==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 19-JAN-11 2Y63 . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MEXICANA; . AUTHOR R.VENKATESAN,M.ALAHUHTA,P.M.PIHKO,R.K.WIERENGA . 249 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11142.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 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 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 2 4 1 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 3 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 2 A A 0 0 150 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.2 34.7 4.4 16.0 2 3 A K - 0 0 68 1,-0.1 202,-0.1 225,-0.1 204,-0.1 -0.282 360.0-115.9 -61.3 145.3 31.0 3.7 15.3 3 4 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 201,-0.1 -0.230 58.1 -57.9 -69.8 172.5 29.5 4.9 12.0 4 5 A Q - 0 0 62 200,-0.1 32,-0.1 1,-0.1 224,-0.0 -0.312 64.6-124.3 -52.7 123.8 26.7 7.6 12.1 5 6 A P - 0 0 9 0, 0.0 32,-2.6 0, 0.0 2,-0.4 -0.270 18.2-146.3 -69.5 159.0 23.8 6.3 14.1 6 7 A I E -ab 37 229A 0 222,-1.9 224,-1.8 30,-0.2 2,-0.5 -0.991 11.0-168.1-125.9 135.9 20.2 6.0 12.8 7 8 A A E -ab 38 230A 0 30,-2.1 32,-2.3 -2,-0.4 2,-0.5 -0.954 21.2-171.4-120.3 106.3 17.0 6.5 14.8 8 9 A A E -ab 39 231A 0 222,-3.0 224,-3.2 -2,-0.5 2,-0.7 -0.880 14.8-152.3-111.6 129.2 14.2 5.2 12.6 9 10 A A E -ab 40 232A 0 30,-3.6 32,-2.9 -2,-0.5 2,-0.9 -0.873 6.3-170.9-100.1 109.9 10.5 5.6 13.2 10 11 A N E -a 41 0A 5 222,-3.0 226,-0.2 -2,-0.7 227,-0.1 -0.867 3.9-178.2 -96.0 100.7 8.2 2.9 11.7 11 12 A W - 0 0 2 30,-1.8 -1,-0.1 -2,-0.9 32,-0.1 0.615 19.8-166.1 -73.5 -12.5 4.8 4.4 12.3 12 13 A K - 0 0 48 29,-0.4 2,-1.7 1,-0.2 -1,-0.2 -0.185 59.8 -21.7 53.4-148.8 3.2 1.3 10.7 13 14 A C S S+ 0 0 115 29,-0.1 2,-0.3 30,-0.1 -1,-0.2 -0.499 109.9 111.1 -92.8 70.0 -0.5 1.7 9.9 14 15 A N + 0 0 77 -2,-1.7 29,-0.4 -3,-0.1 2,-0.1 -0.997 33.6 67.3-145.0 143.5 -1.2 4.5 12.3 15 16 A G - 0 0 36 -2,-0.3 2,-0.3 27,-0.1 3,-0.0 -0.325 40.0-136.6 132.3 152.4 -2.1 8.2 12.4 16 17 A T > - 0 0 82 -2,-0.1 4,-2.6 1,-0.1 5,-0.3 -0.855 39.7-107.4-122.6 166.2 -4.5 11.0 11.7 17 18 A T H > S+ 0 0 88 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.916 122.7 49.1 -60.4 -38.8 -3.7 14.4 10.1 18 19 A A H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.922 112.8 45.1 -65.1 -46.1 -4.2 16.0 13.5 19 20 A S H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.889 115.1 48.2 -68.0 -39.0 -2.0 13.4 15.4 20 21 A I H X S+ 0 0 4 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.905 109.5 52.0 -67.3 -43.1 0.7 13.6 12.8 21 22 A E H X S+ 0 0 87 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.936 113.9 44.9 -59.5 -43.8 0.7 17.4 12.8 22 23 A K H X S+ 0 0 151 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.923 115.6 45.3 -62.6 -48.8 1.1 17.4 16.6 23 24 A L H X S+ 0 0 18 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.875 111.7 52.1 -67.5 -38.6 3.8 14.7 16.7 24 25 A V H X S+ 0 0 2 -4,-2.8 4,-2.9 2,-0.2 31,-0.2 0.888 107.0 53.6 -64.8 -38.7 5.8 16.3 13.8 25 26 A Q H X S+ 0 0 108 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.906 108.2 50.7 -60.0 -40.9 5.7 19.7 15.7 26 27 A V H X S+ 0 0 38 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.926 112.2 46.4 -60.1 -46.1 7.2 17.8 18.7 27 28 A F H < S+ 0 0 0 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.888 112.3 51.0 -64.6 -41.7 9.9 16.4 16.5 28 29 A N H < S+ 0 0 50 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.878 109.3 49.8 -60.5 -42.0 10.6 19.8 14.9 29 30 A E H < S+ 0 0 126 -4,-2.2 2,-0.9 -5,-0.2 -1,-0.2 0.605 88.1 94.3 -78.9 -13.1 11.0 21.5 18.3 30 31 A H S < S- 0 0 23 -4,-0.8 2,-0.6 -3,-0.4 -1,-0.0 -0.731 72.8-147.2 -81.4 105.2 13.4 18.9 19.5 31 32 A T - 0 0 126 -2,-0.9 2,-0.5 25,-0.0 -2,-0.1 -0.657 10.0-157.8 -82.2 118.3 16.8 20.4 18.8 32 33 A I + 0 0 14 -2,-0.6 4,-0.1 1,-0.1 -2,-0.0 -0.863 14.7 179.0-103.2 126.0 19.3 17.7 17.9 33 34 A S + 0 0 110 -2,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.087 54.4 70.1-119.8 21.4 23.0 18.5 18.4 34 35 A H S S- 0 0 34 2,-0.1 2,-0.8 215,-0.0 215,-0.1 -0.885 92.8 -85.5-129.3 167.8 24.9 15.4 17.5 35 36 A D + 0 0 101 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.629 69.4 134.3 -76.3 108.6 25.5 13.5 14.2 36 37 A V - 0 0 3 -2,-0.8 2,-0.8 -32,-0.1 -30,-0.2 -0.977 51.0-132.5-154.1 139.6 22.5 11.2 13.7 37 38 A Q E -a 6 0A 39 -32,-2.6 -30,-2.1 -2,-0.3 2,-0.3 -0.871 25.1-162.6 -92.8 111.1 20.2 10.3 10.8 38 39 A C E -ac 7 59A 0 20,-3.1 22,-2.0 -2,-0.8 2,-0.4 -0.738 6.7-168.0 -90.0 144.9 16.6 10.4 11.9 39 40 A V E -ac 8 60A 1 -32,-2.3 -30,-3.6 -2,-0.3 2,-0.5 -1.000 10.6-167.1-136.5 130.3 14.1 8.6 9.7 40 41 A V E -ac 9 61A 1 20,-2.1 22,-2.7 -2,-0.4 -30,-0.2 -0.988 2.2-169.5-118.0 125.8 10.3 8.8 9.8 41 42 A A E +a 10 0A 0 -32,-2.9 -30,-1.8 -2,-0.5 -29,-0.4 -0.870 14.3 175.5-114.0 95.2 8.2 6.2 7.8 42 43 A P - 0 0 0 0, 0.0 22,-0.4 0, 0.0 -30,-0.1 -0.383 44.0 -77.7 -85.9 172.4 4.5 7.2 7.7 43 44 A T >> - 0 0 24 -29,-0.4 3,-1.1 -31,-0.2 4,-0.6 -0.307 51.4-104.1 -60.5 157.2 1.8 5.3 5.7 44 45 A F G >4 S+ 0 0 72 1,-0.2 3,-1.3 2,-0.2 -1,-0.1 0.880 121.2 53.4 -50.4 -45.0 1.9 6.1 2.0 45 46 A V G 34 S+ 0 0 121 1,-0.3 4,-0.3 2,-0.1 -1,-0.2 0.711 109.1 50.4 -70.1 -19.2 -1.1 8.4 2.2 46 47 A H G <> S+ 0 0 25 -3,-1.1 4,-2.2 1,-0.1 -1,-0.3 0.466 83.1 93.6 -94.4 -6.2 0.6 10.4 5.0 47 48 A I H S+ 0 0 76 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.882 110.3 52.1 -60.9 -38.1 2.9 14.3 1.6 49 50 A L H > S+ 0 0 33 -4,-0.3 4,-1.9 2,-0.2 5,-0.2 0.942 112.7 44.9 -59.3 -48.4 1.7 15.7 4.9 50 51 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.911 111.7 53.1 -63.3 -41.8 5.0 14.7 6.6 51 52 A Q H < S+ 0 0 55 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.886 112.6 45.8 -57.6 -38.6 6.9 16.2 3.7 52 53 A A H < S+ 0 0 56 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.801 124.9 28.4 -75.1 -31.4 5.0 19.4 4.1 53 54 A K H < S+ 0 0 97 -4,-1.9 2,-0.4 -5,-0.1 -2,-0.2 0.736 93.6 91.3-105.8 -31.2 5.4 19.7 7.9 54 55 A L < + 0 0 15 -4,-2.8 -29,-0.1 -5,-0.2 7,-0.0 -0.599 37.3 153.8 -77.3 123.5 8.6 18.0 9.0 55 56 A R + 0 0 165 -2,-0.4 -1,-0.2 -31,-0.2 -30,-0.0 0.488 21.2 126.6-127.8 -11.6 11.4 20.4 9.0 56 57 A N > - 0 0 13 -32,-0.2 3,-2.0 1,-0.2 -28,-0.1 -0.346 57.6-139.3 -55.2 122.0 14.0 19.1 11.6 57 58 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.2 0, 0.0 -29,-0.0 0.631 96.9 64.2 -66.2 -13.8 17.3 19.0 9.5 58 59 A K T 3 S+ 0 0 59 -21,-0.1 -20,-3.1 2,-0.0 2,-0.3 0.498 91.4 90.1 -82.7 -4.7 18.3 15.6 11.0 59 60 A Y E < -c 38 0A 20 -3,-2.0 2,-0.3 -22,-0.2 -20,-0.2 -0.710 46.8-179.0-104.5 145.1 15.3 13.8 9.4 60 61 A V E -c 39 0A 30 -22,-2.0 -20,-2.1 -2,-0.3 2,-0.4 -0.897 28.6-120.3-124.5 161.5 14.6 12.0 6.2 61 62 A I E -c 40 0A 28 -2,-0.3 28,-0.5 25,-0.2 27,-0.5 -0.866 28.8-170.2-107.0 136.7 11.3 10.4 5.1 62 63 A S E -d 89 0A 0 -22,-2.7 28,-0.3 -2,-0.4 2,-0.2 -0.888 21.1-124.7-122.3 151.2 11.0 6.7 4.3 63 64 A A E -d 90 0A 0 26,-2.2 28,-2.2 -2,-0.3 3,-0.1 -0.626 16.8-137.5 -83.5 156.6 8.4 4.4 2.8 64 65 A Q S S- 0 0 41 -22,-0.4 2,-0.3 1,-0.2 30,-0.3 0.591 81.2 -15.6 -88.1 -14.1 7.3 1.4 4.8 65 66 A N - 0 0 7 27,-0.1 2,-0.3 28,-0.1 -1,-0.2 -0.940 64.1-176.6-173.2 167.3 7.4 -0.9 1.8 66 67 A A - 0 0 0 -2,-0.3 2,-0.3 -3,-0.1 12,-0.2 -0.944 23.7-123.8-166.8 161.4 7.4 -0.7 -2.0 67 68 A I B -i 78 0B 31 10,-2.1 12,-2.0 -2,-0.3 -2,-0.0 -0.803 29.9-121.5-105.3 159.5 7.3 -2.8 -5.2 68 69 A A S S+ 0 0 20 -2,-0.3 2,-0.4 10,-0.2 -1,-0.1 0.843 84.3 34.7 -70.4 -39.3 10.2 -2.5 -7.7 69 70 A K S S- 0 0 120 10,-0.1 -1,-0.1 9,-0.1 2,-0.0 -0.929 72.7-121.4-128.9 143.5 8.3 -1.5 -10.9 70 71 A S + 0 0 64 -2,-0.4 2,-0.3 8,-0.1 7,-0.1 -0.308 61.0 88.4 -68.9 160.3 5.3 0.6 -11.9 71 72 A G S S- 0 0 62 2,-0.1 2,-2.2 -2,-0.0 7,-0.1 -0.984 83.9 -9.5 148.0-153.0 2.4 -1.1 -13.8 72 73 A A S S+ 0 0 98 -2,-0.3 2,-0.4 1,-0.1 -2,-0.1 -0.392 81.1 125.9 -83.9 64.1 -0.9 -3.0 -13.3 73 74 A F > - 0 0 108 -2,-2.2 3,-2.1 3,-0.1 -1,-0.1 -0.710 49.8-152.1-125.3 76.8 -0.5 -3.5 -9.5 74 75 A T T 3 S+ 0 0 147 -2,-0.4 3,-0.1 1,-0.3 -2,-0.1 -0.240 78.7 13.0 -54.5 127.2 -3.7 -2.1 -7.9 75 76 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.191 104.0 110.1 94.6 -14.2 -3.1 -0.9 -4.4 76 77 A E < - 0 0 89 -3,-2.1 2,-0.4 -10,-0.0 -1,-0.3 -0.561 56.7-143.3 -99.1 158.1 0.7 -1.0 -4.5 77 78 A V - 0 0 30 -2,-0.2 -10,-2.1 -3,-0.1 2,-0.1 -0.985 20.2-145.4-121.1 126.1 3.3 1.8 -4.6 78 79 A S B > -i 67 0B 2 -2,-0.4 4,-2.0 -12,-0.2 -10,-0.2 -0.457 21.1-116.4 -92.3 162.9 6.4 1.4 -6.7 79 80 A M H > S+ 0 0 0 -12,-2.0 4,-2.6 1,-0.2 5,-0.2 0.872 115.0 52.5 -64.3 -41.0 10.0 2.6 -6.2 80 81 A P H > S+ 0 0 54 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.893 108.6 52.4 -62.6 -35.6 10.0 4.9 -9.2 81 82 A I H > S+ 0 0 88 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.933 111.4 45.6 -63.5 -45.8 6.8 6.5 -7.9 82 83 A L H <>S+ 0 0 3 -4,-2.0 5,-2.9 2,-0.2 4,-0.4 0.930 111.7 52.0 -61.1 -46.7 8.5 7.1 -4.4 83 84 A K H ><5S+ 0 0 86 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.907 107.9 52.5 -57.1 -44.7 11.7 8.5 -6.0 84 85 A D H 3<5S+ 0 0 138 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.860 108.9 48.4 -61.5 -40.0 9.7 10.9 -8.1 85 86 A I T 3<5S- 0 0 76 -4,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.400 127.0 -99.2 -84.4 5.2 7.8 12.4 -5.1 86 87 A G T < 5S+ 0 0 47 -3,-1.2 2,-0.6 -4,-0.4 -25,-0.2 0.673 80.0 131.9 91.8 19.0 11.2 12.7 -3.3 87 88 A V < + 0 0 0 -5,-2.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.920 16.6 162.2-102.1 118.2 11.2 9.6 -1.0 88 89 A H + 0 0 82 -2,-0.6 33,-2.7 -27,-0.5 2,-0.3 0.067 52.4 78.4-126.8 21.9 14.6 7.8 -1.3 89 90 A W E +de 62 121A 10 -28,-0.5 -26,-2.2 31,-0.2 2,-0.3 -0.967 55.2 177.7-122.1 147.1 14.5 5.7 1.8 90 91 A V E -de 63 122A 0 31,-1.7 33,-2.5 -2,-0.3 2,-0.5 -0.985 25.3-139.4-150.4 138.6 12.5 2.5 2.1 91 92 A I E - e 0 123A 1 -28,-2.2 2,-0.3 -2,-0.3 33,-0.2 -0.838 31.5-176.6 -90.4 132.8 12.0 -0.2 4.8 92 93 A L E + e 0 124A 1 31,-2.5 33,-2.7 -2,-0.5 -27,-0.1 -0.988 53.3 20.0-136.0 146.4 11.9 -3.7 3.3 93 94 A G S S+ 0 0 1 -2,-0.3 5,-0.1 1,-0.2 -1,-0.1 0.652 70.8 175.9 75.5 18.4 11.3 -7.2 4.6 94 95 A H >> - 0 0 7 -30,-0.3 4,-1.9 1,-0.1 3,-0.8 -0.257 40.4-108.9 -57.7 146.5 9.6 -6.1 7.8 95 96 A S H 3> S+ 0 0 15 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.796 112.4 49.4 -58.5 -47.5 8.3 -9.1 9.7 96 97 A E H 3>>S+ 0 0 61 1,-0.2 4,-2.9 2,-0.2 5,-0.8 0.849 112.9 52.1 -63.8 -29.1 4.5 -9.1 9.3 97 98 A R H <>5S+ 0 0 56 -3,-0.8 6,-1.8 3,-0.2 4,-0.9 0.909 111.8 44.9 -66.9 -46.9 5.1 -8.6 5.5 98 99 A R H <5S+ 0 0 38 -4,-1.9 4,-0.2 4,-0.2 -2,-0.2 0.929 121.7 40.1 -57.4 -45.1 7.5 -11.6 5.5 99 100 A T H <5S+ 0 0 79 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.850 132.8 13.9 -80.6 -38.0 5.0 -13.7 7.6 100 101 A Y H <5S+ 0 0 183 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.1 0.707 122.4 51.9-115.7 -27.1 1.6 -12.8 6.2 101 102 A Y S < - 0 0 73 -2,-1.4 4,-3.0 1,-0.1 5,-0.2 -0.216 41.8 -96.5 -71.8 168.9 10.2 -14.8 1.2 105 106 A D H > S+ 0 0 61 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.900 128.4 49.4 -52.1 -44.7 13.9 -14.4 1.6 106 107 A E H > S+ 0 0 109 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.902 111.8 46.9 -60.7 -46.6 14.2 -14.4 -2.3 107 108 A I H > S+ 0 0 74 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.905 114.3 47.1 -65.5 -43.5 11.5 -11.8 -2.7 108 109 A V H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.942 112.0 50.3 -63.6 -48.0 13.0 -9.5 0.0 109 110 A A H X S+ 0 0 1 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.900 111.2 49.5 -56.0 -43.2 16.5 -9.9 -1.5 110 111 A Q H X S+ 0 0 69 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.924 110.7 49.2 -63.1 -45.7 15.1 -8.9 -4.9 111 112 A K H X S+ 0 0 24 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.925 111.8 49.2 -57.4 -47.2 13.2 -5.9 -3.5 112 113 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.908 111.1 50.3 -59.2 -43.9 16.4 -4.7 -1.7 113 114 A S H X S+ 0 0 5 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.929 112.0 46.3 -61.4 -47.7 18.5 -5.2 -4.9 114 115 A E H X S+ 0 0 35 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.880 111.3 52.4 -64.1 -40.5 16.0 -3.2 -7.0 115 116 A A H <>S+ 0 0 0 -4,-2.5 5,-2.8 2,-0.2 -1,-0.2 0.926 110.1 48.1 -61.4 -45.5 15.8 -0.4 -4.4 116 117 A C H ><5S+ 0 0 8 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.922 110.0 52.5 -59.9 -43.3 19.6 -0.1 -4.3 117 118 A K H 3<5S+ 0 0 155 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.841 108.1 52.0 -61.0 -33.4 19.7 0.0 -8.2 118 119 A Q T 3<5S- 0 0 42 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.270 124.8-103.2 -90.2 12.0 17.1 2.8 -8.0 119 120 A G T < 5 + 0 0 37 -3,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.684 68.8 150.7 80.1 21.3 19.3 4.8 -5.6 120 121 A F < - 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