==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 10-AUG-13 4M6Q . COMPND 2 MOLECULE: NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.M.GIANNETTI,X.ZHENG,N.SKELTON,W.WANG,B.BRAVO,Y.FENG,J.GUNZ . 941 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33739.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 648 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 11.3 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 43 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 252 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.4 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 4 4 2 1 3 2 0 6 0 2 1 3 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 6 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 PARALLEL BRIDGES PER LADDER . 2 4 2 6 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 2 0 0 0 4 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 8 A E 0 0 212 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.1 33.0 -1.0 30.6 2 9 A F - 0 0 62 2,-0.0 2,-0.5 1,-0.0 5,-0.0 -0.538 360.0-160.7 -82.0 140.5 30.2 -3.6 30.7 3 10 A N > - 0 0 8 -2,-0.2 3,-2.6 1,-0.1 4,-0.1 -0.913 11.5-161.8-127.8 106.1 29.7 -5.8 33.8 4 11 A I G > S+ 0 0 1 55,-0.5 3,-1.1 -2,-0.5 -1,-0.1 0.744 92.8 64.5 -56.3 -24.2 27.7 -9.0 33.5 5 12 A L G 3 S+ 0 0 0 54,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.639 108.4 40.6 -74.5 -13.2 27.3 -9.0 37.3 6 13 A L G < S+ 0 0 18 -3,-2.6 -1,-0.2 1,-0.1 -2,-0.2 0.124 94.3 87.6-117.3 17.1 25.3 -5.7 37.0 7 14 A A S < S+ 0 0 1 -3,-1.1 2,-0.3 672,-0.1 129,-0.3 -0.259 74.0 79.3-111.6 44.2 23.3 -6.7 33.8 8 15 A T S S- 0 0 0 -3,-0.1 671,-0.8 127,-0.1 2,-0.2 -0.925 91.0 -81.8-142.0 163.3 20.4 -8.5 35.4 9 16 A D B > -A 678 0A 3 -2,-0.3 3,-1.6 123,-0.2 4,-0.5 -0.540 48.1-119.8 -64.5 134.7 17.1 -7.6 37.1 10 17 A S G > S+ 0 0 0 667,-1.9 3,-2.3 1,-0.3 4,-0.3 0.856 108.7 57.8 -45.2 -50.5 17.8 -6.8 40.8 11 18 A Y G > S+ 0 0 24 1,-0.3 3,-1.8 2,-0.2 691,-0.4 0.774 92.4 70.2 -59.5 -24.7 15.7 -9.5 42.4 12 19 A K G X S+ 0 0 5 -3,-1.6 3,-1.2 1,-0.3 4,-0.4 0.745 84.4 70.9 -63.2 -23.0 17.7 -12.1 40.4 13 20 A V G < S+ 0 0 0 -3,-2.3 69,-0.3 -4,-0.5 -1,-0.3 0.780 102.1 44.3 -59.0 -26.4 20.6 -11.3 42.7 14 21 A T G X S+ 0 0 0 -3,-1.8 3,-0.8 -4,-0.3 -1,-0.2 0.382 88.4 91.8-102.3 3.7 18.6 -13.0 45.5 15 22 A H G X> + 0 0 7 -3,-1.2 3,-1.8 1,-0.2 4,-0.9 0.737 67.6 72.1 -77.2 -25.2 17.5 -16.1 43.6 16 23 A Y G 34 S+ 0 0 40 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.748 98.9 51.6 -63.4 -23.4 20.4 -18.5 44.5 17 24 A K G <4 S+ 0 0 59 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.490 106.5 55.8 -86.4 -5.3 18.9 -18.7 48.0 18 25 A Q T <4 S+ 0 0 0 -3,-1.8 -2,-0.2 -4,-0.1 -1,-0.2 0.595 80.1 95.3-110.4 -14.6 15.4 -19.6 46.8 19 26 A Y S < S- 0 0 7 -4,-0.9 688,-0.1 1,-0.1 4,-0.1 -0.364 92.5 -82.6 -69.8 157.6 15.9 -22.6 44.6 20 27 A P > - 0 0 9 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.400 53.0-101.9 -59.9 137.5 15.4 -26.0 46.2 21 28 A P T 3 S+ 0 0 74 0, 0.0 3,-0.1 0, 0.0 -4,-0.0 -0.270 109.0 33.7 -52.5 150.1 18.4 -27.2 48.2 22 29 A N T 3 S+ 0 0 106 1,-0.2 370,-2.6 369,-0.1 2,-0.6 0.711 80.2 151.9 67.2 24.4 20.4 -29.9 46.2 23 30 A T E < +B 391 0B 11 -3,-0.8 104,-0.3 368,-0.2 368,-0.3 -0.792 13.2 166.7 -86.6 120.5 19.6 -28.3 42.9 24 31 A S E + 0 0 38 366,-2.8 2,-0.3 -2,-0.6 102,-0.2 0.519 60.8 35.6-110.1 -12.5 22.4 -29.1 40.4 25 32 A K E -B 390 0B 48 365,-1.1 365,-2.0 100,-0.1 2,-0.4 -0.981 50.7-173.1-149.7 133.1 20.7 -28.0 37.2 26 33 A V E -B 389 0B 0 -2,-0.3 95,-0.9 363,-0.2 2,-0.5 -0.998 13.9-168.7-123.5 125.5 18.3 -25.3 35.9 27 34 A Y E +BC 388 120B 11 361,-2.8 360,-2.3 -2,-0.4 361,-1.8 -0.966 9.6 176.0-122.6 123.1 17.1 -25.6 32.4 28 35 A S E -BC 386 119B 0 91,-3.0 91,-3.2 -2,-0.5 2,-0.3 -0.900 10.9-160.4-130.3 154.6 15.3 -22.8 30.7 29 36 A Y E -BC 385 118B 1 356,-2.8 356,-2.2 -2,-0.3 2,-0.4 -0.879 10.5-139.2-130.9 163.5 13.9 -22.1 27.2 30 37 A F E +BC 384 117B 0 87,-2.6 86,-2.9 -2,-0.3 87,-1.0 -0.967 28.1 162.3-122.7 139.7 12.8 -19.1 25.2 31 38 A E E -BC 383 115B 4 352,-2.2 352,-2.6 -2,-0.4 2,-1.1 -0.988 47.0-119.8-150.0 156.9 9.7 -18.9 23.0 32 39 A C E -B 382 0B 2 82,-0.6 81,-1.9 -2,-0.3 350,-0.3 -0.765 52.8-133.2 -93.9 84.4 7.4 -16.5 21.2 33 40 A R - 0 0 32 348,-1.9 2,-0.2 -2,-1.1 79,-0.1 0.027 12.4-114.1 -49.1 137.6 4.4 -17.8 23.1 34 41 A E - 0 0 130 78,-0.1 2,-0.4 77,-0.1 -1,-0.1 -0.484 28.1-144.7 -72.9 140.1 1.2 -18.6 21.1 35 42 A K 0 0 114 -2,-0.2 77,-0.0 373,-0.0 -1,-0.0 -0.895 360.0 360.0-111.9 138.4 -1.8 -16.4 21.9 36 43 A K 0 0 115 -2,-0.4 371,-0.0 0, 0.0 -2,-0.0 -0.495 360.0 360.0 -67.9 360.0 -5.5 -17.6 21.9 37 ! 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 38 53 A K 0 0 204 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -39.8 -1.4 -11.6 13.3 39 54 A Y + 0 0 30 1,-0.1 73,-0.1 109,-0.1 110,-0.1 0.973 360.0 168.9 59.0 65.6 2.3 -12.6 13.3 40 55 A E + 0 0 135 1,-0.1 72,-2.1 71,-0.1 2,-0.3 0.686 64.7 38.8 -83.8 -17.8 2.0 -16.4 13.1 41 56 A E E S-H 111 0C 45 70,-0.3 2,-0.4 107,-0.1 -1,-0.1 -0.982 72.5-151.4-135.6 145.6 5.6 -16.9 12.4 42 57 A T E -H 110 0C 1 68,-2.8 68,-2.2 -2,-0.3 2,-0.5 -0.888 14.1-128.3-121.6 144.9 8.7 -15.2 13.8 43 58 A V E -H 109 0C 1 101,-0.5 2,-1.0 -2,-0.4 105,-0.3 -0.791 21.3-139.3 -88.6 129.3 12.2 -14.6 12.4 44 59 A F + 0 0 1 64,-2.2 63,-3.5 -2,-0.5 64,-0.3 -0.785 47.0 135.7 -92.2 104.0 15.0 -15.7 14.8 45 60 A Y + 0 0 1 -2,-1.0 102,-0.1 95,-0.2 100,-0.1 -0.996 39.0 45.8-146.9 141.6 17.6 -13.1 14.7 46 61 A G S > S+ 0 0 2 -2,-0.3 4,-1.4 97,-0.1 3,-0.5 0.098 71.1 100.6 122.4 -23.6 19.8 -11.3 17.2 47 62 A L H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.917 78.2 59.9 -60.0 -46.3 21.2 -13.9 19.6 48 63 A Q H > S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.803 103.7 52.7 -55.7 -33.9 24.6 -14.1 18.0 49 64 A Y H > S+ 0 0 15 -3,-0.5 4,-2.2 2,-0.2 5,-0.3 0.948 110.3 46.2 -64.0 -50.8 25.1 -10.4 18.7 50 65 A I H X>S+ 0 0 11 -4,-1.4 4,-2.6 1,-0.2 5,-0.9 0.943 112.4 51.5 -59.7 -47.2 24.3 -10.8 22.4 51 66 A L H X>S+ 0 0 4 -4,-2.8 5,-1.7 1,-0.2 4,-0.8 0.905 114.9 40.7 -54.9 -48.6 26.5 -13.8 22.7 52 67 A N H <5S+ 0 0 29 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.808 122.1 39.8 -73.1 -31.0 29.6 -12.2 21.2 53 68 A K H <5S+ 0 0 87 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.786 132.7 11.8 -91.7 -28.6 29.2 -8.8 22.9 54 69 A Y H <5S+ 0 0 14 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.680 125.3 39.4-125.1 -27.9 28.1 -9.7 26.4 55 70 A L T < - 0 0 30 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.902 50.4-107.0-135.7 170.2 37.0 -10.4 37.2 62 77 A K H > S+ 0 0 150 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.876 121.5 49.4 -61.4 -37.4 38.1 -9.6 40.7 63 78 A E H > S+ 0 0 126 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.843 109.5 49.9 -74.1 -34.5 37.3 -6.0 40.1 64 79 A K H > S+ 0 0 23 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.843 110.9 49.6 -73.6 -34.2 33.8 -6.7 38.6 65 80 A I H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.929 114.3 44.7 -67.9 -46.0 32.9 -8.9 41.6 66 81 A Q H X S+ 0 0 86 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.923 111.5 53.6 -63.0 -45.8 34.0 -6.2 44.1 67 82 A E H X S+ 0 0 75 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.905 112.1 44.8 -54.0 -46.0 32.3 -3.5 42.1 68 83 A A H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.883 109.5 55.3 -68.2 -40.1 29.0 -5.4 42.2 69 84 A K H X S+ 0 0 60 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.945 110.2 46.7 -57.5 -48.1 29.4 -6.3 45.8 70 85 A D H X S+ 0 0 87 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.906 114.4 47.1 -60.1 -45.7 29.7 -2.6 46.6 71 86 A V H X S+ 0 0 17 -4,-2.0 4,-3.1 1,-0.2 3,-0.3 0.945 113.5 46.2 -62.0 -51.6 26.7 -1.6 44.4 72 87 A Y H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 6,-0.5 0.841 104.6 61.1 -66.6 -34.4 24.3 -4.3 45.8 73 88 A K H X>S+ 0 0 90 -4,-2.2 4,-0.8 -5,-0.3 5,-0.6 0.917 116.2 33.8 -55.7 -43.2 25.2 -3.6 49.4 74 89 A E H <5S+ 0 0 63 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.881 118.0 53.5 -78.8 -39.7 23.9 -0.1 48.9 75 90 A H H <5S+ 0 0 1 -4,-3.1 624,-1.7 1,-0.2 -2,-0.2 0.882 124.5 25.6 -63.4 -41.1 21.1 -1.1 46.4 76 91 A F H <5S- 0 0 17 -4,-3.1 -1,-0.2 2,-0.3 -2,-0.2 0.566 96.9-131.0 -96.6 -12.9 19.7 -3.7 48.8 77 92 A Q T <5S+ 0 0 123 -4,-0.8 2,-0.3 -5,-0.4 -3,-0.2 0.845 85.9 66.8 56.6 36.6 20.8 -2.2 52.1 78 93 A D S + 0 0 17 -69,-0.3 4,-1.7 1,-0.2 5,-0.2 -0.543 42.4 159.5 -82.6 75.4 26.4 -14.2 45.9 83 98 A E H > S+ 0 0 63 -2,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.892 72.5 56.6 -63.3 -41.1 30.1 -13.3 45.9 84 99 A K H > S+ 0 0 177 -3,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.910 106.3 48.5 -55.2 -49.9 31.0 -17.0 46.5 85 100 A G H > S+ 0 0 9 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.898 114.7 43.9 -61.9 -43.7 29.2 -18.2 43.3 86 101 A W H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.833 111.9 53.7 -72.1 -32.3 30.8 -15.6 41.1 87 102 A N H X S+ 0 0 43 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.826 103.4 57.5 -69.9 -31.8 34.2 -16.2 42.6 88 103 A Y H X S+ 0 0 60 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.912 107.1 47.6 -63.0 -43.4 33.9 -19.9 41.9 89 104 A I H X S+ 0 0 0 -4,-1.3 4,-1.6 1,-0.2 6,-1.5 0.881 110.5 52.9 -65.7 -38.4 33.4 -19.1 38.2 90 105 A L H X S+ 0 0 20 -4,-1.7 4,-0.5 4,-0.2 -1,-0.2 0.903 118.0 34.8 -62.5 -41.7 36.4 -16.7 38.3 91 106 A E H < S+ 0 0 156 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.803 122.1 41.9 -87.2 -32.5 38.7 -19.3 39.8 92 107 A K H < S+ 0 0 124 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.804 132.0 18.7 -86.9 -31.3 37.5 -22.5 38.2 93 108 A Y H >< S- 0 0 70 -4,-1.6 3,-1.4 -5,-0.3 -2,-0.2 0.163 102.5-109.2-129.7 16.5 36.9 -21.3 34.6 94 109 A D T 3< S- 0 0 95 -4,-0.5 -4,-0.2 1,-0.3 -3,-0.2 0.872 83.6 -49.2 53.4 40.8 39.0 -18.1 34.3 95 110 A G T 3 S+ 0 0 0 -6,-1.5 -36,-2.0 1,-0.3 -35,-0.6 0.515 102.9 136.7 82.3 5.8 35.8 -16.0 34.3 96 111 A H < - 0 0 32 -3,-1.4 -1,-0.3 -7,-0.4 -38,-0.1 -0.696 59.4-112.8 -88.8 138.7 34.0 -18.0 31.6 97 112 A L - 0 0 0 -42,-0.5 2,-2.5 -40,-0.4 353,-0.6 -0.544 14.8-139.8 -73.8 119.2 30.3 -18.8 32.0 98 113 A P + 0 0 0 0, 0.0 24,-2.2 0, 0.0 25,-0.6 -0.458 62.1 127.5 -75.3 71.8 29.6 -22.5 32.6 99 114 A I E -D 121 0B 0 -2,-2.5 350,-2.3 22,-0.3 2,-0.4 -0.949 48.3-155.4-132.2 141.9 26.6 -22.2 30.4 100 115 A E E -DE 120 448B 25 20,-2.8 20,-1.8 -2,-0.3 2,-0.4 -0.993 11.9-172.8-118.8 131.6 25.3 -24.1 27.3 101 116 A I E -DE 119 447B 0 346,-2.9 345,-2.3 -2,-0.4 346,-1.7 -0.988 3.7-168.1-123.5 128.4 22.9 -22.4 24.9 102 117 A K E +DE 118 445B 62 16,-2.0 16,-2.4 -2,-0.4 2,-0.3 -0.977 15.3 176.1-117.1 131.0 21.2 -24.2 22.0 103 118 A A E -DE 117 444B 1 341,-2.9 341,-2.5 -2,-0.5 14,-0.2 -0.971 35.6-108.3-137.7 147.2 19.4 -22.2 19.4 104 119 A V - 0 0 1 12,-2.5 339,-0.2 -2,-0.3 3,-0.1 -0.412 62.8 -82.5 -61.6 144.6 17.6 -22.6 16.1 105 120 A P > - 0 0 11 0, 0.0 3,-1.6 0, 0.0 -61,-0.2 -0.239 54.2 -99.9 -54.0 141.6 19.7 -21.3 13.2 106 121 A E T 3 S+ 0 0 7 1,-0.2 -61,-0.2 -3,-0.1 358,-0.2 -0.380 108.0 32.2 -67.5 140.7 19.5 -17.5 12.8 107 122 A G T 3 S+ 0 0 0 -63,-3.5 -1,-0.2 1,-0.4 -62,-0.1 0.070 86.2 140.1 100.5 -21.3 17.2 -16.3 10.0 108 123 A F < - 0 0 44 -3,-1.6 -64,-2.2 -64,-0.3 2,-0.7 -0.207 49.6-137.6 -58.0 140.9 14.9 -19.3 10.5 109 124 A V E +H 43 0C 22 355,-0.3 -66,-0.2 -66,-0.2 -1,-0.1 -0.909 29.3 178.2-106.6 110.2 11.2 -18.7 10.3 110 125 A I E -H 42 0C 0 -68,-2.2 -68,-2.8 -2,-0.7 4,-0.1 -0.927 28.3-116.4-119.9 132.6 9.4 -20.6 13.1 111 126 A P E -H 41 0C 45 0, 0.0 3,-0.4 0, 0.0 -70,-0.3 -0.221 47.1 -85.5 -60.4 155.6 5.7 -20.6 14.0 112 127 A R S S+ 0 0 29 -72,-2.1 -79,-0.2 1,-0.2 -78,-0.1 -0.197 108.5 42.8 -59.8 151.2 4.6 -19.2 17.3 113 128 A G S S+ 0 0 9 -81,-1.9 2,-0.4 1,-0.3 -1,-0.2 0.683 87.6 121.3 86.9 20.4 4.6 -21.5 20.4 114 129 A N - 0 0 12 -3,-0.4 -82,-0.6 -82,-0.2 -1,-0.3 -0.906 69.8-105.5-120.5 145.6 8.0 -23.1 19.7 115 130 A V E +C 31 0B 0 -2,-0.4 -84,-0.2 1,-0.2 3,-0.1 -0.463 34.0 176.1 -61.6 128.4 11.3 -23.3 21.5 116 131 A L E - 0 0 2 -86,-2.9 -12,-2.5 1,-0.5 2,-0.3 0.733 66.6 -5.9-105.3 -38.8 13.8 -20.9 19.8 117 132 A F E -CD 30 103B 0 -87,-1.0 -87,-2.6 -14,-0.2 -1,-0.5 -0.983 59.3-150.5-150.5 162.2 16.6 -21.4 22.3 118 133 A T E -CD 29 102B 1 -16,-2.4 -16,-2.0 -2,-0.3 2,-0.4 -0.952 7.1-160.3-131.1 153.2 17.5 -23.2 25.6 119 134 A V E +CD 28 101B 0 -91,-3.2 -91,-3.0 -2,-0.3 2,-0.3 -0.990 16.2 160.8-134.6 140.6 19.9 -22.4 28.3 120 135 A E E -CD 27 100B 25 -20,-1.8 -20,-2.8 -2,-0.4 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-1,-0.2 0.944 91.0 38.5 -60.2 -48.0 17.6 6.3 13.7 181 196 A R T <4 S+ 0 0 35 -3,-0.5 -1,-0.2 1,-0.2 433,-0.2 0.674 112.8 60.2 -76.3 -16.5 16.3 9.5 15.5 182 197 A G T 34 S+ 0 0 3 -4,-0.2 668,-0.4 432,-0.1 -1,-0.2 0.443 87.5 87.0 -95.7 -2.3 13.1 7.7 16.6 183 198 A V S << S- 0 0 0 -3,-0.8 432,-0.2 -4,-0.6 431,-0.1 -0.393 83.9-114.1 -91.6 176.4 14.7 4.9 18.7 184 199 A S S S- 0 0 1 -2,-0.1 2,-0.3 1,-0.1 431,-0.1 0.731 84.6 -1.6 -87.1 -24.4 15.7 5.1 22.3 185 200 A S > - 0 0 1 1,-0.1 4,-1.7 430,-0.1 -1,-0.1 -0.956 68.7-100.5-156.3 175.3 19.4 4.8 22.0 186 201 A Q H > S+ 0 0 15 -2,-0.3 4,-1.8 2,-0.2 5,-0.1 0.855 120.4 49.8 -68.0 -38.2 22.5 4.3 19.8 187 202 A E H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.933 110.4 49.0 -69.1 -46.4 22.7 0.6 20.6 188 203 A T H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.880 107.7 57.4 -57.4 -39.8 19.0 0.0 19.8 189 204 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 19,-0.2 0.935 109.5 42.8 -58.3 -50.5 19.5 1.9 16.6 190 205 A G H X S+ 0 0 4 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.909 117.0 46.7 -62.5 -45.6 22.2 -0.4 15.4 191 206 A I H X S+ 0 0 13 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.919 115.3 45.6 -63.0 -46.7 20.4 -3.6 16.5 192 207 A G H X S+ 0 0 0 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.871 111.3 52.4 -66.6 -38.1 17.1 -2.5 15.0 193 208 A A H X S+ 0 0 0 -4,-2.3 4,-1.4 -5,-0.3 -1,-0.2 0.868 108.0 51.7 -66.6 -35.9 18.7 -1.5 11.7 194 209 A S H < S+ 0 0 0 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.845 107.8 52.5 -69.7 -32.7 20.4 -4.8 11.4 195 210 A A H >< S+ 0 0 0 -4,-1.5 3,-0.8 1,-0.2 4,-0.4 0.866 108.4 49.7 -71.1 -37.1 17.1 -6.6 12.0 196 211 A H H >X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 3,-1.4 0.841 103.3 61.5 -67.3 -33.0 15.4 -4.6 9.2 197 212 A L T 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.538 85.5 75.1 -76.6 -7.2 18.2 -5.4 6.8 198 213 A V T <4 S+ 0 0 5 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.831 114.4 23.0 -64.6 -31.4 17.5 -9.1 7.1 199 214 A N T <4 S+ 0 0 5 -3,-1.4 -2,-0.2 -4,-0.4 2,-0.2 0.778 129.5 29.6-107.2 -36.1 14.5 -8.4 4.9 200 215 A F < - 0 0 1 -4,-2.1 -27,-0.2 -27,-0.1 -28,-0.1 -0.709 55.1-144.9-124.0 173.2 15.4 -5.2 3.0 201 216 A K S S+ 0 0 60 -29,-3.0 24,-2.6 -2,-0.2 2,-0.6 0.499 70.3 94.6-116.3 -8.3 18.4 -3.3 1.7 202 217 A G B +o 225 0E 0 -30,-0.7 -25,-1.4 -27,-0.3 2,-0.3 -0.771 47.1 149.2 -93.6 117.2 17.5 0.3 2.2 203 218 A T B -j 177 0D 0 22,-1.9 -25,-0.1 -2,-0.6 -27,-0.1 -0.992 36.0-177.5-142.5 151.7 18.6 2.0 5.4 204 219 A D + 0 0 9 -27,-1.6 2,-1.9 -2,-0.3 279,-1.5 0.363 69.1 98.2-116.4 -7.9 19.6 5.4 6.7 205 220 A T B > -P 482 0F 0 -28,-0.3 3,-1.6 1,-0.2 4,-0.3 -0.600 55.4-175.8 -80.8 81.3 20.3 4.1 10.2 206 221 A V T >> S+ 0 0 4 -2,-1.9 3,-2.0 275,-0.7 4,-0.8 0.778 70.0 75.1 -48.6 -35.8 24.1 3.9 9.6 207 222 A A H >> S+ 0 0 21 1,-0.3 4,-1.5 2,-0.2 3,-0.5 0.844 86.0 63.1 -49.4 -41.1 24.7 2.2 13.0 208 223 A G H <> S+ 0 0 0 -3,-1.6 4,-1.9 1,-0.2 -1,-0.3 0.748 93.6 62.9 -58.2 -27.4 23.3 -1.1 11.7 209 224 A L H <> S+ 0 0 10 -3,-2.0 4,-2.2 -4,-0.3 -1,-0.2 0.928 103.9 45.4 -65.4 -46.2 26.1 -1.4 9.1 210 225 A A H S+ 0 0 0 -4,-1.9 5,-3.6 1,-0.2 4,-2.3 0.918 113.1 48.8 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