==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 30-JUL-07 2QS2 . COMPND 2 MOLECULE: GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR G.M.ALUSHIN,D.E.JANE,M.L.MAYER . 502 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25600.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 11.6 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 0.8 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 . 30 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 4 2 0 2 4 0 4 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 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 . 8 2 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 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 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 0 101 0, 0.0 2,-0.6 0, 0.0 46,-0.4 0.000 360.0 360.0 360.0 106.6 -30.9 13.2 15.5 2 5 A T - 0 0 67 44,-0.1 46,-0.3 46,-0.1 2,-0.3 -0.707 360.0-128.8 -73.7 119.7 -27.6 13.6 17.3 3 6 A L E -a 48 0A 0 44,-2.8 46,-2.6 -2,-0.6 2,-0.6 -0.528 8.3-137.1 -76.4 133.5 -25.6 10.5 16.2 4 7 A I E -a 49 0A 34 -2,-0.3 76,-3.0 44,-0.2 77,-1.8 -0.834 20.3-159.4 -87.1 125.3 -24.0 8.3 18.9 5 8 A V E -ab 50 81A 1 44,-2.5 46,-3.0 -2,-0.6 2,-0.3 -0.930 2.2-153.6-111.7 115.2 -20.5 7.4 17.7 6 9 A T E +ab 51 82A 3 75,-2.7 77,-1.9 -2,-0.6 2,-0.3 -0.651 28.4 153.6 -83.1 140.6 -18.9 4.3 19.3 7 10 A T E -a 52 0A 4 44,-1.2 46,-2.7 -2,-0.3 2,-0.3 -0.876 31.2-128.2-152.9-173.9 -15.1 4.3 19.4 8 11 A I - 0 0 11 75,-0.3 2,-0.4 -2,-0.3 6,-0.0 -0.998 30.0-101.6-147.7 141.7 -12.1 2.9 21.3 9 12 A L + 0 0 82 -2,-0.3 2,-0.2 44,-0.1 6,-0.2 -0.541 58.5 144.9 -66.1 122.8 -9.0 4.3 22.9 10 13 A E B >> -E 14 0B 81 4,-2.2 4,-2.1 -2,-0.4 3,-1.6 -0.745 49.6 -90.2-165.7 110.7 -6.1 3.6 20.5 11 14 A E T 34 S+ 0 0 120 1,-0.3 20,-0.1 -2,-0.2 4,-0.1 -0.450 104.5 2.2 -67.8 135.4 -3.0 5.8 19.8 12 15 A P T 34 S+ 0 0 3 0, 0.0 20,-2.3 0, 0.0 -1,-0.3 -0.879 128.3 60.0 -96.8 20.9 -3.0 7.9 17.6 13 16 A Y T <4 S+ 0 0 11 -3,-1.6 20,-1.6 1,-0.3 21,-0.9 0.903 118.9 7.2 -74.4 -45.2 -6.6 7.4 16.5 14 17 A V B < S+E 10 0B 1 -4,-2.1 -4,-2.2 19,-0.1 2,-0.3 -0.946 74.9 150.8-147.7 117.1 -8.4 8.2 19.7 15 18 A M E -F 30 0C 33 15,-2.6 15,-2.4 -2,-0.3 2,-0.3 -0.945 47.4-103.1-138.9 159.8 -6.9 9.6 22.9 16 19 A Y E -F 29 0C 126 -2,-0.3 13,-0.3 13,-0.2 2,-0.1 -0.678 50.2-106.8 -76.7 139.5 -7.8 11.8 25.8 17 20 A R - 0 0 133 11,-2.5 2,-2.1 -2,-0.3 -1,-0.1 -0.453 24.6-118.3 -68.7 142.2 -6.4 15.3 25.4 18 21 A K S S+ 0 0 211 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.570 78.1 106.8 -81.8 76.4 -3.4 16.1 27.6 19 22 A S - 0 0 50 -2,-2.1 4,-0.1 9,-0.1 -2,-0.1 -0.989 58.6-160.5-156.1 144.2 -5.3 18.9 29.3 20 23 A D + 0 0 177 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.173 60.9 122.5-106.1 12.3 -7.0 19.9 32.6 21 24 A K S S- 0 0 154 1,-0.1 2,-1.7 0, 0.0 -2,-0.1 -0.279 85.5 -85.1 -65.6 158.9 -8.9 22.7 30.8 22 25 A P + 0 0 101 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.529 67.3 161.9 -73.5 90.0 -12.7 22.4 31.1 23 26 A L - 0 0 52 -2,-1.7 2,-0.3 -4,-0.1 5,-0.1 -0.939 12.8-177.5-112.1 129.9 -13.3 20.1 28.2 24 27 A Y > - 0 0 173 -2,-0.5 3,-1.8 0, 0.0 4,-0.1 -0.884 45.0 -15.7-126.8 159.1 -16.6 18.3 27.9 25 28 A G G > S+ 0 0 32 -2,-0.3 3,-1.5 1,-0.3 4,-0.2 -0.208 131.4 0.7 55.5-129.9 -18.2 15.7 25.6 26 29 A N G > S+ 0 0 37 1,-0.3 3,-1.7 22,-0.2 -1,-0.3 0.770 124.0 71.4 -61.6 -26.1 -16.4 15.4 22.3 27 30 A D G < S+ 0 0 104 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.579 81.4 72.8 -71.0 -11.4 -13.8 17.9 23.3 28 31 A R G < S+ 0 0 96 -3,-1.5 -11,-2.5 -4,-0.1 -1,-0.3 0.667 95.4 64.9 -71.8 -18.8 -12.2 15.5 25.8 29 32 A F E < +F 16 0C 11 -3,-1.7 2,-0.3 -13,-0.3 -13,-0.2 -0.710 54.6 174.9-112.9 155.5 -10.8 13.5 22.9 30 33 A E E +F 15 0C 44 -15,-2.4 -15,-2.6 -2,-0.3 2,-0.2 -0.945 26.3 95.6-146.4 167.0 -8.2 14.0 20.1 31 34 A G S > S- 0 0 0 -2,-0.3 4,-2.4 -17,-0.2 3,-0.3 -0.692 80.7 -60.5 134.8 171.6 -6.7 11.9 17.4 32 35 A Y H > S+ 0 0 2 -20,-2.3 4,-2.6 1,-0.2 -19,-0.2 0.895 130.5 48.5 -53.4 -44.7 -7.0 10.9 13.7 33 36 A C H > S+ 0 0 2 -20,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.811 109.1 53.2 -72.6 -28.6 -10.5 9.5 14.2 34 37 A L H > S+ 0 0 16 -21,-0.9 4,-2.2 -3,-0.3 -1,-0.2 0.901 111.2 46.4 -69.2 -40.6 -11.7 12.6 16.0 35 38 A D H X S+ 0 0 40 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.902 113.5 49.2 -64.9 -42.2 -10.4 14.7 13.1 36 39 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.933 110.8 49.9 -61.0 -46.9 -12.0 12.3 10.6 37 40 A L H X S+ 0 0 3 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.898 108.4 52.6 -61.9 -41.3 -15.3 12.5 12.5 38 41 A K H X S+ 0 0 95 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.926 111.2 47.3 -58.9 -44.9 -15.2 16.3 12.6 39 42 A E H X S+ 0 0 50 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.910 112.4 49.1 -62.7 -44.3 -14.7 16.3 8.8 40 43 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.4 0.909 109.2 53.0 -60.3 -44.1 -17.5 13.8 8.2 41 44 A S H X>S+ 0 0 10 -4,-2.7 4,-2.2 1,-0.2 5,-1.2 0.898 111.2 46.7 -58.2 -41.9 -19.8 15.9 10.5 42 45 A N H <5S+ 0 0 115 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.797 115.4 44.5 -75.0 -28.4 -19.1 19.0 8.5 43 46 A I H <5S+ 0 0 59 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.928 125.3 31.8 -77.6 -47.0 -19.6 17.3 5.1 44 47 A L H <5S- 0 0 44 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.742 104.6-126.0 -82.5 -28.1 -22.8 15.4 6.0 45 48 A G T <5 + 0 0 66 -4,-2.2 2,-0.3 -5,-0.4 -3,-0.2 0.953 54.5 144.3 77.6 55.3 -24.2 18.0 8.5 46 49 A F < - 0 0 14 -5,-1.2 2,-0.3 -6,-0.1 -1,-0.2 -0.919 45.8-134.7-122.0 152.4 -24.7 15.9 11.6 47 50 A L - 0 0 123 -46,-0.4 -44,-2.8 -2,-0.3 2,-0.3 -0.755 33.4-170.4 -90.8 151.0 -24.4 16.5 15.3 48 51 A Y E -a 3 0A 23 -2,-0.3 2,-0.4 -46,-0.3 -44,-0.2 -0.982 25.9-152.0-148.2 160.6 -22.6 13.7 17.2 49 52 A D E -a 4 0A 73 -46,-2.6 -44,-2.5 -2,-0.3 2,-0.4 -0.971 21.5-142.2-135.9 110.6 -21.8 12.3 20.7 50 53 A V E -a 5 0A 3 -2,-0.4 2,-0.4 -46,-0.2 -44,-0.2 -0.633 21.3-178.7 -80.8 126.3 -18.6 10.2 21.1 51 54 A K E -a 6 0A 81 -46,-3.0 -44,-1.2 -2,-0.4 -2,-0.0 -0.963 25.5-129.2-130.0 116.3 -19.0 7.3 23.5 52 55 A L E -a 7 0A 41 -2,-0.4 -44,-0.2 -46,-0.2 -46,-0.1 -0.355 40.6 -98.6 -60.8 135.5 -16.1 5.0 24.3 53 56 A V > - 0 0 8 -46,-2.7 3,-1.6 1,-0.1 -44,-0.1 -0.405 32.0-135.8 -60.4 122.3 -17.2 1.3 23.9 54 57 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.840 101.1 43.2 -52.8 -40.1 -18.0 0.1 27.5 55 58 A D T 3 S- 0 0 74 2,-0.1 3,-0.1 3,-0.0 -2,-0.1 0.486 103.7-128.4 -87.1 -2.5 -16.2 -3.2 27.2 56 59 A G < + 0 0 44 -3,-1.6 2,-0.3 1,-0.2 -48,-0.1 0.730 64.1 130.3 63.7 26.9 -13.2 -1.8 25.4 57 60 A K - 0 0 114 1,-0.1 13,-1.4 3,-0.0 -1,-0.2 -0.806 59.6-141.6-113.7 150.9 -13.4 -4.3 22.6 58 61 A Y - 0 0 61 -2,-0.3 13,-1.3 11,-0.2 12,-0.6 0.958 64.8 -83.6 -70.2 -53.0 -13.3 -4.0 18.8 59 62 A G + 0 0 6 10,-0.2 2,-0.3 11,-0.2 10,-0.2 0.047 55.1 164.9 140.2 108.9 -15.9 -6.7 18.2 60 63 A A - 0 0 55 6,-0.1 8,-1.2 -2,-0.0 2,-0.3 -0.898 29.0-116.4-138.5 165.0 -15.7 -10.5 17.9 61 64 A Q B -G 67 0D 96 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.755 15.7-149.3-108.3 145.3 -18.2 -13.3 18.0 62 65 A N > - 0 0 76 4,-2.0 3,-1.9 -2,-0.3 -1,-0.0 -0.480 42.4 -88.4 -98.8-178.4 -18.7 -16.3 20.4 63 66 A D T 3 S+ 0 0 178 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.697 126.1 56.2 -66.2 -21.1 -20.1 -19.8 19.6 64 67 A K T 3 S- 0 0 106 2,-0.1 -1,-0.3 230,-0.0 3,-0.1 0.407 121.8-105.6 -88.2 1.0 -23.7 -18.7 20.2 65 68 A G S < S+ 0 0 26 -3,-1.9 2,-0.4 1,-0.3 -2,-0.2 0.632 72.0 149.2 82.5 15.6 -23.3 -15.9 17.6 66 69 A E - 0 0 72 1,-0.0 -4,-2.0 0, 0.0 -1,-0.3 -0.696 32.1-152.0 -87.9 129.8 -23.2 -13.3 20.3 67 70 A W B -G 61 0D 28 -2,-0.4 2,-0.2 -6,-0.2 -6,-0.2 -0.583 10.9-170.2 -98.1 160.9 -21.1 -10.2 19.5 68 71 A N > + 0 0 55 -8,-1.2 4,-1.8 -2,-0.2 3,-0.4 -0.665 45.5 30.2-128.8-172.1 -19.1 -7.8 21.8 69 72 A G H > S- 0 0 1 -2,-0.2 4,-1.6 1,-0.2 -11,-0.2 -0.037 116.3 -24.3 63.2-157.1 -17.3 -4.5 21.4 70 73 A M H > S+ 0 0 0 -13,-1.4 4,-1.9 -12,-0.6 -1,-0.2 0.852 135.8 59.7 -60.7 -36.2 -18.2 -1.7 18.9 71 74 A V H > S+ 0 0 0 -13,-1.3 4,-2.5 -3,-0.4 -1,-0.2 0.936 104.9 49.4 -58.2 -46.8 -19.8 -4.2 16.6 72 75 A K H X S+ 0 0 74 -4,-1.8 4,-2.7 1,-0.2 6,-0.2 0.883 106.4 56.2 -59.3 -39.8 -22.3 -5.2 19.4 73 76 A E H <>S+ 0 0 9 -4,-1.6 5,-2.7 1,-0.2 6,-1.0 0.896 110.8 44.7 -60.2 -40.7 -23.1 -1.5 20.0 74 77 A L H ><5S+ 0 0 0 -4,-1.9 3,-1.5 4,-0.2 -2,-0.2 0.936 112.7 49.8 -66.1 -48.4 -24.1 -1.1 16.3 75 78 A I H 3<5S+ 0 0 40 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.877 112.4 48.6 -57.5 -41.1 -26.1 -4.4 16.3 76 79 A D T 3<5S- 0 0 32 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.400 112.0-120.4 -80.2 -0.6 -28.0 -3.3 19.4 77 80 A H T < 5S+ 0 0 65 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.803 79.6 124.0 59.2 31.8 -28.7 0.2 17.9 78 81 A R S - 0 0 43 -2,-0.7 4,-2.2 1,-0.1 5,-0.2 -0.915 47.2-117.1-131.9 154.8 -14.1 -8.1 7.3 90 93 A Y H > S+ 0 0 185 -2,-0.3 4,-0.7 1,-0.2 -1,-0.1 0.923 114.6 48.9 -50.8 -51.7 -16.3 -10.8 5.8 91 94 A V H >4 S+ 0 0 55 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.895 111.6 48.5 -63.2 -39.3 -17.7 -11.9 9.2 92 95 A R H >> S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 3,-1.9 0.862 102.2 62.3 -69.7 -34.6 -18.5 -8.4 10.4 93 96 A E H 3< S+ 0 0 55 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.678 92.7 67.7 -65.3 -16.6 -20.3 -7.5 7.1 94 97 A K T << S+ 0 0 102 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.741 117.6 20.6 -66.8 -24.5 -22.8 -10.3 8.0 95 98 A V T <4 S+ 0 0 29 -3,-1.9 124,-0.6 -4,-0.3 2,-0.3 0.569 128.7 25.1-127.6 -17.8 -24.0 -8.2 10.9 96 99 A I E < S-D 218 0A 0 -4,-2.2 2,-0.2 122,-0.2 -1,-0.2 -0.927 70.9-119.5-140.1 166.4 -23.1 -4.5 10.2 97 100 A D E -D 217 0A 0 120,-2.7 120,-2.6 -2,-0.3 2,-0.4 -0.705 24.1-156.0-103.3 161.9 -22.4 -2.3 7.2 98 101 A F E -D 216 0A 6 -2,-0.2 118,-0.2 118,-0.2 2,-0.0 -0.997 14.6-125.3-136.1 141.3 -19.2 -0.4 6.5 99 102 A S - 0 0 2 116,-2.4 3,-0.1 -2,-0.4 126,-0.1 -0.327 52.1 -80.5 -62.7 165.0 -18.3 2.6 4.5 100 103 A K S S- 0 0 117 124,-0.2 115,-0.4 1,-0.1 -1,-0.2 -0.296 71.3 -74.9 -60.5 156.9 -15.5 2.2 2.0 101 104 A P - 0 0 45 0, 0.0 113,-0.3 0, 0.0 -1,-0.1 -0.317 32.2-168.7 -72.5 140.4 -12.1 2.4 3.7 102 105 A F S S+ 0 0 11 111,-2.2 2,-0.3 1,-0.3 112,-0.1 0.547 85.1 28.0 -93.1 -10.7 -10.5 5.6 4.9 103 106 A M E -I 213 0E 11 110,-1.0 110,-2.5 2,-0.0 2,-0.4 -0.980 67.0-157.7-150.3 137.5 -7.2 3.7 5.4 104 107 A T E +I 212 0E 85 -2,-0.3 2,-0.3 108,-0.2 108,-0.2 -0.966 23.3 168.9-119.2 132.1 -5.7 0.7 3.7 105 108 A L E -I 211 0E 0 106,-2.7 106,-1.9 -2,-0.4 2,-0.3 -0.935 15.1-168.8-144.0 158.9 -3.0 -1.4 5.5 106 109 A G - 0 0 0 -2,-0.3 82,-2.5 104,-0.2 104,-0.1 -0.988 37.0 -89.5-150.6 151.2 -1.1 -4.6 5.3 107 110 A I E +J 187 0F 0 -2,-0.3 101,-3.9 80,-0.3 102,-0.5 -0.390 55.8 161.6 -56.6 135.3 1.2 -6.8 7.5 108 111 A S E -J 186 0F 0 78,-3.3 78,-2.1 99,-0.2 2,-0.5 -0.794 36.5 -87.3-143.1-168.6 4.8 -5.8 7.0 109 112 A I E -JK 185 204F 2 95,-0.9 95,-2.6 97,-0.2 2,-0.5 -0.920 21.3-159.3-116.8 129.5 8.2 -6.1 8.7 110 113 A L E +JK 184 203F 0 74,-3.3 74,-2.4 -2,-0.5 2,-0.2 -0.933 35.8 137.4-103.1 123.5 9.8 -3.9 11.3 111 114 A Y E - K 0 202F 9 91,-2.6 91,-3.2 -2,-0.5 72,-0.1 -0.865 50.7 -70.2-152.7 178.8 13.6 -4.3 11.5 112 115 A R E > - K 0 201F 46 -2,-0.2 3,-0.5 89,-0.2 89,-0.2 -0.397 47.9-106.4 -79.7 157.8 16.9 -2.3 11.8 113 116 A K T 3 S+ 0 0 115 87,-1.7 -1,-0.1 1,-0.2 89,-0.0 -0.524 92.7 35.7 -77.4 148.0 18.5 -0.0 9.2 114 117 A G T 3 S+ 0 0 89 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.0 0.543 80.7 122.1 93.1 10.3 21.5 -1.1 7.2 115 118 A T < - 0 0 52 -3,-0.5 -1,-0.3 2,-0.2 -4,-0.0 -0.736 69.8-120.9-103.5 153.8 21.0 -4.8 6.7 116 119 A P S S+ 0 0 127 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.552 78.2 117.1 -65.5 -8.2 20.9 -6.8 3.4 117 120 A I + 0 0 21 1,-0.1 -2,-0.2 5,-0.0 88,-0.1 -0.464 27.5 156.2 -67.3 127.9 17.4 -7.9 4.4 118 121 A D + 0 0 118 -2,-0.2 2,-0.3 1,-0.2 87,-0.2 0.432 55.2 14.0-133.7 -8.3 14.8 -6.6 1.9 119 122 A S S > S- 0 0 39 86,-0.1 4,-1.0 85,-0.1 -1,-0.2 -0.953 76.5 -95.1-159.9 174.6 11.8 -9.0 2.1 120 123 A A H > S+ 0 0 9 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.802 120.6 61.0 -68.0 -32.3 9.8 -11.7 3.9 121 124 A D H > S+ 0 0 91 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.835 99.6 56.0 -61.4 -35.3 11.6 -14.3 1.6 122 125 A D H 4 S+ 0 0 36 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.853 112.5 41.0 -66.1 -37.3 14.9 -13.1 3.1 123 126 A L H >< S+ 0 0 0 -4,-1.0 3,-1.5 1,-0.1 -2,-0.2 0.900 109.8 59.2 -74.4 -43.2 13.7 -13.9 6.6 124 127 A A H 3< S+ 0 0 12 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.1 0.818 101.3 53.1 -56.0 -39.2 12.0 -17.2 5.7 125 128 A K T 3< S+ 0 0 142 -4,-1.4 2,-0.3 -5,-0.1 -1,-0.3 0.218 108.7 53.1 -90.4 15.2 15.1 -18.9 4.3 126 129 A Q < - 0 0 40 -3,-1.5 0, 0.0 3,-0.1 0, 0.0 -0.940 51.7-163.7-143.5 168.5 17.3 -18.3 7.4 127 130 A T S S+ 0 0 81 -2,-0.3 -1,-0.1 3,-0.1 4,-0.1 0.490 75.2 82.4-129.9 -14.6 17.3 -18.9 11.2 128 131 A K S S+ 0 0 190 1,-0.1 2,-0.7 2,-0.1 53,-0.1 0.943 90.6 55.2 -59.7 -52.2 20.0 -16.6 12.5 129 132 A I S S- 0 0 22 -6,-0.1 2,-0.2 53,-0.0 53,-0.2 -0.787 89.4-144.4 -84.9 113.8 17.7 -13.5 12.5 130 133 A E E -l 182 0F 31 51,-1.6 53,-1.9 -2,-0.7 2,-0.3 -0.525 21.0-177.8 -80.5 147.5 14.7 -14.4 14.6 131 134 A Y E +l 183 0F 1 51,-0.2 2,-0.3 -2,-0.2 53,-0.2 -0.976 12.2 132.8-143.9 155.8 11.2 -13.1 13.6 132 135 A G E -l 184 0F 0 51,-1.6 53,-2.8 -2,-0.3 2,-0.3 -0.934 34.2-109.8-173.8-165.5 7.7 -13.3 14.9 133 136 A A - 0 0 0 -2,-0.3 34,-1.7 51,-0.2 2,-0.2 -0.869 45.8 -70.9-141.0 171.2 4.4 -11.6 15.8 134 137 A V B > -m 167 0G 30 51,-0.5 3,-1.5 -2,-0.3 6,-0.5 -0.536 65.0-101.0 -64.3 130.9 2.2 -10.5 18.8 135 138 A R T 3 S- 0 0 96 32,-3.3 -1,-0.1 -2,-0.2 3,-0.1 -0.349 97.5 -2.5 -60.8 128.0 0.7 -13.7 20.3 136 139 A D T 3 S+ 0 0 129 1,-0.2 -1,-0.2 -2,-0.1 2,-0.1 0.619 101.4 128.2 66.9 18.2 -3.0 -14.3 19.2 137 140 A G S <> S- 0 0 26 -3,-1.5 4,-2.3 1,-0.1 -1,-0.2 -0.363 77.9 -93.8 -92.2 178.5 -3.2 -11.1 17.2 138 141 A S H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.872 123.7 53.2 -60.8 -39.1 -4.5 -10.7 13.6 139 142 A T H > S+ 0 0 12 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.909 110.5 45.5 -66.9 -43.6 -0.9 -10.9 12.2 140 143 A M H > S+ 0 0 10 -6,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.930 112.5 52.5 -61.9 -45.1 -0.1 -14.2 14.0 141 144 A T H X S+ 0 0 49 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.857 104.0 57.3 -60.7 -39.0 -3.5 -15.5 12.9 142 145 A F H X S+ 0 0 43 -4,-2.2 4,-1.5 1,-0.2 3,-0.4 0.963 109.7 43.5 -53.0 -57.0 -2.8 -14.6 9.3 143 146 A F H < S+ 0 0 1 -4,-1.7 12,-0.2 1,-0.2 -2,-0.2 0.828 112.2 55.0 -59.8 -33.6 0.4 -16.7 9.3 144 147 A K H < S+ 0 0 114 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.837 115.9 36.6 -68.8 -34.5 -1.5 -19.5 11.1 145 148 A K H < S+ 0 0 161 -4,-2.0 -2,-0.2 -3,-0.4 -1,-0.2 0.586 91.7 116.4 -93.5 -13.4 -4.2 -19.6 8.4 146 149 A S < - 0 0 17 -4,-1.5 9,-0.1 -5,-0.2 -3,-0.0 -0.278 41.8-171.8 -67.6 140.3 -2.0 -19.0 5.3 147 150 A K + 0 0 192 5,-0.0 2,-0.3 4,-0.0 -1,-0.1 0.401 53.2 114.9-106.7 -4.4 -1.6 -21.6 2.6 148 151 A I S >> S- 0 0 89 1,-0.1 4,-1.8 2,-0.0 3,-0.8 -0.561 70.0-133.4 -67.5 126.3 1.1 -19.6 0.8 149 152 A S H 3> S+ 0 0 88 -2,-0.3 4,-2.1 1,-0.3 5,-0.2 0.853 101.1 50.6 -56.2 -45.7 4.3 -21.7 1.1 150 153 A T H 3> S+ 0 0 30 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.786 114.5 44.9 -65.4 -29.1 6.7 -18.9 2.2 151 154 A Y H <> S+ 0 0 35 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.698 109.0 56.7 -87.1 -21.5 4.3 -17.9 5.0 152 155 A E H X S+ 0 0 98 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.872 109.2 46.1 -68.8 -40.5 3.8 -21.5 6.0 153 156 A K H X S+ 0 0 132 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.857 112.7 50.7 -68.4 -37.5 7.5 -21.8 6.5 154 157 A M H X S+ 0 0 0 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.880 111.2 47.6 -67.0 -39.6 7.5 -18.5 8.4 155 158 A W H X S+ 0 0 54 -4,-2.0 4,-3.0 -12,-0.2 5,-0.3 0.877 107.4 56.9 -66.8 -39.4 4.6 -19.8 10.6 156 159 A A H X S+ 0 0 51 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.918 109.9 45.0 -55.6 -46.0 6.5 -23.1 11.1 157 160 A F H X S+ 0 0 16 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.885 115.4 47.1 -65.5 -42.3 9.5 -21.0 12.5 158 161 A M H < S+ 0 0 0 -4,-1.9 8,-0.3 2,-0.2 -2,-0.2 0.864 115.3 45.0 -67.2 -40.5 7.3 -18.8 14.7 159 162 A S H >< S+ 0 0 47 -4,-3.0 3,-1.0 1,-0.2 -2,-0.2 0.853 113.6 48.2 -74.8 -37.6 5.3 -21.7 16.1 160 163 A S H 3< S+ 0 0 85 -4,-2.1 3,-0.2 1,-0.3 -2,-0.2 0.804 116.4 43.5 -73.1 -32.0 8.3 -24.0 16.8 161 164 A R T >X S+ 0 0 95 -4,-1.5 4,-3.0 -5,-0.2 3,-0.9 -0.182 82.1 144.8-100.4 37.2 10.1 -21.1 18.5 162 165 A Q H <> + 0 0 71 -3,-1.0 4,-1.2 1,-0.2 -1,-0.2 0.816 60.3 52.8 -45.7 -52.9 6.8 -20.2 20.2 163 166 A Q H 34 S+ 0 0 145 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.818 126.7 18.5 -56.5 -41.3 8.2 -19.0 23.6 164 167 A S H <4 S+ 0 0 43 -3,-0.9 -2,-0.2 -6,-0.1 -1,-0.2 0.840 118.8 57.3-103.3 -45.7 10.6 -16.5 22.2 165 168 A A H < S+ 0 0 0 -4,-3.0 2,-0.4 -7,-0.2 -3,-0.2 0.843 101.3 63.1 -61.0 -37.6 9.6 -15.7 18.6 166 169 A L S < S- 0 0 6 -4,-1.2 -32,-0.2 -5,-0.5 2,-0.2 -0.779 76.0-153.8 -94.7 132.9 6.1 -14.6 19.6 167 170 A V B -m 134 0G 0 -34,-1.7 -32,-3.3 -2,-0.4 3,-0.1 -0.563 22.0-122.7-103.4 165.8 5.7 -11.5 21.9 168 171 A K S S- 0 0 156 -34,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.892 86.7 -12.7 -73.4 -42.6 3.1 -10.4 24.4 169 172 A N S > S- 0 0 65 -35,-0.1 4,-2.2 1,-0.1 -1,-0.2 -0.926 72.7 -92.5-152.1 173.1 2.3 -7.1 22.7 170 173 A S H > S+ 0 0 50 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.874 121.9 55.0 -59.7 -41.2 3.5 -4.5 20.2 171 174 A D H > S+ 0 0 127 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.884 109.6 46.9 -59.3 -42.5 5.5 -2.6 22.8 172 175 A E H > S+ 0 0 77 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.900 111.5 51.8 -63.9 -43.8 7.4 -5.8 23.8 173 176 A G H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.870 107.8 50.4 -62.8 -41.8 8.0 -6.6 20.1 174 177 A I H X S+ 0 0 25 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.911 110.7 50.2 -62.0 -43.6 9.5 -3.1 19.4 175 178 A Q H X S+ 0 0 117 -4,-1.7 4,-1.6 1,-0.2 5,-0.3 0.861 109.4 51.8 -61.6 -37.6 11.8 -3.5 22.4 176 179 A R H X S+ 0 0 50 -4,-2.0 4,-2.3 2,-0.2 6,-0.2 0.852 110.1 48.7 -66.1 -38.8 12.8 -7.0 21.1 177 180 A V H < S+ 0 0 0 -4,-2.0 5,-0.4 1,-0.2 -2,-0.2 0.922 114.4 46.3 -63.4 -45.0 13.6 -5.3 17.7 178 181 A L H < S+ 0 0 65 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.746 125.3 28.5 -71.1 -26.6 15.6 -2.6 19.5 179 182 A T H < S+ 0 0 97 -4,-1.6 2,-0.2 -5,-0.2 -3,-0.2 0.753 119.7 39.9-109.1 -31.8 17.6 -4.9 21.8 180 183 A T S < S- 0 0 59 -4,-2.3 2,-2.0 -5,-0.3 -1,-0.0 -0.709 92.6 -92.3-116.6 166.9 17.9 -8.3 20.0 181 184 A D S S+ 0 0 81 -2,-0.2 -51,-1.6 -53,-0.1 2,-0.4 -0.559 80.9 135.3 -75.1 79.2 18.5 -9.5 16.4 182 185 A Y E - l 0 130F 0 -2,-2.0 2,-0.5 -5,-0.4 -51,-0.2 -0.979 47.4-155.3-140.2 139.6 14.7 -9.6 15.8 183 186 A A E - l 0 131F 0 -53,-1.9 -51,-1.6 -2,-0.4 2,-0.5 -0.978 18.5-146.6-115.6 129.3 12.3 -8.6 13.1 184 187 A L E -Jl 110 132F 1 -74,-2.4 -74,-3.3 -2,-0.5 2,-0.6 -0.826 4.1-144.2 -99.9 130.4 8.6 -7.9 14.1 185 188 A L E +J 109 0F 2 -53,-2.8 -51,-0.5 -2,-0.5 2,-0.3 -0.841 43.9 140.8 -89.2 119.0 5.7 -8.7 11.8 186 189 A M E -J 108 0F 8 -78,-2.1 -78,-3.3 -2,-0.6 -80,-0.1 -0.944 55.2 -66.1-154.1 167.1 3.1 -6.0 12.3 187 190 A E E > -J 107 0F 19 -2,-0.3 4,-2.1 -80,-0.2 3,-0.5 -0.368 42.4-124.8 -64.3 139.6 0.6 -3.8 10.5 188 191 A S H > S+ 0 0 4 -82,-2.5 4,-2.5 1,-0.2 5,-0.2 0.827 110.4 58.1 -52.9 -39.8 2.1 -1.2 8.1 189 192 A T H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.931 108.3 45.6 -55.1 -48.2 0.3 1.6 9.9 190 193 A S H > S+ 0 0 47 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.877 111.3 52.0 -65.7 -40.4 2.0 0.7 13.2 191 194 A I H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.925 109.4 50.0 -60.6 -45.7 5.4 0.4 11.5 192 195 A E H X S+ 0 0 60 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.910 111.9 48.5 -58.7 -44.1 5.0 3.9 9.9 193 196 A Y H < S+ 0 0 36 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.898 115.8 43.2 -63.3 -43.6 4.1 5.3 13.3 194 197 A V H >X S+ 0 0 17 -4,-2.4 4,-1.3 1,-0.2 3,-1.1 0.903 110.8 52.9 -71.0 -44.9 7.1 3.6 15.1 195 198 A T H 3< S+ 0 0 31 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.788 103.6 58.0 -65.7 -28.7 9.7 4.4 12.4 196 199 A Q T 3< S+ 0 0 91 -4,-1.5 -1,-0.3 -5,-0.2 55,-0.2 0.751 115.5 37.8 -66.1 -23.5 8.8 8.1 12.5 197 200 A R T <4 S+ 0 0 102 -3,-1.1 2,-0.4 -4,-0.5 -2,-0.2 0.529 117.1 51.8-108.2 -11.9 9.7 7.9 16.2 198 201 A N >< - 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