==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 18-DEC-03 1RXD . COMPND 2 MOLECULE: PROTEIN TYROSINE PHOSPHATASE TYPE IVA, MEMBER 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.P.SUN,A.A.FEDOROV,S.C.ALMO,Z.Y.ZHANG,S.K.BURLEY,NEW YORK . 452 5 3 1 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20573.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 0 0.0 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 . 21 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.0 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 3 0 1 0 5 2 4 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 3 3 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 0 3 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 3 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 8 A P 0 0 84 0, 0.0 2,-0.4 0, 0.0 13,-0.2 0.000 360.0 360.0 360.0 137.6 -5.1 -10.3 15.0 2 9 A V E -A 13 0A 7 11,-2.1 11,-2.9 126,-0.0 2,-0.5 -0.864 360.0-156.0-107.1 139.5 -5.1 -11.2 18.7 3 10 A E E -A 12 0A 21 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.960 10.1-176.5-119.1 130.2 -4.1 -8.6 21.2 4 11 A V E -A 11 0A 2 7,-2.1 7,-3.1 -2,-0.5 2,-0.4 -0.988 2.0-177.3-127.5 134.0 -2.8 -9.4 24.7 5 12 A T E +A 10 0A 14 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.989 9.8 160.7-133.8 142.8 -2.0 -6.9 27.5 6 13 A Y E > -A 9 0A 67 3,-1.9 3,-2.3 -2,-0.4 -2,-0.0 -0.920 64.3 -28.9-159.9 130.1 -0.5 -7.4 30.9 7 14 A K T 3 S- 0 0 72 -2,-0.3 269,-0.2 1,-0.3 268,-0.1 -0.359 128.7 -22.9 58.5-133.7 1.2 -4.8 33.2 8 15 A N T 3 S+ 0 0 14 267,-0.1 80,-0.3 -3,-0.1 2,-0.3 0.351 120.4 99.8 -90.4 9.5 2.8 -2.2 31.0 9 16 A X E < +A 6 0A 0 -3,-2.3 -3,-1.9 78,-0.1 2,-0.3 -0.692 42.6 175.1-100.8 146.7 3.0 -4.6 28.0 10 17 A R E -A 5 0A 0 -2,-0.3 81,-2.1 -5,-0.2 2,-0.3 -0.932 9.5-171.9-150.2 122.6 0.7 -4.9 25.0 11 18 A F E -Ab 4 91A 1 -7,-3.1 -7,-2.1 -2,-0.3 2,-0.5 -0.908 14.5-153.9-120.6 146.9 1.3 -7.3 22.1 12 19 A L E -Ab 3 92A 3 79,-2.5 81,-2.5 -2,-0.3 2,-0.9 -0.966 6.2-161.3-120.8 113.5 -0.3 -7.7 18.7 13 20 A I E +Ab 2 93A 0 -11,-2.9 -11,-2.1 -2,-0.5 81,-0.2 -0.861 30.9 167.3 -94.5 106.9 -0.0 -11.2 17.2 14 21 A T - 0 0 17 79,-2.0 81,-0.5 -2,-0.9 2,-0.2 -0.442 33.8 -94.9-112.8-173.8 -0.8 -10.5 13.6 15 22 A H - 0 0 84 79,-0.2 -1,-0.1 -2,-0.1 82,-0.1 -0.629 43.7 -94.4-102.1 162.1 -0.5 -12.3 10.2 16 23 A N - 0 0 37 -2,-0.2 82,-0.1 82,-0.1 80,-0.1 -0.642 46.1-154.4 -76.7 122.0 2.2 -12.0 7.7 17 24 A P - 0 0 10 0, 0.0 2,-0.3 0, 0.0 27,-0.1 -0.225 6.8-124.0 -87.2-175.9 1.3 -9.3 5.1 18 25 A T > - 0 0 73 1,-0.1 3,-1.7 -2,-0.1 4,-0.3 -0.860 26.7-106.4-126.5 161.6 2.4 -9.0 1.5 19 26 A N G > S+ 0 0 98 25,-0.3 3,-1.0 -2,-0.3 4,-0.3 0.873 121.5 55.2 -53.9 -37.0 4.2 -6.2 -0.4 20 27 A A G 3 S+ 0 0 96 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.622 113.2 39.4 -73.3 -14.6 0.8 -5.5 -2.1 21 28 A T G <> S+ 0 0 65 -3,-1.7 4,-1.9 1,-0.1 -1,-0.2 0.125 80.9 110.5-121.1 20.4 -1.0 -5.1 1.2 22 29 A L H <> S+ 0 0 6 -3,-1.0 4,-3.0 -4,-0.3 5,-0.2 0.840 72.2 58.1 -64.5 -36.4 1.6 -3.2 3.2 23 30 A N H > S+ 0 0 124 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.922 110.5 41.6 -62.2 -44.9 -0.3 0.1 3.3 24 31 A K H > S+ 0 0 147 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 114.5 53.6 -68.4 -39.2 -3.3 -1.4 5.0 25 32 A F H X S+ 0 0 21 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.952 111.7 43.7 -57.1 -54.9 -1.0 -3.4 7.3 26 33 A I H X S+ 0 0 5 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.887 110.2 56.6 -58.7 -43.0 0.9 -0.3 8.3 27 34 A E H X S+ 0 0 102 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.897 110.7 44.0 -57.8 -41.9 -2.3 1.6 8.8 28 35 A E H X S+ 0 0 74 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.902 110.9 52.6 -71.4 -42.4 -3.6 -1.0 11.2 29 36 A L H <>S+ 0 0 2 -4,-2.4 5,-2.7 1,-0.2 4,-0.4 0.919 108.5 52.7 -59.1 -43.3 -0.3 -1.3 13.2 30 37 A K H ><5S+ 0 0 94 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.871 106.4 52.2 -60.5 -38.5 -0.4 2.5 13.6 31 38 A K H 3<5S+ 0 0 106 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.834 109.9 48.7 -68.8 -28.6 -3.9 2.4 15.0 32 39 A Y T 3<5S- 0 0 39 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.467 115.8-121.2 -85.8 -2.8 -2.7 -0.2 17.5 33 40 A G T < 5 + 0 0 25 -3,-0.9 57,-1.8 -4,-0.4 2,-0.3 0.786 52.3 164.9 68.5 29.4 0.2 2.1 18.3 34 41 A V E < +c 90 0A 4 -5,-2.7 -1,-0.2 55,-0.2 57,-0.2 -0.614 19.8 172.3 -82.2 136.8 2.8 -0.5 17.4 35 42 A T E + 0 0 32 55,-1.5 21,-2.1 -2,-0.3 2,-0.3 0.316 65.4 48.0-120.7 3.4 6.3 0.8 16.8 36 43 A T E -cd 91 56A 2 54,-0.8 56,-3.0 19,-0.2 2,-0.4 -0.992 56.9-165.4-149.6 139.1 8.0 -2.6 16.5 37 44 A I E -cd 92 57A 0 19,-2.8 21,-2.8 -2,-0.3 2,-0.5 -0.970 6.3-161.3-122.1 136.5 7.5 -5.8 14.6 38 45 A V E -cd 93 58A 0 54,-1.9 56,-1.7 -2,-0.4 2,-0.7 -0.981 5.0-160.5-119.5 118.1 9.3 -9.0 15.4 39 46 A R E +cd 94 59A 11 19,-3.3 21,-1.9 -2,-0.5 56,-0.2 -0.891 12.6 176.7-100.1 113.0 9.3 -11.6 12.6 40 47 A V + 0 0 0 54,-1.8 22,-2.1 -2,-0.7 2,-0.2 0.386 65.3 39.2 -97.4 3.3 10.0 -15.0 14.0 41 48 A a S S- 0 0 12 53,-0.5 19,-0.1 1,-0.3 -2,-0.1 -0.494 111.2 -23.8-130.8-160.0 9.6 -16.9 10.8 42 49 A E - 0 0 140 -2,-0.2 2,-0.8 1,-0.1 -1,-0.3 -0.210 59.3-127.8 -55.0 139.5 10.5 -16.4 7.1 43 50 A A + 0 0 52 1,-0.1 -1,-0.1 -3,-0.1 53,-0.1 -0.828 40.2 161.8 -90.2 113.2 10.9 -12.8 6.0 44 51 A T + 0 0 62 -2,-0.8 2,-0.3 -27,-0.1 -25,-0.3 0.378 48.1 54.6-117.6 4.0 8.7 -12.4 3.0 45 52 A Y S S- 0 0 10 -27,-0.1 2,-0.1 -26,-0.1 -1,-0.1 -0.983 81.5-101.6-141.0 152.6 8.1 -8.7 2.5 46 53 A D - 0 0 80 -2,-0.3 4,-0.3 1,-0.1 3,-0.1 -0.447 23.4-160.1 -70.0 141.2 10.2 -5.5 2.1 47 54 A T > + 0 0 36 -2,-0.1 4,-3.1 1,-0.1 5,-0.3 0.398 63.8 98.9-105.0 2.2 10.5 -3.3 5.2 48 55 A T H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.924 88.4 44.4 -55.7 -48.7 11.5 0.0 3.8 49 56 A L H > S+ 0 0 80 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.902 114.9 49.6 -62.9 -41.3 8.0 1.5 3.9 50 57 A V H >4>S+ 0 0 0 -4,-0.3 5,-1.8 1,-0.2 3,-1.1 0.953 111.7 47.2 -62.9 -50.8 7.4 0.1 7.4 51 58 A E H ><5S+ 0 0 72 -4,-3.1 3,-1.7 1,-0.3 -1,-0.2 0.867 107.6 57.1 -59.5 -38.5 10.7 1.5 8.7 52 59 A K H 3<5S+ 0 0 180 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.709 100.4 58.7 -68.3 -17.9 9.9 4.9 7.2 53 60 A E T <<5S- 0 0 93 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.296 127.6 -97.7 -91.9 9.4 6.7 5.1 9.1 54 61 A G T < 5S+ 0 0 54 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.685 86.7 127.5 84.1 18.8 8.6 4.8 12.4 55 62 A I < - 0 0 2 -5,-1.8 2,-0.3 -6,-0.2 -19,-0.2 -0.916 48.3-149.8-114.6 108.0 8.0 1.1 12.7 56 63 A H E -d 36 0A 93 -21,-2.1 -19,-2.8 -2,-0.6 2,-0.5 -0.567 7.9-149.9 -78.8 133.1 11.2 -0.9 13.3 57 64 A V E -d 37 0A 13 -2,-0.3 2,-0.4 -21,-0.2 -19,-0.2 -0.886 8.9-166.2-108.1 132.8 11.3 -4.5 12.0 58 65 A L E -d 38 0A 30 -21,-2.8 -19,-3.3 -2,-0.5 2,-0.8 -0.964 9.4-152.2-120.3 129.9 13.3 -7.2 13.7 59 66 A D E +d 39 0A 79 -2,-0.4 -19,-0.2 -21,-0.2 -21,-0.1 -0.850 30.2 153.1-105.9 100.4 14.1 -10.6 12.1 60 67 A W - 0 0 39 -21,-1.9 -1,-0.1 -2,-0.8 -2,-0.0 -0.618 23.3-172.7-123.4 68.7 14.6 -13.2 14.8 61 68 A P 0 0 80 0, 0.0 -20,-0.2 0, 0.0 -21,-0.1 -0.331 360.0 360.0 -65.2 142.9 13.6 -16.5 13.0 62 69 A F 0 0 45 -22,-2.1 3,-0.2 5,-0.1 39,-0.0 -0.445 360.0 360.0-158.0 360.0 13.4 -19.7 15.0 63 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 64 72 A G 0 0 38 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-129.5 9.6 -26.8 16.5 65 73 A A - 0 0 70 -3,-0.2 3,-0.1 1,-0.1 -3,-0.0 -0.288 360.0-123.4 -53.2 122.3 13.1 -25.5 17.3 66 74 A P - 0 0 75 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.254 37.2 -84.2 -66.1 156.2 12.8 -23.4 20.5 67 75 A P - 0 0 9 0, 0.0 -5,-0.1 0, 0.0 -27,-0.0 -0.398 52.3-111.5 -62.1 137.6 13.9 -19.7 20.5 68 76 A S > - 0 0 59 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.260 25.4-109.0 -66.2 158.7 17.7 -19.5 21.0 69 77 A N H > S+ 0 0 138 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.841 120.8 55.7 -58.3 -32.9 18.9 -18.0 24.2 70 78 A Q H > S+ 0 0 120 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.924 107.1 47.8 -65.9 -45.6 20.1 -15.0 22.2 71 79 A I H > S+ 0 0 17 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.930 112.4 49.6 -61.7 -45.1 16.7 -14.4 20.8 72 80 A V H X S+ 0 0 8 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.942 112.4 47.5 -59.8 -47.3 15.0 -14.7 24.2 73 81 A D H X S+ 0 0 59 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.921 113.8 47.1 -60.7 -43.9 17.5 -12.3 25.7 74 82 A D H X S+ 0 0 61 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.900 112.6 50.6 -64.5 -39.1 17.0 -9.8 22.9 75 83 A W H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.950 111.1 46.5 -62.7 -50.5 13.3 -10.2 23.2 76 84 A L H X S+ 0 0 18 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.836 111.8 52.5 -63.0 -31.5 13.3 -9.5 26.9 77 85 A S H X S+ 0 0 73 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.871 110.4 48.2 -70.5 -37.0 15.5 -6.6 26.4 78 86 A L H X S+ 0 0 18 -4,-2.0 4,-2.6 2,-0.2 5,-0.4 0.928 111.2 49.4 -67.7 -46.6 13.1 -5.2 23.8 79 87 A V H X S+ 0 0 5 -4,-2.8 4,-1.3 1,-0.2 5,-0.2 0.932 111.4 50.9 -59.1 -45.2 10.1 -5.7 26.1 80 88 A K H < S+ 0 0 117 -4,-2.1 4,-0.4 -5,-0.2 -2,-0.2 0.958 118.5 34.0 -57.4 -56.5 11.9 -3.9 28.9 81 89 A I H >X S+ 0 0 84 -4,-2.1 4,-3.2 2,-0.2 3,-0.6 0.901 114.2 53.3 -71.7 -44.8 12.9 -0.8 27.0 82 90 A K H 3X S+ 0 0 27 -4,-2.6 4,-2.6 1,-0.2 7,-0.2 0.943 109.0 46.4 -58.9 -52.1 10.0 -0.3 24.5 83 91 A F H 3< S+ 0 0 0 -4,-1.3 5,-0.3 -5,-0.4 -1,-0.2 0.656 119.4 44.6 -67.6 -12.4 7.2 -0.3 27.0 84 92 A R H <4 S+ 0 0 110 -3,-0.6 -2,-0.2 -4,-0.4 -1,-0.2 0.886 118.0 38.0 -94.6 -52.5 9.2 2.1 29.2 85 93 A E H < S+ 0 0 106 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.778 128.1 37.3 -70.9 -26.4 10.6 4.6 26.7 86 94 A E S >< S- 0 0 53 -4,-2.6 3,-1.9 -5,-0.4 -1,-0.3 -0.621 86.4-154.2-127.0 74.8 7.3 4.5 24.8 87 95 A P T 3 S+ 0 0 32 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.174 77.9 13.4 -51.7 130.7 4.4 4.3 27.3 88 96 A G T 3 S+ 0 0 1 -80,-0.3 -5,-0.1 -5,-0.3 -79,-0.1 0.544 94.9 136.6 81.9 8.2 1.3 2.7 25.9 89 97 A C < - 0 0 7 -3,-1.9 2,-0.4 -7,-0.2 -55,-0.2 -0.219 44.9-131.8 -81.7 175.6 2.9 1.3 22.8 90 98 A C E - c 0 34A 0 -57,-1.8 -55,-1.5 -61,-0.1 -54,-0.8 -0.974 2.9-147.5-132.3 143.7 2.5 -2.1 21.2 91 99 A I E -bc 11 36A 0 -81,-2.1 -79,-2.5 -2,-0.4 2,-0.3 -0.948 18.7-151.8-109.7 126.1 4.9 -4.7 19.9 92 100 A A E -bc 12 37A 0 -56,-3.0 -54,-1.9 -2,-0.5 2,-0.3 -0.728 12.6-175.3 -97.9 150.0 3.6 -6.8 17.0 93 101 A V E +bc 13 38A 0 -81,-2.5 -79,-2.0 -2,-0.3 2,-0.3 -0.997 8.1 164.7-143.3 137.9 4.8 -10.4 16.3 94 102 A H E - c 0 39A 0 -56,-1.7 -54,-1.8 -2,-0.3 -53,-0.5 -0.989 20.1-162.0-153.1 159.3 4.0 -12.6 13.4 95 103 A a - 0 0 4 3,-0.5 -54,-0.3 -81,-0.5 5,-0.1 0.334 42.9 -94.1-108.6-120.5 5.1 -15.8 11.7 96 104 A V S S+ 0 0 61 2,-0.2 2,-0.3 -56,-0.1 -80,-0.1 0.588 101.2 31.5-137.7 -33.8 4.1 -16.8 8.1 97 105 A A S S- 0 0 88 1,-0.2 3,-0.3 -82,-0.1 2,-0.1 -0.746 121.1 -41.2-135.5 87.7 1.0 -19.0 7.9 98 106 A G S S- 0 0 32 -2,-0.3 -3,-0.5 1,-0.2 -1,-0.2 -0.405 104.5 -39.2 87.8-170.5 -1.5 -18.3 10.7 99 107 A L S > S+ 0 0 35 1,-0.2 3,-2.0 -2,-0.1 -1,-0.2 0.930 85.6 155.3 -55.3 -47.6 -0.5 -17.7 14.3 100 108 A G T 3 S- 0 0 36 -3,-0.3 32,-0.4 1,-0.3 -1,-0.2 -0.317 72.8 -22.6 59.0-130.0 2.2 -20.3 14.1 101 109 A R T >> S+ 0 0 73 1,-0.2 3,-1.3 -3,-0.1 4,-0.6 0.342 110.2 103.5 -95.4 5.4 5.0 -19.8 16.6 102 110 A A H X> S+ 0 0 0 -3,-2.0 4,-0.7 1,-0.3 3,-0.5 0.888 75.6 55.5 -55.4 -43.4 4.3 -16.1 16.9 103 111 A P H 3> S+ 0 0 1 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.663 88.6 79.6 -68.4 -12.6 2.5 -16.5 20.3 104 112 A V H <> S+ 0 0 4 -3,-1.3 4,-1.9 1,-0.2 -2,-0.2 0.943 93.7 45.1 -59.6 -50.6 5.6 -18.3 21.9 105 113 A L H S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 4,-0.4 0.880 110.6 48.6 -66.3 -40.5 3.9 -13.0 30.3 111 119 A I H ><5S+ 0 0 7 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.925 111.2 50.5 -64.3 -43.5 5.9 -15.6 32.3 112 120 A E H 3<5S+ 0 0 3 -4,-2.5 37,-0.2 1,-0.3 -1,-0.2 0.794 104.5 61.0 -63.4 -27.7 8.6 -12.9 32.8 113 121 A G T 3<5S- 0 0 5 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.599 134.6 -83.4 -76.1 -11.8 5.8 -10.7 33.9 114 122 A G T < 5S+ 0 0 43 -3,-1.7 -3,-0.2 -4,-0.4 2,-0.2 0.296 89.5 122.5 128.3 -10.0 4.9 -13.0 36.8 115 123 A X < - 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