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 2bpl_1_C DATA FIRST_RESID 1 DATA SEQUENCE CGIVGAIAQR DVAEILLEGL RRLEYRGYDS AGLAVVDAEG HMTRLRRLGK DATA SEQUENCE VQMLAQAAEE HPLHGGTGIA HTRWATHGEP SEVNAHPHVS EHIVVVHNGI DATA SEQUENCE IENHEPLREE LKARGYTFVS ETDTEVIAHL VNWELKQGGT LREAVLRAIP DATA SEQUENCE QLRGAYGTVI MDSRHPDTLL AARSGSPLVI GLGMGENFIA SDQLALLPVT DATA SEQUENCE RRFIFLEEGD IAEITRRSVN IFDKTGAEVK RQDIESNLQY DAGDKGIYRH DATA SEQUENCE YMQKEIYEQP NAIKNTLTGR ISHGQVDLSE LGPNADELLS KVEHIQILAC DATA SEQUENCE GTSYNSGMVS RYWFESLAGI PCDVEIASEF RYRKSAVRRN SLMITLSQSG DATA SEQUENCE ETADTLAGLR LSKELGYLGS LAICNVPGSS LVRESDLALM TNAGTEIGVA DATA SEQUENCE STKAFTTQLT VLLMLVAKLS KLKGLDASIE HDIVHGLQAL PSRIEQMLSQ DATA SEQUENCE DKRIEALAED FSDKHHALFL GRGDQYPIAL EGALKLKEIS YIHAEAYAAG DATA SEQUENCE ELKHGPLALI DADMPVIVVA PNNELLEKLK SNIEEVRARG GQLYVFADQD DATA SEQUENCE AGFVSSDNMH IIEMPHVEEV IAPIFYTVPL QLLAYHVALI KGTDVDQPRN DATA SEQUENCE LAKSVTVE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 174.776 174.990 -0.357 0.000 1.270 1 C CA 0.000 58.843 59.018 -0.291 0.000 1.963 1 C CB 0.000 27.596 27.740 -0.239 0.000 2.134 2 G N -0.328 108.175 108.800 -0.494 0.000 2.569 2 G HA2 0.878 4.838 3.960 0.001 0.000 0.300 2 G HA3 0.878 4.838 3.960 0.001 0.000 0.300 2 G C -1.733 172.851 174.900 -0.527 0.000 1.269 2 G CA -0.519 44.332 45.100 -0.415 0.000 0.959 2 G HN 0.738 nan 8.290 nan 0.000 0.478 3 I N -0.148 120.278 120.570 -0.241 0.000 2.686 3 I HA 0.509 4.679 4.170 0.001 0.000 0.295 3 I C -0.877 175.230 176.117 -0.017 0.000 1.114 3 I CA -0.899 60.357 61.300 -0.073 0.000 1.038 3 I CB 2.752 40.770 38.000 0.029 0.000 1.238 3 I HN 0.232 nan 8.210 nan 0.000 0.420 4 V N 3.532 123.469 119.914 0.038 0.000 2.888 4 V HA 0.940 5.060 4.120 0.001 0.000 0.309 4 V C -0.160 175.993 176.094 0.098 0.000 1.114 4 V CA -0.483 61.856 62.300 0.065 0.000 0.940 4 V CB 1.997 33.853 31.823 0.055 0.000 1.021 4 V HN 0.924 nan 8.190 nan 0.000 0.426 5 G N 1.593 110.470 108.800 0.128 0.000 2.677 5 G HA2 0.922 4.883 3.960 0.001 0.000 0.291 5 G HA3 0.922 4.883 3.960 0.001 0.000 0.291 5 G C -1.419 173.577 174.900 0.159 0.000 1.435 5 G CA -0.172 44.999 45.100 0.119 0.000 0.826 5 G HN 1.508 nan 8.290 nan 0.000 0.491 6 A N 0.337 123.195 122.820 0.064 0.000 2.521 6 A HA 0.587 4.907 4.320 0.001 0.000 0.298 6 A C -1.303 176.201 177.584 -0.133 0.000 1.044 6 A CA -0.511 51.501 52.037 -0.042 0.000 0.911 6 A CB 0.434 19.564 19.000 0.216 0.000 1.376 6 A HN 0.992 nan 8.150 nan 0.000 0.392 7 I N 1.894 122.294 120.570 -0.285 0.000 2.355 7 I HA 0.724 4.894 4.170 0.001 0.000 0.288 7 I C 0.525 176.476 176.117 -0.277 0.000 0.999 7 I CA -0.080 61.097 61.300 -0.204 0.000 1.163 7 I CB 1.693 39.599 38.000 -0.158 0.000 1.316 7 I HN 0.817 nan 8.210 nan 0.000 0.454 8 A N 4.109 126.838 122.820 -0.153 0.000 2.475 8 A HA 0.917 5.237 4.320 0.001 0.000 0.281 8 A C 0.080 177.637 177.584 -0.046 0.000 1.263 8 A CA -0.142 51.833 52.037 -0.104 0.000 0.776 8 A CB 1.151 20.138 19.000 -0.023 0.000 1.347 8 A HN 0.613 nan 8.150 nan 0.000 0.443 9 Q N -1.545 118.244 119.800 -0.019 0.000 2.182 9 Q HA 0.585 4.925 4.340 0.001 0.000 0.270 9 Q C 0.226 176.231 176.000 0.007 0.000 0.861 9 Q CA 0.755 56.553 55.803 -0.008 0.000 1.098 9 Q CB -0.307 nan 28.738 nan 0.000 1.188 9 Q HN 1.765 nan 8.270 nan 0.000 0.464 10 R N -0.255 120.258 120.500 0.022 0.000 2.846 10 R HA 0.655 4.996 4.340 0.001 0.000 0.263 10 R C -1.360 174.969 176.300 0.049 0.000 1.080 10 R CA -0.338 55.782 56.100 0.034 0.000 0.961 10 R CB -0.093 nan 30.300 nan 0.000 1.231 10 R HN 0.366 nan 8.270 nan 0.000 0.465 11 D N 1.642 122.078 120.400 0.060 0.000 2.417 11 D HA 0.160 4.801 4.640 0.001 0.000 0.250 11 D C 1.255 177.615 176.300 0.100 0.000 1.166 11 D CA 0.599 54.652 54.000 0.089 0.000 0.881 11 D CB 1.699 42.575 40.800 0.126 0.000 1.164 11 D HN 0.561 nan 8.370 nan 0.000 0.467 12 V N 0.378 120.355 119.914 0.105 0.000 3.647 12 V HA 0.223 4.343 4.120 0.001 0.000 0.279 12 V C 1.672 177.835 176.094 0.115 0.000 1.314 12 V CA 0.562 62.944 62.300 0.136 0.000 1.125 12 V CB 0.008 31.916 31.823 0.141 0.000 0.907 12 V HN 0.484 nan 8.190 nan 0.000 0.434 13 A N 1.672 124.548 122.820 0.094 0.000 1.849 13 A HA -0.228 4.092 4.320 0.001 0.000 0.216 13 A C 2.118 179.742 177.584 0.066 0.000 1.225 13 A CA 2.332 54.413 52.037 0.073 0.000 0.653 13 A CB -0.862 18.175 19.000 0.062 0.000 0.844 13 A HN 0.552 nan 8.150 nan 0.000 0.453 14 E N -0.260 119.976 120.200 0.061 0.000 2.187 14 E HA -0.226 4.124 4.350 0.001 0.000 0.199 14 E C 1.947 178.576 176.600 0.047 0.000 1.004 14 E CA 1.545 57.975 56.400 0.049 0.000 0.813 14 E CB -0.521 29.206 29.700 0.046 0.000 0.736 14 E HN 0.757 nan 8.360 nan 0.000 0.468 15 I N 0.527 121.133 120.570 0.061 0.000 2.439 15 I HA -0.204 3.967 4.170 0.001 0.000 0.251 15 I C 2.427 178.581 176.117 0.061 0.000 1.139 15 I CA 0.558 61.887 61.300 0.049 0.000 1.438 15 I CB -0.108 37.936 38.000 0.074 0.000 1.085 15 I HN 0.015 nan 8.210 nan 0.000 0.427 16 L N 0.129 121.403 121.223 0.085 0.000 2.109 16 L HA -0.189 4.151 4.340 0.001 0.000 0.207 16 L C 2.943 179.847 176.870 0.056 0.000 1.086 16 L CA 0.968 55.857 54.840 0.082 0.000 0.760 16 L CB -0.784 41.329 42.059 0.090 0.000 0.910 16 L HN 0.321 nan 8.230 nan 0.000 0.437 17 L N -0.978 120.275 121.223 0.049 0.000 2.017 17 L HA -0.213 4.127 4.340 0.001 0.000 0.208 17 L C 2.607 179.498 176.870 0.034 0.000 1.073 17 L CA 2.443 57.307 54.840 0.040 0.000 0.745 17 L CB -1.302 40.780 42.059 0.037 0.000 0.894 17 L HN 0.237 nan 8.230 nan 0.000 0.432 18 E N 0.266 120.485 120.200 0.031 0.000 2.051 18 E HA -0.065 4.286 4.350 0.001 0.000 0.192 18 E C 2.400 179.015 176.600 0.025 0.000 0.991 18 E CA 1.451 57.866 56.400 0.026 0.000 0.799 18 E CB -1.033 28.676 29.700 0.014 0.000 0.748 18 E HN 0.580 nan 8.360 nan 0.000 0.449 19 G N 1.291 110.103 108.800 0.019 0.000 2.529 19 G HA2 -0.293 3.667 3.960 0.001 0.000 0.219 19 G HA3 -0.293 3.667 3.960 0.001 0.000 0.219 19 G C 1.732 176.639 174.900 0.012 0.000 1.177 19 G CA 1.209 46.319 45.100 0.016 0.000 0.773 19 G HN 0.316 nan 8.290 nan 0.000 0.573 20 L N -0.207 121.024 121.223 0.012 0.000 1.971 20 L HA -0.167 4.174 4.340 0.001 0.000 0.215 20 L C 3.263 180.142 176.870 0.015 0.000 1.072 20 L CA 1.695 56.535 54.840 0.001 0.000 0.758 20 L CB -0.487 41.581 42.059 0.014 0.000 0.889 20 L HN 0.225 nan 8.230 nan 0.000 0.433 21 R N -0.102 120.418 120.500 0.034 0.000 2.113 21 R HA -0.214 4.127 4.340 0.001 0.000 0.244 21 R C 2.257 178.597 176.300 0.067 0.000 1.142 21 R CA 1.679 57.810 56.100 0.051 0.000 0.953 21 R CB -0.404 29.928 30.300 0.054 0.000 0.860 21 R HN 0.428 nan 8.270 nan 0.000 0.438 22 R N 0.262 120.799 120.500 0.061 0.000 2.276 22 R HA 0.052 4.392 4.340 0.001 0.000 0.203 22 R C 1.474 177.853 176.300 0.132 0.000 1.017 22 R CA 0.544 56.692 56.100 0.081 0.000 1.010 22 R CB 0.147 30.482 30.300 0.058 0.000 0.900 22 R HN 0.218 nan 8.270 nan 0.000 0.469 23 L N -0.217 121.034 121.223 0.047 0.000 2.728 23 L HA 0.155 4.495 4.340 0.001 0.000 0.238 23 L C 1.823 178.577 176.870 -0.194 0.000 1.143 23 L CA -0.008 54.782 54.840 -0.083 0.000 0.937 23 L CB 0.209 42.178 42.059 -0.149 0.000 1.225 23 L HN 0.140 nan 8.230 nan 0.000 0.507 24 E N 0.960 121.154 120.200 -0.009 0.000 2.150 24 E HA -0.234 4.117 4.350 0.001 0.000 0.193 24 E C 1.985 178.644 176.600 0.099 0.000 0.985 24 E CA 1.451 57.871 56.400 0.033 0.000 0.814 24 E CB 0.030 29.782 29.700 0.085 0.000 0.752 24 E HN 0.678 nan 8.360 nan 0.000 0.466 25 Y N -0.724 119.603 120.300 0.044 0.000 2.483 25 Y HA -0.037 4.514 4.550 0.001 0.000 0.291 25 Y C 1.751 177.721 175.900 0.116 0.000 1.143 25 Y CA 0.481 58.634 58.100 0.088 0.000 1.289 25 Y CB -0.151 38.269 38.460 -0.065 0.000 0.983 25 Y HN -0.123 nan 8.280 nan 0.000 0.556 26 R N 1.298 121.423 120.500 -0.626 0.000 2.246 26 R HA 0.320 4.660 4.340 0.001 0.000 0.199 26 R C 0.271 176.386 176.300 -0.310 0.000 0.984 26 R CA 0.766 56.545 56.100 -0.536 0.000 1.015 26 R CB 0.304 30.203 30.300 -0.667 0.000 0.930 26 R HN 0.487 nan 8.270 nan 0.000 0.475 27 G N 0.450 109.115 108.800 -0.226 0.000 2.289 27 G HA2 0.261 4.222 3.960 0.001 0.000 0.315 27 G HA3 0.261 4.222 3.960 0.001 0.000 0.315 27 G C -0.846 173.985 174.900 -0.116 0.000 1.587 27 G CA -0.673 44.258 45.100 -0.281 0.000 0.949 27 G HN 0.193 nan 8.290 nan 0.000 0.626 28 Y N -0.345 119.918 120.300 -0.061 0.000 2.738 28 Y HA 0.416 4.966 4.550 0.001 0.000 0.249 28 Y C 0.829 176.717 175.900 -0.019 0.000 1.157 28 Y CA -0.718 57.363 58.100 -0.032 0.000 1.189 28 Y CB 0.438 38.893 38.460 -0.008 0.000 1.262 28 Y HN 0.307 nan 8.280 nan 0.000 0.554 29 D N 1.265 121.643 120.400 -0.036 0.000 2.194 29 D HA 0.028 4.668 4.640 0.001 0.000 0.204 29 D C 0.881 177.187 176.300 0.011 0.000 0.964 29 D CA 1.652 55.641 54.000 -0.019 0.000 0.846 29 D CB 0.319 41.071 40.800 -0.080 0.000 0.962 29 D HN 0.443 nan 8.370 nan 0.000 0.490 30 S N -1.617 114.088 115.700 0.008 0.000 2.661 30 S HA 0.820 5.290 4.470 0.001 0.000 0.268 30 S C -1.375 173.245 174.600 0.035 0.000 1.162 30 S CA -0.465 57.749 58.200 0.024 0.000 0.817 30 S CB 2.089 65.299 63.200 0.016 0.000 1.141 30 S HN 0.196 nan 8.310 nan 0.000 0.477 31 A N -0.683 122.168 122.820 0.051 0.000 2.586 31 A HA 0.953 5.273 4.320 0.001 0.000 0.291 31 A C -0.254 177.382 177.584 0.086 0.000 1.062 31 A CA -0.298 51.784 52.037 0.074 0.000 0.666 31 A CB 0.633 19.667 19.000 0.056 0.000 1.281 31 A HN 2.255 nan 8.150 nan 0.000 0.421 32 G N -0.968 107.902 108.800 0.116 0.000 2.682 32 G HA2 0.843 4.804 3.960 0.001 0.000 0.290 32 G HA3 0.843 4.804 3.960 0.001 0.000 0.290 32 G C -1.326 173.636 174.900 0.103 0.000 1.425 32 G CA 0.063 45.223 45.100 0.100 0.000 0.807 32 G HN 2.135 nan 8.290 nan 0.000 0.482 33 L N -2.066 119.203 121.223 0.077 0.000 2.591 33 L HA 0.907 5.248 4.340 0.001 0.000 0.257 33 L C -1.052 175.848 176.870 0.051 0.000 0.935 33 L CA -1.088 53.794 54.840 0.071 0.000 0.873 33 L CB 1.839 43.936 42.059 0.062 0.000 1.397 33 L HN 1.210 nan 8.230 nan 0.000 0.414 34 A N 3.262 126.111 122.820 0.048 0.000 2.330 34 A HA 0.844 5.164 4.320 0.001 0.000 0.313 34 A C -1.073 176.534 177.584 0.037 0.000 1.124 34 A CA -0.583 51.474 52.037 0.034 0.000 0.774 34 A CB 1.869 20.884 19.000 0.024 0.000 1.198 34 A HN 0.603 nan 8.150 nan 0.000 0.465 35 V N 2.801 122.735 119.914 0.033 0.000 2.487 35 V HA 0.715 4.835 4.120 0.001 0.000 0.298 35 V C 0.497 176.611 176.094 0.033 0.000 1.028 35 V CA -0.382 61.940 62.300 0.037 0.000 0.860 35 V CB 1.114 32.961 31.823 0.040 0.000 0.991 35 V HN 1.075 nan 8.190 nan 0.000 0.427 36 V N 2.306 122.239 119.914 0.033 0.000 3.211 36 V HA 0.944 5.065 4.120 0.001 0.000 0.319 36 V C 0.142 176.258 176.094 0.036 0.000 1.096 36 V CA 0.088 62.406 62.300 0.031 0.000 1.029 36 V CB 1.493 33.331 31.823 0.025 0.000 1.137 36 V HN 0.914 nan 8.190 nan 0.000 0.453 37 D N -0.198 120.222 120.400 0.033 0.000 2.467 37 D HA 0.708 5.348 4.640 0.001 0.000 0.245 37 D C 0.898 177.212 176.300 0.022 0.000 1.038 37 D CA 0.228 54.249 54.000 0.036 0.000 1.038 37 D CB 1.742 nan 40.800 nan 0.000 1.278 37 D HN 1.570 nan 8.370 nan 0.000 0.564 38 A N -1.504 121.327 122.820 0.018 0.000 2.067 38 A HA 0.335 4.655 4.320 0.001 0.000 0.219 38 A C 2.093 179.681 177.584 0.007 0.000 1.158 38 A CA 2.564 54.605 52.037 0.008 0.000 0.661 38 A CB -0.671 nan 19.000 nan 0.000 0.801 38 A HN 0.988 nan 8.150 nan 0.000 0.452 39 E N -2.126 118.081 120.200 0.011 0.000 2.389 39 E HA 0.366 4.716 4.350 0.001 0.000 0.199 39 E C 1.421 178.027 176.600 0.010 0.000 0.978 39 E CA 1.045 57.450 56.400 0.009 0.000 0.912 39 E CB -0.608 29.099 29.700 0.010 0.000 0.907 39 E HN 1.850 nan 8.360 nan 0.000 0.494 40 G N -1.845 106.964 108.800 0.015 0.000 2.141 40 G HA2 0.090 4.050 3.960 0.001 0.000 0.164 40 G HA3 0.090 4.050 3.960 0.001 0.000 0.164 40 G C 0.301 175.212 174.900 0.019 0.000 1.009 40 G CA 0.720 45.830 45.100 0.016 0.000 0.677 40 G HN 1.552 nan 8.290 nan 0.000 0.508 41 H N -1.190 117.894 119.070 0.022 0.000 3.086 41 H HA 0.865 5.421 4.556 0.001 0.000 0.265 41 H C 0.795 176.139 175.328 0.026 0.000 1.092 41 H CA 1.077 57.140 56.048 0.024 0.000 1.487 41 H CB 0.172 nan 29.762 nan 0.000 1.514 41 H HN 1.727 nan 8.280 nan 0.000 0.497 42 M N 2.488 122.102 119.600 0.024 0.000 2.277 42 M HA 0.624 5.105 4.480 0.001 0.000 0.350 42 M C 0.456 176.768 176.300 0.019 0.000 1.180 42 M CA -0.420 54.894 55.300 0.024 0.000 1.103 42 M CB 0.028 nan 32.600 nan 0.000 1.577 42 M HN 0.797 nan 8.290 nan 0.000 0.459 43 T N 2.013 116.578 114.554 0.018 0.000 2.890 43 T HA 0.741 5.091 4.350 0.001 0.000 0.295 43 T C -0.022 174.687 174.700 0.014 0.000 0.993 43 T CA -0.322 61.785 62.100 0.013 0.000 0.979 43 T CB 0.717 69.589 68.868 0.006 0.000 0.967 43 T HN 1.223 nan 8.240 nan 0.000 0.441 44 R N 2.568 123.076 120.500 0.012 0.000 2.215 44 R HA 0.756 5.097 4.340 0.001 0.000 0.337 44 R C -0.903 175.406 176.300 0.015 0.000 1.010 44 R CA -0.666 55.443 56.100 0.015 0.000 0.871 44 R CB 0.048 30.354 30.300 0.010 0.000 1.134 44 R HN 0.614 nan 8.270 nan 0.000 0.477 45 L N 1.701 122.936 121.223 0.020 0.000 2.325 45 L HA 0.752 5.093 4.340 0.001 0.000 0.278 45 L C 0.073 176.960 176.870 0.029 0.000 1.023 45 L CA -0.459 54.393 54.840 0.020 0.000 0.811 45 L CB 1.925 43.993 42.059 0.016 0.000 1.249 45 L HN 0.826 nan 8.230 nan 0.000 0.431 46 R N 3.200 123.717 120.500 0.028 0.000 2.710 46 R HA 0.699 5.039 4.340 0.001 0.000 0.270 46 R C -1.427 174.892 176.300 0.031 0.000 1.021 46 R CA -1.168 54.953 56.100 0.036 0.000 0.889 46 R CB 2.434 32.755 30.300 0.035 0.000 1.243 46 R HN 0.500 nan 8.270 nan 0.000 0.464 47 R N 1.526 122.047 120.500 0.036 0.000 2.725 47 R HA 0.236 4.576 4.340 0.001 0.000 0.276 47 R C -1.312 175.008 176.300 0.033 0.000 1.189 47 R CA -0.479 55.640 56.100 0.032 0.000 1.083 47 R CB 1.337 31.656 30.300 0.032 0.000 1.262 47 R HN 0.460 nan 8.270 nan 0.000 0.415 48 L N 3.674 124.914 121.223 0.028 0.000 2.499 48 L HA 0.410 4.750 4.340 0.001 0.000 0.273 48 L C 0.900 177.789 176.870 0.032 0.000 1.195 48 L CA 1.533 56.388 54.840 0.026 0.000 0.882 48 L CB 0.647 42.717 42.059 0.019 0.000 1.133 48 L HN 0.974 nan 8.230 nan 0.000 0.483 49 G N 3.969 112.793 108.800 0.040 0.000 2.409 49 G HA2 -0.140 3.820 3.960 0.001 0.000 0.421 49 G HA3 -0.140 3.820 3.960 0.001 0.000 0.421 49 G C -0.963 173.982 174.900 0.075 0.000 1.259 49 G CA -0.873 44.261 45.100 0.057 0.000 1.011 49 G HN 0.501 nan 8.290 nan 0.000 0.497 50 K N -0.117 120.334 120.400 0.086 0.000 2.319 50 K HA 0.319 4.639 4.320 0.001 0.000 0.265 50 K C 1.866 178.508 176.600 0.070 0.000 1.000 50 K CA 0.145 56.492 56.287 0.100 0.000 0.943 50 K CB 1.367 33.908 32.500 0.069 0.000 0.950 50 K HN 0.409 nan 8.250 nan 0.000 0.485 51 V N 1.764 121.721 119.914 0.071 0.000 2.363 51 V HA -0.288 3.833 4.120 0.001 0.000 0.254 51 V C 2.165 178.285 176.094 0.043 0.000 1.074 51 V CA 1.771 64.102 62.300 0.051 0.000 1.069 51 V CB -0.530 31.320 31.823 0.045 0.000 0.659 51 V HN 0.774 nan 8.190 nan 0.000 0.455 52 Q N -1.410 118.414 119.800 0.041 0.000 2.576 52 Q HA -0.143 4.198 4.340 0.001 0.000 0.219 52 Q C 1.665 177.684 176.000 0.030 0.000 0.976 52 Q CA 0.664 56.487 55.803 0.033 0.000 0.977 52 Q CB 0.007 28.763 28.738 0.029 0.000 0.988 52 Q HN 0.563 nan 8.270 nan 0.000 0.555 53 M N -0.932 118.689 119.600 0.034 0.000 2.276 53 M HA -0.052 4.429 4.480 0.001 0.000 0.262 53 M C 1.683 177.999 176.300 0.027 0.000 1.098 53 M CA 0.998 56.316 55.300 0.030 0.000 1.167 53 M CB -0.185 32.435 32.600 0.034 0.000 1.337 53 M HN 0.173 nan 8.290 nan 0.000 0.446 54 L N -0.367 120.874 121.223 0.031 0.000 2.013 54 L HA -0.228 4.112 4.340 0.001 0.000 0.212 54 L C 2.482 179.367 176.870 0.024 0.000 1.073 54 L CA 1.891 56.748 54.840 0.029 0.000 0.753 54 L CB -1.910 40.170 42.059 0.035 0.000 0.890 54 L HN 0.360 nan 8.230 nan 0.000 0.432 55 A N 0.086 122.921 122.820 0.025 0.000 1.958 55 A HA -0.311 4.010 4.320 0.001 0.000 0.221 55 A C 2.455 180.049 177.584 0.017 0.000 1.178 55 A CA 2.678 54.728 52.037 0.022 0.000 0.642 55 A CB -0.878 18.136 19.000 0.024 0.000 0.816 55 A HN 0.562 nan 8.150 nan 0.000 0.453 56 Q N -1.552 118.258 119.800 0.017 0.000 2.245 56 Q HA 0.382 4.723 4.340 0.001 0.000 0.201 56 Q C 2.197 178.203 176.000 0.010 0.000 0.955 56 Q CA 1.861 57.672 55.803 0.013 0.000 0.870 56 Q CB -0.891 27.856 28.738 0.014 0.000 0.945 56 Q HN 1.150 nan 8.270 nan 0.000 0.461 57 A N -0.347 122.479 122.820 0.011 0.000 2.169 57 A HA 0.617 4.938 4.320 0.001 0.000 0.210 57 A C 2.383 179.968 177.584 0.001 0.000 1.168 57 A CA 1.110 53.151 52.037 0.007 0.000 0.813 57 A CB -0.051 18.956 19.000 0.011 0.000 0.861 57 A HN 0.916 nan 8.150 nan 0.000 0.481 58 A N -0.613 122.208 122.820 0.002 0.000 2.169 58 A HA 0.070 4.390 4.320 0.001 0.000 0.212 58 A C 1.714 179.288 177.584 -0.016 0.000 1.153 58 A CA 1.042 53.075 52.037 -0.007 0.000 0.756 58 A CB -0.225 18.776 19.000 0.001 0.000 0.813 58 A HN 0.507 nan 8.150 nan 0.000 0.471 59 E N -0.809 119.387 120.200 -0.007 0.000 2.442 59 E HA -0.020 4.331 4.350 0.001 0.000 0.195 59 E C 1.938 178.532 176.600 -0.011 0.000 1.030 59 E CA 0.833 57.229 56.400 -0.007 0.000 0.869 59 E CB 0.213 29.914 29.700 0.002 0.000 0.857 59 E HN 0.758 nan 8.360 nan 0.000 0.505 60 E N -0.816 119.377 120.200 -0.011 0.000 2.175 60 E HA 0.007 4.357 4.350 0.001 0.000 0.195 60 E C 0.931 177.518 176.600 -0.021 0.000 0.934 60 E CA 0.904 57.297 56.400 -0.011 0.000 0.870 60 E CB -0.403 29.294 29.700 -0.005 0.000 0.838 60 E HN 0.444 nan 8.360 nan 0.000 0.474 61 H N 1.841 120.896 119.070 -0.025 0.000 2.680 61 H HA 0.581 5.138 4.556 0.001 0.000 0.260 61 H C -2.373 172.916 175.328 -0.064 0.000 1.328 61 H CA -1.787 54.239 56.048 -0.035 0.000 1.269 61 H CB -0.176 29.573 29.762 -0.021 0.000 1.446 61 H HN 0.273 nan 8.280 nan 0.000 0.527 62 P HA 0.065 nan 4.420 nan 0.000 0.268 62 P C 0.019 177.187 177.300 -0.219 0.000 1.208 62 P CA -0.079 62.900 63.100 -0.203 0.000 0.777 62 P CB 1.589 33.088 31.700 -0.335 0.000 0.875 63 L N 2.856 123.953 121.223 -0.211 0.000 2.581 63 L HA 0.203 4.543 4.340 0.001 0.000 0.241 63 L C 0.445 177.292 176.870 -0.038 0.000 1.265 63 L CA -0.659 54.119 54.840 -0.104 0.000 0.954 63 L CB -0.157 41.886 42.059 -0.028 0.000 1.269 63 L HN 0.407 nan 8.230 nan 0.000 0.475 64 H N 1.467 120.550 119.070 0.021 0.000 2.848 64 H HA 0.582 5.138 4.556 0.001 0.000 0.341 64 H C 0.643 175.982 175.328 0.019 0.000 1.060 64 H CA 0.138 56.198 56.048 0.020 0.000 1.444 64 H CB 1.342 31.114 29.762 0.016 0.000 1.446 64 H HN 0.604 nan 8.280 nan 0.000 0.583 65 G N 0.333 109.224 108.800 0.152 0.000 2.307 65 G HA2 0.187 4.147 3.960 0.001 0.000 0.348 65 G HA3 0.187 4.147 3.960 0.001 0.000 0.348 65 G C 0.474 175.412 174.900 0.063 0.000 1.603 65 G CA -0.290 44.860 45.100 0.083 0.000 0.961 65 G HN 0.743 nan 8.290 nan 0.000 0.686 66 G N -0.578 108.244 108.800 0.037 0.000 3.088 66 G HA2 0.475 4.436 3.960 0.001 0.000 0.217 66 G HA3 0.475 4.436 3.960 0.001 0.000 0.217 66 G C 0.429 175.332 174.900 0.005 0.000 1.159 66 G CA 1.119 46.232 45.100 0.021 0.000 0.760 66 G HN 1.096 nan 8.290 nan 0.000 0.550 67 T N -0.484 114.079 114.554 0.015 0.000 2.886 67 T HA 0.722 5.072 4.350 0.001 0.000 0.292 67 T C -0.145 174.570 174.700 0.026 0.000 1.012 67 T CA -0.132 61.973 62.100 0.008 0.000 0.982 67 T CB 2.446 71.313 68.868 -0.002 0.000 1.018 67 T HN 0.510 nan 8.240 nan 0.000 0.451 68 G N 1.232 110.050 108.800 0.030 0.000 2.451 68 G HA2 0.642 4.602 3.960 0.001 0.000 0.292 68 G HA3 0.642 4.602 3.960 0.001 0.000 0.292 68 G C -1.797 173.135 174.900 0.054 0.000 1.427 68 G CA -0.726 44.400 45.100 0.043 0.000 0.792 68 G HN 1.080 nan 8.290 nan 0.000 0.498 69 I N -2.937 117.670 120.570 0.062 0.000 3.191 69 I HA 0.999 5.170 4.170 0.001 0.000 0.313 69 I C -0.284 175.887 176.117 0.091 0.000 1.193 69 I CA -1.253 60.094 61.300 0.078 0.000 0.968 69 I CB 1.993 40.036 38.000 0.072 0.000 1.262 69 I HN 1.529 nan 8.210 nan 0.000 0.456 70 A N 1.294 124.185 122.820 0.118 0.000 2.557 70 A HA 0.841 5.161 4.320 0.001 0.000 0.292 70 A C -1.662 176.047 177.584 0.209 0.000 1.139 70 A CA -0.376 51.741 52.037 0.134 0.000 0.665 70 A CB 1.641 20.696 19.000 0.093 0.000 1.285 70 A HN 1.035 nan 8.150 nan 0.000 0.433 71 H N -1.317 117.783 119.070 0.051 0.000 3.060 71 H HA 0.625 5.182 4.556 0.001 0.000 0.330 71 H C -1.315 173.997 175.328 -0.027 0.000 1.305 71 H CA 0.525 56.584 56.048 0.019 0.000 1.209 71 H CB 1.703 31.509 29.762 0.074 0.000 1.913 71 H HN 1.552 nan 8.280 nan 0.000 0.534 72 T N 0.920 115.337 114.554 -0.229 0.000 2.991 72 T HA 0.722 5.072 4.350 0.001 0.000 0.303 72 T C -0.190 174.403 174.700 -0.178 0.000 1.015 72 T CA -0.193 61.837 62.100 -0.115 0.000 1.007 72 T CB 0.755 69.554 68.868 -0.115 0.000 1.034 72 T HN 0.832 nan 8.240 nan 0.000 0.446 73 R N -0.326 120.139 120.500 -0.058 0.000 2.732 73 R HA 0.910 5.250 4.340 0.001 0.000 0.278 73 R C -0.540 175.677 176.300 -0.139 0.000 0.976 73 R CA -0.085 55.965 56.100 -0.084 0.000 0.963 73 R CB 0.104 nan 30.300 nan 0.000 1.150 73 R HN 1.850 nan 8.270 nan 0.000 0.478 74 W N 0.345 121.545 121.300 -0.167 0.000 2.554 74 W HA 0.754 5.414 4.660 0.001 0.000 0.324 74 W C -0.238 176.196 176.519 -0.141 0.000 1.018 74 W CA -0.984 56.236 57.345 -0.208 0.000 1.243 74 W CB 0.541 29.830 29.460 -0.285 0.000 1.345 74 W HN 1.425 nan 8.180 nan 0.000 0.441 75 A N 2.367 125.119 122.820 -0.113 0.000 2.303 75 A HA 0.732 5.052 4.320 0.001 0.000 0.317 75 A C 0.762 178.304 177.584 -0.069 0.000 1.149 75 A CA 0.584 52.578 52.037 -0.073 0.000 0.822 75 A CB 1.148 20.119 19.000 -0.047 0.000 1.131 75 A HN 0.918 nan 8.150 nan 0.000 0.493 76 T N 0.385 114.909 114.554 -0.049 0.000 3.087 76 T HA 0.299 4.649 4.350 0.001 0.000 0.237 76 T C 1.120 175.801 174.700 -0.031 0.000 0.990 76 T CA 1.390 63.464 62.100 -0.043 0.000 1.160 76 T CB -0.601 68.247 68.868 -0.034 0.000 0.923 76 T HN 1.007 nan 8.240 nan 0.000 0.442 77 H N 0.132 119.189 119.070 -0.021 0.000 2.481 77 H HA 0.650 5.207 4.556 0.001 0.000 0.339 77 H C 1.074 176.392 175.328 -0.017 0.000 1.131 77 H CA -0.833 55.205 56.048 -0.017 0.000 1.301 77 H CB -0.082 nan 29.762 nan 0.000 1.476 77 H HN 0.693 nan 8.280 nan 0.000 0.529 78 G N -0.764 108.026 108.800 -0.018 0.000 2.939 78 G HA2 0.299 4.259 3.960 0.001 0.000 0.278 78 G HA3 0.299 4.259 3.960 0.001 0.000 0.278 78 G C 0.386 175.276 174.900 -0.017 0.000 1.487 78 G CA 0.575 45.666 45.100 -0.016 0.000 0.935 78 G HN 2.012 nan 8.290 nan 0.000 0.553 79 E N 0.435 120.626 120.200 -0.015 0.000 2.168 79 E HA 0.587 4.937 4.350 0.001 0.000 0.254 79 E C -0.291 176.302 176.600 -0.011 0.000 1.228 79 E CA 0.432 56.824 56.400 -0.014 0.000 0.956 79 E CB -1.235 28.458 29.700 -0.011 0.000 1.031 79 E HN 1.978 nan 8.360 nan 0.000 0.441 80 P HA 0.359 nan 4.420 nan 0.000 0.263 80 P C 0.225 177.523 177.300 -0.003 0.000 1.168 80 P CA 1.098 64.192 63.100 -0.010 0.000 0.759 80 P CB 0.630 nan 31.700 nan 0.000 0.782 81 S N 0.171 115.873 115.700 0.002 0.000 2.651 81 S HA 0.410 4.880 4.470 0.001 0.000 0.279 81 S C 0.843 175.450 174.600 0.011 0.000 1.148 81 S CA 0.054 58.257 58.200 0.005 0.000 0.837 81 S CB 1.814 65.016 63.200 0.003 0.000 1.138 81 S HN 0.602 nan 8.310 nan 0.000 0.478 82 E N 0.668 120.875 120.200 0.011 0.000 2.442 82 E HA 0.188 4.539 4.350 0.001 0.000 0.195 82 E C 1.631 178.240 176.600 0.015 0.000 1.030 82 E CA 0.791 57.200 56.400 0.016 0.000 0.869 82 E CB -0.131 29.577 29.700 0.014 0.000 0.857 82 E HN 0.645 nan 8.360 nan 0.000 0.505 83 V N 0.322 120.242 119.914 0.010 0.000 3.041 83 V HA -0.128 3.992 4.120 0.001 0.000 0.260 83 V C 1.412 177.511 176.094 0.009 0.000 1.105 83 V CA 1.946 64.249 62.300 0.005 0.000 1.125 83 V CB -0.373 31.449 31.823 -0.000 0.000 0.730 83 V HN 0.161 nan 8.190 nan 0.000 0.479 84 N N 0.176 118.889 118.700 0.021 0.000 2.236 84 N HA 0.464 5.205 4.740 0.001 0.000 0.196 84 N C 0.738 176.302 175.510 0.091 0.000 1.114 84 N CA 0.494 53.569 53.050 0.041 0.000 0.859 84 N CB 0.496 39.004 38.487 0.035 0.000 0.982 84 N HN 0.613 nan 8.380 nan 0.000 0.493 85 A N 0.776 123.641 122.820 0.075 0.000 2.386 85 A HA 0.140 4.461 4.320 0.001 0.000 0.248 85 A C -0.290 177.389 177.584 0.159 0.000 1.082 85 A CA -0.019 52.081 52.037 0.106 0.000 0.789 85 A CB 0.145 19.183 19.000 0.065 0.000 1.025 85 A HN 0.286 nan 8.150 nan 0.000 0.490 86 H N 1.099 120.126 119.070 -0.072 0.000 2.482 86 H HA 0.311 4.868 4.556 0.001 0.000 0.344 86 H C -2.199 173.116 175.328 -0.022 0.000 1.151 86 H CA -1.760 54.221 56.048 -0.113 0.000 1.300 86 H CB 1.113 30.673 29.762 -0.336 0.000 1.494 86 H HN 0.462 nan 8.280 nan 0.000 0.542 87 P HA 0.148 nan 4.420 nan 0.000 0.276 87 P C -0.538 176.694 177.300 -0.113 0.000 1.252 87 P CA -0.060 63.015 63.100 -0.042 0.000 0.802 87 P CB 0.399 32.093 31.700 -0.010 0.000 1.035 88 H N -0.660 118.281 119.070 -0.215 0.000 2.488 88 H HA 0.600 5.156 4.556 0.001 0.000 0.322 88 H C -0.181 175.066 175.328 -0.135 0.000 1.078 88 H CA -0.922 55.020 56.048 -0.177 0.000 1.260 88 H CB 0.557 30.177 29.762 -0.236 0.000 1.425 88 H HN 0.525 nan 8.280 nan 0.000 0.471 89 V N 0.506 120.360 119.914 -0.100 0.000 2.532 89 V HA 0.868 4.989 4.120 0.001 0.000 0.295 89 V C 0.513 176.545 176.094 -0.102 0.000 1.041 89 V CA 0.067 62.313 62.300 -0.091 0.000 0.926 89 V CB 1.189 32.976 31.823 -0.059 0.000 0.992 89 V HN 1.451 nan 8.190 nan 0.000 0.457 90 S N 2.112 117.733 115.700 -0.133 0.000 2.143 90 S HA 0.760 5.231 4.470 0.001 0.000 0.188 90 S C 0.647 175.139 174.600 -0.180 0.000 1.431 90 S CA 1.114 59.227 58.200 -0.145 0.000 1.253 90 S CB -0.210 nan 63.200 nan 0.000 1.137 90 S HN 2.293 nan 8.310 nan 0.000 0.457 91 E N 1.127 121.269 120.200 -0.096 0.000 2.842 91 E HA -0.316 4.034 4.350 0.001 0.000 0.353 91 E C 1.152 177.745 176.600 -0.011 0.000 1.387 91 E CA 1.682 58.067 56.400 -0.025 0.000 1.150 91 E CB -2.375 nan 29.700 nan 0.000 1.709 91 E HN 1.467 nan 8.360 nan 0.000 0.544 92 H N 1.122 120.183 119.070 -0.016 0.000 2.448 92 H HA 0.321 4.877 4.556 0.001 0.000 0.292 92 H C 1.542 176.860 175.328 -0.016 0.000 1.035 92 H CA 0.935 56.975 56.048 -0.014 0.000 1.349 92 H CB -0.200 29.555 29.762 -0.011 0.000 1.425 92 H HN 0.621 nan 8.280 nan 0.000 0.539 93 I N 3.437 123.789 120.570 -0.362 0.000 2.471 93 I HA 0.127 4.297 4.170 0.001 0.000 0.294 93 I C 0.629 176.671 176.117 -0.125 0.000 1.123 93 I CA 0.065 61.233 61.300 -0.219 0.000 1.336 93 I CB 0.136 37.965 38.000 -0.286 0.000 1.430 93 I HN 0.062 nan 8.210 nan 0.000 0.533 94 V N 7.700 127.574 119.914 -0.067 0.000 2.481 94 V HA 0.670 4.791 4.120 0.001 0.000 0.286 94 V C -0.010 176.051 176.094 -0.054 0.000 1.042 94 V CA -0.411 61.855 62.300 -0.055 0.000 0.928 94 V CB 2.073 33.882 31.823 -0.023 0.000 0.986 94 V HN 0.411 nan 8.190 nan 0.000 0.462 95 V N 5.222 125.088 119.914 -0.079 0.000 2.623 95 V HA 0.674 4.794 4.120 0.001 0.000 0.304 95 V C -0.189 175.841 176.094 -0.107 0.000 1.054 95 V CA -0.716 61.532 62.300 -0.086 0.000 0.882 95 V CB 1.628 33.373 31.823 -0.131 0.000 1.002 95 V HN 1.162 nan 8.190 nan 0.000 0.424 96 V N 1.612 121.522 119.914 -0.007 0.000 2.667 96 V HA 0.864 4.985 4.120 0.001 0.000 0.308 96 V C -0.660 175.563 176.094 0.215 0.000 1.048 96 V CA -0.307 62.049 62.300 0.093 0.000 0.928 96 V CB 1.819 33.807 31.823 0.275 0.000 1.004 96 V HN 1.134 nan 8.190 nan 0.000 0.444 97 H N 2.129 121.300 119.070 0.168 0.000 2.996 97 H HA 0.616 5.172 4.556 0.001 0.000 0.368 97 H C -2.074 173.464 175.328 0.351 0.000 1.185 97 H CA -0.911 55.256 56.048 0.199 0.000 1.160 97 H CB 2.247 32.042 29.762 0.056 0.000 1.820 97 H HN 0.713 nan 8.280 nan 0.000 0.547 98 N N 0.724 119.334 118.700 -0.149 0.000 2.258 98 N HA 0.623 5.363 4.740 0.001 0.000 0.299 98 N C -0.105 175.242 175.510 -0.271 0.000 1.047 98 N CA 0.811 53.709 53.050 -0.254 0.000 0.814 98 N CB 2.204 40.634 38.487 -0.095 0.000 1.413 98 N HN 1.145 nan 8.380 nan 0.000 0.478 99 G N 0.197 108.843 108.800 -0.256 0.000 2.440 99 G HA2 -0.062 3.899 3.960 0.001 0.000 0.684 99 G HA3 -0.062 3.899 3.960 0.001 0.000 0.684 99 G C -1.039 173.861 174.900 0.000 0.000 1.309 99 G CA -0.916 44.133 45.100 -0.084 0.000 0.931 99 G HN 0.519 nan 8.290 nan 0.000 0.612 100 I N -0.285 120.317 120.570 0.054 0.000 3.276 100 I HA 0.582 4.752 4.170 0.001 0.000 0.306 100 I C 0.216 176.405 176.117 0.119 0.000 1.060 100 I CA -1.116 60.238 61.300 0.089 0.000 1.133 100 I CB 0.836 38.867 38.000 0.051 0.000 1.473 100 I HN 0.438 nan 8.210 nan 0.000 0.649 101 I N 3.621 124.244 120.570 0.088 0.000 2.714 101 I HA 0.143 4.314 4.170 0.001 0.000 0.276 101 I C 0.950 177.087 176.117 0.033 0.000 1.196 101 I CA -0.261 61.072 61.300 0.055 0.000 1.068 101 I CB 0.311 38.330 38.000 0.030 0.000 1.291 101 I HN 0.740 nan 8.210 nan 0.000 0.530 102 E N 2.704 122.922 120.200 0.031 0.000 2.455 102 E HA -0.097 4.253 4.350 0.001 0.000 0.202 102 E C 0.850 177.459 176.600 0.015 0.000 1.045 102 E CA 1.448 57.863 56.400 0.024 0.000 0.872 102 E CB -0.708 29.008 29.700 0.025 0.000 0.792 102 E HN 0.793 nan 8.360 nan 0.000 0.542 103 N N -1.427 117.279 118.700 0.010 0.000 2.727 103 N HA 0.495 5.235 4.740 0.001 0.000 0.252 103 N C 0.318 175.825 175.510 -0.005 0.000 1.283 103 N CA 0.521 53.572 53.050 0.002 0.000 0.782 103 N CB -0.481 38.007 38.487 0.001 0.000 1.199 103 N HN 0.689 nan 8.380 nan 0.000 0.520 104 H N -1.832 117.235 119.070 -0.006 0.000 2.740 104 H HA 0.606 5.162 4.556 0.001 0.000 0.265 104 H C 1.397 176.716 175.328 -0.015 0.000 0.978 104 H CA 1.450 57.489 56.048 -0.015 0.000 1.198 104 H CB 0.101 nan 29.762 nan 0.000 1.467 104 H HN 0.877 nan 8.280 nan 0.000 0.511 105 E N 0.235 120.429 120.200 -0.010 0.000 2.496 105 E HA 0.546 4.897 4.350 0.001 0.000 0.202 105 E C -0.888 175.706 176.600 -0.010 0.000 1.021 105 E CA 0.317 56.711 56.400 -0.011 0.000 1.015 105 E CB -0.653 nan 29.700 nan 0.000 1.102 105 E HN 0.814 nan 8.360 nan 0.000 0.452 106 P HA 0.596 nan 4.420 nan 0.000 0.501 106 P C 1.019 178.311 177.300 -0.013 0.000 1.067 106 P CA 1.081 64.175 63.100 -0.011 0.000 2.185 106 P CB 0.688 nan 31.700 nan 0.000 1.236 107 L N -1.000 120.213 121.223 -0.017 0.000 2.928 107 L HA 0.760 5.100 4.340 0.001 0.000 0.246 107 L C 1.902 178.756 176.870 -0.027 0.000 1.239 107 L CA 1.215 56.042 54.840 -0.021 0.000 1.035 107 L CB -1.347 nan 42.059 nan 0.000 1.360 107 L HN 0.428 nan 8.230 nan 0.000 0.529 108 R N -1.355 119.129 120.500 -0.025 0.000 2.350 108 R HA 0.436 4.777 4.340 0.001 0.000 0.199 108 R C 1.998 178.284 176.300 -0.024 0.000 0.876 108 R CA 1.684 57.767 56.100 -0.029 0.000 1.062 108 R CB -0.533 29.749 30.300 -0.030 0.000 1.263 108 R HN 0.850 nan 8.270 nan 0.000 0.641 109 E N 0.486 120.675 120.200 -0.019 0.000 2.285 109 E HA 0.058 4.409 4.350 0.001 0.000 0.194 109 E C 1.950 178.541 176.600 -0.015 0.000 0.997 109 E CA 1.441 57.832 56.400 -0.016 0.000 0.845 109 E CB -0.550 nan 29.700 nan 0.000 0.782 109 E HN 0.835 nan 8.360 nan 0.000 0.491 110 E N -0.688 119.502 120.200 -0.015 0.000 2.276 110 E HA 0.466 4.817 4.350 0.001 0.000 0.193 110 E C 2.197 178.787 176.600 -0.016 0.000 0.983 110 E CA 0.989 57.380 56.400 -0.014 0.000 0.861 110 E CB -0.598 29.095 29.700 -0.013 0.000 0.817 110 E HN 1.030 nan 8.360 nan 0.000 0.485 111 L N -0.388 120.824 121.223 -0.020 0.000 2.463 111 L HA 0.598 4.939 4.340 0.001 0.000 0.219 111 L C 2.726 179.582 176.870 -0.023 0.000 1.088 111 L CA 1.673 56.499 54.840 -0.023 0.000 0.849 111 L CB -1.236 40.806 42.059 -0.029 0.000 1.012 111 L HN 0.612 nan 8.230 nan 0.000 0.468 112 K N 0.301 120.687 120.400 -0.023 0.000 2.005 112 K HA 0.490 4.810 4.320 0.001 0.000 0.206 112 K C 1.914 178.504 176.600 -0.017 0.000 1.044 112 K CA 1.003 57.277 56.287 -0.021 0.000 0.942 112 K CB -1.206 nan 32.500 nan 0.000 0.727 112 K HN 1.432 nan 8.250 nan 0.000 0.439 113 A N 0.844 123.655 122.820 -0.015 0.000 3.004 113 A HA 0.474 4.795 4.320 0.001 0.000 0.254 113 A C 1.130 178.707 177.584 -0.011 0.000 1.857 113 A CA 1.035 53.064 52.037 -0.012 0.000 1.460 113 A CB -1.377 nan 19.000 nan 0.000 0.963 113 A HN 1.270 nan 8.150 nan 0.000 0.624 114 R N -1.318 119.175 120.500 -0.012 0.000 2.496 114 R HA 0.413 4.753 4.340 0.001 0.000 0.090 114 R C 1.161 177.454 176.300 -0.010 0.000 0.510 114 R CA 1.189 57.283 56.100 -0.010 0.000 0.732 114 R CB -1.373 nan 30.300 nan 0.000 1.004 114 R HN 2.211 nan 8.270 nan 0.000 0.562 115 G N -2.535 106.259 108.800 -0.011 0.000 3.638 115 G HA2 0.352 4.312 3.960 0.001 0.000 0.196 115 G HA3 0.352 4.312 3.960 0.001 0.000 0.196 115 G C 0.939 175.831 174.900 -0.014 0.000 1.315 115 G CA 0.517 45.610 45.100 -0.010 0.000 0.944 115 G HN 1.860 nan 8.290 nan 0.000 0.434 116 Y N 1.772 122.061 120.300 -0.019 0.000 2.480 116 Y HA 0.546 5.096 4.550 0.001 0.000 0.338 116 Y C 0.765 176.650 175.900 -0.025 0.000 1.220 116 Y CA 0.797 58.882 58.100 -0.025 0.000 1.430 116 Y CB 0.231 nan 38.460 nan 0.000 1.311 116 Y HN 0.536 nan 8.280 nan 0.000 0.575 117 T N 3.129 117.667 114.554 -0.026 0.000 2.833 117 T HA 0.558 4.909 4.350 0.001 0.000 0.297 117 T C -0.395 174.286 174.700 -0.031 0.000 1.015 117 T CA 0.100 62.185 62.100 -0.025 0.000 0.963 117 T CB -0.155 68.701 68.868 -0.019 0.000 0.955 117 T HN 1.246 nan 8.240 nan 0.000 0.449 118 F N 1.844 121.774 119.950 -0.034 0.000 2.412 118 F HA 0.526 5.053 4.527 0.001 0.000 0.348 118 F C 1.346 177.126 175.800 -0.033 0.000 1.102 118 F CA -1.395 56.580 58.000 -0.041 0.000 1.196 118 F CB 0.140 nan 39.000 nan 0.000 1.144 118 F HN 0.688 nan 8.300 nan 0.000 0.541 119 V N 0.636 120.529 119.914 -0.035 0.000 3.563 119 V HA 0.393 4.514 4.120 0.001 0.000 0.299 119 V C 0.433 176.512 176.094 -0.025 0.000 1.290 119 V CA 0.383 62.666 62.300 -0.027 0.000 1.201 119 V CB -2.065 29.744 31.823 -0.025 0.000 1.045 119 V HN 1.631 nan 8.190 nan 0.000 0.425 120 S N -1.532 114.150 115.700 -0.029 0.000 2.755 120 S HA 0.742 5.212 4.470 0.001 0.000 0.286 120 S C 0.074 174.658 174.600 -0.028 0.000 1.207 120 S CA 0.279 58.464 58.200 -0.025 0.000 0.892 120 S CB 1.443 64.628 63.200 -0.026 0.000 1.240 120 S HN 0.766 nan 8.310 nan 0.000 0.525 121 E N -0.329 119.858 120.200 -0.022 0.000 2.714 121 E HA 0.465 4.816 4.350 0.001 0.000 0.219 121 E C 0.500 177.087 176.600 -0.020 0.000 0.979 121 E CA 0.213 56.600 56.400 -0.022 0.000 1.092 121 E CB 0.083 29.775 29.700 -0.013 0.000 1.049 121 E HN 0.880 nan 8.360 nan 0.000 0.487 122 T N -1.284 113.255 114.554 -0.025 0.000 2.663 122 T HA 0.296 4.646 4.350 0.001 0.000 0.325 122 T C 1.394 176.051 174.700 -0.072 0.000 1.059 122 T CA 1.208 63.297 62.100 -0.018 0.000 1.039 122 T CB 0.472 69.326 68.868 -0.024 0.000 0.996 122 T HN 0.424 nan 8.240 nan 0.000 0.539 123 D N -0.144 120.200 120.400 -0.093 0.000 2.213 123 D HA -0.006 4.634 4.640 0.001 0.000 0.205 123 D C 2.183 178.151 176.300 -0.554 0.000 0.961 123 D CA 1.422 55.243 54.000 -0.299 0.000 0.853 123 D CB -1.094 nan 40.800 nan 0.000 0.967 123 D HN 0.741 nan 8.370 nan 0.000 0.496 124 T N -0.269 113.930 114.554 -0.592 0.000 2.788 124 T HA 0.086 4.437 4.350 0.001 0.000 0.268 124 T C 2.390 176.886 174.700 -0.341 0.000 1.044 124 T CA 2.092 63.857 62.100 -0.558 0.000 1.139 124 T CB -0.441 68.009 68.868 -0.697 0.000 0.867 124 T HN 0.690 nan 8.240 nan 0.000 0.454 125 E N 1.201 121.250 120.200 -0.252 0.000 2.047 125 E HA -0.052 4.299 4.350 0.001 0.000 0.191 125 E C 2.452 178.960 176.600 -0.153 0.000 0.987 125 E CA 1.329 57.624 56.400 -0.174 0.000 0.799 125 E CB -1.275 28.349 29.700 -0.127 0.000 0.752 125 E HN 0.437 nan 8.360 nan 0.000 0.449 126 V N 0.963 120.786 119.914 -0.151 0.000 2.469 126 V HA -0.229 3.891 4.120 0.001 0.000 0.251 126 V C 2.969 178.992 176.094 -0.119 0.000 1.064 126 V CA 2.129 64.357 62.300 -0.119 0.000 1.066 126 V CB -1.047 30.715 31.823 -0.101 0.000 0.667 126 V HN 0.750 nan 8.190 nan 0.000 0.461 127 I N 0.208 120.684 120.570 -0.155 0.000 2.110 127 I HA -0.024 4.147 4.170 0.001 0.000 0.236 127 I C 2.773 178.821 176.117 -0.114 0.000 1.068 127 I CA 2.407 63.630 61.300 -0.128 0.000 1.333 127 I CB -1.703 36.209 38.000 -0.146 0.000 1.054 127 I HN 0.356 nan 8.210 nan 0.000 0.402 128 A N 0.014 122.752 122.820 -0.136 0.000 1.915 128 A HA -0.307 4.014 4.320 0.001 0.000 0.220 128 A C 2.172 179.680 177.584 -0.126 0.000 1.198 128 A CA 3.056 55.013 52.037 -0.132 0.000 0.647 128 A CB -1.898 17.014 19.000 -0.147 0.000 0.825 128 A HN 1.908 nan 8.150 nan 0.000 0.456 129 H N -2.366 116.638 119.070 -0.110 0.000 2.660 129 H HA 0.643 5.200 4.556 0.001 0.000 0.310 129 H C 1.158 176.444 175.328 -0.070 0.000 1.080 129 H CA 0.676 56.669 56.048 -0.091 0.000 1.145 129 H CB -0.093 29.622 29.762 -0.079 0.000 1.432 129 H HN 0.400 nan 8.280 nan 0.000 0.542 130 L N -1.424 119.757 121.223 -0.070 0.000 2.854 130 L HA 0.365 4.705 4.340 0.001 0.000 0.249 130 L C 2.662 179.506 176.870 -0.045 0.000 1.091 130 L CA 1.227 56.037 54.840 -0.050 0.000 0.935 130 L CB 0.190 42.222 42.059 -0.045 0.000 1.367 130 L HN 0.329 nan 8.230 nan 0.000 0.524 131 V N -0.044 119.835 119.914 -0.058 0.000 2.220 131 V HA -0.337 3.783 4.120 0.001 0.000 0.246 131 V C 2.162 178.226 176.094 -0.050 0.000 1.049 131 V CA 2.765 65.035 62.300 -0.050 0.000 1.003 131 V CB -0.991 30.793 31.823 -0.064 0.000 0.634 131 V HN 0.590 nan 8.190 nan 0.000 0.444 132 N N 0.020 118.661 118.700 -0.098 0.000 2.073 132 N HA -0.291 4.450 4.740 0.001 0.000 0.199 132 N C 1.519 177.019 175.510 -0.016 0.000 1.023 132 N CA 3.210 56.196 53.050 -0.107 0.000 0.880 132 N CB -0.320 38.069 38.487 -0.162 0.000 1.052 132 N HN 0.871 nan 8.380 nan 0.000 0.449 133 W N 0.510 121.797 121.300 -0.022 0.000 3.043 133 W HA 0.515 5.175 4.660 0.001 0.000 0.435 133 W C 1.632 178.151 176.519 -0.001 0.000 0.851 133 W CA 0.519 57.861 57.345 -0.005 0.000 2.031 133 W CB -1.307 28.145 29.460 -0.013 0.000 0.919 133 W HN 0.543 nan 8.180 nan 0.000 0.796 134 E N -1.852 118.352 120.200 0.006 0.000 2.646 134 E HA 0.337 4.687 4.350 0.001 0.000 0.207 134 E C 1.672 178.285 176.600 0.022 0.000 0.922 134 E CA 0.753 57.158 56.400 0.009 0.000 1.482 134 E CB -0.437 29.263 29.700 -0.000 0.000 1.509 134 E HN 1.148 nan 8.360 nan 0.000 0.831 135 L N 0.112 121.361 121.223 0.043 0.000 2.509 135 L HA 0.681 5.021 4.340 0.001 0.000 0.222 135 L C 2.624 179.535 176.870 0.068 0.000 1.123 135 L CA 2.002 56.884 54.840 0.069 0.000 0.856 135 L CB -1.240 40.900 42.059 0.135 0.000 0.985 135 L HN 0.624 nan 8.230 nan 0.000 0.456 136 K N -0.948 119.488 120.400 0.059 0.000 2.284 136 K HA 0.272 4.593 4.320 0.001 0.000 0.198 136 K C 2.228 178.841 176.600 0.022 0.000 1.048 136 K CA 1.485 57.798 56.287 0.043 0.000 0.987 136 K CB -0.918 nan 32.500 nan 0.000 0.800 136 K HN 0.861 nan 8.250 nan 0.000 0.486 137 Q N -0.085 119.726 119.800 0.017 0.000 2.119 137 Q HA 0.316 4.657 4.340 0.001 0.000 0.201 137 Q C 1.611 177.617 176.000 0.009 0.000 0.972 137 Q CA 1.581 57.390 55.803 0.010 0.000 0.847 137 Q CB -0.729 nan 28.738 nan 0.000 0.903 137 Q HN 1.977 nan 8.270 nan 0.000 0.433 138 G N -1.646 107.162 108.800 0.014 0.000 2.860 138 G HA2 0.438 4.399 3.960 0.001 0.000 0.547 138 G HA3 0.438 4.399 3.960 0.001 0.000 0.547 138 G C 0.297 175.201 174.900 0.007 0.000 1.103 138 G CA 0.235 45.341 45.100 0.010 0.000 1.126 138 G HN 1.437 nan 8.290 nan 0.000 0.490 139 G N 0.129 108.934 108.800 0.009 0.000 3.198 139 G HA2 1.008 4.969 3.960 0.001 0.000 0.166 139 G HA3 1.008 4.969 3.960 0.001 0.000 0.166 139 G C 0.259 175.163 174.900 0.007 0.000 1.134 139 G CA 1.026 46.130 45.100 0.006 0.000 0.941 139 G HN 1.780 nan 8.290 nan 0.000 0.639 140 T N -2.215 112.344 114.554 0.007 0.000 2.929 140 T HA 0.540 4.891 4.350 0.001 0.000 0.284 140 T C 1.891 176.598 174.700 0.013 0.000 1.014 140 T CA 0.411 62.515 62.100 0.008 0.000 1.051 140 T CB 1.161 70.031 68.868 0.005 0.000 1.028 140 T HN 1.545 nan 8.240 nan 0.000 0.485 141 L N -0.119 121.113 121.223 0.015 0.000 2.450 141 L HA 0.177 4.518 4.340 0.001 0.000 0.225 141 L C 2.995 179.873 176.870 0.013 0.000 1.145 141 L CA 2.461 57.313 54.840 0.020 0.000 0.801 141 L CB -2.589 39.483 42.059 0.021 0.000 0.924 141 L HN 1.097 nan 8.230 nan 0.000 0.447 142 R N -1.010 119.496 120.500 0.010 0.000 2.191 142 R HA 0.394 4.734 4.340 0.001 0.000 0.196 142 R C 2.227 178.531 176.300 0.007 0.000 0.991 142 R CA 1.695 57.800 56.100 0.008 0.000 1.075 142 R CB -1.055 29.248 30.300 0.006 0.000 1.040 142 R HN 0.864 nan 8.270 nan 0.000 0.526 143 E N 0.461 120.665 120.200 0.007 0.000 2.358 143 E HA 0.372 4.723 4.350 0.001 0.000 0.195 143 E C 2.125 178.729 176.600 0.006 0.000 1.010 143 E CA 1.202 57.605 56.400 0.006 0.000 0.856 143 E CB -0.349 29.355 29.700 0.005 0.000 0.795 143 E HN 0.801 nan 8.360 nan 0.000 0.504 144 A N 0.043 122.867 122.820 0.007 0.000 1.911 144 A HA 0.210 4.530 4.320 0.001 0.000 0.212 144 A C 2.595 180.181 177.584 0.003 0.000 1.189 144 A CA 1.132 53.172 52.037 0.006 0.000 0.639 144 A CB -0.185 nan 19.000 nan 0.000 0.839 144 A HN 0.378 nan 8.150 nan 0.000 0.449 145 V N 0.274 120.190 119.914 0.003 0.000 2.392 145 V HA -0.253 3.868 4.120 0.001 0.000 0.249 145 V C 2.870 178.966 176.094 0.002 0.000 1.059 145 V CA 2.067 64.367 62.300 0.001 0.000 1.051 145 V CB -1.029 30.796 31.823 0.003 0.000 0.658 145 V HN 0.622 nan 8.190 nan 0.000 0.455 146 L N -0.494 120.731 121.223 0.004 0.000 2.610 146 L HA 0.338 4.678 4.340 0.001 0.000 0.232 146 L C 2.421 179.294 176.870 0.004 0.000 1.149 146 L CA 1.855 56.698 54.840 0.006 0.000 0.872 146 L CB -1.862 nan 42.059 nan 0.000 0.992 146 L HN 0.524 nan 8.230 nan 0.000 0.447 147 R N -1.445 119.057 120.500 0.003 0.000 2.419 147 R HA 0.679 5.020 4.340 0.001 0.000 0.235 147 R C 2.231 178.531 176.300 -0.001 0.000 0.899 147 R CA 1.396 57.497 56.100 0.001 0.000 1.048 147 R CB -0.730 29.571 30.300 0.001 0.000 1.182 147 R HN 0.891 nan 8.270 nan 0.000 0.544 148 A N 1.111 123.930 122.820 -0.003 0.000 1.898 148 A HA 0.153 4.474 4.320 0.001 0.000 0.214 148 A C 1.988 179.569 177.584 -0.005 0.000 1.183 148 A CA 1.356 53.389 52.037 -0.008 0.000 0.622 148 A CB -0.065 18.928 19.000 -0.013 0.000 0.824 148 A HN 0.324 nan 8.150 nan 0.000 0.444 149 I N -0.221 120.349 120.570 -0.001 0.000 2.546 149 I HA -0.058 4.112 4.170 0.001 0.000 0.255 149 I C 0.681 176.801 176.117 0.005 0.000 1.163 149 I CA 1.238 62.540 61.300 0.004 0.000 1.457 149 I CB -2.489 35.516 38.000 0.009 0.000 1.092 149 I HN 0.252 nan 8.210 nan 0.000 0.434 150 P HA -0.037 nan 4.420 nan 0.000 0.230 150 P C 1.222 178.524 177.300 0.004 0.000 1.158 150 P CA 2.110 65.213 63.100 0.005 0.000 0.769 150 P CB -0.337 nan 31.700 nan 0.000 0.807 151 Q N -1.966 117.835 119.800 0.001 0.000 2.127 151 Q HA 0.507 4.848 4.340 0.001 0.000 0.222 151 Q C 0.955 176.954 176.000 -0.002 0.000 0.794 151 Q CA -0.078 55.725 55.803 -0.000 0.000 1.010 151 Q CB -0.446 28.290 28.738 -0.003 0.000 1.170 151 Q HN 0.456 nan 8.270 nan 0.000 0.479 152 L N 0.078 121.301 121.223 0.000 0.000 2.598 152 L HA 0.849 5.190 4.340 0.001 0.000 0.202 152 L C 0.841 177.715 176.870 0.006 0.000 1.190 152 L CA -0.112 54.728 54.840 0.001 0.000 0.869 152 L CB 0.875 42.935 42.059 0.002 0.000 1.529 152 L HN 0.556 nan 8.230 nan 0.000 0.520 153 R N -0.822 119.684 120.500 0.011 0.000 2.643 153 R HA 0.626 4.966 4.340 0.001 0.000 0.269 153 R C -0.219 176.094 176.300 0.023 0.000 1.037 153 R CA -0.160 55.949 56.100 0.015 0.000 0.894 153 R CB 0.535 nan 30.300 nan 0.000 1.238 153 R HN 1.236 nan 8.270 nan 0.000 0.459 154 G N -0.452 108.362 108.800 0.025 0.000 2.587 154 G HA2 0.429 4.389 3.960 0.001 0.000 0.212 154 G HA3 0.429 4.389 3.960 0.001 0.000 0.212 154 G C 0.135 175.056 174.900 0.034 0.000 1.327 154 G CA 0.006 45.124 45.100 0.031 0.000 0.898 154 G HN 2.250 nan 8.290 nan 0.000 0.551 155 A N -0.558 122.284 122.820 0.036 0.000 2.394 155 A HA 1.009 5.329 4.320 0.001 0.000 0.333 155 A C -0.033 177.576 177.584 0.041 0.000 1.397 155 A CA 0.986 53.043 52.037 0.034 0.000 0.884 155 A CB -0.319 18.695 19.000 0.024 0.000 1.147 155 A HN 2.502 nan 8.150 nan 0.000 0.505 156 Y N -0.239 120.092 120.300 0.053 0.000 2.644 156 Y HA 0.823 5.373 4.550 0.001 0.000 0.338 156 Y C 0.111 176.050 175.900 0.065 0.000 1.119 156 Y CA -1.293 56.850 58.100 0.072 0.000 1.060 156 Y CB 1.436 39.990 38.460 0.158 0.000 1.294 156 Y HN 1.420 nan 8.280 nan 0.000 0.472 157 G N 0.847 109.689 108.800 0.070 0.000 2.744 157 G HA2 0.597 4.557 3.960 0.001 0.000 0.286 157 G HA3 0.597 4.557 3.960 0.001 0.000 0.286 157 G C -0.847 174.114 174.900 0.101 0.000 1.497 157 G CA -0.078 45.059 45.100 0.062 0.000 1.070 157 G HN 1.423 nan 8.290 nan 0.000 0.539 158 T N 0.628 115.242 114.554 0.099 0.000 2.921 158 T HA 0.572 4.922 4.350 0.001 0.000 0.297 158 T C -0.815 173.928 174.700 0.072 0.000 1.013 158 T CA -0.380 61.790 62.100 0.116 0.000 0.990 158 T CB 1.614 70.547 68.868 0.110 0.000 1.023 158 T HN 0.449 nan 8.240 nan 0.000 0.447 159 V N 6.630 126.591 119.914 0.078 0.000 2.394 159 V HA 0.557 4.678 4.120 0.001 0.000 0.282 159 V C -0.090 176.023 176.094 0.032 0.000 1.031 159 V CA -0.685 61.647 62.300 0.053 0.000 0.881 159 V CB 1.093 32.954 31.823 0.064 0.000 0.982 159 V HN 0.818 nan 8.190 nan 0.000 0.451 160 I N 5.870 126.449 120.570 0.015 0.000 2.389 160 I HA 0.556 4.726 4.170 0.001 0.000 0.288 160 I C -0.253 175.864 176.117 -0.000 0.000 0.999 160 I CA -0.267 61.031 61.300 -0.004 0.000 1.129 160 I CB 1.625 39.618 38.000 -0.012 0.000 1.288 160 I HN 0.613 nan 8.210 nan 0.000 0.444 161 M N 6.546 126.143 119.600 -0.005 0.000 2.106 161 M HA 0.379 4.859 4.480 0.001 0.000 0.288 161 M C -1.628 174.678 176.300 0.010 0.000 0.941 161 M CA -0.531 54.773 55.300 0.006 0.000 0.934 161 M CB 1.515 34.121 32.600 0.011 0.000 1.551 161 M HN 0.455 nan 8.290 nan 0.000 0.437 162 D N 4.194 124.613 120.400 0.032 0.000 2.411 162 D HA 0.319 4.960 4.640 0.001 0.000 0.225 162 D C 0.912 177.253 176.300 0.068 0.000 1.156 162 D CA 0.279 54.326 54.000 0.079 0.000 0.874 162 D CB 1.561 42.440 40.800 0.130 0.000 1.034 162 D HN 0.879 nan 8.370 nan 0.000 0.502 163 S N 3.812 119.554 115.700 0.069 0.000 2.584 163 S HA -0.118 4.352 4.470 0.001 0.000 0.240 163 S C 1.651 176.275 174.600 0.040 0.000 0.975 163 S CA 0.687 58.916 58.200 0.048 0.000 0.949 163 S CB -0.138 63.088 63.200 0.044 0.000 0.761 163 S HN 0.512 nan 8.310 nan 0.000 0.536 164 R N -0.577 119.948 120.500 0.041 0.000 2.280 164 R HA 0.162 4.502 4.340 0.001 0.000 0.195 164 R C 0.621 176.920 176.300 -0.001 0.000 0.935 164 R CA 0.808 56.910 56.100 0.003 0.000 1.033 164 R CB -0.072 30.202 30.300 -0.044 0.000 0.964 164 R HN 0.607 nan 8.270 nan 0.000 0.489 165 H N 1.198 120.275 119.070 0.011 0.000 2.488 165 H HA 0.259 4.815 4.556 0.001 0.000 0.237 165 H C -2.390 172.943 175.328 0.008 0.000 1.395 165 H CA -1.893 54.158 56.048 0.006 0.000 1.491 165 H CB 0.390 30.155 29.762 0.004 0.000 1.567 165 H HN -0.027 nan 8.280 nan 0.000 0.508 166 P HA 0.106 nan 4.420 nan 0.000 0.245 166 P C 0.803 178.100 177.300 -0.005 0.000 1.212 166 P CA 1.325 64.428 63.100 0.005 0.000 0.774 166 P CB -0.325 31.380 31.700 0.008 0.000 0.999 167 D N -1.112 119.283 120.400 -0.008 0.000 2.328 167 D HA 0.118 4.758 4.640 0.001 0.000 0.221 167 D C 0.229 176.516 176.300 -0.021 0.000 1.072 167 D CA 0.444 54.433 54.000 -0.017 0.000 0.850 167 D CB -0.059 nan 40.800 nan 0.000 0.922 167 D HN 0.082 nan 8.370 nan 0.000 0.516 168 T N -0.005 114.540 114.554 -0.015 0.000 3.011 168 T HA 0.540 4.890 4.350 0.001 0.000 0.303 168 T C -0.703 173.992 174.700 -0.009 0.000 0.997 168 T CA -0.352 61.740 62.100 -0.013 0.000 1.007 168 T CB 1.667 70.531 68.868 -0.006 0.000 1.017 168 T HN 0.246 nan 8.240 nan 0.000 0.443 169 L N 3.208 124.423 121.223 -0.013 0.000 2.334 169 L HA 0.667 5.008 4.340 0.001 0.000 0.272 169 L C -0.819 176.051 176.870 -0.001 0.000 1.020 169 L CA -1.210 53.627 54.840 -0.006 0.000 0.812 169 L CB 1.363 43.416 42.059 -0.010 0.000 1.264 169 L HN 0.226 nan 8.230 nan 0.000 0.439 170 L N 1.499 122.725 121.223 0.005 0.000 2.354 170 L HA 0.859 5.200 4.340 0.001 0.000 0.269 170 L C -0.463 176.415 176.870 0.013 0.000 1.005 170 L CA -0.353 54.492 54.840 0.008 0.000 0.819 170 L CB 1.814 43.877 42.059 0.007 0.000 1.311 170 L HN 0.777 nan 8.230 nan 0.000 0.423 171 A N 2.407 125.236 122.820 0.016 0.000 2.549 171 A HA 0.949 5.269 4.320 0.001 0.000 0.297 171 A C -1.437 176.160 177.584 0.022 0.000 1.061 171 A CA -0.098 51.953 52.037 0.022 0.000 0.690 171 A CB 1.909 20.923 19.000 0.023 0.000 1.287 171 A HN 0.943 nan 8.150 nan 0.000 0.402 172 A N -0.021 122.815 122.820 0.027 0.000 2.572 172 A HA 1.029 5.350 4.320 0.001 0.000 0.295 172 A C -0.328 177.275 177.584 0.032 0.000 1.072 172 A CA 0.034 52.087 52.037 0.027 0.000 0.691 172 A CB 1.429 20.443 19.000 0.024 0.000 1.291 172 A HN 2.419 nan 8.150 nan 0.000 0.404 173 R N -0.076 120.442 120.500 0.030 0.000 2.569 173 R HA 0.767 5.107 4.340 0.001 0.000 0.293 173 R C -0.223 176.096 176.300 0.031 0.000 1.186 173 R CA 0.390 56.509 56.100 0.031 0.000 0.956 173 R CB 0.385 30.701 30.300 0.026 0.000 1.196 173 R HN 2.324 nan 8.270 nan 0.000 0.444 174 S N -0.533 115.186 115.700 0.032 0.000 2.809 174 S HA 0.546 5.016 4.470 0.001 0.000 0.248 174 S C 1.100 175.718 174.600 0.030 0.000 1.071 174 S CA 0.503 58.721 58.200 0.030 0.000 1.059 174 S CB 0.187 63.404 63.200 0.028 0.000 0.923 174 S HN 1.798 nan 8.310 nan 0.000 0.516 175 G N 0.037 108.854 108.800 0.029 0.000 4.180 175 G HA2 0.341 4.301 3.960 0.001 0.000 0.166 175 G HA3 0.341 4.301 3.960 0.001 0.000 0.166 175 G C 0.136 175.047 174.900 0.019 0.000 0.816 175 G CA 0.819 45.934 45.100 0.025 0.000 0.880 175 G HN 1.126 nan 8.290 nan 0.000 0.399 176 S N 1.459 117.168 115.700 0.016 0.000 2.570 176 S HA 0.742 5.213 4.470 0.001 0.000 0.286 176 S C -2.966 171.637 174.600 0.005 0.000 1.099 176 S CA -1.103 57.099 58.200 0.004 0.000 0.913 176 S CB 2.164 65.356 63.200 -0.013 0.000 1.085 176 S HN 0.105 nan 8.310 nan 0.000 0.480 177 P HA 0.272 nan 4.420 nan 0.000 0.260 177 P C -0.669 176.614 177.300 -0.028 0.000 1.172 177 P CA 0.230 63.329 63.100 -0.003 0.000 0.760 177 P CB -0.365 31.331 31.700 -0.007 0.000 0.773 178 L N 4.069 125.269 121.223 -0.039 0.000 2.431 178 L HA 0.707 5.047 4.340 0.001 0.000 0.266 178 L C -0.716 176.071 176.870 -0.138 0.000 0.978 178 L CA -1.168 53.635 54.840 -0.063 0.000 0.822 178 L CB 2.015 nan 42.059 nan 0.000 1.310 178 L HN 0.327 nan 8.230 nan 0.000 0.409 179 V N 4.094 123.900 119.914 -0.179 0.000 2.524 179 V HA 0.663 4.784 4.120 0.001 0.000 0.297 179 V C -0.268 175.787 176.094 -0.065 0.000 1.035 179 V CA -0.432 61.696 62.300 -0.286 0.000 0.867 179 V CB 1.476 32.895 31.823 -0.673 0.000 1.004 179 V HN 0.809 nan 8.190 nan 0.000 0.426 180 I N 5.924 126.493 120.570 -0.001 0.000 2.496 180 I HA 0.471 4.642 4.170 0.001 0.000 0.285 180 I C 1.087 177.320 176.117 0.193 0.000 1.080 180 I CA 0.640 61.993 61.300 0.088 0.000 1.404 180 I CB 1.042 39.074 38.000 0.054 0.000 1.403 180 I HN 0.671 nan 8.210 nan 0.000 0.539 181 G N 7.087 116.027 108.800 0.232 0.000 2.335 181 G HA2 0.580 4.541 3.960 0.001 0.000 0.316 181 G HA3 0.580 4.541 3.960 0.001 0.000 0.316 181 G C -0.526 174.408 174.900 0.057 0.000 1.129 181 G CA -0.654 44.495 45.100 0.083 0.000 0.899 181 G HN 0.457 nan 8.290 nan 0.000 0.448 182 L N 3.008 124.171 121.223 -0.099 0.000 2.283 182 L HA 0.445 4.786 4.340 0.001 0.000 0.287 182 L C 1.090 177.964 176.870 0.006 0.000 1.073 182 L CA -0.470 54.351 54.840 -0.030 0.000 0.822 182 L CB 0.942 42.974 42.059 -0.045 0.000 1.186 182 L HN 0.572 nan 8.230 nan 0.000 0.436 183 G N 2.240 111.090 108.800 0.083 0.000 2.461 183 G HA2 0.581 4.541 3.960 0.001 0.000 0.329 183 G HA3 0.581 4.541 3.960 0.001 0.000 0.329 183 G C 0.011 174.933 174.900 0.037 0.000 1.170 183 G CA -0.615 44.553 45.100 0.113 0.000 0.935 183 G HN 0.519 nan 8.290 nan 0.000 0.492 184 M N 0.949 120.571 119.600 0.037 0.000 2.821 184 M HA 0.543 5.023 4.480 0.001 0.000 0.305 184 M C 1.465 177.772 176.300 0.011 0.000 1.466 184 M CA 0.396 55.706 55.300 0.016 0.000 1.526 184 M CB -0.868 nan 32.600 nan 0.000 1.321 184 M HN 2.475 nan 8.290 nan 0.000 0.492 185 G N 0.904 109.698 108.800 -0.009 0.000 2.141 185 G HA2 -0.121 3.839 3.960 0.001 0.000 0.242 185 G HA3 -0.121 3.839 3.960 0.001 0.000 0.242 185 G C -0.213 174.658 174.900 -0.047 0.000 0.982 185 G CA 0.369 45.456 45.100 -0.022 0.000 0.662 185 G HN 1.760 nan 8.290 nan 0.000 0.527 186 E N -0.648 119.511 120.200 -0.069 0.000 2.390 186 E HA 0.680 5.030 4.350 0.001 0.000 0.277 186 E C -1.550 174.883 176.600 -0.277 0.000 0.939 186 E CA -1.246 55.034 56.400 -0.200 0.000 0.769 186 E CB 1.505 31.082 29.700 -0.205 0.000 1.251 186 E HN -0.007 nan 8.360 nan 0.000 0.450 187 N N 1.143 119.554 118.700 -0.482 0.000 2.249 187 N HA 0.500 5.241 4.740 0.001 0.000 0.296 187 N C -1.647 173.485 175.510 -0.629 0.000 1.051 187 N CA -0.391 52.439 53.050 -0.367 0.000 0.815 187 N CB 1.353 39.740 38.487 -0.167 0.000 1.487 187 N HN 0.363 nan 8.380 nan 0.000 0.475 188 F N 0.826 120.775 119.950 -0.001 0.000 2.613 188 F HA 0.671 5.198 4.527 0.001 0.000 0.342 188 F C 0.289 176.110 175.800 0.035 0.000 1.066 188 F CA -0.882 57.131 58.000 0.022 0.000 1.002 188 F CB 1.680 40.701 39.000 0.035 0.000 1.319 188 F HN 0.160 nan 8.300 nan 0.000 0.495 189 I N 0.416 121.135 120.570 0.249 0.000 2.841 189 I HA 0.768 4.938 4.170 0.001 0.000 0.298 189 I C -1.732 174.455 176.117 0.115 0.000 1.304 189 I CA -0.416 60.968 61.300 0.140 0.000 1.019 189 I CB 1.839 39.883 38.000 0.073 0.000 1.282 189 I HN 0.764 nan 8.210 nan 0.000 0.432 190 A N 3.101 125.951 122.820 0.051 0.000 2.599 190 A HA 0.551 4.871 4.320 0.001 0.000 0.290 190 A C 0.056 177.610 177.584 -0.051 0.000 1.101 190 A CA 0.125 52.164 52.037 0.004 0.000 0.674 190 A CB 1.215 20.217 19.000 0.003 0.000 1.277 190 A HN 0.802 nan 8.150 nan 0.000 0.419 191 S N -0.661 115.001 115.700 -0.064 0.000 2.470 191 S HA 0.227 4.697 4.470 0.001 0.000 0.225 191 S C 0.159 174.700 174.600 -0.098 0.000 1.006 191 S CA 1.292 59.445 58.200 -0.079 0.000 0.934 191 S CB -0.173 62.974 63.200 -0.089 0.000 0.778 191 S HN 0.796 nan 8.310 nan 0.000 0.517 192 D N 0.266 120.603 120.400 -0.106 0.000 2.990 192 D HA 0.225 4.866 4.640 0.001 0.000 0.227 192 D C 0.790 176.995 176.300 -0.158 0.000 1.249 192 D CA -0.595 53.340 54.000 -0.109 0.000 0.891 192 D CB 1.551 42.326 40.800 -0.041 0.000 1.647 192 D HN 0.116 nan 8.370 nan 0.000 0.530 193 Q N 2.305 121.935 119.800 -0.282 0.000 2.234 193 Q HA -0.165 4.175 4.340 0.001 0.000 0.206 193 Q C 1.412 177.251 176.000 -0.269 0.000 0.980 193 Q CA 0.943 56.428 55.803 -0.530 0.000 0.869 193 Q CB -0.156 28.015 28.738 -0.944 0.000 0.912 193 Q HN 0.485 nan 8.270 nan 0.000 0.436 194 L N 1.250 122.400 121.223 -0.121 0.000 2.129 194 L HA -0.221 4.119 4.340 0.001 0.000 0.212 194 L C 2.549 179.423 176.870 0.007 0.000 1.087 194 L CA 1.857 56.681 54.840 -0.027 0.000 0.757 194 L CB -0.726 41.345 42.059 0.020 0.000 0.896 194 L HN 0.414 nan 8.230 nan 0.000 0.434 195 A N -0.905 121.914 122.820 -0.001 0.000 1.908 195 A HA -0.163 4.157 4.320 0.001 0.000 0.218 195 A C 2.084 179.678 177.584 0.016 0.000 1.181 195 A CA 1.894 53.938 52.037 0.012 0.000 0.627 195 A CB -0.649 18.355 19.000 0.006 0.000 0.818 195 A HN 0.455 nan 8.150 nan 0.000 0.445 196 L N -0.720 120.537 121.223 0.058 0.000 2.585 196 L HA 0.162 4.502 4.340 0.001 0.000 0.226 196 L C 1.842 178.757 176.870 0.074 0.000 1.113 196 L CA -0.162 54.708 54.840 0.050 0.000 0.876 196 L CB -0.215 41.985 42.059 0.234 0.000 1.072 196 L HN 0.279 nan 8.230 nan 0.000 0.468 197 L N 0.655 121.954 121.223 0.128 0.000 2.187 197 L HA -0.157 4.183 4.340 0.001 0.000 0.213 197 L C -0.166 176.726 176.870 0.037 0.000 1.100 197 L CA 1.207 56.125 54.840 0.129 0.000 0.765 197 L CB -1.505 40.616 42.059 0.104 0.000 0.904 197 L HN 0.305 nan 8.230 nan 0.000 0.437 198 P HA -0.108 nan 4.420 nan 0.000 0.223 198 P C 1.577 178.831 177.300 -0.078 0.000 1.151 198 P CA 1.000 64.081 63.100 -0.033 0.000 0.787 198 P CB 0.079 31.759 31.700 -0.033 0.000 0.788 199 V N -6.246 113.573 119.914 -0.159 0.000 3.431 199 V HA 0.277 4.398 4.120 0.001 0.000 0.253 199 V C 0.733 176.724 176.094 -0.171 0.000 1.184 199 V CA 0.879 63.044 62.300 -0.225 0.000 1.104 199 V CB 0.044 31.553 31.823 -0.524 0.000 0.799 199 V HN 0.050 nan 8.190 nan 0.000 0.462 200 T N -0.808 113.651 114.554 -0.158 0.000 2.840 200 T HA 0.646 4.996 4.350 0.001 0.000 0.317 200 T C -0.019 174.600 174.700 -0.136 0.000 1.401 200 T CA 0.352 62.346 62.100 -0.176 0.000 1.028 200 T CB 2.092 70.795 68.868 -0.274 0.000 1.317 200 T HN 0.527 nan 8.240 nan 0.000 0.495 201 R N 0.144 120.552 120.500 -0.153 0.000 2.535 201 R HA 0.692 5.032 4.340 0.001 0.000 0.323 201 R C 0.688 176.870 176.300 -0.197 0.000 0.979 201 R CA 0.760 56.850 56.100 -0.017 0.000 1.120 201 R CB -0.420 29.931 30.300 0.084 0.000 1.306 201 R HN 0.978 nan 8.270 nan 0.000 0.540 202 R N 0.700 120.902 120.500 -0.498 0.000 2.229 202 R HA 0.780 5.120 4.340 0.001 0.000 0.332 202 R C -1.074 174.861 176.300 -0.608 0.000 0.989 202 R CA -0.504 55.382 56.100 -0.356 0.000 0.842 202 R CB -0.442 29.765 30.300 -0.156 0.000 1.119 202 R HN 0.355 nan 8.270 nan 0.000 0.456 203 F N 1.463 121.488 119.950 0.125 0.000 2.532 203 F HA 0.611 5.139 4.527 0.001 0.000 0.321 203 F C 0.404 176.298 175.800 0.157 0.000 1.089 203 F CA -1.309 56.761 58.000 0.117 0.000 0.926 203 F CB 2.258 41.331 39.000 0.122 0.000 1.168 203 F HN 0.346 nan 8.300 nan 0.000 0.459 204 I N 2.789 123.509 120.570 0.249 0.000 2.353 204 I HA 0.229 4.399 4.170 0.001 0.000 0.293 204 I C -0.942 175.250 176.117 0.126 0.000 0.992 204 I CA -0.424 61.003 61.300 0.210 0.000 1.268 204 I CB 1.004 39.075 38.000 0.119 0.000 1.387 204 I HN 0.449 nan 8.210 nan 0.000 0.478 205 F N 6.682 126.690 119.950 0.097 0.000 2.350 205 F HA 0.366 4.893 4.527 0.001 0.000 0.365 205 F C 0.278 176.107 175.800 0.048 0.000 1.122 205 F CA -0.432 57.606 58.000 0.064 0.000 1.139 205 F CB 0.766 39.793 39.000 0.045 0.000 1.220 205 F HN 0.241 nan 8.300 nan 0.000 0.499 206 L N 2.905 124.181 121.223 0.087 0.000 2.464 206 L HA 0.446 4.787 4.340 0.001 0.000 0.264 206 L C 0.726 177.649 176.870 0.087 0.000 1.199 206 L CA 0.141 55.025 54.840 0.073 0.000 0.818 206 L CB 0.507 42.584 42.059 0.030 0.000 1.102 206 L HN 0.698 nan 8.230 nan 0.000 0.473 207 E N 0.234 120.475 120.200 0.069 0.000 2.664 207 E HA 0.593 4.944 4.350 0.001 0.000 0.245 207 E C -0.020 176.608 176.600 0.048 0.000 1.016 207 E CA -0.008 56.430 56.400 0.064 0.000 0.963 207 E CB 0.116 29.851 29.700 0.058 0.000 1.360 207 E HN 0.642 nan 8.360 nan 0.000 0.472 208 E N -0.261 119.963 120.200 0.041 0.000 1.852 208 E HA 0.469 4.819 4.350 0.001 0.000 0.276 208 E C 0.741 177.359 176.600 0.029 0.000 1.163 208 E CA -0.058 56.362 56.400 0.034 0.000 1.117 208 E CB -0.859 nan 29.700 nan 0.000 1.124 208 E HN 2.178 nan 8.360 nan 0.000 0.458 209 G N 1.651 110.468 108.800 0.029 0.000 2.468 209 G HA2 -0.035 3.925 3.960 0.001 0.000 0.143 209 G HA3 -0.035 3.925 3.960 0.001 0.000 0.143 209 G C -0.627 174.288 174.900 0.025 0.000 1.065 209 G CA -0.295 44.820 45.100 0.025 0.000 0.776 209 G HN 0.506 nan 8.290 nan 0.000 0.486 210 D N -0.208 120.208 120.400 0.027 0.000 2.440 210 D HA 0.657 5.297 4.640 0.001 0.000 0.239 210 D C 0.561 176.875 176.300 0.024 0.000 1.084 210 D CA 0.667 54.684 54.000 0.028 0.000 0.843 210 D CB 1.274 42.094 40.800 0.034 0.000 1.097 210 D HN 1.020 nan 8.370 nan 0.000 0.531 211 I N 0.665 121.247 120.570 0.021 0.000 2.359 211 I HA 0.839 5.009 4.170 0.001 0.000 0.294 211 I C -0.005 176.122 176.117 0.017 0.000 0.987 211 I CA -0.991 60.320 61.300 0.018 0.000 1.225 211 I CB 1.371 39.380 38.000 0.015 0.000 1.366 211 I HN 0.560 nan 8.210 nan 0.000 0.466 212 A N 4.139 126.969 122.820 0.016 0.000 2.375 212 A HA 0.793 5.114 4.320 0.001 0.000 0.291 212 A C -0.015 177.574 177.584 0.009 0.000 1.160 212 A CA 0.145 52.190 52.037 0.014 0.000 0.747 212 A CB 0.184 19.194 19.000 0.017 0.000 1.170 212 A HN 2.017 nan 8.150 nan 0.000 0.458 213 E N 1.850 122.054 120.200 0.006 0.000 2.316 213 E HA 0.568 4.919 4.350 0.001 0.000 0.275 213 E C -0.720 175.878 176.600 -0.005 0.000 1.029 213 E CA 0.011 56.412 56.400 0.001 0.000 0.871 213 E CB 0.424 30.124 29.700 0.001 0.000 1.022 213 E HN 0.668 nan 8.360 nan 0.000 0.418 214 I N 2.798 123.360 120.570 -0.012 0.000 2.517 214 I HA 0.267 4.438 4.170 0.001 0.000 0.280 214 I C 0.368 176.461 176.117 -0.041 0.000 1.061 214 I CA -0.588 60.697 61.300 -0.025 0.000 1.091 214 I CB 2.188 40.174 38.000 -0.024 0.000 1.205 214 I HN 0.646 nan 8.210 nan 0.000 0.459 215 T N 0.670 115.198 114.554 -0.043 0.000 2.881 215 T HA 0.482 4.832 4.350 0.001 0.000 0.278 215 T C 1.620 176.273 174.700 -0.078 0.000 0.982 215 T CA -0.073 61.997 62.100 -0.051 0.000 0.989 215 T CB 1.375 70.222 68.868 -0.035 0.000 1.058 215 T HN 0.608 nan 8.240 nan 0.000 0.529 216 R N 0.155 120.605 120.500 -0.083 0.000 2.153 216 R HA -0.001 4.339 4.340 0.001 0.000 0.252 216 R C 2.099 178.354 176.300 -0.075 0.000 1.158 216 R CA 2.458 58.501 56.100 -0.096 0.000 0.975 216 R CB -1.939 28.320 30.300 -0.069 0.000 0.871 216 R HN 1.138 nan 8.270 nan 0.000 0.450 217 R N 0.139 120.608 120.500 -0.051 0.000 2.795 217 R HA 0.576 4.917 4.340 0.001 0.000 0.320 217 R C 0.217 176.500 176.300 -0.028 0.000 1.223 217 R CA 0.396 56.475 56.100 -0.036 0.000 1.305 217 R CB -0.896 29.389 30.300 -0.026 0.000 1.318 217 R HN 1.506 nan 8.270 nan 0.000 0.636 218 S N -1.994 113.688 115.700 -0.031 0.000 2.735 218 S HA 0.399 4.870 4.470 0.001 0.000 0.276 218 S C -1.676 172.912 174.600 -0.019 0.000 0.957 218 S CA -0.004 58.184 58.200 -0.020 0.000 0.933 218 S CB 0.722 63.914 63.200 -0.013 0.000 1.182 218 S HN 0.828 nan 8.310 nan 0.000 0.459 219 V N 1.490 121.399 119.914 -0.008 0.000 2.569 219 V HA 0.811 4.931 4.120 0.001 0.000 0.301 219 V C 0.184 176.281 176.094 0.005 0.000 1.044 219 V CA 0.156 62.455 62.300 -0.002 0.000 0.874 219 V CB 1.307 33.133 31.823 0.005 0.000 1.002 219 V HN 1.409 nan 8.190 nan 0.000 0.424 220 N N 2.550 121.253 118.700 0.005 0.000 2.372 220 N HA 0.875 5.615 4.740 0.001 0.000 0.285 220 N C -0.563 174.954 175.510 0.012 0.000 1.008 220 N CA 0.275 53.331 53.050 0.009 0.000 0.880 220 N CB 1.893 40.384 38.487 0.006 0.000 1.239 220 N HN 1.146 nan 8.380 nan 0.000 0.484 221 I N -0.562 120.018 120.570 0.016 0.000 2.474 221 I HA 0.948 5.119 4.170 0.001 0.000 0.294 221 I C 0.264 176.393 176.117 0.019 0.000 1.005 221 I CA -1.493 59.819 61.300 0.019 0.000 1.113 221 I CB 0.285 38.300 38.000 0.026 0.000 1.289 221 I HN 1.126 nan 8.210 nan 0.000 0.436 222 F N 2.258 122.218 119.950 0.018 0.000 2.458 222 F HA 0.795 5.322 4.527 0.001 0.000 0.330 222 F C 0.342 176.153 175.800 0.018 0.000 1.082 222 F CA -0.502 57.507 58.000 0.016 0.000 0.995 222 F CB 0.095 nan 39.000 nan 0.000 1.170 222 F HN 1.270 nan 8.300 nan 0.000 0.478 223 D N 1.035 121.445 120.400 0.017 0.000 2.348 223 D HA 0.483 5.124 4.640 0.001 0.000 0.272 223 D C 1.687 177.996 176.300 0.016 0.000 1.237 223 D CA 0.788 54.798 54.000 0.017 0.000 1.042 223 D CB -0.249 nan 40.800 nan 0.000 1.117 223 D HN 1.253 nan 8.370 nan 0.000 0.548 224 K N -1.560 118.850 120.400 0.016 0.000 2.026 224 K HA 0.221 4.542 4.320 0.001 0.000 0.208 224 K C 2.198 178.805 176.600 0.012 0.000 1.048 224 K CA 2.620 58.916 56.287 0.015 0.000 0.929 224 K CB -1.726 nan 32.500 nan 0.000 0.713 224 K HN 1.076 nan 8.250 nan 0.000 0.439 225 T N -0.828 113.732 114.554 0.011 0.000 4.893 225 T HA 0.448 4.799 4.350 0.001 0.000 0.358 225 T C 1.935 176.641 174.700 0.010 0.000 1.100 225 T CA 1.135 63.241 62.100 0.010 0.000 0.912 225 T CB -0.634 nan 68.868 nan 0.000 1.794 225 T HN 0.386 nan 8.240 nan 0.000 0.457 226 G N 0.014 108.819 108.800 0.009 0.000 2.471 226 G HA2 0.423 4.383 3.960 0.001 0.000 0.211 226 G HA3 0.423 4.383 3.960 0.001 0.000 0.211 226 G C 1.021 175.927 174.900 0.009 0.000 1.194 226 G CA 0.854 45.959 45.100 0.008 0.000 0.816 226 G HN 1.077 nan 8.290 nan 0.000 0.545 227 A N 1.258 124.084 122.820 0.009 0.000 2.537 227 A HA 0.518 4.838 4.320 0.001 0.000 0.260 227 A C 0.788 178.379 177.584 0.011 0.000 1.082 227 A CA 0.717 52.760 52.037 0.010 0.000 0.765 227 A CB -0.867 nan 19.000 nan 0.000 1.019 227 A HN 0.894 nan 8.150 nan 0.000 0.507 228 E N 0.655 120.862 120.200 0.012 0.000 2.478 228 E HA 0.433 4.784 4.350 0.001 0.000 0.262 228 E C 0.201 176.810 176.600 0.016 0.000 1.243 228 E CA 0.696 57.105 56.400 0.014 0.000 1.039 228 E CB -0.067 nan 29.700 nan 0.000 0.983 228 E HN 2.447 nan 8.360 nan 0.000 0.479 229 V N -2.346 117.580 119.914 0.019 0.000 3.206 229 V HA 0.881 5.002 4.120 0.001 0.000 0.305 229 V C 0.235 176.344 176.094 0.025 0.000 1.257 229 V CA -0.548 61.764 62.300 0.021 0.000 1.057 229 V CB 1.491 nan 31.823 nan 0.000 1.075 229 V HN 1.166 nan 8.190 nan 0.000 0.443 230 K N 3.004 123.419 120.400 0.025 0.000 2.316 230 K HA 0.722 5.042 4.320 0.001 0.000 0.289 230 K C -0.165 176.457 176.600 0.038 0.000 1.070 230 K CA -0.657 55.648 56.287 0.029 0.000 0.928 230 K CB 0.423 nan 32.500 nan 0.000 1.039 230 K HN 0.718 nan 8.250 nan 0.000 0.480 231 R N 2.289 122.817 120.500 0.045 0.000 2.239 231 R HA 0.327 4.667 4.340 0.001 0.000 0.332 231 R C 0.209 176.550 176.300 0.067 0.000 0.988 231 R CA -0.578 55.559 56.100 0.062 0.000 0.859 231 R CB 0.856 31.200 30.300 0.074 0.000 1.148 231 R HN 0.873 nan 8.270 nan 0.000 0.482 232 Q N 1.896 121.736 119.800 0.066 0.000 2.263 232 Q HA 0.092 4.433 4.340 0.001 0.000 0.270 232 Q C 0.029 176.085 176.000 0.093 0.000 1.104 232 Q CA -0.090 55.752 55.803 0.065 0.000 0.909 232 Q CB -0.615 28.153 28.738 0.051 0.000 1.214 232 Q HN 0.642 nan 8.270 nan 0.000 0.400 233 D N 0.836 121.291 120.400 0.092 0.000 2.383 233 D HA 0.359 5.000 4.640 0.001 0.000 0.252 233 D C 0.133 176.503 176.300 0.118 0.000 1.166 233 D CA -0.396 53.678 54.000 0.124 0.000 0.879 233 D CB 0.464 41.319 40.800 0.091 0.000 1.164 233 D HN 0.695 nan 8.370 nan 0.000 0.462 234 I N -0.428 120.242 120.570 0.167 0.000 2.924 234 I HA 0.532 4.702 4.170 0.001 0.000 0.316 234 I C 0.972 177.187 176.117 0.164 0.000 1.014 234 I CA -1.002 60.376 61.300 0.129 0.000 1.106 234 I CB 1.420 39.471 38.000 0.085 0.000 1.311 234 I HN 0.499 nan 8.210 nan 0.000 0.502 235 E N 2.349 122.621 120.200 0.121 0.000 1.989 235 E HA 0.043 4.393 4.350 0.001 0.000 0.214 235 E C 0.074 176.813 176.600 0.231 0.000 0.915 235 E CA 1.385 57.860 56.400 0.125 0.000 1.012 235 E CB -0.172 29.576 29.700 0.080 0.000 0.865 235 E HN 0.732 nan 8.360 nan 0.000 0.577 236 S N -0.050 115.771 115.700 0.203 0.000 2.446 236 S HA 0.170 4.640 4.470 0.001 0.000 0.230 236 S C -1.392 173.284 174.600 0.127 0.000 1.051 236 S CA -0.643 57.722 58.200 0.274 0.000 1.113 236 S CB -0.495 62.885 63.200 0.300 0.000 1.184 236 S HN 0.475 nan 8.310 nan 0.000 0.435 237 N N 4.904 123.642 118.700 0.064 0.000 2.412 237 N HA 0.336 5.077 4.740 0.001 0.000 0.279 237 N C -0.311 175.200 175.510 0.002 0.000 1.287 237 N CA 0.750 53.788 53.050 -0.021 0.000 0.948 237 N CB -0.458 37.940 38.487 -0.148 0.000 1.255 237 N HN 1.034 nan 8.380 nan 0.000 0.485 238 L N -0.319 120.911 121.223 0.011 0.000 0.743 238 L HA 0.025 4.365 4.340 0.001 0.000 0.355 238 L C -0.653 176.238 176.870 0.035 0.000 1.068 238 L CA 0.863 55.711 54.840 0.014 0.000 1.220 238 L CB -1.361 40.700 42.059 0.002 0.000 0.112 238 L HN 0.477 nan 8.230 nan 0.000 0.092 239 Q N 1.522 121.339 119.800 0.028 0.000 1.596 239 Q HA 0.550 4.891 4.340 0.001 0.000 0.145 239 Q C 2.390 178.410 176.000 0.033 0.000 0.451 239 Q CA 2.027 57.853 55.803 0.038 0.000 0.764 239 Q CB -1.157 27.603 28.738 0.036 0.000 0.814 239 Q HN 2.692 nan 8.270 nan 0.000 0.190 240 Y N 2.197 122.513 120.300 0.026 0.000 1.422 240 Y HA -0.330 4.220 4.550 0.001 0.000 0.102 240 Y C 1.063 176.982 175.900 0.032 0.000 0.714 240 Y CA 3.563 61.679 58.100 0.026 0.000 0.455 240 Y CB -1.659 36.816 38.460 0.024 0.000 0.553 240 Y HN 1.173 nan 8.280 nan 0.000 0.752 241 D N -0.636 119.785 120.400 0.035 0.000 3.060 241 D HA 0.522 5.163 4.640 0.001 0.000 0.326 241 D C -0.356 175.973 176.300 0.048 0.000 1.253 241 D CA 0.216 54.240 54.000 0.041 0.000 0.737 241 D CB -0.355 40.469 40.800 0.040 0.000 1.260 241 D HN 1.358 nan 8.370 nan 0.000 0.542 242 A N 0.611 123.453 122.820 0.037 0.000 2.618 242 A HA 0.518 4.838 4.320 0.001 0.000 0.293 242 A C 1.605 179.206 177.584 0.028 0.000 1.413 242 A CA 0.788 52.839 52.037 0.022 0.000 1.074 242 A CB -0.824 18.177 19.000 0.003 0.000 1.087 242 A HN 1.058 nan 8.150 nan 0.000 0.553 243 G N 1.253 110.097 108.800 0.074 0.000 2.367 243 G HA2 -0.145 3.816 3.960 0.001 0.000 0.181 243 G HA3 -0.145 3.816 3.960 0.001 0.000 0.181 243 G C -0.046 175.031 174.900 0.295 0.000 1.000 243 G CA 0.061 45.236 45.100 0.124 0.000 0.693 243 G HN 0.706 nan 8.290 nan 0.000 0.480 244 D N 0.713 121.223 120.400 0.182 0.000 2.255 244 D HA 0.439 5.079 4.640 0.001 0.000 0.249 244 D C 1.272 177.593 176.300 0.034 0.000 1.078 244 D CA -0.290 53.773 54.000 0.104 0.000 0.896 244 D CB 1.088 41.920 40.800 0.054 0.000 1.194 244 D HN 0.225 nan 8.370 nan 0.000 0.429 245 K N 1.875 122.186 120.400 -0.148 0.000 2.305 245 K HA 0.113 4.434 4.320 0.001 0.000 0.199 245 K C 1.388 177.981 176.600 -0.013 0.000 1.047 245 K CA 0.431 56.547 56.287 -0.286 0.000 0.976 245 K CB 0.078 32.295 32.500 -0.472 0.000 0.765 245 K HN 0.700 nan 8.250 nan 0.000 0.474 246 G N 1.254 110.050 108.800 -0.008 0.000 2.596 246 G HA2 -0.441 3.520 3.960 0.001 0.000 0.304 246 G HA3 -0.441 3.520 3.960 0.001 0.000 0.304 246 G C 1.136 176.008 174.900 -0.045 0.000 1.189 246 G CA 0.846 45.953 45.100 0.013 0.000 0.986 246 G HN 0.268 nan 8.290 nan 0.000 0.548 247 I N 0.430 120.928 120.570 -0.119 0.000 3.684 247 I HA 0.614 4.784 4.170 0.001 0.000 0.304 247 I C 1.281 177.199 176.117 -0.332 0.000 1.278 247 I CA 0.931 62.068 61.300 -0.272 0.000 1.272 247 I CB -1.235 36.534 38.000 -0.386 0.000 1.029 247 I HN 0.479 nan 8.210 nan 0.000 0.458 248 Y N -0.179 120.025 120.300 -0.161 0.000 2.354 248 Y HA 0.555 5.105 4.550 0.001 0.000 0.322 248 Y C 1.822 177.599 175.900 -0.206 0.000 1.253 248 Y CA 0.151 58.144 58.100 -0.179 0.000 1.272 248 Y CB 0.822 39.175 38.460 -0.177 0.000 1.255 248 Y HN 0.208 nan 8.280 nan 0.000 0.500 249 R N 0.308 120.796 120.500 -0.021 0.000 2.153 249 R HA 0.068 4.408 4.340 0.001 0.000 0.218 249 R C -0.147 175.874 176.300 -0.465 0.000 1.072 249 R CA 1.393 57.362 56.100 -0.218 0.000 0.990 249 R CB -0.717 29.490 30.300 -0.155 0.000 0.889 249 R HN 0.725 nan 8.270 nan 0.000 0.452 250 H N -2.515 116.548 119.070 -0.012 0.000 2.894 250 H HA 0.273 4.830 4.556 0.001 0.000 0.367 250 H C -0.130 175.105 175.328 -0.156 0.000 1.144 250 H CA -1.263 54.758 56.048 -0.045 0.000 1.180 250 H CB 1.526 31.366 29.762 0.129 0.000 1.758 250 H HN 0.118 nan 8.280 nan 0.000 0.541 251 Y N 0.839 121.170 120.300 0.052 0.000 2.151 251 Y HA -0.258 4.292 4.550 0.001 0.000 0.284 251 Y C 2.829 178.648 175.900 -0.135 0.000 1.166 251 Y CA 1.570 59.626 58.100 -0.072 0.000 1.163 251 Y CB -0.018 38.399 38.460 -0.072 0.000 0.974 251 Y HN 0.556 nan 8.280 nan 0.000 0.511 252 M N -0.046 119.593 119.600 0.065 0.000 2.117 252 M HA -0.296 4.184 4.480 0.001 0.000 0.262 252 M C 2.387 178.555 176.300 -0.221 0.000 1.065 252 M CA 1.845 57.105 55.300 -0.067 0.000 1.114 252 M CB -0.208 32.369 32.600 -0.039 0.000 1.361 252 M HN 0.411 nan 8.290 nan 0.000 0.408 253 Q N 0.769 120.377 119.800 -0.319 0.000 2.030 253 Q HA -0.241 4.099 4.340 0.001 0.000 0.204 253 Q C 2.100 177.909 176.000 -0.319 0.000 0.986 253 Q CA 2.963 58.493 55.803 -0.456 0.000 0.843 253 Q CB -0.266 28.230 28.738 -0.404 0.000 0.904 253 Q HN 0.534 nan 8.270 nan 0.000 0.420 254 K N 0.895 120.911 120.400 -0.640 0.000 2.074 254 K HA -0.248 4.072 4.320 0.001 0.000 0.209 254 K C 1.657 177.907 176.600 -0.584 0.000 1.048 254 K CA 2.029 57.536 56.287 -1.300 0.000 0.926 254 K CB -0.977 30.941 32.500 -0.970 0.000 0.713 254 K HN 0.601 nan 8.250 nan 0.000 0.444 255 E N -0.648 119.368 120.200 -0.306 0.000 2.285 255 E HA 0.136 4.487 4.350 0.001 0.000 0.194 255 E C 1.978 178.488 176.600 -0.150 0.000 0.997 255 E CA 0.648 56.941 56.400 -0.179 0.000 0.845 255 E CB -0.069 29.562 29.700 -0.116 0.000 0.782 255 E HN 0.602 nan 8.360 nan 0.000 0.491 256 I N -0.209 120.254 120.570 -0.178 0.000 2.193 256 I HA -0.253 3.918 4.170 0.001 0.000 0.240 256 I C 1.510 177.494 176.117 -0.221 0.000 1.084 256 I CA 1.109 62.281 61.300 -0.214 0.000 1.365 256 I CB -0.110 37.714 38.000 -0.294 0.000 1.064 256 I HN 0.140 nan 8.210 nan 0.000 0.410 257 Y N 1.017 121.233 120.300 -0.140 0.000 2.483 257 Y HA -0.191 4.359 4.550 0.001 0.000 0.291 257 Y C 2.702 178.586 175.900 -0.026 0.000 1.143 257 Y CA 1.244 59.322 58.100 -0.036 0.000 1.289 257 Y CB -0.620 37.910 38.460 0.116 0.000 0.983 257 Y HN 0.285 nan 8.280 nan 0.000 0.556 258 E N 0.320 120.536 120.200 0.026 0.000 2.481 258 E HA -0.103 4.247 4.350 0.001 0.000 0.195 258 E C 1.619 178.216 176.600 -0.005 0.000 1.047 258 E CA 0.509 56.917 56.400 0.014 0.000 0.867 258 E CB -0.580 29.101 29.700 -0.031 0.000 0.858 258 E HN 0.640 nan 8.360 nan 0.000 0.513 259 Q N -0.155 119.626 119.800 -0.031 0.000 2.112 259 Q HA -0.133 4.208 4.340 0.001 0.000 0.206 259 Q C -0.267 175.726 176.000 -0.012 0.000 0.987 259 Q CA 2.125 57.910 55.803 -0.032 0.000 0.858 259 Q CB -0.914 27.791 28.738 -0.054 0.000 0.905 259 Q HN 0.466 nan 8.270 nan 0.000 0.420 260 P HA -0.169 nan 4.420 nan 0.000 0.214 260 P C 0.725 178.030 177.300 0.009 0.000 1.162 260 P CA 1.175 64.280 63.100 0.009 0.000 0.879 260 P CB -0.183 31.530 31.700 0.022 0.000 0.786 261 N N -0.472 118.237 118.700 0.016 0.000 2.223 261 N HA -0.166 4.574 4.740 0.001 0.000 0.185 261 N C 1.582 177.093 175.510 0.002 0.000 1.016 261 N CA 1.318 54.375 53.050 0.012 0.000 0.863 261 N CB -0.218 38.282 38.487 0.022 0.000 0.983 261 N HN -0.020 nan 8.380 nan 0.000 0.429 262 A N 1.245 124.064 122.820 -0.003 0.000 1.873 262 A HA -0.076 4.244 4.320 0.001 0.000 0.215 262 A C 2.233 179.810 177.584 -0.011 0.000 1.186 262 A CA 0.867 52.899 52.037 -0.009 0.000 0.616 262 A CB -0.594 18.397 19.000 -0.014 0.000 0.823 262 A HN 0.285 nan 8.150 nan 0.000 0.442 263 I N -0.236 120.327 120.570 -0.011 0.000 2.286 263 I HA -0.269 3.902 4.170 0.001 0.000 0.248 263 I C 2.388 178.495 176.117 -0.017 0.000 1.115 263 I CA 1.340 62.631 61.300 -0.015 0.000 1.392 263 I CB -0.205 37.787 38.000 -0.013 0.000 1.065 263 I HN 0.266 nan 8.210 nan 0.000 0.418 264 K N 0.754 121.147 120.400 -0.013 0.000 2.089 264 K HA -0.245 4.075 4.320 0.001 0.000 0.210 264 K C 1.705 178.297 176.600 -0.014 0.000 1.048 264 K CA 2.224 58.503 56.287 -0.014 0.000 0.926 264 K CB -0.571 31.924 32.500 -0.008 0.000 0.714 264 K HN 0.516 nan 8.250 nan 0.000 0.448 265 N N -0.347 118.346 118.700 -0.011 0.000 2.354 265 N HA -0.073 4.667 4.740 0.001 0.000 0.179 265 N C 1.556 177.057 175.510 -0.015 0.000 1.021 265 N CA 1.111 54.154 53.050 -0.012 0.000 0.887 265 N CB 0.009 38.491 38.487 -0.009 0.000 0.974 265 N HN 0.114 nan 8.380 nan 0.000 0.437 266 T N 1.217 115.761 114.554 -0.017 0.000 2.746 266 T HA -0.067 4.284 4.350 0.001 0.000 0.267 266 T C 1.838 176.524 174.700 -0.023 0.000 1.039 266 T CA 0.897 62.985 62.100 -0.020 0.000 1.142 266 T CB -0.212 68.642 68.868 -0.023 0.000 0.866 266 T HN 0.176 nan 8.240 nan 0.000 0.444 267 L N 0.480 121.688 121.223 -0.025 0.000 2.270 267 L HA 0.064 4.404 4.340 0.001 0.000 0.210 267 L C 1.254 178.109 176.870 -0.024 0.000 1.104 267 L CA 0.254 55.076 54.840 -0.029 0.000 0.804 267 L CB -0.885 41.154 42.059 -0.034 0.000 0.937 267 L HN 0.116 nan 8.230 nan 0.000 0.450 268 T N 0.978 115.520 114.554 -0.019 0.000 2.867 268 T HA 0.060 4.411 4.350 0.001 0.000 0.290 268 T C 1.205 175.896 174.700 -0.015 0.000 1.025 268 T CA 1.112 63.202 62.100 -0.016 0.000 1.146 268 T CB 0.332 69.193 68.868 -0.013 0.000 1.024 268 T HN 0.656 nan 8.240 nan 0.000 0.519 269 G N 3.839 112.631 108.800 -0.014 0.000 2.269 269 G HA2 -0.347 3.613 3.960 0.001 0.000 0.277 269 G HA3 -0.347 3.613 3.960 0.001 0.000 0.277 269 G C 0.800 175.692 174.900 -0.013 0.000 1.008 269 G CA 0.808 45.900 45.100 -0.012 0.000 0.774 269 G HN 0.779 nan 8.290 nan 0.000 0.511 270 R N -1.164 119.326 120.500 -0.017 0.000 2.509 270 R HA 0.329 4.670 4.340 0.001 0.000 0.297 270 R C 0.229 176.516 176.300 -0.020 0.000 0.951 270 R CA -0.245 55.844 56.100 -0.018 0.000 1.103 270 R CB 0.861 31.149 30.300 -0.021 0.000 1.283 270 R HN 0.343 nan 8.270 nan 0.000 0.534 271 I N 0.613 121.170 120.570 -0.021 0.000 2.418 271 I HA 0.291 4.462 4.170 0.001 0.000 0.287 271 I C -0.524 175.583 176.117 -0.018 0.000 1.008 271 I CA -0.320 60.967 61.300 -0.022 0.000 1.104 271 I CB 1.797 39.779 38.000 -0.030 0.000 1.264 271 I HN -0.148 nan 8.210 nan 0.000 0.438 272 S N 3.668 119.360 115.700 -0.013 0.000 2.668 272 S HA 0.506 4.977 4.470 0.001 0.000 0.277 272 S C 0.273 174.869 174.600 -0.007 0.000 1.170 272 S CA 0.207 58.401 58.200 -0.010 0.000 0.994 272 S CB 0.408 63.604 63.200 -0.006 0.000 1.051 272 S HN 1.077 nan 8.310 nan 0.000 0.484 273 H N 1.628 120.690 119.070 -0.013 0.000 2.506 273 H HA -0.113 4.444 4.556 0.001 0.000 0.323 273 H C 1.929 177.243 175.328 -0.023 0.000 1.076 273 H CA 1.556 57.594 56.048 -0.016 0.000 1.108 273 H CB -1.976 27.784 29.762 -0.004 0.000 1.569 273 H HN 2.516 nan 8.280 nan 0.000 0.399 274 G N -3.013 105.759 108.800 -0.047 0.000 2.155 274 G HA2 0.303 4.263 3.960 0.001 0.000 0.257 274 G HA3 0.303 4.263 3.960 0.001 0.000 0.257 274 G C 0.214 175.118 174.900 0.006 0.000 0.983 274 G CA 1.931 46.978 45.100 -0.088 0.000 0.676 274 G HN 2.622 nan 8.290 nan 0.000 0.528 275 Q N -0.976 118.841 119.800 0.028 0.000 2.423 275 Q HA 0.838 5.178 4.340 0.001 0.000 0.278 275 Q C -0.049 175.959 176.000 0.013 0.000 1.097 275 Q CA -0.093 55.740 55.803 0.050 0.000 0.809 275 Q CB 2.188 30.960 28.738 0.056 0.000 1.391 275 Q HN 1.230 nan 8.270 nan 0.000 0.428 276 V N 2.040 121.957 119.914 0.004 0.000 2.637 276 V HA 0.282 4.402 4.120 0.001 0.000 0.296 276 V C -0.479 175.611 176.094 -0.007 0.000 1.046 276 V CA 0.460 62.752 62.300 -0.012 0.000 1.066 276 V CB 1.586 33.393 31.823 -0.026 0.000 0.968 276 V HN 0.971 nan 8.190 nan 0.000 0.483 277 D N 5.011 125.405 120.400 -0.010 0.000 2.434 277 D HA 0.255 4.895 4.640 0.001 0.000 0.275 277 D C 0.076 176.371 176.300 -0.007 0.000 1.172 277 D CA -0.273 53.723 54.000 -0.007 0.000 0.916 277 D CB 0.562 41.358 40.800 -0.007 0.000 1.041 277 D HN 0.422 nan 8.370 nan 0.000 0.501 278 L N 2.057 123.277 121.223 -0.004 0.000 2.928 278 L HA 0.261 4.601 4.340 0.001 0.000 0.236 278 L C 2.170 179.039 176.870 -0.000 0.000 1.290 278 L CA -0.035 54.804 54.840 -0.002 0.000 1.099 278 L CB -0.209 41.851 42.059 0.001 0.000 1.437 278 L HN 0.303 nan 8.230 nan 0.000 0.493 279 S N 0.909 116.608 115.700 -0.001 0.000 2.469 279 S HA -0.188 4.283 4.470 0.001 0.000 0.238 279 S C 1.898 176.497 174.600 -0.001 0.000 0.998 279 S CA 1.339 59.539 58.200 -0.001 0.000 0.957 279 S CB -0.145 63.054 63.200 -0.001 0.000 0.764 279 S HN 0.693 nan 8.310 nan 0.000 0.514 280 E N 0.900 121.098 120.200 -0.003 0.000 2.160 280 E HA -0.155 4.196 4.350 0.001 0.000 0.195 280 E C 1.627 178.226 176.600 -0.003 0.000 0.991 280 E CA 1.096 57.494 56.400 -0.004 0.000 0.810 280 E CB -0.683 29.013 29.700 -0.006 0.000 0.742 280 E HN 0.639 nan 8.360 nan 0.000 0.466 281 L N 0.829 122.051 121.223 -0.000 0.000 2.261 281 L HA -0.049 4.291 4.340 0.001 0.000 0.216 281 L C 1.323 178.194 176.870 0.002 0.000 1.114 281 L CA 0.975 55.816 54.840 0.002 0.000 0.777 281 L CB -0.899 41.163 42.059 0.005 0.000 0.910 281 L HN 0.473 nan 8.230 nan 0.000 0.440 282 G N -1.637 107.163 108.800 0.001 0.000 2.655 282 G HA2 -0.159 3.802 3.960 0.001 0.000 0.680 282 G HA3 -0.159 3.802 3.960 0.001 0.000 0.680 282 G C -2.315 172.586 174.900 0.002 0.000 1.302 282 G CA -0.491 44.610 45.100 0.001 0.000 0.872 282 G HN -0.064 nan 8.290 nan 0.000 0.540 283 P HA -0.028 nan 4.420 nan 0.000 0.202 283 P C 1.546 178.849 177.300 0.004 0.000 1.171 283 P CA 1.184 64.286 63.100 0.003 0.000 0.925 283 P CB -0.111 31.591 31.700 0.003 0.000 0.760 284 N N -0.567 118.135 118.700 0.004 0.000 2.744 284 N HA -0.159 4.582 4.740 0.001 0.000 0.205 284 N C 1.243 176.756 175.510 0.005 0.000 1.178 284 N CA 1.117 54.170 53.050 0.004 0.000 0.963 284 N CB -0.455 38.034 38.487 0.004 0.000 0.993 284 N HN 0.217 nan 8.380 nan 0.000 0.452 285 A N 0.047 122.870 122.820 0.005 0.000 1.924 285 A HA 0.001 4.321 4.320 0.001 0.000 0.211 285 A C 1.842 179.431 177.584 0.009 0.000 1.198 285 A CA 0.536 52.577 52.037 0.007 0.000 0.657 285 A CB 0.123 19.127 19.000 0.007 0.000 0.852 285 A HN 0.042 nan 8.150 nan 0.000 0.454 286 D N 0.215 120.619 120.400 0.008 0.000 2.117 286 D HA -0.059 4.581 4.640 0.001 0.000 0.197 286 D C 2.260 178.566 176.300 0.009 0.000 0.987 286 D CA 1.739 55.745 54.000 0.009 0.000 0.829 286 D CB -0.567 40.237 40.800 0.007 0.000 0.961 286 D HN 0.575 nan 8.370 nan 0.000 0.460 287 E N 1.117 121.322 120.200 0.008 0.000 2.072 287 E HA -0.291 4.060 4.350 0.001 0.000 0.218 287 E C 2.519 179.124 176.600 0.008 0.000 1.051 287 E CA 2.815 59.219 56.400 0.007 0.000 0.880 287 E CB -1.394 nan 29.700 nan 0.000 0.783 287 E HN 0.343 nan 8.360 nan 0.000 0.473 288 L N -0.042 121.186 121.223 0.008 0.000 2.023 288 L HA 0.259 4.600 4.340 0.001 0.000 0.205 288 L C 3.135 180.011 176.870 0.010 0.000 1.073 288 L CA 2.210 57.055 54.840 0.009 0.000 0.745 288 L CB -1.437 40.626 42.059 0.007 0.000 0.900 288 L HN 0.534 nan 8.230 nan 0.000 0.435 289 L N -0.353 120.877 121.223 0.011 0.000 2.127 289 L HA -0.214 4.127 4.340 0.001 0.000 0.211 289 L C 2.900 179.780 176.870 0.018 0.000 1.089 289 L CA 1.527 56.377 54.840 0.015 0.000 0.757 289 L CB -0.801 41.272 42.059 0.022 0.000 0.899 289 L HN 0.515 nan 8.230 nan 0.000 0.434 290 S N -0.280 115.429 115.700 0.015 0.000 2.419 290 S HA -0.176 4.294 4.470 0.001 0.000 0.233 290 S C 2.119 176.728 174.600 0.015 0.000 1.016 290 S CA 1.677 59.886 58.200 0.015 0.000 0.974 290 S CB -0.096 63.111 63.200 0.012 0.000 0.786 290 S HN 0.531 nan 8.310 nan 0.000 0.492 291 K N 0.307 120.715 120.400 0.014 0.000 2.374 291 K HA 0.443 4.764 4.320 0.001 0.000 0.196 291 K C 0.453 177.063 176.600 0.017 0.000 1.023 291 K CA 0.194 56.489 56.287 0.014 0.000 1.103 291 K CB -0.437 32.070 32.500 0.012 0.000 0.848 291 K HN 0.267 nan 8.250 nan 0.000 0.528 292 V N 2.429 122.352 119.914 0.015 0.000 2.694 292 V HA -0.006 4.115 4.120 0.001 0.000 0.306 292 V C 0.777 176.884 176.094 0.021 0.000 1.054 292 V CA 0.783 63.090 62.300 0.013 0.000 1.161 292 V CB 1.114 32.936 31.823 -0.002 0.000 0.916 292 V HN 0.665 nan 8.190 nan 0.000 0.490 293 E N 1.659 121.881 120.200 0.036 0.000 2.633 293 E HA 0.177 4.527 4.350 0.001 0.000 0.222 293 E C 0.021 176.679 176.600 0.098 0.000 0.899 293 E CA -0.119 56.313 56.400 0.054 0.000 1.292 293 E CB 0.922 30.653 29.700 0.051 0.000 1.257 293 E HN 0.801 nan 8.360 nan 0.000 0.626 294 H N -0.001 119.047 119.070 -0.037 0.000 3.064 294 H HA 0.454 5.010 4.556 0.001 0.000 0.352 294 H C -1.673 173.596 175.328 -0.097 0.000 1.260 294 H CA -0.478 55.537 56.048 -0.055 0.000 1.160 294 H CB 1.479 31.220 29.762 -0.035 0.000 1.879 294 H HN -0.083 nan 8.280 nan 0.000 0.544 295 I N 2.722 122.812 120.570 -0.801 0.000 2.608 295 I HA 0.146 4.317 4.170 0.001 0.000 0.295 295 I C -0.788 174.892 176.117 -0.729 0.000 1.049 295 I CA -0.798 60.131 61.300 -0.618 0.000 1.063 295 I CB 2.376 39.990 38.000 -0.643 0.000 1.248 295 I HN 0.415 nan 8.210 nan 0.000 0.424 296 Q N 5.806 125.384 119.800 -0.371 0.000 2.327 296 Q HA 0.579 4.919 4.340 0.001 0.000 0.270 296 Q C -1.535 174.314 176.000 -0.252 0.000 1.022 296 Q CA -0.206 55.451 55.803 -0.244 0.000 0.773 296 Q CB 1.585 30.259 28.738 -0.106 0.000 1.251 296 Q HN 0.522 nan 8.270 nan 0.000 0.457 297 I N 4.692 125.129 120.570 -0.223 0.000 2.359 297 I HA 0.407 4.577 4.170 0.001 0.000 0.294 297 I C -0.598 175.430 176.117 -0.148 0.000 0.987 297 I CA -0.744 60.456 61.300 -0.167 0.000 1.225 297 I CB 1.105 39.032 38.000 -0.122 0.000 1.366 297 I HN 0.451 nan 8.210 nan 0.000 0.466 298 L N 6.240 127.377 121.223 -0.143 0.000 2.381 298 L HA 0.883 5.224 4.340 0.001 0.000 0.274 298 L C -0.317 176.539 176.870 -0.023 0.000 0.988 298 L CA -0.329 54.437 54.840 -0.123 0.000 0.824 298 L CB 1.814 43.730 42.059 -0.239 0.000 1.263 298 L HN 0.817 nan 8.230 nan 0.000 0.410 299 A N 2.385 125.235 122.820 0.049 0.000 2.483 299 A HA 0.789 5.109 4.320 0.001 0.000 0.294 299 A C -1.728 175.912 177.584 0.094 0.000 1.077 299 A CA -0.497 51.585 52.037 0.076 0.000 0.633 299 A CB 1.327 20.389 19.000 0.103 0.000 1.318 299 A HN 0.639 nan 8.150 nan 0.000 0.455 300 C N -0.743 118.606 119.300 0.080 0.000 2.889 300 C HA 0.922 5.383 4.460 0.001 0.000 0.307 300 C C 1.355 176.391 174.990 0.077 0.000 1.251 300 C CA 0.270 59.309 59.018 0.035 0.000 1.593 300 C CB 0.766 28.502 27.740 -0.006 0.000 2.104 300 C HN 2.758 nan 8.230 nan 0.000 0.476 301 G N 1.999 110.827 108.800 0.046 0.000 2.622 301 G HA2 -0.323 3.638 3.960 0.001 0.000 0.307 301 G HA3 -0.323 3.638 3.960 0.001 0.000 0.307 301 G C 0.945 175.905 174.900 0.101 0.000 1.226 301 G CA 1.052 46.182 45.100 0.050 0.000 0.997 301 G HN 0.823 nan 8.290 nan 0.000 0.551 302 T N 0.849 115.428 114.554 0.042 0.000 2.821 302 T HA 0.035 4.385 4.350 0.001 0.000 0.267 302 T C 2.766 177.573 174.700 0.178 0.000 1.046 302 T CA 2.083 64.190 62.100 0.011 0.000 1.139 302 T CB -0.384 68.448 68.868 -0.060 0.000 0.871 302 T HN 0.485 nan 8.240 nan 0.000 0.454 303 S N 0.332 116.129 115.700 0.163 0.000 2.442 303 S HA -0.084 4.386 4.470 0.001 0.000 0.236 303 S C 1.589 176.291 174.600 0.169 0.000 1.007 303 S CA 0.731 59.032 58.200 0.168 0.000 0.965 303 S CB -0.329 62.937 63.200 0.111 0.000 0.773 303 S HN 0.702 nan 8.310 nan 0.000 0.504 304 Y N 2.596 122.925 120.300 0.049 0.000 2.365 304 Y HA 0.078 4.628 4.550 0.000 0.000 0.293 304 Y C 1.746 177.671 175.900 0.041 0.000 1.119 304 Y CA 0.920 59.035 58.100 0.025 0.000 1.203 304 Y CB -0.376 38.086 38.460 0.003 0.000 1.026 304 Y HN 0.122 nan 8.280 nan 0.000 0.549 305 N N 0.265 118.960 118.700 -0.008 0.000 2.188 305 N HA -0.174 4.566 4.740 0.001 0.000 0.184 305 N C 2.143 177.708 175.510 0.091 0.000 1.018 305 N CA 1.595 54.616 53.050 -0.050 0.000 0.858 305 N CB -0.595 37.907 38.487 0.025 0.000 0.989 305 N HN 0.575 nan 8.380 nan 0.000 0.426 306 S N -0.185 115.655 115.700 0.233 0.000 2.368 306 S HA -0.028 4.443 4.470 0.001 0.000 0.224 306 S C 2.200 176.721 174.600 -0.132 0.000 1.029 306 S CA 1.258 59.418 58.200 -0.067 0.000 0.988 306 S CB -0.936 62.145 63.200 -0.199 0.000 0.838 306 S HN 0.289 nan 8.310 nan 0.000 0.462 307 G N 1.795 110.540 108.800 -0.091 0.000 2.450 307 G HA2 -0.145 3.815 3.960 0.001 0.000 0.220 307 G HA3 -0.145 3.815 3.960 0.001 0.000 0.220 307 G C 1.525 176.329 174.900 -0.160 0.000 1.130 307 G CA 1.191 46.235 45.100 -0.093 0.000 0.760 307 G HN 0.412 nan 8.290 nan 0.000 0.557 308 M N 0.193 119.626 119.600 -0.279 0.000 2.132 308 M HA -0.002 4.478 4.480 0.001 0.000 0.263 308 M C 2.818 179.055 176.300 -0.106 0.000 1.065 308 M CA 0.726 55.869 55.300 -0.261 0.000 1.122 308 M CB -0.934 31.431 32.600 -0.391 0.000 1.365 308 M HN 0.128 nan 8.290 nan 0.000 0.411 309 V N 0.817 120.617 119.914 -0.191 0.000 2.255 309 V HA -0.286 3.835 4.120 0.001 0.000 0.247 309 V C 2.589 178.341 176.094 -0.570 0.000 1.051 309 V CA 2.293 64.373 62.300 -0.365 0.000 1.018 309 V CB -1.215 30.291 31.823 -0.529 0.000 0.641 309 V HN 0.625 nan 8.190 nan 0.000 0.445 310 S N 0.355 115.778 115.700 -0.462 0.000 2.442 310 S HA -0.255 4.216 4.470 0.001 0.000 0.236 310 S C 2.042 176.705 174.600 0.105 0.000 1.007 310 S CA 1.560 59.621 58.200 -0.232 0.000 0.965 310 S CB -0.598 62.681 63.200 0.133 0.000 0.773 310 S HN 0.607 nan 8.310 nan 0.000 0.504 311 R N -0.121 120.411 120.500 0.053 0.000 2.091 311 R HA -0.125 4.215 4.340 0.001 0.000 0.238 311 R C 1.823 178.113 176.300 -0.018 0.000 1.136 311 R CA 1.757 57.881 56.100 0.041 0.000 0.959 311 R CB -0.555 29.664 30.300 -0.135 0.000 0.856 311 R HN 0.552 nan 8.270 nan 0.000 0.437 312 Y N -0.770 119.484 120.300 -0.077 0.000 2.165 312 Y HA -0.270 4.281 4.550 0.001 0.000 0.286 312 Y C 2.168 178.118 175.900 0.084 0.000 1.155 312 Y CA 1.353 59.427 58.100 -0.043 0.000 1.164 312 Y CB -0.397 37.979 38.460 -0.140 0.000 0.978 312 Y HN 0.180 nan 8.280 nan 0.000 0.513 313 W N -1.320 120.054 121.300 0.123 0.000 2.379 313 W HA -0.150 4.510 4.660 0.000 0.000 0.307 313 W C 2.114 178.591 176.519 -0.070 0.000 1.200 313 W CA 0.765 58.085 57.345 -0.040 0.000 1.297 313 W CB -1.580 27.761 29.460 -0.200 0.000 1.140 313 W HN 0.075 nan 8.180 nan 0.000 0.507 314 F N 0.804 120.887 119.950 0.221 0.000 2.234 314 F HA -0.129 4.399 4.527 0.001 0.000 0.299 314 F C 2.301 178.137 175.800 0.060 0.000 1.087 314 F CA 1.490 59.552 58.000 0.104 0.000 1.340 314 F CB -0.638 38.383 39.000 0.036 0.000 1.031 314 F HN -0.056 nan 8.300 nan 0.000 0.500 315 E N -0.618 119.723 120.200 0.234 0.000 2.086 315 E HA -0.108 4.242 4.350 0.001 0.000 0.190 315 E C 2.334 179.004 176.600 0.117 0.000 0.975 315 E CA 1.398 57.875 56.400 0.128 0.000 0.813 315 E CB -0.253 29.479 29.700 0.055 0.000 0.768 315 E HN 0.383 nan 8.360 nan 0.000 0.457 316 S N 0.616 116.401 115.700 0.142 0.000 2.406 316 S HA 0.007 4.477 4.470 0.001 0.000 0.224 316 S C 2.058 176.720 174.600 0.103 0.000 1.030 316 S CA 0.403 58.680 58.200 0.128 0.000 0.958 316 S CB -0.229 63.072 63.200 0.168 0.000 0.811 316 S HN 0.096 nan 8.310 nan 0.000 0.489 317 L N 0.546 121.832 121.223 0.105 0.000 2.269 317 L HA 0.451 4.792 4.340 0.001 0.000 0.200 317 L C 2.798 179.691 176.870 0.039 0.000 1.069 317 L CA 0.820 55.690 54.840 0.049 0.000 0.804 317 L CB -0.465 41.594 42.059 0.000 0.000 0.987 317 L HN 0.409 nan 8.230 nan 0.000 0.468 318 A N -0.145 122.715 122.820 0.067 0.000 2.195 318 A HA 0.350 4.670 4.320 0.001 0.000 0.210 318 A C 1.683 179.322 177.584 0.090 0.000 1.165 318 A CA 0.582 52.667 52.037 0.080 0.000 0.806 318 A CB -0.379 18.698 19.000 0.128 0.000 0.847 318 A HN 0.462 nan 8.150 nan 0.000 0.482 319 G N -0.233 108.624 108.800 0.095 0.000 2.283 319 G HA2 -0.251 3.709 3.960 0.001 0.000 0.280 319 G HA3 -0.251 3.709 3.960 0.001 0.000 0.280 319 G C -0.013 174.932 174.900 0.075 0.000 1.029 319 G CA 0.712 45.858 45.100 0.077 0.000 0.840 319 G HN 0.506 nan 8.290 nan 0.000 0.505 320 I N 0.596 121.225 120.570 0.099 0.000 2.359 320 I HA 0.322 4.493 4.170 0.001 0.000 0.294 320 I C -1.982 174.153 176.117 0.030 0.000 0.987 320 I CA -2.741 58.598 61.300 0.064 0.000 1.225 320 I CB 1.837 39.877 38.000 0.067 0.000 1.366 320 I HN -0.176 nan 8.210 nan 0.000 0.466 321 P HA -0.055 nan 4.420 nan 0.000 0.261 321 P C -0.931 176.275 177.300 -0.156 0.000 1.183 321 P CA -0.037 63.062 63.100 -0.003 0.000 0.761 321 P CB 0.306 32.062 31.700 0.093 0.000 0.785 322 C N 5.056 124.261 119.300 -0.157 0.000 2.551 322 C HA 0.423 4.884 4.460 0.001 0.000 0.332 322 C C -1.211 173.665 174.990 -0.190 0.000 1.139 322 C CA -0.449 58.397 59.018 -0.287 0.000 1.328 322 C CB 0.532 28.142 27.740 -0.215 0.000 1.903 322 C HN 0.564 nan 8.230 nan 0.000 0.459 323 D N 3.798 124.069 120.400 -0.216 0.000 2.350 323 D HA 0.680 5.321 4.640 0.001 0.000 0.238 323 D C -0.937 175.312 176.300 -0.085 0.000 0.989 323 D CA -0.243 53.717 54.000 -0.068 0.000 0.921 323 D CB 2.212 43.052 40.800 0.066 0.000 1.297 323 D HN 0.416 nan 8.370 nan 0.000 0.490 324 V N 0.036 119.940 119.914 -0.017 0.000 2.760 324 V HA 0.508 4.629 4.120 0.001 0.000 0.309 324 V C -0.431 175.769 176.094 0.176 0.000 1.077 324 V CA -0.730 61.580 62.300 0.017 0.000 0.910 324 V CB 2.326 34.107 31.823 -0.070 0.000 1.008 324 V HN 0.589 nan 8.190 nan 0.000 0.424 325 E N 2.289 122.621 120.200 0.220 0.000 2.335 325 E HA 0.501 4.851 4.350 0.001 0.000 0.280 325 E C -1.463 175.210 176.600 0.121 0.000 0.918 325 E CA -0.850 55.678 56.400 0.213 0.000 0.765 325 E CB 2.845 32.630 29.700 0.142 0.000 1.218 325 E HN 0.767 nan 8.360 nan 0.000 0.425 326 I N 3.492 123.976 120.570 -0.142 0.000 2.648 326 I HA 0.120 4.290 4.170 0.001 0.000 0.284 326 I C 1.140 177.228 176.117 -0.048 0.000 1.153 326 I CA 0.459 61.605 61.300 -0.256 0.000 1.426 326 I CB 1.166 38.854 38.000 -0.520 0.000 1.381 326 I HN 0.804 nan 8.210 nan 0.000 0.571 327 A N 4.515 127.322 122.820 -0.020 0.000 1.972 327 A HA -0.157 4.163 4.320 0.001 0.000 0.219 327 A C 2.161 179.765 177.584 0.033 0.000 1.169 327 A CA 1.889 53.944 52.037 0.031 0.000 0.635 327 A CB -0.999 18.004 19.000 0.005 0.000 0.810 327 A HN 0.900 nan 8.150 nan 0.000 0.446 328 S N 0.199 115.902 115.700 0.006 0.000 2.402 328 S HA -0.187 4.283 4.470 0.001 0.000 0.233 328 S C 1.575 176.229 174.600 0.090 0.000 1.030 328 S CA 1.449 59.670 58.200 0.035 0.000 1.003 328 S CB -0.256 62.957 63.200 0.022 0.000 0.813 328 S HN 0.629 nan 8.310 nan 0.000 0.477 329 E N 0.276 120.522 120.200 0.077 0.000 2.166 329 E HA 0.189 4.540 4.350 0.001 0.000 0.192 329 E C 1.626 178.292 176.600 0.110 0.000 0.967 329 E CA 0.194 56.657 56.400 0.104 0.000 0.840 329 E CB -0.332 29.412 29.700 0.073 0.000 0.795 329 E HN 0.637 nan 8.360 nan 0.000 0.470 330 F N 2.993 122.928 119.950 -0.026 0.000 2.234 330 F HA -0.132 4.395 4.527 0.000 0.000 0.299 330 F C 2.333 178.087 175.800 -0.077 0.000 1.087 330 F CA 1.415 59.397 58.000 -0.030 0.000 1.340 330 F CB 0.146 39.130 39.000 -0.027 0.000 1.031 330 F HN -0.091 nan 8.300 nan 0.000 0.500 331 R N -1.374 119.070 120.500 -0.093 0.000 2.280 331 R HA -0.125 4.216 4.340 0.001 0.000 0.207 331 R C 0.154 176.151 176.300 -0.505 0.000 1.043 331 R CA 1.458 57.355 56.100 -0.339 0.000 1.006 331 R CB -0.703 29.330 30.300 -0.445 0.000 0.885 331 R HN 0.365 nan 8.270 nan 0.000 0.467 332 Y N 1.063 121.301 120.300 -0.105 0.000 2.707 332 Y HA 0.341 4.891 4.550 0.001 0.000 0.249 332 Y C -0.296 175.535 175.900 -0.115 0.000 1.166 332 Y CA -1.187 56.857 58.100 -0.094 0.000 1.184 332 Y CB 0.474 38.904 38.460 -0.049 0.000 1.240 332 Y HN 0.039 nan 8.280 nan 0.000 0.547 333 R N -0.553 119.905 120.500 -0.070 0.000 2.668 333 R HA 0.796 5.137 4.340 0.001 0.000 0.279 333 R C -0.021 176.187 176.300 -0.153 0.000 0.976 333 R CA -1.020 55.029 56.100 -0.085 0.000 0.978 333 R CB 0.526 30.790 30.300 -0.060 0.000 1.133 333 R HN -0.062 nan 8.270 nan 0.000 0.484 334 K N 1.256 121.601 120.400 -0.092 0.000 2.315 334 K HA 0.231 4.551 4.320 0.001 0.000 0.291 334 K C -0.308 176.235 176.600 -0.094 0.000 1.074 334 K CA -0.492 55.740 56.287 -0.092 0.000 0.936 334 K CB 0.013 32.482 32.500 -0.052 0.000 1.049 334 K HN 0.747 nan 8.250 nan 0.000 0.471 335 S N 0.319 115.941 115.700 -0.130 0.000 2.509 335 S HA 0.734 5.204 4.470 0.001 0.000 0.297 335 S C 0.192 174.768 174.600 -0.039 0.000 1.118 335 S CA -0.432 57.715 58.200 -0.088 0.000 1.074 335 S CB 1.861 64.975 63.200 -0.143 0.000 1.038 335 S HN 1.071 nan 8.310 nan 0.000 0.498 336 A N 1.780 124.590 122.820 -0.016 0.000 2.396 336 A HA 0.605 4.926 4.320 0.001 0.000 0.279 336 A C 0.391 177.959 177.584 -0.027 0.000 1.165 336 A CA -0.528 51.495 52.037 -0.023 0.000 0.824 336 A CB -0.855 18.129 19.000 -0.027 0.000 1.100 336 A HN 1.471 nan 8.150 nan 0.000 0.516 337 V N 2.439 122.337 119.914 -0.027 0.000 2.479 337 V HA 0.535 4.655 4.120 0.001 0.000 0.281 337 V C 0.988 177.029 176.094 -0.088 0.000 1.031 337 V CA 0.235 62.516 62.300 -0.031 0.000 1.038 337 V CB -0.396 nan 31.823 nan 0.000 0.981 337 V HN 1.284 nan 8.190 nan 0.000 0.478 338 R N 4.226 124.614 120.500 -0.187 0.000 2.248 338 R HA 0.675 5.016 4.340 0.001 0.000 0.328 338 R C 0.741 176.974 176.300 -0.112 0.000 1.067 338 R CA 0.147 56.092 56.100 -0.258 0.000 0.924 338 R CB -0.765 nan 30.300 nan 0.000 1.013 338 R HN 2.129 nan 8.270 nan 0.000 0.454 339 R N 2.482 122.946 120.500 -0.061 0.000 2.494 339 R HA 0.048 4.388 4.340 0.001 0.000 0.291 339 R C 0.499 176.803 176.300 0.006 0.000 0.953 339 R CA 0.557 56.646 56.100 -0.019 0.000 1.098 339 R CB -0.739 nan 30.300 nan 0.000 0.911 339 R HN 1.112 nan 8.270 nan 0.000 0.407 340 N N -0.158 118.552 118.700 0.017 0.000 2.746 340 N HA -0.140 4.600 4.740 0.001 0.000 0.250 340 N C -0.680 174.861 175.510 0.052 0.000 1.055 340 N CA 1.335 54.402 53.050 0.029 0.000 0.699 340 N CB -1.102 37.400 38.487 0.025 0.000 0.919 340 N HN 0.952 nan 8.380 nan 0.000 0.548 341 S N -0.132 115.609 115.700 0.067 0.000 2.525 341 S HA 0.695 5.166 4.470 0.001 0.000 0.290 341 S C -0.206 174.428 174.600 0.055 0.000 1.152 341 S CA -0.788 57.489 58.200 0.128 0.000 1.072 341 S CB 1.184 64.514 63.200 0.217 0.000 1.027 341 S HN 0.316 nan 8.310 nan 0.000 0.500 342 L N 4.511 125.736 121.223 0.004 0.000 2.322 342 L HA 0.727 5.067 4.340 0.001 0.000 0.279 342 L C -0.478 176.348 176.870 -0.074 0.000 1.036 342 L CA -0.417 54.397 54.840 -0.043 0.000 0.807 342 L CB 1.550 43.563 42.059 -0.076 0.000 1.226 342 L HN 0.819 nan 8.230 nan 0.000 0.433 343 M N 6.195 125.757 119.600 -0.062 0.000 2.066 343 M HA 0.520 5.000 4.480 0.001 0.000 0.340 343 M C -1.568 174.675 176.300 -0.095 0.000 1.053 343 M CA 0.141 55.386 55.300 -0.091 0.000 0.983 343 M CB 0.498 33.062 32.600 -0.059 0.000 1.520 343 M HN 0.423 nan 8.290 nan 0.000 0.428 344 I N 4.888 125.383 120.570 -0.126 0.000 2.354 344 I HA 0.439 4.609 4.170 0.001 0.000 0.292 344 I C -0.051 176.019 176.117 -0.079 0.000 0.989 344 I CA -0.586 60.660 61.300 -0.090 0.000 1.188 344 I CB 1.912 39.854 38.000 -0.097 0.000 1.342 344 I HN 0.774 nan 8.210 nan 0.000 0.457 345 T N 4.992 119.518 114.554 -0.046 0.000 2.859 345 T HA 0.722 5.073 4.350 0.001 0.000 0.281 345 T C -0.605 174.092 174.700 -0.006 0.000 1.005 345 T CA -0.771 61.310 62.100 -0.032 0.000 1.025 345 T CB 1.437 70.289 68.868 -0.026 0.000 0.977 345 T HN 0.318 nan 8.240 nan 0.000 0.458 346 L N 2.739 123.966 121.223 0.007 0.000 2.325 346 L HA 0.716 5.057 4.340 0.001 0.000 0.281 346 L C -0.006 176.883 176.870 0.032 0.000 1.004 346 L CA -0.596 54.258 54.840 0.024 0.000 0.823 346 L CB 1.918 43.998 42.059 0.035 0.000 1.236 346 L HN 0.932 nan 8.230 nan 0.000 0.415 347 S N 1.907 117.624 115.700 0.028 0.000 2.562 347 S HA 0.166 4.637 4.470 0.001 0.000 0.274 347 S C 0.179 174.797 174.600 0.030 0.000 1.160 347 S CA -0.544 57.675 58.200 0.031 0.000 0.933 347 S CB 1.920 65.133 63.200 0.022 0.000 1.100 347 S HN 0.663 nan 8.310 nan 0.000 0.468 348 Q N 3.006 122.827 119.800 0.036 0.000 2.030 348 Q HA -0.101 4.239 4.340 0.001 0.000 0.204 348 Q C 1.763 177.777 176.000 0.024 0.000 0.986 348 Q CA 2.868 58.689 55.803 0.030 0.000 0.843 348 Q CB -0.617 28.141 28.738 0.033 0.000 0.904 348 Q HN 0.908 nan 8.270 nan 0.000 0.420 349 S N -1.744 113.974 115.700 0.030 0.000 2.501 349 S HA 0.192 4.662 4.470 0.001 0.000 0.220 349 S C 1.409 176.024 174.600 0.024 0.000 0.997 349 S CA 0.805 59.024 58.200 0.032 0.000 0.919 349 S CB 0.157 63.382 63.200 0.042 0.000 0.778 349 S HN 0.629 nan 8.310 nan 0.000 0.523 350 G N 2.322 111.133 108.800 0.020 0.000 2.155 350 G HA2 -0.304 3.657 3.960 0.001 0.000 0.257 350 G HA3 -0.304 3.657 3.960 0.001 0.000 0.257 350 G C 0.453 175.361 174.900 0.013 0.000 0.983 350 G CA 0.612 45.721 45.100 0.015 0.000 0.676 350 G HN 0.786 nan 8.290 nan 0.000 0.528 351 E N -0.800 119.407 120.200 0.012 0.000 2.676 351 E HA 0.110 4.460 4.350 0.001 0.000 0.225 351 E C 0.213 176.814 176.600 0.002 0.000 0.944 351 E CA 0.250 56.654 56.400 0.007 0.000 1.156 351 E CB -0.086 29.618 29.700 0.006 0.000 1.117 351 E HN 0.239 nan 8.360 nan 0.000 0.523 352 T N 2.081 116.638 114.554 0.005 0.000 2.800 352 T HA 0.102 4.453 4.350 0.001 0.000 0.283 352 T C 1.194 175.893 174.700 -0.002 0.000 0.999 352 T CA 0.699 62.800 62.100 0.002 0.000 1.176 352 T CB 1.255 70.127 68.868 0.007 0.000 0.973 352 T HN 0.349 nan 8.240 nan 0.000 0.519 353 A N 3.566 126.384 122.820 -0.005 0.000 1.929 353 A HA -0.049 4.272 4.320 0.001 0.000 0.216 353 A C 2.074 179.653 177.584 -0.009 0.000 1.176 353 A CA 0.945 52.979 52.037 -0.004 0.000 0.628 353 A CB -0.163 18.835 19.000 -0.002 0.000 0.816 353 A HN 0.753 nan 8.150 nan 0.000 0.444 354 D N -0.451 119.943 120.400 -0.010 0.000 2.123 354 D HA -0.072 4.568 4.640 0.001 0.000 0.200 354 D C 1.981 178.270 176.300 -0.019 0.000 0.976 354 D CA 1.755 55.742 54.000 -0.022 0.000 0.831 354 D CB -0.606 40.186 40.800 -0.014 0.000 0.974 354 D HN 0.366 nan 8.370 nan 0.000 0.469 355 T N 1.520 116.069 114.554 -0.008 0.000 2.684 355 T HA -0.154 4.197 4.350 0.001 0.000 0.267 355 T C 2.006 176.702 174.700 -0.006 0.000 1.036 355 T CA 0.577 62.672 62.100 -0.007 0.000 1.148 355 T CB -0.414 68.452 68.868 -0.002 0.000 0.863 355 T HN 0.021 nan 8.240 nan 0.000 0.436 356 L N 1.158 122.378 121.223 -0.004 0.000 2.079 356 L HA -0.034 4.307 4.340 0.001 0.000 0.210 356 L C 2.621 179.490 176.870 -0.002 0.000 1.081 356 L CA 1.772 56.611 54.840 -0.001 0.000 0.752 356 L CB -0.857 41.203 42.059 0.001 0.000 0.896 356 L HN 0.254 nan 8.230 nan 0.000 0.433 357 A N -0.759 122.052 122.820 -0.014 0.000 1.877 357 A HA -0.100 4.220 4.320 0.001 0.000 0.216 357 A C 2.365 179.945 177.584 -0.006 0.000 1.186 357 A CA 1.602 53.620 52.037 -0.032 0.000 0.620 357 A CB -1.578 17.371 19.000 -0.086 0.000 0.822 357 A HN 0.505 nan 8.150 nan 0.000 0.443 358 G N 0.045 108.861 108.800 0.026 0.000 2.491 358 G HA2 -0.234 3.726 3.960 0.001 0.000 0.218 358 G HA3 -0.234 3.726 3.960 0.001 0.000 0.218 358 G C 1.515 176.475 174.900 0.101 0.000 1.180 358 G CA 1.346 46.521 45.100 0.125 0.000 0.774 358 G HN 0.591 nan 8.290 nan 0.000 0.562 359 L N 0.497 121.739 121.223 0.032 0.000 2.042 359 L HA -0.002 4.338 4.340 0.001 0.000 0.210 359 L C 2.843 179.737 176.870 0.039 0.000 1.076 359 L CA 1.999 56.852 54.840 0.021 0.000 0.749 359 L CB -0.532 41.529 42.059 0.004 0.000 0.893 359 L HN 0.150 nan 8.230 nan 0.000 0.432 360 R N -0.847 119.673 120.500 0.034 0.000 2.073 360 R HA -0.151 4.189 4.340 0.001 0.000 0.234 360 R C 2.512 178.836 176.300 0.038 0.000 1.134 360 R CA 2.296 58.413 56.100 0.028 0.000 0.952 360 R CB -1.118 29.191 30.300 0.014 0.000 0.850 360 R HN 0.476 nan 8.270 nan 0.000 0.433 361 L N 0.086 121.340 121.223 0.052 0.000 2.079 361 L HA -0.126 4.214 4.340 0.001 0.000 0.210 361 L C 2.697 179.619 176.870 0.087 0.000 1.081 361 L CA 2.743 57.613 54.840 0.050 0.000 0.752 361 L CB -2.200 39.871 42.059 0.020 0.000 0.896 361 L HN 0.569 nan 8.230 nan 0.000 0.433 362 S N 0.162 115.947 115.700 0.141 0.000 2.393 362 S HA -0.389 4.082 4.470 0.001 0.000 0.235 362 S C 2.498 177.139 174.600 0.068 0.000 1.061 362 S CA 4.373 62.644 58.200 0.119 0.000 1.129 362 S CB -1.029 nan 63.200 nan 0.000 1.011 362 S HN 1.170 nan 8.310 nan 0.000 0.436 363 K N -0.171 120.257 120.400 0.046 0.000 2.103 363 K HA 0.092 4.412 4.320 0.001 0.000 0.207 363 K C 2.292 178.908 176.600 0.026 0.000 1.048 363 K CA 2.263 58.568 56.287 0.031 0.000 0.930 363 K CB -1.907 nan 32.500 nan 0.000 0.716 363 K HN 0.933 nan 8.250 nan 0.000 0.444 364 E N -0.231 119.985 120.200 0.026 0.000 2.106 364 E HA 0.264 4.614 4.350 0.001 0.000 0.192 364 E C 2.262 178.870 176.600 0.014 0.000 0.984 364 E CA 1.561 57.970 56.400 0.016 0.000 0.806 364 E CB -0.963 nan 29.700 nan 0.000 0.750 364 E HN 1.058 nan 8.360 nan 0.000 0.458 365 L N -0.515 120.721 121.223 0.023 0.000 2.629 365 L HA 0.672 5.013 4.340 0.001 0.000 0.230 365 L C 2.035 178.920 176.870 0.025 0.000 1.151 365 L CA 0.969 55.821 54.840 0.019 0.000 0.924 365 L CB -1.336 40.735 42.059 0.019 0.000 1.137 365 L HN 1.123 nan 8.230 nan 0.000 0.457 366 G N -2.244 106.572 108.800 0.026 0.000 2.333 366 G HA2 0.010 3.970 3.960 0.001 0.000 0.296 366 G HA3 0.010 3.970 3.960 0.001 0.000 0.296 366 G C 0.113 175.030 174.900 0.027 0.000 1.059 366 G CA 0.502 45.615 45.100 0.022 0.000 1.050 366 G HN 2.297 nan 8.290 nan 0.000 0.508 367 Y N -0.273 120.050 120.300 0.038 0.000 2.299 367 Y HA 0.710 5.260 4.550 0.001 0.000 0.335 367 Y C 1.734 177.650 175.900 0.027 0.000 1.287 367 Y CA -0.093 58.031 58.100 0.040 0.000 1.424 367 Y CB 0.455 38.947 38.460 0.052 0.000 1.326 367 Y HN 0.504 nan 8.280 nan 0.000 0.567 368 L N 1.004 122.242 121.223 0.025 0.000 2.042 368 L HA 0.272 4.612 4.340 0.001 0.000 0.210 368 L C 1.179 178.057 176.870 0.013 0.000 1.076 368 L CA 2.134 56.984 54.840 0.017 0.000 0.749 368 L CB -0.153 41.916 42.059 0.016 0.000 0.893 368 L HN 1.180 nan 8.230 nan 0.000 0.432 369 G N -2.277 106.529 108.800 0.010 0.000 2.321 369 G HA2 0.354 4.314 3.960 0.001 0.000 0.296 369 G HA3 0.354 4.314 3.960 0.001 0.000 0.296 369 G C -1.717 173.181 174.900 -0.002 0.000 1.287 369 G CA 0.010 45.114 45.100 0.006 0.000 0.846 369 G HN 0.207 nan 8.290 nan 0.000 0.508 370 S N -0.565 115.133 115.700 -0.004 0.000 2.548 370 S HA 0.763 5.234 4.470 0.001 0.000 0.276 370 S C -0.978 173.615 174.600 -0.011 0.000 1.129 370 S CA -0.798 57.395 58.200 -0.012 0.000 0.931 370 S CB 2.083 65.278 63.200 -0.008 0.000 1.068 370 S HN 1.479 nan 8.310 nan 0.000 0.480 371 L N 2.126 123.338 121.223 -0.017 0.000 2.342 371 L HA 0.917 5.257 4.340 0.001 0.000 0.271 371 L C -0.866 175.999 176.870 -0.009 0.000 1.008 371 L CA -0.633 54.202 54.840 -0.008 0.000 0.818 371 L CB 1.636 43.695 42.059 -0.000 0.000 1.296 371 L HN 1.101 nan 8.230 nan 0.000 0.427 372 A N 5.514 128.333 122.820 -0.002 0.000 2.331 372 A HA 0.714 5.034 4.320 0.001 0.000 0.320 372 A C -0.816 176.771 177.584 0.006 0.000 1.138 372 A CA -0.553 51.483 52.037 -0.001 0.000 0.790 372 A CB 0.943 19.942 19.000 -0.001 0.000 1.206 372 A HN 0.675 nan 8.150 nan 0.000 0.470 373 I N 2.088 122.664 120.570 0.010 0.000 2.330 373 I HA 0.351 4.522 4.170 0.001 0.000 0.286 373 I C -0.473 175.651 176.117 0.012 0.000 1.025 373 I CA -0.212 61.097 61.300 0.014 0.000 1.197 373 I CB 1.082 39.097 38.000 0.025 0.000 1.358 373 I HN 0.610 nan 8.210 nan 0.000 0.467 374 C N 4.884 124.188 119.300 0.007 0.000 2.712 374 C HA 0.370 4.831 4.460 0.001 0.000 0.308 374 C C 1.116 176.108 174.990 0.003 0.000 1.201 374 C CA -0.511 58.511 59.018 0.007 0.000 1.554 374 C CB 1.862 29.605 27.740 0.004 0.000 2.117 374 C HN 0.825 nan 8.230 nan 0.000 0.480 375 N N 0.882 119.584 118.700 0.005 0.000 2.280 375 N HA 0.224 4.964 4.740 0.001 0.000 0.192 375 N C -0.649 174.859 175.510 -0.005 0.000 1.109 375 N CA 0.491 53.540 53.050 -0.001 0.000 0.855 375 N CB 0.386 38.873 38.487 -0.001 0.000 0.974 375 N HN 0.468 nan 8.380 nan 0.000 0.482 376 V N 2.189 122.102 119.914 -0.001 0.000 2.380 376 V HA 0.424 4.544 4.120 0.001 0.000 0.286 376 V C -2.351 173.736 176.094 -0.011 0.000 1.015 376 V CA -1.862 60.437 62.300 -0.001 0.000 0.834 376 V CB 1.654 33.486 31.823 0.016 0.000 1.009 376 V HN -0.003 nan 8.190 nan 0.000 0.428 377 P HA 0.219 nan 4.420 nan 0.000 0.266 377 P C 1.061 178.324 177.300 -0.061 0.000 1.195 377 P CA 1.130 64.198 63.100 -0.053 0.000 0.768 377 P CB 0.737 32.387 31.700 -0.084 0.000 0.838 378 G N 1.568 110.336 108.800 -0.054 0.000 2.175 378 G HA2 -0.267 3.694 3.960 0.001 0.000 0.265 378 G HA3 -0.267 3.694 3.960 0.001 0.000 0.265 378 G C 0.450 175.359 174.900 0.015 0.000 0.979 378 G CA 0.458 45.535 45.100 -0.037 0.000 0.663 378 G HN 0.833 nan 8.290 nan 0.000 0.533 379 S N -0.367 115.341 115.700 0.014 0.000 2.600 379 S HA 0.581 5.051 4.470 0.001 0.000 0.265 379 S C 1.787 176.400 174.600 0.021 0.000 1.325 379 S CA 0.762 58.978 58.200 0.026 0.000 1.002 379 S CB 1.391 64.603 63.200 0.019 0.000 0.921 379 S HN 0.946 nan 8.310 nan 0.000 0.554 380 S N 1.700 117.413 115.700 0.023 0.000 2.368 380 S HA -0.095 4.376 4.470 0.001 0.000 0.225 380 S C 1.833 176.441 174.600 0.013 0.000 1.030 380 S CA 1.242 59.454 58.200 0.019 0.000 0.999 380 S CB -0.886 62.325 63.200 0.018 0.000 0.844 380 S HN 0.633 nan 8.310 nan 0.000 0.459 381 L N 1.272 122.501 121.223 0.010 0.000 2.083 381 L HA -0.091 4.249 4.340 0.001 0.000 0.209 381 L C 2.497 179.370 176.870 0.004 0.000 1.083 381 L CA 0.803 55.647 54.840 0.006 0.000 0.752 381 L CB -0.722 41.340 42.059 0.005 0.000 0.899 381 L HN 0.197 nan 8.230 nan 0.000 0.433 382 V N 0.392 120.308 119.914 0.004 0.000 2.255 382 V HA -0.319 3.801 4.120 0.001 0.000 0.247 382 V C 2.530 178.625 176.094 0.001 0.000 1.051 382 V CA 2.283 64.583 62.300 0.000 0.000 1.018 382 V CB -0.781 31.039 31.823 -0.005 0.000 0.641 382 V HN 0.536 nan 8.190 nan 0.000 0.445 383 R N 0.383 120.886 120.500 0.004 0.000 2.148 383 R HA -0.076 4.264 4.340 0.001 0.000 0.227 383 R C 1.827 178.131 176.300 0.007 0.000 1.103 383 R CA 1.364 57.468 56.100 0.006 0.000 0.983 383 R CB -0.318 29.988 30.300 0.011 0.000 0.874 383 R HN 0.552 nan 8.270 nan 0.000 0.451 384 E N 0.829 121.033 120.200 0.008 0.000 2.472 384 E HA 0.106 4.456 4.350 0.001 0.000 0.196 384 E C -0.248 176.356 176.600 0.006 0.000 1.033 384 E CA -0.098 56.307 56.400 0.008 0.000 0.886 384 E CB 0.650 30.356 29.700 0.010 0.000 0.944 384 E HN 0.185 nan 8.360 nan 0.000 0.492 385 S N 0.905 116.607 115.700 0.004 0.000 2.646 385 S HA 0.100 4.571 4.470 0.001 0.000 0.276 385 S C 0.454 175.056 174.600 0.002 0.000 1.222 385 S CA -0.759 57.442 58.200 0.001 0.000 1.014 385 S CB 1.234 64.433 63.200 -0.002 0.000 0.991 385 S HN 0.046 nan 8.310 nan 0.000 0.533 386 D N 0.357 120.758 120.400 0.002 0.000 2.269 386 D HA 0.127 4.767 4.640 0.001 0.000 0.208 386 D C 0.048 176.349 176.300 0.002 0.000 0.963 386 D CA 1.086 55.087 54.000 0.003 0.000 0.864 386 D CB 0.013 40.815 40.800 0.003 0.000 0.936 386 D HN 0.293 nan 8.370 nan 0.000 0.505 387 L N -0.689 120.534 121.223 0.001 0.000 2.505 387 L HA 0.606 4.947 4.340 0.001 0.000 0.259 387 L C -1.227 175.644 176.870 0.001 0.000 0.952 387 L CA -0.881 53.960 54.840 0.002 0.000 0.840 387 L CB 2.532 44.594 42.059 0.004 0.000 1.358 387 L HN -0.271 nan 8.230 nan 0.000 0.409 388 A N 2.591 125.412 122.820 0.001 0.000 2.422 388 A HA 0.857 5.178 4.320 0.001 0.000 0.302 388 A C -1.833 175.751 177.584 0.001 0.000 1.041 388 A CA -0.373 51.664 52.037 0.000 0.000 0.708 388 A CB 1.763 20.761 19.000 -0.003 0.000 1.257 388 A HN 0.430 nan 8.150 nan 0.000 0.414 389 L N 3.700 124.925 121.223 0.003 0.000 2.353 389 L HA 0.462 4.803 4.340 0.001 0.000 0.270 389 L C -0.374 176.496 176.870 -0.000 0.000 1.003 389 L CA -0.490 54.352 54.840 0.003 0.000 0.862 389 L CB 1.250 43.315 42.059 0.010 0.000 1.221 389 L HN 0.701 nan 8.230 nan 0.000 0.430 390 M N 1.811 121.408 119.600 -0.006 0.000 2.245 390 M HA 0.149 4.629 4.480 0.001 0.000 0.344 390 M C 1.545 177.840 176.300 -0.009 0.000 1.170 390 M CA 0.166 55.461 55.300 -0.009 0.000 1.135 390 M CB 0.310 32.902 32.600 -0.014 0.000 1.574 390 M HN 0.670 nan 8.290 nan 0.000 0.452 391 T N -1.857 112.692 114.554 -0.008 0.000 3.081 391 T HA 0.022 4.372 4.350 0.001 0.000 0.255 391 T C 0.632 175.324 174.700 -0.013 0.000 1.113 391 T CA 0.092 62.186 62.100 -0.010 0.000 1.082 391 T CB -0.310 68.554 68.868 -0.007 0.000 0.939 391 T HN 0.698 nan 8.240 nan 0.000 0.506 392 N N 1.459 120.151 118.700 -0.013 0.000 2.701 392 N HA -0.225 4.515 4.740 0.001 0.000 0.250 392 N C 0.945 176.446 175.510 -0.014 0.000 1.046 392 N CA 0.707 53.749 53.050 -0.015 0.000 0.733 392 N CB -1.341 37.137 38.487 -0.014 0.000 0.973 392 N HN 0.717 nan 8.380 nan 0.000 0.541 393 A N -0.133 122.678 122.820 -0.015 0.000 2.119 393 A HA 0.401 4.722 4.320 0.001 0.000 0.216 393 A C 1.478 179.050 177.584 -0.021 0.000 1.152 393 A CA 1.458 53.486 52.037 -0.017 0.000 0.708 393 A CB -0.169 18.823 19.000 -0.015 0.000 0.805 393 A HN 1.333 nan 8.150 nan 0.000 0.460 394 G N -1.692 107.095 108.800 -0.021 0.000 2.795 394 G HA2 -0.090 3.870 3.960 0.001 0.000 0.664 394 G HA3 -0.090 3.870 3.960 0.001 0.000 0.664 394 G C -0.102 174.775 174.900 -0.039 0.000 1.381 394 G CA -0.483 44.602 45.100 -0.025 0.000 0.853 394 G HN 0.737 nan 8.290 nan 0.000 0.545 395 T N 1.151 115.677 114.554 -0.048 0.000 2.709 395 T HA 0.242 4.592 4.350 0.001 0.000 0.269 395 T C 0.659 175.290 174.700 -0.115 0.000 1.008 395 T CA 1.565 63.614 62.100 -0.084 0.000 1.194 395 T CB 0.301 69.114 68.868 -0.092 0.000 0.986 395 T HN 0.625 nan 8.240 nan 0.000 0.508 396 E N 3.768 123.882 120.200 -0.143 0.000 2.113 396 E HA 0.224 4.575 4.350 0.001 0.000 0.273 396 E C 0.526 176.927 176.600 -0.331 0.000 0.924 396 E CA -0.685 55.615 56.400 -0.166 0.000 0.764 396 E CB 0.386 30.029 29.700 -0.095 0.000 1.104 396 E HN 0.429 nan 8.360 nan 0.000 0.406 397 I N 2.974 123.301 120.570 -0.405 0.000 2.556 397 I HA 0.082 4.253 4.170 0.001 0.000 0.251 397 I C 1.417 177.293 176.117 -0.402 0.000 1.105 397 I CA 0.496 61.358 61.300 -0.729 0.000 1.436 397 I CB -1.178 36.194 38.000 -1.046 0.000 1.139 397 I HN 0.577 nan 8.210 nan 0.000 0.438 398 G N 1.386 110.084 108.800 -0.169 0.000 2.187 398 G HA2 0.140 4.101 3.960 0.001 0.000 0.239 398 G HA3 0.140 4.101 3.960 0.001 0.000 0.239 398 G C 1.143 176.035 174.900 -0.014 0.000 1.200 398 G CA -0.061 45.018 45.100 -0.035 0.000 0.888 398 G HN 0.049 nan 8.290 nan 0.000 0.482 399 V N 3.306 123.249 119.914 0.048 0.000 2.307 399 V HA -0.059 4.061 4.120 0.001 0.000 0.245 399 V C 2.317 178.441 176.094 0.051 0.000 1.045 399 V CA 2.023 64.382 62.300 0.099 0.000 1.024 399 V CB -0.813 31.111 31.823 0.168 0.000 0.651 399 V HN 0.945 nan 8.190 nan 0.000 0.449 400 A N 0.321 123.152 122.820 0.019 0.000 2.396 400 A HA 0.360 4.681 4.320 0.001 0.000 0.279 400 A C 0.591 178.155 177.584 -0.033 0.000 1.165 400 A CA 0.195 52.221 52.037 -0.018 0.000 0.824 400 A CB 0.031 19.006 19.000 -0.042 0.000 1.100 400 A HN 0.324 nan 8.150 nan 0.000 0.516 401 S N 1.329 117.010 115.700 -0.031 0.000 2.549 401 S HA 0.320 4.791 4.470 0.001 0.000 0.286 401 S C 1.490 176.067 174.600 -0.038 0.000 1.314 401 S CA 0.410 58.599 58.200 -0.017 0.000 1.062 401 S CB 0.588 63.800 63.200 0.019 0.000 0.865 401 S HN 1.009 nan 8.310 nan 0.000 0.498 402 T N 1.616 116.160 114.554 -0.017 0.000 3.429 402 T HA 0.136 4.487 4.350 0.001 0.000 0.212 402 T C 1.618 176.349 174.700 0.052 0.000 0.980 402 T CA -0.100 61.991 62.100 -0.015 0.000 1.201 402 T CB -0.532 68.294 68.868 -0.070 0.000 1.289 402 T HN 0.541 nan 8.240 nan 0.000 0.346 403 K N 2.253 122.655 120.400 0.005 0.000 2.160 403 K HA 0.100 4.421 4.320 0.001 0.000 0.206 403 K C 2.415 179.035 176.600 0.033 0.000 1.047 403 K CA 1.494 57.785 56.287 0.007 0.000 0.930 403 K CB -0.727 31.756 32.500 -0.028 0.000 0.720 403 K HN 0.401 nan 8.250 nan 0.000 0.450 404 A N 0.903 123.750 122.820 0.045 0.000 1.933 404 A HA -0.115 4.205 4.320 0.001 0.000 0.218 404 A C 1.949 179.593 177.584 0.101 0.000 1.175 404 A CA 1.262 53.334 52.037 0.057 0.000 0.628 404 A CB -0.687 18.345 19.000 0.054 0.000 0.814 404 A HN 0.540 nan 8.150 nan 0.000 0.444 405 F N 0.429 120.364 119.950 -0.025 0.000 2.094 405 F HA -0.044 4.484 4.527 0.001 0.000 0.291 405 F C 2.524 178.323 175.800 -0.003 0.000 1.109 405 F CA 2.171 60.159 58.000 -0.020 0.000 1.221 405 F CB -0.818 38.158 39.000 -0.039 0.000 1.014 405 F HN 0.149 nan 8.300 nan 0.000 0.473 406 T N -0.242 114.338 114.554 0.043 0.000 2.699 406 T HA -0.214 4.137 4.350 0.001 0.000 0.268 406 T C 1.895 176.556 174.700 -0.065 0.000 1.036 406 T CA 2.456 64.531 62.100 -0.041 0.000 1.147 406 T CB -0.628 68.278 68.868 0.065 0.000 0.862 406 T HN 0.562 nan 8.240 nan 0.000 0.446 407 T N -0.282 114.251 114.554 -0.034 0.000 2.985 407 T HA 0.023 4.373 4.350 0.001 0.000 0.266 407 T C 1.903 176.575 174.700 -0.046 0.000 1.076 407 T CA 0.700 62.780 62.100 -0.033 0.000 1.135 407 T CB -0.268 68.590 68.868 -0.017 0.000 0.890 407 T HN 0.354 nan 8.240 nan 0.000 0.480 408 Q N 0.684 120.444 119.800 -0.067 0.000 2.061 408 Q HA -0.012 4.329 4.340 0.001 0.000 0.204 408 Q C 2.314 178.270 176.000 -0.073 0.000 0.984 408 Q CA 1.559 57.320 55.803 -0.069 0.000 0.846 408 Q CB -0.455 28.232 28.738 -0.085 0.000 0.902 408 Q HN 0.532 nan 8.270 nan 0.000 0.421 409 L N -0.318 120.816 121.223 -0.149 0.000 2.131 409 L HA -0.188 4.153 4.340 0.001 0.000 0.210 409 L C 2.373 179.281 176.870 0.063 0.000 1.092 409 L CA 1.156 55.992 54.840 -0.006 0.000 0.759 409 L CB -0.498 41.511 42.059 -0.084 0.000 0.903 409 L HN 0.275 nan 8.230 nan 0.000 0.435 410 T N -0.847 113.693 114.554 -0.023 0.000 2.777 410 T HA -0.136 4.215 4.350 0.001 0.000 0.266 410 T C 1.981 176.645 174.700 -0.061 0.000 1.040 410 T CA 1.184 63.251 62.100 -0.055 0.000 1.141 410 T CB -0.130 68.710 68.868 -0.047 0.000 0.868 410 T HN 0.058 nan 8.240 nan 0.000 0.444 411 V N 1.225 121.120 119.914 -0.031 0.000 2.453 411 V HA -0.048 4.072 4.120 0.001 0.000 0.247 411 V C 2.419 178.510 176.094 -0.006 0.000 1.048 411 V CA 1.212 63.501 62.300 -0.019 0.000 1.049 411 V CB -0.584 31.237 31.823 -0.003 0.000 0.672 411 V HN 0.399 nan 8.190 nan 0.000 0.457 412 L N -1.043 120.200 121.223 0.033 0.000 2.017 412 L HA -0.196 4.144 4.340 0.001 0.000 0.208 412 L C 2.432 179.253 176.870 -0.082 0.000 1.073 412 L CA 1.123 56.007 54.840 0.074 0.000 0.745 412 L CB -0.634 41.547 42.059 0.202 0.000 0.894 412 L HN 0.268 nan 8.230 nan 0.000 0.432 413 L N -0.571 120.538 121.223 -0.190 0.000 1.990 413 L HA -0.268 4.073 4.340 0.001 0.000 0.213 413 L C 2.546 179.246 176.870 -0.283 0.000 1.072 413 L CA 2.032 56.598 54.840 -0.456 0.000 0.755 413 L CB -0.760 40.934 42.059 -0.609 0.000 0.889 413 L HN 0.253 nan 8.230 nan 0.000 0.432 414 M N -1.866 117.630 119.600 -0.175 0.000 2.149 414 M HA -0.260 4.220 4.480 0.001 0.000 0.261 414 M C 2.179 178.430 176.300 -0.081 0.000 1.064 414 M CA 1.489 56.722 55.300 -0.113 0.000 1.102 414 M CB -0.534 32.023 32.600 -0.071 0.000 1.369 414 M HN 0.240 nan 8.290 nan 0.000 0.408 415 L N 0.099 121.289 121.223 -0.054 0.000 2.056 415 L HA -0.112 4.228 4.340 0.001 0.000 0.207 415 L C 2.260 179.128 176.870 -0.004 0.000 1.078 415 L CA 1.374 56.225 54.840 0.018 0.000 0.749 415 L CB -0.451 41.681 42.059 0.121 0.000 0.901 415 L HN 0.005 nan 8.230 nan 0.000 0.433 416 V N 0.178 119.976 119.914 -0.193 0.000 2.231 416 V HA -0.406 3.714 4.120 0.001 0.000 0.250 416 V C 2.786 178.807 176.094 -0.121 0.000 1.058 416 V CA 2.034 64.173 62.300 -0.268 0.000 1.022 416 V CB -1.572 29.971 31.823 -0.467 0.000 0.640 416 V HN 0.619 nan 8.190 nan 0.000 0.445 417 A N 0.407 123.142 122.820 -0.142 0.000 1.903 417 A HA -0.363 3.958 4.320 0.001 0.000 0.219 417 A C 2.224 179.782 177.584 -0.044 0.000 1.191 417 A CA 2.911 54.892 52.037 -0.093 0.000 0.638 417 A CB -0.624 18.318 19.000 -0.098 0.000 0.823 417 A HN 0.596 nan 8.150 nan 0.000 0.451 418 K N 0.103 120.487 120.400 -0.027 0.000 2.097 418 K HA 0.042 4.362 4.320 0.001 0.000 0.205 418 K C 1.728 178.337 176.600 0.015 0.000 1.050 418 K CA 1.496 57.781 56.287 -0.003 0.000 0.938 418 K CB -0.615 31.888 32.500 0.005 0.000 0.718 418 K HN 0.456 nan 8.250 nan 0.000 0.442 419 L N 1.131 122.377 121.223 0.038 0.000 2.046 419 L HA -0.159 4.182 4.340 0.001 0.000 0.208 419 L C 2.607 179.502 176.870 0.041 0.000 1.077 419 L CA 1.651 56.528 54.840 0.062 0.000 0.747 419 L CB -0.858 41.281 42.059 0.132 0.000 0.896 419 L HN 0.468 nan 8.230 nan 0.000 0.432 420 S N 0.066 115.781 115.700 0.025 0.000 2.383 420 S HA -0.293 4.177 4.470 0.001 0.000 0.229 420 S C 2.042 176.639 174.600 -0.005 0.000 1.030 420 S CA 1.690 59.895 58.200 0.008 0.000 1.002 420 S CB -0.276 62.917 63.200 -0.012 0.000 0.829 420 S HN 0.399 nan 8.310 nan 0.000 0.467 421 K N 0.888 121.282 120.400 -0.010 0.000 2.057 421 K HA 0.046 4.366 4.320 0.001 0.000 0.206 421 K C 2.400 178.998 176.600 -0.004 0.000 1.050 421 K CA 1.406 57.684 56.287 -0.015 0.000 0.935 421 K CB -0.700 31.790 32.500 -0.016 0.000 0.715 421 K HN 0.477 nan 8.250 nan 0.000 0.439 422 L N 0.749 121.976 121.223 0.006 0.000 2.376 422 L HA 0.058 4.399 4.340 0.001 0.000 0.219 422 L C 2.335 179.212 176.870 0.012 0.000 1.133 422 L CA 2.027 56.873 54.840 0.010 0.000 0.816 422 L CB -2.101 39.968 42.059 0.017 0.000 0.933 422 L HN 0.441 nan 8.230 nan 0.000 0.449 423 K N -0.073 120.335 120.400 0.014 0.000 2.613 423 K HA 0.509 4.830 4.320 0.001 0.000 0.186 423 K C 1.558 178.161 176.600 0.004 0.000 1.126 423 K CA 0.752 57.048 56.287 0.014 0.000 1.230 423 K CB -1.109 31.403 32.500 0.020 0.000 1.713 423 K HN 1.403 nan 8.250 nan 0.000 0.491 424 G N -0.281 108.519 108.800 0.000 0.000 5.432 424 G HA2 0.415 4.376 3.960 0.001 0.000 0.221 424 G HA3 0.415 4.376 3.960 0.001 0.000 0.221 424 G C -0.194 174.698 174.900 -0.013 0.000 0.809 424 G CA -0.335 44.761 45.100 -0.007 0.000 0.700 424 G HN 0.283 nan 8.290 nan 0.000 0.367 425 L N -0.274 120.939 121.223 -0.017 0.000 2.400 425 L HA 0.462 4.802 4.340 0.001 0.000 0.264 425 L C 0.251 177.096 176.870 -0.041 0.000 1.061 425 L CA -1.140 53.687 54.840 -0.022 0.000 0.799 425 L CB 0.756 42.807 42.059 -0.014 0.000 1.240 425 L HN -0.051 nan 8.230 nan 0.000 0.461 426 D N 0.861 121.236 120.400 -0.042 0.000 2.793 426 D HA -0.072 4.568 4.640 0.001 0.000 0.230 426 D C 0.848 177.088 176.300 -0.100 0.000 1.139 426 D CA 0.495 54.457 54.000 -0.063 0.000 0.838 426 D CB 1.157 41.928 40.800 -0.048 0.000 1.149 426 D HN 0.624 nan 8.370 nan 0.000 0.526 427 A N 3.707 126.437 122.820 -0.149 0.000 2.139 427 A HA -0.174 4.146 4.320 0.001 0.000 0.221 427 A C 2.399 179.774 177.584 -0.348 0.000 1.159 427 A CA 2.136 54.011 52.037 -0.271 0.000 0.662 427 A CB -0.696 18.099 19.000 -0.341 0.000 0.796 427 A HN 0.700 nan 8.150 nan 0.000 0.463 428 S N 0.435 116.018 115.700 -0.194 0.000 2.365 428 S HA -0.172 4.299 4.470 0.001 0.000 0.225 428 S C 1.840 176.409 174.600 -0.052 0.000 1.039 428 S CA 1.777 59.916 58.200 -0.101 0.000 1.033 428 S CB -0.583 62.585 63.200 -0.054 0.000 0.887 428 S HN 0.500 nan 8.310 nan 0.000 0.447 429 I N 1.048 121.581 120.570 -0.062 0.000 2.142 429 I HA -0.218 3.953 4.170 0.001 0.000 0.240 429 I C 2.485 178.577 176.117 -0.042 0.000 1.078 429 I CA 1.699 62.971 61.300 -0.047 0.000 1.343 429 I CB -0.331 37.640 38.000 -0.047 0.000 1.046 429 I HN 0.508 nan 8.210 nan 0.000 0.405 430 E N 0.335 120.507 120.200 -0.046 0.000 2.118 430 E HA -0.269 4.081 4.350 0.001 0.000 0.195 430 E C 2.147 178.798 176.600 0.085 0.000 0.992 430 E CA 1.500 57.894 56.400 -0.010 0.000 0.804 430 E CB -0.095 29.597 29.700 -0.014 0.000 0.741 430 E HN 0.618 nan 8.360 nan 0.000 0.458 431 H N -0.256 118.788 119.070 -0.044 0.000 2.299 431 H HA -0.102 4.454 4.556 0.001 0.000 0.302 431 H C 1.759 177.072 175.328 -0.025 0.000 1.078 431 H CA 0.959 56.987 56.048 -0.034 0.000 1.323 431 H CB 0.152 29.887 29.762 -0.044 0.000 1.381 431 H HN 0.232 nan 8.280 nan 0.000 0.498 432 D N 0.740 121.196 120.400 0.094 0.000 2.133 432 D HA -0.156 4.484 4.640 0.001 0.000 0.195 432 D C 2.191 178.500 176.300 0.016 0.000 0.997 432 D CA 0.973 54.993 54.000 0.034 0.000 0.840 432 D CB -0.327 40.472 40.800 -0.002 0.000 0.947 432 D HN 0.396 nan 8.370 nan 0.000 0.452 433 I N 0.299 120.845 120.570 -0.039 0.000 2.202 433 I HA -0.210 3.960 4.170 0.001 0.000 0.242 433 I C 2.461 178.528 176.117 -0.082 0.000 1.091 433 I CA 0.540 61.768 61.300 -0.120 0.000 1.368 433 I CB -0.050 37.840 38.000 -0.184 0.000 1.058 433 I HN -0.122 nan 8.210 nan 0.000 0.410 434 V N 0.409 120.306 119.914 -0.028 0.000 2.343 434 V HA -0.338 3.782 4.120 0.001 0.000 0.247 434 V C 2.500 178.587 176.094 -0.011 0.000 1.051 434 V CA 2.105 64.390 62.300 -0.024 0.000 1.036 434 V CB -0.909 30.915 31.823 0.000 0.000 0.654 434 V HN 0.535 nan 8.190 nan 0.000 0.451 435 H N 0.334 119.358 119.070 -0.077 0.000 2.353 435 H HA -0.126 4.431 4.556 0.001 0.000 0.300 435 H C 2.267 177.551 175.328 -0.074 0.000 1.090 435 H CA 1.805 57.808 56.048 -0.076 0.000 1.327 435 H CB -0.196 29.525 29.762 -0.069 0.000 1.383 435 H HN 0.443 nan 8.280 nan 0.000 0.508 436 G N 1.195 109.971 108.800 -0.040 0.000 2.421 436 G HA2 -0.207 3.753 3.960 0.001 0.000 0.216 436 G HA3 -0.207 3.753 3.960 0.001 0.000 0.216 436 G C 2.032 176.850 174.900 -0.137 0.000 1.171 436 G CA 0.694 45.730 45.100 -0.106 0.000 0.775 436 G HN 0.346 nan 8.290 nan 0.000 0.543 437 L N -0.234 120.915 121.223 -0.123 0.000 2.083 437 L HA -0.138 4.203 4.340 0.001 0.000 0.209 437 L C 3.130 179.937 176.870 -0.105 0.000 1.083 437 L CA 1.219 55.992 54.840 -0.113 0.000 0.752 437 L CB -0.395 41.599 42.059 -0.110 0.000 0.899 437 L HN 0.296 nan 8.230 nan 0.000 0.433 438 Q N -0.719 119.007 119.800 -0.124 0.000 2.224 438 Q HA -0.152 4.189 4.340 0.001 0.000 0.203 438 Q C 2.266 178.183 176.000 -0.138 0.000 0.970 438 Q CA 1.415 57.145 55.803 -0.123 0.000 0.865 438 Q CB -0.077 28.584 28.738 -0.129 0.000 0.922 438 Q HN 0.562 nan 8.270 nan 0.000 0.445 439 A N 0.175 122.882 122.820 -0.188 0.000 2.021 439 A HA -0.068 4.252 4.320 0.001 0.000 0.216 439 A C 1.885 179.412 177.584 -0.095 0.000 1.163 439 A CA 0.235 52.173 52.037 -0.165 0.000 0.676 439 A CB -0.333 18.525 19.000 -0.236 0.000 0.818 439 A HN 0.324 nan 8.150 nan 0.000 0.453 440 L N 0.797 121.972 121.223 -0.079 0.000 2.011 440 L HA -0.173 4.167 4.340 0.001 0.000 0.225 440 L C -0.684 176.193 176.870 0.011 0.000 1.084 440 L CA 2.934 57.760 54.840 -0.023 0.000 0.791 440 L CB -1.363 40.681 42.059 -0.025 0.000 0.898 440 L HN 0.167 nan 8.230 nan 0.000 0.440 441 P HA -0.174 nan 4.420 nan 0.000 0.214 441 P C 1.839 179.149 177.300 0.018 0.000 1.169 441 P CA 2.691 65.794 63.100 0.005 0.000 0.908 441 P CB -0.323 31.372 31.700 -0.009 0.000 0.791 442 S N -0.705 114.998 115.700 0.004 0.000 2.419 442 S HA -0.209 4.262 4.470 0.001 0.000 0.235 442 S C 2.030 176.656 174.600 0.043 0.000 1.019 442 S CA 1.266 59.474 58.200 0.013 0.000 0.982 442 S CB -0.731 62.463 63.200 -0.009 0.000 0.789 442 S HN -0.007 nan 8.310 nan 0.000 0.490 443 R N 0.224 120.759 120.500 0.058 0.000 2.062 443 R HA 0.118 4.459 4.340 0.001 0.000 0.229 443 R C 2.101 178.595 176.300 0.323 0.000 1.128 443 R CA 1.075 57.267 56.100 0.153 0.000 0.960 443 R CB -0.777 29.550 30.300 0.045 0.000 0.855 443 R HN 0.573 nan 8.270 nan 0.000 0.432 444 I N 1.122 121.814 120.570 0.204 0.000 2.286 444 I HA -0.242 3.928 4.170 0.001 0.000 0.248 444 I C 2.482 178.611 176.117 0.020 0.000 1.115 444 I CA 1.215 62.560 61.300 0.076 0.000 1.392 444 I CB -0.265 37.751 38.000 0.026 0.000 1.065 444 I HN 0.086 nan 8.210 nan 0.000 0.418 445 E N 1.188 121.415 120.200 0.046 0.000 2.118 445 E HA -0.291 4.059 4.350 0.001 0.000 0.195 445 E C 2.273 178.902 176.600 0.049 0.000 0.992 445 E CA 2.305 58.730 56.400 0.042 0.000 0.804 445 E CB -0.224 29.503 29.700 0.045 0.000 0.741 445 E HN 0.543 nan 8.360 nan 0.000 0.458 446 Q N -0.228 119.619 119.800 0.079 0.000 2.096 446 Q HA 0.075 4.416 4.340 0.001 0.000 0.197 446 Q C 2.097 178.132 176.000 0.058 0.000 0.964 446 Q CA 1.686 57.540 55.803 0.084 0.000 0.838 446 Q CB -0.764 28.045 28.738 0.118 0.000 0.906 446 Q HN 0.395 nan 8.270 nan 0.000 0.444 447 M N 0.295 119.916 119.600 0.036 0.000 2.149 447 M HA 0.041 4.522 4.480 0.001 0.000 0.261 447 M C 1.817 178.022 176.300 -0.159 0.000 1.064 447 M CA 1.297 56.489 55.300 -0.181 0.000 1.102 447 M CB -0.417 31.851 32.600 -0.553 0.000 1.369 447 M HN 0.420 nan 8.290 nan 0.000 0.408 448 L N -0.633 120.523 121.223 -0.111 0.000 2.552 448 L HA -0.018 4.322 4.340 0.001 0.000 0.227 448 L C 1.478 178.360 176.870 0.020 0.000 1.146 448 L CA 0.573 55.342 54.840 -0.118 0.000 0.858 448 L CB -0.472 41.496 42.059 -0.152 0.000 0.969 448 L HN 0.333 nan 8.230 nan 0.000 0.451 449 S N -2.102 113.616 115.700 0.031 0.000 2.575 449 S HA 0.026 4.496 4.470 0.001 0.000 0.215 449 S C 1.553 176.180 174.600 0.045 0.000 0.966 449 S CA -0.211 58.026 58.200 0.062 0.000 0.911 449 S CB 0.111 63.344 63.200 0.055 0.000 0.780 449 S HN 0.314 nan 8.310 nan 0.000 0.514 450 Q N 1.983 121.794 119.800 0.018 0.000 2.482 450 Q HA -0.036 4.304 4.340 0.001 0.000 0.209 450 Q C 0.932 176.950 176.000 0.031 0.000 0.961 450 Q CA 0.759 56.574 55.803 0.020 0.000 0.945 450 Q CB -0.310 28.429 28.738 0.002 0.000 1.012 450 Q HN 0.793 nan 8.270 nan 0.000 0.515 451 D N 0.155 120.585 120.400 0.050 0.000 2.263 451 D HA -0.161 4.480 4.640 0.001 0.000 0.208 451 D C 1.762 178.072 176.300 0.017 0.000 0.971 451 D CA 1.741 55.784 54.000 0.071 0.000 0.867 451 D CB -0.327 40.601 40.800 0.213 0.000 0.929 451 D HN 0.188 nan 8.370 nan 0.000 0.492 452 K N 1.189 121.604 120.400 0.024 0.000 2.025 452 K HA -0.037 4.283 4.320 0.001 0.000 0.207 452 K C 2.343 178.927 176.600 -0.025 0.000 1.049 452 K CA 1.283 57.567 56.287 -0.004 0.000 0.933 452 K CB -1.081 31.429 32.500 0.016 0.000 0.714 452 K HN 0.222 nan 8.250 nan 0.000 0.438 453 R N -0.340 120.161 120.500 0.001 0.000 2.081 453 R HA 0.048 4.388 4.340 0.001 0.000 0.235 453 R C 2.385 178.689 176.300 0.007 0.000 1.131 453 R CA 1.487 57.593 56.100 0.010 0.000 0.960 453 R CB -0.448 29.869 30.300 0.028 0.000 0.856 453 R HN 0.514 nan 8.270 nan 0.000 0.436 454 I N 0.766 121.344 120.570 0.013 0.000 2.315 454 I HA -0.228 3.943 4.170 0.001 0.000 0.248 454 I C 2.904 178.961 176.117 -0.101 0.000 1.117 454 I CA 1.710 63.027 61.300 0.029 0.000 1.404 454 I CB -0.530 37.521 38.000 0.085 0.000 1.071 454 I HN 0.379 nan 8.210 nan 0.000 0.419 455 E N 1.270 121.297 120.200 -0.287 0.000 2.031 455 E HA -0.178 4.172 4.350 0.001 0.000 0.193 455 E C 2.350 178.857 176.600 -0.154 0.000 0.994 455 E CA 1.424 57.529 56.400 -0.491 0.000 0.800 455 E CB -0.985 28.340 29.700 -0.625 0.000 0.752 455 E HN 0.578 nan 8.360 nan 0.000 0.447 456 A N -0.244 122.527 122.820 -0.082 0.000 2.024 456 A HA 0.054 4.375 4.320 0.001 0.000 0.220 456 A C 2.337 179.924 177.584 0.005 0.000 1.164 456 A CA 1.680 53.704 52.037 -0.021 0.000 0.643 456 A CB -0.274 18.721 19.000 -0.009 0.000 0.806 456 A HN 0.410 nan 8.150 nan 0.000 0.451 457 L N -0.957 120.276 121.223 0.017 0.000 2.240 457 L HA 0.096 4.437 4.340 0.001 0.000 0.211 457 L C 2.772 179.706 176.870 0.107 0.000 1.106 457 L CA 1.421 56.296 54.840 0.060 0.000 0.793 457 L CB -0.885 41.232 42.059 0.097 0.000 0.927 457 L HN 0.375 nan 8.230 nan 0.000 0.446 458 A N -0.990 121.882 122.820 0.087 0.000 2.070 458 A HA -0.174 4.147 4.320 0.001 0.000 0.220 458 A C 2.094 179.786 177.584 0.180 0.000 1.159 458 A CA 1.167 53.288 52.037 0.140 0.000 0.656 458 A CB -0.370 18.660 19.000 0.050 0.000 0.800 458 A HN 0.504 nan 8.150 nan 0.000 0.453 459 E N 0.287 120.541 120.200 0.091 0.000 2.085 459 E HA -0.230 4.121 4.350 0.001 0.000 0.194 459 E C 1.128 177.748 176.600 0.033 0.000 0.994 459 E CA 1.351 57.783 56.400 0.052 0.000 0.801 459 E CB -0.361 29.353 29.700 0.024 0.000 0.743 459 E HN 0.553 nan 8.360 nan 0.000 0.453 460 D N 0.023 120.421 120.400 -0.004 0.000 2.271 460 D HA -0.154 4.486 4.640 0.001 0.000 0.207 460 D C 1.273 177.413 176.300 -0.267 0.000 0.983 460 D CA 0.913 54.822 54.000 -0.151 0.000 0.878 460 D CB -0.272 40.381 40.800 -0.246 0.000 0.920 460 D HN 0.193 nan 8.370 nan 0.000 0.479 461 F N 0.458 120.336 119.950 -0.120 0.000 2.789 461 F HA 0.017 4.544 4.527 0.001 0.000 0.300 461 F C 2.342 178.073 175.800 -0.115 0.000 1.132 461 F CA 0.094 58.017 58.000 -0.129 0.000 1.404 461 F CB -0.210 38.703 39.000 -0.145 0.000 1.114 461 F HN -0.112 nan 8.300 nan 0.000 0.584 462 S N 0.060 115.787 115.700 0.045 0.000 2.374 462 S HA -0.270 4.200 4.470 0.001 0.000 0.227 462 S C 1.613 176.181 174.600 -0.053 0.000 1.037 462 S CA 1.711 59.913 58.200 0.003 0.000 1.024 462 S CB -0.673 62.527 63.200 0.001 0.000 0.861 462 S HN 0.573 nan 8.310 nan 0.000 0.456 463 D N 0.870 121.213 120.400 -0.095 0.000 2.339 463 D HA 0.073 4.714 4.640 0.001 0.000 0.217 463 D C 0.171 176.248 176.300 -0.371 0.000 1.050 463 D CA 0.033 53.937 54.000 -0.159 0.000 0.856 463 D CB -0.089 40.664 40.800 -0.078 0.000 0.922 463 D HN 0.244 nan 8.370 nan 0.000 0.518 464 K N 0.178 120.388 120.400 -0.316 0.000 2.118 464 K HA 0.273 4.594 4.320 0.001 0.000 0.267 464 K C -0.050 176.278 176.600 -0.452 0.000 0.991 464 K CA -0.489 55.619 56.287 -0.299 0.000 0.916 464 K CB 1.288 33.747 32.500 -0.068 0.000 1.041 464 K HN 0.195 nan 8.250 nan 0.000 0.455 465 H N -0.695 118.424 119.070 0.082 0.000 3.457 465 H HA 0.154 4.710 4.556 0.001 0.000 0.255 465 H C -0.362 174.850 175.328 -0.194 0.000 1.082 465 H CA -0.095 55.927 56.048 -0.044 0.000 1.189 465 H CB 0.559 30.256 29.762 -0.109 0.000 1.511 465 H HN 0.540 nan 8.280 nan 0.000 0.527 466 H N 0.008 119.215 119.070 0.229 0.000 2.771 466 H HA 0.795 5.351 4.556 0.001 0.000 0.367 466 H C -0.785 174.657 175.328 0.191 0.000 1.172 466 H CA -0.681 55.483 56.048 0.193 0.000 1.186 466 H CB 2.029 31.868 29.762 0.127 0.000 1.790 466 H HN 0.267 nan 8.280 nan 0.000 0.556 467 A N 1.268 124.290 122.820 0.337 0.000 2.589 467 A HA 0.560 4.880 4.320 0.001 0.000 0.296 467 A C -2.016 175.745 177.584 0.295 0.000 1.062 467 A CA -0.533 51.684 52.037 0.300 0.000 0.686 467 A CB 1.118 20.334 19.000 0.359 0.000 1.282 467 A HN 0.346 nan 8.150 nan 0.000 0.404 468 L N 1.120 122.472 121.223 0.214 0.000 2.325 468 L HA 0.773 5.113 4.340 0.001 0.000 0.278 468 L C -1.103 175.870 176.870 0.172 0.000 1.023 468 L CA -0.289 54.714 54.840 0.271 0.000 0.811 468 L CB 1.082 43.291 42.059 0.251 0.000 1.249 468 L HN 0.594 nan 8.230 nan 0.000 0.431 469 F N 3.572 123.627 119.950 0.174 0.000 2.482 469 F HA 0.636 5.163 4.527 0.001 0.000 0.331 469 F C -0.279 175.640 175.800 0.199 0.000 1.115 469 F CA -0.602 57.492 58.000 0.158 0.000 0.955 469 F CB 1.345 40.399 39.000 0.089 0.000 1.136 469 F HN 0.095 nan 8.300 nan 0.000 0.452 470 L N 2.783 124.183 121.223 0.295 0.000 2.362 470 L HA 0.964 5.305 4.340 0.001 0.000 0.271 470 L C 0.123 177.139 176.870 0.243 0.000 1.002 470 L CA -0.749 54.255 54.840 0.272 0.000 0.818 470 L CB 1.956 44.131 42.059 0.192 0.000 1.298 470 L HN 0.746 nan 8.230 nan 0.000 0.420 471 G N 1.572 110.528 108.800 0.260 0.000 2.708 471 G HA2 0.763 4.724 3.960 0.001 0.000 0.289 471 G HA3 0.763 4.724 3.960 0.001 0.000 0.289 471 G C -1.577 173.425 174.900 0.170 0.000 1.416 471 G CA -0.666 44.552 45.100 0.196 0.000 0.829 471 G HN 0.460 nan 8.290 nan 0.000 0.480 472 R N -1.003 119.552 120.500 0.091 0.000 2.808 472 R HA 0.651 4.991 4.340 0.001 0.000 0.272 472 R C 0.614 176.893 176.300 -0.034 0.000 0.995 472 R CA 0.131 56.261 56.100 0.048 0.000 0.917 472 R CB 2.068 32.390 30.300 0.037 0.000 1.217 472 R HN 1.530 nan 8.270 nan 0.000 0.471 473 G N 1.839 110.603 108.800 -0.060 0.000 2.574 473 G HA2 -0.401 3.560 3.960 0.001 0.000 0.286 473 G HA3 -0.401 3.560 3.960 0.001 0.000 0.286 473 G C 0.253 174.624 174.900 -0.882 0.000 1.212 473 G CA 0.769 45.701 45.100 -0.280 0.000 0.979 473 G HN 0.824 nan 8.290 nan 0.000 0.557 474 D N 0.308 120.128 120.400 -0.966 0.000 2.363 474 D HA 0.083 4.724 4.640 0.001 0.000 0.226 474 D C 1.836 177.880 176.300 -0.427 0.000 1.020 474 D CA 1.324 54.725 54.000 -0.999 0.000 0.892 474 D CB 0.057 40.483 40.800 -0.623 0.000 0.900 474 D HN 0.480 nan 8.370 nan 0.000 0.531 475 Q N -0.902 118.748 119.800 -0.251 0.000 2.384 475 Q HA -0.015 4.326 4.340 0.001 0.000 0.207 475 Q C 1.149 177.154 176.000 0.008 0.000 0.904 475 Q CA -0.016 55.734 55.803 -0.088 0.000 0.933 475 Q CB -0.160 28.538 28.738 -0.068 0.000 1.077 475 Q HN 0.468 nan 8.270 nan 0.000 0.522 476 Y N 3.026 123.255 120.300 -0.118 0.000 2.097 476 Y HA -0.093 4.457 4.550 0.000 0.000 0.282 476 Y C -0.932 174.972 175.900 0.007 0.000 1.152 476 Y CA 1.240 59.334 58.100 -0.011 0.000 1.136 476 Y CB -1.248 37.232 38.460 0.033 0.000 0.975 476 Y HN 0.035 nan 8.280 nan 0.000 0.498 477 P HA -0.142 nan 4.420 nan 0.000 0.228 477 P C 1.450 178.648 177.300 -0.169 0.000 1.151 477 P CA 1.307 64.194 63.100 -0.356 0.000 0.770 477 P CB -0.035 31.543 31.700 -0.204 0.000 0.786 478 I N -1.090 119.434 120.570 -0.077 0.000 2.703 478 I HA -0.012 4.158 4.170 0.001 0.000 0.259 478 I C 2.108 178.205 176.117 -0.034 0.000 1.151 478 I CA 0.775 62.075 61.300 -0.000 0.000 1.470 478 I CB -1.653 36.391 38.000 0.073 0.000 1.112 478 I HN -0.080 nan 8.210 nan 0.000 0.437 479 A N 1.321 124.146 122.820 0.008 0.000 1.898 479 A HA -0.117 4.203 4.320 0.001 0.000 0.216 479 A C 2.374 179.898 177.584 -0.099 0.000 1.181 479 A CA 1.045 53.140 52.037 0.096 0.000 0.620 479 A CB -0.763 18.383 19.000 0.242 0.000 0.819 479 A HN 0.327 nan 8.150 nan 0.000 0.442 480 L N -0.642 120.456 121.223 -0.208 0.000 2.013 480 L HA -0.269 4.071 4.340 0.001 0.000 0.212 480 L C 2.733 179.425 176.870 -0.297 0.000 1.073 480 L CA 2.071 56.752 54.840 -0.265 0.000 0.753 480 L CB -0.528 41.334 42.059 -0.329 0.000 0.890 480 L HN 0.564 nan 8.230 nan 0.000 0.432 481 E N 0.425 120.434 120.200 -0.319 0.000 2.072 481 E HA -0.150 4.200 4.350 0.001 0.000 0.191 481 E C 2.064 178.388 176.600 -0.460 0.000 0.985 481 E CA 1.502 57.639 56.400 -0.439 0.000 0.801 481 E CB -0.396 28.892 29.700 -0.687 0.000 0.750 481 E HN 0.337 nan 8.360 nan 0.000 0.452 482 G N 0.217 108.747 108.800 -0.449 0.000 2.408 482 G HA2 -0.185 3.776 3.960 0.001 0.000 0.217 482 G HA3 -0.185 3.776 3.960 0.001 0.000 0.217 482 G C 1.714 175.945 174.900 -1.115 0.000 1.150 482 G CA 0.978 45.737 45.100 -0.568 0.000 0.776 482 G HN 0.454 nan 8.290 nan 0.000 0.542 483 A N 0.677 122.685 122.820 -1.354 0.000 1.865 483 A HA 0.004 4.325 4.320 0.001 0.000 0.217 483 A C 2.355 179.645 177.584 -0.490 0.000 1.191 483 A CA 1.756 53.143 52.037 -1.083 0.000 0.623 483 A CB -0.607 18.079 19.000 -0.524 0.000 0.826 483 A HN 0.432 nan 8.150 nan 0.000 0.444 484 L N -0.446 120.555 121.223 -0.370 0.000 1.990 484 L HA -0.214 4.127 4.340 0.001 0.000 0.213 484 L C 2.215 178.956 176.870 -0.215 0.000 1.072 484 L CA 2.409 57.109 54.840 -0.233 0.000 0.755 484 L CB -0.661 41.271 42.059 -0.212 0.000 0.889 484 L HN 0.173 nan 8.230 nan 0.000 0.432 485 K N -0.548 119.686 120.400 -0.276 0.000 2.001 485 K HA -0.199 4.122 4.320 0.001 0.000 0.214 485 K C 2.165 178.660 176.600 -0.176 0.000 1.050 485 K CA 1.966 58.123 56.287 -0.218 0.000 0.934 485 K CB -1.225 31.129 32.500 -0.243 0.000 0.718 485 K HN 0.345 nan 8.250 nan 0.000 0.443 486 L N 2.050 123.147 121.223 -0.210 0.000 2.046 486 L HA -0.178 4.162 4.340 0.001 0.000 0.208 486 L C 2.287 179.110 176.870 -0.079 0.000 1.077 486 L CA 1.915 56.674 54.840 -0.135 0.000 0.747 486 L CB -0.526 41.490 42.059 -0.073 0.000 0.896 486 L HN 0.288 nan 8.230 nan 0.000 0.432 487 K N -0.931 119.436 120.400 -0.054 0.000 2.103 487 K HA -0.217 4.104 4.320 0.001 0.000 0.204 487 K C 1.976 178.617 176.600 0.068 0.000 1.052 487 K CA 1.700 58.006 56.287 0.032 0.000 0.945 487 K CB -0.592 31.937 32.500 0.049 0.000 0.722 487 K HN 0.461 nan 8.250 nan 0.000 0.443 488 E N 1.040 121.250 120.200 0.016 0.000 2.106 488 E HA -0.127 4.223 4.350 0.001 0.000 0.192 488 E C 2.030 178.677 176.600 0.079 0.000 0.984 488 E CA 1.520 57.958 56.400 0.063 0.000 0.806 488 E CB -0.003 29.698 29.700 0.003 0.000 0.750 488 E HN 0.666 nan 8.360 nan 0.000 0.458 489 I N -2.968 117.557 120.570 -0.074 0.000 4.187 489 I HA 0.175 4.346 4.170 0.001 0.000 0.326 489 I C 1.781 177.605 176.117 -0.488 0.000 1.302 489 I CA 0.344 61.516 61.300 -0.214 0.000 1.196 489 I CB 0.679 38.587 38.000 -0.154 0.000 1.095 489 I HN -0.066 nan 8.210 nan 0.000 0.411 490 S N -0.779 114.679 115.700 -0.404 0.000 2.540 490 S HA 0.121 4.591 4.470 0.001 0.000 0.222 490 S C 0.858 175.228 174.600 -0.383 0.000 1.008 490 S CA -0.033 57.904 58.200 -0.438 0.000 0.939 490 S CB -0.322 62.740 63.200 -0.230 0.000 0.865 490 S HN 0.514 nan 8.310 nan 0.000 0.499 491 Y N -0.032 120.259 120.300 -0.016 0.000 4.899 491 Y HA -0.223 4.327 4.550 0.001 0.000 0.241 491 Y C 0.435 176.349 175.900 0.023 0.000 0.976 491 Y CA -0.327 57.770 58.100 -0.005 0.000 1.952 491 Y CB -2.825 35.631 38.460 -0.007 0.000 1.496 491 Y HN 0.407 nan 8.280 nan 0.000 0.545 492 I N 2.166 122.815 120.570 0.132 0.000 2.683 492 I HA -0.088 4.082 4.170 0.001 0.000 0.286 492 I C 1.348 177.584 176.117 0.199 0.000 1.175 492 I CA 0.255 61.643 61.300 0.148 0.000 1.429 492 I CB 0.237 38.313 38.000 0.128 0.000 1.371 492 I HN 0.140 nan 8.210 nan 0.000 0.569 493 H N 7.084 126.189 119.070 0.059 0.000 3.330 493 H HA 0.340 4.896 4.556 0.001 0.000 0.260 493 H C -0.339 175.087 175.328 0.163 0.000 1.439 493 H CA -0.692 55.403 56.048 0.078 0.000 1.540 493 H CB -0.164 29.613 29.762 0.025 0.000 1.698 493 H HN 0.589 nan 8.280 nan 0.000 0.516 494 A N 4.629 127.658 122.820 0.348 0.000 2.274 494 A HA 0.417 4.737 4.320 0.001 0.000 0.309 494 A C 0.027 177.725 177.584 0.190 0.000 1.226 494 A CA -0.674 51.529 52.037 0.277 0.000 0.853 494 A CB 0.506 19.631 19.000 0.209 0.000 1.146 494 A HN 0.774 nan 8.150 nan 0.000 0.518 495 E N 1.632 121.935 120.200 0.172 0.000 2.238 495 E HA 0.651 5.001 4.350 0.001 0.000 0.267 495 E C -0.712 175.904 176.600 0.026 0.000 0.887 495 E CA -0.742 55.671 56.400 0.021 0.000 0.769 495 E CB 1.928 31.580 29.700 -0.080 0.000 1.187 495 E HN 0.812 nan 8.360 nan 0.000 0.416 496 A N 3.340 126.085 122.820 -0.125 0.000 2.324 496 A HA 0.656 4.977 4.320 0.001 0.000 0.330 496 A C -1.701 175.776 177.584 -0.178 0.000 1.165 496 A CA -0.340 51.693 52.037 -0.006 0.000 0.813 496 A CB 0.486 19.489 19.000 0.006 0.000 1.197 496 A HN 0.573 nan 8.150 nan 0.000 0.484 497 Y N 0.025 120.510 120.300 0.308 0.000 2.524 497 Y HA 0.558 5.108 4.550 0.001 0.000 0.347 497 Y C 0.527 176.600 175.900 0.290 0.000 1.005 497 Y CA -0.418 57.850 58.100 0.280 0.000 1.025 497 Y CB 2.109 40.667 38.460 0.162 0.000 1.275 497 Y HN 0.902 nan 8.280 nan 0.000 0.460 498 A N 1.374 124.295 122.820 0.168 0.000 2.488 498 A HA 0.492 4.813 4.320 0.001 0.000 0.249 498 A C 1.299 178.926 177.584 0.072 0.000 1.083 498 A CA 0.310 52.280 52.037 -0.111 0.000 0.768 498 A CB 0.025 18.620 19.000 -0.675 0.000 1.017 498 A HN 1.120 nan 8.150 nan 0.000 0.496 499 A N 3.072 125.951 122.820 0.099 0.000 1.958 499 A HA -0.062 4.258 4.320 0.001 0.000 0.221 499 A C 2.191 179.801 177.584 0.044 0.000 1.178 499 A CA 2.361 54.450 52.037 0.086 0.000 0.642 499 A CB -1.104 17.946 19.000 0.083 0.000 0.816 499 A HN 1.499 nan 8.150 nan 0.000 0.453 500 G N -0.022 108.798 108.800 0.032 0.000 2.498 500 G HA2 -0.139 3.821 3.960 0.001 0.000 0.219 500 G HA3 -0.139 3.821 3.960 0.001 0.000 0.219 500 G C 1.209 176.160 174.900 0.086 0.000 1.119 500 G CA 0.929 46.054 45.100 0.043 0.000 0.766 500 G HN 0.826 nan 8.290 nan 0.000 0.552 501 E N -0.058 120.189 120.200 0.078 0.000 2.435 501 E HA 0.082 4.432 4.350 0.001 0.000 0.195 501 E C 1.961 178.578 176.600 0.029 0.000 1.029 501 E CA -0.264 56.217 56.400 0.134 0.000 0.865 501 E CB -0.056 29.720 29.700 0.126 0.000 0.833 501 E HN 0.194 nan 8.360 nan 0.000 0.510 502 L N 1.919 123.092 121.223 -0.083 0.000 2.013 502 L HA -0.192 4.148 4.340 0.001 0.000 0.212 502 L C 1.983 178.758 176.870 -0.158 0.000 1.073 502 L CA 1.810 56.541 54.840 -0.182 0.000 0.753 502 L CB -0.640 41.330 42.059 -0.148 0.000 0.890 502 L HN 0.050 nan 8.230 nan 0.000 0.432 503 K N -1.318 118.967 120.400 -0.192 0.000 2.525 503 K HA -0.040 4.280 4.320 0.001 0.000 0.192 503 K C 1.022 177.443 176.600 -0.299 0.000 1.029 503 K CA 0.192 56.332 56.287 -0.245 0.000 1.029 503 K CB -0.053 32.280 32.500 -0.278 0.000 0.814 503 K HN 0.434 nan 8.250 nan 0.000 0.503 504 H N -1.005 118.033 119.070 -0.053 0.000 2.524 504 H HA 0.131 4.687 4.556 0.001 0.000 0.280 504 H C 1.266 176.574 175.328 -0.033 0.000 1.018 504 H CA 0.903 56.931 56.048 -0.033 0.000 1.165 504 H CB 0.975 30.726 29.762 -0.019 0.000 1.411 504 H HN 0.486 nan 8.280 nan 0.000 0.569 505 G N 0.662 109.472 108.800 0.015 0.000 4.020 505 G HA2 -0.198 3.762 3.960 0.001 0.000 0.195 505 G HA3 -0.198 3.762 3.960 0.001 0.000 0.195 505 G C -1.270 173.597 174.900 -0.056 0.000 1.819 505 G CA -0.221 44.878 45.100 -0.002 0.000 1.109 505 G HN 0.185 nan 8.290 nan 0.000 0.385 506 P HA -0.007 nan 4.420 nan 0.000 0.217 506 P C 2.014 179.196 177.300 -0.197 0.000 1.151 506 P CA 1.020 63.978 63.100 -0.238 0.000 0.849 506 P CB -0.066 31.221 31.700 -0.689 0.000 0.787 507 L N -0.581 120.539 121.223 -0.172 0.000 2.263 507 L HA -0.160 4.181 4.340 0.001 0.000 0.216 507 L C 2.144 178.968 176.870 -0.076 0.000 1.111 507 L CA 1.580 56.349 54.840 -0.118 0.000 0.773 507 L CB -1.251 40.745 42.059 -0.104 0.000 0.906 507 L HN -0.095 nan 8.230 nan 0.000 0.439 508 A N -0.925 121.857 122.820 -0.063 0.000 2.076 508 A HA -0.187 4.133 4.320 0.001 0.000 0.220 508 A C 2.177 179.736 177.584 -0.041 0.000 1.160 508 A CA 1.624 53.636 52.037 -0.042 0.000 0.653 508 A CB -0.788 18.195 19.000 -0.028 0.000 0.801 508 A HN 0.498 nan 8.150 nan 0.000 0.455 509 L N 0.034 121.228 121.223 -0.049 0.000 2.362 509 L HA -0.030 4.310 4.340 0.001 0.000 0.219 509 L C 0.147 176.984 176.870 -0.055 0.000 1.134 509 L CA -0.068 54.739 54.840 -0.055 0.000 0.807 509 L CB -0.401 41.634 42.059 -0.040 0.000 0.927 509 L HN 0.270 nan 8.230 nan 0.000 0.447 510 I N 1.440 121.985 120.570 -0.043 0.000 2.496 510 I HA 0.108 4.278 4.170 0.001 0.000 0.285 510 I C -0.112 175.988 176.117 -0.028 0.000 1.080 510 I CA 0.332 61.614 61.300 -0.030 0.000 1.404 510 I CB 0.345 38.328 38.000 -0.027 0.000 1.403 510 I HN 0.144 nan 8.210 nan 0.000 0.539 511 D N 4.108 124.496 120.400 -0.021 0.000 2.692 511 D HA 0.303 4.943 4.640 0.001 0.000 0.303 511 D C 0.192 176.487 176.300 -0.008 0.000 1.278 511 D CA -0.552 53.438 54.000 -0.015 0.000 0.852 511 D CB 0.816 41.606 40.800 -0.015 0.000 1.375 511 D HN 0.322 nan 8.370 nan 0.000 0.453 512 A N -0.428 122.389 122.820 -0.005 0.000 2.186 512 A HA -0.108 4.213 4.320 0.001 0.000 0.219 512 A C 1.021 178.606 177.584 0.002 0.000 1.159 512 A CA 1.512 53.547 52.037 -0.004 0.000 0.680 512 A CB -0.573 18.424 19.000 -0.004 0.000 0.787 512 A HN 0.504 nan 8.150 nan 0.000 0.467 513 D N -1.798 118.608 120.400 0.010 0.000 2.389 513 D HA 0.121 4.762 4.640 0.001 0.000 0.206 513 D C 0.371 176.690 176.300 0.031 0.000 1.055 513 D CA 0.120 54.133 54.000 0.022 0.000 0.856 513 D CB 0.129 40.959 40.800 0.049 0.000 0.957 513 D HN 0.468 nan 8.370 nan 0.000 0.509 514 M N 2.998 122.614 119.600 0.027 0.000 2.105 514 M HA 0.257 4.737 4.480 0.001 0.000 0.350 514 M C -2.664 173.669 176.300 0.056 0.000 1.308 514 M CA -1.917 53.412 55.300 0.049 0.000 1.108 514 M CB 1.351 33.967 32.600 0.026 0.000 1.622 514 M HN -0.320 nan 8.290 nan 0.000 0.468 515 P HA 0.278 nan 4.420 nan 0.000 0.284 515 P C -1.387 175.992 177.300 0.132 0.000 1.253 515 P CA -0.375 62.790 63.100 0.109 0.000 0.800 515 P CB 0.992 32.666 31.700 -0.044 0.000 0.961 516 V N 4.269 124.278 119.914 0.158 0.000 2.482 516 V HA 0.266 4.386 4.120 0.001 0.000 0.295 516 V C 0.119 176.249 176.094 0.061 0.000 1.026 516 V CA -0.574 61.770 62.300 0.075 0.000 0.856 516 V CB 1.331 33.192 31.823 0.064 0.000 1.001 516 V HN 0.330 nan 8.190 nan 0.000 0.424 517 I N 5.371 125.846 120.570 -0.158 0.000 2.385 517 I HA 0.564 4.734 4.170 0.001 0.000 0.294 517 I C -0.045 176.053 176.117 -0.031 0.000 0.988 517 I CA -0.250 60.953 61.300 -0.163 0.000 1.265 517 I CB 1.730 39.344 38.000 -0.642 0.000 1.388 517 I HN 0.322 nan 8.210 nan 0.000 0.480 518 V N 6.086 126.070 119.914 0.117 0.000 2.623 518 V HA 0.463 4.583 4.120 0.001 0.000 0.304 518 V C -0.377 175.861 176.094 0.240 0.000 1.054 518 V CA -0.997 61.388 62.300 0.142 0.000 0.882 518 V CB 2.020 33.876 31.823 0.055 0.000 1.002 518 V HN 0.509 nan 8.190 nan 0.000 0.424 519 V N 1.537 121.587 119.914 0.227 0.000 2.465 519 V HA 0.952 5.073 4.120 0.001 0.000 0.279 519 V C 0.370 176.493 176.094 0.048 0.000 1.045 519 V CA -0.246 62.182 62.300 0.214 0.000 0.938 519 V CB 1.161 33.076 31.823 0.154 0.000 0.986 519 V HN 1.248 nan 8.190 nan 0.000 0.467 520 A N 5.960 128.787 122.820 0.011 0.000 3.007 520 A HA 0.757 5.078 4.320 0.001 0.000 0.314 520 A C -2.741 174.839 177.584 -0.008 0.000 1.153 520 A CA -1.234 50.828 52.037 0.042 0.000 0.780 520 A CB 0.754 19.892 19.000 0.229 0.000 1.258 520 A HN 0.723 nan 8.150 nan 0.000 0.460 521 P HA 0.146 nan 4.420 nan 0.000 0.276 521 P C -0.331 177.003 177.300 0.057 0.000 1.244 521 P CA -0.512 62.527 63.100 -0.101 0.000 0.801 521 P CB 0.672 32.226 31.700 -0.242 0.000 1.006 522 N N 2.100 120.873 118.700 0.121 0.000 2.549 522 N HA 0.023 4.763 4.740 0.001 0.000 0.267 522 N C -0.560 174.975 175.510 0.042 0.000 1.182 522 N CA 0.033 53.132 53.050 0.081 0.000 1.019 522 N CB -1.284 37.255 38.487 0.085 0.000 1.380 522 N HN 0.408 nan 8.380 nan 0.000 0.505 523 N N -0.008 118.708 118.700 0.027 0.000 3.167 523 N HA 0.199 4.940 4.740 0.001 0.000 0.323 523 N C 0.617 176.135 175.510 0.014 0.000 1.478 523 N CA -0.677 52.385 53.050 0.019 0.000 0.753 523 N CB 0.209 38.707 38.487 0.019 0.000 1.721 523 N HN 0.084 nan 8.380 nan 0.000 0.618 524 E N -0.140 120.070 120.200 0.016 0.000 2.463 524 E HA -0.094 4.256 4.350 0.001 0.000 0.201 524 E C 0.613 177.224 176.600 0.018 0.000 1.045 524 E CA 0.931 57.340 56.400 0.015 0.000 0.872 524 E CB -0.436 29.276 29.700 0.021 0.000 0.797 524 E HN 0.689 nan 8.360 nan 0.000 0.538 525 L N 0.112 121.347 121.223 0.019 0.000 2.616 525 L HA 0.097 4.438 4.340 0.001 0.000 0.229 525 L C 2.078 178.964 176.870 0.028 0.000 1.110 525 L CA -0.192 54.662 54.840 0.023 0.000 0.884 525 L CB -0.076 41.995 42.059 0.021 0.000 1.115 525 L HN 0.079 nan 8.230 nan 0.000 0.481 526 L N 0.463 121.700 121.223 0.024 0.000 2.043 526 L HA -0.229 4.111 4.340 0.001 0.000 0.212 526 L C 2.501 179.379 176.870 0.014 0.000 1.075 526 L CA 1.952 56.811 54.840 0.031 0.000 0.752 526 L CB -0.374 41.692 42.059 0.012 0.000 0.891 526 L HN 0.219 nan 8.230 nan 0.000 0.432 527 E N -0.530 119.668 120.200 -0.004 0.000 2.107 527 E HA -0.164 4.187 4.350 0.001 0.000 0.191 527 E C 2.133 178.739 176.600 0.010 0.000 0.982 527 E CA 0.643 57.035 56.400 -0.013 0.000 0.809 527 E CB -0.222 29.465 29.700 -0.022 0.000 0.756 527 E HN 0.361 nan 8.360 nan 0.000 0.459 528 K N 1.193 121.605 120.400 0.020 0.000 2.032 528 K HA -0.125 4.195 4.320 0.001 0.000 0.209 528 K C 2.170 178.796 176.600 0.044 0.000 1.048 528 K CA 0.516 56.820 56.287 0.028 0.000 0.927 528 K CB -0.909 31.609 32.500 0.029 0.000 0.712 528 K HN 0.083 nan 8.250 nan 0.000 0.441 529 L N 1.718 122.978 121.223 0.061 0.000 2.012 529 L HA -0.179 4.161 4.340 0.001 0.000 0.210 529 L C 1.793 178.741 176.870 0.129 0.000 1.073 529 L CA 1.897 56.795 54.840 0.096 0.000 0.748 529 L CB -0.370 41.759 42.059 0.117 0.000 0.891 529 L HN 0.099 nan 8.230 nan 0.000 0.431 530 K N -1.104 119.378 120.400 0.137 0.000 2.152 530 K HA -0.177 4.143 4.320 0.001 0.000 0.206 530 K C 2.299 178.956 176.600 0.095 0.000 1.048 530 K CA 1.481 57.862 56.287 0.156 0.000 0.933 530 K CB -0.315 32.200 32.500 0.025 0.000 0.721 530 K HN 0.498 nan 8.250 nan 0.000 0.447 531 S N 1.130 116.863 115.700 0.055 0.000 2.395 531 S HA -0.093 4.377 4.470 0.001 0.000 0.225 531 S C 1.457 176.077 174.600 0.033 0.000 1.027 531 S CA 1.133 59.353 58.200 0.034 0.000 0.965 531 S CB -0.179 63.030 63.200 0.016 0.000 0.812 531 S HN 0.322 nan 8.310 nan 0.000 0.482 532 N N 1.164 119.888 118.700 0.041 0.000 2.166 532 N HA 0.031 4.771 4.740 0.001 0.000 0.186 532 N C 1.695 177.230 175.510 0.042 0.000 1.019 532 N CA 1.620 54.690 53.050 0.034 0.000 0.856 532 N CB -0.358 38.154 38.487 0.043 0.000 0.993 532 N HN 0.393 nan 8.380 nan 0.000 0.426 533 I N 0.897 121.511 120.570 0.073 0.000 2.163 533 I HA -0.286 3.884 4.170 0.001 0.000 0.243 533 I C 2.504 178.649 176.117 0.046 0.000 1.085 533 I CA 1.282 62.623 61.300 0.069 0.000 1.347 533 I CB -0.214 37.859 38.000 0.123 0.000 1.044 533 I HN 0.183 nan 8.210 nan 0.000 0.408 534 E N 1.313 121.545 120.200 0.053 0.000 2.153 534 E HA -0.241 4.109 4.350 0.001 0.000 0.194 534 E C 1.877 178.481 176.600 0.007 0.000 0.988 534 E CA 1.500 57.917 56.400 0.029 0.000 0.811 534 E CB -0.075 29.643 29.700 0.029 0.000 0.746 534 E HN 0.488 nan 8.360 nan 0.000 0.466 535 E N -0.482 119.719 120.200 0.002 0.000 2.107 535 E HA -0.108 4.243 4.350 0.001 0.000 0.191 535 E C 2.114 178.703 176.600 -0.017 0.000 0.982 535 E CA 1.128 57.520 56.400 -0.014 0.000 0.809 535 E CB 0.084 29.770 29.700 -0.024 0.000 0.756 535 E HN 0.133 nan 8.360 nan 0.000 0.459 536 V N 1.319 121.227 119.914 -0.010 0.000 2.237 536 V HA -0.318 3.803 4.120 0.001 0.000 0.245 536 V C 2.762 178.847 176.094 -0.014 0.000 1.046 536 V CA 2.572 64.865 62.300 -0.011 0.000 1.007 536 V CB -1.004 30.820 31.823 0.001 0.000 0.638 536 V HN 0.355 nan 8.190 nan 0.000 0.445 537 R N 0.079 120.571 120.500 -0.013 0.000 2.127 537 R HA -0.055 4.285 4.340 0.001 0.000 0.238 537 R C 2.232 178.519 176.300 -0.022 0.000 1.134 537 R CA 2.012 58.099 56.100 -0.023 0.000 0.975 537 R CB -1.571 28.715 30.300 -0.024 0.000 0.865 537 R HN 0.669 nan 8.270 nan 0.000 0.447 538 A N 0.560 123.369 122.820 -0.018 0.000 2.015 538 A HA -0.034 4.286 4.320 0.001 0.000 0.219 538 A C 1.862 179.433 177.584 -0.021 0.000 1.163 538 A CA 0.976 53.002 52.037 -0.019 0.000 0.646 538 A CB 0.019 19.009 19.000 -0.017 0.000 0.806 538 A HN 0.383 nan 8.150 nan 0.000 0.448 539 R N -1.261 119.226 120.500 -0.022 0.000 2.388 539 R HA 0.241 4.582 4.340 0.001 0.000 0.247 539 R C 1.148 177.436 176.300 -0.020 0.000 0.931 539 R CA 0.530 56.617 56.100 -0.022 0.000 1.082 539 R CB -0.494 29.791 30.300 -0.025 0.000 1.135 539 R HN 0.779 nan 8.270 nan 0.000 0.525 540 G N -0.269 108.518 108.800 -0.021 0.000 2.194 540 G HA2 -0.238 3.723 3.960 0.001 0.000 0.236 540 G HA3 -0.238 3.723 3.960 0.001 0.000 0.236 540 G C 0.619 175.508 174.900 -0.019 0.000 0.987 540 G CA -0.188 44.899 45.100 -0.020 0.000 0.635 540 G HN 0.583 nan 8.290 nan 0.000 0.520 541 G N -0.300 108.490 108.800 -0.016 0.000 2.562 541 G HA2 0.401 4.361 3.960 0.001 0.000 0.233 541 G HA3 0.401 4.361 3.960 0.001 0.000 0.233 541 G C 0.081 174.972 174.900 -0.015 0.000 1.266 541 G CA 0.140 45.236 45.100 -0.006 0.000 0.852 541 G HN 0.508 nan 8.290 nan 0.000 0.581 542 Q N 0.435 120.240 119.800 0.007 0.000 2.400 542 Q HA 0.357 4.697 4.340 0.001 0.000 0.255 542 Q C -0.627 175.367 176.000 -0.010 0.000 1.008 542 Q CA -0.411 55.388 55.803 -0.007 0.000 0.841 542 Q CB 1.681 30.442 28.738 0.038 0.000 1.220 542 Q HN 0.326 nan 8.270 nan 0.000 0.474 543 L N 2.965 124.104 121.223 -0.139 0.000 2.292 543 L HA 0.309 4.649 4.340 0.001 0.000 0.284 543 L C -0.994 175.661 176.870 -0.359 0.000 1.065 543 L CA -0.262 54.491 54.840 -0.144 0.000 0.806 543 L CB 0.439 42.418 42.059 -0.134 0.000 1.175 543 L HN 0.494 nan 8.230 nan 0.000 0.431 544 Y N 2.833 123.098 120.300 -0.060 0.000 2.447 544 Y HA 0.470 5.020 4.550 0.001 0.000 0.325 544 Y C -0.432 175.321 175.900 -0.245 0.000 0.976 544 Y CA -0.902 57.118 58.100 -0.134 0.000 1.280 544 Y CB 1.376 39.791 38.460 -0.074 0.000 1.104 544 Y HN 0.139 nan 8.280 nan 0.000 0.486 545 V N 4.635 124.385 119.914 -0.274 0.000 2.347 545 V HA 0.306 4.427 4.120 0.001 0.000 0.280 545 V C -0.524 175.379 176.094 -0.318 0.000 1.021 545 V CA -0.937 61.181 62.300 -0.303 0.000 0.847 545 V CB 0.508 31.971 31.823 -0.599 0.000 0.990 545 V HN 0.465 nan 8.190 nan 0.000 0.444 546 F N 3.835 123.822 119.950 0.060 0.000 2.368 546 F HA 0.663 5.191 4.527 0.001 0.000 0.362 546 F C 0.710 176.690 175.800 0.301 0.000 1.137 546 F CA -0.137 57.968 58.000 0.176 0.000 1.161 546 F CB 0.901 40.042 39.000 0.234 0.000 1.265 546 F HN 0.556 nan 8.300 nan 0.000 0.530 547 A N 2.867 125.900 122.820 0.355 0.000 2.355 547 A HA 0.416 4.737 4.320 0.001 0.000 0.317 547 A C -0.716 177.134 177.584 0.443 0.000 1.094 547 A CA -0.898 51.378 52.037 0.398 0.000 0.764 547 A CB 0.682 19.889 19.000 0.345 0.000 1.230 547 A HN 0.667 nan 8.150 nan 0.000 0.448 548 D N 1.187 121.885 120.400 0.496 0.000 2.629 548 D HA -0.047 4.593 4.640 0.001 0.000 0.228 548 D C 1.275 177.761 176.300 0.310 0.000 1.127 548 D CA 0.843 55.093 54.000 0.416 0.000 0.855 548 D CB 0.585 41.619 40.800 0.390 0.000 1.180 548 D HN 0.586 nan 8.370 nan 0.000 0.484 549 Q N 1.387 121.324 119.800 0.227 0.000 2.217 549 Q HA -0.196 4.145 4.340 0.001 0.000 0.209 549 Q C 0.284 176.399 176.000 0.192 0.000 0.988 549 Q CA 1.320 57.212 55.803 0.148 0.000 0.878 549 Q CB 0.162 28.892 28.738 -0.014 0.000 0.909 549 Q HN 0.573 nan 8.270 nan 0.000 0.424 550 D N -1.652 118.909 120.400 0.269 0.000 2.463 550 D HA 0.160 4.801 4.640 0.001 0.000 0.224 550 D C 0.531 176.895 176.300 0.107 0.000 1.174 550 D CA 0.096 54.207 54.000 0.184 0.000 0.829 550 D CB 0.592 41.506 40.800 0.190 0.000 0.993 550 D HN 0.181 nan 8.370 nan 0.000 0.497 551 A N 0.045 122.943 122.820 0.129 0.000 2.119 551 A HA 0.292 4.612 4.320 0.001 0.000 0.216 551 A C 1.823 179.296 177.584 -0.186 0.000 1.152 551 A CA 1.049 53.092 52.037 0.011 0.000 0.708 551 A CB -0.173 18.927 19.000 0.167 0.000 0.805 551 A HN 0.283 nan 8.150 nan 0.000 0.460 552 G N -1.975 106.785 108.800 -0.066 0.000 2.137 552 G HA2 -0.258 3.703 3.960 0.001 0.000 0.237 552 G HA3 -0.258 3.703 3.960 0.001 0.000 0.237 552 G C 0.011 174.829 174.900 -0.137 0.000 1.002 552 G CA 0.034 45.075 45.100 -0.100 0.000 0.702 552 G HN 0.346 nan 8.290 nan 0.000 0.515 553 F N -0.166 119.798 119.950 0.023 0.000 2.518 553 F HA 0.440 4.968 4.527 0.001 0.000 0.359 553 F C 1.016 176.810 175.800 -0.010 0.000 1.118 553 F CA -0.178 57.825 58.000 0.005 0.000 1.287 553 F CB 1.252 40.258 39.000 0.009 0.000 1.132 553 F HN 0.018 nan 8.300 nan 0.000 0.587 554 V N 2.539 122.568 119.914 0.193 0.000 2.409 554 V HA 0.291 4.411 4.120 0.001 0.000 0.291 554 V C -0.304 175.809 176.094 0.033 0.000 1.020 554 V CA -1.178 61.170 62.300 0.080 0.000 0.848 554 V CB 1.163 33.007 31.823 0.034 0.000 0.990 554 V HN 0.808 nan 8.190 nan 0.000 0.430 555 S N 3.767 119.460 115.700 -0.011 0.000 2.579 555 S HA 0.715 5.185 4.470 0.001 0.000 0.275 555 S C 0.289 174.822 174.600 -0.111 0.000 1.345 555 S CA -0.007 58.139 58.200 -0.089 0.000 1.031 555 S CB 1.127 64.273 63.200 -0.091 0.000 0.892 555 S HN 1.394 nan 8.310 nan 0.000 0.529 556 S N -0.340 115.244 115.700 -0.194 0.000 2.694 556 S HA 0.345 4.815 4.470 0.001 0.000 0.273 556 S C -0.026 174.399 174.600 -0.290 0.000 1.180 556 S CA -0.738 57.353 58.200 -0.182 0.000 0.864 556 S CB 0.072 63.200 63.200 -0.121 0.000 1.198 556 S HN 0.493 nan 8.310 nan 0.000 0.499 557 D N 2.196 122.470 120.400 -0.210 0.000 2.200 557 D HA -0.181 4.460 4.640 0.001 0.000 0.192 557 D C 1.098 177.220 176.300 -0.297 0.000 1.008 557 D CA 2.223 56.099 54.000 -0.206 0.000 0.872 557 D CB -0.508 40.225 40.800 -0.112 0.000 0.923 557 D HN 0.747 nan 8.370 nan 0.000 0.447 558 N N -0.535 117.999 118.700 -0.277 0.000 2.204 558 N HA 0.052 4.793 4.740 0.001 0.000 0.219 558 N C -0.220 175.087 175.510 -0.338 0.000 1.151 558 N CA -0.147 52.749 53.050 -0.257 0.000 0.867 558 N CB 0.399 38.807 38.487 -0.131 0.000 1.043 558 N HN 0.078 nan 8.380 nan 0.000 0.516 559 M N 1.316 120.634 119.600 -0.469 0.000 1.980 559 M HA 0.281 4.761 4.480 0.001 0.000 0.282 559 M C -1.878 174.132 176.300 -0.484 0.000 0.878 559 M CA -0.287 54.783 55.300 -0.383 0.000 0.900 559 M CB 0.592 33.063 32.600 -0.216 0.000 1.577 559 M HN 0.018 nan 8.290 nan 0.000 0.396 560 H N 3.977 122.801 119.070 -0.409 0.000 2.652 560 H HA 0.476 5.032 4.556 0.001 0.000 0.298 560 H C -0.679 174.464 175.328 -0.307 0.000 1.076 560 H CA -0.257 55.574 56.048 -0.362 0.000 1.360 560 H CB 0.725 30.181 29.762 -0.509 0.000 1.421 560 H HN 0.437 nan 8.280 nan 0.000 0.464 561 I N 5.081 125.575 120.570 -0.128 0.000 2.330 561 I HA 0.169 4.339 4.170 0.001 0.000 0.289 561 I C -0.118 175.938 176.117 -0.102 0.000 1.001 561 I CA -0.786 60.430 61.300 -0.140 0.000 1.193 561 I CB 0.665 38.628 38.000 -0.062 0.000 1.345 561 I HN 0.523 nan 8.210 nan 0.000 0.461 562 I N 5.896 126.359 120.570 -0.178 0.000 2.310 562 I HA 0.142 4.312 4.170 0.001 0.000 0.287 562 I C 0.727 176.854 176.117 0.017 0.000 1.073 562 I CA -0.304 60.922 61.300 -0.123 0.000 1.216 562 I CB 0.188 37.976 38.000 -0.353 0.000 1.415 562 I HN 0.362 nan 8.210 nan 0.000 0.480 563 E N 7.052 127.284 120.200 0.053 0.000 2.491 563 E HA 0.055 4.406 4.350 0.001 0.000 0.250 563 E C -0.274 176.396 176.600 0.116 0.000 1.061 563 E CA 0.191 56.648 56.400 0.096 0.000 0.942 563 E CB 0.359 30.099 29.700 0.067 0.000 0.957 563 E HN 0.426 nan 8.360 nan 0.000 0.480 564 M N 4.114 123.818 119.600 0.174 0.000 2.249 564 M HA 0.278 4.758 4.480 0.001 0.000 0.351 564 M C -2.157 174.226 176.300 0.139 0.000 1.180 564 M CA -2.383 53.020 55.300 0.171 0.000 1.127 564 M CB 0.224 32.945 32.600 0.202 0.000 1.546 564 M HN 0.054 nan 8.290 nan 0.000 0.461 565 P HA 0.085 nan 4.420 nan 0.000 0.272 565 P C -0.494 176.803 177.300 -0.005 0.000 1.230 565 P CA -0.060 63.041 63.100 0.001 0.000 0.788 565 P CB 0.302 32.057 31.700 0.092 0.000 0.949 566 H N -0.474 118.606 119.070 0.017 0.000 2.771 566 H HA 0.329 4.886 4.556 0.001 0.000 0.364 566 H C 0.083 175.292 175.328 -0.198 0.000 1.133 566 H CA 0.054 56.086 56.048 -0.026 0.000 1.423 566 H CB 0.384 30.143 29.762 -0.006 0.000 1.425 566 H HN 0.113 nan 8.280 nan 0.000 0.606 567 V N 1.890 121.768 119.914 -0.060 0.000 3.087 567 V HA 0.178 4.299 4.120 0.001 0.000 0.306 567 V C -0.821 175.224 176.094 -0.082 0.000 1.187 567 V CA -0.917 61.220 62.300 -0.272 0.000 0.999 567 V CB 2.434 33.786 31.823 -0.784 0.000 1.049 567 V HN 0.763 nan 8.190 nan 0.000 0.431 568 E N 2.521 122.673 120.200 -0.081 0.000 2.415 568 E HA 0.107 4.457 4.350 0.001 0.000 0.263 568 E C 0.772 177.383 176.600 0.017 0.000 0.995 568 E CA 0.492 56.886 56.400 -0.010 0.000 0.915 568 E CB 0.909 30.608 29.700 -0.001 0.000 0.951 568 E HN 0.737 nan 8.360 nan 0.000 0.449 569 E N 2.765 122.989 120.200 0.039 0.000 2.070 569 E HA -0.209 4.142 4.350 0.001 0.000 0.197 569 E C 1.637 178.292 176.600 0.091 0.000 1.004 569 E CA 1.228 57.670 56.400 0.069 0.000 0.805 569 E CB -0.245 29.489 29.700 0.057 0.000 0.744 569 E HN 0.423 nan 8.360 nan 0.000 0.451 570 V N 0.905 120.840 119.914 0.035 0.000 2.392 570 V HA -0.223 3.898 4.120 0.001 0.000 0.249 570 V C 2.070 178.162 176.094 -0.003 0.000 1.059 570 V CA 2.131 64.414 62.300 -0.027 0.000 1.051 570 V CB -0.470 31.259 31.823 -0.157 0.000 0.658 570 V HN 0.535 nan 8.190 nan 0.000 0.455 571 I N -1.753 118.829 120.570 0.019 0.000 3.793 571 I HA 0.353 4.523 4.170 0.001 0.000 0.315 571 I C 2.091 178.340 176.117 0.219 0.000 1.275 571 I CA 0.817 62.167 61.300 0.082 0.000 1.214 571 I CB -0.520 37.486 38.000 0.009 0.000 1.018 571 I HN 0.132 nan 8.210 nan 0.000 0.439 572 A N 2.480 125.447 122.820 0.245 0.000 1.940 572 A HA -0.004 4.317 4.320 0.001 0.000 0.219 572 A C 0.180 178.033 177.584 0.448 0.000 1.176 572 A CA 1.556 53.818 52.037 0.373 0.000 0.631 572 A CB -1.755 17.414 19.000 0.282 0.000 0.814 572 A HN 0.380 nan 8.150 nan 0.000 0.446 573 P HA -0.144 nan 4.420 nan 0.000 0.216 573 P C 1.292 178.753 177.300 0.268 0.000 1.150 573 P CA 1.044 64.291 63.100 0.246 0.000 0.837 573 P CB -0.130 31.655 31.700 0.142 0.000 0.786 574 I N -2.582 118.155 120.570 0.279 0.000 2.252 574 I HA -0.203 3.967 4.170 0.001 0.000 0.245 574 I C 2.251 178.497 176.117 0.216 0.000 1.102 574 I CA 1.276 62.700 61.300 0.206 0.000 1.385 574 I CB -0.636 37.462 38.000 0.164 0.000 1.064 574 I HN -0.127 nan 8.210 nan 0.000 0.414 575 F N 0.951 120.966 119.950 0.108 0.000 2.146 575 F HA -0.235 4.293 4.527 0.001 0.000 0.298 575 F C 2.196 177.972 175.800 -0.039 0.000 1.096 575 F CA 1.548 59.563 58.000 0.024 0.000 1.275 575 F CB -0.218 38.803 39.000 0.034 0.000 1.008 575 F HN -0.075 nan 8.300 nan 0.000 0.480 576 Y N 0.115 120.481 120.300 0.110 0.000 2.561 576 Y HA -0.098 4.452 4.550 0.001 0.000 0.291 576 Y C 2.422 178.253 175.900 -0.116 0.000 1.141 576 Y CA 1.284 59.370 58.100 -0.024 0.000 1.303 576 Y CB -0.869 37.648 38.460 0.094 0.000 1.015 576 Y HN 0.006 nan 8.280 nan 0.000 0.547 577 T N -0.920 113.669 114.554 0.057 0.000 2.777 577 T HA -0.153 4.198 4.350 0.001 0.000 0.266 577 T C 2.178 176.798 174.700 -0.133 0.000 1.040 577 T CA 1.464 63.575 62.100 0.018 0.000 1.141 577 T CB -0.587 68.398 68.868 0.196 0.000 0.868 577 T HN 0.082 nan 8.240 nan 0.000 0.444 578 V N 3.056 122.852 119.914 -0.197 0.000 2.252 578 V HA -0.167 3.953 4.120 0.001 0.000 0.249 578 V C -0.240 175.669 176.094 -0.309 0.000 1.056 578 V CA 1.986 64.129 62.300 -0.261 0.000 1.022 578 V CB -1.785 29.842 31.823 -0.328 0.000 0.641 578 V HN 0.425 nan 8.190 nan 0.000 0.445 579 P HA -0.137 nan 4.420 nan 0.000 0.219 579 P C 1.805 178.837 177.300 -0.447 0.000 1.146 579 P CA 1.480 64.296 63.100 -0.474 0.000 0.808 579 P CB -0.052 31.153 31.700 -0.825 0.000 0.779 580 L N -0.838 120.143 121.223 -0.403 0.000 2.156 580 L HA -0.094 4.246 4.340 0.001 0.000 0.208 580 L C 2.925 179.708 176.870 -0.144 0.000 1.095 580 L CA 1.183 55.897 54.840 -0.210 0.000 0.770 580 L CB -1.035 40.950 42.059 -0.123 0.000 0.914 580 L HN -0.031 nan 8.230 nan 0.000 0.439 581 Q N 0.254 119.954 119.800 -0.167 0.000 2.050 581 Q HA -0.194 4.146 4.340 0.001 0.000 0.202 581 Q C 2.396 178.356 176.000 -0.067 0.000 0.980 581 Q CA 1.418 57.140 55.803 -0.135 0.000 0.840 581 Q CB -0.191 28.455 28.738 -0.154 0.000 0.898 581 Q HN 0.489 nan 8.270 nan 0.000 0.424 582 L N 0.098 121.284 121.223 -0.062 0.000 2.046 582 L HA -0.217 4.123 4.340 0.001 0.000 0.208 582 L C 2.395 179.372 176.870 0.179 0.000 1.077 582 L CA 0.607 55.502 54.840 0.090 0.000 0.747 582 L CB -0.407 41.684 42.059 0.052 0.000 0.896 582 L HN 0.264 nan 8.230 nan 0.000 0.432 583 L N 0.091 121.345 121.223 0.051 0.000 2.017 583 L HA -0.147 4.194 4.340 0.001 0.000 0.208 583 L C 2.674 179.510 176.870 -0.056 0.000 1.073 583 L CA 1.971 56.815 54.840 0.007 0.000 0.745 583 L CB -0.692 41.355 42.059 -0.020 0.000 0.894 583 L HN 0.153 nan 8.230 nan 0.000 0.432 584 A N -1.302 121.485 122.820 -0.055 0.000 1.917 584 A HA -0.324 3.996 4.320 0.001 0.000 0.219 584 A C 2.307 179.847 177.584 -0.073 0.000 1.182 584 A CA 2.118 54.100 52.037 -0.092 0.000 0.633 584 A CB -1.256 17.682 19.000 -0.104 0.000 0.819 584 A HN 0.646 nan 8.150 nan 0.000 0.448 585 Y N -0.042 120.178 120.300 -0.134 0.000 2.114 585 Y HA -0.226 4.325 4.550 0.001 0.000 0.284 585 Y C 2.547 178.317 175.900 -0.216 0.000 1.143 585 Y CA 2.186 60.172 58.100 -0.189 0.000 1.135 585 Y CB -0.515 37.835 38.460 -0.182 0.000 0.980 585 Y HN 0.492 nan 8.280 nan 0.000 0.499 586 H N -1.202 117.773 119.070 -0.158 0.000 2.395 586 H HA -0.090 4.466 4.556 0.001 0.000 0.299 586 H C 2.428 177.622 175.328 -0.223 0.000 1.070 586 H CA 1.664 57.581 56.048 -0.220 0.000 1.356 586 H CB -0.264 29.470 29.762 -0.046 0.000 1.401 586 H HN 0.307 nan 8.280 nan 0.000 0.524 587 V N 1.307 121.149 119.914 -0.119 0.000 2.295 587 V HA -0.264 3.856 4.120 0.001 0.000 0.246 587 V C 2.907 178.885 176.094 -0.194 0.000 1.049 587 V CA 1.580 63.784 62.300 -0.161 0.000 1.024 587 V CB -1.105 30.555 31.823 -0.272 0.000 0.648 587 V HN 0.441 nan 8.190 nan 0.000 0.447 588 A N -0.223 122.438 122.820 -0.264 0.000 1.927 588 A HA -0.227 4.094 4.320 0.001 0.000 0.220 588 A C 2.257 179.647 177.584 -0.323 0.000 1.185 588 A CA 2.142 53.987 52.037 -0.319 0.000 0.639 588 A CB -0.606 18.182 19.000 -0.354 0.000 0.820 588 A HN 0.511 nan 8.150 nan 0.000 0.451 589 L N -1.502 119.485 121.223 -0.393 0.000 2.027 589 L HA -0.166 4.174 4.340 0.001 0.000 0.206 589 L C 2.486 179.261 176.870 -0.158 0.000 1.074 589 L CA 1.356 56.006 54.840 -0.316 0.000 0.745 589 L CB -0.472 41.346 42.059 -0.401 0.000 0.898 589 L HN 0.324 nan 8.230 nan 0.000 0.433 590 I N -0.343 120.159 120.570 -0.114 0.000 2.394 590 I HA -0.224 3.946 4.170 0.001 0.000 0.251 590 I C 2.372 178.458 176.117 -0.051 0.000 1.136 590 I CA 1.197 62.466 61.300 -0.051 0.000 1.425 590 I CB -0.253 37.741 38.000 -0.009 0.000 1.079 590 I HN 0.061 nan 8.210 nan 0.000 0.425 591 K N 0.479 120.830 120.400 -0.081 0.000 2.439 591 K HA 0.092 4.412 4.320 0.001 0.000 0.197 591 K C 1.347 177.908 176.600 -0.065 0.000 1.041 591 K CA 0.908 57.153 56.287 -0.070 0.000 0.970 591 K CB -0.495 31.939 32.500 -0.110 0.000 0.773 591 K HN 0.412 nan 8.250 nan 0.000 0.479 592 G N 2.394 111.144 108.800 -0.084 0.000 2.176 592 G HA2 -0.273 3.687 3.960 0.001 0.000 0.252 592 G HA3 -0.273 3.687 3.960 0.001 0.000 0.252 592 G C 0.279 175.140 174.900 -0.065 0.000 1.024 592 G CA 0.856 45.920 45.100 -0.060 0.000 0.755 592 G HN 0.420 nan 8.290 nan 0.000 0.507 593 T N -2.929 111.545 114.554 -0.134 0.000 2.936 593 T HA 0.567 4.917 4.350 0.001 0.000 0.282 593 T C 0.021 174.640 174.700 -0.135 0.000 1.003 593 T CA -0.254 61.757 62.100 -0.147 0.000 1.005 593 T CB 2.238 70.879 68.868 -0.379 0.000 1.097 593 T HN 0.016 nan 8.240 nan 0.000 0.532 594 D N 1.417 121.773 120.400 -0.072 0.000 2.608 594 D HA 0.111 4.752 4.640 0.001 0.000 0.224 594 D C 1.576 177.814 176.300 -0.103 0.000 1.123 594 D CA -0.094 53.877 54.000 -0.049 0.000 1.030 594 D CB 0.023 40.818 40.800 -0.009 0.000 1.093 594 D HN 0.399 nan 8.370 nan 0.000 0.497 595 V N 2.499 122.282 119.914 -0.217 0.000 2.257 595 V HA -0.335 3.785 4.120 0.001 0.000 0.257 595 V C 1.847 177.875 176.094 -0.110 0.000 1.077 595 V CA 1.987 64.132 62.300 -0.258 0.000 1.063 595 V CB -0.191 31.296 31.823 -0.560 0.000 0.664 595 V HN 0.462 nan 8.190 nan 0.000 0.450 596 D N -1.082 119.296 120.400 -0.036 0.000 2.249 596 D HA 0.010 4.650 4.640 0.001 0.000 0.205 596 D C 1.192 177.484 176.300 -0.014 0.000 0.962 596 D CA 0.687 54.717 54.000 0.050 0.000 0.860 596 D CB 0.048 40.969 40.800 0.202 0.000 0.955 596 D HN 0.585 nan 8.370 nan 0.000 0.505 597 Q N 0.957 120.691 119.800 -0.110 0.000 2.932 597 Q HA 0.255 4.596 4.340 0.001 0.000 0.248 597 Q C -2.526 173.425 176.000 -0.082 0.000 0.982 597 Q CA -1.655 53.962 55.803 -0.309 0.000 0.730 597 Q CB 2.413 30.541 28.738 -1.017 0.000 1.249 597 Q HN 0.029 nan 8.270 nan 0.000 0.476 598 P HA -0.062 nan 4.420 nan 0.000 0.269 598 P C -0.509 176.989 177.300 0.329 0.000 1.209 598 P CA -0.130 63.135 63.100 0.275 0.000 0.776 598 P CB 0.623 32.486 31.700 0.271 0.000 0.876 599 R N 2.079 122.751 120.500 0.285 0.000 2.698 599 R HA 0.073 4.414 4.340 0.001 0.000 0.266 599 R C 0.301 176.619 176.300 0.029 0.000 1.026 599 R CA 0.196 56.361 56.100 0.110 0.000 1.102 599 R CB -0.746 29.499 30.300 -0.092 0.000 0.978 599 R HN 0.552 nan 8.270 nan 0.000 0.436 600 N N -0.983 117.731 118.700 0.023 0.000 2.980 600 N HA -0.194 4.547 4.740 0.001 0.000 0.219 600 N C -0.808 174.666 175.510 -0.061 0.000 0.883 600 N CA 0.952 53.975 53.050 -0.046 0.000 1.018 600 N CB -0.833 37.602 38.487 -0.087 0.000 1.041 600 N HN 0.450 nan 8.380 nan 0.000 0.592 601 L N -0.199 121.011 121.223 -0.022 0.000 2.235 601 L HA 0.944 5.284 4.340 0.001 0.000 0.260 601 L C -0.267 176.431 176.870 -0.286 0.000 1.025 601 L CA -0.751 54.050 54.840 -0.065 0.000 0.836 601 L CB 1.814 43.909 42.059 0.060 0.000 1.395 601 L HN 0.087 nan 8.230 nan 0.000 0.443 602 A N 0.253 122.957 122.820 -0.194 0.000 2.594 602 A HA 0.513 4.834 4.320 0.001 0.000 0.291 602 A C -1.463 176.124 177.584 0.005 0.000 1.105 602 A CA -0.641 51.273 52.037 -0.205 0.000 0.694 602 A CB 1.668 20.464 19.000 -0.341 0.000 1.291 602 A HN 0.545 nan 8.150 nan 0.000 0.410 603 K N 1.038 121.493 120.400 0.093 0.000 2.339 603 K HA 0.469 4.789 4.320 0.001 0.000 0.286 603 K C -0.800 175.821 176.600 0.035 0.000 1.050 603 K CA 0.758 57.115 56.287 0.117 0.000 0.956 603 K CB 0.085 32.761 32.500 0.293 0.000 0.990 603 K HN 1.112 nan 8.250 nan 0.000 0.475 604 S N 1.249 116.964 115.700 0.026 0.000 3.336 604 S HA -0.108 4.363 4.470 0.001 0.000 0.759 604 S C -0.531 174.052 174.600 -0.029 0.000 0.608 604 S CA -0.244 57.959 58.200 0.006 0.000 1.491 604 S CB -1.026 62.186 63.200 0.020 0.000 0.999 604 S HN 0.471 nan 8.310 nan 0.000 0.929 605 V N 3.752 123.652 119.914 -0.022 0.000 2.287 605 V HA 0.221 4.341 4.120 0.001 0.000 0.246 605 V C 1.673 177.752 176.094 -0.026 0.000 1.165 605 V CA 0.614 62.895 62.300 -0.031 0.000 1.088 605 V CB -0.085 31.725 31.823 -0.021 0.000 1.242 605 V HN 1.050 nan 8.190 nan 0.000 0.497 606 T N 0.208 114.739 114.554 -0.038 0.000 3.086 606 T HA 0.298 4.648 4.350 0.001 0.000 0.250 606 T C 0.210 174.893 174.700 -0.028 0.000 1.074 606 T CA -0.170 61.911 62.100 -0.032 0.000 0.988 606 T CB 0.323 69.166 68.868 -0.041 0.000 0.988 606 T HN 0.266 nan 8.240 nan 0.000 0.530 607 V N 1.276 121.172 119.914 -0.029 0.000 2.686 607 V HA 0.370 4.490 4.120 0.001 0.000 0.306 607 V C 0.118 176.207 176.094 -0.007 0.000 1.065 607 V CA -1.349 60.941 62.300 -0.017 0.000 0.894 607 V CB 2.137 33.944 31.823 -0.027 0.000 1.004 607 V HN 0.451 nan 8.190 nan 0.000 0.424 608 E N 0.000 120.207 120.200 0.011 0.000 2.725 608 E HA 0.000 4.350 4.350 0.001 0.000 0.291 608 E CA 0.000 56.415 56.400 0.025 0.000 0.976 608 E CB 0.000 29.735 29.700 0.058 0.000 0.812 608 E HN 0.000 nan 8.360 nan 0.000 0.440