==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 15-MAR-13 4JNM . COMPND 2 MOLECULE: NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.GUNZNER-TOSTE,G.ZHAO,P.BAUER,T.BAUMEISTER,A.J.BUCKMELTER, . 944 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34127.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 645 68.3 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 11.2 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 . 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 . 47 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 252 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.5 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 7 4 2 2 2 2 0 6 0 2 2 2 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 0 205 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.4 33.4 -0.9 30.8 2 9 A F - 0 0 64 1,-0.0 2,-0.6 2,-0.0 3,-0.1 -0.461 360.0-160.7 -68.6 128.4 30.5 -3.3 30.7 3 10 A N > - 0 0 7 -2,-0.2 3,-2.0 1,-0.1 4,-0.1 -0.935 11.0-161.0-115.7 111.3 30.1 -5.4 33.8 4 11 A I G > S+ 0 0 2 -2,-0.6 3,-1.3 55,-0.5 -1,-0.1 0.785 92.7 63.3 -59.8 -28.0 28.0 -8.6 33.4 5 12 A L G 3 S+ 0 0 0 54,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.677 107.7 42.9 -70.1 -17.3 27.4 -8.7 37.2 6 13 A L G < S+ 0 0 21 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.208 95.4 84.5-110.0 12.2 25.6 -5.4 36.8 7 14 A A S < S+ 0 0 2 -3,-1.3 129,-0.4 672,-0.1 2,-0.3 -0.345 76.0 75.6-113.7 50.9 23.6 -6.4 33.7 8 15 A T S S- 0 0 0 -3,-0.2 671,-0.7 127,-0.1 2,-0.2 -0.931 92.2 -75.8-147.3 167.4 20.7 -8.2 35.2 9 16 A D B > -A 678 0A 2 -2,-0.3 3,-1.6 123,-0.2 4,-0.5 -0.535 47.5-120.9 -66.6 136.9 17.4 -7.5 37.0 10 17 A S G > S+ 0 0 0 667,-1.9 3,-2.1 1,-0.3 4,-0.3 0.867 108.3 57.4 -45.8 -50.6 18.2 -6.5 40.6 11 18 A Y G > S+ 0 0 17 1,-0.3 3,-1.4 2,-0.2 691,-0.5 0.720 92.0 70.3 -61.4 -21.3 16.2 -9.3 42.2 12 19 A K G X S+ 0 0 6 -3,-1.6 3,-1.0 1,-0.3 4,-0.3 0.739 84.3 70.6 -68.0 -21.3 18.1 -12.0 40.3 13 20 A V G < S+ 0 0 0 -3,-2.1 69,-0.4 -4,-0.5 3,-0.3 0.768 103.2 43.3 -61.9 -24.5 21.1 -11.1 42.6 14 21 A T G X S+ 0 0 0 -3,-1.4 3,-1.1 -4,-0.3 -1,-0.2 0.408 88.1 91.7-102.5 -0.4 19.1 -12.8 45.4 15 22 A H G X> + 0 0 6 -3,-1.0 3,-1.8 1,-0.2 4,-1.1 0.707 68.9 73.4 -72.6 -20.1 17.9 -15.8 43.5 16 23 A Y G 34 S+ 0 0 38 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.679 98.7 48.9 -69.4 -16.3 20.8 -18.1 44.4 17 24 A K G <4 S+ 0 0 79 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.284 108.3 56.7-100.4 8.4 19.3 -18.3 47.9 18 25 A Q T <4 S+ 0 0 0 -3,-1.8 -2,-0.2 2,-0.1 705,-0.1 0.645 79.9 93.1-115.0 -22.4 15.9 -19.2 46.6 19 26 A Y S < S- 0 0 6 -4,-1.1 688,-0.1 1,-0.1 4,-0.1 -0.332 92.9 -82.5 -69.6 156.4 16.3 -22.3 44.4 20 27 A P > - 0 0 9 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 -0.392 53.9-105.7 -58.4 134.7 15.8 -25.7 46.0 21 28 A P T 3 S+ 0 0 68 0, 0.0 3,-0.1 0, 0.0 371,-0.0 -0.239 104.2 33.7 -56.7 153.2 18.9 -26.9 47.8 22 29 A N T 3 S+ 0 0 112 1,-0.2 370,-2.9 369,-0.1 2,-0.6 0.785 80.3 150.5 64.9 31.6 20.9 -29.6 46.1 23 30 A T E < +B 391 0B 11 -3,-0.6 104,-0.3 368,-0.2 368,-0.3 -0.861 19.3 173.5 -95.2 119.5 20.0 -28.2 42.6 24 31 A S E + 0 0 42 366,-2.6 2,-0.4 -2,-0.6 102,-0.2 0.595 63.0 36.3-100.4 -14.6 22.8 -29.0 40.1 25 32 A K E -B 390 0B 48 365,-1.1 365,-1.5 100,-0.1 2,-0.5 -0.992 48.7-172.9-146.7 134.1 21.0 -27.8 37.0 26 33 A V E -B 389 0B 0 -2,-0.4 95,-0.6 363,-0.2 2,-0.5 -0.987 16.1-170.3-122.4 120.3 18.7 -25.0 35.8 27 34 A Y E +BC 388 120B 10 361,-3.2 360,-2.6 -2,-0.5 361,-1.7 -0.946 9.6 174.9-116.5 121.4 17.5 -25.4 32.2 28 35 A S E -BC 386 119B 0 91,-2.9 91,-3.4 -2,-0.5 2,-0.3 -0.887 10.4-160.6-128.3 157.3 15.6 -22.5 30.6 29 36 A Y E -BC 385 118B 0 356,-3.0 356,-2.3 -2,-0.3 2,-0.4 -0.879 10.9-136.0-134.7 164.7 14.2 -21.8 27.2 30 37 A F E +BC 384 117B 0 87,-2.4 86,-2.7 -2,-0.3 87,-0.9 -0.956 27.8 163.0-122.2 141.2 13.0 -18.8 25.1 31 38 A E E -BC 383 115B 6 352,-2.2 352,-2.9 -2,-0.4 2,-1.1 -0.989 47.0-121.0-149.2 157.3 9.9 -18.6 22.9 32 39 A C E -B 382 0B 2 82,-0.6 81,-2.4 -2,-0.3 350,-0.3 -0.810 54.1-134.4 -93.5 87.4 7.6 -16.2 21.1 33 40 A R - 0 0 32 348,-2.4 2,-0.1 -2,-1.1 79,-0.1 -0.031 12.6-113.1 -53.8 141.5 4.7 -17.5 23.1 34 41 A E - 0 0 130 78,-0.1 2,-0.4 373,-0.1 -1,-0.1 -0.434 26.4-147.1 -75.0 148.4 1.5 -18.3 21.3 35 42 A K 0 0 105 -2,-0.1 77,-0.0 373,-0.0 -1,-0.0 -0.968 360.0 360.0-122.0 134.3 -1.6 -16.2 21.9 36 43 A K 0 0 115 -2,-0.4 371,-0.0 0, 0.0 0, 0.0 -0.411 360.0 360.0 -66.2 360.0 -5.2 -17.4 21.8 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 0 205 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -42.6 -1.4 -11.7 13.8 39 54 A Y + 0 0 34 1,-0.1 73,-0.1 109,-0.1 110,-0.0 0.980 360.0 173.7 54.8 68.7 2.3 -12.4 13.4 40 55 A E + 0 0 136 71,-0.1 72,-2.2 1,-0.1 2,-0.3 0.690 63.0 40.0 -81.3 -18.1 2.1 -16.2 13.1 41 56 A E E S-H 111 0C 45 70,-0.3 2,-0.4 107,-0.1 -1,-0.1 -0.974 71.2-152.9-133.9 148.1 5.8 -16.7 12.3 42 57 A T E -H 110 0C 1 68,-3.2 68,-2.6 -2,-0.3 2,-0.7 -0.920 15.3-130.2-126.0 145.2 8.9 -15.0 13.6 43 58 A V E -H 109 0C 1 101,-0.5 2,-0.7 -2,-0.4 105,-0.3 -0.822 23.9-142.3 -88.6 116.7 12.4 -14.3 12.3 44 59 A F + 0 0 0 64,-2.4 63,-3.5 -2,-0.7 2,-0.3 -0.720 44.7 136.6 -80.8 115.2 15.0 -15.4 14.8 45 60 A Y + 0 0 3 -2,-0.7 102,-0.1 95,-0.3 100,-0.1 -0.970 35.0 48.1-159.0 141.5 17.8 -12.9 14.7 46 61 A G > + 0 0 3 -2,-0.3 4,-1.3 97,-0.1 3,-0.4 0.155 69.8 103.7 120.7 -18.1 20.1 -10.9 17.1 47 62 A L H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 3,-0.2 0.893 77.6 59.0 -62.5 -41.8 21.4 -13.5 19.5 48 63 A Q H > S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.830 102.5 54.5 -59.4 -35.2 24.9 -13.7 17.9 49 64 A Y H > S+ 0 0 15 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.921 111.0 45.4 -61.1 -45.7 25.3 -9.9 18.6 50 65 A I H X>S+ 0 0 9 -4,-1.3 4,-2.1 1,-0.2 5,-1.0 0.901 110.5 53.3 -66.8 -43.1 24.6 -10.5 22.3 51 66 A L H X>S+ 0 0 3 -4,-2.6 5,-2.1 3,-0.2 4,-0.7 0.898 116.5 37.7 -60.4 -44.3 26.9 -13.5 22.5 52 67 A N H <5S+ 0 0 33 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.905 121.2 41.6 -74.9 -44.8 29.9 -11.7 21.1 53 68 A K H <5S+ 0 0 89 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.801 134.0 9.8 -76.3 -29.5 29.5 -8.3 22.6 54 69 A Y H <5S+ 0 0 20 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.1 0.667 126.2 39.3-126.8 -26.0 28.4 -9.3 26.1 55 70 A L T < - 0 0 33 -2,-0.4 4,-1.7 1,-0.1 5,-0.2 -0.860 49.6-108.9-129.4 167.8 37.4 -10.0 37.0 62 77 A K H > S+ 0 0 152 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.897 121.1 50.1 -58.7 -41.4 38.3 -9.3 40.7 63 78 A E H > S+ 0 0 127 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.890 107.6 51.4 -67.4 -41.5 37.5 -5.7 40.1 64 79 A K H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.830 110.4 49.9 -67.9 -31.8 34.1 -6.4 38.5 65 80 A I H X S+ 0 0 3 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.911 113.4 45.3 -69.7 -43.2 33.1 -8.5 41.5 66 81 A Q H X S+ 0 0 87 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.867 112.1 52.8 -67.7 -36.9 34.2 -5.8 43.9 67 82 A E H X S+ 0 0 73 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.940 112.4 44.1 -62.0 -48.5 32.4 -3.2 41.9 68 83 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.879 111.4 54.7 -64.1 -39.0 29.2 -5.2 41.9 69 84 A K H X S+ 0 0 78 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.892 109.7 47.0 -62.0 -40.7 29.6 -6.0 45.6 70 85 A D H X S+ 0 0 86 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.899 114.7 45.1 -69.5 -42.9 29.9 -2.2 46.4 71 86 A V H >X S+ 0 0 19 -4,-2.0 4,-2.9 1,-0.2 3,-0.7 0.946 113.0 48.8 -66.0 -50.2 26.9 -1.2 44.3 72 87 A Y H 3X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 6,-0.5 0.808 102.8 62.5 -63.8 -31.2 24.5 -4.0 45.5 73 88 A K H 3<>S+ 0 0 97 -4,-1.4 5,-0.6 -5,-0.2 4,-0.5 0.883 115.4 32.7 -60.2 -38.7 25.4 -3.3 49.2 74 89 A E H <<5S+ 0 0 63 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.832 116.1 57.5 -83.8 -37.0 23.9 0.2 48.7 75 90 A H H <5S+ 0 0 0 -4,-2.9 624,-2.3 1,-0.2 -2,-0.2 0.860 123.3 23.8 -64.6 -37.7 21.2 -0.8 46.2 76 91 A F T <5S- 0 0 14 -4,-2.5 -1,-0.2 2,-0.3 -2,-0.2 0.540 96.4-131.4-100.7 -11.7 19.7 -3.4 48.6 77 92 A Q T 5S+ 0 0 124 -4,-0.5 2,-0.3 -5,-0.3 -3,-0.2 0.870 83.6 82.0 54.4 37.8 20.9 -1.8 51.8 78 93 A D S + 0 0 20 -69,-0.4 4,-1.8 -2,-0.2 5,-0.2 -0.441 43.4 156.1 -80.2 69.5 26.9 -14.4 45.6 83 98 A E H > S+ 0 0 61 -2,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.858 73.9 52.5 -62.3 -36.5 30.5 -13.3 45.8 84 99 A K H > S+ 0 0 173 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.862 106.3 53.5 -68.1 -37.4 31.5 -17.0 46.2 85 100 A G H > S+ 0 0 10 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.910 113.8 40.7 -64.0 -44.3 29.6 -18.0 43.1 86 101 A W H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.854 111.2 57.3 -73.6 -36.2 31.3 -15.4 40.9 87 102 A N H X S+ 0 0 43 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.867 103.8 54.9 -58.8 -38.0 34.7 -16.1 42.5 88 103 A Y H X S+ 0 0 53 -4,-1.8 4,-2.7 2,-0.2 5,-0.4 0.911 106.5 49.3 -62.8 -44.9 34.3 -19.7 41.5 89 104 A I H X S+ 0 0 0 -4,-1.3 6,-1.6 1,-0.2 4,-1.6 0.883 112.9 49.2 -61.5 -38.4 33.7 -18.8 37.8 90 105 A L H X S+ 0 0 26 -4,-1.9 4,-0.6 4,-0.2 -2,-0.2 0.914 118.0 37.5 -66.7 -44.8 36.8 -16.6 38.0 91 106 A E H < S+ 0 0 156 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.819 124.7 36.9 -80.3 -33.0 39.1 -19.1 39.5 92 107 A K H < S+ 0 0 125 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.828 132.1 21.8 -91.0 -35.2 37.9 -22.3 37.8 93 108 A Y H >< S- 0 0 63 -4,-1.6 3,-1.7 -5,-0.4 -2,-0.2 0.165 102.7-110.1-122.8 17.1 37.1 -21.0 34.3 94 109 A D T 3< S- 0 0 90 -4,-0.6 -4,-0.2 1,-0.3 -34,-0.2 0.882 82.3 -51.4 52.5 41.4 39.2 -17.8 34.1 95 110 A G T 3 S+ 0 0 0 -6,-1.6 -36,-1.8 1,-0.3 2,-0.3 0.506 103.6 138.2 78.3 4.0 36.1 -15.7 34.1 96 111 A H < - 0 0 27 -3,-1.7 -1,-0.3 -7,-0.4 -38,-0.1 -0.663 60.1-112.1 -83.0 138.2 34.4 -17.6 31.3 97 112 A L - 0 0 0 -42,-0.5 2,-2.7 -40,-0.4 353,-0.6 -0.563 15.7-140.9 -75.0 115.1 30.7 -18.4 31.8 98 113 A P + 0 0 0 0, 0.0 24,-2.3 0, 0.0 25,-0.7 -0.417 60.8 126.8 -72.9 72.4 30.1 -22.2 32.2 99 114 A I E -D 121 0B 0 -2,-2.7 350,-2.0 22,-0.3 2,-0.5 -0.969 48.8-153.1-133.1 140.7 26.9 -21.9 30.1 100 115 A E E -DE 120 448B 30 20,-3.1 20,-1.7 -2,-0.4 2,-0.5 -0.981 12.4-173.4-116.6 126.8 25.7 -23.8 27.1 101 116 A I E -DE 119 447B 0 346,-2.8 345,-2.5 -2,-0.5 346,-1.8 -0.975 2.2-170.5-118.8 125.5 23.3 -22.1 24.7 102 117 A K E +DE 118 445B 62 16,-1.7 16,-2.4 -2,-0.5 2,-0.3 -0.945 15.3 174.9-113.7 138.0 21.6 -24.0 21.8 103 118 A A E -DE 117 444B 1 341,-3.1 341,-2.5 -2,-0.4 14,-0.2 -0.982 36.7-105.1-145.2 151.0 19.7 -22.1 19.2 104 119 A V - 0 0 1 12,-2.2 339,-0.1 -2,-0.3 3,-0.1 -0.450 63.1 -85.0 -64.2 144.4 17.8 -22.3 15.9 105 120 A P > - 0 0 10 0, 0.0 3,-1.5 0, 0.0 -61,-0.2 -0.268 52.3-100.5 -56.1 142.1 19.9 -20.9 13.0 106 121 A E T 3 S+ 0 0 6 1,-0.2 -61,-0.2 -3,-0.1 358,-0.2 -0.390 107.8 33.0 -69.2 140.7 19.6 -17.1 12.7 107 122 A G T 3 S+ 0 0 0 -63,-3.5 -1,-0.2 1,-0.4 -62,-0.1 0.056 85.3 138.4 100.5 -23.1 17.3 -16.0 9.9 108 123 A F < - 0 0 45 -3,-1.5 -64,-2.4 -64,-0.3 2,-0.7 -0.278 50.8-137.6 -57.3 135.6 15.1 -19.0 10.4 109 124 A V E +H 43 0C 22 355,-0.4 -66,-0.2 -66,-0.2 -1,-0.1 -0.886 29.7 178.4 -99.9 112.5 11.3 -18.3 10.2 110 125 A I E -H 42 0C 0 -68,-2.6 -68,-3.2 -2,-0.7 4,-0.1 -0.937 28.1-115.9-121.2 135.2 9.6 -20.2 13.0 111 126 A P E > -H 41 0C 46 0, 0.0 3,-0.6 0, 0.0 -70,-0.3 -0.232 47.6 -84.3 -61.2 156.7 5.9 -20.3 13.9 112 127 A R T 3 S+ 0 0 30 -72,-2.2 -79,-0.2 1,-0.2 -78,-0.1 -0.157 109.1 38.9 -57.9 154.1 4.8 -19.0 17.3 113 128 A G T 3 S+ 0 0 9 -81,-2.4 2,-0.4 1,-0.3 -1,-0.2 0.678 87.4 122.0 79.9 18.9 5.0 -21.2 20.4 114 129 A N S < S- 0 0 14 -3,-0.6 -82,-0.6 -82,-0.3 -1,-0.3 -0.885 70.5-102.9-115.2 147.3 8.2 -22.9 19.4 115 130 A V E +C 31 0B 0 -2,-0.4 -84,-0.2 1,-0.2 3,-0.1 -0.469 35.7 176.7 -64.3 127.9 11.5 -23.1 21.3 116 131 A L E - 0 0 2 -86,-2.7 -12,-2.2 1,-0.4 2,-0.3 0.757 65.5 -7.1-104.0 -38.9 14.0 -20.7 19.8 117 132 A F E -CD 30 103B 0 -87,-0.9 -87,-2.4 -14,-0.2 -1,-0.4 -0.980 58.7-148.9-155.5 152.7 16.9 -21.2 22.1 118 133 A T E -CD 29 102B 1 -16,-2.4 -16,-1.7 -2,-0.3 2,-0.4 -0.888 8.4-159.2-119.5 152.9 17.7 -23.0 25.4 119 134 A V E +CD 28 101B 0 -91,-3.4 -91,-2.9 -2,-0.3 2,-0.3 -0.996 18.2 157.0-133.4 135.9 20.1 -22.1 28.2 120 135 A E E -CD 27 100B 29 -20,-1.7 -20,-3.1 -2,-0.4 2,-0.2 -0.987 37.9-107.3-152.1 159.2 21.8 -24.3 30.8 121 136 A N E - D 0 99B 2 -95,-0.6 -22,-0.3 -2,-0.3 6,-0.1 -0.604 12.6-158.4 -86.4 149.5 24.8 -24.4 33.1 122 137 A T S S+ 0 0 51 -24,-2.3 -23,-0.1 -2,-0.2 -1,-0.1 0.551 80.3 58.2-103.0 -12.4 27.6 -26.8 32.5 123 138 A D S > S- 0 0 11 -25,-0.7 3,-2.0 1,-0.1 -1,-0.1 -0.984 77.3-139.0-120.8 128.4 28.9 -26.8 36.1 124 139 A P G > S+ 0 0 72 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.785 103.1 62.7 -53.7 -32.0 26.6 -27.9 39.0 125 140 A E G 3 S+ 0 0 121 1,-0.3 3,-0.4 2,-0.1 -37,-0.1 0.752 98.9 56.8 -64.8 -24.2 28.0 -25.0 41.1 126 141 A C G X> + 0 0 0 -3,-2.0 3,-1.1 1,-0.2 4,-0.6 -0.107 61.2 126.4-105.5 35.7 26.6 -22.5 38.6 127 142 A Y T X4 S+ 0 0 48 -3,-1.0 3,-0.6 -104,-0.3 4,-0.4 0.834 76.0 54.8 -55.8 -34.6 22.9 -23.5 38.7 128 143 A W T 3> S+ 0 0 12 -3,-0.4 4,-0.8 1,-0.2 3,-0.4 0.685 92.1 72.6 -74.5 -20.9 22.1 -19.9 39.5 129 144 A L H <> S+ 0 0 0 -3,-1.1 4,-1.2 1,-0.2 -1,-0.2 0.777 80.8 72.1 -70.3 -28.5 23.9 -18.6 36.4 130 145 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924 466 B K E < -Y 921 0I 146 -3,-1.5 -3,-2.7 -395,-0.2 2,-0.6 -0.929 70.0-129.7-118.3 134.6 33.2 22.0 26.1 925 467 B V E -Y 920 0I 41 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.704 26.8-177.2 -74.6 121.7 30.3 21.4 28.5 926 468 B T + 0 0 70 -7,-1.8 2,-0.3 -2,-0.6 -6,-0.2 0.582 62.6 20.7-103.6 -13.3 29.8 24.8 30.0 927 469 B K + 0 0 75 -8,-1.0 -1,-0.3 -10,-0.1 2,-0.3 -0.956 65.0 170.0-158.3 138.7 27.0 24.1 32.5 928 470 B S - 0 0 73 -2,-0.3 2,-0.4 -3,-0.1 -239,-0.1 -0.921 19.7-135.8-147.3 168.1 25.7 20.9 34.1 929 471 B Y - 0 0 27 -2,-0.3 2,-0.1 3,-0.0 -2,-0.0 -0.990 17.0-126.5-135.1 135.5 23.3 19.6 36.9 930 472 B S > - 0 0 42 -2,-0.4 4,-1.8 1,-0.1 -240,-0.2 -0.367 31.1-115.7 -69.3 157.6 23.6 17.0 39.6 931 473 B F H > S+ 0 0 0 -241,-2.4 4,-2.1 1,-0.2 -240,-0.2 0.792 116.1 61.3 -66.4 -26.3 20.9 14.4 39.6 932 474 B D H > S+ 0 0 44 -242,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.911 106.5 43.3 -64.7 -43.4 19.9 15.8 43.1 933 475 B E H > S+ 0 0 83 2,-0.2 4,-2.2 -3,-0.2 -2,-0.2 0.829 111.1 55.4 -72.8 -32.1 19.1 19.2 41.6 934 476 B I H X S+ 0 0 0 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.906 107.8 49.0 -64.7 -42.9 17.3 17.6 38.6 935 477 B R H < S+ 0 0 35 -4,-2.1 4,-0.3 1,-0.2 3,-0.2 0.906 110.0 52.1 -61.5 -43.2 15.1 15.7 41.0 936 478 B K H >< S+ 0 0 125 -4,-1.8 3,-1.0 1,-0.2 -2,-0.2 0.902 109.4 49.2 -59.1 -42.9 14.4 19.0 42.9 937 479 B N H 3< S+ 0 0 55 -4,-2.2 -355,-0.3 1,-0.2 -1,-0.2 0.781 109.9 52.0 -67.8 -27.0 13.4 20.7 39.7 938 480 B A T 3< S+ 0 0 1 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.328 80.4 131.5 -96.5 6.8 11.0 17.9 38.7 939 481 B Q < - 0 0 74 -3,-1.0 2,-0.1 -4,-0.3 -357,-0.1 -0.138 61.2-107.4 -57.1 153.2 9.1 17.8 41.9 940 482 B L > - 0 0 2 1,-0.1 4,-2.0 -313,-0.0 5,-0.1 -0.468 20.5-120.4 -78.6 155.0 5.3 17.8 41.8 941 483 B N H > S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.893 116.6 54.1 -60.1 -40.0 3.3 20.9 42.9 942 484 B I H 4 S+ 0 0 56 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.848 108.5 49.0 -64.0 -34.0 1.6 18.8 45.6 943 485 B E H 4 S+ 0 0 50 1,-0.2 -1,-0.2 -3,-0.0 -2,-0.2 0.864 108.7 53.5 -70.5 -36.8 5.1 17.9 46.9 944 486 B L H < S+ 0 0 93 -4,-2.0 2,-2.8 1,-0.2 -2,-0.2 0.793 85.7 87.8 -69.0 -29.1 6.1 21.5 46.8 945 487 B E < + 0 0 145 -4,-1.7 2,-0.2 -5,-0.1 -1,-0.2 -0.410 62.7 141.9 -70.7 71.2 3.1 22.5 48.9 946 488 B A 0 0 80 -2,-2.8 -1,-0.0 1,-0.1 -3,-0.0 -0.710 360.0 360.0-164.2 104.9 5.0 21.8 52.2 947 489 B A 0 0 152 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.1 0.123 360.0 360.0-136.4 360.0 4.3 23.7 54.2