==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 03-JAN-12 3VCC . COMPND 2 MOLECULE: MANDELATE RACEMASE/MUCONATE LACTONIZING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PAENIBACILLUS SP.; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,F.GRONINGER-POE,J.A.GERLT,S.C.ALMO . 771 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30231.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 560 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 12.6 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 . 64 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 212 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.2 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 3 2 2 1 0 1 4 1 0 2 2 0 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 6 4 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 0 PARALLEL BRIDGES PER LADDER . 6 2 5 3 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 4 0 2 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 3 A L 0 0 60 0, 0.0 2,-0.7 0, 0.0 112,-0.1 0.000 360.0 360.0 360.0 129.5 -15.1 -11.8 -29.0 2 4 A N + 0 0 105 110,-0.6 3,-0.3 1,-0.1 81,-0.1 -0.850 360.0 168.1 -93.9 113.9 -13.3 -15.1 -29.7 3 5 A I > + 0 0 32 -2,-0.7 3,-1.2 1,-0.2 -1,-0.1 0.151 43.8 107.6-113.3 19.1 -13.2 -17.2 -26.5 4 6 A T T 3 S+ 0 0 125 1,-0.3 -1,-0.2 79,-0.0 -2,-0.0 0.710 78.4 56.6 -69.5 -19.0 -12.1 -20.5 -28.0 5 7 A G T 3 S+ 0 0 56 -3,-0.3 2,-0.6 2,-0.1 -1,-0.3 0.462 79.9 106.3 -92.4 -3.2 -8.6 -20.0 -26.4 6 8 A I < - 0 0 12 -3,-1.2 2,-0.2 2,-0.0 -3,-0.0 -0.689 68.2-137.0 -80.4 118.0 -10.0 -19.7 -22.9 7 9 A Q > - 0 0 106 -2,-0.6 3,-1.4 1,-0.1 69,-0.3 -0.478 10.5-128.1 -77.5 147.0 -9.2 -22.9 -20.9 8 10 A S T 3 S+ 0 0 76 1,-0.3 -1,-0.1 -2,-0.2 69,-0.1 0.675 105.3 60.9 -71.4 -17.1 -11.9 -24.3 -18.8 9 11 A D T 3 S+ 0 0 90 65,-0.1 2,-0.6 2,-0.1 -1,-0.3 0.581 74.6 109.3 -86.4 -7.7 -9.7 -24.4 -15.7 10 12 A W < - 0 0 23 -3,-1.4 65,-2.6 40,-0.1 66,-0.4 -0.575 52.8-178.1 -71.9 115.8 -9.1 -20.7 -15.7 11 13 A K B -A 74 0A 81 -2,-0.6 40,-1.3 63,-0.3 2,-0.5 -0.864 37.3-102.2-120.3 150.9 -11.0 -19.4 -12.6 12 14 A V E +B 50 0B 1 61,-2.7 60,-3.3 -2,-0.3 38,-0.2 -0.586 43.7 171.6 -65.7 116.3 -11.7 -16.1 -10.9 13 15 A E E + 0 0 60 36,-3.1 372,-1.3 -2,-0.5 2,-0.3 0.802 57.7 4.8-100.7 -37.6 -9.2 -16.1 -8.0 14 16 A K E -BC 49 384B 40 35,-1.5 35,-2.8 370,-0.2 2,-0.4 -0.995 50.7-166.7-150.8 146.8 -9.5 -12.7 -6.6 15 17 A I E +BC 48 383B 0 368,-2.4 368,-2.5 -2,-0.3 2,-0.3 -0.990 15.4 179.7-134.4 130.6 -11.5 -9.5 -7.0 16 18 A E E -BC 47 382B 9 31,-2.4 31,-2.9 -2,-0.4 2,-0.3 -0.968 8.4-158.2-134.6 149.6 -10.4 -6.2 -5.5 17 19 A F E +BC 46 381B 32 364,-2.7 364,-1.7 -2,-0.3 2,-0.3 -0.970 16.5 158.0-134.9 139.6 -11.9 -2.7 -5.6 18 20 A A E -B 45 0B 1 27,-2.7 27,-3.0 -2,-0.3 2,-0.6 -0.988 34.8-123.6-157.0 153.8 -10.7 0.8 -5.0 19 21 A K E -B 44 0B 104 -2,-0.3 2,-0.2 25,-0.2 25,-0.2 -0.887 26.4-158.3-102.7 120.0 -11.5 4.4 -5.9 20 22 A L E -B 43 0B 0 23,-2.9 23,-2.1 -2,-0.6 2,-0.3 -0.653 8.8-154.5 -94.5 155.3 -8.8 6.4 -7.7 21 23 A T E +B 42 0B 65 320,-0.3 320,-2.6 -2,-0.2 2,-0.2 -0.935 24.9 133.8-134.0 155.6 -8.6 10.2 -7.7 22 24 A G E -BD 41 340B 16 19,-2.7 19,-2.4 -2,-0.3 2,-0.3 -0.842 38.9 -99.0-169.4-157.7 -7.2 12.9 -9.8 23 25 A E E -BD 40 339B 108 316,-1.8 316,-2.7 17,-0.3 17,-0.2 -0.994 20.8-121.1-147.3 145.7 -8.0 16.3 -11.4 24 26 A R E - D 0 338B 10 15,-2.6 314,-0.2 -2,-0.3 3,-0.1 -0.561 34.8-114.1 -84.5 158.3 -9.1 17.7 -14.8 25 27 A A E S+ 0 0 51 312,-2.6 2,-0.4 -2,-0.2 -1,-0.1 0.834 100.9 23.7 -64.1 -32.8 -6.7 20.2 -16.4 26 28 A R E S- 0 0 43 311,-0.3 -1,-0.2 12,-0.1 311,-0.1 -0.999 92.6-106.5-136.2 133.9 -9.2 23.1 -16.1 27 29 A S E - 0 0 54 -2,-0.4 2,-0.5 1,-0.1 12,-0.2 -0.344 35.0-132.3 -59.6 135.1 -12.1 23.3 -13.6 28 30 A A E -B 38 0B 2 10,-2.5 10,-2.8 1,-0.1 9,-1.5 -0.798 20.1-154.5 -95.7 129.7 -15.5 22.8 -15.3 29 31 A G - 0 0 9 -2,-0.5 8,-0.9 7,-0.2 107,-0.2 0.231 36.9 -50.3 -82.3-153.9 -18.3 25.2 -14.7 30 32 A A B -F 135 0C 5 105,-0.7 105,-3.0 6,-0.2 5,-0.2 -0.182 46.5-154.1 -74.6 167.7 -22.1 24.8 -14.8 31 33 A N - 0 0 7 3,-2.2 144,-0.1 103,-0.2 139,-0.1 -0.713 45.3 -70.6-127.0-170.5 -24.1 23.4 -17.7 32 34 A G S S+ 0 0 2 137,-0.4 143,-0.2 173,-0.2 142,-0.1 0.790 127.7 21.1 -48.8 -36.3 -27.7 23.9 -18.8 33 35 A R S S+ 0 0 72 141,-0.1 2,-0.2 2,-0.1 -1,-0.2 0.726 120.9 32.4-112.7 -27.6 -29.3 22.1 -15.8 34 36 A I S S- 0 0 45 1,-0.2 -3,-2.2 594,-0.0 3,-0.1 -0.781 74.1 -97.4-134.1 174.4 -26.8 22.0 -12.9 35 37 A G - 0 0 37 -2,-0.2 -1,-0.2 -5,-0.2 -4,-0.1 0.171 66.8 -28.2 -82.4-164.6 -24.0 23.9 -11.2 36 38 A V - 0 0 111 1,-0.1 -7,-0.2 -6,-0.1 -6,-0.2 -0.144 43.4-161.9 -51.0 130.9 -20.2 23.9 -11.2 37 39 A H - 0 0 59 -9,-1.5 -8,-0.2 -8,-0.9 -1,-0.1 0.813 32.8-160.5 -86.8 -33.3 -18.7 20.5 -12.0 38 40 A G E -B 28 0B 16 -10,-2.8 -10,-2.5 1,-0.1 -1,-0.2 -0.406 26.2 -77.1 93.6-163.2 -15.3 21.3 -10.6 39 41 A K E S+ 0 0 73 -12,-0.2 -15,-2.6 -2,-0.1 2,-0.2 0.634 90.1 97.8-116.6 -26.1 -11.8 20.0 -11.0 40 42 A S E -B 23 0B 89 -17,-0.2 2,-0.3 -3,-0.1 -17,-0.3 -0.451 49.5-178.1 -74.7 138.0 -11.7 16.8 -8.8 41 43 A C E -B 22 0B 9 -19,-2.4 -19,-2.7 -2,-0.2 2,-0.3 -0.966 7.2-171.0-132.5 151.4 -12.3 13.5 -10.6 42 44 A T E -B 21 0B 46 270,-0.4 2,-0.4 -2,-0.3 272,-0.3 -0.957 8.4-159.9-137.3 158.9 -12.5 9.9 -9.5 43 45 A V E -B 20 0B 1 -23,-2.1 -23,-2.9 -2,-0.3 2,-0.5 -0.952 17.1-138.6-138.8 120.6 -12.6 6.5 -11.1 44 46 A D E -B 19 0B 56 -2,-0.4 15,-1.8 -25,-0.2 2,-0.4 -0.691 32.9-172.6 -77.5 122.0 -13.9 3.4 -9.4 45 47 A I E -BE 18 58B 2 -27,-3.0 -27,-2.7 -2,-0.5 2,-0.4 -0.895 17.3-163.0-122.8 140.4 -11.6 0.6 -10.3 46 48 A A E -BE 17 57B 0 11,-2.9 11,-1.9 -2,-0.4 2,-0.5 -0.953 7.0-154.4-117.3 150.8 -11.5 -3.2 -9.9 47 49 A R E -BE 16 56B 19 -31,-2.9 -31,-2.4 -2,-0.4 2,-0.4 -0.989 14.8-167.1-120.1 119.9 -8.6 -5.6 -10.2 48 50 A I E -BE 15 55B 0 7,-2.7 7,-2.2 -2,-0.5 2,-0.5 -0.881 7.6-154.5-108.2 143.7 -9.4 -9.1 -11.0 49 51 A T E +BE 14 54B 0 -35,-2.8 -36,-3.1 -2,-0.4 -35,-1.5 -0.983 17.8 171.2-119.0 125.4 -7.0 -12.1 -10.8 50 52 A I E > -BE 12 53B 0 3,-2.6 3,-1.9 -2,-0.5 -38,-0.2 -1.000 69.8 -13.1-134.0 129.9 -7.6 -15.1 -13.0 51 53 A D T 3 S- 0 0 57 -40,-1.3 -1,-0.1 -2,-0.4 3,-0.1 0.875 129.0 -52.3 43.3 46.5 -5.2 -18.0 -13.4 52 54 A G T 3 S+ 0 0 59 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.567 118.6 101.9 77.2 9.8 -2.4 -16.0 -11.7 53 55 A Q E < -E 50 0B 64 -3,-1.9 -3,-2.6 2,-0.0 2,-0.3 -0.951 60.6-135.4-129.7 145.6 -2.7 -12.9 -13.9 54 56 A T E -E 49 0B 49 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.717 14.2-172.7-107.1 152.2 -4.3 -9.6 -13.2 55 57 A G E -E 48 0B 0 -7,-2.2 -7,-2.7 -2,-0.3 2,-0.3 -0.995 9.9-155.9-135.8 145.5 -6.6 -7.3 -15.2 56 58 A Y E +E 47 0B 12 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.898 25.5 129.0-119.3 149.5 -7.7 -3.8 -14.3 57 59 A G E -E 46 0B 0 -11,-1.9 -11,-2.9 -2,-0.3 -2,-0.0 -0.972 56.0 -58.2-179.3 171.9 -10.8 -1.7 -15.3 58 60 A S E -E 45 0B 0 -2,-0.3 37,-0.5 -13,-0.2 2,-0.3 -0.278 49.8-174.6 -54.4 144.1 -13.7 0.5 -14.4 59 61 A S + 0 0 0 -15,-1.8 2,-0.3 36,-0.1 33,-0.2 -0.947 7.1 172.5-146.9 128.0 -16.2 -1.3 -12.1 60 62 A I + 0 0 29 31,-2.1 3,-0.1 -2,-0.3 33,-0.0 -0.896 60.7 24.7-129.3 162.3 -19.6 -0.1 -10.9 61 63 A H S S+ 0 0 125 -2,-0.3 2,-0.5 1,-0.2 31,-0.2 0.793 85.1 135.5 59.9 28.8 -22.5 -1.6 -8.9 62 64 A M - 0 0 16 -3,-0.1 -1,-0.2 29,-0.1 -3,-0.0 -0.944 31.3-176.0-113.4 127.4 -20.2 -4.2 -7.3 63 65 A T > - 0 0 68 -2,-0.5 4,-2.4 -3,-0.1 5,-0.2 -0.768 40.1-112.7-109.5 162.1 -20.3 -5.0 -3.6 64 66 A P H > S+ 0 0 32 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.886 119.7 55.2 -59.2 -35.3 -18.0 -7.3 -1.7 65 67 A E H > S+ 0 0 138 2,-0.2 4,-1.0 1,-0.2 -3,-0.0 0.875 108.6 47.1 -65.1 -39.3 -20.9 -9.7 -1.2 66 68 A W H >4 S+ 0 0 66 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.929 113.9 47.4 -64.0 -49.6 -21.6 -9.8 -5.0 67 69 A A H >X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 3,-1.5 0.848 102.7 63.3 -61.3 -35.5 -17.9 -10.4 -5.7 68 70 A E H 3< S+ 0 0 110 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.867 101.0 52.8 -61.2 -35.0 -17.7 -13.2 -3.1 69 71 A D T << S+ 0 0 92 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.615 107.3 52.3 -75.4 -13.6 -20.2 -15.2 -5.1 70 72 A V T X4 S+ 0 0 4 -3,-1.5 3,-2.3 -4,-0.4 -58,-0.3 0.739 81.2 105.7 -94.2 -26.7 -18.1 -14.9 -8.2 71 73 A I T 3< S+ 0 0 46 -4,-1.6 -58,-0.2 1,-0.3 3,-0.1 -0.298 85.8 22.8 -54.2 132.3 -14.8 -16.1 -6.8 72 74 A G T 3 S+ 0 0 41 -60,-3.3 -1,-0.3 1,-0.3 2,-0.1 0.271 90.8 130.1 92.4 -12.2 -14.1 -19.6 -8.0 73 75 A R < - 0 0 93 -3,-2.3 -61,-2.7 -61,-0.1 -1,-0.3 -0.474 65.0-109.2 -71.6 145.1 -16.3 -19.4 -11.1 74 76 A R B > -A 11 0A 106 -63,-0.2 3,-1.0 -2,-0.1 4,-0.4 -0.574 18.3-132.1 -73.0 137.1 -14.7 -20.4 -14.4 75 77 A L G > S+ 0 0 0 -65,-2.6 3,-2.1 1,-0.3 4,-0.3 0.911 107.0 59.9 -55.4 -44.8 -14.0 -17.5 -16.7 76 78 A L G > S+ 0 0 54 -66,-0.4 3,-1.5 -69,-0.3 -1,-0.3 0.831 97.4 60.9 -50.5 -35.1 -15.7 -19.4 -19.6 77 79 A D G < S+ 0 0 87 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.622 90.6 67.2 -75.9 -11.6 -18.9 -19.5 -17.6 78 80 A L G < S+ 0 0 0 -3,-2.1 8,-3.1 -4,-0.4 2,-0.3 0.553 94.8 79.1 -80.5 -8.0 -19.1 -15.7 -17.5 79 81 A F B < S-G 85 0D 6 -3,-1.5 6,-0.2 -4,-0.3 2,-0.1 -0.736 78.7-114.8-107.9 150.7 -19.7 -15.7 -21.3 80 82 A D > - 0 0 35 4,-3.5 3,-2.2 -2,-0.3 -1,-0.1 -0.282 35.5-108.2 -60.4 156.1 -22.6 -16.3 -23.7 81 83 A D T 3 S+ 0 0 155 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.583 126.5 58.1 -59.0 -10.8 -22.7 -19.2 -26.1 82 84 A R T 3 S- 0 0 178 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.304 124.8-104.7-103.7 6.6 -22.2 -16.3 -28.5 83 85 A G S < S+ 0 0 5 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.736 79.7 130.8 78.0 23.4 -19.0 -15.1 -26.8 84 86 A R - 0 0 84 1,-0.0 -4,-3.5 0, 0.0 -1,-0.3 -0.917 65.7-107.2-113.1 136.1 -20.6 -12.2 -25.1 85 87 A L B -G 79 0D 6 -2,-0.4 -6,-0.3 -6,-0.2 5,-0.1 -0.339 45.5-103.9 -60.9 133.9 -20.2 -11.4 -21.4 86 88 A R >> - 0 0 112 -8,-3.1 3,-2.1 1,-0.1 4,-0.6 -0.295 24.1-117.9 -62.8 143.5 -23.4 -12.3 -19.5 87 89 A E G >4 S+ 0 0 127 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.822 110.4 63.8 -47.3 -40.7 -25.5 -9.3 -18.5 88 90 A A G 34 S+ 0 0 66 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.725 109.3 38.4 -64.4 -21.5 -25.1 -10.2 -14.8 89 91 A Y G <>>S+ 0 0 24 -3,-2.1 4,-2.3 -11,-0.2 5,-0.6 0.474 91.4 92.3-105.6 -3.9 -21.3 -9.5 -14.9 90 92 A R H S+ 0 0 2 -37,-0.5 4,-2.9 -5,-0.4 5,-0.3 0.969 114.9 43.4 -68.7 -53.1 -13.5 -3.9 -18.1 96 98 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.897 117.8 49.1 -53.3 -39.8 -11.2 -5.9 -15.7 97 99 A V H X S+ 0 0 1 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.932 111.8 45.9 -69.3 -45.3 -12.1 -9.0 -17.7 98 100 A L H X S+ 0 0 6 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.896 114.3 49.3 -64.3 -40.1 -11.5 -7.5 -21.1 99 101 A D H X S+ 0 0 4 -4,-2.9 4,-2.7 -5,-0.2 -2,-0.2 0.939 111.4 51.0 -60.4 -44.9 -8.2 -6.1 -19.8 100 102 A W H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.3 5,-0.2 0.929 108.1 50.2 -56.8 -49.6 -7.4 -9.5 -18.4 101 103 A L H X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.902 111.5 49.9 -59.4 -39.8 -8.1 -11.2 -21.7 102 104 A G H X>S+ 0 0 0 -4,-2.0 5,-1.9 2,-0.2 4,-1.3 0.910 111.2 48.3 -65.9 -42.8 -5.8 -8.7 -23.5 103 105 A Q H <5S+ 0 0 61 -4,-2.7 -2,-0.2 258,-0.2 -1,-0.2 0.941 115.0 44.9 -58.6 -49.6 -3.0 -9.2 -21.0 104 106 A R H <5S+ 0 0 64 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.915 121.7 36.8 -66.4 -42.6 -3.2 -13.0 -21.3 105 107 A Q H <5S- 0 0 81 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.600 106.1-125.8 -84.4 -12.0 -3.4 -13.1 -25.1 106 108 A G T <5 + 0 0 49 -4,-1.3 -3,-0.2 1,-0.2 -4,-0.1 0.915 68.3 120.5 64.4 44.6 -1.0 -10.2 -25.5 107 109 A K < - 0 0 93 -5,-1.9 255,-2.6 -6,-0.2 -1,-0.2 -0.985 68.1-109.3-136.6 148.5 -3.5 -8.1 -27.6 108 110 A P B >> -h 362 0E 6 0, 0.0 3,-1.6 0, 0.0 4,-1.1 -0.497 37.0-115.0 -70.7 146.9 -5.1 -4.7 -27.3 109 111 A V H >> S+ 0 0 0 253,-2.3 4,-2.0 1,-0.3 3,-0.8 0.871 113.5 66.9 -51.5 -40.6 -8.9 -5.0 -26.6 110 112 A Y H 3> S+ 0 0 12 252,-0.3 4,-1.0 1,-0.3 -1,-0.3 0.839 102.5 47.1 -53.3 -32.4 -9.7 -3.4 -30.0 111 113 A D H <4 S+ 0 0 48 -3,-1.6 4,-0.4 1,-0.2 -1,-0.3 0.801 110.0 53.2 -77.1 -28.2 -8.2 -6.5 -31.7 112 114 A L H << S+ 0 0 17 -4,-1.1 -110,-0.6 -3,-0.8 -2,-0.2 0.804 121.0 29.6 -73.2 -29.5 -10.2 -8.8 -29.4 113 115 A V H < S+ 0 0 10 -4,-2.0 -2,-0.2 -112,-0.1 -1,-0.2 0.472 92.7 88.7-113.9 -4.4 -13.5 -7.2 -30.1 114 116 A S S < S- 0 0 31 -4,-1.0 -1,-0.1 -5,-0.3 -3,-0.1 0.858 75.1-144.1 -65.9 -33.8 -13.3 -5.8 -33.7 115 117 A G + 0 0 71 -4,-0.4 -1,-0.1 1,-0.2 -4,-0.1 0.635 42.2 164.6 72.5 14.4 -14.4 -9.0 -35.3 116 118 A A - 0 0 64 -5,-0.2 -1,-0.2 1,-0.1 4,-0.1 -0.264 30.2-172.3 -63.0 149.8 -12.0 -8.1 -38.1 117 119 A H + 0 0 169 -3,-0.1 -1,-0.1 2,-0.1 2,-0.1 0.611 59.8 87.7-115.1 -24.8 -10.9 -10.8 -40.6 118 120 A L S S- 0 0 129 1,-0.1 -2,-0.0 0, 0.0 0, 0.0 -0.440 97.6 -77.9 -76.8 152.1 -8.2 -8.9 -42.4 119 121 A E - 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0 0 19 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 -0.242 10.5-129.1 -66.4 154.4 -73.4 6.5 -7.2 747 361 B A + 0 0 74 -12,-0.1 3,-0.1 -251,-0.1 5,-0.1 0.094 66.9 128.0 -90.7 25.5 -73.7 3.7 -4.6 748 362 B T - 0 0 64 1,-0.1 -251,-0.2 -253,-0.1 -253,-0.1 -0.422 68.4 -79.0 -85.4 158.0 -74.7 1.3 -7.3 749 363 B P S > S- 0 0 46 0, 0.0 3,-1.6 0, 0.0 -258,-0.2 -0.062 94.9 -7.6 -56.3 152.0 -73.1 -2.2 -7.8 750 364 B G B 3 S-c 496 0N 0 -255,-2.3 -253,-2.3 1,-0.2 -252,-0.3 -0.357 132.5 -25.9 61.2-138.8 -69.8 -2.5 -9.7 751 365 B F T 3 S- 0 0 1 -307,-0.2 -1,-0.2 -255,-0.2 3,-0.1 0.393 84.4-120.5 -90.9 4.1 -68.6 0.8 -11.2 752 366 B G S < S+ 0 0 6 -3,-1.6 2,-0.5 1,-0.2 -17,-0.3 0.642 70.6 132.0 71.7 13.1 -72.2 2.1 -11.5 753 367 B I - 0 0 8 -4,-0.1 2,-0.9 -309,-0.1 -1,-0.2 -0.876 49.8-146.1 -97.5 124.1 -71.9 2.5 -15.2 754 368 B V E -P 732 0R 97 -22,-2.4 -22,-2.2 -2,-0.5 2,-0.2 -0.805 14.6-159.0 -96.3 103.6 -74.9 1.0 -17.0 755 369 B F E -P 731 0R 10 -2,-0.9 2,-1.2 -24,-0.2 -24,-0.2 -0.566 24.8-115.1 -79.9 145.9 -73.8 -0.5 -20.3 756 370 B D > - 0 0 69 -26,-2.5 4,-2.9 -2,-0.2 5,-0.3 -0.671 28.0-166.2 -79.7 96.8 -76.4 -1.0 -23.1 757 371 B D H > S+ 0 0 65 -2,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.841 85.5 52.1 -55.0 -37.0 -76.3 -4.8 -23.3 758 372 B E H > S+ 0 0 142 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.916 112.1 43.6 -69.9 -45.5 -78.2 -4.8 -26.6 759 373 B L H > S+ 0 0 45 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.934 114.7 50.3 -62.8 -45.9 -75.9 -2.2 -28.3 760 374 B V H X S+ 0 0 2 -4,-2.9 4,-3.2 1,-0.2 5,-0.2 0.913 108.6 51.3 -64.6 -40.5 -72.8 -4.0 -27.0 761 375 B T H X S+ 0 0 51 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.932 110.8 50.0 -59.8 -41.2 -73.9 -7.4 -28.2 762 376 B Y H X S+ 0 0 120 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.936 113.2 45.2 -61.3 -46.3 -74.5 -5.8 -31.6 763 377 B L H X>S+ 0 0 16 -4,-2.7 4,-2.8 2,-0.2 5,-1.0 0.891 111.4 52.9 -65.1 -41.7 -71.0 -4.3 -31.6 764 378 B I H X5S+ 0 0 4 -4,-3.2 4,-1.2 3,-0.2 -2,-0.2 0.953 114.5 42.3 -56.4 -50.1 -69.4 -7.5 -30.4 765 379 B N H <5S+ 0 0 125 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.884 119.6 43.0 -65.6 -40.1 -71.1 -9.4 -33.2 766 380 B R H <5S- 0 0 158 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.889 139.6 -8.3 -79.0 -42.6 -70.4 -6.8 -35.9 767 381 B S H <5S+ 0 0 84 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.324 119.4 62.6-144.4 10.1 -66.8 -5.7 -35.2 768 382 B G S <