==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/IMMUNE SYSTEM 06-OCT-12 4HG4 . COMPND 2 MOLECULE: HEMAGGLUTININ HA1; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR R.XU,I.A.WILSON . 7479 54 75 65 10 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 312310.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 4778 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 292 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1847 24.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 29 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 99 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 9 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 9 0.1 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 . 902 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 471 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 912 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 74 1.0 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 5 1 16 5 14 0 0 0 8 0 0 0 2 0 2 5 0 0 0 0 0 0 0 0 0 0 9 RESIDUES PER ALPHA HELIX . 40 26 25 6 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 . 87 89 62 41 32 64 17 0 13 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 . 32 43 38 13 1 24 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 9 A P 0 0 114 0, 0.0 2,-0.2 0, 0.0 6588,-0.0 0.000 360.0 360.0 360.0-152.2 -44.0 18.1 -96.0 2 10 A G - 0 0 23 465,-0.0 2,-0.3 350,-0.0 463,-0.1 -0.291 360.0-156.7 -80.6 127.4 -45.6 16.9 -99.1 3 11 A D - 0 0 7 463,-0.5 461,-3.1 461,-0.2 2,-0.3 -0.596 49.1-165.9 -62.7 153.5 -45.3 14.2 -101.6 4 12 A Q E -A 463 0A 18 -2,-0.3 347,-2.9 459,-0.2 2,-0.4 -0.976 32.8-160.3-166.1 128.7 -47.1 16.0 -104.4 5 13 A I E -A 462 0A 0 457,-0.8 457,-2.7 -2,-0.3 2,-0.3 -0.900 20.3-160.7-112.9 144.8 -48.8 15.7 -107.8 6 14 A a E -A 461 0A 8 343,-0.4 343,-1.0 -2,-0.4 2,-0.5 -0.907 11.3-144.7-128.5 156.8 -49.3 18.7 -110.1 7 15 A I E +C 348 0B 1 453,-2.2 2,-0.3 -2,-0.3 341,-0.2 -0.981 36.7 138.1-122.7 127.8 -51.6 19.5 -113.0 8 16 A G E -C 347 0B 0 339,-2.6 339,-2.2 -2,-0.5 2,-0.3 -0.958 35.8-123.2-158.8 173.4 -50.3 21.7 -115.9 9 17 A Y E -C 346 0B 0 327,-0.3 329,-2.4 -2,-0.3 337,-0.3 -0.871 34.4 -84.5-130.7 159.0 -50.1 22.3 -119.6 10 18 A H + 0 0 17 335,-4.9 311,-0.3 -2,-0.3 2,-0.3 -0.120 39.9 172.1 -54.5 145.6 -47.6 22.8 -122.4 11 19 A A + 0 0 1 330,-0.5 2,-0.2 327,-0.4 309,-0.1 -0.927 8.3 161.5-141.7 162.5 -46.0 26.2 -123.2 12 20 A N - 0 0 25 -2,-0.3 327,-0.1 2,-0.2 325,-0.1 -0.715 52.2 -71.8-153.7-151.0 -43.1 26.9 -125.6 13 21 A N S S+ 0 0 152 -2,-0.2 2,-0.2 16,-0.1 16,-0.1 0.312 74.6 133.5 -99.4 6.5 -41.2 29.5 -127.7 14 22 A S - 0 0 37 1,-0.1 -2,-0.2 2,-0.1 306,-0.1 -0.416 31.9-177.9 -70.9 125.1 -44.0 30.0 -130.3 15 23 A T + 0 0 101 -2,-0.2 2,-1.1 12,-0.1 -1,-0.1 0.286 35.6 136.4-101.8 7.8 -44.8 33.6 -131.2 16 24 A E - 0 0 104 12,-0.4 12,-1.6 13,-0.2 2,-0.1 -0.415 41.2-158.3 -66.5 94.4 -47.5 32.6 -133.6 17 25 A K E -E 27 0C 98 -2,-1.1 2,-0.3 10,-0.2 10,-0.2 -0.441 12.0-177.0 -74.5 141.1 -50.4 35.0 -132.8 18 26 A V E -E 26 0C 2 8,-2.2 8,-2.1 -2,-0.1 2,-0.3 -0.895 17.6-125.5-129.3 165.9 -54.0 34.3 -133.7 19 27 A D + 0 0 43 294,-0.4 2,-0.2 -2,-0.3 296,-0.2 -0.873 22.6 174.9-113.6 147.7 -57.3 36.2 -133.4 20 28 A T - 0 0 0 3,-2.2 406,-0.2 -2,-0.3 405,-0.1 -0.699 47.1 -95.7-128.3-171.7 -60.6 35.3 -131.8 21 29 A I S S+ 0 0 8 404,-0.5 1343,-0.2 -2,-0.2 405,-0.1 0.942 123.5 36.9 -76.4 -47.7 -63.8 37.3 -131.3 22 30 A L S S+ 0 0 23 403,-0.1 2,-0.3 1339,-0.1 1338,-0.2 0.814 124.1 37.5 -66.8 -33.6 -63.1 38.4 -127.7 23 31 A E - 0 0 66 1337,-0.1 -3,-2.2 1338,-0.0 2,-0.3 -0.806 55.5-160.2-129.8 159.9 -59.3 38.9 -128.4 24 32 A R S S+ 0 0 88 -2,-0.3 -5,-0.1 -5,-0.2 -6,-0.1 -0.869 75.7 21.8-126.7 165.0 -56.6 39.9 -130.8 25 33 A N S S+ 0 0 104 -2,-0.3 2,-0.6 1,-0.2 -6,-0.2 0.723 75.9 172.7 56.9 27.2 -52.8 39.2 -131.0 26 34 A V E -E 18 0C 7 -8,-2.1 -8,-2.2 -3,-0.1 2,-0.3 -0.558 25.9-138.1 -80.2 114.3 -53.2 36.0 -128.9 27 35 A T E -E 17 0C 44 -2,-0.6 293,-3.1 -10,-0.2 2,-0.3 -0.489 26.8-174.0 -78.7 130.6 -50.0 34.0 -128.8 28 36 A V B -F 319 0D 0 -12,-1.6 -12,-0.4 -2,-0.3 291,-0.2 -0.792 35.5-130.5-125.1 161.8 -50.4 30.2 -129.1 29 37 A T S S+ 0 0 1 289,-2.9 2,-0.4 -2,-0.3 -13,-0.2 0.952 96.6 16.9 -68.9 -51.3 -48.4 27.0 -129.0 30 38 A H + 0 0 74 288,-0.3 287,-3.9 -16,-0.1 286,-2.1 -0.988 69.1 163.2-133.7 129.3 -49.6 25.6 -132.3 31 39 A A E -G 315 0E 33 -2,-0.4 2,-0.3 284,-0.2 284,-0.2 -0.710 22.2-145.3-129.2 179.4 -51.4 27.3 -135.2 32 40 A K E -G 314 0E 97 282,-0.6 282,-2.6 -2,-0.2 2,-0.3 -0.820 11.4-142.5-153.1 111.5 -52.1 26.6 -139.0 33 41 A D E -G 313 0E 66 -2,-0.3 280,-0.2 280,-0.2 3,-0.1 -0.590 19.7-179.4 -67.6 135.2 -52.2 29.2 -141.7 34 42 A I + 0 0 3 278,-2.3 2,-0.4 -2,-0.3 258,-0.3 0.058 55.5 80.1-126.4 20.8 -55.1 28.1 -144.0 35 43 A L - 0 0 0 277,-0.4 2,-0.3 256,-0.1 258,-0.3 -0.969 68.9-144.1-135.9 118.1 -54.8 30.8 -146.6 36 44 A E B +h 293 0F 29 256,-3.4 258,-1.1 -2,-0.4 259,-0.2 -0.599 25.0 166.3 -84.3 135.4 -52.2 30.8 -149.4 37 45 A K + 0 0 81 -2,-0.3 2,-0.5 256,-0.2 -1,-0.1 0.292 49.2 89.5-129.8 7.8 -50.6 34.0 -150.5 38 46 A T + 0 0 89 249,-0.1 249,-0.2 246,-0.0 2,-0.2 -0.924 37.3 159.2-117.0 131.1 -47.6 32.8 -152.6 39 47 A H - 0 0 78 -2,-0.5 247,-0.2 247,-0.1 245,-0.1 -0.592 44.8-117.3-119.3-169.7 -47.3 32.0 -156.2 40 48 A N - 0 0 85 245,-0.8 244,-0.1 2,-0.3 3,-0.1 0.657 37.0-126.7-102.2 -22.4 -44.1 31.9 -158.4 41 49 A G S S+ 0 0 37 1,-0.4 2,-0.3 244,-0.2 243,-0.1 0.397 72.0 117.8 87.8 -2.6 -45.0 34.6 -160.8 42 50 A K - 0 0 80 243,-0.1 2,-0.7 228,-0.1 -1,-0.4 -0.669 66.4-127.5 -89.4 151.9 -44.4 32.4 -163.8 43 51 A L B -j 272 0G 13 228,-0.6 230,-2.1 -2,-0.3 232,-0.2 -0.897 43.1-178.5-101.1 113.3 -47.2 31.5 -166.3 44 52 A b - 0 0 0 -2,-0.7 232,-0.1 1,-0.2 230,-0.1 -0.183 29.9 -89.2-107.0-176.1 -47.1 27.7 -166.6 45 53 A K - 0 0 47 5,-0.1 232,-0.5 230,-0.1 2,-0.3 -0.231 39.6-133.8 -76.8-177.1 -48.7 24.7 -168.2 46 53AA L B > S-Kl 49 277H 9 3,-1.9 3,-0.7 230,-0.2 232,-0.2 -0.868 78.3 -12.0-153.8 111.3 -51.7 23.1 -166.6 47 54 A N T 3 S- 0 0 81 230,-1.7 2,-1.1 -2,-0.3 231,-0.1 0.892 127.6 -62.7 53.6 41.0 -52.1 19.3 -166.1 48 55 A G T 3 S+ 0 0 39 229,-0.4 -1,-0.2 1,-0.2 31,-0.1 -0.208 115.2 110.8 87.7 -44.0 -49.1 19.1 -168.4 49 56 A I B < -K 46 0H 42 -2,-1.1 -3,-1.9 -3,-0.7 -1,-0.2 -0.468 65.8-129.3 -73.9 132.0 -50.8 20.7 -171.4 50 57 A P - 0 0 47 0, 0.0 29,-0.4 0, 0.0 -5,-0.1 -0.441 21.1-112.8 -82.6 153.8 -49.5 24.1 -172.4 51 58 A P - 0 0 11 0, 0.0 2,-0.8 0, 0.0 30,-0.2 -0.128 34.8 -96.7 -75.7 176.5 -51.8 27.1 -172.9 52 59 A L E -m 81 0I 16 28,-2.9 30,-2.2 23,-0.0 2,-1.0 -0.860 34.4-152.2 -97.3 105.8 -52.3 28.8 -176.3 53 60 A E E +m 82 0I 63 -2,-0.8 30,-0.1 1,-0.2 28,-0.1 -0.655 16.5 179.4 -80.4 104.8 -50.0 31.8 -176.4 54 61 A L E > - 0 0 0 28,-1.8 3,-1.1 -2,-1.0 -1,-0.2 0.785 16.1-177.1 -74.8 -26.5 -51.7 34.2 -178.8 55 62 A G E 3 -m 83 0I 21 27,-0.6 29,-0.6 1,-0.2 -1,-0.2 -0.355 69.1 -6.3 60.5-140.1 -48.9 36.9 -178.4 56 63 A D T 3 S+ 0 0 64 31,-0.1 33,-3.2 12,-0.1 2,-0.3 0.273 118.2 99.7 -71.6 15.5 -49.6 40.1 -180.3 57 64 A c B < -o 89 0J 0 -3,-1.1 27,-0.5 31,-0.2 33,-0.2 -0.781 61.5-146.0-107.7 144.9 -52.7 38.5 -181.9 58 65 A S > - 0 0 13 31,-1.8 4,-2.4 -2,-0.3 5,-0.1 -0.537 37.4 -98.6 -90.7 169.8 -56.4 38.7 -180.9 59 66 A I H > S+ 0 0 0 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.902 127.0 45.4 -59.6 -41.5 -58.8 35.9 -181.3 60 67 A A H >>S+ 0 0 3 2,-0.2 4,-3.1 1,-0.2 5,-0.6 0.888 108.8 57.7 -63.0 -40.1 -60.2 37.2 -184.6 61 68 A G H >>S+ 0 0 0 2,-0.2 5,-2.3 3,-0.2 4,-1.4 0.903 115.8 36.3 -59.3 -45.6 -56.6 37.8 -185.7 62 69 A W H <5S+ 0 0 5 -4,-2.4 -2,-0.2 3,-0.2 -3,-0.2 0.992 117.3 49.0 -61.9 -71.2 -56.1 34.1 -185.1 63 70 A L H <5S+ 0 0 2 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.2 0.806 122.4 33.9 -49.7 -41.4 -59.4 32.7 -186.2 64 71 A L H <5S- 0 0 0 -4,-3.1 83,-1.9 -5,-0.2 -1,-0.2 0.929 112.4-117.8 -75.8 -50.5 -59.4 34.6 -189.6 65 72 A G T << - 0 0 0 -4,-1.4 81,-1.5 -5,-0.6 -3,-0.2 0.824 25.8-161.7 108.9 51.4 -55.6 34.5 -190.1 66 73 A N > < - 0 0 8 -5,-2.3 3,-2.8 79,-0.2 79,-0.1 -0.475 33.3-118.9 -50.8 130.2 -54.1 37.9 -190.1 67 74 A P G > S+ 0 0 9 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.721 112.6 65.0 -56.0 -23.2 -50.7 37.2 -191.7 68 75 A E G 3 S+ 0 0 94 1,-0.3 3,-0.2 22,-0.1 -12,-0.1 0.679 99.6 54.0 -75.4 -11.6 -48.9 38.4 -188.6 69 76 A c G X + 0 0 1 -3,-2.8 3,-1.7 -8,-0.2 -1,-0.3 -0.118 66.6 128.2-108.3 35.1 -50.4 35.4 -186.8 70 77 A D G X + 0 0 65 -3,-1.1 3,-1.0 1,-0.3 4,-0.2 0.625 61.1 72.2 -67.9 -14.6 -49.2 32.8 -189.2 71 78 A R G > S+ 0 0 135 -3,-0.2 3,-0.7 1,-0.2 -1,-0.3 0.821 93.5 56.7 -63.3 -29.1 -47.7 30.9 -186.3 72 79 A L G < S+ 0 0 11 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.403 71.2 102.5 -91.4 4.6 -51.2 30.0 -185.4 73 80 A L G < S+ 0 0 60 -3,-1.0 2,-0.4 1,-0.2 -1,-0.2 0.784 94.3 29.8 -60.7 -30.6 -52.2 28.4 -188.7 74 81 A S S < S- 0 0 110 -3,-0.7 -1,-0.2 -4,-0.2 40,-0.1 -0.992 81.0-177.0-129.2 132.5 -51.8 25.0 -187.0 75 81AA V - 0 0 18 -2,-0.4 38,-0.3 38,-0.3 3,-0.1 -0.975 15.4-146.8-137.8 119.1 -52.4 24.6 -183.3 76 82 A P - 0 0 99 0, 0.0 37,-0.2 0, 0.0 -2,-0.0 -0.062 52.1 -59.5 -68.3 175.4 -52.0 21.7 -180.8 77 83 A E - 0 0 56 35,-0.1 2,-0.3 181,-0.0 35,-0.2 -0.277 54.7-160.5 -52.5 142.5 -54.3 21.2 -177.7 78 84 A W - 0 0 1 33,-2.5 3,-0.1 -3,-0.1 -29,-0.1 -0.813 21.2-153.1-118.7 165.6 -54.3 24.1 -175.2 79 85 A S S S- 0 0 2 1,-0.5 2,-0.3 -29,-0.4 -1,-0.1 0.647 83.9 -15.2-106.5 -26.2 -55.4 24.0 -171.5 80 86 A Y S S- 0 0 0 183,-0.2 -28,-2.9 -30,-0.1 -1,-0.5 -0.945 72.1-107.5-160.5 174.9 -56.3 27.7 -171.7 81 87 A I E -mn 52 265I 0 183,-2.7 185,-3.8 -2,-0.3 2,-0.8 -0.953 13.5-156.1-119.9 135.5 -55.7 30.8 -173.8 82 88 A M E +mn 53 266I 6 -30,-2.2 -28,-1.8 -2,-0.4 -27,-0.6 -0.875 22.1 172.0-110.1 98.9 -53.5 33.8 -173.1 83 89 A E E -mn 55 267I 1 183,-1.9 185,-1.3 -2,-0.8 -25,-0.1 -0.874 28.1-124.1-105.1 141.1 -54.7 36.8 -175.0 84 90 A K - 0 0 51 -29,-0.6 185,-0.2 -27,-0.5 -1,-0.1 -0.137 25.2-105.8 -74.5 177.3 -53.2 40.2 -174.4 85 91 A E S S+ 0 0 112 1,-0.2 -1,-0.1 182,-0.1 184,-0.1 0.957 109.1 4.6 -74.8 -56.9 -55.3 43.3 -173.5 86 92 A N S S- 0 0 139 -28,-0.0 -1,-0.2 -29,-0.0 -28,-0.1 -0.642 86.9-154.2-126.7 75.1 -55.2 45.2 -176.8 87 93 A P - 0 0 26 0, 0.0 -29,-0.2 0, 0.0 -31,-0.1 -0.279 10.2-138.5 -56.7 126.6 -53.4 42.8 -179.1 88 94 A R S S+ 0 0 166 1,-0.2 2,-0.9 -31,-0.1 -31,-0.2 0.898 86.4 58.0 -50.8 -53.4 -51.7 44.6 -182.0 89 95 A D B +o 57 0J 17 -33,-3.2 -31,-1.8 1,-0.1 -28,-0.2 -0.709 69.6 103.1 -97.5 102.5 -52.7 42.1 -184.8 90 95AA G S S+ 0 0 10 -2,-0.9 2,-1.8 -33,-0.2 3,-0.2 0.132 80.7 15.1-134.0-108.6 -56.4 41.5 -185.3 91 96 A L + 0 0 47 1,-0.2 4,-0.1 4,-0.1 136,-0.1 -0.576 61.1 174.8 -81.1 82.4 -58.5 43.0 -188.0 92 97 A d S S+ 0 0 8 -2,-1.8 -1,-0.2 2,-0.1 44,-0.1 0.976 80.6 49.9 -50.0 -69.0 -55.8 44.1 -190.4 93 98 A Y S S- 0 0 7 -3,-0.2 134,-0.1 1,-0.1 128,-0.1 -0.673 113.6-119.0 -61.0 120.6 -58.4 45.1 -193.0 94 99 A P + 0 0 6 0, 0.0 133,-1.8 0, 0.0 2,-0.3 -0.119 62.6 94.4 -71.4 165.5 -60.5 47.1 -190.5 95 100 A G E -p 227 0K 33 131,-0.3 2,-0.3 -4,-0.1 133,-0.2 -0.927 62.5 -60.7 158.7-132.3 -64.1 46.3 -189.7 96 101 A S E -p 228 0K 49 131,-1.7 133,-3.1 -2,-0.3 2,-0.5 -0.993 19.2-141.5-160.4 147.9 -66.1 44.4 -187.1 97 102 A F E > -p 229 0K 27 -2,-0.3 3,-1.2 131,-0.2 133,-0.2 -0.966 28.1-135.1-122.8 114.2 -66.8 41.0 -185.6 98 103 A N T 3 S- 0 0 52 131,-3.4 133,-0.3 -2,-0.5 5,-0.1 -0.433 83.0 -1.4 -74.9 139.0 -70.4 40.2 -184.9 99 104 A D T >> S+ 0 0 70 -2,-0.2 4,-1.6 131,-0.1 3,-1.1 0.829 82.2 158.0 48.8 37.5 -71.2 38.6 -181.5 100 105 A Y H <> + 0 0 34 -3,-1.2 4,-3.3 1,-0.2 3,-0.4 0.916 65.2 55.5 -55.7 -47.4 -67.5 38.5 -180.7 101 106 A E H 34 S+ 0 0 43 1,-0.3 292,-0.4 2,-0.2 4,-0.3 0.657 108.9 49.2 -64.8 -15.8 -67.9 38.3 -176.9 102 107 A E H <> S+ 0 0 8 -3,-1.1 4,-1.8 2,-0.2 -1,-0.3 0.771 111.1 47.4 -91.9 -31.8 -70.0 35.2 -177.3 103 108 A L H X S+ 0 0 0 -4,-1.6 4,-2.0 -3,-0.4 -2,-0.2 0.900 110.1 54.5 -62.2 -45.6 -67.5 33.6 -179.7 104 109 A K H < S+ 0 0 15 -4,-3.3 4,-0.2 1,-0.2 -2,-0.2 0.785 110.0 48.1 -61.2 -28.0 -64.9 34.6 -177.0 105 110 A Y H >4 S+ 0 0 31 -5,-0.3 3,-1.7 -4,-0.3 -1,-0.2 0.877 105.4 56.8 -77.4 -39.4 -67.1 32.7 -174.6 106 111 A L H >< S+ 0 0 8 -4,-1.8 3,-1.4 1,-0.3 -2,-0.2 0.844 98.2 61.4 -63.2 -32.6 -67.4 29.7 -176.8 107 112 A L G >< S+ 0 0 0 -4,-2.0 3,-1.1 1,-0.3 -1,-0.3 0.688 89.5 72.7 -67.2 -14.5 -63.7 29.2 -176.9 108 113 A S G < S+ 0 0 7 -3,-1.7 155,-1.1 1,-0.3 -1,-0.3 0.290 98.4 46.2 -86.8 13.0 -63.7 28.8 -173.2 109 114 A S G < S+ 0 0 41 -3,-1.4 152,-1.9 153,-0.2 2,-0.4 0.145 100.6 81.3-131.9 17.0 -65.3 25.3 -173.5 110 115 A V E < -Q 260 0K 0 -3,-1.1 150,-0.3 150,-0.3 154,-0.2 -0.984 45.4-178.4-130.1 127.7 -63.0 24.1 -176.3 111 116 A K E S+ 0 0 33 148,-5.0 -33,-2.5 -2,-0.4 2,-0.3 0.501 72.7 17.0-103.8 -4.6 -59.5 22.7 -175.8 112 116AA H E -Q 259 0K 25 147,-0.9 146,-2.2 -35,-0.2 147,-1.5 -0.869 53.4-156.2-170.0 134.5 -58.7 22.2 -179.5 113 116BA F E -Q 257 0K 5 -2,-0.3 2,-0.5 -38,-0.3 -38,-0.3 -0.869 7.6-157.5-103.5 145.1 -59.7 23.0 -183.1 114 116CA E E -Q 256 0K 93 142,-2.0 142,-1.9 -2,-0.4 2,-0.4 -0.961 24.0-139.0-116.5 110.1 -59.0 20.9 -186.1 115 117 A K E -Q 255 0K 59 -2,-0.5 2,-0.3 140,-0.2 140,-0.2 -0.532 20.5-163.6 -78.8 118.8 -59.1 23.3 -189.1 116 118 A V E -Q 254 0K 50 138,-3.4 138,-2.7 -2,-0.4 2,-1.8 -0.793 25.3-128.5-110.8 144.7 -60.8 21.8 -192.1 117 119 A K + 0 0 111 -2,-0.3 136,-0.2 136,-0.2 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-4,-2.6 4,-2.6 1,-0.2 3,-1.4 0.899 114.0 51.4 -63.8 -40.0 -53.6 -21.0 -5.1 1861 53 d N H 3X S+ 0 0 75 -4,-2.6 4,-0.7 1,-0.3 -1,-0.2 0.905 107.1 54.7 -58.4 -40.4 -57.2 -20.6 -6.2 1862 54 d S H 3< S+ 0 0 11 -4,-1.4 -1,-0.3 140,-0.3 -2,-0.2 0.498 110.3 47.4 -72.5 -3.3 -56.6 -16.9 -5.9 1863 55 d V H <> S+ 0 0 5 -3,-1.4 4,-0.5 -4,-0.2 3,-0.3 0.779 109.5 49.2-101.4 -42.4 -53.7 -17.2 -8.3 1864 56 d I H < S+ 0 0 61 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.1 0.494 114.7 48.1 -75.7 -1.9 -55.4 -19.4 -10.9 1865 57 d E T < S+ 0 0 106 -4,-0.7 3,-0.4 -5,-0.2 -1,-0.2 0.643 97.5 65.6-108.8 -20.8 -58.4 -17.0 -11.0 1866 58 d K T 4 S+ 0 0 53 -3,-0.3 2,-0.3 1,-0.2 -2,-0.1 0.629 104.7 44.1 -81.8 -16.5 -56.6 -13.6 -11.3 1867 59 d M S < S+ 0 0 5 -4,-0.5 -1,-0.2 1,-0.1 -79,-0.2 -0.648 81.0 112.6-126.5 76.2 -55.1 -14.2 -14.8 1868 60 d N + 0 0 96 -3,-0.4 -1,-0.1 -2,-0.3 -4,-0.0 -0.215 45.6 96.0-144.7 43.9 -58.1 -15.8 -16.6 1869 61 d T + 0 0 67 -3,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.497 25.4 100.6-114.7-120.0 -59.4 -13.5 -19.3 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-48.1 -4.7 -46.0 1880 72 d N S S+ 0 0 96 1,-0.1 3,-0.2 3,-0.0 -1,-0.1 0.267 124.4 48.6-103.1 9.6 -44.8 -3.0 -46.8 1881 73 d L S S+ 0 0 107 1,-0.1 3,-0.2 2,-0.0 2,-0.2 0.304 99.7 66.7-126.0 -0.2 -46.1 0.5 -46.5 1882 74 d E > + 0 0 45 1,-0.1 4,-1.9 2,-0.1 -1,-0.1 -0.499 62.3 130.4-109.7 62.5 -47.8 -0.1 -43.2 1883 75 d R H > + 0 0 100 2,-0.2 4,-2.2 -2,-0.2 -1,-0.1 0.844 69.5 49.9 -84.2 -37.2 -44.5 -0.6 -41.4 1884 76 d R H > S+ 0 0 9 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.869 111.5 51.2 -69.0 -38.9 -45.2 1.7 -38.5 1885 77 d L H >> S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 3,-0.7 0.987 107.7 51.5 -55.7 -59.6 -48.5 0.0 -38.0 1886 78 d E H 3X S+ 0 0 80 -4,-1.9 4,-2.3 1,-0.3 -2,-0.2 0.878 111.7 47.9 -43.7 -50.2 -46.8 -3.4 -38.0 1887 79 d N H 3X S+ 0 0 28 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.837 108.2 54.7 -57.8 -39.2 -44.4 -2.1 -35.3 1888 80 d L H X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.2 3,-0.6 0.981 108.1 42.8 -68.6 -62.7 -44.0 -18.1 -2.1 1913 105 d E H 3X S+ 0 0 15 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.872 115.8 51.8 -45.4 -41.7 -42.1 -16.2 0.6 1914 106 d R H 3X S+ 0 0 31 -4,-2.7 4,-1.1 -5,-0.2 -1,-0.2 0.852 107.6 52.0 -70.0 -32.4 -45.5 -15.5 2.2 1915 107 d T H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 3,-1.0 0.982 114.0 51.7 -54.9 -59.7 -45.7 -23.7 14.0 1924 116 d K H 3X S+ 0 0 26 -4,-2.5 4,-2.4 1,-0.3 -1,-0.2 0.836 111.1 47.8 -40.5 -46.4 -44.7 -20.8 16.3 1925 117 d N H 3X S+ 0 0 41 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.3 0.790 110.1 53.0 -72.4 -28.5 -48.3 -20.1 17.3 1926 118 d L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 3,-1.2 0.932 116.8 51.4 -50.8 -52.6 -49.2 -25.3 24.0 1931 123 d R H 3X S+ 0 0 57 -4,-3.6 4,-2.1 1,-0.3 -1,-0.2 0.916 108.5 48.0 -53.9 -51.1 -46.6 -23.3 26.0 1932 124 d M H 3< S+ 0 0 38 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.546 114.2 52.2 -72.3 -3.7 -49.0 -20.6 27.4 1933 125 d Q H << S+ 0 0 47 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.904 111.7 39.4 -90.1 -59.1 -51.3 -23.5 28.4 1934 126 d L H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.778 85.3 170.3 -59.7 -34.4 -48.8 -25.8 30.3 1935 127 d R G >< - 0 0 89 -4,-2.1 3,-0.6 -5,-0.3 -1,-0.2 -0.296 64.5 -13.5 57.6-128.3 -47.1 -22.8 32.0 1936 128 d D G 3 S+ 0 0 67 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.149 112.0 91.2 -97.0 17.7 -44.7 -23.7 34.8 1937 129 d N G < S+ 0 0 0 -3,-1.5 12,-2.0 12,-0.0 13,-0.5 0.456 96.9 32.5 -82.7 -4.3 -45.8 -27.3 35.2 1938 130 d V E < S-N 1948 0y 12 -3,-0.6 2,-0.5 10,-0.2 10,-0.2 -0.811 85.7-104.8-142.9-179.0 -43.1 -28.1 32.7 1939 131 d K E -N 1947 0y 43 8,-1.7 8,-2.1 -2,-0.2 2,-1.4 -0.960 21.1-136.3-121.1 122.2 -39.7 -27.1 31.5 1940 132 d E E -N 1946 0y 48 -2,-0.5 6,-0.2 6,-0.2 -4,-0.0 -0.612 19.6-169.4 -76.8 93.4 -39.1 -25.2 28.3 1941 133 d L - 0 0 42 -2,-1.4 -1,-0.2 4,-1.4 5,-0.1 0.724 34.7-121.9 -58.9 -23.3 -36.1 -27.1 26.9 1942 134 d G S S+ 0 0 19 3,-0.5 -1,-0.1 -3,-0.1 4,-0.1 0.481 97.9 84.9 93.7 5.6 -35.4 -24.5 24.1 1943 135 d N S S- 0 0 70 2,-0.4 -124,-0.2 -125,-0.1 3,-0.1 0.357 116.0 -93.3-117.8 -2.6 -35.8 -27.1 21.4 1944 136 d G S S+ 0 0 0 1,-0.5 -454,-1.8 -126,-0.1 2,-0.3 0.480 95.9 109.4 97.1 3.5 -39.6 -26.9 21.1 1945 137 d r 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