==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 23-MAY-08 3D8H . COMPND 2 MOLECULE: GLYCOLYTIC PHOSPHOGLYCERATE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOSPORIDIUM PARVUM; . AUTHOR A.K.WERNIMONT,J.LEW,G.WASNEY,Z.ALAM,I.KOZIERADZKI,D.COSSAR, . 464 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20648.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 303 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 6.9 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.2 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 . 19 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.0 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 2 2 2 1 0 2 0 0 2 1 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 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 . 3 0 0 0 4 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 0 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 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 20 A T 0 0 125 0, 0.0 2,-0.3 0, 0.0 216,-0.2 0.000 360.0 360.0 360.0 -36.7 49.7 -18.6 -28.4 2 21 A Y E -A 216 0A 64 214,-1.7 214,-2.7 2,-0.0 2,-0.4 -0.871 360.0-151.2-121.5 158.0 46.2 -18.1 -27.1 3 22 A K E +A 215 0A 112 -2,-0.3 174,-0.6 212,-0.2 2,-0.4 -0.960 12.6 179.2-135.9 117.1 44.7 -18.1 -23.6 4 23 A L E -Ab 214 177A 0 210,-2.9 210,-3.3 -2,-0.4 2,-0.5 -0.961 11.9-155.6-121.0 129.8 41.1 -19.0 -22.6 5 24 A T E -Ab 213 178A 2 172,-2.0 174,-2.7 -2,-0.4 2,-0.4 -0.881 10.1-169.8-107.3 130.6 39.7 -19.1 -19.1 6 25 A L E +Ab 212 179A 0 206,-3.0 206,-2.8 -2,-0.5 2,-0.3 -0.911 5.4 178.9-116.0 146.6 36.7 -21.2 -18.1 7 26 A I E - b 0 180A 0 172,-2.5 174,-2.5 -2,-0.4 2,-0.3 -0.971 14.5-155.3-147.5 134.9 34.7 -21.2 -14.9 8 27 A R E - b 0 181A 62 199,-0.4 201,-2.3 -2,-0.3 202,-0.2 -0.825 34.5-104.1-101.0 146.2 31.7 -23.2 -13.7 9 28 A H - 0 0 9 172,-1.4 200,-0.3 -2,-0.3 3,-0.1 -0.191 33.3-109.5 -67.7 159.3 29.3 -21.7 -11.0 10 29 A G - 0 0 0 22,-0.5 22,-0.2 198,-0.2 -1,-0.1 -0.004 63.2 -42.3 -73.2-170.3 29.3 -22.7 -7.4 11 30 A E - 0 0 52 17,-0.1 18,-2.4 197,-0.1 21,-0.4 -0.198 57.7-146.4 -64.6 144.9 26.5 -24.7 -5.7 12 31 A S B >> -F 28 0B 0 16,-0.3 3,-0.9 -3,-0.1 4,-0.9 -0.523 33.5 -96.1-101.2 173.3 22.9 -23.8 -6.5 13 32 A E T 34 S+ 0 0 71 14,-2.5 4,-0.4 1,-0.2 15,-0.1 0.593 126.3 48.2 -65.4 -11.5 19.8 -24.0 -4.3 14 33 A W T 34>S+ 0 0 42 13,-0.3 5,-2.8 2,-0.2 -1,-0.2 0.522 92.9 73.2-106.8 -12.2 19.1 -27.4 -5.8 15 34 A N T X45S+ 0 0 74 -3,-0.9 3,-0.8 3,-0.2 -2,-0.2 0.899 103.3 42.9 -65.7 -42.8 22.6 -29.0 -5.4 16 35 A K T 3<5S+ 0 0 128 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.889 110.4 56.5 -65.9 -40.5 22.0 -29.3 -1.7 17 36 A E T 3 5S- 0 0 92 -4,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.464 110.2-125.9 -71.5 -2.6 18.5 -30.5 -2.4 18 37 A N T < 5 + 0 0 100 -3,-0.8 80,-1.3 1,-0.2 2,-0.4 0.835 58.8 151.7 58.0 38.6 20.0 -33.3 -4.5 19 38 A R B < -G 97 0C 30 -5,-2.8 2,-0.3 78,-0.2 -1,-0.2 -0.812 53.0-116.4-106.8 138.2 17.8 -32.2 -7.4 20 39 A F + 0 0 40 76,-1.9 75,-2.7 73,-0.4 76,-0.3 -0.562 38.0 173.1 -66.7 125.2 18.3 -32.5 -11.2 21 40 A T > + 0 0 13 -2,-0.3 3,-1.9 73,-0.2 2,-0.3 0.882 13.6 148.3-101.4 -65.2 18.5 -29.0 -12.5 22 41 A G T 3 S- 0 0 1 1,-0.3 65,-0.3 67,-0.1 67,-0.2 -0.454 86.2 -8.1 59.7-121.8 19.4 -28.8 -16.2 23 42 A W T 3 S+ 0 0 1 -2,-0.3 -1,-0.3 63,-0.1 66,-0.1 0.514 99.1 123.5 -86.9 -5.7 17.7 -25.8 -17.8 24 43 A T < - 0 0 36 -3,-1.9 2,-1.6 1,-0.1 71,-0.0 -0.373 69.2-128.0 -53.8 131.0 15.6 -25.1 -14.8 25 44 A D + 0 0 30 34,-0.1 2,-0.2 33,-0.1 -1,-0.1 -0.570 46.9 163.9 -92.7 75.2 16.5 -21.5 -14.0 26 45 A V - 0 0 5 -2,-1.6 34,-0.5 1,-0.1 2,-0.1 -0.494 34.3-107.4 -97.6 157.0 17.4 -22.0 -10.3 27 46 A S - 0 0 45 -2,-0.2 -14,-2.5 1,-0.1 -13,-0.3 -0.402 29.4-104.9 -80.6 156.9 19.3 -19.6 -8.0 28 47 A L B -F 12 0B 20 -16,-0.3 -16,-0.3 -15,-0.1 2,-0.1 -0.485 40.3-118.6 -62.3 150.3 22.8 -19.9 -6.7 29 48 A S > - 0 0 7 -18,-2.4 4,-2.0 -2,-0.1 5,-0.2 -0.400 29.6-100.3 -81.1 170.4 22.9 -20.8 -3.0 30 49 A E H > S+ 0 0 182 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.885 129.6 49.7 -56.7 -40.9 24.5 -18.5 -0.4 31 50 A Q H > S+ 0 0 97 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.860 105.6 57.2 -66.5 -36.1 27.6 -20.7 -0.6 32 51 A G H > S+ 0 0 0 -21,-0.4 4,-1.9 2,-0.2 -22,-0.5 0.875 106.7 49.1 -61.0 -41.1 27.5 -20.5 -4.4 33 52 A V H X S+ 0 0 53 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.918 110.7 49.5 -60.8 -46.5 27.7 -16.7 -4.2 34 53 A S H X S+ 0 0 44 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.854 108.3 54.0 -65.1 -35.3 30.7 -16.9 -1.7 35 54 A E H X S+ 0 0 43 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.914 107.8 50.2 -62.6 -44.5 32.4 -19.3 -4.0 36 55 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.876 108.1 54.0 -57.6 -40.5 32.1 -16.8 -6.9 37 56 A I H X S+ 0 0 44 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.893 110.6 45.3 -64.1 -40.8 33.5 -14.1 -4.6 38 57 A E H X S+ 0 0 105 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.899 110.9 52.8 -71.9 -38.6 36.6 -16.2 -3.9 39 58 A A H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.941 109.7 50.2 -57.6 -47.9 37.0 -17.1 -7.6 40 59 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.924 112.2 46.2 -53.6 -49.7 36.9 -13.4 -8.4 41 60 A R H X S+ 0 0 124 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.859 110.1 53.6 -64.6 -38.2 39.6 -12.6 -5.8 42 61 A M H X S+ 0 0 54 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.915 111.3 46.6 -60.6 -44.2 41.7 -15.5 -7.0 43 62 A L H <>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 -2,-0.2 0.878 111.0 52.1 -66.5 -39.7 41.6 -14.1 -10.5 44 63 A L H ><5S+ 0 0 97 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.941 109.5 49.3 -59.4 -49.5 42.4 -10.6 -9.2 45 64 A E H 3<5S+ 0 0 153 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.852 108.9 53.4 -57.1 -38.2 45.5 -11.9 -7.4 46 65 A K T 3<5S- 0 0 113 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.316 118.5-112.3 -85.8 7.8 46.6 -13.7 -10.5 47 66 A G T < 5 + 0 0 66 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.778 57.6 161.8 74.3 31.2 46.4 -10.5 -12.5 48 67 A F < + 0 0 32 -5,-2.3 2,-0.3 2,-0.0 -1,-0.2 -0.621 13.9 173.3 -86.9 140.5 43.5 -11.4 -14.8 49 68 A K - 0 0 92 -2,-0.3 2,-0.3 128,-0.0 127,-0.0 -0.951 17.6-148.1-145.3 128.7 41.4 -8.8 -16.8 50 69 A F - 0 0 5 -2,-0.3 127,-0.2 1,-0.1 3,-0.1 -0.710 18.1-165.6-104.9 148.7 38.8 -9.8 -19.3 51 70 A D S S+ 0 0 47 125,-2.9 2,-0.3 1,-0.4 126,-0.2 0.641 83.4 5.5 -98.6 -24.6 37.7 -8.0 -22.5 52 71 A V E -c 177 0A 7 124,-1.5 126,-1.8 25,-0.1 2,-0.4 -0.974 61.2-151.1-155.7 146.8 34.5 -10.1 -22.8 53 72 A V E -cd 178 79A 0 25,-2.2 27,-2.9 -2,-0.3 2,-0.5 -0.995 9.1-156.2-119.4 133.0 32.7 -12.8 -20.9 54 73 A Y E +cd 179 80A 8 124,-2.7 126,-2.8 -2,-0.4 2,-0.2 -0.928 27.1 157.4-103.2 129.4 30.5 -15.5 -22.5 55 74 A T E -cd 180 81A 0 25,-2.7 27,-1.6 -2,-0.5 30,-0.2 -0.792 36.7-100.1-139.5-179.9 27.9 -17.0 -20.3 56 75 A S - 0 0 0 124,-0.7 27,-0.2 25,-0.3 -1,-0.1 -0.152 34.7-107.3 -90.5-171.8 24.5 -18.8 -20.6 57 76 A V S S+ 0 0 20 25,-0.2 2,-0.6 24,-0.2 26,-0.1 0.251 86.7 108.5 -99.1 9.9 20.9 -17.5 -20.1 58 77 A L S >> S- 0 0 1 24,-0.2 4,-1.8 1,-0.1 3,-1.7 -0.791 71.0-137.2 -94.0 123.2 20.7 -19.2 -16.8 59 78 A K H 3> S+ 0 0 53 -2,-0.6 4,-3.2 1,-0.3 5,-0.3 0.740 98.0 64.1 -53.3 -30.6 20.7 -16.8 -13.9 60 79 A R H 3> S+ 0 0 4 -34,-0.5 4,-1.2 1,-0.2 -1,-0.3 0.830 109.5 39.5 -65.1 -32.8 23.1 -18.9 -11.7 61 80 A A H <> S+ 0 0 0 -3,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.838 115.4 51.7 -81.3 -37.5 25.9 -18.5 -14.2 62 81 A I H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.931 111.1 47.5 -64.4 -45.8 25.0 -14.9 -15.0 63 82 A M H X S+ 0 0 31 -4,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.907 110.0 53.7 -61.4 -41.1 25.1 -14.0 -11.2 64 83 A T H X S+ 0 0 0 -4,-1.2 4,-2.6 -5,-0.3 -1,-0.2 0.921 110.3 48.1 -54.4 -45.8 28.4 -15.9 -10.9 65 84 A T H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.932 111.0 48.3 -62.0 -50.0 29.8 -13.7 -13.7 66 85 A W H X S+ 0 0 12 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.874 113.3 49.3 -58.5 -39.9 28.5 -10.5 -12.2 67 86 A T H X S+ 0 0 18 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.910 111.4 47.6 -68.5 -44.7 30.1 -11.5 -8.8 68 87 A V H X S+ 0 0 1 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.904 111.8 50.8 -61.7 -44.9 33.4 -12.4 -10.3 69 88 A L H X>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 4,-0.5 0.879 107.1 53.7 -63.8 -40.6 33.6 -9.1 -12.3 70 89 A K H ><5S+ 0 0 126 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.950 110.7 46.5 -54.5 -49.7 32.8 -7.1 -9.2 71 90 A E H 3<5S+ 0 0 38 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.794 111.9 51.6 -66.8 -29.5 35.7 -8.7 -7.4 72 91 A L H 3<5S- 0 0 9 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.543 108.2-126.2 -77.8 -8.3 37.9 -8.1 -10.4 73 92 A G T <<5S+ 0 0 50 -3,-1.5 -3,-0.2 -4,-0.5 -2,-0.1 0.933 82.7 113.1 55.9 48.4 37.0 -4.4 -10.5 74 93 A N > < + 0 0 8 -5,-2.6 3,-2.0 -6,-0.1 -4,-0.2 -0.203 18.4 134.6-143.5 33.6 36.0 -5.1 -14.1 75 94 A I T 3 + 0 0 11 1,-0.3 -5,-0.1 -6,-0.3 -6,-0.1 0.697 67.0 70.2 -69.1 -14.2 32.2 -4.7 -14.0 76 95 A N T 3 S+ 0 0 12 -7,-0.1 -1,-0.3 -3,-0.1 239,-0.1 0.586 73.7 119.2 -71.7 -12.0 32.5 -2.6 -17.3 77 96 A C S < S- 0 0 3 -3,-2.0 -25,-0.1 1,-0.1 -26,-0.1 -0.361 73.6-113.3 -61.2 125.5 33.4 -5.9 -19.0 78 97 A P - 0 0 65 0, 0.0 -25,-2.2 0, 0.0 2,-0.5 -0.352 31.1-157.2 -58.1 135.2 30.9 -6.7 -21.8 79 98 A I E -d 53 0A 23 234,-0.4 2,-0.5 -27,-0.2 234,-0.4 -0.975 7.5-166.6-119.9 130.7 28.9 -9.8 -21.1 80 99 A I E -d 54 0A 70 -27,-2.9 -25,-2.7 -2,-0.5 2,-0.3 -0.971 6.7-161.6-117.8 118.7 27.2 -11.9 -23.8 81 100 A N E +d 55 0A 32 -2,-0.5 2,-0.3 -27,-0.2 -25,-0.3 -0.749 14.9 168.9 -93.6 144.7 24.6 -14.5 -22.7 82 101 A H > - 0 0 57 -27,-1.6 3,-2.0 -2,-0.3 -25,-0.2 -0.947 40.4-132.6-158.3 137.4 23.5 -17.4 -25.0 83 102 A W G > S+ 0 0 18 -2,-0.3 3,-2.2 1,-0.3 -27,-0.1 0.733 100.4 76.0 -58.0 -26.4 21.5 -20.6 -24.5 84 103 A R G 3 S+ 0 0 63 1,-0.3 -1,-0.3 -29,-0.1 78,-0.1 0.675 94.0 52.1 -63.7 -14.6 24.2 -22.6 -26.3 85 104 A L G < S+ 0 0 0 -3,-2.0 97,-0.5 -30,-0.2 -1,-0.3 0.351 86.5 124.9 -99.2 3.8 26.2 -22.3 -23.1 86 105 A N S < S- 0 0 0 -3,-2.2 3,-0.1 -31,-0.1 -63,-0.1 -0.253 72.9 -94.4 -57.9 147.2 23.3 -23.7 -21.0 87 106 A E - 0 0 19 -65,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.221 60.3 -77.6 -50.4 150.5 23.8 -26.7 -18.8 88 107 A R - 0 0 6 1,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.311 52.4-112.6 -52.8 135.7 22.7 -30.0 -20.5 89 108 A H - 0 0 0 -67,-0.2 61,-0.7 62,-0.2 -67,-0.1 -0.537 23.2-161.0 -75.3 140.5 18.9 -30.4 -20.5 90 109 A Y > - 0 0 31 1,-0.3 3,-1.8 -69,-0.2 4,-0.1 0.286 17.7-155.7-111.0 9.7 17.7 -33.2 -18.3 91 110 A G G > S- 0 0 0 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 -0.242 72.2 -2.2 57.0-132.1 14.2 -33.8 -19.7 92 111 A A G 3 S+ 0 0 9 30,-2.2 -1,-0.3 1,-0.3 31,-0.1 0.633 124.8 72.0 -67.4 -15.8 11.7 -35.4 -17.4 93 112 A L G X S+ 0 0 0 -3,-1.8 3,-1.7 29,-0.2 -73,-0.4 0.713 72.4 114.1 -71.2 -21.2 14.4 -35.7 -14.6 94 113 A Q T < S+ 0 0 3 -3,-1.5 -73,-0.2 1,-0.2 3,-0.1 -0.282 81.0 11.8 -59.6 128.5 14.2 -31.9 -14.1 95 114 A G T 3 S+ 0 0 24 -75,-2.7 2,-0.3 1,-0.3 -1,-0.2 0.430 102.4 119.0 88.4 1.8 12.9 -30.8 -10.7 96 115 A L < - 0 0 40 -3,-1.7 -76,-1.9 -76,-0.3 -1,-0.3 -0.767 62.5-117.0-108.8 144.6 13.0 -34.3 -9.2 97 116 A N B > -G 19 0C 55 -2,-0.3 4,-2.8 -78,-0.2 5,-0.3 -0.363 29.0-114.6 -64.3 152.0 14.9 -35.7 -6.2 98 117 A K H > S+ 0 0 98 -80,-1.3 4,-0.9 1,-0.2 -1,-0.1 0.843 126.9 45.2 -48.9 -36.0 17.5 -38.5 -6.6 99 118 A S H > S+ 0 0 77 2,-0.2 4,-0.9 1,-0.1 -1,-0.2 0.818 109.6 52.3 -78.2 -36.2 14.8 -40.3 -4.6 100 119 A E H > S+ 0 0 94 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.798 109.7 49.0 -73.9 -30.2 11.8 -39.1 -6.7 101 120 A T H X S+ 0 0 2 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.818 107.2 56.2 -74.2 -34.5 13.5 -40.2 -9.9 102 121 A A H < S+ 0 0 26 -4,-0.9 5,-0.5 -5,-0.3 -2,-0.2 0.760 112.1 44.6 -64.7 -27.1 14.2 -43.6 -8.4 103 122 A S H < S+ 0 0 109 -4,-0.9 -2,-0.2 3,-0.1 -1,-0.2 0.933 120.5 33.9 -83.7 -54.0 10.4 -43.9 -7.6 104 123 A K H < S+ 0 0 75 -4,-2.0 2,-0.2 2,-0.1 -3,-0.2 0.853 129.2 25.9 -72.3 -38.7 8.8 -42.7 -10.9 105 124 A F S < S- 0 0 58 -4,-2.0 2,-0.3 -5,-0.2 5,-0.0 -0.645 106.5 -67.3-118.0 174.6 11.6 -44.2 -13.2 106 125 A G > - 0 0 31 -2,-0.2 4,-1.7 1,-0.2 5,-0.2 -0.499 36.6-142.9 -65.9 126.2 14.1 -47.0 -12.9 107 126 A E H > S+ 0 0 119 -5,-0.5 4,-0.8 -2,-0.3 -1,-0.2 0.829 103.1 43.5 -57.9 -33.3 16.7 -46.2 -10.2 108 127 A D H > S+ 0 0 121 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.847 111.0 51.6 -81.3 -38.6 19.3 -47.8 -12.4 109 128 A Q H > S+ 0 0 90 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.678 104.2 58.6 -76.3 -18.7 18.3 -46.3 -15.8 110 129 A V H X S+ 0 0 11 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.892 104.7 51.0 -67.5 -42.4 18.3 -42.8 -14.2 111 130 A K H X S+ 0 0 124 -4,-0.8 4,-1.4 1,-0.2 -2,-0.2 0.738 106.7 55.3 -68.0 -24.3 22.0 -43.5 -13.4 112 131 A I H X S+ 0 0 86 -4,-0.9 4,-1.0 2,-0.2 -1,-0.2 0.924 104.6 52.9 -66.9 -46.8 22.4 -44.5 -17.1 113 132 A W H < S+ 0 0 22 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.690 114.9 40.8 -64.4 -22.2 21.0 -41.1 -18.1 114 133 A R H < S+ 0 0 43 -4,-1.0 -1,-0.2 1,-0.1 -2,-0.2 0.764 119.6 42.0 -94.2 -30.8 23.5 -39.2 -16.0 115 134 A R H < S+ 0 0 121 -4,-1.4 2,-0.3 -5,-0.2 -2,-0.2 0.349 99.1 91.5-101.1 3.9 26.6 -41.4 -16.7 116 135 A S < - 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