==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 07-JAN-13 4IO5 . COMPND 2 MOLECULE: AVGLUR1 LIGAND BINDING DOMAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ADINETA VAGA; . AUTHOR S.LOMASH,S.CHITTORI,M.L.MAYER . 486 6 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21275.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 13.2 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 29 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 2 1 1 0 0 6 4 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 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 PARALLEL BRIDGES PER LADDER . 6 1 0 2 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 1 1 0 1 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 79 0, 0.0 2,-0.3 0, 0.0 452,-0.0 0.000 360.0 360.0 360.0 90.4 -20.2 32.4 1.9 2 2 A S + 0 0 64 210,-0.1 2,-0.3 211,-0.1 210,-0.2 -0.991 360.0 177.0-154.1 155.2 -17.6 30.9 -0.5 3 3 A A - 0 0 38 208,-1.6 212,-0.4 -2,-0.3 2,-0.3 -0.978 29.9-106.5-154.7 161.4 -17.3 29.3 -3.9 4 4 A R - 0 0 163 -2,-0.3 208,-0.0 2,-0.1 43,-0.0 -0.662 22.4-134.6 -88.9 149.3 -14.9 27.9 -6.5 5 5 A L > + 0 0 0 -2,-0.3 3,-2.4 207,-0.1 45,-0.2 0.448 57.4 133.9 -83.0 -2.2 -14.1 29.8 -9.6 6 6 A K T 3 S+ 0 0 170 1,-0.3 43,-0.3 43,-0.1 42,-0.2 -0.301 82.7 1.1 -59.0 126.4 -14.4 26.8 -12.0 7 7 A G T 3 S+ 0 0 56 41,-2.8 2,-0.3 1,-0.3 -1,-0.3 0.374 102.5 125.3 78.1 -2.8 -16.4 27.8 -15.0 8 8 A I < - 0 0 58 -3,-2.4 42,-2.7 1,-0.0 2,-0.5 -0.701 60.3-126.2 -90.5 141.0 -16.9 31.4 -13.9 9 9 A T E -a 50 0A 78 -2,-0.3 2,-0.5 40,-0.2 42,-0.2 -0.758 23.8-164.4 -86.5 127.0 -15.9 34.3 -16.1 10 10 A L E -a 51 0A 4 40,-2.7 42,-2.8 -2,-0.5 2,-0.7 -0.970 15.9-144.6-112.6 124.6 -13.5 36.8 -14.5 11 11 A R E -a 52 0A 86 -2,-0.5 64,-2.3 40,-0.2 65,-1.8 -0.813 26.1-161.4 -80.5 113.1 -12.8 40.2 -16.0 12 12 A I E -ab 53 76A 0 40,-2.4 42,-3.2 -2,-0.7 2,-0.3 -0.894 5.7-150.7-109.5 110.9 -9.1 40.6 -15.2 13 13 A G E -ab 54 77A 0 63,-2.8 65,-2.3 -2,-0.7 2,-0.3 -0.619 18.4-179.9 -79.6 133.6 -7.7 44.1 -15.3 14 14 A V E -a 55 0A 0 40,-2.0 42,-3.0 -2,-0.3 2,-0.4 -0.899 13.0-149.4-130.9 159.5 -4.0 44.4 -16.2 15 15 A I - 0 0 10 63,-0.4 65,-0.2 -2,-0.3 6,-0.1 -0.998 29.0 -99.5-138.2 133.5 -1.8 47.5 -16.5 16 16 A E + 0 0 108 -2,-0.4 6,-0.2 40,-0.3 2,-0.2 -0.322 59.7 136.4 -60.4 126.6 1.2 48.1 -18.8 17 17 A S B >> -E 21 0B 4 4,-2.5 4,-2.2 -2,-0.1 3,-1.8 -0.610 54.6 -98.6-171.8 98.3 4.5 47.6 -17.0 18 18 A V T 34 S+ 0 0 42 1,-0.3 164,-0.2 2,-0.2 163,-0.1 -0.493 100.8 7.5 -70.9 138.1 7.4 45.7 -18.7 19 19 A P T 34 S+ 0 0 1 0, 0.0 16,-2.1 0, 0.0 -1,-0.3 -0.876 127.6 56.9-104.8 24.6 8.0 42.8 -18.1 20 20 A F T <4 S+ 0 0 9 -3,-1.8 16,-2.4 1,-0.3 17,-0.7 0.953 128.3 7.9 -70.2 -55.4 4.9 42.1 -16.0 21 21 A T B < S-E 17 0B 0 -4,-2.2 -4,-2.5 15,-0.1 2,-0.5 -0.959 76.7-169.5-134.7 110.8 2.5 43.2 -18.8 22 22 A I E -F 33 0C 41 11,-3.4 11,-1.9 -2,-0.4 2,-0.5 -0.915 6.0-157.2-110.5 124.5 4.0 43.9 -22.2 23 23 A V E +F 32 0C 39 -2,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.888 13.1 178.2-109.6 125.0 1.8 45.6 -24.8 24 24 A A E -F 31 0C 50 7,-2.6 7,-2.8 -2,-0.5 2,-0.3 -0.959 21.9-133.9-126.4 144.2 2.6 45.3 -28.5 25 25 A N E F 30 0C 107 -2,-0.4 5,-0.2 5,-0.2 -2,-0.0 -0.756 360.0 360.0 -95.1 147.8 0.7 46.6 -31.5 26 26 A V 0 0 114 3,-2.5 -2,-0.1 -2,-0.3 4,-0.0 -0.205 360.0 360.0 40.3 360.0 0.1 44.4 -34.6 27 ! 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 28 33 A N 0 0 154 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 124.7 -4.3 46.6 -36.1 29 34 A T - 0 0 85 2,-0.0 -3,-2.5 0, 0.0 2,-0.4 -0.939 360.0-118.8-142.9 167.4 -4.5 44.6 -32.8 30 35 A T E -F 25 0C 83 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.884 19.3-163.9-113.4 132.5 -2.9 44.5 -29.4 31 36 A K E -F 24 0C 128 -7,-2.8 -7,-2.6 -2,-0.4 2,-0.4 -0.954 5.7-156.6-114.8 139.9 -1.0 41.5 -28.0 32 37 A L E +F 23 0C 44 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.945 20.2 158.0-113.5 138.5 -0.2 41.1 -24.4 33 38 A T E +F 22 0C 71 -11,-1.9 -11,-3.4 -2,-0.4 2,-0.2 -0.877 19.9 85.9-141.7 171.8 2.7 39.0 -22.9 34 39 A G S > S- 0 0 0 -2,-0.3 4,-2.2 -13,-0.2 -14,-0.2 -0.644 85.3 -46.9 129.6 179.8 4.7 38.9 -19.7 35 40 A Y H > S+ 0 0 2 -16,-2.1 4,-2.5 1,-0.2 -15,-0.2 0.882 130.1 51.9 -48.2 -45.8 4.8 37.5 -16.2 36 41 A V H > S+ 0 0 0 -16,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.907 109.2 48.2 -64.0 -43.2 1.2 38.5 -15.5 37 42 A L H > S+ 0 0 33 -17,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.890 112.9 48.4 -67.9 -39.3 -0.2 36.8 -18.6 38 43 A D H X S+ 0 0 39 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.889 110.7 52.1 -64.6 -40.4 1.8 33.6 -17.8 39 44 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.911 106.1 53.5 -62.7 -43.0 0.5 33.8 -14.2 40 45 A I H X S+ 0 0 8 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.919 109.6 49.1 -55.6 -45.1 -3.1 34.1 -15.5 41 46 A E H X S+ 0 0 81 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.912 110.6 49.3 -65.1 -41.5 -2.7 31.0 -17.6 42 47 A Y H X S+ 0 0 87 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.911 115.6 44.2 -61.8 -43.4 -1.2 29.0 -14.6 43 48 A L H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 5,-0.4 0.919 112.1 52.2 -67.1 -41.1 -4.1 30.1 -12.4 44 49 A R H X S+ 0 0 87 -4,-3.1 4,-2.9 1,-0.2 -2,-0.2 0.923 108.4 51.9 -62.4 -45.3 -6.7 29.4 -15.2 45 50 A D H < S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.885 117.0 38.0 -59.2 -42.6 -5.3 25.9 -15.6 46 51 A K H < S+ 0 0 84 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.849 126.9 33.6 -76.6 -34.7 -5.5 25.0 -12.0 47 52 A M H < S- 0 0 10 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.670 91.8-136.0-101.3 -24.5 -8.8 26.8 -11.1 48 53 A G < + 0 0 30 -4,-2.9 -41,-2.8 -5,-0.4 -4,-0.1 0.627 49.4 144.3 79.1 15.1 -10.8 26.5 -14.3 49 54 A F - 0 0 6 -43,-0.3 2,-0.6 -6,-0.2 -40,-0.2 -0.312 54.1-112.4 -75.7 166.4 -12.2 30.0 -14.7 50 55 A V E -a 9 0A 73 -42,-2.7 -40,-2.7 -45,-0.2 2,-0.6 -0.926 31.3-138.9-100.6 124.3 -12.6 31.7 -18.0 51 56 A A E -a 10 0A 35 -2,-0.6 2,-0.6 -42,-0.2 -40,-0.2 -0.742 22.3-178.9 -92.3 122.4 -10.2 34.6 -18.4 52 57 A D E -a 11 0A 62 -42,-2.8 -40,-2.4 -2,-0.6 2,-0.4 -0.861 21.0-161.2-112.3 90.4 -11.5 37.9 -19.9 53 58 A V E -a 12 0A 43 -2,-0.6 2,-0.5 -42,-0.2 -40,-0.2 -0.614 8.3-172.1 -85.4 125.3 -8.2 39.9 -19.8 54 59 A Q E -a 13 0A 88 -42,-3.2 -40,-2.0 -2,-0.4 2,-0.4 -0.951 16.3-142.4-124.0 114.0 -8.7 43.7 -20.1 55 60 A L E -a 14 0A 53 -2,-0.5 -40,-0.2 -42,-0.2 -42,-0.1 -0.594 27.7-119.1 -71.4 127.5 -5.8 46.1 -20.5 56 61 A A - 0 0 6 -42,-3.0 -40,-0.3 -2,-0.4 -1,-0.1 -0.383 42.3 -86.9 -62.3 143.3 -6.4 49.4 -18.6 57 62 A P > - 0 0 79 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.108 48.2 -98.7 -51.1 151.9 -6.5 52.5 -20.8 58 63 A P T 3 S+ 0 0 122 0, 0.0 -2,-0.1 0, 0.0 -42,-0.0 0.776 118.4 44.7 -49.8 -41.0 -3.1 54.1 -21.5 59 64 A N T 3 S+ 0 0 122 97,-0.1 -3,-0.0 2,-0.0 0, 0.0 0.559 81.3 132.9 -88.9 2.3 -3.2 56.9 -18.9 60 65 A T < - 0 0 40 -3,-2.1 2,-0.2 1,-0.1 -4,-0.0 -0.167 44.5-147.3 -57.1 129.9 -4.5 54.7 -16.0 61 66 A S > - 0 0 35 1,-0.1 4,-2.3 95,-0.0 5,-0.1 -0.494 25.9-109.9 -89.0 168.8 -2.7 55.1 -12.7 62 67 A Y H > S+ 0 0 9 71,-0.4 4,-2.1 70,-0.3 72,-0.2 0.917 124.1 45.8 -64.6 -43.9 -2.2 52.3 -10.2 63 68 A T H > S+ 0 0 45 70,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.903 110.4 56.5 -62.3 -37.5 -4.6 54.0 -7.8 64 69 A G H > S+ 0 0 23 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.875 105.5 50.1 -59.2 -42.0 -6.9 54.5 -10.8 65 70 A L H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.920 110.4 49.4 -63.2 -45.3 -6.9 50.7 -11.5 66 71 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.942 112.2 47.6 -58.7 -47.7 -7.8 50.0 -7.9 67 72 A L H X S+ 0 0 95 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.890 108.6 55.5 -60.7 -41.6 -10.6 52.5 -7.9 68 73 A A H <>S+ 0 0 20 -4,-2.3 5,-2.6 1,-0.2 6,-0.4 0.906 109.0 47.0 -59.1 -41.5 -11.9 51.1 -11.3 69 74 A L H ><5S+ 0 0 6 -4,-2.1 3,-1.9 1,-0.2 5,-0.3 0.933 109.5 52.8 -64.9 -43.4 -12.1 47.6 -9.7 70 75 A A H 3<5S+ 0 0 53 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.824 106.4 55.4 -61.0 -31.5 -13.9 49.0 -6.6 71 76 A N T 3<5S- 0 0 126 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.526 124.6-105.0 -76.8 -10.4 -16.4 50.6 -9.1 72 77 A G T < 5S+ 0 0 36 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.565 83.7 127.4 96.6 14.1 -17.1 47.2 -10.6 73 78 A D S - 0 0 15 -2,-0.6 4,-2.4 1,-0.1 5,-0.2 -0.914 44.1-120.6-129.3 157.5 -1.2 49.6 0.8 85 90 A S H > S+ 0 0 15 -2,-0.3 4,-1.1 1,-0.2 -1,-0.1 0.911 114.1 52.0 -61.0 -44.0 -3.3 50.6 3.8 86 91 A A H 4 S+ 0 0 61 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.901 112.4 44.9 -61.1 -39.8 -5.2 53.2 1.9 87 92 A R H >> S+ 0 0 11 1,-0.2 3,-1.8 2,-0.2 4,-1.8 0.892 105.4 61.4 -72.8 -34.6 -6.1 50.8 -0.9 88 93 A R H 3< S+ 0 0 16 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.754 92.1 68.3 -65.9 -20.8 -7.1 48.1 1.6 89 94 A E T 3< S+ 0 0 64 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.820 115.1 25.2 -61.4 -29.6 -9.8 50.4 2.8 90 95 A I T <4 S+ 0 0 68 -3,-1.8 118,-0.4 -4,-0.4 2,-0.3 0.574 129.2 22.0-117.4 -15.5 -11.6 50.0 -0.5 91 96 A V S < S- 0 0 1 -4,-1.8 2,-0.3 116,-0.1 -1,-0.1 -0.928 70.1-121.2-141.8 165.5 -10.5 46.7 -2.0 92 97 A A E -D 206 0A 14 114,-2.5 114,-2.6 -2,-0.3 2,-0.4 -0.707 21.6-141.8-101.9 166.8 -9.1 43.4 -0.7 93 98 A F E -D 205 0A 21 -2,-0.3 112,-0.2 112,-0.2 3,-0.1 -0.980 11.4-125.3-128.0 143.5 -5.9 41.8 -1.8 94 99 A S - 0 0 6 110,-2.7 3,-0.1 -2,-0.4 120,-0.1 -0.174 54.1 -69.1 -67.8 168.8 -4.9 38.2 -2.3 95 100 A N S S- 0 0 17 1,-0.1 109,-0.5 108,-0.1 -1,-0.2 -0.355 77.7 -79.5 -55.4 146.2 -2.0 36.6 -0.6 96 101 A S - 0 0 14 1,-0.1 107,-0.3 107,-0.1 -1,-0.1 -0.174 33.6-165.1 -61.3 140.9 1.1 38.2 -2.0 97 102 A I S S+ 0 0 8 105,-2.4 2,-0.3 1,-0.3 106,-0.2 0.556 76.3 2.2 -92.4 -14.6 2.5 37.1 -5.3 98 103 A S E -H 202 0D 15 104,-1.0 104,-2.5 2,-0.0 -1,-0.3 -0.961 68.2-116.2-166.2 147.9 5.9 38.9 -4.7 99 104 A D E -H 201 0D 67 -2,-0.3 2,-0.3 102,-0.2 102,-0.2 -0.358 40.5-172.9 -74.1 170.2 7.8 40.8 -2.2 100 105 A N E +H 200 0D 7 100,-1.9 100,-2.9 -2,-0.1 2,-0.3 -0.987 20.2 169.3-160.4 159.0 8.7 44.4 -3.2 101 106 A S E - 0 0 6 -2,-0.3 75,-2.9 98,-0.2 2,-0.3 -0.932 29.3-113.2-160.4 173.1 10.6 47.5 -2.3 102 107 A M E -HI 197 175D 4 95,-3.3 95,-2.2 -2,-0.3 2,-0.3 -0.791 20.6-166.2-115.7 154.3 11.6 50.7 -4.0 103 108 A R E - I 0 174D 56 71,-2.9 71,-2.5 -2,-0.3 2,-0.5 -0.890 30.4-102.2-129.0 163.2 14.8 52.2 -5.2 104 109 A I E -HI 193 173D 2 89,-1.1 89,-1.9 -2,-0.3 2,-0.4 -0.793 34.3-154.4 -84.2 127.7 15.9 55.7 -6.3 105 110 A L E +HI 192 172D 1 67,-2.6 67,-1.7 -2,-0.5 2,-0.3 -0.861 27.5 146.0-102.6 135.7 16.3 55.9 -10.1 106 111 A M E -HI 191 171D 12 85,-2.4 85,-3.0 -2,-0.4 2,-0.2 -0.964 50.3 -76.1-155.6 172.4 18.7 58.5 -11.6 107 112 A R E > -H 190 0D 63 63,-0.5 3,-1.7 -2,-0.3 83,-0.2 -0.511 60.3 -96.2 -67.3 144.5 21.1 59.3 -14.5 108 113 A K T 3 S+ 0 0 122 81,-2.5 -1,-0.1 1,-0.2 3,-0.1 -0.317 111.6 30.7 -56.5 143.0 24.4 57.5 -14.3 109 114 A G T 3 S+ 0 0 72 1,-0.3 -1,-0.2 -3,-0.1 81,-0.0 0.115 81.0 141.3 94.9 -21.0 27.0 59.9 -12.7 110 115 A T < - 0 0 27 -3,-1.7 2,-1.8 1,-0.1 -1,-0.3 -0.308 56.2-126.9 -58.8 132.5 24.5 61.8 -10.5 111 116 A L + 0 0 142 -3,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.508 62.5 128.3 -87.9 73.0 26.0 62.5 -7.1 112 117 A I - 0 0 11 -2,-1.8 82,-0.1 1,-0.1 3,-0.1 -0.998 35.4-173.5-124.7 128.2 23.3 61.1 -4.9 113 118 A D - 0 0 127 -2,-0.4 2,-0.3 1,-0.3 81,-0.2 0.733 58.8 -64.2 -91.9 -28.4 24.3 58.6 -2.1 114 119 A G S >> S- 0 0 11 80,-0.2 3,-1.1 79,-0.1 4,-0.6 -0.982 76.9 -36.5 166.0-164.0 20.8 57.6 -1.0 115 120 A M H >> S+ 0 0 27 -2,-0.3 4,-1.9 1,-0.3 3,-1.0 0.799 117.6 69.9 -64.5 -29.7 17.6 58.8 0.6 116 121 A D H 3> S+ 0 0 105 1,-0.3 4,-3.3 2,-0.2 5,-0.3 0.866 92.0 59.2 -55.1 -37.1 19.3 61.2 3.1 117 122 A D H <>>S+ 0 0 22 -3,-1.1 5,-1.6 1,-0.2 6,-1.1 0.794 108.6 44.3 -67.5 -26.8 20.2 63.5 0.2 118 123 A L H <<5S+ 0 0 1 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.797 118.1 44.7 -79.4 -32.7 16.5 63.9 -0.6 119 124 A K H <5S+ 0 0 87 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.781 113.7 49.1 -81.6 -28.6 15.7 64.3 3.0 120 125 A N H <5S- 0 0 127 -4,-3.3 -3,-0.2 -5,-0.2 -1,-0.2 0.727 115.7-112.1 -82.7 -23.6 18.6 66.7 3.8 121 126 A G T <5S+ 0 0 48 -4,-0.7 -3,-0.2 -5,-0.3 -4,-0.1 0.655 71.4 139.6 99.4 18.5 17.7 68.9 0.8 122 127 A K S - 0 0 77 0, 0.0 3,-1.4 0, 0.0 4,-0.1 -0.307 33.3-112.0 -54.6 154.9 15.2 70.7 -4.2 125 130 A Y G > S+ 0 0 111 1,-0.3 3,-1.3 2,-0.2 27,-0.5 0.857 119.0 56.9 -57.5 -38.3 11.8 69.0 -3.6 126 131 A N G 3 S+ 0 0 89 1,-0.3 -1,-0.3 25,-0.2 25,-0.1 0.391 89.6 70.6 -78.6 1.5 11.0 69.8 -7.3 127 132 A R G < S+ 0 0 71 -3,-1.4 43,-2.5 42,-0.1 44,-1.5 0.405 85.9 86.7 -90.3 4.5 14.1 68.0 -8.6 128 133 A I E < -j 171 0D 0 -3,-1.3 24,-3.3 41,-0.2 2,-0.4 -0.915 69.6-154.5-107.4 114.0 12.2 64.9 -7.5 129 134 A G E -jk 172 152D 0 42,-2.7 44,-0.5 -2,-0.6 2,-0.4 -0.736 13.9-174.9 -89.1 133.4 9.8 63.4 -10.1 130 135 A I E - k 0 153D 2 22,-2.6 24,-2.3 -2,-0.4 2,-0.5 -0.991 24.9-128.7-133.2 126.3 7.0 61.3 -8.7 131 136 A R E > - k 0 154D 20 -2,-0.4 3,-0.8 42,-0.2 6,-0.4 -0.635 33.7-124.2 -75.1 121.7 4.4 59.3 -10.6 132 137 A I T 3 S+ 0 0 86 22,-2.0 -70,-0.3 -2,-0.5 -69,-0.1 -0.294 89.6 26.4 -67.3 146.9 1.0 60.3 -9.3 133 138 A G T 3 S+ 0 0 8 1,-0.3 -70,-1.9 -72,-0.1 -71,-0.4 0.773 97.8 112.3 72.8 25.6 -1.3 57.5 -8.0 134 139 A T S X> S- 0 0 8 -3,-0.8 4,-1.3 -72,-0.2 3,-0.9 -0.868 82.3-110.7-120.5 165.0 1.6 55.2 -7.1 135 140 A A H 3> S+ 0 0 3 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.813 116.8 66.0 -61.1 -30.2 2.9 53.9 -3.7 136 141 A G H 3> S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.850 97.4 53.6 -59.2 -37.4 5.9 56.1 -4.4 137 142 A E H <> S+ 0 0 27 -3,-0.9 4,-2.2 -6,-0.4 -1,-0.2 0.912 108.0 49.3 -63.9 -44.0 3.7 59.2 -4.1 138 143 A D H X S+ 0 0 74 -4,-1.3 4,-1.7 1,-0.2 -2,-0.2 0.905 111.1 50.2 -63.0 -36.5 2.4 58.0 -0.7 139 144 A Y H X S+ 0 0 18 -4,-2.3 4,-2.8 1,-0.2 5,-0.4 0.923 109.5 50.8 -66.2 -43.8 6.0 57.4 0.5 140 145 A Y H X>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 4,-2.1 0.911 110.2 49.0 -58.1 -46.5 7.1 60.9 -0.7 141 146 A L H <5S+ 0 0 24 -4,-2.2 6,-2.4 3,-0.2 -1,-0.2 0.832 118.0 40.1 -66.0 -33.3 4.3 62.6 1.1 142 147 A R H <5S+ 0 0 84 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.893 129.4 23.8 -81.7 -38.6 4.9 60.7 4.4 143 148 A E H <5S+ 0 0 65 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.668 129.7 27.0-106.9 -23.4 8.7 60.7 4.5 144 149 A I T <5S+ 0 0 16 -4,-2.1 -3,-0.2 -5,-0.4 -4,-0.1 0.825 125.1 25.7-108.6 -54.5 10.0 63.6 2.4 145 150 A S S > S- 0 0 38 1,-0.1 4,-1.6 -95,-0.0 -1,-0.1 -0.979 74.1-100.2-161.9 165.3 3.7 57.6 -16.7 157 162 A R H > S+ 0 0 36 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.887 121.2 58.9 -60.9 -37.3 6.9 55.6 -16.5 158 163 A Q H > S+ 0 0 98 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.916 104.8 48.6 -59.5 -42.2 7.7 57.0 -20.0 159 164 A E H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.850 110.6 53.5 -66.1 -34.4 7.5 60.6 -18.6 160 165 A M H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.969 111.8 42.4 -62.4 -53.0 9.8 59.5 -15.8 161 166 A Y H X S+ 0 0 15 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.932 115.9 49.5 -60.5 -50.1 12.5 58.1 -18.1 162 167 A D H X S+ 0 0 82 -4,-2.7 4,-1.3 -5,-0.2 -1,-0.2 0.872 110.8 49.5 -55.9 -40.7 12.2 61.1 -20.5 163 168 A S H <>S+ 0 0 7 -4,-2.0 5,-1.9 2,-0.2 6,-1.3 0.853 111.3 47.9 -74.8 -33.7 12.5 63.7 -17.7 164 169 A L H ><5S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.949 111.8 50.1 -67.4 -45.6 15.5 62.1 -16.1 165 170 A L H 3<5S+ 0 0 83 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.764 110.6 51.7 -67.0 -20.9 17.2 61.8 -19.5 166 171 A A T 3<5S- 0 0 71 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.450 112.4-115.2 -96.2 0.6 16.4 65.5 -20.2 167 172 A G T < 5S+ 0 0 31 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.593 83.3 119.3 77.5 13.1 17.9 66.9 -16.9 168 173 A I S -I 102 0D 4 -2,-0.3 4,-2.5 -73,-0.2 -73,-0.3 -0.312 39.8-123.6 -54.2 142.7 9.8 49.4 -7.6 176 181 A I H > S+ 0 0 37 -75,-2.9 4,-2.7 2,-0.2 5,-0.2 0.819 102.0 54.3 -66.9 -37.9 13.0 47.3 -7.6 177 182 A G H > S+ 0 0 23 -76,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.973 118.6 33.6 -64.9 -54.0 11.9 44.4 -9.9 178 183 A T H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.858 116.2 57.5 -69.4 -33.2 11.0 46.7 -12.8 179 184 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.931 109.7 45.4 -63.2 -42.2 13.7 49.2 -11.9 180 185 A E H X S+ 0 0 82 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.932 113.8 50.2 -62.7 -47.1 16.3 46.5 -12.3 181 186 A Y H X S+ 0 0 44 -4,-2.1 4,-1.1 -5,-0.2 5,-0.3 0.946 114.1 42.1 -57.1 -51.6 14.8 45.2 -15.5 182 187 A V H X>S+ 0 0 3 -4,-2.8 5,-2.7 1,-0.2 4,-2.3 0.912 116.6 46.5 -68.2 -41.1 14.6 48.6 -17.2 183 188 A T H <5S+ 0 0 13 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.725 117.3 46.0 -72.6 -19.8 18.0 49.8 -16.1 184 189 A N H <5S+ 0 0 49 -4,-1.6 58,-2.9 -5,-0.2 57,-0.2 0.606 130.0 16.2 -94.6 -11.2 19.5 46.5 -17.1 185 190 A N H <5S+ 0 0 24 -4,-1.1 -3,-0.2 -3,-0.4 -2,-0.2 0.590 132.1 21.6-134.6 -21.8 17.9 46.1 -20.5 186 191 A I T <5S+ 0 0 82 -4,-2.3 2,-0.7 -5,-0.3 -3,-0.2 0.738 119.7 38.0-123.0 -51.1 16.4 49.3 -21.9 187 192 A Y > < + 0 0 46 -5,-2.7 3,-1.7 1,-0.1 -1,-0.1 -0.747 58.9 172.2-111.3 79.9 17.9 52.4 -20.3 188 193 A a T 3 S+ 0 0 40 -2,-0.7 -1,-0.1 1,-0.3 -5,-0.1 0.643 76.0 57.3 -66.2 -15.4 21.6 51.6 -20.0 189 194 A N T 3 S+ 0 0 118 -3,-0.1 -81,-2.5 2,-0.0 2,-0.3 0.303 94.6 77.6-100.4 6.8 22.4 55.2 -19.0 190 195 A L E < + H 0 107D 1 -3,-1.7 2,-0.3 -83,-0.2 -83,-0.2 -0.814 62.9 179.2-106.7 158.7 20.0 55.2 -16.0 191 196 A T E - 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0 0 68 0, 0.0 3,-2.2 0, 0.0 46,-0.2 -0.403 28.4-127.7 -55.6 135.1 20.4 9.0 6.3 369 130 B Y G > S+ 0 0 87 1,-0.3 3,-1.8 2,-0.2 27,-0.5 0.861 108.5 60.2 -58.8 -34.1 16.8 10.2 6.1 370 131 B N G 3 S+ 0 0 106 1,-0.3 -1,-0.3 25,-0.2 25,-0.1 0.443 100.1 56.2 -77.1 5.3 16.2 9.1 9.7 371 132 B R G < S+ 0 0 75 -3,-2.2 43,-2.9 42,-0.1 44,-1.2 0.228 83.4 93.1-114.6 11.2 18.9 11.5 10.9 372 133 B I B < S-r 415 0E 0 -3,-1.8 24,-2.9 22,-0.2 2,-0.4 -0.931 73.2-147.3 -95.8 114.1 17.3 14.5 9.3 373 134 B G E -u 396 0H 0 42,-2.7 44,-0.4 -2,-0.7 2,-0.4 -0.696 18.8-177.8 -86.0 133.6 15.2 16.0 12.2 374 135 B I E -u 397 0H 3 22,-2.4 24,-2.2 -2,-0.4 2,-0.6 -0.991 26.9-130.9-135.5 124.0 11.9 17.6 11.3 375 136 B R E > -u 398 0H 17 -2,-0.4 3,-0.8 42,-0.2 6,-0.4 -0.626 33.9-129.3 -69.8 114.5 9.4 19.4 13.6 376 137 B I T 3 S+ 0 0 80 22,-1.7 -70,-0.3 -2,-0.6 -69,-0.1 -0.325 88.1 31.5 -67.4 148.3 6.0 17.9 12.6 377 138 B G T 3 S+ 0 0 10 1,-0.3 -70,-2.4 -72,-0.1 -71,-0.6 0.790 97.5 108.8 73.9 29.1 3.3 20.4 11.9 378 139 B T S X> S- 0 0 7 -3,-0.8 4,-1.3 -72,-0.2 3,-1.0 -0.892 82.7-110.4-127.0 164.7 5.6 23.0 10.6 379 140 B A H 3> S+ 0 0 1 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.782 116.1 66.2 -64.1 -25.5 6.2 24.4 7.1 380 141 B G H 3> S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.858 98.1 52.5 -62.0 -37.8 9.6 22.8 7.2 381 142 B E H <> S+ 0 0 18 -3,-1.0 4,-2.7 -6,-0.4 -1,-0.2 0.912 107.7 51.9 -64.1 -41.5 7.8 19.4 7.2 382 143 B D H X S+ 0 0 44 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.933 110.6 47.4 -57.9 -48.3 5.9 20.6 4.1 383 144 B Y H X S+ 0 0 20 -4,-2.4 4,-3.0 2,-0.2 5,-0.5 0.917 111.7 51.0 -59.6 -46.9 9.1 21.5 2.4 384 145 B Y H X>S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-2.0 0.937 110.8 47.2 -55.6 -52.9 10.8 18.2 3.3 385 146 B L H <5S+ 0 0 29 -4,-2.7 6,-2.1 1,-0.2 -1,-0.2 0.890 119.5 40.7 -61.2 -37.8 7.9 16.1 2.0 386 147 B R H <5S+ 0 0 78 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.898 129.7 21.5 -72.7 -41.9 7.7 18.1 -1.3 387 148 B E H <5S+ 0 0 75 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.684 128.6 29.7-109.5 -26.1 11.4 18.5 -2.0 388 149 B I T <5S+ 0 0 16 -4,-2.2 -3,-0.2 -5,-0.5 -4,-0.1 0.871 123.3 26.6-103.5 -54.9 13.4 15.9 -0.2 389 150 B S S > S- 0 0 27 1,-0.1 4,-1.8 -98,-0.0 -1,-0.2 -0.984 72.7 -98.7-163.9 167.7 9.5 21.1 19.6 401 162 B R H > S+ 0 0 29 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.900 121.2 58.9 -62.0 -38.5 12.4 23.4 19.0 402 163 B Q H > S+ 0 0 93 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.948 104.8 47.8 -58.9 -46.3 13.8 22.2 22.3 403 164 B E H > S+ 0 0 53 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.892 110.4 54.6 -61.5 -35.3 13.9 18.6 21.1 404 165 B M H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.955 111.4 42.6 -60.6 -49.5 15.6 19.8 17.9 405 166 B Y H X S+ 0 0 14 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.938 115.4 48.9 -63.9 -44.3 18.4 21.5 19.7 406 167 B D H X S+ 0 0 83 -4,-2.7 4,-1.9 -5,-0.2 6,-0.2 0.890 111.9 49.6 -66.1 -37.2 18.8 18.7 22.2 407 168 B S H <>S+ 0 0 5 -4,-2.5 5,-2.1 -5,-0.2 6,-1.2 0.880 111.8 46.9 -70.0 -40.3 18.9 16.1 19.4 408 169 B L H ><5S+ 0 0 2 -4,-2.2 3,-1.1 -5,-0.2 -2,-0.2 0.924 113.1 49.4 -64.2 -44.2 21.5 18.0 17.4 409 170 B L H 3<5S+ 0 0 63 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.860 113.2 46.9 -67.9 -31.5 23.7 18.6 20.4 410 171 B A T 3<5S- 0 0 68 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.403 112.7-117.2 -88.2 -0.1 23.5 14.9 21.4 411 172 B G T < 5S+ 0 0 19 -3,-1.1 -3,-0.2 -4,-0.4 -4,-0.1 0.699 79.2 125.2 71.3 18.7 24.2 13.7 17.8 412 173 B I S -Q 346 0E 6 -2,-0.3 4,-2.3 -73,-0.2 -73,-0.3 -0.286 40.8-121.8 -54.7 144.8 13.0 29.9 9.8 420 181 B I H > S+ 0 0 37 -75,-3.1 4,-2.6 1,-0.2 5,-0.3 0.864 103.2 54.6 -67.5 -38.0 15.8 32.3 9.2 421 182 B G H > S+ 0 0 22 -76,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.969 117.8 33.4 -61.6 -54.7 14.8 35.0 11.8 422 183 B T H > S+ 0 0 1 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.838 115.7 59.2 -71.7 -30.2 14.8 32.7 14.8 423 184 B A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.925 109.0 43.6 -64.5 -44.6 17.6 30.5 13.4 424 185 B E H X S+ 0 0 91 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.922 114.7 51.9 -61.3 -45.8 19.9 33.5 13.3 425 186 B Y H X S+ 0 0 45 -4,-2.1 4,-1.3 -5,-0.3 5,-0.4 0.959 112.9 42.1 -57.8 -50.3 18.7 34.6 16.7 426 187 B V H X>S+ 0 0 2 -4,-3.2 5,-2.9 1,-0.2 4,-2.3 0.903 116.9 45.8 -70.6 -38.8 19.3 31.2 18.4 427 188 B T H <5S+ 0 0 14 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.704 117.8 44.7 -75.7 -18.5 22.7 30.4 16.7 428 189 B N H <5S+ 0 0 53 -4,-1.5 58,-2.5 -3,-0.3 57,-2.0 0.604 130.8 18.1 -97.8 -13.2 23.9 34.0 17.5 429 190 B N H <5S+ 0 0 31 -4,-1.3 -3,-0.2 -3,-0.3 -2,-0.2 0.614 132.4 20.2-131.3 -25.0 22.7 34.2 21.1 430 191 B I T <5S+ 0 0 81 -4,-2.3 2,-0.8 -5,-0.4 -3,-0.2 0.771 119.0 38.4-119.1 -52.3 21.9 30.8 22.6 431 192 B Y > < + 0 0 43 -5,-2.9 3,-1.6 1,-0.2 -1,-0.2 -0.761 55.5 171.2-112.0 84.1 23.5 27.9 20.9 432 193 B b T 3 S+ 0 0 54 -2,-0.8 -1,-0.2 1,-0.3 -5,-0.1 0.662 79.2 57.9 -67.9 -15.4 27.0 29.0 19.9 433 194 B N T 3 S+ 0 0 92 -3,-0.1 -81,-2.8 2,-0.0 2,-0.3 0.433 94.8 77.0 -97.6 -0.3 27.9 25.5 19.0 434 195 B L E < - 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