==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-MAY-10 3MZW . COMPND 2 MOLECULE: TYROSINE KINASE-TYPE CELL SURFACE RECEPTOR HER2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.EIGENBROT,M.H.ULTSCH . 622 3 22 22 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30423.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 9.8 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 . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 . 47 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 3 0 1 0 0 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 7 4 3 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 PARALLEL BRIDGES PER LADDER . 13 1 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 2 3 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 T 0 0 115 0, 0.0 31,-0.1 0, 0.0 457,-0.0 0.000 360.0 360.0 360.0 128.1 24.4 -53.1 -4.5 2 2 A Q + 0 0 124 29,-0.1 30,-3.0 30,-0.1 31,-1.6 0.741 360.0 64.9 -71.6 -25.4 26.6 -54.9 -2.0 3 3 A V E +a 33 0A 27 28,-0.2 2,-0.3 29,-0.2 31,-0.2 -0.749 58.5 166.3-106.4 148.0 29.6 -52.7 -2.7 4 4 A a E -a 34 0A 8 29,-2.2 31,-3.4 -2,-0.3 2,-0.3 -0.983 33.6-112.4-154.0 157.9 30.2 -49.0 -2.1 5 5 A T E -a 35 0A 62 -2,-0.3 31,-0.2 29,-0.2 29,-0.1 -0.763 30.1-145.6 -95.4 142.6 32.9 -46.3 -2.1 6 6 A G - 0 0 7 29,-2.5 2,-0.2 -2,-0.3 32,-0.2 0.358 23.0 -95.8 -83.3-145.8 33.8 -44.7 1.2 7 7 A T B -F 37 0B 5 30,-2.7 30,-0.7 403,-0.0 402,-0.2 -0.707 11.2-150.3-131.8-173.7 35.0 -41.1 1.8 8 8 A D + 0 0 59 400,-2.0 400,-0.1 -2,-0.2 401,-0.1 -0.224 60.1 103.8-159.0 52.1 38.1 -39.0 2.2 9 9 A M > - 0 0 16 1,-0.2 3,-2.1 400,-0.1 400,-0.1 0.406 49.6-176.3-115.0 -0.9 37.5 -36.0 4.5 10 10 A K T 3 S- 0 0 61 1,-0.3 -1,-0.2 398,-0.1 55,-0.1 -0.061 70.2 -13.9 42.1-127.5 39.3 -37.3 7.6 11 11 A L T 3 S+ 0 0 56 2,-0.0 -1,-0.3 30,-0.0 -2,-0.0 0.517 102.1 121.2 -86.7 -3.1 39.0 -34.8 10.5 12 12 A R S < S- 0 0 131 -3,-2.1 3,-0.1 1,-0.1 -3,-0.1 -0.253 72.9-105.8 -55.0 139.6 37.8 -31.9 8.2 13 13 A L - 0 0 133 1,-0.1 -1,-0.1 2,-0.0 -2,-0.0 -0.436 45.2 -89.2 -73.2 149.2 34.4 -30.6 9.3 14 14 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.214 24.5-139.0 -58.7 143.5 31.5 -31.5 7.1 15 15 A A S S+ 0 0 51 1,-0.3 -2,-0.0 -3,-0.1 5,-0.0 0.953 98.6 26.7 -65.8 -48.4 30.7 -29.1 4.2 16 16 A S >> + 0 0 1 1,-0.2 3,-1.4 2,-0.0 4,-1.3 -0.779 64.0 175.7-120.9 92.7 27.0 -29.4 4.8 17 17 A P H 3> S+ 0 0 83 0, 0.0 4,-0.5 0, 0.0 3,-0.3 0.860 81.9 62.2 -59.0 -37.0 26.1 -30.3 8.4 18 18 A E H 34 S+ 0 0 128 1,-0.2 4,-0.1 2,-0.1 447,-0.1 0.729 119.3 26.5 -59.8 -22.1 22.4 -30.0 7.7 19 19 A T H <> S+ 0 0 11 -3,-1.4 4,-2.5 2,-0.1 -1,-0.2 0.484 92.4 100.9-118.6 -7.7 22.8 -32.9 5.2 20 20 A H H X S+ 0 0 9 -4,-1.3 4,-2.3 -3,-0.3 5,-0.2 0.852 86.3 44.2 -53.4 -46.3 25.8 -34.8 6.6 21 21 A L H X S+ 0 0 49 -4,-0.5 4,-2.3 1,-0.2 -1,-0.3 0.920 114.2 49.7 -66.3 -43.3 23.8 -37.6 8.2 22 22 A D H > S+ 0 0 49 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.845 108.8 54.8 -65.2 -33.3 21.5 -38.0 5.3 23 23 A M H X S+ 0 0 2 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.964 107.5 48.0 -63.8 -54.7 24.6 -38.1 3.1 24 24 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.887 108.6 56.0 -50.6 -45.2 26.1 -41.0 5.1 25 25 A R H X S+ 0 0 100 -4,-2.3 4,-1.7 1,-0.3 -1,-0.2 0.961 108.5 45.4 -59.5 -49.7 22.8 -42.8 4.9 26 26 A H H < S+ 0 0 64 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.814 115.4 51.7 -58.4 -29.2 22.7 -42.7 1.1 27 27 A L H < S+ 0 0 13 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.921 121.9 22.7 -76.5 -44.1 26.4 -43.8 1.1 28 28 A Y H >< S+ 0 0 0 -4,-2.6 3,-1.7 -5,-0.1 2,-0.3 0.368 78.4 136.0-110.7 0.9 26.3 -46.9 3.4 29 29 A Q T 3< S- 0 0 106 -4,-1.7 23,-0.1 1,-0.3 3,-0.1 -0.363 94.0 -15.8 -58.7 110.5 22.7 -48.0 3.2 30 30 A G T 3 S+ 0 0 27 21,-0.6 -1,-0.3 -2,-0.3 22,-0.1 0.464 99.4 148.7 73.2 0.9 22.9 -51.8 2.8 31 31 A a < + 0 0 0 -3,-1.7 -1,-0.2 20,-0.3 -28,-0.2 -0.397 22.9 176.5 -67.6 144.1 26.5 -51.5 1.8 32 32 A Q + 0 0 57 -30,-3.0 24,-2.7 1,-0.3 25,-1.8 0.573 66.7 41.9-120.8 -26.5 28.7 -54.6 2.8 33 33 A V E -ab 3 57A 22 -31,-1.6 -29,-2.2 23,-0.2 2,-0.9 -0.990 69.1-151.9-131.1 123.2 32.1 -53.8 1.4 34 34 A V E -ab 4 58A 0 23,-2.5 25,-2.8 -2,-0.4 2,-1.0 -0.834 5.1-153.1-100.8 104.2 33.6 -50.3 1.6 35 35 A Q E S-a 5 0A 19 -31,-3.4 -29,-2.5 -2,-0.9 2,-0.3 -0.665 76.2 -6.1 -67.8 103.5 36.0 -49.6 -1.2 36 36 A G S S- 0 0 12 -2,-1.0 24,-2.7 -31,-0.2 2,-0.3 -0.779 114.0 -10.1 109.1-153.4 38.1 -47.0 0.6 37 37 A N B -F 7 0B 3 -30,-0.7 -30,-2.7 -2,-0.3 2,-0.8 -0.694 44.1-145.0-100.6 139.8 37.8 -45.4 4.0 38 38 A L E -g 62 0C 0 23,-2.0 25,-2.7 -2,-0.3 2,-0.5 -0.891 27.1-179.4 -98.4 102.8 34.8 -45.6 6.4 39 39 A E E +g 63 0C 1 -2,-0.8 2,-0.5 23,-0.2 25,-0.2 -0.940 10.1 176.8-112.3 124.9 34.8 -42.1 8.0 40 40 A L E +g 64 0C 0 23,-3.3 25,-1.6 -2,-0.5 2,-0.4 -0.899 19.9 154.8-134.5 96.8 32.2 -41.4 10.6 41 41 A T E +g 65 0C 0 -2,-0.5 25,-0.2 23,-0.2 26,-0.1 -0.965 48.6 14.5-136.3 144.1 32.7 -38.0 12.2 42 42 A Y + 0 0 74 23,-1.7 25,-0.2 -2,-0.4 -1,-0.2 0.911 68.8 168.0 62.0 49.4 30.6 -35.4 13.9 43 43 A L - 0 0 0 22,-0.3 25,-3.6 -3,-0.2 26,-1.3 -0.836 32.5-124.4 -96.4 126.7 27.5 -37.5 14.6 44 44 A P > - 0 0 69 0, 0.0 3,-2.2 0, 0.0 25,-0.1 -0.264 29.3 -97.3 -75.0 158.0 25.0 -35.8 17.0 45 45 A T T 3 S+ 0 0 61 1,-0.3 25,-0.5 24,-0.1 61,-0.1 0.766 117.2 34.9 -50.8 -44.6 23.9 -37.5 20.2 46 46 A N T 3 S+ 0 0 148 23,-0.1 -1,-0.3 24,-0.1 -3,-0.0 0.419 83.9 145.9 -94.3 11.3 20.6 -39.0 19.2 47 47 A A < - 0 0 17 -3,-2.2 2,-0.5 1,-0.1 -4,-0.0 -0.170 48.5-129.9 -58.7 124.9 21.6 -39.9 15.6 48 48 A S + 0 0 82 1,-0.1 3,-0.2 21,-0.0 -1,-0.1 -0.627 32.4 170.2 -75.7 120.2 20.1 -43.1 14.0 49 49 A L > + 0 0 9 -2,-0.5 3,-1.8 1,-0.1 -1,-0.1 0.085 32.5 121.4-123.7 22.4 22.9 -45.1 12.5 50 50 A S G > + 0 0 61 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.678 58.8 81.4 -69.2 -15.5 21.4 -48.5 11.6 51 51 A F G 3 S+ 0 0 6 1,-0.3 -21,-0.6 -3,-0.2 3,-0.4 0.637 86.1 61.8 -62.0 -10.4 22.4 -48.0 7.9 52 52 A L G X S+ 0 0 0 -3,-1.8 3,-1.6 1,-0.2 -1,-0.3 0.559 75.2 94.5 -89.3 -7.6 25.9 -49.2 8.9 53 53 A Q T < S+ 0 0 87 -3,-1.9 23,-0.2 1,-0.3 -1,-0.2 0.640 77.3 56.8 -70.1 -18.9 24.8 -52.6 10.2 54 54 A D T 3 S+ 0 0 56 -3,-0.4 -1,-0.3 -26,-0.2 2,-0.2 0.625 76.3 116.3 -84.9 -14.2 25.5 -54.5 6.9 55 55 A I < + 0 0 1 -3,-1.6 -23,-0.2 1,-0.2 -22,-0.2 -0.378 24.5 157.7 -63.1 121.5 29.2 -53.5 6.6 56 56 A Q + 0 0 79 -24,-2.7 22,-2.9 1,-0.3 23,-1.8 0.652 62.4 34.5-110.7 -27.9 31.6 -56.5 6.9 57 57 A E E -bc 33 79A 27 -25,-1.8 -23,-2.5 21,-0.2 2,-0.5 -0.991 52.8-168.8-138.0 136.4 34.7 -55.3 5.1 58 58 A V E -bc 34 80A 0 21,-2.2 23,-2.2 -2,-0.4 24,-0.6 -0.968 6.7-163.8-125.0 114.6 36.5 -52.0 4.8 59 59 A Q S S+ 0 0 33 -25,-2.8 24,-3.0 -2,-0.5 25,-0.2 0.890 79.9 32.2 -58.3 -42.2 39.3 -51.8 2.2 60 60 A G S S- 0 0 0 -24,-2.7 22,-1.4 -26,-0.5 2,-0.3 0.745 108.7 -61.3 -88.1-118.2 40.8 -48.6 3.7 61 61 A Y - 0 0 2 21,-0.2 -23,-2.0 20,-0.1 2,-0.5 -0.860 41.0-119.9-128.7 169.2 40.9 -47.5 7.3 62 62 A V E -gh 38 92C 2 29,-3.0 31,-3.0 -2,-0.3 2,-0.5 -0.957 23.9-173.3-114.7 127.9 38.1 -46.7 9.8 63 63 A L E +gh 39 93C 0 -25,-2.7 -23,-3.3 -2,-0.5 2,-0.6 -0.962 8.7 176.4-124.1 117.6 37.9 -43.3 11.4 64 64 A I E +gh 40 94C 1 29,-2.7 31,-1.6 -2,-0.5 2,-0.3 -0.915 28.2 154.1-120.7 100.1 35.4 -42.6 14.2 65 65 A A E +gh 41 95C 0 -25,-1.6 -23,-1.7 -2,-0.6 -22,-0.3 -0.947 46.4 3.5-140.1 148.6 35.9 -39.0 15.4 66 66 A H S S+ 0 0 60 29,-1.9 2,-0.3 -2,-0.3 31,-0.2 0.794 81.9 153.5 49.4 36.8 34.3 -36.0 17.1 67 67 A N - 0 0 2 28,-0.3 31,-0.3 -25,-0.2 40,-0.3 -0.659 41.0-165.4 -96.6 152.7 31.0 -37.9 17.7 68 68 A Q + 0 0 44 -25,-3.6 38,-2.2 -2,-0.3 31,-0.1 0.679 59.0 106.8 -99.7 -27.1 28.4 -37.3 20.3 69 69 A V - 0 0 5 -26,-1.3 -24,-0.1 36,-0.2 -23,-0.1 -0.073 66.6-138.2 -52.7 156.4 26.5 -40.6 19.8 70 70 A R S S+ 0 0 73 -25,-0.5 38,-2.9 1,-0.2 39,-0.7 0.708 80.4 22.0 -90.9 -26.0 26.9 -43.3 22.4 71 71 A Q - 0 0 53 36,-0.2 -1,-0.2 37,-0.1 39,-0.1 -0.991 57.5-149.7-142.7 148.5 27.2 -46.3 20.1 72 72 A V - 0 0 0 37,-0.4 2,-2.6 -2,-0.3 -22,-0.0 -0.959 26.1-132.4-118.4 113.9 28.2 -47.0 16.5 73 73 A P + 0 0 25 0, 0.0 3,-0.2 0, 0.0 38,-0.1 -0.310 61.2 129.2 -67.7 71.8 26.4 -50.1 15.1 74 74 A L > + 0 0 1 -2,-2.6 3,-1.8 36,-0.3 40,-0.3 0.014 17.8 129.3-114.0 29.2 29.4 -51.8 13.6 75 75 A Q T 3 S+ 0 0 39 1,-0.3 39,-0.6 37,-0.1 -1,-0.1 0.712 71.8 53.6 -58.3 -25.3 28.9 -55.3 15.1 76 76 A R T 3 S+ 0 0 125 -3,-0.2 2,-0.3 -23,-0.2 -1,-0.3 0.567 73.9 122.3 -88.4 -9.3 29.2 -57.1 11.7 77 77 A L < + 0 0 3 -3,-1.8 37,-0.2 1,-0.2 -21,-0.2 -0.400 29.4 166.8 -61.9 118.5 32.6 -55.5 10.7 78 78 A R + 0 0 42 -22,-2.9 38,-1.9 -2,-0.3 39,-1.4 0.791 54.9 15.9-105.0 -41.3 34.9 -58.5 10.1 79 79 A I E -cd 57 117A 2 -23,-1.8 -21,-2.2 36,-0.2 2,-0.5 -0.992 45.1-166.9-149.5 128.2 38.0 -57.2 8.4 80 80 A V E -cd 58 118A 1 37,-1.8 39,-1.2 -2,-0.4 40,-0.5 -0.994 10.7-166.0-113.4 123.5 39.7 -53.9 7.7 81 81 A R - 0 0 22 -23,-2.2 -21,-0.2 -2,-0.5 -22,-0.2 0.703 21.5-139.9 -83.7 -25.9 42.4 -54.3 5.0 82 82 A G + 0 0 0 -22,-1.4 -22,-0.3 -24,-0.6 -21,-0.2 0.844 40.3 159.3 68.1 36.0 44.2 -51.0 5.5 83 83 A T S S+ 0 0 88 -24,-3.0 2,-0.3 -23,-0.2 -23,-0.2 0.861 81.8 20.3 -56.2 -38.8 44.9 -50.3 1.8 84 84 A Q S S- 0 0 78 -25,-0.2 2,-0.4 36,-0.1 -1,-0.1 -0.971 85.2-148.8-122.4 151.6 45.2 -46.7 3.0 85 85 A L > - 0 0 29 -2,-0.3 3,-1.8 -24,-0.1 2,-0.4 -0.915 23.8-106.9-120.3 144.5 46.0 -45.8 6.6 86 86 A F B >> S-I 90 0C 7 4,-2.4 4,-2.2 -2,-0.4 3,-1.8 -0.566 109.8 -4.3 -70.3 124.7 45.0 -42.7 8.6 87 87 A E T 34 S- 0 0 102 -2,-0.4 -1,-0.3 1,-0.3 0, 0.0 0.832 122.5 -77.6 56.4 36.3 48.1 -40.6 9.0 88 88 A D T <4 S+ 0 0 141 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.670 129.3 71.7 45.4 23.2 49.9 -43.5 7.2 89 89 A N T <4 S+ 0 0 62 -3,-1.8 33,-2.3 1,-0.2 2,-0.3 0.721 78.8 59.0-126.5 -46.9 49.8 -45.3 10.6 90 90 A Y E < -Ij 86 122C 14 -4,-2.2 -4,-2.4 31,-0.3 -1,-0.2 -0.761 36.8-171.4-114.1 138.8 46.4 -46.6 11.8 91 91 A A E S+ 0 0 0 31,-3.2 -29,-3.0 -2,-0.3 2,-0.4 0.719 93.9 32.1 -88.4 -27.5 43.8 -49.0 10.4 92 92 A L E +hj 62 123C 5 30,-1.8 32,-2.4 -31,-0.2 2,-0.5 -0.981 68.5 179.1-135.9 119.1 41.4 -47.9 13.1 93 93 A A E +hj 63 124C 1 -31,-3.0 -29,-2.7 -2,-0.4 2,-0.6 -0.963 3.1 179.6-126.4 113.1 41.4 -44.4 14.6 94 94 A V E +hj 64 125C 0 30,-2.6 32,-2.0 -2,-0.5 2,-0.4 -0.918 22.0 171.0-114.2 101.2 38.8 -43.6 17.3 95 95 A L E -hj 65 126C 5 -31,-1.6 -29,-1.9 -2,-0.6 -28,-0.3 -0.928 44.8 -15.9-126.3 133.6 39.3 -39.9 18.3 96 96 A D + 0 0 42 30,-2.4 2,-0.8 -2,-0.4 32,-0.2 0.844 62.9 159.4 56.4 48.7 37.7 -37.3 20.5 97 97 A N + 0 0 0 30,-0.4 33,-0.5 29,-0.3 10,-0.3 -0.847 39.2 86.5-104.8 99.0 34.2 -38.7 21.0 98 98 A G S S- 0 0 17 -2,-0.8 8,-0.2 -31,-0.3 -29,-0.1 -0.828 86.1 -64.5 171.3 145.9 32.9 -36.8 24.1 99 99 A D - 0 0 77 6,-0.9 2,-2.2 -2,-0.2 -2,-0.0 -0.112 46.4-123.1 -51.7 130.9 31.1 -33.7 25.1 100 100 A P 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.336 360.0 360.0 -74.6 59.0 33.1 -30.4 24.4 101 101 A L 0 0 214 -2,-2.2 -2,-0.1 0, 0.0 0, 0.0 0.389 360.0 360.0 38.2 360.0 33.1 -29.2 28.0 102 ! 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 0.0 103 111 A S 0 0 148 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -62.9 23.1 -38.1 30.2 104 112 A P - 0 0 60 0, 0.0 2,-0.1 0, 0.0 -36,-0.0 -0.401 360.0-131.2 -70.3 148.5 26.6 -37.2 29.1 105 113 A G + 0 0 2 -2,-0.1 -6,-0.9 3,-0.0 -36,-0.2 -0.408 50.8 97.9 -92.9 173.5 27.4 -38.0 25.4 106 114 A G S S- 0 0 0 -38,-2.2 -8,-0.2 -8,-0.2 -38,-0.1 -0.315 78.7 -59.2 125.3 152.5 30.4 -39.8 23.8 107 115 A L - 0 0 1 -10,-0.3 23,-0.2 -40,-0.3 -36,-0.2 -0.343 45.6-175.0 -61.6 136.6 31.0 -43.3 22.6 108 116 A R + 0 0 103 -38,-2.9 24,-2.3 1,-0.4 2,-0.3 0.821 64.6 9.9-104.4 -43.8 30.6 -45.8 25.4 109 117 A E - 0 0 23 -39,-0.7 -37,-0.4 22,-0.2 -1,-0.4 -0.947 56.8-142.0-131.0 154.5 31.6 -49.2 23.9 110 118 A L - 0 0 4 22,-0.5 -36,-0.3 -2,-0.3 -38,-0.2 0.875 26.2-171.1 -81.1 -38.5 33.3 -50.1 20.6 111 119 A Q + 0 0 31 64,-1.6 -37,-0.3 1,-0.2 2,-0.2 0.880 27.7 148.1 48.3 52.8 31.3 -53.2 20.0 112 120 A L > + 0 0 3 1,-0.2 3,-2.7 69,-0.1 -1,-0.2 -0.407 10.7 159.3-106.0 53.6 33.2 -54.5 17.1 113 121 A R T 3 + 0 0 79 1,-0.3 71,-0.4 -2,-0.2 -1,-0.2 0.657 69.7 50.7 -56.7 -19.7 32.6 -58.1 18.1 114 122 A S T 3 S+ 0 0 25 -39,-0.6 2,-1.0 -40,-0.3 -1,-0.3 0.445 78.2 115.1 -93.9 -4.3 33.3 -59.4 14.5 115 123 A L < + 0 0 3 -3,-2.7 -37,-0.2 1,-0.2 -36,-0.2 -0.578 24.1 134.9 -79.3 105.8 36.6 -57.6 14.1 116 124 A T + 0 0 2 -38,-1.9 2,-0.4 -2,-1.0 -1,-0.2 0.469 55.8 55.9-128.1 -10.1 39.2 -60.4 13.8 117 125 A E E +d 79 0A 0 -39,-1.4 -37,-1.8 -3,-0.2 2,-0.5 -0.949 41.1 168.7-136.4 118.9 41.5 -59.4 10.9 118 126 A I E -de 80 143A 0 24,-2.5 26,-2.2 -2,-0.4 -37,-0.2 -0.917 11.1-173.6-121.3 105.5 43.5 -56.2 10.3 119 127 A L + 0 0 34 -39,-1.2 2,-0.3 -2,-0.5 -38,-0.2 0.833 67.8 12.2 -63.4 -37.0 45.8 -56.8 7.4 120 128 A K S S+ 0 0 119 -40,-0.5 -1,-0.2 -36,-0.1 -36,-0.1 -0.990 100.4 20.4-155.3 130.1 47.7 -53.6 7.6 121 129 A G - 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0 0 36 -30,-3.1 -21,-0.1 -2,-0.5 -20,-0.1 -0.510 7.7-177.6 -73.3 141.2 44.6 -43.6 25.9 156 164 A T + 0 0 59 -2,-0.2 -1,-0.1 -22,-0.1 -21,-0.1 0.614 34.2 126.7-120.4 -18.2 42.6 -44.8 29.0 157 165 A N + 0 0 129 2,-0.1 -29,-0.4 1,-0.0 2,-0.2 -0.136 37.4 173.1 -39.7 127.6 41.5 -41.7 30.9 158 166 A R - 0 0 68 -28,-0.1 -28,-0.2 -31,-0.1 3,-0.1 -0.773 41.5-137.8-130.3 178.2 37.7 -41.9 31.5 159 167 A S S S+ 0 0 91 -30,-2.5 2,-0.3 -2,-0.2 -29,-0.1 0.064 87.2 44.2-126.3 21.8 35.0 -40.1 33.4 160 168 A R S S- 0 0 51 -31,-0.3 2,-0.2 -29,-0.1 -1,-0.1 -0.976 82.3-110.7-157.2 151.4 33.1 -43.2 34.6 161 169 A A - 0 0 91 -2,-0.3 2,-0.3 -3,-0.1 -29,-0.0 -0.621 36.3-130.4 -80.7 147.1 34.0 -46.6 36.1 162 170 A b - 0 0 46 -2,-0.2 3,-0.1 -31,-0.1 -31,-0.0 -0.772 12.2-121.8 -97.6 142.9 33.3 -49.6 33.8 163 171 A H - 0 0 115 -2,-0.3 2,-0.2 1,-0.1 3,-0.1 -0.402 46.1 -92.9 -65.9 157.9 31.4 -52.7 34.7 164 172 A P - 0 0 113 0, 0.0 -1,-0.1 0, 0.0 8,-0.0 -0.557 44.3 -92.3 -78.5 145.6 33.5 -55.8 34.4 165 173 A c - 0 0 18 -2,-0.2 12,-0.1 7,-0.2 13,-0.1 -0.262 63.3 -81.1 -47.5 129.3 33.5 -57.9 31.1 166 174 A S > - 0 0 23 11,-0.9 3,-2.7 10,-0.4 -1,-0.1 -0.010 35.6-121.5 -35.3 135.4 30.8 -60.6 31.4 167 175 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.688 110.3 74.8 -59.4 -14.2 32.1 -63.7 33.4 168 176 A M T 3 S+ 0 0 155 4,-0.0 2,-0.2 0, 0.0 -2,-0.1 0.618 71.4 108.6 -71.4 -18.6 31.3 -65.5 30.2 169 177 A d S < S- 0 0 11 -3,-2.7 5,-0.1 1,-0.1 15,-0.1 -0.437 73.9-129.0 -71.9 136.0 34.4 -64.1 28.4 170 178 A K S S+ 0 0 177 13,-0.2 2,-0.1 -2,-0.2 -1,-0.1 0.867 97.5 2.9 -48.7 -53.8 37.3 -66.4 27.6 171 179 A G S S- 0 0 42 2,-0.3 11,-0.0 12,-0.2 -2,-0.0 -0.086 105.7 -84.2 -99.0-148.1 39.9 -64.0 29.1 172 180 A S S S+ 0 0 91 -36,-0.1 2,-0.5 -2,-0.1 -7,-0.2 -0.459 93.2 124.3-111.7 57.9 38.6 -60.8 30.7 173 181 A R + 0 0 98 10,-0.1 10,-1.7 -7,-0.1 2,-0.3 -0.955 30.6 149.3-129.6 110.0 38.6 -59.3 27.3 174 182 A c B -L 182 0D 0 -2,-0.5 8,-0.2 8,-0.3 -38,-0.2 -0.918 52.0-134.5-141.8 163.2 35.5 -57.7 25.7 175 183 A W S S- 0 0 5 6,-3.5 -64,-1.6 -2,-0.3 2,-0.2 0.034 90.6 -26.2 -97.0 19.3 34.1 -55.1 23.3 176 184 A G S S- 0 0 0 5,-0.3 -10,-0.4 1,-0.1 -1,-0.2 -0.849 79.1 -66.5 150.6 171.8 31.5 -54.2 26.0 177 185 A E S S+ 0 0 93 -2,-0.2 -11,-0.9 -12,-0.1 -1,-0.1 0.885 96.7 86.6 -56.3 -50.2 29.4 -55.0 29.0 178 186 A S S > S- 0 0 50 1,-0.1 3,-1.0 -3,-0.1 -12,-0.3 -0.034 82.9-122.5 -56.5 154.1 27.1 -57.6 27.3 179 187 A S G > S+ 0 0 64 1,-0.2 3,-0.7 2,-0.1 -1,-0.1 0.590 109.6 65.4 -77.0 -13.9 28.1 -61.2 27.0 180 188 A E G 3 S+ 0 0 133 1,-0.2 -1,-0.2 -11,-0.0 -2,-0.1 0.629 90.3 74.4 -75.2 -11.4 27.8 -61.2 23.2 181 189 A D G < + 0 0 0 -3,-1.0 -6,-3.5 -5,-0.2 2,-0.3 0.223 60.1 126.9 -93.3 10.0 30.8 -58.8 23.4 182 190 A d B < -L 174 0D 30 -3,-0.7 -8,-0.3 -8,-0.2 2,-0.2 -0.562 66.9-114.1 -71.6 128.7 33.6 -61.2 24.3 183 191 A Q - 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