==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 17-AUG-12 4GNJ . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA SP. SIAMENSIS; . AUTHOR B.KUAPRASERT,P.RIANGRUNGROJ,W.PORNTHANAKASEM,W.SUGINTA,M.MUN . 493 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21246.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 358 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 15.4 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 . 43 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 1 3 6 5 0 0 0 0 1 4 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 2 6 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 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 2 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 4 A K 0 0 124 0, 0.0 202,-0.1 0, 0.0 204,-0.1 0.000 360.0 360.0 360.0 147.5 -2.4 3.2 34.4 2 5 A P - 0 0 28 0, 0.0 201,-0.1 0, 0.0 202,-0.1 -0.207 360.0 -59.9 -66.9 171.9 0.1 4.4 31.8 3 6 A Q - 0 0 59 200,-0.1 32,-0.1 1,-0.1 224,-0.0 -0.306 63.3-121.3 -51.8 126.1 -0.9 7.2 29.4 4 7 A P - 0 0 10 0, 0.0 32,-2.6 0, 0.0 2,-0.4 -0.295 20.5-152.4 -71.1 157.4 -3.9 6.2 27.4 5 8 A I E -ab 36 228A 0 222,-1.8 224,-1.7 30,-0.2 2,-0.5 -0.996 9.5-170.9-127.9 136.9 -3.9 6.0 23.6 6 9 A V E -ab 37 229A 0 30,-2.0 32,-2.0 -2,-0.4 2,-0.4 -0.958 18.2-173.9-126.8 107.2 -7.0 6.5 21.4 7 10 A A E -ab 38 230A 0 222,-3.2 224,-3.3 -2,-0.5 2,-0.6 -0.888 18.0-144.6-113.5 131.8 -6.1 5.6 17.8 8 11 A A E -ab 39 231A 0 30,-3.2 32,-2.7 -2,-0.4 2,-0.7 -0.853 8.4-167.4 -91.7 118.9 -8.2 6.0 14.6 9 12 A N E +a 40 0A 6 222,-2.8 226,-0.2 -2,-0.6 227,-0.1 -0.893 7.1 179.5-104.6 97.8 -7.8 3.3 12.0 10 13 A W - 0 0 0 30,-2.0 3,-0.4 -2,-0.7 -1,-0.1 0.577 19.8-169.4 -69.1 -12.3 -9.5 4.7 8.9 11 14 A K - 0 0 51 29,-0.4 2,-0.9 1,-0.2 -1,-0.2 -0.265 61.9 -23.0 53.7-139.2 -8.6 1.6 7.0 12 15 A C S S+ 0 0 120 -3,-0.1 2,-0.3 29,-0.1 -1,-0.2 -0.533 112.1 106.8-100.7 62.6 -9.2 2.0 3.2 13 16 A N + 0 0 79 -2,-0.9 29,-0.4 -3,-0.4 2,-0.1 -0.992 35.4 78.1-138.6 147.3 -11.8 4.8 3.6 14 17 A G - 0 0 32 -2,-0.3 2,-0.3 27,-0.1 3,-0.1 -0.408 40.8-139.9 138.4 152.8 -12.1 8.5 2.9 15 18 A T > - 0 0 81 -2,-0.1 4,-2.6 1,-0.1 5,-0.3 -0.913 37.8-110.5-127.4 160.6 -12.6 11.3 0.4 16 19 A T H > S+ 0 0 93 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.907 120.7 48.9 -58.4 -38.4 -10.7 14.6 0.5 17 20 A A H > S+ 0 0 46 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.901 112.2 45.4 -68.2 -42.2 -14.0 16.3 1.4 18 21 A S H > S+ 0 0 53 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.881 114.8 49.4 -69.2 -37.1 -15.0 13.9 4.2 19 22 A I H X S+ 0 0 2 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.955 108.6 52.2 -62.8 -53.0 -11.4 14.0 5.6 20 23 A E H X S+ 0 0 97 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.921 113.1 45.3 -48.5 -50.3 -11.4 17.8 5.6 21 24 A K H X S+ 0 0 142 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.896 115.6 45.2 -62.5 -46.0 -14.7 17.9 7.5 22 25 A L H X S+ 0 0 14 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.907 111.0 52.5 -70.4 -41.5 -13.8 15.3 10.1 23 26 A V H X S+ 0 0 2 -4,-3.2 4,-2.8 2,-0.2 31,-0.2 0.895 106.5 54.3 -60.1 -40.0 -10.3 16.7 10.7 24 27 A Q H X S+ 0 0 80 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.926 109.2 48.4 -58.7 -44.1 -11.9 20.2 11.4 25 28 A V H X S+ 0 0 33 -4,-1.6 4,-0.8 2,-0.2 3,-0.2 0.921 111.8 49.0 -60.1 -47.4 -14.2 18.5 14.0 26 29 A L H >< S+ 0 0 0 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.884 111.0 50.7 -60.1 -41.0 -11.1 16.8 15.6 27 30 A N H 3< S+ 0 0 8 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.785 109.6 50.7 -64.9 -32.0 -9.2 20.1 15.6 28 31 A E H 3< S+ 0 0 87 -4,-1.5 2,-0.5 -3,-0.2 -1,-0.2 0.571 86.8 102.3 -84.0 -10.7 -12.2 21.9 17.4 29 32 A H << - 0 0 21 -4,-0.8 2,-0.4 -3,-0.6 414,-0.0 -0.659 69.5-138.8 -80.7 119.2 -12.5 19.2 20.1 30 33 A Q - 0 0 95 -2,-0.5 2,-0.5 413,-0.0 -2,-0.1 -0.675 18.5-171.4 -79.6 123.2 -10.9 20.4 23.4 31 34 A I + 0 0 17 -2,-0.4 4,-0.1 1,-0.1 214,-0.0 -0.981 10.6 173.9-117.3 117.5 -9.0 17.6 25.1 32 35 A D + 0 0 98 -2,-0.5 2,-0.2 2,-0.1 -1,-0.1 0.385 53.6 73.9-105.9 2.1 -7.8 18.6 28.7 33 36 A H S S- 0 0 30 2,-0.0 2,-0.9 1,-0.0 215,-0.1 -0.713 92.1 -88.8-116.9 168.3 -6.3 15.3 29.8 34 37 A D + 0 0 104 -2,-0.2 2,-0.3 214,-0.1 -2,-0.1 -0.635 67.5 136.4 -79.3 106.3 -3.1 13.4 29.1 35 38 A V - 0 0 1 -2,-0.9 2,-0.7 -32,-0.1 -30,-0.2 -0.974 49.6-134.9-149.7 136.7 -3.9 11.2 26.1 36 39 A Q E -a 5 0A 24 -32,-2.6 -30,-2.0 -2,-0.3 2,-0.3 -0.847 26.7-165.7 -88.2 113.8 -2.0 10.3 23.0 37 40 A C E -ac 6 58A 0 20,-2.8 22,-1.8 -2,-0.7 2,-0.4 -0.770 5.3-170.6 -98.6 150.4 -4.4 10.4 20.0 38 41 A V E -ac 7 59A 0 -32,-2.0 -30,-3.2 -2,-0.3 2,-0.4 -0.998 13.3-161.6-140.4 138.6 -3.4 8.9 16.7 39 42 A V E -ac 8 60A 0 20,-2.0 22,-2.9 -2,-0.4 -30,-0.2 -0.996 3.3-170.2-121.7 126.0 -5.0 9.0 13.2 40 43 A A E +a 9 0A 0 -32,-2.7 -30,-2.0 -2,-0.4 -29,-0.4 -0.918 15.0 177.8-112.5 99.4 -4.0 6.4 10.6 41 44 A P - 0 0 0 0, 0.0 22,-0.3 0, 0.0 -30,-0.1 -0.448 43.6 -77.9 -90.4 170.4 -5.4 7.4 7.2 42 45 A S >> - 0 0 23 -29,-0.4 3,-1.7 -2,-0.1 4,-0.7 -0.313 55.1-101.2 -60.9 153.7 -4.8 5.5 3.9 43 46 A F G >4 S+ 0 0 71 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.861 121.8 53.8 -49.2 -45.1 -1.3 6.2 2.5 44 47 A V G 34 S+ 0 0 122 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.693 108.2 52.3 -67.4 -17.3 -2.5 8.7 -0.1 45 48 A H G <> S+ 0 0 25 -3,-1.7 4,-2.2 1,-0.1 -1,-0.3 0.516 82.7 90.7 -95.5 -6.4 -4.3 10.7 2.6 46 49 A I H S+ 0 0 68 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.920 112.2 45.1 -57.4 -44.1 -0.1 14.4 3.4 48 51 A M H > S+ 0 0 34 -4,-0.3 4,-2.2 2,-0.2 5,-0.2 0.859 114.1 50.0 -70.6 -30.3 -3.4 16.1 3.7 49 52 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.931 109.7 51.0 -71.0 -42.0 -3.9 14.8 7.3 50 53 A Q H < S+ 0 0 67 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.865 115.6 43.9 -58.4 -37.3 -0.4 16.0 8.2 51 54 A A H < S+ 0 0 82 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.858 123.1 32.0 -75.4 -36.6 -1.3 19.4 6.8 52 55 A K H < S+ 0 0 89 -4,-2.2 2,-0.6 -5,-0.1 -2,-0.2 0.746 98.9 80.3 -99.9 -28.0 -4.9 19.8 8.2 53 56 A L < + 0 0 19 -4,-2.5 -29,-0.1 -5,-0.2 7,-0.1 -0.753 42.9 150.5 -83.8 119.3 -4.8 18.0 11.6 54 57 A C + 0 0 22 -2,-0.6 -1,-0.1 -31,-0.2 385,-0.1 0.360 17.5 132.6-130.3 3.9 -3.2 20.3 14.2 55 58 A N > - 0 0 10 1,-0.2 3,-2.1 2,-0.1 337,-0.1 -0.423 58.3-136.2 -57.3 120.6 -4.9 19.2 17.5 56 59 A P T 3 S+ 0 0 13 0, 0.0 -1,-0.2 0, 0.0 336,-0.1 0.618 96.4 68.9 -68.5 -6.3 -1.7 18.9 19.6 57 60 A K T 3 S+ 0 0 47 -21,-0.1 -20,-2.8 335,-0.0 2,-0.3 0.601 91.3 86.9 -77.1 -7.1 -2.8 15.7 21.2 58 61 A Y E < -c 37 0A 22 -3,-2.1 2,-0.3 -22,-0.2 -20,-0.2 -0.674 49.3-174.8-106.8 149.7 -2.4 13.8 17.9 59 62 A A E -c 38 0A 23 -22,-1.8 -20,-2.0 -2,-0.3 2,-0.4 -0.928 29.4-120.7-123.9 154.1 0.2 12.1 15.9 60 63 A V E -c 39 0A 24 -2,-0.3 28,-0.7 -22,-0.2 27,-0.7 -0.810 30.5-167.1 -94.7 138.6 -0.2 10.7 12.3 61 64 A S E -d 88 0A 0 -22,-2.9 28,-0.3 -2,-0.4 2,-0.2 -0.899 19.8-127.2-120.9 148.9 0.3 7.0 11.8 62 65 A A E -d 89 0A 0 26,-2.3 28,-2.1 -2,-0.3 3,-0.1 -0.599 17.4-137.3 -79.0 157.0 0.7 4.7 8.7 63 66 A E S S- 0 0 42 -22,-0.3 2,-0.3 1,-0.3 30,-0.3 0.500 81.3 -13.2 -91.1 -7.2 -1.6 1.7 8.6 64 67 A N - 0 0 5 27,-0.1 2,-0.3 28,-0.1 -1,-0.3 -0.929 64.3-176.1-176.6 164.0 1.2 -0.6 7.4 65 68 A A - 0 0 0 -2,-0.3 2,-0.3 -3,-0.1 12,-0.2 -0.960 22.4-126.5-161.1 164.8 4.8 -0.5 6.0 66 69 A I B -i 77 0B 29 10,-2.1 12,-2.0 -2,-0.3 -2,-0.0 -0.828 30.1-120.0-109.0 161.5 7.6 -2.6 4.7 67 70 A A S S+ 0 0 19 -2,-0.3 2,-0.3 10,-0.2 10,-0.1 0.829 84.7 35.6 -69.3 -38.9 11.1 -2.3 6.2 68 71 A K S S- 0 0 149 10,-0.1 2,-0.1 9,-0.1 -1,-0.1 -0.899 72.1-122.5-126.9 146.2 13.3 -1.3 3.3 69 72 A S + 0 0 59 -2,-0.3 2,-0.3 8,-0.1 7,-0.1 -0.447 63.9 80.7 -73.7 157.9 13.0 1.0 0.2 70 73 A G S S- 0 0 62 -2,-0.1 2,-2.2 2,-0.1 7,-0.1 -0.993 85.4 -2.7 145.6-149.0 13.6 -0.7 -3.2 71 74 A A S S+ 0 0 101 -2,-0.3 2,-0.2 1,-0.1 -2,-0.0 -0.448 81.1 122.0 -88.0 70.6 12.0 -2.8 -5.9 72 75 A F > - 0 0 98 -2,-2.2 3,-2.4 3,-0.1 -1,-0.1 -0.633 53.7-149.8-132.5 68.6 8.7 -3.3 -4.1 73 76 A T T 3 S+ 0 0 150 1,-0.3 3,-0.1 -2,-0.2 -2,-0.1 -0.150 78.6 9.2 -52.2 126.2 6.0 -1.9 -6.5 74 77 A G T 3 S+ 0 0 74 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.257 103.6 108.9 90.0 -10.2 3.0 -0.6 -4.6 75 78 A E < - 0 0 85 -3,-2.4 2,-0.4 -10,-0.0 -1,-0.3 -0.579 58.5-138.5 -95.1 161.3 4.5 -0.8 -1.1 76 79 A V - 0 0 31 -2,-0.2 -10,-2.1 -3,-0.1 2,-0.2 -0.988 19.9-142.8-118.8 131.5 5.5 2.0 1.2 77 80 A S B > -i 66 0B 3 -2,-0.4 4,-2.3 -12,-0.2 -10,-0.2 -0.481 19.5-119.4 -94.2 160.1 8.7 1.7 3.3 78 81 A M H > S+ 0 0 0 -12,-2.0 4,-2.8 1,-0.2 5,-0.2 0.884 114.5 52.4 -62.4 -40.8 9.7 2.9 6.8 79 82 A P H > S+ 0 0 55 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.917 109.0 51.0 -65.7 -34.7 12.4 5.1 5.6 80 83 A I H > S+ 0 0 87 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.923 112.3 46.4 -61.0 -47.5 10.0 6.8 3.2 81 84 A L H X>S+ 0 0 4 -4,-2.3 5,-2.6 2,-0.2 4,-0.7 0.914 111.3 51.7 -60.3 -44.3 7.5 7.3 6.0 82 85 A K H ><5S+ 0 0 64 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.933 109.2 50.0 -59.3 -47.0 10.3 8.7 8.3 83 86 A D H 3<5S+ 0 0 144 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.841 107.7 54.5 -57.0 -35.4 11.4 11.1 5.7 84 87 A L H 3<5S- 0 0 78 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.610 123.7-106.6 -74.8 -13.3 7.7 12.3 5.3 85 88 A G T <<5S+ 0 0 32 -3,-1.2 2,-0.4 -4,-0.7 -3,-0.2 0.590 73.7 139.1 96.3 13.6 7.6 13.0 9.1 86 89 A V < + 0 0 0 -5,-2.6 -1,-0.3 -6,-0.1 -25,-0.1 -0.796 19.8 169.9 -93.4 130.3 5.5 10.0 10.1 87 90 A S + 0 0 33 -27,-0.7 33,-3.0 -2,-0.4 2,-0.4 0.294 54.7 70.3-125.7 4.8 6.7 8.3 13.3 88 91 A W E +de 61 120A 17 -28,-0.7 -26,-2.3 31,-0.2 2,-0.3 -0.951 53.8 177.4-125.0 144.7 3.8 5.9 14.1 89 92 A V E -de 62 121A 0 31,-1.8 33,-2.6 -2,-0.4 2,-0.5 -0.990 24.1-139.0-145.9 138.4 2.8 2.7 12.3 90 93 A I E - e 0 122A 2 -28,-2.1 2,-0.3 -2,-0.3 33,-0.2 -0.844 30.3-176.6 -88.3 132.7 0.2 0.0 12.7 91 94 A L E + e 0 123A 1 31,-2.5 33,-2.7 -2,-0.5 -27,-0.1 -0.985 55.1 18.0-133.1 146.1 1.6 -3.5 12.1 92 95 A G S S+ 0 0 0 -2,-0.3 5,-0.1 1,-0.2 -1,-0.1 0.653 70.8 176.5 72.1 18.4 0.0 -7.0 12.0 93 96 A H >> - 0 0 11 -30,-0.3 4,-2.4 1,-0.1 3,-1.4 -0.272 42.7-114.0 -49.5 139.5 -3.6 -5.7 11.7 94 97 A S H 3> S+ 0 0 13 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.820 116.5 59.0 -44.7 -40.8 -5.9 -8.8 11.4 95 98 A E H 3>>S+ 0 0 55 2,-0.2 4,-2.8 1,-0.2 5,-0.6 0.877 109.6 43.2 -63.6 -32.6 -6.8 -7.8 7.9 96 99 A R H <>5S+ 0 0 58 -3,-1.4 6,-1.8 2,-0.2 4,-0.9 0.884 114.1 49.0 -79.7 -40.3 -3.2 -8.0 6.9 97 100 A R H <5S+ 0 0 39 -4,-2.4 4,-0.2 4,-0.2 -2,-0.2 0.869 121.7 38.2 -62.2 -34.5 -2.6 -11.2 8.7 98 101 A T H <5S+ 0 0 90 -4,-2.9 -2,-0.2 -5,-0.3 3,-0.2 0.936 131.6 18.3 -83.9 -51.4 -5.8 -12.6 7.0 99 102 A Y H <5S+ 0 0 159 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.769 124.5 47.1 -92.2 -30.4 -5.8 -11.2 3.4 100 103 A Y S < - 0 0 84 -2,-1.3 4,-2.6 1,-0.1 5,-0.2 -0.288 45.2 -94.1 -70.3 166.9 2.3 -14.6 9.4 104 107 A D H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.865 128.4 48.9 -52.3 -39.9 3.5 -14.2 13.1 105 108 A G H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.867 108.7 50.8 -72.0 -41.5 7.1 -14.1 11.9 106 109 A V H > S+ 0 0 60 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.929 113.8 45.9 -58.4 -46.4 6.5 -11.5 9.1 107 110 A V H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.933 111.1 52.9 -66.3 -42.2 4.7 -9.3 11.7 108 111 A A H X S+ 0 0 1 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.884 110.5 46.5 -60.9 -41.7 7.5 -9.8 14.2 109 112 A Q H X S+ 0 0 80 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.915 111.0 52.2 -67.4 -42.4 10.2 -8.8 11.8 110 113 A K H X S+ 0 0 23 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.909 109.8 49.7 -58.6 -43.7 8.3 -5.7 10.7 111 114 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.905 111.6 47.5 -61.9 -45.3 7.9 -4.6 14.3 112 115 A A H X S+ 0 0 3 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.903 113.5 48.8 -62.3 -42.7 11.7 -5.1 15.0 113 116 A D H X S+ 0 0 42 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.925 112.1 48.2 -61.8 -45.9 12.5 -3.1 11.8 114 117 A A H <>S+ 0 0 0 -4,-2.7 5,-2.6 -5,-0.2 4,-0.2 0.923 112.4 49.3 -61.5 -45.2 10.1 -0.3 12.8 115 118 A Y H ><5S+ 0 0 35 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.946 110.3 50.7 -54.0 -51.0 11.6 -0.2 16.3 116 119 A N H 3<5S+ 0 0 112 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.759 108.9 52.3 -65.3 -23.2 15.1 -0.1 14.8 117 120 A Q T 3<5S- 0 0 60 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.340 123.9-100.3 -97.5 7.4 14.1 2.8 12.6 118 121 A G T < 5 + 0 0 36 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.698 69.9 146.9 90.2 22.9 12.6 4.9 15.4 119 122 A F < - 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0 0 6 -40,-3.5 2,-2.2 -2,-0.6 3,-0.2 -0.921 15.9-150.2-104.9 113.1 10.8 31.9 20.8 415 169 B P >> + 0 0 0 0, 0.0 3,-2.6 0, 0.0 4,-0.6 -0.525 25.3 173.7 -74.8 77.1 12.9 29.5 18.7 416 170 B V H >> S+ 0 0 36 -2,-2.2 4,-1.1 -40,-0.4 3,-0.8 0.815 72.0 67.2 -57.1 -34.0 14.6 28.3 21.9 417 171 B W H 34 S+ 0 0 14 -41,-1.3 -1,-0.3 1,-0.2 -40,-0.1 0.608 112.1 32.9 -57.0 -16.5 16.4 25.6 19.7 418 172 B A H <4 S+ 0 0 23 -3,-2.6 -1,-0.2 1,-0.0 -2,-0.2 0.286 105.6 69.0-125.9 -4.6 18.3 28.6 18.0 419 173 B I H << 0 0 75 -3,-0.8 -2,-0.2 -4,-0.6 -3,-0.1 0.684 360.0 360.0 -92.3 -18.1 18.6 31.0 20.9 420 174 B G < 0 0 91 -4,-1.1 0, 0.0 0, 0.0 0, 0.0 -0.693 360.0 360.0-106.2 360.0 21.1 28.6 22.7 421 ! 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 0.0 422 177 B K 0 0 143 0, 0.0 2,-0.4 0, 0.0 -44,-0.0 0.000 360.0 360.0 360.0 157.0 21.7 26.8 15.3 423 178 B V - 0 0 119 -4,-0.0 2,-0.6 -6,-0.0 -4,-0.1 -0.970 360.0-143.0-124.6 137.5 20.0 29.5 13.2 424 179 B A - 0 0 16 -2,-0.4 35,-0.1 -6,-0.2 34,-0.0 -0.915 21.6-143.2 -96.5 125.5 16.3 30.1 12.6 425 180 B T > - 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0 0 13 -5,-2.1 4,-2.2 1,-0.1 -1,-0.2 -0.670 23.4-109.3 158.1 153.3 -12.3 31.9 15.5 446 201 B N H > S+ 0 0 104 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.852 115.3 55.5 -71.6 -34.1 -11.1 33.6 12.3 447 202 B G H > S+ 0 0 54 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.929 111.8 45.4 -59.9 -46.7 -11.9 37.2 13.6 448 203 B V H > S+ 0 0 26 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.912 112.7 49.6 -63.2 -45.0 -9.6 36.5 16.6 449 204 B A H < S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.891 109.2 53.6 -61.9 -39.7 -6.8 34.9 14.5 450 205 B T H < S+ 0 0 79 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.892 114.6 39.6 -59.8 -43.0 -6.9 37.9 12.0 451 206 B K H < S+ 0 0 139 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.627 90.8 111.3 -83.1 -18.1 -6.4 40.5 14.8 452 207 B L < - 0 0 4 -4,-1.3 2,-0.5 -3,-0.2 -42,-0.1 -0.412 62.0-139.6 -68.0 129.3 -3.9 38.5 16.9 453 208 B R E -p 410 0C 31 -44,-0.5 -42,-2.4 -2,-0.2 2,-0.5 -0.783 17.1-171.8 -85.0 122.9 -0.4 39.8 17.0 454 209 B I E -p 411 0C 0 -2,-0.5 21,-2.8 -44,-0.2 22,-0.3 -0.973 11.7-161.0-115.5 113.1 2.2 37.0 16.8 455 210 B L E -p 412 0C 0 -44,-3.4 -42,-2.8 -2,-0.5 2,-0.5 -0.687 17.3-124.6 -97.9 143.5 5.7 38.4 17.5 456 211 B Y E -pq 413 477C 7 20,-2.7 22,-1.9 -2,-0.3 -42,-0.2 -0.790 24.4-177.8 -88.7 127.2 8.9 36.8 16.6 457 212 B G + 0 0 10 -44,-3.0 -43,-0.1 -2,-0.5 -1,-0.1 0.074 47.7 99.7-117.3 19.2 11.2 36.4 19.6 458 213 B G S S- 0 0 5 -45,-0.2 2,-0.5 1,-0.2 22,-0.3 -0.019 95.5 -41.5 -82.6-162.2 14.3 34.9 18.1 459 214 B S - 0 0 87 -44,-0.1 2,-0.5 -41,-0.1 -1,-0.2 -0.538 66.9-177.5 -72.2 114.8 17.4 36.9 17.2 460 215 B V + 0 0 5 -2,-0.5 22,-0.4 -3,-0.1 2,-0.3 -0.976 8.1 162.1-118.6 126.1 16.2 40.2 15.7 461 216 B T > - 0 0 48 -2,-0.5 4,-1.8 20,-0.1 3,-0.5 -0.829 56.5 -98.9-130.3 171.0 18.7 42.8 14.4 462 217 B A T 4 S+ 0 0 46 -2,-0.3 4,-0.5 1,-0.2 -1,-0.1 0.845 122.9 59.8 -54.5 -33.5 18.7 45.8 12.1 463 218 B G T 4 S+ 0 0 71 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.795 119.2 20.3 -68.7 -33.7 20.1 43.4 9.6 464 219 B N T > S+ 0 0 47 -3,-0.5 4,-2.6 2,-0.1 5,-0.2 0.489 95.9 94.2-113.3 -4.8 17.1 40.9 9.5 465 220 B A H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.906 88.8 46.4 -61.7 -43.3 14.2 42.9 10.9 466 221 B K H > S+ 0 0 107 -4,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.924 112.2 50.6 -65.7 -42.8 12.8 44.0 7.6 467 222 B T H > S+ 0 0 75 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.918 113.4 46.3 -60.5 -44.9 13.1 40.5 6.0 468 223 B L H >< S+ 0 0 2 -4,-2.6 3,-1.5 1,-0.2 6,-0.2 0.936 109.0 53.3 -63.6 -45.4 11.2 39.0 9.0 469 224 B Y H 3< S+ 0 0 32 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.776 96.6 68.5 -65.1 -24.9 8.5 41.6 9.0 470 225 B M H 3< S+ 0 0 107 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.797 77.1 101.6 -55.9 -32.9 7.8 40.9 5.3 471 226 B K S X< S- 0 0 45 -3,-1.5 3,-1.3 -4,-0.6 -44,-0.0 -0.307 80.3-129.4 -62.5 137.5 6.4 37.5 6.3 472 227 B P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.756 102.5 42.2 -66.3 -23.4 2.6 37.5 6.3 473 228 B D T 3 S+ 0 0 31 -223,-0.1 2,-0.6 -20,-0.0 -19,-0.2 0.300 89.3 96.6-108.2 6.4 2.2 36.1 9.8 474 229 B I < - 0 0 3 -3,-1.3 -19,-0.2 -6,-0.2 3,-0.1 -0.887 45.6-178.8 -97.0 122.5 4.9 38.0 11.7 475 230 B N - 0 0 0 -21,-2.8 -221,-2.0 -2,-0.6 2,-0.3 0.139 56.9 -66.4-109.7 18.4 3.4 41.0 13.5 476 231 B G E -k 254 0C 0 -22,-0.3 -20,-2.7 -223,-0.2 2,-0.3 -0.949 64.4 -64.2 130.3-152.9 6.6 42.4 15.0 477 232 B F E -kq 255 456C 0 -223,-1.8 -221,-3.2 -2,-0.3 2,-0.6 -0.977 0.8-149.4-146.7 145.4 9.1 41.4 17.6 478 233 B L E -k 256 0C 6 -22,-1.9 2,-0.4 -2,-0.3 -221,-0.2 -0.956 44.6-158.8-107.9 105.6 10.1 40.6 21.1 479 234 B V E +k 257 0C 1 -223,-3.5 -221,-2.7 -2,-0.6 -20,-0.1 -0.721 20.9 175.4-100.6 131.3 13.7 41.8 20.9 480 235 B G S > S+ 0 0 17 -2,-0.4 3,-2.0 -22,-0.3 4,-0.3 0.673 70.8 11.8 -91.0-105.7 16.6 40.8 23.2 481 236 B G G > S+ 0 0 53 1,-0.3 3,-1.6 2,-0.2 -20,-0.1 0.828 125.9 52.4 -45.5 -49.1 20.2 41.9 22.6 482 237 B A G > S+ 0 0 8 -22,-0.4 3,-1.3 1,-0.3 6,-0.6 0.679 94.5 72.4 -70.2 -14.9 19.5 44.6 20.0 483 238 B S G < S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.568 89.3 61.0 -76.4 -10.5 16.9 46.3 22.3 484 239 B L G < S+ 0 0 59 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.289 102.8 68.8 -89.6 7.5 19.7 47.6 24.6 485 240 B K S X S- 0 0 110 -3,-1.3 3,-2.6 1,-0.1 4,-0.2 -0.885 94.2-109.8-130.0 153.4 21.1 49.5 21.6 486 241 B P T > S+ 0 0 62 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.786 110.4 81.1 -48.7 -29.3 20.2 52.5 19.4 487 242 B E T >> + 0 0 47 1,-0.3 4,-1.5 2,-0.2 3,-0.9 0.709 69.3 79.9 -46.4 -28.7 19.7 49.8 16.8 488 243 B F H <> S+ 0 0 0 -3,-2.6 4,-2.3 -6,-0.6 -1,-0.3 0.861 84.9 61.4 -53.5 -35.2 16.2 49.2 18.3 489 244 B R H <> S+ 0 0 85 -3,-2.0 4,-2.5 -4,-0.2 -1,-0.2 0.897 101.2 51.2 -57.0 -41.2 15.0 52.2 16.3 490 245 B D H <> S+ 0 0 82 -3,-0.9 4,-1.3 -4,-0.4 -1,-0.2 0.873 107.3 52.9 -67.5 -35.8 15.9 50.5 13.0 491 246 B I H < S+ 0 0 0 -4,-1.5 3,-0.4 2,-0.2 4,-0.3 0.931 109.5 48.8 -65.7 -45.8 13.9 47.4 14.1 492 247 B I H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.2 -2,-0.2 0.936 109.1 53.3 -51.2 -49.3 10.9 49.7 14.8 493 248 B D H >< S+ 0 0 40 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.749 95.6 69.3 -64.1 -23.6 11.3 51.3 11.4 494 249 B A T 3< S+ 0 0 8 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.619 87.9 65.6 -69.5 -12.8 11.2 47.8 9.8 495 250 B T T < 0 0 4 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.247 360.0 360.0 -93.3 12.6 7.5 47.6 10.7 496 251 B R < 0 0 179 -3,-1.4 -3,-0.0 -214,-0.1 -2,-0.0 0.061 360.0 360.0 -77.3 360.0 6.7 50.5 8.3