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_H2O 1A23 @ C 30 S -6.76396 -1.54162 1 P -2.06576 -1 F -5.57142 3 C -1.5067 2 H -1.43444 -2 F -1.88715 -3 S 12.75 25 7.5 18.7 0.16 B 0 C -1.8 1A23 @ C 33 S -6.74174 -1.95632 1 Y -1.89962 -1 H -5.57142 -3 C -0.5811 3 F -1.76624 -2 P -0.09196 2 Q 0.71 25 7.5 14.2 0.13 B 0 H -1.1 1A43 @ C 218 S -5.6533 0.13973 1 Q -0.41483 -1 A -1.17838 -3 M -0.07035 -2 T -4.67303 -20 C -1.75669 -57 F 11.54 25 7.3 17.7 0.15 U 4 T -2.3 1A43 @ C 218 S -5.6533 0.13973 1 Q -0.41483 -1 A -1.17838 -3 M -0.07035 -2 T -4.67303 -20 C -1.75669 -57 F 11.54 25 7.3 17.7 0.15 U 4 T -2.8 1A43 @ E 159 D 0.95042 0.15646 -1 K 0.17422 1 P 0.50312 -3 G 0.21476 -2 P 0.45383 -4 Q 0.26521 2 F 21.87 25 7.3 12.3 0.16 S 3 C -2.1 1A43 @ E 159 D 0.95042 0.15646 -1 K 0.17422 1 P 0.50312 -3 G 0.21476 -2 P 0.45383 -4 Q 0.26521 2 F 21.87 25 7.3 12.3 0.16 S 3 C -4.9 1A43 @ G 156 A -0.04938 0.05993 -1 Q -0.12685 1 P -0.08886 3 E -0.01104 2 K 0.09233 -2 R -0.14912 39 N 24.4 25 7.3 12.5 0.21 S 4 C -1 1A43 @ G 156 A -0.04938 0.05993 -1 Q -0.12685 1 P -0.08886 3 E -0.01104 2 K 0.09233 -2 R -0.14912 39 N 24.4 25 7.3 12.5 0.21 S 4 C -2.8 1A43 @ R 167 A -0.70248 0.29629 1 F -0.77135 -1 D 0.33496 3 K -0.67746 -3 Y -0.1073 -2 V -0.07782 2 Y 38.03 25 7.3 11.4 0.16 U 5 H -3 1A43 @ R 167 A -0.70248 0.29629 1 F -0.77135 -1 D 0.33496 3 K -0.67746 -3 Y -0.1073 -2 V -0.07782 2 Y 38.03 25 7.3 11.4 0.16 U 5 H -3.1 1A43 @ W 184 A -0.1284 -0.37618 -1 N 0.32083 1 M -0.12449 3 E -0.06892 -3 V -0.03868 2 T 0.0649 -2 K 69.48 25 7.3 9.6 0.13 S 5 H -0.7 1A5E @ L 121 R 0.73879 0.60088 1 G 0.51761 -1 E 0.15619 -3 A 0.61781 -2 E -0.06684 2 H -0.09971 -4 L 48.23 20 8.5 11.4 0.12 S 4 T 0.66 1A5E @ L 37 S -0.30521 -0.18397 1 P -0.65344 -1 A 0.01718 3 A -0.54194 -24 A 0.34758 2 N 0.37168 -2 G 48.77 20 8.5 13.7 0.16 U 1 C 0.71 1A5E @ W 15 D -3.48253 -1.99322 1 L -0.75668 -1 D -0.46298 3 T -0.74427 -2 A -0.39838 2 A -1.04466 -3 S 49.65 20 8.5 14.1 0.12 B 0 H 0.17 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 0.6 1AKK @ L 94 A -2.25598 -1.06439 1 I 0.1112 -1 D -0.12785 -88 G 0.05294 2 A -0.56532 3 Y -0.33438 -4 E 2.46 10 7 18.2 0.12 B 0 H -3.5 1AKK @ L 94 I 0.70149 0.355 1 I 0.30044 -1 D 0.12165 -88 G 0.20186 2 A 0.15648 3 Y 0.11854 -4 E 2.46 10 7 18.2 0.12 B 0 H 0.2 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 10 7 18.2 0.12 B 0 H -0.8 1APS @ A 30 G -3.11041 -0.447 1 R -0.86425 -1 E -0.64789 3 I -1.02019 5 V -0.2233 2 K -0.58674 -3 E 0 28 5.5 17.5 0.1 B 0 H -1.65 1APS @ E 29 D -0.24978 0.02096 -1 D -0.32674 1 A -0.10401 3 K -0.07526 2 R -0.3964 -3 A -0.18401 -2 E 8.36 28 5.5 14.7 0.13 U 3 H -3.47 1APS @ E 83 D 0.51341 0.18015 -1 N 0.18365 1 K 0.35026 -74 V 0.18599 -2 S 0.1206 -75 S 0.11412 2 T 35.15 28 5.5 15.8 0.19 U 2 S -1.51 1APS @ F 22 L -0.14858 -0.75437 -1 C -0.37635 1 R 0.11516 -2 V -0.09816 3 Y 0.25949 4 A 0.24963 53 I 1.69 28 5.5 27.4 0.15 B 0 H -1.29 1APS @ F 94 L -0.09609 -0.41528 1 S -0.26348 -1 N -0.08254 -58 V -0.38715 -57 G 0.17853 -67 E -0.2849 -56 W 0.15 28 5.5 16.5 0.11 B 0 S -4.33 1APS @ G 45 A -0.20184 0.01462 -27 Q -0.22746 -1 K -0.30713 1 T 0.15919 -30 G 0.32174 2 V -0.45949 -3 T 50.7 28 5.5 13 0.11 U 1 T -1.72 1APS @ I 75 V 0.00639 -0.2291 1 D 0.0113 -55 V -0.11962 -7 V -0.00962 2 R 0.17657 -2 S 0.01627 -53 F 14.22 28 5.5 19.5 0.11 B 0 S -1.41 1APS @ I 86 V -0.21679 0.02073 -1 T 0.03792 1 S -0.00805 -85 S -0.00271 -84 T -0.08077 -80 L -0.00618 -79 K 20.16 28 5.5 14.9 0.13 B 0 C -1.77 1APS @ L 89 A -1.17517 -0.35263 1 E -0.2525 2 Y -0.3531 -37 Q -0.36139 -53 V -0.08757 -36 G -0.60039 -83 L 37.63 28 5.5 17.4 0.18 U 1 C -1.67 1APS @ L 65 V 0.70814 0.19587 1 S -0.01992 -1 W 0.09221 2 K 0.14983 3 V 0.06998 -3 K 0.34361 13 T 0 28 5.5 25.4 0.13 B 0 H -5.36 1APS @ M 61 A -0.12825 -0.24433 -1 S -0.20148 1 K 0.0953 -3 V -0.04026 3 W -0.01783 -2 N -0.09269 2 S 0 28 5.5 21.5 0.11 B 0 H -3.97 1APS @ P 54 A 0.9632 0.46085 -1 G 0.25603 1 E 0.58073 -48 L 0.30638 3 K 0.04873 2 E -0.11144 -49 P 25.86 28 5.5 12 0.13 U 2 S -0.45 1APS @ P 71 A -0.4791 -0.3882 -1 S -0.19354 1 S -0.53777 -50 C 0.0095 -46 Y -0.11256 -2 G -0.28289 -49 F 71.88 28 5.5 13.7 0.2 S 6 T -1.6 1APS @ T 42 A -1.15482 -0.66004 -1 N -0.27877 1 S -0.52246 3 G -0.23708 2 K -0.25768 4 T -0.3435 -2 K 18.39 28 5.5 10.5 0.15 U 3 T -1.84 1APS @ T 78 S -0.26658 -0.12375 -1 R 0.09261 1 N -0.36612 -65 V -0.11867 -66 E 0.07289 -12 S -0.13614 -13 L 14.35 28 5.5 15.1 0.13 B 0 S -1.41 1APS @ V 13 A -2.79014 -0.57544 -1 E -0.10655 1 F -0.66071 65 T -1.20812 34 V -0.20423 64 R -0.22114 33 T 0 28 5.5 17.7 0.1 B 0 S -2.63 1APS @ V 17 A 0.15114 0.02796 1 Q 0.06677 27 K 0.04958 -2 G 0.07043 28 G 0.05957 2 G 0.04168 26 S 0.65 28 5.5 7.9 0.15 S 7 T -1.84 1APS @ V 20 A -1.00753 -0.18951 1 C 0.22955 -1 G -0.03312 -2 Q -0.75288 2 F -0.87687 55 I 0.05746 53 S 11.97 28 5.5 18.6 0.13 B 0 T -0.29 1APS @ V 36 A -1.22711 -0.90187 -1 V -0.24701 1 G -0.52835 58 F -0.27677 57 N -0.19756 16 Q -0.13778 17 G 9.5 28 5.5 12.3 0.13 B 0 S -2.54 1APS @ V 39 A -1.11838 -0.52422 -1 W -0.28941 1 K -0.03031 10 G -0.15194 58 R -0.26891 57 V -0.33439 9 T 0 28 5.5 16.8 0.13 B 0 S -1.63 1APS @ V 47 A -1.99937 -0.84412 1 T -0.17799 -1 T -1.20812 -34 V -0.20613 -6 N 0.13166 -2 G -0.18453 -35 E 0 28 5.5 20.2 0.11 B 0 S -1.87 1APS @ V 51 A -2.39084 -0.42158 1 Q -0.10268 -1 Q 0.09107 -14 G -0.71366 -42 V -0.26455 -43 S -0.48908 -15 V 0 28 5.5 21.7 0.12 B 0 S -1.89 1APS @ W 64 A -0.15994 -0.64431 -1 S 0.36756 1 L -0.19136 3 K -0.00852 -3 M -0.26674 -2 K -0.34662 2 S 8.11 28 5.5 14.8 0.16 U 1 H -1.51 1APS @ W 38 F 0.43449 0.3214 1 V 0.02419 -1 G 0.1459 57 S 0.30625 56 F -0.22631 12 Q -0.13268 11 G 20.96 28 5.5 13.3 0.15 U 1 S -0.02 1APS @ Y 25 A -0.73549 0.29141 1 A -0.16981 -1 M -0.09641 -2 R -0.06799 2 E -0.20786 3 D -0.37637 -3 F 44.03 28 5.5 20 0.13 U 2 H -0.24 1APS @ Y 11 F 1.03641 -0.08568 -1 D 0.0939 1 E 0.12999 69 F 0.21971 37 T 0.20288 68 N 0.00788 38 G 2.2 28 5.5 17.9 0.13 B 0 S 0.43 1APS @ Y 11 I 1.28257 -0.3329 -1 D 0.11534 1 E -0.27778 69 F 0.41858 37 T -0.14332 68 N 0.00541 38 G 2.2 28 5.5 17.9 0.13 B 0 S -2.22 1ARR A D 20 A 2.04157 1.58209 -1 L 1.48137 1 L 0.78895 -3 E 0.20488 3 R 1.09751 -2 V 0.69699 2 V 36.22 25 7.5 7.1 0.13 S 5 H -0.8 1ARR A D 20 G -0.17367 0.17661 -1 L 0.10745 1 L 5.48E-04 -3 E -0.57024 3 R 0.35196 -2 V -0.00953 2 V 40.32 25 7.5 7.1 0.13 S 5 H -2.79 1ARR A E 17 A 0.27237 0.31149 1 V -0.05589 -1 R 0.33605 3 D 0.21783 2 L -0.08615 -2 P 0.14068 4 L 69.49 25 7.5 7.4 0.11 S 7 H -0.5 1ARR A E 27 A 0.43738 0.46051 -1 A 0.40864 1 E 0.21144 3 G -0.16421 -3 K 0.28046 -2 V 0.31098 2 N 72.01 25 7.5 8.8 0.1 S 5 H 0.4 1ARR A E 28 A 0.57835 0.40864 -1 E 0.36459 1 N 0.39936 -3 V 0.52379 -2 A 0.08718 2 G -0.03263 -4 K 47.57 25 7.5 7.1 0.1 S 9 H -0.5 1ARR A E 43 A -0.39291 0.12852 -1 M -0.235 1 S -0.07225 -3 R -0.10745 2 F 0.03383 -2 V -0.53635 3 K 28.51 25 7.5 7.3 0.13 U 2 H -0.3 1ARR A E 48 A -0.63377 -0.32256 1 G -0.64406 -1 K -0.18134 3 I -0.3112 -3 F -0.45241 -2 K 0.0103 2 R 48.14 25 7.5 6.4 0.09 S 3 C 0.13 1ARR A E 48 A -0.63377 -0.32256 1 G -0.64406 -1 K -0.18134 3 I -0.3112 -3 F -0.45241 -2 K 0.0103 2 R 47.34 25 7.5 6.4 0.09 S 3 C -2.4 1ARR A E 17 G -0.29033 -0.10944 1 V -0.34192 -1 R -0.03655 3 D -0.18384 2 L -0.08592 -2 P -0.02056 4 L 52.15 25 7.5 7.4 0.11 S 7 H -1.19 1ARR A E 27 G -0.22261 -0.27242 -1 A 0.05355 1 E 0.28006 3 G -0.46315 -3 K -0.24691 -2 V 0.34143 2 N 69.09 25 7.5 8.8 0.1 S 5 H -0.75 1ARR A E 28 G -0.14909 0.05355 -1 E 0.19594 1 N -0.30333 -3 V 0.06519 -2 A 0.10891 2 G -0.3232 -4 K 54.55 25 7.5 7.1 0.1 S 9 H -1.69 1ARR A E 48 G -0.65528 -0.26769 1 G -0.66393 -1 K -0.30781 3 I -0.3876 -3 F -0.34749 -2 K 0.00862 2 R 61.59 25 7.5 6.4 0.09 S 3 H -2.59 1ARR A G 30 A 0.35695 0.2686 1 R 0.17168 -1 N 0.27362 -3 E 0.04185 -2 E 0.30478 -4 A 0.01031 2 S 87.29 25 7.5 7.6 0.09 S 6 C -2.5 1ARR A G 49 A 0.28949 0.15944 -1 E 0.19512 1 R 0.18713 2 I 0.09437 -2 K 0.13004 3 G 0.11105 4 A 64.42 25 7.5 7.3 0.12 S 8 C -2 1ARR A G 52 A 0.35577 0.23418 -1 I 0.26935 1 A 0.06742 -8 S 0.04798 -5 K 0.22076 -2 R 0.13004 -3 G 39.77 25 7.5 8.5 0.16 S 3 C 0.2 1ARR A I 51 A -0.46733 -0.02949 1 G 0.07317 -1 R -0.09917 -3 E -0.40997 -6 F -0.44369 -7 S 0.00252 -2 G 0 25 7.5 10.2 0.1 B 0 C -1.9 1ARR A K 24 A 1.23464 1.11458 -1 R 0.86952 1 V 0.5912 -3 L 0.0812 3 E 0.95037 -2 V 0.54414 2 A 48.52 25 7.5 7 0.13 S 4 H -0.6 1ARR A K 46 A -0.48301 -0.29964 1 K -0.25928 -1 F -0.18631 2 E -0.23214 -2 S -0.25988 -3 E -0.06455 -4 M 86.49 25 7.5 6.5 0.13 S 7 H 0 1ARR A K 47 A -0.15427 -0.45453 1 E 0.29185 5 G 0.06447 4 I -0.06717 -2 F 0.01669 2 G -0.01885 -3 S 54.4 25 7.5 8.6 0.1 S 6 C -1.8 1ARR A K 24 G -0.70325 0.2807 -1 R -0.43738 1 V -0.35682 -3 L -0.56771 3 E 0.29053 -2 V -0.08434 2 A 67.14 25 7.5 7 0.13 S 4 H -2.45 1ARR A K 46 G -0.72212 -0.30386 1 K -0.40668 -1 F -0.28798 2 E -0.15175 -2 S -0.495 -3 E -0.28237 -4 M 84.98 25 7.5 6.5 0.13 S 7 H -1.6 1ARR A K 47 G -0.25526 -0.80048 1 E 0.52631 5 G -0.14182 4 I -0.36203 -2 F 0.15336 2 G 0.04904 -3 S 68.35 25 7.5 8.6 0.1 S 6 H -1.16 1ARR A K 24 T -0.00154 0.4819 -1 R 0.10699 1 V 0.05105 -3 L -0.43149 3 E 0.6252 -2 V 0.00703 2 A 48.52 25 7.5 7 0.13 S 4 H -1.2 1ARR A L 12 A -0.01069 0.05203 -1 N -0.06273 1 R -0.06273 2 W 0.05203 -2 F -0.06273 7 L 0.05203 22 N 0.16 25 7.5 14.9 0.38 U 1 S -2.7 1ARR A L 19 A -1.23441 -0.18195 1 D -0.55104 -1 V -0.32361 -3 R -0.74818 3 V -0.04974 -2 E -0.33076 2 L 0.33 25 7.5 12.7 0.13 U 2 H -1.9 1ARR A L 21 A -0.54086 -0.21425 -1 D -0.37717 1 V -0.23683 -3 V -0.19327 3 K -0.1127 2 R -0.33076 -2 L 41.23 25 7.5 7.4 0.11 S 3 H -3.4 1ARR A L 19 Q -3.24998 -0.75018 1 D -1.73678 -1 V -0.52206 -3 R -2.30125 3 V -0.34791 -2 E -0.84329 2 L 0.33 25 7.5 12.7 0.13 U 2 H -1.8 1ARR A M 1 A -0.33361 -0.03036 1 K -0.07172 3 M -0.27271 4 S -0.12603 2 G -0.08202 5 K -0.20851 6 M 39.68 25 7.5 6.8 0.16 S 4 C -0.1 1ARR A M 42 A -0.34986 -0.08301 1 E -0.36258 -1 V -0.2283 3 F -0.02583 -3 Q -0.27588 2 S 0.01817 -2 R 33.13 25 7.5 7.9 0.1 B 0 H -3.6 1ARR A N 29 A 1.35901 0.55823 -1 E 0.27478 1 G 1.34711 -3 A 0.40481 -2 E 0.40085 2 R 0.55333 -4 V 56.15 25 7.5 11 0.08 S 4 H 0.66 1ARR A N 29 A 1.35901 0.55823 -1 E 0.27478 1 G 1.34711 -3 A 0.40481 -2 E 0.40085 2 R 0.55333 -4 V 13.8 25 7.5 11 0.08 S 4 H -1.6 1ARR A N 34 A 0.13407 0.20894 -1 V -0.0177 1 S 0.20916 2 E 0.0123 -2 S 0.13407 3 I -0.05881 4 Y 19.26 25 7.5 11.2 0.18 B 0 C 0 1ARR A N 34 G -0.33016 -0.03823 -1 V -0.14524 1 S -0.05778 2 E -0.03195 -2 S -0.05445 3 I -0.02923 4 Y 26.3 25 7.5 11.2 0.18 B 0 H 0.64 1ARR A P 15 A 0.42468 0.28185 1 R 0.1978 -1 W 0.0711 2 E 0.36971 3 V 0.3675 4 L -0.01394 -2 R 35.1 25 7.5 8.8 0.15 S 4 C -1.9 1ARR A Q 39 A 0.54343 0.20571 -1 Y 0.2932 1 R 0.30156 3 M 0.1556 2 V 0.20576 -3 E 0.13021 -2 I 24.92 25 7.5 9.3 0.11 B 0 H 0.1 1ARR A Q 39 G -0.07151 0.01139 -1 Y -0.08701 1 R -0.08529 3 M -0.07594 2 V 0.03075 -3 E -0.05454 -2 I 23.85 25 7.5 9.3 0.11 B 0 H -1.22 1ARR A R 16 A -0.31504 -0.04519 -1 P -0.41276 1 E -0.17934 3 L -0.05725 2 V -0.28912 4 D 0.03133 -2 W 52.14 25 7.5 8.6 0.16 S 7 H 0.2 1ARR A R 23 A 1.56934 0.76578 1 K 1.30757 -1 V -0.27575 -3 D 1.06949 3 A 0.1023 -2 L 0.86981 2 V 38.73 25 7.5 10.4 0.11 U 3 H -1.1 1ARR A R 31 A -0.58453 -0.47573 1 S -0.12655 -1 G -0.2101 -5 A -0.29588 -4 E 0.03011 -2 N -0.22721 4 S 35.07 25 7.5 12.6 0.11 U 2 C -3.4 1ARR A R 40 A -0.31903 0.05142 1 V 0.03462 -1 Q 0.08879 -3 I -0.41503 3 E -0.05037 2 M 0.23438 -2 Y 8.34 25 7.5 12.3 0.13 B 0 H -4.6 1ARR A R 16 G -1.04963 -0.16962 -1 P -0.83883 1 E -0.91362 3 L -0.48703 2 V -0.52313 4 D -0.03947 -2 W 52.84 25 7.5 8.6 0.16 S 7 H -1.55 1ARR A R 23 G -0.81654 -0.15781 1 K -0.40045 -1 V -0.67097 -3 D -0.12279 3 A -0.2874 -2 L 0.0773 2 V 47.51 25 7.5 10.4 0.11 U 3 H -2.14 1ARR A S 5 A 1.07309 0.50703 -1 M 0.5848 1 K 1.07309 -4 M 0.23086 -2 G 0.54983 2 M 0.01624 -3 K 52.82 25 7.5 7.8 0.13 U 1 C 0.1 1ARR A S 32 A 0.97022 0.41479 -1 R 0.3667 1 V -0.109 2 N -0.08353 3 S 1.02968 -6 A 0.48206 4 E 61.77 25 7.5 12.9 0.1 S 6 C -3.8 1ARR A S 35 A -0.07526 0.11244 1 E -0.18466 -1 N -0.09577 3 Y -0.08928 -2 V -0.13449 2 I -0.08353 -3 S 37.54 25 7.5 9.9 0.1 B 0 H 0.2 1ARR A S 44 A 0.95383 0.37931 -1 E 0.51842 1 F 0.1682 8 G 0.37115 7 I 0.37063 -2 M 0.0704 2 K 16.3 25 7.5 9.1 0.13 B 0 H 0.98 1ARR A S 44 A 0.95383 0.37931 -1 E 0.51842 1 F 0.1682 8 G 0.37115 7 I 0.37063 -2 M 0.0704 2 K 0.17 25 7.5 9.1 0.13 B 0 H -1.6 1ARR A S 35 G -0.28829 -0.1115 1 E -0.22789 -1 N -0.11116 3 Y -0.15833 -2 V -0.1893 2 I -0.11094 -3 S 44.97 25 7.5 9.9 0.1 B 0 H -0.46 1ARR A V 18 A -0.53882 0.03739 -1 E -0.51375 1 L -0.22806 3 L 0.00169 2 D -0.14144 -3 P -0.02475 -2 R 8.98 25 7.5 10.8 0.11 U 3 H -0.5 1ARR A V 25 A 0.15143 0.01649 -1 K 0.3555 1 A 0.2059 3 E -0.19848 -3 V 0.26488 2 E 0.00994 -2 R 0 25 7.5 11.4 0.11 U 3 H -0.4 1ARR A V 33 A -0.51804 -0.17767 1 N -0.0077 -1 S -0.16782 3 E 0.13181 -7 A -0.16035 2 S -0.03691 -10 R 19.19 25 7.5 16.6 0.09 B 0 C 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-0.30843 20 W -0.20749 19 E -0.51908 -16 G -0.13476 18 Y 0 10 5 15 0.13 B 0 S -4.95 1RN1 C P 39 A -0.48553 -0.41533 -1 Y -0.06453 1 H -0.30843 20 W -0.20749 19 E -0.51908 -16 G -0.13476 18 Y 0 25 5 15 0.13 B 0 S -5.12 1RN1 C P 39 A -0.48553 -0.41533 -1 Y -0.06453 1 H -0.30843 20 W -0.20749 19 E -0.51908 -16 G -0.13476 18 Y 0 10 8 15 0.13 B 0 S -4.33 1RN1 C Q 25 K 0.11206 -0.00703 -1 Y -0.06022 1 L 0.65757 3 E -0.24115 -3 A 0.12914 2 H -0.19315 -2 G 53.08 25 7 8.7 0.13 S 6 H 0.77 1RX4 @ D 122 A 0.47696 0.24162 -1 G 0.02468 1 T 0.23056 -2 E -0.12154 2 H 0.36795 -107 G 0.48111 -103 A 92.71 15 7.8 13.6 0.27 S 5 T -1.6 1RX4 @ D 27 N 1.50333 0.47476 1 L 0.49092 -1 A 0.29435 -3 L 0.81301 3 W 0.03228 -2 P 0.26314 2 A 8.33 15 7.8 23.4 0.13 B 0 H 1.4 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 S -0.98 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 S -1 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 S -0.42 1RX4 @ F 31 A -1.37784 -0.10006 1 K -0.77852 -1 W -0.10882 -3 L -0.50691 3 N 0.06061 -2 A -0.29628 2 R 20.38 15 7.8 22 0.16 B 0 H -1.9 1RX4 @ F 31 V 0.02291 -0.06644 1 K -0.5778 -1 W 0.10596 -3 L -0.43158 3 N 0.07353 -2 A -0.39266 2 R 18.44 15 7.8 22 0.16 B 0 H -1.5 1RX4 @ G 15 A 1.28355 0.53124 1 M 0.80145 -1 I 0.31829 4 A 1.23626 5 M 0.51091 2 E -0.31663 108 T 47.01 15 7.8 19.4 0.21 B 0 C 0.7 1RX4 @ G 43 A 0.60333 0.55381 -1 M 0.08152 1 R 0.83454 19 L -0.11835 2 H -0.29181 3 T -0.21289 53 G 11.56 15 7.8 15 0.13 B 0 S -0.4 1RX4 @ G 67 A 0.17981 -0.21759 1 T -0.19399 -1 P 0.39915 7 W -0.00586 2 D -0.155 -2 Q 0.04398 -4 S 50.06 15 7 21.9 0.18 U 3 C 0.52 1RX4 @ G 95 A 2.48355 -0.49846 1 G 1.49586 -1 I 0.60981 -53 M 0.52478 4 V 0.5592 5 Y -0.06728 2 G 1.02 15 7.8 20.1 0.16 B 0 S 1.3 1RX4 @ G 121 A 1.10526 -0.34243 1 D 0.60124 -1 E -0.18131 2 T 0.73131 -108 V 1.18924 -2 V 0.1317 -106 G 45.62 15 7 16.1 0.2 B 0 C 0.5 1RX4 @ G 67 C 0.75177 0.26365 1 T 0.13203 -1 P 0.61606 7 W 0.48541 2 D -0.04307 -2 Q 0.14858 -4 S 50.06 15 7 21.9 0.18 U 3 C -0.36 1RX4 @ G 121 C 0.28536 -0.34918 1 D -0.1452 -1 E -0.00715 2 T 0.43167 -108 V 0.66283 -2 V -0.13423 -106 G 45.62 15 7 16.1 0.2 B 0 C 0.09 1RX4 @ G 67 D -0.48343 -0.42338 1 T -0.26705 -1 P -0.05773 7 W -0.29308 2 D -0.11682 -2 Q 0.07182 -4 S 50.06 15 7 21.9 0.18 U 3 C -0.14 1RX4 @ G 121 D -1.95715 -0.64408 1 D -0.17568 -1 E -0.44014 2 T -0.3885 -108 V -0.83628 -2 V -0.94658 -106 G 45.62 15 7 16.1 0.2 B 0 C 0.19 1RX4 @ G 121 H 1.0688 0.75095 1 D 0.50864 -1 E 0.20834 2 T 0.38644 -108 V 0.02213 -2 V -0.18053 -106 G 45.62 15 7 16.1 0.2 B 0 C -0.11 1RX4 @ G 67 L 0.81092 -0.00978 1 T -0.08852 -1 P 0.51388 7 W 0.05312 2 D 0.08985 -2 Q 0.15544 -4 S 50.06 15 7 21.9 0.18 U 3 C -0.44 1RX4 @ G 121 L 1.40526 -0.61862 1 D 0.5516 -1 E -0.03048 2 T 1.21361 -108 V 1.54877 -2 V 0.02089 -106 G 45.62 15 7 16.1 0.2 B 0 C -0.38 1RX4 @ G 121 L 1.40526 -0.61862 1 D 0.5516 -1 E -0.03048 2 T 1.21361 -108 V 1.54877 -2 V 0.02089 -106 G 45.62 15 7 16.1 0.2 B 0 C -0.63 1RX4 @ G 67 S 0.59085 0.21015 1 T 0.25825 -1 P 0.40856 7 W 0.331 2 D -0.0103 -2 Q 0.05633 -4 S 50.06 15 7 21.9 0.18 U 3 C 0.07 1RX4 @ G 121 S -0.17564 -0.04208 1 D 0.14343 -1 E 0.05107 2 T 0.19231 -108 V -0.12814 -2 V -0.23518 -106 G 45.62 15 7 16.1 0.2 B 0 C 0.01 1RX4 @ G 67 T 0.46096 0.21317 1 T 0.24618 -1 P 0.1214 7 W -0.03326 2 D 0.1101 -2 Q -4.87E-04 -4 S 50.06 15 7 21.9 0.18 U 3 C -0.21 1RX4 @ G 67 V 1.1199 -0.15848 1 T -0.01463 -1 P 0.8457 7 W 0.31018 2 D -0.06786 -2 Q 0.28195 -4 S 50.06 15 7 21.9 0.18 U 3 C -0.94 1RX4 @ G 121 V 2.22463 -0.43186 1 D 0.67186 -1 E 0.3044 2 T 1.60202 -108 V 1.88972 -2 V 0.33993 -106 G 45.62 15 7 16.1 0.2 B 0 C -1.22 1RX4 @ G 121 V 2.22463 -0.43186 1 D 0.67186 -1 E 0.3044 2 T 1.60202 -108 V 1.88972 -2 V 0.33993 -106 G 45.62 15 7 16.1 0.2 B 0 C -0.99 1RX4 @ G 121 Y 0.92277 -0.06578 1 D 0.42391 -1 E 0.03036 2 T 0.71711 -108 V 0.72583 -2 V 0.06243 -106 G 45.62 15 7 16.1 0.2 B 0 C -0.2 1RX4 @ I 155 A -1.88292 -0.65085 1 L -0.58342 -1 E -0.84947 -44 Y -0.38261 -18 F -0.67893 -45 L -0.34825 -19 V 14.92 15 7.8 13.9 0.13 B 0 S -4 1RX4 @ I 155 L 0.29027 0.55097 1 L 0.1116 -1 E -0.178 -44 Y -0.0827 -18 F 0.28943 -45 L 0.01196 -19 V 14.92 15 7.8 13.9 0.13 B 0 S -2.8 1RX4 @ I 155 V -0.73422 -0.1636 1 L -0.21386 -1 E -0.53877 -44 Y -0.03186 -18 F -0.24165 -45 L -4.42E-04 -19 V 14.92 15 7.8 13.9 0.13 B 0 S 0 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 1.72 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 1.7 1RX4 @ L 24 V -0.25431 -0.1343 1 P 0.07491 -1 N 0.14535 123 N -0.07765 3 D 0.00466 2 A -0.10142 -2 W 2.84 15 7.8 24.5 0.15 B 0 C -1.9 1RX4 @ L 54 V 0.34809 0.0057 -1 P -0.13577 1 P -0.16088 3 R -0.06008 -2 R 0.1445 5 N -0.05232 4 K 7.86 15 7.8 31.5 0.16 B 0 C 0.4 1RX4 @ P 66 A -0.45836 -0.12633 -1 Q -0.27147 1 G -0.06696 -2 S -0.04737 2 T -0.26004 -3 S -0.3185 8 W 80.83 15 7.8 13.4 0.2 S 8 C 1.3 1RX4 @ P 21 L 1.81335 0.19283 1 W 0.63927 -2 A -0.222 2 N 0.11837 -3 N 1.38897 98 V 0.8257 96 A 53.77 15 7.8 16.1 0.22 S 3 C -0.1 1RX4 @ R 44 A 0.55754 0.16484 1 H 0.15485 -1 G 0.19345 3 W 0.2907 2 T 0.11992 19 S 0.29588 18 L 20.48 15 7.8 17.1 0.19 B 0 H -1.4 1RX4 @ R 44 L 0.95017 0.16809 1 H 0.42081 -1 G 0.35204 3 W 0.2709 2 T 0.31804 19 S 0.62562 18 L 11.18 15 7.8 17.1 0.19 B 0 H 1.4 1RX4 @ R 44 L 0.95017 0.16809 1 H 0.42081 -1 G 0.35204 3 W 0.2709 2 T 0.31804 19 S 0.62562 18 L 29.26 15 7.8 17.1 0.19 B 0 H 1.5 1RX4 @ T 35 A 1.67473 0.00114 -1 N 0.5257 1 L 0.34634 -3 K 0.14362 -2 R 0.2944 3 K 0.37366 -4 F 0 15 7.8 27 0.12 B 0 H -1.1 1RX4 @ T 113 V 2.6976 1.77368 -1 L 0.33234 1 H 1.2247 -106 A 0.61422 40 F 0.08044 39 C 0.627 -105 L 0.72 15 7.8 16.4 0.15 B 0 S -1.2 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 0.1 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 0.39 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 0.1 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 -1.3 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 -2 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 -1.3 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 0.75 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 -1.2 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 0.3 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 -1.3 1RX4 @ W 74 F 1.1065 0.49565 -1 T 0.50257 1 V 0.73216 -13 I 0.22641 -7 G 0.41371 -14 I 0.29016 -12 L 22.37 15 7.8 13.1 0.13 B 0 S -1.2 1RX4 @ W 22 L 1.20725 -0.48034 -1 P 0.09773 1 N 1.14804 -2 M -0.44748 126 S 0.68723 2 L -0.37116 127 H 13.26 15 7.8 22.8 0.18 B 0 C 0.1 1SAK A A 347 G -2.27239 -1.15349 1 L -0.86032 -3 L -1.05362 3 L -0.36747 -2 N -0.74188 2 E -0.65 -4 E 0 25 7 6.8 0.15 U 1 H -2.7 1SAK A D 352 A 1.28701 0.44641 -1 K 0.9753 1 A 0.64013 3 A 0.51216 -3 E 0.52912 -2 L 0.29113 2 Q 45.45 25 7 7.9 0.09 U 1 H -2.2 1SAK A E 336 A -0.10389 -0.02668 1 R -0.10819 -1 R 0.00489 2 F 0.0226 3 E -0.09478 -2 G -0.01401 4 M 86.26 25 7 7.4 0.12 S 6 H 3 1SAK A E 343 A 0.91056 0.8485 1 L -0.06853 -1 R 0.54819 -3 M 0.37793 3 E 0.29637 -2 F -0.11339 2 N 40.98 25 7 7.3 0.15 U 2 H -1.1 1SAK A E 346 A 1.2259 0.38866 -1 N 1.21054 1 A 0.47958 3 E 0.37793 -3 E 0.45324 -2 L 0.45324 2 L 50.26 25 7 7.9 0.11 B 0 H -0.4 1SAK A E 349 A 0.79139 0.46726 -1 L 0.56923 1 L 0.47958 -3 E 0.06671 3 D 0.73818 -2 A -0.16579 2 K 46.37 25 7 8.1 0.06 B 0 H -3.8 1SAK A F 328 A -0.15312 -0.12804 -1 Y -0.02509 1 T -0.12804 -2 E -0.02509 2 L -0.12804 -3 G -0.02509 3 Q 29.55 25 7 3.5 0.37 S 5 C -7.2 1SAK A F 338 A 0.20604 0.11796 1 E 0.0972 -1 R 0.24011 -3 R 0.07124 3 F -0.06447 2 M 0.15852 -2 E 17.49 25 7 9.8 0.15 U 3 H -7.2 1SAK A F 339 A 0.50193 0.50069 1 M 0.01331 3 R 0.0226 -3 E 0.06699 -2 R 0.46726 2 F -0.01892 4 E 43.1 25 7 7.4 0.13 S 4 H -1.8 1SAK A F 341 I 0.36278 0.15302 1 R 0.00917 -1 M -0.08327 3 L 0.48003 -3 F 0.04331 2 E 0.11358 -2 E 0.2 25 7 13.3 0.13 U 1 H -6.9 1SAK A F 328 L -0.0676 -0.12166 -1 Y 0.05406 1 T -0.12166 -2 E 0.05406 2 L -0.12166 -3 G 0.05406 3 Q 29.55 25 7 3.5 0.37 S 5 C -3.5 1SAK A F 341 L 0.49651 0.17024 1 R 0.10244 -1 M 0.06887 3 L 0.48053 -3 F 0.08135 2 E 0.10422 -2 E 0.2 25 7 13.3 0.13 U 1 H -3.1 1SAK A F 341 L 0.49651 0.17024 1 R 0.10244 -1 M 0.06887 3 L 0.48053 -3 F 0.08135 2 E 0.10422 -2 E 0.2 25 7 13.3 0.13 U 1 H -3.3 1SAK A I 332 V 0.48941 0.20267 1 R 0.01634 -1 Q 0.41912 6 F 0.00979 -2 L 0.22838 5 R 0.09312 3 R 0.43 25 7 12.9 0.24 U 4 C -4.8 1SAK A I 332 V 0.48941 0.20267 1 R 0.01634 -1 Q 0.41912 6 F 0.00979 -2 L 0.22838 5 R 0.09312 3 R 0.43 25 7 12.9 0.24 U 4 C -5 1SAK A K 351 A 0.69968 -0.40257 1 D 0.5767 -1 L 0.34749 3 Q 0.51925 -3 L 0.1939 2 A -0.40509 -2 E 24.99 25 7 7.2 0.13 U 3 H 2.5 1SAK A L 350 A 0.20427 0.01386 -1 E -0.01937 1 K 0.20074 -3 A 0.11414 3 A -0.1152 -2 L 0.05081 2 D 25.56 25 7 7.4 0.12 U 1 H -2.1 1SAK A L 330 F -0.07182 0.11832 1 Q 0.10899 -1 T -0.2978 2 I 0.10899 -2 F -0.03847 3 R -0.08234 8 F 13.49 25 7 13.2 0.31 S 7 C -5.2 1SAK A L 344 F -0.44103 0.03158 1 N -0.38076 -1 E -0.22666 3 A -0.15012 -3 F -0.10569 2 E 0.04197 -2 R 0.11 25 7 7 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8 15.4 0.13 B 0 S -3.83 2HPR @ G 49 A 1.74243 0.59107 -1 M 1.47363 1 V 0.18705 -3 S 0.35863 -2 I 0.5716 3 S 0.43558 2 V 23.76 25 7 10.4 0.11 S 6 H 0.9 2HPR @ G 49 E -0.99174 -0.5126 -1 M -0.80122 1 V -0.34679 -3 S -0.34373 -2 I -0.12872 3 S -0.2747 2 V 23.76 25 7 10.4 0.11 S 6 H 1.2 2HPR @ G 49 K -1.0244 -0.42256 -1 M -0.57816 1 V -0.34119 -3 S -0.25202 -2 I -0.39016 3 S -0.34387 2 V 23.76 25 7 10.4 0.11 S 6 H -0.8 2IFB @ A 104 C 0.25178 0.10735 -1 I -0.13395 1 V 0.30764 13 Y 0.05805 -13 G 0.1778 12 T -0.10117 -14 V 3.54 20 7.2 9.6 0.15 B 0 S 2.54 2IFB @ A 104 C 0.25178 0.10735 -1 I -0.13395 1 V 0.30764 13 Y 0.05805 -13 G 0.1778 12 T -0.10117 -14 V 3.54 20 9.6 9.6 0.15 B 0 S 1.51 2IFB @ G 65 A 0.39403 0.35799 1 V 0.77577 -1 L -0.13734 16 T 0.06885 18 T 0.11594 17 W -0.12392 2 D 59.47 20 7.4 8.8 0.18 S 5 T -1.33 2IFB @ I 23 C -1.56701 -0.33521 1 N -0.09271 -1 G -0.34662 -4 E -0.88507 -5 M -0.31457 -2 M -0.64103 5 R 12.16 20 7.2 21.7 0.16 B 0 C 0.91 2IFB @ I 23 C -1.56701 -0.33521 1 N 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