==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 18-DEC-96 1XDA . COMPND 2 MOLECULE: FATTY ACID ACYLATED INSULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.L.WHITTINGHAM,S.HAVELUND,I.JONASSEN . 200 8 12 4 8 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12644.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 8.0 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 . 0 0.0 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 . 5 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 45.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 5 1 1 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A G > 0 0 60 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 178.3 15.7 11.5 14.2 2 2 A I H > + 0 0 4 47,-0.4 4,-2.7 2,-0.2 5,-0.3 0.808 360.0 55.9 -59.4 -29.3 14.2 8.5 15.9 3 3 A V H > S+ 0 0 10 46,-0.4 4,-2.1 47,-0.2 5,-0.4 0.963 111.0 43.7 -70.4 -40.7 11.0 8.4 13.8 4 4 A E H > S+ 0 0 102 1,-0.2 4,-0.5 46,-0.2 -2,-0.2 0.917 122.3 39.0 -66.9 -39.2 12.9 8.3 10.5 5 5 A Q H < S+ 0 0 68 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.866 127.1 29.3 -78.9 -37.3 15.3 5.7 11.9 6 6 A a H < S+ 0 0 12 -4,-2.7 5,-0.4 -5,-0.2 -3,-0.2 0.513 116.4 52.0-112.1 -1.9 13.0 3.4 14.0 7 7 A b H < S+ 0 0 41 -4,-2.1 -3,-0.1 -5,-0.3 -1,-0.1 0.608 112.6 45.8-103.6 -13.0 9.6 3.7 12.3 8 8 A T S < S+ 0 0 118 -4,-0.5 2,-0.3 -5,-0.4 -2,-0.1 0.610 129.5 16.4 -97.3 -16.1 10.9 2.8 8.8 9 9 A S S S- 0 0 78 -4,-0.3 2,-0.4 -5,-0.1 -1,-0.3 -0.980 92.9 -96.0-145.4 148.9 13.0 -0.1 10.1 10 10 A I - 0 0 164 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 -0.589 39.5-144.3 -74.7 126.4 12.9 -2.1 13.5 11 11 A a - 0 0 14 -2,-0.4 -5,-0.0 -5,-0.4 2,-0.0 -0.781 9.2-132.2 -89.1 132.0 15.5 -0.6 15.9 12 12 A S > - 0 0 54 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.223 31.5-102.7 -67.5 168.4 17.3 -3.0 18.2 13 13 A L H > S+ 0 0 102 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.896 125.4 56.7 -62.3 -32.6 17.6 -2.1 21.9 14 14 A Y H 4 S+ 0 0 179 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.888 108.8 45.5 -65.4 -37.2 21.2 -1.0 21.2 15 15 A Q H >4 S+ 0 0 61 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.866 108.4 56.5 -71.1 -34.8 19.9 1.4 18.6 16 16 A L H >< S+ 0 0 10 -4,-2.4 3,-2.1 1,-0.3 -1,-0.2 0.847 93.5 70.3 -66.8 -30.2 17.1 2.7 20.9 17 17 A E G >< S+ 0 0 80 -4,-1.7 3,-1.7 1,-0.3 -1,-0.3 0.705 80.2 77.1 -63.1 -13.2 19.8 3.5 23.4 18 18 A N G < S+ 0 0 107 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.651 92.5 51.6 -65.0 -20.7 20.9 6.3 21.1 19 19 A Y G < S+ 0 0 33 -3,-2.1 28,-2.2 -4,-0.1 -1,-0.3 0.270 85.5 110.3-103.4 13.0 17.9 8.4 22.3 20 20 A c B < A 46 0A 13 -3,-1.7 26,-0.3 26,-0.2 25,-0.1 -0.502 360.0 360.0 -79.5 160.2 18.6 8.0 26.0 21 21 A N 0 0 85 24,-2.2 25,-0.2 79,-0.2 -1,-0.1 0.634 360.0 360.0 -76.9 360.0 19.8 11.1 28.0 22 !* 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 23 1 B F > 0 0 179 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 104.0 0.2 10.1 9.4 24 2 B V H > + 0 0 110 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.938 360.0 55.6 -60.9 -41.9 -1.8 8.0 11.9 25 3 B N H > S+ 0 0 110 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.881 107.4 50.3 -63.9 -31.5 0.5 5.0 11.5 26 4 B Q H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.918 109.6 50.7 -67.5 -39.1 3.4 7.3 12.4 27 5 B H H X S+ 0 0 85 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.951 111.8 48.2 -62.8 -43.5 1.5 8.5 15.5 28 6 B L H X S+ 0 0 90 -4,-3.0 4,-1.6 1,-0.2 3,-0.3 0.953 110.4 50.9 -62.0 -47.2 0.9 4.8 16.4 29 7 B b H X S+ 0 0 31 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.938 106.3 55.1 -57.2 -41.7 4.6 4.0 15.9 30 8 B G H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.839 102.0 57.5 -64.8 -36.4 5.8 6.9 18.2 31 9 B S H X S+ 0 0 24 -4,-1.5 4,-1.7 -3,-0.3 -1,-0.2 0.939 110.4 43.9 -60.2 -45.3 3.6 5.6 21.1 32 10 B H H X S+ 0 0 119 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.890 110.6 55.5 -70.1 -31.3 5.5 2.3 20.9 33 11 B L H X S+ 0 0 13 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.921 106.0 51.3 -65.2 -43.4 8.9 4.1 20.6 34 12 B V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.889 109.8 48.7 -66.8 -36.5 8.3 6.1 23.8 35 13 B E H X S+ 0 0 97 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.911 112.2 49.0 -71.0 -33.3 7.4 3.0 25.8 36 14 B A H X S+ 0 0 25 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.942 110.8 50.7 -65.5 -40.9 10.6 1.2 24.5 37 15 B L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.885 106.1 56.6 -62.0 -41.0 12.7 4.3 25.3 38 16 B Y H X S+ 0 0 22 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.924 113.8 38.4 -57.4 -46.5 11.3 4.3 28.8 39 17 B L H < S+ 0 0 122 -4,-1.8 3,-0.3 2,-0.2 -2,-0.2 0.957 118.6 46.8 -67.6 -48.8 12.4 0.7 29.4 40 18 B V H < S+ 0 0 25 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.873 114.1 45.6 -61.9 -41.4 15.7 0.9 27.6 41 19 B c H >< S+ 0 0 1 -4,-2.7 3,-1.6 -5,-0.2 -1,-0.2 0.718 79.2 172.7 -86.8 -18.4 16.9 4.1 29.2 42 20 B G G >< + 0 0 40 -4,-1.2 3,-1.8 -3,-0.3 -1,-0.2 -0.168 69.2 0.0 50.9-135.4 16.0 3.4 32.8 43 21 B E G 3 S+ 0 0 175 1,-0.3 -1,-0.3 58,-0.1 -2,-0.1 0.746 126.7 67.3 -63.8 -18.8 17.3 6.0 35.2 44 22 B R G < S- 0 0 107 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.779 90.2-155.5 -68.0 -27.1 18.9 8.1 32.5 45 23 B G < - 0 0 0 -3,-1.8 -24,-2.2 -7,-0.2 2,-0.3 -0.156 10.6-124.0 73.8-176.0 15.5 9.0 31.0 46 24 B F E -AB 20 100A 0 54,-1.3 54,-3.1 -26,-0.3 2,-0.4 -0.895 4.3-111.4-151.1-178.0 15.3 9.9 27.3 47 25 B F E - B 0 99A 55 -28,-2.2 2,-0.6 -2,-0.3 52,-0.2 -0.990 15.3-161.1-130.4 136.1 14.3 12.5 24.8 48 26 B Y E + B 0 98A 7 50,-2.6 50,-2.1 -2,-0.4 3,-0.1 -0.967 18.2 169.9-117.9 108.0 11.4 12.1 22.3 49 27 B T + 0 0 54 -2,-0.6 -47,-0.4 48,-0.2 -46,-0.4 -0.907 14.5 172.8-123.5 98.0 11.8 14.6 19.4 50 28 B P 0 0 14 0, 0.0 -47,-0.2 0, 0.0 -46,-0.2 0.986 360.0 360.0 -63.2 -74.9 9.5 14.1 16.5 51 29 B K 0 0 147 44,-0.8 -2,-0.1 -3,-0.1 44,-0.1 -0.073 360.0 360.0-105.0 360.0 10.7 17.2 15.1 52 !* 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 53 1 C G > 0 0 76 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 178.8 9.7 16.4 39.0 54 2 C I H > + 0 0 11 47,-0.4 4,-2.7 1,-0.2 5,-0.2 0.851 360.0 52.1 -63.0 -33.4 6.9 14.9 36.9 55 3 C V H > S+ 0 0 8 46,-0.3 4,-1.8 2,-0.2 5,-0.2 0.952 110.9 45.7 -68.3 -42.9 7.1 11.6 38.9 56 4 C E H 4 S+ 0 0 108 1,-0.2 4,-0.3 2,-0.2 -2,-0.2 0.909 121.7 38.4 -66.7 -39.0 6.8 13.3 42.3 57 5 C Q H X S+ 0 0 76 -4,-2.3 4,-0.8 1,-0.1 3,-0.3 0.941 124.9 33.5 -72.5 -54.5 3.9 15.5 41.1 58 6 C d H < S+ 0 0 11 -4,-2.7 5,-0.4 -5,-0.3 -3,-0.2 0.498 113.2 56.1 -97.8 7.5 1.9 13.2 38.9 59 7 C e T < S+ 0 0 34 -4,-1.8 -1,-0.2 -5,-0.2 -3,-0.1 0.515 114.2 41.3-110.4 -0.8 2.5 9.8 40.6 60 8 C T T 4 S+ 0 0 71 -4,-0.3 2,-0.3 -3,-0.3 -2,-0.2 0.545 127.7 25.6-113.7 -15.2 1.1 11.2 43.9 61 9 C S S < S- 0 0 78 -4,-0.8 2,-0.5 66,-0.1 -1,-0.3 -0.992 89.8-103.4-139.8 147.8 -1.8 13.1 42.3 62 10 C I - 0 0 167 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 -0.643 40.8-144.3 -76.5 122.3 -3.7 12.7 39.0 63 11 C d - 0 0 18 -2,-0.5 2,-0.1 -5,-0.4 -5,-0.0 -0.684 7.1-135.1 -86.5 134.8 -2.4 15.3 36.7 64 12 C S > - 0 0 51 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.282 33.4 -98.0 -72.6 175.2 -4.7 17.0 34.3 65 13 C L H > S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.836 126.7 54.7 -63.2 -36.1 -3.7 17.5 30.6 66 14 C Y H > S+ 0 0 178 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.885 108.3 47.4 -63.5 -39.5 -2.8 21.1 31.5 67 15 C Q H 4 S+ 0 0 80 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.856 113.0 48.6 -69.1 -36.8 -0.5 19.9 34.3 68 16 C L H >< S+ 0 0 12 -4,-2.2 3,-2.2 1,-0.2 4,-0.2 0.915 101.1 63.6 -66.8 -42.1 1.1 17.3 32.0 69 17 C E H >< S+ 0 0 84 -4,-2.2 3,-2.0 1,-0.3 -1,-0.2 0.832 88.3 73.4 -57.3 -18.7 1.6 19.9 29.2 70 18 C N T 3< S+ 0 0 138 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.763 94.5 52.3 -64.1 -27.9 4.0 21.8 31.7 71 19 C Y T < S+ 0 0 47 -3,-2.2 28,-0.6 -4,-0.3 -1,-0.3 0.409 87.3 107.8 -92.9 0.8 6.6 19.1 31.1 72 20 C f B < C 98 0A 19 -3,-2.0 26,-0.2 -4,-0.2 25,-0.1 -0.380 360.0 360.0 -73.2 156.4 6.5 19.3 27.3 73 21 C N 0 0 115 24,-2.1 25,-0.2 -2,-0.1 -1,-0.1 0.589 360.0 360.0 -71.7 360.0 9.4 20.8 25.4 74 !* 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 75 1 D F >> 0 0 110 0, 0.0 4,-1.6 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 94.1 10.5 0.8 43.4 76 2 D V H 3> + 0 0 104 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.854 360.0 58.3 -53.6 -46.5 8.2 -1.0 41.0 77 3 D N H 3> S+ 0 0 106 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.868 109.4 46.3 -57.2 -37.5 5.0 1.1 41.6 78 4 D Q H <> S+ 0 0 48 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.879 110.9 54.1 -67.0 -37.7 6.9 4.3 40.5 79 5 D H H X S+ 0 0 87 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.939 111.1 44.9 -62.0 -47.6 8.3 2.3 37.5 80 6 D L H >X S+ 0 0 93 -4,-2.9 4,-1.4 2,-0.2 3,-0.6 0.926 112.4 50.9 -63.4 -46.2 4.7 1.4 36.5 81 7 D e H 3X S+ 0 0 31 -4,-2.5 4,-2.5 -5,-0.2 3,-0.3 0.933 107.3 54.0 -57.5 -42.5 3.4 4.9 37.0 82 8 D G H 3X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.779 101.6 59.0 -62.0 -36.0 6.2 6.4 34.9 83 9 D S H < S+ 0 0 3 -4,-2.8 3,-1.7 -5,-0.2 -1,-0.2 0.754 81.5 167.3 -76.4 -33.4 3.1 17.3 23.8 94 20 D G G >< + 0 0 36 -4,-1.3 3,-1.9 -5,-0.4 -1,-0.2 -0.165 69.4 3.5 57.0-134.3 2.5 16.1 20.2 95 21 D E G 3 S+ 0 0 166 1,-0.3 -44,-0.8 -45,-0.1 -1,-0.3 0.756 126.1 68.2 -56.4 -23.4 4.9 17.7 17.7 96 22 D R G < S- 0 0 110 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.798 86.7-163.4 -66.9 -28.8 6.7 19.5 20.5 97 23 D G < - 0 0 0 -3,-1.9 -24,-2.1 -7,-0.2 2,-0.3 -0.173 4.4-133.0 69.7-168.4 8.1 16.3 22.0 98 24 D F E -BC 48 72A 1 -50,-2.1 -50,-2.6 -26,-0.2 2,-0.4 -0.983 7.4-115.5-173.1 166.2 9.6 16.2 25.5 99 25 D F E -B 47 0A 96 -28,-0.6 2,-0.6 -2,-0.3 -52,-0.2 -0.906 25.0-151.1-112.5 138.7 12.4 15.1 27.7 100 26 D Y E +B 46 0A 5 -54,-3.1 -54,-1.3 -2,-0.4 -79,-0.2 -0.976 18.5 173.9-116.2 117.6 11.6 12.5 30.3 101 27 D T - 0 0 90 -2,-0.6 -47,-0.4 -56,-0.2 -46,-0.3 -0.980 16.0-159.1-128.7 108.4 13.8 12.7 33.4 102 28 D P 0 0 38 0, 0.0 -48,-0.0 0, 0.0 -59,-0.0 0.030 360.0 360.0 -76.0-177.0 12.8 10.3 36.2 103 29 D K 0 0 146 -50,-0.1 -60,-0.1 -25,-0.0 -25,-0.0 0.667 360.0 360.0 -99.0 360.0 13.5 10.3 39.9 104 !* 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 0.0 105 1 E G > 0 0 68 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 167.5 16.6 9.5 53.7 106 2 E I H > + 0 0 5 47,-0.3 4,-3.4 2,-0.2 5,-0.2 0.832 360.0 54.0 -60.7 -31.9 15.0 6.6 55.6 107 3 E V H > S+ 0 0 8 46,-0.4 4,-2.3 2,-0.2 5,-0.3 0.979 111.7 43.4 -69.8 -48.9 11.8 6.9 53.6 108 4 E E H 4 S+ 0 0 74 1,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.900 122.9 39.6 -57.8 -43.1 13.6 6.6 50.3 109 5 E Q H < S+ 0 0 65 -4,-2.5 4,-0.3 1,-0.1 -2,-0.2 0.888 127.1 28.9 -75.5 -38.7 15.8 3.7 51.7 110 6 E g H < S+ 0 0 11 -4,-3.4 5,-0.5 -5,-0.2 -3,-0.2 0.515 113.5 55.6-114.7 6.2 13.3 1.8 53.7 111 7 E h S < S+ 0 0 38 -4,-2.3 -3,-0.1 -5,-0.2 -1,-0.1 0.492 111.2 47.9-106.1 -6.4 9.9 2.3 52.1 112 8 E T S S+ 0 0 56 -4,-0.4 2,-0.3 -5,-0.3 -36,-0.2 0.588 127.9 14.2-100.7 -21.4 11.2 1.0 48.7 113 9 E S S S- 0 0 83 -4,-0.3 2,-0.8 -38,-0.1 -1,-0.3 -0.966 91.4 -95.2-144.1 157.7 12.9 -2.1 50.2 114 10 E I - 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0 0 156 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 -0.459 37.2-149.9 -62.3 130.3 -1.4 12.8 79.3 167 11 G j - 0 0 18 -5,-0.4 2,-0.1 -2,-0.3 -5,-0.0 -0.861 9.4-134.1-103.2 134.3 0.0 15.3 76.8 168 12 G S > - 0 0 49 -2,-0.4 4,-2.5 1,-0.1 3,-0.4 -0.309 33.3-100.3 -72.0 173.7 -2.3 16.9 74.3 169 13 G L H > S+ 0 0 95 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.824 126.6 56.2 -62.7 -27.7 -1.3 17.1 70.6 170 14 G Y H > S+ 0 0 168 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.871 107.4 45.4 -73.0 -35.1 -0.3 20.7 71.4 171 15 G Q H >4 S+ 0 0 76 -3,-0.4 3,-0.5 1,-0.2 4,-0.3 0.851 112.8 52.1 -73.1 -34.7 2.1 19.7 74.2 172 16 G L H >< S+ 0 0 12 -4,-2.5 3,-2.3 1,-0.2 4,-0.3 0.879 97.2 66.9 -68.2 -34.8 3.5 17.0 71.9 173 17 G E H >< S+ 0 0 79 -4,-1.9 3,-1.8 1,-0.3 -1,-0.2 0.823 85.6 72.1 -55.7 -27.4 4.1 19.6 69.2 174 18 G N T << S+ 0 0 125 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.829 93.6 54.4 -57.4 -31.0 6.7 21.2 71.4 175 19 G Y T < S+ 0 0 69 -3,-2.3 28,-0.6 -4,-0.3 -1,-0.3 0.493 88.5 105.2 -86.5 1.0 9.0 18.2 70.7 176 20 G l B < F 202 0B 19 -3,-1.8 26,-0.2 -4,-0.3 25,-0.1 -0.377 360.0 360.0 -72.4 161.9 8.8 18.6 66.9 177 21 G N 0 0 100 24,-2.3 25,-0.1 -2,-0.1 -1,-0.1 0.753 360.0 360.0 -73.0 360.0 11.5 19.9 64.7 178 !* 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 0.0 179 1 H F >> 0 0 183 0, 0.0 4,-1.8 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 97.1 10.1 -0.6 83.5 180 2 H V H 3> + 0 0 106 1,-0.2 4,-2.5 2,-0.2 3,-0.2 0.911 360.0 55.8 -52.0 -46.5 7.8 -2.3 80.9 181 3 H N H 3> S+ 0 0 109 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.861 107.1 51.3 -56.4 -36.2 5.0 0.3 81.3 182 4 H Q H <> S+ 0 0 67 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.897 109.6 50.3 -62.9 -41.0 7.5 3.0 80.4 183 5 H H H X S+ 0 0 95 -4,-1.8 4,-1.5 -3,-0.2 -2,-0.2 0.925 112.1 46.9 -63.5 -40.6 8.5 1.0 77.3 184 6 H L H X S+ 0 0 94 -4,-2.5 4,-1.5 2,-0.2 3,-0.4 0.952 110.8 52.4 -68.1 -42.0 4.9 0.6 76.3 185 7 H k H X S+ 0 0 32 -4,-2.8 4,-2.3 1,-0.2 3,-0.4 0.941 105.3 54.3 -60.4 -45.1 4.2 4.3 76.8 186 8 H G H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.851 101.7 59.6 -59.7 -34.8 7.1 5.4 74.6 187 9 H S H X S+ 0 0 25 -4,-1.5 4,-1.5 -3,-0.4 -1,-0.2 0.909 110.0 42.3 -58.6 -45.8 5.8 3.3 71.7 188 10 H H H X S+ 0 0 141 -4,-1.5 4,-2.1 -3,-0.4 -2,-0.2 0.896 109.6 58.1 -71.7 -32.9 2.6 5.4 71.8 189 11 H L H X S+ 0 0 14 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.888 106.0 48.3 -62.4 -45.7 4.4 8.6 72.3 190 12 H V H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.844 109.0 53.0 -68.4 -32.3 6.4 8.2 69.0 191 13 H E H X S+ 0 0 62 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.911 112.1 46.8 -63.2 -41.4 3.2 7.3 67.0 192 14 H A H X S+ 0 0 31 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.945 111.4 49.6 -65.5 -48.2 1.7 10.5 68.3 193 15 H L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.939 107.8 55.2 -58.4 -41.3 4.7 12.6 67.5 194 16 H Y H X S+ 0 0 13 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.921 112.4 43.8 -53.4 -45.9 4.8 11.1 64.0 195 17 H L H < S+ 0 0 110 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.944 118.7 40.8 -66.2 -45.6 1.2 12.3 63.5 196 18 H V H < S+ 0 0 29 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.902 113.7 50.2 -76.2 -35.6 1.5 15.8 65.0 197 19 H l H >< S+ 0 0 1 -4,-2.9 3,-2.3 -5,-0.2 -1,-0.2 0.766 80.4 171.0 -77.8 -20.7 4.9 16.7 63.5 198 20 H G G >< S- 0 0 37 -4,-1.2 3,-1.4 -5,-0.3 -1,-0.2 -0.129 70.5 -5.3 46.5-136.7 3.9 15.7 60.0 199 21 H E G 3 S+ 0 0 174 1,-0.2 -1,-0.3 -46,-0.1 -2,-0.1 0.627 123.5 77.9 -68.4 -1.5 6.5 16.8 57.4 200 22 H R G < S- 0 0 103 -3,-2.3 -1,-0.2 -4,-0.1 -2,-0.2 0.875 84.1-158.0 -70.4 -34.1 8.5 18.6 60.2 201 23 H G < - 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