==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 25-AUG-98 8TIM . COMPND 2 MOLECULE: TRIOSE PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR P.J.ARTYMIUK,W.R.TAYLOR,D.C.PHILLIPS . 494 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19885.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 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 . 38 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 32.6 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 2 8 4 0 0 0 0 1 5 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 6 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 PARALLEL BRIDGES PER LADDER . 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 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 2 A A 0 0 92 0, 0.0 2,-2.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.3 42.7 12.4 -8.7 2 3 A P - 0 0 142 0, 0.0 200,-0.1 0, 0.0 199,-0.0 -0.196 360.0-131.2 -65.2 53.2 45.4 11.6 -6.0 3 4 A R - 0 0 73 -2,-2.3 2,-0.3 198,-0.5 200,-0.1 0.472 11.7-127.5 -22.6 119.0 45.1 14.9 -4.2 4 5 A K - 0 0 85 1,-0.1 -1,-0.1 32,-0.0 32,-0.1 -0.528 24.7-105.4 -79.2 126.9 48.0 17.0 -3.3 5 6 A F E -a 36 0A 19 30,-0.7 32,-4.9 -2,-0.3 2,-0.4 -0.154 40.6-160.7 -54.1 127.3 48.7 18.4 0.1 6 7 A F E -ab 37 227A 0 220,-2.2 222,-1.9 30,-0.2 2,-0.4 -0.937 12.9-174.7-118.6 136.0 48.0 22.1 0.2 7 8 A V E -ab 38 228A 0 30,-3.7 32,-2.9 -2,-0.4 2,-0.5 -0.970 5.4-166.8-138.5 122.6 49.2 24.7 2.6 8 9 A G E -ab 39 229A 4 220,-3.3 222,-3.5 -2,-0.4 2,-0.7 -0.907 12.0-151.3-110.9 131.9 48.0 28.3 2.6 9 10 A G E -ab 40 230A 1 30,-3.8 32,-3.7 -2,-0.5 2,-0.9 -0.906 11.6-170.1-104.8 107.9 49.6 31.2 4.4 10 11 A N E -a 41 0A 3 220,-3.7 224,-0.2 -2,-0.7 32,-0.1 -0.807 4.7-178.3 -95.9 93.3 46.9 33.8 5.2 11 12 A W - 0 0 4 30,-2.0 -1,-0.1 -2,-0.9 31,-0.1 0.603 15.5-169.6 -68.8 -16.9 48.8 36.9 6.5 12 13 A K - 0 0 35 29,-0.3 2,-1.3 1,-0.2 308,-0.2 -0.246 62.4 -24.9 61.6-150.8 45.8 39.1 7.2 13 14 A M B S+I 319 0B 0 306,-2.3 306,-2.6 29,-0.1 2,-0.3 -0.672 108.8 117.5 -93.6 69.2 46.5 42.7 8.0 14 15 A N + 0 0 39 -2,-1.3 304,-0.1 304,-0.2 -3,-0.1 -0.945 45.2 18.5-139.8 158.2 50.0 42.1 9.3 15 16 A G - 0 0 29 -2,-0.3 2,-0.3 4,-0.0 220,-0.0 0.047 51.4-125.8 80.2 172.5 53.6 43.0 8.5 16 17 A D > - 0 0 56 316,-0.1 4,-2.8 30,-0.0 5,-0.3 -0.874 44.8 -84.7-150.8 163.9 55.4 45.5 6.5 17 18 A K H > S+ 0 0 57 -2,-0.3 4,-1.8 2,-0.2 5,-0.2 0.735 125.3 49.2 -48.5 -39.1 58.0 45.1 3.8 18 19 A K H > S+ 0 0 165 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.996 116.6 39.5 -66.9 -68.1 60.9 44.7 6.2 19 20 A S H > S+ 0 0 42 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.727 119.4 48.2 -43.7 -39.8 59.3 42.1 8.5 20 21 A L H X S+ 0 0 3 -4,-2.8 4,-3.3 2,-0.2 5,-0.4 0.896 106.2 53.1 -73.4 -51.9 57.7 40.3 5.5 21 22 A G H X S+ 0 0 21 -4,-1.8 4,-2.9 -5,-0.3 -2,-0.2 0.902 107.3 55.7 -56.5 -39.1 60.8 40.1 3.3 22 23 A E H X S+ 0 0 114 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.979 109.6 46.7 -54.7 -54.7 62.4 38.5 6.4 23 24 A L H X S+ 0 0 11 -4,-1.5 4,-0.8 1,-0.2 -2,-0.2 0.916 114.4 45.4 -45.5 -57.5 59.6 36.0 6.3 24 25 A I H >X S+ 0 0 3 -4,-3.3 4,-3.5 1,-0.2 3,-0.5 0.872 109.7 55.6 -57.1 -42.0 59.9 35.4 2.6 25 26 A H H 3X S+ 0 0 146 -4,-2.9 4,-1.9 -5,-0.4 -2,-0.2 0.972 108.0 48.8 -59.0 -51.2 63.7 35.1 2.9 26 27 A T H 3X S+ 0 0 61 -4,-2.6 4,-0.6 1,-0.2 -1,-0.3 0.622 117.6 42.7 -58.0 -23.0 63.3 32.4 5.5 27 28 A L H << S+ 0 0 4 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.839 109.7 51.7 -89.0 -50.7 60.9 30.7 3.2 28 29 A N H < S+ 0 0 35 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.2 0.791 116.9 45.7 -56.2 -37.1 62.6 31.1 -0.0 29 30 A G H < S+ 0 0 63 -4,-1.9 -1,-0.2 -5,-0.4 -2,-0.2 0.743 94.4 96.7 -84.8 -29.6 65.5 29.6 1.9 30 31 A A S < S- 0 0 24 -4,-0.6 2,-0.7 -5,-0.1 -3,-0.1 0.063 76.4-114.7 -58.7 166.1 63.7 26.7 3.7 31 32 A K + 0 0 195 2,-0.0 2,-0.4 213,-0.0 213,-0.1 -0.923 43.0 171.3-102.6 108.4 63.6 23.0 2.5 32 33 A L - 0 0 35 -2,-0.7 2,-0.2 -5,-0.1 208,-0.0 -0.972 27.5-124.6-128.4 146.8 60.0 22.1 1.6 33 34 A S > - 0 0 29 -2,-0.4 3,-1.1 4,-0.0 2,-0.3 -0.581 14.0-130.2 -81.7 148.3 58.6 19.0 -0.1 34 35 A A T 3 S+ 0 0 76 1,-0.2 3,-0.1 -2,-0.2 -1,-0.0 -0.535 95.8 79.2 -83.0 168.1 56.6 18.9 -3.2 35 36 A D T 3 S+ 0 0 104 -2,-0.3 -30,-0.7 -30,-0.2 2,-0.6 -0.518 92.3 79.7 130.5 -42.0 53.7 16.8 -2.1 36 37 A T E < S-a 5 0A 12 -3,-1.1 2,-0.5 -32,-0.1 -30,-0.2 -0.802 72.0-157.3-105.7 126.3 52.9 20.1 -0.6 37 38 A E E -a 6 0A 56 -32,-4.9 -30,-3.7 -2,-0.6 2,-0.4 -0.857 19.6-159.4 -88.3 119.4 51.5 22.8 -2.6 38 39 A V E +a 7 0A 12 -2,-0.5 21,-2.0 19,-0.4 2,-0.3 -0.913 15.4 172.9-115.1 141.4 52.2 26.2 -0.9 39 40 A V E -ac 8 59A 7 -32,-2.9 -30,-3.8 -2,-0.4 2,-0.4 -0.990 14.3-155.5-145.7 136.0 50.5 29.6 -1.2 40 41 A C E -ac 9 60A 2 19,-2.4 21,-4.8 -2,-0.3 2,-0.6 -0.878 5.3-156.1-114.0 135.6 50.9 33.0 0.6 41 42 A G E -ac 10 61A 2 -32,-3.7 -30,-2.0 -2,-0.4 -29,-0.3 -0.949 17.1-170.3-115.6 105.6 48.3 35.5 0.8 42 43 A A E - c 0 62A 0 19,-0.9 21,-0.7 -2,-0.6 5,-0.2 -0.659 34.4 -94.2 -99.8 154.5 49.5 39.0 1.4 43 44 A P >> - 0 0 0 0, 0.0 4,-1.0 0, 0.0 3,-0.7 -0.243 52.7-106.9 -50.6 148.8 47.8 42.3 2.2 44 45 A S G >4 S+ 0 0 15 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.808 117.7 56.6 -63.3 -34.4 47.1 44.0 -1.2 45 46 A I G 34 S+ 0 0 2 1,-0.3 4,-0.4 2,-0.1 3,-0.4 0.851 112.9 47.5 -59.6 -36.2 49.8 46.8 -1.0 46 47 A Y G <> S+ 0 0 1 -3,-0.7 4,-2.4 1,-0.2 -1,-0.3 0.676 84.5 93.9 -77.9 -16.3 52.2 43.9 -0.5 47 48 A L H S+ 0 0 11 -4,-0.4 4,-3.3 -3,-0.4 -1,-0.2 0.889 113.6 54.4 -69.8 -44.1 53.5 42.7 -6.0 49 50 A F H > S+ 0 0 20 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.869 112.8 46.4 -51.8 -43.0 56.4 43.1 -3.7 50 51 A A H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 -1,-0.2 0.863 108.6 49.9 -75.0 -41.8 55.8 39.6 -2.6 51 52 A R H < S+ 0 0 48 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.923 114.0 51.6 -62.1 -43.3 55.3 37.9 -5.9 52 53 A Q H < S+ 0 0 108 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.909 118.1 34.1 -55.5 -56.4 58.6 39.7 -6.7 53 54 A K H < S+ 0 0 111 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.805 102.7 88.4 -71.5 -33.7 60.5 38.5 -3.7 54 55 A L S < S- 0 0 8 -4,-3.2 2,-0.2 -5,-0.1 -29,-0.1 -0.513 81.9-112.1 -76.4 149.8 58.9 35.0 -3.5 55 56 A D > - 0 0 72 -31,-0.2 3,-2.1 -2,-0.1 -1,-0.1 -0.441 24.5-113.4 -77.3 153.5 60.3 32.1 -5.4 56 57 A A T 3 S+ 0 0 102 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.758 115.6 72.8 -54.2 -35.6 58.4 30.5 -8.3 57 58 A K T 3 S+ 0 0 107 1,-0.1 2,-0.4 -29,-0.1 -19,-0.4 0.809 95.0 62.9 -42.4 -42.1 58.1 27.5 -6.0 58 59 A I S < S- 0 0 2 -3,-2.1 -19,-0.2 -21,-0.1 2,-0.1 -0.777 76.2-144.0-101.6 129.0 55.6 29.5 -3.9 59 60 A G E -c 39 0A 18 -21,-2.0 -19,-2.4 -2,-0.4 2,-0.4 -0.475 13.1-137.4 -83.1 155.8 52.2 30.8 -5.1 60 61 A V E -c 40 0A 2 26,-0.3 28,-1.7 -21,-0.2 29,-1.2 -0.980 15.7-167.0-123.7 133.4 50.7 34.1 -4.1 61 62 A A E -cd 41 89A 4 -21,-4.8 -19,-0.9 -2,-0.4 2,-0.3 -0.948 18.3-134.5-121.7 141.1 47.1 34.7 -3.1 62 63 A A E -cd 42 90A 2 27,-2.2 29,-2.9 -2,-0.4 3,-0.1 -0.675 21.6-130.9 -82.4 145.7 45.2 38.0 -2.7 63 64 A Q S S- 0 0 6 -21,-0.7 2,-0.2 -2,-0.3 31,-0.2 0.279 80.7 -14.2 -83.9 8.7 43.1 37.9 0.5 64 65 A N - 0 0 14 28,-0.1 2,-0.3 29,-0.1 -1,-0.2 -0.809 59.5-177.5 166.2 160.4 40.0 39.2 -1.3 65 66 A C - 0 0 2 -2,-0.2 13,-0.2 -3,-0.1 2,-0.2 -0.864 26.8-108.9-160.2 179.7 38.8 40.8 -4.7 66 67 A Y - 0 0 17 11,-1.4 -2,-0.0 -2,-0.3 7,-0.0 -0.565 29.2-110.2-112.1 174.9 35.5 42.0 -6.2 67 68 A K S S+ 0 0 66 -2,-0.2 11,-0.1 11,-0.1 41,-0.0 0.106 90.8 68.2-104.4 25.8 33.4 40.5 -9.1 68 69 A V S S- 0 0 46 9,-0.1 -2,-0.3 1,-0.1 3,-0.1 -0.991 71.3-138.5-139.4 148.8 34.0 43.0 -11.8 69 70 A P S S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 9,-0.2 0.903 80.4 16.0 -73.2 -42.9 37.2 43.8 -13.6 70 71 A K S S+ 0 0 151 192,-0.1 2,-0.3 7,-0.1 192,-0.2 -0.965 81.7 23.4-137.4 158.9 36.9 47.6 -13.7 71 72 A G B S+J 261 0C 12 190,-2.5 190,-3.7 -2,-0.3 2,-3.0 -0.816 76.4 21.9 130.8-164.9 35.2 50.6 -12.2 72 73 A A S S+ 0 0 51 -2,-0.3 2,-0.3 188,-0.2 188,-0.1 -0.380 77.5 118.0 -72.2 60.1 33.4 52.7 -9.8 73 74 A F > - 0 0 38 -2,-3.0 3,-2.0 3,-0.2 2,-0.2 -0.709 52.3-158.0-126.4 73.0 34.4 50.5 -6.8 74 75 A T T 3 S+ 0 0 0 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.324 78.9 15.9 -62.2 125.5 36.5 52.7 -4.5 75 76 A G T 3 S+ 0 0 22 1,-0.3 -1,-0.2 -2,-0.2 2,-0.2 0.218 103.8 110.0 101.2 -16.4 38.7 50.6 -2.3 76 77 A E < - 0 0 16 -3,-2.0 2,-0.3 235,-0.1 -1,-0.3 -0.639 49.8-155.5 -95.7 153.6 38.4 47.4 -4.4 77 78 A I - 0 0 12 -2,-0.2 -11,-1.4 -3,-0.1 -9,-0.1 -0.886 18.2-128.1-122.6 154.2 40.9 45.5 -6.6 78 79 A S >> - 0 0 0 -2,-0.3 4,-2.6 -13,-0.2 3,-2.1 -0.776 21.6-114.2-102.0 147.6 40.0 43.2 -9.4 79 80 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.727 121.4 54.3 -49.5 -31.8 40.9 39.7 -10.4 80 81 A A H 3> S+ 0 0 37 2,-0.2 4,-2.2 3,-0.2 -10,-0.0 0.786 106.9 50.4 -74.7 -29.4 42.7 41.3 -13.4 81 82 A M H <> S+ 0 0 6 -3,-2.1 4,-2.1 2,-0.2 6,-0.2 0.943 111.0 49.3 -70.6 -51.5 44.7 43.4 -11.0 82 83 A I H X>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 4,-0.5 0.944 115.6 43.0 -47.2 -50.2 45.6 40.4 -9.1 83 84 A K H ><5S+ 0 0 82 -4,-2.3 3,-1.9 1,-0.2 -1,-0.2 0.891 104.5 63.6 -65.1 -41.5 46.6 38.6 -12.2 84 85 A D H 3<5S+ 0 0 67 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.829 105.1 48.3 -46.5 -45.5 48.4 41.6 -13.6 85 86 A I H 3<5S- 0 0 14 -4,-2.1 -1,-0.3 -3,-0.3 -2,-0.2 0.530 121.2-105.0 -76.7 -14.3 50.7 41.3 -10.7 86 87 A G T <<5S+ 0 0 40 -3,-1.9 -26,-0.3 -4,-0.5 2,-0.2 0.466 74.7 134.5 100.7 5.7 51.4 37.6 -11.1 87 88 A A < - 0 0 4 -5,-2.1 -1,-0.5 -6,-0.2 -26,-0.2 -0.617 32.3-172.0 -84.5 156.1 49.3 36.3 -8.2 88 89 A A + 0 0 50 -28,-1.7 33,-3.6 -2,-0.2 2,-0.3 0.388 57.4 59.3-127.6 1.6 47.2 33.3 -9.2 89 90 A W E -de 61 121A 26 -29,-1.2 -27,-2.2 31,-0.3 2,-0.4 -0.941 53.8-163.0-130.8 149.9 44.9 32.7 -6.2 90 91 A V E -de 62 122A 0 31,-1.7 33,-2.1 -2,-0.3 2,-0.5 -0.998 17.4-140.3-137.3 138.2 42.4 34.7 -4.3 91 92 A I E - e 0 123A 5 -29,-2.9 2,-0.4 -2,-0.4 33,-0.2 -0.809 34.1-178.8 -89.9 134.0 41.2 33.7 -0.8 92 93 A L E + e 0 124A 2 31,-2.9 33,-2.0 -2,-0.5 -28,-0.1 -0.999 47.0 27.4-146.7 147.0 37.5 34.3 -0.7 93 94 A G S S+ 0 0 1 -2,-0.4 -1,-0.1 1,-0.2 31,-0.1 0.642 73.9 178.1 84.6 20.9 34.6 34.0 1.7 94 95 A H >> - 0 0 8 -31,-0.2 4,-2.6 1,-0.1 3,-1.0 -0.219 38.3-119.3 -57.9 146.9 36.8 34.5 4.7 95 96 A S H 3> S+ 0 0 13 1,-0.3 4,-4.0 2,-0.2 5,-0.1 0.833 111.6 56.5 -50.2 -52.3 35.2 34.5 8.0 96 97 A E H 3>>S+ 0 0 22 1,-0.2 4,-3.9 2,-0.2 5,-0.8 0.748 113.1 42.0 -55.0 -32.2 36.3 38.1 8.8 97 98 A R H <45S+ 0 0 13 -3,-1.0 6,-4.1 2,-0.2 -1,-0.2 0.783 113.4 50.6 -82.1 -33.8 34.6 39.3 5.6 98 99 A R H <5S+ 0 0 20 -4,-2.6 -2,-0.2 4,-0.3 4,-0.2 0.990 128.1 25.6 -61.0 -53.9 31.6 37.3 6.0 99 100 A H H <5S+ 0 0 76 -4,-4.0 -2,-0.2 3,-0.2 -3,-0.2 0.686 130.4 30.5 -87.4 -29.7 31.4 38.6 9.5 100 101 A V T <5S+ 0 0 70 -4,-3.9 -3,-0.2 -5,-0.1 -1,-0.1 0.607 131.7 33.6 -98.4 -28.4 33.0 41.9 10.0 101 102 A F S - 0 0 56 1,-0.1 4,-3.6 -2,-0.0 5,-0.2 -0.271 14.6-121.1 -83.2 164.8 26.8 37.7 1.6 105 106 A D H > S+ 0 0 66 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.909 119.6 48.9 -66.2 -37.3 26.7 34.2 0.4 106 107 A E H > S+ 0 0 138 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.953 111.7 48.0 -62.2 -57.3 25.3 35.6 -2.9 107 108 A L H > S+ 0 0 29 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.913 112.9 49.2 -55.7 -40.6 28.1 38.2 -3.0 108 109 A I H X S+ 0 0 1 -4,-3.6 4,-2.8 1,-0.2 -1,-0.2 0.907 107.8 53.5 -66.7 -34.5 30.6 35.5 -2.3 109 110 A G H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.3 -1,-0.2 0.806 107.0 51.6 -65.0 -34.5 29.3 33.2 -5.0 110 111 A Q H X S+ 0 0 64 -4,-2.3 4,-2.9 2,-0.2 -1,-0.3 0.810 107.2 53.2 -75.6 -29.8 29.6 35.9 -7.5 111 112 A K H X S+ 0 0 1 -4,-1.7 4,-3.5 -5,-0.2 5,-0.3 0.938 109.1 51.7 -70.7 -39.0 33.2 36.5 -6.5 112 113 A V H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.969 111.2 43.7 -60.2 -56.9 33.8 32.9 -7.0 113 114 A A H X S+ 0 0 33 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.917 116.8 47.9 -52.1 -44.9 32.3 32.8 -10.5 114 115 A H H X S+ 0 0 30 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.943 110.7 50.1 -61.3 -45.5 34.1 36.0 -11.5 115 116 A A H <>S+ 0 0 0 -4,-3.5 5,-2.0 -5,-0.2 -1,-0.2 0.926 113.1 47.8 -57.2 -44.0 37.5 34.9 -10.2 116 117 A L H ><5S+ 0 0 32 -4,-2.8 3,-2.6 -5,-0.3 -2,-0.2 0.945 107.5 53.5 -60.9 -52.6 37.2 31.6 -12.0 117 118 A A H 3<5S+ 0 0 86 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.811 109.3 50.7 -51.7 -36.6 36.2 33.2 -15.3 118 119 A E T 3<5S- 0 0 50 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.341 119.7-112.6 -81.5 -1.8 39.3 35.4 -15.1 119 120 A G T < 5 + 0 0 35 -3,-2.6 2,-0.3 1,-0.2 -3,-0.2 0.802 69.2 133.5 70.6 40.4 41.4 32.3 -14.5 120 121 A L < - 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0 0 33 -5,-1.4 4,-2.3 1,-0.1 3,-0.2 -0.910 30.7-120.1-166.7 149.1 35.5 77.3 14.9 445 198 B D H > S+ 0 0 98 -2,-0.3 4,-2.0 1,-0.2 -5,-0.1 0.757 117.1 56.6 -60.3 -33.8 35.6 80.2 12.5 446 199 B A H > S+ 0 0 59 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.841 105.6 45.6 -65.3 -45.6 39.2 79.3 12.1 447 200 B V H > S+ 0 0 18 2,-0.2 4,-2.2 -3,-0.2 -2,-0.2 0.903 113.5 51.9 -66.7 -46.1 38.6 75.8 11.1 448 201 B A H < S+ 0 0 4 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.847 113.5 44.8 -50.4 -47.1 36.0 77.0 8.7 449 202 B Q H < S+ 0 0 125 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.857 117.3 42.0 -65.3 -42.0 38.3 79.4 7.3 450 203 B S H < S+ 0 0 72 -4,-2.1 -2,-0.2 -5,-0.1 2,-0.2 0.784 94.1 95.0 -83.9 -31.1 41.2 77.1 6.9 451 204 B T < - 0 0 3 -4,-2.2 2,-0.3 -5,-0.1 -43,-0.1 -0.384 65.6-136.1 -74.1 130.0 39.5 74.0 5.6 452 205 B R - 0 0 27 -45,-0.5 -43,-2.2 -2,-0.2 2,-0.5 -0.630 10.5-163.7 -84.6 140.7 39.2 73.1 2.0 453 206 B I E -q 409 0D 0 -2,-0.3 21,-3.5 19,-0.2 2,-0.3 -0.992 15.6-167.5-126.9 113.1 35.9 71.8 0.6 454 207 B I E -q 410 0D 0 -45,-3.2 -43,-1.7 -2,-0.5 2,-0.5 -0.835 24.0-110.2-104.8 152.8 36.6 70.2 -2.7 455 208 B Y E -qr 411 476D 11 20,-3.0 22,-2.3 -2,-0.3 -43,-0.1 -0.671 25.3-174.9 -89.7 128.5 33.8 69.2 -5.2 456 209 B G + 0 0 13 -45,-2.8 -44,-0.1 -2,-0.5 -1,-0.1 0.220 54.9 98.5 -96.6 12.5 33.3 65.4 -5.7 457 210 B G S S- 0 0 9 -46,-0.2 2,-0.5 1,-0.2 22,-0.3 0.085 91.8 -49.0 -81.3-158.2 30.7 65.7 -8.5 458 211 B S - 0 0 96 -42,-0.1 2,-0.4 -45,-0.1 -1,-0.2 -0.679 62.4-179.5 -86.4 128.7 31.6 65.3 -12.2 459 212 B V + 0 0 7 -2,-0.5 22,-0.5 -3,-0.1 2,-0.3 -0.994 8.2 159.2-131.6 140.1 34.5 67.3 -13.4 460 213 B T >> - 0 0 48 -2,-0.4 4,-1.9 20,-0.1 3,-0.9 -0.796 60.4 -90.2-143.2 178.4 36.2 67.7 -16.7 461 214 B G T 34 S+ 0 0 27 -2,-0.3 4,-0.5 1,-0.3 -1,-0.0 0.901 127.2 56.8 -57.0 -39.0 38.4 70.0 -18.6 462 215 B G T 34 S+ 0 0 73 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.625 117.2 23.3 -68.0 -25.6 35.0 71.5 -19.6 463 216 B N T <> S+ 0 0 39 -3,-0.9 4,-2.0 2,-0.1 3,-0.5 0.558 99.0 93.5-115.1 -18.1 33.3 72.4 -16.2 464 217 B C H X S+ 0 0 4 -4,-1.9 4,-1.9 1,-0.2 30,-0.2 0.707 81.4 49.6 -41.8 -45.1 36.5 72.7 -14.2 465 218 B K H > S+ 0 0 141 -4,-0.5 4,-1.0 2,-0.2 -1,-0.2 0.877 111.0 46.3 -77.3 -37.2 37.0 76.5 -14.6 466 219 B E H > S+ 0 0 109 -3,-0.5 4,-0.6 1,-0.2 -2,-0.2 0.888 115.1 50.1 -64.5 -42.3 33.6 77.7 -13.6 467 220 B L H >< S+ 0 0 8 -4,-2.0 3,-1.8 1,-0.2 6,-0.3 0.968 107.2 50.7 -59.8 -52.6 33.7 75.3 -10.8 468 221 B A H 3< S+ 0 0 7 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.751 106.2 59.4 -60.7 -23.5 37.0 76.4 -9.5 469 222 B S H 3< S+ 0 0 74 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.632 79.8 105.7 -81.6 -14.1 35.7 79.9 -9.7 470 223 B Q S X< S- 0 0 41 -3,-1.8 3,-0.8 -4,-0.6 -44,-0.0 -0.430 77.0-126.9 -61.3 139.1 33.0 79.1 -7.3 471 224 B H T 3 S+ 0 0 154 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.1 0.636 100.8 37.5 -70.8 -18.7 33.8 80.7 -3.9 472 225 B D T 3 S+ 0 0 10 -20,-0.0 2,-0.6 2,-0.0 -1,-0.2 0.407 92.9 103.4-110.8 4.6 33.5 77.8 -1.5 473 226 B V < + 0 0 7 -3,-0.8 -19,-0.2 -6,-0.3 3,-0.1 -0.827 43.0 175.2 -88.4 114.7 34.9 75.4 -3.9 474 227 B D - 0 0 12 -21,-3.5 -220,-3.0 -2,-0.6 2,-0.3 -0.012 60.6 -53.5-106.0 19.8 38.6 74.6 -3.0 475 228 B G E -l 254 0D 0 -222,-0.3 -20,-3.0 -22,-0.3 2,-0.3 -0.937 65.1 -95.2 141.3-159.6 39.5 72.0 -5.5 476 229 B F E -lr 255 455D 0 -222,-2.7 -220,-3.3 -22,-0.4 2,-0.5 -0.963 6.4-130.7-153.3 167.5 38.0 68.7 -6.5 477 230 B L E -l 256 0D 9 -22,-2.3 2,-0.4 -2,-0.3 -220,-0.2 -0.967 42.0-154.8-126.9 102.6 38.0 64.9 -6.1 478 231 B V E +l 257 0D 1 -222,-3.0 -220,-5.1 -2,-0.5 -20,-0.1 -0.701 19.4 178.0 -91.6 130.6 38.1 63.8 -9.8 479 232 B G S > S+ 0 0 19 -2,-0.4 3,-2.9 -22,-0.3 4,-0.3 0.681 70.4 10.1 -92.2-110.5 36.9 60.6 -11.0 480 233 B G G > S+ 0 0 58 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.800 122.7 57.4 -38.1 -52.7 37.0 59.7 -14.7 481 234 B A G > S+ 0 0 8 -22,-0.5 3,-0.5 1,-0.3 6,-0.3 0.507 91.3 75.3 -66.4 -6.8 39.1 62.5 -15.9 482 235 B S G < S+ 0 0 0 -3,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.691 89.3 56.9 -81.3 -20.6 41.8 61.4 -13.5 483 236 B L G < S+ 0 0 51 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.601 107.3 64.6 -82.7 -6.7 42.6 58.5 -15.8 484 237 B K S X S- 0 0 119 -3,-0.5 3,-1.7 -4,-0.2 4,-0.2 -0.697 88.9-113.0-116.1 166.1 43.3 61.0 -18.6 485 238 B P T >> S+ 0 0 77 0, 0.0 3,-2.4 0, 0.0 4,-1.0 0.691 109.5 75.8 -65.7 -19.1 45.7 63.8 -19.6 486 239 B E H 3> S+ 0 0 54 1,-0.3 4,-3.6 2,-0.2 5,-0.3 0.744 80.4 76.7 -61.5 -19.2 42.7 66.3 -19.3 487 240 B F H <> S+ 0 0 1 -3,-1.7 4,-1.7 -6,-0.3 -1,-0.3 0.910 88.8 52.9 -56.8 -38.4 43.6 65.6 -15.7 488 241 B V H <> S+ 0 0 20 -3,-2.4 4,-1.9 1,-0.2 3,-0.5 0.949 107.9 51.6 -64.3 -43.4 46.5 68.0 -16.3 489 242 B D H < S+ 0 0 95 -4,-1.0 -2,-0.2 1,-0.3 -1,-0.2 0.908 109.6 49.1 -54.7 -43.9 44.0 70.5 -17.7 490 243 B I H >< S+ 0 0 0 -4,-3.6 3,-0.8 1,-0.2 4,-0.3 0.866 108.8 53.4 -66.6 -32.0 41.9 70.1 -14.5 491 244 B I H 3< S+ 0 0 1 -4,-1.7 2,-0.5 -3,-0.5 -1,-0.2 0.868 109.7 46.8 -72.2 -34.9 44.9 70.6 -12.3 492 245 B N T 3< S+ 0 0 56 -4,-1.9 -1,-0.3 -5,-0.1 3,-0.1 -0.568 85.1 108.2-105.0 59.6 45.9 73.8 -13.9 493 246 B A < + 0 0 9 -3,-0.8 2,-0.6 -2,-0.5 -2,-0.1 0.805 63.1 58.9 -93.8 -87.6 42.3 75.3 -13.8 494 247 B K 0 0 88 1,-0.3 -1,-0.2 -4,-0.3 -241,-0.1 -0.312 360.0 360.0 -43.2 89.3 42.3 78.1 -11.1 495 248 B H 0 0 204 -2,-0.6 -1,-0.3 -3,-0.1 -2,-0.2 0.847 360.0 360.0 43.0 360.0 45.0 80.2 -12.8