==== 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 ISOMERASE 04-NOV-02 1N55 . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MEXICANA; . AUTHOR I.KURSULA,R.K.WIERENGA . 249 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11099.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 70.7 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 . 19 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 3 2 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 0 146 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.5 1.5 4.5 10.2 2 3 A K - 0 0 67 1,-0.1 202,-0.1 225,-0.1 204,-0.1 -0.275 360.0-111.7 -60.3 150.7 5.2 3.6 10.9 3 4 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 201,-0.1 -0.187 58.1 -58.5 -70.5 172.4 6.7 4.9 14.1 4 5 A Q - 0 0 60 200,-0.1 32,-0.1 1,-0.1 224,-0.0 -0.323 64.7-124.0 -52.9 127.8 9.4 7.6 14.0 5 6 A P - 0 0 10 0, 0.0 32,-2.8 0, 0.0 2,-0.4 -0.283 17.7-145.3 -75.0 162.2 12.3 6.3 12.0 6 7 A I E -ab 37 229A 0 222,-1.9 224,-1.8 30,-0.2 2,-0.5 -0.990 10.9-169.0-126.9 137.1 15.9 6.0 13.2 7 8 A A E -ab 38 230A 0 30,-2.1 32,-2.2 -2,-0.4 2,-0.4 -0.972 20.2-172.3-122.1 111.2 19.1 6.5 11.2 8 9 A A E -ab 39 231A 1 222,-2.8 224,-3.0 -2,-0.5 2,-0.7 -0.925 16.3-151.4-117.5 131.4 22.1 5.4 13.4 9 10 A A E -ab 40 232A 0 30,-3.0 32,-3.0 -2,-0.4 2,-0.9 -0.874 6.3-168.7-100.9 108.9 25.8 5.7 12.6 10 11 A N E -a 41 0A 7 222,-3.1 226,-0.2 -2,-0.7 227,-0.1 -0.845 4.6-177.7 -96.0 98.1 28.0 3.0 14.2 11 12 A W - 0 0 1 30,-1.7 -1,-0.1 -2,-0.9 32,-0.1 0.599 19.5-165.6 -71.3 -11.9 31.4 4.5 13.6 12 13 A K - 0 0 39 29,-0.4 2,-1.5 1,-0.2 -1,-0.2 -0.210 60.0 -22.7 54.3-149.6 33.0 1.3 15.2 13 14 A C S S+ 0 0 114 29,-0.1 2,-0.3 30,-0.1 -1,-0.2 -0.553 110.6 108.9 -93.7 69.7 36.7 1.7 16.1 14 15 A N + 0 0 78 -2,-1.5 29,-0.4 -3,-0.1 2,-0.2 -0.998 33.7 74.4-146.7 144.2 37.4 4.6 13.7 15 16 A G - 0 0 36 -2,-0.3 2,-0.3 27,-0.1 3,-0.1 -0.437 38.2-141.4 137.0 154.3 38.2 8.3 13.7 16 17 A T > - 0 0 79 -2,-0.2 4,-2.7 1,-0.1 5,-0.3 -0.897 39.9-106.8-124.1 165.1 40.6 11.1 14.3 17 18 A T H > S+ 0 0 80 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.944 122.3 47.8 -57.2 -43.7 39.8 14.4 15.8 18 19 A A H > S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.906 112.6 46.3 -65.9 -41.7 40.3 16.0 12.4 19 20 A S H > S+ 0 0 56 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.894 114.2 48.5 -68.8 -37.0 38.1 13.4 10.6 20 21 A I H X S+ 0 0 4 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.907 108.9 52.5 -68.5 -44.2 35.4 13.6 13.1 21 22 A E H X S+ 0 0 77 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.927 112.7 46.1 -58.2 -42.3 35.4 17.4 13.1 22 23 A K H X S+ 0 0 156 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.929 115.1 45.0 -65.3 -46.2 35.0 17.4 9.4 23 24 A L H X S+ 0 0 18 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.911 111.5 52.4 -66.9 -42.4 32.3 14.7 9.3 24 25 A V H X S+ 0 0 2 -4,-3.0 4,-2.8 2,-0.2 31,-0.2 0.896 106.8 53.1 -60.3 -39.4 30.3 16.3 12.1 25 26 A Q H X S+ 0 0 103 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.923 108.3 51.0 -61.6 -42.1 30.4 19.6 10.2 26 27 A V H X S+ 0 0 36 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.922 112.6 46.4 -57.4 -46.2 28.9 17.8 7.2 27 28 A F H >< S+ 0 0 0 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.897 111.7 51.1 -65.3 -38.8 26.2 16.4 9.4 28 29 A N H 3< S+ 0 0 49 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.880 108.7 51.1 -64.8 -38.1 25.5 19.7 11.0 29 30 A E H 3< S+ 0 0 125 -4,-2.3 2,-0.9 -5,-0.2 -1,-0.2 0.606 87.9 93.0 -79.6 -11.9 25.1 21.5 7.7 30 31 A H S << S- 0 0 24 -4,-0.9 2,-0.6 -3,-0.5 -1,-0.0 -0.721 72.5-148.1 -85.5 107.1 22.6 18.9 6.4 31 32 A T - 0 0 125 -2,-0.9 2,-0.4 25,-0.0 -2,-0.1 -0.659 11.7-163.1 -85.2 120.4 19.3 20.4 7.2 32 33 A I + 0 0 14 -2,-0.6 4,-0.1 1,-0.1 26,-0.0 -0.850 14.5 175.7-102.4 133.0 16.7 17.6 8.0 33 34 A S + 0 0 118 -2,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.279 52.7 78.3-130.0 15.8 13.1 18.6 8.0 34 35 A H S S- 0 0 36 2,-0.0 2,-0.8 0, 0.0 215,-0.1 -0.785 92.7 -89.1-110.0 167.1 11.2 15.3 8.5 35 36 A D + 0 0 103 -2,-0.3 2,-0.3 214,-0.1 -2,-0.1 -0.627 69.0 135.2 -79.0 109.5 10.7 13.5 11.8 36 37 A V - 0 0 3 -2,-0.8 2,-0.8 -32,-0.1 -30,-0.2 -0.970 50.9-131.9-153.0 141.3 13.6 11.1 12.3 37 38 A Q E -a 6 0A 38 -32,-2.8 -30,-2.1 -2,-0.3 2,-0.3 -0.879 26.2-163.6 -94.3 111.9 15.9 10.3 15.2 38 39 A C E -ac 7 59A 0 20,-3.0 22,-1.7 -2,-0.8 2,-0.4 -0.741 6.2-167.7 -92.0 146.1 19.5 10.4 14.0 39 40 A V E -ac 8 60A 1 -32,-2.2 -30,-3.0 -2,-0.3 2,-0.4 -0.999 11.5-164.3-136.0 136.2 22.1 8.7 16.3 40 41 A V E -ac 9 61A 0 20,-2.2 22,-2.6 -2,-0.4 -30,-0.2 -0.994 2.9-169.6-120.9 129.4 25.9 8.9 16.2 41 42 A A E +a 10 0A 1 -32,-3.0 -30,-1.7 -2,-0.4 -29,-0.4 -0.866 15.4 173.8-116.6 93.6 27.9 6.2 18.1 42 43 A P - 0 0 1 0, 0.0 22,-0.4 0, 0.0 5,-0.1 -0.386 44.3 -77.0 -89.3 173.0 31.6 7.2 18.2 43 44 A T >> - 0 0 24 -29,-0.4 3,-1.4 -31,-0.1 4,-0.6 -0.321 50.6-104.2 -60.8 159.3 34.3 5.4 20.2 44 45 A F G >4 S+ 0 0 73 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.866 120.7 53.3 -55.1 -43.1 34.2 6.2 23.9 45 46 A V G 34 S+ 0 0 121 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.723 108.9 51.0 -70.1 -18.4 37.2 8.5 23.8 46 47 A H G <> S+ 0 0 25 -3,-1.4 4,-2.4 1,-0.1 -1,-0.3 0.425 82.2 93.5 -93.2 -4.9 35.5 10.6 21.0 47 48 A I H S+ 0 0 66 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.909 110.8 50.4 -61.2 -38.7 33.2 14.4 24.4 49 50 A L H > S+ 0 0 32 -4,-0.3 4,-1.8 2,-0.2 5,-0.2 0.936 112.8 45.9 -61.9 -47.0 34.4 15.8 21.0 50 51 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.924 110.9 53.2 -63.5 -40.3 31.2 14.8 19.4 51 52 A Q H < S+ 0 0 55 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.874 112.3 46.1 -59.5 -36.5 29.2 16.2 22.3 52 53 A A H < S+ 0 0 54 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.768 124.3 29.9 -72.6 -34.5 31.1 19.5 21.8 53 54 A K H < S+ 0 0 96 -4,-1.8 2,-0.4 -3,-0.2 -2,-0.2 0.730 93.3 90.2-103.4 -32.0 30.7 19.7 18.0 54 55 A L < + 0 0 14 -4,-3.0 -29,-0.1 -5,-0.2 7,-0.1 -0.617 37.2 152.9 -78.0 125.0 27.5 18.0 17.0 55 56 A R + 0 0 168 -2,-0.4 -1,-0.2 -31,-0.2 -30,-0.0 0.479 21.5 125.7-129.6 -8.5 24.6 20.5 16.9 56 57 A N > - 0 0 12 -32,-0.2 3,-2.0 1,-0.2 -28,-0.1 -0.355 58.9-137.8 -59.1 125.8 22.1 19.1 14.4 57 58 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.2 0, 0.0 -29,-0.0 0.672 96.6 64.2 -69.1 -12.5 18.9 19.0 16.4 58 59 A K T 3 S+ 0 0 53 -21,-0.1 -20,-3.0 -26,-0.0 2,-0.3 0.485 91.5 89.6 -83.3 -4.2 17.8 15.7 15.0 59 60 A Y E < +c 38 0A 21 -3,-2.0 2,-0.3 -22,-0.2 -20,-0.2 -0.731 45.8 179.9-103.2 149.1 20.8 13.8 16.6 60 61 A V E -c 39 0A 28 -22,-1.7 -20,-2.2 -2,-0.3 2,-0.4 -0.901 28.9-119.4-127.9 162.7 21.6 12.1 19.8 61 62 A I E -c 40 0A 27 -2,-0.3 28,-0.6 -22,-0.2 27,-0.5 -0.858 28.2-170.6-107.2 136.4 24.9 10.4 20.8 62 63 A S E -d 89 0A 0 -22,-2.6 28,-0.3 -2,-0.4 2,-0.2 -0.915 20.6-125.2-121.7 152.1 25.2 6.8 21.7 63 64 A A E -d 90 0A 0 26,-2.3 28,-2.2 -2,-0.3 -20,-0.1 -0.576 16.4-136.6 -82.5 159.5 27.8 4.5 23.1 64 65 A Q S S- 0 0 44 -22,-0.4 2,-0.3 1,-0.2 30,-0.3 0.497 80.7 -14.8 -91.2 -9.7 28.8 1.4 21.2 65 66 A N - 0 0 5 27,-0.1 2,-0.3 28,-0.1 -1,-0.2 -0.929 62.3-177.2-174.3 168.9 28.9 -0.8 24.3 66 67 A A - 0 0 0 -2,-0.3 2,-0.3 -3,-0.1 12,-0.2 -0.948 24.2-123.0-166.9 165.0 28.8 -0.6 28.1 67 68 A I B -i 78 0B 29 10,-2.1 12,-2.3 -2,-0.3 -2,-0.0 -0.790 30.8-120.0-106.5 160.5 29.0 -2.8 31.2 68 69 A A S S+ 0 0 24 -2,-0.3 2,-0.4 10,-0.2 10,-0.1 0.848 84.4 31.7 -71.7 -37.4 26.2 -2.5 33.7 69 70 A K S S- 0 0 111 10,-0.1 -1,-0.1 9,-0.1 2,-0.0 -0.946 72.8-119.0-131.8 143.9 28.0 -1.4 36.8 70 71 A S + 0 0 65 -2,-0.4 2,-0.3 8,-0.1 7,-0.1 -0.323 62.5 84.5 -67.2 158.2 31.0 0.6 37.9 71 72 A G S S- 0 0 62 2,-0.1 2,-2.1 -2,-0.0 7,-0.1 -0.991 84.4 -6.2 145.9-150.1 33.9 -1.0 39.7 72 73 A A S S+ 0 0 100 -2,-0.3 2,-0.3 1,-0.1 -2,-0.0 -0.451 80.7 122.9 -87.3 70.8 37.1 -3.0 39.3 73 74 A F > - 0 0 108 -2,-2.1 3,-2.4 3,-0.1 -1,-0.1 -0.668 52.4-151.4-132.1 69.5 36.8 -3.6 35.5 74 75 A T T 3 S+ 0 0 148 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 -0.214 79.3 13.9 -54.3 129.5 40.0 -2.1 34.1 75 76 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.163 103.4 108.2 94.3 -15.6 39.4 -0.9 30.5 76 77 A E < - 0 0 90 -3,-2.4 2,-0.4 -10,-0.0 -1,-0.3 -0.547 56.8-141.6 -99.3 161.1 35.6 -0.9 30.6 77 78 A V - 0 0 31 -2,-0.2 -10,-2.1 -3,-0.1 2,-0.2 -0.978 20.8-144.1-121.6 129.5 33.0 1.9 30.6 78 79 A S B > -i 67 0B 2 -2,-0.4 4,-2.2 -12,-0.2 -10,-0.2 -0.509 21.7-115.2 -96.2 163.0 29.8 1.5 32.7 79 80 A M H > S+ 0 0 0 -12,-2.3 4,-2.7 1,-0.2 5,-0.2 0.907 115.3 52.6 -60.7 -44.2 26.2 2.6 32.2 80 81 A P H > S+ 0 0 52 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.905 108.4 51.6 -61.1 -38.1 26.3 5.0 35.2 81 82 A I H > S+ 0 0 89 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.931 111.6 46.5 -62.2 -46.1 29.4 6.6 33.8 82 83 A L H X>S+ 0 0 5 -4,-2.2 5,-2.6 1,-0.2 4,-0.5 0.934 111.3 51.3 -60.3 -45.9 27.8 7.2 30.4 83 84 A K H ><5S+ 0 0 87 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.921 108.8 51.7 -59.4 -42.9 24.6 8.5 32.0 84 85 A D H 3<5S+ 0 0 143 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.841 108.2 50.6 -63.0 -35.9 26.5 11.0 34.1 85 86 A I H 3<5S- 0 0 82 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.468 126.9 -98.7 -85.3 3.3 28.4 12.3 31.0 86 87 A G T <<5S+ 0 0 49 -3,-1.2 2,-0.6 -4,-0.5 -25,-0.2 0.586 80.6 130.7 95.4 16.2 25.1 12.8 29.2 87 88 A V < + 0 0 1 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.902 17.5 163.0-103.4 118.9 25.0 9.7 27.0 88 89 A H + 0 0 83 -2,-0.6 33,-2.9 -27,-0.5 2,-0.4 0.177 53.6 76.0-125.0 18.9 21.6 8.0 27.3 89 90 A W E +de 62 121A 9 -28,-0.6 -26,-2.3 31,-0.2 2,-0.3 -0.964 55.3 177.5-121.4 146.1 21.7 5.7 24.2 90 91 A V E -de 63 122A 0 31,-1.8 33,-2.5 -2,-0.4 2,-0.5 -0.991 25.9-138.3-148.9 140.4 23.7 2.5 23.9 91 92 A I E - e 0 123A 2 -28,-2.2 2,-0.4 -2,-0.3 33,-0.2 -0.845 31.4-175.1 -89.3 130.1 24.2 -0.2 21.2 92 93 A L E + e 0 124A 1 31,-2.6 33,-2.6 -2,-0.5 -27,-0.1 -0.980 54.1 16.3-131.9 144.0 24.2 -3.6 22.8 93 94 A G S S+ 0 0 1 -2,-0.4 5,-0.1 31,-0.2 -1,-0.1 0.697 70.6 176.5 74.0 22.3 24.9 -7.0 21.4 94 95 A H >> - 0 0 8 -30,-0.3 4,-2.2 1,-0.1 3,-1.2 -0.250 42.3-114.0 -55.6 146.3 26.5 -6.0 18.2 95 96 A S H 3> S+ 0 0 15 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.824 115.5 59.7 -52.6 -38.3 27.6 -9.0 16.2 96 97 A E H 3> S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 5,-0.5 0.878 110.4 42.5 -62.4 -32.5 31.3 -8.0 16.6 97 98 A R H <> S+ 0 0 56 -3,-1.2 6,-2.0 2,-0.2 4,-1.1 0.868 113.2 51.2 -80.0 -35.7 30.9 -8.2 20.4 98 99 A R H < S+ 0 0 40 -4,-2.2 -2,-0.2 4,-0.2 4,-0.2 0.856 122.2 34.2 -61.4 -34.9 28.8 -11.5 20.2 99 100 A T H < S+ 0 0 83 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.885 132.2 22.8 -93.5 -47.8 31.6 -13.0 18.0 100 101 A Y H < S+ 0 0 161 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.692 125.7 42.7 -91.0 -30.9 34.9 -11.5 19.2 101 102 A Y S < S- 0 0 139 -4,-1.1 -3,-0.1 -5,-0.5 -1,-0.1 0.013 106.2-105.9-124.0 25.7 34.2 -10.4 22.8 102 103 A G + 0 0 52 -4,-0.2 2,-1.3 1,-0.2 -4,-0.2 0.613 56.6 159.0 77.1 9.6 32.1 -13.3 24.3 103 104 A E - 0 0 8 -6,-2.0 -1,-0.2 -9,-0.1 -2,-0.1 -0.597 18.0-173.6 -83.5 97.7 28.7 -11.7 24.4 104 105 A T > - 0 0 76 -2,-1.3 4,-2.8 1,-0.1 5,-0.3 -0.246 43.4 -96.5 -73.3 169.5 26.2 -14.6 24.6 105 106 A D H > S+ 0 0 57 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.870 128.0 50.7 -55.3 -42.3 22.5 -14.2 24.4 106 107 A E H > S+ 0 0 108 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.891 110.4 47.6 -63.3 -45.5 22.3 -14.2 28.2 107 108 A I H > S+ 0 0 73 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.925 114.7 46.9 -62.7 -45.6 25.1 -11.6 28.5 108 109 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.940 112.4 49.9 -60.4 -47.4 23.4 -9.4 25.9 109 110 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.905 110.8 49.3 -58.2 -43.7 20.0 -9.8 27.6 110 111 A Q H X S+ 0 0 75 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.930 111.4 48.9 -63.2 -44.4 21.4 -8.9 30.9 111 112 A K H X S+ 0 0 25 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.919 111.4 49.7 -59.3 -45.9 23.1 -5.8 29.5 112 113 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.932 111.2 49.4 -60.2 -43.3 19.9 -4.6 27.8 113 114 A S H X S+ 0 0 4 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.928 112.3 47.4 -62.5 -43.0 17.8 -5.1 31.0 114 115 A E H X S+ 0 0 24 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.902 110.8 51.9 -63.8 -42.2 20.3 -3.1 33.0 115 116 A A H <>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 -2,-0.2 0.927 109.2 49.6 -62.9 -41.0 20.5 -0.4 30.5 116 117 A C H ><5S+ 0 0 8 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.927 109.0 52.7 -63.4 -42.4 16.7 -0.0 30.4 117 118 A K H 3<5S+ 0 0 150 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.859 107.8 52.7 -59.1 -33.8 16.6 0.1 34.3 118 119 A Q T 3<5S- 0 0 41 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.340 124.1-103.6 -87.6 10.3 19.1 2.9 34.1 119 120 A G T < 5 + 0 0 36 -3,-1.7 2,-0.2 1,-0.2 -3,-0.2 0.683 69.4 145.9 83.9 18.3 17.0 4.9 31.7 120 121 A F < - 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0 0 15 -5,-2.1 4,-2.4 1,-0.1 5,-0.2 -0.656 23.0-106.1 158.1 156.9 1.6 -6.7 23.0 199 200 A T H > S+ 0 0 106 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.882 119.4 52.4 -67.6 -35.9 -0.1 -5.2 19.9 200 201 A D H > S+ 0 0 83 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.936 110.2 47.3 -66.3 -42.8 0.6 -1.7 21.2 201 202 A V H > S+ 0 0 17 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.913 110.6 52.6 -61.1 -49.1 4.3 -2.4 21.8 202 203 A A H < S+ 0 0 4 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.887 106.7 52.0 -60.5 -39.6 4.6 -3.9 18.3 203 204 A A H < S+ 0 0 64 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.823 116.3 40.1 -66.9 -29.4 3.1 -0.9 16.6 204 205 A K H < S+ 0 0 132 -4,-1.4 2,-0.3 -3,-0.4 -1,-0.2 0.592 90.4 110.0 -91.8 -16.7 5.5 1.5 18.3 205 206 A L < - 0 0 5 -4,-1.5 2,-0.6 -3,-0.2 -43,-0.1 -0.455 60.9-141.4 -70.6 128.5 8.7 -0.7 18.1 206 207 A R E -g 162 0A 33 -45,-0.5 -43,-2.4 -2,-0.3 2,-0.5 -0.786 16.1-171.7 -85.9 126.9 11.4 0.5 15.7 207 208 A I E -g 163 0A 0 -2,-0.6 21,-2.8 -45,-0.2 22,-0.3 -0.977 11.9-165.1-118.1 110.1 13.0 -2.5 14.0 208 209 A L E -g 164 0A 0 -45,-3.2 -43,-3.0 -2,-0.5 2,-0.4 -0.676 10.8-138.0 -95.9 151.9 16.1 -1.3 12.1 209 210 A Y E +gh 165 230A 0 20,-2.5 22,-1.8 -2,-0.3 2,-0.3 -0.880 24.9 173.9-103.8 142.2 18.0 -3.1 9.3 210 211 A G E + h 0 231A 0 -45,-2.2 22,-0.2 -2,-0.4 -40,-0.1 -0.990 29.2 94.9-144.1 160.3 21.8 -3.1 9.1 211 212 A G S S- 0 0 5 20,-0.6 -34,-0.6 -2,-0.3 -40,-0.3 0.356 102.0 -10.0 123.0 94.5 24.5 -4.7 7.1 212 213 A S S S+ 0 0 32 1,-0.2 -36,-0.3 -36,-0.1 2,-0.2 0.679 80.5 167.0 65.2 27.7 25.9 -2.9 4.1 213 214 A V + 0 0 6 18,-0.3 22,-0.4 4,-0.1 2,-0.3 -0.456 9.3 167.9 -65.7 137.4 23.3 -0.1 4.0 214 215 A N > - 0 0 58 -2,-0.2 4,-1.6 20,-0.1 3,-0.3 -0.870 50.6 -90.9-143.2 177.6 24.4 2.7 1.7 215 216 A A T 4 S+ 0 0 28 -2,-0.3 4,-0.4 1,-0.2 -2,-0.0 0.788 121.9 48.2 -64.4 -29.3 22.9 5.8 0.1 216 217 A A T 4 S+ 0 0 94 1,-0.1 4,-0.2 2,-0.1 -1,-0.2 0.773 117.7 37.4 -84.9 -24.8 21.8 3.9 -3.1 217 218 A N T > S+ 0 0 26 -3,-0.3 4,-1.3 -5,-0.1 -2,-0.2 0.571 95.8 83.3-100.4 -9.7 20.1 0.9 -1.4 218 219 A A H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 5,-0.2 0.883 83.9 53.8 -69.6 -42.8 18.5 2.7 1.6 219 220 A A H > S+ 0 0 58 -4,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.898 108.4 48.5 -63.6 -40.7 15.3 4.0 0.1 220 221 A T H 4 S+ 0 0 88 -4,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.827 112.2 50.2 -70.3 -29.1 14.1 0.8 -1.3 221 222 A L H >< S+ 0 0 2 -4,-1.3 3,-1.8 1,-0.2 -2,-0.2 0.937 109.7 50.9 -65.5 -47.3 14.7 -0.9 2.0 222 223 A Y H 3< S+ 0 0 21 -4,-2.7 -2,-0.2 1,-0.3 5,-0.2 0.794 96.0 70.6 -64.8 -24.2 12.8 1.8 3.8 223 224 A A T 3< S+ 0 0 81 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.681 77.2 99.1 -66.2 -18.4 9.8 1.4 1.5 224 225 A K S X S- 0 0 54 -3,-1.8 3,-1.4 -4,-0.3 -44,-0.0 -0.489 82.2-125.4 -72.7 143.5 9.1 -2.0 3.1 225 226 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.693 102.7 42.1 -71.1 -19.9 6.4 -1.8 5.7 226 227 A D T 3 S+ 0 0 22 -224,-0.1 2,-0.5 -20,-0.0 -19,-0.2 0.258 89.3 98.6-112.2 12.9 8.2 -3.3 8.7 227 228 A I < - 0 0 0 -3,-1.4 -19,-0.2 -6,-0.2 3,-0.1 -0.892 44.5-179.7-103.2 122.7 11.6 -1.5 8.3 228 229 A N - 0 0 1 -21,-2.8 -222,-1.9 -2,-0.5 2,-0.3 0.191 55.6 -63.1-112.3 19.4 11.9 1.6 10.5 229 230 A G E -b 6 0A 0 -22,-0.3 -20,-2.5 -224,-0.2 2,-0.3 -0.933 62.2 -67.3 130.0-159.4 15.4 2.8 9.6 230 231 A F E -bh 7 209A 0 -224,-1.8 -222,-2.8 -2,-0.3 2,-0.5 -0.955 4.4-147.4-143.6 145.8 19.0 1.7 9.7 231 232 A L E -bh 8 210A 2 -22,-1.8 -20,-0.6 -2,-0.3 2,-0.5 -0.990 37.9-165.4-109.8 117.6 22.1 0.8 11.7 232 233 A V E +b 9 0A 2 -224,-3.0 -222,-3.1 -2,-0.5 -22,-0.1 -0.931 20.9 168.9-119.3 125.4 24.9 1.9 9.4 233 234 A G S > S+ 0 0 18 -2,-0.5 3,-1.8 -224,-0.2 4,-0.4 0.757 74.8 17.1 -96.0 -94.6 28.6 1.0 9.7 234 235 A G G > S+ 0 0 50 1,-0.3 3,-1.4 2,-0.2 -20,-0.1 0.845 125.2 51.8 -54.6 -42.1 30.9 1.9 6.8 235 236 A A G > S+ 0 0 9 -22,-0.4 3,-1.3 1,-0.3 6,-0.5 0.702 97.6 69.0 -71.7 -14.8 28.7 4.4 5.1 236 237 A S G < S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.597 90.4 61.1 -81.2 -8.0 28.2 6.3 8.3 237 238 A L G < S+ 0 0 64 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.330 103.6 67.4 -87.6 3.6 31.9 7.4 8.2 238 239 A K S X S- 0 0 108 -3,-1.3 3,-2.1 -4,-0.1 4,-0.2 -0.798 95.0-106.4-126.6 162.2 31.1 9.2 4.9 239 240 A P T > S+ 0 0 65 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.764 107.8 79.3 -60.9 -22.9 29.0 12.1 3.6 240 241 A E T >> + 0 0 53 1,-0.3 4,-1.7 2,-0.2 3,-0.6 0.652 68.6 84.0 -65.4 -10.2 26.5 9.7 2.2 241 242 A F H <> S+ 0 0 0 -3,-2.1 4,-2.5 -6,-0.5 -1,-0.3 0.871 83.4 63.1 -57.3 -31.1 25.0 9.2 5.7 242 243 A R H <> S+ 0 0 96 -3,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.916 102.6 47.1 -56.2 -44.4 23.1 12.3 4.8 243 244 A D H <> S+ 0 0 77 -3,-0.6 4,-1.4 -4,-0.4 -1,-0.2 0.842 108.3 55.1 -69.3 -32.3 21.3 10.4 2.0 244 245 A I H < S+ 0 0 0 -4,-1.7 4,-0.3 2,-0.2 3,-0.3 0.935 108.4 48.8 -66.5 -41.6 20.6 7.5 4.3 245 246 A I H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.941 110.9 50.5 -56.8 -47.4 18.9 9.8 6.7 246 247 A D H >< S+ 0 0 34 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.763 96.8 69.8 -68.0 -20.3 16.9 11.3 3.8 247 248 A A T 3< S+ 0 0 16 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.550 87.7 66.7 -71.6 -7.8 15.9 7.8 2.7 248 249 A T T < 0 0 4 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.276 360.0 360.0 -93.4 8.7 13.7 7.6 5.8 249 250 A R < 0 0 213 -3,-1.6 -1,-0.2 -215,-0.1 -2,-0.1 0.688 360.0 360.0 -72.8 360.0 11.4 10.3 4.4