==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUMO CONJUGATING ENZYME 23-JAN-98 1A3S . COMPND 2 MOLECULE: UBC9; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.H.NAISMITH,M.GIRAUD . 158 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9004.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 105 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 13.9 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 . 1 0.6 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 . 11 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 0 0 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 0 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 163 0, 0.0 4,-0.9 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0 173.2 79.7 54.9 -6.9 2 2 A S T 34 + 0 0 60 1,-0.2 2,-1.9 2,-0.2 64,-0.1 0.192 360.0 54.7 -49.1 178.3 76.4 56.8 -6.9 3 3 A G T 3> S+ 0 0 36 1,-0.2 4,-2.3 0, 0.0 -1,-0.2 -0.438 110.7 52.6 87.4 -63.6 75.2 58.5 -10.1 4 4 A I H <> S+ 0 0 105 -2,-1.9 4,-1.8 -3,-0.9 -1,-0.2 0.946 111.7 50.0 -63.9 -45.6 75.7 55.2 -11.9 5 5 A A H X S+ 0 0 0 -4,-0.9 4,-2.4 61,-0.3 3,-0.5 0.965 110.2 46.1 -53.5 -61.5 73.5 53.9 -9.1 6 6 A L H > S+ 0 0 80 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.853 106.0 61.9 -53.8 -37.5 70.8 56.6 -9.5 7 7 A S H X S+ 0 0 81 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.949 109.0 41.5 -53.4 -51.2 70.8 56.2 -13.2 8 8 A R H X S+ 0 0 38 -4,-1.8 4,-2.9 -3,-0.5 3,-0.5 0.946 114.7 48.8 -63.8 -51.5 69.7 52.6 -12.8 9 9 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.3 5,-0.3 0.943 108.8 55.1 -53.6 -48.6 67.2 53.2 -10.0 10 10 A A H X S+ 0 0 32 -4,-3.3 4,-1.0 1,-0.3 -1,-0.3 0.842 112.8 43.5 -51.4 -37.9 65.7 56.0 -12.1 11 11 A Q H X S+ 0 0 121 -4,-1.4 4,-2.2 -3,-0.5 -1,-0.3 0.861 106.3 61.8 -77.1 -39.8 65.3 53.5 -14.9 12 12 A E H X S+ 0 0 8 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.942 105.0 44.6 -53.0 -55.9 63.9 50.8 -12.6 13 13 A R H X S+ 0 0 98 -4,-2.0 4,-3.5 1,-0.2 5,-0.3 0.896 108.9 57.1 -59.7 -40.9 60.8 52.6 -11.5 14 14 A K H X S+ 0 0 145 -4,-1.0 4,-1.4 -5,-0.3 -1,-0.2 0.936 110.8 45.5 -54.0 -45.8 60.1 53.8 -15.0 15 15 A A H >X S+ 0 0 55 -4,-2.2 4,-1.8 2,-0.2 3,-0.7 0.967 115.4 44.2 -59.8 -59.1 60.0 50.2 -16.0 16 16 A W H 3< S+ 0 0 26 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.915 107.4 59.9 -51.6 -51.4 57.9 49.0 -13.1 17 17 A R H 3< S+ 0 0 180 -4,-3.5 -1,-0.3 1,-0.2 -2,-0.2 0.854 106.2 49.3 -46.0 -41.6 55.5 51.9 -13.4 18 18 A K H << S- 0 0 177 -4,-1.4 2,-0.3 -3,-0.7 -1,-0.2 0.920 132.9 -1.7 -66.5 -46.4 54.8 50.7 -17.0 19 19 A D < + 0 0 100 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.1 -0.941 68.3 152.1-154.8 129.7 54.2 47.1 -15.8 20 20 A H - 0 0 75 -2,-0.3 3,-0.1 -3,-0.2 2,-0.0 -0.931 52.3 -80.7-146.4 162.0 54.3 45.3 -12.4 21 21 A P > - 0 0 26 0, 0.0 3,-1.0 0, 0.0 2,-0.1 -0.379 56.6 -97.5 -68.1 147.9 52.5 42.3 -11.0 22 22 A F T 3 S+ 0 0 207 1,-0.2 3,-0.1 -2,-0.0 -3,-0.0 -0.407 106.9 21.8 -65.8 139.4 49.0 43.0 -9.8 23 23 A G T 3 S+ 0 0 34 1,-0.3 -1,-0.2 -3,-0.1 2,-0.1 -0.094 94.2 110.8 98.5 -36.9 49.0 43.5 -6.0 24 24 A F < - 0 0 12 -3,-1.0 2,-0.4 21,-0.1 -1,-0.3 -0.374 48.8-157.2 -74.8 155.4 52.6 44.4 -5.4 25 25 A V E +A 44 0A 65 19,-1.9 19,-2.9 -3,-0.1 2,-0.3 -0.993 17.5 165.6-133.4 137.8 53.7 47.9 -4.4 26 26 A A E +A 43 0A 11 -2,-0.4 17,-0.2 17,-0.3 84,-0.0 -0.874 12.8 150.0-155.1 115.5 57.1 49.5 -4.9 27 27 A V E -A 42 0A 68 15,-1.8 15,-3.5 -2,-0.3 2,-0.2 -0.988 44.7-107.0-154.2 141.3 57.8 53.2 -4.5 28 28 A P E -A 41 0A 9 0, 0.0 13,-0.3 0, 0.0 10,-0.1 -0.474 41.9-110.4 -68.5 129.4 60.8 55.5 -3.4 29 29 A T - 0 0 19 11,-3.2 8,-2.3 8,-0.4 2,-0.4 -0.383 35.8-111.0 -62.5 138.8 60.4 57.1 -0.0 30 30 A K - 0 0 166 6,-0.2 6,-0.2 -3,-0.1 -1,-0.1 -0.574 22.9-148.9 -73.6 125.4 59.8 60.9 -0.3 31 31 A N - 0 0 71 -2,-0.4 6,-0.1 1,-0.2 3,-0.0 -0.568 47.7 -78.3 -83.1 159.4 62.8 62.8 0.9 32 32 A P S > S+ 0 0 95 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.087 107.2 24.9 -52.9 178.2 61.3 66.1 2.3 33 33 A D T 3 S- 0 0 134 1,-0.3 2,-3.0 -3,-0.1 3,-0.1 0.807 129.9 -54.1 28.5 82.7 60.3 69.0 0.1 34 34 A G T 3 S+ 0 0 78 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.1 0.153 111.4 112.3 52.5 -26.8 59.5 67.4 -3.3 35 35 A T < - 0 0 67 -2,-3.0 2,-0.3 -3,-1.2 -1,-0.1 0.425 53.8-151.8 -55.1-152.2 62.9 65.8 -3.4 36 36 A M - 0 0 62 -6,-0.2 2,-0.6 -3,-0.1 -6,-0.2 -0.914 17.9-128.5 177.3 150.9 63.1 62.0 -3.2 37 37 A N > + 0 0 56 -8,-2.3 3,-0.8 -2,-0.3 -8,-0.4 -0.934 18.6 178.3-117.9 107.0 65.3 59.1 -2.1 38 38 A L T 3 S+ 0 0 35 -2,-0.6 -1,-0.1 1,-0.2 3,-0.1 0.604 79.6 67.9 -80.4 -10.4 65.7 56.5 -4.8 39 39 A M T 3 S+ 0 0 37 1,-0.2 25,-1.6 -10,-0.1 2,-0.2 0.179 99.9 51.5 -94.7 19.7 68.0 54.6 -2.6 40 40 A N E < + B 0 63A 28 -3,-0.8 -11,-3.2 23,-0.2 2,-0.4 -0.779 67.6 176.5-156.0 104.5 65.1 53.7 -0.2 41 41 A W E -AB 28 62A 1 21,-2.5 21,-2.4 -13,-0.3 2,-0.6 -0.866 21.9-145.6-112.1 144.8 61.9 52.2 -1.5 42 42 A E E +AB 27 61A 61 -15,-3.5 -15,-1.8 -2,-0.4 2,-0.3 -0.952 31.7 171.7-107.1 123.8 59.0 51.0 0.5 43 43 A C E -AB 26 60A 3 17,-2.4 17,-2.0 -2,-0.6 2,-0.3 -0.775 20.6-150.5-125.2 174.2 57.4 48.0 -1.2 44 44 A A E -AB 25 59A 11 -19,-2.9 -19,-1.9 -2,-0.3 15,-0.2 -0.995 4.0-152.4-146.4 145.7 54.7 45.5 -0.3 45 45 A I E - B 0 58A 0 13,-2.8 13,-2.4 -2,-0.3 -21,-0.1 -0.973 14.0-137.0-127.0 120.3 54.2 41.9 -1.3 46 46 A P E - B 0 57A 20 0, 0.0 11,-0.2 0, 0.0 8,-0.1 -0.397 30.6-106.6 -68.5 143.4 50.9 40.1 -1.5 47 47 A G - 0 0 5 9,-2.3 2,-0.4 6,-0.3 8,-0.4 -0.396 43.7-101.6 -64.3 152.3 50.6 36.6 -0.1 48 48 A K > - 0 0 90 69,-0.2 3,-1.5 6,-0.1 6,-0.4 -0.660 39.2-113.4 -81.4 129.9 50.4 34.1 -2.9 49 49 A K T 3 S+ 0 0 134 -2,-0.4 -1,-0.1 1,-0.2 4,-0.0 -0.382 100.4 34.4 -62.9 132.9 46.8 32.9 -3.4 50 50 A G T 3 S+ 0 0 72 1,-0.5 -1,-0.2 -2,-0.1 -2,-0.0 0.338 104.9 88.5 103.3 -2.5 46.2 29.3 -2.6 51 51 A T S X S- 0 0 21 -3,-1.5 3,-2.0 1,-0.0 -1,-0.5 -0.770 93.4-104.1-122.4 164.4 48.6 29.4 0.3 52 52 A P T 3 S+ 0 0 22 0, 0.0 100,-0.2 0, 0.0 -3,-0.1 0.635 119.7 64.5 -63.7 -11.2 48.3 30.3 4.0 53 53 A W T > S+ 0 0 2 -5,-0.3 3,-1.6 99,-0.1 -6,-0.3 0.599 77.4 124.3 -85.1 -11.3 50.0 33.6 3.2 54 54 A E T < + 0 0 88 -3,-2.0 -6,-0.1 -6,-0.4 3,-0.1 -0.150 69.5 18.5 -51.5 135.5 47.0 34.5 1.0 55 55 A G T 3 S+ 0 0 44 -8,-0.4 -1,-0.2 1,-0.3 2,-0.2 0.161 93.9 111.3 91.0 -22.6 45.3 37.8 1.8 56 56 A G < - 0 0 3 -3,-1.6 -9,-2.3 100,-0.2 2,-0.5 -0.582 55.4-150.9 -84.1 152.8 48.1 39.4 3.8 57 57 A L E -B 46 0A 65 98,-1.4 2,-0.4 -11,-0.2 -3,-0.0 -0.933 17.5-156.7-126.3 104.1 49.9 42.4 2.3 58 58 A F E -B 45 0A 2 -13,-2.4 -13,-2.8 -2,-0.5 2,-0.4 -0.707 4.0-146.1 -92.4 125.7 53.5 42.5 3.7 59 59 A K E +B 44 0A 92 -2,-0.4 19,-2.3 19,-0.3 2,-0.3 -0.720 22.5 171.7 -91.4 131.1 55.5 45.6 3.8 60 60 A L E -BC 43 77A 0 -17,-2.0 -17,-2.4 -2,-0.4 2,-0.3 -0.997 25.4-131.5-139.5 142.6 59.3 45.4 3.3 61 61 A R E -BC 42 76A 43 15,-4.3 15,-2.9 -2,-0.3 2,-0.5 -0.707 12.9-154.3 -95.0 146.7 61.9 48.1 2.9 62 62 A M E -BC 41 75A 0 -21,-2.4 -21,-2.5 -2,-0.3 2,-0.4 -0.965 12.0-172.4-127.7 111.0 64.5 48.0 0.1 63 63 A L E -BC 40 74A 55 11,-2.6 11,-2.8 -2,-0.5 2,-0.3 -0.876 3.3-163.1-107.4 134.0 67.8 49.8 0.6 64 64 A F - 0 0 14 -25,-1.6 2,-0.2 -2,-0.4 -25,-0.0 -0.872 6.4-145.2-118.2 150.2 70.5 50.4 -2.0 65 65 A K - 0 0 105 -2,-0.3 3,-0.5 6,-0.2 5,-0.1 -0.531 35.4-103.4-101.7 173.5 74.2 51.3 -1.8 66 66 A D S S+ 0 0 80 1,-0.2 -61,-0.3 -2,-0.2 -62,-0.1 0.773 118.2 69.6 -67.3 -25.3 76.3 53.5 -4.2 67 67 A D S > S+ 0 0 82 2,-0.1 3,-1.6 5,-0.1 -1,-0.2 0.920 82.7 158.3 -55.9 -47.4 77.7 50.2 -5.5 68 68 A Y T 3 + 0 0 2 -3,-0.5 -60,-0.2 1,-0.4 -59,-0.1 0.207 63.2 19.7 -24.7 130.7 74.4 49.3 -7.1 69 69 A P T 3 S+ 0 0 24 0, 0.0 -1,-0.4 0, 0.0 38,-0.1 -0.847 120.4 67.5 -89.0 26.6 74.0 47.4 -9.3 70 70 A S S < S+ 0 0 63 -3,-1.6 -2,-0.2 -4,-0.1 -3,-0.1 0.967 113.7 27.0 -65.4 -52.3 77.4 46.1 -8.3 71 71 A S S S- 0 0 15 -6,-0.1 -6,-0.2 1,-0.1 27,-0.1 -0.731 94.5-110.7-106.9 155.9 76.0 44.8 -5.0 72 72 A P - 0 0 20 0, 0.0 -7,-0.1 0, 0.0 -4,-0.1 -0.408 38.5 -94.6 -82.6 167.0 72.3 43.8 -4.5 73 73 A P - 0 0 4 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.342 32.5-116.6 -75.2 157.0 69.9 45.8 -2.3 74 74 A K E -C 63 0A 106 -11,-2.8 -11,-2.6 -2,-0.1 2,-0.6 -0.845 30.5-156.8 -93.9 133.4 69.2 44.9 1.4 75 75 A C E -C 62 0A 1 -2,-0.5 17,-2.4 17,-0.3 2,-0.4 -0.954 12.6-178.0-117.8 116.7 65.6 43.9 1.8 76 76 A K E -CD 61 91A 81 -15,-2.9 -15,-4.3 -2,-0.6 2,-0.4 -0.950 22.6-136.4-115.7 130.7 64.0 44.2 5.2 77 77 A F E -C 60 0A 3 13,-3.1 -17,-0.3 -2,-0.4 -2,-0.0 -0.687 31.0-122.1 -79.9 129.5 60.5 43.2 6.2 78 78 A E S S+ 0 0 76 -19,-2.3 -19,-0.3 -2,-0.4 12,-0.1 -0.923 100.9 13.4-123.0 112.3 58.9 45.9 8.4 79 79 A P S S- 0 0 79 0, 0.0 -20,-0.1 0, 0.0 10,-0.1 0.658 114.7-101.8 -71.5 178.6 58.2 44.7 10.9 80 80 A P - 0 0 61 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.271 37.2-131.2 -63.2 151.4 60.1 41.3 10.7 81 81 A L - 0 0 7 6,-0.2 2,-1.2 9,-0.1 9,-0.1 -0.781 16.8-110.1-108.4 151.2 58.0 38.3 9.7 82 82 A F S S+ 0 0 24 -2,-0.3 69,-0.1 65,-0.1 5,-0.1 -0.671 70.9 122.1 -76.7 101.3 57.9 34.8 11.3 83 83 A H > - 0 0 1 -2,-1.2 3,-1.8 3,-0.4 51,-0.2 -0.957 69.9-117.2-161.6 138.1 59.6 32.8 8.6 84 84 A P T 3 S+ 0 0 2 0, 0.0 46,-1.7 0, 0.0 45,-0.9 0.715 112.1 44.8 -55.2 -20.4 62.7 30.5 8.5 85 85 A N T 3 S+ 0 0 1 44,-0.2 8,-3.0 43,-0.2 2,-0.5 0.155 94.7 86.5-112.5 23.8 64.6 32.7 6.0 86 86 A V B < S-E 92 0B 2 -3,-1.8 -3,-0.4 6,-0.2 6,-0.2 -0.981 76.5-132.1-120.8 116.5 63.9 36.1 7.6 87 87 A Y > - 0 0 92 4,-2.8 3,-3.1 -2,-0.5 -6,-0.2 -0.235 29.1-105.2 -63.2 158.1 66.3 37.1 10.3 88 88 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 42,-0.1 0.746 123.6 62.3 -56.1 -22.1 64.8 38.5 13.6 89 89 A S T 3 S- 0 0 71 2,-0.1 3,-0.1 -10,-0.1 -2,-0.1 0.537 122.5-108.2 -80.6 -8.7 65.9 41.9 12.3 90 90 A G S < S+ 0 0 0 -3,-3.1 -13,-3.1 1,-0.3 2,-0.2 0.311 72.0 142.9 98.3 -8.1 63.6 41.5 9.3 91 91 A T B -D 76 0A 42 -15,-0.3 -4,-2.8 -5,-0.1 2,-0.4 -0.445 45.8-134.3 -68.4 136.3 66.4 41.0 6.8 92 92 A V B -E 86 0B 6 -17,-2.4 2,-0.8 -6,-0.2 -17,-0.3 -0.770 7.0-149.9 -94.7 135.2 65.6 38.5 4.1 93 93 A C + 0 0 10 -8,-3.0 2,-0.4 -2,-0.4 36,-0.1 -0.869 33.6 151.6-105.5 103.4 68.2 35.8 3.2 94 94 A L > - 0 0 30 -2,-0.8 3,-1.8 1,-0.1 22,-0.0 -0.984 49.3-126.3-129.7 141.6 67.8 34.9 -0.5 95 95 A S G > S+ 0 0 44 -2,-0.4 7,-1.6 1,-0.3 3,-1.4 0.812 109.0 57.3 -60.1 -32.2 70.6 33.7 -2.8 96 96 A I G 3 S+ 0 0 35 1,-0.3 -1,-0.3 6,-0.2 8,-0.3 0.566 100.2 61.6 -74.0 -8.4 70.0 36.4 -5.5 97 97 A L G < S+ 0 0 17 -3,-1.8 2,-0.5 6,-0.1 -1,-0.3 0.183 87.5 90.2 -98.5 12.4 70.6 38.9 -2.7 98 98 A E X > - 0 0 51 -3,-1.4 5,-1.9 1,-0.1 3,-0.9 -0.956 69.2-148.2-113.1 128.3 74.1 37.6 -2.1 99 99 A E T 3 5S+ 0 0 122 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.0 0.909 102.9 42.4 -59.9 -44.5 77.0 39.2 -4.1 100 100 A D T 3 5S+ 0 0 132 -3,-0.1 -1,-0.3 2,-0.1 -4,-0.1 0.482 118.9 47.3 -82.4 -3.0 78.9 35.9 -4.1 101 101 A K T < 5S- 0 0 108 -3,-0.9 -5,-0.2 -6,-0.2 -6,-0.1 0.371 125.8 -32.9-106.6-116.2 75.8 33.9 -4.8 102 102 A D T 5S+ 0 0 95 -7,-1.6 -6,-0.2 2,-0.0 -3,-0.1 0.334 85.4 131.0 -94.0 12.7 73.2 34.5 -7.5 103 103 A W < + 0 0 16 -5,-1.9 -6,-0.1 -8,-0.5 -7,-0.1 -0.402 29.4 177.5 -65.1 133.9 73.2 38.3 -7.6 104 104 A R > - 0 0 176 -8,-0.3 3,-2.4 -2,-0.1 -34,-0.1 -0.998 36.3-127.9-138.3 135.7 73.5 39.8 -11.1 105 105 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -35,-0.1 0.765 107.7 62.0 -52.7 -29.8 73.4 43.5 -12.0 106 106 A A T 3 S+ 0 0 72 2,-0.1 -3,-0.0 -3,-0.0 0, 0.0 0.640 75.9 120.9 -74.9 -12.7 70.6 42.8 -14.6 107 107 A I < - 0 0 12 -3,-2.4 2,-0.3 -38,-0.1 3,-0.0 -0.216 59.3-132.2 -54.9 139.4 68.2 41.6 -11.9 108 108 A T >> - 0 0 43 1,-0.1 4,-3.1 -96,-0.0 3,-0.5 -0.703 14.1-125.3 -98.3 144.5 65.0 43.6 -11.7 109 109 A I H 3> S+ 0 0 2 -2,-0.3 4,-3.2 1,-0.3 5,-0.2 0.935 118.6 53.8 -50.2 -43.0 63.3 45.0 -8.7 110 110 A K H 3> S+ 0 0 65 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.858 107.6 48.0 -58.7 -38.8 60.3 43.1 -10.0 111 111 A Q H <> S+ 0 0 92 -3,-0.5 4,-3.1 2,-0.2 -1,-0.2 0.915 112.5 49.8 -70.9 -39.8 62.3 39.8 -10.2 112 112 A I H X S+ 0 0 0 -4,-3.1 4,-3.3 2,-0.2 -2,-0.2 0.975 114.2 44.6 -58.5 -56.1 63.6 40.5 -6.6 113 113 A L H X S+ 0 0 0 -4,-3.2 4,-2.9 2,-0.2 -2,-0.2 0.928 115.8 45.4 -54.7 -52.8 60.1 41.1 -5.4 114 114 A L H X S+ 0 0 59 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.970 112.4 53.1 -56.5 -51.5 58.5 38.1 -7.2 115 115 A G H X S+ 0 0 28 -4,-3.1 4,-0.9 -5,-0.2 -2,-0.2 0.917 109.9 48.2 -47.2 -50.9 61.4 36.0 -6.0 116 116 A I H >X S+ 0 0 1 -4,-3.3 4,-1.3 1,-0.2 3,-1.2 0.924 107.2 55.3 -59.6 -45.9 60.8 37.1 -2.4 117 117 A Q H >X S+ 0 0 20 -4,-2.9 4,-0.7 1,-0.3 3,-0.5 0.906 106.9 51.3 -53.9 -40.5 57.0 36.4 -2.7 118 118 A E H 3X S+ 0 0 103 -4,-2.4 4,-0.7 1,-0.2 -1,-0.3 0.697 102.1 60.2 -71.9 -16.6 57.8 32.8 -3.8 119 119 A L H << S+ 0 0 16 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.2 0.809 91.1 71.8 -78.7 -29.1 60.1 32.2 -0.8 120 120 A L H << S+ 0 0 4 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.898 110.2 26.7 -53.1 -47.2 57.3 32.9 1.6 121 121 A N H < S+ 0 0 72 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.631 125.5 50.4 -95.1 -10.0 55.4 29.7 0.9 122 122 A E S < S- 0 0 132 -4,-0.7 -1,-0.2 2,-0.0 -2,-0.1 -0.617 79.7-170.8-126.4 70.2 58.5 27.7 -0.1 123 123 A P - 0 0 18 0, 0.0 2,-0.7 0, 0.0 -3,-0.1 -0.165 21.9-125.5 -59.9 153.6 61.1 28.3 2.7 124 124 A N > - 0 0 64 3,-0.2 3,-2.0 1,-0.1 -2,-0.0 -0.799 16.8-168.1-110.3 94.8 64.6 27.1 2.3 125 125 A I T 3 S+ 0 0 71 -2,-0.7 -1,-0.1 1,-0.3 13,-0.0 0.617 80.3 74.7 -50.5 -17.4 65.7 24.9 5.1 126 126 A Q T 3 S+ 0 0 154 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.871 99.6 42.4 -68.3 -35.3 69.3 25.1 3.9 127 127 A D S < S- 0 0 34 -3,-2.0 2,-1.6 -34,-0.1 -1,-0.3 -0.803 72.5-169.8-119.4 91.6 69.7 28.7 5.2 128 128 A P + 0 0 54 0, 0.0 -43,-0.2 0, 0.0 3,-0.1 -0.520 19.3 160.5 -75.8 70.8 68.1 29.0 8.7 129 129 A A S S+ 0 0 14 -2,-1.6 2,-0.6 -45,-0.9 -44,-0.2 0.892 72.4 44.5 -62.9 -38.7 68.1 32.8 9.3 130 130 A Q S > S- 0 0 25 -46,-1.7 4,-1.9 -3,-0.2 -1,-0.2 -0.912 70.5-166.8-113.2 106.4 65.4 32.5 12.0 131 131 A A H > S+ 0 0 67 -2,-0.6 4,-3.4 2,-0.2 -1,-0.2 0.939 85.4 46.7 -54.5 -60.4 66.0 29.7 14.4 132 132 A E H > S+ 0 0 117 1,-0.3 4,-2.2 2,-0.2 5,-0.4 0.960 114.2 47.4 -49.2 -61.6 62.6 29.6 16.1 133 133 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.873 115.9 48.9 -48.4 -36.6 60.7 29.7 12.8 134 134 A Y H X S+ 0 0 80 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.915 108.9 50.2 -70.5 -46.1 63.2 27.0 11.7 135 135 A T H >X S+ 0 0 63 -4,-3.4 4,-2.5 1,-0.2 3,-0.9 0.985 114.9 42.7 -55.7 -62.5 62.7 24.7 14.8 136 136 A I H 3X S+ 0 0 26 -4,-2.2 4,-1.0 1,-0.3 8,-0.4 0.870 109.1 58.5 -54.2 -41.7 58.9 24.8 14.6 137 137 A Y H 3< S+ 0 0 41 -4,-1.9 -1,-0.3 -5,-0.4 -2,-0.2 0.842 113.6 39.0 -61.0 -32.0 58.9 24.3 10.8 138 138 A C H << S+ 0 0 76 -4,-1.6 3,-0.2 -3,-0.9 -2,-0.2 0.914 127.7 27.8 -86.1 -43.8 60.9 21.1 11.1 139 139 A Q H < S+ 0 0 154 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.095 132.0 27.5-105.7 25.4 59.4 19.4 14.2 140 140 A N >X + 0 0 78 -4,-1.0 4,-2.3 -5,-0.2 3,-0.7 -0.003 53.4 165.7-178.5 61.7 55.9 20.9 14.1 141 141 A R H 3> S+ 0 0 111 -3,-0.2 4,-2.8 1,-0.2 5,-0.2 0.778 80.4 61.6 -58.5 -27.6 54.4 22.0 10.7 142 142 A V H 3> S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.937 109.1 42.6 -65.1 -42.2 50.8 22.2 12.2 143 143 A E H <> S+ 0 0 54 -3,-0.7 4,-2.9 2,-0.2 5,-0.3 0.938 110.6 55.5 -65.1 -47.1 52.1 24.9 14.5 144 144 A Y H X S+ 0 0 5 -4,-2.3 4,-2.1 -8,-0.4 -2,-0.2 0.913 109.6 48.1 -50.8 -45.8 54.1 26.5 11.7 145 145 A E H X S+ 0 0 69 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.896 109.0 53.4 -61.9 -42.8 50.8 26.7 9.8 146 146 A K H X S+ 0 0 131 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.951 110.5 46.1 -57.7 -52.5 48.9 28.2 12.7 147 147 A R H X S+ 0 0 94 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.883 112.8 49.6 -60.2 -40.6 51.5 31.0 13.2 148 148 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.3 5,-0.2 0.944 108.7 51.1 -65.1 -48.9 51.6 31.8 9.4 149 149 A R H X S+ 0 0 80 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.922 110.7 49.9 -52.3 -47.6 47.8 32.0 9.0 150 150 A A H X S+ 0 0 59 -4,-2.0 4,-3.2 1,-0.2 -1,-0.2 0.929 111.3 49.5 -56.3 -46.9 47.6 34.4 12.0 151 151 A Q H X S+ 0 0 21 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.880 108.5 51.7 -61.7 -41.2 50.3 36.5 10.5 152 152 A A H < S+ 0 0 1 -4,-2.8 -1,-0.2 -100,-0.2 -2,-0.2 0.882 113.4 45.4 -66.7 -33.6 48.6 36.7 7.1 153 153 A K H >< S+ 0 0 123 -4,-2.0 3,-2.5 -5,-0.2 -2,-0.2 0.964 104.9 61.0 -70.5 -53.2 45.4 37.8 8.8 154 154 A K H 3< S+ 0 0 161 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.751 114.7 35.6 -44.0 -31.3 47.2 40.3 11.0 155 155 A F T 3< S+ 0 0 57 -4,-1.2 -98,-1.4 -5,-0.2 -1,-0.3 0.290 85.6 124.1-112.2 11.4 48.3 42.1 7.8 156 156 A A S < S- 0 0 36 -3,-2.5 -100,-0.2 -100,-0.2 -3,-0.0 -0.502 73.1 -89.4 -75.2 143.7 45.4 41.7 5.5 157 157 A P 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.185 360.0 360.0 -53.0 133.5 43.8 44.9 4.1 158 158 A S 0 0 187 -3,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.032 360.0 360.0-162.2 360.0 41.1 46.6 6.2