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 3kv4_1_A DATA FIRST_RESID 3 DATA SEQUENCE SVPVYCLCRL PYDVTRFMIE CDMCQDWFHG SCVGVEEEKA ADIDLYHCPN DATA SEQUENCE CEVLHGPSIM KKXXXXXXXX XXXXXKPVKT GSPTFVRELR SRTFDSSDEV DATA SEQUENCE ILKPTGNQLT VEFLEENSFS VPILVLKKDG LGMTLPSPSF TVRDVEHYVG DATA SEQUENCE SDKEIDVIDV TRQADCKMKL GDFVKYYYSG KREKVLNVIS LEFSDTRLSN DATA SEQUENCE LVETPKIVRK LSWVENLWPE ECVFERPNVQ KYCLMSVRDS YTDFHIDFGG DATA SEQUENCE TSVWYHVLKG EKIFYLIRPT NANLTLFECW SSSSNQNEMF FGDQVDKCYK DATA SEQUENCE CSVKQGQTLF IPTGWIHAVL TPVDCLAFGG NFLHSLNIEM QLKAYEIEKR DATA SEQUENCE LSTADLFRFP NFETICWYVG KHILDIFRGL RENRRHPASY LVHGGKALNL DATA SEQUENCE AFRAWTRKEA LPDHEDEIPE TVRTVQLIKD LAREIRLVED IFQQN 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.595 174.600 -0.008 0.000 1.055 3 S CA 0.000 58.197 58.200 -0.004 0.000 1.107 3 S CB 0.000 63.198 63.200 -0.004 0.000 0.593 4 V N 5.065 124.971 119.914 -0.013 0.000 2.417 4 V HA 0.714 4.834 4.120 -0.001 0.000 0.291 4 V C -1.767 174.299 176.094 -0.047 0.000 1.024 4 V CA -1.323 60.970 62.300 -0.012 0.000 0.861 4 V CB 1.314 33.140 31.823 0.005 0.000 0.985 4 V HN 0.783 nan 8.190 nan 0.000 0.436 5 P HA 0.444 nan 4.420 nan 0.000 0.275 5 P C -0.815 176.313 177.300 -0.286 0.000 1.228 5 P CA -0.075 62.899 63.100 -0.211 0.000 0.786 5 P CB 1.610 33.168 31.700 -0.237 0.000 0.927 6 V N -0.177 119.469 119.914 -0.448 0.000 3.046 6 V HA 0.717 4.836 4.120 -0.001 0.000 0.316 6 V C -1.046 174.664 176.094 -0.641 0.000 1.104 6 V CA -0.817 61.282 62.300 -0.335 0.000 1.006 6 V CB 1.584 33.330 31.823 -0.129 0.000 1.058 6 V HN 0.547 nan 8.190 nan 0.000 0.440 7 Y N 0.045 120.305 120.300 -0.066 0.000 2.818 7 Y HA 0.769 5.319 4.550 -0.001 0.000 0.322 7 Y C 0.580 176.331 175.900 -0.248 0.000 1.323 7 Y CA -0.141 57.861 58.100 -0.164 0.000 1.090 7 Y CB 0.622 38.986 38.460 -0.161 0.000 1.328 7 Y HN 1.275 nan 8.280 nan 0.000 0.482 8 C N -0.132 118.969 119.300 -0.332 0.000 0.168 8 C HA -0.272 4.188 4.460 -0.001 0.000 0.017 8 C C 1.782 176.713 174.990 -0.097 0.000 0.171 8 C CA 0.110 58.863 59.018 -0.442 0.000 0.499 8 C CB -1.119 26.532 27.740 -0.149 0.000 3.212 8 C HN 0.873 nan 8.230 nan 0.000 1.118 9 L N 1.426 122.758 121.223 0.180 0.000 2.201 9 L HA -0.076 4.263 4.340 -0.001 0.000 0.212 9 L C 2.389 179.342 176.870 0.140 0.000 1.105 9 L CA 1.952 56.922 54.840 0.217 0.000 0.775 9 L CB -0.595 41.629 42.059 0.274 0.000 0.913 9 L HN 0.972 nan 8.230 nan 0.000 0.440 10 C N -2.135 117.257 119.300 0.153 0.000 2.500 10 C HA 0.173 4.633 4.460 -0.001 0.000 0.273 10 C C 1.307 176.353 174.990 0.094 0.000 1.428 10 C CA -0.805 58.291 59.018 0.129 0.000 1.766 10 C CB -0.532 27.307 27.740 0.166 0.000 1.817 10 C HN 0.545 nan 8.230 nan 0.000 0.543 11 R N 0.226 120.769 120.500 0.071 0.000 3.336 11 R HA -0.132 4.208 4.340 -0.001 0.000 0.260 11 R C -0.667 175.665 176.300 0.053 0.000 1.032 11 R CA 0.558 56.678 56.100 0.032 0.000 0.693 11 R CB -2.366 27.944 30.300 0.017 0.000 1.134 11 R HN 0.686 nan 8.270 nan 0.000 0.433 12 L N 1.053 122.344 121.223 0.114 0.000 2.330 12 L HA 0.594 4.933 4.340 -0.001 0.000 0.271 12 L C -1.538 175.433 176.870 0.169 0.000 1.013 12 L CA -2.255 52.664 54.840 0.130 0.000 0.816 12 L CB 1.676 43.837 42.059 0.169 0.000 1.287 12 L HN -0.131 nan 8.230 nan 0.000 0.435 13 P HA -0.044 nan 4.420 nan 0.000 0.272 13 P C -0.901 176.553 177.300 0.257 0.000 1.240 13 P CA -0.229 62.978 63.100 0.178 0.000 0.791 13 P CB 0.508 32.266 31.700 0.096 0.000 0.978 14 Y N 0.934 121.344 120.300 0.182 0.000 2.702 14 Y HA 0.002 4.551 4.550 -0.002 0.000 0.336 14 Y C 0.486 176.397 175.900 0.018 0.000 1.235 14 Y CA 0.653 58.778 58.100 0.042 0.000 1.492 14 Y CB 0.265 38.681 38.460 -0.073 0.000 1.308 14 Y HN 0.277 nan 8.280 nan 0.000 0.589 15 D N 5.627 125.548 120.400 -0.798 0.000 2.402 15 D HA 0.033 4.672 4.640 -0.001 0.000 0.252 15 D C 0.022 175.772 176.300 -0.916 0.000 1.294 15 D CA -0.316 53.326 54.000 -0.597 0.000 0.948 15 D CB 1.587 42.242 40.800 -0.242 0.000 1.202 15 D HN 0.522 nan 8.370 nan 0.000 0.561 16 V N 3.846 123.275 119.914 -0.808 0.000 3.186 16 V HA -0.142 3.978 4.120 -0.001 0.000 0.270 16 V C 1.793 177.788 176.094 -0.165 0.000 1.149 16 V CA 2.726 64.767 62.300 -0.432 0.000 1.160 16 V CB -0.566 31.170 31.823 -0.145 0.000 0.758 16 V HN 0.759 nan 8.190 nan 0.000 0.516 17 T N -2.222 112.227 114.554 -0.174 0.000 3.107 17 T HA 0.201 4.550 4.350 -0.001 0.000 0.249 17 T C 0.784 175.464 174.700 -0.034 0.000 1.096 17 T CA -0.116 61.940 62.100 -0.074 0.000 1.012 17 T CB -0.140 68.683 68.868 -0.075 0.000 0.977 17 T HN 0.496 nan 8.240 nan 0.000 0.527 18 R N 0.547 121.022 120.500 -0.043 0.000 2.562 18 R HA 0.514 4.854 4.340 -0.001 0.000 0.298 18 R C -1.122 175.283 176.300 0.175 0.000 0.961 18 R CA -1.000 55.138 56.100 0.063 0.000 0.881 18 R CB 1.269 31.582 30.300 0.022 0.000 1.159 18 R HN 0.260 nan 8.270 nan 0.000 0.450 19 F N 4.065 124.056 119.950 0.068 0.000 2.578 19 F HA 0.175 4.702 4.527 -0.001 0.000 0.381 19 F C -0.525 175.353 175.800 0.131 0.000 1.069 19 F CA 0.490 58.536 58.000 0.077 0.000 1.231 19 F CB 0.355 39.382 39.000 0.045 0.000 1.086 19 F HN 0.345 nan 8.300 nan 0.000 0.564 20 M N 8.425 127.752 119.600 -0.454 0.000 2.457 20 M HA 0.503 4.982 4.480 -0.001 0.000 0.300 20 M C -0.958 175.125 176.300 -0.362 0.000 1.141 20 M CA -0.777 54.291 55.300 -0.387 0.000 0.901 20 M CB 2.456 35.013 32.600 -0.071 0.000 1.687 20 M HN 0.569 nan 8.290 nan 0.000 0.449 21 I N -1.517 118.881 120.570 -0.287 0.000 2.785 21 I HA 0.672 4.841 4.170 -0.001 0.000 0.302 21 I C -0.899 175.108 176.117 -0.184 0.000 1.069 21 I CA -0.752 60.412 61.300 -0.228 0.000 1.045 21 I CB 2.153 39.863 38.000 -0.482 0.000 1.236 21 I HN 0.710 nan 8.210 nan 0.000 0.429 22 E N 3.280 123.172 120.200 -0.514 0.000 2.231 22 E HA 0.338 4.687 4.350 -0.001 0.000 0.277 22 E C -1.481 175.031 176.600 -0.147 0.000 0.999 22 E CA -0.709 55.218 56.400 -0.788 0.000 0.827 22 E CB 1.979 30.716 29.700 -1.605 0.000 1.101 22 E HN 0.823 nan 8.360 nan 0.000 0.393 23 C N 4.645 123.961 119.300 0.026 0.000 2.325 23 C HA 0.168 4.628 4.460 -0.001 0.000 0.347 23 C C 1.305 176.269 174.990 -0.044 0.000 1.263 23 C CA -0.341 58.733 59.018 0.093 0.000 1.806 23 C CB -0.106 27.693 27.740 0.098 0.000 2.405 23 C HN 1.018 nan 8.230 nan 0.000 0.537 24 D N 3.483 123.867 120.400 -0.026 0.000 2.117 24 D HA -0.145 4.494 4.640 -0.001 0.000 0.197 24 D C 1.910 178.170 176.300 -0.066 0.000 0.987 24 D CA 1.893 55.865 54.000 -0.047 0.000 0.829 24 D CB 0.171 40.968 40.800 -0.006 0.000 0.961 24 D HN 0.631 nan 8.370 nan 0.000 0.460 25 M N -0.005 119.538 119.600 -0.095 0.000 2.059 25 M HA -0.154 4.325 4.480 -0.001 0.000 0.259 25 M C 2.594 178.810 176.300 -0.141 0.000 1.072 25 M CA 1.034 56.216 55.300 -0.198 0.000 1.117 25 M CB -1.358 31.016 32.600 -0.377 0.000 1.320 25 M HN 0.275 nan 8.290 nan 0.000 0.408 26 C N -0.531 118.720 119.300 -0.082 0.000 2.453 26 C HA -0.089 4.370 4.460 -0.001 0.000 0.277 26 C C 1.672 176.655 174.990 -0.011 0.000 1.262 26 C CA 0.509 59.524 59.018 -0.006 0.000 1.718 26 C CB -0.748 27.072 27.740 0.133 0.000 2.031 26 C HN 0.655 nan 8.230 nan 0.000 0.480 27 Q N -0.676 119.101 119.800 -0.039 0.000 2.464 27 Q HA -0.174 4.165 4.340 -0.001 0.000 0.246 27 Q C -0.722 175.226 176.000 -0.088 0.000 0.763 27 Q CA 0.861 56.607 55.803 -0.095 0.000 1.233 27 Q CB -1.262 27.451 28.738 -0.042 0.000 1.361 27 Q HN 0.693 nan 8.270 nan 0.000 0.699 28 D N -1.108 119.277 120.400 -0.026 0.000 2.326 28 D HA 0.490 5.130 4.640 -0.001 0.000 0.251 28 D C -0.803 175.402 176.300 -0.159 0.000 1.023 28 D CA -0.207 53.791 54.000 -0.003 0.000 0.966 28 D CB 0.672 41.441 40.800 -0.051 0.000 1.156 28 D HN 0.037 nan 8.370 nan 0.000 0.494 29 W N 1.129 122.331 121.300 -0.163 0.000 2.551 29 W HA 0.533 5.193 4.660 -0.001 0.000 0.330 29 W C -0.662 175.539 176.519 -0.530 0.000 1.063 29 W CA -0.622 56.593 57.345 -0.217 0.000 1.222 29 W CB 0.870 30.124 29.460 -0.344 0.000 1.349 29 W HN 0.081 nan 8.180 nan 0.000 0.536 30 F N 0.591 120.555 119.950 0.024 0.000 2.540 30 F HA 0.314 4.841 4.527 -0.000 0.000 0.317 30 F C 0.138 175.839 175.800 -0.165 0.000 1.104 30 F CA -1.411 56.551 58.000 -0.063 0.000 0.913 30 F CB 1.131 40.141 39.000 0.017 0.000 1.170 30 F HN 0.228 nan 8.300 nan 0.000 0.450 31 H N 0.909 120.055 119.070 0.126 0.000 2.886 31 H HA 0.192 4.747 4.556 -0.002 0.000 0.329 31 H C 1.259 176.601 175.328 0.024 0.000 1.044 31 H CA 0.621 56.688 56.048 0.032 0.000 1.456 31 H CB 1.082 30.883 29.762 0.065 0.000 1.464 31 H HN 0.914 nan 8.280 nan 0.000 0.573 32 G N 1.506 110.363 108.800 0.095 0.000 2.440 32 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.218 32 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.218 32 G C 1.750 176.779 174.900 0.214 0.000 1.154 32 G CA 0.999 46.218 45.100 0.198 0.000 0.767 32 G HN 0.645 nan 8.290 nan 0.000 0.552 33 S N -0.523 115.303 115.700 0.210 0.000 2.423 33 S HA -0.109 4.361 4.470 -0.001 0.000 0.231 33 S C 2.180 176.857 174.600 0.130 0.000 1.014 33 S CA 1.168 59.451 58.200 0.139 0.000 0.965 33 S CB -0.660 62.594 63.200 0.091 0.000 0.785 33 S HN 0.345 nan 8.310 nan 0.000 0.495 34 C N 1.487 120.893 119.300 0.177 0.000 2.468 34 C HA 0.202 4.661 4.460 -0.001 0.000 0.277 34 C C 2.298 177.395 174.990 0.177 0.000 1.400 34 C CA 0.467 59.597 59.018 0.187 0.000 1.770 34 C CB -0.884 27.023 27.740 0.279 0.000 1.905 34 C HN 0.692 nan 8.230 nan 0.000 0.519 35 V N -1.974 118.041 119.914 0.169 0.000 3.427 35 V HA 0.545 4.665 4.120 -0.001 0.000 0.305 35 V C 1.152 177.315 176.094 0.116 0.000 1.412 35 V CA 0.683 63.067 62.300 0.140 0.000 1.086 35 V CB -0.778 31.133 31.823 0.146 0.000 0.964 35 V HN 0.488 nan 8.190 nan 0.000 0.439 36 G N 0.569 109.434 108.800 0.108 0.000 2.160 36 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.251 36 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.251 36 G C -0.018 174.940 174.900 0.096 0.000 1.008 36 G CA 0.215 45.370 45.100 0.093 0.000 0.724 36 G HN 0.976 nan 8.290 nan 0.000 0.514 37 V N 0.943 120.926 119.914 0.115 0.000 2.311 37 V HA 0.361 4.480 4.120 -0.001 0.000 0.275 37 V C 0.581 176.785 176.094 0.183 0.000 1.022 37 V CA -0.751 61.626 62.300 0.128 0.000 0.830 37 V CB 1.339 33.213 31.823 0.086 0.000 1.012 37 V HN 0.431 nan 8.190 nan 0.000 0.452 38 E N 3.095 123.348 120.200 0.087 0.000 2.366 38 E HA 0.157 4.506 4.350 -0.001 0.000 0.266 38 E C 0.677 177.198 176.600 -0.131 0.000 1.051 38 E CA -0.285 56.118 56.400 0.005 0.000 0.884 38 E CB 1.362 31.052 29.700 -0.017 0.000 1.006 38 E HN 0.665 nan 8.360 nan 0.000 0.417 39 E N 2.028 121.976 120.200 -0.421 0.000 2.070 39 E HA -0.279 4.070 4.350 -0.001 0.000 0.197 39 E C 1.405 177.793 176.600 -0.354 0.000 1.004 39 E CA 1.504 57.432 56.400 -0.786 0.000 0.805 39 E CB -0.014 29.223 29.700 -0.771 0.000 0.744 39 E HN 0.436 nan 8.360 nan 0.000 0.451 40 E N 0.271 120.348 120.200 -0.206 0.000 2.204 40 E HA -0.163 4.187 4.350 -0.001 0.000 0.195 40 E C 2.016 178.577 176.600 -0.065 0.000 0.990 40 E CA 1.860 58.193 56.400 -0.112 0.000 0.821 40 E CB -0.195 29.459 29.700 -0.076 0.000 0.750 40 E HN 0.316 nan 8.360 nan 0.000 0.477 41 K N 0.135 120.506 120.400 -0.049 0.000 2.354 41 K HA 0.464 4.783 4.320 -0.001 0.000 0.194 41 K C 1.971 178.582 176.600 0.018 0.000 1.038 41 K CA 0.601 56.884 56.287 -0.007 0.000 1.052 41 K CB -0.290 32.215 32.500 0.009 0.000 0.861 41 K HN 0.178 nan 8.250 nan 0.000 0.535 42 A N 1.432 124.267 122.820 0.024 0.000 1.940 42 A HA 0.126 4.445 4.320 -0.001 0.000 0.219 42 A C 2.746 180.369 177.584 0.065 0.000 1.176 42 A CA 2.076 54.172 52.037 0.099 0.000 0.631 42 A CB -0.831 18.324 19.000 0.258 0.000 0.814 42 A HN 0.915 nan 8.150 nan 0.000 0.446 43 A N 0.288 123.126 122.820 0.030 0.000 1.948 43 A HA -0.238 4.081 4.320 -0.001 0.000 0.220 43 A C 1.626 179.224 177.584 0.024 0.000 1.177 43 A CA 1.852 53.903 52.037 0.023 0.000 0.636 43 A CB -0.638 18.368 19.000 0.010 0.000 0.815 43 A HN 0.525 nan 8.150 nan 0.000 0.449 44 D N -0.315 120.098 120.400 0.022 0.000 2.384 44 D HA 0.002 4.641 4.640 -0.001 0.000 0.222 44 D C 0.444 176.756 176.300 0.021 0.000 0.976 44 D CA 0.601 54.613 54.000 0.019 0.000 0.915 44 D CB -0.153 40.658 40.800 0.017 0.000 0.896 44 D HN 0.488 nan 8.370 nan 0.000 0.523 45 I N 1.127 121.716 120.570 0.033 0.000 2.331 45 I HA 0.047 4.216 4.170 -0.001 0.000 0.292 45 I C 1.091 177.219 176.117 0.019 0.000 0.998 45 I CA -0.445 60.877 61.300 0.036 0.000 1.267 45 I CB 1.596 39.645 38.000 0.081 0.000 1.386 45 I HN -0.353 nan 8.210 nan 0.000 0.476 46 D N 4.018 124.414 120.400 -0.005 0.000 2.290 46 D HA 0.140 4.779 4.640 -0.001 0.000 0.224 46 D C -0.018 176.264 176.300 -0.029 0.000 0.967 46 D CA 1.210 55.200 54.000 -0.018 0.000 0.893 46 D CB 0.486 41.270 40.800 -0.028 0.000 1.037 46 D HN 0.172 nan 8.370 nan 0.000 0.477 47 L N 1.274 122.461 121.223 -0.061 0.000 2.342 47 L HA 0.254 4.594 4.340 -0.001 0.000 0.276 47 L C -1.326 175.475 176.870 -0.115 0.000 0.997 47 L CA -0.856 53.931 54.840 -0.089 0.000 0.838 47 L CB 1.282 43.255 42.059 -0.143 0.000 1.224 47 L HN -0.119 nan 8.230 nan 0.000 0.416 48 Y N 4.360 124.580 120.300 -0.133 0.000 2.304 48 Y HA 0.384 4.933 4.550 -0.001 0.000 0.328 48 Y C -0.634 175.257 175.900 -0.015 0.000 1.123 48 Y CA -0.103 57.932 58.100 -0.109 0.000 1.218 48 Y CB 0.465 38.867 38.460 -0.097 0.000 1.207 48 Y HN 0.619 nan 8.280 nan 0.000 0.495 49 H N 5.493 123.931 119.070 -1.054 0.000 2.539 49 H HA 0.365 4.920 4.556 -0.001 0.000 0.332 49 H C -0.290 174.240 175.328 -1.330 0.000 1.031 49 H CA -1.253 54.266 56.048 -0.881 0.000 1.206 49 H CB 0.807 30.306 29.762 -0.438 0.000 1.446 49 H HN 0.958 nan 8.280 nan 0.000 0.496 50 C N 2.873 121.600 119.300 -0.955 0.000 2.595 50 C HA 0.171 4.630 4.460 -0.001 0.000 0.384 50 C C -1.008 173.730 174.990 -0.420 0.000 1.289 50 C CA -1.584 56.947 59.018 -0.813 0.000 2.372 50 C CB 1.338 28.401 27.740 -1.129 0.000 2.593 50 C HN 0.639 nan 8.230 nan 0.000 0.639 51 P HA -0.188 nan 4.420 nan 0.000 0.219 51 P C 1.344 178.586 177.300 -0.097 0.000 1.158 51 P CA 2.013 65.042 63.100 -0.118 0.000 0.895 51 P CB -0.048 31.625 31.700 -0.045 0.000 0.792 52 N N -1.306 117.341 118.700 -0.088 0.000 2.092 52 N HA -0.106 4.633 4.740 -0.001 0.000 0.189 52 N C 1.820 177.292 175.510 -0.063 0.000 1.040 52 N CA 1.210 54.234 53.050 -0.044 0.000 0.845 52 N CB -1.274 37.218 38.487 0.008 0.000 1.017 52 N HN 0.166 nan 8.380 nan 0.000 0.426 53 C N 1.457 120.689 119.300 -0.114 0.000 2.410 53 C HA -0.090 4.369 4.460 -0.001 0.000 0.281 53 C C 2.655 177.549 174.990 -0.160 0.000 1.318 53 C CA 0.372 59.308 59.018 -0.136 0.000 1.776 53 C CB -1.056 26.499 27.740 -0.309 0.000 1.942 53 C HN 0.552 nan 8.230 nan 0.000 0.508 54 E N 1.101 121.200 120.200 -0.169 0.000 2.031 54 E HA -0.207 4.143 4.350 -0.001 0.000 0.193 54 E C 2.167 178.731 176.600 -0.061 0.000 0.994 54 E CA 2.207 58.548 56.400 -0.099 0.000 0.800 54 E CB -0.036 29.616 29.700 -0.080 0.000 0.752 54 E HN 0.539 nan 8.360 nan 0.000 0.447 55 V N -0.942 118.935 119.914 -0.061 0.000 2.407 55 V HA -0.158 3.962 4.120 -0.001 0.000 0.248 55 V C 2.544 178.578 176.094 -0.099 0.000 1.055 55 V CA 1.966 64.229 62.300 -0.061 0.000 1.049 55 V CB -1.106 30.688 31.823 -0.048 0.000 0.662 55 V HN 0.360 nan 8.190 nan 0.000 0.455 56 L N -0.294 120.858 121.223 -0.118 0.000 2.270 56 L HA 0.285 4.624 4.340 -0.001 0.000 0.210 56 L C 2.046 178.540 176.870 -0.626 0.000 1.104 56 L CA 2.128 56.785 54.840 -0.305 0.000 0.804 56 L CB -1.582 40.349 42.059 -0.214 0.000 0.937 56 L HN 0.738 nan 8.230 nan 0.000 0.450 57 H N -1.275 117.714 119.070 -0.136 0.000 2.907 57 H HA 0.531 5.086 4.556 -0.001 0.000 0.233 57 H C 0.673 175.949 175.328 -0.088 0.000 1.285 57 H CA -0.476 55.493 56.048 -0.132 0.000 0.981 57 H CB 0.086 29.729 29.762 -0.198 0.000 2.255 57 H HN 0.765 nan 8.280 nan 0.000 0.601 58 G N 0.977 109.793 108.800 0.028 0.000 2.758 58 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.686 58 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.686 58 G C -2.735 172.280 174.900 0.191 0.000 1.389 58 G CA -1.223 43.927 45.100 0.083 0.000 0.845 58 G HN 0.147 nan 8.290 nan 0.000 0.572 59 P HA 0.362 nan 4.420 nan 0.000 0.275 59 P C 0.559 177.854 177.300 -0.008 0.000 1.270 59 P CA -0.151 62.995 63.100 0.078 0.000 0.791 59 P CB 0.389 32.092 31.700 0.004 0.000 1.089 60 S N -0.511 115.094 115.700 -0.158 0.000 2.589 60 S HA 0.213 4.683 4.470 -0.001 0.000 0.265 60 S C 0.412 174.835 174.600 -0.294 0.000 1.342 60 S CA -0.167 57.810 58.200 -0.371 0.000 1.005 60 S CB -0.307 62.789 63.200 -0.174 0.000 0.909 60 S HN 0.193 nan 8.310 nan 0.000 0.555 61 I N 2.384 122.765 120.570 -0.316 0.000 2.307 61 I HA 0.250 4.419 4.170 -0.001 0.000 0.289 61 I C 0.235 176.294 176.117 -0.097 0.000 1.021 61 I CA -0.028 61.161 61.300 -0.184 0.000 1.224 61 I CB 0.821 38.710 38.000 -0.185 0.000 1.376 61 I HN 0.498 nan 8.210 nan 0.000 0.470 62 M N 7.340 126.903 119.600 -0.061 0.000 2.247 62 M HA 0.287 4.766 4.480 -0.001 0.000 0.326 62 M C 0.174 176.460 176.300 -0.024 0.000 1.134 62 M CA -0.274 55.009 55.300 -0.029 0.000 1.136 62 M CB 1.045 33.634 32.600 -0.018 0.000 1.454 62 M HN 0.562 nan 8.290 nan 0.000 0.467 63 K N 1.748 122.141 120.400 -0.011 0.000 2.209 63 K HA 0.801 5.120 4.320 -0.001 0.000 0.238 63 K C -0.377 176.221 176.600 -0.003 0.000 1.028 63 K CA -0.219 56.064 56.287 -0.007 0.000 0.935 63 K CB 0.624 33.124 32.500 0.001 0.000 1.162 63 K HN 0.873 nan 8.250 nan 0.000 0.485 79 P HA 0.150 nan 4.420 nan 0.000 0.271 79 P C -0.623 176.711 177.300 0.056 0.000 1.216 79 P CA -0.502 62.626 63.100 0.048 0.000 0.771 79 P CB 0.710 32.440 31.700 0.049 0.000 0.864 80 V N 3.584 123.547 119.914 0.082 0.000 2.649 80 V HA 0.179 4.298 4.120 -0.001 0.000 0.292 80 V C 0.781 176.945 176.094 0.116 0.000 1.055 80 V CA -0.398 61.965 62.300 0.106 0.000 1.023 80 V CB 1.158 33.069 31.823 0.146 0.000 0.992 80 V HN 0.564 nan 8.190 nan 0.000 0.480 81 K N 2.691 123.140 120.400 0.082 0.000 2.234 81 K HA 0.287 4.606 4.320 -0.001 0.000 0.277 81 K C -0.126 176.428 176.600 -0.077 0.000 1.038 81 K CA -0.255 56.043 56.287 0.018 0.000 0.888 81 K CB 1.187 33.687 32.500 -0.001 0.000 1.091 81 K HN 0.819 nan 8.250 nan 0.000 0.467 82 T N 2.195 116.608 114.554 -0.235 0.000 2.866 82 T HA 0.118 4.467 4.350 -0.001 0.000 0.293 82 T C 1.144 175.539 174.700 -0.508 0.000 1.005 82 T CA 1.500 63.132 62.100 -0.779 0.000 1.162 82 T CB 0.182 68.791 68.868 -0.431 0.000 0.968 82 T HN 0.818 nan 8.240 nan 0.000 0.530 83 G N 2.919 111.336 108.800 -0.638 0.000 2.234 83 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.235 83 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.235 83 G C 0.460 175.391 174.900 0.051 0.000 0.997 83 G CA 0.098 45.156 45.100 -0.070 0.000 0.623 83 G HN 1.233 nan 8.290 nan 0.000 0.514 84 S N 1.295 117.024 115.700 0.048 0.000 2.584 84 S HA 0.521 4.990 4.470 -0.001 0.000 0.270 84 S C -0.295 174.379 174.600 0.124 0.000 1.346 84 S CA -0.174 58.076 58.200 0.084 0.000 1.018 84 S CB 1.964 65.209 63.200 0.076 0.000 0.899 84 S HN 0.208 nan 8.310 nan 0.000 0.542 85 P HA -0.098 nan 4.420 nan 0.000 0.218 85 P C 1.228 178.559 177.300 0.051 0.000 1.148 85 P CA 1.339 64.479 63.100 0.066 0.000 0.822 85 P CB -0.428 31.299 31.700 0.046 0.000 0.784 86 T N -0.545 114.043 114.554 0.057 0.000 2.857 86 T HA -0.100 4.250 4.350 -0.001 0.000 0.266 86 T C 1.452 176.162 174.700 0.018 0.000 1.048 86 T CA 0.818 62.936 62.100 0.030 0.000 1.139 86 T CB -0.897 67.992 68.868 0.036 0.000 0.874 86 T HN 0.030 nan 8.240 nan 0.000 0.455 87 F N 1.981 121.886 119.950 -0.076 0.000 2.102 87 F HA -0.126 4.400 4.527 -0.001 0.000 0.298 87 F C 2.181 177.871 175.800 -0.185 0.000 1.105 87 F CA 0.914 58.836 58.000 -0.130 0.000 1.239 87 F CB -0.555 38.368 39.000 -0.128 0.000 0.991 87 F HN -0.104 nan 8.300 nan 0.000 0.474 88 V N 1.101 120.987 119.914 -0.046 0.000 2.343 88 V HA -0.295 3.824 4.120 -0.001 0.000 0.247 88 V C 2.567 178.552 176.094 -0.182 0.000 1.051 88 V CA 2.201 64.420 62.300 -0.135 0.000 1.036 88 V CB -0.733 31.111 31.823 0.035 0.000 0.654 88 V HN 0.292 nan 8.190 nan 0.000 0.451 89 R N -0.160 120.270 120.500 -0.118 0.000 2.083 89 R HA -0.187 4.152 4.340 -0.001 0.000 0.237 89 R C 2.337 178.540 176.300 -0.161 0.000 1.137 89 R CA 1.881 57.920 56.100 -0.102 0.000 0.951 89 R CB -0.329 29.933 30.300 -0.063 0.000 0.851 89 R HN 0.643 nan 8.270 nan 0.000 0.434 90 E N 0.480 120.539 120.200 -0.235 0.000 2.110 90 E HA -0.201 4.148 4.350 -0.001 0.000 0.193 90 E C 1.986 178.360 176.600 -0.376 0.000 0.988 90 E CA 0.836 57.066 56.400 -0.283 0.000 0.804 90 E CB -0.123 29.391 29.700 -0.310 0.000 0.745 90 E HN 0.119 nan 8.360 nan 0.000 0.458 91 L N 1.432 122.326 121.223 -0.548 0.000 2.046 91 L HA -0.140 4.199 4.340 -0.001 0.000 0.208 91 L C 2.118 178.882 176.870 -0.178 0.000 1.077 91 L CA 1.647 56.162 54.840 -0.542 0.000 0.747 91 L CB -0.171 41.432 42.059 -0.759 0.000 0.896 91 L HN -0.113 nan 8.230 nan 0.000 0.432 92 R N -0.633 119.789 120.500 -0.130 0.000 2.152 92 R HA -0.093 4.246 4.340 -0.001 0.000 0.232 92 R C 2.089 178.394 176.300 0.009 0.000 1.117 92 R CA 1.376 57.465 56.100 -0.018 0.000 0.981 92 R CB -0.396 29.889 30.300 -0.024 0.000 0.870 92 R HN 0.653 nan 8.270 nan 0.000 0.451 93 S N -0.281 115.394 115.700 -0.042 0.000 2.556 93 S HA 0.137 4.607 4.470 -0.001 0.000 0.216 93 S C 0.602 175.183 174.600 -0.031 0.000 0.970 93 S CA -0.485 57.697 58.200 -0.029 0.000 0.912 93 S CB 0.278 63.443 63.200 -0.059 0.000 0.790 93 S HN 0.068 nan 8.310 nan 0.000 0.504 94 R N 2.444 122.929 120.500 -0.025 0.000 2.594 94 R HA 0.308 4.647 4.340 -0.001 0.000 0.272 94 R C -0.034 176.271 176.300 0.008 0.000 1.074 94 R CA 0.370 56.403 56.100 -0.111 0.000 1.105 94 R CB 0.524 30.653 30.300 -0.286 0.000 1.008 94 R HN 0.456 nan 8.270 nan 0.000 0.472 95 T N 0.063 114.523 114.554 -0.158 0.000 2.767 95 T HA 0.487 4.836 4.350 -0.001 0.000 0.288 95 T C -0.309 174.280 174.700 -0.186 0.000 0.963 95 T CA -0.561 61.516 62.100 -0.038 0.000 1.019 95 T CB 0.383 69.221 68.868 -0.050 0.000 0.923 95 T HN 0.225 nan 8.240 nan 0.000 0.468 96 F N 0.196 120.198 119.950 0.087 0.000 2.631 96 F HA 0.466 4.993 4.527 -0.001 0.000 0.350 96 F C 0.719 176.579 175.800 0.099 0.000 1.080 96 F CA -1.324 56.748 58.000 0.120 0.000 1.026 96 F CB 1.165 40.305 39.000 0.233 0.000 1.347 96 F HN 0.529 nan 8.300 nan 0.000 0.501 97 D N 0.077 120.653 120.400 0.294 0.000 2.304 97 D HA 0.056 4.696 4.640 -0.001 0.000 0.247 97 D C -0.453 176.059 176.300 0.353 0.000 1.089 97 D CA 0.048 54.181 54.000 0.222 0.000 0.910 97 D CB 1.659 42.485 40.800 0.042 0.000 1.199 97 D HN 0.274 nan 8.370 nan 0.000 0.426 98 S N 0.485 116.362 115.700 0.296 0.000 2.465 98 S HA 0.002 4.471 4.470 -0.001 0.000 0.280 98 S C 1.471 176.237 174.600 0.277 0.000 1.232 98 S CA -0.576 57.771 58.200 0.246 0.000 1.066 98 S CB 0.360 63.654 63.200 0.157 0.000 0.929 98 S HN 0.454 nan 8.310 nan 0.000 0.494 99 S N 3.298 119.131 115.700 0.221 0.000 2.469 99 S HA -0.123 4.346 4.470 -0.001 0.000 0.238 99 S C 0.923 175.494 174.600 -0.049 0.000 0.998 99 S CA 1.267 59.507 58.200 0.066 0.000 0.957 99 S CB -0.479 62.756 63.200 0.059 0.000 0.764 99 S HN 0.824 nan 8.310 nan 0.000 0.514 100 D N 2.510 122.918 120.400 0.013 0.000 2.218 100 D HA -0.135 4.504 4.640 -0.001 0.000 0.204 100 D C 2.089 178.377 176.300 -0.021 0.000 0.976 100 D CA 1.401 55.398 54.000 -0.005 0.000 0.853 100 D CB -0.191 40.623 40.800 0.022 0.000 0.939 100 D HN 0.872 nan 8.370 nan 0.000 0.481 101 E N 0.523 120.716 120.200 -0.011 0.000 2.482 101 E HA -0.080 4.270 4.350 -0.001 0.000 0.196 101 E C 1.479 178.032 176.600 -0.079 0.000 1.047 101 E CA 0.821 57.215 56.400 -0.010 0.000 0.869 101 E CB 0.238 29.975 29.700 0.061 0.000 0.836 101 E HN 0.424 nan 8.360 nan 0.000 0.520 102 V N -0.902 118.897 119.914 -0.192 0.000 3.229 102 V HA 0.236 4.356 4.120 -0.001 0.000 0.239 102 V C 1.201 177.185 176.094 -0.184 0.000 1.390 102 V CA -0.262 61.901 62.300 -0.228 0.000 1.231 102 V CB -0.458 31.090 31.823 -0.460 0.000 1.025 102 V HN 0.280 nan 8.190 nan 0.000 0.461 103 I N 1.574 122.026 120.570 -0.197 0.000 2.634 103 I HA 0.412 4.581 4.170 -0.001 0.000 0.284 103 I C -0.248 175.830 176.117 -0.065 0.000 1.124 103 I CA -0.194 61.016 61.300 -0.150 0.000 1.417 103 I CB 0.553 38.465 38.000 -0.147 0.000 1.396 103 I HN 0.099 nan 8.210 nan 0.000 0.571 104 L N 6.354 127.564 121.223 -0.021 0.000 2.357 104 L HA 0.419 4.759 4.340 -0.001 0.000 0.273 104 L C 0.448 177.337 176.870 0.033 0.000 1.080 104 L CA -0.682 54.190 54.840 0.053 0.000 0.803 104 L CB 0.906 43.069 42.059 0.172 0.000 1.174 104 L HN 0.635 nan 8.230 nan 0.000 0.443 105 K N 2.734 123.143 120.400 0.015 0.000 3.205 105 K HA 0.303 4.623 4.320 -0.001 0.000 0.202 105 K C -2.355 174.194 176.600 -0.086 0.000 1.160 105 K CA -1.335 54.936 56.287 -0.026 0.000 0.995 105 K CB 0.483 32.972 32.500 -0.019 0.000 1.041 105 K HN 0.400 nan 8.250 nan 0.000 0.507 106 P HA -0.003 nan 4.420 nan 0.000 0.271 106 P C 0.234 177.390 177.300 -0.239 0.000 1.233 106 P CA -0.006 62.884 63.100 -0.349 0.000 0.789 106 P CB 0.784 31.997 31.700 -0.812 0.000 0.951 107 T N -0.656 113.759 114.554 -0.231 0.000 2.847 107 T HA 0.357 4.706 4.350 -0.001 0.000 0.279 107 T C 1.861 176.450 174.700 -0.185 0.000 0.984 107 T CA 0.311 62.319 62.100 -0.155 0.000 0.988 107 T CB 0.264 69.057 68.868 -0.125 0.000 1.040 107 T HN 0.479 nan 8.240 nan 0.000 0.528 108 G N 1.985 110.710 108.800 -0.125 0.000 2.469 108 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.220 108 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.220 108 G C 1.444 176.244 174.900 -0.167 0.000 1.136 108 G CA 0.495 45.517 45.100 -0.130 0.000 0.759 108 G HN 0.706 nan 8.290 nan 0.000 0.562 109 N N 0.175 118.786 118.700 -0.148 0.000 2.409 109 N HA -0.025 4.715 4.740 -0.001 0.000 0.179 109 N C 2.257 177.658 175.510 -0.182 0.000 1.032 109 N CA 0.553 53.516 53.050 -0.144 0.000 0.898 109 N CB -0.006 38.417 38.487 -0.107 0.000 0.971 109 N HN 0.506 nan 8.380 nan 0.000 0.441 110 Q N 0.009 119.662 119.800 -0.245 0.000 2.398 110 Q HA 0.057 4.396 4.340 -0.001 0.000 0.204 110 Q C 0.162 175.862 176.000 -0.499 0.000 0.932 110 Q CA 0.016 55.621 55.803 -0.329 0.000 0.916 110 Q CB 0.247 28.761 28.738 -0.374 0.000 1.024 110 Q HN 0.077 nan 8.270 nan 0.000 0.504 111 L N 2.753 123.683 121.223 -0.489 0.000 2.448 111 L HA 0.100 4.440 4.340 -0.001 0.000 0.278 111 L C -0.108 176.574 176.870 -0.314 0.000 1.201 111 L CA 0.516 55.044 54.840 -0.519 0.000 1.036 111 L CB -0.485 41.267 42.059 -0.511 0.000 1.325 111 L HN 0.030 nan 8.230 nan 0.000 0.441 112 T N -0.502 113.940 114.554 -0.187 0.000 2.940 112 T HA 0.433 4.783 4.350 -0.001 0.000 0.288 112 T C 1.275 175.939 174.700 -0.061 0.000 1.045 112 T CA -0.451 61.582 62.100 -0.110 0.000 1.018 112 T CB 1.223 70.053 68.868 -0.063 0.000 1.151 112 T HN -0.002 nan 8.240 nan 0.000 0.529 113 V N 1.194 121.067 119.914 -0.069 0.000 2.332 113 V HA -0.134 3.986 4.120 -0.001 0.000 0.248 113 V C 2.671 178.751 176.094 -0.023 0.000 1.055 113 V CA 2.111 64.376 62.300 -0.058 0.000 1.038 113 V CB -1.149 30.658 31.823 -0.026 0.000 0.651 113 V HN 0.878 nan 8.190 nan 0.000 0.450 114 E N -0.099 120.105 120.200 0.007 0.000 2.118 114 E HA -0.220 4.129 4.350 -0.001 0.000 0.195 114 E C 1.823 178.441 176.600 0.030 0.000 0.992 114 E CA 1.442 57.856 56.400 0.023 0.000 0.804 114 E CB -0.569 29.148 29.700 0.028 0.000 0.741 114 E HN 0.660 nan 8.360 nan 0.000 0.458 115 F N 0.761 120.647 119.950 -0.106 0.000 2.134 115 F HA -0.106 4.421 4.527 -0.001 0.000 0.299 115 F C 1.737 177.456 175.800 -0.136 0.000 1.097 115 F CA 1.232 59.161 58.000 -0.118 0.000 1.264 115 F CB -0.108 38.802 39.000 -0.151 0.000 1.001 115 F HN -0.049 nan 8.300 nan 0.000 0.479 116 L N 0.138 121.287 121.223 -0.123 0.000 2.083 116 L HA -0.202 4.137 4.340 -0.001 0.000 0.209 116 L C 2.337 179.062 176.870 -0.243 0.000 1.083 116 L CA 1.652 56.336 54.840 -0.260 0.000 0.752 116 L CB -0.809 41.088 42.059 -0.270 0.000 0.899 116 L HN 0.205 nan 8.230 nan 0.000 0.433 117 E N -0.253 119.837 120.200 -0.182 0.000 2.204 117 E HA -0.200 4.149 4.350 -0.001 0.000 0.195 117 E C 2.011 178.557 176.600 -0.090 0.000 0.990 117 E CA 0.661 56.971 56.400 -0.149 0.000 0.821 117 E CB 0.021 29.738 29.700 0.027 0.000 0.750 117 E HN 0.427 nan 8.360 nan 0.000 0.477 118 E N 0.814 120.929 120.200 -0.143 0.000 2.130 118 E HA -0.216 4.133 4.350 -0.001 0.000 0.196 118 E C 1.255 177.788 176.600 -0.112 0.000 0.998 118 E CA 1.576 57.898 56.400 -0.130 0.000 0.806 118 E CB -0.384 29.185 29.700 -0.219 0.000 0.738 118 E HN 0.590 nan 8.360 nan 0.000 0.459 119 N N -1.831 116.776 118.700 -0.155 0.000 2.241 119 N HA 0.093 4.832 4.740 -0.001 0.000 0.238 119 N C -0.520 174.962 175.510 -0.047 0.000 1.244 119 N CA 0.127 53.123 53.050 -0.089 0.000 0.880 119 N CB 0.963 39.382 38.487 -0.113 0.000 1.179 119 N HN -0.260 nan 8.380 nan 0.000 0.513 120 S N 0.696 116.348 115.700 -0.080 0.000 3.698 120 S HA -0.252 4.217 4.470 -0.001 0.000 0.338 120 S C -0.078 174.542 174.600 0.033 0.000 1.089 120 S CA 0.600 58.745 58.200 -0.092 0.000 0.991 120 S CB -2.376 60.822 63.200 -0.003 0.000 0.909 120 S HN 0.723 nan 8.310 nan 0.000 0.485 121 F N 0.095 119.930 119.950 -0.191 0.000 2.783 121 F HA -0.329 4.197 4.527 -0.001 0.000 0.222 121 F C 0.931 176.692 175.800 -0.065 0.000 1.028 121 F CA 0.562 58.470 58.000 -0.155 0.000 0.862 121 F CB -0.905 37.985 39.000 -0.182 0.000 0.744 121 F HN 0.597 nan 8.300 nan 0.000 0.850 122 S N -0.000 115.752 115.700 0.088 0.000 2.556 122 S HA 0.382 4.851 4.470 -0.001 0.000 0.216 122 S C 0.314 174.977 174.600 0.105 0.000 0.970 122 S CA 0.328 58.573 58.200 0.075 0.000 0.912 122 S CB 0.616 63.875 63.200 0.099 0.000 0.790 122 S HN 0.787 nan 8.310 nan 0.000 0.504 123 V N -3.186 116.697 119.914 -0.051 0.000 3.007 123 V HA 0.697 4.816 4.120 -0.001 0.000 0.311 123 V C -3.423 172.440 176.094 -0.386 0.000 1.120 123 V CA -3.094 59.017 62.300 -0.315 0.000 0.980 123 V CB 1.232 32.972 31.823 -0.138 0.000 1.033 123 V HN -0.167 nan 8.190 nan 0.000 0.429 124 P HA 0.330 nan 4.420 nan 0.000 0.266 124 P C -0.753 176.478 177.300 -0.115 0.000 1.193 124 P CA 0.472 63.327 63.100 -0.407 0.000 0.770 124 P CB 0.283 31.657 31.700 -0.545 0.000 0.836 125 I N 2.471 123.070 120.570 0.048 0.000 2.466 125 I HA 0.347 4.516 4.170 -0.001 0.000 0.289 125 I C -0.690 175.509 176.117 0.137 0.000 1.026 125 I CA -0.874 60.479 61.300 0.089 0.000 1.078 125 I CB 1.822 39.867 38.000 0.074 0.000 1.249 125 I HN 0.132 nan 8.210 nan 0.000 0.429 126 L N 8.259 129.520 121.223 0.063 0.000 2.325 126 L HA 0.592 4.932 4.340 -0.001 0.000 0.281 126 L C -1.045 175.868 176.870 0.072 0.000 1.004 126 L CA -0.398 54.477 54.840 0.058 0.000 0.823 126 L CB 1.663 43.712 42.059 -0.016 0.000 1.236 126 L HN 0.297 nan 8.230 nan 0.000 0.415 127 V N 6.897 126.891 119.914 0.133 0.000 2.347 127 V HA 0.234 4.353 4.120 -0.001 0.000 0.280 127 V C 1.261 177.403 176.094 0.080 0.000 1.021 127 V CA -0.476 61.882 62.300 0.096 0.000 0.847 127 V CB 1.293 33.212 31.823 0.160 0.000 0.990 127 V HN 0.833 nan 8.190 nan 0.000 0.444 128 L N 2.942 124.188 121.223 0.039 0.000 2.083 128 L HA -0.012 4.327 4.340 -0.001 0.000 0.209 128 L C 0.838 177.740 176.870 0.052 0.000 1.083 128 L CA 1.497 56.358 54.840 0.036 0.000 0.752 128 L CB -0.211 41.858 42.059 0.016 0.000 0.899 128 L HN 0.559 nan 8.230 nan 0.000 0.433 129 K N -0.362 120.068 120.400 0.050 0.000 2.427 129 K HA 0.188 4.508 4.320 -0.001 0.000 0.252 129 K C 0.393 177.032 176.600 0.064 0.000 0.931 129 K CA -0.531 55.791 56.287 0.058 0.000 0.793 129 K CB 1.922 34.439 32.500 0.028 0.000 1.211 129 K HN -0.092 nan 8.250 nan 0.000 0.426 130 K N -0.193 120.258 120.400 0.086 0.000 2.360 130 K HA -0.067 4.252 4.320 -0.001 0.000 0.201 130 K C -0.557 176.037 176.600 -0.011 0.000 1.046 130 K CA 0.871 57.185 56.287 0.044 0.000 0.945 130 K CB -0.238 32.263 32.500 0.002 0.000 0.750 130 K HN 0.434 nan 8.250 nan 0.000 0.464 131 D N 1.528 121.921 120.400 -0.011 0.000 2.586 131 D HA 0.081 4.721 4.640 -0.001 0.000 0.234 131 D C 1.186 177.455 176.300 -0.051 0.000 1.132 131 D CA 1.709 55.690 54.000 -0.033 0.000 0.860 131 D CB 0.525 41.309 40.800 -0.027 0.000 1.159 131 D HN 0.437 nan 8.370 nan 0.000 0.490 132 G N 1.674 110.434 108.800 -0.066 0.000 2.225 132 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.254 132 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.254 132 G C 0.984 175.823 174.900 -0.101 0.000 0.988 132 G CA 0.138 45.187 45.100 -0.085 0.000 0.625 132 G HN 0.506 nan 8.290 nan 0.000 0.527 133 L N 1.041 122.211 121.223 -0.089 0.000 2.552 133 L HA 0.333 4.672 4.340 -0.001 0.000 0.227 133 L C 2.183 178.973 176.870 -0.134 0.000 1.146 133 L CA 0.725 55.507 54.840 -0.096 0.000 0.858 133 L CB -0.364 41.676 42.059 -0.031 0.000 0.969 133 L HN 0.977 nan 8.230 nan 0.000 0.451 134 G N 1.307 110.029 108.800 -0.130 0.000 2.305 134 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.287 134 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.287 134 G C 0.089 174.881 174.900 -0.180 0.000 1.036 134 G CA 0.479 45.494 45.100 -0.142 0.000 0.887 134 G HN 0.362 nan 8.290 nan 0.000 0.505 135 M N 1.045 120.530 119.600 -0.193 0.000 2.238 135 M HA 0.549 5.028 4.480 -0.001 0.000 0.350 135 M C -0.120 176.042 176.300 -0.230 0.000 1.138 135 M CA -0.240 54.907 55.300 -0.255 0.000 1.040 135 M CB 1.175 33.598 32.600 -0.296 0.000 1.639 135 M HN 0.041 nan 8.290 nan 0.000 0.451 136 T N 6.496 120.908 114.554 -0.236 0.000 2.758 136 T HA 0.676 5.026 4.350 -0.001 0.000 0.285 136 T C -0.683 173.855 174.700 -0.270 0.000 0.981 136 T CA -0.481 61.492 62.100 -0.213 0.000 0.965 136 T CB 0.484 69.250 68.868 -0.171 0.000 0.927 136 T HN 0.588 nan 8.240 nan 0.000 0.448 137 L N 4.051 125.100 121.223 -0.290 0.000 2.469 137 L HA 0.587 4.926 4.340 -0.001 0.000 0.256 137 L C -2.070 174.586 176.870 -0.356 0.000 1.006 137 L CA -2.310 52.289 54.840 -0.402 0.000 0.832 137 L CB 2.424 44.236 42.059 -0.411 0.000 1.421 137 L HN 0.416 nan 8.230 nan 0.000 0.410 138 P HA 0.150 nan 4.420 nan 0.000 0.275 138 P C -0.558 176.648 177.300 -0.158 0.000 1.266 138 P CA -0.371 62.503 63.100 -0.376 0.000 0.793 138 P CB 0.848 32.067 31.700 -0.802 0.000 1.074 139 S N -0.478 115.214 115.700 -0.014 0.000 2.600 139 S HA 0.159 4.628 4.470 -0.001 0.000 0.265 139 S C -1.758 172.920 174.600 0.130 0.000 1.325 139 S CA -0.811 57.423 58.200 0.058 0.000 1.002 139 S CB -0.330 62.916 63.200 0.077 0.000 0.921 139 S HN 0.245 nan 8.310 nan 0.000 0.554 140 P HA -0.003 nan 4.420 nan 0.000 0.234 140 P C 0.871 178.272 177.300 0.168 0.000 1.162 140 P CA 0.888 64.081 63.100 0.155 0.000 0.759 140 P CB -0.190 31.582 31.700 0.119 0.000 0.813 141 S N -2.869 112.934 115.700 0.172 0.000 2.577 141 S HA 0.115 4.585 4.470 -0.001 0.000 0.219 141 S C 0.342 175.060 174.600 0.197 0.000 0.962 141 S CA -0.562 57.731 58.200 0.155 0.000 0.921 141 S CB -0.923 62.346 63.200 0.116 0.000 0.789 141 S HN -0.074 nan 8.310 nan 0.000 0.497 142 F N 4.385 124.386 119.950 0.085 0.000 2.484 142 F HA 0.422 4.948 4.527 -0.002 0.000 0.360 142 F C 0.909 176.772 175.800 0.104 0.000 1.101 142 F CA 0.173 58.227 58.000 0.091 0.000 1.251 142 F CB 0.830 39.890 39.000 0.100 0.000 1.132 142 F HN 0.254 nan 8.300 nan 0.000 0.570 143 T N 1.843 116.275 114.554 -0.203 0.000 2.940 143 T HA 0.390 4.739 4.350 -0.001 0.000 0.288 143 T C 0.988 175.615 174.700 -0.121 0.000 1.045 143 T CA -0.224 61.849 62.100 -0.045 0.000 1.018 143 T CB 1.178 70.064 68.868 0.029 0.000 1.151 143 T HN 0.621 nan 8.240 nan 0.000 0.529 144 V N -0.525 119.364 119.914 -0.043 0.000 2.626 144 V HA -0.022 4.097 4.120 -0.001 0.000 0.252 144 V C 2.493 178.541 176.094 -0.076 0.000 1.067 144 V CA 1.380 63.594 62.300 -0.144 0.000 1.081 144 V CB -1.137 30.407 31.823 -0.464 0.000 0.686 144 V HN 0.869 nan 8.190 nan 0.000 0.468 145 R N 0.288 120.818 120.500 0.050 0.000 2.120 145 R HA -0.117 4.223 4.340 -0.001 0.000 0.234 145 R C 2.066 178.062 176.300 -0.507 0.000 1.123 145 R CA 1.892 57.936 56.100 -0.093 0.000 0.975 145 R CB -0.322 29.919 30.300 -0.099 0.000 0.866 145 R HN 0.637 nan 8.270 nan 0.000 0.446 146 D N -0.577 119.515 120.400 -0.514 0.000 2.224 146 D HA -0.095 4.544 4.640 -0.001 0.000 0.205 146 D C 1.748 177.910 176.300 -0.230 0.000 0.965 146 D CA 0.880 54.515 54.000 -0.608 0.000 0.852 146 D CB 0.198 40.238 40.800 -1.267 0.000 0.947 146 D HN 0.088 nan 8.370 nan 0.000 0.494 147 V N 1.283 121.112 119.914 -0.142 0.000 2.358 147 V HA -0.201 3.918 4.120 -0.001 0.000 0.246 147 V C 2.489 178.655 176.094 0.120 0.000 1.047 147 V CA 1.508 63.885 62.300 0.128 0.000 1.035 147 V CB -0.392 31.475 31.823 0.074 0.000 0.658 147 V HN 0.177 nan 8.190 nan 0.000 0.452 148 E N -0.124 120.099 120.200 0.038 0.000 2.038 148 E HA -0.276 4.074 4.350 -0.001 0.000 0.195 148 E C 2.152 178.858 176.600 0.176 0.000 1.000 148 E CA 1.940 58.397 56.400 0.095 0.000 0.803 148 E CB -0.255 29.494 29.700 0.082 0.000 0.750 148 E HN 0.779 nan 8.360 nan 0.000 0.448 149 H N -1.948 117.143 119.070 0.035 0.000 2.387 149 H HA -0.166 4.389 4.556 -0.001 0.000 0.299 149 H C 1.729 177.006 175.328 -0.085 0.000 1.099 149 H CA 1.343 57.363 56.048 -0.047 0.000 1.315 149 H CB 0.027 29.724 29.762 -0.108 0.000 1.380 149 H HN 0.288 nan 8.280 nan 0.000 0.513 150 Y N -0.593 119.816 120.300 0.183 0.000 2.397 150 Y HA -0.083 4.466 4.550 -0.002 0.000 0.292 150 Y C 2.320 178.289 175.900 0.116 0.000 1.115 150 Y CA 0.407 58.597 58.100 0.150 0.000 1.208 150 Y CB 0.418 38.989 38.460 0.185 0.000 1.046 150 Y HN -0.028 nan 8.280 nan 0.000 0.552 151 V N -1.643 118.416 119.914 0.242 0.000 2.492 151 V HA 0.354 4.473 4.120 -0.001 0.000 0.241 151 V C 0.699 176.868 176.094 0.125 0.000 1.041 151 V CA 1.092 63.496 62.300 0.173 0.000 1.057 151 V CB -0.359 31.548 31.823 0.139 0.000 0.711 151 V HN 0.367 nan 8.190 nan 0.000 0.468 152 G N -0.385 108.482 108.800 0.112 0.000 2.873 152 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.507 152 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.507 152 G C 0.148 175.099 174.900 0.085 0.000 1.440 152 G CA -0.051 45.100 45.100 0.085 0.000 1.016 152 G HN 0.018 nan 8.290 nan 0.000 0.615 153 S N 0.817 116.567 115.700 0.084 0.000 2.399 153 S HA -0.050 4.420 4.470 -0.001 0.000 0.231 153 S C 1.520 176.163 174.600 0.070 0.000 1.022 153 S CA 1.528 59.780 58.200 0.087 0.000 0.983 153 S CB 0.035 63.285 63.200 0.084 0.000 0.803 153 S HN 0.680 nan 8.310 nan 0.000 0.480 154 D N 0.902 121.335 120.400 0.055 0.000 2.340 154 D HA 0.077 4.716 4.640 -0.001 0.000 0.220 154 D C 0.543 176.866 176.300 0.039 0.000 1.039 154 D CA 0.235 54.261 54.000 0.043 0.000 0.866 154 D CB 0.078 40.898 40.800 0.032 0.000 0.913 154 D HN 0.382 nan 8.370 nan 0.000 0.523 155 K N 1.787 122.214 120.400 0.045 0.000 2.350 155 K HA 0.039 4.358 4.320 -0.001 0.000 0.279 155 K C 0.110 176.727 176.600 0.028 0.000 1.027 155 K CA -0.243 56.065 56.287 0.035 0.000 0.969 155 K CB 1.045 33.570 32.500 0.043 0.000 0.954 155 K HN -0.145 nan 8.250 nan 0.000 0.474 156 E N 4.670 124.878 120.200 0.013 0.000 2.283 156 E HA 0.275 4.624 4.350 -0.001 0.000 0.278 156 E C -0.559 176.035 176.600 -0.010 0.000 1.027 156 E CA -0.635 55.767 56.400 0.003 0.000 0.843 156 E CB 0.645 30.341 29.700 -0.007 0.000 1.062 156 E HN 0.561 nan 8.360 nan 0.000 0.401 157 I N -0.052 120.506 120.570 -0.020 0.000 2.969 157 I HA 0.488 4.658 4.170 -0.001 0.000 0.307 157 I C -0.865 175.219 176.117 -0.055 0.000 1.149 157 I CA -1.154 60.120 61.300 -0.043 0.000 1.008 157 I CB 2.198 40.157 38.000 -0.068 0.000 1.232 157 I HN 0.248 nan 8.210 nan 0.000 0.435 158 D N 3.442 123.809 120.400 -0.056 0.000 2.277 158 D HA 0.444 5.083 4.640 -0.001 0.000 0.249 158 D C -0.677 175.576 176.300 -0.079 0.000 1.134 158 D CA 0.062 54.033 54.000 -0.048 0.000 0.863 158 D CB 2.523 43.311 40.800 -0.021 0.000 1.143 158 D HN 0.284 nan 8.370 nan 0.000 0.458 159 V N 3.723 123.593 119.914 -0.075 0.000 2.656 159 V HA 0.392 4.511 4.120 -0.001 0.000 0.307 159 V C 0.335 176.399 176.094 -0.051 0.000 1.051 159 V CA -0.842 61.395 62.300 -0.105 0.000 0.893 159 V CB 2.161 33.923 31.823 -0.102 0.000 0.999 159 V HN 0.377 nan 8.190 nan 0.000 0.426 160 I N 3.303 123.847 120.570 -0.044 0.000 2.315 160 I HA 0.279 4.449 4.170 -0.001 0.000 0.291 160 I C -0.056 176.058 176.117 -0.005 0.000 1.006 160 I CA -0.188 61.103 61.300 -0.015 0.000 1.265 160 I CB 1.219 39.211 38.000 -0.014 0.000 1.387 160 I HN 0.606 nan 8.210 nan 0.000 0.475 161 D N 6.718 127.114 120.400 -0.006 0.000 2.393 161 D HA 0.090 4.729 4.640 -0.001 0.000 0.232 161 D C 0.999 177.309 176.300 0.018 0.000 1.192 161 D CA -0.148 53.850 54.000 -0.003 0.000 0.882 161 D CB 1.490 42.282 40.800 -0.014 0.000 1.038 161 D HN 0.273 nan 8.370 nan 0.000 0.499 162 V N 3.698 123.638 119.914 0.044 0.000 2.332 162 V HA -0.245 3.875 4.120 -0.001 0.000 0.248 162 V C 2.493 178.625 176.094 0.063 0.000 1.055 162 V CA 1.801 64.144 62.300 0.072 0.000 1.038 162 V CB -0.675 31.219 31.823 0.118 0.000 0.651 162 V HN 0.573 nan 8.190 nan 0.000 0.450 163 T N -0.399 114.185 114.554 0.050 0.000 2.833 163 T HA -0.172 4.178 4.350 -0.001 0.000 0.269 163 T C 1.935 176.637 174.700 0.003 0.000 1.054 163 T CA 1.436 63.556 62.100 0.033 0.000 1.135 163 T CB -0.207 68.680 68.868 0.030 0.000 0.869 163 T HN 0.461 nan 8.240 nan 0.000 0.466 164 R N 0.187 120.684 120.500 -0.005 0.000 2.290 164 R HA 0.157 4.496 4.340 -0.001 0.000 0.197 164 R C 0.112 176.396 176.300 -0.027 0.000 0.913 164 R CA -0.046 56.036 56.100 -0.031 0.000 1.040 164 R CB 0.280 30.558 30.300 -0.037 0.000 0.992 164 R HN 0.146 nan 8.270 nan 0.000 0.500 165 Q N -0.649 119.148 119.800 -0.005 0.000 2.452 165 Q HA -0.189 4.150 4.340 -0.001 0.000 0.318 165 Q C -1.097 174.902 176.000 -0.002 0.000 1.386 165 Q CA 1.160 56.962 55.803 -0.002 0.000 0.872 165 Q CB -1.497 27.236 28.738 -0.008 0.000 1.151 165 Q HN 0.459 nan 8.270 nan 0.000 0.417 166 A N 0.147 122.970 122.820 0.005 0.000 2.539 166 A HA 0.647 4.966 4.320 -0.001 0.000 0.296 166 A C -0.962 176.637 177.584 0.024 0.000 1.073 166 A CA -0.604 51.448 52.037 0.024 0.000 0.700 166 A CB 1.650 20.664 19.000 0.023 0.000 1.296 166 A HN 0.191 nan 8.150 nan 0.000 0.405 167 D N -0.286 120.142 120.400 0.046 0.000 2.225 167 D HA 0.600 5.239 4.640 -0.001 0.000 0.249 167 D C -0.408 175.898 176.300 0.010 0.000 1.052 167 D CA 0.147 54.171 54.000 0.040 0.000 0.909 167 D CB 0.874 41.729 40.800 0.091 0.000 1.186 167 D HN 0.595 nan 8.370 nan 0.000 0.431 168 C N 2.117 121.413 119.300 -0.008 0.000 2.971 168 C HA 0.613 5.073 4.460 -0.001 0.000 0.310 168 C C -0.753 174.220 174.990 -0.028 0.000 1.285 168 C CA -0.914 58.092 59.018 -0.021 0.000 1.593 168 C CB 1.786 29.512 27.740 -0.024 0.000 2.076 168 C HN 0.579 nan 8.230 nan 0.000 0.472 169 K N 1.694 122.077 120.400 -0.029 0.000 2.397 169 K HA 0.831 5.150 4.320 -0.001 0.000 0.253 169 K C -0.826 175.766 176.600 -0.013 0.000 0.932 169 K CA -0.191 56.079 56.287 -0.028 0.000 0.795 169 K CB 1.842 34.320 32.500 -0.036 0.000 1.159 169 K HN 0.845 nan 8.250 nan 0.000 0.424 170 M N -0.680 118.918 119.600 -0.003 0.000 2.880 170 M HA 0.520 4.999 4.480 -0.001 0.000 0.269 170 M C -1.457 174.864 176.300 0.035 0.000 1.248 170 M CA -1.262 54.051 55.300 0.022 0.000 0.821 170 M CB 1.422 34.048 32.600 0.044 0.000 1.650 170 M HN -0.003 nan 8.290 nan 0.000 0.479 171 K N 1.533 121.966 120.400 0.055 0.000 2.298 171 K HA 0.235 4.554 4.320 -0.001 0.000 0.280 171 K C 0.592 177.255 176.600 0.104 0.000 1.032 171 K CA -0.363 55.962 56.287 0.064 0.000 0.958 171 K CB 1.509 34.045 32.500 0.061 0.000 0.978 171 K HN 0.771 nan 8.250 nan 0.000 0.472 172 L N 3.915 125.195 121.223 0.095 0.000 2.021 172 L HA -0.190 4.150 4.340 -0.001 0.000 0.215 172 L C 1.907 178.889 176.870 0.186 0.000 1.074 172 L CA 2.559 57.481 54.840 0.136 0.000 0.760 172 L CB -1.056 41.062 42.059 0.098 0.000 0.889 172 L HN 0.911 nan 8.230 nan 0.000 0.433 173 G N -1.217 107.665 108.800 0.136 0.000 2.469 173 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.220 173 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.220 173 G C 1.334 176.316 174.900 0.137 0.000 1.136 173 G CA 0.948 46.126 45.100 0.129 0.000 0.759 173 G HN 0.484 nan 8.290 nan 0.000 0.562 174 D N -0.092 120.390 120.400 0.137 0.000 2.117 174 D HA -0.095 4.544 4.640 -0.001 0.000 0.198 174 D C 2.022 178.429 176.300 0.179 0.000 0.982 174 D CA 0.618 54.698 54.000 0.134 0.000 0.828 174 D CB -0.304 40.562 40.800 0.110 0.000 0.967 174 D HN 0.321 nan 8.370 nan 0.000 0.464 175 F N 1.930 121.933 119.950 0.088 0.000 2.134 175 F HA -0.217 4.309 4.527 -0.001 0.000 0.299 175 F C 2.183 178.106 175.800 0.205 0.000 1.097 175 F CA 0.999 59.076 58.000 0.128 0.000 1.264 175 F CB -0.390 38.644 39.000 0.057 0.000 1.001 175 F HN -0.241 nan 8.300 nan 0.000 0.479 176 V N 0.914 120.861 119.914 0.055 0.000 2.332 176 V HA -0.345 3.774 4.120 -0.001 0.000 0.248 176 V C 2.803 178.912 176.094 0.025 0.000 1.055 176 V CA 2.808 65.092 62.300 -0.026 0.000 1.038 176 V CB -1.772 30.130 31.823 0.132 0.000 0.651 176 V HN 0.504 nan 8.190 nan 0.000 0.450 177 K N -0.220 120.231 120.400 0.085 0.000 2.063 177 K HA -0.287 4.032 4.320 -0.001 0.000 0.208 177 K C 2.059 178.685 176.600 0.044 0.000 1.048 177 K CA 2.165 58.508 56.287 0.092 0.000 0.928 177 K CB -1.349 31.206 32.500 0.092 0.000 0.713 177 K HN 0.752 nan 8.250 nan 0.000 0.442 178 Y N -0.884 119.352 120.300 -0.107 0.000 2.181 178 Y HA -0.169 4.380 4.550 -0.001 0.000 0.288 178 Y C 2.270 178.040 175.900 -0.217 0.000 1.146 178 Y CA 1.789 59.802 58.100 -0.145 0.000 1.164 178 Y CB -0.377 37.989 38.460 -0.156 0.000 0.982 178 Y HN 0.380 nan 8.280 nan 0.000 0.515 179 Y N 0.024 119.920 120.300 -0.673 0.000 2.036 179 Y HA -0.316 4.234 4.550 -0.001 0.000 0.273 179 Y C 1.963 177.522 175.900 -0.568 0.000 1.135 179 Y CA 2.371 59.986 58.100 -0.808 0.000 1.106 179 Y CB -1.143 36.785 38.460 -0.886 0.000 0.976 179 Y HN 0.172 nan 8.280 nan 0.000 0.483 180 Y N 0.061 120.271 120.300 -0.150 0.000 2.680 180 Y HA 0.019 4.568 4.550 -0.001 0.000 0.303 180 Y C 1.641 177.425 175.900 -0.193 0.000 1.166 180 Y CA 0.672 58.679 58.100 -0.156 0.000 1.344 180 Y CB -0.923 37.514 38.460 -0.039 0.000 1.002 180 Y HN -0.057 nan 8.280 nan 0.000 0.537 181 S N 0.206 115.832 115.700 -0.123 0.000 2.558 181 S HA 0.088 4.557 4.470 -0.001 0.000 0.288 181 S C 1.635 176.148 174.600 -0.144 0.000 1.318 181 S CA 0.171 58.297 58.200 -0.123 0.000 1.056 181 S CB 0.642 63.741 63.200 -0.168 0.000 0.853 181 S HN 0.555 nan 8.310 nan 0.000 0.505 182 G N 2.461 111.210 108.800 -0.086 0.000 2.956 182 G HA2 0.428 4.388 3.960 -0.001 0.000 0.207 182 G HA3 0.428 4.388 3.960 -0.001 0.000 0.207 182 G C 0.238 175.086 174.900 -0.087 0.000 1.162 182 G CA 0.549 45.601 45.100 -0.079 0.000 0.796 182 G HN 1.082 nan 8.290 nan 0.000 0.527 183 K N 0.314 120.650 120.400 -0.108 0.000 2.542 183 K HA 0.762 5.081 4.320 -0.001 0.000 0.259 183 K C -0.766 175.767 176.600 -0.113 0.000 0.932 183 K CA -0.894 55.341 56.287 -0.086 0.000 0.820 183 K CB 1.064 33.541 32.500 -0.038 0.000 1.345 183 K HN 0.237 nan 8.250 nan 0.000 0.432 184 R N 2.051 122.502 120.500 -0.082 0.000 2.576 184 R HA 0.222 4.562 4.340 -0.001 0.000 0.283 184 R C -0.197 176.152 176.300 0.081 0.000 1.493 184 R CA -0.464 55.624 56.100 -0.019 0.000 1.170 184 R CB 1.260 31.483 30.300 -0.129 0.000 1.189 184 R HN 0.870 nan 8.270 nan 0.000 0.542 185 E N 1.448 121.715 120.200 0.112 0.000 2.427 185 E HA -0.027 4.323 4.350 -0.001 0.000 0.196 185 E C -0.130 176.532 176.600 0.103 0.000 1.028 185 E CA 0.843 57.293 56.400 0.084 0.000 0.864 185 E CB 0.420 30.158 29.700 0.063 0.000 0.813 185 E HN 0.257 nan 8.360 nan 0.000 0.514 186 K N 0.743 121.247 120.400 0.174 0.000 2.318 186 K HA 0.410 4.730 4.320 -0.001 0.000 0.249 186 K C -0.967 175.759 176.600 0.211 0.000 0.942 186 K CA -0.682 55.685 56.287 0.133 0.000 0.808 186 K CB 3.048 35.572 32.500 0.039 0.000 1.189 186 K HN -0.226 nan 8.250 nan 0.000 0.428 187 V N 4.400 124.398 119.914 0.141 0.000 2.304 187 V HA 0.278 4.398 4.120 -0.001 0.000 0.269 187 V C -0.315 175.859 176.094 0.133 0.000 1.036 187 V CA -0.599 61.808 62.300 0.179 0.000 0.840 187 V CB -0.013 31.892 31.823 0.136 0.000 1.036 187 V HN 0.507 nan 8.190 nan 0.000 0.466 188 L N 4.113 125.441 121.223 0.175 0.000 2.331 188 L HA 0.681 5.021 4.340 -0.001 0.000 0.275 188 L C -0.257 176.767 176.870 0.257 0.000 1.022 188 L CA -0.540 54.359 54.840 0.098 0.000 0.812 188 L CB 1.952 43.907 42.059 -0.173 0.000 1.257 188 L HN 0.533 nan 8.230 nan 0.000 0.435 189 N N 1.276 120.052 118.700 0.127 0.000 2.454 189 N HA 0.377 5.116 4.740 -0.001 0.000 0.291 189 N C -1.524 173.938 175.510 -0.080 0.000 1.079 189 N CA -0.361 52.739 53.050 0.083 0.000 0.893 189 N CB 2.203 40.732 38.487 0.070 0.000 1.512 189 N HN 0.239 nan 8.380 nan 0.000 0.497 190 V N 5.617 125.405 119.914 -0.210 0.000 2.350 190 V HA 0.367 4.486 4.120 -0.001 0.000 0.276 190 V C 1.209 177.215 176.094 -0.148 0.000 1.028 190 V CA -0.416 61.697 62.300 -0.311 0.000 0.860 190 V CB 0.651 32.082 31.823 -0.654 0.000 0.990 190 V HN 0.773 nan 8.190 nan 0.000 0.453 191 I N 0.761 121.288 120.570 -0.073 0.000 4.442 191 I HA 0.324 4.494 4.170 -0.001 0.000 0.331 191 I C 0.875 177.029 176.117 0.062 0.000 1.364 191 I CA 0.333 61.620 61.300 -0.021 0.000 1.207 191 I CB 1.064 39.047 38.000 -0.028 0.000 1.298 191 I HN 0.374 nan 8.210 nan 0.000 0.463 192 S N 1.532 117.299 115.700 0.111 0.000 2.578 192 S HA 0.328 4.798 4.470 -0.001 0.000 0.231 192 S C 0.359 175.129 174.600 0.284 0.000 0.994 192 S CA -0.334 58.034 58.200 0.280 0.000 0.956 192 S CB 0.147 63.442 63.200 0.160 0.000 0.870 192 S HN 0.349 nan 8.310 nan 0.000 0.494 193 L N 3.784 125.113 121.223 0.176 0.000 2.462 193 L HA 0.302 4.641 4.340 -0.001 0.000 0.283 193 L C 0.107 176.971 176.870 -0.009 0.000 1.166 193 L CA 0.318 55.198 54.840 0.066 0.000 0.964 193 L CB -0.334 41.747 42.059 0.037 0.000 1.294 193 L HN -0.045 nan 8.230 nan 0.000 0.449 194 E N 4.603 124.616 120.200 -0.311 0.000 2.152 194 E HA 0.056 4.406 4.350 -0.001 0.000 0.285 194 E C -0.219 176.239 176.600 -0.236 0.000 1.043 194 E CA -0.277 55.738 56.400 -0.643 0.000 0.839 194 E CB 0.520 29.681 29.700 -0.897 0.000 1.069 194 E HN 0.590 nan 8.360 nan 0.000 0.399 195 F N 2.159 122.026 119.950 -0.139 0.000 2.639 195 F HA 0.284 4.811 4.527 -0.001 0.000 0.300 195 F C 1.614 177.405 175.800 -0.015 0.000 1.109 195 F CA -0.555 57.425 58.000 -0.034 0.000 1.335 195 F CB 0.120 39.148 39.000 0.046 0.000 1.014 195 F HN 0.253 nan 8.300 nan 0.000 0.537 196 S N 1.442 116.952 115.700 -0.316 0.000 2.420 196 S HA -0.232 4.237 4.470 -0.001 0.000 0.237 196 S C 1.474 176.048 174.600 -0.043 0.000 1.023 196 S CA 2.002 60.077 58.200 -0.208 0.000 0.991 196 S CB -0.557 62.509 63.200 -0.222 0.000 0.792 196 S HN 0.715 nan 8.310 nan 0.000 0.488 197 D N 0.490 120.886 120.400 -0.007 0.000 2.424 197 D HA 0.134 4.773 4.640 -0.001 0.000 0.220 197 D C 0.642 176.988 176.300 0.077 0.000 1.150 197 D CA 0.044 54.059 54.000 0.026 0.000 0.831 197 D CB -0.373 40.428 40.800 0.002 0.000 0.981 197 D HN 0.434 nan 8.370 nan 0.000 0.500 198 T N -3.564 111.074 114.554 0.141 0.000 2.927 198 T HA 0.434 4.783 4.350 -0.001 0.000 0.286 198 T C 1.033 175.861 174.700 0.213 0.000 1.040 198 T CA -0.895 61.312 62.100 0.179 0.000 1.010 198 T CB 2.194 71.197 68.868 0.225 0.000 1.177 198 T HN -0.173 nan 8.240 nan 0.000 0.546 199 R N -0.601 120.042 120.500 0.238 0.000 2.189 199 R HA 0.055 4.394 4.340 -0.001 0.000 0.223 199 R C 1.966 178.439 176.300 0.288 0.000 1.092 199 R CA 0.403 56.673 56.100 0.282 0.000 0.989 199 R CB -0.552 29.953 30.300 0.341 0.000 0.876 199 R HN 0.473 nan 8.270 nan 0.000 0.457 200 L N 0.609 121.994 121.223 0.270 0.000 2.265 200 L HA -0.119 4.220 4.340 -0.001 0.000 0.215 200 L C 2.119 179.073 176.870 0.140 0.000 1.117 200 L CA 1.567 56.408 54.840 0.001 0.000 0.782 200 L CB -0.531 41.430 42.059 -0.162 0.000 0.914 200 L HN -0.017 nan 8.230 nan 0.000 0.441 201 S N -0.489 115.438 115.700 0.378 0.000 2.419 201 S HA -0.148 4.321 4.470 -0.001 0.000 0.233 201 S C 1.747 176.425 174.600 0.130 0.000 1.016 201 S CA 1.270 59.668 58.200 0.330 0.000 0.974 201 S CB -0.415 62.897 63.200 0.188 0.000 0.786 201 S HN 0.648 nan 8.310 nan 0.000 0.492 202 N N 1.201 119.948 118.700 0.077 0.000 2.396 202 N HA 0.056 4.796 4.740 -0.001 0.000 0.180 202 N C 1.112 176.591 175.510 -0.052 0.000 1.028 202 N CA 0.696 53.759 53.050 0.022 0.000 0.893 202 N CB -0.225 38.293 38.487 0.052 0.000 0.967 202 N HN 0.464 nan 8.380 nan 0.000 0.440 203 L N 0.465 121.609 121.223 -0.132 0.000 2.628 203 L HA 0.235 4.574 4.340 -0.001 0.000 0.229 203 L C -0.215 176.491 176.870 -0.274 0.000 1.137 203 L CA -0.012 54.675 54.840 -0.255 0.000 0.909 203 L CB 0.398 42.174 42.059 -0.472 0.000 1.137 203 L HN -0.209 nan 8.230 nan 0.000 0.470 204 V N -0.465 119.365 119.914 -0.140 0.000 2.733 204 V HA 0.386 4.505 4.120 -0.001 0.000 0.306 204 V C -1.040 175.007 176.094 -0.079 0.000 1.084 204 V CA -0.610 61.612 62.300 -0.130 0.000 0.905 204 V CB 2.812 34.646 31.823 0.018 0.000 1.010 204 V HN 0.010 nan 8.190 nan 0.000 0.424 205 E N 2.302 122.414 120.200 -0.147 0.000 2.246 205 E HA 0.604 4.954 4.350 -0.001 0.000 0.266 205 E C -0.130 176.304 176.600 -0.276 0.000 0.880 205 E CA -0.385 55.917 56.400 -0.164 0.000 0.762 205 E CB 1.877 31.481 29.700 -0.159 0.000 1.180 205 E HN 0.886 nan 8.360 nan 0.000 0.416 206 T N 2.004 116.359 114.554 -0.331 0.000 2.860 206 T HA 0.406 4.755 4.350 -0.001 0.000 0.299 206 T C -2.146 172.178 174.700 -0.626 0.000 1.045 206 T CA -1.518 60.167 62.100 -0.691 0.000 1.071 206 T CB 0.688 69.185 68.868 -0.618 0.000 0.985 206 T HN 0.246 nan 8.240 nan 0.000 0.537 207 P HA 0.059 nan 4.420 nan 0.000 0.264 207 P C 0.766 177.860 177.300 -0.345 0.000 1.179 207 P CA -0.181 62.662 63.100 -0.428 0.000 0.763 207 P CB 0.472 32.024 31.700 -0.246 0.000 0.806 208 K N 2.885 123.134 120.400 -0.252 0.000 2.063 208 K HA -0.204 4.115 4.320 -0.001 0.000 0.208 208 K C 1.719 178.181 176.600 -0.230 0.000 1.048 208 K CA 1.411 57.571 56.287 -0.213 0.000 0.928 208 K CB -0.433 31.965 32.500 -0.169 0.000 0.713 208 K HN 0.295 nan 8.250 nan 0.000 0.442 209 I N 0.725 121.137 120.570 -0.265 0.000 2.335 209 I HA -0.247 3.923 4.170 -0.001 0.000 0.251 209 I C 1.733 177.641 176.117 -0.349 0.000 1.129 209 I CA 1.145 62.265 61.300 -0.300 0.000 1.402 209 I CB -0.011 37.742 38.000 -0.412 0.000 1.069 209 I HN -0.028 nan 8.210 nan 0.000 0.424 210 V N 0.614 120.259 119.914 -0.447 0.000 2.307 210 V HA -0.249 3.870 4.120 -0.001 0.000 0.245 210 V C 2.604 178.442 176.094 -0.426 0.000 1.045 210 V CA 2.071 63.935 62.300 -0.727 0.000 1.024 210 V CB -0.788 30.556 31.823 -0.799 0.000 0.651 210 V HN 0.367 nan 8.190 nan 0.000 0.449 211 R N -0.158 120.173 120.500 -0.282 0.000 2.148 211 R HA -0.111 4.229 4.340 -0.001 0.000 0.227 211 R C 2.347 178.603 176.300 -0.073 0.000 1.103 211 R CA 1.117 57.132 56.100 -0.142 0.000 0.983 211 R CB -0.209 30.012 30.300 -0.133 0.000 0.874 211 R HN 0.497 nan 8.270 nan 0.000 0.451 212 K N 0.195 120.536 120.400 -0.097 0.000 2.167 212 K HA -0.010 4.310 4.320 -0.001 0.000 0.203 212 K C 1.879 178.497 176.600 0.030 0.000 1.052 212 K CA 0.862 57.127 56.287 -0.036 0.000 0.956 212 K CB 0.167 32.629 32.500 -0.064 0.000 0.735 212 K HN 0.160 nan 8.250 nan 0.000 0.451 213 L N 0.292 121.525 121.223 0.016 0.000 2.298 213 L HA 0.046 4.386 4.340 -0.001 0.000 0.209 213 L C 1.167 178.216 176.870 0.297 0.000 1.084 213 L CA -0.182 54.750 54.840 0.153 0.000 0.816 213 L CB 0.022 42.158 42.059 0.129 0.000 0.967 213 L HN -0.015 nan 8.230 nan 0.000 0.460 214 S N -0.154 115.683 115.700 0.229 0.000 2.673 214 S HA -0.138 4.331 4.470 -0.001 0.000 0.308 214 S C 0.858 175.716 174.600 0.431 0.000 1.246 214 S CA -0.255 58.147 58.200 0.336 0.000 1.077 214 S CB 0.188 63.523 63.200 0.226 0.000 0.814 214 S HN 0.213 nan 8.310 nan 0.000 0.503 215 W N 4.263 125.715 121.300 0.252 0.000 2.355 215 W HA -0.063 4.596 4.660 -0.001 0.000 0.309 215 W C 2.325 178.980 176.519 0.228 0.000 1.206 215 W CA 0.506 57.971 57.345 0.199 0.000 1.284 215 W CB -1.465 28.094 29.460 0.166 0.000 1.145 215 W HN 0.594 nan 8.180 nan 0.000 0.502 216 V N 0.246 120.480 119.914 0.534 0.000 2.343 216 V HA -0.275 3.845 4.120 -0.001 0.000 0.247 216 V C 2.210 178.491 176.094 0.312 0.000 1.051 216 V CA 2.344 64.908 62.300 0.440 0.000 1.036 216 V CB -0.848 31.185 31.823 0.350 0.000 0.654 216 V HN 0.026 nan 8.190 nan 0.000 0.451 217 E N 0.794 121.144 120.200 0.250 0.000 2.085 217 E HA -0.202 4.148 4.350 -0.001 0.000 0.194 217 E C 1.918 178.597 176.600 0.132 0.000 0.994 217 E CA 1.860 58.356 56.400 0.158 0.000 0.801 217 E CB -0.174 29.596 29.700 0.117 0.000 0.743 217 E HN 0.630 nan 8.360 nan 0.000 0.453 218 N N -1.028 117.756 118.700 0.140 0.000 2.414 218 N HA 0.078 4.817 4.740 -0.001 0.000 0.177 218 N C 1.046 176.556 175.510 -0.001 0.000 1.062 218 N CA 0.474 53.560 53.050 0.060 0.000 0.890 218 N CB 0.557 39.066 38.487 0.037 0.000 1.070 218 N HN 0.230 nan 8.380 nan 0.000 0.454 219 L N -0.978 120.271 121.223 0.044 0.000 2.766 219 L HA 0.301 4.640 4.340 -0.001 0.000 0.242 219 L C 0.101 176.925 176.870 -0.078 0.000 1.136 219 L CA -0.249 54.559 54.840 -0.053 0.000 0.933 219 L CB 0.585 42.588 42.059 -0.094 0.000 1.241 219 L HN 0.139 nan 8.230 nan 0.000 0.522 220 W N 5.778 127.015 121.300 -0.105 0.000 2.342 220 W HA 0.300 4.958 4.660 -0.003 0.000 0.310 220 W C -2.121 174.293 176.519 -0.176 0.000 1.128 220 W CA -1.613 55.638 57.345 -0.156 0.000 1.322 220 W CB 0.934 30.416 29.460 0.037 0.000 1.251 220 W HN -0.079 nan 8.180 nan 0.000 0.439 221 P HA 0.141 nan 4.420 nan 0.000 0.272 221 P C -0.564 176.686 177.300 -0.084 0.000 1.240 221 P CA 0.126 63.053 63.100 -0.288 0.000 0.791 221 P CB 0.646 32.090 31.700 -0.426 0.000 0.978 222 E N -0.218 119.977 120.200 -0.008 0.000 2.324 222 E HA 0.405 4.754 4.350 -0.001 0.000 0.271 222 E C 0.971 177.600 176.600 0.048 0.000 1.028 222 E CA 0.525 56.962 56.400 0.062 0.000 0.890 222 E CB -0.900 28.825 29.700 0.041 0.000 1.004 222 E HN 0.762 nan 8.360 nan 0.000 0.431 223 E N -0.129 120.139 120.200 0.114 0.000 3.948 223 E HA -0.416 3.934 4.350 -0.001 0.000 0.200 223 E C 2.583 179.238 176.600 0.092 0.000 1.198 223 E CA 3.558 60.017 56.400 0.098 0.000 2.232 223 E CB -2.818 26.905 29.700 0.040 0.000 1.824 223 E HN 2.714 nan 8.360 nan 0.000 0.346 224 C N -1.335 117.968 119.300 0.005 0.000 4.238 224 C HA 0.209 4.669 4.460 -0.001 0.000 0.287 224 C C 2.511 177.462 174.990 -0.065 0.000 1.546 224 C CA 2.689 61.694 59.018 -0.023 0.000 1.989 224 C CB -3.006 24.681 27.740 -0.089 0.000 1.527 224 C HN 3.094 nan 8.230 nan 0.000 0.764 225 V N -4.310 115.559 119.914 -0.074 0.000 1.929 225 V HA -0.203 3.916 4.120 -0.001 0.000 0.098 225 V C 0.680 176.617 176.094 -0.262 0.000 1.162 225 V CA 2.465 64.631 62.300 -0.222 0.000 1.872 225 V CB -2.341 29.237 31.823 -0.408 0.000 1.572 225 V HN 1.389 nan 8.190 nan 0.000 0.948 226 F N 0.993 121.073 119.950 0.216 0.000 2.508 226 F HA 0.717 5.246 4.527 0.003 0.000 0.325 226 F C 0.577 176.661 175.800 0.474 0.000 1.090 226 F CA -0.851 57.362 58.000 0.355 0.000 0.945 226 F CB 1.346 40.646 39.000 0.499 0.000 1.156 226 F HN 0.476 nan 8.300 nan 0.000 0.463 227 E N 2.182 122.694 120.200 0.520 0.000 2.384 227 E HA 0.217 4.566 4.350 -0.001 0.000 0.266 227 E C 0.060 176.754 176.600 0.156 0.000 1.012 227 E CA -0.719 55.855 56.400 0.290 0.000 0.901 227 E CB 0.293 30.079 29.700 0.142 0.000 0.967 227 E HN 0.677 nan 8.360 nan 0.000 0.435 228 R N 3.016 123.500 120.500 -0.027 0.000 2.449 228 R HA 0.174 4.513 4.340 -0.001 0.000 0.296 228 R C -2.263 173.703 176.300 -0.557 0.000 1.047 228 R CA -1.169 54.548 56.100 -0.639 0.000 1.018 228 R CB 0.196 30.279 30.300 -0.362 0.000 0.962 228 R HN 0.346 nan 8.270 nan 0.000 0.428 229 P HA 0.059 nan 4.420 nan 0.000 0.271 229 P C -1.292 175.819 177.300 -0.315 0.000 1.226 229 P CA 0.055 62.870 63.100 -0.474 0.000 0.765 229 P CB 0.618 32.021 31.700 -0.495 0.000 0.835 230 N N 3.043 121.591 118.700 -0.252 0.000 2.626 230 N HA 0.211 4.951 4.740 -0.001 0.000 0.242 230 N C -0.023 175.399 175.510 -0.146 0.000 1.005 230 N CA -0.223 52.725 53.050 -0.170 0.000 0.905 230 N CB 1.488 39.871 38.487 -0.173 0.000 1.128 230 N HN 0.150 nan 8.380 nan 0.000 0.512 231 V N -0.527 119.389 119.914 0.005 0.000 3.261 231 V HA 0.255 4.374 4.120 -0.001 0.000 0.330 231 V C 1.115 177.472 176.094 0.438 0.000 1.461 231 V CA -0.191 62.257 62.300 0.248 0.000 1.127 231 V CB 0.461 32.504 31.823 0.367 0.000 1.044 231 V HN 0.365 nan 8.190 nan 0.000 0.499 232 Q N 1.305 121.264 119.800 0.264 0.000 2.376 232 Q HA 0.295 4.634 4.340 -0.001 0.000 0.206 232 Q C 0.177 176.409 176.000 0.386 0.000 0.921 232 Q CA 0.555 56.592 55.803 0.391 0.000 0.911 232 Q CB 0.452 29.362 28.738 0.287 0.000 1.032 232 Q HN 0.639 nan 8.270 nan 0.000 0.510 233 K N 0.502 120.921 120.400 0.032 0.000 2.527 233 K HA 0.292 4.612 4.320 -0.001 0.000 0.240 233 K C -1.698 174.613 176.600 -0.481 0.000 0.989 233 K CA -0.288 55.862 56.287 -0.228 0.000 0.985 233 K CB 1.193 33.250 32.500 -0.739 0.000 1.221 233 K HN -0.063 nan 8.250 nan 0.000 0.458 234 Y N 0.256 120.516 120.300 -0.067 0.000 2.509 234 Y HA 0.359 4.909 4.550 -0.001 0.000 0.341 234 Y C -0.091 175.958 175.900 0.247 0.000 1.038 234 Y CA -0.980 57.154 58.100 0.057 0.000 1.089 234 Y CB 1.734 40.172 38.460 -0.037 0.000 1.241 234 Y HN 0.498 nan 8.280 nan 0.000 0.468 235 C N 5.499 125.004 119.300 0.342 0.000 2.319 235 C HA 0.679 5.138 4.460 -0.001 0.000 0.323 235 C C -1.342 173.540 174.990 -0.180 0.000 1.277 235 C CA -0.806 58.143 59.018 -0.115 0.000 1.517 235 C CB -1.204 26.424 27.740 -0.186 0.000 2.206 235 C HN 0.598 nan 8.230 nan 0.000 0.486 236 L N 7.193 128.221 121.223 -0.324 0.000 2.282 236 L HA 0.554 4.894 4.340 -0.001 0.000 0.288 236 L C -0.086 176.666 176.870 -0.198 0.000 1.033 236 L CA 0.002 54.715 54.840 -0.211 0.000 0.807 236 L CB 1.105 43.045 42.059 -0.199 0.000 1.209 236 L HN 0.760 nan 8.230 nan 0.000 0.423 237 M N 3.321 122.837 119.600 -0.141 0.000 2.067 237 M HA 0.368 4.848 4.480 -0.001 0.000 0.286 237 M C -0.736 175.614 176.300 0.083 0.000 0.922 237 M CA -0.074 55.178 55.300 -0.081 0.000 0.937 237 M CB 1.994 34.517 32.600 -0.129 0.000 1.550 237 M HN 0.448 nan 8.290 nan 0.000 0.433 238 S N 2.058 117.856 115.700 0.164 0.000 2.532 238 S HA 0.688 5.157 4.470 -0.001 0.000 0.299 238 S C -0.161 174.626 174.600 0.312 0.000 1.105 238 S CA -0.984 57.353 58.200 0.229 0.000 1.018 238 S CB 2.088 65.368 63.200 0.133 0.000 1.021 238 S HN 0.561 nan 8.310 nan 0.000 0.483 239 V N 0.626 120.740 119.914 0.334 0.000 2.904 239 V HA 0.565 4.684 4.120 -0.001 0.000 0.305 239 V C 0.648 176.824 176.094 0.137 0.000 1.067 239 V CA -1.217 61.214 62.300 0.220 0.000 1.044 239 V CB 0.584 32.516 31.823 0.183 0.000 1.050 239 V HN 0.968 nan 8.190 nan 0.000 0.475 240 R N 1.419 121.959 120.500 0.067 0.000 2.619 240 R HA -0.059 4.280 4.340 -0.001 0.000 0.268 240 R C 0.177 176.527 176.300 0.083 0.000 0.990 240 R CA 1.245 57.381 56.100 0.059 0.000 1.092 240 R CB -0.364 29.948 30.300 0.020 0.000 0.935 240 R HN 1.048 nan 8.270 nan 0.000 0.415 241 D N 0.699 121.153 120.400 0.091 0.000 3.077 241 D HA -0.151 4.489 4.640 -0.001 0.000 0.212 241 D C -0.714 175.682 176.300 0.159 0.000 1.125 241 D CA 1.423 55.491 54.000 0.113 0.000 0.970 241 D CB -1.100 39.754 40.800 0.090 0.000 1.110 241 D HN 0.498 nan 8.370 nan 0.000 0.419 242 S N -0.382 115.413 115.700 0.158 0.000 2.572 242 S HA 0.348 4.817 4.470 -0.001 0.000 0.279 242 S C -0.177 174.560 174.600 0.228 0.000 1.341 242 S CA -0.137 58.165 58.200 0.171 0.000 1.043 242 S CB 1.065 64.347 63.200 0.136 0.000 0.887 242 S HN 0.325 nan 8.310 nan 0.000 0.516 243 Y N 1.023 121.370 120.300 0.078 0.000 2.401 243 Y HA 0.363 4.912 4.550 -0.001 0.000 0.330 243 Y C -0.888 175.041 175.900 0.047 0.000 1.071 243 Y CA -0.505 57.648 58.100 0.089 0.000 1.049 243 Y CB 1.310 39.876 38.460 0.176 0.000 1.239 243 Y HN 0.554 nan 8.280 nan 0.000 0.437 244 T N 5.928 120.045 114.554 -0.728 0.000 2.770 244 T HA 0.188 4.537 4.350 -0.001 0.000 0.283 244 T C -0.752 173.403 174.700 -0.909 0.000 0.988 244 T CA -0.548 61.200 62.100 -0.588 0.000 0.957 244 T CB 0.811 69.495 68.868 -0.306 0.000 0.930 244 T HN 0.571 nan 8.240 nan 0.000 0.443 245 D N 1.168 121.246 120.400 -0.536 0.000 2.363 245 D HA 0.161 4.800 4.640 -0.001 0.000 0.240 245 D C 0.011 176.327 176.300 0.027 0.000 1.236 245 D CA -0.600 53.299 54.000 -0.168 0.000 0.927 245 D CB 0.390 41.342 40.800 0.254 0.000 1.150 245 D HN 0.298 nan 8.370 nan 0.000 0.458 246 F N 2.018 122.104 119.950 0.226 0.000 2.623 246 F HA 0.114 4.641 4.527 -0.001 0.000 0.383 246 F C 1.172 177.137 175.800 0.274 0.000 1.077 246 F CA 0.833 58.881 58.000 0.080 0.000 1.268 246 F CB 0.144 39.048 39.000 -0.161 0.000 1.053 246 F HN 0.264 nan 8.300 nan 0.000 0.571 247 H N 1.691 120.804 119.070 0.072 0.000 2.932 247 H HA 0.562 5.118 4.556 -0.001 0.000 0.307 247 H C -1.641 173.510 175.328 -0.296 0.000 1.391 247 H CA -1.207 54.862 56.048 0.035 0.000 1.130 247 H CB 1.041 30.780 29.762 -0.037 0.000 1.836 247 H HN 0.465 nan 8.280 nan 0.000 0.522 248 I N 1.673 122.155 120.570 -0.146 0.000 2.389 248 I HA 0.124 4.294 4.170 -0.001 0.000 0.288 248 I C -0.546 175.609 176.117 0.065 0.000 0.999 248 I CA -0.633 60.566 61.300 -0.169 0.000 1.129 248 I CB 1.624 39.486 38.000 -0.230 0.000 1.288 248 I HN 0.473 nan 8.210 nan 0.000 0.444 249 D N 5.824 126.273 120.400 0.081 0.000 2.449 249 D HA 0.070 4.710 4.640 -0.001 0.000 0.236 249 D C -0.140 176.100 176.300 -0.099 0.000 1.149 249 D CA 0.433 54.414 54.000 -0.031 0.000 0.878 249 D CB 0.409 41.095 40.800 -0.190 0.000 1.198 249 D HN 0.255 nan 8.370 nan 0.000 0.446 250 F N 0.259 120.313 119.950 0.173 0.000 2.635 250 F HA 0.196 4.723 4.527 -0.000 0.000 0.379 250 F C 1.630 177.563 175.800 0.223 0.000 1.094 250 F CA -0.454 57.663 58.000 0.195 0.000 1.300 250 F CB -0.494 38.645 39.000 0.230 0.000 1.035 250 F HN 0.499 nan 8.300 nan 0.000 0.581 251 G N 1.179 110.181 108.800 0.337 0.000 2.186 251 G HA2 0.043 4.003 3.960 -0.001 0.000 0.266 251 G HA3 0.043 4.003 3.960 -0.001 0.000 0.266 251 G C 1.173 176.087 174.900 0.023 0.000 0.982 251 G CA 0.620 45.792 45.100 0.121 0.000 0.670 251 G HN 2.610 nan 8.290 nan 0.000 0.533 252 G N -1.174 107.625 108.800 -0.002 0.000 2.198 252 G HA2 0.052 4.012 3.960 -0.001 0.000 0.260 252 G HA3 0.052 4.012 3.960 -0.001 0.000 0.260 252 G C 0.787 175.593 174.900 -0.157 0.000 1.025 252 G CA 1.412 46.471 45.100 -0.070 0.000 0.769 252 G HN 2.406 nan 8.290 nan 0.000 0.507 253 T N -1.283 113.170 114.554 -0.169 0.000 2.855 253 T HA 0.557 4.906 4.350 -0.001 0.000 0.314 253 T C 0.771 175.274 174.700 -0.327 0.000 1.077 253 T CA 0.375 62.321 62.100 -0.257 0.000 1.095 253 T CB 1.603 70.373 68.868 -0.163 0.000 0.987 253 T HN 0.451 nan 8.240 nan 0.000 0.546 254 S N 0.296 115.681 115.700 -0.525 0.000 2.646 254 S HA 0.608 5.077 4.470 -0.001 0.000 0.276 254 S C -0.328 174.026 174.600 -0.411 0.000 1.222 254 S CA -0.861 57.016 58.200 -0.539 0.000 1.014 254 S CB 1.102 63.874 63.200 -0.714 0.000 0.991 254 S HN 0.673 nan 8.310 nan 0.000 0.533 255 V N 2.919 122.798 119.914 -0.057 0.000 2.588 255 V HA 0.497 4.617 4.120 -0.001 0.000 0.304 255 V C -0.754 175.545 176.094 0.342 0.000 1.042 255 V CA -0.844 61.542 62.300 0.143 0.000 0.877 255 V CB 1.589 33.412 31.823 -0.001 0.000 0.996 255 V HN 0.946 nan 8.190 nan 0.000 0.425 256 W N 4.726 126.193 121.300 0.278 0.000 2.478 256 W HA 0.732 5.390 4.660 -0.002 0.000 0.318 256 W C -2.032 174.469 176.519 -0.029 0.000 1.062 256 W CA -1.258 56.044 57.345 -0.072 0.000 1.210 256 W CB 0.990 30.431 29.460 -0.031 0.000 1.325 256 W HN 0.647 nan 8.180 nan 0.000 0.496 257 Y N 3.937 124.089 120.300 -0.247 0.000 2.327 257 Y HA 0.237 4.786 4.550 -0.001 0.000 0.325 257 Y C -1.119 174.767 175.900 -0.024 0.000 0.999 257 Y CA -0.843 57.122 58.100 -0.225 0.000 1.195 257 Y CB 1.143 39.484 38.460 -0.199 0.000 1.132 257 Y HN 0.638 nan 8.280 nan 0.000 0.455 258 H N 4.318 123.385 119.070 -0.004 0.000 2.541 258 H HA 0.540 5.096 4.556 -0.001 0.000 0.316 258 H C -1.363 174.055 175.328 0.151 0.000 1.043 258 H CA -0.545 55.605 56.048 0.170 0.000 1.232 258 H CB 1.024 30.979 29.762 0.321 0.000 1.406 258 H HN 0.432 nan 8.280 nan 0.000 0.469 259 V N 7.927 127.712 119.914 -0.217 0.000 2.405 259 V HA -0.034 4.085 4.120 -0.001 0.000 0.264 259 V C 1.039 177.015 176.094 -0.196 0.000 1.048 259 V CA -0.146 62.106 62.300 -0.080 0.000 0.966 259 V CB 0.578 32.415 31.823 0.023 0.000 1.015 259 V HN 0.758 nan 8.190 nan 0.000 0.477 260 L N 5.604 126.865 121.223 0.063 0.000 2.162 260 L HA 0.342 4.681 4.340 -0.001 0.000 0.205 260 L C 1.116 178.065 176.870 0.133 0.000 1.086 260 L CA 1.699 56.650 54.840 0.185 0.000 0.778 260 L CB -0.384 41.904 42.059 0.382 0.000 0.928 260 L HN 0.656 nan 8.230 nan 0.000 0.446 261 K N -1.108 119.361 120.400 0.116 0.000 2.535 261 K HA 0.686 5.005 4.320 -0.001 0.000 0.251 261 K C 0.130 176.784 176.600 0.091 0.000 0.942 261 K CA -0.245 56.106 56.287 0.106 0.000 0.798 261 K CB 0.545 33.125 32.500 0.133 0.000 1.267 261 K HN 0.730 nan 8.250 nan 0.000 0.434 262 G N 0.211 109.057 108.800 0.076 0.000 2.475 262 G HA2 0.066 4.025 3.960 -0.001 0.000 0.223 262 G HA3 0.066 4.025 3.960 -0.001 0.000 0.223 262 G C -0.360 174.576 174.900 0.061 0.000 1.201 262 G CA 0.299 45.441 45.100 0.071 0.000 0.962 262 G HN 1.398 nan 8.290 nan 0.000 0.586 263 E N -0.494 119.745 120.200 0.064 0.000 2.375 263 E HA 0.581 4.931 4.350 -0.001 0.000 0.280 263 E C -1.446 175.185 176.600 0.052 0.000 0.972 263 E CA -0.911 55.523 56.400 0.056 0.000 0.782 263 E CB 1.375 31.097 29.700 0.037 0.000 1.229 263 E HN 0.409 nan 8.360 nan 0.000 0.439 264 K N 2.883 123.311 120.400 0.047 0.000 2.422 264 K HA 0.550 4.869 4.320 -0.001 0.000 0.251 264 K C -0.888 175.658 176.600 -0.091 0.000 0.933 264 K CA -0.658 55.603 56.287 -0.044 0.000 0.798 264 K CB 1.731 34.212 32.500 -0.030 0.000 1.238 264 K HN 0.511 nan 8.250 nan 0.000 0.428 265 I N 2.965 123.380 120.570 -0.257 0.000 2.406 265 I HA 0.389 4.559 4.170 -0.001 0.000 0.290 265 I C -0.637 175.105 176.117 -0.626 0.000 0.999 265 I CA -0.788 60.320 61.300 -0.319 0.000 1.124 265 I CB 0.915 38.726 38.000 -0.316 0.000 1.289 265 I HN 0.341 nan 8.210 nan 0.000 0.441 266 F N 4.939 124.558 119.950 -0.551 0.000 2.450 266 F HA 0.478 5.004 4.527 -0.001 0.000 0.332 266 F C -0.653 174.762 175.800 -0.641 0.000 1.093 266 F CA -0.633 57.077 58.000 -0.483 0.000 1.003 266 F CB 1.427 40.242 39.000 -0.308 0.000 1.151 266 F HN 0.236 nan 8.300 nan 0.000 0.474 267 Y N 3.453 123.857 120.300 0.173 0.000 2.388 267 Y HA 0.527 5.076 4.550 -0.001 0.000 0.328 267 Y C -0.693 175.465 175.900 0.431 0.000 0.963 267 Y CA -0.816 57.426 58.100 0.236 0.000 1.240 267 Y CB 0.888 39.495 38.460 0.244 0.000 1.118 267 Y HN 0.294 nan 8.280 nan 0.000 0.484 268 L N 5.207 126.748 121.223 0.530 0.000 2.295 268 L HA 0.612 4.952 4.340 -0.001 0.000 0.285 268 L C -0.475 176.761 176.870 0.609 0.000 1.035 268 L CA -0.446 54.759 54.840 0.609 0.000 0.806 268 L CB 1.362 43.749 42.059 0.547 0.000 1.214 268 L HN 0.523 nan 8.230 nan 0.000 0.426 269 I N 3.199 124.028 120.570 0.432 0.000 2.436 269 I HA 0.380 4.549 4.170 -0.001 0.000 0.289 269 I C 0.041 175.903 176.117 -0.425 0.000 1.010 269 I CA -0.681 60.654 61.300 0.059 0.000 1.098 269 I CB 1.994 39.987 38.000 -0.010 0.000 1.266 269 I HN 0.604 nan 8.210 nan 0.000 0.434 270 R N 7.957 127.997 120.500 -0.767 0.000 2.537 270 R HA 0.180 4.520 4.340 -0.001 0.000 0.280 270 R C -1.981 173.836 176.300 -0.806 0.000 1.058 270 R CA -1.084 54.165 56.100 -1.417 0.000 1.057 270 R CB 0.726 30.570 30.300 -0.761 0.000 0.973 270 R HN 0.283 nan 8.270 nan 0.000 0.438 271 P HA 0.018 nan 4.420 nan 0.000 0.225 271 P C -0.386 176.752 177.300 -0.270 0.000 1.768 271 P CA -0.130 62.705 63.100 -0.441 0.000 0.943 271 P CB -0.154 31.307 31.700 -0.398 0.000 1.936 272 T N -1.819 112.600 114.554 -0.226 0.000 2.788 272 T HA 0.146 4.495 4.350 -0.001 0.000 0.287 272 T C 1.498 176.147 174.700 -0.086 0.000 1.007 272 T CA -0.460 61.560 62.100 -0.134 0.000 1.005 272 T CB 0.542 69.344 68.868 -0.111 0.000 1.012 272 T HN -0.036 nan 8.240 nan 0.000 0.530 273 N N 0.808 119.475 118.700 -0.055 0.000 2.149 273 N HA -0.104 4.636 4.740 -0.001 0.000 0.188 273 N C 2.197 177.700 175.510 -0.011 0.000 1.019 273 N CA 1.490 54.524 53.050 -0.027 0.000 0.857 273 N CB -0.993 37.482 38.487 -0.019 0.000 0.997 273 N HN 0.823 nan 8.380 nan 0.000 0.426 274 A N 1.675 124.482 122.820 -0.022 0.000 1.877 274 A HA -0.121 4.199 4.320 -0.001 0.000 0.216 274 A C 2.032 179.624 177.584 0.012 0.000 1.186 274 A CA 1.367 53.398 52.037 -0.011 0.000 0.620 274 A CB -0.443 18.537 19.000 -0.033 0.000 0.822 274 A HN 0.227 nan 8.150 nan 0.000 0.443 275 N N 0.143 118.837 118.700 -0.010 0.000 2.244 275 N HA -0.048 4.691 4.740 -0.001 0.000 0.183 275 N C 1.607 177.204 175.510 0.145 0.000 1.016 275 N CA 1.049 54.128 53.050 0.048 0.000 0.866 275 N CB -0.474 37.983 38.487 -0.051 0.000 0.980 275 N HN 0.499 nan 8.380 nan 0.000 0.430 276 L N 0.365 121.625 121.223 0.061 0.000 2.093 276 L HA -0.107 4.233 4.340 -0.001 0.000 0.208 276 L C 2.036 179.003 176.870 0.162 0.000 1.085 276 L CA 1.062 55.960 54.840 0.098 0.000 0.755 276 L CB -0.632 41.443 42.059 0.026 0.000 0.904 276 L HN 0.155 nan 8.230 nan 0.000 0.435 277 T N 0.202 114.822 114.554 0.110 0.000 2.777 277 T HA -0.123 4.226 4.350 -0.001 0.000 0.266 277 T C 1.986 176.771 174.700 0.142 0.000 1.040 277 T CA 1.060 63.220 62.100 0.100 0.000 1.141 277 T CB -0.192 68.712 68.868 0.061 0.000 0.868 277 T HN 0.167 nan 8.240 nan 0.000 0.444 278 L N -0.000 121.336 121.223 0.189 0.000 2.046 278 L HA -0.061 4.278 4.340 -0.001 0.000 0.208 278 L C 2.264 179.382 176.870 0.414 0.000 1.077 278 L CA 1.331 56.343 54.840 0.286 0.000 0.747 278 L CB -0.548 41.669 42.059 0.263 0.000 0.896 278 L HN 0.213 nan 8.230 nan 0.000 0.432 279 F N 0.995 121.041 119.950 0.161 0.000 2.102 279 F HA -0.243 4.283 4.527 -0.002 0.000 0.298 279 F C 2.557 178.349 175.800 -0.012 0.000 1.105 279 F CA 1.992 59.853 58.000 -0.230 0.000 1.239 279 F CB -0.199 38.630 39.000 -0.285 0.000 0.991 279 F HN 0.072 nan 8.300 nan 0.000 0.474 280 E N -0.605 119.581 120.200 -0.023 0.000 2.110 280 E HA -0.229 4.120 4.350 -0.001 0.000 0.193 280 E C 2.293 178.825 176.600 -0.112 0.000 0.988 280 E CA 1.711 58.041 56.400 -0.116 0.000 0.804 280 E CB -0.376 29.337 29.700 0.022 0.000 0.745 280 E HN 0.516 nan 8.360 nan 0.000 0.458 281 C N -0.062 119.237 119.300 -0.002 0.000 2.446 281 C HA -0.108 4.351 4.460 -0.001 0.000 0.277 281 C C 2.206 177.210 174.990 0.023 0.000 1.275 281 C CA 0.620 59.652 59.018 0.023 0.000 1.727 281 C CB -1.442 26.346 27.740 0.080 0.000 2.010 281 C HN 0.729 nan 8.230 nan 0.000 0.486 282 W N 1.877 123.087 121.300 -0.151 0.000 2.388 282 W HA -0.108 4.551 4.660 -0.001 0.000 0.294 282 W C 2.297 178.653 176.519 -0.272 0.000 1.212 282 W CA 1.646 58.896 57.345 -0.159 0.000 1.271 282 W CB -0.376 28.996 29.460 -0.147 0.000 1.126 282 W HN 0.145 nan 8.180 nan 0.000 0.535 283 S N -0.351 115.029 115.700 -0.533 0.000 2.481 283 S HA -0.123 4.347 4.470 -0.001 0.000 0.231 283 S C 1.587 175.924 174.600 -0.438 0.000 0.996 283 S CA 1.238 59.006 58.200 -0.719 0.000 0.942 283 S CB -0.460 62.298 63.200 -0.736 0.000 0.768 283 S HN 0.370 nan 8.310 nan 0.000 0.520 284 S N 0.728 116.256 115.700 -0.286 0.000 2.663 284 S HA 0.256 4.725 4.470 -0.001 0.000 0.243 284 S C 0.498 175.016 174.600 -0.137 0.000 1.009 284 S CA -0.505 57.597 58.200 -0.163 0.000 0.988 284 S CB 0.032 63.174 63.200 -0.096 0.000 0.896 284 S HN 0.342 nan 8.310 nan 0.000 0.502 285 S N 0.775 116.364 115.700 -0.184 0.000 2.652 285 S HA 0.505 4.975 4.470 -0.001 0.000 0.270 285 S C 0.736 175.269 174.600 -0.112 0.000 1.243 285 S CA -0.400 57.730 58.200 -0.116 0.000 0.999 285 S CB 1.278 64.428 63.200 -0.083 0.000 0.973 285 S HN 0.143 nan 8.310 nan 0.000 0.544 286 S N 0.737 116.401 115.700 -0.059 0.000 2.548 286 S HA 0.152 4.621 4.470 -0.001 0.000 0.215 286 S C 1.226 175.811 174.600 -0.024 0.000 0.976 286 S CA -0.253 57.925 58.200 -0.038 0.000 0.908 286 S CB -0.395 62.794 63.200 -0.018 0.000 0.781 286 S HN 0.717 nan 8.310 nan 0.000 0.519 287 N N 1.321 120.008 118.700 -0.022 0.000 2.356 287 N HA 0.034 4.773 4.740 -0.001 0.000 0.178 287 N C 1.621 177.137 175.510 0.010 0.000 1.075 287 N CA 0.049 53.109 53.050 0.017 0.000 0.889 287 N CB -0.026 38.497 38.487 0.061 0.000 0.999 287 N HN 0.460 nan 8.380 nan 0.000 0.464 288 Q N 1.388 121.116 119.800 -0.121 0.000 2.208 288 Q HA -0.241 4.098 4.340 -0.001 0.000 0.219 288 Q C 0.795 176.777 176.000 -0.029 0.000 1.027 288 Q CA 1.863 57.482 55.803 -0.307 0.000 0.925 288 Q CB -0.081 28.270 28.738 -0.645 0.000 1.006 288 Q HN 0.304 nan 8.270 nan 0.000 0.415 289 N N -0.275 118.414 118.700 -0.019 0.000 2.521 289 N HA -0.053 4.686 4.740 -0.001 0.000 0.188 289 N C 0.267 175.824 175.510 0.079 0.000 1.146 289 N CA 0.795 53.865 53.050 0.033 0.000 0.893 289 N CB 0.256 38.734 38.487 -0.014 0.000 0.975 289 N HN 0.458 nan 8.380 nan 0.000 0.451 290 E N 0.192 120.465 120.200 0.121 0.000 2.498 290 E HA 0.163 4.513 4.350 -0.001 0.000 0.203 290 E C 0.261 176.993 176.600 0.220 0.000 1.013 290 E CA 0.045 56.529 56.400 0.139 0.000 0.927 290 E CB 0.448 30.205 29.700 0.095 0.000 1.012 290 E HN 0.345 nan 8.360 nan 0.000 0.482 291 M N -0.741 119.054 119.600 0.326 0.000 2.386 291 M HA 0.422 4.901 4.480 -0.001 0.000 0.293 291 M C -1.044 175.575 176.300 0.532 0.000 1.120 291 M CA -0.996 54.536 55.300 0.387 0.000 0.909 291 M CB 1.702 34.503 32.600 0.335 0.000 1.661 291 M HN -0.228 nan 8.290 nan 0.000 0.452 292 F N 3.172 123.299 119.950 0.295 0.000 2.438 292 F HA 0.278 4.804 4.527 -0.001 0.000 0.360 292 F C 0.467 176.292 175.800 0.041 0.000 1.118 292 F CA -0.727 57.460 58.000 0.312 0.000 1.164 292 F CB 0.679 39.826 39.000 0.244 0.000 1.131 292 F HN 0.706 nan 8.300 nan 0.000 0.527 293 F N 4.829 124.316 119.950 -0.771 0.000 2.269 293 F HA 0.009 4.535 4.527 -0.001 0.000 0.301 293 F C 2.027 177.104 175.800 -1.206 0.000 1.082 293 F CA 1.742 58.979 58.000 -1.271 0.000 1.360 293 F CB -0.595 37.186 39.000 -2.032 0.000 1.041 293 F HN 0.546 nan 8.300 nan 0.000 0.512 294 G N -0.299 107.508 108.800 -1.655 0.000 2.462 294 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.220 294 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.220 294 G C 1.293 175.893 174.900 -0.501 0.000 1.121 294 G CA 1.032 45.505 45.100 -1.044 0.000 0.758 294 G HN 0.330 nan 8.290 nan 0.000 0.559 295 D N 0.059 120.285 120.400 -0.290 0.000 2.348 295 D HA -0.008 4.631 4.640 -0.001 0.000 0.216 295 D C 2.381 178.503 176.300 -0.297 0.000 0.970 295 D CA 0.497 54.393 54.000 -0.172 0.000 0.889 295 D CB 0.073 40.863 40.800 -0.016 0.000 0.912 295 D HN 0.426 nan 8.370 nan 0.000 0.524 296 Q N 0.160 119.649 119.800 -0.519 0.000 2.408 296 Q HA 0.075 4.414 4.340 -0.001 0.000 0.205 296 Q C 0.827 176.530 176.000 -0.495 0.000 0.919 296 Q CA 0.087 55.596 55.803 -0.490 0.000 0.932 296 Q CB 1.106 29.492 28.738 -0.587 0.000 1.058 296 Q HN 0.197 nan 8.270 nan 0.000 0.517 297 V N -2.615 116.958 119.914 -0.569 0.000 3.093 297 V HA 0.278 4.397 4.120 -0.001 0.000 0.320 297 V C 0.531 176.452 176.094 -0.289 0.000 1.093 297 V CA -0.603 61.441 62.300 -0.426 0.000 1.016 297 V CB 1.674 33.205 31.823 -0.487 0.000 1.096 297 V HN -0.121 nan 8.190 nan 0.000 0.452 298 D N 0.264 120.532 120.400 -0.221 0.000 2.123 298 D HA 0.015 4.655 4.640 -0.001 0.000 0.200 298 D C 0.458 176.642 176.300 -0.193 0.000 0.976 298 D CA 1.347 55.245 54.000 -0.170 0.000 0.831 298 D CB 0.261 40.989 40.800 -0.120 0.000 0.974 298 D HN 0.522 nan 8.370 nan 0.000 0.469 299 K N 0.040 120.291 120.400 -0.248 0.000 2.463 299 K HA 0.323 4.642 4.320 -0.001 0.000 0.255 299 K C -1.420 174.910 176.600 -0.449 0.000 0.942 299 K CA -0.619 55.431 56.287 -0.395 0.000 0.814 299 K CB 1.546 33.761 32.500 -0.475 0.000 1.122 299 K HN -0.001 nan 8.250 nan 0.000 0.425 300 C N 5.222 124.319 119.300 -0.337 0.000 2.356 300 C HA 0.515 4.974 4.460 -0.001 0.000 0.324 300 C C -0.899 174.153 174.990 0.104 0.000 1.167 300 C CA -0.742 58.259 59.018 -0.028 0.000 1.420 300 C CB -0.937 26.919 27.740 0.192 0.000 2.036 300 C HN 0.707 nan 8.230 nan 0.000 0.435 301 Y N 3.865 124.382 120.300 0.362 0.000 2.336 301 Y HA 0.373 4.922 4.550 -0.001 0.000 0.335 301 Y C 0.643 176.685 175.900 0.238 0.000 1.046 301 Y CA -0.013 58.266 58.100 0.298 0.000 1.198 301 Y CB 0.696 39.301 38.460 0.242 0.000 1.182 301 Y HN 0.562 nan 8.280 nan 0.000 0.502 302 K N 3.584 124.170 120.400 0.310 0.000 2.248 302 K HA 0.505 4.824 4.320 -0.001 0.000 0.281 302 K C -1.360 175.244 176.600 0.007 0.000 1.054 302 K CA -0.398 55.898 56.287 0.016 0.000 0.903 302 K CB 0.482 32.969 32.500 -0.021 0.000 1.077 302 K HN 0.821 nan 8.250 nan 0.000 0.474 303 C N 4.017 123.267 119.300 -0.082 0.000 2.364 303 C HA 0.440 4.899 4.460 -0.001 0.000 0.324 303 C C -0.212 174.750 174.990 -0.047 0.000 1.234 303 C CA -0.494 58.499 59.018 -0.042 0.000 1.417 303 C CB 0.610 28.323 27.740 -0.045 0.000 2.101 303 C HN 0.907 nan 8.230 nan 0.000 0.466 304 S N 4.405 120.086 115.700 -0.032 0.000 2.499 304 S HA 0.714 5.183 4.470 -0.001 0.000 0.279 304 S C -0.704 173.901 174.600 0.008 0.000 1.219 304 S CA -0.348 57.844 58.200 -0.014 0.000 1.062 304 S CB 0.727 63.920 63.200 -0.011 0.000 0.978 304 S HN 0.777 nan 8.310 nan 0.000 0.489 305 V N 6.696 126.636 119.914 0.044 0.000 2.376 305 V HA 0.430 4.550 4.120 -0.001 0.000 0.287 305 V C 0.024 176.146 176.094 0.047 0.000 1.015 305 V CA -0.756 61.568 62.300 0.039 0.000 0.834 305 V CB 1.178 33.039 31.823 0.063 0.000 1.001 305 V HN 0.869 nan 8.190 nan 0.000 0.428 306 K N 2.139 122.552 120.400 0.023 0.000 2.177 306 K HA 0.485 4.805 4.320 -0.001 0.000 0.238 306 K C 0.035 176.635 176.600 0.000 0.000 1.015 306 K CA -0.901 55.399 56.287 0.021 0.000 0.922 306 K CB 1.254 33.765 32.500 0.019 0.000 1.127 306 K HN 0.639 nan 8.250 nan 0.000 0.469 307 Q N 0.180 119.984 119.800 0.007 0.000 2.308 307 Q HA -0.098 4.241 4.340 -0.001 0.000 0.313 307 Q C 0.602 176.590 176.000 -0.020 0.000 1.075 307 Q CA 1.571 57.370 55.803 -0.006 0.000 0.995 307 Q CB -0.094 28.662 28.738 0.031 0.000 1.107 307 Q HN 0.845 nan 8.270 nan 0.000 0.380 308 G N 2.668 111.417 108.800 -0.086 0.000 2.205 308 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.261 308 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.261 308 G C -0.165 174.761 174.900 0.044 0.000 0.980 308 G CA 0.407 45.520 45.100 0.022 0.000 0.632 308 G HN 0.630 nan 8.290 nan 0.000 0.533 309 Q N 0.394 120.157 119.800 -0.062 0.000 2.227 309 Q HA 0.615 4.954 4.340 -0.001 0.000 0.245 309 Q C -0.676 175.345 176.000 0.035 0.000 0.926 309 Q CA 0.000 55.815 55.803 0.020 0.000 0.895 309 Q CB 1.487 30.231 28.738 0.010 0.000 1.230 309 Q HN 0.212 nan 8.270 nan 0.000 0.450 310 T N 1.894 116.527 114.554 0.132 0.000 2.840 310 T HA 0.424 4.773 4.350 -0.001 0.000 0.287 310 T C -1.070 173.610 174.700 -0.033 0.000 0.991 310 T CA -0.629 61.540 62.100 0.115 0.000 0.964 310 T CB 0.886 69.882 68.868 0.214 0.000 0.954 310 T HN 0.329 nan 8.240 nan 0.000 0.438 311 L N 3.511 124.631 121.223 -0.171 0.000 2.309 311 L HA 0.762 5.102 4.340 -0.001 0.000 0.282 311 L C -1.663 174.991 176.870 -0.361 0.000 1.036 311 L CA -0.541 54.155 54.840 -0.240 0.000 0.806 311 L CB 0.460 42.232 42.059 -0.478 0.000 1.220 311 L HN 0.550 nan 8.230 nan 0.000 0.429 312 F N 5.722 125.666 119.950 -0.010 0.000 2.460 312 F HA 0.517 5.043 4.527 -0.001 0.000 0.341 312 F C -0.132 175.708 175.800 0.068 0.000 1.130 312 F CA -0.453 57.632 58.000 0.141 0.000 0.962 312 F CB 1.233 40.333 39.000 0.167 0.000 1.171 312 F HN 0.230 nan 8.300 nan 0.000 0.436 313 I N 5.724 126.353 120.570 0.099 0.000 2.321 313 I HA 0.336 4.506 4.170 -0.001 0.000 0.291 313 I C -2.300 173.675 176.117 -0.237 0.000 0.998 313 I CA -2.109 59.078 61.300 -0.189 0.000 1.227 313 I CB 1.410 39.189 38.000 -0.368 0.000 1.368 313 I HN 0.285 nan 8.210 nan 0.000 0.466 314 P HA 0.103 nan 4.420 nan 0.000 0.274 314 P C -0.466 176.626 177.300 -0.347 0.000 1.256 314 P CA -0.393 62.123 63.100 -0.973 0.000 0.795 314 P CB 0.302 31.360 31.700 -1.070 0.000 1.038 315 T N 1.073 115.437 114.554 -0.317 0.000 2.905 315 T HA 0.256 4.605 4.350 -0.001 0.000 0.299 315 T C 1.498 176.186 174.700 -0.020 0.000 1.024 315 T CA 1.470 63.466 62.100 -0.173 0.000 1.151 315 T CB -0.750 67.986 68.868 -0.220 0.000 0.987 315 T HN 0.849 nan 8.240 nan 0.000 0.535 316 G N 2.291 111.063 108.800 -0.048 0.000 2.245 316 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.264 316 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.264 316 G C 0.085 174.941 174.900 -0.073 0.000 0.985 316 G CA -0.195 44.861 45.100 -0.072 0.000 0.625 316 G HN 0.727 nan 8.290 nan 0.000 0.536 317 W N 1.259 122.474 121.300 -0.142 0.000 2.397 317 W HA 0.556 5.215 4.660 -0.002 0.000 0.327 317 W C 1.086 177.594 176.519 -0.017 0.000 1.421 317 W CA -0.351 56.946 57.345 -0.080 0.000 1.288 317 W CB 0.107 29.517 29.460 -0.084 0.000 1.312 317 W HN 0.161 nan 8.180 nan 0.000 0.559 318 I N 6.780 127.349 120.570 -0.000 0.000 2.471 318 I HA 0.095 4.265 4.170 -0.001 0.000 0.286 318 I C 0.560 176.821 176.117 0.240 0.000 1.079 318 I CA 0.018 61.255 61.300 -0.106 0.000 1.398 318 I CB 0.234 38.072 38.000 -0.270 0.000 1.403 318 I HN 0.397 nan 8.210 nan 0.000 0.530 319 H N 4.644 123.714 119.070 0.000 0.000 3.046 319 H HA 0.828 5.383 4.556 -0.001 0.000 0.361 319 H C -1.711 173.507 175.328 -0.183 0.000 1.235 319 H CA -1.237 54.873 56.048 0.104 0.000 1.146 319 H CB 1.259 31.082 29.762 0.101 0.000 1.859 319 H HN 0.587 nan 8.280 nan 0.000 0.548 320 A N 1.344 124.011 122.820 -0.255 0.000 2.350 320 A HA 0.726 5.045 4.320 -0.001 0.000 0.318 320 A C -0.983 176.503 177.584 -0.162 0.000 1.132 320 A CA -0.664 51.056 52.037 -0.529 0.000 0.811 320 A CB 1.844 20.093 19.000 -1.252 0.000 1.313 320 A HN 0.434 nan 8.150 nan 0.000 0.454 321 V N 1.056 120.790 119.914 -0.301 0.000 2.668 321 V HA 0.476 4.595 4.120 -0.001 0.000 0.304 321 V C -1.153 174.858 176.094 -0.139 0.000 1.071 321 V CA -0.375 61.698 62.300 -0.378 0.000 0.894 321 V CB 1.377 32.829 31.823 -0.617 0.000 1.008 321 V HN 0.872 nan 8.190 nan 0.000 0.425 322 L N 4.102 125.334 121.223 0.016 0.000 2.329 322 L HA 0.800 5.139 4.340 -0.001 0.000 0.279 322 L C 0.161 177.039 176.870 0.013 0.000 1.014 322 L CA 0.484 55.442 54.840 0.196 0.000 0.814 322 L CB 2.212 44.485 42.059 0.358 0.000 1.257 322 L HN 0.717 nan 8.230 nan 0.000 0.424 323 T N 6.928 121.520 114.554 0.063 0.000 2.853 323 T HA 0.345 4.695 4.350 -0.001 0.000 0.317 323 T C -1.998 172.740 174.700 0.064 0.000 1.059 323 T CA -0.846 61.280 62.100 0.042 0.000 0.954 323 T CB 1.010 69.919 68.868 0.069 0.000 0.994 323 T HN 0.557 nan 8.240 nan 0.000 0.479 324 P HA 0.001 nan 4.420 nan 0.000 0.225 324 P C 0.366 177.691 177.300 0.042 0.000 1.156 324 P CA 0.634 63.761 63.100 0.044 0.000 0.787 324 P CB 0.156 31.875 31.700 0.031 0.000 0.802 325 V N -4.726 115.215 119.914 0.046 0.000 3.188 325 V HA 0.498 4.617 4.120 -0.001 0.000 0.305 325 V C -1.151 174.980 176.094 0.062 0.000 1.232 325 V CA -1.378 60.948 62.300 0.043 0.000 1.043 325 V CB 1.365 33.210 31.823 0.037 0.000 1.068 325 V HN -0.345 nan 8.190 nan 0.000 0.439 326 D N 0.964 121.395 120.400 0.052 0.000 2.571 326 D HA 0.321 4.960 4.640 -0.001 0.000 0.231 326 D C -0.228 176.153 176.300 0.136 0.000 1.133 326 D CA 0.782 54.842 54.000 0.099 0.000 0.862 326 D CB 0.705 41.529 40.800 0.040 0.000 1.179 326 D HN 1.064 nan 8.370 nan 0.000 0.474 327 C N 3.423 122.828 119.300 0.176 0.000 2.880 327 C HA 0.675 5.134 4.460 -0.001 0.000 0.320 327 C C -1.717 173.332 174.990 0.098 0.000 1.176 327 C CA -0.839 58.257 59.018 0.131 0.000 1.390 327 C CB 0.802 28.609 27.740 0.112 0.000 1.846 327 C HN 0.536 nan 8.230 nan 0.000 0.478 328 L N 5.374 126.634 121.223 0.063 0.000 2.356 328 L HA 0.957 5.296 4.340 -0.001 0.000 0.277 328 L C -0.201 176.643 176.870 -0.042 0.000 0.996 328 L CA 0.112 54.938 54.840 -0.022 0.000 0.822 328 L CB 1.319 43.396 42.059 0.029 0.000 1.256 328 L HN 1.137 nan 8.230 nan 0.000 0.413 329 A N 3.634 126.324 122.820 -0.216 0.000 2.594 329 A HA 0.858 5.178 4.320 -0.001 0.000 0.291 329 A C -1.835 175.435 177.584 -0.523 0.000 1.105 329 A CA -0.441 51.466 52.037 -0.216 0.000 0.694 329 A CB 1.033 19.912 19.000 -0.202 0.000 1.291 329 A HN 0.505 nan 8.150 nan 0.000 0.410 330 F N -0.254 119.599 119.950 -0.162 0.000 2.563 330 F HA 0.799 5.325 4.527 -0.002 0.000 0.316 330 F C 0.803 176.184 175.800 -0.699 0.000 1.076 330 F CA 0.346 58.250 58.000 -0.160 0.000 0.921 330 F CB 2.916 42.015 39.000 0.166 0.000 1.209 330 F HN 1.031 nan 8.300 nan 0.000 0.462 331 G N -0.151 108.169 108.800 -0.801 0.000 2.506 331 G HA2 0.619 4.579 3.960 -0.001 0.000 0.292 331 G HA3 0.619 4.579 3.960 -0.001 0.000 0.292 331 G C -1.482 172.773 174.900 -1.074 0.000 1.425 331 G CA -0.224 43.870 45.100 -1.676 0.000 0.788 331 G HN 1.008 nan 8.290 nan 0.000 0.490 332 G N -0.978 107.127 108.800 -1.158 0.000 2.600 332 G HA2 0.591 4.550 3.960 -0.001 0.000 0.293 332 G HA3 0.591 4.550 3.960 -0.001 0.000 0.293 332 G C -1.861 173.161 174.900 0.202 0.000 1.408 332 G CA -0.783 44.305 45.100 -0.020 0.000 0.782 332 G HN 0.736 nan 8.290 nan 0.000 0.482 333 N N -1.085 117.885 118.700 0.450 0.000 2.292 333 N HA 0.842 5.582 4.740 -0.001 0.000 0.303 333 N C -1.102 174.805 175.510 0.661 0.000 1.140 333 N CA -0.583 52.702 53.050 0.392 0.000 0.788 333 N CB 2.232 40.789 38.487 0.117 0.000 1.361 333 N HN 0.683 nan 8.380 nan 0.000 0.489 334 F N -1.383 118.759 119.950 0.320 0.000 2.665 334 F HA 0.593 5.119 4.527 -0.002 0.000 0.308 334 F C -1.888 173.984 175.800 0.121 0.000 1.112 334 F CA -1.215 56.966 58.000 0.302 0.000 0.972 334 F CB 1.027 40.211 39.000 0.307 0.000 1.295 334 F HN 0.106 nan 8.300 nan 0.000 0.440 335 L N 2.974 124.210 121.223 0.021 0.000 2.360 335 L HA 0.747 5.086 4.340 -0.001 0.000 0.271 335 L C -0.503 175.960 176.870 -0.680 0.000 1.057 335 L CA -0.735 53.755 54.840 -0.584 0.000 0.803 335 L CB 1.770 43.322 42.059 -0.844 0.000 1.207 335 L HN 1.008 nan 8.230 nan 0.000 0.445 336 H N -2.081 116.375 119.070 -1.023 0.000 2.918 336 H HA 0.368 4.923 4.556 -0.001 0.000 0.303 336 H C -0.582 174.564 175.328 -0.304 0.000 1.380 336 H CA -0.887 54.803 56.048 -0.597 0.000 1.134 336 H CB 0.984 30.760 29.762 0.024 0.000 1.842 336 H HN 0.247 nan 8.280 nan 0.000 0.533 337 S N 0.106 116.111 115.700 0.508 0.000 2.575 337 S HA 0.060 4.530 4.470 -0.001 0.000 0.215 337 S C 1.140 176.040 174.600 0.500 0.000 0.966 337 S CA -0.072 58.491 58.200 0.604 0.000 0.911 337 S CB -0.136 63.490 63.200 0.711 0.000 0.780 337 S HN 0.419 nan 8.310 nan 0.000 0.514 338 L N 1.775 123.281 121.223 0.472 0.000 2.217 338 L HA 0.165 4.504 4.340 -0.001 0.000 0.211 338 L C 0.582 177.552 176.870 0.167 0.000 1.107 338 L CA 1.217 56.124 54.840 0.112 0.000 0.783 338 L CB -0.268 41.804 42.059 0.022 0.000 0.919 338 L HN 0.213 nan 8.230 nan 0.000 0.442 339 N N -1.187 117.589 118.700 0.127 0.000 2.664 339 N HA 0.245 4.984 4.740 -0.001 0.000 0.287 339 N C 1.044 176.547 175.510 -0.012 0.000 1.869 339 N CA 0.034 53.114 53.050 0.050 0.000 0.832 339 N CB 0.761 39.245 38.487 -0.006 0.000 1.293 339 N HN 0.100 nan 8.380 nan 0.000 0.498 340 I N 0.303 120.923 120.570 0.084 0.000 2.264 340 I HA -0.265 3.904 4.170 -0.001 0.000 0.248 340 I C 2.412 178.569 176.117 0.067 0.000 1.111 340 I CA 1.367 62.724 61.300 0.094 0.000 1.382 340 I CB 0.154 38.286 38.000 0.220 0.000 1.060 340 I HN 0.362 nan 8.210 nan 0.000 0.418 341 E N 0.816 121.054 120.200 0.063 0.000 2.077 341 E HA -0.293 4.056 4.350 -0.001 0.000 0.193 341 E C 2.200 178.820 176.600 0.034 0.000 0.989 341 E CA 1.384 57.810 56.400 0.043 0.000 0.800 341 E CB -0.019 29.703 29.700 0.037 0.000 0.746 341 E HN 0.250 nan 8.360 nan 0.000 0.452 342 M N 0.866 120.470 119.600 0.008 0.000 2.175 342 M HA -0.163 4.317 4.480 -0.001 0.000 0.264 342 M C 1.841 178.138 176.300 -0.006 0.000 1.063 342 M CA 1.670 56.961 55.300 -0.014 0.000 1.119 342 M CB -0.020 32.553 32.600 -0.045 0.000 1.377 342 M HN 0.069 nan 8.290 nan 0.000 0.415 343 Q N -0.421 119.370 119.800 -0.014 0.000 2.084 343 Q HA -0.156 4.183 4.340 -0.001 0.000 0.202 343 Q C 2.108 178.215 176.000 0.177 0.000 0.978 343 Q CA 1.777 57.599 55.803 0.032 0.000 0.844 343 Q CB -0.399 28.327 28.738 -0.020 0.000 0.898 343 Q HN 0.505 nan 8.270 nan 0.000 0.426 344 L N 0.612 121.972 121.223 0.229 0.000 2.083 344 L HA -0.203 4.136 4.340 -0.001 0.000 0.209 344 L C 2.330 179.331 176.870 0.219 0.000 1.083 344 L CA 1.178 56.202 54.840 0.306 0.000 0.752 344 L CB -0.332 41.850 42.059 0.205 0.000 0.899 344 L HN 0.159 nan 8.230 nan 0.000 0.433 345 K N 0.062 120.534 120.400 0.119 0.000 2.057 345 K HA -0.136 4.183 4.320 -0.001 0.000 0.207 345 K C 2.276 178.921 176.600 0.076 0.000 1.049 345 K CA 1.339 57.675 56.287 0.082 0.000 0.931 345 K CB -0.253 32.270 32.500 0.038 0.000 0.714 345 K HN 0.275 nan 8.250 nan 0.000 0.440 346 A N 0.823 123.678 122.820 0.058 0.000 1.908 346 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 346 A C 2.053 179.673 177.584 0.060 0.000 1.181 346 A CA 1.385 53.448 52.037 0.042 0.000 0.627 346 A CB -0.784 18.220 19.000 0.007 0.000 0.818 346 A HN 0.399 nan 8.150 nan 0.000 0.445 347 Y N 0.917 121.139 120.300 -0.130 0.000 2.165 347 Y HA -0.186 4.363 4.550 -0.002 0.000 0.286 347 Y C 2.285 178.156 175.900 -0.049 0.000 1.155 347 Y CA 2.042 60.008 58.100 -0.224 0.000 1.164 347 Y CB -0.126 38.093 38.460 -0.402 0.000 0.978 347 Y HN 0.343 nan 8.280 nan 0.000 0.513 348 E N 0.140 120.341 120.200 0.001 0.000 2.106 348 E HA -0.156 4.193 4.350 -0.001 0.000 0.192 348 E C 2.438 179.011 176.600 -0.046 0.000 0.984 348 E CA 1.343 57.716 56.400 -0.046 0.000 0.806 348 E CB -0.415 29.319 29.700 0.057 0.000 0.750 348 E HN 0.579 nan 8.360 nan 0.000 0.458 349 I N 1.208 121.781 120.570 0.004 0.000 2.226 349 I HA -0.262 3.907 4.170 -0.001 0.000 0.245 349 I C 2.185 178.302 176.117 -0.001 0.000 1.100 349 I CA 1.155 62.473 61.300 0.031 0.000 1.374 349 I CB -0.232 37.830 38.000 0.103 0.000 1.057 349 I HN 0.093 nan 8.210 nan 0.000 0.413 350 E N 0.841 121.027 120.200 -0.024 0.000 2.077 350 E HA -0.246 4.103 4.350 -0.001 0.000 0.193 350 E C 2.175 178.719 176.600 -0.094 0.000 0.989 350 E CA 1.160 57.537 56.400 -0.040 0.000 0.800 350 E CB -0.075 29.609 29.700 -0.027 0.000 0.746 350 E HN 0.415 nan 8.360 nan 0.000 0.452 351 K N 0.686 120.984 120.400 -0.170 0.000 2.002 351 K HA -0.105 4.214 4.320 -0.001 0.000 0.209 351 K C 2.213 178.771 176.600 -0.070 0.000 1.048 351 K CA 1.074 57.268 56.287 -0.154 0.000 0.930 351 K CB -0.079 32.294 32.500 -0.211 0.000 0.714 351 K HN 0.010 nan 8.250 nan 0.000 0.438 352 R N 0.554 121.026 120.500 -0.047 0.000 2.152 352 R HA -0.065 4.274 4.340 -0.001 0.000 0.232 352 R C 1.830 178.128 176.300 -0.004 0.000 1.117 352 R CA 0.828 56.920 56.100 -0.013 0.000 0.981 352 R CB -0.149 30.149 30.300 -0.003 0.000 0.870 352 R HN 0.209 nan 8.270 nan 0.000 0.451 353 L N 0.540 121.750 121.223 -0.022 0.000 2.611 353 L HA 0.107 4.447 4.340 -0.001 0.000 0.229 353 L C 0.082 176.935 176.870 -0.028 0.000 1.137 353 L CA -0.091 54.735 54.840 -0.022 0.000 0.901 353 L CB 0.193 42.215 42.059 -0.062 0.000 1.098 353 L HN 0.051 nan 8.230 nan 0.000 0.456 354 S N -0.070 115.611 115.700 -0.032 0.000 3.682 354 S HA -0.152 4.317 4.470 -0.001 0.000 0.354 354 S C 0.531 174.998 174.600 -0.221 0.000 1.034 354 S CA 0.528 58.680 58.200 -0.080 0.000 1.084 354 S CB -1.827 61.383 63.200 0.017 0.000 0.903 354 S HN 0.495 nan 8.310 nan 0.000 0.470 355 T N 2.465 116.927 114.554 -0.153 0.000 2.834 355 T HA 0.476 4.826 4.350 -0.001 0.000 0.298 355 T C 0.891 175.501 174.700 -0.150 0.000 0.966 355 T CA 0.344 62.361 62.100 -0.139 0.000 1.141 355 T CB 0.924 69.777 68.868 -0.025 0.000 0.905 355 T HN 0.734 nan 8.240 nan 0.000 0.535 356 A N 3.124 125.807 122.820 -0.228 0.000 2.466 356 A HA 0.123 4.442 4.320 -0.001 0.000 0.238 356 A C 1.477 179.009 177.584 -0.087 0.000 1.074 356 A CA -0.516 51.372 52.037 -0.248 0.000 0.774 356 A CB 0.131 18.890 19.000 -0.401 0.000 1.015 356 A HN 0.866 nan 8.150 nan 0.000 0.498 357 D N 0.842 121.197 120.400 -0.075 0.000 2.182 357 D HA -0.173 4.466 4.640 -0.001 0.000 0.201 357 D C 1.733 177.965 176.300 -0.114 0.000 0.986 357 D CA 1.883 55.853 54.000 -0.050 0.000 0.847 357 D CB -0.268 40.514 40.800 -0.030 0.000 0.942 357 D HN 0.588 nan 8.370 nan 0.000 0.467 358 L N -2.382 118.708 121.223 -0.222 0.000 2.549 358 L HA 0.014 4.353 4.340 -0.001 0.000 0.229 358 L C 1.016 177.581 176.870 -0.509 0.000 1.158 358 L CA 1.125 55.727 54.840 -0.396 0.000 0.842 358 L CB -0.913 40.847 42.059 -0.497 0.000 0.952 358 L HN -0.179 nan 8.230 nan 0.000 0.452 359 F N 0.577 120.491 119.950 -0.061 0.000 2.735 359 F HA 0.437 4.964 4.527 0.000 0.000 0.304 359 F C 0.807 176.640 175.800 0.055 0.000 1.119 359 F CA -0.766 57.227 58.000 -0.013 0.000 1.280 359 F CB 0.020 39.021 39.000 0.002 0.000 0.994 359 F HN -0.001 nan 8.300 nan 0.000 0.520 360 R N -0.725 119.850 120.500 0.124 0.000 2.854 360 R HA 0.358 4.698 4.340 -0.001 0.000 0.271 360 R C -1.125 175.256 176.300 0.135 0.000 0.994 360 R CA -1.075 55.149 56.100 0.207 0.000 0.945 360 R CB 1.913 32.318 30.300 0.175 0.000 1.194 360 R HN -0.021 nan 8.270 nan 0.000 0.476 361 F N 4.621 124.709 119.950 0.230 0.000 2.543 361 F HA 0.144 4.670 4.527 -0.001 0.000 0.375 361 F C -1.646 174.257 175.800 0.172 0.000 1.075 361 F CA -1.425 56.734 58.000 0.265 0.000 1.225 361 F CB 0.684 39.995 39.000 0.518 0.000 1.099 361 F HN 0.248 nan 8.300 nan 0.000 0.561 362 P HA -0.015 nan 4.420 nan 0.000 0.271 362 P C -0.892 176.506 177.300 0.165 0.000 1.226 362 P CA 0.130 63.194 63.100 -0.060 0.000 0.765 362 P CB 0.553 32.111 31.700 -0.237 0.000 0.835 363 N N 1.204 120.033 118.700 0.216 0.000 2.740 363 N HA -0.228 4.511 4.740 -0.001 0.000 0.248 363 N C 0.461 176.215 175.510 0.407 0.000 1.062 363 N CA 0.407 53.594 53.050 0.228 0.000 0.704 363 N CB -1.853 36.763 38.487 0.216 0.000 0.968 363 N HN 0.473 nan 8.380 nan 0.000 0.547 364 F N 1.158 121.286 119.950 0.296 0.000 2.095 364 F HA -0.173 4.353 4.527 -0.002 0.000 0.298 364 F C 2.169 177.980 175.800 0.019 0.000 1.104 364 F CA 1.990 60.095 58.000 0.174 0.000 1.232 364 F CB 0.066 39.030 39.000 -0.060 0.000 0.987 364 F HN 0.181 nan 8.300 nan 0.000 0.475 365 E N -0.668 119.516 120.200 -0.028 0.000 2.106 365 E HA -0.169 4.181 4.350 -0.001 0.000 0.192 365 E C 2.101 178.717 176.600 0.026 0.000 0.984 365 E CA 1.712 57.976 56.400 -0.227 0.000 0.806 365 E CB -0.276 29.153 29.700 -0.452 0.000 0.750 365 E HN 0.411 nan 8.360 nan 0.000 0.458 366 T N 1.403 116.009 114.554 0.086 0.000 2.708 366 T HA -0.172 4.178 4.350 -0.001 0.000 0.266 366 T C 1.915 176.697 174.700 0.138 0.000 1.037 366 T CA 0.998 63.144 62.100 0.076 0.000 1.146 366 T CB -0.214 68.572 68.868 -0.137 0.000 0.865 366 T HN 0.076 nan 8.240 nan 0.000 0.435 367 I N 0.797 121.572 120.570 0.342 0.000 2.394 367 I HA -0.087 4.082 4.170 -0.001 0.000 0.251 367 I C 2.279 178.432 176.117 0.060 0.000 1.136 367 I CA 0.557 62.113 61.300 0.426 0.000 1.425 367 I CB -0.568 37.783 38.000 0.585 0.000 1.079 367 I HN 0.275 nan 8.210 nan 0.000 0.425 368 C N -0.338 118.906 119.300 -0.093 0.000 2.429 368 C HA -0.184 4.275 4.460 -0.001 0.000 0.277 368 C C 2.489 177.494 174.990 0.026 0.000 1.262 368 C CA 0.763 59.651 59.018 -0.217 0.000 1.733 368 C CB -1.697 25.944 27.740 -0.165 0.000 2.010 368 C HN 0.711 nan 8.230 nan 0.000 0.483 369 W N -0.761 120.603 121.300 0.107 0.000 2.358 369 W HA -0.132 4.528 4.660 -0.000 0.000 0.303 369 W C 2.441 178.867 176.519 -0.156 0.000 1.208 369 W CA 0.895 58.170 57.345 -0.118 0.000 1.274 369 W CB -0.652 28.607 29.460 -0.334 0.000 1.138 369 W HN 0.313 nan 8.180 nan 0.000 0.515 370 Y N -0.470 119.915 120.300 0.142 0.000 2.200 370 Y HA -0.209 4.340 4.550 -0.002 0.000 0.290 370 Y C 2.355 178.240 175.900 -0.025 0.000 1.137 370 Y CA 0.963 59.078 58.100 0.024 0.000 1.163 370 Y CB -1.374 37.063 38.460 -0.039 0.000 0.988 370 Y HN -0.257 nan 8.280 nan 0.000 0.518 371 V N -0.474 119.419 119.914 -0.035 0.000 2.343 371 V HA -0.268 3.851 4.120 -0.001 0.000 0.247 371 V C 2.559 178.655 176.094 0.002 0.000 1.051 371 V CA 1.973 64.114 62.300 -0.265 0.000 1.036 371 V CB -1.406 29.792 31.823 -1.041 0.000 0.654 371 V HN 0.547 nan 8.190 nan 0.000 0.451 372 G N -0.455 108.432 108.800 0.146 0.000 2.476 372 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.218 372 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.218 372 G C 1.640 176.674 174.900 0.222 0.000 1.164 372 G CA 1.281 46.577 45.100 0.327 0.000 0.768 372 G HN 0.497 nan 8.290 nan 0.000 0.560 373 K N -0.408 120.103 120.400 0.184 0.000 2.032 373 K HA -0.190 4.130 4.320 -0.001 0.000 0.209 373 K C 2.204 178.902 176.600 0.162 0.000 1.048 373 K CA 1.492 57.869 56.287 0.149 0.000 0.927 373 K CB -0.424 32.165 32.500 0.149 0.000 0.712 373 K HN 0.517 nan 8.250 nan 0.000 0.441 374 H N 0.440 119.557 119.070 0.078 0.000 2.321 374 H HA -0.108 4.447 4.556 -0.001 0.000 0.300 374 H C 2.083 177.458 175.328 0.079 0.000 1.087 374 H CA 2.009 58.093 56.048 0.060 0.000 1.319 374 H CB 0.002 29.780 29.762 0.028 0.000 1.379 374 H HN 0.222 nan 8.280 nan 0.000 0.501 375 I N 0.694 121.293 120.570 0.049 0.000 2.335 375 I HA -0.274 3.895 4.170 -0.001 0.000 0.251 375 I C 2.674 178.898 176.117 0.179 0.000 1.129 375 I CA 0.534 61.872 61.300 0.064 0.000 1.402 375 I CB -0.196 37.918 38.000 0.191 0.000 1.069 375 I HN 0.241 nan 8.210 nan 0.000 0.424 376 L N 0.878 122.192 121.223 0.150 0.000 1.994 376 L HA -0.241 4.098 4.340 -0.001 0.000 0.208 376 L C 2.040 178.972 176.870 0.103 0.000 1.071 376 L CA 2.048 56.972 54.840 0.140 0.000 0.745 376 L CB -0.839 41.270 42.059 0.085 0.000 0.892 376 L HN 0.181 nan 8.230 nan 0.000 0.431 377 D N -0.255 120.162 120.400 0.029 0.000 2.149 377 D HA -0.212 4.427 4.640 -0.001 0.000 0.198 377 D C 2.353 178.626 176.300 -0.045 0.000 0.990 377 D CA 1.902 55.899 54.000 -0.006 0.000 0.839 377 D CB -0.101 40.690 40.800 -0.014 0.000 0.948 377 D HN 0.461 nan 8.370 nan 0.000 0.460 378 I N 0.138 120.627 120.570 -0.136 0.000 2.142 378 I HA -0.280 3.889 4.170 -0.001 0.000 0.240 378 I C 2.275 178.322 176.117 -0.116 0.000 1.078 378 I CA 0.857 62.047 61.300 -0.184 0.000 1.343 378 I CB -0.293 37.523 38.000 -0.308 0.000 1.046 378 I HN -0.118 nan 8.210 nan 0.000 0.405 379 F N 1.220 121.113 119.950 -0.094 0.000 2.065 379 F HA -0.241 4.285 4.527 -0.002 0.000 0.298 379 F C 2.787 178.550 175.800 -0.061 0.000 1.112 379 F CA 1.726 59.680 58.000 -0.077 0.000 1.212 379 F CB -0.493 38.464 39.000 -0.072 0.000 0.975 379 F HN -0.086 nan 8.300 nan 0.000 0.476 380 R N -0.410 120.180 120.500 0.151 0.000 2.081 380 R HA -0.113 4.226 4.340 -0.001 0.000 0.235 380 R C 2.553 178.873 176.300 0.032 0.000 1.131 380 R CA 1.198 57.340 56.100 0.070 0.000 0.960 380 R CB -1.254 29.073 30.300 0.045 0.000 0.856 380 R HN 0.417 nan 8.270 nan 0.000 0.436 381 G N 1.168 109.974 108.800 0.009 0.000 2.418 381 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.217 381 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.217 381 G C 1.456 176.346 174.900 -0.017 0.000 1.158 381 G CA 0.427 45.521 45.100 -0.011 0.000 0.771 381 G HN 0.125 nan 8.290 nan 0.000 0.545 382 L N -0.448 120.755 121.223 -0.034 0.000 2.093 382 L HA 0.038 4.377 4.340 -0.001 0.000 0.208 382 L C 2.920 179.790 176.870 -0.000 0.000 1.085 382 L CA 1.039 55.854 54.840 -0.041 0.000 0.755 382 L CB -0.312 41.687 42.059 -0.100 0.000 0.904 382 L HN 0.187 nan 8.230 nan 0.000 0.435 383 R N 0.488 121.002 120.500 0.023 0.000 2.092 383 R HA -0.169 4.170 4.340 -0.001 0.000 0.231 383 R C 2.406 178.717 176.300 0.019 0.000 1.119 383 R CA 1.628 57.746 56.100 0.031 0.000 0.970 383 R CB -0.115 30.210 30.300 0.041 0.000 0.864 383 R HN 0.386 nan 8.270 nan 0.000 0.440 384 E N 0.562 120.770 120.200 0.014 0.000 2.150 384 E HA -0.135 4.215 4.350 -0.001 0.000 0.193 384 E C 0.934 177.539 176.600 0.008 0.000 0.985 384 E CA 1.554 57.960 56.400 0.009 0.000 0.814 384 E CB -0.621 29.084 29.700 0.007 0.000 0.752 384 E HN 0.518 nan 8.360 nan 0.000 0.466 385 N N -0.772 117.932 118.700 0.006 0.000 2.378 385 N HA 0.326 5.065 4.740 -0.001 0.000 0.243 385 N C 0.548 176.066 175.510 0.014 0.000 1.137 385 N CA 0.789 53.843 53.050 0.006 0.000 0.862 385 N CB 0.438 38.924 38.487 -0.001 0.000 1.116 385 N HN 0.523 nan 8.380 nan 0.000 0.499 386 R N 0.362 120.874 120.500 0.020 0.000 3.225 386 R HA -0.257 4.082 4.340 -0.001 0.000 0.245 386 R C -0.214 176.119 176.300 0.055 0.000 0.928 386 R CA 1.336 57.456 56.100 0.033 0.000 0.632 386 R CB -2.869 27.447 30.300 0.027 0.000 1.038 386 R HN 0.472 nan 8.270 nan 0.000 0.461 387 R N -0.283 120.253 120.500 0.060 0.000 2.799 387 R HA 0.727 5.066 4.340 -0.001 0.000 0.270 387 R C -0.512 175.854 176.300 0.111 0.000 1.010 387 R CA -0.529 55.621 56.100 0.084 0.000 0.916 387 R CB 1.699 31.996 30.300 -0.004 0.000 1.228 387 R HN 0.743 nan 8.270 nan 0.000 0.469 388 H N -0.691 118.374 119.070 -0.007 0.000 2.731 388 H HA 0.589 5.144 4.556 -0.001 0.000 0.368 388 H C -2.850 172.447 175.328 -0.051 0.000 1.168 388 H CA -2.699 53.335 56.048 -0.024 0.000 1.181 388 H CB 1.360 31.144 29.762 0.036 0.000 1.743 388 H HN 0.257 nan 8.280 nan 0.000 0.547 389 P HA 0.320 nan 4.420 nan 0.000 0.276 389 P C -0.389 176.836 177.300 -0.124 0.000 1.244 389 P CA -0.476 62.442 63.100 -0.303 0.000 0.801 389 P CB 0.567 31.889 31.700 -0.630 0.000 1.006 390 A N 0.946 123.616 122.820 -0.251 0.000 2.425 390 A HA 0.153 4.472 4.320 -0.001 0.000 0.242 390 A C 1.896 179.401 177.584 -0.132 0.000 1.077 390 A CA 0.379 52.315 52.037 -0.168 0.000 0.781 390 A CB -0.369 18.495 19.000 -0.226 0.000 1.020 390 A HN 0.523 nan 8.150 nan 0.000 0.494 391 S N -0.155 115.565 115.700 0.032 0.000 2.383 391 S HA -0.218 4.251 4.470 -0.001 0.000 0.229 391 S C 1.798 176.481 174.600 0.138 0.000 1.030 391 S CA 2.313 60.578 58.200 0.110 0.000 1.002 391 S CB -0.767 62.465 63.200 0.054 0.000 0.829 391 S HN 0.971 nan 8.310 nan 0.000 0.467 392 Y N 0.776 121.211 120.300 0.226 0.000 2.274 392 Y HA 0.029 4.578 4.550 -0.001 0.000 0.290 392 Y C 1.967 178.003 175.900 0.226 0.000 1.145 392 Y CA 1.015 59.268 58.100 0.255 0.000 1.203 392 Y CB -0.931 37.635 38.460 0.176 0.000 0.984 392 Y HN 0.272 nan 8.280 nan 0.000 0.533 393 L N 0.301 121.161 121.223 -0.604 0.000 2.093 393 L HA -0.091 4.248 4.340 -0.001 0.000 0.208 393 L C 2.302 179.206 176.870 0.058 0.000 1.085 393 L CA 1.246 55.913 54.840 -0.288 0.000 0.755 393 L CB -0.691 41.031 42.059 -0.562 0.000 0.904 393 L HN 0.224 nan 8.230 nan 0.000 0.435 394 V N -0.727 119.230 119.914 0.071 0.000 2.307 394 V HA -0.306 3.813 4.120 -0.001 0.000 0.245 394 V C 2.567 178.707 176.094 0.076 0.000 1.045 394 V CA 1.852 64.260 62.300 0.179 0.000 1.024 394 V CB -0.955 30.924 31.823 0.093 0.000 0.651 394 V HN 0.520 nan 8.190 nan 0.000 0.449 395 H N 0.440 119.604 119.070 0.157 0.000 2.353 395 H HA -0.100 4.456 4.556 -0.001 0.000 0.300 395 H C 2.423 177.813 175.328 0.103 0.000 1.090 395 H CA 1.833 57.953 56.048 0.121 0.000 1.327 395 H CB -0.698 29.142 29.762 0.131 0.000 1.383 395 H HN 0.489 nan 8.280 nan 0.000 0.508 396 G N -0.049 108.912 108.800 0.268 0.000 2.402 396 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.216 396 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.216 396 G C 2.053 177.022 174.900 0.117 0.000 1.162 396 G CA 0.742 45.964 45.100 0.203 0.000 0.777 396 G HN 0.498 nan 8.290 nan 0.000 0.539 397 G N 0.531 109.420 108.800 0.147 0.000 2.418 397 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.217 397 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.217 397 G C 1.699 176.576 174.900 -0.038 0.000 1.158 397 G CA 1.304 46.461 45.100 0.094 0.000 0.771 397 G HN 0.510 nan 8.290 nan 0.000 0.545 398 K N 0.379 120.770 120.400 -0.015 0.000 2.025 398 K HA 0.101 4.420 4.320 -0.001 0.000 0.207 398 K C 2.831 179.376 176.600 -0.092 0.000 1.049 398 K CA 1.177 57.430 56.287 -0.056 0.000 0.933 398 K CB -0.289 32.206 32.500 -0.009 0.000 0.714 398 K HN 0.201 nan 8.250 nan 0.000 0.438 399 A N 0.917 123.703 122.820 -0.058 0.000 1.933 399 A HA -0.137 4.182 4.320 -0.001 0.000 0.218 399 A C 2.002 179.436 177.584 -0.250 0.000 1.175 399 A CA 1.204 53.181 52.037 -0.099 0.000 0.628 399 A CB -0.524 18.460 19.000 -0.028 0.000 0.814 399 A HN 0.366 nan 8.150 nan 0.000 0.444 400 L N 0.259 121.292 121.223 -0.317 0.000 2.056 400 L HA -0.096 4.244 4.340 -0.001 0.000 0.207 400 L C 1.948 178.213 176.870 -1.007 0.000 1.078 400 L CA 2.368 56.803 54.840 -0.675 0.000 0.749 400 L CB -0.799 40.898 42.059 -0.603 0.000 0.901 400 L HN 0.433 nan 8.230 nan 0.000 0.433 401 N N -0.782 117.578 118.700 -0.567 0.000 2.223 401 N HA -0.172 4.567 4.740 -0.001 0.000 0.185 401 N C 1.823 177.162 175.510 -0.284 0.000 1.016 401 N CA 1.337 54.194 53.050 -0.322 0.000 0.863 401 N CB -0.222 38.199 38.487 -0.111 0.000 0.983 401 N HN 0.406 nan 8.380 nan 0.000 0.429 402 L N -0.447 120.599 121.223 -0.296 0.000 2.083 402 L HA -0.092 4.247 4.340 -0.001 0.000 0.209 402 L C 2.300 178.952 176.870 -0.364 0.000 1.083 402 L CA 1.189 55.888 54.840 -0.235 0.000 0.752 402 L CB -0.487 41.471 42.059 -0.169 0.000 0.899 402 L HN 0.208 nan 8.230 nan 0.000 0.433 403 A N -0.255 122.196 122.820 -0.616 0.000 1.898 403 A HA -0.184 4.135 4.320 -0.001 0.000 0.216 403 A C 2.146 178.977 177.584 -1.256 0.000 1.181 403 A CA 1.194 52.614 52.037 -1.028 0.000 0.620 403 A CB -0.835 17.403 19.000 -1.269 0.000 0.819 403 A HN 0.331 nan 8.150 nan 0.000 0.442 404 F N -0.177 119.183 119.950 -0.984 0.000 2.095 404 F HA -0.262 4.265 4.527 -0.001 0.000 0.298 404 F C 2.803 178.482 175.800 -0.202 0.000 1.104 404 F CA 1.321 58.913 58.000 -0.681 0.000 1.232 404 F CB -0.197 38.528 39.000 -0.457 0.000 0.987 404 F HN 0.174 nan 8.300 nan 0.000 0.475 405 R N 0.314 120.821 120.500 0.012 0.000 2.081 405 R HA -0.153 4.186 4.340 -0.001 0.000 0.235 405 R C 2.441 178.762 176.300 0.036 0.000 1.131 405 R CA 1.202 57.331 56.100 0.049 0.000 0.960 405 R CB -0.751 29.552 30.300 0.004 0.000 0.856 405 R HN 0.261 nan 8.270 nan 0.000 0.436 406 A N 0.612 123.383 122.820 -0.082 0.000 1.933 406 A HA -0.153 4.166 4.320 -0.001 0.000 0.218 406 A C 1.485 179.157 177.584 0.147 0.000 1.175 406 A CA 1.020 53.053 52.037 -0.007 0.000 0.628 406 A CB -0.601 18.350 19.000 -0.081 0.000 0.814 406 A HN 0.399 nan 8.150 nan 0.000 0.444 407 W N 0.441 121.722 121.300 -0.031 0.000 2.584 407 W HA 0.040 4.700 4.660 -0.000 0.000 0.264 407 W C 1.815 178.420 176.519 0.142 0.000 1.264 407 W CA 1.442 58.691 57.345 -0.160 0.000 1.306 407 W CB -1.264 28.096 29.460 -0.165 0.000 1.110 407 W HN 0.521 nan 8.180 nan 0.000 0.606 408 T N -2.293 112.493 114.554 0.387 0.000 3.134 408 T HA 0.290 4.640 4.350 -0.001 0.000 0.260 408 T C 0.605 175.424 174.700 0.198 0.000 1.027 408 T CA -0.384 61.894 62.100 0.297 0.000 0.913 408 T CB 0.054 69.087 68.868 0.276 0.000 1.046 408 T HN -0.156 nan 8.240 nan 0.000 0.553 409 R N 1.907 122.522 120.500 0.190 0.000 2.491 409 R HA 0.243 4.582 4.340 -0.001 0.000 0.283 409 R C 1.652 178.033 176.300 0.135 0.000 1.072 409 R CA -0.366 55.818 56.100 0.139 0.000 1.048 409 R CB 0.862 31.238 30.300 0.126 0.000 0.983 409 R HN 0.262 nan 8.270 nan 0.000 0.450 410 K N 3.044 123.504 120.400 0.099 0.000 2.066 410 K HA -0.348 3.972 4.320 -0.001 0.000 0.221 410 K C 1.943 178.598 176.600 0.092 0.000 1.056 410 K CA 2.696 59.034 56.287 0.084 0.000 0.950 410 K CB -0.084 32.453 32.500 0.062 0.000 0.726 410 K HN 0.738 nan 8.250 nan 0.000 0.456 411 E N -0.292 119.963 120.200 0.092 0.000 2.268 411 E HA -0.030 4.320 4.350 -0.001 0.000 0.195 411 E C 1.655 178.327 176.600 0.119 0.000 0.995 411 E CA 1.332 57.786 56.400 0.091 0.000 0.836 411 E CB -0.403 29.344 29.700 0.079 0.000 0.763 411 E HN 0.654 nan 8.360 nan 0.000 0.491 412 A N -0.507 122.414 122.820 0.168 0.000 2.140 412 A HA 0.410 4.729 4.320 -0.001 0.000 0.209 412 A C 2.141 179.908 177.584 0.305 0.000 1.181 412 A CA 0.726 52.911 52.037 0.248 0.000 0.824 412 A CB -0.039 19.157 19.000 0.326 0.000 0.879 412 A HN 0.431 nan 8.150 nan 0.000 0.480 413 L N 0.893 122.266 121.223 0.250 0.000 2.089 413 L HA -0.118 4.222 4.340 -0.001 0.000 0.213 413 L C -0.894 176.081 176.870 0.176 0.000 1.079 413 L CA 2.492 57.476 54.840 0.240 0.000 0.758 413 L CB -1.088 41.069 42.059 0.163 0.000 0.891 413 L HN 0.167 nan 8.230 nan 0.000 0.433 414 P HA -0.136 nan 4.420 nan 0.000 0.216 414 P C 0.736 178.046 177.300 0.017 0.000 1.150 414 P CA 1.670 64.805 63.100 0.059 0.000 0.837 414 P CB -0.098 31.628 31.700 0.043 0.000 0.786 415 D N -2.577 117.799 120.400 -0.039 0.000 2.349 415 D HA -0.039 4.600 4.640 -0.001 0.000 0.224 415 D C 1.159 177.215 176.300 -0.407 0.000 1.029 415 D CA 0.814 54.681 54.000 -0.222 0.000 0.879 415 D CB -0.046 40.561 40.800 -0.322 0.000 0.906 415 D HN 0.418 nan 8.370 nan 0.000 0.528 416 H N -0.176 118.942 119.070 0.079 0.000 3.266 416 H HA 0.024 4.580 4.556 -0.001 0.000 0.246 416 H C 1.783 177.176 175.328 0.107 0.000 0.998 416 H CA 0.296 56.391 56.048 0.077 0.000 1.152 416 H CB 0.647 30.494 29.762 0.142 0.000 1.466 416 H HN 0.287 nan 8.280 nan 0.000 0.481 417 E N 1.606 121.926 120.200 0.200 0.000 2.147 417 E HA -0.220 4.130 4.350 -0.001 0.000 0.199 417 E C 0.816 177.474 176.600 0.097 0.000 1.005 417 E CA 1.751 58.221 56.400 0.117 0.000 0.810 417 E CB -0.132 29.613 29.700 0.074 0.000 0.736 417 E HN 0.181 nan 8.360 nan 0.000 0.460 418 D N 1.172 121.639 120.400 0.112 0.000 2.182 418 D HA -0.147 4.492 4.640 -0.001 0.000 0.201 418 D C 1.546 177.998 176.300 0.254 0.000 0.986 418 D CA 1.155 55.248 54.000 0.154 0.000 0.847 418 D CB -0.141 40.737 40.800 0.131 0.000 0.942 418 D HN 0.445 nan 8.370 nan 0.000 0.467 419 E N -0.199 120.100 120.200 0.165 0.000 2.478 419 E HA 0.079 4.428 4.350 -0.001 0.000 0.194 419 E C 0.515 177.162 176.600 0.078 0.000 1.045 419 E CA -0.152 56.285 56.400 0.061 0.000 0.868 419 E CB 0.600 30.307 29.700 0.012 0.000 0.885 419 E HN 0.323 nan 8.360 nan 0.000 0.505 420 I N 3.370 123.956 120.570 0.027 0.000 2.517 420 I HA 0.058 4.227 4.170 -0.001 0.000 0.285 420 I C -2.151 173.851 176.117 -0.192 0.000 1.106 420 I CA -1.848 59.245 61.300 -0.345 0.000 1.402 420 I CB 0.184 37.873 38.000 -0.518 0.000 1.399 420 I HN -0.278 nan 8.210 nan 0.000 0.535 421 P HA 0.094 nan 4.420 nan 0.000 0.269 421 P C 0.729 177.921 177.300 -0.180 0.000 1.209 421 P CA 0.066 63.070 63.100 -0.160 0.000 0.776 421 P CB 0.645 32.077 31.700 -0.448 0.000 0.876 422 E N 0.753 120.893 120.200 -0.100 0.000 2.204 422 E HA -0.132 4.217 4.350 -0.001 0.000 0.194 422 E C 1.416 177.955 176.600 -0.102 0.000 0.989 422 E CA 1.778 58.114 56.400 -0.107 0.000 0.824 422 E CB -1.500 28.148 29.700 -0.087 0.000 0.756 422 E HN 0.654 nan 8.360 nan 0.000 0.477 423 T N -1.873 112.638 114.554 -0.071 0.000 3.317 423 T HA 0.378 4.728 4.350 -0.001 0.000 0.250 423 T C 0.299 174.952 174.700 -0.078 0.000 1.106 423 T CA 0.171 62.243 62.100 -0.046 0.000 0.986 423 T CB -0.309 68.570 68.868 0.018 0.000 1.010 423 T HN 0.107 nan 8.240 nan 0.000 0.560 424 V N 1.676 121.490 119.914 -0.166 0.000 2.487 424 V HA 0.581 4.701 4.120 -0.001 0.000 0.298 424 V C -0.078 175.863 176.094 -0.255 0.000 1.028 424 V CA -1.260 60.907 62.300 -0.222 0.000 0.860 424 V CB 1.650 33.253 31.823 -0.366 0.000 0.991 424 V HN 0.329 nan 8.190 nan 0.000 0.427 425 R N 3.144 123.534 120.500 -0.183 0.000 2.287 425 R HA 0.294 4.633 4.340 -0.001 0.000 0.327 425 R C 1.371 177.562 176.300 -0.183 0.000 1.109 425 R CA 0.453 56.457 56.100 -0.160 0.000 1.013 425 R CB 0.497 30.741 30.300 -0.093 0.000 1.126 425 R HN 0.920 nan 8.270 nan 0.000 0.503 426 T N -0.242 114.148 114.554 -0.273 0.000 2.665 426 T HA -0.178 4.171 4.350 -0.001 0.000 0.268 426 T C 1.621 176.287 174.700 -0.056 0.000 1.035 426 T CA 1.707 63.660 62.100 -0.246 0.000 1.151 426 T CB -0.433 68.244 68.868 -0.318 0.000 0.862 426 T HN 0.206 nan 8.240 nan 0.000 0.438 427 V N 2.068 121.954 119.914 -0.047 0.000 2.295 427 V HA -0.202 3.917 4.120 -0.001 0.000 0.246 427 V C 2.973 179.062 176.094 -0.007 0.000 1.049 427 V CA 2.255 64.550 62.300 -0.008 0.000 1.024 427 V CB -1.035 30.780 31.823 -0.013 0.000 0.648 427 V HN 0.586 nan 8.190 nan 0.000 0.447 428 Q N -0.495 119.290 119.800 -0.026 0.000 2.084 428 Q HA -0.234 4.105 4.340 -0.001 0.000 0.202 428 Q C 2.254 178.249 176.000 -0.009 0.000 0.978 428 Q CA 1.916 57.707 55.803 -0.019 0.000 0.844 428 Q CB -0.184 28.537 28.738 -0.028 0.000 0.898 428 Q HN 0.550 nan 8.270 nan 0.000 0.426 429 L N 0.832 122.047 121.223 -0.013 0.000 1.989 429 L HA -0.179 4.160 4.340 -0.001 0.000 0.211 429 L C 2.052 178.953 176.870 0.052 0.000 1.071 429 L CA 1.744 56.592 54.840 0.012 0.000 0.749 429 L CB -0.616 41.437 42.059 -0.011 0.000 0.890 429 L HN 0.334 nan 8.230 nan 0.000 0.431 430 I N -0.490 120.125 120.570 0.074 0.000 2.163 430 I HA -0.296 3.873 4.170 -0.001 0.000 0.243 430 I C 2.450 178.592 176.117 0.041 0.000 1.085 430 I CA 1.180 62.544 61.300 0.106 0.000 1.347 430 I CB -0.535 37.539 38.000 0.123 0.000 1.044 430 I HN 0.251 nan 8.210 nan 0.000 0.408 431 K N 0.608 121.019 120.400 0.018 0.000 2.026 431 K HA -0.172 4.147 4.320 -0.001 0.000 0.208 431 K C 1.702 178.286 176.600 -0.026 0.000 1.048 431 K CA 1.525 57.808 56.287 -0.007 0.000 0.929 431 K CB -0.703 31.792 32.500 -0.008 0.000 0.713 431 K HN 0.291 nan 8.250 nan 0.000 0.439 432 D N 0.885 121.272 120.400 -0.022 0.000 2.144 432 D HA -0.133 4.506 4.640 -0.001 0.000 0.199 432 D C 1.906 178.160 176.300 -0.076 0.000 0.984 432 D CA 0.551 54.528 54.000 -0.039 0.000 0.834 432 D CB -0.170 40.618 40.800 -0.021 0.000 0.955 432 D HN -0.019 nan 8.370 nan 0.000 0.465 433 L N 0.815 122.001 121.223 -0.062 0.000 2.056 433 L HA 0.007 4.346 4.340 -0.001 0.000 0.207 433 L C 2.129 178.880 176.870 -0.198 0.000 1.078 433 L CA 1.455 56.217 54.840 -0.130 0.000 0.749 433 L CB -0.869 41.176 42.059 -0.023 0.000 0.901 433 L HN -0.028 nan 8.230 nan 0.000 0.433 434 A N -0.512 122.238 122.820 -0.117 0.000 1.933 434 A HA -0.260 4.060 4.320 -0.001 0.000 0.218 434 A C 2.515 180.013 177.584 -0.144 0.000 1.175 434 A CA 1.858 53.824 52.037 -0.120 0.000 0.628 434 A CB -0.608 18.352 19.000 -0.066 0.000 0.814 434 A HN 0.498 nan 8.150 nan 0.000 0.444 435 R N -0.451 119.973 120.500 -0.128 0.000 2.070 435 R HA -0.144 4.195 4.340 -0.001 0.000 0.232 435 R C 2.042 178.236 176.300 -0.176 0.000 1.138 435 R CA 1.632 57.660 56.100 -0.121 0.000 0.936 435 R CB -0.289 29.959 30.300 -0.086 0.000 0.839 435 R HN 0.438 nan 8.270 nan 0.000 0.429 436 E N 0.635 120.691 120.200 -0.239 0.000 2.049 436 E HA -0.222 4.127 4.350 -0.001 0.000 0.198 436 E C 2.058 178.365 176.600 -0.488 0.000 1.007 436 E CA 1.302 57.496 56.400 -0.343 0.000 0.809 436 E CB -0.357 29.061 29.700 -0.470 0.000 0.749 436 E HN 0.321 nan 8.360 nan 0.000 0.450 437 I N 1.056 121.260 120.570 -0.610 0.000 2.127 437 I HA -0.273 3.897 4.170 -0.001 0.000 0.241 437 I C 2.662 178.619 176.117 -0.267 0.000 1.075 437 I CA 1.327 62.332 61.300 -0.492 0.000 1.334 437 I CB -0.578 37.206 38.000 -0.360 0.000 1.040 437 I HN 0.061 nan 8.210 nan 0.000 0.405 438 R N 0.512 120.889 120.500 -0.204 0.000 2.105 438 R HA -0.179 4.160 4.340 -0.001 0.000 0.239 438 R C 2.251 178.471 176.300 -0.134 0.000 1.135 438 R CA 1.436 57.454 56.100 -0.137 0.000 0.967 438 R CB -0.321 29.916 30.300 -0.105 0.000 0.861 438 R HN 0.330 nan 8.270 nan 0.000 0.442 439 L N 0.051 121.186 121.223 -0.148 0.000 1.994 439 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 439 L C 2.449 179.217 176.870 -0.169 0.000 1.071 439 L CA 1.194 55.959 54.840 -0.126 0.000 0.745 439 L CB -0.443 41.554 42.059 -0.103 0.000 0.892 439 L HN 0.096 nan 8.230 nan 0.000 0.431 440 V N -0.088 119.691 119.914 -0.225 0.000 2.392 440 V HA -0.278 3.842 4.120 -0.001 0.000 0.249 440 V C 2.310 178.077 176.094 -0.545 0.000 1.059 440 V CA 1.776 63.817 62.300 -0.431 0.000 1.051 440 V CB -0.619 30.977 31.823 -0.380 0.000 0.658 440 V HN 0.486 nan 8.190 nan 0.000 0.455 441 E N -0.161 119.872 120.200 -0.278 0.000 2.150 441 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 441 E C 1.855 178.427 176.600 -0.046 0.000 0.985 441 E CA 1.243 57.576 56.400 -0.113 0.000 0.814 441 E CB -0.157 29.508 29.700 -0.058 0.000 0.752 441 E HN 0.655 nan 8.360 nan 0.000 0.466 442 D N 0.856 121.208 120.400 -0.081 0.000 2.103 442 D HA -0.084 4.556 4.640 -0.001 0.000 0.199 442 D C 2.073 178.359 176.300 -0.024 0.000 0.978 442 D CA 0.766 54.742 54.000 -0.039 0.000 0.829 442 D CB -0.098 40.672 40.800 -0.049 0.000 0.981 442 D HN 0.186 nan 8.370 nan 0.000 0.464 443 I N 0.375 120.901 120.570 -0.075 0.000 2.286 443 I HA -0.216 3.953 4.170 -0.001 0.000 0.248 443 I C 2.265 178.439 176.117 0.096 0.000 1.115 443 I CA 0.858 62.132 61.300 -0.043 0.000 1.392 443 I CB -0.276 37.650 38.000 -0.125 0.000 1.065 443 I HN -0.067 nan 8.210 nan 0.000 0.418 444 F N 0.500 120.420 119.950 -0.051 0.000 2.365 444 F HA -0.215 4.311 4.527 -0.001 0.000 0.300 444 F C 2.652 178.434 175.800 -0.030 0.000 1.090 444 F CA 0.448 58.421 58.000 -0.045 0.000 1.408 444 F CB -0.072 38.912 39.000 -0.027 0.000 1.060 444 F HN 0.215 nan 8.300 nan 0.000 0.534 445 Q N 0.234 120.129 119.800 0.159 0.000 2.378 445 Q HA -0.142 4.197 4.340 -0.001 0.000 0.205 445 Q C 1.982 178.014 176.000 0.052 0.000 0.954 445 Q CA 0.500 56.353 55.803 0.085 0.000 0.901 445 Q CB 0.169 28.939 28.738 0.054 0.000 0.981 445 Q HN 0.323 nan 8.270 nan 0.000 0.483 446 Q N 0.975 120.805 119.800 0.049 0.000 2.124 446 Q HA -0.079 4.260 4.340 -0.001 0.000 0.202 446 Q C 0.639 176.652 176.000 0.021 0.000 0.977 446 Q CA 1.081 56.900 55.803 0.026 0.000 0.850 446 Q CB -0.251 28.496 28.738 0.016 0.000 0.901 446 Q HN 0.558 nan 8.270 nan 0.000 0.429 447 N N 0.000 118.716 118.700 0.027 0.000 1.763 447 N HA 0.000 4.739 4.740 -0.001 0.000 0.220 447 N CA 0.000 53.055 53.050 0.008 0.000 0.885 447 N CB 0.000 38.483 38.487 -0.006 0.000 1.341 447 N HN 0.000 nan 8.380 nan 0.000 0.667