==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-NOV-12 4I6L . COMPND 2 MOLECULE: UBIQUITIN THIOESTERASE OTUB1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.C.JUANG,F.SICHERI . 292 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 12.3 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 16 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 35.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 0 1 1 0 1 1 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 1 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 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 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 43 A G 0 0 116 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.4 -9.7 -30.3 2.9 2 44 A S + 0 0 133 1,-0.2 0, 0.0 0, 0.0 0, 0.0 0.670 360.0 40.5 -73.1 -17.4 -9.2 -26.6 2.9 3 45 A N S S+ 0 0 86 39,-0.1 -1,-0.2 3,-0.0 2,-0.1 -0.462 77.0 170.7-132.9 61.9 -6.5 -26.8 5.6 4 46 A P - 0 0 47 0, 0.0 3,-0.2 0, 0.0 115,-0.1 -0.394 41.1-124.6 -77.8 153.0 -4.2 -29.8 4.9 5 47 A L S S+ 0 0 1 1,-0.3 37,-1.9 114,-0.2 2,-0.4 0.923 102.9 14.7 -58.0 -48.7 -0.9 -30.4 6.8 6 48 A V E S-A 41 0A 1 35,-0.2 -1,-0.3 109,-0.2 35,-0.2 -0.994 83.8-151.0-130.2 127.3 1.0 -30.5 3.5 7 49 A S E - 0 0 20 33,-3.0 2,-0.1 -2,-0.4 3,-0.0 -0.063 29.0 -82.2 -83.7-174.4 -0.5 -29.2 0.3 8 50 A E E - 0 0 129 1,-0.1 32,-0.6 31,-0.1 2,-0.3 -0.455 55.0 -90.5 -78.6 161.0 0.0 -30.1 -3.4 9 51 A R E +A 39 0A 99 30,-0.2 30,-0.2 -2,-0.1 2,-0.2 -0.619 58.1 174.3 -72.1 132.4 2.9 -28.7 -5.3 10 52 A L E -A 38 0A 61 28,-3.3 28,-2.5 -2,-0.3 2,-0.3 -0.709 35.0-100.8-127.6 178.0 1.8 -25.4 -7.0 11 53 A E E > -A 37 0A 106 26,-0.3 3,-1.3 -2,-0.2 26,-0.2 -0.815 36.9-116.4 -98.2 151.0 3.2 -22.6 -9.0 12 54 A L G > S+ 0 0 1 24,-0.9 3,-2.0 -2,-0.3 4,-0.4 0.463 94.0 99.7 -70.3 0.3 3.9 -19.4 -7.0 13 55 A S G >> S+ 0 0 52 1,-0.3 4,-1.4 2,-0.2 3,-1.0 0.769 71.4 69.7 -54.7 -25.4 1.3 -17.5 -9.1 14 56 A V G <4 S+ 0 0 66 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.1 0.213 83.0 73.2 -79.9 15.4 -1.0 -18.1 -6.1 15 57 A L G X4 S+ 0 0 5 -3,-2.0 3,-0.5 3,-0.1 -1,-0.2 0.715 99.1 42.8 -95.0 -30.4 1.2 -15.6 -4.2 16 58 A Y G X4 S+ 0 0 51 -3,-1.0 3,-2.6 -4,-0.4 2,-2.0 0.944 111.2 56.5 -68.7 -51.9 -0.2 -12.6 -6.1 17 59 A K G 3< S+ 0 0 162 -4,-1.4 -1,-0.2 1,-0.3 -3,-0.1 -0.161 105.2 52.8 -79.0 44.5 -3.7 -14.1 -5.8 18 60 A E G < 0 0 88 -2,-2.0 -1,-0.3 -3,-0.5 -2,-0.2 0.224 360.0 360.0-148.8 -12.6 -3.4 -14.2 -2.0 19 61 A Y < 0 0 66 -3,-2.6 -1,-0.2 -4,-0.1 -4,-0.0 -0.941 360.0 360.0-117.8 360.0 -2.4 -10.5 -1.6 20 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 21 65 A D >> 0 0 124 0, 0.0 3,-2.9 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 21.0 -0.2 -4.4 -1.2 22 66 A N H 3> + 0 0 138 1,-0.3 4,-0.6 2,-0.2 3,-0.4 0.632 360.0 68.7 -49.1 -24.9 1.6 -3.6 -4.5 23 67 A I H 3> S+ 0 0 140 1,-0.2 4,-0.6 2,-0.2 3,-0.4 0.809 99.9 51.1 -66.1 -27.6 5.0 -3.4 -2.8 24 68 A Y H <> S+ 0 0 91 -3,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.745 95.5 72.5 -76.9 -23.8 4.8 -7.1 -2.2 25 69 A Q H X S+ 0 0 43 -4,-0.6 4,-0.7 -3,-0.4 3,-0.2 0.771 93.5 52.6 -66.5 -27.7 4.0 -7.8 -5.8 26 70 A Q H X S+ 0 0 93 -4,-0.6 4,-1.6 -3,-0.4 3,-0.5 0.881 99.7 60.2 -75.5 -39.8 7.5 -7.0 -7.1 27 71 A K H < S+ 0 0 78 -4,-0.6 4,-0.4 1,-0.3 -1,-0.2 0.679 97.7 58.8 -69.1 -18.6 9.4 -9.4 -4.8 28 72 A I H X S+ 0 0 0 -4,-0.7 4,-2.8 2,-0.2 3,-0.3 0.868 105.9 49.2 -73.0 -37.3 7.5 -12.5 -6.1 29 73 A K H X S+ 0 0 112 -4,-0.7 4,-0.6 -3,-0.5 -2,-0.2 0.865 108.8 53.0 -64.7 -35.4 8.9 -11.6 -9.5 30 74 A D H < S+ 0 0 62 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.700 115.8 40.8 -66.4 -21.0 12.2 -11.3 -7.7 31 75 A L H >> S+ 0 0 15 -4,-0.4 4,-2.1 -3,-0.3 3,-1.5 0.704 103.8 65.2 -98.7 -26.7 11.4 -14.8 -6.4 32 76 A H H 3< S+ 0 0 96 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.607 95.6 61.5 -72.7 -12.5 10.0 -16.2 -9.7 33 77 A K T 3< S+ 0 0 141 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.1 0.378 118.9 24.5 -94.3 2.0 13.5 -15.7 -11.2 34 78 A K T <4 S+ 0 0 92 -3,-1.5 2,-0.4 1,-0.3 -2,-0.2 0.419 124.5 46.8-137.6 -15.4 15.0 -18.2 -8.7 35 79 A Y < + 0 0 0 -4,-2.1 -1,-0.3 184,-0.2 184,-0.2 -0.998 47.6 179.5-136.7 137.2 12.1 -20.4 -7.8 36 80 A S + 0 0 46 182,-1.7 -24,-0.9 -2,-0.4 2,-0.3 0.779 66.0 33.7-103.7 -35.1 9.5 -22.0 -10.0 37 81 A Y E -AB 11 218A 100 181,-1.4 181,-2.0 -26,-0.2 2,-0.4 -0.845 56.5-152.8-132.1 161.1 7.2 -23.9 -7.5 38 82 A I E -AB 10 217A 7 -28,-2.5 -28,-3.3 -2,-0.3 2,-0.4 -0.989 2.5-168.1-134.1 136.3 5.6 -23.8 -4.0 39 83 A R E -AB 9 216A 9 177,-2.7 177,-2.8 -2,-0.4 2,-0.3 -0.994 20.3-144.7-122.8 135.4 4.4 -26.3 -1.5 40 84 A K E - 0 0 61 -32,-0.6 -33,-3.0 -2,-0.4 2,-0.3 -0.683 9.2-161.6-101.5 147.3 2.4 -25.2 1.5 41 85 A T E -A 6 0A 3 173,-0.4 -35,-0.2 -2,-0.3 -36,-0.2 -0.867 38.4 -91.1-116.7 158.1 2.3 -26.4 5.1 42 86 A R - 0 0 59 -37,-1.9 2,-2.0 -2,-0.3 4,-0.4 -0.525 36.9-123.5 -68.9 125.8 -0.5 -25.8 7.6 43 87 A P S S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 170,-0.1 -0.491 70.0 124.5 -70.5 82.8 0.2 -22.6 9.7 44 88 A D S S- 0 0 41 -2,-2.0 169,-0.1 -39,-0.1 -2,-0.1 0.252 90.0 -91.8-126.5 8.7 0.1 -24.4 13.1 45 89 A G S S+ 0 0 10 167,-0.3 168,-0.1 -3,-0.2 3,-0.1 0.480 118.6 81.4 88.6 3.8 3.5 -23.5 14.6 46 90 A N > + 0 0 4 -4,-0.4 4,-2.0 122,-0.1 5,-0.2 0.171 55.0 114.1-118.9 13.4 4.9 -26.7 13.2 47 91 A S H > S+ 0 0 0 1,-0.2 4,-2.2 165,-0.2 5,-0.2 0.857 71.1 51.1 -58.5 -45.1 5.5 -25.3 9.7 48 92 A F H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.926 113.2 43.3 -61.7 -48.5 9.3 -25.4 9.6 49 93 A Y H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.866 116.5 46.9 -67.5 -38.0 9.7 -29.0 10.7 50 94 A R H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.837 114.8 47.5 -73.4 -32.7 6.9 -30.3 8.4 51 95 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.917 115.2 44.6 -72.9 -45.7 8.3 -28.3 5.5 52 96 A F H X S+ 0 0 2 -4,-2.7 4,-2.4 -5,-0.2 5,-0.3 0.936 111.2 54.5 -60.8 -49.9 11.8 -29.5 6.0 53 97 A G H X S+ 0 0 5 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.882 113.9 39.5 -54.4 -45.2 10.8 -33.1 6.6 54 98 A F H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 5,-0.2 0.929 113.5 53.8 -72.5 -45.6 8.9 -33.3 3.3 55 99 A S H X S+ 0 0 12 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.881 114.6 40.0 -58.0 -43.4 11.4 -31.4 1.2 56 100 A H H X S+ 0 0 5 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.946 116.0 48.1 -73.4 -49.9 14.3 -33.5 2.2 57 101 A L H < S+ 0 0 2 -4,-1.7 4,-0.3 -5,-0.3 -2,-0.2 0.850 112.3 51.3 -58.7 -36.5 12.6 -36.9 2.1 58 102 A E H >< S+ 0 0 25 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.859 110.1 49.4 -67.3 -36.9 11.1 -36.0 -1.3 59 103 A A H >< S+ 0 0 50 -4,-1.3 3,-1.8 -5,-0.2 -2,-0.2 0.814 98.6 67.1 -72.3 -30.9 14.6 -35.1 -2.6 60 104 A L G >< S+ 0 0 4 -4,-1.9 3,-0.8 1,-0.3 -1,-0.2 0.585 81.3 77.3 -71.3 -9.2 16.1 -38.4 -1.3 61 105 A L G < S+ 0 0 15 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.765 100.2 43.1 -64.6 -25.0 14.0 -40.3 -3.9 62 106 A D G < S+ 0 0 151 -3,-1.8 2,-0.2 1,-0.2 -1,-0.2 0.276 112.4 54.4-106.8 8.6 16.6 -39.1 -6.4 63 107 A D <> + 0 0 74 -3,-0.8 4,-1.7 1,-0.1 -1,-0.2 -0.725 53.2 176.2-145.8 92.6 19.8 -39.7 -4.4 64 108 A S H > S+ 0 0 74 -2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.875 84.2 51.1 -62.5 -40.5 20.2 -43.2 -3.0 65 109 A K H > S+ 0 0 165 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.807 110.2 48.0 -72.6 -31.6 23.6 -42.5 -1.5 66 110 A E H > S+ 0 0 34 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.811 109.6 55.4 -75.4 -31.8 22.5 -39.3 0.4 67 111 A L H X S+ 0 0 2 -4,-1.7 4,-3.0 -7,-0.2 -2,-0.2 0.897 102.4 56.7 -63.4 -42.0 19.5 -41.4 1.6 68 112 A Q H X S+ 0 0 88 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.864 110.3 42.0 -62.2 -39.4 21.8 -44.0 3.1 69 113 A R H X S+ 0 0 79 -4,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.831 114.1 51.6 -79.2 -31.1 23.7 -41.5 5.3 70 114 A F H X S+ 0 0 3 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.902 112.7 47.6 -64.8 -41.0 20.5 -39.7 6.3 71 115 A K H X S+ 0 0 70 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.875 112.2 49.3 -64.8 -39.2 19.2 -43.1 7.2 72 116 A A H X S+ 0 0 61 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.896 113.3 45.5 -69.1 -41.5 22.4 -43.9 9.1 73 117 A V H X S+ 0 0 37 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.910 114.7 48.4 -66.1 -42.7 22.3 -40.6 11.0 74 118 A S H < S+ 0 0 0 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.820 109.3 52.5 -69.3 -33.2 18.6 -41.0 11.8 75 119 A A H >< S+ 0 0 52 -4,-1.9 3,-0.6 1,-0.2 4,-0.4 0.899 112.7 43.8 -69.9 -41.6 18.9 -44.6 13.0 76 120 A K H 3X S+ 0 0 144 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.743 96.5 80.9 -72.4 -23.8 21.7 -43.7 15.5 77 121 A S H 3X S+ 0 0 9 -4,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.751 83.1 59.9 -60.7 -28.7 19.9 -40.6 16.6 78 122 A K H <> S+ 0 0 53 -3,-0.6 4,-2.0 -4,-0.5 3,-0.4 0.979 110.5 37.6 -64.3 -58.4 17.5 -42.5 19.0 79 123 A E H > S+ 0 0 108 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.786 113.8 61.7 -62.5 -26.5 20.2 -44.0 21.3 80 124 A D H X S+ 0 0 50 -4,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.884 106.0 43.3 -66.7 -41.6 22.0 -40.7 20.8 81 125 A L H ><>S+ 0 0 2 -4,-2.0 5,-2.1 -3,-0.4 3,-0.5 0.873 112.4 55.2 -68.7 -38.5 19.1 -38.8 22.4 82 126 A V H ><5S+ 0 0 32 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.901 102.1 55.1 -62.2 -43.8 18.9 -41.4 25.1 83 127 A S H 3<5S+ 0 0 92 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.749 106.2 53.8 -64.4 -23.8 22.5 -41.1 26.2 84 128 A Q T <<5S- 0 0 50 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.029 135.9 -72.9-104.0 27.2 22.1 -37.4 26.7 85 129 A G T < 5S+ 0 0 61 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.212 89.4 127.3 114.1 -15.0 19.1 -37.6 29.1 86 130 A F < - 0 0 28 -5,-2.1 2,-0.6 -6,-0.1 -1,-0.3 -0.441 60.9-116.9 -78.3 149.4 16.1 -38.6 27.0 87 131 A T >> - 0 0 83 1,-0.2 4,-1.6 -2,-0.1 3,-0.9 -0.774 15.2-151.3 -87.4 117.7 13.9 -41.5 27.8 88 132 A E H 3> S+ 0 0 71 -2,-0.6 4,-1.5 1,-0.3 -1,-0.2 0.878 97.0 53.0 -53.5 -41.8 14.1 -44.2 25.1 89 133 A F H 34 S+ 0 0 159 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.770 107.6 51.9 -68.1 -26.2 10.5 -45.4 25.9 90 134 A T H <4 S+ 0 0 93 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.837 120.6 31.2 -78.4 -33.6 9.2 -41.8 25.6 91 135 A I H X S+ 0 0 4 -4,-1.6 4,-2.2 -3,-0.2 5,-0.2 0.478 92.3 101.2-104.1 -5.9 10.7 -41.2 22.1 92 136 A E H X S+ 0 0 64 -4,-1.5 4,-1.9 1,-0.2 5,-0.1 0.890 84.4 39.5 -46.7 -60.6 10.6 -44.7 20.8 93 137 A D H > S+ 0 0 97 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.790 112.7 56.3 -69.7 -29.5 7.5 -44.6 18.5 94 138 A F H > S+ 0 0 46 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.931 110.0 45.6 -65.0 -45.8 8.3 -41.1 17.2 95 139 A H H X S+ 0 0 11 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.865 110.8 53.9 -64.1 -38.0 11.7 -42.3 16.0 96 140 A N H X S+ 0 0 103 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.863 106.8 49.9 -68.5 -37.3 10.2 -45.4 14.5 97 141 A T H X S+ 0 0 25 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.882 111.0 52.1 -65.0 -38.5 7.7 -43.4 12.5 98 142 A F H X S+ 0 0 3 -4,-1.7 4,-1.5 1,-0.2 3,-0.3 0.941 111.2 44.5 -61.5 -50.2 10.6 -41.3 11.3 99 143 A M H X S+ 0 0 31 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.799 108.0 61.4 -64.6 -28.7 12.6 -44.3 10.2 100 144 A D H X S+ 0 0 66 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.870 102.6 49.0 -66.7 -38.5 9.5 -45.7 8.6 101 145 A L H X S+ 0 0 2 -4,-1.6 4,-1.9 -3,-0.3 -1,-0.2 0.871 109.0 53.6 -68.1 -37.8 9.2 -42.7 6.2 102 146 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.890 107.1 51.6 -62.7 -40.1 12.9 -43.1 5.3 103 147 A E H X S+ 0 0 82 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.867 106.3 54.2 -65.6 -37.7 12.3 -46.8 4.4 104 148 A Q H <>S+ 0 0 52 -4,-1.6 5,-1.9 2,-0.2 -1,-0.2 0.910 110.5 46.2 -61.2 -43.3 9.4 -45.8 2.2 105 149 A V H ><5S+ 0 0 0 -4,-1.9 3,-1.7 3,-0.2 -2,-0.2 0.881 108.9 56.1 -65.1 -38.9 11.7 -43.4 0.3 106 150 A E H 3<5S+ 0 0 56 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.845 106.4 49.8 -62.3 -34.5 14.3 -46.1 0.2 107 151 A K T 3<5S- 0 0 153 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.119 123.1-108.1 -92.8 20.3 11.8 -48.4 -1.6 108 152 A Q T < 5 - 0 0 104 -3,-1.7 -3,-0.2 1,-0.1 -2,-0.1 0.901 44.7-167.4 56.8 51.8 11.0 -45.6 -4.0 109 153 A T < - 0 0 27 -5,-1.9 -1,-0.1 1,-0.1 2,-0.0 -0.321 29.8 -99.7 -60.5 149.2 7.5 -44.7 -2.8 110 154 A S > - 0 0 56 1,-0.1 4,-1.8 4,-0.0 5,-0.1 -0.329 24.9-119.4 -66.6 156.8 5.6 -42.4 -5.2 111 155 A V H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.839 115.7 57.1 -66.1 -31.7 5.6 -38.7 -4.4 112 156 A A H > S+ 0 0 70 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.905 107.5 45.7 -64.5 -43.6 1.8 -39.0 -4.1 113 157 A D H > S+ 0 0 98 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.840 110.3 54.4 -69.5 -33.7 2.0 -41.7 -1.4 114 158 A L H X S+ 0 0 0 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.883 107.6 50.7 -65.5 -38.6 4.7 -39.7 0.4 115 159 A L H < S+ 0 0 15 -4,-1.9 4,-0.4 1,-0.2 -2,-0.2 0.858 106.2 55.4 -66.2 -36.8 2.3 -36.7 0.5 116 160 A A H >< S+ 0 0 61 -4,-1.5 3,-0.8 1,-0.2 4,-0.4 0.881 105.7 51.0 -64.6 -39.6 -0.5 -38.9 1.9 117 161 A S H >< S+ 0 0 26 -4,-1.6 3,-0.7 1,-0.3 7,-0.3 0.840 107.8 53.2 -66.2 -33.9 1.7 -40.0 4.8 118 162 A F T 3< S+ 0 0 0 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.547 107.5 53.0 -77.8 -8.2 2.5 -36.3 5.5 119 163 A N T < S+ 0 0 57 -3,-0.8 2,-0.7 -4,-0.4 -1,-0.2 0.406 82.5 98.9-106.3 -1.6 -1.3 -35.6 5.6 120 164 A D S <> S- 0 0 77 -3,-0.7 4,-3.5 -4,-0.4 5,-0.4 -0.812 71.5-144.8 -83.2 115.9 -2.0 -38.4 8.1 121 165 A Q H > S+ 0 0 90 -2,-0.7 4,-2.1 1,-0.2 5,-0.3 0.880 95.0 43.9 -49.9 -51.6 -2.3 -36.4 11.4 122 166 A S H > S+ 0 0 68 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.926 119.9 41.0 -62.5 -47.4 -0.7 -39.1 13.6 123 167 A T H > S+ 0 0 34 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.924 117.3 46.6 -68.4 -45.8 2.1 -40.0 11.2 124 168 A S H X S+ 0 0 1 -4,-3.5 4,-1.6 -7,-0.3 -2,-0.2 0.845 116.2 44.1 -68.6 -35.6 2.9 -36.4 10.2 125 169 A D H X S+ 0 0 32 -4,-2.1 4,-2.6 -5,-0.4 -1,-0.2 0.823 107.0 58.6 -80.6 -33.2 2.9 -35.0 13.7 126 170 A Y H X S+ 0 0 78 -4,-1.8 4,-1.7 -5,-0.3 -2,-0.2 0.868 107.2 51.6 -57.8 -36.9 4.9 -38.0 15.1 127 171 A L H X S+ 0 0 1 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.958 109.2 46.6 -63.3 -54.1 7.5 -36.9 12.5 128 172 A V H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.880 108.5 57.6 -57.7 -41.3 7.5 -33.2 13.7 129 173 A V H X S+ 0 0 28 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.928 109.8 43.6 -54.0 -47.7 7.8 -34.4 17.3 130 174 A Y H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.854 110.2 54.3 -72.1 -34.8 10.9 -36.3 16.6 131 175 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.862 109.1 50.4 -63.5 -35.4 12.5 -33.5 14.5 132 176 A R H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.843 109.2 51.0 -68.5 -35.3 11.9 -31.2 17.5 133 177 A L H X S+ 0 0 16 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.859 109.6 50.0 -70.6 -36.6 13.6 -33.8 19.7 134 178 A L H X S+ 0 0 12 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.935 112.8 47.2 -62.6 -48.0 16.6 -33.9 17.4 135 179 A T H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.927 115.5 44.7 -59.1 -48.5 16.7 -30.1 17.4 136 180 A S H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.880 110.9 54.6 -64.7 -40.1 16.5 -30.0 21.2 137 181 A G H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.900 110.7 45.1 -60.6 -43.1 19.0 -32.8 21.6 138 182 A Y H X S+ 0 0 31 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.901 111.5 52.8 -67.4 -42.8 21.6 -30.9 19.5 139 183 A L H < S+ 0 0 0 -4,-2.2 7,-0.3 1,-0.2 -2,-0.2 0.926 113.2 42.3 -60.2 -48.8 20.9 -27.6 21.3 140 184 A Q H >< S+ 0 0 32 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.853 113.5 53.9 -65.9 -36.2 21.4 -29.1 24.8 141 185 A R H 3< S+ 0 0 122 -4,-1.7 3,-0.3 1,-0.3 -2,-0.2 0.894 117.2 36.6 -65.0 -40.9 24.4 -31.1 23.5 142 186 A E T >X S+ 0 0 74 -4,-2.6 4,-2.0 1,-0.2 3,-0.8 -0.240 78.9 139.3-102.8 43.2 26.0 -27.9 22.2 143 187 A S H <> + 0 0 36 -3,-1.2 4,-1.6 1,-0.3 -1,-0.2 0.792 64.2 61.0 -60.5 -31.7 24.7 -25.8 25.1 144 188 A K H 34 S+ 0 0 147 -3,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.877 109.6 41.7 -63.6 -38.8 28.0 -23.9 25.4 145 189 A F H X4 S+ 0 0 62 -3,-0.8 3,-1.1 1,-0.2 4,-0.3 0.962 118.4 42.5 -70.3 -54.2 27.6 -22.5 21.8 146 190 A F H >X S+ 0 0 2 -4,-2.0 3,-0.8 -7,-0.3 4,-0.5 0.605 96.7 76.0 -76.5 -13.2 23.9 -21.7 21.9 147 191 A E G >< S+ 0 0 32 -4,-1.6 3,-0.8 -5,-0.2 -1,-0.3 0.841 88.4 61.9 -61.8 -33.3 24.0 -20.2 25.4 148 192 A H G <4 S+ 0 0 65 -3,-1.1 121,-0.3 -4,-0.4 -1,-0.2 0.771 106.5 44.6 -63.7 -26.2 25.5 -17.1 23.9 149 193 A F G <4 S+ 0 0 12 -3,-0.8 2,-0.5 -4,-0.3 -1,-0.2 0.487 102.0 76.1 -99.5 -5.4 22.4 -16.6 21.8 150 194 A I S << S- 0 0 7 -3,-0.8 3,-0.1 -4,-0.5 4,-0.1 -0.935 85.1-117.9-111.7 126.9 19.9 -17.2 24.6 151 195 A E > - 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