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 3k2k_1_A DATA FIRST_RESID -7 DATA SEQUENCE HENLYFQGXT LSITSNFDAG AIDVVSCERA DAIRLRVRGD NRSEFAQWFY DATA SEQUENCE FRLTGARGER CVXTFENAND CAYPAGWRDY RAVASYDRVN WFRVPTSYDG DATA SEQUENCE QXLTIDHTPE FDSIHYAYFE PYSEERHSEF LGAVQQXPQA SVVELGRTVE DATA SEQUENCE GRPXSLVVLG TPDXXXXAKK KVWIIARQHP GESXAEWFIE GLVKRLVGWG DATA SEQUENCE DWSGDPVARK LYDHATFYIV PNXNPDGSVH GNLRTNAAGA NLNREWXEPD DATA SEQUENCE AERSPEVLVV RDAIHAIGCD LFFDIHGDED LPYVFAAGSE XLPGFTEQQR DATA SEQUENCE VEQSAFIDSF KRASPDFQDE HGYPPGKYRE DAFKLASKYI GHRFGCLSLT DATA SEQUENCE LEXPFKDNAN LPDEHIGWNG ARSASLGAAX LGAILEHVRA F VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -7 H HA 0.000 nan 4.556 nan 0.000 0.296 -7 H C 0.000 175.439 175.328 0.185 0.000 0.993 -7 H CA 0.000 56.138 56.048 0.150 0.000 1.023 -7 H CB 0.000 29.895 29.762 0.222 0.000 1.292 -6 E N -0.959 119.386 120.200 0.242 0.000 4.280 -6 E HA -0.172 4.177 4.350 -0.000 0.000 0.363 -6 E C -0.509 176.158 176.600 0.110 0.000 0.588 -6 E CA 0.856 57.349 56.400 0.155 0.000 1.520 -6 E CB -1.387 28.401 29.700 0.146 0.000 1.861 -6 E HN 0.417 nan 8.360 nan 0.000 0.402 -5 N N 1.108 119.877 118.700 0.115 0.000 2.417 -5 N HA 0.321 5.061 4.740 -0.000 0.000 0.274 -5 N C 1.443 176.893 175.510 -0.099 0.000 0.987 -5 N CA -0.184 52.821 53.050 -0.075 0.000 0.912 -5 N CB 1.153 39.429 38.487 -0.352 0.000 1.177 -5 N HN -0.008 nan 8.380 nan 0.000 0.490 -4 L N 1.632 122.821 121.223 -0.057 0.000 2.103 -4 L HA -0.282 4.058 4.340 -0.000 0.000 0.215 -4 L C 1.885 178.739 176.870 -0.026 0.000 1.080 -4 L CA 1.703 56.532 54.840 -0.019 0.000 0.764 -4 L CB -0.433 41.622 42.059 -0.006 0.000 0.890 -4 L HN 0.602 nan 8.230 nan 0.000 0.435 -3 Y N 0.048 120.172 120.300 -0.294 0.000 2.224 -3 Y HA -0.230 4.320 4.550 -0.000 0.000 0.289 -3 Y C 2.178 177.962 175.900 -0.194 0.000 1.146 -3 Y CA 1.439 59.355 58.100 -0.307 0.000 1.182 -3 Y CB -0.173 37.999 38.460 -0.479 0.000 0.983 -3 Y HN 0.019 nan 8.280 nan 0.000 0.524 -2 F N -0.119 119.846 119.950 0.024 0.000 2.615 -2 F HA 0.082 4.609 4.527 -0.000 0.000 0.297 -2 F C 1.475 177.256 175.800 -0.033 0.000 1.124 -2 F CA -0.103 57.831 58.000 -0.111 0.000 1.451 -2 F CB -1.280 37.547 39.000 -0.288 0.000 1.103 -2 F HN -0.041 nan 8.300 nan 0.000 0.569 -1 Q N 0.122 120.012 119.800 0.149 0.000 2.479 -1 Q HA 0.384 4.724 4.340 -0.000 0.000 0.267 -1 Q C 0.797 176.840 176.000 0.073 0.000 1.071 -1 Q CA 0.897 56.778 55.803 0.130 0.000 0.935 -1 Q CB 0.413 29.200 28.738 0.082 0.000 1.295 -1 Q HN 0.454 nan 8.270 nan 0.000 0.476 3 L N 2.079 123.323 121.223 0.035 0.000 2.349 3 L HA 0.749 5.089 4.340 -0.000 0.000 0.275 3 L C 0.557 177.453 176.870 0.043 0.000 1.115 3 L CA -0.343 54.526 54.840 0.048 0.000 0.820 3 L CB 1.281 43.366 42.059 0.044 0.000 1.135 3 L HN 0.582 nan 8.230 nan 0.000 0.445 4 S N 3.897 119.633 115.700 0.061 0.000 2.571 4 S HA 0.641 5.111 4.470 -0.000 0.000 0.284 4 S C -0.869 173.783 174.600 0.087 0.000 1.128 4 S CA -0.567 57.667 58.200 0.057 0.000 0.970 4 S CB 1.077 64.310 63.200 0.054 0.000 1.039 4 S HN 0.446 nan 8.310 nan 0.000 0.485 5 I N 4.304 124.917 120.570 0.071 0.000 2.404 5 I HA 0.480 4.650 4.170 -0.000 0.000 0.293 5 I C 0.115 176.291 176.117 0.099 0.000 0.992 5 I CA -0.253 61.114 61.300 0.111 0.000 1.149 5 I CB 2.182 40.190 38.000 0.013 0.000 1.315 5 I HN 0.771 nan 8.210 nan 0.000 0.446 6 T N 0.759 115.414 114.554 0.168 0.000 2.906 6 T HA 0.597 4.946 4.350 -0.000 0.000 0.295 6 T C -0.004 174.806 174.700 0.184 0.000 1.075 6 T CA -0.510 61.679 62.100 0.148 0.000 1.005 6 T CB 1.833 70.798 68.868 0.163 0.000 1.136 6 T HN 0.562 nan 8.240 nan 0.000 0.498 7 S N -0.426 115.269 115.700 -0.009 0.000 3.004 7 S HA 0.186 4.656 4.470 -0.000 0.000 0.244 7 S C -0.170 174.024 174.600 -0.678 0.000 0.870 7 S CA -0.565 57.368 58.200 -0.445 0.000 1.267 7 S CB -0.563 62.536 63.200 -0.168 0.000 1.208 7 S HN 0.645 nan 8.310 nan 0.000 0.624 8 N N 2.370 120.897 118.700 -0.287 0.000 2.968 8 N HA 0.482 5.221 4.740 -0.000 0.000 0.271 8 N C -0.872 174.630 175.510 -0.013 0.000 1.174 8 N CA -0.296 52.665 53.050 -0.148 0.000 1.096 8 N CB -0.764 37.720 38.487 -0.005 0.000 1.403 8 N HN 0.603 nan 8.380 nan 0.000 0.522 9 F N -1.404 118.574 119.950 0.046 0.000 2.773 9 F HA 0.347 4.874 4.527 -0.000 0.000 0.314 9 F C -0.225 175.613 175.800 0.062 0.000 1.160 9 F CA -1.609 56.419 58.000 0.047 0.000 0.920 9 F CB 0.228 39.254 39.000 0.044 0.000 1.323 9 F HN -0.124 nan 8.300 nan 0.000 0.457 10 D N 1.394 122.021 120.400 0.379 0.000 2.570 10 D HA 0.275 4.915 4.640 -0.000 0.000 0.243 10 D C 1.006 177.568 176.300 0.436 0.000 1.171 10 D CA 2.064 56.246 54.000 0.304 0.000 0.879 10 D CB 0.646 41.610 40.800 0.273 0.000 1.143 10 D HN 1.502 nan 8.370 nan 0.000 0.511 11 A N 2.345 125.357 122.820 0.320 0.000 3.201 11 A HA -0.101 4.218 4.320 -0.000 0.000 0.260 11 A C 1.059 179.005 177.584 0.603 0.000 1.222 11 A CA 1.044 53.349 52.037 0.446 0.000 1.124 11 A CB -2.036 17.317 19.000 0.588 0.000 1.155 11 A HN 0.889 nan 8.150 nan 0.000 0.924 12 G N -0.906 107.977 108.800 0.139 0.000 2.441 12 G HA2 0.677 4.637 3.960 -0.000 0.000 0.243 12 G HA3 0.677 4.637 3.960 -0.000 0.000 0.243 12 G C 0.028 175.019 174.900 0.152 0.000 1.281 12 G CA 0.488 45.481 45.100 -0.179 0.000 0.854 12 G HN 2.204 nan 8.290 nan 0.000 0.560 13 A N 1.239 124.244 122.820 0.309 0.000 2.511 13 A HA 0.601 4.921 4.320 -0.000 0.000 0.292 13 A C -1.262 176.540 177.584 0.364 0.000 1.045 13 A CA -0.332 51.914 52.037 0.348 0.000 0.870 13 A CB 1.054 20.368 19.000 0.523 0.000 1.361 13 A HN 1.235 nan 8.150 nan 0.000 0.396 14 I N 1.126 121.820 120.570 0.207 0.000 2.842 14 I HA 0.495 4.665 4.170 -0.000 0.000 0.296 14 I C -2.071 174.049 176.117 0.005 0.000 1.538 14 I CA -0.228 61.138 61.300 0.110 0.000 0.994 14 I CB 2.318 40.292 38.000 -0.042 0.000 1.372 14 I HN 0.576 nan 8.210 nan 0.000 0.478 15 D N 4.909 125.280 120.400 -0.047 0.000 2.308 15 D HA 0.515 5.155 4.640 -0.000 0.000 0.242 15 D C -0.961 175.242 176.300 -0.161 0.000 1.059 15 D CA -0.016 53.941 54.000 -0.072 0.000 0.830 15 D CB 2.472 43.252 40.800 -0.034 0.000 1.161 15 D HN 0.175 nan 8.370 nan 0.000 0.494 16 V N 3.296 123.120 119.914 -0.151 0.000 2.364 16 V HA 0.098 4.218 4.120 -0.000 0.000 0.272 16 V C 1.385 177.398 176.094 -0.136 0.000 1.036 16 V CA -0.453 61.736 62.300 -0.186 0.000 0.880 16 V CB 1.475 33.204 31.823 -0.157 0.000 0.991 16 V HN 0.399 nan 8.190 nan 0.000 0.460 17 V N 3.214 123.037 119.914 -0.152 0.000 2.500 17 V HA 0.106 4.226 4.120 -0.000 0.000 0.243 17 V C 0.911 176.947 176.094 -0.097 0.000 1.039 17 V CA 1.400 63.634 62.300 -0.110 0.000 1.053 17 V CB 0.669 32.424 31.823 -0.112 0.000 0.695 17 V HN 0.820 nan 8.190 nan 0.000 0.463 18 S N -2.225 113.404 115.700 -0.118 0.000 2.543 18 S HA 0.380 4.849 4.470 -0.000 0.000 0.273 18 S C -1.238 173.303 174.600 -0.099 0.000 1.152 18 S CA -0.342 57.803 58.200 -0.092 0.000 0.910 18 S CB 1.658 64.812 63.200 -0.076 0.000 1.105 18 S HN 0.163 nan 8.310 nan 0.000 0.465 19 C N 3.611 122.869 119.300 -0.070 0.000 3.236 19 C HA 0.736 5.196 4.460 -0.000 0.000 0.208 19 C C 1.004 175.976 174.990 -0.030 0.000 1.879 19 C CA 0.590 59.574 59.018 -0.057 0.000 1.262 19 C CB -0.554 27.151 27.740 -0.059 0.000 2.186 19 C HN 1.024 nan 8.230 nan 0.000 0.552 20 E N 0.614 120.797 120.200 -0.028 0.000 2.134 20 E HA 0.518 4.867 4.350 -0.000 0.000 0.194 20 E C 1.269 177.863 176.600 -0.009 0.000 0.937 20 E CA 0.999 57.389 56.400 -0.016 0.000 0.874 20 E CB -0.074 29.616 29.700 -0.018 0.000 0.853 20 E HN 0.798 nan 8.360 nan 0.000 0.471 21 R N 0.313 120.805 120.500 -0.013 0.000 2.368 21 R HA 0.790 5.130 4.340 -0.000 0.000 0.302 21 R C 1.414 177.711 176.300 -0.006 0.000 1.002 21 R CA 0.294 56.389 56.100 -0.007 0.000 0.929 21 R CB 0.499 30.793 30.300 -0.010 0.000 1.073 21 R HN 0.830 nan 8.270 nan 0.000 0.464 22 A N 1.035 123.858 122.820 0.006 0.000 1.969 22 A HA -0.106 4.213 4.320 -0.000 0.000 0.218 22 A C 1.263 178.851 177.584 0.006 0.000 1.169 22 A CA 1.628 53.674 52.037 0.014 0.000 0.635 22 A CB -0.100 18.916 19.000 0.027 0.000 0.810 22 A HN 0.906 nan 8.150 nan 0.000 0.445 23 D N -0.876 119.523 120.400 -0.001 0.000 2.324 23 D HA 0.327 4.967 4.640 -0.000 0.000 0.235 23 D C 0.494 176.783 176.300 -0.018 0.000 1.095 23 D CA 0.790 54.787 54.000 -0.005 0.000 0.871 23 D CB -0.099 40.699 40.800 -0.002 0.000 0.906 23 D HN 0.303 nan 8.370 nan 0.000 0.522 24 A N 0.510 123.314 122.820 -0.027 0.000 2.843 24 A HA 0.354 4.674 4.320 -0.000 0.000 0.248 24 A C -0.100 177.445 177.584 -0.064 0.000 0.904 24 A CA -0.609 51.402 52.037 -0.042 0.000 1.091 24 A CB -0.356 18.623 19.000 -0.034 0.000 1.208 24 A HN 0.167 nan 8.150 nan 0.000 0.476 25 I N 1.800 122.323 120.570 -0.079 0.000 2.416 25 I HA 0.273 4.443 4.170 -0.000 0.000 0.288 25 I C -0.002 176.004 176.117 -0.185 0.000 1.051 25 I CA -0.227 61.000 61.300 -0.122 0.000 1.375 25 I CB 0.693 38.623 38.000 -0.118 0.000 1.407 25 I HN 0.213 nan 8.210 nan 0.000 0.516 26 R N 7.834 128.214 120.500 -0.200 0.000 2.437 26 R HA 0.714 5.054 4.340 -0.000 0.000 0.310 26 R C -0.927 175.185 176.300 -0.314 0.000 0.955 26 R CA -0.704 55.256 56.100 -0.233 0.000 0.851 26 R CB 1.665 31.873 30.300 -0.154 0.000 1.161 26 R HN 0.567 nan 8.270 nan 0.000 0.446 27 L N 2.062 123.020 121.223 -0.442 0.000 2.303 27 L HA 0.668 5.008 4.340 -0.000 0.000 0.256 27 L C -0.024 176.626 176.870 -0.366 0.000 1.034 27 L CA -1.167 53.349 54.840 -0.541 0.000 0.832 27 L CB 2.186 43.610 42.059 -1.058 0.000 1.403 27 L HN 0.362 nan 8.230 nan 0.000 0.419 28 R N -0.146 120.210 120.500 -0.240 0.000 2.673 28 R HA 0.524 4.864 4.340 -0.000 0.000 0.281 28 R C -1.372 174.963 176.300 0.058 0.000 0.991 28 R CA -0.918 55.149 56.100 -0.054 0.000 0.896 28 R CB 2.522 32.803 30.300 -0.032 0.000 1.201 28 R HN 0.212 nan 8.270 nan 0.000 0.457 29 V N 3.711 123.733 119.914 0.180 0.000 2.540 29 V HA -0.030 4.090 4.120 -0.000 0.000 0.297 29 V C 1.776 177.973 176.094 0.171 0.000 1.024 29 V CA 0.446 62.883 62.300 0.230 0.000 1.105 29 V CB 0.803 32.765 31.823 0.231 0.000 0.938 29 V HN 0.755 nan 8.190 nan 0.000 0.482 30 R N 3.251 123.867 120.500 0.193 0.000 2.090 30 R HA 0.142 4.482 4.340 -0.000 0.000 0.228 30 R C 0.950 177.342 176.300 0.153 0.000 1.110 30 R CA 1.086 57.277 56.100 0.152 0.000 0.973 30 R CB -0.121 30.282 30.300 0.171 0.000 0.869 30 R HN 1.130 nan 8.270 nan 0.000 0.440 31 G N 1.104 110.023 108.800 0.199 0.000 2.746 31 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.685 31 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.685 31 G C -1.379 173.631 174.900 0.182 0.000 1.350 31 G CA -0.291 44.919 45.100 0.183 0.000 0.837 31 G HN 0.376 nan 8.290 nan 0.000 0.564 32 D N 0.373 120.878 120.400 0.175 0.000 2.382 32 D HA 0.192 4.832 4.640 -0.000 0.000 0.240 32 D C 1.920 178.278 176.300 0.097 0.000 1.146 32 D CA 0.157 54.246 54.000 0.148 0.000 0.897 32 D CB 0.537 41.433 40.800 0.160 0.000 1.197 32 D HN 0.578 nan 8.370 nan 0.000 0.432 33 N N 1.539 120.271 118.700 0.053 0.000 2.244 33 N HA -0.209 4.531 4.740 -0.000 0.000 0.183 33 N C 0.255 175.765 175.510 -0.001 0.000 1.016 33 N CA 1.013 54.078 53.050 0.025 0.000 0.866 33 N CB 0.202 38.658 38.487 -0.051 0.000 0.980 33 N HN 0.309 nan 8.380 nan 0.000 0.430 34 R N -0.077 120.413 120.500 -0.017 0.000 2.772 34 R HA 0.266 4.606 4.340 -0.000 0.000 0.358 34 R C -0.819 175.484 176.300 0.004 0.000 1.143 34 R CA -0.178 55.916 56.100 -0.010 0.000 1.153 34 R CB 0.634 30.917 30.300 -0.028 0.000 1.329 34 R HN 0.178 nan 8.270 nan 0.000 0.615 35 S N -1.130 114.581 115.700 0.019 0.000 2.537 35 S HA 0.071 4.541 4.470 -0.000 0.000 0.271 35 S C 0.442 175.025 174.600 -0.030 0.000 1.148 35 S CA -0.540 57.661 58.200 0.002 0.000 0.868 35 S CB 1.982 65.250 63.200 0.112 0.000 1.115 35 S HN 0.045 nan 8.310 nan 0.000 0.461 36 E N 1.644 121.751 120.200 -0.155 0.000 2.338 36 E HA 0.141 4.490 4.350 -0.000 0.000 0.197 36 E C -0.065 176.467 176.600 -0.113 0.000 1.007 36 E CA 0.513 56.821 56.400 -0.154 0.000 0.849 36 E CB -0.411 29.163 29.700 -0.209 0.000 0.774 36 E HN 0.532 nan 8.360 nan 0.000 0.506 37 F N 0.771 120.711 119.950 -0.016 0.000 2.607 37 F HA 0.342 4.869 4.527 -0.000 0.000 0.374 37 F C 0.756 176.566 175.800 0.017 0.000 1.104 37 F CA -0.057 57.928 58.000 -0.025 0.000 1.296 37 F CB 0.355 39.342 39.000 -0.021 0.000 1.085 37 F HN 0.018 nan 8.300 nan 0.000 0.584 38 A N 3.391 126.344 122.820 0.222 0.000 2.437 38 A HA 0.640 4.960 4.320 -0.000 0.000 0.293 38 A C -0.137 177.534 177.584 0.144 0.000 1.038 38 A CA -0.290 51.854 52.037 0.179 0.000 0.708 38 A CB 1.849 20.936 19.000 0.145 0.000 1.251 38 A HN 0.726 nan 8.150 nan 0.000 0.409 39 Q N 1.231 121.120 119.800 0.148 0.000 2.135 39 Q HA 0.066 4.406 4.340 -0.000 0.000 0.175 39 Q C -0.238 175.753 176.000 -0.015 0.000 0.703 39 Q CA -0.170 55.635 55.803 0.003 0.000 0.834 39 Q CB 0.178 28.780 28.738 -0.227 0.000 1.229 39 Q HN 0.837 nan 8.270 nan 0.000 0.388 40 W N 3.231 124.519 121.300 -0.019 0.000 2.210 40 W HA 0.397 5.057 4.660 -0.000 0.000 0.330 40 W C -1.038 175.661 176.519 0.299 0.000 1.334 40 W CA 0.413 57.808 57.345 0.083 0.000 1.227 40 W CB 0.138 29.704 29.460 0.177 0.000 1.178 40 W HN 0.170 nan 8.180 nan 0.000 0.560 41 F N 5.882 125.522 119.950 -0.517 0.000 2.613 41 F HA 0.697 5.223 4.527 -0.000 0.000 0.314 41 F C -2.162 173.512 175.800 -0.209 0.000 1.075 41 F CA -1.543 56.390 58.000 -0.112 0.000 0.945 41 F CB 1.441 40.589 39.000 0.247 0.000 1.310 41 F HN 0.248 nan 8.300 nan 0.000 0.467 42 Y N 4.003 124.525 120.300 0.370 0.000 2.264 42 Y HA 0.522 5.072 4.550 -0.000 0.000 0.315 42 Y C -2.309 174.007 175.900 0.695 0.000 1.262 42 Y CA -2.428 55.929 58.100 0.429 0.000 1.176 42 Y CB 1.171 39.950 38.460 0.531 0.000 1.283 42 Y HN 0.872 nan 8.280 nan 0.000 0.405 43 F N 3.722 124.113 119.950 0.735 0.000 2.686 43 F HA 0.775 5.302 4.527 -0.000 0.000 0.311 43 F C -1.462 174.573 175.800 0.391 0.000 1.128 43 F CA -1.330 56.964 58.000 0.489 0.000 0.946 43 F CB 1.552 40.748 39.000 0.327 0.000 1.336 43 F HN 0.469 nan 8.300 nan 0.000 0.457 44 R N 2.173 122.889 120.500 0.359 0.000 2.460 44 R HA 0.781 5.121 4.340 -0.000 0.000 0.303 44 R C -2.082 174.329 176.300 0.184 0.000 0.968 44 R CA -0.825 55.188 56.100 -0.145 0.000 0.889 44 R CB 1.724 31.784 30.300 -0.401 0.000 1.123 44 R HN 0.909 nan 8.270 nan 0.000 0.455 45 L N 3.984 125.290 121.223 0.137 0.000 2.349 45 L HA 0.519 4.859 4.340 -0.000 0.000 0.278 45 L C -0.978 175.978 176.870 0.144 0.000 0.996 45 L CA 0.038 55.023 54.840 0.242 0.000 0.825 45 L CB 2.020 44.324 42.059 0.409 0.000 1.243 45 L HN 0.912 nan 8.230 nan 0.000 0.412 46 T N 0.546 115.175 114.554 0.125 0.000 2.930 46 T HA 0.735 5.084 4.350 -0.000 0.000 0.290 46 T C 0.630 175.393 174.700 0.106 0.000 1.052 46 T CA -0.180 61.984 62.100 0.106 0.000 1.017 46 T CB 1.654 70.569 68.868 0.077 0.000 1.137 46 T HN 1.549 nan 8.240 nan 0.000 0.511 47 G N 0.017 108.880 108.800 0.105 0.000 2.176 47 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.253 47 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.253 47 G C 0.618 175.578 174.900 0.100 0.000 0.979 47 G CA 0.013 45.172 45.100 0.099 0.000 0.641 47 G HN 1.613 nan 8.290 nan 0.000 0.530 48 A N -0.148 122.739 122.820 0.111 0.000 2.500 48 A HA 0.636 4.956 4.320 -0.000 0.000 0.267 48 A C 1.096 178.724 177.584 0.074 0.000 1.290 48 A CA 0.870 52.965 52.037 0.097 0.000 0.928 48 A CB -0.030 19.049 19.000 0.131 0.000 1.066 48 A HN 0.603 nan 8.150 nan 0.000 0.516 49 R N 0.373 120.911 120.500 0.063 0.000 2.485 49 R HA 0.209 4.549 4.340 -0.000 0.000 0.304 49 R C 1.290 177.566 176.300 -0.041 0.000 0.934 49 R CA 1.389 57.490 56.100 0.002 0.000 1.102 49 R CB -0.219 30.070 30.300 -0.019 0.000 0.906 49 R HN 0.909 nan 8.270 nan 0.000 0.407 50 G N 2.841 111.596 108.800 -0.076 0.000 2.189 50 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.267 50 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.267 50 G C -0.308 174.564 174.900 -0.046 0.000 0.975 50 G CA 0.455 45.507 45.100 -0.081 0.000 0.644 50 G HN 0.611 nan 8.290 nan 0.000 0.537 51 E N 0.037 120.226 120.200 -0.019 0.000 2.216 51 E HA 0.392 4.741 4.350 -0.000 0.000 0.279 51 E C 0.544 177.142 176.600 -0.004 0.000 0.997 51 E CA -0.901 55.497 56.400 -0.003 0.000 0.817 51 E CB 1.205 30.917 29.700 0.020 0.000 1.096 51 E HN 0.461 nan 8.360 nan 0.000 0.393 52 R N 2.093 122.590 120.500 -0.004 0.000 2.370 52 R HA 0.164 4.504 4.340 -0.000 0.000 0.309 52 R C -0.978 175.336 176.300 0.024 0.000 1.059 52 R CA -0.097 56.005 56.100 0.003 0.000 0.981 52 R CB 0.071 30.373 30.300 0.004 0.000 0.972 52 R HN 0.412 nan 8.270 nan 0.000 0.437 53 C N 5.373 124.700 119.300 0.045 0.000 2.303 53 C HA 0.529 4.989 4.460 -0.000 0.000 0.326 53 C C 0.166 175.182 174.990 0.043 0.000 1.285 53 C CA -0.698 58.354 59.018 0.056 0.000 1.675 53 C CB 0.812 28.617 27.740 0.108 0.000 2.289 53 C HN 0.623 nan 8.230 nan 0.000 0.512 57 F N 2.543 122.352 119.950 -0.234 0.000 2.350 57 F HA 0.371 4.898 4.527 -0.000 0.000 0.365 57 F C 1.719 177.406 175.800 -0.188 0.000 1.122 57 F CA -0.866 56.975 58.000 -0.266 0.000 1.139 57 F CB 0.881 39.627 39.000 -0.423 0.000 1.220 57 F HN 0.646 nan 8.300 nan 0.000 0.499 58 E N 1.472 121.660 120.200 -0.020 0.000 2.106 58 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 58 E C 1.203 177.812 176.600 0.016 0.000 0.984 58 E CA 1.132 57.523 56.400 -0.015 0.000 0.806 58 E CB -0.021 29.655 29.700 -0.040 0.000 0.750 58 E HN 0.539 nan 8.360 nan 0.000 0.458 59 N N 0.538 119.257 118.700 0.031 0.000 2.322 59 N HA 0.120 4.860 4.740 -0.000 0.000 0.216 59 N C 1.053 176.615 175.510 0.087 0.000 1.144 59 N CA 0.552 53.635 53.050 0.055 0.000 0.830 59 N CB 0.229 38.748 38.487 0.054 0.000 1.034 59 N HN 0.023 nan 8.380 nan 0.000 0.484 60 A N 2.371 125.220 122.820 0.048 0.000 1.892 60 A HA -0.297 4.022 4.320 -0.000 0.000 0.218 60 A C 2.034 179.808 177.584 0.317 0.000 1.188 60 A CA 1.867 53.906 52.037 0.004 0.000 0.631 60 A CB -0.811 17.987 19.000 -0.337 0.000 0.822 60 A HN 0.611 nan 8.150 nan 0.000 0.447 61 N N -0.192 118.688 118.700 0.299 0.000 2.512 61 N HA -0.099 4.641 4.740 -0.000 0.000 0.183 61 N C 0.216 175.837 175.510 0.185 0.000 1.073 61 N CA 1.360 54.594 53.050 0.306 0.000 0.911 61 N CB -0.553 38.079 38.487 0.241 0.000 0.964 61 N HN 0.409 nan 8.380 nan 0.000 0.447 62 D N 0.058 120.544 120.400 0.144 0.000 2.340 62 D HA 0.082 4.722 4.640 -0.000 0.000 0.220 62 D C 0.171 176.522 176.300 0.085 0.000 1.039 62 D CA -0.051 54.002 54.000 0.088 0.000 0.866 62 D CB -0.028 40.810 40.800 0.063 0.000 0.913 62 D HN 0.232 nan 8.370 nan 0.000 0.523 63 C N 0.488 119.873 119.300 0.142 0.000 2.553 63 C HA 0.402 4.861 4.460 -0.000 0.000 0.345 63 C C 2.435 177.412 174.990 -0.021 0.000 1.369 63 C CA -0.350 58.734 59.018 0.110 0.000 2.447 63 C CB 1.007 28.890 27.740 0.237 0.000 2.358 63 C HN 0.326 nan 8.230 nan 0.000 0.676 64 A N 0.337 123.109 122.820 -0.080 0.000 1.892 64 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 64 A C 0.425 177.615 177.584 -0.658 0.000 1.188 64 A CA 1.765 53.607 52.037 -0.326 0.000 0.631 64 A CB -0.519 18.316 19.000 -0.275 0.000 0.822 64 A HN 0.878 nan 8.150 nan 0.000 0.447 65 Y N -1.662 118.521 120.300 -0.196 0.000 2.705 65 Y HA 0.357 4.907 4.550 -0.000 0.000 0.355 65 Y C -2.101 173.549 175.900 -0.415 0.000 1.039 65 Y CA -2.151 55.796 58.100 -0.255 0.000 1.233 65 Y CB 0.991 39.286 38.460 -0.275 0.000 1.103 65 Y HN 0.168 nan 8.280 nan 0.000 0.624 66 P HA -0.196 nan 4.420 nan 0.000 0.219 66 P C 1.502 178.710 177.300 -0.153 0.000 1.146 66 P CA 1.659 64.697 63.100 -0.103 0.000 0.808 66 P CB 0.398 32.195 31.700 0.162 0.000 0.779 67 A N 0.039 122.828 122.820 -0.053 0.000 2.019 67 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 67 A C 2.407 179.919 177.584 -0.120 0.000 1.164 67 A CA 1.746 53.780 52.037 -0.005 0.000 0.644 67 A CB -1.815 17.218 19.000 0.055 0.000 0.805 67 A HN 0.292 nan 8.150 nan 0.000 0.449 68 G N -1.698 106.908 108.800 -0.324 0.000 2.498 68 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.219 68 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.219 68 G C 1.211 175.841 174.900 -0.450 0.000 1.119 68 G CA 0.700 45.537 45.100 -0.438 0.000 0.766 68 G HN 0.772 nan 8.290 nan 0.000 0.552 69 W N 0.353 121.474 121.300 -0.298 0.000 3.003 69 W HA 0.326 4.986 4.660 -0.000 0.000 0.257 69 W C 1.116 177.549 176.519 -0.143 0.000 1.308 69 W CA -0.999 56.094 57.345 -0.421 0.000 1.529 69 W CB 0.473 29.232 29.460 -1.168 0.000 1.115 69 W HN -0.118 nan 8.180 nan 0.000 0.659 70 R N 2.156 122.747 120.500 0.152 0.000 2.340 70 R HA 0.022 4.361 4.340 -0.000 0.000 0.300 70 R C -0.104 176.330 176.300 0.224 0.000 1.069 70 R CA -0.002 56.255 56.100 0.262 0.000 0.984 70 R CB 0.273 30.712 30.300 0.232 0.000 1.003 70 R HN 0.068 nan 8.270 nan 0.000 0.459 71 D N 1.223 121.755 120.400 0.221 0.000 2.751 71 D HA -0.268 4.371 4.640 -0.000 0.000 0.233 71 D C -0.835 175.586 176.300 0.201 0.000 1.149 71 D CA 1.304 55.404 54.000 0.166 0.000 0.682 71 D CB -1.024 39.837 40.800 0.102 0.000 1.068 71 D HN 0.479 nan 8.370 nan 0.000 0.429 72 Y N 0.285 120.679 120.300 0.156 0.000 2.409 72 Y HA 0.544 5.094 4.550 -0.000 0.000 0.339 72 Y C -0.085 175.929 175.900 0.189 0.000 1.033 72 Y CA -0.937 57.276 58.100 0.188 0.000 1.094 72 Y CB 1.148 39.774 38.460 0.277 0.000 1.210 72 Y HN -0.185 nan 8.280 nan 0.000 0.456 73 R N 3.758 123.760 120.500 -0.830 0.000 2.534 73 R HA 0.730 5.070 4.340 -0.000 0.000 0.301 73 R C -0.754 174.995 176.300 -0.919 0.000 0.961 73 R CA -0.873 54.858 56.100 -0.616 0.000 0.871 73 R CB 1.787 31.935 30.300 -0.254 0.000 1.170 73 R HN 0.863 nan 8.270 nan 0.000 0.446 74 A N 2.231 124.867 122.820 -0.306 0.000 2.406 74 A HA 0.353 4.673 4.320 -0.000 0.000 0.243 74 A C 0.184 177.758 177.584 -0.016 0.000 1.082 74 A CA -0.417 51.691 52.037 0.118 0.000 0.786 74 A CB 0.334 19.561 19.000 0.378 0.000 1.029 74 A HN 0.551 nan 8.150 nan 0.000 0.495 75 V N -1.643 118.297 119.914 0.043 0.000 2.630 75 V HA 0.923 5.043 4.120 -0.000 0.000 0.305 75 V C 0.103 176.194 176.094 -0.004 0.000 1.046 75 V CA -0.148 62.106 62.300 -0.076 0.000 0.934 75 V CB 0.993 32.723 31.823 -0.155 0.000 1.003 75 V HN 1.802 nan 8.190 nan 0.000 0.451 76 A N 2.553 125.115 122.820 -0.430 0.000 2.527 76 A HA 0.957 5.276 4.320 -0.000 0.000 0.293 76 A C -0.439 176.338 177.584 -1.346 0.000 1.117 76 A CA -0.243 51.287 52.037 -0.846 0.000 0.723 76 A CB 2.007 20.335 19.000 -1.121 0.000 1.313 76 A HN 1.812 nan 8.150 nan 0.000 0.411 77 S N -1.010 113.886 115.700 -1.340 0.000 2.543 77 S HA 0.509 4.978 4.470 -0.000 0.000 0.273 77 S C -0.792 173.343 174.600 -0.774 0.000 1.152 77 S CA -0.391 57.064 58.200 -1.242 0.000 0.910 77 S CB 0.511 62.384 63.200 -2.212 0.000 1.105 77 S HN 0.596 nan 8.310 nan 0.000 0.465 78 Y N 2.278 122.469 120.300 -0.182 0.000 2.516 78 Y HA 0.116 4.665 4.550 -0.000 0.000 0.291 78 Y C 1.639 177.446 175.900 -0.155 0.000 1.131 78 Y CA 0.968 59.031 58.100 -0.062 0.000 1.281 78 Y CB 0.197 38.703 38.460 0.077 0.000 1.013 78 Y HN 0.772 nan 8.280 nan 0.000 0.554 79 D N -2.641 117.658 120.400 -0.170 0.000 2.516 79 D HA 0.124 4.764 4.640 -0.000 0.000 0.241 79 D C 0.730 176.873 176.300 -0.262 0.000 1.246 79 D CA -0.206 53.688 54.000 -0.176 0.000 0.808 79 D CB -0.137 40.598 40.800 -0.109 0.000 1.147 79 D HN 0.031 nan 8.370 nan 0.000 0.527 80 R N -0.720 119.498 120.500 -0.469 0.000 3.977 80 R HA -0.160 4.179 4.340 -0.000 0.000 0.428 80 R C 0.479 176.802 176.300 0.038 0.000 1.079 80 R CA 1.043 56.990 56.100 -0.254 0.000 1.269 80 R CB -2.041 28.189 30.300 -0.116 0.000 1.856 80 R HN 0.282 nan 8.270 nan 0.000 0.551 81 V N -0.476 119.378 119.914 -0.100 0.000 2.806 81 V HA 0.034 4.154 4.120 -0.000 0.000 0.239 81 V C 0.459 176.586 176.094 0.055 0.000 1.113 81 V CA 1.219 63.548 62.300 0.048 0.000 1.137 81 V CB 0.166 31.993 31.823 0.006 0.000 0.865 81 V HN 0.254 nan 8.190 nan 0.000 0.482 82 N N -0.323 118.312 118.700 -0.108 0.000 2.417 82 N HA 0.438 5.178 4.740 -0.000 0.000 0.274 82 N C -1.625 173.774 175.510 -0.186 0.000 0.987 82 N CA -0.331 52.702 53.050 -0.029 0.000 0.912 82 N CB 1.011 39.522 38.487 0.040 0.000 1.177 82 N HN 0.260 nan 8.380 nan 0.000 0.490 83 W N 3.066 124.321 121.300 -0.075 0.000 2.573 83 W HA 0.552 5.212 4.660 -0.000 0.000 0.326 83 W C -0.669 175.729 176.519 -0.201 0.000 1.049 83 W CA -0.680 56.523 57.345 -0.235 0.000 1.220 83 W CB 0.776 30.033 29.460 -0.339 0.000 1.373 83 W HN 0.354 nan 8.180 nan 0.000 0.507 84 F N 0.255 120.126 119.950 -0.132 0.000 2.643 84 F HA 0.718 5.245 4.527 -0.000 0.000 0.314 84 F C -0.220 175.432 175.800 -0.245 0.000 1.096 84 F CA -1.962 55.835 58.000 -0.339 0.000 0.953 84 F CB 0.978 39.681 39.000 -0.495 0.000 1.345 84 F HN 0.016 nan 8.300 nan 0.000 0.468 85 R N 1.500 121.920 120.500 -0.133 0.000 2.459 85 R HA 0.687 5.027 4.340 -0.000 0.000 0.281 85 R C -0.594 175.692 176.300 -0.025 0.000 1.050 85 R CA -0.604 55.419 56.100 -0.128 0.000 1.055 85 R CB 1.841 32.076 30.300 -0.109 0.000 1.045 85 R HN 0.807 nan 8.270 nan 0.000 0.495 86 V N -0.644 119.229 119.914 -0.069 0.000 3.074 86 V HA 0.613 4.733 4.120 -0.000 0.000 0.314 86 V C -2.577 173.530 176.094 0.022 0.000 1.117 86 V CA -3.067 59.217 62.300 -0.026 0.000 1.014 86 V CB 2.014 33.725 31.823 -0.186 0.000 1.057 86 V HN 0.511 nan 8.190 nan 0.000 0.438 87 P HA 0.429 nan 4.420 nan 0.000 0.271 87 P C -0.568 176.778 177.300 0.076 0.000 1.220 87 P CA 0.489 63.640 63.100 0.086 0.000 0.768 87 P CB 0.528 32.299 31.700 0.119 0.000 0.848 88 T N 1.159 115.754 114.554 0.069 0.000 2.956 88 T HA 0.601 4.950 4.350 -0.000 0.000 0.312 88 T C -0.721 174.050 174.700 0.118 0.000 1.151 88 T CA -0.710 61.443 62.100 0.088 0.000 1.024 88 T CB 1.411 70.328 68.868 0.083 0.000 1.140 88 T HN 0.393 nan 8.240 nan 0.000 0.473 89 S N 1.592 117.373 115.700 0.134 0.000 2.627 89 S HA 0.839 5.309 4.470 -0.000 0.000 0.283 89 S C -1.885 172.856 174.600 0.235 0.000 1.127 89 S CA -0.897 57.402 58.200 0.165 0.000 0.863 89 S CB 2.191 65.458 63.200 0.111 0.000 1.121 89 S HN 0.752 nan 8.310 nan 0.000 0.479 90 Y N 1.627 121.977 120.300 0.084 0.000 2.396 90 Y HA 0.450 5.000 4.550 -0.000 0.000 0.332 90 Y C -0.826 175.118 175.900 0.073 0.000 1.034 90 Y CA -1.176 56.971 58.100 0.080 0.000 1.057 90 Y CB 1.827 40.387 38.460 0.166 0.000 1.220 90 Y HN 0.891 nan 8.280 nan 0.000 0.440 91 D N 2.256 122.425 120.400 -0.384 0.000 2.402 91 D HA 0.279 4.919 4.640 -0.000 0.000 0.216 91 D C 1.468 177.469 176.300 -0.498 0.000 1.128 91 D CA 0.477 54.283 54.000 -0.323 0.000 0.833 91 D CB 0.333 41.034 40.800 -0.165 0.000 0.971 91 D HN 0.992 nan 8.370 nan 0.000 0.503 92 G N -0.395 107.731 108.800 -1.124 0.000 2.217 92 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.246 92 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.246 92 G C 0.253 174.929 174.900 -0.373 0.000 0.990 92 G CA 0.159 44.835 45.100 -0.706 0.000 0.627 92 G HN 0.468 nan 8.290 nan 0.000 0.522 96 T N 5.625 120.222 114.554 0.072 0.000 2.840 96 T HA 0.658 5.007 4.350 -0.000 0.000 0.287 96 T C -0.328 174.420 174.700 0.081 0.000 0.991 96 T CA -0.209 61.940 62.100 0.081 0.000 0.964 96 T CB 1.040 69.940 68.868 0.053 0.000 0.954 96 T HN 0.424 nan 8.240 nan 0.000 0.438 97 I N 3.053 123.674 120.570 0.085 0.000 2.331 97 I HA 0.337 4.507 4.170 -0.000 0.000 0.292 97 I C -0.174 175.974 176.117 0.051 0.000 0.998 97 I CA -0.495 60.836 61.300 0.051 0.000 1.267 97 I CB 1.057 39.044 38.000 -0.023 0.000 1.386 97 I HN 0.495 nan 8.210 nan 0.000 0.476 98 D N 6.923 127.378 120.400 0.091 0.000 2.454 98 D HA 0.304 4.944 4.640 -0.000 0.000 0.247 98 D C -1.134 175.285 176.300 0.199 0.000 1.129 98 D CA -0.035 54.030 54.000 0.108 0.000 0.877 98 D CB 0.758 41.608 40.800 0.083 0.000 1.082 98 D HN 0.555 nan 8.370 nan 0.000 0.537 99 H N 1.651 120.769 119.070 0.079 0.000 3.046 99 H HA 0.342 4.898 4.556 -0.000 0.000 0.363 99 H C -1.293 174.127 175.328 0.152 0.000 1.203 99 H CA -0.475 55.658 56.048 0.142 0.000 1.169 99 H CB 2.070 31.963 29.762 0.219 0.000 1.851 99 H HN 0.129 nan 8.280 nan 0.000 0.546 100 T N 6.487 120.748 114.554 -0.488 0.000 2.874 100 T HA 0.255 4.605 4.350 -0.000 0.000 0.321 100 T C -2.562 171.872 174.700 -0.444 0.000 1.075 100 T CA -1.173 60.735 62.100 -0.321 0.000 0.966 100 T CB 0.993 69.765 68.868 -0.161 0.000 1.001 100 T HN 0.353 nan 8.240 nan 0.000 0.476 101 P HA 0.127 nan 4.420 nan 0.000 0.268 101 P C 0.646 177.941 177.300 -0.008 0.000 1.205 101 P CA -0.118 63.045 63.100 0.106 0.000 0.771 101 P CB 0.857 32.715 31.700 0.264 0.000 0.858 102 E N 1.481 121.639 120.200 -0.070 0.000 2.442 102 E HA 0.034 4.383 4.350 -0.000 0.000 0.195 102 E C -0.327 175.627 176.600 -1.075 0.000 1.030 102 E CA 0.381 56.392 56.400 -0.648 0.000 0.869 102 E CB 0.133 29.314 29.700 -0.865 0.000 0.857 102 E HN 0.330 nan 8.360 nan 0.000 0.505 103 F N -0.739 119.110 119.950 -0.167 0.000 2.691 103 F HA 0.262 4.788 4.527 -0.000 0.000 0.334 103 F C 0.989 176.808 175.800 0.031 0.000 1.107 103 F CA -1.044 56.874 58.000 -0.137 0.000 0.991 103 F CB 0.783 39.603 39.000 -0.299 0.000 1.400 103 F HN -0.274 nan 8.300 nan 0.000 0.503 104 D N -0.470 120.083 120.400 0.255 0.000 2.224 104 D HA -0.033 4.606 4.640 -0.000 0.000 0.205 104 D C 0.329 176.734 176.300 0.176 0.000 0.965 104 D CA 1.148 55.253 54.000 0.175 0.000 0.852 104 D CB 0.338 41.223 40.800 0.142 0.000 0.947 104 D HN 0.181 nan 8.370 nan 0.000 0.494 105 S N -0.128 115.701 115.700 0.216 0.000 2.614 105 S HA 0.580 5.049 4.470 -0.000 0.000 0.288 105 S C -1.053 173.692 174.600 0.242 0.000 1.137 105 S CA -0.796 57.509 58.200 0.175 0.000 0.992 105 S CB 1.087 64.358 63.200 0.119 0.000 1.026 105 S HN 0.095 nan 8.310 nan 0.000 0.486 106 I N 3.333 123.974 120.570 0.118 0.000 2.769 106 I HA 0.581 4.750 4.170 -0.000 0.000 0.298 106 I C -1.557 174.418 176.117 -0.238 0.000 1.128 106 I CA -0.708 60.561 61.300 -0.051 0.000 1.031 106 I CB 1.960 39.871 38.000 -0.150 0.000 1.235 106 I HN 0.811 nan 8.210 nan 0.000 0.423 107 H N 4.902 123.695 119.070 -0.462 0.000 2.492 107 H HA 0.546 5.102 4.556 -0.000 0.000 0.345 107 H C -1.603 173.398 175.328 -0.545 0.000 1.136 107 H CA -0.131 55.733 56.048 -0.308 0.000 1.202 107 H CB 1.482 31.224 29.762 -0.032 0.000 1.524 107 H HN 0.312 nan 8.280 nan 0.000 0.506 108 Y N 0.418 120.649 120.300 -0.114 0.000 2.429 108 Y HA 0.698 5.248 4.550 -0.000 0.000 0.342 108 Y C -0.085 175.896 175.900 0.134 0.000 1.004 108 Y CA -0.816 57.228 58.100 -0.094 0.000 1.075 108 Y CB 1.837 40.106 38.460 -0.320 0.000 1.214 108 Y HN 0.778 nan 8.280 nan 0.000 0.455 109 A N 1.005 123.989 122.820 0.273 0.000 2.609 109 A HA 0.412 4.731 4.320 -0.000 0.000 0.291 109 A C -0.939 176.237 177.584 -0.681 0.000 1.096 109 A CA -0.660 51.181 52.037 -0.327 0.000 0.684 109 A CB 0.533 19.174 19.000 -0.599 0.000 1.282 109 A HN 0.720 nan 8.150 nan 0.000 0.412 110 Y N 0.471 119.805 120.300 -1.611 0.000 2.314 110 Y HA 0.358 4.908 4.550 -0.000 0.000 0.293 110 Y C -0.020 175.868 175.900 -0.019 0.000 1.129 110 Y CA 1.066 58.587 58.100 -0.964 0.000 1.201 110 Y CB -0.064 37.746 38.460 -1.083 0.000 0.999 110 Y HN 0.593 nan 8.280 nan 0.000 0.541 111 F N -0.314 119.432 119.950 -0.341 0.000 2.719 111 F HA 0.228 4.755 4.527 -0.000 0.000 0.309 111 F C -0.736 174.862 175.800 -0.336 0.000 1.138 111 F CA -1.552 56.357 58.000 -0.151 0.000 0.943 111 F CB 0.816 39.873 39.000 0.095 0.000 1.304 111 F HN -0.227 nan 8.300 nan 0.000 0.445 112 E N 5.073 124.691 120.200 -0.970 0.000 2.614 112 E HA 0.126 4.475 4.350 -0.000 0.000 0.245 112 E C -2.351 174.110 176.600 -0.231 0.000 1.039 112 E CA -1.182 54.610 56.400 -1.013 0.000 0.948 112 E CB 0.396 29.491 29.700 -1.007 0.000 0.937 112 E HN 0.115 nan 8.360 nan 0.000 0.498 113 P HA 0.039 nan 4.420 nan 0.000 0.274 113 P C -1.447 176.018 177.300 0.275 0.000 1.260 113 P CA 0.026 63.166 63.100 0.065 0.000 0.793 113 P CB 0.312 31.970 31.700 -0.070 0.000 1.048 114 Y N -0.086 120.248 120.300 0.057 0.000 2.301 114 Y HA 0.352 4.901 4.550 -0.000 0.000 0.325 114 Y C -0.276 175.594 175.900 -0.049 0.000 1.103 114 Y CA -0.531 57.481 58.100 -0.146 0.000 1.182 114 Y CB 0.909 39.088 38.460 -0.469 0.000 1.139 114 Y HN 0.388 nan 8.280 nan 0.000 0.443 115 S N 3.218 118.958 115.700 0.067 0.000 2.669 115 S HA 0.208 4.678 4.470 -0.000 0.000 0.270 115 S C 1.037 175.739 174.600 0.171 0.000 1.225 115 S CA -0.412 57.876 58.200 0.146 0.000 0.991 115 S CB 1.504 64.778 63.200 0.123 0.000 0.987 115 S HN 0.786 nan 8.310 nan 0.000 0.552 116 E N 0.796 121.082 120.200 0.144 0.000 2.110 116 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 116 E C 1.530 178.234 176.600 0.172 0.000 0.988 116 E CA 1.365 57.843 56.400 0.131 0.000 0.804 116 E CB -0.257 29.493 29.700 0.083 0.000 0.745 116 E HN 0.755 nan 8.360 nan 0.000 0.458 117 E N 0.441 120.717 120.200 0.128 0.000 2.077 117 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 117 E C 2.259 178.921 176.600 0.103 0.000 0.989 117 E CA 0.657 57.121 56.400 0.108 0.000 0.800 117 E CB -0.372 29.374 29.700 0.077 0.000 0.746 117 E HN 0.253 nan 8.360 nan 0.000 0.452 118 R N 0.176 120.702 120.500 0.043 0.000 2.081 118 R HA -0.191 4.148 4.340 -0.000 0.000 0.235 118 R C 2.384 178.779 176.300 0.158 0.000 1.131 118 R CA 1.803 57.870 56.100 -0.054 0.000 0.960 118 R CB -0.296 29.720 30.300 -0.473 0.000 0.856 118 R HN 0.253 nan 8.270 nan 0.000 0.436 119 H N -0.409 118.787 119.070 0.210 0.000 2.321 119 H HA 0.002 4.558 4.556 -0.000 0.000 0.300 119 H C 1.936 177.401 175.328 0.227 0.000 1.087 119 H CA 2.399 58.637 56.048 0.315 0.000 1.319 119 H CB -0.059 29.846 29.762 0.239 0.000 1.379 119 H HN 0.088 nan 8.280 nan 0.000 0.501 120 S N -0.023 115.847 115.700 0.283 0.000 2.402 120 S HA -0.112 4.358 4.470 -0.000 0.000 0.229 120 S C 1.862 176.524 174.600 0.104 0.000 1.021 120 S CA 1.189 59.490 58.200 0.169 0.000 0.974 120 S CB -0.076 63.233 63.200 0.180 0.000 0.800 120 S HN 0.542 nan 8.310 nan 0.000 0.484 121 E N 0.003 120.282 120.200 0.132 0.000 2.107 121 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 121 E C 1.718 178.429 176.600 0.185 0.000 0.982 121 E CA 0.803 57.280 56.400 0.127 0.000 0.809 121 E CB -0.150 29.621 29.700 0.118 0.000 0.756 121 E HN 0.480 nan 8.360 nan 0.000 0.459 122 F N 1.371 121.350 119.950 0.048 0.000 2.084 122 F HA -0.155 4.372 4.527 -0.000 0.000 0.296 122 F C 1.893 177.716 175.800 0.039 0.000 1.111 122 F CA 1.057 59.108 58.000 0.085 0.000 1.224 122 F CB -0.286 38.763 39.000 0.081 0.000 0.991 122 F HN -0.080 nan 8.300 nan 0.000 0.471 123 L N 0.579 121.689 121.223 -0.187 0.000 2.131 123 L HA -0.031 4.309 4.340 -0.000 0.000 0.210 123 L C 2.785 179.554 176.870 -0.168 0.000 1.092 123 L CA 1.784 56.439 54.840 -0.309 0.000 0.759 123 L CB -1.747 40.139 42.059 -0.289 0.000 0.903 123 L HN 0.307 nan 8.230 nan 0.000 0.435 124 G N -1.337 107.425 108.800 -0.063 0.000 2.443 124 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.219 124 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.219 124 G C 1.659 176.561 174.900 0.004 0.000 1.131 124 G CA 0.796 45.886 45.100 -0.016 0.000 0.775 124 G HN 0.483 nan 8.290 nan 0.000 0.547 125 A N 0.081 122.923 122.820 0.037 0.000 1.878 125 A HA 0.251 4.571 4.320 -0.000 0.000 0.213 125 A C 2.523 180.204 177.584 0.162 0.000 1.192 125 A CA 1.287 53.403 52.037 0.132 0.000 0.619 125 A CB -0.506 18.639 19.000 0.242 0.000 0.837 125 A HN 0.173 nan 8.150 nan 0.000 0.446 126 V N 1.754 121.639 119.914 -0.050 0.000 2.332 126 V HA -0.375 3.744 4.120 -0.000 0.000 0.248 126 V C 2.815 178.812 176.094 -0.161 0.000 1.055 126 V CA 2.388 64.524 62.300 -0.273 0.000 1.038 126 V CB -1.168 30.242 31.823 -0.688 0.000 0.651 126 V HN 0.910 nan 8.190 nan 0.000 0.450 127 Q N 0.236 119.958 119.800 -0.130 0.000 2.297 127 Q HA -0.183 4.157 4.340 -0.000 0.000 0.208 127 Q C 1.185 177.158 176.000 -0.046 0.000 0.981 127 Q CA 1.050 56.797 55.803 -0.093 0.000 0.876 127 Q CB -0.220 28.474 28.738 -0.072 0.000 0.921 127 Q HN 0.716 nan 8.270 nan 0.000 0.446 131 Q N 1.333 121.040 119.800 -0.155 0.000 2.320 131 Q HA 0.534 4.873 4.340 -0.000 0.000 0.201 131 Q C 0.392 176.238 176.000 -0.257 0.000 0.910 131 Q CA 0.458 56.099 55.803 -0.271 0.000 0.946 131 Q CB 0.561 29.031 28.738 -0.447 0.000 1.062 131 Q HN 0.361 nan 8.270 nan 0.000 0.503 132 A N 0.553 123.262 122.820 -0.186 0.000 2.350 132 A HA 0.738 5.058 4.320 -0.000 0.000 0.324 132 A C -0.729 176.770 177.584 -0.141 0.000 1.118 132 A CA -0.539 51.389 52.037 -0.181 0.000 0.783 132 A CB 1.714 20.595 19.000 -0.198 0.000 1.236 132 A HN 0.155 nan 8.150 nan 0.000 0.457 133 S N -0.221 115.397 115.700 -0.136 0.000 2.570 133 S HA 0.687 5.157 4.470 -0.000 0.000 0.286 133 S C -0.928 173.618 174.600 -0.091 0.000 1.099 133 S CA -0.517 57.626 58.200 -0.096 0.000 0.913 133 S CB 1.873 65.027 63.200 -0.076 0.000 1.085 133 S HN 0.688 nan 8.310 nan 0.000 0.480 134 V N 2.323 122.199 119.914 -0.063 0.000 2.495 134 V HA 0.615 4.735 4.120 -0.000 0.000 0.298 134 V C -0.772 175.317 176.094 -0.008 0.000 1.031 134 V CA -0.535 61.737 62.300 -0.045 0.000 0.871 134 V CB 1.703 33.493 31.823 -0.053 0.000 0.988 134 V HN 0.681 nan 8.190 nan 0.000 0.432 135 V N 3.789 123.714 119.914 0.018 0.000 2.588 135 V HA 0.430 4.550 4.120 -0.000 0.000 0.304 135 V C -0.160 175.970 176.094 0.059 0.000 1.042 135 V CA -0.694 61.631 62.300 0.041 0.000 0.877 135 V CB 2.005 33.866 31.823 0.062 0.000 0.996 135 V HN 0.954 nan 8.190 nan 0.000 0.425 136 E N 3.651 123.884 120.200 0.055 0.000 2.046 136 E HA 0.341 4.690 4.350 -0.000 0.000 0.279 136 E C 0.410 177.047 176.600 0.062 0.000 0.989 136 E CA -0.359 56.077 56.400 0.061 0.000 0.798 136 E CB 0.945 30.675 29.700 0.051 0.000 1.086 136 E HN 0.685 nan 8.360 nan 0.000 0.399 137 L N 3.463 124.730 121.223 0.074 0.000 2.291 137 L HA 0.197 4.537 4.340 -0.000 0.000 0.214 137 L C 1.182 178.080 176.870 0.046 0.000 1.120 137 L CA 0.829 55.712 54.840 0.072 0.000 0.799 137 L CB -0.172 41.944 42.059 0.095 0.000 0.925 137 L HN 0.698 nan 8.230 nan 0.000 0.446 138 G N -0.856 107.968 108.800 0.040 0.000 2.323 138 G HA2 0.352 4.312 3.960 -0.000 0.000 0.291 138 G HA3 0.352 4.312 3.960 -0.000 0.000 0.291 138 G C -1.676 173.238 174.900 0.023 0.000 1.278 138 G CA -0.892 44.222 45.100 0.023 0.000 0.860 138 G HN -0.119 nan 8.290 nan 0.000 0.504 139 R N -0.097 120.410 120.500 0.012 0.000 2.740 139 R HA 0.732 5.071 4.340 -0.000 0.000 0.282 139 R C 0.756 177.058 176.300 0.003 0.000 0.969 139 R CA -0.026 56.082 56.100 0.013 0.000 0.918 139 R CB 1.737 32.045 30.300 0.014 0.000 1.175 139 R HN 0.912 nan 8.270 nan 0.000 0.464 140 T N -1.740 112.818 114.554 0.006 0.000 2.754 140 T HA 0.082 4.432 4.350 -0.000 0.000 0.286 140 T C 1.422 176.124 174.700 0.004 0.000 0.997 140 T CA -0.766 61.334 62.100 0.000 0.000 0.982 140 T CB 0.572 69.444 68.868 0.007 0.000 1.027 140 T HN 0.156 nan 8.240 nan 0.000 0.529 141 V N 1.078 120.993 119.914 0.001 0.000 2.317 141 V HA -0.163 3.957 4.120 -0.000 0.000 0.251 141 V C 2.282 178.389 176.094 0.022 0.000 1.065 141 V CA 2.132 64.435 62.300 0.005 0.000 1.049 141 V CB -0.997 30.826 31.823 -0.000 0.000 0.651 141 V HN 0.934 nan 8.190 nan 0.000 0.450 142 E N -0.500 119.722 120.200 0.037 0.000 2.419 142 E HA 0.343 4.693 4.350 -0.000 0.000 0.190 142 E C 1.345 177.969 176.600 0.039 0.000 1.040 142 E CA 0.480 56.910 56.400 0.050 0.000 0.900 142 E CB 0.302 30.053 29.700 0.085 0.000 1.054 142 E HN 0.638 nan 8.360 nan 0.000 0.462 143 G N 2.282 111.099 108.800 0.029 0.000 2.147 143 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.244 143 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.244 143 G C 0.092 175.009 174.900 0.029 0.000 1.005 143 G CA -0.111 45.005 45.100 0.027 0.000 0.713 143 G HN 0.179 nan 8.290 nan 0.000 0.515 144 R N 0.742 121.258 120.500 0.028 0.000 2.457 144 R HA 0.482 4.822 4.340 -0.000 0.000 0.284 144 R C -1.870 174.447 176.300 0.028 0.000 1.024 144 R CA -1.629 54.486 56.100 0.026 0.000 1.025 144 R CB 1.158 31.467 30.300 0.015 0.000 1.063 144 R HN 0.159 nan 8.270 nan 0.000 0.493 148 L N 3.761 125.045 121.223 0.101 0.000 2.307 148 L HA 0.793 5.133 4.340 -0.000 0.000 0.284 148 L C -1.062 175.822 176.870 0.024 0.000 1.023 148 L CA -0.348 54.551 54.840 0.098 0.000 0.810 148 L CB 1.466 43.611 42.059 0.144 0.000 1.231 148 L HN 0.499 nan 8.230 nan 0.000 0.423 149 V N 5.958 125.862 119.914 -0.017 0.000 2.370 149 V HA 0.445 4.565 4.120 -0.000 0.000 0.283 149 V C -0.324 175.687 176.094 -0.138 0.000 1.023 149 V CA -0.666 61.582 62.300 -0.088 0.000 0.857 149 V CB 1.550 33.304 31.823 -0.115 0.000 0.985 149 V HN 0.514 nan 8.190 nan 0.000 0.443 150 V N 7.130 126.940 119.914 -0.173 0.000 2.347 150 V HA 0.504 4.624 4.120 -0.000 0.000 0.280 150 V C -0.383 175.551 176.094 -0.267 0.000 1.021 150 V CA -0.407 61.714 62.300 -0.299 0.000 0.847 150 V CB 1.381 33.050 31.823 -0.256 0.000 0.990 150 V HN 0.657 nan 8.190 nan 0.000 0.444 151 L N 5.082 126.156 121.223 -0.248 0.000 2.349 151 L HA 0.994 5.333 4.340 -0.000 0.000 0.278 151 L C 0.465 177.259 176.870 -0.127 0.000 0.996 151 L CA 0.188 54.928 54.840 -0.167 0.000 0.825 151 L CB 1.814 43.836 42.059 -0.061 0.000 1.243 151 L HN 0.821 nan 8.230 nan 0.000 0.412 152 G N 0.575 109.118 108.800 -0.428 0.000 2.430 152 G HA2 0.583 4.543 3.960 -0.000 0.000 0.300 152 G HA3 0.583 4.543 3.960 -0.000 0.000 0.300 152 G C -1.315 173.249 174.900 -0.561 0.000 1.330 152 G CA -0.113 44.699 45.100 -0.479 0.000 0.813 152 G HN 0.505 nan 8.290 nan 0.000 0.487 153 T N -1.023 113.324 114.554 -0.344 0.000 2.924 153 T HA 0.792 5.142 4.350 -0.000 0.000 0.291 153 T C -2.923 171.710 174.700 -0.111 0.000 1.045 153 T CA -1.631 60.335 62.100 -0.223 0.000 1.015 153 T CB 1.843 70.625 68.868 -0.143 0.000 1.103 153 T HN 0.384 nan 8.240 nan 0.000 0.496 154 P HA 0.296 nan 4.420 nan 0.000 0.266 154 P C -0.623 176.660 177.300 -0.029 0.000 1.193 154 P CA 0.024 63.094 63.100 -0.049 0.000 0.770 154 P CB 0.237 31.912 31.700 -0.042 0.000 0.836 161 K N 0.812 121.231 120.400 0.031 0.000 2.123 161 K HA 0.557 4.876 4.320 -0.000 0.000 0.248 161 K C -0.437 176.188 176.600 0.042 0.000 0.969 161 K CA -0.501 55.808 56.287 0.038 0.000 0.882 161 K CB 1.191 33.714 32.500 0.039 0.000 1.080 161 K HN 0.580 nan 8.250 nan 0.000 0.441 162 K N 1.887 122.312 120.400 0.041 0.000 2.401 162 K HA 0.062 4.381 4.320 -0.000 0.000 0.278 162 K C -0.543 176.055 176.600 -0.002 0.000 1.018 162 K CA 0.218 56.520 56.287 0.025 0.000 0.981 162 K CB 0.496 33.017 32.500 0.035 0.000 0.933 162 K HN 0.270 nan 8.250 nan 0.000 0.477 163 K N 2.762 123.179 120.400 0.028 0.000 2.264 163 K HA 0.217 4.536 4.320 -0.000 0.000 0.277 163 K C -0.715 175.913 176.600 0.047 0.000 1.067 163 K CA -0.557 55.779 56.287 0.082 0.000 0.900 163 K CB 1.221 33.778 32.500 0.096 0.000 1.124 163 K HN 0.203 nan 8.250 nan 0.000 0.469 164 V N 3.585 123.448 119.914 -0.085 0.000 2.370 164 V HA 0.282 4.401 4.120 -0.000 0.000 0.279 164 V C -0.771 175.341 176.094 0.029 0.000 1.029 164 V CA -0.887 61.370 62.300 -0.073 0.000 0.870 164 V CB 0.381 31.962 31.823 -0.404 0.000 0.984 164 V HN 0.650 nan 8.190 nan 0.000 0.451 165 W N 5.256 126.638 121.300 0.136 0.000 2.478 165 W HA 0.775 5.435 4.660 -0.000 0.000 0.318 165 W C -0.349 176.213 176.519 0.072 0.000 1.062 165 W CA -0.412 57.046 57.345 0.188 0.000 1.210 165 W CB 1.498 31.124 29.460 0.276 0.000 1.325 165 W HN 0.357 nan 8.180 nan 0.000 0.496 166 I N 6.349 127.076 120.570 0.261 0.000 2.500 166 I HA 0.389 4.559 4.170 -0.000 0.000 0.286 166 I C -0.309 175.859 176.117 0.085 0.000 1.063 166 I CA -1.046 60.317 61.300 0.105 0.000 1.062 166 I CB 0.958 39.044 38.000 0.144 0.000 1.223 166 I HN 0.303 nan 8.210 nan 0.000 0.435 167 I N 2.894 123.437 120.570 -0.046 0.000 2.603 167 I HA 1.015 5.185 4.170 -0.000 0.000 0.300 167 I C -0.632 175.433 176.117 -0.088 0.000 1.017 167 I CA -0.480 60.837 61.300 0.028 0.000 1.098 167 I CB 2.182 40.273 38.000 0.152 0.000 1.279 167 I HN 0.587 nan 8.210 nan 0.000 0.437 168 A N 4.397 127.171 122.820 -0.076 0.000 2.475 168 A HA 0.747 5.067 4.320 -0.000 0.000 0.301 168 A C 0.284 177.760 177.584 -0.182 0.000 1.059 168 A CA -0.801 51.136 52.037 -0.167 0.000 0.710 168 A CB 1.453 20.383 19.000 -0.116 0.000 1.288 168 A HN 0.966 nan 8.150 nan 0.000 0.408 169 R N 0.222 120.561 120.500 -0.268 0.000 3.532 169 R HA -0.178 4.162 4.340 -0.000 0.000 0.284 169 R C 0.792 176.981 176.300 -0.185 0.000 1.140 169 R CA 1.154 57.126 56.100 -0.214 0.000 0.768 169 R CB -1.811 28.390 30.300 -0.165 0.000 1.252 169 R HN 0.966 nan 8.270 nan 0.000 0.454 170 Q N -0.688 118.945 119.800 -0.278 0.000 2.135 170 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 170 Q C -0.125 175.778 176.000 -0.163 0.000 0.981 170 Q CA 1.578 57.255 55.803 -0.211 0.000 0.856 170 Q CB 0.008 28.596 28.738 -0.249 0.000 0.902 170 Q HN 0.613 nan 8.270 nan 0.000 0.425 171 H N 0.342 119.396 119.070 -0.025 0.000 2.640 171 H HA 0.077 4.633 4.556 -0.000 0.000 0.297 171 H C -1.590 173.719 175.328 -0.032 0.000 1.073 171 H CA -2.325 53.726 56.048 0.004 0.000 1.305 171 H CB 1.135 30.938 29.762 0.069 0.000 1.404 171 H HN 0.077 nan 8.280 nan 0.000 0.459 172 P HA -0.128 nan 4.420 nan 0.000 0.220 172 P C 1.540 178.759 177.300 -0.135 0.000 1.148 172 P CA 1.045 64.115 63.100 -0.049 0.000 0.803 172 P CB 0.247 31.915 31.700 -0.053 0.000 0.782 173 G N 0.255 109.010 108.800 -0.075 0.000 2.598 173 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.215 173 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.215 173 G C 0.755 175.768 174.900 0.189 0.000 1.131 173 G CA -0.008 45.028 45.100 -0.107 0.000 0.785 173 G HN 0.332 nan 8.290 nan 0.000 0.539 174 E N 1.954 122.252 120.200 0.163 0.000 2.261 174 E HA 0.219 4.569 4.350 -0.000 0.000 0.308 174 E C 0.683 177.216 176.600 -0.112 0.000 1.400 174 E CA -0.389 56.032 56.400 0.035 0.000 1.542 174 E CB 0.163 29.895 29.700 0.054 0.000 1.369 174 E HN 0.417 nan 8.360 nan 0.000 0.493 178 E N -0.729 119.357 120.200 -0.189 0.000 2.158 178 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 178 E C 1.478 177.811 176.600 -0.446 0.000 0.982 178 E CA 0.961 57.083 56.400 -0.464 0.000 0.823 178 E CB -0.127 29.038 29.700 -0.891 0.000 0.766 178 E HN 0.741 nan 8.360 nan 0.000 0.468 179 W N -0.040 121.211 121.300 -0.082 0.000 2.338 179 W HA -0.183 4.477 4.660 -0.000 0.000 0.304 179 W C 2.045 178.616 176.519 0.085 0.000 1.212 179 W CA 0.839 58.247 57.345 0.105 0.000 1.264 179 W CB -0.476 29.090 29.460 0.176 0.000 1.142 179 W HN 0.171 nan 8.180 nan 0.000 0.512 180 F N 0.759 120.825 119.950 0.193 0.000 2.095 180 F HA -0.270 4.257 4.527 -0.000 0.000 0.298 180 F C 2.035 177.842 175.800 0.011 0.000 1.104 180 F CA 1.642 59.706 58.000 0.107 0.000 1.232 180 F CB -0.658 38.396 39.000 0.090 0.000 0.987 180 F HN -0.266 nan 8.300 nan 0.000 0.475 181 I N 0.731 121.457 120.570 0.260 0.000 2.286 181 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 181 I C 2.418 178.527 176.117 -0.013 0.000 1.115 181 I CA 1.632 62.991 61.300 0.098 0.000 1.392 181 I CB -1.527 36.511 38.000 0.064 0.000 1.065 181 I HN 0.376 nan 8.210 nan 0.000 0.418 182 E N 1.002 121.162 120.200 -0.066 0.000 2.058 182 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 182 E C 2.336 178.889 176.600 -0.078 0.000 0.997 182 E CA 1.520 57.794 56.400 -0.210 0.000 0.801 182 E CB -0.275 29.215 29.700 -0.350 0.000 0.746 182 E HN 0.457 nan 8.360 nan 0.000 0.450 183 G N 1.562 110.335 108.800 -0.045 0.000 2.418 183 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 183 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 183 G C 1.579 176.346 174.900 -0.223 0.000 1.158 183 G CA 0.777 45.838 45.100 -0.064 0.000 0.771 183 G HN 0.340 nan 8.290 nan 0.000 0.545 184 L N 0.470 121.490 121.223 -0.337 0.000 2.046 184 L HA -0.066 4.273 4.340 -0.000 0.000 0.208 184 L C 2.887 179.534 176.870 -0.371 0.000 1.077 184 L CA 1.109 55.688 54.840 -0.434 0.000 0.747 184 L CB -0.157 41.628 42.059 -0.458 0.000 0.896 184 L HN 0.117 nan 8.230 nan 0.000 0.432 185 V N -0.106 119.680 119.914 -0.213 0.000 2.358 185 V HA -0.266 3.853 4.120 -0.000 0.000 0.246 185 V C 2.512 178.445 176.094 -0.269 0.000 1.047 185 V CA 1.860 64.036 62.300 -0.207 0.000 1.035 185 V CB -0.618 31.178 31.823 -0.045 0.000 0.658 185 V HN 0.424 nan 8.190 nan 0.000 0.452 186 K N -0.024 120.305 120.400 -0.118 0.000 2.063 186 K HA -0.245 4.074 4.320 -0.000 0.000 0.208 186 K C 2.410 178.908 176.600 -0.169 0.000 1.048 186 K CA 1.889 58.114 56.287 -0.103 0.000 0.928 186 K CB -0.264 32.375 32.500 0.232 0.000 0.713 186 K HN 0.319 nan 8.250 nan 0.000 0.442 187 R N 1.151 121.413 120.500 -0.396 0.000 2.075 187 R HA -0.071 4.269 4.340 -0.000 0.000 0.232 187 R C 2.224 178.256 176.300 -0.447 0.000 1.126 187 R CA 0.979 56.661 56.100 -0.696 0.000 0.963 187 R CB -0.171 29.300 30.300 -1.382 0.000 0.858 187 R HN 0.129 nan 8.270 nan 0.000 0.435 188 L N 0.748 121.694 121.223 -0.461 0.000 2.131 188 L HA -0.116 4.223 4.340 -0.000 0.000 0.210 188 L C 2.066 178.814 176.870 -0.204 0.000 1.092 188 L CA 1.035 55.635 54.840 -0.401 0.000 0.759 188 L CB -0.111 41.667 42.059 -0.469 0.000 0.903 188 L HN 0.243 nan 8.230 nan 0.000 0.435 189 V N -3.729 116.008 119.914 -0.295 0.000 3.647 189 V HA 0.420 4.540 4.120 -0.000 0.000 0.279 189 V C 1.227 177.228 176.094 -0.153 0.000 1.314 189 V CA 0.298 62.423 62.300 -0.291 0.000 1.125 189 V CB -0.418 31.024 31.823 -0.636 0.000 0.907 189 V HN 0.463 nan 8.190 nan 0.000 0.434 190 G N -0.602 108.173 108.800 -0.042 0.000 2.221 190 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.265 190 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.265 190 G C -0.349 174.785 174.900 0.391 0.000 1.041 190 G CA 0.254 45.458 45.100 0.173 0.000 0.807 190 G HN 0.554 nan 8.290 nan 0.000 0.502 191 W N 0.066 121.470 121.300 0.173 0.000 2.237 191 W HA 0.569 5.229 4.660 -0.000 0.000 0.335 191 W C 1.265 177.883 176.519 0.165 0.000 1.230 191 W CA 0.285 57.724 57.345 0.155 0.000 1.253 191 W CB 0.418 29.974 29.460 0.159 0.000 1.129 191 W HN 1.172 nan 8.180 nan 0.000 0.590 192 G N 2.384 111.361 108.800 0.296 0.000 2.591 192 G HA2 -0.366 3.593 3.960 -0.000 0.000 0.298 192 G HA3 -0.366 3.593 3.960 -0.000 0.000 0.298 192 G C 0.710 175.608 174.900 -0.004 0.000 1.195 192 G CA 0.772 45.935 45.100 0.106 0.000 0.989 192 G HN 0.447 nan 8.290 nan 0.000 0.551 193 D N 0.670 120.959 120.400 -0.184 0.000 2.378 193 D HA 0.024 4.663 4.640 -0.000 0.000 0.227 193 D C 1.608 177.579 176.300 -0.549 0.000 1.012 193 D CA 0.858 54.619 54.000 -0.398 0.000 0.905 193 D CB -0.162 40.293 40.800 -0.574 0.000 0.895 193 D HN 0.546 nan 8.370 nan 0.000 0.532 194 W N 0.360 121.691 121.300 0.051 0.000 3.316 194 W HA 0.132 4.792 4.660 -0.000 0.000 0.327 194 W C 2.298 178.843 176.519 0.043 0.000 1.232 194 W CA -0.455 56.908 57.345 0.030 0.000 1.805 194 W CB 0.159 29.627 29.460 0.014 0.000 1.090 194 W HN -0.171 nan 8.180 nan 0.000 0.654 195 S N 0.623 116.437 115.700 0.190 0.000 2.356 195 S HA -0.101 4.368 4.470 -0.000 0.000 0.223 195 S C 1.929 176.605 174.600 0.125 0.000 1.032 195 S CA 1.870 60.168 58.200 0.163 0.000 1.005 195 S CB -0.534 62.732 63.200 0.109 0.000 0.867 195 S HN 0.250 nan 8.310 nan 0.000 0.449 196 G N 0.580 109.433 108.800 0.090 0.000 3.233 196 G HA2 0.172 4.132 3.960 -0.000 0.000 0.227 196 G HA3 0.172 4.132 3.960 -0.000 0.000 0.227 196 G C -0.167 174.786 174.900 0.089 0.000 1.175 196 G CA -0.101 45.044 45.100 0.075 0.000 0.781 196 G HN 0.596 nan 8.290 nan 0.000 0.542 197 D N 0.639 121.122 120.400 0.139 0.000 2.308 197 D HA 0.312 4.952 4.640 -0.000 0.000 0.251 197 D C -0.851 175.503 176.300 0.089 0.000 1.127 197 D CA -1.780 52.312 54.000 0.153 0.000 0.876 197 D CB 1.858 42.846 40.800 0.314 0.000 1.176 197 D HN 0.029 nan 8.370 nan 0.000 0.446 198 P HA 0.043 nan 4.420 nan 0.000 0.261 198 P C 1.040 178.333 177.300 -0.012 0.000 1.268 198 P CA -0.104 63.013 63.100 0.028 0.000 0.833 198 P CB 0.490 32.210 31.700 0.033 0.000 1.231 199 V N 1.524 121.416 119.914 -0.038 0.000 2.255 199 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 199 V C 2.810 178.794 176.094 -0.184 0.000 1.051 199 V CA 2.374 64.615 62.300 -0.099 0.000 1.018 199 V CB -1.482 30.265 31.823 -0.126 0.000 0.641 199 V HN 0.149 nan 8.190 nan 0.000 0.445 200 A N 0.295 122.957 122.820 -0.262 0.000 1.892 200 A HA -0.326 3.994 4.320 -0.000 0.000 0.218 200 A C 2.413 179.699 177.584 -0.497 0.000 1.188 200 A CA 2.502 54.247 52.037 -0.486 0.000 0.631 200 A CB -0.668 18.087 19.000 -0.408 0.000 0.822 200 A HN 0.556 nan 8.150 nan 0.000 0.447 201 R N -0.893 119.512 120.500 -0.157 0.000 2.081 201 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 201 R C 2.018 178.348 176.300 0.049 0.000 1.131 201 R CA 1.651 57.773 56.100 0.037 0.000 0.960 201 R CB -0.202 30.138 30.300 0.068 0.000 0.856 201 R HN 0.253 nan 8.270 nan 0.000 0.436 202 K N 0.918 121.327 120.400 0.016 0.000 2.057 202 K HA -0.115 4.204 4.320 -0.000 0.000 0.207 202 K C 2.160 178.848 176.600 0.147 0.000 1.049 202 K CA 1.206 57.544 56.287 0.085 0.000 0.931 202 K CB -0.444 32.090 32.500 0.057 0.000 0.714 202 K HN 0.287 nan 8.250 nan 0.000 0.440 203 L N -0.095 121.127 121.223 -0.002 0.000 2.042 203 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 203 L C 2.225 179.194 176.870 0.164 0.000 1.076 203 L CA 1.310 56.173 54.840 0.038 0.000 0.749 203 L CB -0.507 41.517 42.059 -0.058 0.000 0.893 203 L HN 0.147 nan 8.230 nan 0.000 0.432 204 Y N -0.402 119.990 120.300 0.155 0.000 2.497 204 Y HA -0.204 4.346 4.550 -0.000 0.000 0.292 204 Y C 2.224 178.164 175.900 0.067 0.000 1.137 204 Y CA 0.492 58.655 58.100 0.105 0.000 1.285 204 Y CB -0.728 37.762 38.460 0.050 0.000 0.991 204 Y HN 0.246 nan 8.280 nan 0.000 0.556 205 D N -1.681 118.843 120.400 0.206 0.000 2.224 205 D HA -0.102 4.538 4.640 -0.000 0.000 0.205 205 D C 1.747 178.011 176.300 -0.060 0.000 0.965 205 D CA 1.249 55.272 54.000 0.039 0.000 0.852 205 D CB -0.092 40.674 40.800 -0.058 0.000 0.947 205 D HN 0.522 nan 8.370 nan 0.000 0.494 206 H N -1.058 118.049 119.070 0.062 0.000 2.681 206 H HA 0.528 5.084 4.556 -0.000 0.000 0.268 206 H C 0.489 175.828 175.328 0.017 0.000 0.967 206 H CA 0.349 56.420 56.048 0.038 0.000 1.233 206 H CB 1.343 31.127 29.762 0.036 0.000 1.445 206 H HN -0.018 nan 8.280 nan 0.000 0.494 207 A N 0.767 123.672 122.820 0.141 0.000 2.594 207 A HA 0.575 4.895 4.320 -0.000 0.000 0.291 207 A C -0.751 176.827 177.584 -0.010 0.000 1.105 207 A CA -0.499 51.523 52.037 -0.026 0.000 0.694 207 A CB 1.812 20.662 19.000 -0.249 0.000 1.291 207 A HN 0.032 nan 8.150 nan 0.000 0.410 208 T N 0.902 115.373 114.554 -0.139 0.000 2.863 208 T HA 0.649 4.999 4.350 -0.000 0.000 0.285 208 T C -1.218 173.229 174.700 -0.421 0.000 1.009 208 T CA 0.055 62.061 62.100 -0.156 0.000 0.989 208 T CB 0.513 69.278 68.868 -0.171 0.000 1.004 208 T HN 0.328 nan 8.240 nan 0.000 0.455 209 F N 2.066 121.809 119.950 -0.346 0.000 2.420 209 F HA 0.524 5.051 4.527 -0.000 0.000 0.342 209 F C -0.451 174.912 175.800 -0.727 0.000 1.113 209 F CA -0.893 56.889 58.000 -0.364 0.000 1.059 209 F CB 1.005 39.891 39.000 -0.190 0.000 1.128 209 F HN 0.498 nan 8.300 nan 0.000 0.475 210 Y N 4.149 124.219 120.300 -0.383 0.000 2.376 210 Y HA 0.594 5.144 4.550 -0.000 0.000 0.326 210 Y C -0.386 175.277 175.900 -0.395 0.000 0.970 210 Y CA -0.711 56.970 58.100 -0.698 0.000 1.248 210 Y CB 1.006 38.355 38.460 -1.850 0.000 1.117 210 Y HN 0.339 nan 8.280 nan 0.000 0.476 211 I N 3.814 124.344 120.570 -0.066 0.000 2.436 211 I HA 0.453 4.623 4.170 -0.000 0.000 0.289 211 I C -0.944 175.228 176.117 0.092 0.000 1.010 211 I CA -1.144 60.186 61.300 0.049 0.000 1.098 211 I CB 2.014 40.023 38.000 0.014 0.000 1.266 211 I HN 0.172 nan 8.210 nan 0.000 0.434 212 V N 8.214 128.219 119.914 0.153 0.000 2.293 212 V HA 0.226 4.346 4.120 -0.000 0.000 0.275 212 V C -1.819 174.335 176.094 0.099 0.000 1.021 212 V CA -1.151 61.240 62.300 0.152 0.000 0.815 212 V CB 1.209 33.157 31.823 0.207 0.000 1.025 212 V HN 0.610 nan 8.190 nan 0.000 0.448 213 P HA -0.009 nan 4.420 nan 0.000 0.221 213 P C 0.436 177.740 177.300 0.006 0.000 1.150 213 P CA 1.076 64.207 63.100 0.052 0.000 0.800 213 P CB 0.397 32.156 31.700 0.098 0.000 0.787 217 P HA -0.028 nan 4.420 nan 0.000 0.217 217 P C 0.691 177.990 177.300 -0.002 0.000 1.150 217 P CA 1.133 64.194 63.100 -0.065 0.000 0.832 217 P CB 0.503 32.155 31.700 -0.079 0.000 0.787 218 D N -0.864 119.556 120.400 0.033 0.000 2.117 218 D HA -0.071 4.568 4.640 -0.000 0.000 0.198 218 D C 2.281 178.679 176.300 0.164 0.000 0.982 218 D CA 1.622 55.693 54.000 0.118 0.000 0.828 218 D CB -1.224 39.640 40.800 0.107 0.000 0.967 218 D HN 0.130 nan 8.370 nan 0.000 0.464 219 G N 0.219 109.059 108.800 0.067 0.000 2.432 219 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.219 219 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.219 219 G C 1.830 176.754 174.900 0.039 0.000 1.135 219 G CA 0.963 46.093 45.100 0.051 0.000 0.767 219 G HN 0.215 nan 8.290 nan 0.000 0.550 220 S N 0.110 115.809 115.700 -0.002 0.000 2.343 220 S HA -0.127 4.342 4.470 -0.000 0.000 0.219 220 S C 2.491 177.097 174.600 0.010 0.000 1.033 220 S CA 1.320 59.488 58.200 -0.053 0.000 1.014 220 S CB -0.460 62.708 63.200 -0.053 0.000 0.915 220 S HN 0.162 nan 8.310 nan 0.000 0.435 221 V N 1.734 121.681 119.914 0.055 0.000 2.490 221 V HA -0.164 3.956 4.120 -0.000 0.000 0.250 221 V C 2.063 178.192 176.094 0.057 0.000 1.061 221 V CA 1.506 63.845 62.300 0.065 0.000 1.064 221 V CB -0.778 31.064 31.823 0.031 0.000 0.670 221 V HN 0.573 nan 8.190 nan 0.000 0.461 222 H N 0.145 119.240 119.070 0.042 0.000 2.546 222 H HA 0.064 4.620 4.556 -0.000 0.000 0.277 222 H C 1.952 177.333 175.328 0.088 0.000 1.004 222 H CA 0.915 56.998 56.048 0.058 0.000 1.231 222 H CB -0.002 29.789 29.762 0.048 0.000 1.382 222 H HN 0.554 nan 8.280 nan 0.000 0.580 223 G N 1.663 110.559 108.800 0.159 0.000 2.225 223 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.264 223 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.264 223 G C -0.225 174.773 174.900 0.163 0.000 1.060 223 G CA 0.157 45.350 45.100 0.154 0.000 0.833 223 G HN 0.290 nan 8.290 nan 0.000 0.498 224 N N -0.966 117.770 118.700 0.060 0.000 2.463 224 N HA 0.598 5.338 4.740 -0.000 0.000 0.270 224 N C 1.183 176.713 175.510 0.034 0.000 1.205 224 N CA -0.438 52.671 53.050 0.098 0.000 0.974 224 N CB 1.355 39.884 38.487 0.071 0.000 1.197 224 N HN 0.189 nan 8.380 nan 0.000 0.504 225 L N 0.733 122.033 121.223 0.129 0.000 2.189 225 L HA 0.289 4.629 4.340 -0.000 0.000 0.199 225 L C 1.631 178.526 176.870 0.041 0.000 1.074 225 L CA 1.469 56.383 54.840 0.124 0.000 0.783 225 L CB 0.039 42.185 42.059 0.144 0.000 0.955 225 L HN 0.557 nan 8.230 nan 0.000 0.460 226 R N -1.443 119.045 120.500 -0.020 0.000 2.517 226 R HA 0.218 4.558 4.340 -0.000 0.000 0.265 226 R C -0.523 175.788 176.300 0.020 0.000 0.921 226 R CA 0.730 56.738 56.100 -0.153 0.000 1.054 226 R CB 0.428 30.353 30.300 -0.625 0.000 1.340 226 R HN 0.488 nan 8.270 nan 0.000 0.551 227 T N -1.087 113.512 114.554 0.075 0.000 2.906 227 T HA 0.365 4.715 4.350 -0.000 0.000 0.295 227 T C -0.283 174.445 174.700 0.046 0.000 1.075 227 T CA -1.091 61.066 62.100 0.095 0.000 1.005 227 T CB 1.705 70.656 68.868 0.138 0.000 1.136 227 T HN 0.134 nan 8.240 nan 0.000 0.498 228 N N 0.609 119.324 118.700 0.025 0.000 2.374 228 N HA 0.376 5.115 4.740 -0.000 0.000 0.284 228 N C 1.578 177.043 175.510 -0.075 0.000 1.280 228 N CA -0.193 52.849 53.050 -0.014 0.000 0.963 228 N CB -0.208 38.272 38.487 -0.012 0.000 1.141 228 N HN 0.813 nan 8.380 nan 0.000 0.565 229 A N -1.103 121.655 122.820 -0.104 0.000 2.015 229 A HA 0.133 4.453 4.320 -0.000 0.000 0.219 229 A C 1.944 179.448 177.584 -0.134 0.000 1.163 229 A CA 1.741 53.647 52.037 -0.217 0.000 0.646 229 A CB -1.181 17.753 19.000 -0.111 0.000 0.806 229 A HN 0.852 nan 8.150 nan 0.000 0.448 230 A N -2.142 120.639 122.820 -0.065 0.000 2.251 230 A HA 0.435 4.755 4.320 -0.000 0.000 0.209 230 A C 1.708 179.277 177.584 -0.025 0.000 1.187 230 A CA 1.146 53.159 52.037 -0.039 0.000 0.823 230 A CB -0.607 18.377 19.000 -0.027 0.000 0.846 230 A HN 1.773 nan 8.150 nan 0.000 0.486 231 G N -2.039 106.751 108.800 -0.017 0.000 2.176 231 G HA2 0.115 4.075 3.960 -0.000 0.000 0.232 231 G HA3 0.115 4.075 3.960 -0.000 0.000 0.232 231 G C 0.386 175.318 174.900 0.053 0.000 0.986 231 G CA 0.158 45.269 45.100 0.019 0.000 0.643 231 G HN 1.534 nan 8.290 nan 0.000 0.522 232 A N 0.027 122.869 122.820 0.036 0.000 2.354 232 A HA 0.627 4.946 4.320 -0.000 0.000 0.269 232 A C 0.410 178.046 177.584 0.087 0.000 1.109 232 A CA 0.074 52.139 52.037 0.047 0.000 0.800 232 A CB 0.488 19.491 19.000 0.004 0.000 1.045 232 A HN 0.590 nan 8.150 nan 0.000 0.489 233 N N 2.813 121.586 118.700 0.121 0.000 2.415 233 N HA 0.158 4.897 4.740 -0.000 0.000 0.246 233 N C 0.765 176.353 175.510 0.129 0.000 1.078 233 N CA -0.226 52.919 53.050 0.158 0.000 0.942 233 N CB 0.307 38.904 38.487 0.183 0.000 1.140 233 N HN 0.624 nan 8.380 nan 0.000 0.501 234 L N 2.395 123.687 121.223 0.115 0.000 2.187 234 L HA -0.140 4.200 4.340 -0.000 0.000 0.213 234 L C 1.286 178.252 176.870 0.160 0.000 1.100 234 L CA 0.864 55.739 54.840 0.057 0.000 0.765 234 L CB -0.243 41.835 42.059 0.031 0.000 0.904 234 L HN 0.482 nan 8.230 nan 0.000 0.437 235 N N -0.172 118.654 118.700 0.210 0.000 2.370 235 N HA -0.035 4.705 4.740 -0.000 0.000 0.198 235 N C 1.021 176.660 175.510 0.216 0.000 1.156 235 N CA 0.247 53.461 53.050 0.273 0.000 0.839 235 N CB 0.230 38.790 38.487 0.122 0.000 0.989 235 N HN 0.048 nan 8.380 nan 0.000 0.468 236 R N -0.257 120.346 120.500 0.171 0.000 2.508 236 R HA 0.241 4.581 4.340 -0.000 0.000 0.300 236 R C 0.033 176.384 176.300 0.084 0.000 0.970 236 R CA 0.032 56.202 56.100 0.116 0.000 1.102 236 R CB 0.502 30.852 30.300 0.084 0.000 1.246 236 R HN 0.215 nan 8.270 nan 0.000 0.539 237 E N -0.572 119.654 120.200 0.044 0.000 2.501 237 E HA 0.047 4.396 4.350 -0.000 0.000 0.201 237 E C -0.054 176.367 176.600 -0.299 0.000 1.016 237 E CA -0.115 56.202 56.400 -0.139 0.000 0.920 237 E CB 0.249 29.813 29.700 -0.227 0.000 1.023 237 E HN 0.075 nan 8.360 nan 0.000 0.474 241 P HA 0.170 nan 4.420 nan 0.000 0.269 241 P C -0.660 176.547 177.300 -0.154 0.000 1.215 241 P CA 0.251 63.211 63.100 -0.234 0.000 0.780 241 P CB 0.974 32.465 31.700 -0.347 0.000 0.898 242 D N -0.240 120.080 120.400 -0.133 0.000 2.879 242 D HA 0.466 5.105 4.640 -0.000 0.000 0.236 242 D C 0.935 177.185 176.300 -0.084 0.000 1.171 242 D CA -0.756 53.189 54.000 -0.091 0.000 0.868 242 D CB 1.560 42.317 40.800 -0.071 0.000 1.598 242 D HN 0.189 nan 8.370 nan 0.000 0.497 243 A N 2.966 125.747 122.820 -0.065 0.000 1.978 243 A HA -0.148 4.171 4.320 -0.000 0.000 0.220 243 A C 1.574 179.132 177.584 -0.044 0.000 1.170 243 A CA 1.316 53.321 52.037 -0.054 0.000 0.636 243 A CB -0.265 18.712 19.000 -0.040 0.000 0.810 243 A HN 0.664 nan 8.150 nan 0.000 0.448 244 E N -1.333 118.843 120.200 -0.039 0.000 2.251 244 E HA -0.001 4.349 4.350 -0.000 0.000 0.194 244 E C 2.083 178.664 176.600 -0.033 0.000 0.964 244 E CA 0.447 56.829 56.400 -0.030 0.000 0.868 244 E CB -0.076 29.610 29.700 -0.024 0.000 0.828 244 E HN 0.663 nan 8.360 nan 0.000 0.481 245 R N 1.044 121.519 120.500 -0.042 0.000 2.167 245 R HA 0.038 4.378 4.340 -0.000 0.000 0.201 245 R C 0.525 176.793 176.300 -0.053 0.000 1.024 245 R CA 1.043 57.119 56.100 -0.041 0.000 1.053 245 R CB 0.568 30.845 30.300 -0.038 0.000 0.987 245 R HN 0.045 nan 8.270 nan 0.000 0.493 246 S N -0.089 115.564 115.700 -0.077 0.000 2.569 246 S HA 0.290 4.760 4.470 -0.000 0.000 0.215 246 S C -2.089 172.432 174.600 -0.132 0.000 1.096 246 S CA -1.036 57.099 58.200 -0.107 0.000 1.183 246 S CB 1.540 64.656 63.200 -0.140 0.000 1.324 246 S HN 0.093 nan 8.310 nan 0.000 0.421 247 P HA -0.124 nan 4.420 nan 0.000 0.218 247 P C 0.956 178.190 177.300 -0.111 0.000 1.148 247 P CA 1.370 64.413 63.100 -0.094 0.000 0.822 247 P CB 0.154 31.821 31.700 -0.056 0.000 0.784 248 E N -0.083 120.056 120.200 -0.102 0.000 2.097 248 E HA -0.127 4.222 4.350 -0.000 0.000 0.196 248 E C 2.114 178.616 176.600 -0.164 0.000 1.000 248 E CA 1.187 57.531 56.400 -0.093 0.000 0.804 248 E CB -1.125 28.537 29.700 -0.065 0.000 0.740 248 E HN 0.117 nan 8.360 nan 0.000 0.454 249 V N 0.273 120.012 119.914 -0.291 0.000 2.535 249 V HA -0.106 4.013 4.120 -0.000 0.000 0.246 249 V C 2.041 177.812 176.094 -0.539 0.000 1.045 249 V CA 0.729 62.678 62.300 -0.585 0.000 1.058 249 V CB -0.300 30.989 31.823 -0.890 0.000 0.689 249 V HN 0.182 nan 8.190 nan 0.000 0.461 250 L N 1.242 122.251 121.223 -0.356 0.000 1.978 250 L HA -0.204 4.136 4.340 -0.000 0.000 0.218 250 L C 2.607 179.352 176.870 -0.209 0.000 1.075 250 L CA 2.892 57.574 54.840 -0.264 0.000 0.767 250 L CB -0.650 41.308 42.059 -0.168 0.000 0.890 250 L HN 0.344 nan 8.230 nan 0.000 0.434 251 V N -4.012 115.815 119.914 -0.145 0.000 2.453 251 V HA -0.131 3.989 4.120 -0.000 0.000 0.247 251 V C 2.187 178.243 176.094 -0.064 0.000 1.048 251 V CA 1.630 63.884 62.300 -0.077 0.000 1.049 251 V CB -0.952 30.853 31.823 -0.030 0.000 0.672 251 V HN 0.250 nan 8.190 nan 0.000 0.457 252 V N 0.426 120.288 119.914 -0.087 0.000 2.323 252 V HA -0.135 3.984 4.120 -0.000 0.000 0.244 252 V C 2.879 178.904 176.094 -0.115 0.000 1.041 252 V CA 2.439 64.730 62.300 -0.014 0.000 1.025 252 V CB -0.911 30.966 31.823 0.089 0.000 0.656 252 V HN 0.532 nan 8.190 nan 0.000 0.451 253 R N 0.031 120.367 120.500 -0.274 0.000 2.096 253 R HA -0.192 4.148 4.340 -0.000 0.000 0.235 253 R C 2.025 178.080 176.300 -0.409 0.000 1.127 253 R CA 1.883 57.776 56.100 -0.346 0.000 0.968 253 R CB -0.315 29.666 30.300 -0.532 0.000 0.861 253 R HN 0.514 nan 8.270 nan 0.000 0.440 254 D N 0.183 120.437 120.400 -0.243 0.000 2.123 254 D HA -0.150 4.490 4.640 -0.000 0.000 0.196 254 D C 1.685 177.962 176.300 -0.038 0.000 0.992 254 D CA 1.529 55.467 54.000 -0.104 0.000 0.833 254 D CB -0.234 40.542 40.800 -0.040 0.000 0.954 254 D HN 0.364 nan 8.370 nan 0.000 0.455 255 A N 0.679 123.479 122.820 -0.033 0.000 1.902 255 A HA -0.124 4.195 4.320 -0.000 0.000 0.217 255 A C 2.381 179.939 177.584 -0.043 0.000 1.181 255 A CA 0.890 52.960 52.037 0.055 0.000 0.623 255 A CB -0.673 18.449 19.000 0.204 0.000 0.818 255 A HN 0.206 nan 8.150 nan 0.000 0.443 256 I N -1.186 119.165 120.570 -0.363 0.000 2.226 256 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 256 I C 2.380 178.467 176.117 -0.049 0.000 1.100 256 I CA 1.566 62.477 61.300 -0.647 0.000 1.374 256 I CB -0.690 36.775 38.000 -0.891 0.000 1.057 256 I HN 0.467 nan 8.210 nan 0.000 0.413 257 H N 0.419 119.509 119.070 0.034 0.000 2.387 257 H HA -0.076 4.479 4.556 -0.000 0.000 0.299 257 H C 2.321 177.702 175.328 0.088 0.000 1.090 257 H CA 0.900 57.026 56.048 0.131 0.000 1.332 257 H CB 0.087 29.890 29.762 0.069 0.000 1.386 257 H HN 0.373 nan 8.280 nan 0.000 0.516 258 A N 0.186 123.111 122.820 0.174 0.000 2.119 258 A HA 0.008 4.328 4.320 -0.000 0.000 0.216 258 A C 2.088 179.732 177.584 0.101 0.000 1.152 258 A CA 0.771 52.880 52.037 0.120 0.000 0.708 258 A CB -0.084 18.974 19.000 0.096 0.000 0.805 258 A HN 0.307 nan 8.150 nan 0.000 0.460 259 I N -2.047 118.581 120.570 0.098 0.000 3.172 259 I HA 0.336 4.506 4.170 -0.000 0.000 0.278 259 I C 1.211 177.350 176.117 0.037 0.000 1.174 259 I CA 0.952 62.286 61.300 0.057 0.000 1.445 259 I CB 0.292 38.315 38.000 0.039 0.000 1.175 259 I HN 0.448 nan 8.210 nan 0.000 0.447 260 G N 0.382 109.200 108.800 0.030 0.000 2.612 260 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.686 260 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.686 260 G C -1.194 173.564 174.900 -0.236 0.000 1.274 260 G CA -0.508 44.558 45.100 -0.058 0.000 0.849 260 G HN 0.312 nan 8.290 nan 0.000 0.595 261 C N 0.661 119.647 119.300 -0.523 0.000 3.046 261 C HA 0.737 5.197 4.460 -0.000 0.000 0.388 261 C C 0.007 174.793 174.990 -0.340 0.000 1.041 261 C CA 0.019 58.746 59.018 -0.485 0.000 1.241 261 C CB 1.054 28.061 27.740 -1.221 0.000 1.638 261 C HN 0.827 nan 8.230 nan 0.000 0.539 262 D N 2.659 123.001 120.400 -0.097 0.000 2.489 262 D HA 0.283 4.923 4.640 -0.000 0.000 0.231 262 D C -0.664 175.605 176.300 -0.051 0.000 1.114 262 D CA 0.447 54.413 54.000 -0.055 0.000 0.842 262 D CB 0.829 41.623 40.800 -0.009 0.000 1.133 262 D HN 0.327 nan 8.370 nan 0.000 0.506 263 L N 0.471 121.671 121.223 -0.039 0.000 2.455 263 L HA 0.419 4.759 4.340 -0.000 0.000 0.264 263 L C -1.302 175.511 176.870 -0.095 0.000 0.968 263 L CA -0.748 54.003 54.840 -0.148 0.000 0.827 263 L CB 2.676 44.665 42.059 -0.117 0.000 1.317 263 L HN -0.208 nan 8.230 nan 0.000 0.407 264 F N 3.187 122.827 119.950 -0.517 0.000 2.556 264 F HA 0.802 5.329 4.527 -0.000 0.000 0.314 264 F C -1.579 173.811 175.800 -0.683 0.000 1.106 264 F CA -0.791 56.990 58.000 -0.365 0.000 0.911 264 F CB 1.416 40.271 39.000 -0.241 0.000 1.190 264 F HN 0.224 nan 8.300 nan 0.000 0.448 265 F N 3.776 123.216 119.950 -0.849 0.000 2.547 265 F HA 0.328 4.855 4.527 -0.000 0.000 0.316 265 F C -0.849 174.440 175.800 -0.851 0.000 1.121 265 F CA -0.921 56.700 58.000 -0.631 0.000 0.911 265 F CB 1.716 40.522 39.000 -0.324 0.000 1.179 265 F HN 0.306 nan 8.300 nan 0.000 0.443 266 D N 3.672 123.840 120.400 -0.386 0.000 2.440 266 D HA 0.368 5.007 4.640 -0.000 0.000 0.239 266 D C -0.887 175.318 176.300 -0.159 0.000 1.084 266 D CA -0.332 53.507 54.000 -0.268 0.000 0.843 266 D CB 0.827 41.598 40.800 -0.049 0.000 1.097 266 D HN 0.176 nan 8.370 nan 0.000 0.531 267 I N 4.324 124.716 120.570 -0.296 0.000 2.342 267 I HA 0.309 4.479 4.170 -0.000 0.000 0.291 267 I C 0.601 176.459 176.117 -0.431 0.000 1.010 267 I CA -0.258 60.818 61.300 -0.374 0.000 1.308 267 I CB 0.586 38.276 38.000 -0.516 0.000 1.400 267 I HN 0.452 nan 8.210 nan 0.000 0.488 268 H N 2.963 121.882 119.070 -0.252 0.000 2.941 268 H HA 0.674 5.230 4.556 -0.000 0.000 0.344 268 H C -0.303 174.887 175.328 -0.231 0.000 1.235 268 H CA -0.692 55.247 56.048 -0.181 0.000 1.149 268 H CB 2.614 32.307 29.762 -0.116 0.000 1.885 268 H HN 0.700 nan 8.280 nan 0.000 0.558 269 G N 0.121 108.919 108.800 -0.004 0.000 2.482 269 G HA2 0.368 4.328 3.960 -0.000 0.000 0.317 269 G HA3 0.368 4.328 3.960 -0.000 0.000 0.317 269 G C -1.353 173.587 174.900 0.067 0.000 1.241 269 G CA -0.391 44.603 45.100 -0.178 0.000 0.967 269 G HN 0.462 nan 8.290 nan 0.000 0.482 270 D N 0.202 120.627 120.400 0.042 0.000 2.308 270 D HA 0.418 5.058 4.640 -0.000 0.000 0.242 270 D C 0.910 177.344 176.300 0.224 0.000 1.059 270 D CA -0.512 53.575 54.000 0.145 0.000 0.830 270 D CB 1.995 42.954 40.800 0.266 0.000 1.161 270 D HN 0.267 nan 8.370 nan 0.000 0.494 271 E N 1.514 121.729 120.200 0.025 0.000 2.106 271 E HA -0.075 4.274 4.350 -0.000 0.000 0.192 271 E C 0.753 177.323 176.600 -0.050 0.000 0.984 271 E CA 0.897 57.236 56.400 -0.102 0.000 0.806 271 E CB 0.181 29.611 29.700 -0.450 0.000 0.750 271 E HN 0.497 nan 8.360 nan 0.000 0.458 272 D N -0.390 119.998 120.400 -0.021 0.000 2.214 272 D HA 0.014 4.654 4.640 -0.000 0.000 0.217 272 D C 0.176 176.494 176.300 0.031 0.000 0.973 272 D CA 0.250 54.263 54.000 0.022 0.000 0.880 272 D CB 0.208 41.062 40.800 0.090 0.000 1.031 272 D HN 0.009 nan 8.370 nan 0.000 0.468 273 L N 2.204 123.451 121.223 0.041 0.000 2.410 273 L HA 0.213 4.553 4.340 -0.000 0.000 0.273 273 L C -1.799 175.047 176.870 -0.040 0.000 1.144 273 L CA -1.142 53.691 54.840 -0.011 0.000 0.863 273 L CB 1.015 43.029 42.059 -0.075 0.000 1.140 273 L HN 0.110 nan 8.230 nan 0.000 0.463 274 P HA 0.196 nan 4.420 nan 0.000 0.212 274 P C -1.389 175.431 177.300 -0.798 0.000 1.816 274 P CA -0.010 62.844 63.100 -0.410 0.000 0.944 274 P CB -0.140 31.302 31.700 -0.429 0.000 1.896 275 Y N -1.827 118.403 120.300 -0.117 0.000 2.597 275 Y HA 0.305 4.855 4.550 -0.000 0.000 0.340 275 Y C 0.022 175.846 175.900 -0.127 0.000 1.097 275 Y CA -1.244 56.784 58.100 -0.119 0.000 1.037 275 Y CB 1.680 40.093 38.460 -0.078 0.000 1.305 275 Y HN -0.316 nan 8.280 nan 0.000 0.463 276 V N 4.158 124.034 119.914 -0.063 0.000 2.432 276 V HA 0.518 4.638 4.120 -0.000 0.000 0.275 276 V C -0.699 175.326 176.094 -0.114 0.000 1.043 276 V CA -0.398 61.778 62.300 -0.207 0.000 0.925 276 V CB 0.173 31.833 31.823 -0.271 0.000 0.985 276 V HN 0.613 nan 8.190 nan 0.000 0.466 277 F N 2.816 122.652 119.950 -0.190 0.000 2.686 277 F HA 0.948 5.475 4.527 -0.000 0.000 0.311 277 F C -0.473 175.375 175.800 0.080 0.000 1.128 277 F CA -1.216 56.654 58.000 -0.217 0.000 0.946 277 F CB 1.395 40.279 39.000 -0.195 0.000 1.336 277 F HN 0.568 nan 8.300 nan 0.000 0.457 278 A N 1.177 124.215 122.820 0.364 0.000 2.355 278 A HA 0.976 5.296 4.320 -0.000 0.000 0.324 278 A C -1.255 176.561 177.584 0.386 0.000 1.117 278 A CA -0.458 51.812 52.037 0.388 0.000 0.785 278 A CB 1.201 20.559 19.000 0.596 0.000 1.254 278 A HN 1.866 nan 8.150 nan 0.000 0.453 279 A N 0.850 123.842 122.820 0.286 0.000 2.374 279 A HA 0.807 5.127 4.320 -0.000 0.000 0.305 279 A C 0.247 177.920 177.584 0.148 0.000 1.053 279 A CA 0.100 52.277 52.037 0.233 0.000 0.726 279 A CB 1.168 20.329 19.000 0.268 0.000 1.229 279 A HN 1.801 nan 8.150 nan 0.000 0.431 280 G N -0.359 108.497 108.800 0.093 0.000 2.990 280 G HA2 0.498 4.458 3.960 -0.000 0.000 0.208 280 G HA3 0.498 4.458 3.960 -0.000 0.000 0.208 280 G C 0.266 175.131 174.900 -0.057 0.000 1.334 280 G CA 0.105 45.231 45.100 0.042 0.000 1.024 280 G HN 0.728 nan 8.290 nan 0.000 0.574 281 S N 0.612 116.221 115.700 -0.151 0.000 2.602 281 S HA 0.161 4.631 4.470 -0.000 0.000 0.240 281 S C 0.700 174.813 174.600 -0.811 0.000 0.992 281 S CA -0.414 57.632 58.200 -0.257 0.000 0.971 281 S CB 0.012 63.240 63.200 0.046 0.000 0.855 281 S HN 0.688 nan 8.310 nan 0.000 0.481 285 P HA 0.444 nan 4.420 nan 0.000 0.277 285 P C 0.488 177.920 177.300 0.220 0.000 1.240 285 P CA 0.472 63.661 63.100 0.148 0.000 0.798 285 P CB 1.059 32.826 31.700 0.112 0.000 0.979 286 G N 0.347 109.260 108.800 0.189 0.000 2.159 286 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.227 286 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.227 286 G C -0.261 174.747 174.900 0.180 0.000 0.986 286 G CA -0.544 44.657 45.100 0.168 0.000 0.651 286 G HN 0.498 nan 8.290 nan 0.000 0.523 287 F N 4.008 123.991 119.950 0.054 0.000 2.375 287 F HA 0.563 5.090 4.527 -0.000 0.000 0.362 287 F C 1.276 177.088 175.800 0.020 0.000 1.129 287 F CA 0.038 58.060 58.000 0.036 0.000 1.154 287 F CB 0.519 39.545 39.000 0.043 0.000 1.205 287 F HN 0.284 nan 8.300 nan 0.000 0.513 288 T N 1.091 115.471 114.554 -0.290 0.000 2.802 288 T HA 0.082 4.431 4.350 -0.000 0.000 0.305 288 T C 1.109 175.660 174.700 -0.247 0.000 1.053 288 T CA -0.299 61.675 62.100 -0.211 0.000 1.058 288 T CB 1.149 69.901 68.868 -0.193 0.000 0.988 288 T HN 0.664 nan 8.240 nan 0.000 0.539 289 E N 0.014 120.148 120.200 -0.110 0.000 2.106 289 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 289 E C 2.493 179.040 176.600 -0.088 0.000 0.984 289 E CA 1.426 57.789 56.400 -0.061 0.000 0.806 289 E CB -0.639 29.055 29.700 -0.011 0.000 0.750 289 E HN 0.633 nan 8.360 nan 0.000 0.458 290 Q N -0.329 119.408 119.800 -0.105 0.000 2.224 290 Q HA -0.100 4.240 4.340 -0.000 0.000 0.203 290 Q C 2.100 177.996 176.000 -0.174 0.000 0.970 290 Q CA 1.751 57.501 55.803 -0.087 0.000 0.865 290 Q CB -0.209 28.495 28.738 -0.056 0.000 0.922 290 Q HN 0.590 nan 8.270 nan 0.000 0.445 291 Q N -0.694 118.910 119.800 -0.327 0.000 2.079 291 Q HA -0.074 4.266 4.340 -0.000 0.000 0.200 291 Q C 2.355 178.129 176.000 -0.376 0.000 0.974 291 Q CA 1.495 56.997 55.803 -0.502 0.000 0.840 291 Q CB -0.196 27.937 28.738 -1.008 0.000 0.898 291 Q HN 0.398 nan 8.270 nan 0.000 0.430 292 R N 0.214 120.543 120.500 -0.285 0.000 2.073 292 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 292 R C 2.121 178.488 176.300 0.110 0.000 1.134 292 R CA 1.273 57.452 56.100 0.132 0.000 0.952 292 R CB -0.144 30.272 30.300 0.193 0.000 0.850 292 R HN 0.091 nan 8.270 nan 0.000 0.433 293 V N 1.264 121.208 119.914 0.050 0.000 2.287 293 V HA -0.242 3.877 4.120 -0.000 0.000 0.248 293 V C 2.121 178.284 176.094 0.115 0.000 1.053 293 V CA 2.100 64.462 62.300 0.104 0.000 1.027 293 V CB -0.469 31.422 31.823 0.112 0.000 0.646 293 V HN 0.433 nan 8.190 nan 0.000 0.447 294 E N -0.462 119.706 120.200 -0.053 0.000 2.047 294 E HA -0.272 4.078 4.350 -0.000 0.000 0.191 294 E C 2.302 178.975 176.600 0.121 0.000 0.987 294 E CA 1.328 57.611 56.400 -0.195 0.000 0.799 294 E CB -0.121 29.329 29.700 -0.417 0.000 0.752 294 E HN 0.645 nan 8.360 nan 0.000 0.449 295 Q N 0.582 120.451 119.800 0.115 0.000 2.084 295 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 295 Q C 2.294 178.461 176.000 0.278 0.000 0.978 295 Q CA 1.714 57.640 55.803 0.205 0.000 0.844 295 Q CB -0.095 28.806 28.738 0.272 0.000 0.898 295 Q HN 0.085 nan 8.270 nan 0.000 0.426 296 S N -0.411 115.435 115.700 0.244 0.000 2.356 296 S HA -0.172 4.298 4.470 -0.000 0.000 0.223 296 S C 1.964 176.721 174.600 0.261 0.000 1.032 296 S CA 1.290 59.630 58.200 0.233 0.000 1.005 296 S CB -0.420 62.893 63.200 0.189 0.000 0.867 296 S HN 0.546 nan 8.310 nan 0.000 0.449 297 A N 0.353 123.357 122.820 0.306 0.000 1.933 297 A HA -0.016 4.304 4.320 -0.000 0.000 0.218 297 A C 2.021 179.832 177.584 0.379 0.000 1.175 297 A CA 1.656 53.910 52.037 0.363 0.000 0.628 297 A CB -1.053 18.273 19.000 0.545 0.000 0.814 297 A HN 0.706 nan 8.150 nan 0.000 0.444 298 F N 0.499 120.618 119.950 0.282 0.000 2.163 298 F HA -0.108 4.419 4.527 -0.000 0.000 0.297 298 F C 1.915 177.821 175.800 0.176 0.000 1.094 298 F CA 1.208 59.315 58.000 0.178 0.000 1.290 298 F CB -0.023 38.919 39.000 -0.096 0.000 1.017 298 F HN 0.116 nan 8.300 nan 0.000 0.483 299 I N 0.834 121.594 120.570 0.316 0.000 2.208 299 I HA -0.302 3.867 4.170 -0.000 0.000 0.245 299 I C 1.956 178.191 176.117 0.196 0.000 1.097 299 I CA 1.473 62.961 61.300 0.313 0.000 1.363 299 I CB -1.436 36.791 38.000 0.379 0.000 1.051 299 I HN 0.188 nan 8.210 nan 0.000 0.413 300 D N 0.438 120.930 120.400 0.153 0.000 2.144 300 D HA -0.101 4.538 4.640 -0.000 0.000 0.200 300 D C 2.363 178.691 176.300 0.046 0.000 0.978 300 D CA 1.135 55.203 54.000 0.114 0.000 0.833 300 D CB -0.065 40.804 40.800 0.114 0.000 0.961 300 D HN 0.203 nan 8.370 nan 0.000 0.470 301 S N 0.216 115.891 115.700 -0.041 0.000 2.382 301 S HA -0.116 4.354 4.470 -0.000 0.000 0.228 301 S C 1.612 176.114 174.600 -0.164 0.000 1.027 301 S CA 0.325 58.451 58.200 -0.122 0.000 0.991 301 S CB -0.178 62.910 63.200 -0.188 0.000 0.823 301 S HN 0.185 nan 8.310 nan 0.000 0.469 302 F N 2.358 121.992 119.950 -0.527 0.000 2.206 302 F HA 0.101 4.628 4.527 -0.000 0.000 0.298 302 F C 1.892 177.575 175.800 -0.195 0.000 1.090 302 F CA 0.759 58.411 58.000 -0.580 0.000 1.323 302 F CB -0.574 37.758 39.000 -1.114 0.000 1.028 302 F HN 0.087 nan 8.300 nan 0.000 0.492 303 K N -0.288 120.225 120.400 0.188 0.000 2.103 303 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 303 K C 2.232 178.914 176.600 0.137 0.000 1.048 303 K CA 1.425 57.852 56.287 0.233 0.000 0.930 303 K CB -0.179 32.447 32.500 0.211 0.000 0.716 303 K HN 0.093 nan 8.250 nan 0.000 0.444 304 R N 0.127 120.685 120.500 0.096 0.000 2.148 304 R HA -0.003 4.336 4.340 -0.000 0.000 0.223 304 R C 1.967 178.311 176.300 0.073 0.000 1.088 304 R CA 0.980 57.121 56.100 0.069 0.000 0.985 304 R CB 0.033 30.359 30.300 0.043 0.000 0.880 304 R HN 0.187 nan 8.270 nan 0.000 0.451 305 A N -0.899 121.977 122.820 0.092 0.000 1.975 305 A HA 0.065 4.385 4.320 -0.000 0.000 0.215 305 A C 0.778 178.450 177.584 0.147 0.000 1.170 305 A CA 0.846 52.943 52.037 0.101 0.000 0.656 305 A CB 0.197 19.244 19.000 0.079 0.000 0.821 305 A HN 0.211 nan 8.150 nan 0.000 0.449 306 S N -1.796 114.010 115.700 0.177 0.000 2.614 306 S HA 0.511 4.981 4.470 -0.000 0.000 0.275 306 S C -2.627 172.060 174.600 0.146 0.000 1.161 306 S CA -1.023 57.277 58.200 0.167 0.000 0.969 306 S CB 1.626 64.951 63.200 0.207 0.000 1.059 306 S HN -0.057 nan 8.310 nan 0.000 0.482 307 P HA -0.046 nan 4.420 nan 0.000 0.220 307 P C 0.749 178.123 177.300 0.123 0.000 1.148 307 P CA 0.836 64.004 63.100 0.114 0.000 0.803 307 P CB 0.155 31.915 31.700 0.101 0.000 0.782 308 D N -1.253 119.245 120.400 0.163 0.000 2.144 308 D HA -0.119 4.521 4.640 -0.000 0.000 0.199 308 D C 0.636 176.986 176.300 0.084 0.000 0.984 308 D CA 0.708 54.814 54.000 0.177 0.000 0.834 308 D CB -0.517 40.486 40.800 0.338 0.000 0.955 308 D HN 0.161 nan 8.370 nan 0.000 0.465 309 F N 1.422 121.296 119.950 -0.127 0.000 2.471 309 F HA 0.184 4.711 4.527 -0.000 0.000 0.353 309 F C 0.359 176.074 175.800 -0.143 0.000 1.113 309 F CA -0.252 57.579 58.000 -0.283 0.000 1.262 309 F CB 0.536 39.090 39.000 -0.743 0.000 1.146 309 F HN -0.150 nan 8.300 nan 0.000 0.578 310 Q N 2.690 121.952 119.800 -0.897 0.000 2.565 310 Q HA 0.339 4.679 4.340 -0.000 0.000 0.294 310 Q C -1.394 174.178 176.000 -0.713 0.000 1.005 310 Q CA -0.690 54.777 55.803 -0.560 0.000 0.771 310 Q CB 1.563 30.150 28.738 -0.251 0.000 1.486 310 Q HN 0.497 nan 8.270 nan 0.000 0.422 311 D N -1.026 119.150 120.400 -0.372 0.000 2.556 311 D HA 0.074 4.714 4.640 -0.000 0.000 0.237 311 D C 0.305 176.449 176.300 -0.260 0.000 1.296 311 D CA -0.128 53.718 54.000 -0.256 0.000 0.807 311 D CB 0.312 41.065 40.800 -0.078 0.000 1.084 311 D HN 0.718 nan 8.370 nan 0.000 0.510 312 E N -0.001 119.980 120.200 -0.366 0.000 2.042 312 E HA -0.050 4.299 4.350 -0.000 0.000 0.189 312 E C -0.207 175.987 176.600 -0.677 0.000 0.974 312 E CA 0.553 56.647 56.400 -0.510 0.000 0.806 312 E CB 0.210 29.526 29.700 -0.641 0.000 0.769 312 E HN 0.393 nan 8.360 nan 0.000 0.451 313 H N -1.415 117.354 119.070 -0.502 0.000 2.483 313 H HA 0.618 5.174 4.556 -0.000 0.000 0.338 313 H C 0.174 175.122 175.328 -0.633 0.000 1.152 313 H CA 0.042 55.726 56.048 -0.606 0.000 1.264 313 H CB 1.927 31.111 29.762 -0.962 0.000 1.510 313 H HN 0.294 nan 8.280 nan 0.000 0.530 314 G N 0.079 108.494 108.800 -0.641 0.000 2.323 314 G HA2 0.117 4.077 3.960 -0.000 0.000 0.291 314 G HA3 0.117 4.077 3.960 -0.000 0.000 0.291 314 G C -2.035 172.345 174.900 -0.867 0.000 1.278 314 G CA -0.922 43.528 45.100 -1.083 0.000 0.860 314 G HN 0.352 nan 8.290 nan 0.000 0.504 315 Y N 1.393 121.391 120.300 -0.502 0.000 2.354 315 Y HA 0.598 5.148 4.550 -0.000 0.000 0.322 315 Y C -1.223 174.561 175.900 -0.193 0.000 1.253 315 Y CA -1.550 56.382 58.100 -0.281 0.000 1.272 315 Y CB 0.697 39.032 38.460 -0.208 0.000 1.255 315 Y HN 0.395 nan 8.280 nan 0.000 0.500 316 P HA 0.133 nan 4.420 nan 0.000 0.272 316 P C -2.100 175.177 177.300 -0.040 0.000 1.240 316 P CA -1.250 61.835 63.100 -0.024 0.000 0.791 316 P CB 0.344 32.027 31.700 -0.027 0.000 0.978 317 P HA -0.109 nan 4.420 nan 0.000 0.215 317 P C 1.136 178.394 177.300 -0.070 0.000 1.157 317 P CA 1.551 64.618 63.100 -0.056 0.000 0.868 317 P CB -0.440 31.226 31.700 -0.058 0.000 0.788 318 G N -0.030 108.724 108.800 -0.076 0.000 3.374 318 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.252 318 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.252 318 G C 1.332 176.149 174.900 -0.140 0.000 1.326 318 G CA -0.115 44.934 45.100 -0.085 0.000 1.133 318 G HN 0.211 nan 8.290 nan 0.000 0.528 319 K N 0.242 120.510 120.400 -0.221 0.000 2.057 319 K HA -0.061 4.259 4.320 -0.000 0.000 0.206 319 K C 0.312 176.550 176.600 -0.603 0.000 1.050 319 K CA 1.127 57.122 56.287 -0.487 0.000 0.935 319 K CB -0.147 31.938 32.500 -0.691 0.000 0.715 319 K HN 0.386 nan 8.250 nan 0.000 0.439 320 Y N -1.490 118.765 120.300 -0.075 0.000 2.666 320 Y HA 0.341 4.891 4.550 -0.000 0.000 0.264 320 Y C 1.404 177.250 175.900 -0.090 0.000 1.054 320 Y CA -0.029 58.026 58.100 -0.074 0.000 1.121 320 Y CB -0.057 38.360 38.460 -0.071 0.000 1.190 320 Y HN 0.029 nan 8.280 nan 0.000 0.587 321 R N 0.621 121.124 120.500 0.005 0.000 2.159 321 R HA -0.119 4.221 4.340 -0.000 0.000 0.237 321 R C 1.873 178.154 176.300 -0.031 0.000 1.131 321 R CA 1.982 58.058 56.100 -0.040 0.000 0.982 321 R CB -1.321 28.949 30.300 -0.050 0.000 0.868 321 R HN 0.578 nan 8.270 nan 0.000 0.453 322 E N 1.576 121.781 120.200 0.008 0.000 2.028 322 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 322 E C 1.841 178.452 176.600 0.018 0.000 0.988 322 E CA 1.132 57.541 56.400 0.015 0.000 0.799 322 E CB -0.489 29.228 29.700 0.029 0.000 0.755 322 E HN 0.681 nan 8.360 nan 0.000 0.447 323 D N -0.335 120.092 120.400 0.045 0.000 2.371 323 D HA 0.217 4.857 4.640 -0.000 0.000 0.221 323 D C 1.545 177.829 176.300 -0.027 0.000 0.986 323 D CA 0.918 54.934 54.000 0.026 0.000 0.899 323 D CB -0.067 40.752 40.800 0.031 0.000 0.902 323 D HN 0.645 nan 8.370 nan 0.000 0.530 324 A N 1.067 123.824 122.820 -0.106 0.000 5.264 324 A HA -0.350 3.970 4.320 -0.000 0.000 0.342 324 A C 1.017 178.379 177.584 -0.370 0.000 1.706 324 A CA 1.790 53.627 52.037 -0.333 0.000 0.706 324 A CB -1.670 17.174 19.000 -0.260 0.000 1.455 324 A HN 0.275 nan 8.150 nan 0.000 0.402 325 F N 1.467 121.433 119.950 0.025 0.000 2.692 325 F HA 0.229 4.756 4.527 -0.000 0.000 0.303 325 F C 1.862 177.738 175.800 0.126 0.000 1.114 325 F CA 0.868 58.908 58.000 0.068 0.000 1.361 325 F CB 0.082 39.104 39.000 0.036 0.000 1.063 325 F HN 0.368 nan 8.300 nan 0.000 0.550 326 K N -0.079 120.432 120.400 0.185 0.000 2.366 326 K HA 0.019 4.339 4.320 -0.000 0.000 0.198 326 K C 0.237 176.951 176.600 0.191 0.000 1.044 326 K CA 0.437 56.826 56.287 0.169 0.000 0.973 326 K CB 0.051 32.610 32.500 0.098 0.000 0.767 326 K HN 0.137 nan 8.250 nan 0.000 0.475 327 L N 0.331 121.601 121.223 0.079 0.000 2.326 327 L HA 0.122 4.462 4.340 -0.000 0.000 0.278 327 L C 1.290 178.070 176.870 -0.150 0.000 1.092 327 L CA 0.140 54.962 54.840 -0.029 0.000 0.810 327 L CB 1.125 43.111 42.059 -0.122 0.000 1.153 327 L HN -0.008 nan 8.230 nan 0.000 0.439 328 A N 2.185 124.689 122.820 -0.526 0.000 1.873 328 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 328 A C 2.223 179.519 177.584 -0.479 0.000 1.193 328 A CA 2.277 53.645 52.037 -1.116 0.000 0.629 328 A CB -0.865 17.354 19.000 -1.301 0.000 0.826 328 A HN 0.866 nan 8.150 nan 0.000 0.447 329 S N -0.575 115.059 115.700 -0.110 0.000 2.402 329 S HA -0.121 4.349 4.470 -0.000 0.000 0.229 329 S C 1.811 176.414 174.600 0.004 0.000 1.021 329 S CA 1.502 59.733 58.200 0.052 0.000 0.974 329 S CB -0.231 63.058 63.200 0.147 0.000 0.800 329 S HN 0.435 nan 8.310 nan 0.000 0.484 330 K N 0.786 121.198 120.400 0.020 0.000 2.057 330 K HA 0.068 4.388 4.320 -0.000 0.000 0.206 330 K C 1.886 178.643 176.600 0.263 0.000 1.050 330 K CA 1.393 57.738 56.287 0.097 0.000 0.935 330 K CB -0.793 31.699 32.500 -0.013 0.000 0.715 330 K HN 0.550 nan 8.250 nan 0.000 0.439 331 Y N 0.767 121.127 120.300 0.100 0.000 2.145 331 Y HA -0.209 4.341 4.550 -0.000 0.000 0.286 331 Y C 1.676 177.574 175.900 -0.003 0.000 1.145 331 Y CA 1.455 59.625 58.100 0.116 0.000 1.148 331 Y CB -0.052 38.449 38.460 0.068 0.000 0.981 331 Y HN -0.069 nan 8.280 nan 0.000 0.507 332 I N 0.357 120.848 120.570 -0.132 0.000 2.226 332 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 332 I C 2.693 178.761 176.117 -0.081 0.000 1.100 332 I CA 1.593 62.764 61.300 -0.215 0.000 1.374 332 I CB -2.008 35.524 38.000 -0.780 0.000 1.057 332 I HN 0.439 nan 8.210 nan 0.000 0.413 333 G N 0.067 108.842 108.800 -0.041 0.000 2.469 333 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.219 333 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.219 333 G C 1.725 176.637 174.900 0.021 0.000 1.150 333 G CA 1.078 46.203 45.100 0.041 0.000 0.763 333 G HN 0.445 nan 8.290 nan 0.000 0.561 334 H N 0.685 119.700 119.070 -0.092 0.000 2.372 334 H HA 0.010 4.566 4.556 -0.000 0.000 0.301 334 H C 2.745 177.851 175.328 -0.369 0.000 1.065 334 H CA 1.624 57.562 56.048 -0.182 0.000 1.364 334 H CB 0.141 29.758 29.762 -0.243 0.000 1.406 334 H HN 0.283 nan 8.280 nan 0.000 0.521 335 R N 0.193 120.398 120.500 -0.490 0.000 2.096 335 R HA -0.094 4.245 4.340 -0.000 0.000 0.235 335 R C 1.422 177.269 176.300 -0.756 0.000 1.127 335 R CA 1.668 57.318 56.100 -0.750 0.000 0.968 335 R CB -0.742 28.905 30.300 -1.089 0.000 0.861 335 R HN 0.254 nan 8.270 nan 0.000 0.440 336 F N -1.405 118.391 119.950 -0.257 0.000 2.724 336 F HA 0.387 4.914 4.527 -0.000 0.000 0.306 336 F C 1.451 177.149 175.800 -0.170 0.000 1.100 336 F CA 0.306 58.193 58.000 -0.189 0.000 1.255 336 F CB 0.433 39.337 39.000 -0.160 0.000 1.072 336 F HN 0.232 nan 8.300 nan 0.000 0.589 337 G N 1.275 110.049 108.800 -0.043 0.000 2.258 337 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.274 337 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.274 337 G C 0.373 175.241 174.900 -0.052 0.000 1.021 337 G CA 0.345 45.400 45.100 -0.076 0.000 0.798 337 G HN 0.553 nan 8.290 nan 0.000 0.507 338 C N -1.956 117.335 119.300 -0.016 0.000 2.451 338 C HA 0.875 5.335 4.460 -0.000 0.000 0.391 338 C C 0.967 175.904 174.990 -0.089 0.000 1.286 338 C CA -1.782 57.203 59.018 -0.055 0.000 1.935 338 C CB 0.924 28.635 27.740 -0.047 0.000 2.188 338 C HN 0.958 nan 8.230 nan 0.000 0.523 339 L N 2.179 123.312 121.223 -0.151 0.000 2.513 339 L HA 0.421 4.760 4.340 -0.000 0.000 0.272 339 L C 0.319 177.015 176.870 -0.290 0.000 1.187 339 L CA 1.223 55.921 54.840 -0.238 0.000 0.895 339 L CB 0.425 42.245 42.059 -0.398 0.000 1.147 339 L HN 0.956 nan 8.230 nan 0.000 0.483 340 S N 6.020 121.602 115.700 -0.196 0.000 2.736 340 S HA 0.714 5.183 4.470 -0.000 0.000 0.285 340 S C -1.104 173.442 174.600 -0.089 0.000 1.163 340 S CA -0.680 57.452 58.200 -0.113 0.000 1.025 340 S CB 0.377 63.597 63.200 0.033 0.000 1.030 340 S HN 0.622 nan 8.310 nan 0.000 0.486 341 L N 2.938 124.057 121.223 -0.174 0.000 2.393 341 L HA 0.594 4.934 4.340 -0.000 0.000 0.260 341 L C -0.291 176.597 176.870 0.029 0.000 1.002 341 L CA -0.811 54.008 54.840 -0.035 0.000 0.818 341 L CB 2.706 44.761 42.059 -0.007 0.000 1.369 341 L HN 0.479 nan 8.230 nan 0.000 0.412 342 T N 2.672 117.279 114.554 0.087 0.000 2.795 342 T HA 0.539 4.888 4.350 -0.000 0.000 0.282 342 T C -0.747 174.004 174.700 0.085 0.000 0.980 342 T CA -0.248 61.903 62.100 0.086 0.000 1.012 342 T CB 1.367 70.275 68.868 0.066 0.000 0.936 342 T HN 0.223 nan 8.240 nan 0.000 0.457 343 L N 3.438 124.682 121.223 0.035 0.000 2.322 343 L HA 0.767 5.107 4.340 -0.000 0.000 0.281 343 L C -0.279 176.473 176.870 -0.196 0.000 1.014 343 L CA -0.324 54.505 54.840 -0.018 0.000 0.815 343 L CB 1.679 43.748 42.059 0.017 0.000 1.247 343 L HN 0.609 nan 8.230 nan 0.000 0.421 347 F N 0.654 120.524 119.950 -0.134 0.000 2.512 347 F HA 0.106 4.633 4.527 -0.000 0.000 0.296 347 F C 2.179 178.120 175.800 0.235 0.000 1.110 347 F CA 0.845 58.815 58.000 -0.050 0.000 1.446 347 F CB 0.259 39.078 39.000 -0.302 0.000 1.092 347 F HN 0.194 nan 8.300 nan 0.000 0.554 348 K N -0.738 119.852 120.400 0.316 0.000 2.079 348 K HA 0.064 4.384 4.320 -0.000 0.000 0.214 348 K C -0.034 176.681 176.600 0.191 0.000 1.024 348 K CA 0.820 57.266 56.287 0.265 0.000 0.948 348 K CB -0.033 32.571 32.500 0.173 0.000 0.830 348 K HN -0.080 nan 8.250 nan 0.000 0.452 349 D N -1.332 119.131 120.400 0.105 0.000 2.725 349 D HA 0.071 4.710 4.640 -0.000 0.000 0.292 349 D C -1.941 174.348 176.300 -0.019 0.000 1.288 349 D CA -0.650 53.428 54.000 0.129 0.000 0.784 349 D CB 0.992 41.839 40.800 0.078 0.000 1.308 349 D HN -0.033 nan 8.370 nan 0.000 0.429 350 N N 0.484 119.218 118.700 0.057 0.000 2.415 350 N HA 0.363 5.102 4.740 -0.000 0.000 0.246 350 N C 0.558 176.000 175.510 -0.113 0.000 1.078 350 N CA 0.242 53.242 53.050 -0.083 0.000 0.942 350 N CB 1.089 39.625 38.487 0.082 0.000 1.140 350 N HN 0.431 nan 8.380 nan 0.000 0.501 351 A N 4.344 126.958 122.820 -0.343 0.000 1.978 351 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 351 A C 1.837 179.381 177.584 -0.066 0.000 1.170 351 A CA 1.220 53.098 52.037 -0.265 0.000 0.636 351 A CB -0.274 18.424 19.000 -0.503 0.000 0.810 351 A HN 0.727 nan 8.150 nan 0.000 0.448 352 N N -0.483 118.229 118.700 0.021 0.000 2.188 352 N HA -0.022 4.718 4.740 -0.000 0.000 0.184 352 N C 0.342 175.898 175.510 0.078 0.000 1.018 352 N CA 0.995 54.110 53.050 0.109 0.000 0.858 352 N CB -0.142 38.443 38.487 0.164 0.000 0.989 352 N HN 0.453 nan 8.380 nan 0.000 0.426 353 L N 1.484 122.753 121.223 0.077 0.000 2.551 353 L HA 0.349 4.689 4.340 -0.000 0.000 0.248 353 L C -2.491 174.434 176.870 0.091 0.000 1.509 353 L CA -1.344 53.549 54.840 0.088 0.000 0.842 353 L CB 1.932 44.062 42.059 0.117 0.000 1.087 353 L HN -0.132 nan 8.230 nan 0.000 0.512 354 P HA 0.175 nan 4.420 nan 0.000 0.274 354 P C -1.075 176.263 177.300 0.063 0.000 1.246 354 P CA -0.118 63.018 63.100 0.060 0.000 0.795 354 P CB 1.567 33.288 31.700 0.035 0.000 1.006 355 D N -0.220 120.218 120.400 0.063 0.000 2.602 355 D HA 0.034 4.673 4.640 -0.000 0.000 0.245 355 D C 0.719 177.056 176.300 0.062 0.000 1.325 355 D CA -0.301 53.735 54.000 0.059 0.000 0.952 355 D CB 1.713 42.544 40.800 0.052 0.000 1.317 355 D HN 0.091 nan 8.370 nan 0.000 0.577 356 E N 2.065 122.307 120.200 0.070 0.000 2.077 356 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 356 E C 1.645 178.301 176.600 0.093 0.000 0.989 356 E CA 1.250 57.692 56.400 0.071 0.000 0.800 356 E CB -0.323 29.420 29.700 0.071 0.000 0.746 356 E HN 0.639 nan 8.360 nan 0.000 0.452 357 H N -0.204 118.881 119.070 0.024 0.000 2.353 357 H HA -0.058 4.498 4.556 -0.000 0.000 0.300 357 H C 2.150 177.507 175.328 0.048 0.000 1.090 357 H CA 1.928 58.000 56.048 0.040 0.000 1.327 357 H CB 0.112 29.887 29.762 0.021 0.000 1.383 357 H HN 0.522 nan 8.280 nan 0.000 0.508 358 I N -3.709 116.854 120.570 -0.013 0.000 4.403 358 I HA 0.360 4.530 4.170 -0.000 0.000 0.331 358 I C 1.377 177.435 176.117 -0.098 0.000 1.327 358 I CA 0.285 61.524 61.300 -0.101 0.000 1.175 358 I CB 0.848 38.806 38.000 -0.069 0.000 1.165 358 I HN 0.262 nan 8.210 nan 0.000 0.413 359 G N 2.195 110.982 108.800 -0.022 0.000 2.594 359 G HA2 -0.351 3.608 3.960 -0.000 0.000 0.297 359 G HA3 -0.351 3.608 3.960 -0.000 0.000 0.297 359 G C -0.476 174.487 174.900 0.105 0.000 1.273 359 G CA 0.357 45.485 45.100 0.047 0.000 0.974 359 G HN 0.529 nan 8.290 nan 0.000 0.552 360 W N 2.920 124.227 121.300 0.011 0.000 2.261 360 W HA 0.511 5.171 4.660 -0.000 0.000 0.323 360 W C 0.325 176.841 176.519 -0.005 0.000 1.243 360 W CA 0.428 57.813 57.345 0.068 0.000 1.210 360 W CB 0.986 30.534 29.460 0.146 0.000 1.149 360 W HN 1.085 nan 8.180 nan 0.000 0.562 361 N N 1.547 119.904 118.700 -0.571 0.000 3.344 361 N HA 0.270 5.010 4.740 -0.000 0.000 0.296 361 N C 0.548 175.675 175.510 -0.638 0.000 1.571 361 N CA -0.014 52.657 53.050 -0.631 0.000 0.844 361 N CB 0.169 38.307 38.487 -0.581 0.000 1.718 361 N HN 0.369 nan 8.380 nan 0.000 0.589 362 G N -0.191 108.064 108.800 -0.908 0.000 2.418 362 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.217 362 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.217 362 G C 1.306 175.809 174.900 -0.663 0.000 1.158 362 G CA 1.860 46.177 45.100 -1.306 0.000 0.771 362 G HN 0.864 nan 8.290 nan 0.000 0.545 363 A N 0.792 123.265 122.820 -0.579 0.000 1.898 363 A HA 0.011 4.331 4.320 -0.000 0.000 0.216 363 A C 2.459 179.867 177.584 -0.293 0.000 1.181 363 A CA 1.590 53.432 52.037 -0.325 0.000 0.620 363 A CB -0.348 18.497 19.000 -0.259 0.000 0.819 363 A HN 0.371 nan 8.150 nan 0.000 0.442 364 R N -0.274 119.924 120.500 -0.504 0.000 2.092 364 R HA -0.047 4.292 4.340 -0.000 0.000 0.231 364 R C 2.479 178.477 176.300 -0.504 0.000 1.119 364 R CA 1.468 57.166 56.100 -0.671 0.000 0.970 364 R CB -0.377 29.152 30.300 -1.285 0.000 0.864 364 R HN 0.487 nan 8.270 nan 0.000 0.440 365 S N 1.005 116.471 115.700 -0.390 0.000 2.356 365 S HA -0.131 4.339 4.470 -0.000 0.000 0.223 365 S C 2.138 176.852 174.600 0.190 0.000 1.032 365 S CA 1.247 59.575 58.200 0.214 0.000 1.005 365 S CB -0.192 63.226 63.200 0.363 0.000 0.867 365 S HN 0.474 nan 8.310 nan 0.000 0.449 366 A N 1.354 124.228 122.820 0.089 0.000 1.933 366 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 366 A C 2.317 179.893 177.584 -0.013 0.000 1.175 366 A CA 1.840 53.912 52.037 0.058 0.000 0.628 366 A CB -0.802 18.274 19.000 0.127 0.000 0.814 366 A HN 0.442 nan 8.150 nan 0.000 0.444 367 S N -0.623 115.083 115.700 0.011 0.000 2.368 367 S HA -0.106 4.363 4.470 -0.000 0.000 0.224 367 S C 1.828 176.457 174.600 0.049 0.000 1.029 367 S CA 1.297 59.532 58.200 0.057 0.000 0.988 367 S CB -0.378 62.852 63.200 0.051 0.000 0.838 367 S HN 0.476 nan 8.310 nan 0.000 0.462 368 L N 2.100 123.388 121.223 0.109 0.000 2.083 368 L HA 0.013 4.353 4.340 -0.000 0.000 0.209 368 L C 2.223 179.045 176.870 -0.079 0.000 1.083 368 L CA 1.853 56.827 54.840 0.223 0.000 0.752 368 L CB -1.232 41.145 42.059 0.531 0.000 0.899 368 L HN 0.309 nan 8.230 nan 0.000 0.433 369 G N -1.167 107.269 108.800 -0.607 0.000 2.421 369 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.216 369 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.216 369 G C 1.613 176.098 174.900 -0.692 0.000 1.171 369 G CA 0.778 45.039 45.100 -1.399 0.000 0.775 369 G HN 0.607 nan 8.290 nan 0.000 0.543 370 A N 0.954 123.499 122.820 -0.458 0.000 1.933 370 A HA 0.439 4.759 4.320 -0.000 0.000 0.218 370 A C 1.999 179.339 177.584 -0.406 0.000 1.175 370 A CA 1.661 53.397 52.037 -0.502 0.000 0.628 370 A CB -0.754 17.999 19.000 -0.412 0.000 0.814 370 A HN 0.915 nan 8.150 nan 0.000 0.444 374 G N 0.619 109.294 108.800 -0.208 0.000 2.418 374 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.217 374 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.217 374 G C 1.571 176.397 174.900 -0.125 0.000 1.158 374 G CA 1.194 46.212 45.100 -0.136 0.000 0.771 374 G HN 0.383 nan 8.290 nan 0.000 0.545 375 A N 0.686 123.383 122.820 -0.205 0.000 1.930 375 A HA 0.091 4.410 4.320 -0.000 0.000 0.217 375 A C 2.382 179.943 177.584 -0.039 0.000 1.175 375 A CA 1.191 53.069 52.037 -0.264 0.000 0.627 375 A CB -0.317 18.279 19.000 -0.674 0.000 0.815 375 A HN 0.383 nan 8.150 nan 0.000 0.443 376 I N -0.822 119.767 120.570 0.032 0.000 2.315 376 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 376 I C 2.380 178.572 176.117 0.125 0.000 1.117 376 I CA 0.915 62.332 61.300 0.195 0.000 1.404 376 I CB -0.261 37.825 38.000 0.142 0.000 1.071 376 I HN 0.365 nan 8.210 nan 0.000 0.419 377 L N 0.898 122.127 121.223 0.009 0.000 2.017 377 L HA -0.193 4.146 4.340 -0.000 0.000 0.208 377 L C 2.373 179.215 176.870 -0.047 0.000 1.073 377 L CA 1.888 56.690 54.840 -0.064 0.000 0.745 377 L CB -0.677 41.327 42.059 -0.090 0.000 0.894 377 L HN 0.181 nan 8.230 nan 0.000 0.432 378 E N -1.380 118.821 120.200 0.003 0.000 2.070 378 E HA -0.336 4.014 4.350 -0.000 0.000 0.197 378 E C 2.164 178.827 176.600 0.106 0.000 1.004 378 E CA 1.657 58.074 56.400 0.028 0.000 0.805 378 E CB -0.165 29.555 29.700 0.033 0.000 0.744 378 E HN 0.651 nan 8.360 nan 0.000 0.451 379 H N -0.205 118.952 119.070 0.144 0.000 2.293 379 H HA -0.089 4.466 4.556 -0.000 0.000 0.300 379 H C 2.028 177.533 175.328 0.296 0.000 1.082 379 H CA 1.700 57.945 56.048 0.328 0.000 1.308 379 H CB -0.198 29.831 29.762 0.445 0.000 1.375 379 H HN -0.032 nan 8.280 nan 0.000 0.495 380 V N 0.653 120.691 119.914 0.208 0.000 2.407 380 V HA -0.242 3.877 4.120 -0.000 0.000 0.248 380 V C 2.460 178.539 176.094 -0.024 0.000 1.055 380 V CA 2.079 64.427 62.300 0.079 0.000 1.049 380 V CB -0.364 31.456 31.823 -0.004 0.000 0.662 380 V HN 0.420 nan 8.190 nan 0.000 0.455 381 R N -0.206 120.223 120.500 -0.118 0.000 2.073 381 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 381 R C 2.343 178.578 176.300 -0.107 0.000 1.134 381 R CA 1.503 57.550 56.100 -0.089 0.000 0.952 381 R CB -0.550 29.694 30.300 -0.095 0.000 0.850 381 R HN 0.522 nan 8.270 nan 0.000 0.433 382 A N 0.147 122.849 122.820 -0.197 0.000 2.067 382 A HA 0.005 4.324 4.320 -0.000 0.000 0.219 382 A C 0.404 177.485 177.584 -0.838 0.000 1.158 382 A CA 1.011 52.739 52.037 -0.515 0.000 0.661 382 A CB 0.003 18.614 19.000 -0.649 0.000 0.801 382 A HN 0.137 nan 8.150 nan 0.000 0.452 383 F N 0.000 119.857 119.950 -0.154 0.000 2.286 383 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 383 F CA 0.000 57.924 58.000 -0.127 0.000 1.383 383 F CB 0.000 38.864 39.000 -0.227 0.000 1.145 383 F HN 0.000 nan 8.300 nan 0.000 0.574