==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-AUG-07 2R47 . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN MTH_862; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER THERMAUTOTROPHICUS . AUTHOR J.OSIPIUK,E.EVDOKIMOVA,M.KUDRITSKA,A.SAVCHENKO,A.EDWARDS, . 773 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32216.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 583 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 130 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 14.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 62 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.7 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 10 0 0 0 0 0 5 6 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 5 5 10 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 . 0 4 1 1 4 4 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 0 0 0 0 0 0 0 0 2 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 G 0 0 45 0, 0.0 139,-0.2 0, 0.0 137,-0.1 0.000 360.0 360.0 360.0-164.4 39.2 82.3 10.6 2 0 A H - 0 0 142 134,-0.1 2,-0.5 1,-0.1 134,-0.0 -0.194 360.0-154.8 -58.9 130.1 35.7 83.8 10.9 3 1 A M - 0 0 12 308,-0.1 2,-0.4 306,-0.0 308,-0.2 -0.925 4.7-157.5-111.1 126.3 33.0 81.4 12.3 4 2 A E E -A 310 0A 122 306,-2.7 306,-2.3 -2,-0.5 2,-0.2 -0.904 24.4-112.4-106.9 131.8 29.4 82.1 11.4 5 3 A K E +A 309 0A 119 -2,-0.4 304,-0.3 304,-0.2 3,-0.1 -0.433 33.2 178.4 -62.5 126.6 26.5 80.7 13.5 6 4 A L E - 0 0 105 302,-3.7 2,-0.3 1,-0.4 303,-0.2 0.861 56.6 -33.1 -95.7 -53.9 24.6 78.1 11.5 7 5 A K E -A 308 0A 73 301,-1.2 301,-2.5 2,-0.0 -1,-0.4 -0.987 52.3-112.4-162.6 172.1 21.9 77.0 14.0 8 6 A E E -A 307 0A 127 -2,-0.3 2,-0.3 299,-0.2 299,-0.3 -0.733 24.9-171.6-110.6 158.2 21.0 76.4 17.6 9 7 A F E -A 306 0A 7 297,-2.3 297,-2.5 -2,-0.3 2,-0.4 -0.957 7.6-154.9-143.6 164.9 20.2 73.2 19.5 10 8 A R E > +A 305 0A 124 -2,-0.3 4,-0.6 295,-0.2 295,-0.2 -0.999 53.2 12.7-145.8 135.6 18.9 72.2 22.8 11 9 A G H > S- 0 0 5 293,-3.1 4,-1.7 -2,-0.4 5,-0.1 0.118 86.6 -77.8 86.1 162.5 19.3 69.0 24.9 12 10 A I H > S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.882 124.6 58.4 -63.8 -43.0 21.7 66.0 24.6 13 11 A K H > S+ 0 0 63 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.939 111.7 40.5 -55.8 -45.3 19.7 64.3 21.8 14 12 A E H X S+ 0 0 45 -4,-0.6 4,-2.5 2,-0.2 5,-0.2 0.812 110.6 58.8 -72.7 -32.8 20.2 67.4 19.5 15 13 A H H X S+ 0 0 1 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.959 111.5 40.9 -59.2 -49.8 23.8 67.9 20.6 16 14 A L H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.907 113.8 56.3 -61.8 -41.9 24.6 64.4 19.4 17 15 A G H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.899 103.9 49.5 -59.9 -44.4 22.5 65.0 16.3 18 16 A V H X S+ 0 0 11 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.839 112.2 50.9 -66.5 -29.8 24.2 68.1 15.1 19 17 A F H X S+ 0 0 0 -4,-1.3 4,-2.4 -5,-0.2 -2,-0.2 0.952 108.1 51.0 -68.0 -48.8 27.5 66.2 15.5 20 18 A R H < S+ 0 0 24 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.895 112.9 47.1 -53.9 -40.7 26.2 63.3 13.5 21 19 A E H >< S+ 0 0 23 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.904 108.9 54.1 -65.4 -45.6 25.2 65.7 10.8 22 20 A A H 3< S+ 0 0 16 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.857 118.5 34.3 -58.7 -38.6 28.6 67.5 10.9 23 21 A V T >< S+ 0 0 1 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 0.151 79.1 123.7-104.9 22.5 30.5 64.2 10.3 24 22 A K T < S+ 0 0 88 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.789 78.6 41.1 -56.4 -35.3 28.0 62.4 8.0 25 23 A D T 3 S+ 0 0 149 -3,-0.3 -1,-0.3 -4,-0.2 2,-0.2 0.402 93.7 109.7 -95.1 2.5 30.5 61.9 5.2 26 24 A A < - 0 0 12 -3,-2.0 3,-0.1 1,-0.1 -3,-0.0 -0.472 43.3-172.7 -82.6 150.7 33.5 60.9 7.4 27 25 A E S S+ 0 0 156 1,-0.3 26,-2.4 -2,-0.2 2,-0.4 0.726 77.0 28.4-101.5 -39.3 35.0 57.4 7.7 28 26 A R E -b 53 0A 46 24,-0.2 58,-1.8 2,-0.0 59,-1.5 -0.992 65.7-168.8-136.7 122.2 37.5 58.0 10.5 29 27 A I E -bc 54 87A 0 24,-1.5 26,-2.3 -2,-0.4 2,-0.4 -0.925 4.1-161.9-115.7 139.0 37.2 60.5 13.3 30 28 A G E -bc 55 88A 0 57,-2.4 59,-3.3 -2,-0.4 2,-0.5 -0.962 3.6-160.4-116.8 131.9 39.9 61.5 15.8 31 29 A F E -bc 56 89A 0 24,-2.6 26,-3.3 -2,-0.4 2,-0.5 -0.989 8.9-167.2-112.6 123.9 39.0 63.2 19.1 32 30 A A E +bc 57 90A 0 57,-2.9 59,-2.8 -2,-0.5 2,-0.3 -0.943 27.2 124.2-113.4 126.2 42.0 65.1 20.7 33 31 A G E -b 58 0A 0 24,-2.0 26,-2.8 -2,-0.5 59,-0.1 -0.991 61.2 -64.6-165.5 176.9 41.7 66.3 24.3 34 32 A V >> - 0 0 3 -2,-0.3 4,-2.7 24,-0.2 5,-0.9 -0.565 57.9-112.0 -73.9 122.2 43.0 66.4 27.8 35 33 A P T 45S+ 0 0 17 0, 0.0 2,-1.3 0, 0.0 195,-0.3 -0.215 95.7 11.6 -49.8 137.2 42.8 62.9 29.5 36 34 A G T 45S+ 0 0 1 193,-0.9 195,-0.2 1,-0.2 167,-0.2 -0.531 129.5 48.8 98.7 -70.0 40.2 62.8 32.3 37 35 A V T 45S+ 0 0 15 -2,-1.3 4,-0.2 1,-0.1 -1,-0.2 0.889 126.8 23.1 -65.9 -47.4 38.4 66.1 31.7 38 36 A X T >X5S+ 0 0 12 -4,-2.7 4,-1.9 1,-0.1 3,-0.9 0.714 99.9 84.2-101.9 -21.8 37.8 65.6 28.0 39 37 A T H 3> S+ 0 0 5 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.863 106.0 50.9 -56.8 -33.1 34.3 61.3 28.4 41 39 A F H <> S+ 0 0 15 -3,-0.9 4,-2.4 -4,-0.2 5,-0.3 0.916 108.1 50.8 -72.8 -41.6 33.3 63.8 25.7 42 40 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.930 112.6 47.3 -57.4 -41.4 35.3 61.9 23.1 43 41 A Q H X S+ 0 0 2 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.901 111.8 50.9 -69.0 -37.3 33.5 58.7 24.3 44 42 A L H X S+ 0 0 4 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.941 115.1 40.0 -65.0 -48.5 30.1 60.3 24.2 45 43 A F H X S+ 0 0 0 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.862 112.4 55.8 -76.4 -32.6 30.4 61.6 20.7 46 44 A A H >< S+ 0 0 2 -4,-2.3 3,-0.7 -5,-0.3 6,-0.3 0.913 105.2 54.7 -57.4 -44.2 32.1 58.5 19.4 47 45 A Y H >< S+ 0 0 27 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.897 103.4 54.9 -53.5 -44.1 29.2 56.5 20.7 48 46 A A H 3< S+ 0 0 4 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.733 120.7 31.4 -64.1 -26.6 26.9 58.8 18.6 49 47 A V T X< S+ 0 0 3 -4,-0.9 3,-2.5 -3,-0.7 -1,-0.3 -0.172 75.4 142.3-122.1 44.9 28.9 57.9 15.5 50 48 A R T < + 0 0 56 -3,-1.4 20,-0.2 1,-0.3 4,-0.1 0.582 61.4 74.0 -69.1 -10.2 29.9 54.3 16.5 51 49 A D T 3 S+ 0 0 45 -3,-0.1 -1,-0.3 -4,-0.1 2,-0.1 0.649 90.5 72.7 -67.4 -20.2 29.5 53.3 12.9 52 50 A K S < S- 0 0 26 -3,-2.5 2,-0.7 -6,-0.3 -24,-0.2 -0.368 96.2-103.5 -92.8 171.5 32.7 55.1 12.1 53 51 A D E -b 28 0A 118 -26,-2.4 -24,-1.5 -2,-0.1 2,-0.3 -0.894 52.1-175.7 -98.0 112.6 36.3 54.1 13.0 54 52 A N E -bD 29 68A 9 -2,-0.7 14,-2.8 14,-0.5 2,-0.3 -0.845 14.6-173.8-119.4 147.1 37.1 56.5 15.9 55 53 A I E -bD 30 67A 0 -26,-2.3 -24,-2.6 -2,-0.3 2,-0.5 -0.949 18.8-135.9-134.7 159.2 40.2 57.2 17.9 56 54 A F E -bD 31 66A 0 10,-2.8 10,-2.1 -2,-0.3 -24,-0.2 -0.967 14.8-160.5-116.8 125.6 41.1 59.3 21.0 57 55 A I E -b 32 0A 0 -26,-3.3 -24,-2.0 -2,-0.5 2,-0.4 -0.941 17.2-135.4-106.8 116.6 44.3 61.3 20.9 58 56 A P E > -b 33 0A 9 0, 0.0 3,-2.5 0, 0.0 -24,-0.2 -0.618 67.3 -41.3 -76.8 126.2 45.6 62.3 24.4 59 57 A N T 3 S- 0 0 51 -26,-2.8 -2,-0.1 -2,-0.4 42,-0.1 -0.407 117.8 -39.4 54.2-121.6 46.6 65.9 24.4 60 58 A T T 3 S+ 0 0 32 -2,-0.2 2,-1.2 -28,-0.1 -1,-0.3 0.059 105.3 119.9-118.5 26.6 48.5 66.4 21.1 61 59 A D X + 0 0 73 -3,-2.5 3,-1.7 1,-0.2 4,-0.1 -0.657 31.6 174.1 -97.6 87.7 50.2 63.0 21.1 62 60 A F G > S+ 0 0 33 -2,-1.2 3,-1.9 1,-0.3 19,-0.2 0.815 76.4 65.1 -58.0 -37.0 49.1 61.2 18.0 63 61 A S G 3 S+ 0 0 76 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.751 102.2 49.8 -61.4 -22.6 51.5 58.3 18.6 64 62 A K G < S+ 0 0 50 -3,-1.7 -1,-0.3 -6,-0.2 -2,-0.2 0.277 82.0 134.1 -98.2 9.9 49.6 57.5 21.8 65 63 A A < - 0 0 0 -3,-1.9 16,-2.6 -4,-0.1 2,-0.3 -0.278 37.4-162.1 -61.7 143.2 46.1 57.5 20.1 66 64 A R E -DE 56 80A 70 -10,-2.1 -10,-2.8 14,-0.3 14,-0.2 -0.960 23.5 -99.3-127.1 148.4 43.9 54.5 20.9 67 65 A K E -D 55 0A 64 12,-2.5 11,-3.0 -2,-0.3 2,-0.7 -0.365 25.1-137.8 -59.8 144.5 40.8 53.1 19.2 68 66 A L E -DE 54 77A 13 -14,-2.8 -14,-0.5 9,-0.2 2,-0.4 -0.929 35.4-175.4-102.1 104.1 37.4 54.0 20.7 69 67 A E E - E 0 76A 91 7,-3.1 7,-2.9 -2,-0.7 2,-0.4 -0.869 26.0-122.5-113.4 139.7 35.7 50.7 20.6 70 68 A V E + E 0 75A 75 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.626 39.0 163.9 -81.0 126.2 32.1 49.7 21.5 71 69 A T E > - E 0 74A 52 3,-3.9 3,-1.4 -2,-0.4 0, 0.0 -0.709 58.6 -85.4-122.1-177.4 31.7 47.1 24.2 72 70 A E T 3 S+ 0 0 125 1,-0.2 3,-0.1 -2,-0.2 -2,-0.1 0.654 130.7 53.3 -64.0 -10.3 28.8 45.9 26.4 73 71 A Y T 3 S- 0 0 9 1,-0.4 119,-0.9 118,-0.1 2,-0.4 0.520 121.1-100.4 -98.9 -5.5 29.8 48.8 28.7 74 72 A G E < S-E 71 0A 2 -3,-1.4 -3,-3.9 117,-0.3 2,-0.5 -0.942 76.7 -10.5 120.9-149.2 29.8 51.6 26.1 75 73 A V E +E 70 0A 7 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.790 68.5 176.2 -90.9 125.9 32.8 53.0 24.3 76 74 A E E -E 69 0A 50 -7,-2.9 -7,-3.1 -2,-0.5 2,-0.3 -0.892 36.3 -95.5-124.8 160.9 36.1 51.9 25.8 77 75 A L E -E 68 0A 21 -2,-0.3 -9,-0.2 -9,-0.2 3,-0.1 -0.563 45.4-180.0 -78.0 134.3 39.8 52.6 24.8 78 76 A G E - 0 0 15 -11,-3.0 -1,-0.1 1,-0.3 3,-0.1 0.029 38.9 -27.2-111.8-141.2 41.3 49.8 22.7 79 77 A E E S- 0 0 120 -13,-0.1 -12,-2.5 1,-0.1 -1,-0.3 -0.288 75.2 -82.5 -78.6 163.0 44.7 49.3 21.1 80 78 A I E +E 66 0A 65 -14,-0.2 -14,-0.3 -3,-0.1 -1,-0.1 -0.396 53.0 171.6 -58.7 137.4 47.2 52.0 20.0 81 79 A S + 0 0 19 -16,-2.6 2,-1.7 -19,-0.2 -17,-0.1 -0.585 16.4 179.5-158.2 76.7 46.1 53.2 16.6 82 80 A P + 0 0 70 0, 0.0 2,-0.4 0, 0.0 -19,-0.1 -0.341 32.4 143.8 -86.3 55.6 47.9 56.3 15.1 83 81 A G - 0 0 27 -2,-1.7 -2,-0.1 1,-0.1 -28,-0.0 -0.756 53.2-113.3 -87.7 142.1 46.0 56.3 11.9 84 82 A N - 0 0 75 -2,-0.4 2,-0.3 30,-0.1 30,-0.2 -0.224 32.5-139.1 -73.1 169.4 45.2 59.6 10.4 85 83 A V E - f 0 114A 0 28,-2.8 30,-3.1 1,-0.1 -56,-0.2 -0.847 18.6-136.6-129.5 157.8 41.6 60.7 10.2 86 84 A D E S+ 0 0 24 -58,-1.8 33,-2.4 -2,-0.3 2,-0.4 0.598 100.9 35.9 -94.7 -9.8 39.3 62.5 7.8 87 85 A V E S-cf 29 119A 5 -59,-1.5 -57,-2.4 31,-0.2 2,-0.6 -0.968 70.6-165.1-133.8 126.8 37.8 64.6 10.6 88 86 A L E -cf 30 120A 0 31,-2.5 33,-3.0 -2,-0.4 2,-0.7 -0.949 7.0-161.4-108.8 122.1 39.9 65.8 13.5 89 87 A V E -cf 31 121A 0 -59,-3.3 -57,-2.9 -2,-0.6 2,-0.5 -0.890 3.2-156.0-107.5 113.2 37.8 67.0 16.5 90 88 A L E -cf 32 122A 0 31,-3.2 33,-2.5 -2,-0.7 2,-0.3 -0.765 14.7-139.1 -85.1 132.7 39.7 69.2 19.0 91 89 A L E > - f 0 123A 2 -59,-2.8 3,-2.0 -2,-0.5 4,-0.3 -0.641 19.8-114.2 -93.8 147.6 38.1 69.2 22.5 92 90 A G G > S+ 0 0 7 31,-1.4 3,-2.1 1,-0.3 4,-0.2 0.756 107.2 70.6 -54.5 -33.9 37.8 72.4 24.5 93 91 A G G > S+ 0 0 8 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.771 85.4 70.5 -54.9 -28.4 40.2 71.3 27.3 94 92 A L G < S+ 0 0 0 -3,-2.0 7,-2.7 1,-0.3 -1,-0.3 0.761 95.8 53.5 -60.2 -25.2 43.1 71.6 24.8 95 93 A S G < S+ 0 0 7 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.450 84.3 112.4 -89.5 -2.7 42.7 75.4 24.9 96 94 A M S X> S- 0 0 29 -3,-1.7 4,-1.8 -4,-0.2 3,-0.9 -0.488 73.6-110.9 -75.7 139.0 42.9 75.7 28.7 97 95 A P T 34 S+ 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.401 98.0 36.7 -63.7 142.1 45.9 77.4 30.2 98 96 A G T 34 S- 0 0 13 1,-0.1 -2,-0.0 -2,-0.1 3,-0.0 0.276 138.9 -5.9 105.9 -8.0 48.5 75.3 32.1 99 97 A I T <4 S+ 0 0 61 -3,-0.9 2,-0.3 -6,-0.1 -4,-0.1 0.446 85.3 118.0 128.2 51.3 48.2 72.2 29.8 100 98 A G S < S- 0 0 2 -4,-1.8 2,-0.3 -6,-0.3 -5,-0.2 -0.007 89.5 -87.8 -64.4-158.4 45.8 72.5 27.4 101 99 A S - 0 0 15 -7,-2.7 -2,-0.1 -2,-0.3 -1,-0.1 -0.843 38.7 -97.1-119.1 155.2 48.5 72.3 24.7 102 100 A D >> - 0 0 29 -2,-0.3 4,-2.0 1,-0.1 3,-0.7 -0.406 36.5-115.1 -72.3 151.8 50.5 75.0 23.1 103 101 A I H 3> S+ 0 0 16 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.834 114.7 53.9 -57.9 -35.0 49.2 76.3 19.8 104 102 A E H 3> S+ 0 0 82 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.868 107.9 49.3 -70.3 -31.6 52.2 75.1 17.8 105 103 A D H <> S+ 0 0 76 -3,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.842 111.9 51.2 -70.5 -35.0 51.8 71.5 19.2 106 104 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.914 109.3 48.5 -64.9 -45.4 48.1 71.7 18.2 107 105 A K H X S+ 0 0 79 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.844 109.8 52.5 -65.4 -33.1 49.0 72.9 14.7 108 106 A K H X S+ 0 0 117 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.876 107.8 52.3 -68.3 -39.2 51.5 70.0 14.4 109 107 A L H X>S+ 0 0 1 -4,-1.8 4,-3.3 2,-0.2 5,-0.6 0.913 109.0 49.3 -57.7 -44.4 48.8 67.6 15.5 110 108 A V H X5S+ 0 0 32 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.932 112.5 48.4 -64.3 -42.7 46.5 69.0 12.8 111 109 A E H <5S+ 0 0 133 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.898 121.5 34.9 -60.7 -42.8 49.4 68.5 10.3 112 110 A D H <5S+ 0 0 69 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.863 125.1 33.0 -81.0 -43.9 50.1 65.0 11.4 113 111 A A H <5S+ 0 0 0 -4,-3.3 -28,-2.8 -5,-0.2 2,-0.6 0.714 100.8 77.5 -95.1 -24.3 46.7 63.4 12.3 114 112 A L E < - 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