==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-JUN-10 3NBQ . COMPND 2 MOLECULE: URIDINE PHOSPHORYLASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.P.ROOSILD . 1172 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43592.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 809 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 152 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 . 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 . 84 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 329 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.0 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 2 3 0 1 2 0 2 0 0 5 6 2 0 4 0 0 0 0 3 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 8 4 4 0 0 4 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 8 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 8 0 0 0 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 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 16 A D 0 0 176 0, 0.0 116,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -68.6 -38.4 -5.5 -41.2 2 17 A C - 0 0 51 245,-0.0 116,-3.0 3,-0.0 117,-0.4 -0.883 360.0-149.4-110.0 105.3 -35.8 -6.6 -38.5 3 18 A P B -A 117 0A 80 0, 0.0 2,-0.5 0, 0.0 114,-0.3 -0.301 20.0-110.6 -74.0 150.7 -37.0 -5.8 -35.0 4 19 A V - 0 0 6 112,-1.9 2,-0.3 107,-0.2 243,-0.2 -0.714 47.7-170.2 -72.7 126.8 -34.8 -4.9 -32.0 5 20 A R - 0 0 117 241,-1.6 2,-0.3 -2,-0.5 243,-0.1 -0.860 19.7-138.5-121.8 155.3 -35.0 -7.9 -29.7 6 21 A L - 0 0 24 -2,-0.3 2,-0.2 2,-0.1 497,-0.2 -0.828 9.6-144.4-106.0 151.7 -34.0 -8.8 -26.1 7 22 A L B S+b 503 0B 70 495,-2.1 497,-2.0 -2,-0.3 494,-0.1 -0.462 72.2 96.9-108.2 58.4 -32.5 -12.2 -25.1 8 23 A N > - 0 0 14 495,-0.2 3,-1.1 -2,-0.2 4,-0.3 -0.876 53.0-165.7-152.7 108.1 -34.2 -12.1 -21.7 9 24 A P T >> S+ 0 0 90 0, 0.0 3,-0.9 0, 0.0 4,-0.7 0.768 84.7 71.5 -63.8 -27.9 -37.6 -13.9 -20.8 10 25 A N H 3> S+ 0 0 31 489,-0.2 4,-0.7 1,-0.2 489,-0.1 0.545 81.3 74.6 -69.8 -9.9 -38.0 -11.9 -17.6 11 26 A I H <4 S+ 0 0 12 -3,-1.1 -1,-0.2 2,-0.2 3,-0.1 0.814 90.8 51.1 -78.2 -35.6 -38.8 -8.7 -19.3 12 27 A A H <4 S+ 0 0 94 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.873 107.2 55.5 -69.5 -38.6 -42.4 -9.4 -20.4 13 28 A K H < S+ 0 0 159 -4,-0.7 -1,-0.2 2,-0.0 -2,-0.2 0.765 89.0 100.0 -59.0 -30.1 -43.3 -10.5 -16.9 14 29 A M < - 0 0 50 -4,-0.7 3,-0.1 1,-0.1 -3,-0.0 -0.364 58.6-160.3 -66.9 137.2 -42.2 -7.1 -15.6 15 30 A K S S+ 0 0 195 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.868 77.0 9.8 -85.8 -42.1 -44.8 -4.5 -14.9 16 31 A E - 0 0 104 10,-0.0 2,-0.5 2,-0.0 -1,-0.3 -0.982 64.6-150.6-135.5 153.1 -42.5 -1.5 -15.0 17 32 A D - 0 0 2 -2,-0.3 9,-2.1 -3,-0.1 2,-0.6 -0.968 3.0-160.5-125.7 118.9 -38.9 -0.9 -16.1 18 33 A I E -C 25 0C 42 -2,-0.5 2,-1.6 7,-0.2 7,-0.3 -0.850 9.5-153.8 -91.7 117.1 -36.6 1.8 -14.6 19 34 A L E >>> -C 24 0C 0 5,-3.7 4,-2.0 -2,-0.6 3,-1.5 -0.674 20.5-170.8 -87.3 80.3 -33.7 2.6 -16.9 20 35 A Y T 345S+ 0 0 38 -2,-1.6 -1,-0.2 1,-0.3 3,-0.2 0.827 75.8 45.6 -43.7 -50.0 -31.7 3.7 -13.8 21 36 A H T 345S+ 0 0 5 1,-0.2 59,-0.6 -3,-0.2 58,-0.3 0.678 118.3 42.0 -77.2 -16.0 -28.7 5.2 -15.7 22 37 A F T <45S- 0 0 0 -3,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.651 101.9-128.1 -95.9 -22.2 -30.8 7.1 -18.3 23 38 A N T <5 + 0 0 34 -4,-2.0 2,-0.4 1,-0.3 -3,-0.2 0.903 67.9 129.1 66.0 43.4 -33.4 8.3 -15.8 24 39 A L E < -C 19 0C 5 -5,-1.3 -5,-3.7 50,-0.0 2,-0.3 -0.984 34.2-179.8-127.8 139.1 -36.1 6.9 -18.1 25 40 A T E >> -C 18 0C 10 -2,-0.4 4,-2.1 -7,-0.3 3,-1.0 -0.997 36.5-127.9-142.1 143.2 -38.9 4.6 -17.0 26 41 A T T 34 S+ 0 0 32 -9,-2.1 5,-0.1 -2,-0.3 -8,-0.1 0.813 110.2 57.8 -55.2 -32.9 -41.8 2.9 -18.7 27 42 A S T 34 S+ 0 0 79 -10,-0.2 -1,-0.2 1,-0.2 -9,-0.1 0.738 117.9 29.9 -75.4 -22.0 -44.2 4.3 -16.1 28 43 A R T <4 S+ 0 0 135 -3,-1.0 2,-0.4 1,-0.1 -2,-0.2 0.598 115.7 64.2-105.8 -17.6 -43.2 8.0 -16.9 29 44 A H < - 0 0 50 -4,-2.1 2,-0.9 4,-0.0 -1,-0.1 -0.892 64.2-140.6-126.1 142.3 -42.2 7.7 -20.6 30 45 A N > - 0 0 107 -2,-0.4 4,-1.8 1,-0.2 5,-0.2 -0.830 24.3-175.5 -90.8 99.5 -43.8 7.0 -23.9 31 46 A F H > S+ 0 0 5 -2,-0.9 4,-2.4 2,-0.2 5,-0.3 0.896 78.8 46.5 -72.8 -42.8 -41.0 5.0 -25.6 32 47 A P H > S+ 0 0 37 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.930 116.4 46.1 -60.5 -43.1 -42.6 4.5 -29.1 33 48 A A H 4 S+ 0 0 78 1,-0.2 -2,-0.2 2,-0.2 4,-0.1 0.828 118.7 42.4 -68.7 -32.7 -43.6 8.2 -29.2 34 49 A L H < S+ 0 0 69 -4,-1.8 -1,-0.2 1,-0.1 -3,-0.2 0.880 138.2 3.7 -77.6 -40.0 -40.1 9.3 -28.0 35 50 A F H >< S+ 0 0 3 -4,-2.4 3,-2.0 -5,-0.2 -2,-0.2 0.338 88.6 110.5-136.8 -0.5 -37.9 6.9 -30.0 36 51 A G T 3< S+ 0 0 26 -4,-2.5 81,-0.3 -5,-0.3 -3,-0.1 0.816 81.4 55.6 -52.7 -34.4 -40.0 4.8 -32.4 37 52 A D T 3 S+ 0 0 83 -5,-0.3 2,-0.3 -4,-0.1 -1,-0.3 0.367 78.2 122.6 -84.3 4.2 -38.6 6.6 -35.5 38 53 A V < + 0 0 0 -3,-2.0 79,-0.4 1,-0.2 50,-0.2 -0.526 20.0 156.9 -74.6 127.4 -34.9 5.9 -34.6 39 54 A K + 0 0 61 48,-3.2 81,-3.0 1,-0.3 2,-0.4 0.538 64.4 43.2-121.2 -22.6 -33.0 4.1 -37.4 40 55 A F E -de 88 120D 14 47,-2.1 49,-2.9 79,-0.2 2,-0.5 -0.998 58.9-172.1-133.8 129.8 -29.4 5.1 -36.6 41 56 A V E -de 89 121D 2 79,-3.1 81,-3.0 -2,-0.4 2,-0.5 -0.983 4.6-165.7-119.0 131.1 -27.6 5.3 -33.3 42 57 A C E -de 90 122D 0 47,-3.0 49,-2.2 -2,-0.5 2,-0.3 -0.979 11.1-169.1-112.1 128.0 -24.2 6.8 -33.0 43 58 A V E +de 91 123D 0 79,-3.6 81,-2.4 -2,-0.5 2,-0.3 -0.921 14.5 150.8-118.5 146.2 -22.4 6.1 -29.7 44 59 A G E -d 92 0D 0 47,-1.5 49,-1.6 -2,-0.3 50,-0.4 -0.975 49.0 -95.8-164.3 172.7 -19.1 7.6 -28.3 45 60 A G S S+ 0 0 22 79,-0.4 49,-1.9 -2,-0.3 48,-0.1 0.892 93.1 55.9 -66.0 -49.2 -17.3 8.4 -25.0 46 61 A S > - 0 0 20 46,-0.1 4,-2.1 47,-0.1 5,-0.2 -0.692 64.6-142.4-100.5 136.4 -18.0 12.1 -24.4 47 62 A P H > S+ 0 0 53 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.919 107.3 48.3 -52.0 -47.9 -21.4 13.9 -24.0 48 63 A S H > S+ 0 0 77 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.876 109.7 51.3 -67.9 -38.4 -20.0 17.0 -25.8 49 64 A R H > S+ 0 0 30 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.908 112.7 48.0 -59.1 -39.1 -18.6 14.9 -28.6 50 65 A M H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.795 111.1 48.6 -78.6 -27.3 -22.0 13.3 -29.0 51 66 A K H X S+ 0 0 47 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.948 110.0 52.1 -67.7 -49.4 -23.8 16.6 -28.9 52 67 A A H X S+ 0 0 47 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.829 109.5 53.1 -52.0 -34.5 -21.4 17.9 -31.6 53 68 A F H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 5,-0.3 0.897 106.1 48.7 -68.9 -46.6 -22.3 14.8 -33.5 54 69 A I H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.921 112.8 49.9 -60.7 -43.5 -26.1 15.3 -33.4 55 70 A R H X S+ 0 0 103 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.870 112.1 48.7 -56.1 -41.9 -25.5 19.0 -34.6 56 71 A C H X S+ 0 0 32 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.905 114.6 41.7 -71.0 -44.1 -23.3 17.7 -37.4 57 72 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 6,-0.2 0.840 112.3 57.1 -74.6 -31.4 -25.7 15.1 -38.7 58 73 A G H X>S+ 0 0 0 -4,-2.4 5,-2.1 -5,-0.3 4,-0.8 0.976 109.8 44.1 -56.1 -58.2 -28.6 17.5 -38.2 59 74 A A H ><5S+ 0 0 48 -4,-2.5 3,-0.8 1,-0.2 5,-0.3 0.892 113.4 52.1 -47.9 -49.0 -26.9 20.0 -40.5 60 75 A E H 3<5S+ 0 0 55 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.857 110.2 47.2 -59.1 -41.6 -26.0 17.2 -43.0 61 76 A L H 3<5S- 0 0 39 -4,-2.3 -1,-0.3 -3,-0.2 -2,-0.2 0.553 114.0-118.3 -80.3 -10.3 -29.6 16.1 -43.1 62 77 A G T <<5S+ 0 0 64 -3,-0.8 -3,-0.2 -4,-0.8 -2,-0.1 0.667 84.9 117.4 79.7 19.1 -30.9 19.7 -43.6 63 78 A L < + 0 0 85 -5,-2.1 2,-1.4 -6,-0.2 -4,-0.2 0.086 37.6 121.6 -98.9 17.8 -32.8 19.6 -40.3 64 79 A D - 0 0 98 -6,-0.5 3,-0.1 -5,-0.3 -1,-0.0 -0.643 43.7-176.9 -84.0 84.2 -30.6 22.4 -39.1 65 80 A C - 0 0 79 -2,-1.4 -2,-0.1 1,-0.1 -6,-0.0 -0.500 37.1 -75.1 -87.1 158.2 -33.1 25.1 -38.3 66 81 A P S S- 0 0 128 0, 0.0 2,-2.2 0, 0.0 -1,-0.1 -0.170 96.6 -19.1 -54.4 135.4 -32.0 28.6 -37.1 67 82 A G S S+ 0 0 82 -3,-0.1 -2,-0.0 1,-0.1 -3,-0.0 -0.353 96.6 112.1 80.6 -62.2 -30.8 29.1 -33.5 68 83 A R - 0 0 165 -2,-2.2 -3,-0.1 1,-0.1 -1,-0.1 -0.065 44.8-155.3 -73.7 152.9 -32.1 26.1 -31.6 69 84 A D - 0 0 73 1,-0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.056 26.1 -87.9-105.4-159.6 -30.2 23.2 -30.0 70 85 A Y - 0 0 19 -2,-0.1 -15,-0.1 15,-0.0 15,-0.1 -0.956 37.1-133.5-125.1 109.5 -30.7 19.6 -28.9 71 86 A P - 0 0 70 0, 0.0 2,-0.8 0, 0.0 13,-0.3 -0.352 24.1-113.1 -63.5 139.1 -32.0 18.9 -25.4 72 87 A N > - 0 0 44 1,-0.2 3,-1.9 11,-0.1 11,-0.2 -0.680 23.5-158.3 -70.4 110.5 -30.2 16.3 -23.4 73 88 A I T 3 S+ 0 0 53 9,-2.8 -1,-0.2 -2,-0.8 10,-0.1 0.728 93.8 48.3 -62.7 -25.4 -32.9 13.6 -23.1 74 89 A C T > S+ 0 0 1 8,-0.4 3,-1.5 3,-0.1 -1,-0.3 0.071 79.6 145.3-103.4 19.8 -31.0 12.2 -20.0 75 90 A A T < + 0 0 61 -3,-1.9 3,-0.1 1,-0.2 6,-0.0 -0.313 57.6 51.4 -56.4 143.5 -30.7 15.7 -18.4 76 91 A G T 3 S+ 0 0 55 1,-0.4 2,-0.3 0, 0.0 -1,-0.2 0.314 105.8 66.9 96.3 -9.5 -31.0 15.2 -14.6 77 92 A T < - 0 0 36 -3,-1.5 -1,-0.4 3,-0.2 -3,-0.1 -0.918 62.3-157.7-125.7 163.7 -28.3 12.5 -14.6 78 93 A D S S+ 0 0 80 -2,-0.3 3,-0.1 -3,-0.1 -3,-0.1 0.167 74.9 86.3-121.4 15.8 -24.6 12.8 -15.4 79 94 A R S S+ 0 0 62 -58,-0.3 2,-0.3 1,-0.3 310,-0.1 0.968 102.9 3.4 -74.7 -56.9 -23.9 9.1 -16.3 80 95 A Y - 0 0 4 -59,-0.6 2,-0.3 -6,-0.2 -1,-0.3 -0.969 62.8-146.8-133.8 142.3 -24.9 9.4 -20.0 81 96 A A - 0 0 3 -2,-0.3 11,-2.1 -3,-0.1 2,-0.3 -0.822 18.4-168.4-104.1 152.0 -26.0 12.2 -22.3 82 97 A M E +F 91 0D 0 -2,-0.3 -9,-2.8 9,-0.2 -8,-0.4 -0.996 7.3 178.2-148.8 135.2 -28.5 11.5 -25.2 83 98 A Y E -F 90 0D 17 7,-2.3 7,-2.9 -2,-0.3 2,-0.4 -0.959 8.1-158.6-140.0 152.7 -29.6 13.6 -28.1 84 99 A K E +F 89 0D 52 -13,-0.3 2,-0.3 -2,-0.3 5,-0.2 -0.990 15.1 173.1-137.9 139.8 -31.9 13.2 -31.1 85 100 A V E > -F 88 0D 13 3,-2.1 3,-2.8 -2,-0.4 -2,-0.0 -0.934 69.3 -54.4-140.6 125.5 -32.5 14.6 -34.6 86 101 A G T 3 S- 0 0 29 -2,-0.3 -1,-0.1 1,-0.3 -49,-0.1 -0.134 123.4 -11.3 40.6-125.2 -35.1 13.0 -36.8 87 102 A P T 3 S+ 0 0 32 0, 0.0 -48,-3.2 0, 0.0 -47,-2.1 0.285 117.3 95.0 -88.4 12.7 -34.2 9.3 -37.1 88 103 A V E < -dF 40 85D 0 -3,-2.8 -3,-2.1 -50,-0.2 2,-0.4 -0.900 52.8-165.6-110.5 132.3 -30.8 9.6 -35.5 89 104 A L E -dF 41 84D 0 -49,-2.9 -47,-3.0 -2,-0.5 2,-0.5 -0.929 2.8-161.8-112.3 139.1 -29.9 9.0 -31.8 90 105 A S E +dF 42 83D 0 -7,-2.9 -7,-2.3 -2,-0.4 2,-0.4 -0.983 13.9 176.3-121.2 119.0 -26.6 10.1 -30.2 91 106 A V E -dF 43 82D 0 -49,-2.2 -47,-1.5 -2,-0.5 -9,-0.2 -0.978 20.3-143.6-130.5 122.7 -25.6 8.5 -26.9 92 107 A S E -d 44 0D 1 -11,-2.1 -47,-0.3 -2,-0.4 -46,-0.1 -0.412 13.3-175.8 -71.3 159.1 -22.4 9.0 -24.9 93 108 A H - 0 0 0 -49,-1.6 -48,-0.2 1,-0.2 10,-0.2 0.314 23.8-139.7-139.7 7.5 -20.9 5.9 -23.0 94 109 A G - 0 0 23 -49,-1.9 2,-0.5 -50,-0.4 -1,-0.2 -0.115 49.9 -31.9 54.9-154.0 -17.9 7.1 -21.0 95 110 A M S S+ 0 0 17 278,-0.1 298,-0.6 294,-0.1 4,-0.3 -0.851 95.1 3.9-109.5 125.8 -14.7 5.0 -20.7 96 111 A G S > S- 0 0 0 -2,-0.5 4,-1.9 296,-0.2 3,-0.3 0.013 86.0 -64.4 100.9 160.8 -14.3 1.2 -20.8 97 112 A I H > S+ 0 0 7 137,-0.3 4,-2.8 98,-0.3 5,-0.2 0.888 126.3 48.4 -43.7 -57.3 -16.3 -2.0 -21.2 98 113 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 394,-0.2 0.847 109.7 51.8 -60.1 -39.8 -18.4 -1.6 -18.0 99 114 A S H > S+ 0 0 2 290,-0.4 4,-1.5 -4,-0.3 -2,-0.2 0.932 116.2 39.5 -62.6 -46.1 -19.4 1.9 -18.8 100 115 A I H X S+ 0 0 0 -4,-1.9 4,-3.2 1,-0.2 -1,-0.2 0.860 111.0 58.6 -75.2 -36.5 -20.6 1.1 -22.3 101 116 A S H X S+ 0 0 1 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.892 106.1 48.6 -55.6 -44.2 -22.2 -2.2 -21.3 102 117 A I H X S+ 0 0 2 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.943 113.8 47.0 -62.3 -45.7 -24.5 -0.5 -18.8 103 118 A M H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.928 113.2 49.4 -59.3 -46.4 -25.4 2.0 -21.5 104 119 A L H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 5,-0.3 0.880 107.3 52.5 -64.8 -43.4 -26.0 -0.8 -24.0 105 120 A H H X S+ 0 0 1 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.946 118.2 38.2 -55.0 -48.4 -28.2 -2.9 -21.7 106 121 A E H X S+ 0 0 0 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.730 116.1 52.2 -78.0 -25.8 -30.5 0.1 -21.1 107 122 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.916 109.9 47.0 -75.2 -48.1 -30.3 1.4 -24.7 108 123 A I H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.949 113.7 49.1 -57.3 -50.1 -31.3 -1.9 -26.3 109 124 A K H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.3 5,-0.2 0.892 109.9 53.0 -53.8 -41.8 -34.2 -2.2 -23.8 110 125 A L H X S+ 0 0 0 -4,-1.4 4,-1.3 1,-0.2 -1,-0.2 0.868 109.8 47.0 -62.9 -37.8 -35.1 1.5 -24.7 111 126 A L H <>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 4,-0.3 0.880 110.8 53.4 -72.0 -37.3 -35.2 0.6 -28.4 112 127 A Y H ><5S+ 0 0 102 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.965 109.0 46.3 -59.2 -55.6 -37.2 -2.5 -27.7 113 128 A Y H 3<5S+ 0 0 43 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.793 110.8 55.1 -58.6 -30.4 -39.9 -0.6 -25.7 114 129 A A T 3<5S- 0 0 1 -4,-1.3 -1,-0.3 -83,-0.3 -2,-0.2 0.499 111.3-126.0 -78.6 -7.7 -40.0 2.0 -28.5 115 130 A R T < 5 + 0 0 198 -3,-2.1 -3,-0.2 -4,-0.3 -2,-0.1 0.735 46.2 175.3 66.2 24.9 -40.6 -0.8 -31.0 116 131 A C < - 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