==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-APR-02 1LM1 . COMPND 2 MOLECULE: FERREDOXIN-DEPENDENT GLUTAMATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP. PCC 6803; . AUTHOR R.H.VAN DEN HEUVEL,D.FERRARI,R.T.BOSSI,S.RAVASIO,B.CURTI,M.A . 1475 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48876.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1008 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 110 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 113 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 89 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 196 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 384 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 1.7 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 6 4 4 5 4 3 2 3 2 4 3 1 0 4 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 1 3 3 7 0 0 1 1 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 3 4 3 5 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 1 2 0 1 0 1 0 1 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 C 0 0 16 0, 0.0 2,-0.4 0, 0.0 205,-0.2 0.000 360.0 360.0 360.0 151.4 184.4 218.5 1.1 2 2 A G E +A 205 0A 0 203,-1.9 203,-3.0 224,-0.1 2,-0.3 -0.991 360.0 171.0-118.1 128.3 183.3 220.5 -2.0 3 3 A V E +A 204 0A 0 -2,-0.4 363,-2.0 201,-0.2 364,-0.3 -0.873 7.3 135.5-130.5 166.8 180.9 219.1 -4.5 4 4 A G E -AB 203 365A 0 199,-1.3 199,-1.7 -2,-0.3 2,-0.3 -0.937 31.3-130.0 176.0 172.7 178.9 220.2 -7.4 5 5 A F E -AB 202 364A 0 359,-1.2 359,-2.5 -2,-0.3 2,-0.4 -0.977 6.0-155.9-136.4 159.4 177.8 219.4 -11.0 6 6 A I E -AB 201 363A 0 195,-2.3 195,-0.8 -2,-0.3 2,-0.4 -0.999 15.0-173.2-127.9 138.1 177.7 221.1 -14.3 7 7 A A E -AB 200 362A 2 355,-1.8 355,-1.6 -2,-0.4 2,-0.5 -0.973 15.1-161.1-130.4 142.9 175.4 220.3 -17.2 8 8 A N + 0 0 25 191,-3.7 3,-0.2 -2,-0.4 353,-0.1 -0.987 19.5 161.5-119.9 120.8 175.0 221.3 -20.8 9 9 A L S S+ 0 0 11 -2,-0.5 2,-0.6 350,-0.3 -1,-0.1 0.829 70.9 49.3-101.5 -47.2 171.7 220.7 -22.3 10 10 A R S S+ 0 0 183 349,-0.6 2,-0.3 2,-0.0 -1,-0.1 -0.255 106.7 50.0 -96.8 46.6 171.6 222.9 -25.3 11 11 A G S S- 0 0 28 -2,-0.6 3,-0.1 -3,-0.2 -3,-0.1 -0.964 82.3-106.4-159.5 166.6 174.9 222.1 -26.9 12 12 A K - 0 0 159 -2,-0.3 186,-0.1 1,-0.2 -3,-0.0 -0.738 67.4 -59.1 -97.1 161.4 176.8 219.1 -27.9 13 13 A P + 0 0 57 0, 0.0 2,-0.2 0, 0.0 186,-0.2 0.028 61.8 177.7 -45.1 133.5 179.8 218.1 -25.8 14 14 A D B > -G 198 0B 46 184,-0.7 184,-1.4 -3,-0.1 4,-0.5 -0.741 37.4-124.5-126.9 178.3 182.6 220.7 -25.4 15 15 A H H > S+ 0 0 34 -2,-0.2 4,-2.9 182,-0.2 5,-0.2 0.733 99.0 75.6 -93.3 -24.2 185.9 220.9 -23.5 16 16 A T H > S+ 0 0 63 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.896 89.1 56.4 -60.9 -39.9 185.0 224.0 -21.8 17 17 A L H >> S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 3,-1.2 0.976 109.9 46.7 -52.0 -55.6 182.7 222.3 -19.4 18 18 A V H >X S+ 0 0 4 -4,-0.5 4,-2.3 1,-0.3 3,-0.9 0.936 111.4 51.9 -52.5 -48.6 185.5 220.1 -18.4 19 19 A E H 3X S+ 0 0 92 -4,-2.9 4,-1.5 1,-0.3 -1,-0.3 0.832 112.0 47.7 -49.8 -36.1 187.7 223.2 -18.1 20 20 A Q H < S+ 0 0 0 -4,-1.8 3,-1.4 1,-0.2 -1,-0.2 0.953 106.4 53.2 -52.8 -45.8 187.6 222.1 -7.9 26 26 A G H >< S+ 0 0 15 -4,-1.8 3,-1.8 155,-0.3 -2,-0.3 0.885 104.5 51.3 -54.0 -46.6 190.2 224.7 -7.5 27 27 A C H 3< S+ 0 0 21 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.550 106.3 57.4 -74.4 -8.6 187.6 227.2 -6.0 28 28 A M T X< S+ 0 0 0 -3,-1.4 3,-1.7 -4,-1.1 -1,-0.3 0.316 73.5 110.5 -90.1 1.8 186.7 224.3 -3.5 29 29 A E G X S+ 0 0 51 -3,-1.8 3,-1.4 1,-0.3 -1,-0.1 0.824 74.9 52.0 -52.0 -40.7 190.4 224.0 -2.3 30 30 A H G 3 S+ 0 0 35 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.724 101.1 62.9 -70.1 -24.7 189.6 225.4 1.2 31 31 A R G < S+ 0 0 4 -3,-1.7 -1,-0.3 -4,-0.1 2,-0.2 0.234 105.9 57.8 -77.0 11.0 186.7 222.8 1.6 32 32 A G S < S- 0 0 9 -3,-1.4 175,-0.3 -31,-0.1 2,-0.3 -0.595 74.3-128.6-133.8-174.5 189.4 220.1 1.4 33 33 A G - 0 0 7 173,-1.6 9,-2.0 -2,-0.2 10,-0.3 -0.831 5.6-143.3-140.8 169.2 192.6 218.9 3.1 34 34 A C B -H 41 0C 31 -2,-0.3 7,-0.2 7,-0.3 2,-0.2 -0.698 20.1-115.9-128.6-176.6 196.2 217.9 2.7 35 35 A S > - 0 0 2 5,-1.1 3,-5.1 -2,-0.2 4,-0.2 -0.494 53.7 -67.3-117.5-179.8 198.7 215.3 4.2 36 36 A A T 3 S+ 0 0 26 175,-0.8 176,-0.1 1,-0.3 -2,-0.0 0.857 134.4 61.6 -37.6 -54.1 201.9 215.4 6.2 37 37 A D T 3 S- 0 0 44 174,-0.2 -1,-0.3 1,-0.1 82,-0.1 0.611 96.9-140.7 -17.5 -43.7 203.3 216.9 2.9 38 38 A N S < S+ 0 0 105 -3,-5.1 -2,-0.1 2,-0.2 -1,-0.1 0.784 94.6 70.6 54.6 30.3 201.0 219.9 3.0 39 39 A D S S+ 0 0 60 -4,-0.2 141,-0.4 1,-0.2 2,-0.2 0.562 72.4 78.0-143.4 -45.7 200.9 219.0 -0.7 40 40 A S S S- 0 0 0 139,-0.1 -5,-1.1 77,-0.1 2,-0.2 -0.565 76.3-128.1 -78.1 144.4 199.0 215.8 -1.3 41 41 A G B -H 34 0C 0 137,-0.6 -7,-0.3 -2,-0.2 139,-0.2 -0.592 15.6-121.8 -96.9 152.3 195.3 216.2 -1.3 42 42 A D S S- 0 0 1 -9,-2.0 172,-0.2 164,-0.5 165,-0.2 0.545 86.6 -67.2 -67.2 -6.9 192.8 214.2 0.7 43 43 A G - 0 0 0 136,-0.6 163,-3.6 -10,-0.3 2,-0.3 -0.180 45.8-150.4 132.5 145.0 191.6 213.6 -2.8 44 44 A A E +CD 177 205A 0 133,-2.6 133,-3.1 161,-0.2 2,-0.3 -0.980 20.5 172.5-140.7 150.2 190.0 215.1 -5.9 45 45 A G E -CD 176 204A 0 159,-1.6 159,-1.8 -2,-0.3 2,-0.4 -0.989 17.0-160.4-154.1 155.6 187.7 213.6 -8.6 46 46 A V E -CD 175 203A 4 129,-2.0 129,-3.0 -2,-0.3 2,-0.5 -0.986 6.8-156.2-147.4 134.5 185.6 214.2 -11.6 47 47 A M E +CD 174 202A 0 155,-3.1 155,-2.3 -2,-0.4 2,-0.3 -0.954 26.3 158.3-105.3 129.1 182.9 212.3 -13.2 48 48 A T E -C 173 0A 2 125,-2.3 125,-3.3 -2,-0.5 153,-0.2 -0.906 44.5 -91.9-135.0 169.8 182.1 212.9 -16.9 49 49 A A E S-C 172 0A 17 -2,-0.3 123,-0.2 151,-0.3 122,-0.1 -0.266 70.3 -68.2 -65.0 168.5 180.5 211.1 -19.8 50 50 A I - 0 0 25 121,-0.8 2,-3.2 1,-0.1 3,-0.2 -0.472 40.4-132.9 -68.7 125.7 182.8 209.0 -21.9 51 51 A P > + 0 0 2 0, 0.0 4,-2.0 0, 0.0 5,-0.3 -0.361 38.4 173.9 -80.0 65.7 185.2 211.4 -23.8 52 52 A R T 4 + 0 0 156 -2,-3.2 4,-0.3 1,-0.3 144,-0.1 0.716 70.0 55.6 -59.5 -27.6 184.3 209.3 -26.8 53 53 A E T >4 S+ 0 0 116 142,-0.3 3,-3.0 -3,-0.2 4,-0.4 0.994 107.7 47.7 -59.5 -65.8 186.3 211.6 -29.1 54 54 A L T >> S+ 0 0 3 141,-1.4 3,-0.7 1,-0.3 4,-0.5 0.848 106.3 56.0 -50.2 -40.9 189.5 211.2 -27.1 55 55 A L H >X S+ 0 0 2 -4,-2.0 4,-1.3 1,-0.2 3,-0.6 0.703 89.2 85.2 -67.0 -11.5 189.2 207.5 -27.0 56 56 A A H X> S+ 0 0 30 -3,-3.0 4,-2.5 -5,-0.3 3,-0.9 0.939 82.3 54.1 -49.1 -58.1 189.1 207.8 -30.8 57 57 A Q H <> S+ 0 0 115 -3,-0.7 4,-2.4 -4,-0.4 -1,-0.2 0.752 101.4 61.5 -56.0 -30.2 192.8 207.8 -31.2 58 58 A W H S+ 0 0 2 -4,-1.3 5,-2.7 -3,-0.9 4,-0.6 0.947 115.6 57.1 -70.1 -50.6 191.0 202.6 -31.8 60 60 A N H ><5S+ 0 0 129 -4,-2.5 3,-3.6 1,-0.2 -2,-0.2 0.933 105.9 49.4 -39.7 -63.3 192.3 204.5 -34.7 61 61 A T H 3<5S+ 0 0 114 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.828 114.6 44.9 -55.4 -35.4 195.9 203.6 -33.7 62 62 A R H 3<5S- 0 0 125 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.438 110.6-125.0 -89.9 6.2 194.9 200.0 -33.4 63 63 A N T <<5 + 0 0 148 -3,-3.6 -3,-0.2 -4,-0.6 -2,-0.1 0.843 62.2 147.8 56.5 35.1 192.9 200.2 -36.7 64 64 A L < - 0 0 67 -5,-2.7 2,-0.3 -6,-0.1 -1,-0.2 -0.821 55.0-110.3-106.3 140.4 190.0 199.0 -34.7 65 65 A P - 0 0 106 0, 0.0 -1,-0.0 0, 0.0 -5,-0.0 -0.550 33.4-128.8 -69.0 126.7 186.3 199.9 -35.4 66 66 A M - 0 0 62 -2,-0.3 3,-0.1 1,-0.1 6,-0.0 -0.642 24.3-127.4 -79.4 132.0 185.0 202.1 -32.6 67 67 A P - 0 0 24 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 -0.320 34.4 -78.7 -77.3 162.1 181.6 200.8 -31.1 68 68 A D >> - 0 0 106 3,-0.1 3,-3.1 4,-0.1 4,-1.2 -0.167 45.6-104.6 -52.6 148.5 178.4 202.9 -30.6 69 69 A G G >4 S+ 0 0 34 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.897 122.6 46.7 -37.8 -66.1 178.2 205.3 -27.7 70 70 A D G 34 S+ 0 0 95 1,-0.2 71,-1.5 2,-0.1 -1,-0.3 0.467 115.6 46.9 -52.3 -11.4 175.8 203.0 -25.9 71 71 A R G <4 S+ 0 0 89 -3,-3.1 64,-0.4 69,-0.2 -1,-0.2 0.492 93.7 71.2-123.5 -4.2 178.0 199.9 -26.5 72 72 A L << + 0 0 5 -4,-1.2 61,-0.3 -3,-1.2 98,-0.1 0.864 62.9 174.3 -77.9 -93.5 181.6 200.9 -25.7 73 73 A G - 0 0 0 -4,-0.3 60,-2.0 97,-0.3 2,-0.4 0.471 16.0-140.9 83.8 126.9 182.0 201.2 -22.0 74 74 A V E -IJ 132 169D 0 95,-2.7 95,-1.8 98,-0.2 2,-0.5 -0.938 7.7-149.1-138.1 127.4 185.1 201.9 -20.1 75 75 A G E -IJ 131 168D 0 56,-2.9 56,-1.9 -2,-0.4 2,-0.8 -0.919 7.8-155.6 -95.4 125.3 186.7 200.8 -16.9 76 76 A M E -IJ 130 167D 0 91,-2.5 90,-3.1 -2,-0.5 91,-0.9 -0.928 29.8-172.8 -85.7 108.3 189.0 203.3 -15.1 77 77 A V E -IJ 129 165D 0 52,-2.4 52,-1.8 -2,-0.8 2,-0.4 -0.868 25.9-150.1-108.8 140.5 191.1 200.8 -13.2 78 78 A F E -IJ 128 164D 0 86,-2.3 86,-1.5 -2,-0.4 50,-0.2 -0.930 29.8-178.3 -93.1 128.7 193.8 201.4 -10.5 79 79 A L E -I 127 0D 0 48,-3.6 48,-3.2 -2,-0.4 84,-0.2 -0.871 33.0 -84.7-133.2 157.9 196.4 198.5 -10.7 80 80 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 9,-0.0 -0.293 29.3-139.5 -62.6 150.5 199.6 197.5 -8.8 81 81 A Q S S+ 0 0 78 44,-0.1 5,-0.1 4,-0.1 47,-0.0 0.790 78.8 92.3 -78.9 -34.1 202.8 199.3 -9.9 82 82 A E S > S- 0 0 99 1,-0.1 4,-2.4 3,-0.1 5,-0.2 -0.488 78.9-134.9 -65.9 120.7 204.9 196.2 -9.6 83 83 A P H > S+ 0 0 86 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.869 99.2 47.8 -48.6 -49.9 204.9 194.5 -13.1 84 84 A S H > S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.967 119.0 43.0 -59.6 -44.9 204.4 190.9 -12.2 85 85 A A H > S+ 0 0 30 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.754 105.4 61.2 -69.5 -31.9 201.5 192.0 -9.9 86 86 A R H X S+ 0 0 43 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.941 108.9 45.1 -59.0 -45.8 200.0 194.5 -12.3 87 87 A E H X S+ 0 0 91 -4,-1.9 4,-3.2 2,-0.3 5,-0.4 0.926 106.7 55.9 -68.3 -47.7 199.5 191.6 -14.8 88 88 A V H X S+ 0 0 105 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.957 115.4 42.8 -39.1 -51.7 198.0 189.2 -12.1 89 89 A A H X S+ 0 0 9 -4,-2.2 4,-1.8 2,-0.2 -2,-0.3 0.828 114.6 47.9 -67.0 -38.4 195.6 192.2 -11.6 90 90 A R H X S+ 0 0 27 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.919 108.7 53.2 -69.6 -42.4 195.0 192.9 -15.3 91 91 A A H X S+ 0 0 53 -4,-3.2 4,-3.1 1,-0.2 -2,-0.2 0.875 110.1 51.5 -63.5 -36.1 194.4 189.3 -16.2 92 92 A Y H X S+ 0 0 50 -4,-1.6 4,-2.3 -5,-0.4 5,-0.3 0.874 104.4 52.2 -68.2 -43.6 191.8 189.2 -13.4 93 93 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.989 117.8 41.5 -53.9 -48.3 189.8 192.3 -14.5 94 94 A E H X S+ 0 0 43 -4,-2.1 4,-3.3 1,-0.2 -2,-0.2 0.902 109.0 59.0 -64.3 -48.1 189.6 190.6 -17.9 95 95 A E H X S+ 0 0 86 -4,-3.1 4,-0.5 1,-0.2 -1,-0.2 0.889 114.2 37.0 -45.6 -50.9 189.0 187.2 -16.4 96 96 A V H X S+ 0 0 5 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.729 114.1 54.5 -81.9 -23.8 185.8 188.4 -14.7 97 97 A V H ><>S+ 0 0 0 -4,-2.1 5,-1.1 -5,-0.3 3,-0.6 0.883 108.3 51.4 -71.0 -37.8 184.8 190.7 -17.5 98 98 A R H 3<5S+ 0 0 133 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.776 96.6 70.9 -62.5 -26.0 185.1 187.7 -19.7 99 99 A L H 3<5S+ 0 0 119 -4,-0.5 2,-0.3 -5,-0.2 -1,-0.2 0.756 95.5 53.9 -75.3 -27.9 182.8 185.9 -17.2 100 100 A E T <<5S- 0 0 29 -4,-0.8 2,-2.1 -3,-0.6 47,-0.0 -0.693 120.5 -96.1 -79.5 159.3 179.8 188.0 -18.3 101 101 A K T 5S+ 0 0 160 -2,-0.3 36,-0.4 34,-0.0 2,-0.2 -0.132 83.8 128.0 -84.9 49.0 179.7 187.4 -22.0 102 102 A L < - 0 0 8 -2,-2.1 2,-0.3 -5,-1.1 33,-0.2 -0.680 49.9-134.6 -98.5 155.6 181.7 190.6 -22.8 103 103 A T E -K 134 0D 61 31,-3.0 31,-1.8 -2,-0.2 2,-0.5 -0.818 9.9-133.9-107.2 150.7 184.8 191.1 -25.0 104 104 A V E -K 133 0D 33 -2,-0.3 29,-0.2 29,-0.2 3,-0.1 -0.904 15.4-176.0-102.2 127.4 187.9 193.1 -24.2 105 105 A L E - 0 0 48 27,-2.4 2,-0.4 -2,-0.5 28,-0.2 0.531 57.6-105.3 -95.7 -11.6 189.3 195.3 -27.0 106 106 A G E -K 132 0D 16 26,-1.2 26,-2.4 -3,-0.1 -1,-0.4 -0.911 40.0 -55.5 130.8-146.4 192.1 196.1 -24.8 107 107 A W E -K 131 0D 27 -2,-0.4 2,-0.6 24,-0.3 24,-0.2 -0.970 22.7-148.5-147.6 142.3 193.6 198.7 -22.6 108 108 A R E -K 130 0D 25 22,-3.7 22,-3.1 -2,-0.3 2,-0.3 -0.972 20.3-136.4-117.2 118.5 194.6 202.3 -22.7 109 109 A E E -K 129 0D 122 -2,-0.6 20,-0.2 20,-0.2 18,-0.0 -0.608 28.4-125.3 -65.0 135.9 197.4 203.5 -20.5 110 110 A V - 0 0 5 18,-1.8 18,-0.2 -2,-0.3 -1,-0.1 -0.765 19.1-123.5 -95.4 110.5 196.2 206.7 -19.0 111 111 A P + 0 0 57 0, 0.0 78,-1.9 0, 0.0 79,-0.6 -0.251 46.2 161.2 -52.8 127.0 198.7 209.6 -19.7 112 112 A V B -L 188 0E 44 76,-0.2 2,-0.5 77,-0.1 76,-0.2 -0.945 39.6-138.3-148.6 158.9 199.6 211.1 -16.3 113 113 A N > - 0 0 59 74,-1.5 3,-1.4 -2,-0.3 4,-0.3 -0.914 14.6-175.8-127.3 94.3 202.4 213.2 -14.9 114 114 A S G > S+ 0 0 37 -2,-0.5 3,-1.4 1,-0.3 -1,-0.1 0.717 72.1 84.9 -65.8 -24.6 203.5 211.8 -11.5 115 115 A D G 3 S+ 0 0 129 1,-0.3 -1,-0.3 72,-0.1 72,-0.1 0.602 87.2 50.1 -49.9 -18.3 205.8 214.7 -11.2 116 116 A V G < S+ 0 0 45 -3,-1.4 -1,-0.3 70,-0.1 -2,-0.2 0.634 85.6 104.2-102.7 -12.3 203.1 216.9 -9.8 117 117 A L S < S- 0 0 10 -3,-1.4 -77,-0.1 -4,-0.3 62,-0.1 -0.351 79.9-113.3 -57.7 142.4 201.9 214.5 -7.2 118 118 A G > - 0 0 4 60,-0.4 4,-2.9 -79,-0.2 5,-0.3 -0.410 38.0 -96.9 -67.4 163.3 203.1 215.4 -3.7 119 119 A I H > S+ 0 0 113 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.898 121.8 46.6 -55.0 -45.1 205.5 213.0 -2.2 120 120 A Q H 4 S+ 0 0 39 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.957 116.8 44.3 -63.0 -48.1 203.1 210.9 -0.1 121 121 A A H >> S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 3,-1.0 0.840 113.5 51.2 -60.1 -40.4 200.5 210.6 -3.1 122 122 A K H 3< S+ 0 0 85 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.819 105.4 55.7 -66.7 -31.6 203.3 209.8 -5.5 123 123 A N T 3< S+ 0 0 125 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.519 117.6 35.8 -74.6 1.1 204.7 207.1 -3.3 124 124 A N T <4 S+ 0 0 40 -3,-1.0 -1,-0.2 -4,-0.2 91,-0.2 0.351 81.1 133.3-150.3 -23.7 201.4 205.5 -3.3 125 125 A Q < - 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0 0 111 4,-0.4 3,-0.6 -5,-0.2 -5,-0.1 -0.983 41.5-127.8-138.3 139.9 175.6 210.7 51.6 771 790 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.902 109.8 43.8 -54.0 -43.6 177.4 209.2 54.6 772 791 A G T 3 S+ 0 0 54 -3,-0.1 -3,-0.0 -9,-0.0 -8,-0.0 0.719 110.5 50.8 -67.1 -23.2 176.0 205.7 53.7 773 792 A G S < S- 0 0 13 -3,-0.6 -9,-0.1 1,-0.2 -4,-0.0 0.049 87.1 -15.6-125.2-160.6 176.5 205.6 49.9 774 793 A E - 0 0 4 1,-0.1 -4,-0.4 -6,-0.1 -1,-0.2 -0.044 67.4-107.8 -47.5 140.2 178.5 205.8 46.7 775 794 A Y - 0 0 39 -6,-0.1 2,-0.2 -11,-0.0 3,-0.1 0.019 30.1-160.9 -56.9 173.2 181.8 207.7 46.9 776 795 A H - 0 0 3 -312,-0.1 -312,-0.2 1,-0.1 -313,-0.1 -0.847 24.5-137.2-161.1 121.2 182.2 211.3 45.3 777 796 A M S S+ 0 0 9 -314,-2.1 2,-0.4 -2,-0.2 -1,-0.1 0.891 99.3 38.6 -53.1 -36.7 185.5 213.0 44.5 778 797 A N + 0 0 6 -315,-0.1 -9,-0.2 -3,-0.1 -1,-0.1 -0.953 66.9 157.8-120.4 147.0 183.8 216.1 46.0 779 798 A S > - 0 0 8 -2,-0.4 4,-2.1 -11,-0.1 5,-0.2 -0.947 50.2-101.6-157.8 154.2 181.6 216.4 49.1 780 799 A P H > S+ 0 0 35 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.828 115.9 46.1 -60.3 -37.0 180.7 219.3 51.4 781 800 A E H >> S+ 0 0 53 2,-0.2 4,-1.8 1,-0.2 3,-0.5 0.980 112.6 49.1 -74.9 -52.5 182.9 218.4 54.4 782 801 A M H 3> S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.868 114.1 48.6 -41.3 -45.1 186.1 217.6 52.3 783 802 A S H 3X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.743 104.0 56.7 -81.5 -26.2 185.6 220.9 50.5 784 803 A K H X S+ 0 0 2 -4,-2.4 3,-1.2 2,-0.2 4,-1.1 1.000 109.5 42.2 -56.6 -67.5 193.5 225.4 54.2 790 809 A V H 3< S+ 0 0 1 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.787 105.2 64.6 -49.7 -38.9 193.9 228.0 51.3 791 810 A A H 3< S+ 0 0 58 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.874 105.2 47.3 -58.3 -41.4 192.5 230.8 53.4 792 811 A A H << 0 0 78 -4,-1.3 -2,-0.2 -3,-1.2 -1,-0.2 0.996 360.0 360.0 -60.7 -65.6 195.5 230.5 55.8 793 812 A Y < 0 0 221 -4,-1.1 -3,-0.2 347,-0.1 -2,-0.1 0.331 360.0 360.0 163.3 360.0 198.5 230.4 53.5 794 ! 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 0.0 795 824 A Y > 0 0 218 0, 0.0 4,-0.8 0, 0.0 -6,-0.1 0.000 360.0 360.0 360.0 -61.3 197.8 223.0 56.9 796 825 A D H > + 0 0 125 2,-0.2 4,-1.7 1,-0.2 -7,-0.1 0.614 360.0 66.5 -72.0 -15.4 196.0 220.6 59.2 797 826 A H H > S+ 0 0 66 2,-0.2 4,-3.1 1,-0.2 6,-0.3 0.941 91.6 54.6 -76.0 -45.8 193.2 220.7 56.7 798 827 A Y H > S+ 0 0 18 2,-0.3 4,-2.3 1,-0.3 5,-0.6 0.884 103.9 57.6 -54.9 -38.6 195.0 218.9 53.9 799 828 A E H X S+ 0 0 101 -4,-0.8 4,-2.5 3,-0.2 -1,-0.3 0.986 118.1 34.5 -49.4 -57.1 195.7 216.2 56.4 800 829 A L H >X S+ 0 0 63 -4,-1.7 4,-1.5 2,-0.2 3,-1.2 0.987 126.1 38.8 -50.1 -83.8 191.8 216.3 56.6 801 830 A Y H 3X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.3 5,-0.3 0.874 118.9 49.0 -35.4 -65.9 191.3 217.1 52.9 802 831 A R H 3X S+ 0 0 114 -4,-2.3 4,-0.8 1,-0.2 -1,-0.3 0.835 109.6 56.2 -45.9 -39.0 194.1 214.7 51.9 803 832 A Q H XX S+ 0 0 73 -4,-2.5 3,-3.7 -3,-1.2 4,-1.5 0.988 104.2 48.0 -52.2 -67.9 192.5 212.2 54.2 804 833 A Y H 3X S+ 0 0 81 -4,-1.5 4,-0.6 1,-0.3 -2,-0.2 0.883 110.6 56.4 -39.2 -47.7 189.0 212.2 52.4 805 834 A L H 3< S+ 0 0 29 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.711 107.7 47.9 -53.3 -31.1 191.2 211.9 49.4 806 835 A K H << S+ 0 0 134 -3,-3.7 -2,-0.2 -4,-0.8 -1,-0.2 0.970 103.0 55.8 -77.9 -59.0 192.7 208.7 50.9 807 836 A D H < S+ 0 0 139 -4,-1.5 -2,-0.2 2,-0.0 -1,-0.2 0.552 86.0 120.1 -54.0 -8.2 189.5 206.8 52.0 808 837 A R < - 0 0 50 -4,-0.6 3,-0.1 -5,-0.4 2,-0.1 -0.415 57.1-145.3 -57.4 128.0 188.6 207.2 48.3 809 838 A P - 0 0 35 0, 0.0 -1,-0.1 0, 0.0 -339,-0.1 -0.290 46.8 -55.7 -75.2 173.3 188.0 203.9 46.5 810 839 A V S S+ 0 0 17 1,-0.2 -339,-0.1 -341,-0.1 3,-0.1 -0.301 70.9 152.1 -35.5 125.4 188.8 203.3 42.9 811 840 A T + 0 0 5 1,-0.5 -345,-1.3 -346,-0.1 2,-0.2 0.558 53.1 27.5-136.6 -55.4 186.9 206.0 40.9 812 841 A A S > S- 0 0 10 -347,-0.2 3,-0.6 -343,-0.1 -1,-0.5 -0.537 84.1-103.4-105.4 178.8 188.5 206.9 37.6 813 842 A L G > S+ 0 0 1 1,-0.2 3,-2.3 -2,-0.2 4,-0.4 0.864 116.1 67.0 -72.3 -35.1 190.7 204.9 35.3 814 843 A R G > S+ 0 0 0 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.748 88.4 71.0 -55.8 -19.2 193.9 206.7 36.4 815 844 A D G < S+ 0 0 7 -3,-0.6 -1,-0.3 1,-0.3 365,-0.2 0.666 90.1 58.5 -76.3 -13.9 193.3 205.0 39.8 816 845 A L G < S+ 0 0 11 -3,-2.3 361,-3.3 -4,-0.1 2,-0.3 0.596 100.1 77.8 -83.1 -9.7 194.2 201.6 38.4 817 846 A L E < +C 1176 0O 0 -3,-1.3 359,-0.2 -4,-0.4 2,-0.2 -0.793 52.7 174.6-112.5 141.8 197.6 203.0 37.4 818 847 A D E -C 1175 0O 63 357,-2.2 357,-1.4 -2,-0.3 2,-0.3 -0.587 34.4 -85.6-126.0-168.2 200.7 203.7 39.3 819 848 A F E -C 1174 0O 15 355,-0.2 355,-0.2 -2,-0.2 2,-0.1 -0.738 19.7-168.1-108.0 158.0 204.2 204.8 38.4 820 849 A N - 0 0 81 353,-3.5 354,-0.1 -2,-0.3 339,-0.0 -0.576 21.4-152.2-140.2 72.1 207.2 203.0 37.3 821 850 A A - 0 0 34 1,-0.1 339,-0.1 -2,-0.1 338,-0.1 -0.035 9.0-161.9 -44.4 140.4 210.1 205.4 37.4 822 851 A D S S+ 0 0 71 337,-0.4 -1,-0.1 2,-0.1 338,-0.1 -0.054 71.6 45.5-113.5 26.9 212.9 204.7 35.0 823 852 A Q S S- 0 0 92 336,-0.3 338,-0.1 335,-0.2 3,-0.1 -0.980 94.7 -78.7-160.8 167.0 215.5 206.8 36.8 824 853 A P - 0 0 96 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.370 56.2 -97.6 -72.7 153.1 216.8 207.6 40.3 825 854 A A - 0 0 72 1,-0.1 2,-0.2 -4,-0.1 333,-0.2 -0.198 47.9-143.9 -59.4 162.3 214.8 209.9 42.5 826 855 A I - 0 0 53 331,-1.7 2,-0.3 328,-0.1 335,-0.1 -0.773 17.0 -84.3-135.7 170.9 215.9 213.5 42.5 827 856 A S >> - 0 0 61 -2,-0.2 3,-2.7 1,-0.1 4,-1.0 -0.637 30.4-135.1 -81.0 131.7 216.4 216.6 44.6 828 857 A L T 34 S+ 0 0 72 -2,-0.3 -1,-0.1 1,-0.3 328,-0.1 0.756 107.1 61.1 -56.2 -27.1 213.2 218.8 45.0 829 858 A E T 34 S+ 0 0 180 1,-0.2 -1,-0.3 4,-0.0 4,-0.1 0.540 97.7 57.2 -74.7 -16.9 215.5 221.8 44.3 830 859 A E T <4 S+ 0 0 83 -3,-2.7 -1,-0.2 2,-0.1 -2,-0.2 0.867 89.5 92.6 -76.9 -40.4 216.4 220.4 40.9 831 860 A V S < S- 0 0 6 -4,-1.0 332,-0.2 1,-0.1 331,-0.1 -0.101 91.1 -93.0 -61.3 147.3 212.7 220.3 39.8 832 861 A E - 0 0 31 330,-2.8 -1,-0.1 1,-0.1 2,-0.1 -0.179 54.5 -87.9 -62.5 157.6 211.3 223.3 38.0 833 862 A S >> - 0 0 48 1,-0.1 3,-1.8 -3,-0.1 4,-1.4 -0.353 23.0-116.2 -77.5 145.5 209.6 226.0 40.1 834 863 A V H 3> S+ 0 0 24 1,-0.3 4,-2.2 2,-0.2 3,-0.2 0.812 117.6 59.9 -25.5 -47.6 206.1 226.2 41.2 835 864 A E H 3> S+ 0 0 123 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.829 105.2 49.0 -63.5 -31.5 205.9 229.4 39.1 836 865 A S H <4 S+ 0 0 50 -3,-1.8 4,-0.3 2,-0.2 -1,-0.2 0.768 111.4 46.0 -79.7 -33.2 206.7 227.4 36.0 837 866 A I H >< S+ 0 0 0 -4,-1.4 3,-2.7 1,-0.2 4,-0.3 0.927 104.3 63.2 -73.0 -45.5 204.2 224.6 36.6 838 867 A V H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.747 88.7 69.8 -48.8 -29.9 201.4 227.1 37.3 839 868 A K T 3< S+ 0 0 139 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.808 94.5 57.4 -64.8 -26.9 201.7 228.4 33.7 840 869 A R T < S+ 0 0 45 -3,-2.7 256,-2.0 -4,-0.3 -1,-0.3 0.546 90.0 100.5 -76.5 -7.5 200.3 225.2 32.6 841 870 A F E < -d 1096 0P 0 -3,-1.8 28,-1.2 -4,-0.3 2,-0.3 -0.534 47.6-176.4 -89.1 153.9 197.1 225.7 34.7 842 871 A C E -de1097 869P 3 254,-1.6 256,-2.9 -2,-0.2 28,-0.2 -0.996 23.6-144.0-147.5 144.3 193.8 226.9 33.5 843 872 A T - 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0 0 5 5,-0.4 3,-0.6 -6,-0.3 8,-0.0 -0.092 34.5-151.3 -42.7 127.6 174.2 229.0 46.3 1120 1149 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.2 0, 0.0 -12,-0.0 0.443 89.7 56.4 -71.0 0.5 174.6 229.8 50.0 1121 1150 A V T 3 S- 0 0 31 13,-0.1 14,-0.4 11,-0.0 -2,-0.1 0.503 110.1-110.6-130.6 0.6 178.0 230.8 49.3 1122 1151 A G S < S+ 0 0 0 -3,-0.6 -267,-0.4 12,-0.1 -268,-0.2 0.478 88.4 102.6 93.2 9.1 177.8 233.5 46.6 1123 1152 A V S S+ 0 0 1 1,-0.2 -271,-5.0 -16,-0.1 -268,-0.3 0.968 83.9 22.8 -94.1 -66.3 179.4 231.4 43.9 1124 1153 A A S S+ 0 0 3 -273,-0.3 -7,-0.4 -269,-0.1 -5,-0.4 -0.235 107.3 88.2 -99.0 39.9 176.8 230.1 41.5 1125 1154 A T - 0 0 0 -7,-0.1 -272,-0.1 -3,-0.1 -7,-0.1 -0.957 57.1-156.2-127.5 163.2 174.0 232.7 42.1 1126 1155 A Q + 0 0 11 -2,-0.3 2,-0.1 -274,-0.1 -1,-0.1 0.591 59.9 119.5-101.4 -13.5 173.1 236.0 40.8 1127 1156 A Q > - 0 0 56 -10,-0.4 4,-3.1 1,-0.1 5,-0.2 -0.267 58.7-146.8 -59.9 124.4 171.2 236.9 44.0 1128 1157 A E H > S+ 0 0 137 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.957 97.9 55.5 -54.1 -52.6 172.7 240.0 45.6 1129 1158 A R H 4 S+ 0 0 134 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.896 114.2 39.8 -45.2 -50.5 171.9 238.8 49.0 1130 1159 A L H >4 S+ 0 0 9 1,-0.2 3,-1.8 2,-0.2 -1,-0.2 0.897 111.3 57.1 -72.9 -40.8 173.8 235.5 48.4 1131 1160 A R H >< S+ 0 0 39 -4,-3.1 3,-3.1 1,-0.3 -1,-0.2 0.918 98.1 61.0 -54.7 -46.9 176.6 237.2 46.5 1132 1161 A Q T 3< S+ 0 0 156 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.686 97.6 61.4 -53.7 -21.6 177.4 239.4 49.4 1133 1162 A R T < S+ 0 0 135 -3,-1.8 2,-0.9 -4,-0.4 -1,-0.3 0.458 74.0 123.0 -83.5 -3.6 178.1 236.2 51.3 1134 1163 A F < - 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0 0 114 -451,-0.2 2,-0.3 -6,-0.1 -1,-0.2 -0.823 53.8-114.8-152.5-176.9 190.7 193.1 36.0 1188 1217 A L - 0 0 15 -2,-0.3 2,-0.4 -3,-0.1 -453,-0.2 -0.989 27.8-115.1-134.9 140.9 190.6 195.4 33.1 1189 1218 A T + 0 0 73 -455,-1.8 3,-0.2 -454,-0.9 -2,-0.0 -0.608 29.3 178.8 -75.2 128.3 192.7 195.7 29.9 1190 1219 A L >> + 0 0 5 -2,-0.4 3,-1.9 1,-0.1 4,-1.8 0.130 44.8 116.0-119.1 20.8 194.6 198.9 29.9 1191 1220 A D H 3> S+ 0 0 92 1,-0.3 4,-2.8 2,-0.2 3,-0.4 0.919 71.9 67.1 -48.6 -40.7 196.5 198.5 26.6 1192 1221 A C H 34 S+ 0 0 18 -459,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.686 111.0 29.5 -63.8 -19.4 194.5 201.5 25.5 1193 1222 A L H <4 S+ 0 0 0 -3,-1.9 -1,-0.3 -137,-0.1 -2,-0.2 0.603 123.2 47.7-107.5 -15.9 196.3 203.8 28.0 1194 1223 A L H < S+ 0 0 44 -4,-1.8 2,-1.4 -3,-0.4 -2,-0.2 0.858 95.1 74.3 -91.6 -36.5 199.7 202.1 28.2 1195 1224 A N < + 0 0 96 -4,-2.8 -1,-0.2 -5,-0.2 3,-0.0 -0.631 63.8 134.8 -89.2 85.7 200.4 201.5 24.5 1196 1225 A L - 0 0 25 -2,-1.4 3,-0.1 -3,-0.1 -136,-0.0 -0.827 67.5 -66.7-125.8 163.1 201.3 204.9 23.0 1197 1226 A P - 0 0 29 0, 0.0 -26,-0.2 0, 0.0 -1,-0.1 -0.316 64.4-104.1 -47.4 124.6 204.1 206.1 20.7 1198 1227 A D - 0 0 91 1,-0.1 4,-0.3 -28,-0.1 3,-0.2 -0.333 38.6-170.9 -53.2 125.9 207.4 205.6 22.7 1199 1228 A T + 0 0 1 -30,-0.2 -1,-0.1 1,-0.1 -29,-0.1 0.517 49.3 110.1-102.7 -0.3 208.3 209.1 23.7 1200 1229 A K S S+ 0 0 102 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 0.814 100.4 4.3 -38.2 -52.2 211.9 208.7 25.1 1201 1230 A Q S S+ 0 0 169 -3,-0.2 2,-1.1 1,-0.1 -1,-0.2 0.785 113.0 77.0-112.3 -40.2 213.6 210.5 22.3 1202 1231 A N + 0 0 126 -4,-0.3 -1,-0.1 1,-0.2 0, 0.0 -0.595 47.7 135.4 -72.9 104.2 211.0 212.0 19.9 1203 1232 A R > + 0 0 48 -2,-1.1 3,-1.1 -3,-0.1 -1,-0.2 -0.009 32.9 107.2-128.6 25.2 209.8 215.0 21.8 1204 1233 A Q G > + 0 0 161 1,-0.3 3,-2.6 2,-0.2 -2,-0.1 0.863 66.2 72.1 -71.8 -32.0 209.8 217.5 18.9 1205 1234 A W G 3 S+ 0 0 17 1,-0.3 -1,-0.3 3,-0.0 -134,-0.2 0.622 81.6 74.8 -54.3 -14.7 206.1 217.5 18.8 1206 1235 A L G < S+ 0 0 11 -3,-1.1 2,-0.7 1,-0.1 -1,-0.3 0.529 80.4 81.5 -82.3 -3.3 206.2 219.4 22.1 1207 1236 A N < - 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