==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 18-MAY-11 3S3J . COMPND 2 MOLECULE: PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANSFERASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.LINDEMANN,A.HEINE,G.KLEBE . 653 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30564.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 433 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 179 27.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 61 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.4 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 2 1 1 3 2 1 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 1 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 . 2 2 1 1 6 3 3 2 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 1 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 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 2 A A 0 0 103 0, 0.0 3,-0.1 0, 0.0 121,-0.0 0.000 360.0 360.0 360.0 100.4 -1.7 -16.5 -93.4 2 3 A E - 0 0 159 1,-0.1 2,-0.2 3,-0.0 3,-0.1 -0.152 360.0-106.3 -49.6 140.6 -0.4 -13.1 -92.1 3 4 A E - 0 0 51 1,-0.1 -1,-0.1 123,-0.0 44,-0.1 -0.543 42.3-100.0 -72.4 134.5 1.0 -13.3 -88.5 4 5 A L - 0 0 13 -2,-0.2 2,-0.7 -3,-0.1 -1,-0.1 -0.246 32.1-145.9 -52.3 136.7 -1.3 -11.7 -86.0 5 6 A V E -A 45 0A 77 40,-0.7 40,-3.3 42,-0.4 2,-0.6 -0.918 6.4-148.8-109.5 108.3 -0.2 -8.2 -85.1 6 7 A L E +A 44 0A 28 -2,-0.7 38,-0.2 38,-0.2 3,-0.1 -0.658 17.9 178.3 -75.6 119.1 -0.9 -7.3 -81.4 7 8 A E E - 0 0 106 36,-2.9 2,-0.3 -2,-0.6 37,-0.2 0.943 60.1 -22.9 -84.0 -59.1 -1.6 -3.6 -81.2 8 9 A R E -A 43 0A 111 35,-1.4 35,-2.8 2,-0.0 2,-0.6 -0.998 48.1-132.4-153.8 156.9 -2.4 -3.3 -77.5 9 10 A C E -A 42 0A 28 -2,-0.3 2,-0.5 122,-0.2 33,-0.2 -0.949 19.5-153.2-111.5 117.5 -3.5 -5.1 -74.4 10 11 A D E -A 41 0A 48 31,-2.9 31,-2.0 -2,-0.6 -2,-0.0 -0.805 2.4-159.3 -90.4 125.7 -6.3 -3.5 -72.3 11 12 A L - 0 0 36 -2,-0.5 28,-0.2 29,-0.2 5,-0.1 0.449 26.9-133.3 -84.5 -0.1 -6.2 -4.5 -68.6 12 13 A E > + 0 0 48 29,-0.1 4,-2.8 1,-0.1 5,-0.3 0.915 35.6 174.8 46.7 50.9 -9.8 -3.5 -68.0 13 14 A L H > S+ 0 0 42 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.901 72.4 49.5 -50.0 -46.7 -8.7 -1.7 -64.8 14 15 A E H > S+ 0 0 137 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.948 116.0 37.0 -63.4 -55.8 -12.2 -0.4 -64.2 15 16 A T H > S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.875 120.3 50.3 -69.8 -33.2 -14.3 -3.6 -64.6 16 17 A N H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.964 110.6 46.2 -67.9 -51.1 -11.6 -5.7 -62.9 17 18 A G H X>S+ 0 0 0 -4,-2.8 5,-2.4 -5,-0.3 4,-1.0 0.944 113.5 49.7 -56.4 -51.7 -11.1 -3.5 -59.8 18 19 A R H ><5S+ 0 0 144 -4,-1.9 3,-0.5 -5,-0.3 -1,-0.2 0.919 115.8 43.1 -48.3 -50.9 -14.9 -3.2 -59.3 19 20 A D H 3<5S+ 0 0 74 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.783 119.3 41.6 -73.8 -30.0 -15.3 -6.9 -59.6 20 21 A H H 3<5S- 0 0 0 -4,-2.5 -1,-0.2 11,-0.1 -2,-0.2 0.381 108.0-118.6 -98.2 1.5 -12.3 -7.9 -57.4 21 22 A H T <<5S+ 0 0 55 -4,-1.0 -3,-0.2 -3,-0.5 -4,-0.1 0.946 88.8 108.3 57.2 48.2 -12.9 -5.2 -54.8 22 23 A T >>< + 0 0 3 -5,-2.4 4,-1.3 -6,-0.2 3,-0.8 -0.006 28.5 126.6-137.7 21.3 -9.5 -3.7 -55.7 23 24 A A G >4 S+ 0 0 63 -6,-0.8 3,-0.8 1,-0.3 -5,-0.1 0.907 74.8 49.8 -51.8 -50.0 -10.7 -0.5 -57.4 24 25 A D G 34 S+ 0 0 120 1,-0.2 -1,-0.3 -7,-0.1 -2,-0.0 0.779 111.7 50.3 -59.5 -29.4 -8.7 1.8 -55.2 25 26 A L G <4 S+ 0 0 20 -3,-0.8 2,-2.2 1,-0.2 4,-0.3 0.643 86.4 87.3 -85.5 -18.7 -5.6 -0.3 -55.9 26 27 A C << + 0 0 15 -4,-1.3 -1,-0.2 -3,-0.8 4,-0.1 -0.434 50.6 147.0 -80.9 67.3 -6.1 -0.3 -59.6 27 28 A R S S- 0 0 51 -2,-2.2 -1,-0.2 2,-0.2 -2,-0.1 0.995 88.4 -45.7 -60.9 -81.4 -4.1 2.9 -60.1 28 29 A E S S+ 0 0 168 -3,-0.2 2,-0.4 -15,-0.0 -2,-0.1 0.239 130.3 77.2-132.1 -1.9 -2.5 2.3 -63.4 29 30 A K S S- 0 0 52 -4,-0.3 2,-0.4 103,-0.0 -2,-0.2 -0.895 87.0-113.8-106.7 143.5 -1.4 -1.3 -62.6 30 31 A L E -e 134 0B 4 103,-0.8 105,-2.5 -2,-0.4 2,-0.4 -0.603 32.4-176.2 -76.6 127.9 -3.9 -4.2 -62.5 31 32 A V E +e 135 0B 3 -2,-0.4 2,-0.3 103,-0.2 105,-0.2 -0.991 10.6 166.6-124.0 131.3 -4.5 -5.8 -59.1 32 33 A V E -e 136 0B 0 103,-3.3 105,-2.5 -2,-0.4 2,-0.3 -0.856 32.1-112.6-138.8 171.7 -6.8 -8.8 -58.7 33 34 A R E > -e 137 0B 0 -2,-0.3 3,-0.8 103,-0.2 72,-0.2 -0.854 37.9-106.8-112.1 149.3 -7.8 -11.5 -56.3 34 35 A R T 3 S+ 0 0 2 103,-2.4 73,-0.2 -2,-0.3 111,-0.1 -0.236 93.5 25.1 -76.9 154.9 -7.0 -15.2 -56.7 35 36 A G T 3 S+ 0 0 22 71,-0.6 -1,-0.2 1,-0.2 72,-0.2 0.555 101.0 100.0 76.7 7.8 -9.3 -18.0 -57.7 36 37 A Q S < S- 0 0 30 -3,-0.8 69,-0.2 70,-0.2 -1,-0.2 -0.983 78.3-107.8-128.9 134.8 -11.7 -15.6 -59.4 37 38 A P - 0 0 45 0, 0.0 2,-0.3 0, 0.0 67,-0.2 -0.235 36.3-172.7 -60.2 146.1 -11.9 -14.8 -63.2 38 39 A F E - B 0 103A 1 65,-2.9 65,-3.3 -6,-0.1 2,-0.3 -0.926 12.4-122.1-139.0 170.3 -10.5 -11.6 -64.6 39 40 A W E + B 0 102A 60 -2,-0.3 2,-0.3 63,-0.2 63,-0.2 -0.785 25.4 162.5-123.4 151.2 -10.6 -9.8 -67.9 40 41 A L E - B 0 101A 1 61,-1.5 61,-3.2 -2,-0.3 2,-0.5 -0.975 20.9-143.0-159.5 156.6 -8.4 -8.4 -70.6 41 42 A T E -AB 10 100A 11 -31,-2.0 -31,-2.9 -2,-0.3 2,-0.5 -0.977 5.8-150.5-133.3 122.5 -8.8 -7.4 -74.3 42 43 A L E -AB 9 99A 0 57,-2.8 57,-2.1 -2,-0.5 2,-0.6 -0.790 8.1-156.2 -91.4 130.3 -6.4 -7.7 -77.1 43 44 A H E -AB 8 98A 38 -35,-2.8 -36,-2.9 -2,-0.5 -35,-1.4 -0.941 16.0-156.3-104.5 121.0 -6.6 -5.2 -79.9 44 45 A F E -A 6 0A 11 53,-2.6 2,-0.6 -2,-0.6 -38,-0.2 -0.697 15.8-133.0 -99.8 148.8 -5.1 -6.5 -83.2 45 46 A E E S-A 5 0A 112 -40,-3.3 -40,-0.7 -2,-0.3 2,-0.4 -0.894 82.1 -18.4 -92.9 116.9 -3.7 -4.7 -86.2 46 47 A G S S+ 0 0 56 -2,-0.6 -2,-0.1 -42,-0.1 -42,-0.1 -0.697 122.8 27.0 89.0-136.7 -5.3 -6.3 -89.3 47 48 A R S S- 0 0 58 -2,-0.4 -42,-0.4 -44,-0.1 2,-0.1 -0.206 77.4-123.4 -65.8 152.9 -6.9 -9.7 -89.1 48 49 A N - 0 0 17 48,-0.2 -1,-0.1 1,-0.2 49,-0.1 -0.389 43.8 -67.9 -88.2 167.9 -8.4 -11.0 -85.8 49 50 A Y - 0 0 21 -2,-0.1 2,-0.6 1,-0.1 -1,-0.2 -0.336 45.0-162.3 -52.3 129.2 -7.6 -14.2 -83.9 50 51 A E >> - 0 0 98 1,-0.1 4,-3.3 -3,-0.1 3,-1.8 -0.950 8.2-156.9-120.1 108.4 -8.7 -17.2 -85.8 51 52 A A T 34 S+ 0 0 70 -2,-0.6 -1,-0.1 1,-0.3 5,-0.1 0.817 90.3 63.1 -53.7 -33.4 -8.8 -20.2 -83.5 52 53 A S T 34 S+ 0 0 121 1,-0.2 -1,-0.3 -3,-0.1 3,-0.0 0.742 122.1 16.8 -67.2 -25.4 -8.5 -22.6 -86.5 53 54 A V T <4 S+ 0 0 41 -3,-1.8 70,-0.8 69,-0.0 2,-0.2 0.719 112.3 76.0-116.1 -36.9 -5.0 -21.2 -87.4 54 55 A D E < -F 122 0B 4 -4,-3.3 2,-0.5 68,-0.2 68,-0.2 -0.552 52.1-165.4 -86.0 141.3 -3.7 -19.3 -84.3 55 56 A S E -F 121 0B 66 66,-2.2 66,-2.7 -2,-0.2 2,-0.5 -0.988 9.1-170.8-120.4 119.3 -2.3 -20.8 -81.2 56 57 A L E -F 120 0B 4 -2,-0.5 22,-2.7 22,-0.4 2,-0.4 -0.948 2.6-174.6-111.3 128.8 -2.0 -18.5 -78.2 57 58 A T E -FG 119 77B 36 62,-3.0 62,-3.5 -2,-0.5 2,-0.3 -0.971 12.3-145.2-121.2 135.8 -0.2 -19.5 -75.1 58 59 A F E -FG 118 76B 0 18,-3.2 18,-2.0 -2,-0.4 2,-0.4 -0.766 9.5-165.3 -99.5 146.4 0.1 -17.5 -71.9 59 60 A S E -FG 117 75B 28 58,-2.6 58,-3.1 -2,-0.3 2,-0.4 -0.995 5.3-176.4-126.1 129.4 3.0 -17.4 -69.5 60 61 A V E +FG 116 74B 0 14,-2.9 14,-2.2 -2,-0.4 2,-0.4 -0.969 3.5 176.6-121.0 141.7 3.0 -16.0 -65.9 61 62 A V E -FG 115 73B 21 54,-1.4 54,-2.1 -2,-0.4 2,-0.4 -0.999 7.2-169.3-138.1 142.1 6.0 -15.7 -63.5 62 63 A T E +F 114 0B 11 10,-2.7 3,-0.3 -2,-0.4 52,-0.2 -0.993 49.3 3.4-129.9 140.1 6.4 -14.2 -60.0 63 64 A G S S- 0 0 36 50,-0.5 144,-0.1 -2,-0.4 49,-0.0 0.004 93.2 -60.9 83.8 171.8 9.5 -13.5 -58.0 64 65 A P S S+ 0 0 86 0, 0.0 -1,-0.2 0, 0.0 143,-0.1 0.530 128.9 28.8 -71.2 -11.1 13.3 -13.7 -58.6 65 66 A A S S- 0 0 56 -3,-0.3 7,-0.1 141,-0.1 -2,-0.1 -0.322 79.9-173.5-150.3 62.7 13.3 -17.5 -59.2 66 67 A P + 0 0 48 0, 0.0 2,-0.3 0, 0.0 7,-0.1 -0.190 7.7 169.3 -63.3 144.3 10.0 -18.7 -60.7 67 68 A S >> - 0 0 49 -5,-0.2 5,-1.8 140,-0.1 6,-0.8 -0.963 37.9-135.6-154.5 148.9 9.3 -22.4 -61.2 68 69 A Q T >45S+ 0 0 89 -2,-0.3 3,-0.7 1,-0.3 -1,-0.1 0.852 106.2 59.1 -69.6 -33.3 6.2 -24.4 -62.1 69 70 A E T 345S+ 0 0 104 1,-0.3 -1,-0.3 2,-0.1 0, 0.0 0.865 111.2 41.8 -62.2 -37.0 6.9 -27.1 -59.5 70 71 A A T 345S- 0 0 34 -3,-0.3 -1,-0.3 3,-0.0 -2,-0.2 0.470 114.6-119.3 -90.6 -4.3 6.8 -24.3 -56.8 71 72 A G T <<5S+ 0 0 28 -3,-0.7 -3,-0.2 -4,-0.6 -2,-0.1 0.553 86.7 109.7 81.6 8.8 3.7 -22.7 -58.5 72 73 A T S - 0 0 125 -2,-0.6 3,-1.7 4,-0.1 -2,-0.0 -0.702 23.7-129.1 -80.4 108.8 -10.3 -26.7 -66.0 84 85 A E T 3 S+ 0 0 174 -2,-0.8 3,-0.1 1,-0.2 -1,-0.0 -0.312 89.7 24.8 -59.2 136.3 -11.5 -25.4 -62.6 85 86 A G T 3 S+ 0 0 48 1,-0.3 -1,-0.2 20,-0.2 23,-0.2 0.308 107.3 93.5 91.6 -8.0 -8.8 -24.7 -60.1 86 87 A D S < S- 0 0 87 -3,-1.7 2,-0.5 20,-0.1 -1,-0.3 -0.570 88.4 -88.8-106.1 171.0 -6.1 -24.2 -62.7 87 88 A W + 0 0 36 -2,-0.2 2,-0.3 18,-0.1 18,-0.2 -0.717 63.2 160.9 -70.3 126.7 -4.5 -21.3 -64.5 88 89 A T E - D 0 104A 15 16,-1.8 16,-2.0 -2,-0.5 2,-0.3 -0.985 32.0-160.5-148.1 158.8 -6.7 -20.8 -67.7 89 90 A A E +cD 78 103A 1 -12,-0.8 -10,-2.3 -2,-0.3 2,-0.3 -0.989 17.7 170.3-137.2 140.4 -7.6 -18.4 -70.4 90 91 A T E - D 0 102A 17 12,-1.7 12,-2.4 -2,-0.3 2,-0.2 -0.985 35.2-106.0-145.8 152.6 -10.7 -18.6 -72.6 91 92 A V E + D 0 101A 35 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.590 35.9 164.2 -78.8 139.4 -12.4 -16.4 -75.2 92 93 A V E + 0 0 79 8,-2.5 2,-0.3 1,-0.4 9,-0.2 0.463 67.3 20.4-128.2 -14.8 -15.7 -14.6 -74.1 93 94 A D E - D 0 100A 69 7,-1.4 7,-2.8 2,-0.0 -1,-0.4 -0.961 55.3-177.0-155.6 139.3 -16.1 -11.9 -76.7 94 95 A Q E + D 0 99A 99 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.907 13.9 166.2-144.2 113.9 -14.8 -11.3 -80.2 95 96 A Q - 0 0 110 3,-1.7 -47,-0.0 -2,-0.4 -2,-0.0 -0.144 57.7 -55.3-106.1-158.6 -15.5 -8.2 -82.3 96 97 A D S S- 0 0 87 1,-0.2 -48,-0.2 -2,-0.1 3,-0.0 0.934 128.2 -13.6 -49.6 -60.5 -14.1 -6.7 -85.4 97 98 A C S S+ 0 0 56 -49,-0.1 -53,-2.6 -50,-0.1 2,-0.4 0.132 118.0 94.1-132.4 17.0 -10.5 -6.5 -84.2 98 99 A T E -B 43 0A 36 -55,-0.2 -3,-1.7 -50,-0.0 2,-0.4 -0.883 47.7-167.0-115.4 147.0 -10.9 -7.1 -80.5 99 100 A L E -BD 42 94A 0 -57,-2.1 -57,-2.8 -2,-0.4 2,-0.5 -0.945 9.7-158.8-132.9 111.0 -10.6 -10.4 -78.6 100 101 A S E -BD 41 93A 21 -7,-2.8 -8,-2.5 -2,-0.4 -7,-1.4 -0.796 14.2-169.8 -93.1 127.1 -11.8 -10.3 -74.9 101 102 A L E -BD 40 91A 0 -61,-3.2 -61,-1.5 -2,-0.5 2,-0.5 -0.758 17.1-145.1-114.0 159.0 -10.4 -13.1 -72.7 102 103 A Q E -BD 39 90A 57 -12,-2.4 -12,-1.7 -2,-0.3 2,-0.4 -0.996 18.7-167.9-122.3 124.6 -11.2 -14.3 -69.3 103 104 A L E -BD 38 89A 3 -65,-3.3 -65,-2.9 -2,-0.5 2,-0.3 -0.888 1.8-168.0-110.6 145.6 -8.3 -15.6 -67.1 104 105 A T E - D 0 88A 30 -16,-2.0 -16,-1.8 -2,-0.4 -70,-0.1 -0.983 4.4-157.1-131.4 151.1 -8.5 -17.5 -63.9 105 106 A T - 0 0 3 -2,-0.3 -20,-0.2 -69,-0.2 -70,-0.2 -0.822 35.0 -90.8-117.6 155.0 -5.9 -18.3 -61.2 106 107 A P > - 0 0 15 0, 0.0 3,-1.1 0, 0.0 -71,-0.6 -0.350 31.8-125.9 -61.1 152.6 -5.9 -21.1 -58.7 107 108 A A T 3 S+ 0 0 16 1,-0.2 39,-0.4 -72,-0.2 32,-0.2 0.500 112.1 46.8 -76.7 -7.8 -7.4 -20.1 -55.3 108 109 A N T 3 S+ 0 0 117 -23,-0.2 -1,-0.2 37,-0.1 3,-0.1 -0.029 84.0 135.5-121.1 24.7 -4.2 -21.2 -53.6 109 110 A A < - 0 0 3 -3,-1.1 2,-0.3 1,-0.1 -75,-0.1 -0.356 66.5 -93.9 -66.4 153.5 -1.8 -19.4 -56.0 110 111 A P - 0 0 8 0, 0.0 104,-0.3 0, 0.0 2,-0.1 -0.550 41.3-128.7 -69.2 133.8 1.1 -17.4 -54.5 111 112 A I + 0 0 1 102,-1.6 2,-0.3 -2,-0.3 26,-0.2 -0.443 58.4 83.1 -77.8 157.3 0.2 -13.8 -54.0 112 113 A G E S- H 0 136B 1 24,-1.9 24,-2.5 -2,-0.1 2,-0.4 -0.825 80.7 -34.3 142.6-178.0 2.5 -11.2 -55.5 113 114 A L E - H 0 135B 84 -2,-0.3 -50,-0.5 22,-0.2 2,-0.4 -0.612 56.9-167.0 -75.7 127.3 3.5 -9.3 -58.6 114 115 A Y E -FH 62 134B 1 20,-3.5 20,-2.2 -2,-0.4 2,-0.5 -0.940 17.1-143.9-118.8 143.6 3.2 -11.3 -61.8 115 116 A R E -FH 61 133B 115 -54,-2.1 -54,-1.4 -2,-0.4 2,-0.5 -0.915 20.2-150.9-101.2 126.9 4.5 -10.6 -65.3 116 117 A L E -FH 60 132B 5 16,-3.5 16,-1.7 -2,-0.5 15,-1.6 -0.868 16.5-177.9-105.3 126.8 2.1 -11.8 -67.9 117 118 A S E -FH 59 130B 21 -58,-3.1 -58,-2.6 -2,-0.5 2,-0.4 -0.897 13.3-149.7-124.5 154.2 3.4 -12.9 -71.3 118 119 A L E -FH 58 129B 3 11,-3.0 11,-2.4 -2,-0.3 2,-0.6 -0.979 2.4-162.4-129.6 128.4 1.8 -14.1 -74.5 119 120 A E E -FH 57 128B 93 -62,-3.5 -62,-3.0 -2,-0.4 2,-0.6 -0.939 11.2-170.7-107.4 114.9 3.1 -16.5 -77.1 120 121 A A E -FH 56 127B 9 7,-1.8 7,-0.8 -2,-0.6 2,-0.5 -0.872 4.7-178.0-112.3 102.8 1.3 -16.3 -80.5 121 122 A S E -FH 55 126B 31 -66,-2.7 -66,-2.2 -2,-0.6 2,-0.8 -0.858 13.4-169.2-101.8 121.8 2.1 -19.0 -83.0 122 123 A T E > -FH 54 125B 10 3,-1.8 2,-1.0 -2,-0.5 3,-0.5 -0.844 66.9 -67.7-104.5 94.3 0.6 -19.0 -86.5 123 124 A G T 3 S- 0 0 65 -70,-0.8 -2,-0.0 -2,-0.8 -69,-0.0 -0.497 119.5 -3.3 64.1-100.3 1.5 -22.4 -87.9 124 125 A Y T 3 S+ 0 0 102 -2,-1.0 -1,-0.2 -3,-0.0 2,-0.0 0.953 120.6 63.7 -88.1 -66.4 5.3 -22.2 -88.3 125 126 A Q E < - 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0 0 0 152,-2.1 2,-0.5 -2,-0.2 -1,-0.1 -0.301 43.5-140.1 -60.1 152.9 -5.8 -13.2 -51.2 139 140 A N > + 0 0 0 -32,-0.2 3,-1.2 1,-0.1 6,-0.2 -0.860 25.6 178.0-130.7 96.6 -9.5 -13.4 -51.9 140 141 A A T 3 S+ 0 0 0 -2,-0.5 9,-2.2 151,-0.3 -1,-0.1 0.610 85.8 60.8 -69.1 -12.7 -12.0 -13.4 -49.0 141 142 A W T 3 S+ 0 0 32 7,-0.2 -1,-0.2 -121,-0.1 7,-0.1 0.497 85.7 88.3 -89.6 -6.5 -14.9 -13.6 -51.6 142 143 A C X - 0 0 11 -3,-1.2 3,-1.8 1,-0.1 6,-0.2 -0.860 65.6-154.5-103.2 117.6 -13.7 -16.9 -53.0 143 144 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.742 95.4 53.9 -61.3 -29.1 -15.2 -19.9 -51.3 144 145 A A T 3 S+ 0 0 82 -109,-0.1 2,-0.3 -3,-0.1 -109,-0.1 0.521 89.9 97.6 -82.0 -5.0 -12.2 -22.1 -52.3 145 146 A D S X S- 0 0 5 -3,-1.8 3,-2.3 -6,-0.2 -37,-0.1 -0.645 79.5-128.8 -87.0 138.2 -9.7 -19.6 -50.8 146 147 A A T 3 S+ 0 0 26 -39,-0.4 185,-1.5 -2,-0.3 -1,-0.1 0.769 110.0 52.5 -57.3 -24.9 -8.3 -20.3 -47.4 147 148 A V T 3 S+ 0 0 0 183,-0.2 -1,-0.3 -8,-0.2 182,-0.1 0.331 79.5 145.4 -93.6 11.7 -9.2 -16.8 -46.3 148 149 A Y < - 0 0 76 -3,-2.3 2,-0.4 -6,-0.2 -7,-0.2 -0.220 29.8-167.4 -50.1 128.9 -12.8 -17.1 -47.4 149 150 A L - 0 0 0 -9,-2.2 6,-0.1 1,-0.1 -2,-0.1 -0.994 11.4-154.3-116.6 122.5 -15.3 -15.2 -45.2 150 151 A D S S+ 0 0 125 -2,-0.4 2,-0.5 4,-0.1 -1,-0.1 0.530 73.0 78.0 -80.3 -3.3 -19.0 -16.1 -45.9 151 152 A S > - 0 0 26 1,-0.1 4,-1.6 2,-0.0 3,-0.2 -0.915 63.1-157.5-109.2 122.0 -20.4 -12.8 -44.7 152 153 A E H > S+ 0 0 76 -2,-0.5 4,-1.8 1,-0.2 5,-0.1 0.833 94.2 57.5 -65.4 -33.0 -20.2 -9.8 -47.0 153 154 A E H > S+ 0 0 130 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.887 107.6 47.8 -68.1 -34.2 -20.5 -7.4 -44.1 154 155 A E H > S+ 0 0 55 -3,-0.2 4,-3.1 2,-0.2 5,-0.3 0.809 107.4 55.1 -76.3 -30.7 -17.5 -8.9 -42.4 155 156 A R H X>S+ 0 0 29 -4,-1.6 5,-1.6 2,-0.2 4,-1.3 0.857 108.7 50.2 -66.5 -35.2 -15.5 -8.7 -45.7 156 157 A Q H <>S+ 0 0 80 -4,-1.8 5,-1.5 3,-0.2 -2,-0.2 0.902 117.8 39.8 -65.3 -43.8 -16.3 -5.0 -45.8 157 158 A E H <5S+ 0 0 9 -4,-1.7 4,-0.2 3,-0.2 -2,-0.2 0.960 122.6 35.2 -71.6 -53.4 -15.1 -4.6 -42.2 158 159 A Y H <5S+ 0 0 4 -4,-3.1 136,-2.1 1,-0.1 -3,-0.2 0.595 134.2 18.5 -89.3 -9.5 -12.1 -6.8 -42.0 159 160 A V T <5S+ 0 0 0 -4,-1.3 -3,-0.2 -5,-0.3 -2,-0.1 0.701 128.0 33.0-119.9 -47.9 -10.7 -6.2 -45.6 160 161 A L T + 0 0 0 -20,-1.7 3,-2.4 -3,-0.2 6,-0.2 0.751 16.3 162.9 51.1 31.0 -5.2 3.4 -45.2 183 184 A Q T 3 S+ 0 0 0 1,-0.3 -1,-0.1 -22,-0.1 6,-0.1 0.695 72.8 46.9 -55.4 -18.8 -4.4 -0.0 -46.7 184 185 A F T 3 S+ 0 0 18 -24,-0.1 -1,-0.3 4,-0.1 3,-0.1 0.351 83.6 123.7-107.8 8.5 -5.4 1.2 -50.2 185 186 A E S X S- 0 0 65 -3,-2.4 3,-2.4 1,-0.2 4,-0.5 -0.285 77.6 -72.4 -70.0 153.2 -3.6 4.5 -50.3 186 187 A D T 3 S+ 0 0 136 1,-0.3 -1,-0.2 2,-0.1 -161,-0.1 -0.104 118.4 6.3 -44.2 126.6 -1.1 5.4 -53.0 187 188 A G T 3> S+ 0 0 32 -3,-0.1 4,-2.1 1,-0.1 -1,-0.3 0.153 96.9 108.6 88.6 -19.9 2.1 3.4 -52.6 188 189 A I H <> S+ 0 0 0 -3,-2.4 4,-2.1 1,-0.2 5,-0.2 0.901 76.3 49.4 -65.0 -41.3 1.0 1.2 -49.7 189 190 A L H > S+ 0 0 12 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.943 109.9 51.9 -62.9 -46.1 0.6 -2.1 -51.6 190 191 A D H > S+ 0 0 97 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.935 109.0 51.6 -54.9 -44.4 4.1 -1.7 -53.1 191 192 A I H X S+ 0 0 6 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.893 106.7 52.7 -60.7 -39.1 5.5 -1.2 -49.7 192 193 A C H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.915 108.4 51.2 -64.9 -38.9 3.8 -4.3 -48.4 193 194 A L H X S+ 0 0 13 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.931 109.5 49.8 -62.4 -47.3 5.4 -6.3 -51.2 194 195 A I H X S+ 0 0 56 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.922 105.2 58.8 -52.1 -45.4 8.8 -4.9 -50.3 195 196 A L H >< S+ 0 0 2 -4,-2.5 3,-0.6 1,-0.2 4,-0.3 0.915 110.1 41.8 -57.6 -42.5 8.2 -5.9 -46.7 196 197 A L H >< S+ 0 0 3 -4,-1.8 3,-1.5 1,-0.2 6,-0.3 0.918 111.1 58.0 -64.0 -44.0 7.8 -9.5 -47.7 197 198 A D H 3< S+ 0 0 61 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.550 108.4 45.4 -67.7 -10.8 10.7 -9.2 -50.1 198 199 A V T << S+ 0 0 26 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.367 84.1 119.1-111.0 4.5 13.1 -8.2 -47.3 199 200 A N S X> S- 0 0 4 -3,-1.5 3,-1.4 -4,-0.3 4,-1.2 -0.335 77.6-111.7 -73.5 152.9 12.0 -10.8 -44.7 200 201 A P H 3> S+ 0 0 88 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.775 114.7 59.8 -59.2 -24.5 14.7 -13.2 -43.6 201 202 A K H 3> S+ 0 0 85 1,-0.2 4,-1.9 2,-0.2 8,-0.3 0.812 103.6 50.2 -74.0 -28.3 13.1 -16.1 -45.3 202 203 A F H <4 S+ 0 0 39 -3,-1.4 4,-0.4 -6,-0.3 -1,-0.2 0.778 110.2 51.0 -74.9 -29.5 13.4 -14.5 -48.7 203 204 A L H < S+ 0 0 130 -4,-1.2 3,-0.3 2,-0.2 -2,-0.2 0.908 112.9 46.2 -73.6 -41.6 17.1 -13.8 -48.0 204 205 A K H < S- 0 0 183 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.856 139.6 -4.6 -68.5 -39.9 17.6 -17.4 -47.1 205 206 A N X - 0 0 85 -4,-1.9 4,-2.4 -5,-0.1 3,-0.2 -0.531 63.0-175.4-163.1 84.8 15.7 -18.9 -50.1 206 207 A A H > S+ 0 0 27 -4,-0.4 4,-2.6 -3,-0.3 5,-0.3 0.890 84.7 49.7 -51.3 -55.8 14.0 -16.5 -52.4 207 208 A G H > S+ 0 0 16 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.871 113.9 47.1 -56.6 -40.0 12.2 -19.0 -54.7 208 209 A R H > S+ 0 0 153 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.907 110.7 50.8 -70.2 -41.4 10.9 -20.9 -51.7 209 210 A D H X S+ 0 0 2 -4,-2.4 4,-1.2 -8,-0.3 -2,-0.2 0.952 109.8 50.4 -60.8 -48.4 9.6 -17.8 -49.9 210 211 A C H < S+ 0 0 5 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.863 112.2 48.3 -58.1 -36.2 7.7 -16.6 -53.0 211 212 A S H >< S+ 0 0 26 -4,-1.4 3,-1.0 -5,-0.3 -1,-0.2 0.878 105.6 56.9 -70.5 -39.1 6.1 -20.0 -53.3 212 213 A R H >< S+ 0 0 79 -4,-2.3 3,-2.4 1,-0.3 7,-0.3 0.687 82.3 86.1 -71.3 -18.5 5.1 -20.1 -49.7 213 214 A R T 3< + 0 0 12 -4,-1.2 -102,-1.6 1,-0.3 -1,-0.3 0.373 68.5 81.8 -59.3 5.1 3.2 -16.8 -50.1 214 215 A S T < S+ 0 0 38 -3,-1.0 -1,-0.3 -104,-0.3 -2,-0.2 0.759 84.4 74.3 -76.1 -23.1 0.3 -19.1 -51.3 215 216 A S <> - 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