==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-OCT-96 1KEV . COMPND 2 MOLECULE: NADP-DEPENDENT ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BEIJERINCKII; . AUTHOR Y.KORKHIN,F.FROLOW . 1404 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48775.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1012 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 140 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 181 12.9 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 100 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 171 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 21.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 41 2.9 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 7 4 0 2 9 3 7 8 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 12 8 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 . 12 12 4 4 2 4 3 1 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 . 2 0 4 0 0 4 0 0 0 0 2 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 42 0, 0.0 16,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 147.8 10.7 31.6 69.4 2 2 A K E +A 16 0A 88 14,-0.2 120,-1.7 12,-0.0 2,-0.3 -0.815 360.0 169.6-116.5 160.9 13.9 30.0 70.7 3 3 A G E -AB 15 121A 0 12,-1.7 12,-2.4 -2,-0.3 2,-0.7 -0.981 38.7-104.3-165.2 157.5 17.3 29.3 69.1 4 4 A F E +A 14 0A 0 116,-2.3 53,-2.0 -2,-0.3 10,-0.2 -0.805 55.2 167.3 -91.2 113.3 20.9 28.2 69.8 5 5 A A E -AC 13 56A 0 8,-2.5 8,-1.9 -2,-0.7 2,-0.8 -0.631 45.5 -99.3-126.2 176.5 23.1 31.2 69.6 6 6 A M E -AC 12 55A 1 49,-2.4 48,-1.7 -2,-0.2 49,-1.1 -0.874 30.4-175.5 -94.8 106.1 26.5 32.8 70.3 7 7 A L E - 0 0 67 4,-1.0 2,-0.3 -2,-0.8 -1,-0.2 0.903 65.4 -44.7 -69.0 -40.4 26.1 34.8 73.6 8 8 A G E > S-A 11 0A 12 3,-0.8 3,-3.0 45,-0.2 -1,-0.3 -0.951 92.6 -33.7-175.0 177.4 29.6 36.2 73.3 9 9 A I T 3 S+ 0 0 84 1,-0.3 36,-0.2 -2,-0.3 35,-0.1 -0.279 133.0 2.1 -52.9 120.8 33.2 35.1 72.5 10 10 A N T 3 S+ 0 0 95 34,-2.1 2,-0.4 1,-0.2 -1,-0.3 0.546 111.8 114.9 74.5 13.4 33.6 31.6 73.8 11 11 A K E < +A 8 0A 129 -3,-3.0 -4,-1.0 33,-0.2 -3,-0.8 -0.949 38.1 175.6-121.7 132.9 29.9 31.5 74.9 12 12 A L E +A 6 0A 38 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.959 17.1 123.1-133.0 146.2 27.1 29.3 73.6 13 13 A G E -A 5 0A 12 -8,-1.9 -8,-2.5 -2,-0.3 2,-0.2 -0.899 53.2 -81.0 170.8 160.7 23.4 28.8 74.7 14 14 A W E +A 4 0A 78 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.543 47.0 169.1 -78.7 142.2 19.7 28.9 73.9 15 15 A I E -A 3 0A 37 -12,-2.4 -12,-1.7 -2,-0.2 2,-0.4 -0.858 33.3-100.6-143.4 175.1 17.8 32.2 73.9 16 16 A E E +A 2 0A 169 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.859 36.2 175.4-105.2 140.4 14.5 33.8 72.9 17 17 A K - 0 0 63 -16,-2.9 2,-0.1 -2,-0.4 -2,-0.0 -0.964 37.4 -97.5-140.0 152.7 14.0 35.8 69.7 18 18 A E - 0 0 187 -2,-0.3 -16,-0.0 1,-0.1 0, 0.0 -0.452 51.4 -98.8 -69.6 143.2 11.0 37.4 68.1 19 19 A R - 0 0 121 -2,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.474 44.0-114.7 -65.6 126.3 9.4 35.3 65.3 20 20 A P - 0 0 31 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.394 27.2-147.1 -65.4 141.4 10.7 36.5 61.9 21 21 A V - 0 0 112 -2,-0.1 2,-0.2 104,-0.0 6,-0.1 -0.870 13.4-121.6-111.1 144.0 8.2 38.0 59.5 22 22 A A - 0 0 20 -2,-0.4 2,-0.1 4,-0.1 46,-0.1 -0.550 15.9-143.8 -88.1 147.3 8.3 37.7 55.7 23 23 A G > - 0 0 30 -2,-0.2 3,-0.7 46,-0.1 46,-0.2 -0.338 47.3 -75.8 -91.3-173.2 8.4 40.6 53.2 24 24 A S T 3 S+ 0 0 64 1,-0.3 47,-1.9 45,-0.2 48,-0.5 0.832 133.0 27.0 -54.8 -39.6 6.7 40.6 49.9 25 25 A Y T 3 S+ 0 0 64 46,-0.2 104,-1.9 45,-0.1 105,-0.4 0.432 108.0 92.5-104.6 -1.0 9.3 38.3 48.2 26 26 A D < - 0 0 34 -3,-0.7 43,-2.0 102,-0.2 2,-0.3 -0.260 56.2-149.0 -91.4 176.6 10.5 36.4 51.3 27 27 A A E -DE 68 126B 0 99,-1.6 99,-2.1 41,-0.2 2,-0.5 -0.990 10.4-136.6-145.9 147.1 9.5 33.2 53.0 28 28 A I E -DE 67 125B 0 39,-2.5 38,-2.7 -2,-0.3 39,-1.2 -0.929 29.3-173.8-106.2 128.1 9.4 31.8 56.6 29 29 A V E -DE 65 124B 0 95,-2.4 95,-2.4 -2,-0.5 36,-0.2 -0.944 19.2-147.2-127.2 145.6 10.7 28.2 56.9 30 30 A R E -D 64 0B 86 34,-2.5 34,-2.6 -2,-0.3 93,-0.2 -0.930 31.9-114.0-110.4 132.6 10.9 25.7 59.8 31 31 A P E +D 63 0B 3 0, 0.0 32,-0.3 0, 0.0 3,-0.1 -0.323 30.4 176.4 -67.7 147.3 13.8 23.3 59.8 32 32 A L E S+ 0 0 20 30,-2.9 319,-1.9 1,-0.4 2,-0.3 0.585 76.2 7.3-117.6 -28.3 13.5 19.5 59.4 33 33 A A E +DF 62 350B 0 29,-1.5 29,-1.9 317,-0.2 -1,-0.4 -0.958 67.7 174.3-158.8 137.9 17.3 18.6 59.4 34 34 A V E -DF 61 349B 2 315,-2.0 315,-2.9 -2,-0.3 27,-0.2 -0.919 12.7-153.8-142.1 169.1 20.5 20.6 60.2 35 35 A S E -D 60 0B 0 25,-1.4 25,-0.5 -2,-0.3 24,-0.5 -0.998 17.9-123.0-149.7 142.5 24.3 20.2 60.6 36 36 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 311,-0.3 -0.553 26.2-150.3 -83.1 154.7 27.1 22.1 62.4 37 37 A C >> - 0 0 3 -2,-0.2 3,-0.9 1,-0.1 4,-0.8 -0.922 26.3-125.6-129.4 152.9 30.2 23.5 60.7 38 38 A T H 3> S+ 0 0 62 -2,-0.3 4,-1.7 1,-0.3 3,-0.1 0.737 109.4 68.9 -63.1 -23.9 33.9 24.2 61.5 39 39 A S H 3> S+ 0 0 20 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.899 94.0 55.2 -60.9 -41.9 33.2 27.8 60.4 40 40 A D H <> S+ 0 0 2 -3,-0.9 4,-2.2 1,-0.2 5,-0.3 0.840 104.5 54.9 -59.9 -35.4 31.0 28.3 63.4 41 41 A I H X S+ 0 0 20 -4,-0.8 4,-2.4 1,-0.2 5,-0.4 0.933 104.9 51.8 -64.7 -45.4 33.9 27.2 65.6 42 42 A H H < S+ 0 0 47 -4,-1.7 6,-2.6 1,-0.2 4,-0.2 0.756 113.4 45.3 -63.7 -27.7 36.3 29.8 64.2 43 43 A T H X S+ 0 0 8 -4,-1.2 4,-0.5 4,-0.2 -1,-0.2 0.899 121.7 33.7 -83.8 -42.3 33.7 32.6 64.8 44 44 A V H < S+ 0 0 2 -4,-2.2 -34,-2.1 2,-0.1 -33,-0.2 0.938 132.0 26.8 -77.9 -52.0 32.7 31.7 68.4 45 45 A F T < S+ 0 0 38 -4,-2.4 -3,-0.2 -5,-0.3 -1,-0.1 0.389 133.3 34.0 -94.6 -0.1 36.0 30.3 69.8 46 46 A E T 4 S- 0 0 116 -5,-0.4 -3,-0.2 -4,-0.2 -2,-0.1 0.394 90.8-134.7-130.9 -4.2 38.5 32.2 67.6 47 47 A G >< + 0 0 24 -4,-0.5 3,-0.6 -6,-0.3 -4,-0.2 0.787 51.1 151.4 51.1 30.7 36.6 35.5 67.1 48 48 A A T 3 + 0 0 22 -6,-2.6 2,-2.2 1,-0.3 -5,-0.2 0.979 65.2 45.6 -54.5 -65.6 37.5 35.3 63.4 49 49 A L T 3 S- 0 0 29 1,-0.1 -1,-0.3 -7,-0.0 -2,-0.1 -0.407 120.6 -98.3 -82.1 65.9 34.5 37.2 62.1 50 50 A G < - 0 0 42 -2,-2.2 2,-0.5 -3,-0.6 -1,-0.1 -0.090 66.7 -38.6 56.8-152.5 34.8 40.0 64.6 51 51 A D - 0 0 75 -3,-0.1 2,-0.3 -42,-0.0 -7,-0.1 -0.941 58.2-177.9-114.2 130.1 32.6 40.1 67.7 52 52 A R - 0 0 72 -2,-0.5 2,-0.4 -9,-0.2 -43,-0.1 -0.855 9.4-157.2-122.1 157.7 28.9 39.0 67.6 53 53 A K S S- 0 0 143 -2,-0.3 -46,-0.2 -45,-0.1 -45,-0.2 -0.963 70.4 -11.5-143.6 122.9 26.3 39.0 70.3 54 54 A N S S+ 0 0 75 -48,-1.7 2,-0.5 -2,-0.4 -47,-0.2 0.822 84.3 154.0 60.5 36.4 23.1 36.9 70.6 55 55 A M E -C 6 0A 15 -49,-1.1 -49,-2.4 62,-0.1 -1,-0.2 -0.842 45.1-124.7 -98.9 125.6 23.4 35.7 67.0 56 56 A I E -C 5 0A 2 -2,-0.5 62,-2.2 -51,-0.3 57,-0.4 -0.507 30.9-137.3 -69.6 134.6 21.7 32.4 66.2 57 57 A L + 0 0 0 -53,-2.0 63,-2.2 -2,-0.2 -53,-0.2 -0.217 49.8 72.7 -87.7 176.6 24.2 29.9 64.6 58 58 A G - 0 0 0 60,-0.2 61,-1.3 61,-0.2 62,-0.2 0.358 29.7-172.2 93.8 139.9 24.0 27.4 61.7 59 59 A H + 0 0 6 -24,-0.5 2,-0.5 59,-0.2 53,-0.1 0.265 62.4 85.7-146.1 10.4 23.9 27.6 57.9 60 60 A E E +D 35 0B 1 -25,-0.5 -25,-1.4 24,-0.1 2,-0.3 -0.940 58.7 129.8-121.4 110.3 23.2 24.1 56.7 61 61 A A E -DG 34 83B 1 22,-0.7 22,-1.7 -2,-0.5 2,-0.3 -0.998 42.4-153.5-160.1 164.1 19.5 23.0 56.5 62 62 A V E +DG 33 82B 0 -29,-1.9 -30,-2.9 -2,-0.3 -29,-1.5 -0.978 38.8 147.1-132.9 139.4 16.5 21.5 54.8 63 63 A G E -DG 31 81B 0 18,-2.1 18,-3.0 -2,-0.3 2,-0.4 -0.894 42.2 -85.3-159.8-171.0 12.9 22.5 55.8 64 64 A E E -DG 30 80B 49 -34,-2.6 -34,-2.5 -2,-0.3 2,-0.3 -0.939 35.7-124.2-116.0 133.3 9.2 23.2 55.2 65 65 A V E +D 29 0B 0 14,-2.7 13,-3.0 -2,-0.4 -36,-0.2 -0.550 30.4 171.0 -73.7 131.0 7.7 26.5 54.1 66 66 A V E + 0 0 42 -38,-2.7 2,-0.3 1,-0.4 -37,-0.2 0.572 64.9 14.0-116.8 -13.4 5.1 27.9 56.5 67 67 A E E -D 28 0B 66 -39,-1.2 -39,-2.5 9,-0.1 -1,-0.4 -0.962 59.5-170.3-164.1 139.1 4.5 31.4 55.1 68 68 A V E -D 27 0B 39 -2,-0.3 -41,-0.2 -41,-0.2 -43,-0.1 -0.961 28.1-105.9-134.4 152.0 5.2 33.3 51.9 69 69 A G > - 0 0 13 -43,-2.0 3,-1.6 -2,-0.3 -45,-0.2 -0.240 38.3-100.9 -71.6 166.4 4.9 37.0 50.8 70 70 A S T 3 S+ 0 0 93 1,-0.3 -45,-0.1 3,-0.0 -46,-0.1 0.718 121.5 49.8 -60.2 -23.6 2.2 38.3 48.5 71 71 A E T 3 S+ 0 0 83 -47,-1.9 2,-0.4 -48,-0.1 -1,-0.3 0.423 79.6 111.7 -97.2 -1.3 4.6 38.3 45.6 72 72 A V < + 0 0 14 -3,-1.6 -4,-0.1 -48,-0.5 -46,-0.1 -0.622 34.8 167.8 -74.9 128.4 6.0 34.8 46.0 73 73 A K + 0 0 144 -2,-0.4 -1,-0.1 -48,-0.1 3,-0.0 0.643 64.7 45.9-116.7 -21.9 4.8 32.7 43.0 74 74 A D S S+ 0 0 96 1,-0.1 2,-0.4 2,-0.0 -2,-0.1 0.566 106.8 51.9-101.8 -10.5 6.7 29.5 42.9 75 75 A F + 0 0 8 4,-0.0 -1,-0.1 60,-0.0 55,-0.1 -0.976 60.0 178.5-130.4 143.6 6.6 28.3 46.5 76 76 A K > - 0 0 128 -2,-0.4 3,-2.0 -11,-0.0 -11,-0.2 -0.889 43.3 -66.8-138.7 164.3 3.6 27.9 48.9 77 77 A P T 3 S+ 0 0 78 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.254 118.4 30.5 -53.5 133.4 2.9 26.8 52.5 78 78 A G T 3 S+ 0 0 42 -13,-3.0 2,-0.1 1,-0.3 -12,-0.1 0.159 84.7 132.8 102.8 -19.1 3.6 23.1 52.9 79 79 A D < - 0 0 27 -3,-2.0 -14,-2.7 -14,-0.1 2,-0.5 -0.422 51.1-137.0 -68.7 140.4 6.4 22.8 50.3 80 80 A R E -G 64 0B 108 -16,-0.2 56,-2.4 56,-0.2 2,-0.3 -0.864 32.5-178.8 -99.3 128.7 9.6 20.9 51.4 81 81 A V E -GH 63 135B 0 -18,-3.0 -18,-2.1 -2,-0.5 2,-0.4 -0.862 32.3-127.9-134.3 163.7 12.8 22.7 50.3 82 82 A I E -GH 62 134B 1 52,-3.1 52,-1.2 -2,-0.3 -20,-0.2 -0.894 26.6-151.9-104.5 131.1 16.7 22.6 50.2 83 83 A V E -G 61 0B 3 -22,-1.7 -22,-0.7 -2,-0.4 2,-0.1 -0.909 6.4-142.6-113.8 112.2 18.4 25.8 51.4 84 84 A P - 0 0 9 0, 0.0 66,-0.1 0, 0.0 65,-0.1 -0.454 17.8-128.2 -68.8 140.8 21.8 26.8 50.0 85 85 A C S S+ 0 0 4 64,-2.1 2,-0.6 211,-0.1 26,-0.6 0.830 99.3 63.6 -59.5 -29.7 24.2 28.3 52.6 86 86 A T B +J 110 0C 1 63,-0.3 212,-1.6 210,-0.3 24,-0.2 -0.858 60.9 171.6 -99.2 119.0 24.8 31.3 50.2 87 87 A T - 0 0 0 22,-1.8 40,-0.1 -2,-0.6 45,-0.1 -0.688 19.1-166.9-128.3 77.8 21.6 33.3 49.6 88 88 A P - 0 0 0 0, 0.0 2,-0.9 0, 0.0 21,-0.1 -0.083 29.2-111.7 -67.3 159.8 22.6 36.4 47.6 89 89 A D - 0 0 50 11,-0.2 6,-0.2 1,-0.1 15,-0.1 -0.856 29.2-158.6 -90.3 104.7 20.7 39.6 46.9 90 90 A W S S+ 0 0 9 -2,-0.9 2,-1.1 1,-0.2 -1,-0.1 0.666 77.8 72.6 -62.7 -17.5 20.2 39.2 43.1 91 91 A R S S+ 0 0 68 4,-0.1 2,-0.3 704,-0.0 -1,-0.2 -0.620 77.5 106.1 -99.8 73.3 19.7 42.9 42.5 92 92 A S S > S- 0 0 2 -2,-1.1 4,-1.4 702,-0.1 3,-0.2 -0.974 75.7-117.9-145.2 159.9 23.3 44.1 43.0 93 93 A L H > S+ 0 0 52 -2,-0.3 4,-1.1 1,-0.2 5,-0.1 0.828 111.8 59.6 -68.6 -32.9 26.2 45.4 40.9 94 94 A E H 4>S+ 0 0 68 1,-0.2 5,-2.8 2,-0.2 4,-0.3 0.861 103.8 52.0 -64.1 -35.1 28.5 42.6 41.9 95 95 A V H >45S+ 0 0 15 -3,-0.2 3,-1.7 1,-0.2 -1,-0.2 0.921 106.0 54.0 -66.1 -40.6 26.0 40.1 40.4 96 96 A Q H 3<5S+ 0 0 28 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.764 108.2 51.3 -63.5 -24.3 26.1 42.2 37.2 97 97 A A T 3<5S- 0 0 53 -4,-1.1 -1,-0.3 -3,-0.1 -2,-0.2 0.450 126.0-101.1 -90.7 -4.3 29.9 41.7 37.3 98 98 A G T < 5S+ 0 0 59 -3,-1.7 2,-0.3 -4,-0.3 -3,-0.2 0.640 90.2 110.4 94.0 18.2 29.6 37.9 37.7 99 99 A F > < + 0 0 62 -5,-2.8 3,-1.8 1,-0.1 -3,-0.1 -0.586 27.2 164.2-128.5 74.0 30.2 37.6 41.5 100 100 A Q G > S+ 0 0 30 -2,-0.3 3,-2.0 1,-0.3 -11,-0.2 0.868 72.2 69.2 -53.6 -41.4 27.1 36.5 43.4 101 101 A Q G 3 S+ 0 0 11 1,-0.3 8,-2.2 193,-0.2 9,-0.5 0.654 104.0 43.9 -54.1 -19.6 29.1 35.5 46.5 102 102 A H G X S+ 0 0 1 -3,-1.8 3,-2.1 6,-0.2 2,-0.4 -0.053 73.9 157.2-119.7 32.8 29.9 39.2 47.1 103 103 A S T < S- 0 0 0 -3,-2.0 -14,-0.1 1,-0.3 -3,-0.1 -0.443 82.1 -6.5 -62.2 116.1 26.5 40.9 46.5 104 104 A N T 3 S+ 0 0 104 -2,-0.4 -1,-0.3 -15,-0.1 2,-0.2 0.684 137.7 2.0 69.8 22.5 26.6 44.2 48.4 105 105 A G S X S- 0 0 24 -3,-2.1 3,-2.1 505,-0.1 2,-0.3 -0.664 97.7 -52.5 147.8 157.9 30.0 43.4 50.0 106 106 A M T 3 S- 0 0 83 1,-0.3 -4,-0.1 -2,-0.2 532,-0.1 -0.414 125.6 -10.4 -61.3 112.6 33.0 41.1 50.5 107 107 A L T > S+ 0 0 16 -2,-0.3 3,-1.6 530,-0.1 -1,-0.3 0.517 95.7 134.3 73.2 10.2 31.5 37.7 51.4 108 108 A A T < + 0 0 13 -3,-2.1 -6,-0.2 1,-0.3 -2,-0.1 0.483 54.1 75.2 -69.2 -3.6 28.0 39.3 51.8 109 109 A G T 3 S+ 0 0 0 -8,-2.2 -22,-1.8 -4,-0.3 2,-0.8 0.741 85.3 71.7 -76.9 -24.8 26.3 36.6 49.8 110 110 A W B < +J 86 0C 13 -3,-1.6 -24,-0.2 -9,-0.5 -1,-0.1 -0.850 58.0 155.5 -93.3 110.5 26.7 34.3 52.9 111 111 A K >>> + 0 0 17 -2,-0.8 4,-2.2 -26,-0.6 3,-2.1 0.846 36.4 93.6-104.2 -47.7 24.2 35.6 55.5 112 112 A F B 345S-k 116 0D 1 -27,-0.5 5,-0.2 1,-0.3 6,-0.1 -0.289 110.4 -7.4 -55.8 126.7 23.4 32.8 57.9 113 113 A S T 345S+ 0 0 1 3,-2.0 -1,-0.3 -57,-0.4 -55,-0.1 0.715 124.7 80.0 55.9 23.4 25.6 32.8 61.0 114 114 A N T <45S- 0 0 13 -3,-2.1 -2,-0.2 2,-0.4 -3,-0.1 0.617 127.3 -32.4-116.2 -53.9 27.7 35.6 59.4 115 115 A F T <5S+ 0 0 100 -4,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.208 125.9 67.4-154.0 13.6 25.5 38.6 60.1 116 116 A K B > S- 0 0 19 -2,-0.3 4,-1.6 3,-0.1 3,-1.3 0.984 71.6-161.4 55.6 74.1 13.8 36.1 47.9 129 129 A A H 3> S+ 0 0 0 -104,-1.9 4,-1.2 -3,-0.4 3,-0.4 0.862 84.8 51.9 -49.2 -51.1 12.1 32.7 48.0 130 130 A D H 34 S+ 0 0 11 -105,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.723 117.4 39.2 -63.6 -22.7 11.7 32.2 44.2 131 131 A M H <4 S+ 0 0 12 -3,-1.3 168,-2.4 1,-0.1 169,-0.3 0.614 122.2 38.1-103.2 -13.4 15.4 33.0 43.6 132 132 A N H < S+ 0 0 0 -4,-1.6 2,-0.3 -3,-0.4 166,-0.2 0.333 99.9 74.7-123.2 10.7 17.0 31.2 46.6 133 133 A L < - 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0 0 82 -3,-1.1 2,-0.2 -4,-0.3 -3,-0.1 0.925 25.6-157.2 47.0 57.7 33.0 23.8 28.4 1220 164 D I < - 0 0 0 -5,-0.7 2,-0.3 1,-0.0 -1,-0.2 -0.411 7.3-147.9 -71.1 135.3 30.7 21.7 30.6 1221 165 D Q > - 0 0 99 -2,-0.2 3,-2.1 4,-0.1 2,-0.5 -0.684 35.9 -89.0 -97.9 155.1 29.5 23.0 34.0 1222 166 D M T 3 S+ 0 0 3 1,-0.3 25,-0.2 -2,-0.3 24,-0.1 -0.510 117.5 17.9 -70.1 113.8 28.8 20.7 37.0 1223 167 D G T 3 S+ 0 0 9 23,-2.5 26,-0.3 -2,-0.5 -1,-0.3 0.404 89.7 149.1 106.1 2.0 25.1 19.8 36.7 1224 168 D S < - 0 0 2 -3,-2.1 24,-2.8 22,-0.2 2,-0.4 -0.358 46.9-124.6 -69.7 145.0 24.7 20.7 33.0 1225 169 D S - 0 0 21 23,-0.2 69,-2.1 22,-0.2 68,-0.7 -0.763 33.8-169.3 -88.7 136.7 22.2 18.8 30.9 1226 170 D V E -za12501294O 1 23,-3.0 25,-2.8 -2,-0.4 2,-0.4 -0.965 19.6-158.6-133.9 146.1 23.8 17.3 27.7 1227 171 D V E -za12511295O 0 67,-1.7 69,-2.7 -2,-0.3 2,-0.6 -0.991 8.3-162.8-122.1 126.3 22.6 15.7 24.5 1228 172 D V E -za12521296O 0 23,-2.7 25,-1.9 -2,-0.4 2,-0.9 -0.951 8.6-153.3-111.7 111.1 25.1 13.5 22.5 1229 173 D I E S+za12531297O 10 67,-2.5 69,-2.2 -2,-0.6 70,-0.7 -0.776 70.2 24.2 -88.3 105.4 23.9 12.9 18.9 1230 174 D G - 0 0 16 23,-1.3 24,-0.2 -2,-0.9 69,-0.0 0.337 60.8-151.0 109.3 120.5 25.4 9.6 17.8 1231 175 D I + 0 0 9 22,-0.3 32,-0.1 4,-0.1 31,-0.1 -0.128 51.7 120.3-115.0 36.1 26.4 6.7 20.0 1232 176 D G S > S- 0 0 25 66,-0.2 4,-2.7 31,-0.0 5,-0.3 -0.203 89.7 -69.2 -80.7-171.9 29.2 5.0 18.0 1233 177 D A H > S+ 0 0 11 168,-0.3 4,-1.9 1,-0.2 5,-0.2 0.860 138.0 47.6 -50.0 -42.9 32.7 4.7 19.5 1234 178 D V H > S+ 0 0 35 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.931 114.5 46.3 -65.1 -44.0 33.4 8.5 19.3 1235 179 D G H > S+ 0 0 1 63,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.826 108.8 55.5 -66.7 -34.2 30.0 9.3 20.8 1236 180 D L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.903 109.6 46.1 -65.6 -41.3 30.4 6.7 23.6 1237 181 D M H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.735 108.9 57.4 -72.4 -22.0 33.7 8.4 24.6 1238 182 D G H X S+ 0 0 0 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.874 107.2 47.2 -73.2 -38.9 31.9 11.7 24.3 1239 183 D I H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.945 113.8 47.4 -66.3 -47.0 29.4 10.5 26.9 1240 184 D A H X S+ 0 0 5 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.915 113.3 48.9 -60.5 -43.9 32.2 9.2 29.2 1241 185 D G H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.892 109.0 52.2 -63.2 -41.3 34.1 12.5 28.8 1242 186 D A H ><>S+ 0 0 0 -4,-2.3 5,-1.9 1,-0.2 3,-1.2 0.883 110.1 49.1 -62.4 -39.1 30.9 14.6 29.5 1243 187 D K H ><5S+ 0 0 78 -4,-2.1 3,-1.7 1,-0.3 -2,-0.2 0.912 106.9 56.0 -66.6 -40.1 30.4 12.5 32.7 1244 188 D L T 3<5S+ 0 0 15 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.346 104.4 54.8 -74.3 5.2 34.1 13.1 33.6 1245 189 D R T < 5S- 0 0 17 -3,-1.2 -1,-0.3 -1056,-0.1 -2,-0.2 0.258 126.9 -93.9-116.8 5.0 33.5 16.9 33.4 1246 190 D G T < 5 + 0 0 1 -3,-1.7 -23,-2.5 1,-0.2 -22,-0.2 0.589 63.1 166.3 95.4 13.5 30.6 16.9 35.9 1247 191 D A < - 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