==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRIOSEPHOSPHATE ISOMERASE 06-APR-99 1CI1 . COMPND 2 MOLECULE: PROTEIN (TRIOSEPHOSPHATE ISOMERASE); . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR X.-G.GAO,E.MALDONDO,R.PEREZ-MONTFORT,M.T.DE GOMEZ-PUYOU,A.GO . 497 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19448.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 77 15.5 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 . 42 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.8 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 4 7 3 0 0 0 0 0 4 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 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 . 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 4 A K 0 0 130 0, 0.0 202,-0.1 0, 0.0 204,-0.1 0.000 360.0 360.0 360.0 123.4 18.7 28.7 82.3 2 5 A P - 0 0 19 0, 0.0 201,-0.1 0, 0.0 202,-0.0 -0.300 360.0 -55.1 -78.4 168.6 15.5 29.9 80.7 3 6 A Q - 0 0 59 1,-0.1 32,-0.1 32,-0.1 224,-0.0 -0.161 65.5-123.7 -45.7 121.7 14.2 28.8 77.3 4 7 A P - 0 0 11 0, 0.0 32,-2.6 0, 0.0 2,-0.4 -0.272 18.9-145.9 -69.7 154.3 17.0 29.4 74.7 5 8 A I E -ab 36 228A 0 222,-2.0 224,-1.7 30,-0.2 2,-0.6 -0.986 9.9-166.7-127.3 132.9 16.5 31.5 71.6 6 9 A A E -ab 37 229A 0 30,-2.4 32,-2.6 -2,-0.4 2,-0.4 -0.960 18.6-175.1-117.5 109.0 18.0 30.9 68.1 7 10 A A E -ab 38 230A 2 222,-2.7 224,-3.3 -2,-0.6 2,-0.5 -0.906 14.4-154.3-113.9 137.7 17.5 34.0 66.0 8 11 A A E -ab 39 231A 1 30,-3.3 32,-2.7 -2,-0.4 2,-0.7 -0.932 4.4-168.6-110.4 121.8 18.4 34.5 62.3 9 12 A N E -a 40 0A 3 222,-3.7 226,-0.2 -2,-0.5 227,-0.1 -0.879 6.1-179.3-110.8 98.0 19.1 38.0 61.0 10 13 A W - 0 0 4 30,-1.6 -1,-0.1 -2,-0.7 310,-0.1 0.624 23.6-171.1 -71.0 -11.7 19.3 37.7 57.2 11 14 A K - 0 0 23 29,-0.5 2,-1.7 1,-0.2 -1,-0.2 -0.161 60.1 -15.8 51.5-147.2 20.0 41.5 57.1 12 15 A C B S+I 320 0B 0 308,-1.7 308,-2.7 -3,-0.1 2,-0.3 -0.521 114.4 98.4 -88.2 71.2 19.9 43.1 53.6 13 16 A N + 0 0 46 -2,-1.7 29,-0.4 306,-0.2 2,-0.1 -0.954 38.2 81.0-149.0 163.9 20.1 39.8 51.7 14 17 A G - 0 0 18 -2,-0.3 2,-0.3 27,-0.1 3,-0.1 -0.192 32.0-154.0 117.9 152.2 17.9 37.2 49.9 15 18 A S > - 0 0 22 1,-0.1 4,-3.1 -2,-0.1 3,-0.4 -0.960 37.2-107.6-153.6 157.2 16.1 36.3 46.8 16 19 A E H > S+ 0 0 72 -2,-0.3 4,-2.3 1,-0.2 -1,-0.1 0.948 121.2 48.6 -55.7 -50.3 13.1 34.1 46.1 17 20 A S H 4 S+ 0 0 95 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.763 116.3 44.7 -62.8 -24.7 15.3 31.4 44.5 18 21 A L H > S+ 0 0 82 -3,-0.4 4,-1.0 2,-0.1 -2,-0.2 0.864 115.5 44.7 -85.9 -39.0 17.6 31.5 47.5 19 22 A L H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 5,-0.3 0.822 99.3 67.7 -77.6 -33.8 15.0 31.6 50.3 20 23 A V H X S+ 0 0 37 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.947 107.1 38.4 -53.0 -56.9 12.7 28.9 49.1 21 24 A P H > S+ 0 0 59 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.910 115.8 53.7 -62.6 -40.5 15.1 26.0 49.6 22 25 A L H X S+ 0 0 11 -4,-1.0 4,-1.6 1,-0.2 -2,-0.2 0.913 110.3 46.2 -59.5 -44.1 16.5 27.5 52.8 23 26 A I H X S+ 0 0 3 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.848 109.4 57.2 -66.7 -33.7 13.0 27.8 54.2 24 27 A E H X S+ 0 0 118 -4,-1.9 4,-1.2 -5,-0.3 3,-0.3 0.934 105.8 48.2 -61.5 -47.7 12.4 24.2 53.1 25 28 A T H X S+ 0 0 56 -4,-2.5 4,-1.4 1,-0.2 3,-0.3 0.876 110.5 53.0 -59.9 -37.8 15.4 22.9 55.1 26 29 A L H < S+ 0 0 4 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.799 107.0 52.0 -67.1 -32.5 14.0 24.9 58.1 27 30 A N H < S+ 0 0 46 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.694 110.9 46.7 -78.6 -21.3 10.6 23.2 57.7 28 31 A A H < S+ 0 0 76 -4,-1.2 2,-0.6 -3,-0.3 -2,-0.2 0.712 87.8 96.8 -92.1 -24.8 12.1 19.7 57.7 29 32 A A < - 0 0 15 -4,-1.4 2,-0.8 -5,-0.2 -4,-0.0 -0.548 59.9-165.1 -69.4 112.9 14.4 20.2 60.7 30 33 A T - 0 0 114 -2,-0.6 2,-0.3 25,-0.0 -1,-0.1 -0.811 3.4-169.5-106.1 95.3 12.5 18.8 63.7 31 34 A F - 0 0 11 -2,-0.8 4,-0.1 1,-0.1 26,-0.0 -0.622 6.0-170.5 -81.7 140.4 14.0 20.0 66.9 32 35 A D + 0 0 143 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.780 56.6 81.6-102.4 -33.3 12.7 18.3 70.0 33 36 A H S S- 0 0 35 1,-0.1 2,-0.6 212,-0.0 215,-0.1 -0.274 97.0 -83.8 -72.9 161.4 14.1 20.3 72.9 34 37 A D S S+ 0 0 102 2,-0.0 2,-0.3 213,-0.0 -1,-0.1 -0.552 71.1 141.3 -69.4 111.9 12.4 23.5 74.2 35 38 A V - 0 0 2 -2,-0.6 2,-0.6 -32,-0.1 -30,-0.2 -0.977 44.4-139.1-155.0 138.1 13.8 26.3 71.9 36 39 A Q E -a 5 0A 39 -32,-2.6 -30,-2.4 -2,-0.3 2,-0.4 -0.892 22.2-161.0-103.0 119.5 12.3 29.4 70.4 37 40 A C E -ac 6 58A 0 20,-2.7 22,-1.4 -2,-0.6 2,-0.4 -0.791 7.9-174.2-101.9 144.4 13.4 30.0 66.8 38 41 A V E -ac 7 59A 2 -32,-2.6 -30,-3.3 -2,-0.4 2,-0.4 -0.998 8.0-166.8-139.8 132.2 13.2 33.4 65.1 39 42 A V E -ac 8 60A 0 20,-2.4 22,-2.6 -2,-0.4 -30,-0.2 -0.967 4.9-162.1-118.7 135.7 13.9 34.4 61.5 40 43 A A E +a 9 0A 2 -32,-2.7 -30,-1.6 -2,-0.4 -29,-0.5 -0.847 16.0 175.0-121.7 94.4 14.2 38.0 60.5 41 44 A P - 0 0 0 0, 0.0 22,-0.5 0, 0.0 -30,-0.1 -0.348 41.8 -83.6 -88.3 174.2 13.9 38.6 56.7 42 45 A T >> - 0 0 3 -29,-0.4 3,-1.1 20,-0.1 4,-0.8 -0.324 47.0-102.7 -71.1 163.2 13.8 41.9 54.9 43 46 A F G >4 S+ 0 0 9 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.891 123.0 54.6 -55.0 -42.3 10.4 43.7 54.8 44 47 A L G 34 S+ 0 0 0 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.739 111.9 44.7 -65.5 -23.1 9.9 42.6 51.1 45 48 A H G <> S+ 0 0 0 -3,-1.1 4,-1.8 1,-0.1 -1,-0.2 0.434 87.4 87.0-102.0 0.3 10.5 39.0 52.1 46 49 A I H S+ 0 0 14 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.929 111.3 39.5 -54.0 -50.0 5.2 37.9 53.1 48 51 A M H > S+ 0 0 23 -4,-0.3 4,-2.0 1,-0.2 5,-0.2 0.848 115.7 52.5 -70.1 -33.6 6.7 34.8 51.4 49 52 A T H X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 -1,-0.2 0.909 109.0 48.9 -67.5 -42.1 8.4 33.7 54.6 50 53 A K H < S+ 0 0 101 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.682 112.6 51.3 -70.8 -17.7 5.2 33.9 56.6 51 54 A A H < S+ 0 0 78 -4,-0.8 -2,-0.2 -5,-0.2 -1,-0.2 0.850 122.5 26.3 -86.4 -38.5 3.5 31.9 53.8 52 55 A R H < S+ 0 0 127 -4,-2.0 2,-0.8 -5,-0.1 -2,-0.2 0.775 92.7 95.9 -97.1 -32.1 6.0 29.1 53.6 53 56 A L < + 0 0 23 -4,-3.0 -29,-0.1 -5,-0.2 7,-0.1 -0.497 40.4 160.0 -66.2 106.1 7.6 28.8 57.0 54 57 A T + 0 0 103 -2,-0.8 -1,-0.2 -31,-0.2 -27,-0.0 0.479 26.3 120.5-107.7 -5.1 5.5 26.1 58.7 55 58 A N > - 0 0 16 1,-0.2 3,-2.6 2,-0.1 -27,-0.1 -0.488 55.5-148.8 -65.4 112.2 7.8 25.0 61.6 56 59 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.2 0, 0.0 -29,-0.0 0.660 94.7 63.7 -55.9 -19.5 5.8 25.6 64.8 57 60 A K T 3 S+ 0 0 59 -21,-0.1 -20,-2.7 -26,-0.0 2,-0.3 0.514 93.6 86.0 -83.8 -3.2 9.0 26.3 66.7 58 61 A F E < -c 37 0A 11 -3,-2.6 2,-0.3 -22,-0.2 -20,-0.2 -0.740 52.7-175.5-105.0 148.3 9.6 29.3 64.5 59 62 A Q E -c 38 0A 71 -22,-1.4 -20,-2.4 -2,-0.3 2,-0.4 -0.945 22.2-127.0-133.0 152.9 8.5 32.9 64.6 60 63 A I E -c 39 0A 15 -2,-0.3 28,-0.6 -22,-0.2 27,-0.6 -0.879 26.0-176.0-107.9 134.6 9.0 35.8 62.2 61 64 A A E -d 88 0A 0 -22,-2.6 28,-0.3 -2,-0.4 2,-0.3 -0.843 23.4-122.0-124.2 160.9 10.5 39.1 63.2 62 65 A A E -d 89 0A 0 26,-1.8 28,-2.7 -2,-0.3 -20,-0.1 -0.704 17.9-132.7 -97.2 153.9 11.2 42.4 61.4 63 66 A Q S S- 0 0 3 -22,-0.5 2,-0.3 -2,-0.3 30,-0.3 0.555 82.8 -17.8 -83.1 -7.7 14.7 43.8 61.3 64 67 A N - 0 0 2 260,-0.1 2,-0.3 27,-0.1 -1,-0.2 -0.964 59.8-177.1-177.9 175.2 13.5 47.2 62.3 65 68 A A - 0 0 0 -2,-0.3 2,-0.3 -3,-0.1 12,-0.2 -0.938 22.7-119.9-178.2 164.2 10.4 49.5 62.6 66 69 A I B -j 77 0C 12 10,-1.8 12,-1.9 -2,-0.3 13,-0.3 -0.846 31.2-110.5-117.1 158.8 9.3 53.0 63.6 67 70 A T S S+ 0 0 25 -2,-0.3 2,-0.3 10,-0.2 10,-0.1 0.703 88.3 17.7 -63.7 -27.1 6.9 54.0 66.4 68 71 A R S S- 0 0 151 10,-0.1 2,-0.1 8,-0.1 -1,-0.1 -0.987 71.8-110.9-148.1 158.1 3.9 55.3 64.3 69 72 A S + 0 0 43 -2,-0.3 2,-0.3 8,-0.1 194,-0.2 -0.419 66.0 76.0 -80.1 161.0 2.3 55.3 60.9 70 73 A G B S+K 262 0D 17 192,-2.5 2,-2.3 -2,-0.1 192,-1.6 -0.990 86.3 0.6 145.0-152.0 2.2 58.5 58.8 71 74 A A S S+ 0 0 43 -2,-0.3 2,-0.2 190,-0.2 190,-0.1 -0.429 82.2 119.6 -78.7 67.5 4.3 60.7 56.6 72 75 A F > - 0 0 49 -2,-2.3 3,-2.2 3,-0.1 -1,-0.1 -0.597 55.1-149.8-132.4 71.5 7.6 58.7 56.9 73 76 A T T 3 S+ 0 0 0 1,-0.3 3,-0.1 -2,-0.2 -2,-0.1 -0.095 77.1 11.6 -46.5 127.2 8.4 57.7 53.4 74 77 A G T 3 S+ 0 0 7 1,-0.3 -1,-0.3 240,-0.1 2,-0.2 0.233 103.5 107.4 90.0 -13.6 10.3 54.4 53.1 75 78 A E < - 0 0 8 -3,-2.2 2,-0.4 238,-0.1 -1,-0.3 -0.529 57.0-142.9 -97.5 164.1 9.8 53.3 56.7 76 79 A V - 0 0 1 -2,-0.2 -10,-1.8 -3,-0.1 2,-0.1 -0.991 18.6-141.7-125.5 133.9 7.6 50.6 58.2 77 80 A S B > -j 66 0C 0 -2,-0.4 4,-2.0 -12,-0.2 -10,-0.2 -0.484 22.3-116.8 -96.3 166.7 5.7 51.0 61.5 78 81 A L H > S+ 0 0 3 -12,-1.9 4,-2.3 1,-0.2 5,-0.1 0.819 116.3 55.6 -65.8 -31.6 5.0 48.7 64.4 79 82 A Q H > S+ 0 0 78 -13,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.883 107.1 47.3 -70.6 -38.4 1.3 49.1 63.7 80 83 A I H > S+ 0 0 3 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.909 113.4 49.2 -69.4 -39.9 1.6 48.0 60.1 81 84 A L H <>S+ 0 0 0 -4,-2.0 5,-2.1 1,-0.2 4,-0.3 0.899 110.3 51.5 -63.7 -41.6 3.7 45.1 61.2 82 85 A K H ><5S+ 0 0 118 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.890 105.0 53.9 -64.2 -42.3 1.1 44.2 63.9 83 86 A D H 3<5S+ 0 0 92 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.809 105.7 56.1 -63.2 -27.1 -1.8 44.2 61.4 84 87 A Y T 3<5S- 0 0 52 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.538 122.3-107.3 -82.2 -5.9 0.1 41.8 59.3 85 88 A G T < 5S+ 0 0 56 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.682 72.2 139.2 89.9 18.5 0.4 39.3 62.2 86 89 A I < + 0 0 7 -5,-2.1 -1,-0.3 1,-0.1 -2,-0.1 -0.833 20.3 171.5 -96.9 132.6 4.1 39.8 63.0 87 90 A S + 0 0 45 -27,-0.6 33,-2.3 -2,-0.4 2,-0.4 0.149 52.2 73.5-129.4 20.4 4.9 39.9 66.7 88 91 A W E +de 61 120A 8 -28,-0.6 -26,-1.8 31,-0.2 2,-0.3 -0.995 53.2 177.3-134.5 139.8 8.7 39.9 66.9 89 92 A V E -de 62 121A 0 31,-1.9 33,-2.3 -2,-0.4 2,-0.5 -0.992 24.8-139.3-148.9 138.6 11.1 42.8 66.1 90 93 A V E - e 0 122A 2 -28,-2.7 2,-0.4 -2,-0.3 33,-0.2 -0.838 31.5-176.6 -94.8 126.0 14.9 43.4 66.2 91 94 A L E + e 0 123A 2 31,-2.8 33,-2.2 -2,-0.5 -27,-0.1 -0.951 52.4 15.7-129.8 147.9 15.7 46.9 67.5 92 95 A G + 0 0 0 -2,-0.4 -1,-0.2 31,-0.2 -28,-0.1 0.799 69.6 179.9 68.9 30.5 18.9 48.9 68.0 93 96 A H >> - 0 0 3 -30,-0.3 4,-1.9 -3,-0.2 3,-1.2 -0.362 39.0-118.1 -60.8 143.3 21.1 46.7 65.8 94 97 A S H 3> S+ 0 0 8 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.855 114.2 60.7 -53.9 -35.0 24.6 48.2 65.8 95 98 A E H 3> S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 5,-0.5 0.860 107.5 44.2 -62.4 -32.9 24.3 48.7 62.1 96 99 A R H <> S+ 0 0 4 -3,-1.2 6,-1.3 3,-0.2 4,-0.9 0.824 113.1 52.6 -78.8 -30.9 21.4 51.0 62.6 97 100 A R H < S+ 0 0 28 -4,-1.9 -2,-0.2 4,-0.2 4,-0.2 0.894 117.9 35.2 -70.2 -42.2 23.1 52.7 65.4 98 101 A L H < S+ 0 0 102 -4,-2.9 -2,-0.2 -5,-0.2 3,-0.2 0.862 129.8 27.3 -82.4 -39.2 26.3 53.5 63.4 99 102 A Y H < S+ 0 0 141 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.1 0.794 124.6 39.4 -96.2 -32.1 24.9 54.1 59.9 100 103 A Y S < S- 0 0 63 -4,-0.9 -1,-0.1 -5,-0.5 -2,-0.1 -0.017 104.4-109.9-114.0 34.5 21.4 55.4 60.4 101 104 A G + 0 0 60 -4,-0.2 2,-1.0 1,-0.2 -4,-0.2 0.790 53.1 164.0 46.9 43.3 21.7 57.7 63.4 102 105 A E - 0 0 13 -6,-1.3 -1,-0.2 -8,-0.1 2,-0.1 -0.790 20.1-164.3 -93.2 104.3 19.8 55.6 65.9 103 106 A T > - 0 0 70 -2,-1.0 4,-2.5 1,-0.1 3,-0.3 -0.382 36.4 -99.8 -82.9 163.8 20.8 57.0 69.3 104 107 A N H > S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.886 126.4 49.8 -49.2 -41.6 20.3 55.3 72.6 105 108 A E H > S+ 0 0 118 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.870 108.0 51.1 -67.4 -39.3 17.2 57.5 73.1 106 109 A I H > S+ 0 0 58 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.910 112.7 47.2 -64.1 -42.9 15.7 56.7 69.7 107 110 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.914 108.7 53.3 -64.3 -45.8 16.1 53.0 70.4 108 111 A A H X S+ 0 0 2 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.887 108.2 52.9 -58.2 -37.4 14.6 53.3 73.8 109 112 A E H X S+ 0 0 91 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.960 110.3 46.2 -61.8 -52.1 11.6 55.0 72.1 110 113 A K H X S+ 0 0 14 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.895 112.6 49.7 -58.3 -44.6 11.2 52.1 69.6 111 114 A V H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.940 110.0 50.1 -62.7 -46.6 11.4 49.4 72.3 112 115 A A H X S+ 0 0 22 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.919 113.4 46.5 -58.2 -44.4 8.9 51.1 74.6 113 116 A Q H X S+ 0 0 76 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.935 112.5 49.7 -63.8 -46.5 6.4 51.4 71.7 114 117 A A H X>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 4,-0.5 0.931 110.0 50.2 -58.8 -48.1 7.0 47.8 70.6 115 118 A C H ><5S+ 0 0 3 -4,-3.0 3,-1.3 1,-0.2 -1,-0.2 0.917 111.5 48.2 -57.0 -45.9 6.5 46.4 74.1 116 119 A A H 3<5S+ 0 0 79 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.862 106.8 57.2 -62.2 -37.2 3.2 48.3 74.5 117 120 A A H 3<5S- 0 0 19 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.591 124.4-107.0 -70.5 -10.7 2.1 47.1 71.1 118 121 A G T <<5 + 0 0 43 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.569 68.9 148.1 95.8 10.6 2.6 43.6 72.4 119 122 A F < - 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0 0 9 -2,-0.5 35,-0.0 -10,-0.1 34,-0.0 -0.558 19.5-131.2 -76.4 135.1 1.1 76.6 47.1 427 180 B T > - 0 0 62 -2,-0.3 4,-1.7 1,-0.1 3,-0.4 -0.404 26.3-107.8 -77.7 159.9 -0.7 78.3 44.2 428 181 B P H > S+ 0 0 27 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.859 120.4 54.3 -57.8 -35.5 -0.2 76.9 40.7 429 182 B Q H > S+ 0 0 111 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.847 104.1 53.1 -66.8 -37.6 2.0 79.9 39.8 430 183 B Q H > S+ 0 0 58 -3,-0.4 4,-0.9 2,-0.2 -1,-0.2 0.889 112.4 46.3 -65.2 -38.3 4.3 79.3 42.7 431 184 B A H >X S+ 0 0 1 -4,-1.7 4,-2.1 1,-0.2 3,-0.8 0.940 111.9 49.1 -68.6 -49.1 4.8 75.8 41.6 432 185 B Q H 3X S+ 0 0 32 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.789 101.0 65.7 -62.1 -29.6 5.3 76.7 37.9 433 186 B E H 3X S+ 0 0 126 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.887 110.3 37.3 -61.0 -37.5 7.9 79.4 39.0 434 187 B V H S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-2.1 0.897 109.4 54.5 -65.8 -42.8 18.4 71.3 32.4 443 196 B R H <5S+ 0 0 137 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.777 118.0 35.0 -64.5 -26.4 17.8 72.7 28.9 444 197 B S H <5S+ 0 0 89 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.528 126.4 37.0-105.8 -8.2 21.1 74.8 29.1 445 198 B K H <5S+ 0 0 113 -4,-1.1 -3,-0.2 -3,-0.3 -2,-0.2 0.735 131.4 17.9-110.9 -37.4 23.2 72.4 31.0 446 199 B L T <5S- 0 0 39 -4,-2.4 2,-0.2 -5,-0.3 -3,-0.2 0.809 117.1 -66.6-106.4 -42.7 22.3 68.9 29.8 447 200 B G >< - 0 0 15 -5,-2.1 4,-2.0 1,-0.1 -1,-0.2 -0.777 22.7-111.4 159.6 156.0 20.5 69.4 26.5 448 201 B T H > S+ 0 0 107 -2,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.823 119.8 51.8 -75.3 -31.9 17.5 70.7 24.6 449 202 B D H > S+ 0 0 85 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.896 109.0 50.5 -69.5 -41.5 16.5 67.1 23.9 450 203 B I H >> S+ 0 0 20 1,-0.2 4,-1.7 2,-0.2 3,-0.6 0.950 109.8 48.9 -61.9 -51.5 16.7 66.2 27.6 451 204 B A H 3< S+ 0 0 4 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.857 107.1 56.0 -58.6 -37.6 14.6 69.1 28.7 452 205 B A H 3< S+ 0 0 53 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.805 116.6 35.1 -67.3 -29.2 11.8 68.4 26.2 453 206 B Q H << S+ 0 0 130 -4,-1.2 -1,-0.2 -3,-0.6 2,-0.2 0.586 91.9 109.7-100.2 -14.0 11.4 64.8 27.4 454 207 B L < - 0 0 6 -4,-1.7 2,-0.5 -5,-0.1 -43,-0.1 -0.442 59.2-143.2 -70.3 132.6 12.0 65.3 31.1 455 208 B R E -r 411 0E 30 -45,-0.5 -43,-2.7 -2,-0.2 2,-0.6 -0.827 12.9-170.0 -96.6 127.3 9.0 64.9 33.4 456 209 B I E -r 412 0E 0 -2,-0.5 21,-2.3 -45,-0.2 22,-0.3 -0.947 12.4-161.2-119.3 106.3 8.9 67.3 36.4 457 210 B L E -r 413 0E 0 -45,-3.8 -43,-3.0 -2,-0.6 2,-0.6 -0.589 17.7-123.3 -88.9 149.3 6.1 66.3 38.8 458 211 B Y E -rs 414 479E 1 20,-2.6 22,-2.2 -2,-0.2 -43,-0.2 -0.825 23.6-175.2 -92.8 123.0 4.6 68.5 41.4 459 212 B G + 0 0 9 -45,-3.3 -1,-0.1 -2,-0.6 -44,-0.1 0.008 47.1 103.7-108.9 28.6 4.9 66.9 44.9 460 213 B G S S- 0 0 7 1,-0.2 2,-0.8 -45,-0.1 22,-0.3 0.094 90.9 -44.6 -86.9-154.5 3.0 69.5 46.9 461 214 B S - 0 0 69 -45,-0.1 2,-0.4 20,-0.1 -1,-0.2 -0.698 68.1-178.9 -81.5 111.4 -0.5 69.1 48.3 462 215 B V + 0 0 6 -2,-0.8 22,-0.3 18,-0.1 2,-0.3 -0.932 10.2 159.0-118.8 136.0 -2.6 67.6 45.5 463 216 B T > - 0 0 22 -2,-0.4 4,-2.2 18,-0.1 3,-0.3 -0.881 56.4 -97.3-141.5 170.0 -6.3 66.8 45.5 464 217 B A T 4 S+ 0 0 43 -2,-0.3 4,-0.4 1,-0.2 26,-0.0 0.720 120.7 61.9 -63.8 -19.8 -9.0 66.3 42.8 465 218 B K T 4 S+ 0 0 176 1,-0.1 4,-0.2 2,-0.1 -1,-0.2 0.923 119.1 19.6 -72.4 -45.6 -10.0 70.0 43.5 466 219 B N T > S+ 0 0 35 -3,-0.3 4,-1.9 1,-0.1 5,-0.2 0.530 97.6 95.6-104.0 -8.9 -6.7 71.6 42.4 467 220 B A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.886 88.1 45.4 -49.5 -48.3 -5.2 68.8 40.3 468 221 B R H > S+ 0 0 124 -4,-0.4 4,-1.0 1,-0.2 -1,-0.2 0.890 110.1 53.5 -66.4 -39.5 -6.5 70.2 37.0 469 222 B T H 4 S+ 0 0 57 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.849 111.9 47.0 -64.7 -33.1 -5.5 73.8 37.8 470 223 B L H >< S+ 0 0 3 -4,-1.9 3,-1.9 1,-0.2 -2,-0.2 0.933 108.2 51.9 -73.6 -48.9 -1.9 72.6 38.5 471 224 B Y H 3< S+ 0 0 22 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.667 96.4 71.1 -63.7 -16.9 -1.4 70.4 35.4 472 225 B Q T 3< S+ 0 0 117 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.663 76.8 99.7 -74.1 -15.2 -2.5 73.3 33.2 473 226 B M S X S- 0 0 28 -3,-1.9 3,-1.2 -4,-0.2 -44,-0.0 -0.476 84.5-119.3 -71.7 143.1 0.8 75.1 34.0 474 227 B R T 3 S+ 0 0 154 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.835 103.3 37.7 -53.6 -44.7 3.4 74.7 31.2 475 228 B D T 3 S+ 0 0 20 -224,-0.1 2,-0.6 -43,-0.1 -1,-0.2 0.223 89.5 99.4-100.7 18.8 6.2 72.9 33.0 476 229 B I < + 0 0 0 -3,-1.2 -19,-0.2 -6,-0.2 3,-0.1 -0.911 41.7 178.2-105.6 118.2 4.2 70.5 35.3 477 230 B N - 0 0 1 -21,-2.3 -222,-2.0 -2,-0.6 2,-0.3 0.015 58.6 -54.5-107.8 27.3 4.0 67.0 33.9 478 231 B G E -m 255 0E 0 -22,-0.3 -20,-2.6 -224,-0.2 2,-0.3 -0.903 63.7 -69.6 137.9-166.2 2.1 65.3 36.7 479 232 B F E -ms 256 458E 0 -224,-1.9 -222,-3.2 -2,-0.3 2,-0.6 -0.925 3.1-149.7-138.3 158.8 2.0 64.7 40.4 480 233 B L E -m 257 0E 9 -22,-2.2 2,-0.3 -2,-0.3 -222,-0.2 -0.934 42.4-156.2-120.1 95.2 3.6 62.9 43.3 481 234 B V E -m 258 0E 1 -224,-3.4 -222,-2.7 -2,-0.6 -20,-0.1 -0.584 16.6-173.5 -85.5 139.4 0.5 62.5 45.5 482 235 B G > - 0 0 19 -22,-0.3 3,-2.3 -2,-0.3 4,-0.2 0.513 68.9 -7.8 -94.2-121.2 0.4 62.1 49.2 483 236 B G G > S+ 0 0 55 1,-0.3 3,-1.7 2,-0.2 -20,-0.1 0.730 123.6 67.0 -51.8 -31.5 -2.7 61.4 51.3 484 237 B A G > S+ 0 0 10 -22,-0.3 3,-0.9 1,-0.3 6,-0.3 0.656 89.9 69.0 -67.4 -13.3 -5.2 61.8 48.5 485 238 B S G < S+ 0 0 1 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.512 88.2 62.2 -82.7 -5.7 -3.7 58.7 46.9 486 239 B L G < S+ 0 0 31 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.1 0.218 100.5 68.7-100.5 12.5 -5.1 56.4 49.6 487 240 B K S X S- 0 0 102 -3,-0.9 3,-1.9 -215,-0.0 4,-0.2 -0.877 93.8-108.1-128.9 160.1 -8.7 57.4 48.6 488 241 B P T > S+ 0 0 85 0, 0.0 3,-1.8 0, 0.0 4,-0.4 0.706 109.3 77.0 -58.9 -22.2 -10.9 56.8 45.5 489 242 B E T >> S+ 0 0 48 1,-0.3 4,-1.3 2,-0.2 3,-0.7 0.647 72.0 81.9 -65.8 -13.1 -10.4 60.4 44.5 490 243 B F H <> S+ 0 0 1 -3,-1.9 4,-1.7 -6,-0.3 -1,-0.3 0.791 83.4 62.6 -61.5 -25.5 -6.9 59.5 43.2 491 244 B V H <> S+ 0 0 22 -3,-1.8 4,-2.0 1,-0.2 -1,-0.3 0.884 101.8 49.4 -65.6 -39.3 -8.7 58.3 40.1 492 245 B E H <> S+ 0 0 110 -3,-0.7 4,-1.1 -4,-0.4 -1,-0.2 0.786 106.6 55.8 -70.4 -30.1 -9.9 61.8 39.4 493 246 B I H < S+ 0 0 0 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.874 107.7 48.8 -70.5 -36.0 -6.4 63.1 39.9 494 247 B I H >< S+ 0 0 0 -4,-1.7 3,-1.8 1,-0.2 -2,-0.2 0.927 109.1 52.5 -67.4 -43.3 -5.1 60.8 37.2 495 248 B E H >< S+ 0 0 72 -4,-2.0 3,-1.8 1,-0.3 -1,-0.2 0.748 94.9 72.3 -63.0 -24.8 -8.0 61.9 34.9 496 249 B A T 3< S+ 0 0 12 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.568 89.0 61.7 -68.1 -9.4 -6.8 65.5 35.5 497 250 B T T < 0 0 3 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.320 360.0 360.0 -98.3 6.7 -3.8 64.8 33.4 498 251 B K < 0 0 140 -3,-1.8 -1,-0.2 -215,-0.1 -2,-0.1 0.632 360.0 360.0 -66.8 360.0 -5.9 64.1 30.3