==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-JAN-11 3QFA . COMPND 2 MOLECULE: THIOREDOXIN REDUCTASE 1, CYTOPLASMIC; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.FRITZ-WOLF,S.KEHR,M.STUMPF,S.RAHLFS,K.BECKER . 1198 4 4 2 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48212.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 872 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 164 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 . 5 0.4 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 . 122 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 311 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 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 5 2 4 0 2 1 0 3 4 4 1 0 3 0 0 0 0 0 2 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 5 8 2 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 PARALLEL BRIDGES PER LADDER . 8 0 6 1 6 3 2 4 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 4 0 4 2 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 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 6 A D 0 0 177 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -28.8 112.2 3.6 -55.2 2 7 A L - 0 0 92 131,-0.0 131,-0.1 146,-0.0 4,-0.0 -0.957 360.0-105.7-147.7 124.9 108.4 3.5 -54.9 3 8 A P - 0 0 26 0, 0.0 3,-0.2 0, 0.0 146,-0.0 0.063 17.1-131.4 -43.8 148.5 106.1 5.2 -52.4 4 9 A K S S+ 0 0 219 1,-0.3 2,-0.3 0, 0.0 0, 0.0 0.594 98.8 11.7 -78.4 -11.3 104.4 3.2 -49.6 5 10 A S S S- 0 0 86 144,-0.0 -1,-0.3 3,-0.0 2,-0.3 -0.923 79.8-124.6-164.9 138.2 101.3 5.0 -50.8 6 11 A Y - 0 0 62 -2,-0.3 143,-0.2 -3,-0.2 3,-0.1 -0.663 12.3-140.1 -88.3 142.9 100.4 7.1 -53.8 7 12 A D S S+ 0 0 80 141,-0.9 2,-0.3 -2,-0.3 142,-0.2 0.722 88.1 20.3 -72.4 -18.6 99.0 10.5 -53.3 8 13 A Y E -a 149 0A 32 140,-0.8 142,-1.9 1,-0.1 143,-0.2 -0.991 62.3-135.0-150.5 155.2 96.6 9.8 -56.1 9 14 A D E S+ 0 0 42 23,-1.8 142,-0.7 1,-0.3 2,-0.3 0.757 101.1 10.1 -76.4 -26.7 95.0 6.9 -58.1 10 15 A L E -ab 151 33A 9 22,-1.7 24,-1.6 140,-0.2 2,-0.5 -0.944 61.7-163.3-158.1 129.2 95.8 8.9 -61.3 11 16 A I E -ab 152 34A 0 140,-2.2 142,-2.0 -2,-0.3 2,-0.5 -0.974 14.6-154.2-115.8 128.2 97.8 12.0 -62.2 12 17 A I E -ab 153 35A 0 22,-3.0 24,-3.4 -2,-0.5 2,-0.9 -0.906 3.9-151.7-106.6 123.0 97.1 13.6 -65.5 13 18 A I E S+ab 154 36A 6 140,-3.0 142,-2.7 -2,-0.5 24,-0.2 -0.812 73.7 31.7 -94.1 103.2 99.9 15.7 -67.1 14 19 A G - 0 0 8 22,-3.6 2,-0.5 -2,-0.9 23,-0.2 0.319 63.5-142.7 117.2 113.5 98.1 18.3 -69.2 15 20 A G + 0 0 0 4,-0.2 36,-1.3 20,-0.1 22,-0.1 -0.388 62.9 113.8-100.6 54.2 94.8 20.0 -68.6 16 21 A G S > S- 0 0 13 -2,-0.5 4,-2.4 139,-0.5 5,-0.4 -0.070 85.6 -57.2-102.1-155.6 93.7 20.1 -72.2 17 22 A S H > S+ 0 0 24 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.920 134.8 32.0 -54.8 -53.9 90.9 18.5 -74.2 18 23 A G H > S+ 0 0 5 2,-0.2 4,-3.1 3,-0.1 5,-0.2 0.918 119.2 51.9 -73.3 -44.5 91.8 14.9 -73.4 19 24 A G H > S+ 0 0 0 136,-0.3 4,-3.1 1,-0.2 -2,-0.2 0.936 111.5 44.8 -57.9 -51.4 93.2 15.4 -70.0 20 25 A L H X S+ 0 0 4 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.864 115.4 48.4 -63.9 -35.6 90.3 17.3 -68.5 21 26 A A H X S+ 0 0 8 -4,-1.1 4,-2.0 -5,-0.4 -2,-0.2 0.949 113.0 48.6 -68.0 -48.0 87.8 14.8 -70.1 22 27 A A H X S+ 0 0 3 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.935 108.8 54.3 -53.9 -50.8 89.8 12.0 -68.7 23 28 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.895 108.6 46.9 -52.5 -50.0 90.0 13.6 -65.2 24 29 A K H X S+ 0 0 55 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.896 111.1 50.2 -64.7 -42.5 86.2 14.0 -64.9 25 30 A E H X S+ 0 0 35 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.959 112.8 46.9 -61.4 -49.0 85.3 10.4 -66.0 26 31 A A H ><>S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.2 5,-1.2 0.946 113.1 48.1 -56.0 -52.5 87.8 8.9 -63.6 27 32 A A H ><5S+ 0 0 12 -4,-2.5 3,-2.3 1,-0.3 -1,-0.2 0.917 96.3 72.5 -54.7 -45.3 86.7 11.0 -60.7 28 33 A Q H 3<5S+ 0 0 116 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.730 98.3 51.5 -41.8 -25.1 83.1 10.1 -61.6 29 34 A Y T <<5S- 0 0 93 -3,-2.0 -1,-0.3 -4,-0.5 -2,-0.1 -0.216 126.3-100.6-109.4 40.1 84.1 6.7 -60.2 30 35 A G T < 5S+ 0 0 72 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.2 0.585 72.1 149.4 55.1 16.2 85.4 8.1 -56.9 31 36 A K < - 0 0 74 -5,-1.2 2,-0.8 -4,-0.2 -1,-0.2 -0.478 53.1-114.4 -80.0 151.4 89.1 7.9 -57.9 32 37 A K + 0 0 109 -2,-0.1 -23,-1.8 88,-0.1 -22,-1.7 -0.782 46.4 176.3 -87.3 113.2 91.6 10.3 -56.6 33 38 A V E -b 10 0A 2 -2,-0.8 88,-2.5 86,-0.3 2,-0.4 -0.902 21.8-170.2-124.2 149.5 92.8 12.4 -59.5 34 39 A M E -bc 11 121A 0 -24,-1.6 -22,-3.0 -2,-0.3 2,-0.6 -0.994 10.4-155.1-136.8 126.7 95.1 15.4 -60.0 35 40 A V E -bc 12 122A 0 86,-3.1 88,-2.4 -2,-0.4 2,-0.6 -0.903 5.1-158.8-105.9 124.5 95.4 17.4 -63.2 36 41 A L E +bc 13 123A 3 -24,-3.4 -22,-3.6 -2,-0.6 2,-0.4 -0.908 19.4 170.5-101.6 121.3 98.7 19.2 -63.8 37 42 A D + 0 0 15 86,-1.3 2,-0.3 -2,-0.6 89,-0.1 -0.981 5.4 159.8-137.5 128.2 98.3 22.0 -66.3 38 43 A F - 0 0 45 -2,-0.4 2,-0.7 86,-0.2 -23,-0.1 -0.997 26.8-146.8-143.8 141.0 100.8 24.7 -67.2 39 44 A V - 0 0 9 -2,-0.3 9,-0.1 9,-0.2 3,-0.1 -0.824 13.5-150.9-114.0 94.9 101.1 26.9 -70.3 40 45 A T - 0 0 60 -2,-0.7 6,-0.0 1,-0.1 -2,-0.0 -0.411 35.7-102.6 -60.7 136.8 104.7 27.7 -71.2 41 46 A P - 0 0 70 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.150 26.9-111.8 -62.1 153.0 104.7 31.2 -72.9 42 47 A T > - 0 0 8 4,-2.2 3,-2.2 1,-0.1 131,-0.0 -0.265 46.4 -92.3 -73.2 171.0 105.0 31.8 -76.6 43 48 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 130,-0.1 0.817 131.1 50.9 -58.7 -27.9 108.3 33.5 -77.6 44 49 A L T 3 S- 0 0 88 2,-0.0 126,-0.0 127,-0.0 129,-0.0 0.333 124.9-103.9 -90.9 7.8 106.6 36.8 -77.3 45 50 A G < + 0 0 49 -3,-2.2 2,-0.1 1,-0.3 -1,-0.0 0.461 66.1 153.4 89.0 1.3 105.3 36.0 -73.9 46 51 A T + 0 0 33 -5,-0.1 -4,-2.2 -6,-0.0 2,-0.3 -0.374 14.6 166.2 -66.6 143.3 101.7 35.2 -74.7 47 52 A R - 0 0 100 -6,-0.2 2,-0.3 130,-0.1 -7,-0.1 -0.969 12.7-169.3-152.0 163.0 100.1 32.8 -72.2 48 53 A W - 0 0 34 -2,-0.3 -9,-0.2 -9,-0.1 3,-0.1 -0.859 20.6 -89.2-148.7-179.9 96.6 31.7 -71.3 49 54 A G > - 0 0 20 -2,-0.3 3,-0.7 1,-0.2 7,-0.1 -0.007 56.5 -51.5 -89.0-169.5 94.4 29.7 -68.8 50 55 A L T 3 S+ 0 0 1 1,-0.2 61,-0.2 55,-0.1 -1,-0.2 -0.284 97.5 70.3 -63.4 143.5 93.1 26.2 -68.2 51 56 A G T 3 S- 0 0 1 -36,-1.3 4,-0.5 -3,-0.1 -1,-0.2 0.033 86.8-118.7 138.0 -29.6 91.4 24.4 -71.1 52 57 A G <> - 0 0 10 -3,-0.7 4,-2.2 -36,-0.2 5,-0.4 -0.392 50.6 -40.5 95.8-173.3 94.1 23.6 -73.5 53 58 A T H > S+ 0 0 38 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.940 131.6 48.5 -58.1 -55.3 94.8 24.5 -77.2 54 59 A a H > S+ 0 0 5 3,-0.2 6,-1.7 1,-0.2 4,-0.9 0.914 115.5 44.1 -53.5 -49.5 91.3 24.2 -78.5 55 60 A V H 4 S+ 0 0 5 -4,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.895 129.6 22.3 -64.8 -44.0 89.8 26.3 -75.7 56 61 A N H < S+ 0 0 2 -4,-2.2 -3,-0.2 -7,-0.1 -2,-0.2 0.862 141.8 6.0 -95.1 -44.2 92.4 29.0 -75.7 57 62 A V H < S+ 0 0 7 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.1 -0.080 121.4 43.1-137.1 37.3 94.2 29.1 -79.0 58 63 A G S X S+ 0 0 15 -4,-0.9 4,-2.2 -5,-0.3 5,-0.3 -0.257 106.9 2.5-143.5-128.3 92.4 26.7 -81.3 59 64 A a H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.826 123.3 49.2 -36.9 -58.4 88.9 25.5 -82.2 60 65 A I H > S+ 0 0 13 -6,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.949 116.2 35.0 -57.1 -62.1 87.0 28.1 -80.1 61 66 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.912 118.9 53.6 -62.5 -38.4 88.6 31.4 -80.9 62 67 A K H X S+ 0 0 16 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.874 110.2 45.0 -62.6 -41.5 89.1 30.4 -84.5 63 68 A K H X S+ 0 0 6 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.866 112.5 53.6 -71.5 -35.1 85.5 29.4 -85.1 64 69 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.933 111.6 43.1 -65.3 -43.6 84.4 32.6 -83.3 65 70 A M H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.877 112.2 55.0 -68.9 -34.3 86.6 34.8 -85.6 66 71 A H H X S+ 0 0 2 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.925 107.4 49.6 -61.6 -41.9 85.3 32.7 -88.5 67 72 A Q H X S+ 0 0 24 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.897 105.8 56.6 -63.6 -39.4 81.8 33.6 -87.4 68 73 A A H X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.903 108.7 47.2 -57.2 -41.0 82.8 37.2 -87.3 69 74 A A H X S+ 0 0 16 -4,-1.9 4,-1.4 1,-0.2 3,-0.4 0.926 111.5 50.3 -66.4 -44.4 83.8 36.8 -91.0 70 75 A L H X S+ 0 0 57 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.883 106.9 54.5 -60.9 -40.2 80.5 35.1 -91.8 71 76 A L H X S+ 0 0 9 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.788 101.3 59.5 -65.6 -27.7 78.5 37.9 -90.1 72 77 A G H X S+ 0 0 6 -4,-1.1 4,-1.4 -3,-0.4 -1,-0.2 0.924 107.7 45.2 -65.1 -42.8 80.3 40.4 -92.4 73 78 A Q H X S+ 0 0 52 -4,-1.4 4,-2.9 1,-0.2 -2,-0.2 0.826 108.9 57.6 -67.4 -33.2 78.9 38.5 -95.3 74 79 A A H X S+ 0 0 11 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.884 100.4 56.4 -65.3 -39.8 75.5 38.4 -93.6 75 80 A L H X S+ 0 0 5 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.932 112.0 43.9 -57.7 -43.6 75.5 42.2 -93.3 76 81 A Q H >X S+ 0 0 114 -4,-1.4 3,-1.4 1,-0.2 4,-0.5 0.962 113.4 49.4 -65.8 -51.4 75.9 42.3 -97.1 77 82 A D H 3X S+ 0 0 10 -4,-2.9 4,-0.7 1,-0.2 3,-0.4 0.799 100.4 67.5 -57.3 -33.3 73.3 39.5 -97.8 78 83 A S H 3<>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 -1,-0.2 0.721 86.5 67.9 -64.2 -22.6 70.7 41.2 -95.6 79 84 A R H X<5S+ 0 0 35 -3,-1.4 3,-2.1 -4,-0.5 -1,-0.2 0.959 99.5 47.7 -62.3 -51.0 70.3 44.2 -97.9 80 85 A N H 3<5S+ 0 0 63 -4,-0.5 514,-0.2 -3,-0.4 -1,-0.2 0.724 105.9 59.6 -62.7 -23.5 68.6 42.2 -100.7 81 86 A Y T 3<5S- 0 0 0 -4,-0.7 -1,-0.3 -3,-0.1 510,-0.2 0.407 131.8 -92.0 -85.6 1.0 66.3 40.6 -98.2 82 87 A G T < 5S+ 0 0 0 -3,-2.1 505,-2.5 1,-0.3 2,-0.5 0.444 80.3 138.3 106.0 0.6 65.1 44.1 -97.3 83 88 A W B < -F 586 0B 19 -5,-2.7 2,-1.8 503,-0.2 -1,-0.3 -0.695 50.6-137.0 -84.3 127.6 67.3 45.2 -94.4 84 89 A K + 0 0 105 501,-2.5 501,-0.3 -2,-0.5 2,-0.2 -0.526 43.5 155.4 -85.1 75.0 68.4 48.8 -94.7 85 90 A V - 0 0 10 -2,-1.8 495,-0.0 -10,-0.2 -3,-0.0 -0.651 48.3 -96.4 -97.7 155.6 72.1 48.4 -93.8 86 91 A E - 0 0 91 -2,-0.2 3,-0.2 1,-0.1 -1,-0.1 -0.259 34.7-113.5 -66.4 160.4 74.8 50.8 -94.9 87 92 A E S S+ 0 0 151 1,-0.2 2,-0.5 -8,-0.0 -1,-0.1 0.971 100.1 22.9 -60.0 -59.4 76.9 49.9 -97.9 88 93 A T S S- 0 0 124 -12,-0.0 2,-0.5 -3,-0.0 -1,-0.2 -0.950 71.6-165.1-117.5 120.8 80.3 49.4 -96.2 89 94 A V - 0 0 20 -2,-0.5 491,-0.1 -3,-0.2 2,-0.1 -0.897 16.5-133.4-107.2 127.7 80.4 48.5 -92.5 90 95 A K - 0 0 171 -2,-0.5 489,-2.7 489,-0.2 2,-0.4 -0.376 14.8-141.7 -75.0 155.5 83.7 48.8 -90.6 91 96 A H B -G 578 0C 36 487,-0.2 2,-0.7 116,-0.2 487,-0.3 -0.971 4.5-141.3-121.9 136.8 84.9 46.1 -88.3 92 97 A D > - 0 0 71 485,-3.1 4,-1.8 -2,-0.4 5,-0.1 -0.858 8.2-167.1-103.6 111.6 86.7 46.6 -85.0 93 98 A W H > S+ 0 0 10 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.893 87.2 51.5 -60.1 -46.5 89.5 44.2 -84.2 94 99 A D H > S+ 0 0 89 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.854 107.6 52.1 -63.3 -36.9 89.9 45.1 -80.6 95 100 A R H > S+ 0 0 94 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.926 111.7 48.3 -65.1 -42.1 86.2 44.7 -79.8 96 101 A M H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.957 111.1 48.2 -61.9 -52.2 86.3 41.2 -81.4 97 102 A I H X S+ 0 0 15 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.912 111.7 52.8 -54.7 -42.3 89.4 40.1 -79.5 98 103 A E H X S+ 0 0 111 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.955 111.3 43.6 -58.0 -54.7 87.8 41.4 -76.4 99 104 A A H X S+ 0 0 20 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.887 115.2 51.1 -59.7 -40.0 84.6 39.4 -76.9 100 105 A V H X S+ 0 0 0 -4,-3.0 4,-1.7 -5,-0.2 -2,-0.2 0.927 113.0 43.1 -65.3 -46.3 86.6 36.3 -77.9 101 106 A Q H X S+ 0 0 61 -4,-3.0 4,-3.1 2,-0.2 5,-0.2 0.897 109.2 58.1 -67.4 -41.0 88.9 36.4 -74.8 102 107 A N H X S+ 0 0 39 -4,-2.9 4,-1.7 -5,-0.3 -1,-0.2 0.914 108.6 46.5 -55.8 -41.4 86.0 37.1 -72.5 103 108 A H H X S+ 0 0 18 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.881 110.1 53.2 -69.1 -34.4 84.4 33.9 -73.7 104 109 A I H X S+ 0 0 1 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.921 106.8 53.2 -64.4 -41.7 87.6 32.1 -73.3 105 110 A G H X S+ 0 0 6 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.887 105.4 52.5 -60.4 -40.5 87.8 33.3 -69.7 106 111 A S H X S+ 0 0 9 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.899 111.8 48.5 -62.6 -37.2 84.4 32.0 -69.0 107 112 A L H X S+ 0 0 40 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.910 108.6 51.5 -68.5 -42.6 85.6 28.7 -70.3 108 113 A N H X S+ 0 0 18 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.945 115.7 42.7 -57.4 -49.0 88.8 28.8 -68.2 109 114 A W H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.911 109.0 60.0 -62.8 -43.5 86.7 29.4 -65.2 110 115 A G H X S+ 0 0 28 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.894 106.0 46.2 -52.7 -45.0 84.2 26.8 -66.3 111 116 A Y H X S+ 0 0 72 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.854 109.9 53.0 -69.0 -35.5 86.8 24.0 -66.3 112 117 A R H X S+ 0 0 5 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.853 111.2 47.6 -67.5 -33.9 88.2 25.0 -62.9 113 118 A V H X S+ 0 0 16 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.890 111.1 51.5 -72.6 -40.4 84.7 24.8 -61.5 114 119 A A H X S+ 0 0 23 -4,-2.0 4,-1.3 -5,-0.2 -2,-0.2 0.902 107.2 51.7 -63.7 -44.8 84.0 21.5 -63.1 115 120 A L H ><>S+ 0 0 3 -4,-2.3 5,-2.7 1,-0.2 3,-1.0 0.966 112.1 45.4 -58.3 -54.4 87.1 19.8 -61.8 116 121 A R H ><5S+ 0 0 39 -4,-1.6 3,-3.6 1,-0.3 -1,-0.2 0.902 104.6 63.2 -55.5 -42.5 86.4 20.8 -58.2 117 122 A E H 3<5S+ 0 0 103 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.860 109.3 40.8 -49.6 -37.3 82.8 19.7 -58.7 118 123 A K T <<5S- 0 0 64 -4,-1.3 -1,-0.3 -3,-1.0 -2,-0.2 0.242 119.1-116.8 -94.4 10.4 84.3 16.2 -59.2 119 124 A K T < 5 + 0 0 170 -3,-3.6 2,-0.5 1,-0.2 -86,-0.3 0.802 61.1 157.7 57.1 31.1 86.7 16.9 -56.3 120 125 A V < - 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0 0 73 -2,-0.4 4,-2.3 1,-0.2 3,-0.2 -0.753 30.9-174.2 -94.6 97.3 76.4 42.9 -123.4 1190 94 D K H > S+ 0 0 79 -2,-1.1 4,-3.1 1,-0.2 5,-0.4 0.859 82.3 56.8 -57.1 -40.3 75.3 46.3 -124.7 1191 95 D E H > S+ 0 0 112 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.923 110.8 44.1 -58.7 -43.8 78.4 46.7 -126.9 1192 96 D K H > S+ 0 0 98 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.888 114.3 51.0 -66.8 -40.7 77.7 43.4 -128.6 1193 97 D L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.978 114.0 41.2 -60.7 -59.9 74.0 44.3 -129.0 1194 98 D E H X S+ 0 0 50 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.850 117.5 51.3 -58.8 -32.9 74.6 47.7 -130.5 1195 99 D A H X S+ 0 0 52 -4,-1.9 4,-1.1 -5,-0.4 -1,-0.2 0.850 108.7 49.3 -73.9 -34.0 77.4 46.1 -132.6 1196 100 D T H X S+ 0 0 16 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.898 109.5 52.3 -71.6 -37.3 75.1 43.3 -133.8 1197 101 D I H >X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 3,-0.7 0.913 109.3 49.9 -61.7 -42.8 72.5 45.9 -134.8 1198 102 D N H 3< S+ 0 0 85 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.753 109.0 52.8 -67.0 -26.0 75.1 47.8 -136.8 1199 103 D E H 3< S+ 0 0 159 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.618 117.0 36.8 -85.6 -13.7 76.2 44.5 -138.5 1200 104 D L H << 0 0 43 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.1 0.593 360.0 360.0-112.6 -16.3 72.6 43.7 -139.6 1201 105 D V < 0 0 109 -4,-1.8 -83,-0.3 -5,-0.2 -2,-0.1 0.850 360.0 360.0 -37.2 360.0 71.1 47.1 -140.5