==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UBIQUITIN CONJUGATION 19-JAN-99 2E2C . COMPND 2 MOLECULE: UBIQUITIN CONJUGATING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: SPISULA SOLIDISSIMA; . AUTHOR F.JIANG,R.BASAVAPPA . 156 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9560.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 96 61.5 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 . 25 16.0 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 . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 9 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 26.9 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 1 0 0 0 0 1 0 0 0 1 0 1 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 . 3 0 0 1 1 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 1 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 22 A M 0 0 232 0, 0.0 2,-0.4 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 68.5 -3.4 10.2 50.8 2 23 A T - 0 0 123 2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.979 360.0 -44.1-122.2 127.2 -6.8 11.2 52.0 3 24 A T - 0 0 116 -2,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.167 55.7-128.5 54.7-142.8 -8.2 14.7 51.7 4 25 A S + 0 0 92 -3,-0.0 -1,-0.1 3,-0.0 -2,-0.0 0.249 49.4 145.4 178.6 -3.6 -5.8 17.5 52.6 5 26 A K + 0 0 186 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.230 62.7 9.8 -57.5 138.1 -7.7 19.7 55.1 6 27 A E S S+ 0 0 178 1,-0.1 2,-0.2 0, 0.0 -1,-0.1 0.938 80.7 159.1 55.5 103.1 -5.7 21.4 57.9 7 28 A R - 0 0 163 2,-0.0 2,-0.3 5,-0.0 -1,-0.1 -0.694 21.3-147.8-136.5-172.7 -1.9 21.0 57.4 8 29 A H + 0 0 71 -2,-0.2 2,-0.2 4,-0.0 3,-0.1 -0.984 23.4 148.0-165.8 155.4 1.4 22.6 58.4 9 30 A S > - 0 0 64 -2,-0.3 4,-2.2 1,-0.1 3,-0.4 -0.792 48.7-115.1 179.0 142.2 5.0 23.4 57.5 10 31 A V H > S+ 0 0 21 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.908 117.1 52.7 -55.3 -45.1 7.2 26.3 58.5 11 32 A S H > S+ 0 0 51 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.848 109.4 50.7 -59.7 -35.0 7.4 27.7 55.0 12 33 A K H > S+ 0 0 103 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.910 110.7 46.8 -69.5 -45.0 3.6 27.6 54.9 13 34 A R H X S+ 0 0 59 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.910 111.2 53.0 -63.5 -42.9 3.2 29.5 58.2 14 35 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.856 107.2 52.0 -61.1 -37.7 5.8 32.1 57.1 15 36 A Q H X S+ 0 0 92 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.916 110.0 47.6 -64.8 -46.8 3.9 32.7 53.8 16 37 A Q H X S+ 0 0 96 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.831 113.9 48.1 -63.7 -34.4 0.6 33.3 55.6 17 38 A E H X S+ 0 0 12 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.845 109.4 52.6 -74.3 -34.2 2.4 35.7 58.0 18 39 A L H X S+ 0 0 25 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.735 112.2 46.9 -72.3 -24.9 4.1 37.5 55.2 19 40 A R H X S+ 0 0 139 -4,-1.3 4,-3.1 2,-0.2 5,-0.3 0.945 111.2 47.7 -79.7 -53.5 0.7 38.0 53.5 20 41 A T H X S+ 0 0 57 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.844 114.5 50.7 -55.6 -34.5 -1.2 39.2 56.6 21 42 A L H X S+ 0 0 11 -4,-1.8 4,-1.4 2,-0.2 5,-0.4 0.980 113.6 40.8 -67.9 -57.0 1.8 41.6 57.2 22 43 A L H < S+ 0 0 109 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.837 118.0 49.1 -61.6 -34.5 1.9 43.1 53.8 23 44 A M H < S+ 0 0 156 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.843 103.1 60.6 -74.7 -35.5 -1.9 43.3 53.6 24 45 A S H < S- 0 0 55 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.864 87.5-155.2 -59.9 -40.7 -2.3 44.9 57.0 25 46 A G < - 0 0 57 -4,-1.4 -3,-0.1 1,-0.2 -4,-0.1 0.944 12.3-171.2 63.5 52.7 -0.2 47.9 56.0 26 47 A D > - 0 0 25 -5,-0.4 3,-1.4 3,-0.1 -1,-0.2 -0.630 31.4-107.7 -76.7 127.9 1.0 49.2 59.3 27 48 A P T 3 S+ 0 0 112 0, 0.0 19,-0.1 0, 0.0 -1,-0.1 -0.299 98.3 11.6 -59.2 133.6 2.7 52.6 59.0 28 49 A G T 3 S+ 0 0 21 1,-0.2 18,-2.6 17,-0.1 2,-0.4 0.659 103.7 108.4 75.1 17.2 6.5 52.5 59.3 29 50 A I E < +A 45 0A 19 -3,-1.4 2,-0.3 16,-0.2 16,-0.2 -0.995 34.3 161.6-132.2 129.7 6.8 48.7 59.1 30 51 A T E +A 44 0A 67 14,-2.2 14,-2.9 -2,-0.4 2,-0.3 -0.985 4.5 170.1-142.5 144.8 8.2 46.6 56.3 31 52 A A E +A 43 0A 4 -2,-0.3 12,-0.2 12,-0.3 -9,-0.1 -0.919 4.1 158.0-161.4 131.8 9.4 43.0 56.2 32 53 A F E -A 42 0A 92 10,-1.7 10,-2.4 -2,-0.3 -2,-0.0 -0.983 49.6 -82.7-151.9 150.2 10.4 40.6 53.4 33 54 A P E -A 41 0A 29 0, 0.0 8,-0.3 0, 0.0 5,-0.2 -0.183 53.1-100.9 -51.9 150.3 12.5 37.5 53.2 34 55 A D S S- 0 0 94 6,-4.0 2,-0.2 3,-0.7 7,-0.1 0.668 79.1 -77.0 -49.2 -16.4 16.3 38.3 52.8 35 56 A G S S+ 0 0 60 2,-0.6 -1,-0.1 5,-0.3 7,-0.0 -0.648 114.3 5.1 158.4 -88.7 15.6 37.5 49.1 36 57 A D S S+ 0 0 166 -2,-0.2 2,-0.7 2,-0.0 -2,-0.0 0.462 112.8 89.7-100.4 -10.5 15.3 33.8 48.2 37 58 A N > - 0 0 67 3,-0.2 -3,-0.7 1,-0.1 -2,-0.6 -0.840 50.4-177.5 -93.5 114.9 15.6 32.8 51.9 38 59 A L T 3 S+ 0 0 27 -2,-0.7 -1,-0.1 1,-0.2 3,-0.1 0.628 80.3 63.5 -84.7 -16.1 12.2 32.6 53.6 39 60 A F T 3 S+ 0 0 69 1,-0.2 25,-2.0 24,-0.1 2,-0.3 0.325 102.3 51.9 -90.7 7.9 13.8 31.7 56.9 40 61 A K E < S- B 0 63A 44 -3,-0.5 -6,-4.0 23,-0.2 2,-0.3 -0.921 70.0-176.0-146.9 110.0 15.6 35.0 57.2 41 62 A W E -AB 33 62A 0 21,-2.9 21,-2.2 -2,-0.3 2,-0.5 -0.755 17.9-145.9-107.9 158.1 13.8 38.3 56.8 42 63 A V E -AB 32 61A 47 -10,-2.4 -10,-1.7 -2,-0.3 2,-0.3 -0.994 25.6-168.9-120.8 125.6 15.0 41.9 56.8 43 64 A A E -AB 31 60A 0 17,-2.1 17,-2.4 -2,-0.5 2,-0.4 -0.803 15.5-148.6-117.5 160.9 12.7 44.3 58.3 44 65 A T E -AB 30 59A 33 -14,-2.9 -14,-2.2 -2,-0.3 2,-0.4 -0.997 13.7-175.7-130.5 132.5 12.4 48.1 58.5 45 66 A L E -AB 29 58A 1 13,-2.5 13,-2.5 -2,-0.4 2,-0.3 -0.993 15.0-148.1-132.2 125.0 10.8 50.0 61.4 46 67 A D E - B 0 57A 53 -18,-2.6 11,-0.2 -2,-0.4 8,-0.1 -0.706 39.1 -98.3 -86.6 141.3 10.3 53.8 61.7 47 68 A G - 0 0 7 9,-3.2 8,-0.5 6,-0.5 -1,-0.1 -0.286 52.4 -91.9 -57.3 143.0 10.6 55.2 65.2 48 69 A P > - 0 0 17 0, 0.0 3,-0.6 0, 0.0 5,-0.2 -0.208 44.3-104.2 -57.2 148.3 7.1 55.6 66.8 49 70 A K T 3 S+ 0 0 167 1,-0.2 3,-0.1 5,-0.1 70,-0.0 -0.455 101.2 27.5 -74.8 149.6 5.4 58.9 66.4 50 71 A D T 3 S+ 0 0 151 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.820 105.5 93.6 68.7 32.6 5.2 61.3 69.4 51 72 A T S X S- 0 0 40 -3,-0.6 3,-1.4 -4,-0.1 -1,-0.3 -0.881 93.4 -99.0-141.2 172.0 8.5 60.0 70.8 52 73 A V T 3 S+ 0 0 12 -2,-0.3 -5,-0.1 1,-0.3 -3,-0.1 0.594 119.1 64.9 -70.8 -12.2 12.2 60.9 70.6 53 74 A Y T > S+ 0 0 0 -5,-0.2 3,-1.9 2,-0.1 -6,-0.5 0.407 72.3 126.0 -90.0 -0.7 12.5 58.1 68.0 54 75 A E T < S+ 0 0 78 -3,-1.4 3,-0.1 1,-0.2 -5,-0.1 -0.388 75.3 18.8 -62.5 136.7 10.3 59.9 65.5 55 76 A S T 3 S+ 0 0 102 -8,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.232 99.6 116.7 84.5 -7.2 11.9 60.3 62.1 56 77 A L < - 0 0 7 -3,-1.9 -9,-3.2 -8,-0.1 2,-0.4 -0.686 51.1-154.2 -92.3 144.4 14.5 57.6 62.9 57 78 A K E -B 46 0A 106 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.964 7.6-166.8-124.4 136.4 14.6 54.4 60.8 58 79 A Y E -B 45 0A 2 -13,-2.5 -13,-2.5 -2,-0.4 2,-0.4 -0.960 9.4-151.0-126.3 137.3 16.0 51.0 61.9 59 80 A K E +B 44 0A 112 -2,-0.4 19,-3.3 -15,-0.2 20,-2.0 -0.825 23.0 174.1-103.9 141.8 16.8 47.9 59.9 60 81 A L E -BC 43 77A 0 -17,-2.4 -17,-2.1 -2,-0.4 2,-0.3 -0.878 23.4-135.4-138.6 172.5 16.5 44.5 61.5 61 82 A T E -BC 42 76A 16 15,-2.2 15,-2.0 -2,-0.3 2,-0.4 -0.949 8.6-159.9-131.2 144.8 16.8 40.8 60.7 62 83 A L E -BC 41 75A 0 -21,-2.2 -21,-2.9 -2,-0.3 2,-0.6 -0.973 7.1-165.6-128.8 113.8 14.4 38.0 61.8 63 84 A E E -BC 40 74A 75 11,-2.1 11,-2.3 -2,-0.4 -23,-0.2 -0.912 11.5-146.9-106.7 111.4 15.8 34.5 61.7 64 85 A F - 0 0 9 -25,-2.0 -2,-0.0 -2,-0.6 -26,-0.0 -0.694 12.8-141.3 -85.2 116.1 13.2 31.7 61.9 65 86 A P > - 0 0 23 0, 0.0 3,-1.1 0, 0.0 6,-0.1 -0.030 29.9-100.3 -65.4 171.0 14.2 28.5 63.7 66 87 A S T 3 S+ 0 0 102 1,-0.2 -56,-0.1 3,-0.0 -2,-0.0 0.604 120.7 56.6 -71.6 -8.4 13.2 25.0 62.7 67 88 A D T > S+ 0 0 81 5,-0.1 3,-2.0 2,-0.1 -1,-0.2 0.497 87.1 173.0-100.8 -6.3 10.5 25.0 65.3 68 89 A Y T < + 0 0 2 -3,-1.1 -55,-0.1 1,-0.3 -54,-0.1 -0.124 60.4 19.6 -48.1 141.5 8.6 28.1 64.3 69 90 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 36,-0.2 -0.946 124.3 57.1 -89.1 13.1 6.0 29.2 65.3 70 91 A Y S < S+ 0 0 149 -3,-2.0 -2,-0.2 33,-0.1 33,-0.1 0.477 113.7 43.5 -82.5 1.9 6.5 27.2 68.5 71 92 A K S S- 0 0 104 -6,-0.1 31,-0.1 31,-0.1 27,-0.1 -0.977 96.2-109.0-141.0 142.2 9.8 28.9 69.0 72 93 A P - 0 0 33 0, 0.0 -5,-0.1 0, 0.0 -4,-0.1 -0.421 31.1-113.3 -77.6 149.9 10.4 32.7 68.6 73 94 A P - 0 0 5 0, 0.0 2,-0.8 0, 0.0 -9,-0.2 -0.362 33.0-105.8 -73.8 162.3 12.5 34.0 65.7 74 95 A V E -C 63 0A 73 -11,-2.3 -11,-2.1 -2,-0.0 2,-0.5 -0.859 39.3-166.2 -91.2 111.2 15.8 35.7 66.5 75 96 A V E +C 62 0A 8 -2,-0.8 17,-0.7 -13,-0.2 2,-0.3 -0.903 13.1 168.9-104.3 124.0 15.2 39.4 66.1 76 97 A K E -CD 61 91A 56 -15,-2.0 -15,-2.2 -2,-0.5 2,-0.3 -0.982 34.4-121.2-133.7 146.5 18.3 41.7 65.9 77 98 A F E -C 60 0A 9 13,-2.3 -17,-0.3 -2,-0.3 4,-0.1 -0.678 19.9-177.1 -84.9 134.4 18.8 45.3 65.0 78 99 A T S S+ 0 0 72 -19,-3.3 -18,-0.2 -2,-0.3 -1,-0.2 0.707 77.3 66.9 -96.7 -32.7 21.3 45.7 62.1 79 100 A T S S- 0 0 30 -20,-2.0 -1,-0.1 -3,-0.1 70,-0.0 -0.764 109.1-103.1 -84.9 124.2 21.0 49.5 62.5 80 101 A P - 0 0 82 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.235 38.7-158.8 -51.3 130.7 22.5 50.4 65.8 81 102 A C - 0 0 7 6,-0.4 2,-1.0 -4,-0.1 9,-0.1 -0.939 10.6-156.8-122.6 107.3 19.8 51.1 68.3 82 103 A W + 0 0 36 -2,-0.5 5,-0.1 63,-0.1 3,-0.1 -0.757 46.5 131.0 -82.1 103.9 20.6 53.2 71.4 83 104 A H B > -E 86 0B 1 -2,-1.0 3,-1.9 3,-0.5 48,-0.1 -0.965 68.5-115.6-156.8 146.5 17.8 52.0 73.7 84 105 A P T 3 S+ 0 0 0 0, 0.0 43,-2.4 0, 0.0 44,-2.2 0.821 117.2 43.2 -50.7 -39.5 17.5 50.7 77.3 85 106 A N T 3 S+ 0 0 2 41,-0.2 8,-2.2 42,-0.2 2,-0.4 0.062 105.2 76.4 -99.9 22.3 16.4 47.2 76.1 86 107 A V B < -EF 83 92B 1 -3,-1.9 -3,-0.5 6,-0.2 6,-0.2 -0.998 65.5-146.8-135.8 135.4 18.9 46.9 73.3 87 108 A D > - 0 0 46 4,-2.0 3,-1.3 -2,-0.4 -6,-0.4 -0.351 35.3 -97.0 -93.9 177.9 22.6 46.1 73.3 88 109 A Q T 3 S+ 0 0 190 1,-0.3 -1,-0.1 39,-0.2 40,-0.0 0.724 123.7 55.3 -64.8 -24.0 25.5 47.2 71.1 89 110 A S T 3 S- 0 0 68 2,-0.1 -1,-0.3 -9,-0.1 -3,-0.0 0.531 120.2-109.0 -84.4 -9.3 25.3 44.0 69.1 90 111 A G < + 0 0 3 -3,-1.3 -13,-2.3 1,-0.3 -2,-0.1 0.478 66.9 149.7 94.8 0.5 21.6 44.7 68.4 91 112 A N B -D 76 0A 58 -15,-0.2 -4,-2.0 1,-0.1 2,-0.3 -0.426 35.8-139.0 -66.8 145.7 20.2 42.0 70.5 92 113 A I B -F 86 0B 26 -17,-0.7 2,-0.7 -6,-0.2 -6,-0.2 -0.823 15.4-151.4-115.6 148.1 16.8 42.8 72.0 93 114 A C + 0 0 51 -8,-2.2 2,-0.4 -2,-0.3 34,-0.1 -0.933 39.7 147.5-113.3 97.2 15.1 42.3 75.4 94 115 A L > - 0 0 17 -2,-0.7 3,-1.0 1,-0.1 4,-0.3 -0.997 47.8-134.9-135.3 133.5 11.4 42.0 74.6 95 116 A D G > >S+ 0 0 76 -2,-0.4 3,-2.3 1,-0.2 5,-1.8 0.928 104.2 52.7 -54.3 -53.1 9.0 39.9 76.6 96 117 A I G 3 5S+ 0 0 18 1,-0.3 -1,-0.2 4,-0.2 6,-0.2 0.657 104.4 59.9 -59.9 -17.1 7.2 38.3 73.6 97 118 A L G < 5S+ 0 0 26 -3,-1.0 -1,-0.3 4,-0.1 -2,-0.2 0.478 120.1 15.5 -89.6 -4.1 10.5 37.3 72.2 98 119 A K T X 5S- 0 0 156 -3,-2.3 3,-1.8 -4,-0.3 -3,-0.1 0.106 131.8 -0.9-131.3-114.2 11.4 35.1 75.3 99 120 A E T 3 5S+ 0 0 124 1,-0.3 -3,-0.1 -2,-0.0 -4,-0.1 0.738 129.2 54.5 -59.6 -23.3 9.3 33.7 78.2 100 121 A N T 3 - 0 0 59 -6,-0.2 3,-2.3 4,-0.1 -31,-0.1 -0.989 37.8-128.1-140.1 137.3 3.2 32.0 72.1 103 124 A A T 3 S+ 0 0 38 -2,-0.3 -33,-0.1 1,-0.3 -32,-0.1 0.500 106.0 74.2 -63.6 -3.7 2.8 30.4 68.6 104 125 A S T 3 S+ 0 0 107 2,-0.1 -1,-0.3 -34,-0.1 2,-0.3 0.440 82.2 85.6 -86.4 -6.2 -0.4 32.5 68.4 105 126 A Y < - 0 0 69 -3,-2.3 2,-0.2 -36,-0.2 -4,-0.0 -0.684 65.2-160.0 -90.8 154.4 1.7 35.6 67.8 106 127 A D > - 0 0 40 -2,-0.3 4,-1.5 -89,-0.0 -4,-0.1 -0.503 37.0 -91.7-121.0-171.4 3.0 36.5 64.3 107 128 A V H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.856 123.6 59.6 -72.3 -33.0 5.8 38.7 62.9 108 129 A R H > S+ 0 0 83 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.924 104.2 50.1 -59.7 -43.5 3.4 41.7 62.7 109 130 A T H > S+ 0 0 42 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.955 110.9 49.5 -60.4 -48.2 2.9 41.4 66.5 110 131 A I H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.914 115.3 42.5 -56.3 -50.3 6.7 41.4 67.1 111 132 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.826 116.4 46.2 -69.1 -36.5 7.3 44.4 64.9 112 133 A L H X S+ 0 0 49 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.921 116.2 46.8 -71.4 -43.2 4.4 46.5 66.1 113 134 A S H X S+ 0 0 45 -4,-2.9 4,-1.7 -5,-0.3 -2,-0.2 0.916 113.9 47.0 -62.8 -46.7 5.3 45.6 69.7 114 135 A L H X S+ 0 0 2 -4,-2.6 4,-1.2 -5,-0.3 -1,-0.2 0.898 108.3 55.8 -63.1 -42.0 9.0 46.4 69.2 115 136 A Q H < S+ 0 0 26 -4,-1.9 4,-0.5 1,-0.2 3,-0.4 0.893 111.5 44.6 -57.5 -42.4 8.2 49.7 67.4 116 137 A S H >X S+ 0 0 71 -4,-1.7 4,-0.9 1,-0.2 3,-0.7 0.788 102.0 66.6 -72.3 -30.0 6.2 50.7 70.5 117 138 A L H 3< S+ 0 0 13 -4,-1.7 -1,-0.2 1,-0.2 3,-0.2 0.809 87.8 69.7 -62.1 -29.8 8.9 49.5 72.9 118 139 A L T 3< S+ 0 0 2 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.923 110.9 30.7 -54.8 -44.2 11.1 52.3 71.5 119 140 A G T <4 S+ 0 0 12 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.523 125.5 49.7 -91.7 -6.6 9.0 54.9 73.2 120 141 A E S < S+ 0 0 141 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.1 -0.600 77.0 174.4-130.8 70.5 8.0 52.6 76.1 121 142 A P - 0 0 15 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 -0.253 32.9-129.5 -75.8 167.3 11.2 51.0 77.5 122 143 A N - 0 0 77 1,-0.1 3,-0.2 3,-0.1 10,-0.1 -0.937 22.9-177.2-115.8 97.0 11.5 48.7 80.5 123 144 A N + 0 0 63 -2,-0.6 -1,-0.1 1,-0.2 12,-0.0 0.357 56.5 100.0 -78.9 6.2 14.2 50.3 82.6 124 145 A A S S+ 0 0 92 1,-0.3 -1,-0.2 8,-0.0 8,-0.0 0.980 102.9 1.1 -53.5 -75.9 14.1 47.5 85.2 125 146 A S S S- 0 0 106 -3,-0.2 -1,-0.3 7,-0.0 2,-0.1 -0.791 90.5-161.9-122.2 86.2 17.0 45.4 84.1 126 147 A P - 0 0 44 0, 0.0 3,-0.3 0, 0.0 -41,-0.2 -0.325 29.7-155.0 -71.9 144.0 18.5 47.3 81.0 127 148 A L S S+ 0 0 82 -43,-2.4 2,-0.5 1,-0.3 -39,-0.2 0.695 101.8 42.7 -85.0 -22.7 20.9 46.0 78.4 128 149 A N > - 0 0 21 -44,-2.2 4,-2.4 1,-0.1 -1,-0.3 -0.884 67.5-179.9-127.4 95.0 21.9 49.7 78.0 129 150 A A H > S+ 0 0 45 -2,-0.5 4,-2.3 -3,-0.3 5,-0.1 0.782 82.1 57.5 -66.1 -30.1 22.3 51.3 81.4 130 151 A Q H > S+ 0 0 124 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.888 111.0 41.3 -68.4 -41.7 23.3 54.6 79.9 131 152 A A H > S+ 0 0 0 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.918 114.4 52.5 -72.0 -42.2 20.1 54.9 77.9 132 153 A A H < S+ 0 0 11 -4,-2.4 3,-0.5 1,-0.2 4,-0.4 0.921 112.3 46.0 -58.9 -44.1 18.0 53.6 80.8 133 154 A D H >< S+ 0 0 117 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.920 113.5 47.6 -65.4 -41.3 19.5 56.2 83.1 134 155 A M H >< S+ 0 0 49 -4,-1.9 3,-1.9 1,-0.2 7,-0.4 0.571 86.3 88.8 -79.0 -10.0 19.1 59.1 80.6 135 156 A W T 3< S+ 0 0 46 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.1 0.812 77.7 66.3 -57.7 -29.6 15.5 58.2 79.8 136 157 A S T < S+ 0 0 116 -3,-0.9 2,-0.6 -4,-0.4 -1,-0.3 0.648 98.3 55.0 -67.8 -17.1 14.4 60.4 82.7 137 158 A N <> - 0 0 81 -3,-1.9 4,-2.2 1,-0.1 -1,-0.2 -0.891 66.9-179.7-118.5 96.0 15.7 63.5 80.8 138 159 A Q H > S+ 0 0 74 -2,-0.6 4,-1.8 2,-0.2 -1,-0.1 0.723 79.8 55.3 -68.1 -23.7 13.9 63.4 77.4 139 160 A T H > S+ 0 0 107 2,-0.2 4,-1.4 3,-0.1 -1,-0.2 0.928 114.0 38.0 -75.2 -47.5 15.6 66.6 76.2 140 161 A E H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.861 115.5 55.7 -71.8 -34.3 19.1 65.3 76.8 141 162 A Y H X S+ 0 0 0 -4,-2.2 4,-3.1 -7,-0.4 5,-0.2 0.938 105.8 49.4 -62.6 -50.0 18.1 61.8 75.6 142 163 A K H X S+ 0 0 103 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.883 111.7 51.7 -57.6 -37.1 16.8 63.0 72.2 143 164 A K H X S+ 0 0 124 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.916 114.4 40.0 -65.0 -48.5 20.1 64.9 71.8 144 165 A V H X S+ 0 0 18 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.915 114.2 54.4 -67.0 -46.1 22.3 61.9 72.5 145 166 A L H X S+ 0 0 2 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.950 111.9 42.5 -53.1 -55.6 20.1 59.6 70.5 146 167 A H H X S+ 0 0 35 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.779 111.8 56.2 -66.5 -27.0 20.2 61.7 67.4 147 168 A E H X S+ 0 0 121 -4,-1.3 4,-2.5 -5,-0.2 -2,-0.2 0.983 112.0 40.4 -66.5 -58.0 23.9 62.3 67.7 148 169 A K H X S+ 0 0 97 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.889 113.4 55.5 -57.6 -42.6 24.8 58.7 67.8 149 170 A Y H X S+ 0 0 37 -4,-2.4 4,-1.1 -5,-0.3 -1,-0.2 0.901 113.0 41.1 -57.8 -45.5 22.3 57.8 65.1 150 171 A K H X S+ 0 0 140 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.843 115.5 51.2 -72.0 -34.7 23.8 60.4 62.7 151 172 A T H X S+ 0 0 61 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.838 104.1 56.5 -73.2 -32.5 27.3 59.4 63.7 152 173 A A H < S+ 0 0 43 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.878 108.0 49.5 -66.2 -36.7 26.7 55.7 63.1 153 174 A Q H < S+ 0 0 137 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.924 113.9 44.8 -66.7 -45.0 25.7 56.5 59.6 154 175 A S H < S+ 0 0 88 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.899 117.8 44.4 -67.6 -42.8 28.8 58.6 59.0 155 176 A D < 0 0 105 -4,-2.8 0, 0.0 -5,-0.1 0, 0.0 -0.356 360.0 360.0 -95.3 179.5 31.2 56.1 60.6 156 177 A K 0 0 262 -2,-0.1 -3,-0.1 0, 0.0 -4,-0.1 -0.857 360.0 360.0-130.3 360.0 31.5 52.3 60.2