==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-JUN-05 2A2C . COMPND 2 MOLECULE: N-ACETYLGALACTOSAMINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.B.THODEN,H.M.HOLDEN . 446 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18577.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 310 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 17 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.9 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 1 3 0 0 1 2 1 1 1 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 . 4 0 2 2 1 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 0 0 0 1 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 0 107 0, 0.0 166,-0.3 0, 0.0 164,-0.1 0.000 360.0 360.0 360.0-137.5 38.9 0.8 -7.4 2 3 A T + 0 0 123 163,-0.1 162,-0.0 165,-0.1 166,-0.0 0.338 360.0 136.6-111.6 0.1 41.3 -1.0 -5.2 3 4 A E - 0 0 111 162,-0.2 163,-3.7 1,-0.1 164,-0.5 -0.275 41.6-148.3 -57.4 139.1 44.3 0.4 -7.1 4 5 A S - 0 0 37 161,-0.3 161,-0.2 162,-0.1 2,-0.1 -0.558 34.2 -74.0-101.2 165.2 47.2 1.6 -4.9 5 6 A P - 0 0 16 0, 0.0 438,-0.2 0, 0.0 -1,-0.1 -0.392 57.5-114.3 -65.8 136.7 49.6 4.3 -5.5 6 7 A A - 0 0 51 436,-0.4 438,-3.1 -2,-0.1 2,-0.5 -0.251 14.7-136.7 -70.2 158.3 52.2 3.4 -8.0 7 8 A T E -a 444 0A 83 436,-0.2 2,-0.3 438,-0.0 438,-0.2 -0.991 26.9-170.9-116.9 120.6 55.9 2.9 -7.4 8 9 A R E -a 445 0A 136 436,-3.2 438,-2.6 -2,-0.5 2,-0.4 -0.935 20.7-131.2-122.4 144.9 58.1 4.5 -10.1 9 10 A R E +a 446 0A 156 -2,-0.3 2,-0.3 436,-0.2 438,-0.2 -0.697 32.8 179.0 -84.9 127.4 61.9 4.4 -10.9 10 11 A V E -a 447 0A 14 436,-2.9 438,-5.6 -2,-0.4 2,-1.0 -0.910 34.3-121.5-132.0 163.3 63.5 7.7 -11.5 11 12 A Q > - 0 0 97 -2,-0.3 3,-2.4 436,-0.2 4,-0.5 -0.873 19.7-157.8-107.2 105.3 67.0 9.0 -12.2 12 13 A V G > S+ 0 0 4 -2,-1.0 3,-2.0 1,-0.3 7,-0.7 0.833 90.3 64.6 -42.1 -44.1 67.7 11.3 -9.4 13 14 A A G 3 S+ 0 0 80 1,-0.3 -1,-0.3 -3,-0.1 6,-0.0 0.765 98.7 54.3 -52.4 -36.7 70.3 13.0 -11.6 14 15 A E G < S+ 0 0 101 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.525 101.4 65.4 -80.1 -7.0 67.5 14.2 -13.9 15 16 A H X> - 0 0 65 -3,-2.0 4,-2.5 -4,-0.5 3,-0.9 -0.776 63.6-164.3-124.6 98.1 65.6 15.8 -11.2 16 17 A P H 3> S+ 0 0 110 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.820 90.8 56.1 -40.6 -38.1 67.2 18.6 -9.7 17 18 A R H 3> S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.904 109.1 40.4 -68.2 -43.3 64.8 18.3 -6.9 18 19 A L H <> S+ 0 0 9 -3,-0.9 4,-3.4 -6,-0.3 -1,-0.2 0.826 113.8 55.4 -73.3 -33.0 65.4 14.8 -5.9 19 20 A L H X S+ 0 0 51 -4,-2.5 4,-3.0 -7,-0.7 5,-0.2 0.956 111.1 44.4 -60.5 -49.8 69.1 15.2 -6.3 20 21 A K H X S+ 0 0 135 -4,-2.2 4,-3.0 -5,-0.3 5,-0.3 0.922 113.4 50.4 -57.2 -47.8 69.0 18.1 -4.0 21 22 A L H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.947 111.1 50.8 -56.8 -47.9 66.8 16.2 -1.7 22 23 A K H X S+ 0 0 43 -4,-3.4 4,-2.2 1,-0.2 -2,-0.2 0.947 113.3 43.0 -55.8 -52.3 69.2 13.2 -1.8 23 24 A E H X S+ 0 0 123 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.931 114.7 48.2 -66.0 -43.5 72.3 15.2 -1.1 24 25 A M H X S+ 0 0 58 -4,-3.0 4,-1.7 -5,-0.2 -1,-0.2 0.840 110.8 53.9 -65.5 -33.3 70.7 17.3 1.7 25 26 A F H X S+ 0 0 0 -4,-2.6 4,-3.8 -5,-0.3 6,-0.5 0.920 107.9 48.7 -65.9 -43.5 69.3 14.1 3.3 26 27 A N H X S+ 0 0 67 -4,-2.2 4,-3.2 -5,-0.2 -2,-0.2 0.942 113.2 46.7 -63.0 -44.0 72.6 12.5 3.4 27 28 A S H < S+ 0 0 108 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.834 117.5 44.9 -65.2 -31.7 74.2 15.6 4.9 28 29 A K H < S+ 0 0 94 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.873 132.0 16.9 -81.0 -40.4 71.4 15.8 7.4 29 30 A F H < S- 0 0 45 -4,-3.8 -3,-0.2 2,-0.3 -2,-0.2 0.522 95.5-119.8-114.8 -7.2 71.2 12.2 8.4 30 31 A G S < S+ 0 0 61 -4,-3.2 2,-0.3 -5,-0.5 -4,-0.2 0.566 86.1 73.3 84.4 1.2 74.4 10.6 7.3 31 32 A S S S- 0 0 46 -6,-0.5 -2,-0.3 -5,-0.1 -1,-0.2 -0.987 84.1-104.8-147.1 156.3 72.8 8.2 5.0 32 33 A I - 0 0 79 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.1 -0.478 47.1 -96.6 -79.9 155.0 71.1 8.2 1.6 33 34 A P - 0 0 6 0, 0.0 38,-0.3 0, 0.0 -1,-0.1 -0.321 19.2-146.0 -66.7 152.4 67.3 8.0 1.5 34 35 A K S S- 0 0 146 36,-3.0 413,-0.3 1,-0.3 2,-0.3 0.837 76.0 -18.9 -85.9 -32.0 65.8 4.6 0.9 35 36 A F E -B 70 0A 10 35,-1.8 35,-3.4 411,-0.1 -1,-0.3 -0.976 59.7-131.5-164.4 171.9 62.9 6.0 -1.1 36 37 A Y E -BC 69 445A 3 409,-2.6 409,-3.6 -2,-0.3 2,-0.4 -0.906 9.7-154.8-133.2 159.2 60.9 9.1 -1.8 37 38 A V E -BC 68 444A 0 31,-2.0 31,-2.9 -2,-0.3 2,-0.4 -0.994 5.0-165.0-136.7 140.3 57.2 10.0 -2.0 38 39 A R E +BC 67 443A 32 405,-2.7 405,-2.1 -2,-0.4 29,-0.2 -0.977 8.1 177.5-125.3 140.1 55.4 12.8 -3.8 39 40 A A E -B 66 0A 0 27,-1.9 27,-2.6 -2,-0.4 112,-0.1 -0.971 24.7-137.0-138.3 121.8 51.9 14.1 -3.3 40 41 A P E -B 65 0A 1 0, 0.0 25,-0.3 0, 0.0 402,-0.1 -0.340 3.9-130.7 -82.6 163.2 50.7 17.0 -5.5 41 42 A G E - 0 0 1 23,-2.5 21,-1.9 21,-0.1 2,-0.3 -0.191 32.3-145.0 -87.7-169.8 48.7 20.1 -4.7 42 43 A R E -B 61 0A 7 100,-1.9 2,-0.4 19,-0.3 19,-0.2 -0.997 15.6-131.6-160.1 160.1 45.7 21.0 -6.9 43 44 A V E -B 60 0A 0 17,-2.6 17,-2.3 -2,-0.3 2,-0.8 -0.968 23.9-138.4-116.9 131.0 43.6 23.7 -8.4 44 45 A N E -B 59 0A 0 -2,-0.4 3,-0.1 97,-0.3 355,-0.1 -0.833 11.5-164.2 -90.0 116.8 39.8 23.5 -8.1 45 46 A I E - 0 0 0 13,-2.0 2,-0.3 -2,-0.8 -1,-0.2 0.936 68.9 -23.8 -66.3 -45.4 38.3 24.4 -11.4 46 47 A I E S+B 58 0A 0 12,-0.6 12,-1.7 1,-0.1 -1,-0.3 -0.964 100.0 78.1-165.0 149.2 34.8 25.0 -10.0 47 48 A G > - 0 0 0 -2,-0.3 3,-0.6 10,-0.2 2,-0.3 0.788 55.7-170.1 111.1 57.4 32.8 23.8 -7.0 48 49 A E T 3 - 0 0 3 1,-0.2 -1,-0.1 2,-0.1 288,-0.1 -0.665 60.9 -1.6 -88.2 136.9 34.0 25.9 -4.1 49 50 A H T 3 S+ 0 0 7 -2,-0.3 -1,-0.2 1,-0.1 287,-0.1 0.789 104.9 97.1 63.7 32.8 33.1 25.3 -0.4 50 51 A I X > + 0 0 0 -3,-0.6 5,-2.7 5,-0.1 3,-0.9 0.554 52.6 81.0-124.1 -16.3 30.8 22.4 -1.2 51 52 A D G > 5S+ 0 0 16 -4,-0.3 3,-2.1 1,-0.3 135,-0.1 0.951 96.7 48.9 -58.4 -46.3 32.8 19.2 -0.7 52 53 A Y G 3 5S+ 0 0 7 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.647 106.2 59.2 -66.6 -11.4 32.2 19.4 3.1 53 54 A C G < 5S- 0 0 2 -3,-0.9 214,-2.5 2,-0.1 215,-0.3 0.453 125.4-106.8 -90.9 -4.1 28.5 19.9 2.2 54 55 A G T < 5S+ 0 0 15 -3,-2.1 151,-0.4 -4,-0.4 2,-0.2 0.452 75.1 135.1 92.0 8.4 28.7 16.5 0.4 55 56 A Y < - 0 0 16 -5,-2.7 -1,-0.3 149,-0.1 -2,-0.1 -0.614 58.4-100.0 -96.4 155.3 28.7 17.8 -3.1 56 57 A S - 0 0 23 -2,-0.2 2,-0.3 149,-0.1 148,-0.2 -0.336 38.9-165.0 -67.7 143.7 30.8 16.9 -6.2 57 58 A V B -H 203 0B 0 146,-2.0 146,-3.4 283,-0.1 -10,-0.2 -0.802 18.1-135.5-128.5 166.8 33.7 19.1 -7.1 58 59 A L E +B 46 0A 0 -12,-1.7 -13,-2.0 -2,-0.3 -12,-0.6 -0.579 40.4 144.6-132.6 73.8 36.0 19.5 -10.1 59 60 A P E -B 44 0A 0 0, 0.0 142,-2.3 0, 0.0 2,-0.3 -0.469 28.0-155.9 -98.8 174.2 39.7 19.9 -9.4 60 61 A M E -B 43 0A 0 -17,-2.3 -17,-2.6 140,-0.2 2,-0.2 -0.989 28.3-104.3-146.5 149.2 42.9 18.7 -11.1 61 62 A A E -BD 42 439A 0 378,-0.6 378,-2.5 -2,-0.3 -19,-0.3 -0.456 32.0-144.9 -75.0 147.9 46.3 18.1 -9.7 62 63 A V E - 0 0 0 -21,-1.9 -21,-0.1 2,-0.3 374,-0.1 -0.571 23.9-110.3-100.1 174.0 48.9 20.7 -10.4 63 64 A E E S+ 0 0 151 -2,-0.2 -1,-0.1 -23,-0.1 73,-0.1 0.819 92.0 90.9 -73.8 -33.6 52.6 20.0 -11.0 64 65 A Q E + 0 0 31 71,-0.1 -23,-2.5 -24,-0.1 2,-0.3 -0.360 58.4 153.5 -63.7 143.9 53.8 21.5 -7.7 65 66 A D E -B 40 0A 15 -25,-0.3 70,-2.6 68,-0.1 2,-0.5 -0.908 48.3 -91.0-155.5-175.5 53.9 19.0 -4.9 66 67 A V E -BE 39 134A 8 -27,-2.6 -27,-1.9 -2,-0.3 2,-0.5 -0.947 38.4-167.4-110.5 122.1 55.3 17.9 -1.5 67 68 A L E -BE 38 133A 8 66,-3.2 66,-2.7 -2,-0.5 2,-0.4 -0.956 2.0-168.7-113.7 131.0 58.3 15.6 -2.0 68 69 A I E -BE 37 132A 0 -31,-2.9 -31,-2.0 -2,-0.5 2,-0.4 -0.983 12.2-152.4-126.3 124.3 59.7 13.6 1.0 69 70 A A E -BE 36 131A 0 62,-2.5 62,-2.1 -2,-0.4 2,-0.4 -0.785 28.0-165.2 -88.0 132.2 63.0 11.6 1.1 70 71 A V E +BE 35 130A 0 -35,-3.4 -36,-3.0 -2,-0.4 -35,-1.8 -0.945 27.2 178.9-132.1 150.3 62.7 8.7 3.6 71 72 A E E - E 0 129A 39 58,-1.9 58,-3.0 -2,-0.4 2,-0.1 -0.948 27.0-136.4-144.6 113.8 64.8 6.3 5.5 72 73 A P E - E 0 128A 38 0, 0.0 2,-0.3 0, 0.0 56,-0.3 -0.406 24.5-164.0 -68.2 149.1 63.2 3.8 7.9 73 74 A V - 0 0 34 54,-1.5 54,-0.2 2,-0.2 4,-0.0 -0.949 27.1-128.6-135.7 159.8 64.9 3.4 11.2 74 75 A K S S+ 0 0 192 -2,-0.3 53,-0.1 2,-0.1 -1,-0.1 0.724 85.8 81.3 -76.4 -30.5 64.8 0.8 14.0 75 76 A T S S- 0 0 86 1,-0.1 2,-0.3 2,-0.1 -2,-0.2 -0.199 89.5-118.4 -67.4 171.0 64.3 3.2 16.8 76 77 A Y S S+ 0 0 122 51,-0.1 2,-0.4 50,-0.1 49,-0.2 -0.367 75.7 119.5-108.1 52.6 60.8 4.4 17.3 77 78 A A - 0 0 19 -2,-0.3 51,-1.9 2,-0.0 2,-0.5 -0.941 52.4-151.3-121.4 144.0 61.8 7.9 16.7 78 79 A L E -Fg 92 128A 0 14,-3.5 14,-2.1 -2,-0.4 2,-0.5 -0.966 11.6-173.3-113.6 120.1 60.7 10.2 14.0 79 80 A Q E -Fg 91 129A 82 49,-2.2 51,-2.7 -2,-0.5 2,-0.4 -0.979 8.4-172.4-115.5 121.3 63.1 12.8 12.9 80 81 A L E +Fg 90 130A 3 10,-3.2 10,-2.0 -2,-0.5 2,-0.3 -0.922 7.9 170.5-116.0 137.4 61.7 15.4 10.4 81 82 A A E - g 0 131A 1 49,-2.3 51,-3.0 -2,-0.4 2,-0.3 -0.936 17.2-145.8-138.8 165.6 63.5 18.1 8.5 82 83 A N E - g 0 132A 18 5,-0.4 51,-0.2 -2,-0.3 7,-0.1 -0.960 20.2-135.7-132.6 147.1 62.7 20.6 5.7 83 84 A T S S+ 0 0 35 49,-2.9 50,-0.1 -2,-0.3 -1,-0.1 0.708 95.7 72.2 -72.3 -17.6 64.7 22.0 2.9 84 85 A N S > S- 0 0 70 48,-0.4 3,-2.9 1,-0.1 -1,-0.1 -0.888 75.6-149.4-103.8 114.6 63.2 25.4 3.8 85 86 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.672 91.0 79.9 -57.0 -17.8 64.6 26.8 7.0 86 87 A L T 3 S+ 0 0 116 1,-0.2 -3,-0.0 2,-0.1 -2,-0.0 0.774 90.1 61.0 -59.9 -22.9 61.3 28.5 7.5 87 88 A Y S < S- 0 0 60 -3,-2.9 -5,-0.4 17,-0.1 -1,-0.2 -0.873 89.2-140.3-113.5 97.9 60.2 25.1 8.8 88 89 A P - 0 0 88 0, 0.0 18,-0.2 0, 0.0 -2,-0.1 -0.143 22.0 -99.1 -60.7 148.0 62.3 24.0 11.8 89 90 A D - 0 0 88 -7,-0.1 2,-0.3 -4,-0.1 -8,-0.2 -0.217 42.7-170.4 -59.9 154.5 63.4 20.5 12.4 90 91 A F E -F 80 0A 54 -10,-2.0 -10,-3.2 2,-0.0 2,-0.3 -0.996 10.3-169.0-151.3 148.1 61.4 18.4 14.8 91 92 A S E +F 79 0A 75 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.993 8.5 170.8-139.4 146.3 61.7 15.1 16.5 92 93 A T E -F 78 0A 33 -14,-2.1 -14,-3.5 -2,-0.3 -2,-0.0 -0.988 25.8-177.2-154.1 155.5 59.4 12.9 18.5 93 94 A S + 0 0 77 -2,-0.3 32,-0.3 -16,-0.2 -1,-0.1 0.112 40.9 151.5-134.1 8.5 59.2 9.4 20.0 94 95 A A - 0 0 51 1,-0.1 -2,-0.1 -16,-0.1 31,-0.0 -0.147 38.7-155.5 -53.8 135.2 55.7 9.7 21.2 95 96 A N 0 0 90 29,-0.1 -1,-0.1 30,-0.1 0, 0.0 0.868 360.0 360.0 -79.4 -39.1 53.5 6.6 21.5 96 97 A N 0 0 179 29,-0.0 28,-0.1 28,-0.0 27,-0.1 -0.510 360.0 360.0 -68.8 360.0 50.2 8.4 21.1 97 ! 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 98 100 A I 0 0 62 0, 0.0 9,-0.0 0, 0.0 10,-0.0 0.000 360.0 360.0 360.0 120.9 48.0 17.1 17.7 99 101 A D - 0 0 76 3,-0.1 81,-0.1 1,-0.1 80,-0.0 0.853 360.0-179.8 -40.8 -58.6 48.4 20.2 19.8 100 102 A K + 0 0 105 2,-0.4 -1,-0.1 1,-0.1 81,-0.0 0.934 60.4 95.5 38.4 67.5 45.9 22.2 17.9 101 103 A T S S+ 0 0 107 1,-0.0 -1,-0.1 0, 0.0 -2,-0.1 0.080 102.6 10.6-145.8 -28.3 46.6 25.1 20.2 102 104 A K S S- 0 0 110 2,-0.1 2,-1.8 78,-0.0 -2,-0.4 -0.902 79.0-122.6-161.1 123.0 49.0 26.3 17.4 103 105 A P + 0 0 47 0, 0.0 131,-0.1 0, 0.0 130,-0.1 -0.383 35.5 177.2 -76.4 69.1 49.5 25.1 13.7 104 106 A L >> - 0 0 82 -2,-1.8 3,-1.7 1,-0.1 4,-0.5 -0.352 38.4-117.6 -66.7 143.4 53.2 24.1 13.5 105 107 A W H >> S+ 0 0 23 1,-0.3 3,-1.7 2,-0.2 4,-0.9 0.873 109.5 58.9 -51.5 -43.3 54.2 22.6 10.2 106 108 A H H 3> S+ 0 0 18 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.741 91.1 70.7 -63.4 -19.0 55.2 19.2 11.5 107 109 A N H <> S+ 0 0 2 -3,-1.7 4,-2.2 1,-0.2 -1,-0.3 0.802 93.1 56.5 -67.8 -25.2 51.8 18.6 12.9 108 110 A Y H <>S+ 0 0 10 -4,-2.6 5,-2.6 1,-0.2 3,-0.5 0.941 115.1 46.4 -56.5 -48.3 48.9 4.2 12.3 118 120 A E H ><5S+ 0 0 92 -4,-2.9 3,-1.9 1,-0.2 -1,-0.2 0.849 103.4 62.4 -62.5 -34.7 45.4 4.4 13.7 119 121 A H H 3<5S+ 0 0 88 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.861 110.9 40.3 -58.3 -37.3 43.9 2.8 10.7 120 122 A F T <<5S- 0 0 51 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.269 115.6-116.5 -95.5 13.0 45.9 -0.2 11.5 121 123 A G T < 5 + 0 0 66 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.765 59.8 159.4 60.0 25.2 45.3 0.1 15.2 122 124 A L < - 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