==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-JUN-06 2HCM . COMPND 2 MOLECULE: DUAL SPECIFICITY PROTEIN PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Y.PATSKOVSKY,S.C.ALMO,S.K.BURLEY,NEW YORK SGX RESEARCH CENTE . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8326.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 13 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 0 A S 0 0 105 0, 0.0 2,-1.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 119.1 30.2 14.9 -17.1 2 1 A L + 0 0 188 1,-0.1 3,-0.1 0, 0.0 0, 0.0 -0.491 360.0 76.4 -67.7 90.0 32.3 16.5 -19.8 3 2 A G S S- 0 0 53 -2,-1.5 2,-0.2 1,-1.0 -1,-0.1 0.400 91.4 -20.3-112.4-120.2 29.5 17.8 -22.0 4 3 A T S S- 0 0 129 1,-0.2 -1,-1.0 -3,-0.1 0, 0.0 0.076 91.1 -55.7 77.3 127.5 27.4 20.0 -22.1 5 4 A S - 0 0 108 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.2 -0.061 52.8-102.0 -67.4 173.4 26.4 22.0 -19.0 6 5 A E - 0 0 118 1,-0.2 -1,-0.1 -3,-0.1 0, 0.0 -0.889 24.6-150.2-104.2 116.6 25.0 20.6 -15.7 7 6 A A S S+ 0 0 102 -2,-0.6 -1,-0.2 2,-0.1 -2,-0.0 0.910 83.8 48.4 -51.5 -52.2 21.2 21.1 -15.5 8 7 A A S S- 0 0 68 1,-0.1 -2,-0.0 -3,-0.1 0, 0.0 -0.656 97.6-112.5 -90.9 148.6 21.1 21.4 -11.7 9 8 A P - 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.342 37.9 -92.4 -75.9 163.8 23.5 23.8 -10.2 10 9 A P - 0 0 77 0, 0.0 16,-0.1 0, 0.0 -4,-0.0 -0.483 35.9-119.8 -67.0 150.5 26.3 22.5 -8.0 11 10 A P S S+ 0 0 18 0, 0.0 12,-1.9 0, 0.0 15,-0.3 0.205 91.1 36.8 -80.2 22.0 25.2 22.5 -4.3 12 11 A F E -A 22 0A 22 10,-0.2 2,-0.3 13,-0.1 10,-0.2 -0.976 64.4-151.4-159.6 169.0 28.0 24.8 -3.4 13 12 A A E -A 21 0A 35 8,-2.4 8,-2.4 -2,-0.3 2,-0.4 -0.989 30.3-100.3-147.4 151.2 30.1 27.8 -4.6 14 13 A R E +A 20 0A 146 -2,-0.3 6,-0.3 6,-0.2 79,-0.0 -0.578 31.1 175.4 -79.8 127.2 33.5 29.2 -4.1 15 14 A V E - 0 0 14 4,-2.9 5,-0.2 1,-0.4 -1,-0.2 0.785 69.7 -27.5 -93.0 -40.1 33.8 32.0 -1.6 16 15 A A E > S-A 19 0A 5 3,-1.4 3,-2.2 113,-0.0 -1,-0.4 -0.914 99.2 -41.2-164.4 170.4 37.6 32.4 -1.6 17 16 A P T 3 S- 0 0 77 0, 0.0 3,-0.0 0, 0.0 -2,-0.0 -0.264 129.2 -2.6 -47.8 132.8 40.7 30.1 -2.3 18 17 A A T 3 S+ 0 0 28 1,-0.1 74,-2.8 73,-0.1 2,-0.4 0.578 114.2 106.0 60.0 17.1 40.1 26.7 -0.6 19 18 A L E < +Ab 16 92A 0 -3,-2.2 -4,-2.9 72,-0.2 -3,-1.4 -0.971 41.4 173.1-134.6 122.1 36.7 27.9 0.8 20 19 A F E -Ab 14 93A 29 72,-3.0 74,-2.5 -2,-0.4 2,-0.4 -0.918 15.1-155.5-124.9 150.5 33.2 26.9 -0.4 21 20 A I E +Ab 13 94A 0 -8,-2.4 -8,-2.4 -2,-0.3 2,-0.3 -0.961 32.3 129.1-121.0 143.7 29.7 27.6 0.9 22 21 A G E -Ab 12 95A 0 72,-2.1 74,-1.1 -2,-0.4 2,-0.2 -0.881 44.7 -85.2-164.8-161.3 26.7 25.4 0.2 23 22 A N E > - b 0 96A 28 -12,-1.9 3,-2.4 -2,-0.3 74,-0.2 -0.759 47.2 -89.9-124.6 171.8 23.7 23.4 1.4 24 23 A A G > S+ 0 0 6 72,-1.4 3,-1.6 73,-0.9 4,-0.3 0.633 112.7 76.0 -61.5 -18.3 23.0 19.9 2.7 25 24 A R G > S+ 0 0 204 72,-0.4 3,-0.7 1,-0.3 4,-0.3 0.727 83.5 71.6 -65.0 -17.7 22.3 18.4 -0.8 26 25 A A G X S+ 0 0 0 -3,-2.4 3,-1.2 -15,-0.3 -1,-0.3 0.750 77.8 78.6 -61.5 -28.8 26.1 18.6 -1.1 27 26 A A G < S+ 0 0 5 -3,-1.6 25,-0.6 1,-0.3 -1,-0.2 0.858 99.6 38.0 -51.8 -41.6 26.4 15.7 1.3 28 27 A G G < S+ 0 0 66 -3,-0.7 2,-1.9 -4,-0.3 -1,-0.3 0.488 88.0 98.2 -90.7 -5.1 25.5 13.1 -1.3 29 28 A A <> + 0 0 23 -3,-1.2 4,-2.3 -4,-0.3 3,-0.4 -0.354 45.7 161.6 -82.7 58.5 27.4 14.8 -4.2 30 29 A T H > + 0 0 56 -2,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.862 69.4 47.1 -45.9 -53.2 30.5 12.5 -3.7 31 30 A E H > S+ 0 0 124 -3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.854 112.1 49.4 -65.2 -38.0 32.0 13.1 -7.2 32 31 A L H > S+ 0 0 44 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.865 110.5 51.5 -67.3 -37.8 31.7 16.9 -6.9 33 32 A L H <>S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 4,-0.4 0.942 113.6 43.3 -62.8 -48.8 33.3 16.9 -3.5 34 33 A V H ><5S+ 0 0 80 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.925 112.9 52.8 -63.0 -44.2 36.2 14.9 -4.7 35 34 A R H 3<5S+ 0 0 167 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.849 109.1 48.9 -61.0 -37.4 36.6 17.0 -7.9 36 35 A A T 3<5S- 0 0 29 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.517 112.5-121.8 -78.3 -5.6 36.7 20.2 -5.9 37 36 A G T < 5 + 0 0 36 -3,-1.4 54,-2.0 -4,-0.4 2,-0.3 0.778 49.5 169.2 65.7 27.6 39.4 18.7 -3.6 38 37 A I E < +c 91 0A 4 -5,-2.1 -1,-0.2 52,-0.2 54,-0.2 -0.586 13.2 168.9 -69.8 126.5 37.2 19.2 -0.5 39 38 A T E + 0 0 52 52,-2.3 18,-3.0 -2,-0.3 2,-0.4 0.447 64.3 44.5-116.1 -12.7 38.7 17.3 2.4 40 39 A L E -cd 92 57A 9 51,-1.5 53,-2.5 16,-0.2 2,-0.5 -0.960 58.8-167.5-139.6 121.7 36.5 18.8 5.2 41 40 A C E -cd 93 58A 0 16,-2.6 18,-2.5 -2,-0.4 2,-0.8 -0.943 11.3-155.1-101.3 122.8 32.8 19.4 5.3 42 41 A V E -cd 94 59A 1 51,-3.1 53,-2.7 -2,-0.5 2,-0.9 -0.896 11.1-161.9 -96.1 106.1 31.7 21.6 8.1 43 42 A N E -cd 95 60A 0 16,-2.1 18,-2.6 -2,-0.8 2,-1.6 -0.805 3.8-166.2 -94.3 100.5 28.1 20.6 8.7 44 43 A V + 0 0 0 51,-3.0 53,-0.4 -2,-0.9 2,-0.3 -0.622 54.7 81.3 -92.1 78.2 26.4 23.4 10.6 45 44 A S S S- 0 0 2 -2,-1.6 19,-0.1 51,-0.2 -2,-0.1 -0.973 72.5-128.5-164.0 171.2 23.3 21.5 11.6 46 45 A R S S+ 0 0 113 -2,-0.3 -1,-0.1 16,-0.2 18,-0.1 0.816 104.1 13.5 -96.7 -36.0 21.9 19.1 14.1 47 46 A Q S S+ 0 0 159 2,-0.1 -2,-0.0 0, 0.0 -1,-0.0 0.403 87.5 118.7-124.3 -1.0 20.3 16.6 11.8 48 47 A Q - 0 0 46 1,-0.1 -3,-0.1 -5,-0.0 -5,-0.0 -0.483 69.2-104.2 -72.6 142.3 21.5 17.2 8.2 49 48 A P - 0 0 77 0, 0.0 -22,-0.2 0, 0.0 -1,-0.1 -0.190 30.9-137.5 -64.2 156.8 23.3 14.3 6.6 50 49 A G - 0 0 11 1,-0.1 8,-0.1 -23,-0.1 -8,-0.0 -0.616 30.3 -83.0-104.8 171.4 27.1 14.3 6.2 51 50 A P - 0 0 5 0, 0.0 -23,-0.2 0, 0.0 -1,-0.1 -0.256 21.9-162.8 -70.0 157.6 29.2 13.1 3.3 52 51 A R + 0 0 195 -25,-0.6 5,-0.1 2,-0.1 -24,-0.1 -0.272 47.1 133.3-130.6 43.8 30.2 9.5 2.7 53 52 A A > - 0 0 10 3,-0.2 3,-1.6 -26,-0.1 2,-0.1 -0.769 63.5-103.5-102.2 142.0 33.0 10.3 0.3 54 53 A P T 3 S+ 0 0 108 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.420 104.7 10.5 -66.8 131.7 36.5 8.8 0.5 55 54 A G T 3 S+ 0 0 74 1,-0.2 2,-0.6 -2,-0.1 -2,-0.0 0.552 99.4 119.7 78.5 9.2 39.1 11.2 2.0 56 55 A V < - 0 0 21 -3,-1.6 -16,-0.2 -16,-0.0 2,-0.2 -0.935 48.5-157.3-112.3 114.9 36.5 13.7 3.1 57 56 A A E -d 40 0A 52 -18,-3.0 -16,-2.6 -2,-0.6 2,-0.4 -0.569 5.7-148.8 -83.6 150.7 36.2 14.4 6.8 58 57 A E E -d 41 0A 58 -18,-0.2 2,-0.4 -2,-0.2 -16,-0.2 -0.979 13.1-175.9-119.6 137.4 33.1 15.8 8.5 59 58 A L E -d 42 0A 85 -18,-2.5 -16,-2.1 -2,-0.4 2,-0.5 -0.987 16.3-151.2-125.0 122.5 32.8 18.0 11.5 60 59 A R E -d 43 0A 92 -2,-0.4 -16,-0.2 -18,-0.2 -18,-0.1 -0.808 9.7-164.2 -98.5 130.9 29.3 18.8 12.7 61 60 A V - 0 0 8 -18,-2.6 2,-2.1 -2,-0.5 -16,-0.1 -0.889 18.1-152.9-109.3 93.3 28.6 22.1 14.4 62 61 A P + 0 0 55 0, 0.0 2,-0.4 0, 0.0 -16,-0.2 -0.398 39.8 136.9 -81.7 70.7 25.2 21.2 16.0 63 62 A V - 0 0 0 -2,-2.1 2,-0.2 6,-0.1 -17,-0.2 -0.899 49.5-128.0-115.6 143.6 23.4 24.6 16.3 64 63 A F - 0 0 117 -2,-0.4 2,-1.7 -19,-0.1 5,-0.1 -0.551 31.9-111.1 -74.8 152.3 19.8 25.6 15.5 65 64 A D S S+ 0 0 68 -2,-0.2 -1,-0.1 3,-0.0 36,-0.0 -0.629 75.2 125.9 -84.0 81.9 19.4 28.5 13.2 66 65 A D > - 0 0 79 -2,-1.7 3,-2.1 70,-0.1 -2,-0.1 -0.997 67.8-129.7-142.4 134.1 18.0 30.8 16.0 67 66 A P T 3 S+ 0 0 72 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.729 110.5 56.0 -53.7 -25.7 19.1 34.2 17.2 68 67 A A T 3 S+ 0 0 91 2,-0.1 2,-0.1 3,-0.0 -3,-0.0 0.563 86.0 106.5 -84.4 -11.7 19.3 32.9 20.8 69 68 A E S < S- 0 0 43 -3,-2.1 2,-1.4 -5,-0.1 3,-0.3 -0.390 77.4-120.1 -70.1 147.5 21.6 30.1 19.9 70 69 A D + 0 0 71 1,-0.2 4,-0.4 -2,-0.1 3,-0.1 -0.621 51.4 148.5 -93.0 77.2 25.2 30.3 20.9 71 70 A L >> + 0 0 1 -2,-1.4 3,-1.3 1,-0.2 4,-1.0 0.863 63.1 73.5 -68.1 -36.9 27.1 30.2 17.6 72 71 A L H >> S+ 0 0 44 -3,-0.3 3,-0.9 1,-0.3 4,-0.6 0.828 91.4 51.9 -48.7 -48.1 29.9 32.4 19.1 73 72 A T H 34 S+ 0 0 97 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.790 110.1 51.1 -64.0 -28.5 31.4 29.8 21.3 74 73 A H H <> S+ 0 0 62 -3,-1.3 4,-2.4 -4,-0.4 -1,-0.3 0.708 92.9 79.5 -76.8 -22.7 31.7 27.4 18.4 75 74 A L H S+ 0 0 85 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.920 116.8 50.7 -63.6 -38.0 37.4 26.0 17.3 78 77 A T H X S+ 0 0 19 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.949 110.9 47.6 -60.3 -48.8 35.4 25.6 14.1 79 78 A C H X S+ 0 0 0 -4,-3.1 4,-2.6 -5,-0.2 -1,-0.2 0.818 109.9 54.3 -61.3 -33.0 37.5 28.2 12.2 80 79 A A H X S+ 0 0 44 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.888 107.1 49.3 -68.2 -42.4 40.7 26.5 13.5 81 80 A A H X S+ 0 0 29 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.923 112.3 50.1 -58.9 -46.2 39.6 23.1 12.1 82 81 A M H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.945 110.8 47.6 -57.4 -49.9 38.9 24.8 8.8 83 82 A E H X S+ 0 0 22 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.890 109.8 53.3 -62.5 -39.6 42.3 26.6 8.7 84 83 A A H X S+ 0 0 60 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.915 110.3 46.7 -62.0 -43.4 44.1 23.3 9.5 85 84 A A H <>S+ 0 0 18 -4,-2.1 5,-2.3 2,-0.2 -2,-0.2 0.917 115.4 47.7 -62.3 -42.1 42.4 21.5 6.6 86 85 A V H ><5S+ 0 0 24 -4,-2.3 3,-1.8 3,-0.2 -2,-0.2 0.925 110.6 49.4 -64.6 -46.4 43.2 24.4 4.3 87 86 A R H 3<5S+ 0 0 193 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.808 106.0 57.7 -69.2 -26.6 46.9 24.7 5.4 88 87 A D T 3<5S- 0 0 151 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.439 128.1-100.2 -79.1 0.2 47.2 20.9 4.8 89 88 A G T < 5S+ 0 0 67 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.382 82.7 117.5 103.8 -4.2 46.1 21.5 1.2 90 89 A G < - 0 0 6 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.3 -0.368 60.2-118.2 -88.7 172.0 42.4 20.6 1.2 91 90 A S E - c 0 38A 20 -54,-2.0 -52,-2.3 -2,-0.1 -51,-1.5 -0.839 22.9-137.0-106.1 150.5 39.4 22.7 0.5 92 91 A C E -bc 19 40A 0 -74,-2.8 -72,-3.0 -2,-0.3 2,-0.5 -0.914 10.7-163.4-110.9 131.6 36.7 23.3 3.0 93 92 A L E -bc 20 41A 0 -53,-2.5 -51,-3.1 -2,-0.5 2,-0.6 -0.962 4.8-164.3-109.0 126.7 33.0 23.3 2.4 94 93 A V E +bc 21 42A 0 -74,-2.5 -72,-2.1 -2,-0.5 2,-0.3 -0.953 21.4 166.7-106.9 120.7 30.7 24.9 5.0 95 94 A Y E -bc 22 43A 0 -53,-2.7 -51,-3.0 -2,-0.6 2,-0.3 -0.929 20.5-178.2-131.5 160.0 27.1 23.9 4.6 96 95 A C E -b 23 0A 0 -74,-1.1 -72,-1.4 -2,-0.3 3,-0.2 -0.799 55.1 -76.0-135.1-176.4 23.8 24.0 6.5 97 96 A K S S+ 0 0 127 -53,-0.4 -73,-0.9 -2,-0.3 -72,-0.4 0.927 127.0 10.1 -49.1 -54.7 20.3 22.7 5.5 98 97 A N S S- 0 0 74 -75,-0.2 -1,-0.2 -74,-0.1 -75,-0.2 0.325 99.7-115.0-113.2 5.3 19.5 25.5 3.1 99 98 A G S S+ 0 0 0 -77,-0.2 -76,-0.1 -3,-0.2 -2,-0.1 0.819 85.4 99.1 66.5 30.5 22.8 27.3 2.7 100 99 A R S > S+ 0 0 109 33,-0.1 34,-1.5 34,-0.1 4,-0.6 0.757 81.4 4.9-111.4 -80.3 21.5 30.6 4.3 101 100 A S H > S+ 0 0 5 32,-0.2 4,-2.1 3,-0.1 5,-0.2 0.976 125.6 38.1 -82.6 -56.4 22.0 31.6 7.9 102 101 A R H > S+ 0 0 31 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.934 119.3 44.2 -65.2 -50.8 24.3 29.2 9.7 103 102 A S H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.866 113.9 52.5 -63.3 -37.0 26.8 28.4 6.8 104 103 A A H X S+ 0 0 0 -4,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.922 109.4 48.7 -63.2 -44.1 27.0 32.1 5.9 105 104 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.920 113.3 47.1 -64.5 -42.7 27.8 33.1 9.5 106 105 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.936 112.9 47.5 -67.0 -45.4 30.5 30.4 9.8 107 106 A C H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.893 112.4 51.3 -58.2 -41.3 32.2 31.3 6.4 108 107 A T H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.922 109.3 49.8 -62.2 -45.9 32.1 35.0 7.4 109 108 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.918 110.0 51.5 -56.6 -44.8 33.8 34.1 10.8 110 109 A Y H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.5 0.893 107.1 52.2 -62.6 -42.4 36.5 32.1 9.0 111 110 A L H X S+ 0 0 0 -4,-2.0 6,-1.7 1,-0.2 4,-1.3 0.874 113.8 43.6 -63.7 -38.3 37.3 35.0 6.5 112 111 A M H < S+ 0 0 0 -4,-1.8 4,-0.4 4,-0.2 -2,-0.2 0.892 118.7 44.8 -68.3 -41.7 37.7 37.4 9.4 113 112 A R H < S+ 0 0 54 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.861 131.9 13.5 -73.7 -39.2 39.7 35.0 11.5 114 113 A H H < S+ 0 0 40 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.493 126.0 47.9-123.9 -7.6 42.1 33.6 8.9 115 114 A R S < S- 0 0 67 -4,-1.3 -3,-0.2 -5,-0.5 -4,-0.1 0.336 99.7-117.5-118.1 4.2 42.0 35.8 5.8 116 115 A G + 0 0 51 -4,-0.4 2,-0.3 1,-0.2 -4,-0.2 0.628 62.6 144.3 75.5 15.8 42.3 39.3 7.5 117 116 A H - 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