==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 07-MAR-02 1L5T . COMPND 2 MOLECULE: LACTOFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.B.JAMESON,B.F.ANDERSON,W.A.BREYER,J.W.TWEEDIE,E.N.BAKER . 658 2 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30691.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 439 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 0.2 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 . 41 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 0 2 4 3 1 2 4 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 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 PARALLEL BRIDGES PER LADDER . 0 2 6 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 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 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 4 A R 0 0 120 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -96.1 104.8 44.4 48.3 2 5 A S - 0 0 28 27,-0.0 2,-0.4 30,-0.0 29,-0.2 -0.217 360.0-100.1 136.3 143.3 103.6 47.0 45.8 3 6 A V E -a 31 0A 2 27,-1.2 29,-1.7 260,-0.2 2,-0.8 -0.688 31.2-142.1 -84.7 130.0 100.3 48.9 45.1 4 7 A Q E -a 32 0A 45 -2,-0.4 48,-3.6 27,-0.2 49,-1.5 -0.824 15.2-155.9-101.4 106.6 98.2 47.4 42.3 5 8 A W E -ab 33 53A 0 27,-2.1 29,-1.3 -2,-0.8 2,-0.5 -0.377 8.5-135.1 -77.3 154.8 96.4 50.1 40.2 6 9 A a E -a 34 0A 0 47,-1.1 2,-0.5 27,-0.2 49,-0.3 -0.957 12.2-161.1-116.8 119.0 93.2 49.4 38.2 7 10 A A E -a 35 0A 1 27,-3.5 29,-2.3 -2,-0.5 31,-0.2 -0.822 6.1-161.6 -94.2 130.4 92.9 50.7 34.7 8 11 A V S S+ 0 0 42 -2,-0.5 2,-0.2 27,-0.2 -1,-0.1 0.640 75.7 31.7 -87.7 -11.6 89.4 50.9 33.4 9 12 A S S > S- 0 0 35 1,-0.1 4,-1.8 29,-0.0 27,-0.1 -0.814 83.3-111.1-135.4 172.2 90.5 51.1 29.8 10 13 A Q H > S+ 0 0 121 -2,-0.2 4,-2.2 2,-0.2 5,-0.2 0.963 118.5 50.1 -78.6 -44.3 93.3 49.8 27.6 11 14 A P H > S+ 0 0 44 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.866 109.8 54.3 -54.1 -31.2 94.9 53.3 27.0 12 15 A E H > S+ 0 0 22 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.968 104.5 54.6 -66.7 -41.4 94.7 53.6 30.8 13 16 A A H >X S+ 0 0 5 -4,-1.8 4,-2.6 1,-0.2 3,-0.6 0.934 105.0 52.6 -53.4 -50.3 96.6 50.3 31.0 14 17 A T H 3X S+ 0 0 90 -4,-2.2 4,-2.2 1,-0.3 -1,-0.2 0.898 108.2 49.8 -58.0 -39.8 99.4 51.6 28.8 15 18 A K H 3X S+ 0 0 4 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.3 0.834 111.3 50.5 -72.5 -22.9 99.9 54.7 31.0 16 19 A b H X S+ 0 0 0 -4,-1.5 4,-1.4 2,-0.2 3,-0.6 0.945 111.3 48.7 -65.8 -48.0 104.0 54.5 35.3 20 23 A Q H 3X S+ 0 0 39 -4,-3.5 4,-1.2 1,-0.2 3,-0.5 0.933 113.5 43.4 -61.5 -49.6 105.2 51.3 36.9 21 24 A R H 3X S+ 0 0 140 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.582 113.2 54.4 -75.8 -8.0 108.4 50.9 34.8 22 25 A N H S+ 0 0 1 -4,-1.4 5,-3.7 -3,-0.5 -2,-0.2 0.744 108.0 54.0 -77.3 -28.5 108.9 54.2 39.1 24 27 A R H ><5S+ 0 0 162 -4,-1.2 3,-3.0 3,-0.2 -2,-0.2 0.981 104.9 51.4 -64.0 -59.9 111.5 51.5 38.6 25 28 A K H 3<5S+ 0 0 84 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.885 112.6 45.5 -44.0 -52.9 113.9 53.7 36.8 26 29 A V T 3<5S- 0 0 45 -4,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.337 113.7-122.7 -78.3 8.8 113.7 56.4 39.5 27 30 A R T < 5 + 0 0 224 -3,-3.0 -3,-0.2 1,-0.1 -2,-0.1 0.898 64.9 137.7 49.3 49.6 114.0 53.6 42.0 28 31 A G < - 0 0 24 -5,-3.7 -1,-0.1 1,-0.2 239,-0.1 -0.389 62.6 -48.6-108.6-170.9 110.8 54.5 43.8 29 32 A P - 0 0 26 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.389 65.7-116.0 -63.1 139.0 107.9 52.4 45.2 30 33 A P - 0 0 73 0, 0.0 -27,-1.2 0, 0.0 2,-0.4 -0.425 26.9-165.6 -75.3 149.2 106.7 49.8 42.7 31 34 A V E -a 3 0A 1 -29,-0.2 -27,-0.2 -11,-0.2 2,-0.2 -0.999 2.4-160.0-134.8 132.2 103.2 49.7 41.1 32 35 A S E -a 4 0A 29 -29,-1.7 -27,-2.1 -2,-0.4 2,-0.4 -0.548 17.4-129.7-100.5 171.4 101.6 46.8 39.3 33 36 A b E -a 5 0A 17 -29,-0.2 2,-0.4 -2,-0.2 -27,-0.2 -0.960 16.3-169.0-131.7 152.6 98.7 47.2 36.9 34 37 A I E -a 6 0A 20 -29,-1.3 -27,-3.5 -2,-0.4 2,-0.4 -0.998 14.3-145.8-131.7 127.8 95.3 45.6 36.4 35 38 A K E +a 7 0A 69 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.803 25.2 165.8 -94.5 143.3 93.0 46.1 33.4 36 39 A R - 0 0 65 -29,-2.3 -23,-0.1 -2,-0.4 -2,-0.0 -0.887 39.8-125.1-141.8 172.8 89.3 46.0 33.9 37 40 A D S S+ 0 0 106 -2,-0.3 -29,-0.1 1,-0.2 3,-0.1 0.415 84.6 14.0-104.1 2.5 86.3 47.1 31.7 38 41 A S S > S- 0 0 33 -31,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.982 73.0-107.2-167.8 156.4 84.6 49.5 34.0 39 42 A P H > S+ 0 0 37 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.884 119.8 50.3 -57.9 -39.7 84.9 51.6 37.2 40 43 A I H > S+ 0 0 45 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.952 107.2 52.5 -66.4 -44.1 82.5 49.3 39.0 41 44 A Q H > S+ 0 0 65 1,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.898 111.8 47.6 -55.5 -41.3 84.5 46.2 37.9 42 45 A a H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.863 109.6 53.2 -65.8 -38.3 87.6 47.9 39.3 43 46 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.948 112.8 43.6 -63.1 -43.7 85.6 48.7 42.5 44 47 A Q H X S+ 0 0 74 -4,-3.5 4,-3.8 2,-0.2 -2,-0.2 0.963 113.1 52.4 -64.4 -48.6 84.7 45.0 42.8 45 48 A A H <>S+ 0 0 4 -4,-3.2 5,-3.2 2,-0.2 6,-0.6 0.938 113.8 41.1 -49.1 -60.4 88.3 44.0 42.0 46 49 A I H ><5S+ 0 0 0 -4,-2.8 3,-1.4 4,-0.3 -1,-0.2 0.926 114.6 56.7 -52.2 -48.5 89.8 46.3 44.6 47 50 A A H 3<5S+ 0 0 27 -4,-2.7 2,-1.3 -5,-0.3 -2,-0.2 0.935 108.8 43.0 -46.1 -64.9 87.0 45.1 46.8 48 51 A E T 3<5S- 0 0 140 -4,-3.8 -1,-0.3 1,-0.1 -2,-0.1 -0.273 122.7-104.2 -86.8 51.4 87.8 41.4 46.4 49 52 A N T < 5S+ 0 0 106 -3,-1.4 -3,-0.2 -2,-1.3 -2,-0.1 0.640 89.1 120.8 39.5 34.7 91.5 42.2 46.9 50 53 A R S - 0 0 55 -2,-0.3 4,-2.6 193,-0.2 5,-0.2 -0.375 46.7 -91.1 -84.4 170.3 84.5 60.6 40.6 58 61 A G H > S+ 0 0 9 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.911 123.9 56.6 -46.9 -56.6 81.8 61.4 43.2 59 62 A G H > S+ 0 0 25 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.889 114.8 35.8 -43.4 -59.3 79.3 59.1 41.6 60 63 A F H > S+ 0 0 63 1,-0.2 4,-3.3 2,-0.2 -1,-0.3 0.775 110.9 63.2 -72.4 -23.0 81.5 56.0 41.9 61 64 A I H X S+ 0 0 3 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.937 106.5 46.0 -62.0 -38.7 82.8 57.4 45.2 62 65 A Y H X S+ 0 0 5 -4,-2.9 4,-0.6 -5,-0.2 3,-0.3 0.961 116.1 44.8 -60.1 -55.8 79.1 56.9 46.3 63 66 A E H >< S+ 0 0 58 -4,-2.0 3,-0.9 1,-0.2 6,-0.2 0.871 109.3 53.7 -56.2 -49.8 78.9 53.5 44.7 64 67 A A H 3< S+ 0 0 1 -4,-3.3 7,-2.0 1,-0.2 6,-0.2 0.839 103.9 57.3 -60.1 -35.3 82.2 52.1 46.0 65 68 A G H 3< S+ 0 0 10 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.692 88.6 96.4 -73.3 -18.6 81.4 53.0 49.6 66 69 A L S XX S- 0 0 53 -3,-0.9 3,-3.5 -4,-0.6 4,-1.1 -0.387 83.4 -64.7 -72.9 149.0 78.2 50.9 49.6 67 70 A A T 34 S+ 0 0 70 1,-0.4 -1,-0.1 2,-0.3 -2,-0.1 -0.439 120.7 36.1 -61.6 145.7 78.1 47.4 50.9 68 71 A P T 34 S+ 0 0 112 0, 0.0 -1,-0.4 0, 0.0 -2,-0.1 -0.911 128.3 40.9 -90.1 27.6 79.4 45.1 50.0 69 72 A Y T <4 - 0 0 52 -3,-3.5 187,-0.3 -6,-0.2 -2,-0.3 0.920 61.4-177.2 -97.1 -52.5 82.3 47.3 49.1 70 73 A K < + 0 0 117 -4,-1.1 186,-0.8 -6,-0.2 -5,-0.3 0.914 24.7 165.8 59.8 38.2 82.8 49.7 51.9 71 74 A L E -D 255 0B 5 -7,-2.0 242,-0.4 -5,-0.2 184,-0.2 -0.483 17.2-159.2 -83.6 162.1 85.7 51.4 50.0 72 75 A R E -D 254 0B 20 182,-3.4 182,-1.7 -2,-0.1 2,-0.2 -0.998 21.7-103.9-145.5 147.8 86.9 54.8 51.2 73 76 A P E +D 253 0B 1 0, 0.0 180,-0.2 0, 0.0 238,-0.2 -0.462 37.1 165.3 -70.2 137.8 88.9 57.8 49.8 74 77 A V E + 0 0 0 178,-2.4 233,-2.5 1,-0.3 2,-0.3 0.543 66.1 31.2-124.3 -21.3 92.5 58.0 51.0 75 78 A A E -DE 252 306B 0 177,-0.8 177,-4.1 231,-0.3 2,-0.5 -0.980 69.4-150.0-146.0 129.0 94.0 60.5 48.6 76 79 A A E -DE 251 305B 5 229,-3.4 229,-1.5 -2,-0.3 175,-0.2 -0.858 18.0-122.5-109.4 130.6 92.4 63.4 46.8 77 80 A E E - E 0 304B 2 173,-3.0 2,-0.5 -2,-0.5 227,-0.2 -0.182 29.4-142.5 -56.6 156.2 93.3 64.9 43.5 78 81 A V - 0 0 15 225,-1.7 224,-2.0 2,-0.1 225,-0.3 -0.937 16.8-171.0-132.1 119.7 94.2 68.6 43.7 79 82 A Y E +F 86 0C 16 7,-2.2 7,-4.3 -2,-0.5 2,-0.4 -0.525 46.7 44.9-103.1 174.9 93.3 71.2 41.1 80 83 A G E S-F 85 0C 28 220,-0.4 2,-0.3 5,-0.3 -2,-0.1 -0.791 96.3 -41.9 98.6-140.5 94.2 74.9 40.6 81 84 A T - 0 0 51 3,-2.4 221,-0.1 -2,-0.4 -2,-0.0 -0.857 43.6-113.0-124.8 161.9 97.8 76.0 41.0 82 85 A E S S+ 0 0 149 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.898 127.4 46.0 -55.1 -38.2 100.7 75.3 43.3 83 86 A R S S+ 0 0 216 1,-0.3 -1,-0.2 -3,-0.0 -3,-0.0 0.933 130.8 20.8 -63.8 -52.4 100.1 78.9 44.3 84 87 A Q S S+ 0 0 124 2,-0.0 -3,-2.4 0, 0.0 -1,-0.3 -0.703 81.2 178.5-125.4 78.5 96.3 78.5 44.5 85 88 A P E -F 80 0C 75 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.493 4.4-171.3 -80.0 149.5 95.4 74.8 45.0 86 89 A R E -F 79 0C 98 -7,-4.3 -7,-2.2 -2,-0.2 3,-0.1 -0.987 22.0-172.4-146.0 132.0 91.8 73.8 45.3 87 90 A T S S- 0 0 50 -2,-0.3 162,-1.3 -9,-0.2 2,-0.3 0.169 72.0 -1.3-105.7 13.2 90.2 70.4 46.3 88 91 A H E -G 248 0D 50 160,-0.2 2,-0.3 -9,-0.1 158,-0.0 -0.996 51.6-142.8-175.7-178.2 86.6 71.4 45.6 89 92 A Y E -G 247 0D 27 158,-1.9 158,-1.9 -2,-0.3 2,-0.4 -0.917 25.8-110.7-152.7 174.2 83.8 73.8 44.6 90 93 A Y E -G 246 0D 18 -2,-0.3 118,-2.0 156,-0.2 2,-0.6 -0.944 20.1-135.4-115.4 131.5 80.3 74.7 45.5 91 94 A A E -GH 245 207D 2 154,-2.7 153,-2.7 -2,-0.4 154,-1.0 -0.808 34.7-173.2 -88.6 122.0 77.3 74.0 43.2 92 95 A V E - H 0 206D 3 114,-3.4 114,-2.3 -2,-0.6 2,-0.6 -0.857 28.8-139.9-121.5 152.3 75.1 77.2 43.3 93 96 A A E - H 0 205D 1 134,-0.4 134,-1.9 -2,-0.3 112,-0.3 -0.927 31.3-162.6-107.2 97.7 71.7 78.2 41.9 94 97 A V E +IH 226 204D 0 110,-3.5 110,-3.2 -2,-0.6 2,-0.3 -0.523 15.8 164.0 -90.5 155.3 72.1 81.8 40.7 95 98 A V E -I 225 0D 0 130,-1.6 130,-1.9 108,-0.2 2,-0.4 -0.956 41.8 -92.5-152.6 167.0 69.3 84.3 40.0 96 99 A K E > -I 224 0D 78 106,-0.5 3,-0.8 -2,-0.3 128,-0.3 -0.768 48.7-111.0 -88.0 130.5 68.9 88.0 39.4 97 100 A K T 3 S+ 0 0 130 126,-1.7 3,-0.1 -2,-0.4 -1,-0.1 -0.208 93.7 58.7 -59.3 148.6 68.1 90.0 42.6 98 101 A G T 3 S+ 0 0 74 1,-0.4 -1,-0.2 126,-0.0 126,-0.0 0.118 78.5 107.5 118.7 -18.5 64.6 91.5 42.9 99 102 A G < - 0 0 33 -3,-0.8 -1,-0.4 1,-0.1 -4,-0.0 -0.217 54.6-151.6 -84.9 176.2 62.5 88.3 42.6 100 103 A S + 0 0 104 -3,-0.1 -1,-0.1 2,-0.1 -3,-0.0 0.552 58.2 106.9-125.3 -17.1 60.6 86.5 45.4 101 104 A F - 0 0 43 1,-0.1 2,-0.2 2,-0.1 -2,-0.1 -0.335 51.8-157.9 -64.8 149.6 60.5 82.9 44.3 102 105 A Q > - 0 0 25 125,-0.1 3,-2.2 129,-0.1 125,-0.1 -0.563 38.1 -82.8-117.5 179.7 62.7 80.5 46.2 103 106 A L G > S+ 0 0 8 125,-0.4 3,-0.8 1,-0.3 -2,-0.1 0.799 126.9 56.7 -57.3 -29.6 64.3 77.1 45.5 104 107 A N G 3 S+ 0 0 68 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.337 107.3 49.9 -86.4 8.5 61.0 75.3 46.5 105 108 A E G < + 0 0 93 -3,-2.2 -1,-0.2 1,-0.1 -2,-0.2 -0.056 67.3 116.8-137.3 36.4 59.0 77.3 43.9 106 109 A L X + 0 0 0 -3,-0.8 3,-1.4 2,-0.1 2,-0.2 0.370 40.4 126.9 -86.5 1.8 61.0 76.9 40.7 107 110 A Q T 3 S+ 0 0 134 1,-0.3 43,-0.2 43,-0.1 3,-0.1 -0.427 78.4 8.8 -65.8 129.6 58.2 75.1 39.0 108 111 A G T 3 S+ 0 0 35 41,-2.5 -1,-0.3 1,-0.3 42,-0.2 0.220 103.9 114.0 87.9 -15.8 57.2 76.7 35.6 109 112 A L S < S- 0 0 40 -3,-1.4 42,-1.3 40,-0.1 43,-0.8 -0.196 72.2 -99.2 -79.2-178.5 60.2 79.0 35.6 110 113 A K E -j 152 0D 73 40,-0.2 92,-1.8 41,-0.2 93,-1.5 -0.873 36.6-162.7-106.6 136.3 63.1 78.9 33.2 111 114 A S E -jk 153 203D 0 41,-1.4 43,-1.0 -2,-0.4 2,-0.5 -0.796 12.5-149.5-119.0 157.5 66.4 77.3 34.0 112 115 A c E -jk 154 204D 0 91,-1.9 93,-2.3 -2,-0.3 2,-0.4 -0.949 17.7-169.9-129.5 112.7 70.0 77.4 32.6 113 116 A H E - k 0 205D 1 41,-2.3 3,-0.1 -2,-0.5 93,-0.1 -0.836 26.5-140.3-108.3 141.2 72.2 74.3 32.9 114 117 A T S S- 0 0 3 91,-0.9 74,-1.5 -2,-0.4 2,-0.3 0.945 80.2 -33.9 -58.5 -50.1 75.9 73.9 32.2 115 118 A G > - 0 0 1 72,-0.2 3,-1.0 3,-0.1 2,-0.3 -0.995 69.1 -78.2-166.6 163.9 75.3 70.5 30.6 116 119 A L T 3 S- 0 0 16 40,-2.4 3,-0.1 -2,-0.3 6,-0.1 -0.582 113.3 -4.7 -74.5 131.8 73.3 67.3 30.6 117 120 A R T 3 S+ 0 0 145 -2,-0.3 -1,-0.3 1,-0.3 2,-0.1 0.460 95.5 138.5 62.8 8.4 74.4 64.9 33.4 118 121 A D <>> - 0 0 42 -3,-1.0 5,-2.1 1,-0.1 4,-0.7 -0.554 59.8-121.3 -74.0 152.5 77.2 67.2 34.4 119 122 A T T >4>S+ 0 0 25 3,-0.2 5,-3.3 2,-0.2 3,-0.7 0.967 100.9 32.0 -60.6 -64.9 77.5 67.4 38.2 120 123 A A T 345S+ 0 0 1 1,-0.2 -1,-0.2 3,-0.2 86,-0.0 0.918 125.7 42.2 -65.1 -45.4 77.0 71.1 39.0 121 124 A G T 345S- 0 0 0 3,-0.1 -1,-0.2 -8,-0.1 -2,-0.2 0.480 137.6 -1.1 -84.2 1.1 74.6 71.9 36.2 122 125 A W T S+ 0 0 5 -4,-0.7 4,-3.2 -3,-0.7 5,-0.7 0.356 121.1 52.6-147.0 -71.1 72.6 68.8 36.5 123 126 A N H >5S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.961 120.6 42.0 -60.9 -52.9 70.3 70.6 40.9 126 129 A I H <5S+ 0 0 0 -4,-3.2 4,-0.5 1,-0.2 -3,-0.2 0.879 115.6 50.8 -67.9 -31.4 68.0 68.0 39.4 127 130 A G H << S+ 0 0 1 -4,-2.3 3,-2.7 1,-0.2 4,-0.5 0.516 80.8 112.5 -69.3 -9.3 64.7 69.5 43.3 130 133 A R G > + 0 0 69 -4,-0.5 3,-2.1 -3,-0.3 -1,-0.2 0.762 64.8 61.5 -37.9 -49.9 63.7 65.8 43.2 131 134 A P G 3 S+ 0 0 96 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.815 106.4 47.3 -51.2 -32.4 60.9 66.2 45.9 132 135 A F G < S+ 0 0 80 -3,-2.7 2,-0.5 2,-0.1 -2,-0.2 0.496 91.2 104.8 -88.4 -4.4 59.1 68.6 43.5 133 136 A L < - 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0 0 5 -225,-0.5 -225,-1.7 -27,-0.1 -1,-0.4 -0.973 61.2-104.1 172.2-177.6 4.8 32.9 4.0 634 307 B F E -Q 407 0F 17 -2,-0.3 2,-0.4 -227,-0.2 -227,-0.2 -0.901 16.0-151.9-130.1 163.9 4.6 30.2 6.7 635 308 B S E -Q 406 0F 52 -229,-1.5 -229,-2.6 -2,-0.3 -2,-0.0 -0.974 27.5-112.3-139.7 122.9 3.3 30.0 10.2 636 309 B R E -Q 405 0F 87 -2,-0.4 -231,-0.3 -231,-0.2 -232,-0.0 -0.204 26.0-133.6 -54.5 138.5 4.6 27.7 13.0 637 310 B V - 0 0 6 -233,-3.1 4,-0.1 1,-0.1 3,-0.1 -0.871 30.6-110.3 -95.3 119.6 2.1 25.0 14.1 638 311 B P > - 0 0 77 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.008 40.9 -94.4 -49.0 152.3 2.0 24.8 17.9 639 312 B P T 3 S+ 0 0 97 0, 0.0 3,-0.1 0, 0.0 -235,-0.0 -0.182 106.3 27.8 -68.6 163.5 3.4 21.7 19.5 640 313 B R T 3 S+ 0 0 163 1,-0.2 2,-0.8 -54,-0.1 -54,-0.0 0.706 85.5 137.6 58.2 21.0 1.3 18.7 20.4 641 314 B I < - 0 0 42 -3,-0.8 -1,-0.2 -238,-0.2 -4,-0.0 -0.839 37.9-162.3 -99.4 97.8 -1.0 19.7 17.6 642 315 B D > - 0 0 80 -2,-0.8 4,-2.6 -240,-0.1 5,-0.2 -0.056 33.5 -99.6 -78.7-179.6 -2.0 16.6 15.7 643 316 B S H > S+ 0 0 10 -242,-0.4 4,-3.1 2,-0.2 5,-0.3 0.928 124.9 49.2 -62.9 -45.6 -3.5 16.1 12.3 644 317 B G H > S+ 0 0 16 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.922 114.6 45.3 -61.1 -42.8 -7.0 15.7 13.7 645 318 B L H 4 S+ 0 0 113 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.865 115.8 47.0 -70.3 -31.6 -6.5 18.8 15.8 646 319 B Y H < S+ 0 0 30 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.923 114.5 45.2 -74.8 -44.4 -5.1 20.7 12.8 647 320 B L H < S- 0 0 1 -4,-3.1 4,-0.2 -5,-0.2 -2,-0.2 0.892 105.6-128.5 -65.3 -46.5 -7.8 19.6 10.3 648 321 B G X - 0 0 23 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 -0.358 20.6 -87.0 110.3 166.5 -10.8 20.2 12.5 649 322 B S H > S+ 0 0 95 2,-0.2 4,-3.5 3,-0.2 5,-0.4 0.923 121.8 50.3 -76.1 -50.3 -13.8 17.9 13.4 650 323 B G H > S+ 0 0 26 2,-0.2 4,-2.5 1,-0.2 -75,-0.1 0.922 120.2 38.3 -53.6 -49.6 -16.1 18.7 10.5 651 324 B Y H > S+ 0 0 7 -4,-0.2 4,-2.9 2,-0.2 5,-0.2 0.953 116.1 50.4 -64.4 -58.0 -13.3 18.1 8.1 652 325 B F H X S+ 0 0 43 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.902 117.6 41.1 -50.9 -45.9 -11.8 15.2 9.9 653 326 B T H X S+ 0 0 65 -4,-3.5 4,-3.2 2,-0.2 -1,-0.2 0.934 111.5 55.8 -67.5 -45.7 -15.2 13.5 10.2 654 327 B A H X S+ 0 0 3 -4,-2.5 4,-0.7 -5,-0.4 -2,-0.2 0.857 113.2 43.4 -55.0 -33.6 -16.0 14.5 6.6 655 328 B I H >X S+ 0 0 27 -4,-2.9 3,-1.1 2,-0.2 4,-0.8 0.964 113.0 49.1 -77.7 -51.9 -12.8 12.7 5.7 656 329 B Q H >< S+ 0 0 79 -4,-3.1 3,-0.9 1,-0.2 -2,-0.2 0.852 104.9 62.1 -49.9 -40.6 -13.3 9.6 7.9 657 330 B N H 3< S+ 0 0 49 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.808 105.2 43.7 -59.4 -36.9 -16.9 9.3 6.5 658 331 B L H << 0 0 41 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.569 360.0 360.0 -91.6 -7.5 -15.8 8.7 2.9 659 332 B R << 0 0 174 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.1 0.516 360.0 360.0 -68.4 360.0 -13.0 6.3 3.5