.527 -0.000 0.000 0.289 591 F C 2.090 177.808 175.800 -0.136 0.000 1.082 591 F CA 0.666 58.623 58.000 -0.073 0.000 1.282 591 F CB -0.174 38.755 39.000 -0.119 0.000 1.060 591 F HN -0.231 nan 8.300 nan 0.000 0.493 592 M N 0.450 119.747 119.600 -0.505 0.000 2.193 592 M HA -0.077 4.403 4.480 -0.000 0.000 0.265 592 M C 2.075 178.183 176.300 -0.319 0.000 1.071 592 M CA 1.491 56.417 55.300 -0.623 0.000 1.140 592 M CB -0.645 31.580 32.600 -0.624 0.000 1.369 592 M HN 0.098 nan 8.290 nan 0.000 0.423 593 Q N 0.107 119.812 119.800 -0.159 0.000 2.050 593 Q HA -0.069 4.271 4.340 -0.000 0.000 0.202 593 Q C -0.394 175.594 176.000 -0.020 0.000 0.980 593 Q CA 1.918 57.695 55.803 -0.042 0.000 0.840 593 Q CB -2.081 26.662 28.738 0.008 0.000 0.898 593 Q HN 0.373 nan 8.270 nan 0.000 0.424 594 P HA -0.138 nan 4.420 nan 0.000 0.216 594 P C 1.658 179.005 177.300 0.077 0.000 1.150 594 P CA 0.891 64.021 63.100 0.049 0.000 0.837 594 P CB -0.197 31.560 31.700 0.095 0.000 0.786 595 L N -0.874 120.322 121.223 -0.045 0.000 2.046 595 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 595 L C 2.089 178.959 176.870 0.001 0.000 1.077 595 L CA 1.459 56.255 54.840 -0.073 0.000 0.747 595 L CB -0.636 41.055 42.059 -0.614 0.000 0.896 595 L HN -0.188 nan 8.230 nan 0.000 0.432 596 V N 0.244 120.153 119.914 -0.008 0.000 2.343 596 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 596 V C 2.638 178.867 176.094 0.225 0.000 1.051 596 V CA 1.894 64.251 62.300 0.094 0.000 1.036 596 V CB -1.372 30.526 31.823 0.124 0.000 0.654 596 V HN 0.669 nan 8.190 nan 0.000 0.451 597 G N -0.636 108.275 108.800 0.184 0.000 2.421 597 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 597 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 597 G C 1.699 176.719 174.900 0.199 0.000 1.171 597 G CA 1.517 46.732 45.100 0.192 0.000 0.775 597 G HN 0.447 nan 8.290 nan 0.000 0.543 598 T N 1.088 115.754 114.554 0.186 0.000 2.699 598 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 598 T C 2.248 177.061 174.700 0.188 0.000 1.036 598 T CA 1.363 63.588 62.100 0.209 0.000 1.147 598 T CB -0.262 68.802 68.868 0.326 0.000 0.862 598 T HN 0.130 nan 8.240 nan 0.000 0.446 599 L N -0.073 121.241 121.223 0.150 0.000 2.046 599 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 599 L C 2.041 178.870 176.870 -0.068 0.000 1.077 599 L CA 1.655 56.499 54.840 0.007 0.000 0.747 599 L CB -0.764 41.241 42.059 -0.089 0.000 0.896 599 L HN 0.257 nan 8.230 nan 0.000 0.432 600 Y N -0.223 120.079 120.300 0.003 0.000 2.165 600 Y HA -0.305 4.244 4.550 -0.000 0.000 0.286 600 Y C 2.867 178.765 175.900 -0.004 0.000 1.155 600 Y CA 2.157 60.251 58.100 -0.011 0.000 1.164 600 Y CB -0.387 38.070 38.460 -0.006 0.000 0.978 600 Y HN 0.377 nan 8.280 nan 0.000 0.513 601 Q N 0.026 119.925 119.800 0.165 0.000 2.046 601 Q HA -0.185 4.155 4.340 -0.000 0.000 0.200 601 Q C 2.172 178.212 176.000 0.066 0.000 0.975 601 Q CA 1.487 57.352 55.803 0.103 0.000 0.836 601 Q CB -0.258 28.536 28.738 0.094 0.000 0.896 601 Q HN 0.504 nan 8.270 nan 0.000 0.428 602 L N 0.380 121.637 121.223 0.057 0.000 2.083 602 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 602 L C 2.310 179.187 176.870 0.011 0.000 1.083 602 L CA 0.525 55.389 54.840 0.040 0.000 0.752 602 L CB -0.287 41.787 42.059 0.025 0.000 0.899 602 L HN 0.330 nan 8.230 nan 0.000 0.433 603 I N -0.112 120.432 120.570 -0.043 0.000 2.353 603 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 603 I C 2.173 178.259 176.117 -0.052 0.000 1.119 603 I CA 1.513 62.761 61.300 -0.086 0.000 1.417 603 I CB -0.959 36.943 38.000 -0.164 0.000 1.078 603 I HN 0.330 nan 8.210 nan 0.000 0.421 604 D N 0.634 121.032 120.400 -0.003 0.000 2.144 604 D HA -0.213 4.427 4.640 -0.000 0.000 0.199 604 D C 2.207 178.508 176.300 0.002 0.000 0.984 604 D CA 1.298 55.304 54.000 0.010 0.000 0.834 604 D CB 0.147 40.972 40.800 0.041 0.000 0.955 604 D HN 0.327 nan 8.370 nan 0.000 0.465 605 Q N -0.200 119.609 119.800 0.016 0.000 2.084 605 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 605 Q C 2.337 178.343 176.000 0.011 0.000 0.978 605 Q CA 1.339 57.157 55.803 0.026 0.000 0.844 605 Q CB -0.220 28.548 28.738 0.050 0.000 0.898 605 Q HN 0.387 nan 8.270 nan 0.000 0.426 606 A N 1.680 124.486 122.820 -0.023 0.000 1.908 606 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 606 A C 1.905 179.379 177.584 -0.183 0.000 1.181 606 A CA 1.649 53.574 52.037 -0.186 0.000 0.627 606 A CB -0.348 18.436 19.000 -0.360 0.000 0.818 606 A HN 0.203 nan 8.150 nan 0.000 0.445 607 K N -0.781 119.549 120.400 -0.118 0.000 2.209 607 K HA -0.058 4.262 4.320 -0.000 0.000 0.204 607 K C 1.934 178.508 176.600 -0.043 0.000 1.048 607 K CA 1.139 57.376 56.287 -0.083 0.000 0.940 607 K CB -0.101 32.363 32.500 -0.059 0.000 0.729 607 K HN 0.374 nan 8.250 nan 0.000 0.451 608 R N 0.432 120.916 120.500 -0.026 0.000 2.297 608 R HA 0.049 4.389 4.340 -0.000 0.000 0.197 608 R C 0.031 176.336 176.300 0.008 0.000 0.943 608 R CA 0.277 56.374 56.100 -0.005 0.000 1.038 608 R CB 0.307 30.609 30.300 0.002 0.000 0.957 608 R HN 0.022 nan 8.270 nan 0.000 0.484 609 T N 4.157 118.717 114.554 0.010 0.000 2.799 609 T HA 0.129 4.479 4.350 -0.000 0.000 0.296 609 T C -2.156 172.591 174.700 0.079 0.000 0.947 609 T CA -1.080 61.053 62.100 0.055 0.000 1.141 609 T CB 1.089 70.017 68.868 0.100 0.000 0.891 609 T HN 0.068 nan 8.240 nan 0.000 0.533 610 P HA 0.095 nan 4.420 nan 0.000 0.271 610 P C 1.085 178.470 177.300 0.142 0.000 1.218 610 P CA -0.384 62.757 63.100 0.068 0.000 0.780 610 P CB 0.751 32.465 31.700 0.023 0.000 0.901 611 V N 1.333 121.358 119.914 0.186 0.000 3.406 611 V HA -0.026 4.094 4.120 -0.000 0.000 0.263 611 V C 2.127 178.375 176.094 0.256 0.000 1.172 611 V CA 0.513 63.035 62.300 0.370 0.000 1.140 611 V CB -1.021 30.954 31.823 0.254 0.000 0.784 611 V HN 0.331 nan 8.190 nan 0.000 0.467 612 R N 2.099 122.659 120.500 0.099 0.000 2.113 612 R HA -0.264 4.076 4.340 -0.000 0.000 0.244 612 R C 2.439 178.737 176.300 -0.004 0.000 1.142 612 R CA 2.424 58.551 56.100 0.046 0.000 0.953 612 R CB -0.718 29.590 30.300 0.013 0.000 0.860 612 R HN 0.866 nan 8.270 nan 0.000 0.438 613 Q N -0.053 119.671 119.800 -0.127 0.000 2.439 613 Q HA -0.130 4.210 4.340 -0.000 0.000 0.211 613 Q C 0.972 176.804 176.000 -0.279 0.000 0.978 613 Q CA 1.308 56.960 55.803 -0.251 0.000 0.897 613 Q CB -0.154 28.344 28.738 -0.399 0.000 0.956 613 Q HN 0.353 nan 8.270 nan 0.000 0.483 614 F N 1.110 121.080 119.950 0.035 0.000 2.765 614 F HA 0.256 4.783 4.527 -0.000 0.000 0.302 614 F C 0.670 176.485 175.800 0.024 0.000 1.111 614 F CA -0.337 57.681 58.000 0.031 0.000 1.359 614 F CB 0.255 39.295 39.000 0.067 0.000 1.097 614 F HN -0.127 nan 8.300 nan 0.000 0.577 615 R N 0.074 120.668 120.500 0.156 0.000 2.438 615 R HA 0.417 4.757 4.340 -0.000 0.000 0.287 615 R C 1.240 177.584 176.300 0.073 0.000 1.077 615 R CA 0.565 56.734 56.100 0.115 0.000 1.034 615 R CB 0.294 30.645 30.300 0.085 0.000 0.993 615 R HN 0.318 nan 8.270 nan 0.000 0.459 616 G N 2.423 111.268 108.800 0.075 0.000 2.143 616 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.249 616 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.249 616 G C 0.229 175.148 174.900 0.032 0.000 0.981 616 G CA -0.413 44.720 45.100 0.054 0.000 0.665 616 G HN 0.539 nan 8.290 nan 0.000 0.528 617 I N 1.261 121.832 120.570 0.002 0.000 2.556 617 I HA 0.328 4.498 4.170 -0.000 0.000 0.284 617 I C 1.277 177.367 176.117 -0.044 0.000 1.114 617 I CA -0.378 60.849 61.300 -0.122 0.000 1.418 617 I CB 1.034 38.779 38.000 -0.424 0.000 1.394 617 I HN 0.177 nan 8.210 nan 0.000 0.552 618 V N 3.886 123.800 119.914 -0.001 0.000 2.713 618 V HA 0.759 4.879 4.120 -0.000 0.000 0.307 618 V C 0.469 176.685 176.094 0.204 0.000 1.052 618 V CA -0.955 61.414 62.300 0.115 0.000 0.967 618 V CB 1.417 33.290 31.823 0.083 0.000 1.019 618 V HN 0.796 nan 8.190 nan 0.000 0.459 619 A N 3.769 126.755 122.820 0.277 0.000 2.445 619 A HA 0.610 4.930 4.320 -0.000 0.000 0.242 619 A C -1.193 176.481 177.584 0.150 0.000 1.075 619 A CA -0.751 51.446 52.037 0.266 0.000 0.777 619 A CB -1.210 17.883 19.000 0.155 0.000 1.013 619 A HN 0.978 nan 8.150 nan 0.000 0.493 647 V N 3.884 123.831 119.914 0.054 0.000 2.446 647 V HA 0.395 4.515 4.120 -0.000 0.000 0.276 647 V C 1.414 177.506 176.094 -0.004 0.000 1.030 647 V CA 1.694 64.021 62.300 0.046 0.000 1.033 647 V CB 0.425 32.312 31.823 0.107 0.000 0.993 647 V HN 1.033 nan 8.190 nan 0.000 0.477 648 G N 4.290 113.072 108.800 -0.030 0.000 2.213 648 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.226 648 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.226 648 G C 1.163 175.981 174.900 -0.137 0.000 0.992 648 G CA 0.798 45.846 45.100 -0.087 0.000 0.632 648 G HN 1.047 nan 8.290 nan 0.000 0.511 649 S N 0.483 116.120 115.700 -0.106 0.000 2.423 649 S HA 0.196 4.666 4.470 -0.000 0.000 0.231 649 S C 2.458 176.974 174.600 -0.140 0.000 1.014 649 S CA 1.645 59.770 58.200 -0.126 0.000 0.965 649 S CB -0.609 62.555 63.200 -0.060 0.000 0.785 649 S HN 1.567 nan 8.310 nan 0.000 0.495 650 G N 1.573 110.310 108.800 -0.106 0.000 2.421 650 G HA2 0.051 4.011 3.960 -0.000 0.000 0.216 650 G HA3 0.051 4.011 3.960 -0.000 0.000 0.216 650 G C 1.710 176.507 174.900 -0.171 0.000 1.171 650 G CA 0.867 45.871 45.100 -0.160 0.000 0.775 650 G HN 0.786 nan 8.290 nan 0.000 0.543 651 A N 0.732 123.560 122.820 0.013 0.000 1.873 651 A HA 0.064 4.384 4.320 -0.000 0.000 0.215 651 A C 2.416 179.996 177.584 -0.007 0.000 1.186 651 A CA 1.317 53.423 52.037 0.116 0.000 0.616 651 A CB -0.405 18.622 19.000 0.045 0.000 0.823 651 A HN 0.360 nan 8.150 nan 0.000 0.442 652 I N -0.083 120.387 120.570 -0.166 0.000 2.163 652 I HA -0.332 3.837 4.170 -0.000 0.000 0.243 652 I C 2.973 178.876 176.117 -0.357 0.000 1.085 652 I CA 1.223 62.334 61.300 -0.315 0.000 1.347 652 I CB -0.314 37.379 38.000 -0.510 0.000 1.044 652 I HN 0.368 nan 8.210 nan 0.000 0.408 653 A N 0.037 122.678 122.820 -0.299 0.000 1.902 653 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 653 A C 2.054 179.373 177.584 -0.442 0.000 1.181 653 A CA 1.850 53.646 52.037 -0.403 0.000 0.623 653 A CB -1.167 17.630 19.000 -0.338 0.000 0.818 653 A HN 0.481 nan 8.150 nan 0.000 0.443 654 H N -2.313 116.717 119.070 -0.066 0.000 2.319 654 H HA -0.190 4.366 4.556 -0.000 0.000 0.299 654 H C 2.268 177.485 175.328 -0.184 0.000 1.092 654 H CA 1.888 57.913 56.048 -0.038 0.000 1.302 654 H CB -0.169 29.609 29.762 0.026 0.000 1.373 654 H HN 0.684 nan 8.280 nan 0.000 0.497 655 H N -0.041 119.015 119.070 -0.023 0.000 2.321 655 H HA -0.116 4.440 4.556 -0.000 0.000 0.300 655 H C 1.986 177.268 175.328 -0.078 0.000 1.087 655 H CA 1.946 57.980 56.048 -0.023 0.000 1.319 655 H CB -0.310 29.439 29.762 -0.022 0.000 1.379 655 H HN 0.520 nan 8.280 nan 0.000 0.501 656 H N -1.672 117.315 119.070 -0.139 0.000 2.387 656 H HA -0.131 4.425 4.556 -0.000 0.000 0.299 656 H C 2.072 177.294 175.328 -0.177 0.000 1.099 656 H CA 1.181 57.129 56.048 -0.166 0.000 1.315 656 H CB 0.043 29.702 29.762 -0.171 0.000 1.380 656 H HN 0.604 nan 8.280 nan 0.000 0.513 657 H N -0.976 118.070 119.070 -0.041 0.000 2.353 657 H HA -0.105 4.451 4.556 -0.000 0.000 0.300 657 H C 1.674 176.923 175.328 -0.132 0.000 1.090 657 H CA 1.222 57.199 56.048 -0.118 0.000 1.327 657 H CB 0.028 29.669 29.762 -0.202 0.000 1.383 657 H HN 0.533 nan 8.280 nan 0.000 0.508 658 H N -1.110 117.968 119.070 0.012 0.000 2.559 658 H HA 0.026 4.582 4.556 -0.000 0.000 0.273 658 H C 0.191 175.424 175.328 -0.158 0.000 1.000 658 H CA 0.155 56.141 56.048 -0.105 0.000 1.195 658 H CB 0.196 29.858 29.762 -0.167 0.000 1.368 658 H HN 0.496 nan 8.280 nan 0.000 0.592 659 H N 0.000 119.140 119.070 0.117 0.000 2.539 659 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 659 H CA 0.000 56.082 56.048 0.057 0.000 1.023 659 H CB 0.000 29.764 29.762 0.003 0.000 1.292 659 H HN 0.000 nan 8.280 nan 0.000 0.496