==== 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 BIOSYNTHETIC PROTEIN 01-OCT-08 3EQU . COMPND 2 MOLECULE: PENICILLIN-BINDING PROTEIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA GONORRHOEAE; . AUTHOR A.J.POWELL,A.M.DEACON,R.A.NICHOLAS,C.DAVIES . 855 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37420.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 562 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 159 18.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 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 . 43 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.2 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 8 4 0 2 4 0 2 2 3 0 2 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 9 8 6 1 0 4 1 5 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 . 11 2 2 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 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 63 A N 0 0 106 0, 0.0 2,-0.5 0, 0.0 80,-0.3 0.000 360.0 360.0 360.0 -12.9 22.0 52.7 2.6 2 64 A R + 0 0 178 78,-0.2 2,-0.4 79,-0.1 78,-0.2 -0.922 360.0 177.1-117.1 103.4 23.2 49.2 3.3 3 65 A I E -A 79 0A 59 76,-2.8 76,-2.8 -2,-0.5 2,-0.4 -0.924 28.3-135.4-118.6 127.7 26.9 49.6 4.3 4 66 A V E +A 78 0A 97 -2,-0.4 2,-0.4 74,-0.2 74,-0.2 -0.602 34.5 174.9 -76.5 128.5 29.4 46.9 5.5 5 67 A R E -A 77 0A 94 72,-3.0 72,-3.1 -2,-0.4 2,-0.7 -0.998 34.2-136.1-140.3 137.8 31.4 48.2 8.5 6 68 A T E -A 76 0A 58 -2,-0.4 2,-0.6 70,-0.2 70,-0.2 -0.891 28.8-155.5 -89.9 114.0 34.0 46.8 10.9 7 69 A Q E -A 75 0A 55 68,-3.3 68,-1.8 -2,-0.7 2,-0.1 -0.851 12.4-128.0 -96.1 118.8 32.9 48.0 14.3 8 70 A A E -A 74 0A 61 -2,-0.6 66,-0.3 66,-0.2 64,-0.0 -0.424 13.1-160.8 -60.7 134.8 35.6 48.2 17.0 9 71 A L E -A 73 0A 53 64,-2.8 64,-3.4 86,-0.1 -1,-0.1 -0.873 24.1-147.5-114.7 88.0 34.9 46.4 20.3 10 72 A P - 0 0 53 0, 0.0 2,-0.1 0, 0.0 62,-0.1 -0.324 7.3-123.6 -64.8 137.7 37.4 48.2 22.5 11 73 A A - 0 0 8 87,-0.1 2,-0.6 58,-0.1 22,-0.1 -0.457 28.7-113.5 -64.4 146.1 39.0 46.4 25.4 12 74 A T - 0 0 55 -2,-0.1 88,-2.8 59,-0.1 3,-0.1 -0.821 34.0-119.5 -83.5 120.7 38.5 48.0 28.9 13 75 A R - 0 0 13 -2,-0.6 14,-0.5 86,-0.2 56,-0.2 -0.294 36.8 -96.8 -54.7 135.7 41.9 49.2 30.1 14 76 A G - 0 0 1 54,-3.1 88,-0.2 87,-0.2 2,-0.2 -0.178 40.1-112.8 -52.8 148.5 43.0 47.6 33.4 15 77 A T - 0 0 33 85,-0.2 88,-3.3 -3,-0.1 2,-0.5 -0.547 17.1-143.6 -80.8 147.7 42.3 49.5 36.6 16 78 A V E +De 25 103B 5 9,-2.5 8,-3.4 -2,-0.2 9,-1.7 -0.987 27.1 173.2-108.7 127.3 45.1 50.9 38.9 17 79 A S E -De 23 104B 19 86,-2.7 88,-3.0 -2,-0.5 6,-0.2 -0.846 30.4-110.9-125.9 161.7 44.4 50.7 42.6 18 80 A D > - 0 0 2 4,-2.4 3,-1.7 -2,-0.3 90,-0.2 -0.250 49.4 -85.8 -82.9 179.1 46.3 51.4 45.8 19 81 A R T 3 S+ 0 0 44 88,-2.6 89,-0.1 1,-0.3 87,-0.1 0.692 130.9 44.4 -60.2 -21.8 47.5 48.7 48.2 20 82 A N T 3 S- 0 0 104 87,-0.3 -1,-0.3 2,-0.1 88,-0.1 0.302 125.8 -95.8-106.9 5.1 44.2 48.7 50.0 21 83 A G < + 0 0 43 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.476 68.2 152.0 99.5 2.3 42.0 48.8 46.9 22 84 A A - 0 0 25 1,-0.1 -4,-2.4 -5,-0.0 2,-0.3 -0.529 51.1-117.6 -64.0 126.7 41.3 52.6 46.5 23 85 A V E +D 17 0B 62 -2,-0.3 -6,-0.3 -6,-0.2 16,-0.2 -0.521 40.6 168.5 -77.3 126.0 40.8 53.1 42.8 24 86 A L E + 0 0 4 -8,-3.4 2,-0.3 1,-0.4 15,-0.3 0.697 65.9 15.1-109.9 -29.2 43.3 55.4 41.2 25 87 A A E +D 16 0B 0 -9,-1.7 -9,-2.5 12,-0.2 -1,-0.4 -0.956 67.7 154.1-153.7 129.5 42.8 55.0 37.5 26 88 A L E -F 36 0C 62 10,-2.4 10,-3.6 -2,-0.3 2,-0.4 -0.981 33.7-118.8-151.5 162.0 39.9 53.5 35.5 27 89 A S E -F 35 0C 23 -14,-0.5 8,-0.2 -2,-0.3 -2,-0.0 -0.863 23.0-174.9-107.6 140.4 38.2 53.7 32.1 28 90 A A E -F 34 0C 30 6,-2.5 6,-3.5 -2,-0.4 2,-0.2 -0.912 32.3 -99.8-124.0 152.6 34.6 54.6 31.5 29 91 A P E F 33 0C 110 0, 0.0 4,-0.3 0, 0.0 -17,-0.0 -0.519 360.0 360.0 -75.5 141.9 32.6 54.6 28.2 30 92 A T 0 0 111 2,-4.0 0, 0.0 -2,-0.2 0, 0.0 -0.826 360.0 360.0-135.1 360.0 32.1 57.8 26.1 31 ! 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 32 164 A E 0 0 156 0, 0.0 -2,-4.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 137.3 35.2 54.7 23.0 33 165 A L E -F 29 0C 52 -4,-0.3 2,-0.4 -22,-0.1 -6,-0.0 -0.693 360.0-150.2 -91.0 151.8 36.5 54.5 26.6 34 166 A K E -F 28 0C 110 -6,-3.5 -6,-2.5 -2,-0.3 2,-0.4 -0.982 16.8-122.3-121.9 139.0 37.8 57.5 28.5 35 167 A R E -F 27 0C 20 -2,-0.4 2,-0.4 -8,-0.2 -8,-0.2 -0.668 28.2-166.9 -84.2 130.4 40.5 57.4 31.2 36 168 A H E -F 26 0C 62 -10,-3.6 -10,-2.4 -2,-0.4 119,-0.0 -0.943 17.0-167.6-120.9 134.0 39.5 58.7 34.7 37 169 A Y > - 0 0 12 -2,-0.4 3,-1.9 -12,-0.2 -12,-0.2 -0.896 8.9-171.1-117.4 92.9 41.8 59.6 37.7 38 170 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -14,-0.1 0.820 83.4 50.8 -60.6 -31.5 39.3 60.0 40.6 39 171 A X T > S- 0 0 55 -15,-0.3 3,-1.7 1,-0.3 4,-0.1 0.222 94.9-156.5 -93.6 15.7 41.9 61.4 43.0 40 172 A G G X + 0 0 18 -3,-1.9 3,-0.6 1,-0.2 -1,-0.3 -0.189 66.3 1.5 53.4-124.8 43.2 64.0 40.5 41 173 A N G > S+ 0 0 56 1,-0.2 3,-1.9 2,-0.1 4,-0.3 0.580 105.0 95.7 -72.7 -13.7 46.7 65.2 41.0 42 174 A L G < S+ 0 0 19 -3,-1.7 -1,-0.2 1,-0.3 3,-0.2 0.869 102.5 19.8 -47.4 -50.3 47.5 63.0 44.0 43 175 A F G <>>S+ 0 0 9 -3,-0.6 4,-2.2 1,-0.2 5,-0.6 0.074 87.1 132.5-109.0 26.4 49.2 60.3 42.0 44 176 A A H <>5S+ 0 0 2 -3,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.824 75.1 35.5 -47.4 -50.7 50.0 62.4 38.8 45 177 A H H 45S+ 0 0 10 -4,-0.3 -1,-0.2 -3,-0.2 15,-0.1 0.851 116.3 51.2 -80.3 -37.0 53.6 61.4 38.3 46 178 A V H 45S+ 0 0 0 100,-0.3 14,-2.0 13,-0.1 -2,-0.2 0.966 124.2 26.5 -62.6 -56.6 53.5 57.8 39.4 47 179 A I H <5S- 0 0 5 -4,-2.2 14,-2.6 12,-0.2 15,-0.3 0.889 88.8-177.3 -79.1 -39.7 50.5 56.8 37.2 48 180 A G << - 0 0 1 -4,-1.7 2,-0.3 -5,-0.6 11,-0.2 -0.550 28.3 -79.4 74.0-141.7 50.9 59.4 34.4 49 181 A F E -G 58 0D 8 9,-0.7 8,-3.5 -2,-0.2 9,-1.8 -0.983 23.4-121.6-160.3 159.5 48.4 59.4 31.6 50 182 A T E -G 56 0D 21 6,-0.3 6,-0.3 -2,-0.3 2,-0.1 -0.675 32.7-113.7-100.6 159.0 47.2 57.9 28.3 51 183 A D > - 0 0 53 4,-3.8 3,-3.1 -2,-0.2 4,-0.1 -0.377 46.2 -81.4 -83.7 174.4 46.7 59.6 25.0 52 184 A I T 3 S+ 0 0 151 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.728 132.0 54.0 -45.3 -29.8 43.4 60.3 23.2 53 185 A D T 3 S- 0 0 104 2,-0.1 -1,-0.3 -21,-0.0 3,-0.1 0.333 122.0-105.8 -90.0 5.8 43.5 56.7 21.8 54 186 A G S < S+ 0 0 25 -3,-3.1 2,-0.4 1,-0.3 -2,-0.1 0.703 75.7 138.4 72.9 20.2 43.9 55.2 25.3 55 187 A K - 0 0 81 -4,-0.1 -4,-3.8 1,-0.0 -1,-0.3 -0.854 62.8-104.0 -89.2 133.2 47.6 54.4 24.8 56 188 A G E +G 50 0D 11 5,-0.5 -6,-0.3 -2,-0.4 3,-0.1 -0.278 40.9 173.9 -54.9 132.1 49.9 55.2 27.9 57 189 A Q E + 0 0 96 -8,-3.5 2,-0.3 1,-0.4 -7,-0.2 0.753 59.9 11.3-112.6 -39.7 51.9 58.3 27.3 58 190 A E E >> S-G 49 0D 44 -9,-1.8 4,-1.0 -11,-0.1 -9,-0.7 -0.902 105.7 -0.6-137.0 160.9 53.7 59.0 30.6 59 191 A G H >> S- 0 0 9 -2,-0.3 4,-2.2 1,-0.2 3,-0.6 -0.106 119.3 -21.8 65.9-149.7 54.4 57.2 34.0 60 192 A L H 3> S+ 0 0 4 -14,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.737 131.9 67.5 -70.2 -24.7 53.1 53.7 34.7 61 193 A E H <4 S+ 0 0 1 -14,-2.6 -5,-0.5 -3,-0.6 -1,-0.2 0.914 109.7 38.7 -54.1 -44.2 50.4 54.1 32.1 62 194 A L H X< S+ 0 0 78 -4,-1.0 3,-1.5 -3,-0.6 4,-0.3 0.960 119.9 42.4 -68.5 -58.2 53.3 54.1 29.6 63 195 A S H 3< S+ 0 0 50 -4,-2.2 3,-0.3 1,-0.3 -2,-0.2 0.795 120.4 41.9 -71.3 -26.2 55.5 51.4 31.2 64 196 A L T >X S+ 0 0 22 -4,-2.6 4,-2.7 -5,-0.2 3,-0.7 0.273 81.4 117.1 -98.6 9.8 52.7 49.0 32.0 65 197 A E H <> + 0 0 29 -3,-1.5 4,-2.5 1,-0.2 5,-0.3 0.829 68.4 56.7 -42.0 -50.0 51.0 49.6 28.6 66 198 A D H 3> S+ 0 0 158 -3,-0.3 4,-0.6 -4,-0.3 -1,-0.2 0.887 117.5 31.8 -58.3 -43.4 51.3 46.0 27.5 67 199 A S H <4 S+ 0 0 47 -3,-0.7 34,-3.3 2,-0.1 -1,-0.2 0.846 121.1 50.7 -83.4 -33.7 49.5 44.5 30.4 68 200 A L H < S+ 0 0 0 -4,-2.7 -54,-3.1 32,-0.3 32,-0.3 0.895 103.5 56.1 -67.7 -45.8 47.1 47.4 31.1 69 201 A Y H < S- 0 0 44 -4,-2.5 31,-0.5 -5,-0.2 2,-0.2 0.860 81.0-167.6 -61.5 -44.4 45.7 47.9 27.5 70 202 A G < - 0 0 14 -4,-0.6 2,-0.4 -5,-0.3 29,-0.2 -0.575 36.8 -58.3 83.2-152.2 44.3 44.4 26.8 71 203 A E B -H 98 0E 118 27,-3.5 27,-2.8 -2,-0.2 -59,-0.1 -0.919 45.4-136.8-135.9 109.0 43.2 43.4 23.2 72 204 A D - 0 0 73 -2,-0.4 2,-0.2 25,-0.2 24,-0.0 -0.203 20.8-155.6 -51.7 147.6 40.5 45.2 21.3 73 205 A G E -A 9 0A 8 -64,-3.4 -64,-2.8 24,-0.1 2,-0.3 -0.582 6.8-161.0-114.6-172.3 38.0 43.1 19.4 74 206 A A E -AB 8 95A 21 21,-1.5 21,-2.6 -66,-0.3 2,-0.3 -0.981 7.7-159.7-162.3 161.2 35.9 43.8 16.4 75 207 A E E -A 7 0A 64 -68,-1.8 -68,-3.3 -2,-0.3 2,-0.5 -0.990 22.6-122.3-150.0 149.6 32.8 42.6 14.5 76 208 A V E +A 6 0A 13 13,-0.5 13,-2.2 -2,-0.3 2,-0.3 -0.804 37.9 175.4 -94.9 128.0 31.5 43.0 11.0 77 209 A V E -AC 5 88A 4 -72,-3.1 -72,-3.0 -2,-0.5 2,-0.5 -0.893 33.4-131.1-127.2 155.8 28.1 44.6 10.7 78 210 A L E +AC 4 87A 13 9,-2.7 8,-3.4 -2,-0.3 9,-1.6 -0.964 38.0 176.7 -97.1 126.1 25.7 45.9 8.0 79 211 A R E -AC 3 85A 66 -76,-2.8 -76,-2.8 -2,-0.5 6,-0.2 -0.737 22.6-125.3-120.5 168.9 24.6 49.4 8.9 80 212 A D > - 0 0 21 4,-1.1 3,-1.3 -2,-0.2 -78,-0.2 -0.574 40.7 -88.1-105.6-179.4 22.3 52.0 7.3 81 213 A R T 3 S+ 0 0 188 -80,-0.3 -79,-0.1 1,-0.3 -2,-0.0 0.697 128.2 50.7 -65.7 -19.7 23.0 55.6 6.3 82 214 A Q T 3 S- 0 0 147 -81,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.616 122.8-106.0 -88.2 -14.2 21.9 56.9 9.8 83 215 A G < + 0 0 31 -3,-1.3 2,-0.5 1,-0.3 -2,-0.1 0.541 67.1 149.0 104.0 10.4 24.2 54.4 11.4 84 216 A N - 0 0 90 1,-0.1 -4,-1.1 2,-0.0 -1,-0.3 -0.654 52.0-117.6 -78.1 124.8 21.6 51.8 12.7 85 217 A I E +C 79 0A 97 -2,-0.5 -6,-0.3 -6,-0.2 3,-0.1 -0.455 36.5 174.0 -63.8 127.8 22.9 48.3 12.8 86 218 A V E + 0 0 64 -8,-3.4 2,-0.3 1,-0.4 -7,-0.2 0.667 60.6 5.6-110.0 -29.4 20.8 46.2 10.4 87 219 A D E -C 78 0A 76 -9,-1.6 -9,-2.7 2,-0.0 2,-0.5 -0.981 57.0-132.3-162.5 144.1 22.7 42.9 10.5 88 220 A S E -C 77 0A 77 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.922 34.1-145.5-100.0 122.8 25.5 41.0 12.2 89 221 A L - 0 0 52 -13,-2.2 -13,-0.5 -2,-0.5 2,-0.1 -0.735 14.3-115.2-100.7 132.8 27.7 39.3 9.6 90 222 A D + 0 0 170 -2,-0.4 -1,-0.1 -15,-0.1 -15,-0.0 -0.416 53.3 152.4 -53.4 127.6 29.5 36.0 9.9 91 223 A S > - 0 0 31 -2,-0.1 3,-1.4 3,-0.1 -15,-0.1 -0.919 55.8-135.9-163.3 139.3 33.3 36.7 9.7 92 224 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.583 108.2 67.2 -65.7 -11.4 36.6 35.3 10.9 93 225 A R T 3 S+ 0 0 139 2,-0.0 2,-0.7 -20,-0.0 -19,-0.2 0.585 72.1 106.2 -84.1 -14.4 37.4 38.9 11.9 94 226 A N < + 0 0 56 -3,-1.4 2,-0.4 -21,-0.1 -19,-0.2 -0.613 50.4 166.0 -68.0 109.9 34.6 38.8 14.6 95 227 A K B -B 74 0A 129 -21,-2.6 -21,-1.5 -2,-0.7 -86,-0.1 -0.993 36.6-124.9-135.0 133.5 36.7 38.7 17.8 96 228 A A - 0 0 80 -2,-0.4 2,-0.1 -23,-0.2 -85,-0.1 -0.526 35.9-113.1 -71.4 141.2 35.7 39.2 21.4 97 229 A P - 0 0 49 0, 0.0 2,-0.6 0, 0.0 -25,-0.2 -0.429 18.3-141.1 -70.6 149.7 37.9 41.9 23.3 98 230 A Q B -H 71 0E 129 -27,-2.8 -27,-3.5 -2,-0.1 -87,-0.1 -0.971 22.2-132.1-111.9 116.5 40.2 40.9 26.1 99 231 A N - 0 0 103 -2,-0.6 -29,-0.3 -29,-0.2 -86,-0.2 -0.218 28.1 -95.5 -62.5 152.8 40.2 43.4 28.9 100 232 A G - 0 0 12 -88,-2.8 2,-0.3 -31,-0.5 -32,-0.3 -0.124 41.2 -95.8 -61.1 163.1 43.5 44.7 30.4 101 233 A K - 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0 0 12 -4,-0.9 2,-0.4 -5,-0.3 -3,-0.2 0.936 34.2-161.9 66.5 50.6 78.6 65.2 59.7 231 363 A S >< - 0 0 0 -5,-1.7 4,-2.0 -6,-0.2 -1,-0.2 -0.521 23.8-167.8 -75.4 118.2 82.4 65.6 59.3 232 364 A N H > S+ 0 0 36 -2,-0.4 4,-2.8 2,-0.2 5,-0.2 0.883 92.7 53.0 -65.6 -43.0 83.7 65.9 55.8 233 365 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.969 112.8 43.1 -55.8 -53.1 87.3 65.5 57.1 234 366 A G H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.849 115.7 47.7 -66.5 -38.1 86.4 62.3 59.0 235 367 A T H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.926 113.0 48.2 -66.3 -46.8 84.3 60.8 56.2 236 368 A S H X S+ 0 0 2 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.864 109.4 53.3 -64.7 -35.7 87.0 61.5 53.6 237 369 A K H < S+ 0 0 55 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.879 109.8 48.2 -64.3 -37.6 89.7 60.0 55.8 238 370 A L H >< S+ 0 0 0 -4,-1.4 3,-1.3 1,-0.2 -2,-0.2 0.918 111.1 49.1 -70.3 -44.2 87.7 56.8 56.2 239 371 A S H >< S+ 0 0 1 -4,-2.3 3,-2.1 1,-0.2 -1,-0.2 0.880 102.8 65.2 -55.3 -38.9 87.1 56.6 52.4 240 372 A A T 3< S+ 0 0 68 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.590 85.5 70.4 -65.9 -11.0 90.9 57.1 52.0 241 373 A R T < S+ 0 0 82 -3,-1.3 2,-0.3 -4,-0.3 -1,-0.3 0.464 96.7 65.9 -83.8 -0.5 91.6 53.8 53.7 242 374 A F S < S- 0 0 7 -3,-2.1 2,-0.1 -4,-0.1 -54,-0.0 -0.902 88.3-116.3-114.9 148.9 90.2 52.2 50.5 243 375 A G > - 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