PDB chain wt pos sub res_score ec1 d1 aa1 ec2 d2 aa2 ec3 d3 aa3 ec4 d4 aa4 ec5 d5 aa5 ec6 d6 aa6 rsa temp pH volume sT depth count sec_str ddG 1A23 @ H 32 L -0.40298 -0.25524 -1 P -0.6013 1 C 0.19418 3 Q -0.0414 4 F -0.16685 -2 C -0.08603 2 Y 31.56 30 7 15.2 0.16 B 0 H 4.6 1A23 @ H 32 L -0.40298 -0.25524 -1 P -0.6013 1 C 0.19418 3 Q -0.0414 4 F -0.16685 -2 C -0.08603 2 Y 31.56 30 7 15.2 0.16 B 0 H 5.3 1A23 @ H 32 S -0.76089 -0.31628 -1 P -0.42691 1 C -0.21234 3 Q -0.3659 4 F -0.17421 -2 C -0.1133 2 Y 31.56 30 7 15.2 0.16 B 0 H 3.6 1A23 @ H 32 S -0.76089 -0.31628 -1 P -0.42691 1 C -0.21234 3 Q -0.3659 4 F -0.17421 -2 C -0.1133 2 Y 31.56 30 7 15.2 0.16 B 0 H 5.2 1A23 @ H 32 Y 0.48364 0.09415 -1 P -0.00654 1 C 0.3639 3 Q 0.25451 4 F 0.08556 -2 C 0.17951 2 Y 31.56 30 7 15.2 0.16 B 0 H 0.5 1A23 @ H 32 Y 0.48364 0.09415 -1 P -0.00654 1 C 0.3639 3 Q 0.25451 4 F 0.08556 -2 C 0.17951 2 Y 31.56 30 7 15.2 0.16 B 0 H 6.8 1A23 @ H 32 Y 0.48364 0.09415 -1 P -0.00654 1 C 0.3639 3 Q 0.25451 4 F 0.08556 -2 C 0.17951 2 Y 31.56 30 7 15.2 0.16 B 0 H 6.8 1AAR A K 6 E 0.91039 0.49333 1 T -0.01253 -1 V 0.2303 6 T 0.6693 62 H 0.39507 5 K 0.23565 63 L 49 25 5 8.4 0.12 U 1 S 0.53 1AAR A K 6 Q 1.7646 0.72107 1 T 0.83542 -1 V 0.31709 6 T 0.92174 62 H 0.03571 5 K 0.49485 63 L 49 25 5 8.4 0.12 U 1 S 0.26 1AAR A F 45 W -1.48804 -0.36816 -1 I -0.0757 1 A -0.83908 22 L -0.19389 3 K 0.11679 2 G 0.08665 23 H 18.49 25 5 20.9 0.18 U 1 S 0.32 1AAR A H 68 E -1.21739 -0.37226 1 L -0.35821 -1 L 0.90869 -62 K -0.98874 -24 I 0.11703 -63 V 0.19335 -61 T 40.79 25 5 11.9 0.15 B 0 S 0.77 1AAR A H 68 Q -0.60033 -0.21961 1 L -0.1778 -1 L 0.41989 -62 K -0.47356 -24 I -0.00118 -63 V 0.10985 -61 T 40.79 25 5 11.9 0.15 B 0 S 0.55 1AAR A K 27 Q 0.54506 -0.33187 -1 V 0.23601 1 A -0.07072 3 I -0.56689 -3 E 0.73559 11 P -0.30727 -2 N 7.83 25 5 19.2 0.12 B 0 H -1.91 1AAR A K 29 N -0.91114 -0.24162 1 I 0.00722 -1 A 0.02123 -3 V -0.21838 3 D -0.03826 -2 K -0.17495 2 Q 32.43 25 5 13.2 0.13 U 3 H -1.48 1AAR A K 29 Q -0.59529 0.0094 1 I -0.00593 -1 A 0.18377 -3 V -0.32673 3 D 0.1109 -2 K -0.08248 2 Q 32.43 25 5 13.2 0.13 U 3 H -1.67 1AAR A R 42 E -2.25699 -0.5688 -1 Q -1.33621 1 L -0.44483 28 V -0.32924 27 L 0.09422 29 L -0.31981 2 I 36.72 25 5 13.6 0.19 B 0 S 1.63 1AAR A R 72 Q -0.16277 0.18412 -1 L -0.22379 1 L 0.063 -32 Q 0.09283 -31 Q 0.05715 -2 V 0.12495 -30 R 51.14 25 5 10.9 0.16 B 0 S -0.33 1AG2 @ E 200 K 0.5107 0.3906 -1 T 0.25395 1 T 0.38015 3 V 0.61261 2 D -0.13995 4 K 0.03802 -2 F 79.39 25 7 10.3 0.12 S 10 H -0.14 1AG2 @ F 198 S -0.95361 -0.13973 -1 N -0.10726 1 T -0.40868 4 D -0.46576 5 V 0.04267 -10 T -0.15871 2 E 6.13 25 7 24.8 0.16 B 0 C -2.46 1AG2 @ M 129 V -0.69673 -0.19175 1 L -0.46446 -1 Y -0.12742 -5 G -0.46126 34 Y -0.38608 33 Y -0.13793 2 G 44.38 25 7 12.2 0.13 U 3 S -0.33 1AG2 @ Q 217 R 0.14356 -0.59319 -1 T 0.34471 1 Y 0.00673 -2 V -0.34096 2 Q 0.83308 -3 C -0.03011 -83 M 22.96 25 7 15.3 0.1 B 0 H -2.13 1AG2 @ R 208 H -0.95832 -0.30989 1 V -1.02463 -1 E -0.72082 3 E 0.02425 -2 M -0.75381 2 V 0.05789 -3 M 43.23 25 7 19.2 0.12 B 0 H -1.44 1AG2 @ T 183 A 0.30887 -0.11014 1 I 0.19646 -1 I -0.06795 3 Q 0.37845 -4 C 0.01647 2 K 0.20625 -22 V 2.45 25 7 17.3 0.12 B 0 H -4.62 1AG2 @ T 190 V 0.08129 0.34938 -1 V -0.0938 1 T -0.17355 3 T 0.10346 -4 Q 0.18322 -2 T 0.04764 2 T 52.56 25 7 9 0.08 U 1 H -0.17 1AG2 @ V 180 I 0.06414 -0.02103 1 N -0.16354 -1 C 0.10889 4 I 0.11284 -3 H 0.12004 27 E -0.07372 -4 V 27 25 7 15.7 0.13 B 0 H -0.5 1AG2 @ V 210 I 0.31845 0.02682 -1 V 0.16977 1 E 0.12774 3 M 0.20278 -3 E 0.19007 2 Q -0.09651 -2 R 0 25 7 20.5 0.08 B 0 H -0.26 1AJ3 @ W 22 F 0.27379 0.54447 1 I -0.24654 -1 S 0.078 3 E -0.02746 -3 E 0.12688 2 K 0.30714 4 K 32.89 25 7.5 11.1 0.16 B 0 H -1.11 1AKK @ L 94 V -0.62056 -0.2333 1 I 0.04307 -1 D 0.00962 -88 G 0.04016 2 A -0.11596 3 Y -0.16292 -4 E 2.46 83 2 18.2 0.12 B 0 H -1.2 1ANK A D 84 H 1.31488 1.03346 -1 L 0.21113 1 G 0.49785 -54 S 0.53043 -79 L 0.26962 -55 I 0.97059 -2 L 8.26 51.8 7.2 18 0.11 B 0 S -1.4 1ANK A F 86 L 0.64092 0.04415 1 P 0.09557 -1 G -0.01813 2 R 0.47467 -3 L -0.19088 -55 T 0.45036 -82 I 1.54 51.8 7.2 22.4 0.18 B 0 C -0.8 1ANK A G 85 V 1.27469 0.09803 -1 D 1.2458 1 F -0.30076 -55 S -0.23268 -54 T 0.87768 -2 L 0.29735 3 R 9.53 51.8 7.2 30 0.13 B 0 C -2.4 1ANK A R 88 G 0.24091 -0.29663 -1 P -0.06634 1 T 0.08734 -2 F 0.26093 87 T -0.15029 4 Q 0.88859 -3 G 29.34 51.8 7.4 30.1 0.16 B 0 C -0.2 1AYF B C 95 S -0.65581 -0.8586 1 L -0.50284 -1 I 0.17235 -67 S 0.01184 -69 G 0.20081 -68 D -0.42202 -66 L 47.01 37 8.5 12.5 0.16 B 0 C 0.96 1AYF B D 76 E 0.48723 0.66503 1 M -0.00765 -1 N 0.33192 -3 E -0.06455 3 D 0.33141 -2 E 0.09059 2 L 60.24 37 8.5 8.5 0.13 S 5 H 0.45 1AYF B H 56 Q -1.85849 -0.54614 1 L -1.11167 -1 C -0.53919 34 L -0.64189 -3 S -0.42752 -2 T -0.45706 35 G 3.08 37 8.5 19.7 0.13 B 0 S -1.67 1AYF B H 56 R -1.54619 -0.22669 1 L -0.99752 -1 C -0.3257 34 L -0.732 -3 S -0.66853 -2 T -0.26885 35 G 3.08 37 8.5 19.7 0.13 B 0 S -1.16 1AYF B H 56 T -0.61849 -0.14245 1 L -0.57582 -1 C -0.28093 34 L -0.26941 -3 S -0.0101 -2 T -0.31724 35 G 3.08 37 8.5 19.7 0.13 B 0 S -1.19 1AYF B T 54 A 0.16027 -0.31916 -1 S -0.36412 1 C 0.34641 -11 F -0.24411 2 H -0.04568 -10 G -0.16551 -2 C 41.24 37 8.5 17.4 0.16 U 1 C -1.31 1AYF B T 54 S 0.46512 0.24366 -1 S 0.07064 1 C -0.07808 -11 F -0.07306 2 H 0.20995 -10 G 0.48691 -2 C 41.24 37 8.5 17.4 0.16 U 1 C 0.05 1AYF B Y 82 F 0.62105 0.46609 -1 A -0.02714 1 G 0.17554 2 L 0.23393 -2 L 0.0933 26 P 0.15044 -29 S 63.13 37 8.5 17.6 0.2 S 5 C -0.01 1AYF B Y 82 L 0.66654 0.70506 -1 A 0.04556 1 G 0.59803 2 L 0.61658 -2 L -0.16433 26 P -0.0657 -29 S 63.13 37 8.5 17.6 0.2 S 5 C -0.36 1AYF B Y 82 S -0.57219 -0.41098 -1 A -0.22261 1 G -0.52105 2 L -0.53491 -2 L 0.00358 26 P 0.02735 -29 S 63.13 37 8.5 17.6 0.2 S 5 C -0.33 1AYF B Y 82 W 0.62131 0.32661 -1 A 0.13103 1 G 0.10766 2 L -0.02037 -2 L 0.10062 26 P 0.32304 -29 S 63.13 37 8.5 17.6 0.2 S 5 C -0.21 1BNI A D 8 A 1.35233 0.56058 1 G 0.86568 -1 F 1.13578 3 A 0.0407 -2 T 0.78593 2 V 0.12437 4 D 61 25 4.4 12.6 0.11 S 9 H -0.69 1BNI A D 8 A 1.35233 0.56058 1 G 0.86568 -1 F 1.13578 3 A 0.0407 -2 T 0.78593 2 V 0.12437 4 D 61 25 6.3 12.6 0.11 S 9 H -0.9 1BNI A D 8 G 0.60258 0.48023 1 G 0.46855 -1 F 0.37287 3 A 0.10998 -2 T 0.3689 2 V 0.08465 4 D 61 25 6.3 12.6 0.11 S 9 H -1.17 1BNI A D 8 S 0.39383 0.32431 1 G 0.31026 -1 F 0.24325 3 A 0.10099 -2 T 0.20776 2 V 0.09222 4 D 61 25 6.3 12.6 0.11 S 9 H -0.97 1BNI A F 7 L -0.25056 -0.30315 1 D -0.10364 -1 T -0.2758 2 G 0.07039 3 V 0.09196 4 A 0.11259 69 I 14.4 25 6.15 19.7 0.12 B 0 H -4.6 1BNI A I 4 A -0.91553 -0.62538 -1 V -0.27586 1 N -0.40103 5 G -0.16476 2 T -0.39516 6 V -0.27476 17 P 34.05 25 6.3 13.6 0.16 B 0 C -1.4 1BNI A I 4 V -0.08057 -0.01419 -1 V -0.02613 1 N -0.14181 5 G 0.02046 2 T -0.05828 6 V 0.04438 17 P 34.05 25 6.3 13.6 0.16 B 0 C -0.6 1BNI A N 5 A 0.29984 0.29534 1 T 0.4923 -1 I 0.31879 71 I -0.63672 72 N 0.04557 -2 V 1.65975 5 V 8.67 25 6.3 22.8 0.13 B 0 C -1.9 1BNI A T 6 A -0.3537 -0.38847 -1 N 0.14784 1 F -0.05008 3 G -0.34316 71 N -0.05705 2 D 0.01886 70 I 53.71 25 6.3 9.8 0.13 S 4 C -2.1 1BNI A T 6 A -0.3537 -0.38847 -1 N 0.14784 1 F -0.05008 3 G -0.34316 71 N -0.05705 2 D 0.01886 70 I 53.71 25 6.3 9.8 0.13 S 4 C -2.23 1BNI A T 6 A -0.3537 -0.38847 -1 N 0.14784 1 F -0.05008 3 G -0.34316 71 N -0.05705 2 D 0.01886 70 I 53.71 25 6.3 9.8 0.13 S 4 C -2.53 1BNI A T 6 D -1.35023 -0.41608 -1 N -0.54143 1 F -0.4894 3 G -0.31216 71 N -0.07891 2 D -0.51456 70 I 53.71 25 6.3 9.8 0.13 S 4 C 0.11 1BNI A T 6 E -2.20451 -0.96483 -1 N -0.79247 1 F -0.96441 3 G -0.68839 71 N -0.27769 2 D -0.61598 70 I 53.71 25 6.3 9.8 0.13 S 4 C -0.27 1BNI A T 6 G -0.92985 -0.49066 -1 N -0.21348 1 F -0.2524 3 G -0.37108 71 N -0.05749 2 D -0.30305 70 I 53.71 25 6.3 9.8 0.13 S 4 C -1.2 1BNI A T 6 G -0.92985 -0.49066 -1 N -0.21348 1 F -0.2524 3 G -0.37108 71 N -0.05749 2 D -0.30305 70 I 53.71 25 6.3 9.8 0.13 S 4 C -1.34 1BNI A T 6 H -0.99254 -0.64378 -1 N -0.12287 1 F -0.29827 3 G -0.40616 71 N 0.0225 2 D -0.34186 70 I 53.71 25 4.4 9.8 0.13 S 4 C -2.65 1BNI A T 6 H -0.99254 -0.64378 -1 N -0.12287 1 F -0.29827 3 G -0.40616 71 N 0.0225 2 D -0.34186 70 I 53.71 25 8.9 9.8 0.13 S 4 C -1.56 1BNI A T 6 N -0.3371 0.13928 -1 N -0.26713 1 F -0.25116 3 G 0.22921 71 N 0.02013 2 D -0.14288 70 I 53.71 25 6.3 9.8 0.13 S 4 C -1.27 1BNI A T 6 P -0.91361 -0.42356 -1 N -0.27307 1 F -0.26955 3 G -0.3051 71 N -0.06808 2 D -0.32255 70 I 53.71 25 6.3 9.8 0.13 S 4 C -3.08 1BNI A T 6 Q -1.19309 -0.44305 -1 N -0.41518 1 F -0.59893 3 G -0.26435 71 N -0.10312 2 D -0.28121 70 I 53.71 25 6.3 9.8 0.13 S 4 C -1.87 1BNI A T 6 S -0.38695 -0.07712 -1 N -0.09303 1 F -0.21371 3 G -0.01103 71 N -0.00904 2 D 0.00271 70 I 53.71 25 6.3 9.8 0.13 S 4 C -0.22 1BNI A A 32 C -0.54089 -0.31976 1 L -0.25849 -1 Q -0.59964 -3 E 0.11884 2 G -0.58163 -2 A -0.07809 -4 S 83.76 25 6.3 6.9 0.13 S 9 H -1 1BNI A A 32 D -1.11117 -0.69239 1 L -0.77602 -1 Q -0.61781 -3 E -0.18744 2 G -0.80608 -2 A -0.11764 -4 S 83.76 25 6.3 6.9 0.13 S 9 H -0.7 1BNI A A 32 E -0.87721 -0.47221 1 L -0.66667 -1 Q -0.37124 -3 E -0.26234 2 G -0.46982 -2 A -0.14505 -4 S 83.76 25 6.3 6.9 0.13 S 9 H -0.6 1BNI A A 32 F -0.15742 -0.18004 1 L -0.02885 -1 Q -0.18327 -3 E 0.04518 2 G -0.34873 -2 A 0.14613 -4 S 83.76 25 6.3 6.9 0.13 S 9 H -0.7 1BNI A A 32 G -0.88161 -0.57896 1 L -0.59278 -1 Q -0.54342 -3 E -0.0313 2 G -0.77222 -2 A -0.07809 -4 S 83.76 25 6.3 6.9 0.13 S 9 H -0.9 1BNI A A 32 H -0.34344 -0.18563 1 L -0.22814 -1 Q -0.24878 -3 E 0.02983 2 G -0.31938 -2 A -0.05389 -4 S 83.76 25 6.3 6.9 0.13 S 9 H -0.8 1BNI A A 32 I -0.21375 -0.15013 1 L -0.12437 -1 Q -0.20995 -3 E 0.02016 2 G -0.22813 -2 A -0.00578 -4 S 83.76 25 6.3 6.9 0.13 S 9 H -0.8 1BNI A A 32 K -0.42251 -0.31194 1 L -0.36307 -1 Q 0.00686 -3 E -0.12739 2 G -0.26054 -2 A -0.03457 -4 S 83.76 25 6.3 6.9 0.13 S 9 H -0.2 1BNI A A 32 L 0.20884 0.08192 1 L 0.21648 -1 Q 0.07122 -3 E 0.0658 2 G 0.01643 -2 A 0.12662 -4 S 83.76 25 6.3 6.9 0.13 S 9 H -0.3 1BNI A A 32 M 0.0148 -0.01626 1 L 0.12152 -1 Q -0.17934 -3 E 0.15143 2 G -0.15058 -2 A 0.01396 -4 S 83.76 25 6.3 6.9 0.13 S 9 H -0.3 1BNI A A 32 N -0.81282 -0.58664 1 L -0.51815 -1 Q -0.39505 -3 E -0.14586 2 G -0.67871 -2 A 0.01175 -4 S 83.76 25 6.3 6.9 0.13 S 9 H -0.7 1BNI A A 32 P -0.57064 -0.44769 1 L -0.30226 -1 Q -0.39537 -3 E -0.02439 2 G -0.59379 -2 A 0.04754 -4 S 83.76 25 6.3 6.9 0.13 S 9 H -4.1 1BNI A A 32 Q 0.03286 -0.11202 1 L 0.18544 -1 Q -0.10228 -3 E 0.00897 2 G -0.18651 -2 A 0.2104 -4 S 83.76 25 6.3 6.9 0.13 S 9 H -0.5 1BNI A A 32 R 0.05701 0.01491 1 L 0.03135 -1 Q 0.17252 -3 E -0.03158 2 G 0.02322 -2 A 0.06538 -4 S 83.76 25 6.3 6.9 0.13 S 9 H -0.1 1BNI A A 32 S -0.38123 -0.42111 1 L -0.10464 -1 Q -0.2969 -3 E 0.00456 2 G -0.57874 -2 A 0.19294 -4 S 83.76 25 6.3 6.9 0.13 S 9 H -0.4 1BNI A A 32 T -0.35122 -0.31008 1 L -0.16167 -1 Q -0.27601 -3 E 0.02936 2 G -0.47403 -2 A 0.09344 -4 S 83.76 25 6.3 6.9 0.13 S 9 H -0.8 1BNI A A 32 V -0.09619 -0.06167 1 L -0.02103 -1 Q -0.18219 -3 E 0.0163 2 G -0.19043 -2 A 0.07794 -4 S 83.76 25 6.3 6.9 0.13 S 9 H -0.9 1BNI A A 32 W 0.1569 -0.10029 1 L 0.35479 -1 Q -0.13501 -3 E 0.18378 2 G -0.35969 -2 A 0.33281 -4 S 83.76 25 6.3 6.9 0.13 S 9 H -1 1BNI A A 32 Y -0.29815 -0.18904 1 L -0.1092 -1 Q -0.36653 -3 E 0.13037 2 G -0.44984 -2 A 0.02132 -4 S 83.76 25 6.3 6.9 0.13 S 9 H -0.8 1BNI A D 12 A 1.66546 0.89217 1 Y 1.34839 -1 A 0.80776 -2 V 0.54498 -3 G 0.4928 3 Q 0.64223 2 L 54.2 25 6.3 10.9 0.11 S 4 H 0.43 1BNI A D 12 A 1.66546 0.89217 1 Y 1.34839 -1 A 0.80776 -2 V 0.54498 -3 G 0.4928 3 Q 0.64223 2 L 54.2 25 6.3 10.9 0.11 S 4 H -0.3 1BNI A D 12 G 0.66564 0.5662 1 Y 0.37932 -1 A 0.43433 -2 V 0.41133 -3 G 0.02261 3 Q 0.24051 2 L 54.2 25 4.4 10.9 0.11 S 4 H -0.78 1BNI A D 12 G 0.66564 0.5662 1 Y 0.37932 -1 A 0.43433 -2 V 0.41133 -3 G 0.02261 3 Q 0.24051 2 L 54.2 25 6.3 10.9 0.11 S 4 H -1.29 1BNI A D 12 S 0.65688 0.48161 1 Y 0.32275 -1 A 0.29393 -2 V 0.39658 -3 G 0.1093 3 Q 0.26826 2 L 54.2 25 6.3 10.9 0.11 S 4 H -0.65 1BNI A D 22 M 1.14444 0.46357 1 N 0.1038 -1 P 0.68285 2 Y 0.81239 -2 L 0.98445 3 I 0.1951 -19 V 94.03 25 4.4 14.1 0.19 S 5 C -0.27 1BNI A D 44 E -0.29077 -0.02456 -1 A 0.11794 1 V 0.08656 -2 L -0.40605 -3 N 0.01457 3 P 0.22089 2 A 77.72 25 6.3 8.7 0.13 S 7 H 0.1 1BNI A D 54 A -0.04282 0.08782 1 I 0.17854 -1 G 0.10196 18 R -0.08818 -2 G 0.44423 19 E -0.21444 -28 T 19.71 25 6.3 10.1 0.16 B 0 S -3 1BNI A D 54 A -0.04282 0.08782 1 I 0.17854 -1 G 0.10196 18 R -0.08818 -2 G 0.44423 19 E -0.21444 -28 T 19.71 25 6.3 10.1 0.16 B 0 S -3.3 1BNI A D 54 N 0.006 -0.09426 1 I 0.13585 -1 G -0.13454 18 R 0.09075 -2 G 0.09913 19 E 0.05495 -28 T 19.71 25 4.4 10.1 0.16 B 0 S -2.46 1BNI A D 54 N 0.006 -0.09426 1 I 0.13585 -1 G -0.13454 18 R 0.09075 -2 G 0.09913 19 E 0.05495 -28 T 19.71 25 4.4 10.1 0.16 B 0 S -2.65 1BNI A D 54 N 0.006 -0.09426 1 I 0.13585 -1 G -0.13454 18 R 0.09075 -2 G 0.09913 19 E 0.05495 -28 T 19.71 25 4.4 10.1 0.16 B 0 S -2.66 1BNI A D 54 N 0.006 -0.09426 1 I 0.13585 -1 G -0.13454 18 R 0.09075 -2 G 0.09913 19 E 0.05495 -28 T 19.71 25 6.3 10.1 0.16 B 0 S -2.4 1BNI 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G -0.12232 0.08267 -1 N -0.15016 1 Y 0.07131 -2 G -0.10339 2 V -0.13866 -59 Q 0.02783 -109 A 79 61.6 6 15.8 0.19 S 5 S -3.3 1RTB @ P 114 G -0.12232 0.08267 -1 N -0.15016 1 Y 0.07131 -2 G -0.10339 2 V -0.13866 -59 Q 0.02783 -109 A 79 61.8 6 15.8 0.19 S 5 S -3.6 1RX4 @ L 28 R 0.68104 -0.1439 1 A 0.98869 -1 D 0.11177 -3 P -0.15422 3 F 0.12788 -2 A 0.1551 2 W 67.72 15 7.8 13.7 0.13 B 0 H 0.5 1RX4 @ V 75 A -1.04225 -0.10973 1 K -0.59019 -1 W -0.54391 -13 L -0.24125 6 A -0.65549 -14 I 0.05739 5 E 7.94 15 7.8 16 0.11 U 1 S -0.2 1RX4 @ V 75 C -2.12661 -0.19754 1 K -0.71392 -1 W -0.73696 -13 L -1.00253 6 A -0.86342 -14 I -0.33535 5 E 7.94 15 7.8 16 0.11 U 1 S -0.2 1RX4 @ V 75 H -2.46421 -0.33225 1 K -0.46378 -1 W -0.82926 -13 L -1.3993 6 A -1.35033 -14 I -0.1866 5 E 7.94 15 6.5 16 0.11 U 1 S -1.9 1RX4 @ V 75 H -2.46421 -0.33225 1 K -0.46378 -1 W -0.82926 -13 L -1.3993 6 A -1.35033 -14 I -0.1866 5 E 7.94 15 7.8 16 0.11 U 1 S -1.7 1RX4 @ V 75 I 0.29503 0.14887 1 K 0.00258 -1 W 0.05555 -13 L 0.1049 6 A 0.23003 -14 I -0.04136 5 E 7.94 15 7.8 16 0.11 U 1 S -2 1RX4 @ V 75 R -3.04408 -0.38099 1 K -1.2352 -1 W -1.34045 -13 L -1.15865 6 A -1.64821 -14 I 0.15818 5 E 7.94 15 7.8 16 0.11 U 1 S -2.8 1RX4 @ V 75 S -2.98784 0.14287 1 K -1.16675 -1 W -1.10558 -13 L -1.71041 6 A -1.69523 -14 I -0.24241 5 E 7.94 15 7.8 16 0.11 U 1 S -1.9 1RX4 @ V 75 Y -0.92087 0.36459 1 K -0.26209 -1 W -0.29087 -13 L -0.85284 6 A -0.81887 -14 I -0.12886 5 E 7.94 15 7.8 16 0.11 U 1 S -2.3 1RX4 @ V 88 A -1.12811 -0.18268 1 P -0.24803 -1 D -0.29347 2 E 0.1483 -2 G -0.25815 -3 C -0.73121 3 I 33.77 20 7.2 23.1 0.19 S 3 C 0.2 1RX4 @ V 88 I 0.72744 -0.02585 1 P 0.07108 -1 D 0.20665 2 E -0.025 -2 G 0.18188 -3 C 0.55765 3 I 33.77 20 7.2 23.1 0.19 S 3 C -1.73 1RX4 @ E 139 K 0.13344 0.05842 1 F -0.2314 -1 S 0.04393 14 F 0.01313 13 C 0.36484 2 H 0.06845 -2 F 42.36 15 7.8 7 0.21 S 7 C -2.36 1RX4 @ E 139 Q 0.95562 0.37628 1 F 0.36939 -1 S 0.46328 14 F 0.47643 13 C 0.58623 2 H 0.34113 -2 F 42.36 15 7.8 7 0.21 S 7 C -1.36 1SAR A D 25 K -0.19804 -0.11222 -1 S -0.17744 1 G -0.03115 -3 I -0.01986 -2 A -0.07217 -4 L -0.10189 2 P 87.86 47.2 7 9.8 0.16 S 6 H -0.9 1SAR A E 74 K 1.50526 0.79251 -1 G 0.36079 1 A 0.49468 -23 Y 0.58295 -2 C 0.27871 2 T 0.32306 -22 Y 80.48 47.2 7 12 0.18 S 3 S -1.1 1SAR A N 39 A 1.1271 0.07092 1 R -0.43614 -1 Q 0.21733 3 S 0.1155 2 E 0.58098 -2 F 0.99546 5 L 11.68 48.4 7 27.2 0.15 B 0 T -2.2 1SAR A N 39 D -0.44506 0.4899 1 R -0.37274 -1 Q -0.01796 3 S -0.07429 2 E 0.15863 -2 F -0.31304 5 L 11.68 48.4 7 27.2 0.15 B 0 T -1.5 1SAR A N 39 S 0.54135 0.20315 1 R -0.11929 -1 Q 0.15269 3 S 0.025 2 E 0.42857 -2 F 0.27225 5 L 11.68 48.4 7 27.2 0.15 B 0 T -2.3 1SHG @ F 52 Y -0.19554 -0.37493 1 V -0.03333 -1 G 0.04706 -9 K -0.02786 -30 E 0.06358 -10 W -0.35396 -29 V 25.36 24.85 7 10.9 0.13 B 0 C -0.44 1SHG @ K 18 F -0.26479 -0.28808 -1 E -0.03999 1 S -0.11069 -2 Q -0.20413 4 E 0.03061 2 P -0.11456 -3 Y 75.94 24.85 7 10.8 0.26 S 7 C 2.33 1SHG @ K 59 F 3.38658 2.2645 -1 V 0.75212 1 K 1.74182 -49 L 0.92268 -50 V 0.59993 2 L 1.5818 -47 L 52.65 24.85 7 8.7 0.18 S 3 C 0.92 1SHG @ K 59 F 3.38658 2.2645 -1 V 0.75212 1 K 1.74182 -49 L 0.92268 -50 V 0.59993 2 L 1.5818 -47 L 52.65 24.85 7 8.7 0.18 S 3 C 2.51 1SHG @ K 59 Y 2.34101 1.49345 -1 V 0.54833 1 K 1.23694 -49 L 0.61952 -50 V 0.48976 2 L 1.02393 -47 L 52.65 24.85 7 8.7 0.18 S 3 C 0.84 1SHG @ Y 13 F 0.54106 -0.02178 1 D 0.21259 -1 L -0.02747 14 K 0.25915 -2 A 0.56381 44 Y 0.35499 2 Y 55.59 24.85 7 12.2 0.16 S 5 C 2.53 1SHG @ Y 13 F 0.54106 -0.02178 1 D 0.21259 -1 L -0.02747 14 K 0.25915 -2 A 0.56381 44 Y 0.35499 2 Y 55.59 25 7 12.2 0.16 S 5 C 0.03 1SHG @ Y 57 F 1.32983 0.51516 -1 A 0.61493 1 V 0.39235 -45 L 0.15943 -2 A 0.15946 -3 P 0.56381 -44 Y 35.24 24.85 7 13.8 0.15 U 2 C 2.57 1SHG @ Y 57 F 1.32983 0.51516 -1 A 0.61493 1 V 0.39235 -45 L 0.15943 -2 A 0.15946 -3 P 0.56381 -44 Y 35.24 25 7 13.8 0.15 U 2 C 0.07 1STN @ A 60 G -0.31758 -0.12258 -1 S -0.30381 1 F 0.10873 3 K -0.34086 -3 E -0.31256 -2 A 0.18584 2 T 55.08 20 7 8.6 0.16 S 3 H -1.5 1STN @ A 60 V 0.2182 0.18309 -1 S 0.06282 1 F 0.10594 3 K -0.05247 -3 E -0.02768 -2 A 0.20476 2 T 55.08 20 7 8.6 0.16 S 3 H -2.9 1STN @ A 90 S -2.22444 -0.48384 1 Y -0.89398 -1 L -0.3095 -14 F -0.50028 -53 L -0.11587 -15 E -1.14948 -54 L 0 20 7 15.1 0.13 B 0 C -2 1STN @ A 90 S -2.22444 -0.48384 1 Y -0.89398 -1 L -0.3095 -14 F -0.50028 -53 L -0.11587 -15 E -1.14948 -54 L 0 47 5 15.1 0.13 B 0 C -2.6 1STN @ A 90 S -2.22444 -0.48384 1 Y -0.89398 -1 L -0.3095 -14 F -0.50028 -53 L -0.11587 -15 E -1.14948 -54 L 0 51.4 7 15.1 0.13 B 0 C -2.5 1STN @ D 77 A 0.79106 0.71039 -1 F -0.77227 1 K -0.65063 41 N -0.62369 2 G 1.2405 13 A 0.33903 -70 L 2.5 20 7 21.1 0.13 B 0 C -3.2 1STN @ D 77 G -0.43893 0.01153 -1 F -0.77583 1 K -0.36807 41 N -0.42589 2 G 0.46073 13 A -0.26653 -70 L 2.5 20 7 21.1 0.13 B 0 C -2.2 1STN @ D 83 A -0.10539 -0.4007 1 K -0.1961 -1 T -0.57314 3 G -0.42561 2 Y -0.36711 4 R 0.10468 5 G 24.71 20 7 21.2 0.12 U 1 T -3.9 1STN @ D 83 G -0.52971 -0.172 1 K 0.00623 -1 T -0.23413 3 G -0.28925 2 Y -0.34426 4 R 0.114 5 G 24.71 20 7 21.2 0.12 U 1 T -2.8 1STN @ D 95 A 0.94831 -0.04935 1 G 1.13285 -1 A -0.073 -24 K 0.10754 2 K 0.39881 -26 A -0.33221 -25 K 39.42 20 7 10.2 0.15 S 3 S -3.6 1STN @ D 95 G -0.23386 -0.14261 1 G 0.1055 -1 A -0.49177 -24 K -0.06833 2 K -0.07532 -26 A -0.41236 -25 K 39.42 20 7 10.2 0.15 S 3 S -3.1 1STN @ E 73 A 0.9976 1.35598 1 V 1.10462 -1 I -0.05234 -62 P 0.53343 20 Y -0.01556 -63 E 0.7158 -61 A 26.22 20 7 12.1 0.13 B 0 S -1.6 1STN @ F 61 A 0.38089 -0.24104 1 T 0.40536 -1 A 0.32104 -3 A 0.03276 3 K -0.04287 -2 S 0.07822 2 K 27.9 20 7 15.4 0.13 B 0 H -2.4 1STN @ F 61 G -1.8153 -0.49863 1 T -0.19945 -1 A -0.79609 -3 A -0.08367 3 K -0.03926 -2 S 0.07794 2 K 27.9 20 7 15.4 0.13 B 0 H -4.7 1STN @ F 76 A -0.43096 -0.35979 1 D -0.01434 -1 E -0.01827 14 A -0.13359 5 R -0.20316 15 Y -0.04368 13 L 8.47 20 7 13 0.15 U 1 C -4.1 1STN @ F 76 G -1.95645 -0.72415 1 D -0.93477 -1 E -0.79594 14 A -0.2355 5 R -0.31699 15 Y -0.45638 13 L 8.47 20 7 13 0.15 U 1 C -4.7 1STN @ G 79 S 0.09738 0.19834 1 Q -0.12172 -1 K -7.30E-04 39 N -0.13738 38 P -0.04021 -2 D -0.01476 2 R 23.63 20 7 9.5 0.18 S 4 C -2.4 1STN @ G 79 S 0.09738 0.19834 1 Q -0.12172 -1 K -7.30E-04 39 N -0.13738 38 P -0.04021 -2 D -0.01476 2 R 23.63 40 5.28 9.5 0.18 S 4 C -1.8 1STN @ G 79 S 0.09738 0.19834 1 Q -0.12172 -1 K -7.30E-04 39 N -0.13738 38 P -0.04021 -2 D -0.01476 2 R 23.63 47 5 9.5 0.18 S 4 C -1.2 1STN @ G 79 S 0.09738 0.19834 1 Q -0.12172 -1 K -7.30E-04 39 N -0.13738 38 P -0.04021 -2 D -0.01476 2 R 23.63 51.4 7 9.5 0.18 S 4 C -1.3 1STN @ G 88 V 2.73244 0.04026 -1 R 1.31913 1 L -0.05391 -6 T 1.68123 -54 F 0.26376 -7 R 0.15089 -53 R 0.13 47 5 14.9 0.13 B 0 C 0.6 1STN @ G 88 V 2.73244 0.04026 -1 R 1.31913 1 L -0.05391 -6 T 1.68123 -54 F 0.26376 -7 R 0.15089 -53 R 0.13 51.4 7 14.9 0.13 B 0 C 0.5 1STN @ H 46 Y 0.37536 0.28728 -1 K 0.1475 1 P 0.25694 4 G 0.06633 -3 E 0.21877 3 K 0.10759 -2 T 21.06 40 5.38 13.8 0.13 B 0 T 0 1STN @ I 18 G -0.46229 0.38293 1 D -0.46061 -1 A -0.79316 5 V -0.30985 4 T -0.06899 -2 K -0.46381 6 K 26.54 20 7 13.2 0.21 B 0 S -2.6 1STN @ I 18 M -0.40526 -0.02341 1 D -0.25266 -1 A -0.27046 5 V -0.21601 4 T -0.11313 -2 K -0.21947 6 K 26.54 40 5.42 13.2 0.21 B 0 S -0.2 1STN @ L 25 A -3.27372 -0.68039 1 M -0.72123 -1 K -1.29103 -11 L -0.55155 -10 I -0.58105 7 M -0.138 -12 T 0 47 5 21 0.12 B 0 S -2.8 1STN @ L 25 A -3.27372 -0.68039 1 M -0.72123 -1 K -1.29103 -11 L -0.55155 -10 I -0.58105 7 M -0.138 -12 T 0 51.4 7 21 0.12 B 0 S -2.6 1STN @ L 36 A -1.78729 -0.76327 1 L -0.5364 -1 R 0.0748 -15 D -0.61746 54 A -0.31421 55 Y -0.41685 53 L 0 20 7 19.8 0.11 B 0 C -3.6 1STN @ L 36 G -4.68805 -1.82439 1 L -1.29691 -1 R 0.02191 -15 D -1.84145 54 A -0.74547 55 Y -1.18232 53 L 0 20 7 19.8 0.11 B 0 C -5.4 1STN @ L 37 A -1.65259 -0.50143 1 L -0.76327 -1 L -0.40884 53 A -0.69068 52 L -0.42486 54 Y -0.41103 2 V 7.1 20 7 21 0.16 B 0 C -1.8 1STN @ L 37 G -3.04204 -1.05847 1 L -1.82439 -1 L -0.99212 53 A -1.61008 52 L -0.7403 54 Y -1.05549 2 V 7.1 20 7 21 0.16 B 0 C -3.9 1STN @ L 89 F 0.56914 -0.14007 1 A 0.49535 -1 G 0.29836 -8 R 0.18975 -7 T -0.41298 -54 R -0.36214 -52 L 14.15 40 5.38 19.1 0.13 B 0 C -1.2 1STN @ T 33 S -0.81602 -0.29351 -1 M -0.14919 1 F -0.39214 -9 K -0.17862 54 R -0.42228 -10 V -0.0734 -8 L 24.59 20 7 9.3 0.16 B 0 S -1.4 1STN @ T 62 A 2.21824 0.60839 -1 F 0.5744 1 K 0.62303 3 M -0.16194 -3 S -0.22959 -42 G 0.17006 2 K 0 20 7 20.4 0.12 B 0 H -2.4 1STN @ T 62 G -1.57285 -0.23903 -1 F 0.21884 1 K 0.04942 3 M -0.13809 -3 S -0.00621 -42 G 0.19965 2 K 0 20 7 20.4 0.12 B 0 H -3.4 1STN @ V 23 F -1.31174 -0.16016 1 K -0.19334 -1 T -0.56113 -6 A -0.34983 -5 I 0.19713 11 F -0.14456 10 T 0.13 40 5.35 25.4 0.12 B 0 S -1.5 1STN @ V 66 L 0.13648 0.46243 1 E 0.18759 -1 M 0.0851 3 A 0.18562 -3 K 0.06567 2 N 0.26939 -2 K 1.5 47 5 24.5 0.1 B 0 H 0.6 1STN @ V 66 L 0.13648 0.46243 1 E 0.18759 -1 M 0.0851 3 A 0.18562 -3 K 0.06567 2 N 0.26939 -2 K 1.5 51.4 7 24.5 0.1 B 0 H 0.8 1STN @ Y 91 S -2.92717 -1.02267 -1 A -1.08728 1 I -0.62293 -16 E -0.69916 -54 L -0.60327 -55 L -0.40628 -17 V 0 20 7 20.4 0.12 B 0 S -5.3 1STN @ H 124 L 0.2728 0.13943 -1 Q 0.65492 1 L -0.33068 -3 H 0.40049 3 K 0.0769 -2 E 0.27115 2 R 50.69 40 5.2 11.7 0.11 U 2 H 0.7 1STN @ H 124 L 0.2728 0.13943 -1 Q 0.65492 1 L -0.33068 -3 H 0.40049 3 K 0.0769 -2 E 0.27115 2 R 50.69 47 5 11.7 0.11 U 2 H 1.9 1STN @ H 124 L 0.2728 0.13943 -1 Q 0.65492 1 L -0.33068 -3 H 0.40049 3 K 0.0769 -2 E 0.27115 2 R 50.69 51.4 7 11.7 0.11 U 2 H 1.3 1STN @ L 103 A -0.72788 -0.40715 1 V -0.04384 -1 A -0.58083 5 L -0.36355 3 Q 0.0109 -2 E -0.0797 2 R 0 20 7 20.8 0.11 B 0 H -4.6 1STN @ N 118 D -1.59292 -0.72464 1 N -0.05508 -1 P 0.04486 -2 K -0.30084 -39 G -0.74258 -41 D -0.01578 -40 K 4.99 20 7 19.8 0.13 U 1 T -2.5 1SUP @ M 50 F 0.82712 0.5263 -1 S 0.41311 1 V 0.11849 45 V 0.36985 56 W -0.0072 44 K -0.13477 60 G 17.04 58.8 8 13 0.12 B 0 C 0.48 1SUP @ N 76 D -0.65956 -0.40886 -1 L -0.50114 1 N 0.07147 6 L 0.0149 10 P -0.49482 5 V -0.2213 11 S 61.48 58.8 8 18.9 0.16 B 0 C 0.45 1SUP @ G 169 A 2.90338 -0.11877 -1 P 0.58933 1 K 2.09027 7 A -0.23711 -2 Y 1.19281 -16 A 0.85124 -18 A 0.89 58.8 8 14.2 0.09 B 0 C 0.3 1SUP @ N 218 S 0.44991 0.212 1 G -0.04351 -1 Y 0.30857 -15 V -0.10105 -14 S 0.11492 -16 G -0.0215 -13 I 60.18 58.8 8 13.7 0.15 B 0 C 1.07 1SUP @ Q 206 C 0.8933 0.29163 -1 I 0.51635 1 S 0.26397 10 A 0.20972 9 G 0.24664 -201 P 0.08851 -2 S 36.17 58.8 8 15.4 0.13 B 0 S 1.25 1SUP @ Y 217 K -4.09398 -0.89438 -1 A -0.31205 1 N -0.31129 -13 S -1.39428 -12 I -0.46858 2 G -0.44285 -2 G 32.52 58.8 8 22.7 0.13 B 0 S 0.72 1TUP A C 242 S -6.23029 -0.14085 1 M 0.20217 -1 S -0.03439 5 N -1.65495 -3 N -2.69204 3 G 0.2418 -2 S 13.6 10 7.2 13.9 0.13 U 1 C -2.94 1TUP A R 175 H 2.42915 0.4298 -1 R 1.34633 1 C -0.06279 17 Q 0.35662 19 L 0.72795 70 G 2.02654 63 C 2.53 10 7.2 14.5 0.13 B 0 C -3.01 1TUP A R 248 Q 0.55327 -0.15331 1 R 0.24956 -1 N 0.41308 -7 S 0.58929 -8 S -0.01029 -2 M -0.07937 2 P 84.76 10 7.2 12 0.12 U 2 C -1.94 1TUP A R 249 S 0.16431 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