==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 17-MAR-10 3M7V . COMPND 2 MOLECULE: PHOSPHOPENTOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR A.A.FEDOROV,J.BONANNO,E.V.FEDOROV,S.K.BURLEY,S.C.ALMO,NEW YO . 802 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30273.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 532 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 8.1 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 . 2 0.2 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 . 46 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.7 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 3 3 2 2 3 1 2 2 1 3 0 2 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 6 0 1 1 2 4 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 3 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 1 1 0 0 0 2 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 3 A T 0 0 90 0, 0.0 2,-0.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -55.9 27.9 25.2 -4.7 2 4 A F - 0 0 5 1,-0.1 328,-0.2 329,-0.0 284,-0.1 -0.834 360.0-152.1 -86.1 131.8 25.2 27.7 -3.6 3 5 A N S S+ 0 0 57 326,-2.1 283,-2.1 -2,-0.5 2,-0.3 0.853 79.4 17.5 -75.0 -33.0 26.7 31.1 -3.5 4 6 A R E -ab 286 330A 1 325,-1.0 327,-2.4 281,-0.2 2,-0.4 -0.984 64.6-159.5-133.3 149.8 24.3 32.3 -0.8 5 7 A I E -ab 287 331A 0 281,-2.0 283,-2.6 -2,-0.3 2,-0.5 -1.000 4.4-165.1-128.5 127.5 22.1 30.4 1.7 6 8 A H E -ab 288 332A 0 325,-2.9 327,-2.8 -2,-0.4 2,-0.5 -0.975 6.6-166.9-114.6 112.7 19.1 32.1 3.3 7 9 A L E -ab 289 333A 0 281,-3.1 283,-2.9 -2,-0.5 2,-0.5 -0.907 2.1-168.3-104.8 123.4 17.7 30.3 6.4 8 10 A V E -ab 290 334A 1 325,-3.1 327,-2.9 -2,-0.5 2,-0.6 -0.974 5.9-158.9-115.2 124.2 14.3 31.4 7.7 9 11 A V E -ab 291 335A 0 281,-3.2 283,-3.0 -2,-0.5 2,-1.0 -0.932 5.8-158.9-101.8 117.3 13.0 30.1 11.0 10 12 A L E > -a 292 0A 5 325,-3.0 3,-1.9 -2,-0.6 327,-0.3 -0.866 37.6-123.6 -89.7 100.5 9.2 30.4 11.4 11 13 A D T 3 S- 0 0 0 281,-2.3 285,-0.2 -2,-1.0 3,-0.1 -0.318 81.0 -2.7 -63.0 121.5 9.5 30.3 15.2 12 14 A S T 3 S+ 0 0 0 1,-0.2 2,-2.0 326,-0.2 328,-0.6 0.410 81.4 145.8 85.4 6.0 7.4 27.4 16.7 13 15 A V < - 0 0 4 -3,-1.9 326,-0.2 326,-0.2 -1,-0.2 -0.472 29.5-178.5 -82.4 84.4 5.9 26.1 13.5 14 16 A G - 0 0 0 -2,-2.0 23,-2.3 340,-0.2 340,-0.2 -0.275 29.1-156.0 -82.9 160.1 5.8 22.4 14.4 15 17 A I - 0 0 1 338,-2.5 339,-0.1 1,-0.4 2,-0.1 0.009 67.3 -40.8-129.3 29.0 4.6 19.5 12.3 16 18 A G S S- 0 0 11 337,-0.4 337,-2.7 45,-0.1 -1,-0.4 -0.162 78.3 -54.8 127.8 147.8 3.6 17.0 14.9 17 19 A A B -I 352 0B 27 17,-2.3 335,-0.3 335,-0.3 15,-0.1 -0.146 55.4-125.2 -49.3 134.2 4.7 15.5 18.2 18 20 A A > - 0 0 8 333,-2.3 3,-2.1 1,-0.1 4,-0.2 -0.325 26.2-103.5 -76.7 163.2 8.3 14.1 18.3 19 21 A P T 3 S+ 0 0 86 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.844 125.2 43.3 -55.1 -34.2 9.1 10.5 19.3 20 22 A D T > S+ 0 0 41 1,-0.2 3,-2.0 2,-0.1 4,-0.2 0.190 79.6 119.4 -98.0 22.5 10.3 11.8 22.7 21 23 A A G X + 0 0 1 -3,-2.1 3,-2.0 1,-0.3 10,-1.1 0.805 64.0 62.7 -59.7 -38.7 7.4 14.2 23.1 22 24 A N G 3 S+ 0 0 108 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.596 88.6 70.3 -69.6 -5.4 6.1 12.7 26.3 23 25 A N G < S+ 0 0 134 -3,-2.0 2,-0.3 7,-0.1 -1,-0.3 0.483 100.3 60.8 -77.8 -5.0 9.4 13.5 28.1 24 26 A F S < S- 0 0 29 -3,-2.0 7,-2.3 -4,-0.2 2,-0.3 -0.851 72.7-166.6-123.0 155.8 8.1 17.1 27.8 25 27 A S E -J 30 0C 63 -2,-0.3 2,-0.4 5,-0.3 -2,-0.0 -0.921 23.7-147.0-144.9 169.8 5.0 18.7 29.2 26 28 A N E > S-J 29 0C 3 3,-2.2 3,-2.4 -2,-0.3 320,-0.1 -0.952 90.4 -25.8-140.5 108.4 2.5 21.6 29.3 27 29 A A T 3 S- 0 0 91 -2,-0.4 319,-0.1 1,-0.3 -1,-0.0 0.885 131.1 -45.0 47.4 45.2 0.9 22.4 32.6 28 30 A G T 3 S+ 0 0 67 1,-0.2 -1,-0.3 317,-0.1 318,-0.0 0.299 116.8 115.7 90.1 -11.3 1.5 18.8 33.6 29 31 A V E < -J 26 0C 61 -3,-2.4 -3,-2.2 2,-0.0 -1,-0.2 -0.816 68.5-121.3 -97.6 122.2 0.2 17.3 30.3 30 32 A P E > -J 25 0C 61 0, 0.0 3,-0.5 0, 0.0 -5,-0.3 -0.262 18.5-124.0 -60.5 152.9 2.8 15.5 28.3 31 33 A D G > S+ 0 0 0 -7,-2.3 3,-2.1 -10,-1.1 -9,-0.2 0.400 79.8 106.9 -80.2 2.6 3.5 16.8 24.7 32 34 A G G 3 S+ 0 0 33 1,-0.3 -1,-0.2 -8,-0.3 -15,-0.1 0.545 77.5 51.1 -69.2 -9.0 2.7 13.6 22.8 33 35 A A G < S+ 0 0 65 -3,-0.5 -1,-0.3 -12,-0.1 -2,-0.1 0.472 86.0 119.2 -97.1 -3.6 -0.6 14.8 21.4 34 36 A S < + 0 0 3 -3,-2.1 -17,-2.3 317,-0.1 2,-0.1 -0.186 25.8 159.4 -67.5 155.2 0.8 18.1 20.0 35 37 A D > - 0 0 20 -19,-0.3 4,-2.6 317,-0.1 5,-0.3 -0.457 14.9-172.1-175.4 87.2 0.7 19.0 16.3 36 38 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.971 86.3 33.0 -60.5 -61.6 1.0 22.7 15.6 37 39 A L H > S+ 0 0 3 -23,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.905 121.9 48.9 -61.8 -42.8 0.3 22.8 11.8 38 40 A G H > S+ 0 0 4 2,-0.2 4,-1.9 1,-0.2 28,-0.3 0.869 112.1 46.3 -68.5 -36.9 -2.1 19.8 11.9 39 41 A H H X S+ 0 0 46 -4,-2.6 4,-1.0 2,-0.2 5,-0.2 0.861 113.7 49.5 -76.9 -34.7 -4.3 21.1 14.8 40 42 A I H >X>S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.3 5,-1.3 0.976 112.1 49.0 -58.9 -55.6 -4.4 24.6 13.2 41 43 A S H 3<5S+ 0 0 3 -4,-2.5 4,-0.4 1,-0.3 -2,-0.2 0.869 113.0 46.4 -53.2 -41.4 -5.4 23.1 9.9 42 44 A K H 3<5S+ 0 0 141 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.629 121.9 33.8 -79.2 -19.6 -8.2 20.9 11.4 43 45 A T H <<5S+ 0 0 86 -3,-1.0 -2,-0.2 -4,-1.0 -3,-0.2 0.840 137.0 7.6-102.8 -49.6 -9.7 23.7 13.6 44 46 A V T <5S- 0 0 26 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.1 0.471 103.2-115.8-116.0 -5.4 -9.5 27.1 11.9 45 47 A G < - 0 0 18 -5,-1.3 -1,-0.2 -4,-0.4 2,-0.2 -0.178 18.6-129.3 82.9 170.3 -8.2 26.0 8.4 46 48 A L - 0 0 8 -5,-0.2 2,-0.7 21,-0.1 -1,-0.1 -0.777 15.5-174.0-165.6 109.6 -4.9 26.8 6.7 47 49 A N + 0 0 100 -2,-0.2 269,-0.1 262,-0.2 21,-0.1 -0.918 24.1 147.6-111.5 101.0 -4.4 28.2 3.2 48 50 A V > + 0 0 4 -2,-0.7 4,-2.4 19,-0.3 3,-0.2 -0.524 6.8 162.2-133.8 65.8 -0.6 28.2 2.4 49 51 A P H > S+ 0 0 64 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.785 71.8 55.1 -65.0 -27.5 -0.4 27.6 -1.4 50 52 A N H > S+ 0 0 60 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.915 112.7 40.7 -74.8 -39.3 3.1 28.9 -1.8 51 53 A M H >>S+ 0 0 6 -3,-0.2 5,-2.5 2,-0.2 4,-2.5 0.856 113.2 57.0 -70.2 -33.0 4.6 26.6 0.8 52 54 A A H <5S+ 0 0 14 -4,-2.4 -2,-0.2 3,-0.3 -1,-0.2 0.910 104.2 52.5 -64.1 -40.2 2.4 23.8 -0.6 53 55 A K H <5S+ 0 0 82 -4,-2.0 22,-1.7 1,-0.2 23,-0.4 0.881 108.2 49.2 -64.0 -39.8 3.9 24.3 -4.0 54 56 A I H <5S- 0 0 3 -4,-1.5 22,-1.4 20,-0.2 313,-0.3 0.909 134.8 -94.3 -63.5 -42.3 7.4 23.9 -2.6 55 57 A G T >X5S+ 0 0 0 -4,-2.5 3,-2.7 19,-0.1 4,-0.6 0.566 74.3 145.0 143.2 24.7 6.0 20.8 -0.9 56 58 A L G >4 - 0 0 10 3,-0.3 3,-1.0 1,-0.1 -27,-0.1 -0.468 40.7-131.9 -54.3 125.7 -2.6 18.2 7.0 66 68 A K T 3 S+ 0 0 154 -28,-0.3 -1,-0.1 1,-0.3 -28,-0.1 0.858 97.7 23.9 -59.5 -38.9 -6.3 18.6 6.5 67 69 A T T 3 S+ 0 0 54 1,-0.1 -19,-0.3 -29,-0.1 -1,-0.3 0.097 105.0 81.1-119.5 17.8 -6.1 21.7 4.2 68 70 A V S < S- 0 0 5 -3,-1.0 -3,-0.3 -21,-0.1 -1,-0.1 -0.814 70.2-157.0-125.6 85.9 -2.6 21.4 2.7 69 71 A P - 0 0 97 0, 0.0 -12,-0.4 0, 0.0 -11,-0.1 -0.200 25.1 -96.0 -60.5 153.4 -2.8 18.9 -0.2 70 72 A A - 0 0 67 -13,-0.1 2,-0.5 -14,-0.1 -12,-0.1 -0.323 34.9-134.8 -58.9 150.8 0.1 16.9 -1.5 71 73 A E - 0 0 50 -19,-0.1 -1,-0.0 -16,-0.1 -13,-0.0 -0.966 13.9-167.0-118.8 109.8 1.8 18.5 -4.6 72 74 A N S S+ 0 0 144 -2,-0.5 -1,-0.1 1,-0.3 -19,-0.0 0.658 90.4 39.8 -71.3 -18.6 2.6 16.1 -7.4 73 75 A H S S+ 0 0 143 294,-0.0 -1,-0.3 -20,-0.0 -18,-0.0 -0.566 85.2 178.2-125.6 67.4 4.8 18.7 -9.2 74 76 A P - 0 0 10 0, 0.0 -20,-0.2 0, 0.0 -19,-0.1 -0.266 28.6-146.0 -73.5 159.8 6.7 20.3 -6.3 75 77 A T S S+ 0 0 52 -22,-1.7 285,-0.4 291,-0.1 -21,-0.2 0.577 75.5 25.3-100.1 -12.2 9.2 23.1 -6.9 76 78 A G S S- 0 0 0 -22,-1.4 291,-2.5 -23,-0.4 2,-0.4 -0.608 81.4 -92.1-134.5-167.4 11.5 22.1 -3.9 77 79 A Y E +Cd 358 367A 36 281,-1.9 281,-2.4 289,-0.2 2,-0.3 -0.938 42.9 179.0-113.6 136.5 12.7 19.4 -1.5 78 80 A V E +Cd 357 368A 0 289,-1.7 291,-2.9 -2,-0.4 2,-0.3 -0.932 13.9 139.2-134.8 157.2 11.0 18.9 1.8 79 81 A T E -C 356 0A 2 277,-1.8 277,-2.3 -2,-0.3 2,-0.3 -0.916 43.1 -98.3-166.2-168.4 11.2 16.8 4.9 80 82 A K E -C 355 0A 23 -2,-0.3 292,-2.4 275,-0.2 2,-0.4 -0.954 27.2-145.1-125.3 157.0 10.9 17.0 8.7 81 83 A L E -Ce 354 372A 1 273,-2.6 273,-2.3 -2,-0.3 2,-0.4 -0.941 6.8-140.1-126.5 142.6 13.7 17.3 11.2 82 84 A E E - e 0 373A 47 290,-2.1 292,-1.6 -2,-0.4 2,-0.3 -0.829 18.6-123.0-109.6 134.7 13.9 15.8 14.8 83 85 A E - 0 0 3 -2,-0.4 10,-0.0 269,-0.2 254,-0.0 -0.609 22.8-178.1 -79.4 133.1 15.4 17.6 17.8 84 86 A V + 0 0 56 -2,-0.3 -1,-0.1 3,-0.0 17,-0.1 0.734 54.8 93.6 -96.5 -40.1 18.2 15.8 19.6 85 87 A S S S- 0 0 0 15,-0.2 18,-0.2 1,-0.1 16,-0.0 -0.222 82.6-120.3 -59.5 155.4 18.9 18.3 22.4 86 88 A L S S+ 0 0 90 16,-2.3 2,-0.3 2,-0.0 -1,-0.1 0.210 86.9 73.2 -87.5 15.7 17.1 17.8 25.7 87 89 A G - 0 0 4 15,-0.3 15,-0.1 2,-0.1 -2,-0.1 -0.920 56.2-160.2-128.4 157.8 15.3 21.1 25.6 88 90 A K + 0 0 19 -2,-0.3 262,-0.1 261,-0.1 2,-0.1 0.123 57.6 116.4-119.3 18.2 12.4 22.6 23.7 89 91 A D S > S- 0 0 12 17,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.324 78.1-105.3 -81.0 166.5 13.2 26.3 24.3 90 92 A T H > S+ 0 0 8 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.881 116.3 48.9 -60.9 -44.3 14.2 28.9 21.6 91 93 A M H > S+ 0 0 18 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.942 111.6 48.4 -65.9 -49.7 17.9 29.0 22.4 92 94 A T H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.926 112.4 49.3 -54.0 -48.2 18.4 25.2 22.4 93 95 A G H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.900 114.4 43.0 -63.8 -41.8 16.5 24.9 19.1 94 96 A H H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.910 112.8 52.8 -71.4 -43.3 18.5 27.6 17.3 95 97 A W H <>S+ 0 0 4 -4,-2.7 5,-2.5 -5,-0.2 -2,-0.2 0.881 112.6 45.8 -58.7 -39.8 21.8 26.4 18.8 96 98 A E H ><5S+ 0 0 0 -4,-2.4 3,-1.8 3,-0.3 282,-0.3 0.865 105.2 58.6 -70.6 -39.6 21.1 22.9 17.5 97 99 A I H 3<5S+ 0 0 0 -4,-2.0 281,-1.3 1,-0.3 -2,-0.2 0.874 109.8 47.1 -56.6 -32.6 20.0 24.2 14.1 98 100 A M T 3<5S- 0 0 0 -4,-1.7 133,-2.7 279,-0.1 -1,-0.3 0.261 135.7 -85.7 -96.6 11.7 23.5 25.6 14.0 99 101 A G T < 5S+ 0 0 0 -3,-1.8 293,-1.9 1,-0.3 292,-1.3 0.454 81.8 126.6 109.5 5.2 25.1 22.4 15.1 100 102 A L < - 0 0 0 -5,-2.5 2,-0.6 291,-0.2 -1,-0.3 -0.647 46.8-144.1 -93.8 150.4 25.2 22.1 18.9 101 103 A N - 0 0 32 -2,-0.3 2,-0.8 -17,-0.1 -9,-0.0 -0.964 18.6-158.8-107.2 109.9 23.9 19.2 21.1 102 104 A I + 0 0 1 -2,-0.6 -16,-2.3 1,-0.1 -15,-0.3 -0.874 25.5 162.2 -97.3 111.6 22.5 20.7 24.2 103 105 A T S S+ 0 0 23 -2,-0.8 -1,-0.1 526,-0.3 527,-0.1 0.408 70.1 62.6-106.2 -2.5 22.3 18.2 27.1 104 106 A E S S- 0 0 107 525,-0.1 -1,-0.2 -17,-0.0 3,-0.1 -0.809 84.4-157.6-119.9 81.9 22.0 20.8 29.9 105 107 A P - 0 0 22 0, 0.0 92,-0.2 0, 0.0 -2,-0.0 -0.379 21.9-104.1 -70.0 142.9 18.7 22.4 28.9 106 108 A F - 0 0 15 1,-0.1 2,-0.3 90,-0.1 92,-0.2 -0.359 38.1-119.6 -59.6 138.0 18.0 25.9 30.1 107 109 A D - 0 0 31 90,-2.2 2,-0.3 57,-0.1 92,-0.2 -0.636 23.2-159.5 -81.9 139.9 15.5 26.0 33.0 108 110 A T - 0 0 51 -2,-0.3 2,-0.3 56,-0.1 3,-0.1 -0.854 5.7-150.3-114.9 157.9 12.1 27.8 32.6 109 111 A F > + 0 0 22 52,-0.4 3,-1.9 -2,-0.3 51,-0.1 -0.637 24.8 165.6-137.8 71.4 10.1 28.9 35.5 110 112 A W T 3 S+ 0 0 77 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.824 89.7 41.9 -58.8 -33.2 6.4 29.1 35.0 111 113 A N T 3 S- 0 0 161 1,-0.4 -1,-0.3 24,-0.1 23,-0.1 0.029 124.7-100.9-102.5 24.0 5.8 29.3 38.8 112 114 A G < - 0 0 8 -3,-1.9 -1,-0.4 21,-0.1 23,-0.2 -0.123 57.5 -38.9 89.5 177.6 8.7 31.8 39.3 113 115 A F - 0 0 8 45,-0.1 83,-0.1 1,-0.1 21,-0.0 -0.494 68.7-107.6 -74.6 145.6 12.2 31.3 40.5 114 116 A P >> - 0 0 57 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.262 29.6-102.0 -72.5 163.8 12.7 28.9 43.4 115 117 A E H 3> S+ 0 0 106 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.763 117.5 62.2 -53.1 -35.6 13.6 29.9 47.0 116 118 A E H 3> S+ 0 0 114 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.907 110.6 39.9 -61.7 -40.7 17.3 29.0 46.7 117 119 A I H <> S+ 0 0 4 -3,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.953 120.2 42.4 -73.3 -50.1 17.7 31.7 43.9 118 120 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.946 113.7 52.1 -61.2 -51.3 15.4 34.4 45.5 119 121 A S H X S+ 0 0 55 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.884 110.7 49.7 -53.2 -43.0 16.8 33.8 49.0 120 122 A K H X S+ 0 0 68 -4,-1.4 4,-2.6 -5,-0.3 -1,-0.2 0.887 110.7 47.3 -62.9 -44.2 20.4 34.2 47.7 121 123 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 6,-0.4 0.878 112.0 52.0 -68.9 -36.6 19.7 37.4 45.8 122 124 A E H X>S+ 0 0 21 -4,-2.6 4,-2.4 2,-0.2 5,-0.6 0.929 112.5 44.4 -61.7 -47.3 17.9 38.8 48.9 123 125 A K H <5S+ 0 0 83 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.923 116.2 46.4 -68.2 -42.9 20.9 38.0 51.1 124 126 A F H <5S+ 0 0 48 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.931 122.2 35.5 -61.8 -45.8 23.4 39.4 48.6 125 127 A S H <5S- 0 0 17 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.737 94.6-133.4 -81.4 -27.2 21.5 42.6 47.9 126 128 A G T <5S+ 0 0 70 -4,-2.4 2,-0.4 1,-0.3 -3,-0.2 0.606 73.3 111.4 75.0 14.5 20.1 43.3 51.4 127 129 A R < - 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