==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 02-JUN-13 4L17 . COMPND 2 MOLECULE: GLUTAMATE RECEPTOR 2; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR A.Y.LAU,L.BLACHOWICZ,B.ROUX . 1034 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49151.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 675 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 70 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 277 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.2 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 10 2 1 7 4 0 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 4 2 2 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 PARALLEL BRIDGES PER LADDER . 10 6 8 8 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 . 6 4 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 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 3 A N 0 0 145 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-175.6 -14.3 66.2 40.9 2 4 A K + 0 0 181 2,-0.1 2,-0.7 47,-0.0 46,-0.5 -0.175 360.0 127.4-100.9 38.2 -14.5 64.9 44.4 3 5 A T - 0 0 57 44,-0.1 2,-0.3 46,-0.0 46,-0.3 -0.869 61.3-128.9 -99.0 112.8 -13.6 61.4 43.3 4 6 A V E -a 49 0A 18 44,-2.5 46,-2.5 -2,-0.7 2,-0.8 -0.430 16.1-136.1 -65.4 119.8 -10.7 60.0 45.2 5 7 A V E -a 50 0A 44 -2,-0.3 77,-1.8 44,-0.2 78,-1.3 -0.685 20.2-160.1 -80.3 108.9 -8.0 58.6 42.8 6 8 A V E -ab 51 83A 0 44,-2.9 46,-3.1 -2,-0.8 2,-0.4 -0.815 0.8-157.0 -96.2 115.4 -6.9 55.2 44.2 7 9 A T E +ab 52 84A 0 76,-2.6 78,-1.4 -2,-0.7 2,-0.3 -0.743 23.3 161.9 -88.8 136.4 -3.5 54.0 43.0 8 10 A T E -a 53 0A 2 44,-2.2 46,-2.4 -2,-0.4 2,-0.2 -0.965 31.0-119.6-149.4 163.8 -3.0 50.2 43.2 9 11 A I - 0 0 7 -2,-0.3 2,-1.1 44,-0.2 46,-0.1 -0.631 26.0-114.2-106.0 164.8 -0.7 47.5 41.8 10 12 A L + 0 0 84 -2,-0.2 2,-0.4 44,-0.2 6,-0.1 -0.639 61.7 135.1-100.9 76.3 -1.6 44.4 39.8 11 13 A E >> - 0 0 49 -2,-1.1 4,-2.4 5,-0.0 3,-0.9 -0.986 53.7 -81.7-128.4 131.4 -0.6 41.6 42.2 12 14 A S T 34 S+ 0 0 46 -2,-0.4 185,-0.1 1,-0.3 20,-0.1 -0.508 103.4 1.5 -78.3 143.6 -2.7 38.4 43.0 13 15 A P T 34 S+ 0 0 1 0, 0.0 20,-2.1 0, 0.0 -1,-0.3 -0.908 124.6 64.7 -97.5 21.6 -4.9 38.0 44.8 14 16 A Y T <4 S+ 0 0 2 -3,-0.9 21,-1.2 1,-0.3 20,-0.6 0.961 119.6 6.2 -66.3 -54.9 -4.9 41.7 45.9 15 17 A V S < S+ 0 0 3 -4,-2.4 2,-0.3 19,-0.2 -1,-0.3 -0.975 77.8 159.6-135.1 122.2 -5.9 43.2 42.5 16 18 A M E -E 31 0B 33 15,-2.9 15,-2.0 -2,-0.4 2,-0.3 -0.966 41.7-102.3-140.2 153.6 -6.8 41.1 39.5 17 19 A M E -E 30 0B 78 -2,-0.3 13,-0.2 13,-0.2 12,-0.1 -0.571 40.5-126.8 -75.5 135.9 -8.6 41.4 36.2 18 20 A K - 0 0 65 11,-2.4 3,-0.5 -2,-0.3 -1,-0.1 0.125 28.9 -93.8 -67.7-170.2 -12.2 40.0 36.1 19 21 A K S S+ 0 0 134 1,-0.2 3,-0.3 2,-0.1 2,-0.1 0.970 121.4 23.1 -73.8 -57.8 -13.5 37.5 33.6 20 22 A N S >> S+ 0 0 81 1,-0.2 3,-1.3 2,-0.1 4,-1.0 -0.317 76.6 141.6-104.2 48.7 -15.1 39.9 31.1 21 23 A H T 34 + 0 0 59 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.755 69.5 62.0 -61.9 -23.4 -13.0 43.0 32.1 22 24 A E T 34 S+ 0 0 63 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.820 107.8 42.4 -70.0 -31.1 -12.9 43.9 28.4 23 25 A M T <4 S+ 0 0 102 -3,-1.3 -2,-0.2 698,-0.1 -1,-0.2 0.578 109.3 75.5 -89.4 -12.5 -16.7 44.2 28.5 24 26 A L < - 0 0 55 -4,-1.0 2,-0.3 5,-0.1 5,-0.1 -0.531 65.1-152.7 -99.8 166.1 -16.7 46.1 31.8 25 27 A E > - 0 0 73 -2,-0.2 3,-0.8 0, 0.0 -3,-0.0 -0.986 49.1 -5.3-140.4 148.8 -15.7 49.6 32.7 26 28 A G G > S- 0 0 21 -2,-0.3 3,-2.1 1,-0.2 4,-0.3 -0.312 120.7 -16.1 72.7-153.5 -14.3 51.5 35.7 27 29 A N G > S+ 0 0 32 1,-0.3 3,-1.7 22,-0.2 -1,-0.2 0.760 125.6 74.2 -56.5 -27.1 -13.8 49.8 39.1 28 30 A E G < S+ 0 0 114 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.551 83.0 70.5 -67.8 -5.9 -16.0 46.9 38.0 29 31 A R G < S+ 0 0 70 -3,-2.1 -11,-2.4 -5,-0.1 -1,-0.3 0.766 96.3 58.5 -78.6 -27.3 -13.1 45.7 35.9 30 32 A Y E < +E 17 0B 17 -3,-1.7 2,-0.3 -4,-0.3 -13,-0.2 -0.591 58.4 175.7-106.2 163.9 -11.0 44.7 38.8 31 33 A E E +E 16 0B 58 -15,-2.0 -15,-2.9 -2,-0.2 2,-0.3 -0.977 25.1 83.2-157.7 161.7 -11.5 42.3 41.8 32 34 A G S > S- 0 0 0 -2,-0.3 4,-2.3 -17,-0.2 -18,-0.3 -0.820 82.3 -44.0 135.7-173.5 -9.5 40.9 44.7 33 35 A Y H > S+ 0 0 2 -20,-2.1 4,-2.7 -2,-0.3 3,-0.3 0.963 132.7 39.9 -55.6 -61.1 -8.5 41.6 48.3 34 36 A C H > S+ 0 0 3 -20,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.790 112.7 57.7 -63.7 -29.1 -7.5 45.2 47.9 35 37 A V H > S+ 0 0 17 -21,-1.2 4,-1.3 2,-0.2 -1,-0.2 0.909 111.5 41.5 -66.4 -42.3 -10.5 45.8 45.6 36 38 A D H X S+ 0 0 40 -4,-2.3 4,-1.5 -3,-0.3 -2,-0.2 0.890 115.0 51.7 -69.5 -41.0 -12.8 44.6 48.4 37 39 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.913 105.6 54.9 -61.9 -44.6 -10.9 46.5 51.0 38 40 A A H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.890 104.7 54.6 -55.9 -42.1 -11.0 49.8 49.0 39 41 A A H X S+ 0 0 40 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.893 111.5 44.0 -59.9 -42.1 -14.8 49.5 48.9 40 42 A E H X S+ 0 0 42 -4,-1.5 4,-2.3 2,-0.2 5,-0.3 0.941 111.6 51.7 -69.7 -49.4 -15.0 49.2 52.7 41 43 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.919 113.7 45.4 -51.3 -47.7 -12.5 52.0 53.4 42 44 A A H X>S+ 0 0 5 -4,-2.5 5,-1.8 -5,-0.2 4,-0.8 0.827 109.5 56.9 -66.9 -32.7 -14.5 54.3 51.1 43 45 A K H <5S+ 0 0 139 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.916 115.2 34.3 -65.5 -45.0 -17.8 53.2 52.7 44 46 A H H <5S+ 0 0 80 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.800 121.2 47.1 -83.7 -31.1 -16.7 54.2 56.2 45 47 A C H <5S- 0 0 30 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.568 109.8-131.3 -83.1 -10.2 -14.7 57.2 55.2 46 48 A G T <5 + 0 0 62 -4,-0.8 2,-0.3 -5,-0.2 -3,-0.2 0.985 55.7 124.6 60.3 71.0 -17.6 58.2 52.9 47 49 A F < - 0 0 33 -5,-1.8 2,-0.3 -43,-0.0 -1,-0.2 -0.982 57.3-121.4-156.5 145.8 -16.1 58.9 49.5 48 50 A K - 0 0 145 -46,-0.5 -44,-2.5 -2,-0.3 2,-0.3 -0.685 39.9-172.9 -84.3 141.1 -16.5 57.9 45.9 49 51 A Y E -a 4 0A 45 -2,-0.3 2,-0.4 -46,-0.3 -44,-0.2 -0.835 23.4-141.9-134.5 167.5 -13.3 56.6 44.4 50 52 A K E -a 5 0A 90 -46,-2.5 -44,-2.9 -2,-0.3 2,-0.5 -0.991 20.3-134.9-133.8 126.5 -11.6 55.4 41.1 51 53 A L E +a 6 0A 6 -2,-0.4 2,-0.4 -46,-0.2 -44,-0.2 -0.676 27.3 176.9 -84.3 125.6 -9.2 52.5 40.9 52 54 A T E -a 7 0A 37 -46,-3.1 -44,-2.2 -2,-0.5 2,-0.5 -0.983 25.6-129.4-128.7 140.7 -6.1 53.1 38.8 53 55 A I E -a 8 0A 49 -2,-0.4 -44,-0.2 -46,-0.2 -46,-0.1 -0.758 34.0-106.3 -91.0 130.3 -3.1 50.8 38.2 54 56 A V > - 0 0 3 -46,-2.4 3,-1.1 -2,-0.5 -44,-0.2 -0.307 28.2-133.4 -55.6 129.2 0.3 52.2 38.8 55 57 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.1 16,-0.1 17,-0.0 0.908 101.7 39.5 -53.3 -55.7 2.0 52.8 35.4 56 58 A D T 3 S- 0 0 84 2,-0.1 -1,-0.3 15,-0.1 3,-0.1 0.475 104.0-128.7 -78.6 -1.2 5.4 51.3 36.0 57 59 A G < + 0 0 43 -3,-1.1 2,-0.3 1,-0.2 -2,-0.1 0.813 64.7 128.4 58.9 33.2 3.8 48.5 38.0 58 60 A K - 0 0 113 1,-0.1 14,-0.9 -49,-0.0 -1,-0.2 -0.745 59.5-136.4-116.0 165.6 6.1 49.0 41.0 59 61 A Y - 0 0 63 12,-0.3 14,-1.9 -2,-0.3 13,-1.0 0.950 65.9 -63.0 -85.2 -58.8 5.6 49.5 44.7 60 62 A G + 0 0 5 11,-0.2 2,-0.4 12,-0.2 11,-0.2 -0.189 58.1 161.3 162.6 101.3 7.9 52.3 45.6 61 63 A A - 0 0 51 7,-0.1 9,-1.2 -2,-0.1 2,-0.8 -0.983 33.4-129.4-132.5 144.2 11.7 52.7 45.6 62 64 A R B -F 69 0C 135 -2,-0.4 7,-0.2 7,-0.2 5,-0.1 -0.817 27.0-128.1 -96.4 107.0 13.9 55.7 45.6 63 65 A D > - 0 0 75 5,-2.4 4,-2.1 -2,-0.8 5,-0.4 -0.314 14.6-143.1 -54.7 122.3 16.5 55.6 42.8 64 66 A A T 4 S+ 0 0 87 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.731 94.5 40.7 -65.4 -24.6 19.9 56.2 44.5 65 67 A D T 4 S+ 0 0 127 3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.817 126.0 30.4 -94.9 -35.4 21.3 58.3 41.7 66 68 A T T 4 S- 0 0 68 2,-0.2 -2,-0.2 0, 0.0 3,-0.1 0.527 93.0-137.0-100.0 -9.3 18.3 60.4 40.7 67 69 A K < + 0 0 52 -4,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.826 57.6 138.9 55.2 34.0 16.8 60.5 44.1 68 70 A I - 0 0 90 -5,-0.4 -5,-2.4 -7,-0.0 -1,-0.2 -0.926 48.8-133.1-115.2 133.2 13.4 60.0 42.5 69 71 A W B -F 62 0C 29 -2,-0.4 -7,-0.2 -7,-0.2 2,-0.2 -0.478 23.1-168.7 -80.7 151.8 10.7 57.7 43.8 70 72 A N > + 0 0 46 -9,-1.2 4,-2.3 -2,-0.2 3,-0.4 -0.564 44.2 28.0-124.0-170.1 8.8 55.2 41.6 71 73 A G H > S- 0 0 1 1,-0.2 4,-1.4 2,-0.2 -12,-0.3 -0.118 119.2 -28.6 55.7-147.6 5.8 53.0 41.8 72 74 A M H > S+ 0 0 0 -13,-1.0 4,-1.1 -14,-0.9 -1,-0.2 0.848 137.9 58.6 -72.4 -36.5 2.8 53.9 44.0 73 75 A V H >> S+ 0 0 0 -14,-1.9 4,-2.2 -3,-0.4 3,-0.5 0.910 107.4 49.1 -57.9 -42.1 5.0 55.8 46.5 74 76 A G H 3X S+ 0 0 2 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.874 104.0 58.5 -64.5 -38.9 6.1 58.0 43.7 75 77 A E H 3<>S+ 0 0 33 -4,-1.4 5,-3.3 -5,-0.2 6,-1.4 0.756 111.0 44.2 -64.5 -23.6 2.5 58.6 42.5 76 78 A L H X<5S+ 0 0 4 -4,-1.1 3,-1.9 -3,-0.5 -2,-0.2 0.929 110.4 49.8 -84.0 -52.5 1.8 60.0 46.0 77 79 A V H 3<5S+ 0 0 51 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.1 0.661 115.6 46.8 -63.8 -15.7 4.8 62.2 46.5 78 80 A Y T 3<5S- 0 0 112 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.019 116.2-110.2-117.4 28.5 4.2 63.8 43.1 79 81 A G T < 5S+ 0 0 68 -3,-1.9 -3,-0.2 2,-0.1 -2,-0.1 0.845 81.8 120.8 49.4 49.7 0.5 64.4 43.4 80 82 A K S - 0 0 23 -2,-0.9 4,-2.2 1,-0.1 5,-0.1 -0.747 44.7-115.1-119.5 167.5 9.2 50.6 55.7 92 94 A Y H > S+ 0 0 46 -2,-0.2 4,-1.2 404,-0.2 -1,-0.1 0.966 112.7 47.7 -64.4 -56.9 11.3 53.4 57.3 93 95 A V H 4 S+ 0 0 76 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.814 115.3 47.5 -57.8 -32.7 12.4 55.2 54.1 94 96 A R H >> S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 3,-2.1 0.902 105.8 55.9 -75.2 -42.8 8.8 55.2 52.9 95 97 A E H 3< S+ 0 0 17 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.731 101.1 62.8 -60.9 -20.6 7.3 56.4 56.2 96 98 A E T 3< S+ 0 0 91 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.629 116.1 27.3 -78.0 -15.0 9.7 59.3 55.8 97 99 A V T <4 S+ 0 0 38 -3,-2.1 127,-0.5 -4,-0.2 2,-0.3 0.547 125.9 30.5-123.3 -16.6 7.9 60.5 52.6 98 100 A I E < S-D 223 0A 0 -4,-2.3 2,-0.6 125,-0.2 -1,-0.2 -0.906 76.5-107.9-139.9 169.0 4.4 59.2 53.0 99 101 A D E -D 222 0A 58 123,-3.1 123,-2.5 -2,-0.3 2,-0.3 -0.887 30.6-161.6-105.0 117.7 1.8 58.5 55.7 100 102 A F E -D 221 0A 12 -2,-0.6 121,-0.2 121,-0.2 2,-0.1 -0.749 10.2-138.0 -96.0 142.2 1.0 54.8 56.5 101 103 A S - 0 0 8 119,-2.3 3,-0.1 -2,-0.3 132,-0.1 -0.349 47.6 -71.4 -80.1 173.3 -2.1 53.6 58.3 102 104 A K S S- 0 0 11 131,-0.1 118,-0.4 1,-0.1 -1,-0.2 -0.420 72.4 -79.3 -64.3 145.7 -1.9 50.9 60.9 103 105 A P - 0 0 32 0, 0.0 116,-0.2 0, 0.0 -1,-0.1 -0.103 36.3-169.5 -49.9 139.3 -1.1 47.5 59.3 104 106 A F S S+ 0 0 9 114,-2.5 2,-0.3 1,-0.3 115,-0.1 0.309 78.8 24.8-109.0 2.6 -4.1 45.7 57.7 105 107 A M E S-H 218 0D 17 113,-0.8 113,-2.4 2,-0.0 -1,-0.3 -0.857 71.0-143.9-166.9 129.2 -2.1 42.5 57.3 106 108 A S E +H 217 0D 60 -2,-0.3 2,-0.3 111,-0.2 111,-0.2 -0.738 31.1 150.9 -97.8 146.0 1.0 41.0 59.0 107 109 A L E -H 216 0D 5 109,-1.5 109,-2.6 -2,-0.3 2,-0.3 -0.876 19.0-167.5-154.8-174.6 3.7 39.0 57.2 108 110 A G - 0 0 0 107,-0.3 84,-1.6 -2,-0.3 107,-0.1 -0.952 43.1 -65.6-176.7 160.8 7.3 38.0 57.2 109 111 A I E +I 191 0E 0 -2,-0.3 104,-2.6 82,-0.2 105,-0.4 -0.375 58.2 179.1 -59.5 126.3 10.1 36.4 55.1 110 112 A S E -I 190 0E 0 80,-3.1 80,-1.8 102,-0.2 2,-0.5 -0.841 28.6-111.3-128.5 165.7 9.3 32.8 54.5 111 113 A I E -IJ 189 209E 2 98,-0.9 98,-2.0 -2,-0.3 2,-0.5 -0.870 23.3-162.4-102.5 124.4 10.8 29.8 52.7 112 114 A M E +IJ 188 208E 0 76,-2.7 76,-2.7 -2,-0.5 2,-0.3 -0.923 17.8 170.1-105.0 123.4 9.1 28.4 49.6 113 115 A I E - J 0 207E 3 94,-2.2 94,-2.4 -2,-0.5 2,-0.4 -0.913 40.1-103.4-127.8 156.5 10.2 24.9 48.6 114 116 A K E > - J 0 206E 49 72,-0.3 3,-2.2 -2,-0.3 92,-0.3 -0.656 56.8 -93.5 -74.2 130.8 9.0 22.3 46.1 115 117 A K T 3 S+ 0 0 94 90,-2.1 -1,-0.1 -2,-0.4 91,-0.0 -0.160 114.4 35.7 -48.1 133.5 7.1 19.6 48.0 116 118 A G T 3 S+ 0 0 77 1,-0.4 -1,-0.3 3,-0.1 90,-0.0 0.124 80.9 137.9 105.3 -18.6 9.4 16.7 48.9 117 119 A T < - 0 0 16 -3,-2.2 2,-2.5 1,-0.1 -1,-0.4 -0.428 60.5-127.0 -62.9 127.3 12.4 19.0 49.5 118 120 A P S S+ 0 0 109 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.317 72.6 112.6 -74.5 57.3 14.4 17.9 52.6 119 121 A I + 0 0 7 -2,-2.5 -3,-0.1 1,-0.1 3,-0.1 -0.999 28.9 162.3-132.9 135.8 14.2 21.3 54.2 120 122 A E + 0 0 155 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.499 67.2 9.8-125.3 -13.6 12.4 22.4 57.3 121 123 A S S > S- 0 0 35 89,-0.1 4,-1.2 1,-0.1 3,-0.4 -0.962 74.6 -99.3-158.9 171.5 14.0 25.7 58.3 122 124 A A H > S+ 0 0 8 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.824 119.6 61.5 -67.0 -32.3 16.4 28.4 57.3 123 125 A E H > S+ 0 0 100 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.816 99.8 56.2 -63.9 -30.4 19.1 26.7 59.5 124 126 A D H >4 S+ 0 0 53 -3,-0.4 3,-0.6 1,-0.2 -1,-0.2 0.917 105.4 49.6 -66.9 -44.7 18.8 23.7 57.2 125 127 A L H >< S+ 0 0 0 -4,-1.2 3,-0.9 1,-0.2 -1,-0.2 0.833 109.1 54.0 -62.0 -33.0 19.5 25.8 54.1 126 128 A S H 3< S+ 0 0 4 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.708 103.0 56.0 -77.8 -21.0 22.6 27.3 55.8 127 129 A K T << S+ 0 0 136 -4,-0.9 2,-0.3 -3,-0.6 -1,-0.2 0.064 111.6 39.6 -99.1 24.5 24.1 23.9 56.7 128 130 A Q < - 0 0 44 -3,-0.9 0, 0.0 3,-0.1 0, 0.0 -0.986 47.2-162.2-162.6 166.9 24.1 22.6 53.1 129 131 A T S S+ 0 0 110 -2,-0.3 -1,-0.1 3,-0.1 -4,-0.0 0.457 73.7 92.8-129.8 -16.8 24.8 23.5 49.4 130 132 A E S S+ 0 0 140 1,-0.2 2,-0.7 2,-0.0 -5,-0.0 0.873 89.7 50.3 -47.2 -43.5 23.0 20.6 47.7 131 133 A I S S- 0 0 7 -6,-0.1 55,-0.2 -13,-0.1 -1,-0.2 -0.887 84.4-146.9-105.4 112.2 19.9 22.8 47.5 132 134 A A E -k 186 0E 24 53,-1.8 55,-2.6 -2,-0.7 2,-0.3 -0.374 19.6-176.5 -72.6 154.5 20.4 26.3 46.1 133 135 A Y E +k 187 0E 3 53,-0.3 2,-0.3 23,-0.1 55,-0.2 -0.990 9.6 152.8-155.4 145.4 18.3 29.2 47.4 134 136 A G E -k 188 0E 0 53,-1.7 55,-2.2 -2,-0.3 2,-0.2 -0.892 23.2-133.4-157.0-175.3 17.9 32.9 46.7 135 137 A T - 0 0 0 -2,-0.3 34,-1.4 53,-0.2 55,-0.1 -0.781 47.6 -56.5-138.5-179.3 15.6 35.9 46.8 136 138 A L B -l 169 0F 43 53,-0.5 6,-0.2 -2,-0.2 34,-0.2 -0.371 51.8-120.0 -60.7 143.4 14.4 38.8 44.7 137 139 A D S S+ 0 0 80 32,-2.3 2,-0.3 1,-0.1 -1,-0.1 0.270 94.3 25.5 -76.3 15.6 17.3 40.9 43.5 138 140 A S S S+ 0 0 80 31,-0.1 2,-0.2 32,-0.0 3,-0.2 -0.917 86.7 62.0-171.6 148.4 15.9 43.9 45.3 139 141 A G S > S- 0 0 44 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.671 92.2 -51.3 123.9-178.7 13.6 44.7 48.2 140 142 A S H > S+ 0 0 31 -2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.731 126.5 61.6 -66.5 -22.8 13.3 44.2 52.0 141 143 A T H >> S+ 0 0 7 2,-0.2 4,-1.0 1,-0.2 3,-0.6 0.981 109.1 36.8 -68.8 -58.6 14.0 40.5 51.6 142 144 A K H 3> S+ 0 0 30 1,-0.2 4,-1.5 -6,-0.2 -1,-0.2 0.805 117.1 56.9 -61.9 -28.8 17.5 40.7 50.1 143 145 A E H 3X S+ 0 0 101 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.787 98.3 61.2 -72.1 -28.8 18.0 43.7 52.4 144 146 A F H << S+ 0 0 39 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.842 108.2 41.2 -68.2 -35.6 17.2 41.6 55.4 145 147 A F H >< S+ 0 0 1 -4,-1.0 3,-1.3 2,-0.2 12,-0.2 0.855 108.4 58.5 -82.6 -37.0 20.1 39.2 54.8 146 148 A R H 3< S+ 0 0 141 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.823 117.3 33.3 -63.0 -32.7 22.8 41.8 53.8 147 149 A R T 3< S+ 0 0 60 -4,-1.2 -1,-0.3 2,-0.0 2,-0.2 0.085 92.6 131.9-110.8 21.4 22.4 43.6 57.1 148 150 A S < - 0 0 13 -3,-1.3 -3,-0.1 1,-0.1 354,-0.1 -0.476 40.3-168.5 -80.1 146.1 21.7 40.6 59.3 149 151 A K + 0 0 188 -2,-0.2 2,-0.2 352,-0.1 -1,-0.1 0.494 59.7 103.9-106.2 -10.3 23.4 39.9 62.6 150 152 A I S > S- 0 0 96 1,-0.1 4,-2.0 2,-0.0 5,-0.2 -0.543 70.9-137.3 -72.1 137.3 22.1 36.4 62.9 151 153 A a H > S+ 0 0 100 -2,-0.2 4,-2.0 2,-0.2 5,-0.2 0.955 98.5 49.9 -63.7 -54.7 24.8 33.8 62.1 152 154 A V H > S+ 0 0 32 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.916 116.4 42.8 -49.3 -49.7 22.8 31.4 60.0 153 155 A F H > S+ 0 0 27 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.805 112.9 50.8 -71.3 -33.3 21.4 34.2 57.8 154 156 A D H X S+ 0 0 68 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.727 111.1 51.1 -74.7 -21.6 24.7 36.0 57.5 155 157 A K H X S+ 0 0 117 -4,-2.0 4,-1.3 -5,-0.2 -2,-0.2 0.802 110.4 48.8 -78.7 -33.7 26.0 32.6 56.5 156 158 A M H X S+ 0 0 0 -4,-1.7 4,-3.0 -5,-0.2 -2,-0.2 0.910 111.2 49.3 -69.1 -44.3 23.1 32.4 54.0 157 159 A W H X S+ 0 0 41 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.910 107.4 54.1 -61.6 -44.3 23.9 35.9 52.7 158 160 A T H X S+ 0 0 87 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.879 113.3 44.7 -56.7 -39.0 27.6 35.0 52.3 159 161 A Y H < S+ 0 0 54 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.956 115.6 44.6 -69.5 -53.1 26.5 32.1 50.2 160 162 A M H >< S+ 0 0 1 -4,-3.0 3,-0.7 1,-0.2 7,-0.3 0.949 109.5 54.4 -58.1 -55.0 23.9 33.9 48.1 161 163 A R H 3< S+ 0 0 52 -4,-2.8 2,-0.7 1,-0.3 -1,-0.2 0.876 117.2 37.5 -48.9 -46.4 26.1 37.0 47.3 162 164 A S T 3< S+ 0 0 109 -4,-1.1 2,-0.4 -5,-0.3 -1,-0.3 -0.654 90.9 120.5-110.1 74.3 28.9 34.9 46.0 163 165 A A < - 0 0 22 -3,-0.7 4,-0.2 -2,-0.7 -3,-0.0 -1.000 53.0-121.1-139.1 138.0 27.1 32.1 44.1 164 166 A E S S+ 0 0 174 -2,-0.4 2,-0.2 2,-0.1 -2,-0.0 -0.995 94.8 29.6-135.0 130.3 27.2 31.0 40.5 165 167 A P S S- 0 0 93 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.576 113.2 -98.4 -71.4 164.2 25.0 30.9 38.6 166 168 A S - 0 0 58 -2,-0.2 -2,-0.1 1,-0.1 -5,-0.1 -0.092 26.0-158.5 -50.3 143.7 23.1 33.7 40.3 167 169 A V + 0 0 3 -7,-0.3 2,-0.4 -4,-0.2 -1,-0.1 0.307 62.4 101.6-106.0 4.9 20.4 32.7 42.7 168 170 A F - 0 0 27 -34,-0.2 -32,-0.2 -8,-0.1 2,-0.2 -0.764 58.1-153.5 -96.0 135.6 18.6 36.0 42.5 169 171 A V B -l 136 0F 1 -34,-1.4 -32,-2.3 -2,-0.4 -31,-0.1 -0.619 16.6-136.6-104.4 164.9 15.5 36.4 40.4 170 172 A R S S+ 0 0 173 -2,-0.2 2,-0.3 -34,-0.2 -1,-0.1 0.787 84.2 20.4 -90.4 -31.8 14.0 39.5 38.7 171 173 A T S > S- 0 0 65 1,-0.1 4,-1.6 -35,-0.0 5,-0.1 -0.887 75.7-112.9-134.5 165.9 10.3 38.9 39.6 172 174 A T H > S+ 0 0 28 -2,-0.3 4,-2.2 1,-0.2 3,-0.4 0.947 118.9 49.4 -60.9 -50.6 8.2 37.0 42.1 173 175 A A H > S+ 0 0 38 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.866 106.7 57.2 -57.4 -37.9 6.8 34.8 39.4 174 176 A E H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.887 107.7 47.1 -61.5 -40.1 10.3 34.1 38.2 175 177 A G H X S+ 0 0 0 -4,-1.6 4,-1.5 -3,-0.4 -2,-0.2 0.900 112.6 48.7 -67.7 -42.3 11.3 32.8 41.6 176 178 A V H X S+ 0 0 9 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.905 111.3 50.7 -63.4 -42.7 8.2 30.7 41.9 177 179 A A H X S+ 0 0 3 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.929 106.0 54.3 -60.9 -47.6 8.9 29.2 38.4 178 180 A R H >X S+ 0 0 61 -4,-2.1 4,-1.4 1,-0.2 3,-0.5 0.858 108.0 51.2 -57.0 -36.9 12.5 28.4 39.2 179 181 A V H 3<>S+ 0 0 0 -4,-1.5 5,-0.8 1,-0.2 3,-0.3 0.914 109.3 49.3 -65.3 -43.4 11.3 26.4 42.2 180 182 A R H 3<5S+ 0 0 47 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.548 118.1 41.2 -74.3 -7.3 8.8 24.5 40.1 181 183 A K H <<5S+ 0 0 70 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.559 97.2 72.2-115.1 -15.0 11.5 23.7 37.6 182 184 A S T ><5S- 0 0 34 -4,-1.4 3,-1.3 -3,-0.3 -2,-0.1 0.372 98.1-125.6 -86.3 5.3 14.5 22.9 39.8 183 185 A K T 3 5S- 0 0 156 1,-0.3 -3,-0.1 -4,-0.2 -4,-0.1 0.811 75.9 -46.2 55.6 32.8 13.0 19.6 40.8 184 186 A G T 3 -I 109 0E 40 -2,-0.3 4,-2.0 -82,-0.2 3,-0.4 -0.318 47.9-133.8 -56.0 136.7 6.8 37.4 51.6 192 194 A S H > S+ 0 0 3 -84,-1.6 4,-2.8 1,-0.2 5,-0.3 0.897 102.7 61.3 -62.0 -42.2 4.8 34.8 53.6 193 195 A T H 4 S+ 0 0 0 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.857 110.5 40.7 -54.3 -38.8 1.5 36.2 52.3 194 196 A M H >> S+ 0 0 16 -3,-0.4 4,-2.4 2,-0.2 3,-0.6 0.858 112.5 55.9 -76.6 -37.1 2.5 35.4 48.7 195 197 A N H 3X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.879 108.5 46.4 -63.0 -40.0 4.1 32.0 49.8 196 198 A E H 3< S+ 0 0 30 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.540 111.7 54.1 -82.1 -7.1 0.8 30.8 51.4 197 199 A Y H X4 S+ 0 0 19 -3,-0.6 3,-2.0 -5,-0.3 -2,-0.2 0.868 106.4 47.9 -88.3 -46.8 -1.1 32.0 48.3 198 200 A I H >< S+ 0 0 24 -4,-2.4 3,-2.0 1,-0.3 6,-0.3 0.821 101.8 67.3 -60.3 -31.1 0.9 30.1 45.7 199 201 A E T 3< S+ 0 0 52 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.534 100.6 50.8 -66.7 -4.9 0.6 27.1 48.0 200 202 A Q T < S+ 0 0 31 -3,-2.0 58,-1.8 2,-0.1 2,-0.3 0.255 98.3 83.4-115.6 8.5 -3.1 27.3 47.1 201 203 A R S X S- 0 0 56 -3,-2.0 3,-1.8 56,-0.1 5,-0.2 -0.802 81.6 -49.8-114.9 156.0 -2.7 27.4 43.3 202 204 A K T 3 S+ 0 0 133 1,-0.4 -2,-0.1 -2,-0.3 -1,-0.1 -0.291 117.8 20.9 -60.6 148.8 -2.2 24.7 40.7 203 205 A P T 3 S- 0 0 86 0, 0.0 -1,-0.4 0, 0.0 0, 0.0 -0.958 84.2-147.3 -88.1 14.6 -0.4 22.4 40.4 204 206 A b < + 0 0 21 -3,-1.8 -2,-0.1 -6,-0.3 -5,-0.1 0.903 52.3 134.1 66.3 43.2 0.0 22.6 44.2 205 207 A D + 0 0 31 -4,-0.2 -90,-2.1 -91,-0.0 2,-0.3 0.255 53.1 70.9-107.2 10.4 3.6 21.4 44.0 206 208 A T E -J 114 0E 0 -92,-0.3 2,-0.3 -5,-0.2 -92,-0.2 -0.881 56.5-179.6-125.3 158.0 5.0 24.1 46.4 207 209 A M E -J 113 0E 61 -94,-2.4 -94,-2.2 -2,-0.3 2,-0.5 -0.991 28.9-110.9-154.1 158.8 4.7 24.7 50.1 208 210 A K E -J 112 0E 54 -2,-0.3 2,-0.4 -96,-0.2 -96,-0.2 -0.797 34.1-169.1 -93.9 130.2 5.7 27.0 52.9 209 211 A V E -J 111 0E 17 -98,-2.0 -98,-0.9 -2,-0.5 -89,-0.1 -0.935 43.6 -0.9-123.5 145.3 8.2 25.6 55.5 210 212 A G S S- 0 0 43 -2,-0.4 -89,-0.1 -100,-0.1 2,-0.1 -0.003 88.7 -63.2 73.0 177.3 9.3 27.0 58.9 211 213 A G - 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0 0 27 -4,-0.3 9,-0.0 1,-0.1 -3,-0.0 -0.424 36.6-173.8 -67.0 131.7 0.1 68.5 4.3 668 151 E K + 0 0 103 -2,-0.2 2,-0.5 5,-0.0 -1,-0.1 0.150 53.4 106.9-109.8 15.4 -0.8 70.9 1.5 669 152 E I > - 0 0 95 1,-0.1 4,-3.3 2,-0.0 3,-0.4 -0.861 68.7-138.9 -98.2 127.4 -4.3 69.5 0.9 670 153 E d H > S+ 0 0 103 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.808 100.1 55.2 -57.1 -37.6 -7.1 71.7 2.3 671 154 E V H > S+ 0 0 35 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.949 120.3 31.6 -59.4 -48.9 -9.1 68.8 3.7 672 155 E F H > S+ 0 0 31 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.759 119.3 55.0 -80.5 -26.9 -6.1 67.7 5.8 673 156 E D H X S+ 0 0 32 -4,-3.3 4,-1.2 2,-0.2 -3,-0.2 0.806 106.2 51.2 -75.6 -31.3 -4.8 71.2 6.2 674 157 E K H X S+ 0 0 119 -4,-2.5 4,-0.7 -5,-0.3 -1,-0.2 0.732 109.9 51.8 -75.9 -23.2 -8.1 72.4 7.6 675 158 E M H X S+ 0 0 0 -4,-0.6 4,-2.2 -5,-0.2 -2,-0.2 0.845 106.9 50.8 -80.1 -36.7 -8.0 69.5 10.1 676 159 E W H X S+ 0 0 25 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.813 104.7 58.4 -70.1 -30.3 -4.4 70.3 11.3 677 160 E T H X S+ 0 0 92 -4,-1.2 4,-0.9 2,-0.2 -1,-0.2 0.853 109.3 46.1 -64.3 -34.5 -5.6 73.9 11.8 678 161 E Y H < S+ 0 0 44 -4,-0.7 3,-0.3 2,-0.2 -2,-0.2 0.920 113.9 46.1 -71.2 -46.7 -8.2 72.5 14.2 679 162 E M H >< S+ 0 0 3 -4,-2.2 3,-0.7 1,-0.2 7,-0.4 0.800 103.3 64.3 -69.8 -30.1 -5.8 70.1 16.0 680 163 E R H 3< S+ 0 0 178 -4,-2.4 2,-0.2 1,-0.3 -1,-0.2 0.903 120.4 20.1 -58.0 -42.6 -3.1 72.9 16.4 681 164 E S T 3< S+ 0 0 98 -4,-0.9 2,-0.4 -3,-0.3 -1,-0.3 -0.610 85.4 136.7-132.9 73.7 -5.5 74.8 18.6 682 165 E A < - 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