==== 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 OXIDOREDUCTASE 07-APR-07 2YV3 . COMPND 2 MOLECULE: ASPARTATE-SEMIALDEHYDE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR W.KAGAWA,N.FUJIKAWA,H.KURUMIZAKA,Y.BESSHO,M.J.ELLIS,S.V.ANTO . 656 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25650.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 451 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 0.3 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 . 1 0.2 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 . 48 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.1 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 0 0 0 2 1 0 0 3 1 4 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 6 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 . 6 1 2 3 1 1 0 0 2 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 . 2 2 0 0 0 3 1 0 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 1 A M 0 0 71 0, 0.0 27,-0.9 0, 0.0 28,-0.6 0.000 360.0 360.0 360.0 93.2 20.7 31.8 13.3 2 2 A R - 0 0 108 25,-0.2 62,-1.9 26,-0.2 61,-1.0 -0.477 360.0-172.5 -66.2 130.0 21.4 34.0 16.3 3 3 A V E -a 64 0A 4 60,-0.2 28,-2.1 -2,-0.2 2,-0.3 -0.991 11.7-156.4-132.0 137.4 25.2 34.0 16.9 4 4 A A E -ab 65 31A 4 60,-3.6 62,-2.6 -2,-0.4 2,-0.5 -0.821 6.9-152.6-111.0 150.4 27.2 35.4 19.7 5 5 A V E > - b 0 32A 9 26,-3.4 28,-2.7 -2,-0.3 3,-1.7 -0.730 11.9-165.2-124.9 84.4 30.9 36.4 19.7 6 6 A V E 3 S+ b 0 33A 4 -2,-0.5 62,-1.9 1,-0.2 28,-0.2 -0.533 79.7 25.8 -68.0 124.3 32.3 36.0 23.1 7 7 A G T > S+ 0 0 8 26,-5.0 3,-1.8 -2,-0.3 -1,-0.2 0.281 74.5 166.6 105.4 -9.6 35.6 37.9 23.2 8 8 A A T < + 0 0 0 -3,-1.7 2,-0.3 25,-0.7 8,-0.2 0.473 65.3 55.1 2.3 -84.2 34.8 40.5 20.4 9 9 A T T 3 S+ 0 0 44 4,-0.2 -1,-0.3 29,-0.1 2,-0.1 0.335 90.1 97.6 -50.7 2.2 37.7 43.0 20.9 10 10 A G S <> S- 0 0 24 -3,-1.8 4,-2.7 -2,-0.3 5,-0.2 -0.275 89.0-100.2 -89.4 178.4 40.5 40.5 20.6 11 11 A A H > S+ 0 0 16 2,-0.2 4,-1.9 3,-0.2 5,-0.2 0.959 125.0 34.9 -62.6 -52.0 42.7 39.5 17.7 12 12 A V H > S+ 0 0 17 2,-0.2 4,-4.5 1,-0.2 3,-0.3 0.983 118.5 51.9 -65.6 -56.6 40.7 36.3 17.0 13 13 A G H > S+ 0 0 1 55,-0.4 4,-0.8 1,-0.3 -2,-0.2 0.865 111.5 48.4 -47.1 -42.4 37.4 37.9 17.9 14 14 A R H >X S+ 0 0 98 -4,-2.7 4,-1.1 2,-0.2 3,-0.5 0.891 115.0 43.0 -68.5 -39.7 38.1 40.8 15.6 15 15 A E H 3X S+ 0 0 21 -4,-1.9 4,-2.3 -3,-0.3 5,-0.5 0.883 104.2 68.3 -72.4 -34.0 39.1 38.5 12.7 16 16 A I H 3X S+ 0 0 0 -4,-4.5 4,-0.9 1,-0.2 -1,-0.2 0.786 98.1 52.3 -53.5 -27.3 36.1 36.4 13.7 17 17 A L H S+ 0 0 7 -4,-0.9 5,-2.0 -5,-0.5 -1,-0.2 0.833 116.2 39.6 -57.9 -30.4 32.3 35.7 9.3 21 21 A E H ><5S+ 0 0 76 -4,-1.3 3,-2.0 3,-0.2 -2,-0.3 0.939 114.6 52.4 -80.5 -51.4 31.6 38.6 7.1 22 22 A A H 3<5S+ 0 0 49 -4,-5.0 -2,-0.2 1,-0.3 -3,-0.2 0.621 107.9 49.8 -60.1 -22.9 33.8 37.4 4.1 23 23 A R T 3<5S- 0 0 104 -4,-2.5 -1,-0.3 -5,-0.2 -3,-0.1 0.368 111.9-122.5 -95.8 0.9 32.2 33.9 4.0 24 24 A N T < 5 - 0 0 129 -3,-2.0 -3,-0.2 -5,-0.3 -2,-0.1 0.933 34.2-159.9 57.0 47.8 28.8 35.7 4.0 25 25 A F < - 0 0 7 -5,-2.0 2,-1.3 -6,-0.3 -1,-0.2 -0.479 15.7-127.6 -63.9 118.1 27.9 33.7 7.1 26 26 A P + 0 0 65 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.521 43.1 163.7 -70.5 86.6 24.1 33.8 7.2 27 27 A L - 0 0 40 -2,-1.3 -25,-0.2 1,-0.1 3,-0.1 -0.199 32.1-163.2 -91.0-169.0 23.2 35.1 10.6 28 28 A S S S+ 0 0 93 -27,-0.9 2,-0.2 1,-0.5 -26,-0.2 0.316 81.3 32.2-139.8 -40.8 19.9 36.5 11.8 29 29 A E - 0 0 50 -28,-0.6 -1,-0.5 2,-0.0 2,-0.2 -0.566 67.4-149.6-114.4 177.5 21.3 38.1 14.9 30 30 A L + 0 0 62 -2,-0.2 2,-0.5 -3,-0.1 -26,-0.2 -0.781 20.2 173.3-155.9 99.6 24.6 39.7 15.7 31 31 A R E -b 4 0A 72 -28,-2.1 -26,-3.4 -2,-0.2 2,-0.5 -0.942 10.1-170.5-123.4 118.4 25.9 39.5 19.3 32 32 A L E -bc 5 52A 23 19,-0.5 21,-2.1 -2,-0.5 2,-0.4 -0.881 10.2-173.3-104.7 129.3 29.3 40.6 20.5 33 33 A Y E +bc 6 53A 19 -28,-2.7 -26,-5.0 -2,-0.5 -25,-0.7 -0.976 10.0 165.4-129.7 135.5 30.4 39.8 24.1 34 34 A A E - c 0 54A 2 19,-2.5 21,-1.6 -2,-0.4 -26,-0.0 -0.911 42.4 -96.2-137.6 162.8 33.5 40.8 26.1 35 35 A S > - 0 0 16 -2,-0.3 3,-1.8 19,-0.3 0, 0.0 -0.481 61.9 -81.6 -75.6 155.2 34.4 40.7 29.8 36 36 A P G > S+ 0 0 89 0, 0.0 3,-0.6 0, 0.0 4,-0.2 0.700 120.9 78.7 -23.4 -52.5 33.8 44.0 31.6 37 37 A R G 3 S+ 0 0 215 1,-0.3 2,-0.9 2,-0.1 3,-0.3 0.810 104.9 34.0 -28.6 -57.6 37.1 45.5 30.4 38 38 A S G < S+ 0 0 14 -3,-1.8 -1,-0.3 1,-0.2 3,-0.3 -0.698 79.0 136.3-103.6 76.9 35.4 46.3 27.1 39 39 A A S < S+ 0 0 52 -2,-0.9 2,-0.2 -3,-0.6 -1,-0.2 0.670 75.8 30.8 -93.8 -22.0 31.9 46.9 28.4 40 40 A G S S+ 0 0 70 -3,-0.3 2,-0.3 -4,-0.2 -1,-0.2 -0.612 89.0 107.5-142.4 79.7 31.4 50.0 26.2 41 41 A V - 0 0 62 11,-0.3 11,-0.7 -3,-0.3 2,-0.4 -0.957 50.8-130.9-147.8 159.2 33.2 49.9 22.9 42 42 A R E -G 51 0B 185 -2,-0.3 2,-0.1 9,-0.2 7,-0.0 -0.951 16.1-177.6-126.5 138.7 32.2 49.4 19.2 43 43 A L E -G 50 0B 17 7,-1.8 7,-1.1 -2,-0.4 2,-0.4 -0.288 28.1-111.4-107.7-163.1 33.4 47.2 16.4 44 44 A A E +G 49 0B 56 5,-0.2 2,-0.3 -2,-0.1 5,-0.2 -0.995 29.2 172.1-144.9 135.5 32.2 47.1 12.8 45 45 A F E > S-G 48 0B 20 3,-3.6 3,-3.4 -2,-0.4 -27,-0.1 -0.991 76.5 -4.7-141.0 144.2 30.4 44.6 10.8 46 46 A R T 3 S- 0 0 103 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.782 126.5 -66.5 40.9 28.5 28.9 44.9 7.3 47 47 A G T 3 S+ 0 0 63 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.248 116.8 117.7 80.2 -14.0 30.1 48.5 7.7 48 48 A E E < -G 45 0B 101 -3,-3.4 -3,-3.6 1,-0.0 -1,-0.3 -0.647 69.4-119.4 -87.7 140.5 27.5 48.8 10.3 49 49 A E E -G 44 0B 148 -2,-0.3 -5,-0.2 -5,-0.2 -1,-0.0 -0.605 30.2-168.8 -81.2 137.2 28.6 49.6 13.9 50 50 A I E -G 43 0B 23 -7,-1.1 -7,-1.8 -2,-0.3 -19,-0.1 -0.990 16.9-122.6-131.7 138.2 27.7 47.0 16.6 51 51 A P E -G 42 0B 71 0, 0.0 -19,-0.5 0, 0.0 2,-0.5 -0.230 15.4-133.1 -74.0 164.2 27.9 47.3 20.5 52 52 A V E -c 32 0A 3 -11,-0.7 -11,-0.3 -13,-0.1 -19,-0.2 -0.920 18.5-155.9-123.6 102.1 29.9 44.9 22.8 53 53 A E E -c 33 0A 77 -21,-2.1 -19,-2.5 -2,-0.5 2,-0.2 -0.476 19.8-119.8 -77.7 144.6 28.0 43.7 25.8 54 54 A P E -c 34 0A 51 0, 0.0 -19,-0.3 0, 0.0 -15,-0.1 -0.549 45.3 -88.0 -79.4 154.5 29.9 42.6 28.9 55 55 A L - 0 0 20 -21,-1.6 2,-0.5 -2,-0.2 -22,-0.0 -0.503 41.1-143.2 -70.4 124.5 29.3 39.0 29.8 56 56 A P - 0 0 69 0, 0.0 2,-4.2 0, 0.0 4,-0.2 -0.766 20.1-121.0 -89.0 120.7 26.2 38.5 32.1 57 57 A E S S+ 0 0 161 -2,-0.5 -2,-0.0 1,-0.1 20,-0.0 -0.245 94.7 73.4 -58.8 68.3 26.5 35.8 34.8 58 58 A G S S- 0 0 40 -2,-4.2 2,-0.1 2,-0.1 -1,-0.1 -0.284 89.8-107.8 168.9 100.8 23.4 34.2 33.2 59 59 A P + 0 0 45 0, 0.0 -2,-0.1 0, 0.0 22,-0.0 -0.044 49.2 177.5 -36.8 95.3 23.0 32.2 29.8 60 60 A L - 0 0 131 -4,-0.2 -2,-0.1 -2,-0.1 21,-0.0 -0.920 28.7 -30.6-176.3 148.1 21.2 34.1 27.0 61 61 A P + 0 0 36 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.020 68.9 106.0-137.7 91.7 20.2 34.2 24.2 62 62 A V - 0 0 19 19,-0.1 -59,-0.2 1,-0.1 3,-0.1 -0.959 44.5-152.6-145.0 155.0 21.9 32.5 21.2 63 63 A D S S+ 0 0 51 -61,-1.0 24,-2.7 -2,-0.3 2,-0.4 0.832 94.6 21.2 -76.9 -40.2 21.9 29.7 18.6 64 64 A L E -ad 3 87A 0 -62,-1.9 -60,-3.6 22,-0.3 2,-0.5 -0.998 63.1-162.0-138.5 137.5 25.7 29.7 18.2 65 65 A V E -ad 4 88A 2 22,-3.2 24,-2.5 -2,-0.4 2,-0.9 -0.959 1.2-166.5-122.3 116.1 28.5 30.9 20.4 66 66 A L E - d 0 89A 0 -62,-2.6 2,-0.4 -2,-0.5 24,-0.2 -0.771 17.9-159.7-104.6 91.2 32.0 31.5 19.0 67 67 A A E + d 0 90A 3 22,-2.2 24,-3.2 -2,-0.9 25,-0.3 -0.568 34.6 147.8 -78.9 124.9 34.2 31.8 22.0 68 68 A S + 0 0 22 -62,-1.9 -55,-0.4 -2,-0.4 -56,-0.2 -0.302 43.6 106.6-144.4 44.8 37.7 33.5 21.7 69 69 A A S > S- 0 0 23 1,-0.4 4,-0.6 -57,-0.1 5,-0.3 -0.372 85.0 -84.0-128.1 55.4 37.9 35.0 25.2 70 70 A G H > - 0 0 47 1,-0.2 4,-1.3 2,-0.1 -1,-0.4 0.231 42.4 -90.2 67.0 166.0 40.4 33.0 27.3 71 71 A G H > S+ 0 0 18 2,-0.2 4,-2.7 3,-0.2 5,-0.4 0.631 114.9 75.3 -87.4 -15.7 39.9 29.8 29.2 72 72 A G H > S+ 0 0 62 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.995 109.0 28.3 -56.5 -63.0 39.0 31.6 32.4 73 73 A I H X S+ 0 0 35 -4,-0.6 4,-2.7 1,-0.2 5,-0.3 0.899 122.5 52.1 -66.5 -43.3 35.6 32.5 31.0 74 74 A S H X S+ 0 0 4 -4,-1.3 4,-2.4 -5,-0.3 -1,-0.2 0.909 107.7 49.8 -61.8 -44.2 35.2 29.4 28.7 75 75 A R H < S+ 0 0 125 -4,-2.7 4,-0.2 1,-0.2 -1,-0.2 0.917 119.2 43.9 -58.7 -37.2 36.1 26.9 31.4 76 76 A A H < S+ 0 0 59 -4,-1.4 -2,-0.3 -5,-0.4 -1,-0.2 0.770 125.0 27.1 -77.6 -31.8 33.4 28.9 33.4 77 77 A K H X S+ 0 0 33 -4,-2.7 4,-1.9 2,-0.1 5,-0.2 0.684 86.1 97.5-109.5 -22.8 30.7 29.3 30.7 78 78 A A H >X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.3 3,-1.2 0.855 94.0 35.5 -31.5 -75.9 30.8 26.5 28.2 79 79 A L H 3> S+ 0 0 87 1,-0.3 4,-1.9 -4,-0.2 5,-0.3 0.892 110.8 62.5 -49.8 -48.8 28.1 24.2 29.6 80 80 A V H 3> S+ 0 0 47 -4,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.841 110.9 41.4 -47.2 -36.7 25.9 27.2 30.8 81 81 A W H X<>S+ 0 0 31 -4,-1.9 5,-1.5 -3,-1.2 3,-1.0 0.957 110.2 49.6 -79.8 -55.9 25.6 28.2 27.1 82 82 A A H ><5S+ 0 0 21 -4,-1.8 3,-0.5 1,-0.3 -2,-0.2 0.730 108.0 60.5 -57.8 -20.4 25.1 24.9 25.2 83 83 A E H 3<5S+ 0 0 155 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.864 95.2 58.3 -74.0 -37.2 22.5 24.2 27.8 84 84 A G T <<5S- 0 0 57 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.517 133.3-100.7 -68.3 -0.8 20.7 27.3 26.7 85 85 A G T < 5S+ 0 0 51 -3,-0.5 2,-0.4 1,-0.3 -3,-0.2 0.726 79.3 140.2 87.8 24.5 20.8 25.4 23.4 86 86 A A < - 0 0 7 -5,-1.5 2,-0.5 -22,-0.1 -1,-0.3 -0.826 54.3-124.9-100.3 137.7 23.7 27.3 21.9 87 87 A L E -d 64 0A 14 -24,-2.7 -22,-3.2 -2,-0.4 2,-0.6 -0.712 30.5-146.7 -80.1 127.7 26.3 25.4 19.9 88 88 A V E +de 65 119A 0 30,-1.8 32,-2.9 -2,-0.5 2,-0.6 -0.865 23.6 175.9-110.4 118.4 29.7 26.2 21.4 89 89 A V E -de 66 120A 0 -24,-2.5 -22,-2.2 -2,-0.6 2,-0.5 -0.967 14.6-170.0-112.9 117.5 32.9 26.5 19.5 90 90 A D E -de 67 121A 1 30,-1.9 32,-2.9 -2,-0.6 -22,-0.2 -0.944 22.6-166.6-116.0 128.5 35.8 27.6 21.7 91 91 A N + 0 0 31 -24,-3.2 -23,-0.1 -2,-0.5 2,-0.1 0.379 68.2 91.9 -87.9 2.7 39.2 28.7 20.4 92 92 A S S S- 0 0 13 -25,-0.3 2,-0.8 -22,-0.2 3,-0.3 -0.373 85.9-114.2 -90.0 174.7 40.6 28.4 24.0 93 93 A S S S+ 0 0 20 1,-0.2 -22,-0.1 2,-0.1 -18,-0.1 -0.834 84.2 99.9-110.8 86.6 42.2 25.4 25.6 94 94 A A S S+ 0 0 4 -2,-0.8 -1,-0.2 -4,-0.1 27,-0.0 0.475 94.2 21.4-135.5 -38.5 39.7 24.6 28.2 95 95 A W S > S+ 0 0 23 -3,-0.3 3,-1.3 -5,-0.1 6,-0.3 0.397 95.9 98.0-115.6 -1.9 37.7 21.8 26.7 96 96 A R T 3 S+ 0 0 8 1,-0.3 2,-0.3 -4,-0.2 25,-0.1 0.903 86.4 43.2 -52.9 -53.2 40.2 20.5 24.1 97 97 A Y T 3 S+ 0 0 63 3,-0.0 -1,-0.3 2,-0.0 -4,-0.0 -0.140 90.1 115.4 -90.6 39.9 41.7 17.6 26.1 98 98 A E X - 0 0 56 -3,-1.3 3,-2.5 -2,-0.3 -3,-0.0 -0.956 67.1-134.4-118.6 122.9 38.3 16.5 27.4 99 99 A P T 3 S+ 0 0 139 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.483 102.9 50.4 -44.0 -14.6 36.8 13.0 26.4 100 100 A W T 3 S+ 0 0 124 -5,-0.1 17,-0.3 1,-0.1 19,-0.2 0.511 96.8 78.1-108.9 -6.2 33.4 14.4 25.6 101 101 A V S < S- 0 0 3 -3,-2.5 -3,-0.2 -6,-0.3 2,-0.2 -0.909 74.0-132.2-111.5 127.1 34.4 17.3 23.3 102 102 A P - 0 0 14 0, 0.0 19,-2.9 0, 0.0 2,-0.7 -0.511 9.3-149.0 -75.4 138.4 35.4 16.9 19.6 103 103 A L B -f 121 0A 4 -2,-0.2 2,-0.3 17,-0.2 19,-0.2 -0.939 32.9-171.0-107.6 105.8 38.6 18.6 18.5 104 104 A V + 0 0 0 17,-1.5 218,-0.1 -2,-0.7 6,-0.1 -0.791 38.1 175.5-116.0 147.6 37.9 19.5 14.9 105 105 A V > - 0 0 0 -2,-0.3 3,-3.3 112,-0.2 4,-0.4 -0.940 34.5-136.7-137.9 109.3 39.6 20.8 11.7 106 106 A P T 3 S+ 0 0 18 0, 0.0 4,-0.4 0, 0.0 5,-0.1 0.636 102.2 62.2 -42.7 -23.1 37.0 20.5 8.8 107 107 A E T 3 S+ 0 0 50 2,-0.1 -3,-0.0 3,-0.1 157,-0.0 0.756 119.7 22.6 -77.6 -21.9 39.7 19.2 6.5 108 108 A V S < S+ 0 0 14 -3,-3.3 2,-0.5 2,-0.0 3,-0.3 0.713 132.4 9.9-105.0 -94.3 40.0 16.2 8.7 109 109 A N > + 0 0 6 -4,-0.4 3,-3.7 108,-0.2 4,-0.4 -0.183 61.8 144.4 -91.9 42.7 37.3 15.0 11.1 110 110 A R G > + 0 0 74 -2,-0.5 3,-2.0 -4,-0.4 4,-0.5 0.817 69.6 75.9 -44.4 -32.5 34.3 17.1 10.2 111 111 A E G > S+ 0 0 117 -3,-0.3 3,-0.9 1,-0.3 -1,-0.3 0.810 85.0 61.5 -48.9 -35.0 32.5 13.9 11.1 112 112 A K G X> S+ 0 0 73 -3,-3.7 3,-2.5 1,-0.2 4,-0.5 0.739 80.9 81.7 -68.8 -23.2 33.1 14.8 14.7 113 113 A I G X4 S+ 0 0 0 -3,-2.0 3,-0.7 -4,-0.4 -1,-0.2 0.852 96.2 44.6 -50.6 -36.7 31.0 18.0 14.6 114 114 A F G <4 S+ 0 0 99 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.357 100.9 67.7 -94.7 10.0 27.9 15.9 15.0 115 115 A Q G <4 S+ 0 0 140 -3,-2.5 -1,-0.2 -4,-0.1 -2,-0.2 0.434 79.7 109.5-101.3 -4.0 29.4 13.8 17.8 116 116 A H << - 0 0 48 -3,-0.7 4,-0.1 -4,-0.5 -15,-0.1 -0.269 53.5-163.4 -66.8 159.4 29.4 16.9 19.9 117 117 A R S S- 0 0 219 2,-0.4 -1,-0.1 -17,-0.3 3,-0.1 0.065 80.0 -35.2-130.8 17.8 26.9 17.2 22.8 118 118 A G S S+ 0 0 9 1,-0.4 -30,-1.8 -30,-0.1 2,-0.3 0.058 123.5 45.3 153.7 -33.5 27.1 20.9 23.4 119 119 A I E -e 88 0A 1 -19,-0.2 -2,-0.4 -32,-0.2 -1,-0.4 -0.922 53.1-159.7-135.1 160.6 30.7 22.2 22.7 120 120 A I E -e 89 0A 2 -32,-2.9 -30,-1.9 -2,-0.3 2,-0.5 -0.988 22.3-128.9-142.3 129.9 33.3 21.7 20.1 121 121 A A E -ef 90 103A 1 -19,-2.9 -17,-1.5 -2,-0.4 -30,-0.2 -0.712 12.4-142.9 -88.3 126.7 37.0 22.4 20.7 122 122 A N - 0 0 2 -32,-2.9 -26,-0.1 -2,-0.5 -17,-0.1 -0.731 30.0-117.7 -85.0 129.6 38.8 24.6 18.2 123 123 A P - 0 0 1 0, 0.0 -1,-0.1 0, 0.0 195,-0.1 -0.089 32.4 -86.3 -64.5 165.0 42.5 23.3 17.7 124 124 A N > - 0 0 11 85,-0.1 4,-1.7 1,-0.1 -32,-0.1 -0.111 37.0-114.2 -66.0 170.7 45.7 25.2 18.5 125 125 A C H >> S+ 0 0 11 2,-0.2 4,-1.2 1,-0.2 3,-0.5 0.997 114.3 45.4 -67.9 -68.9 47.2 27.6 16.0 126 126 A T H 3> S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.721 116.6 49.3 -45.3 -31.0 50.4 25.7 15.3 127 127 A T H 3> S+ 0 0 2 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.876 102.9 58.1 -80.2 -43.5 48.4 22.4 15.0 128 128 A A H XX S+ 0 0 1 -4,-1.7 4,-2.6 -3,-0.5 3,-1.0 0.978 112.6 37.2 -51.6 -68.4 45.6 23.6 12.7 129 129 A I H 3X S+ 0 0 0 -4,-1.2 4,-1.2 1,-0.3 5,-0.3 0.930 113.6 56.2 -54.0 -50.4 47.9 24.6 9.8 130 130 A L H 3X S+ 0 0 6 -4,-1.0 4,-2.8 -5,-0.3 -1,-0.3 0.815 112.0 45.3 -51.8 -30.4 50.3 21.7 10.3 131 131 A A H S+ 0 0 8 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.771 113.2 54.7 -62.8 -26.3 46.6 14.3 3.4 137 137 A L H X S+ 0 0 2 -4,-0.8 4,-3.7 2,-0.2 5,-0.4 0.924 110.0 48.0 -72.2 -43.1 50.1 12.9 3.9 138 138 A H H X S+ 0 0 21 -4,-1.6 4,-3.8 3,-0.2 -3,-0.1 0.996 111.4 47.6 -57.3 -67.5 49.0 10.8 6.7 139 139 A R H < S+ 0 0 150 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.841 123.5 34.8 -43.6 -42.9 45.9 9.4 5.0 140 140 A A H < S+ 0 0 38 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.915 135.9 17.9 -81.2 -45.2 48.0 8.6 1.9 141 141 A F H < S- 0 0 18 -4,-3.7 106,-2.0 -5,-0.2 107,-1.6 0.408 91.7-130.1-111.3 0.0 51.3 7.6 3.4 142 142 A Q < - 0 0 84 -4,-3.8 105,-2.5 -5,-0.4 106,-0.3 0.879 24.0-141.5 46.6 106.3 50.7 6.8 7.1 143 143 A A E +H 246 0C 5 103,-0.2 103,-0.2 -9,-0.1 3,-0.1 -0.269 27.2 175.9 -86.2 176.9 53.2 8.7 9.2 144 144 A K E + 0 0 101 101,-1.3 80,-1.8 80,-0.1 2,-0.2 0.273 70.0 35.4-158.9 -7.4 54.9 7.4 12.3 145 145 A R E -Hi 245 224C 48 100,-0.9 100,-1.4 78,-0.2 2,-0.4 -0.782 56.1-179.8-162.9 111.7 57.3 10.2 13.2 146 146 A V E -Hi 244 225C 0 78,-3.0 80,-3.0 -2,-0.2 2,-0.5 -0.948 4.0-174.2-118.3 134.3 57.1 14.0 12.9 147 147 A I E - i 0 226C 8 96,-1.7 2,-0.3 -2,-0.4 80,-0.2 -0.836 15.2-177.2-125.9 93.3 59.8 16.5 14.0 148 148 A V E - i 0 227C 3 78,-2.3 80,-2.2 -2,-0.5 2,-0.5 -0.703 19.1-163.5-101.9 146.6 58.7 20.1 13.7 149 149 A A E -Ji 241 228C 6 92,-1.8 92,-1.8 -2,-0.3 2,-0.3 -0.994 23.6-145.4-123.1 117.1 60.6 23.4 14.3 150 150 A T E -J 240 0C 2 78,-2.6 2,-0.3 -2,-0.5 90,-0.3 -0.618 20.0-167.5 -90.6 142.9 58.3 26.3 14.7 151 151 A Y E -J 239 0C 1 88,-4.0 88,-2.2 -2,-0.3 80,-0.2 -0.722 33.2-171.8-124.5 69.3 58.9 29.9 13.5 152 152 A Q B -n 231 0D 1 78,-3.4 80,-2.6 -2,-0.3 82,-0.2 -0.303 10.6-126.9 -75.2 154.8 55.9 31.4 15.5 153 153 A A > - 0 0 0 78,-0.2 3,-0.7 83,-0.1 4,-0.2 -0.417 18.8-112.8-100.0 170.4 54.5 34.9 15.3 154 154 A A G > S+ 0 0 0 80,-2.8 3,-2.7 81,-0.3 7,-0.2 0.864 108.6 67.1 -67.0 -38.8 53.6 37.8 17.6 155 155 A S G > S+ 0 0 4 80,-2.4 3,-2.3 79,-0.3 -1,-0.2 0.798 87.8 69.0 -55.6 -26.2 49.9 37.6 17.0 156 156 A G G < S+ 0 0 33 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.753 96.8 54.0 -62.5 -21.9 50.0 34.3 18.8 157 157 A A G < S- 0 0 37 -3,-2.7 4,-0.4 1,-0.4 -1,-0.3 0.091 124.8-102.6 -97.8 19.7 50.7 36.4 21.9 158 158 A G <> - 0 0 29 -3,-2.3 4,-0.9 1,-0.1 -1,-0.4 -0.124 43.6 -63.3 85.9 175.9 47.6 38.4 21.2 159 159 A A H >> S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.894 127.7 59.8 -67.6 -44.0 47.1 41.9 19.8 160 160 A K H 3> S+ 0 0 162 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.826 108.3 48.2 -55.2 -30.9 49.0 43.8 22.5 161 161 A A H 3> S+ 0 0 1 -4,-0.4 4,-1.6 -3,-0.3 -1,-0.3 0.752 105.3 56.3 -82.1 -25.5 52.0 41.8 21.5 162 162 A M H X S+ 0 0 122 -4,-2.2 4,-2.2 2,-0.2 3,-0.6 0.891 105.8 60.2 -70.2 -43.3 51.8 46.1 18.6 164 164 A E H 3X S+ 0 0 16 -4,-1.6 4,-3.5 1,-0.3 5,-0.3 0.907 101.2 54.4 -52.7 -45.9 54.7 45.7 20.9 165 165 A L H 3X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.3 0.851 109.2 48.5 -60.8 -33.6 56.8 44.3 18.1 166 166 A L H < S+ 0 0 43 -4,-2.1 3,-1.1 2,-0.2 5,-0.4 0.885 109.9 62.5 -67.1 -34.8 62.8 52.1 19.3 172 172 A F H >< S+ 0 0 68 -4,-2.8 3,-2.8 1,-0.3 -2,-0.2 0.972 101.1 50.4 -51.2 -60.8 65.5 49.4 18.6 173 173 A L H 3< S+ 0 0 37 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.680 111.2 52.0 -52.2 -18.1 66.4 51.2 15.3 174 174 A H T << S- 0 0 113 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.348 119.4-105.7-103.2 4.2 66.7 54.4 17.3 175 175 A G S < S+ 0 0 64 -3,-2.8 -3,-0.1 -4,-0.3 -4,-0.1 -0.286 77.3 123.3 106.8 -49.4 69.0 53.2 19.9 176 176 A E S S- 0 0 109 -5,-0.4 -1,-0.3 -2,-0.2 -2,-0.2 -0.235 70.8-104.8 -56.8 130.8 66.9 52.8 23.0 177 177 A A - 0 0 78 1,-0.1 -1,-0.1 -3,-0.1 -5,-0.1 -0.336 44.5 -99.2 -58.8 126.5 67.0 49.2 24.5 178 178 A P - 0 0 33 0, 0.0 2,-1.2 0, 0.0 -1,-0.1 -0.145 26.1-133.7 -50.4 134.3 63.7 47.3 23.8 179 179 A K - 0 0 116 -15,-0.1 2,-0.1 -3,-0.1 -11,-0.1 -0.697 22.8-155.4 -92.2 81.1 61.2 47.3 26.6 180 180 A A + 0 0 33 -2,-1.2 4,-0.0 1,-0.2 -16,-0.0 -0.388 40.9 132.6 -59.5 128.1 60.3 43.6 26.7 181 181 A E + 0 0 133 4,-0.3 -1,-0.2 -2,-0.1 -20,-0.1 0.502 64.8 46.2-144.5 -40.1 56.8 43.3 28.2 182 182 A A S S+ 0 0 41 -22,-0.1 2,-0.2 3,-0.1 -21,-0.1 0.539 113.5 44.0 -91.3 -10.8 54.6 41.0 26.2 183 183 A F S S- 0 0 27 2,-0.3 12,-0.1 -22,-0.0 -29,-0.0 -0.639 96.4 -99.1-122.8-178.3 57.0 38.3 25.7 184 184 A A S S- 0 0 39 10,-0.3 -4,-0.1 -2,-0.2 11,-0.0 0.781 106.6 -1.2 -73.8 -24.5 59.5 36.5 28.0 185 185 A H S S- 0 0 41 -6,-0.0 2,-0.6 7,-0.0 -2,-0.3 -0.770 104.2 -60.3-146.9-174.1 62.3 38.7 26.6 186 186 A P - 0 0 26 0, 0.0 423,-0.1 0, 0.0 -6,-0.1 -0.720 45.5-167.6 -81.7 120.7 62.7 41.5 24.0 187 187 A L > + 0 0 0 -2,-0.6 3,-1.1 45,-0.1 2,-0.2 0.620 46.4 114.9 -86.0 -13.0 61.7 40.0 20.6 188 188 A P T 3 S- 0 0 8 0, 0.0 3,-0.1 0, 0.0 375,-0.0 -0.418 97.4 -7.0 -62.5 126.7 62.9 42.7 18.2 189 189 A F T 3 S+ 0 0 15 373,-0.2 375,-0.3 1,-0.2 2,-0.3 0.926 123.7 81.4 55.4 52.9 65.7 41.1 16.1 190 190 A N < - 0 0 0 -3,-1.1 2,-0.4 372,-0.1 -1,-0.2 -0.989 67.7-125.8-169.5 169.0 65.8 37.9 18.1 191 191 A V - 0 0 0 -2,-0.3 41,-0.2 41,-0.1 418,-0.2 -0.992 11.1-151.2-133.3 144.2 64.2 34.5 18.7 192 192 A I B -O 231 0D 2 39,-1.4 2,-3.0 -2,-0.4 39,-2.1 -0.928 6.2-155.3-115.0 105.8 62.8 33.0 21.9 193 193 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 37,-0.2 -0.117 76.7 86.4 -73.5 49.2 63.0 29.2 22.1 194 194 A H + 0 0 21 -2,-3.0 -10,-0.3 1,-0.1 36,-0.1 -0.829 38.7 152.1-152.4 105.7 60.2 29.6 24.5 195 195 A I - 0 0 20 -2,-0.3 -1,-0.1 34,-0.2 35,-0.1 0.869 66.1 -5.1-101.0 -58.0 56.5 29.8 23.6 196 196 A D S S- 0 0 66 1,-0.2 2,-0.4 33,-0.1 8,-0.0 0.110 96.2 -32.2-113.5-137.2 54.5 28.4 26.6 197 197 A A - 0 0 51 -3,-0.0 8,-1.9 1,-0.0 2,-0.3 -0.734 55.5-122.3 -91.5 133.5 54.7 26.7 30.0 198 198 A F B -P 204 0E 48 -2,-0.4 6,-0.2 6,-0.3 2,-0.1 -0.581 29.3-163.1 -76.7 129.3 57.6 24.3 30.7 199 199 A Q > - 0 0 80 4,-2.8 3,-0.7 -2,-0.3 -1,-0.0 -0.296 36.2 -89.5 -98.7-172.2 56.4 20.9 31.7 200 200 A E T 3 S+ 0 0 191 1,-0.2 -2,-0.0 -2,-0.1 -1,-0.0 0.801 120.3 55.9 -72.7 -31.5 58.4 18.1 33.4 201 201 A N T 3 S- 0 0 63 2,-0.1 423,-0.7 422,-0.1 -1,-0.2 0.528 119.1-101.9 -81.5 -3.1 59.7 16.4 30.3 202 202 A G S < S+ 0 0 18 -3,-0.7 -2,-0.1 1,-0.4 423,-0.1 -0.053 86.6 107.0 114.1 -35.0 61.3 19.6 29.0 203 203 A Y - 0 0 2 421,-0.2 -4,-2.8 -5,-0.1 -1,-0.4 -0.120 67.1-115.1 -71.3 170.5 58.9 20.7 26.3 204 204 A T B > -P 198 0E 0 -6,-0.2 4,-3.0 -3,-0.1 -6,-0.3 -0.698 29.2-105.6-105.2 161.1 56.5 23.7 26.7 205 205 A R H > S+ 0 0 75 -8,-1.9 4,-1.0 -2,-0.3 -7,-0.1 0.872 123.7 53.6 -54.3 -36.4 52.7 23.5 26.7 206 206 A E H >> S+ 0 0 13 2,-0.2 3,-1.3 1,-0.2 4,-1.1 0.983 110.0 44.2 -61.6 -58.4 52.8 24.9 23.2 207 207 A E H >> S+ 0 0 2 1,-0.3 3,-1.0 2,-0.2 4,-0.5 0.933 110.7 56.4 -48.8 -52.6 55.2 22.2 21.9 208 208 A M H 3X S+ 0 0 10 -4,-3.0 4,-2.2 1,-0.3 3,-0.5 0.684 99.0 61.1 -55.4 -23.4 53.2 19.5 23.8 209 209 A K H S+ 0 0 15 -3,-1.3 4,-2.4 -4,-1.0 5,-0.7 0.883 87.8 68.8 -73.3 -40.0 50.0 20.5 21.9 210 210 A V H <<5S+ 0 0 4 -4,-1.1 4,-0.2 -3,-1.0 -1,-0.2 0.774 113.9 34.8 -50.2 -23.6 51.5 19.7 18.5 211 211 A V H X5S+ 0 0 13 -4,-0.5 4,-3.4 -3,-0.5 5,-0.3 0.911 116.9 44.3 -95.5 -65.6 51.2 16.1 19.9 212 212 A W H X5S+ 0 0 92 -4,-2.2 4,-0.6 1,-0.2 -3,-0.2 0.834 118.2 47.8 -52.6 -35.5 48.1 15.8 22.2 213 213 A E H X5S+ 0 0 0 -4,-2.4 4,-3.6 -5,-0.2 3,-0.3 0.908 114.7 44.8 -73.7 -40.1 46.1 17.6 19.6 214 214 A T H >XS+ 0 0 7 -5,-0.7 4,-2.7 -4,-0.2 5,-0.6 0.958 107.5 57.5 -65.6 -52.0 47.4 15.5 16.7 215 215 A H H <>S+ 0 0 40 -4,-3.4 5,-1.6 1,-0.2 -1,-0.2 0.730 121.0 30.6 -51.6 -23.4 47.0 12.3 18.6 216 216 A K H <5S+ 0 0 72 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