==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHROMOSOME SEGREGATION 09-AUG-00 1E69 . COMPND 2 MOLECULE: CHROMOSOME SEGREGATION SMC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR J.LOWE,S.C.CORDELL,F.VAN DEN ENT . 1578 24 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 70662.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1124 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 118 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 295 18.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 27 1.7 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 . 133 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 189 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 360 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.1 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 0 0 0 6 9 1 2 0 0 1 6 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 10 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 PARALLEL BRIDGES PER LADDER . 22 3 13 6 9 0 5 0 6 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 . 3 12 0 3 9 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 M 0 0 64 0, 0.0 2,-0.3 0, 0.0 76,-0.2 0.000 360.0 360.0 360.0 134.0 17.8 36.0 12.7 2 2 A R E -A 76 0A 104 74,-1.6 74,-1.5 75,-0.1 2,-0.5 -0.911 360.0-117.0-129.2 155.0 14.6 34.2 12.2 3 3 A L E +A 75 0A 0 -2,-0.3 72,-0.2 72,-0.2 3,-0.1 -0.774 38.4 170.6 -84.4 126.5 13.4 30.9 10.6 4 4 A K E + 0 0 50 70,-2.7 18,-1.5 -2,-0.5 2,-0.3 0.784 52.3 14.1-110.0 -37.2 11.1 32.0 7.8 5 5 A K E -AB 74 21A 99 69,-1.3 69,-2.0 16,-0.2 2,-0.4 -1.000 48.2-161.8-147.0 145.1 10.3 28.9 5.7 6 6 A L E -AB 73 20A 1 14,-2.0 14,-2.5 -2,-0.3 2,-0.5 -0.976 12.6-166.2-121.2 134.0 10.4 25.1 5.8 7 7 A Y E -AB 72 19A 64 65,-2.0 65,-1.6 -2,-0.4 2,-0.3 -0.964 5.8-175.6-127.5 118.7 10.1 23.0 2.6 8 8 A L E +AB 71 18A 2 10,-1.9 10,-2.1 -2,-0.5 63,-0.2 -0.774 13.1 158.0-110.0 155.3 9.5 19.3 2.6 9 9 A K E S-A 70 0A 85 61,-0.7 61,-1.1 -2,-0.3 6,-0.2 -0.432 76.1 -6.0-177.1 92.9 9.4 16.8 -0.3 10 10 A G S S+ 0 0 1 4,-2.2 47,-1.8 1,-0.3 2,-0.7 0.630 89.7 136.3 92.0 15.1 9.9 13.1 0.1 11 11 A F B > S-FG 14 56B 1 3,-0.8 3,-2.3 59,-0.2 -1,-0.3 -0.875 74.4 -62.9-102.7 116.1 10.9 13.3 3.7 12 12 A K T 3 S- 0 0 59 43,-1.5 46,-0.1 -2,-0.7 -2,-0.1 -0.153 122.8 -0.8 46.8-134.4 9.3 10.6 5.9 13 13 A S T 3 S+ 0 0 17 1,-0.1 246,-1.6 44,-0.1 2,-1.3 0.539 113.2 92.7 -63.1 -5.3 5.5 11.0 6.0 14 14 A F B < +F 11 0B 4 -3,-2.3 -4,-2.2 244,-0.2 -3,-0.8 -0.664 41.4 157.6 -93.8 87.4 5.5 14.0 3.7 15 15 A G + 0 0 7 -2,-1.3 -1,-0.2 -5,-0.2 243,-0.1 0.858 59.1 58.8 -77.8 -35.8 5.1 12.5 0.2 16 16 A R S S- 0 0 111 243,-0.4 -6,-0.2 -3,-0.2 243,-0.1 -0.730 104.7 -85.6 -97.7 149.0 3.8 15.6 -1.5 17 17 A P - 0 0 72 0, 0.0 2,-0.3 0, 0.0 -8,-0.2 -0.286 52.0-168.3 -51.6 115.3 5.7 19.0 -1.6 18 18 A S E -B 8 0A 13 -10,-2.1 -10,-1.9 -4,-0.1 2,-0.4 -0.858 12.8-168.3-114.9 148.7 5.0 20.9 1.5 19 19 A L E -B 7 0A 98 -2,-0.3 2,-0.3 242,-0.2 -12,-0.2 -0.927 5.9-174.2-139.4 113.8 5.7 24.6 2.4 20 20 A I E -B 6 0A 2 -14,-2.5 -14,-2.0 -2,-0.4 2,-0.3 -0.827 8.0-156.2-108.4 143.2 5.4 26.1 5.8 21 21 A G E -B 5 0A 15 -2,-0.3 2,-0.4 -16,-0.2 -16,-0.2 -0.805 11.8-143.6-111.4 158.4 5.8 29.7 6.9 22 22 A F - 0 0 9 -18,-1.5 2,-0.1 -2,-0.3 5,-0.1 -0.964 10.1-125.0-128.0 142.3 6.7 30.9 10.4 23 23 A S - 0 0 21 -2,-0.4 -20,-0.2 210,-0.1 4,-0.1 -0.385 25.9-120.6 -75.3 156.6 5.6 33.9 12.5 24 24 A D S S+ 0 0 66 2,-0.1 -1,-0.1 -2,-0.1 3,-0.1 0.668 105.4 21.9 -70.6 -14.0 8.3 36.2 13.9 25 25 A R S S- 0 0 94 1,-0.2 208,-1.4 207,-0.2 2,-0.5 0.310 125.2 -1.8-115.4-116.5 6.8 35.2 17.2 26 26 A V E -h 233 0C 2 219,-0.3 221,-2.7 206,-0.2 222,-0.9 -0.726 55.1-178.3 -88.9 125.4 4.8 32.2 18.2 27 27 A T E -hi 234 248C 0 206,-2.7 208,-2.7 -2,-0.5 2,-0.5 -0.992 13.3-153.4-121.9 128.5 3.9 29.6 15.5 28 28 A A E -hi 235 249C 2 220,-2.6 222,-2.7 -2,-0.5 2,-0.7 -0.913 7.8-159.3-112.6 128.7 1.8 26.7 16.6 29 29 A I E + i 0 250C 0 206,-2.1 208,-0.5 -2,-0.5 2,-0.3 -0.888 24.1 175.1-104.2 108.2 1.8 23.3 14.9 30 30 A V E + i 0 251C 24 220,-3.1 222,-2.2 -2,-0.7 208,-0.1 -0.763 11.0 119.8-114.3 158.1 -1.4 21.4 15.7 31 31 A G - 0 0 18 -2,-0.3 222,-0.1 206,-0.2 6,-0.1 -0.814 53.1 -67.5 160.3 159.4 -2.9 18.1 14.6 32 32 A P >> - 0 0 84 0, 0.0 4,-1.6 0, 0.0 3,-0.7 0.078 50.6-102.9 -57.0 174.1 -4.2 14.6 15.5 33 33 A N T 34 S+ 0 0 150 1,-0.2 220,-0.0 2,-0.2 0, 0.0 0.642 107.6 88.0 -76.4 -16.6 -2.1 11.8 16.7 34 34 A G T 34 S+ 0 0 62 1,-0.2 -1,-0.2 3,-0.0 219,-0.1 0.907 109.0 19.7 -48.9 -45.4 -2.3 10.3 13.2 35 35 A S T <4 S- 0 0 20 -3,-0.7 3,-0.4 217,-0.2 4,-0.4 0.801 79.7-159.3 -94.8 -29.3 0.8 12.4 12.5 36 36 A G < - 0 0 23 -4,-1.6 2,-2.4 1,-0.2 3,-0.3 0.953 41.3-131.6 38.3 63.3 1.9 12.9 16.1 37 37 A K S > S+ 0 0 14 -5,-0.5 3,-1.7 1,-0.2 4,-0.4 0.013 73.3 126.8 -44.3 23.0 3.5 15.7 13.7 38 38 A S T >> + 0 0 47 -2,-2.4 4,-2.4 -3,-0.4 3,-0.7 0.711 51.2 86.2 -56.5 -22.6 7.0 15.3 15.0 39 39 A N H 3> S+ 0 0 24 -4,-0.4 4,-1.7 -3,-0.3 -1,-0.3 0.753 82.3 57.3 -57.9 -23.9 8.1 14.8 11.5 40 40 A I H <> S+ 0 0 1 -3,-1.7 4,-1.4 2,-0.2 -1,-0.3 0.900 108.7 44.2 -73.4 -42.0 8.4 18.5 11.0 41 41 A I H <> S+ 0 0 8 -3,-0.7 4,-2.0 -4,-0.4 5,-0.2 0.918 111.0 56.3 -67.0 -41.6 10.9 18.9 13.9 42 42 A D H X S+ 0 0 49 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.902 103.8 53.9 -55.1 -43.2 12.8 15.8 12.6 43 43 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.893 105.6 53.4 -58.6 -42.3 13.2 17.5 9.2 44 44 A I H < S+ 0 0 1 -4,-1.4 4,-0.5 2,-0.2 -1,-0.2 0.922 113.1 42.2 -59.4 -46.9 14.8 20.5 10.9 45 45 A K H >< S+ 0 0 61 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.901 112.4 55.8 -67.7 -39.6 17.4 18.3 12.7 46 46 A W H 3< S+ 0 0 13 -4,-2.8 -2,-0.2 4,-0.4 -1,-0.2 0.896 99.4 58.2 -59.0 -44.3 17.9 16.2 9.6 47 47 A V T 3< S+ 0 0 0 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.686 119.4 32.6 -63.5 -16.8 18.8 19.2 7.4 48 48 A F S < S- 0 0 0 -3,-1.1 -3,-0.1 -4,-0.5 69,-0.1 0.249 130.0 -47.9-105.8-125.5 21.6 19.9 9.9 49 49 A G 0 0 19 1,-0.2 70,-0.1 -2,-0.0 -4,-0.1 0.984 360.0 360.0 -75.8 -78.6 23.4 17.1 11.7 50 50 A E 0 0 133 69,-0.2 -4,-0.4 68,-0.2 -1,-0.2 0.449 360.0 360.0 -36.9 360.0 20.9 14.6 13.2 51 ! 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 52 61 A K 0 0 164 0, 0.0 3,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.9 18.9 3.2 6.0 53 62 A F > + 0 0 58 1,-0.2 3,-2.8 2,-0.1 35,-0.0 0.299 360.0 113.0 -72.8 9.2 16.7 4.9 3.4 54 63 A D T 3 + 0 0 129 1,-0.3 -1,-0.2 4,-0.0 4,-0.1 0.351 65.8 71.6 -66.1 12.0 13.7 4.7 5.8 55 64 A M T 3 S+ 0 0 59 -3,-0.3 -43,-1.5 2,-0.1 2,-0.4 0.443 85.7 79.9-104.5 -3.6 14.1 8.5 5.7 56 65 A I B < S-G 11 0B 6 -3,-2.8 -45,-0.2 -45,-0.2 13,-0.1 -0.902 97.5 -89.8-111.4 132.8 12.7 8.7 2.1 57 66 A F - 0 0 12 -47,-1.8 9,-2.2 -2,-0.4 3,-0.1 -0.058 32.8-154.6 -42.3 124.4 9.0 8.5 1.2 58 67 A A - 0 0 80 1,-0.2 2,-0.2 7,-0.2 -1,-0.1 0.655 45.8 -84.3 -79.3 -23.6 7.9 4.9 0.6 59 68 A G - 0 0 28 5,-0.3 -1,-0.2 198,-0.1 2,-0.2 -0.464 36.5-131.5 129.2 158.0 4.9 5.3 -1.8 60 69 A S B > -M 63 0D 25 3,-3.6 3,-0.5 -2,-0.2 0, 0.0 -0.651 43.3 -83.4-130.6-177.1 1.2 6.0 -1.7 61 70 A E T 3 S+ 0 0 123 1,-0.2 0, 0.0 -2,-0.2 0, 0.0 0.639 133.0 7.2 -64.9 -15.1 -2.1 4.6 -3.1 62 71 A N T 3 S+ 0 0 103 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 -0.013 116.5 81.3-161.7 36.7 -1.1 6.8 -6.1 63 72 A L B < S-M 60 0D 37 -3,-0.5 -3,-3.6 -47,-0.0 -1,-0.1 -0.942 70.7-132.6-147.2 122.3 2.4 8.2 -5.6 64 73 A P - 0 0 102 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.266 45.1 -76.5 -71.5 163.0 5.5 6.1 -6.3 65 74 A P - 0 0 77 0, 0.0 -7,-0.2 0, 0.0 2,-0.2 -0.290 61.7-102.6 -57.6 151.4 8.2 5.9 -3.7 66 75 A A - 0 0 19 -9,-2.2 3,-0.1 1,-0.1 -10,-0.0 -0.472 12.2-135.7 -77.9 147.7 10.2 9.1 -3.9 67 76 A G S S- 0 0 56 1,-0.2 23,-2.6 -2,-0.2 24,-0.3 0.709 83.4 -10.8 -73.2 -15.9 13.6 9.2 -5.6 68 77 A S E - C 0 89A 23 21,-0.3 2,-0.4 22,-0.1 21,-0.2 -0.986 65.0-105.6-171.2 166.9 14.9 11.2 -2.6 69 78 A A E - C 0 88A 0 19,-2.2 19,-1.6 -2,-0.3 2,-0.4 -0.889 36.4-174.2-103.7 133.5 14.3 13.1 0.6 70 79 A Y E +AC 9 87A 57 -61,-1.1 -61,-0.7 -2,-0.4 2,-0.4 -0.971 7.2 173.5-136.7 122.1 14.6 16.9 0.2 71 80 A V E -AC 8 86A 0 15,-1.9 15,-2.2 -2,-0.4 2,-0.3 -0.971 4.7-176.5-127.3 141.9 14.4 19.5 3.1 72 81 A E E -AC 7 85A 53 -65,-1.6 -65,-2.0 -2,-0.4 2,-0.3 -0.974 8.1-166.0-146.2 129.5 15.1 23.2 3.0 73 82 A L E -AC 6 84A 0 11,-3.2 11,-2.3 -2,-0.3 2,-0.5 -0.860 5.3-159.9-111.3 144.6 15.2 26.0 5.5 74 83 A V E +AC 5 83A 14 -69,-2.0 -70,-2.7 -2,-0.3 -69,-1.3 -0.941 13.5 178.2-128.9 109.8 15.2 29.8 4.8 75 84 A F E -AC 3 82A 0 7,-3.0 7,-2.3 -2,-0.5 2,-0.4 -0.572 17.8-142.1-100.5 168.0 16.4 32.1 7.5 76 85 A E E +AC 2 81A 45 -74,-1.5 -74,-1.6 5,-0.3 5,-0.3 -0.988 18.3 175.9-137.2 124.7 16.7 35.9 7.3 77 86 A E S S- 0 0 65 3,-1.2 2,-1.1 -2,-0.4 -1,-0.1 0.743 74.8 -12.4 -88.7-106.1 19.5 38.0 8.8 78 87 A N S S- 0 0 140 1,-0.1 -1,-0.1 -77,-0.1 3,-0.1 -0.710 129.8 -49.5-101.5 78.8 19.6 41.7 8.2 79 88 A G S S+ 0 0 70 -2,-1.1 2,-0.2 1,-0.3 -1,-0.1 0.636 121.6 121.7 64.8 9.3 17.0 41.8 5.5 80 89 A E - 0 0 121 2,-0.0 -3,-1.2 0, 0.0 2,-0.5 -0.661 59.5-134.7-102.2 158.9 19.2 39.0 4.1 81 90 A E E -C 76 0A 130 -5,-0.3 2,-0.5 -2,-0.2 -5,-0.3 -0.966 12.8-169.0-120.2 129.0 18.2 35.4 3.3 82 91 A I E -C 75 0A 11 -7,-2.3 -7,-3.0 -2,-0.5 2,-0.5 -0.973 10.8-162.8-114.2 123.1 20.3 32.4 4.3 83 92 A T E -C 74 0A 28 -2,-0.5 16,-2.6 -9,-0.2 2,-0.4 -0.941 8.3-177.0-114.7 125.1 19.1 29.1 2.7 84 93 A V E +CD 73 98A 0 -11,-2.3 -11,-3.2 -2,-0.5 2,-0.3 -0.963 12.1 166.6-117.9 133.9 20.2 25.7 4.0 85 94 A A E -CD 72 97A 3 12,-1.8 12,-2.6 -2,-0.4 2,-0.3 -0.989 18.3-164.6-147.5 155.5 19.2 22.5 2.3 86 95 A R E -CD 71 96A 30 -15,-2.2 -15,-1.9 -2,-0.3 2,-0.4 -0.997 2.9-169.1-143.3 136.3 19.9 18.8 2.2 87 96 A E E -CD 70 95A 35 8,-2.7 8,-1.1 -2,-0.3 2,-0.6 -0.936 3.3-172.9-132.9 115.7 19.1 16.0 -0.3 88 97 A L E -CD 69 94A 7 -19,-1.6 -19,-2.2 -2,-0.4 6,-0.2 -0.911 16.9-156.0-105.4 113.6 19.6 12.3 0.2 89 98 A K E > -C 68 0A 68 4,-1.9 3,-1.2 -2,-0.6 -21,-0.3 -0.499 26.2-120.7 -87.4 157.1 18.9 10.2 -3.0 90 99 A R T 3 S+ 0 0 83 -23,-2.6 -22,-0.1 1,-0.3 -1,-0.1 0.811 113.3 67.8 -64.3 -28.5 17.9 6.6 -3.1 91 100 A T T 3 S- 0 0 114 -24,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.804 123.0-106.3 -60.5 -27.9 21.1 6.0 -5.1 92 101 A G S < S+ 0 0 29 -3,-1.2 2,-0.8 1,-0.2 -2,-0.1 0.126 75.6 138.3 122.0 -17.3 23.0 6.8 -1.9 93 102 A E - 0 0 98 -5,-0.1 -4,-1.9 2,-0.0 2,-0.3 -0.477 30.3-173.8 -66.8 101.6 24.2 10.3 -2.9 94 103 A N E +D 88 0A 62 -2,-0.8 2,-0.3 -6,-0.2 -6,-0.2 -0.773 8.1 172.6 -97.4 141.6 23.8 12.6 0.1 95 104 A T E -D 87 0A 23 -8,-1.1 -8,-2.7 -2,-0.3 2,-0.3 -0.981 21.1-149.0-156.7 139.7 24.5 16.4 -0.3 96 105 A Y E -DE 86 103A 24 7,-0.6 7,-2.2 -2,-0.3 2,-0.3 -0.729 13.7-161.1-105.3 155.4 24.2 19.7 1.6 97 106 A Y E -DE 85 102A 62 -12,-2.6 -12,-1.8 -2,-0.3 2,-0.4 -0.973 12.5-170.4-137.7 150.3 23.6 23.2 0.2 98 107 A L E > S-DE 84 101A 35 3,-1.7 3,-1.3 -2,-0.3 -14,-0.2 -0.920 82.1 -21.4-142.6 109.5 24.1 26.8 1.4 99 108 A N T 3 S- 0 0 82 -16,-2.6 -15,-0.1 -2,-0.4 -18,-0.0 0.861 129.2 -46.8 56.3 42.3 22.6 29.5 -0.7 100 109 A G T 3 S+ 0 0 65 -17,-0.2 -1,-0.3 1,-0.2 -16,-0.1 0.396 115.6 110.1 86.5 -2.4 22.5 27.4 -3.8 101 110 A S E < S-E 98 0A 68 -3,-1.3 -3,-1.7 0, 0.0 -1,-0.2 -0.915 72.2-118.1-113.9 128.2 26.0 26.0 -3.6 102 111 A P E +E 97 0A 100 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.298 49.1 170.9 -55.6 141.0 26.9 22.4 -2.7 103 112 A V E -E 96 0A 40 -7,-2.2 -7,-0.6 3,-0.0 2,-0.1 -0.990 36.9 -91.2-155.6 161.0 28.9 22.5 0.5 104 113 A R >> - 0 0 171 -2,-0.3 4,-0.9 1,-0.1 3,-0.7 -0.370 37.3-120.2 -69.5 148.8 30.4 20.5 3.3 105 114 A L H >> S+ 0 0 37 1,-0.3 4,-2.0 2,-0.2 3,-1.2 0.915 113.7 61.7 -58.4 -42.3 28.2 19.8 6.4 106 115 A K H 3> S+ 0 0 106 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.863 97.5 58.7 -51.4 -38.6 30.9 21.6 8.5 107 116 A D H <> S+ 0 0 72 -3,-0.7 4,-1.9 2,-0.2 -1,-0.3 0.837 104.7 49.6 -60.8 -35.3 30.2 24.7 6.5 108 117 A I H < S+ 0 0 87 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.897 110.4 51.3 -53.8 -46.3 27.4 24.2 11.2 110 119 A D H >< S+ 0 0 88 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.928 102.6 58.3 -59.2 -47.5 29.9 27.1 11.0 111 120 A R H 3< S+ 0 0 94 -4,-1.9 2,-0.3 1,-0.3 -1,-0.2 0.716 109.4 48.0 -57.1 -21.3 27.4 29.5 9.5 112 121 A F T X< S+ 0 0 5 -4,-0.9 3,-0.6 -3,-0.9 -1,-0.3 -0.585 75.4 153.3-120.8 68.5 25.2 28.9 12.5 113 122 A A T < + 0 0 84 -3,-0.6 2,-2.5 -2,-0.3 -1,-0.1 0.992 63.7 39.4 -59.9 -81.5 27.6 29.3 15.4 114 123 A G T 3 S+ 0 0 54 2,-0.0 2,-0.3 86,-0.0 -1,-0.2 -0.237 102.3 86.9 -74.6 55.1 25.9 30.5 18.6 115 124 A T S < S- 0 0 12 -2,-2.5 4,-0.3 -3,-0.6 85,-0.2 -0.966 84.5-119.6-146.2 153.9 22.9 28.2 18.1 116 125 A G S > >S+ 0 0 0 -2,-0.3 5,-1.9 83,-0.2 3,-0.8 0.791 76.8 121.4 -67.6 -23.1 22.2 24.7 19.0 117 126 A L T 3 5S+ 0 0 2 1,-0.2 2,-0.6 3,-0.1 -2,-0.2 -0.091 78.8 6.7 -44.7 123.9 21.7 24.0 15.3 118 127 A G T 3 5S+ 0 0 2 1,-0.2 -1,-0.2 -73,-0.1 -68,-0.2 -0.361 128.6 47.6 99.7 -53.8 24.1 21.3 14.1 119 128 A V T < 5S- 0 0 88 -3,-0.8 -1,-0.2 -2,-0.6 -69,-0.2 0.843 127.3 -19.2 -86.0 -99.3 25.7 20.2 17.4 120 129 A D T 5S- 0 0 108 -3,-0.1 -3,-0.1 -4,-0.0 -4,-0.1 0.600 74.3-136.2 -92.5 -13.8 23.6 19.4 20.5 121 130 A F < + 0 0 13 -5,-1.9 3,-0.5 -6,-0.1 -4,-0.1 0.980 35.8 167.0 57.1 66.1 20.3 21.2 19.5 122 131 A Y + 0 0 41 1,-0.2 -1,-0.1 3,-0.1 78,-0.0 0.572 69.9 73.1 -84.9 -6.0 19.4 22.9 22.8 123 132 A S S S+ 0 0 0 1,-0.1 81,-3.0 80,-0.1 2,-0.8 0.762 84.5 70.9 -75.5 -28.2 16.9 24.9 20.8 124 133 A I E S+j 204 0C 17 -3,-0.5 2,-0.4 79,-0.2 81,-0.1 -0.833 72.1 178.6 -93.6 108.8 14.6 21.8 20.5 125 134 A V E -j 205 0C 11 79,-2.7 81,-2.4 -2,-0.8 2,-0.2 -0.934 7.8-179.6-119.7 133.1 13.2 21.2 24.0 126 135 A G E > -j 206 0C 11 -2,-0.4 4,-1.6 79,-0.2 81,-0.1 -0.677 50.2 -85.4-120.6 176.8 10.7 18.5 25.1 127 136 A Q H > S+ 0 0 52 79,-0.8 4,-1.6 -2,-0.2 5,-0.1 0.785 124.9 60.0 -50.1 -30.7 9.0 17.5 28.3 128 137 A G H >> S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.991 102.7 45.4 -62.9 -63.8 12.2 15.5 29.1 129 138 A Q H 3> S+ 0 0 66 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.785 107.8 61.0 -51.9 -31.9 14.7 18.3 29.0 130 139 A I H >X S+ 0 0 7 -4,-1.6 4,-1.3 1,-0.2 3,-0.6 0.958 109.7 40.8 -60.6 -48.8 12.4 20.3 31.2 131 140 A D H 0 0 182 0, 0.0 4,-2.8 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -55.2 24.8 33.9 35.5 139 1024 A Q H > + 0 0 129 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.868 360.0 57.7 -58.7 -34.1 23.5 37.0 37.3 140 1025 A R H > S+ 0 0 134 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.872 110.7 43.0 -62.2 -38.5 21.7 37.7 34.0 141 1026 A V H > S+ 0 0 9 -3,-0.4 4,-3.0 2,-0.2 3,-0.4 0.967 113.8 47.0 -72.1 -55.9 20.0 34.3 34.4 142 1027 A N H X S+ 0 0 50 -4,-2.8 4,-1.1 1,-0.3 -2,-0.2 0.852 114.9 50.8 -54.1 -35.0 19.2 34.4 38.1 143 1028 A E H X S+ 0 0 94 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.3 0.847 111.2 45.7 -72.7 -37.0 17.9 37.9 37.5 144 1029 A S H X S+ 0 0 11 -4,-1.4 4,-2.2 -3,-0.4 5,-0.2 0.881 105.5 60.4 -73.9 -40.3 15.7 36.8 34.5 145 1030 A F H X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.872 105.9 50.1 -54.2 -38.2 14.3 33.8 36.4 146 1031 A N H X S+ 0 0 34 -4,-1.1 4,-2.2 -5,-0.2 3,-0.2 0.959 106.8 51.8 -66.0 -52.2 13.0 36.3 39.0 147 1032 A R H X S+ 0 0 109 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.892 111.6 48.4 -51.7 -43.8 11.3 38.5 36.5 148 1033 A F H X S+ 0 0 5 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.846 108.0 52.7 -66.9 -38.0 9.5 35.5 34.9 149 1034 A I H X S+ 0 0 0 -4,-1.7 4,-2.1 -3,-0.2 7,-0.3 0.870 110.4 48.9 -67.2 -36.5 8.3 34.1 38.3 150 1035 A S H X>S+ 0 0 5 -4,-2.2 5,-1.5 2,-0.2 4,-1.5 0.923 110.5 50.6 -66.1 -45.6 6.8 37.5 39.1 151 1036 A L H <5S+ 0 0 25 -4,-2.1 3,-0.3 -5,-0.2 -2,-0.2 0.914 110.5 51.5 -57.4 -43.9 5.1 37.7 35.7 152 1037 A L H <5S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.907 123.7 25.0 -61.6 -46.1 3.7 34.2 36.4 153 1038 A F H <5S- 0 0 10 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.310 106.8-113.8-105.6 9.5 2.2 34.9 39.8 154 1039 A F T <5S+ 0 0 88 -4,-1.5 213,-0.3 -3,-0.3 -3,-0.2 0.883 93.4 2.7 63.2 41.9 1.6 38.7 39.5 155 1040 A G S - 0 0 42 -2,-0.7 3,-1.1 4,-0.5 -13,-0.1 -0.348 32.1 -95.9 -70.5 155.0 4.1 34.1 46.0 168 1066 A P T 3 S+ 0 0 15 0, 0.0 -13,-0.1 0, 0.0 -14,-0.1 0.883 116.0 24.4 -36.7 -87.1 2.8 37.7 46.5 169 1067 A G T 3 S+ 0 0 9 171,-0.0 104,-0.1 2,-0.0 2,-0.1 0.483 119.1 81.3 -67.4 6.7 0.9 37.9 49.8 170 1068 A R S < S- 0 0 119 -3,-1.1 2,-0.2 1,-0.1 3,-0.1 -0.266 76.7-105.6-105.6-170.2 3.0 34.9 51.0 171 1069 A R - 0 0 119 1,-0.2 -4,-0.5 -2,-0.1 -1,-0.1 -0.666 53.8 -65.8-110.4 165.5 6.3 33.9 52.5 172 1070 A D - 0 0 58 -2,-0.2 2,-0.3 -6,-0.2 -1,-0.2 0.026 55.6-172.8 -48.3 158.9 9.3 32.1 50.9 173 1071 A Q - 0 0 52 -3,-0.1 -8,-2.0 3,-0.0 2,-0.4 -0.995 24.3-118.4-158.2 150.5 8.9 28.5 49.8 174 1072 A K B > -O 164 0E 100 -2,-0.3 3,-1.3 -10,-0.2 -10,-0.2 -0.791 25.9-126.3 -95.8 133.9 10.8 25.5 48.4 175 1073 A L G > S+ 0 0 22 -12,-2.0 3,-1.6 -2,-0.4 -1,-0.1 0.808 104.1 75.0 -42.8 -35.7 10.0 24.2 45.0 176 1074 A S G 3 S+ 0 0 92 1,-0.3 -1,-0.3 -13,-0.3 2,-0.2 0.889 97.2 39.8 -44.3 -58.6 9.6 20.8 46.7 177 1075 A L G < S+ 0 0 101 -3,-1.3 -1,-0.3 3,-0.0 2,-0.2 -0.095 94.3 113.7 -91.8 38.8 6.2 21.5 48.4 178 1076 A L S < S- 0 0 14 -3,-1.6 5,-0.1 1,-0.2 -3,-0.0 -0.663 77.1 -81.9-103.7 161.4 4.8 23.4 45.4 179 1077 A S > - 0 0 59 -2,-0.2 4,-1.8 1,-0.1 -1,-0.2 -0.037 35.7-120.4 -54.3 163.9 1.8 22.2 43.2 180 1078 A G H > S+ 0 0 51 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.949 114.6 40.2 -74.4 -48.5 2.5 19.7 40.4 181 1079 A G H > S+ 0 0 9 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.768 114.7 55.3 -69.4 -26.1 1.3 21.9 37.6 182 1080 A E H > S+ 0 0 29 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.903 101.9 55.1 -73.3 -41.3 3.0 24.8 39.3 183 1081 A K H X S+ 0 0 90 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.887 105.7 54.7 -56.7 -38.6 6.3 23.1 39.4 184 1082 A A H X S+ 0 0 18 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.920 106.3 51.6 -59.8 -46.1 5.9 22.7 35.6 185 1083 A L H X S+ 0 0 1 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.960 110.3 45.9 -56.7 -56.5 5.4 26.4 35.3 186 1084 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.832 109.1 57.9 -59.9 -29.4 8.6 27.3 37.2 187 1085 A G H X S+ 0 0 2 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.957 107.7 45.9 -64.1 -47.7 10.4 24.7 35.2 188 1086 A L H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.861 109.2 56.8 -60.3 -36.8 9.4 26.5 32.0 189 1087 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.882 106.6 49.4 -62.7 -37.8 10.4 29.7 33.6 190 1088 A L H X S+ 0 0 14 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.939 108.6 51.8 -67.2 -47.1 13.9 28.3 34.2 191 1089 A L H X S+ 0 0 16 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.925 110.4 49.0 -55.3 -46.7 14.3 27.2 30.6 192 1090 A F H < S+ 0 0 2 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.856 111.4 50.2 -62.1 -35.7 13.3 30.7 29.4 193 1091 A A H >< S+ 0 0 0 -4,-1.7 3,-1.6 1,-0.2 -2,-0.2 0.920 104.5 56.6 -69.0 -43.9 15.8 32.2 31.8 194 1092 A L H >X S+ 0 0 32 -4,-2.7 3,-2.1 1,-0.3 4,-0.6 0.637 83.8 84.0 -62.6 -15.6 18.7 29.9 30.7 195 1093 A M T 3< S+ 0 0 17 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.1 0.557 74.3 77.7 -64.6 -4.5 18.1 31.2 27.1 196 1094 A E T <4 S+ 0 0 61 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.758 108.4 24.4 -75.8 -25.6 20.4 34.0 28.3 197 1095 A I T <4 S+ 0 0 103 -3,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.255 121.0 61.2-119.8 5.3 23.4 31.8 27.9 198 1096 A K S < S- 0 0 67 -4,-0.6 -1,-0.1 2,-0.1 -82,-0.1 -0.509 76.5-178.5-128.4 60.0 21.8 29.5 25.3 199 1097 A P + 0 0 69 0, 0.0 -83,-0.2 0, 0.0 3,-0.1 -0.183 9.5 155.2 -60.8 155.3 21.0 32.0 22.4 200 1098 A S - 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