==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-MAY-99 1GCE . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER CLOACAE; . AUTHOR G.V.CRICHLOW,A.P.KUZIN,M.NUKAGA,T.SAWAI,J.R.KNOX . 361 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15387.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 18.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 5 1.4 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 . 18 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 1 1 1 0 2 1 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 5 3 1 0 2 1 1 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 0 0 0 0 0 1 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 T 0 0 125 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 103.4 36.8 3.5 34.2 2 2 A P - 0 0 113 0, 0.0 2,-0.4 0, 0.0 359,-0.1 -0.616 360.0-167.2 -74.5 104.1 33.6 2.3 36.1 3 3 A V - 0 0 18 -2,-0.8 2,-0.1 358,-0.1 358,-0.0 -0.788 14.5-130.8 -94.5 135.3 31.5 5.4 36.7 4 4 A S > - 0 0 53 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.347 25.0-106.6 -78.6 168.1 28.6 5.2 39.1 5 5 A E H > S+ 0 0 106 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.888 122.9 51.9 -60.7 -39.5 25.1 6.4 38.4 6 6 A K H > S+ 0 0 157 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.925 111.1 45.0 -64.4 -46.7 25.8 9.3 40.8 7 7 A Q H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.875 111.1 54.3 -66.3 -37.1 29.0 10.3 39.0 8 8 A L H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.909 105.9 52.4 -62.8 -42.4 27.3 10.0 35.6 9 9 A A H X S+ 0 0 38 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.894 111.4 47.4 -60.5 -40.2 24.6 12.3 36.6 10 10 A E H X S+ 0 0 109 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.887 108.2 54.1 -68.1 -42.3 27.2 14.9 37.7 11 11 A V H X S+ 0 0 31 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.911 112.7 44.1 -58.3 -44.1 29.2 14.5 34.5 12 12 A V H >X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 3,-1.1 0.966 114.9 46.9 -66.7 -51.9 26.1 15.3 32.4 13 13 A A H 3X S+ 0 0 31 -4,-2.2 4,-2.1 1,-0.3 -2,-0.2 0.886 110.2 52.9 -58.6 -42.6 24.9 18.2 34.5 14 14 A N H 3< S+ 0 0 117 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.657 117.6 38.1 -69.8 -16.1 28.3 19.9 34.7 15 15 A T H S+ 0 0 67 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.884 114.4 54.7 -66.5 -34.2 27.1 25.8 31.1 19 19 A L H X S+ 0 0 21 -4,-1.3 4,-2.4 1,-0.2 6,-0.2 0.933 107.6 48.5 -62.1 -47.8 26.4 24.8 27.5 20 20 A M H <>S+ 0 0 20 -4,-2.6 5,-2.0 1,-0.2 4,-0.4 0.863 113.3 47.2 -62.6 -37.5 22.8 25.8 27.7 21 21 A K H ><5S+ 0 0 167 -4,-1.8 3,-0.5 -5,-0.2 -1,-0.2 0.908 114.2 46.3 -71.9 -40.1 23.6 29.2 29.3 22 22 A A H 3<5S+ 0 0 71 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.853 121.3 37.7 -69.8 -34.6 26.3 30.0 26.8 23 23 A Q T 3<5S- 0 0 66 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.305 106.1-123.1-100.6 7.9 24.2 29.1 23.9 24 24 A S T < 5 + 0 0 98 -3,-0.5 -3,-0.2 -4,-0.4 -4,-0.1 0.833 45.1 175.5 53.5 39.8 20.9 30.4 25.2 25 25 A V < - 0 0 11 -5,-2.0 -1,-0.2 -6,-0.2 3,-0.1 -0.630 23.8-156.9 -79.9 121.7 19.2 27.0 24.9 26 26 A P S S- 0 0 24 0, 0.0 19,-2.2 0, 0.0 2,-0.3 0.924 70.1 -7.5 -63.6 -46.4 15.6 27.0 26.4 27 27 A G E -A 44 0A 0 17,-0.3 315,-1.5 19,-0.1 2,-0.3 -0.993 58.1-168.5-152.5 157.0 15.5 23.2 27.0 28 28 A M E -AB 43 341A 0 15,-2.7 15,-3.2 -2,-0.3 2,-0.5 -0.981 10.4-157.3-153.5 137.4 17.3 19.9 26.4 29 29 A A E -AB 42 340A 0 311,-2.6 311,-2.8 -2,-0.3 2,-0.4 -0.964 20.8-171.7-113.2 125.9 16.6 16.2 26.8 30 30 A V E -AB 41 339A 0 11,-3.0 11,-2.6 -2,-0.5 2,-0.4 -0.932 10.7-175.1-122.6 144.1 19.7 14.0 27.1 31 31 A A E -AB 40 338A 0 307,-2.0 307,-2.4 -2,-0.4 2,-0.4 -0.996 5.1-166.4-138.0 129.7 20.1 10.2 27.1 32 32 A V E -AB 39 337A 0 7,-2.2 7,-1.4 -2,-0.4 2,-0.6 -0.978 12.0-147.5-120.0 128.8 23.3 8.3 27.8 33 33 A I E +AB 38 336A 5 303,-2.6 303,-1.4 -2,-0.4 2,-0.3 -0.895 34.5 155.7 -96.3 117.8 23.7 4.6 26.9 34 34 A Y E > -A 37 0A 15 3,-2.1 3,-1.2 -2,-0.6 301,-0.1 -0.988 59.0 -4.6-148.7 134.1 26.0 3.0 29.5 35 35 A Q T 3 S- 0 0 138 -2,-0.3 -1,-0.1 299,-0.3 300,-0.1 0.894 129.2 -49.4 49.8 48.2 26.4 -0.6 30.7 36 36 A G T 3 S+ 0 0 63 298,-0.4 -1,-0.2 1,-0.1 299,-0.1 0.518 119.8 75.9 75.6 11.4 23.4 -1.9 28.7 37 37 A K E < S-A 34 0A 110 -3,-1.2 -3,-2.1 -5,-0.0 2,-0.2 -0.992 74.9-107.2-153.0 154.7 20.7 0.6 29.6 38 38 A P E -A 33 0A 36 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.537 23.3-161.1 -82.2 147.8 19.6 4.2 28.9 39 39 A H E -A 32 0A 10 -7,-1.4 -7,-2.2 -2,-0.2 2,-0.4 -0.998 12.9-150.4-129.3 122.9 19.9 7.0 31.5 40 40 A Y E +A 31 0A 71 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.803 18.1 175.1-104.8 141.2 17.8 10.1 31.1 41 41 A Y E -A 30 0A 35 -11,-2.6 -11,-3.0 -2,-0.4 2,-0.4 -0.987 10.2-165.8-141.2 123.6 18.4 13.7 32.1 42 42 A T E -A 29 0A 57 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.927 5.6-174.2-116.9 139.6 16.1 16.6 31.3 43 43 A F E -A 28 0A 39 -15,-3.2 -15,-2.7 -2,-0.4 12,-0.0 -0.970 39.4 -21.0-132.8 145.8 16.8 20.4 31.4 44 44 A G E S-A 27 0A 40 -2,-0.3 10,-2.0 -17,-0.3 2,-0.3 -0.119 86.4 -27.4 69.6-154.2 14.8 23.6 31.0 45 45 A K E -I 53 0B 70 -19,-2.2 3,-0.2 8,-0.3 297,-0.2 -0.839 22.6-167.9-112.9 143.1 11.6 24.4 29.3 46 46 A A E S+ 0 0 8 6,-2.7 155,-2.5 1,-0.3 2,-0.4 0.726 97.8 21.3 -91.1 -29.9 9.7 23.0 26.3 47 47 A D E >> -I 52 0B 28 5,-1.5 5,-2.3 153,-0.2 4,-0.6 -0.911 69.3-169.3-143.0 107.2 7.4 26.0 26.2 48 48 A I T 45S+ 0 0 87 -2,-0.4 -1,-0.1 -3,-0.2 3,-0.1 0.908 86.5 45.9 -65.5 -47.5 8.8 29.2 27.8 49 49 A A T 45S+ 0 0 101 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.892 120.5 39.4 -65.3 -41.9 5.6 31.3 27.8 50 50 A A T 45S- 0 0 55 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.549 107.6-131.7 -83.4 -9.1 3.4 28.4 29.1 51 51 A N T <5 + 0 0 99 -4,-0.6 -3,-0.2 1,-0.2 -2,-0.1 0.890 45.1 163.2 59.5 44.1 6.3 27.4 31.4 52 52 A K E < -I 47 0B 106 -5,-2.3 -6,-2.7 1,-0.0 -5,-1.5 -0.802 30.8-133.3 -93.2 132.2 6.2 23.7 30.5 53 53 A P E -I 45 0B 73 0, 0.0 2,-0.4 0, 0.0 -8,-0.3 -0.404 22.3-102.5 -83.1 160.9 9.3 21.7 31.5 54 54 A V + 0 0 6 -10,-2.0 -12,-0.1 -2,-0.1 -26,-0.1 -0.680 47.0 175.5 -80.2 131.8 11.2 19.3 29.3 55 55 A T > - 0 0 47 -2,-0.4 3,-1.8 143,-0.1 173,-0.3 -0.823 50.1 -96.0-129.2 171.0 10.3 15.7 30.2 56 56 A P T 3 S+ 0 0 40 0, 0.0 173,-0.9 0, 0.0 172,-0.1 0.540 125.5 58.5 -67.5 -0.6 11.3 12.3 28.6 57 57 A Q T 3 S+ 0 0 95 170,-0.1 2,-0.2 171,-0.1 -3,-0.0 0.488 78.0 117.9-101.3 -11.6 8.0 12.6 26.8 58 58 A T < - 0 0 7 -3,-1.8 170,-0.4 141,-0.1 2,-0.4 -0.412 60.2-135.1 -64.3 130.7 8.8 15.9 25.0 59 59 A L B -j 199 0C 4 139,-1.9 141,-2.1 -2,-0.2 2,-0.3 -0.740 23.4-175.8 -91.2 132.2 8.9 15.7 21.2 60 60 A F E -K 226 0D 0 166,-2.5 166,-1.9 -2,-0.4 2,-0.4 -0.906 30.7-108.7-124.8 152.5 11.7 17.4 19.3 61 61 A E E -K 225 0D 4 -2,-0.3 164,-0.2 164,-0.2 280,-0.2 -0.695 23.5-155.9 -83.3 129.8 12.3 17.9 15.6 62 62 A L > - 0 0 0 162,-2.7 3,-1.7 -2,-0.4 263,-0.2 0.697 15.5-172.6 -79.9 -22.8 15.2 15.7 14.3 63 63 A G G > S- 0 0 0 159,-0.5 3,-2.3 161,-0.4 161,-0.4 -0.362 73.0 -3.3 61.9-141.1 16.3 17.6 11.2 64 64 A S G > S+ 0 0 16 255,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.554 118.4 80.9 -61.3 -10.0 18.9 15.7 9.2 65 65 A I G X> S+ 0 0 0 -3,-1.7 3,-1.7 1,-0.3 4,-0.5 0.731 76.4 76.3 -69.0 -14.8 19.0 12.9 11.9 66 66 A S H X> S+ 0 0 0 -3,-2.3 4,-1.3 1,-0.3 3,-0.7 0.749 80.3 71.6 -63.2 -24.3 15.8 11.7 10.0 67 67 A K H <> S+ 0 0 0 -3,-1.7 4,-2.1 154,-0.4 -1,-0.3 0.687 85.6 62.8 -65.8 -23.2 18.3 10.5 7.4 68 68 A T H <> S+ 0 0 0 -3,-1.7 4,-1.7 203,-0.2 -1,-0.2 0.829 103.8 48.6 -71.5 -31.6 19.5 7.6 9.6 69 69 A F H S+ 0 0 3 -4,-1.7 5,-2.0 2,-0.2 6,-0.8 0.870 110.6 48.9 -63.7 -37.9 14.7 -3.1 1.4 78 78 A I H ><5S+ 0 0 35 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.914 109.6 51.5 -67.0 -44.9 18.1 -4.3 0.1 79 79 A A H 3<5S+ 0 0 31 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.719 107.8 53.6 -64.3 -24.1 18.2 -7.2 2.7 80 80 A R H 3<5S- 0 0 114 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.604 116.8-116.2 -83.9 -15.0 14.7 -8.2 1.5 81 81 A G T <<5S+ 0 0 65 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.503 83.2 118.6 90.4 7.9 15.9 -8.4 -2.1 82 82 A E S - 0 0 42 -2,-0.3 3,-1.2 4,-0.1 22,-0.3 -0.992 18.0-139.4-133.8 139.4 20.3 -3.2 -5.0 85 85 A L T 3 S+ 0 0 18 -2,-0.4 22,-2.3 1,-0.2 23,-0.3 0.732 106.6 59.8 -68.8 -21.1 22.6 -0.2 -4.4 86 86 A D T 3 S+ 0 0 119 20,-0.2 -1,-0.2 19,-0.1 -3,-0.0 0.555 83.9 102.8 -83.3 -9.9 24.3 -1.3 -7.7 87 87 A D S < S- 0 0 38 -3,-1.2 19,-2.2 1,-0.1 20,-0.3 -0.424 81.3-106.2 -73.2 147.4 21.1 -0.8 -9.7 88 88 A P B > -M 105 0E 57 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.430 24.9-119.5 -72.9 151.6 20.8 2.3 -11.9 89 89 A V G >> S+ 0 0 0 15,-2.3 3,-1.6 12,-0.3 4,-0.6 0.872 111.1 65.9 -56.6 -37.2 18.4 5.0 -10.6 90 90 A T G 34 S+ 0 0 53 14,-0.3 -1,-0.3 1,-0.3 6,-0.2 0.631 83.3 73.6 -62.9 -16.5 16.3 4.5 -13.8 91 91 A R G <4 S+ 0 0 165 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.842 106.8 35.9 -66.1 -30.1 15.4 1.0 -12.8 92 92 A Y T <4 S+ 0 0 19 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.495 126.1 39.0-101.0 -5.3 13.0 2.5 -10.2 93 93 A W >< + 0 0 24 -4,-0.6 3,-2.0 3,-0.1 -1,-0.2 -0.597 62.4 176.7-146.8 78.4 11.9 5.5 -12.2 94 94 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.785 78.1 63.6 -51.2 -38.8 11.4 4.6 -16.0 95 95 A Q T 3 S+ 0 0 100 1,-0.1 2,-1.7 2,-0.1 3,-0.2 0.551 76.3 93.9 -68.2 -9.8 10.2 8.1 -16.9 96 96 A L < + 0 0 2 -3,-2.0 -1,-0.1 1,-0.2 -3,-0.1 -0.677 50.5 157.2 -84.0 84.8 13.6 9.5 -16.0 97 97 A T + 0 0 95 -2,-1.7 -1,-0.2 3,-0.0 -2,-0.1 0.556 18.2 124.9 -91.0 -11.4 14.9 9.3 -19.5 98 98 A G > - 0 0 17 1,-0.2 3,-1.6 -3,-0.2 4,-0.1 -0.255 59.8-137.3 -53.7 133.3 17.7 11.9 -19.6 99 99 A K G > S+ 0 0 179 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.643 96.7 76.7 -68.4 -14.3 21.0 10.3 -20.7 100 100 A Q G 3 S+ 0 0 38 1,-0.3 -1,-0.3 36,-0.2 -2,-0.1 0.674 85.6 66.0 -69.1 -15.6 22.9 12.2 -18.0 101 101 A W G X S+ 0 0 2 -3,-1.6 3,-1.8 2,-0.1 -12,-0.3 0.564 71.9 113.0 -82.9 -9.2 21.5 9.6 -15.6 102 102 A Q T < S+ 0 0 169 -3,-1.4 3,-0.1 1,-0.3 -3,-0.0 -0.476 82.8 20.3 -66.7 128.4 23.4 6.7 -17.1 103 103 A G T 3 S+ 0 0 48 1,-0.3 2,-0.7 -2,-0.2 -1,-0.3 0.329 92.2 121.6 95.8 -8.3 26.0 5.4 -14.6 104 104 A I < - 0 0 2 -3,-1.8 -15,-2.3 40,-0.1 -14,-0.3 -0.828 46.3-164.5 -93.2 115.3 24.2 6.9 -11.6 105 105 A R B > -M 88 0E 52 -2,-0.7 4,-1.4 -17,-0.3 3,-0.3 -0.445 36.6-108.0 -96.0 168.2 23.4 4.1 -9.1 106 106 A M H > S+ 0 0 0 -19,-2.2 4,-2.3 -22,-0.3 5,-0.2 0.858 121.2 62.0 -60.7 -33.0 21.0 4.0 -6.1 107 107 A L H > S+ 0 0 7 -22,-2.3 4,-1.9 -20,-0.3 -1,-0.2 0.916 100.5 51.9 -57.9 -45.1 24.3 4.0 -4.1 108 108 A D H >>S+ 0 0 0 -23,-0.3 5,-1.9 -3,-0.3 6,-0.7 0.870 109.3 48.9 -61.8 -39.8 25.2 7.4 -5.5 109 109 A L H ><5S+ 0 0 0 -4,-1.4 3,-0.8 1,-0.2 -1,-0.2 0.941 112.8 48.3 -64.7 -46.0 21.8 8.9 -4.5 110 110 A A H 3<5S+ 0 0 1 -4,-2.3 161,-0.5 1,-0.2 -2,-0.2 0.794 119.7 36.9 -64.3 -31.3 22.1 7.5 -1.0 111 111 A T H 3<5S- 0 0 0 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.206 109.4-110.6-111.2 14.2 25.6 8.7 -0.4 112 112 A Y T <<5S+ 0 0 3 -3,-0.8 37,-2.3 -4,-0.5 3,-0.2 0.737 84.1 116.4 64.2 29.9 25.6 12.1 -2.2 113 113 A T < + 0 0 0 -5,-1.9 32,-2.8 -6,-0.2 33,-0.4 0.069 28.1 113.8-115.4 25.6 27.9 11.0 -5.0 114 114 A A S S- 0 0 1 -6,-0.7 -1,-0.1 30,-0.2 -5,-0.1 0.711 96.9 -89.0 -68.6 -22.1 25.6 11.4 -8.0 115 115 A G S S- 0 0 0 32,-0.4 26,-2.1 -3,-0.2 27,-1.9 0.662 89.0 -27.7 120.6 26.6 27.7 14.2 -9.5 116 116 A G + 0 0 14 31,-0.3 23,-0.1 24,-0.2 3,-0.1 0.759 66.5 173.1 111.7 26.5 26.4 17.5 -8.0 117 117 A L - 0 0 5 32,-0.1 -1,-0.2 1,-0.1 37,-0.1 -0.458 43.4-106.8 -62.7 136.8 22.7 17.3 -7.1 118 118 A P - 0 0 48 0, 0.0 35,-0.8 0, 0.0 36,-0.2 -0.275 23.7-106.7 -67.8 157.4 21.9 20.6 -5.3 119 119 A L S S+ 0 0 62 32,-0.2 33,-2.8 33,-0.1 34,-0.8 0.882 98.7 24.6 -47.4 -49.0 21.3 20.8 -1.6 120 120 A Q S S- 0 0 89 32,-0.2 3,-0.0 31,-0.2 -1,-0.0 -0.824 78.5-114.1-124.2 158.9 17.5 21.3 -1.9 121 121 A V - 0 0 27 -2,-0.3 10,-0.0 1,-0.1 96,-0.0 -0.775 54.7-104.6 -83.4 128.7 14.7 20.5 -4.4 122 122 A P > - 0 0 34 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.167 19.1-115.6 -58.9 152.6 13.6 24.0 -5.6 123 123 A D T 3 S+ 0 0 161 1,-0.3 -2,-0.0 3,-0.0 92,-0.0 0.706 108.6 75.2 -59.2 -24.6 10.3 25.6 -4.4 124 124 A E T 3 S+ 0 0 149 1,-0.1 2,-0.9 2,-0.1 -1,-0.3 0.784 74.3 92.6 -58.4 -31.2 8.9 25.4 -7.9 125 125 A V < + 0 0 8 -3,-1.7 3,-0.1 1,-0.2 -1,-0.1 -0.582 39.7 147.1 -72.2 104.7 8.4 21.7 -7.4 126 126 A T + 0 0 110 -2,-0.9 2,-0.3 1,-0.1 -1,-0.2 0.253 63.7 16.6-122.0 6.8 4.8 21.3 -6.1 127 127 A D S > S- 0 0 74 1,-0.1 4,-1.5 0, 0.0 5,-0.1 -0.954 86.7 -88.7-163.4 178.3 3.9 17.9 -7.6 128 128 A N H > S+ 0 0 113 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.843 119.9 57.6 -69.3 -32.6 5.3 14.8 -9.2 129 129 A A H > S+ 0 0 49 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.925 112.0 41.2 -63.5 -44.0 5.2 16.2 -12.8 130 130 A S H > S+ 0 0 17 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.778 109.2 60.0 -74.8 -26.3 7.4 19.1 -11.7 131 131 A L H X S+ 0 0 12 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.937 108.3 45.1 -64.8 -46.2 9.7 16.8 -9.6 132 132 A L H X S+ 0 0 40 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.921 109.1 55.8 -62.6 -44.4 10.4 14.8 -12.8 133 133 A R H X S+ 0 0 164 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.887 107.6 51.0 -55.2 -42.5 11.0 18.1 -14.8 134 134 A F H X S+ 0 0 27 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.941 113.1 42.0 -62.3 -50.6 13.6 19.1 -12.2 135 135 A Y H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.837 114.0 53.1 -68.9 -31.0 15.6 15.8 -12.3 136 136 A Q H < S+ 0 0 56 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.841 111.9 45.4 -70.4 -35.1 15.3 15.6 -16.1 137 137 A N H < S+ 0 0 132 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.728 87.8 111.4 -80.9 -25.5 16.7 19.1 -16.5 138 138 A W < - 0 0 20 -4,-1.4 -38,-0.1 -5,-0.1 -21,-0.1 -0.273 52.7-157.5 -56.5 128.9 19.6 18.7 -14.0 139 139 A Q - 0 0 135 -23,-0.1 -1,-0.1 -2,-0.0 -2,-0.1 -0.951 18.5-125.3-113.5 116.5 23.1 18.7 -15.5 140 140 A P - 0 0 38 0, 0.0 -24,-0.2 0, 0.0 -25,-0.1 -0.275 12.0-160.5 -59.6 137.7 25.9 16.9 -13.4 141 141 A Q S S+ 0 0 150 -26,-2.1 2,-0.3 1,-0.1 -25,-0.2 0.693 78.6 29.1 -91.4 -22.6 28.9 19.0 -12.7 142 142 A W S S- 0 0 75 -27,-1.9 -1,-0.1 5,-0.1 3,-0.1 -0.912 91.9 -95.1-134.7 160.4 31.0 15.9 -11.9 143 143 A K > - 0 0 163 -2,-0.3 3,-0.9 1,-0.1 4,-0.4 -0.429 57.1 -90.3 -70.8 148.0 31.1 12.2 -13.0 144 144 A P T 3 S+ 0 0 50 0, 0.0 -30,-0.2 0, 0.0 -1,-0.1 -0.269 108.4 22.6 -61.7 145.8 29.2 9.8 -10.7 145 145 A G T 3 S+ 0 0 19 -32,-2.8 156,-0.1 2,-0.2 -31,-0.1 0.745 105.4 82.4 71.1 26.8 31.2 8.3 -7.9 146 146 A T S < S+ 0 0 54 -3,-0.9 153,-1.7 -33,-0.4 2,-0.4 0.599 84.8 41.6-128.9 -26.7 33.9 10.9 -7.7 147 147 A T E -N 298 0F 14 -4,-0.4 2,-0.6 -34,-0.3 -32,-0.4 -0.992 61.4-146.9-135.0 130.9 32.6 13.9 -5.7 148 148 A R E +N 297 0F 17 149,-3.2 149,-2.3 -2,-0.4 2,-0.4 -0.851 22.2 168.8 -97.9 121.1 30.6 14.0 -2.4 149 149 A L - 0 0 35 -37,-2.3 -35,-0.2 -2,-0.6 -33,-0.1 -0.919 36.2-126.1-133.0 101.6 28.2 17.0 -2.2 150 150 A Y + 0 0 45 -2,-0.4 2,-0.3 145,-0.4 -38,-0.0 -0.236 44.2 164.1 -48.1 127.8 25.8 16.7 0.8 151 151 A A > - 0 0 0 1,-0.1 4,-1.6 2,-0.0 3,-0.3 -0.956 46.5-155.3-157.4 135.5 22.2 17.1 -0.6 152 152 A N H > S+ 0 0 8 -33,-2.8 4,-1.8 -2,-0.3 5,-0.3 0.759 102.2 63.3 -75.4 -27.7 18.6 16.5 0.4 153 153 A A H 4 S+ 0 0 0 -35,-0.8 4,-0.5 -34,-0.8 -1,-0.2 0.750 108.3 44.9 -66.3 -23.2 17.7 16.3 -3.3 154 154 A S H > S+ 0 0 1 -3,-0.3 4,-1.8 -35,-0.2 3,-0.4 0.960 120.4 31.4 -83.7 -69.6 20.0 13.2 -3.4 155 155 A I H X S+ 0 0 2 -4,-1.6 4,-2.3 1,-0.2 -3,-0.2 0.815 115.5 61.9 -63.3 -29.7 19.1 11.1 -0.3 156 156 A G H X S+ 0 0 0 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.2 0.907 106.1 44.7 -62.1 -42.9 15.5 12.3 -0.5 157 157 A L H > S+ 0 0 2 -4,-0.5 4,-2.5 -3,-0.4 5,-0.3 0.900 108.7 57.6 -68.1 -41.2 15.1 10.7 -3.9 158 158 A F H X S+ 0 0 1 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.935 107.9 48.0 -53.2 -48.3 16.8 7.5 -2.7 159 159 A G H X S+ 0 0 2 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.858 111.5 48.8 -62.0 -38.0 14.2 7.2 0.1 160 160 A A H < S+ 0 0 28 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.881 117.1 41.3 -70.0 -39.3 11.3 7.7 -2.3 161 161 A L H >< S+ 0 0 5 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.811 105.3 64.2 -78.2 -32.2 12.6 5.2 -4.8 162 162 A A H 3< S+ 0 0 2 -4,-2.6 4,-0.2 -5,-0.3 -1,-0.2 0.796 104.6 46.7 -63.1 -29.9 13.7 2.5 -2.3 163 163 A V T 3X>S+ 0 0 12 -4,-0.9 4,-0.8 -5,-0.2 5,-0.7 0.466 87.1 90.6 -91.6 -4.0 10.1 2.0 -1.1 164 164 A K T X45S+ 0 0 96 -3,-1.1 3,-1.2 1,-0.2 -1,-0.2 0.920 82.3 53.6 -58.2 -49.4 8.5 1.7 -4.5 165 165 A P T 345S+ 0 0 60 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.811 104.1 58.0 -57.4 -30.2 8.9 -2.1 -4.9 166 166 A S T 345S- 0 0 26 -3,-0.3 -2,-0.2 -4,-0.2 -3,-0.1 0.778 102.6-135.6 -70.7 -27.2 7.1 -2.6 -1.5 167 167 A G T <<5 + 0 0 66 -3,-1.2 -3,-0.1 -4,-0.8 -1,-0.1 0.462 65.3 117.1 85.1 2.1 4.1 -0.7 -2.9 168 168 A M S - 0 0 82 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.370 41.5-102.1 -68.9 157.1 4.1 5.1 0.7 170 170 A Y H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.864 120.1 49.3 -48.3 -48.2 7.3 6.2 2.5 171 171 A E H > S+ 0 0 79 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.910 113.0 46.9 -60.8 -44.0 5.5 7.0 5.9 172 172 A Q H > S+ 0 0 107 -3,-0.2 4,-2.2 2,-0.2 5,-0.2 0.850 112.2 49.9 -67.0 -38.2 3.7 3.6 5.9 173 173 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.898 110.6 50.1 -68.2 -41.0 6.8 1.7 5.0 174 174 A M H X>S+ 0 0 5 -4,-2.3 5,-2.2 -5,-0.2 4,-1.9 0.914 113.8 45.2 -63.2 -44.8 8.8 3.4 7.8 175 175 A T H <>S+ 0 0 56 -4,-2.0 5,-2.7 3,-0.2 -2,-0.2 0.929 119.1 40.1 -64.7 -49.5 6.1 2.6 10.4 176 176 A T H <5S+ 0 0 78 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.866 125.8 32.7 -70.8 -38.3 5.6 -1.0 9.4 177 177 A R H <5S+ 0 0 24 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.698 134.4 11.3 -97.2 -20.1 9.2 -2.0 8.7 178 178 A V T X5S+ 0 0 0 -4,-1.9 4,-1.3 -5,-0.3 -3,-0.2 0.725 123.7 43.1-122.2 -57.3 11.3 0.1 11.2 179 179 A L T 4XS+ 0 0 13 -5,-2.2 5,-2.7 2,-0.2 4,-0.3 0.954 114.7 45.7 -61.4 -56.0 9.3 1.9 13.9 180 180 A K T >4 < + 0 0 4 -5,-2.7 3,-0.7 -6,-0.2 -1,-0.2 -0.624 7.5 158.2 -91.2 75.5 9.2 3.2 18.6 185 185 A D T 3 + 0 0 90 -2,-1.6 -1,-0.2 1,-0.2 -5,-0.1 0.327 64.2 53.6 -84.3 4.5 5.6 4.2 19.2 186 186 A H T 3 S+ 0 0 75 -3,-0.1 41,-0.7 -7,-0.1 2,-0.5 -0.217 81.0 104.9-132.0 42.0 6.2 7.9 19.8 187 187 A T E < +L 226 0D 8 -3,-0.7 2,-0.3 39,-0.2 39,-0.2 -0.988 49.9 177.5-126.8 115.9 8.2 8.7 16.7 188 188 A W E -L 225 0D 59 37,-3.0 37,-3.0 -2,-0.5 3,-0.2 -0.881 44.1-172.9-128.6 156.8 6.2 10.6 14.0 189 189 A I S S+ 0 0 25 1,-0.4 2,-0.6 -2,-0.3 -1,-0.1 0.730 104.8 30.0-102.2 -43.4 6.4 12.2 10.6 190 190 A N S S- 0 0 106 35,-0.1 -1,-0.4 -19,-0.0 34,-0.0 -0.950 88.9-141.8-119.4 106.8 2.9 13.6 11.2 191 191 A V - 0 0 25 -2,-0.6 5,-0.1 -3,-0.2 2,-0.0 -0.582 20.8-129.5 -73.2 119.2 2.2 14.2 14.9 192 192 A P >> - 0 0 47 0, 0.0 3,-2.0 0, 0.0 4,-0.8 -0.334 20.8-109.8 -68.3 152.7 -1.4 13.2 15.8 193 193 A K G >4 S+ 0 0 148 1,-0.3 3,-0.6 2,-0.2 4,-0.3 0.808 117.3 61.4 -51.6 -35.6 -3.7 15.6 17.6 194 194 A A G 34 S+ 0 0 84 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.753 109.0 43.7 -65.9 -22.0 -3.6 13.4 20.7 195 195 A E G X> S+ 0 0 37 -3,-2.0 3,-2.3 1,-0.2 4,-0.7 0.573 82.6 95.4-101.1 -9.5 0.2 13.9 20.9 196 196 A E T << S+ 0 0 101 -4,-0.8 3,-0.4 -3,-0.6 -1,-0.2 0.725 74.2 68.5 -54.9 -24.5 0.4 17.7 20.2 197 197 A A T 34 S+ 0 0 76 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.702 101.1 48.0 -68.9 -19.4 0.5 18.5 24.0 198 198 A H T <4 S+ 0 0 66 -3,-2.3 -139,-1.9 -140,-0.1 2,-0.3 0.636 84.6 111.8 -91.9 -20.0 4.0 16.9 24.1 199 199 A Y B < -j 59 0C 34 -4,-0.7 -139,-0.1 -3,-0.4 -141,-0.1 -0.410 63.4-140.1 -62.2 116.2 5.3 18.8 21.1 200 200 A A - 0 0 1 -141,-2.1 2,-0.4 -2,-0.3 -153,-0.2 -0.228 14.5-116.3 -70.8 164.2 7.9 21.2 22.2 201 201 A W - 0 0 84 -155,-2.5 2,-0.2 9,-0.1 9,-0.2 -0.867 24.0-138.1-103.3 137.0 8.2 24.7 20.7 202 202 A G E -O 209 0G 0 7,-2.5 7,-3.5 -2,-0.4 2,-0.4 -0.647 15.4-144.6 -90.1 157.1 11.3 25.6 18.8 203 203 A Y E +Op 208 343G 23 119,-1.4 141,-0.5 139,-1.2 2,-0.4 -0.989 20.7 172.6-130.8 131.9 12.9 29.0 19.2 204 204 A R E > S-O 207 0G 153 3,-2.6 3,-2.3 -2,-0.4 118,-0.1 -0.966 79.2 -18.3-138.1 115.9 14.7 31.2 16.7 205 205 A D T 3 S- 0 0 170 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.864 129.5 -52.5 57.0 35.2 15.8 34.8 17.6 206 206 A G T 3 S+ 0 0 73 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.318 114.1 123.4 84.6 -8.3 13.4 34.7 20.5 207 207 A K E < -O 204 0G 141 -3,-2.3 -3,-2.6 1,-0.0 2,-0.5 -0.713 64.2-126.0 -90.0 132.6 10.5 33.6 18.2 208 208 A A E +O 203 0G 39 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.3 -0.663 42.7 171.4 -77.8 123.7 8.6 30.4 18.9 209 209 A V E -O 202 0G 31 -7,-3.5 -7,-2.5 -2,-0.5 2,-0.3 -0.929 22.1-171.7-136.2 160.3 8.6 28.3 15.8 210 210 A R - 0 0 80 -2,-0.3 -9,-0.1 -9,-0.2 -2,-0.0 -0.989 38.0 -86.7-148.8 148.7 7.7 24.8 14.4 211 211 A A 0 0 54 -2,-0.3 12,-0.0 1,-0.1 109,-0.0 -0.122 360.0 360.0 -56.2 150.6 8.3 23.0 11.2 212 212 A V 0 0 144 2,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.745 360.0 360.0-105.3 360.0 5.9 23.3 8.2 213 ! 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 0.0 214 216 A P 0 0 134 0, 0.0 -2,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-138.2 5.5 21.0 3.5 215 217 A G - 0 0 43 1,-0.1 0, 0.0 -89,-0.1 0, 0.0 -0.494 360.0 -95.7 176.8-101.3 7.8 20.0 0.5 216 218 A M S S+ 0 0 64 -2,-0.1 3,-0.3 -90,-0.0 4,-0.1 -0.089 111.2 24.1-173.8 -66.2 8.1 16.8 -1.4 217 219 A L S > S+ 0 0 13 1,-0.2 4,-1.1 2,-0.1 5,-0.2 -0.148 87.1 117.2-108.8 32.6 11.0 14.6 -0.1 218 220 A D H >>S+ 0 0 37 2,-0.2 4,-3.2 1,-0.2 5,-0.8 0.881 71.2 52.9 -69.3 -39.7 10.9 16.2 3.4 219 221 A A H >5S+ 0 0 23 -3,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.909 111.3 47.4 -62.7 -40.4 9.9 13.1 5.2 220 222 A Q H 45S+ 0 0 14 1,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.718 124.1 31.6 -71.5 -26.4 12.9 11.2 3.6 221 223 A A H <5S- 0 0 0 -4,-1.1 -154,-0.4 -3,-0.2 -155,-0.2 0.832 139.2 -17.9-102.9 -42.5 15.3 14.1 4.4 222 224 A Y H <5S+ 0 0 78 -4,-3.2 -159,-0.5 -156,-0.2 -3,-0.2 0.155 91.4 107.7-161.4 36.6 14.3 15.8 7.6 223 225 A G << + 0 0 13 -5,-0.8 2,-0.3 -4,-0.7 -4,-0.1 0.310 43.2 118.2-106.5 12.8 10.7 15.3 8.8 224 226 A V - 0 0 7 -161,-0.4 -162,-2.7 -5,-0.2 -161,-0.4 -0.584 37.3-170.8 -85.6 139.0 11.0 13.0 11.9 225 227 A K E +KL 61 188D 27 -37,-3.0 -37,-3.0 -2,-0.3 2,-0.3 -0.993 19.8 150.9-124.0 134.8 9.8 14.1 15.4 226 228 A T E -KL 60 187D 0 -166,-1.9 -166,-2.5 -2,-0.4 -39,-0.2 -0.963 37.9-113.0-158.2 166.6 10.5 11.9 18.5 227 229 A N > - 0 0 3 -41,-0.7 4,-2.0 -2,-0.3 -168,-0.2 -0.535 39.7-102.4 -99.7 172.7 11.1 11.9 22.2 228 230 A V H > S+ 0 0 1 -170,-0.4 4,-1.8 -173,-0.3 -171,-0.1 0.740 117.5 57.1 -67.7 -25.5 14.3 11.1 24.1 229 231 A Q H > S+ 0 0 60 -173,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.952 109.4 43.5 -71.2 -49.1 13.1 7.6 25.1 230 232 A D H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.909 114.1 52.5 -62.4 -40.0 12.5 6.5 21.5 231 233 A M H X S+ 0 0 1 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.886 106.9 51.8 -63.7 -38.8 15.7 8.1 20.4 232 234 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.913 111.8 46.6 -63.7 -42.0 17.7 6.2 23.1 233 235 A N H X S+ 0 0 75 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.853 109.1 55.5 -68.9 -32.8 16.2 2.9 21.9 234 236 A W H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.935 109.9 46.3 -63.3 -45.7 17.0 3.9 18.3 235 237 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.914 110.6 53.0 -64.2 -41.4 20.6 4.3 19.3 236 238 A M H X S+ 0 0 44 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.903 108.3 49.8 -61.7 -39.9 20.6 1.0 21.2 237 239 A A H < S+ 0 0 12 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.882 113.1 47.6 -66.3 -36.6 19.3 -0.9 18.2 238 240 A N H < S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.798 114.6 44.1 -75.9 -30.1 21.9 0.7 15.9 239 241 A M H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.720 127.6 29.0 -87.9 -16.1 24.8 -0.0 18.3 240 242 A A >< + 0 0 9 -4,-1.6 3,-1.8 -5,-0.2 -1,-0.2 -0.490 64.3 157.0-139.9 64.0 23.7 -3.6 19.1 241 243 A P G > + 0 0 17 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.682 65.9 78.9 -65.0 -15.5 21.8 -5.0 16.0 242 244 A E G 3 S+ 0 0 105 1,-0.3 -5,-0.1 -3,-0.1 8,-0.1 0.767 90.4 57.2 -62.5 -22.4 22.6 -8.5 17.2 243 245 A N G < S+ 0 0 136 -3,-1.8 2,-0.5 -6,-0.1 -1,-0.3 0.484 84.2 93.3 -88.0 -6.7 19.7 -8.0 19.6 244 246 A V < - 0 0 17 -3,-1.7 6,-0.1 -7,-0.2 -62,-0.1 -0.793 60.5-157.5 -90.9 130.5 17.0 -7.2 17.0 245 247 A A + 0 0 98 -2,-0.5 2,-0.3 -64,-0.2 -1,-0.1 0.837 64.6 98.0 -73.7 -39.8 15.0 -10.2 15.9 246 248 A D > - 0 0 45 1,-0.2 4,-2.3 -65,-0.1 5,-0.2 -0.396 65.5-152.7 -54.8 112.0 13.7 -9.0 12.5 247 249 A A H > S+ 0 0 65 -2,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.857 89.6 41.9 -61.0 -43.0 16.3 -10.5 10.1 248 250 A S H > S+ 0 0 18 2,-0.2 4,-2.1 1,-0.2 -169,-0.2 0.852 114.0 54.1 -74.5 -32.7 16.1 -8.0 7.3 249 251 A L H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.903 106.2 50.5 -68.1 -41.3 16.1 -5.1 9.7 250 252 A K H X S+ 0 0 72 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.876 113.4 46.4 -66.1 -34.2 19.2 -6.2 11.5 251 253 A Q H X S+ 0 0 114 -4,-1.2 4,-2.2 -5,-0.2 -1,-0.2 0.860 109.8 54.5 -73.6 -33.0 21.0 -6.5 8.1 252 254 A G H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.853 106.6 51.1 -66.6 -36.2 19.6 -3.1 7.2 253 255 A I H X S+ 0 0 0 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.908 110.4 49.6 -66.7 -41.3 21.1 -1.6 10.3 254 256 A A H < S+ 0 0 33 -4,-1.6 3,-0.4 1,-0.2 -2,-0.2 0.881 109.1 52.0 -65.8 -37.4 24.4 -3.2 9.4 255 257 A L H >< S+ 0 0 44 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.874 104.8 55.7 -67.1 -35.9 24.2 -1.8 5.8 256 258 A A H 3< S+ 0 0 0 -4,-1.8 14,-1.7 1,-0.3 16,-0.4 0.746 111.4 44.4 -68.7 -24.4 23.6 1.8 7.1 257 259 A Q T 3< S+ 0 0 10 -4,-1.0 52,-0.4 -3,-0.4 -1,-0.3 0.274 90.2 111.5-100.6 4.6 26.8 1.6 9.1 258 260 A S S < S- 0 0 9 -3,-1.2 2,-0.7 50,-0.1 12,-0.1 -0.459 74.1-114.5 -75.7 155.0 28.9 0.1 6.3 259 261 A R E +C 306 0A 11 47,-2.5 47,-1.7 1,-0.2 10,-0.2 -0.846 41.2 162.9 -98.2 112.0 31.6 2.2 4.7 260 262 A Y E + 0 0 4 8,-2.4 42,-2.0 -2,-0.7 2,-0.3 0.739 67.4 10.2 -96.3 -29.3 31.0 3.1 1.0 261 263 A W E -CD 301 268A 3 7,-0.7 7,-1.9 40,-0.2 2,-0.4 -0.981 61.8-137.9-148.5 154.8 33.4 6.0 0.6 262 264 A R E -CD 300 267A 115 38,-2.1 38,-2.3 -2,-0.3 2,-0.5 -0.979 15.0-178.0-118.5 129.6 36.2 7.7 2.5 263 265 A I E > - D 0 266A 13 3,-3.0 3,-2.2 -2,-0.4 2,-0.5 -0.890 64.1 -64.3-125.9 94.7 36.5 11.5 2.5 264 266 A G T 3 S- 0 0 53 -2,-0.5 36,-0.0 1,-0.3 35,-0.0 -0.472 120.9 -9.6 65.9-116.0 39.6 12.5 4.5 265 267 A S T 3 S+ 0 0 80 -2,-0.5 11,-0.5 18,-0.1 -1,-0.3 0.463 125.4 76.8 -93.7 -4.0 39.1 11.3 8.0 266 268 A M E < -D 263 0A 33 -3,-2.2 -3,-3.0 9,-0.1 2,-0.4 -0.727 61.1-150.5-111.9 160.7 35.4 10.4 7.6 267 269 A Y E -DE 262 274A 39 7,-2.7 7,-2.6 -2,-0.3 2,-0.5 -0.980 16.5-132.8-127.1 139.0 33.5 7.5 6.0 268 270 A Q E +DE 261 273A 0 -7,-1.9 -8,-2.4 -2,-0.4 -7,-0.7 -0.797 28.5 168.1 -98.4 126.7 30.0 7.7 4.5 269 271 A G - 0 0 0 3,-2.1 2,-0.9 -2,-0.5 -12,-0.2 -0.182 57.0 -64.1-109.9-155.4 27.3 5.1 5.4 270 272 A L S S- 0 0 1 -14,-1.7 2,-1.4 -15,-0.2 -199,-0.1 -0.847 113.5 -32.1 -98.6 98.6 23.6 5.3 4.6 271 273 A G S S+ 0 0 0 -2,-0.9 -203,-0.2 -161,-0.5 -204,-0.1 -0.469 127.3 89.3 89.7 -61.9 22.5 8.3 6.7 272 274 A W - 0 0 0 -2,-1.4 -3,-2.1 -16,-0.4 2,-0.4 -0.280 63.7-153.4 -68.2 150.2 25.1 7.6 9.4 273 275 A E E -EF 268 315A 34 42,-1.6 42,-2.4 -5,-0.2 2,-0.3 -0.958 15.0-163.0-124.2 142.9 28.6 9.1 9.1 274 276 A M E -EF 267 314A 2 -7,-2.6 -7,-2.7 -2,-0.4 2,-0.3 -0.931 18.3-173.1-133.2 156.5 31.7 7.5 10.8 275 277 A L E - F 0 313A 10 38,-1.5 38,-3.3 -2,-0.3 -9,-0.1 -0.969 41.5 -96.8-138.9 147.6 35.3 8.1 11.9 276 278 A N E - F 0 312A 75 -11,-0.5 36,-0.3 -2,-0.3 34,-0.0 -0.429 52.4 -99.0 -66.7 139.2 37.8 5.5 13.2 277 279 A W S S+ 0 0 22 34,-2.5 2,-0.1 -2,-0.1 34,-0.0 -0.893 102.5 50.5-105.1 139.3 38.0 5.2 17.0 278 280 A P S S+ 0 0 111 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.407 78.7 156.8 -74.4 147.3 40.1 6.4 18.8 279 281 A V - 0 0 16 -2,-0.1 2,-0.2 -4,-0.1 -2,-0.0 -0.981 39.1-116.5-138.5 145.5 39.7 9.9 17.3 280 282 A E >> - 0 0 134 -2,-0.3 4,-1.5 1,-0.1 3,-0.6 -0.510 24.6-117.7 -83.0 154.1 40.5 13.3 18.9 281 283 A A H 3> S+ 0 0 17 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.894 110.5 57.6 -57.3 -43.9 37.9 16.0 19.5 282 284 A N H 3> S+ 0 0 78 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.825 103.9 53.4 -61.2 -29.7 39.4 18.6 17.2 283 285 A T H <> S+ 0 0 52 -3,-0.6 4,-1.4 2,-0.2 -1,-0.2 0.944 116.5 37.7 -68.2 -46.9 39.1 16.2 14.2 284 286 A V H X S+ 0 0 4 -4,-1.5 4,-0.9 2,-0.2 -2,-0.2 0.907 122.1 44.7 -70.9 -42.0 35.4 15.5 14.9 285 287 A V H >< S+ 0 0 18 -4,-3.5 3,-0.8 2,-0.2 4,-0.3 0.926 113.7 47.5 -68.4 -48.5 34.7 19.1 15.9 286 288 A E H >< S+ 0 0 129 -4,-2.5 3,-0.7 -5,-0.3 -1,-0.2 0.845 107.8 57.1 -67.3 -31.2 36.6 20.8 13.1 287 289 A G H 3< S+ 0 0 44 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.851 97.1 65.6 -65.2 -27.4 34.9 18.3 10.6 288 290 A S T << S+ 0 0 16 -4,-0.9 59,-0.2 -3,-0.8 -1,-0.2 0.512 73.6 114.1 -78.8 -2.7 31.2 19.7 11.8 289 291 A D S X> S- 0 0 70 -3,-0.7 4,-2.8 -4,-0.3 3,-0.7 -0.465 72.5-132.3 -68.5 137.8 31.7 23.2 10.4 290 292 A S H 3> S+ 0 0 73 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.851 102.9 68.8 -62.7 -35.7 29.4 24.1 7.5 291 293 A K H 34 S+ 0 0 161 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.854 116.0 26.5 -50.6 -38.5 32.3 25.4 5.5 292 294 A V H X4 S+ 0 0 49 -3,-0.7 3,-0.6 -6,-0.2 -2,-0.2 0.812 119.4 57.9 -94.4 -35.7 33.5 21.8 5.2 293 295 A A H 3< S+ 0 0 39 -4,-2.8 -143,-0.3 1,-0.2 -2,-0.2 0.732 111.6 41.6 -68.6 -23.0 30.2 20.1 5.6 294 296 A L T 3< S+ 0 0 90 -4,-2.9 -1,-0.2 -5,-0.2 -3,-0.1 0.510 94.9 106.9-101.1 -6.5 28.6 21.9 2.6 295 297 A A S < S- 0 0 27 -3,-0.6 2,-0.8 -5,-0.3 -145,-0.4 -0.318 75.5-114.1 -77.9 151.2 31.7 21.6 0.3 296 298 A P - 0 0 62 0, 0.0 -147,-0.2 0, 0.0 -1,-0.1 -0.775 45.0-176.8 -84.7 112.8 32.2 19.3 -2.8 297 299 A L E -N 148 0F 69 -149,-2.3 -149,-3.2 -2,-0.8 2,-0.1 -0.899 27.9-109.1-117.3 145.1 34.9 16.9 -1.7 298 300 A P E -N 147 0F 99 0, 0.0 2,-0.3 0, 0.0 -151,-0.2 -0.383 37.0-144.9 -69.2 145.1 36.7 14.1 -3.6 299 301 A V - 0 0 27 -153,-1.7 2,-0.6 -36,-0.1 -36,-0.2 -0.837 11.1-143.1-117.2 152.1 35.9 10.5 -2.5 300 302 A A E -C 262 0A 43 -38,-2.3 -38,-2.1 -2,-0.3 2,-0.1 -0.955 30.1-127.1-112.3 116.2 37.9 7.3 -2.2 301 303 A E E -C 261 0A 87 -2,-0.6 2,-0.7 -40,-0.2 -40,-0.2 -0.361 10.5-151.4 -64.6 136.7 35.7 4.2 -3.2 302 304 A V E - 0 0 30 -42,-2.0 -1,-0.1 -2,-0.1 4,-0.0 -0.952 24.9-148.3-110.3 106.3 35.5 1.4 -0.7 303 305 A N E S+ 0 0 127 -2,-0.7 -43,-0.0 1,-0.1 -2,-0.0 -0.963 81.8 17.9-134.6 117.9 34.9 -1.7 -2.8 304 306 A P E S- 0 0 103 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.616 113.7-102.1 -71.8 164.5 33.4 -3.9 -1.8 305 307 A P E - 0 0 54 0, 0.0 -45,-0.2 0, 0.0 -2,-0.1 -0.289 36.9-114.8 -55.9 133.3 31.8 -1.8 1.0 306 308 A A E -C 259 0A 29 -47,-1.7 -47,-2.5 1,-0.1 3,-0.1 -0.535 29.1-122.2 -71.8 130.9 33.4 -2.4 4.4 307 309 A P - 0 0 95 0, 0.0 -48,-0.1 0, 0.0 -52,-0.1 -0.216 55.6 -57.0 -64.5 167.8 31.0 -4.0 6.9 308 310 A P - 0 0 40 0, 0.0 2,-0.6 0, 0.0 -50,-0.1 -0.179 51.7-143.7 -52.1 131.2 30.4 -2.1 10.2 309 311 A V - 0 0 53 -52,-0.4 23,-0.1 1,-0.1 3,-0.1 -0.894 1.2-152.7 -99.6 117.4 33.7 -1.4 12.1 310 312 A K S S+ 0 0 93 -2,-0.6 22,-2.2 1,-0.2 2,-2.1 0.879 88.6 68.1 -58.5 -39.3 33.1 -1.7 15.9 311 313 A A S S+ 0 0 29 20,-0.2 -34,-2.5 21,-0.1 2,-0.3 -0.487 83.1 118.4 -81.9 70.7 35.9 0.7 16.7 312 314 A S E -F 276 0A 2 -2,-2.1 2,-0.8 -36,-0.3 -36,-0.2 -0.959 67.0-132.9-136.8 152.6 34.1 3.7 15.2 313 315 A W E -F 275 0A 2 -38,-3.3 -38,-1.5 -2,-0.3 2,-0.5 -0.950 36.1-168.1-100.9 104.7 32.7 7.1 16.3 314 316 A V E +FG 274 329A 0 15,-2.8 15,-2.4 -2,-0.8 2,-0.3 -0.903 20.1 145.8 -99.8 129.2 29.2 6.9 14.6 315 317 A H E -FG 273 328A 19 -42,-2.4 -42,-1.6 -2,-0.5 2,-0.3 -0.962 31.5-166.5-157.0 171.7 27.3 10.1 14.5 316 318 A K E - G 0 327A 13 11,-1.9 11,-1.6 -2,-0.3 2,-0.3 -0.895 12.7-149.7-166.1 130.9 24.8 12.5 12.9 317 319 A T E - G 0 326A 29 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.684 17.8-175.4 -98.1 157.8 23.8 16.1 13.5 318 320 A G E + G 0 325A 2 7,-2.0 7,-3.2 -2,-0.3 2,-0.3 -0.950 6.4 169.3-157.9 135.7 20.4 17.5 12.8 319 321 A S E - G 0 324A 44 -2,-0.3 -255,-0.3 5,-0.2 2,-0.2 -0.971 9.6-177.5-145.7 157.5 18.7 21.0 12.8 320 322 A T - 0 0 31 3,-2.0 3,-0.3 -2,-0.3 24,-0.1 -0.742 57.8 -73.3-136.5-176.4 15.5 22.8 11.8 321 323 A G S S+ 0 0 29 -2,-0.2 23,-0.4 1,-0.2 -118,-0.0 0.906 132.0 15.8 -51.8 -42.5 14.5 26.4 12.1 322 324 A G S S+ 0 0 1 21,-0.1 -119,-1.4 -120,-0.1 2,-0.3 0.350 116.8 71.8-117.8 11.5 14.0 26.1 15.9 323 325 A F - 0 0 0 -3,-0.3 -3,-2.0 20,-0.2 2,-0.4 -0.949 45.8-171.7-132.4 149.1 15.7 22.8 16.9 324 326 A G E +GH 319 341A 0 17,-1.8 17,-1.2 -2,-0.3 2,-0.3 -0.964 18.8 166.5-139.6 117.3 19.2 21.5 17.3 325 327 A S E -GH 318 340A 0 -7,-3.2 -7,-2.0 -2,-0.4 2,-0.3 -0.863 12.0-173.4-130.3 163.9 20.0 17.8 18.0 326 328 A Y E -GH 317 339A 1 13,-1.7 13,-2.5 -2,-0.3 2,-0.3 -0.979 4.4-169.6-158.3 144.6 23.0 15.4 17.9 327 329 A V E +GH 316 338A 1 -11,-1.6 -11,-1.9 -2,-0.3 2,-0.3 -0.999 11.9 166.7-138.8 134.4 23.6 11.7 18.3 328 330 A A E +GH 315 337A 0 9,-1.9 9,-2.6 -2,-0.3 2,-0.3 -0.993 2.9 170.5-148.4 142.8 27.0 9.8 18.7 329 331 A F E -GH 314 336A 0 -15,-2.4 -15,-2.8 -2,-0.3 7,-0.2 -0.996 24.9-147.3-153.9 152.1 28.0 6.3 19.8 330 332 A I E >>> - H 0 335A 1 5,-2.5 4,-1.4 -2,-0.3 5,-1.3 -0.922 10.2-164.6-123.3 102.5 31.0 3.9 19.9 331 333 A P T 345S+ 0 0 4 0, 0.0 -20,-0.2 0, 0.0 3,-0.2 0.854 86.1 60.8 -54.3 -42.5 30.1 0.2 19.3 332 334 A E T 345S+ 0 0 115 -22,-2.2 -21,-0.1 1,-0.2 -22,-0.1 0.865 117.5 31.8 -54.5 -38.5 33.3 -1.2 20.6 333 335 A K T <45S- 0 0 76 -3,-0.8 -1,-0.2 -23,-0.3 3,-0.1 0.568 101.4-132.8 -94.7 -14.4 32.6 0.4 24.0 334 336 A Q T <5 + 0 0 70 -4,-1.4 -298,-0.4 1,-0.2 2,-0.3 0.925 62.9 128.1 57.5 46.1 28.8 0.2 23.9 335 337 A I E < + H 0 330A 4 -5,-1.3 -5,-2.5 -301,-0.1 2,-0.3 -0.943 27.2 157.7-127.3 149.5 28.4 3.8 25.0 336 338 A G E -BH 33 329A 0 -303,-1.4 -303,-2.6 -2,-0.3 2,-0.3 -0.981 21.4-147.1-163.1 167.6 26.3 6.5 23.3 337 339 A I E -BH 32 328A 0 -9,-2.6 -9,-1.9 -2,-0.3 2,-0.4 -0.998 3.1-162.0-148.4 147.9 24.5 9.8 23.8 338 340 A V E -BH 31 327A 0 -307,-2.4 -307,-2.0 -2,-0.3 2,-0.4 -0.998 8.2-175.1-128.4 130.8 21.5 11.7 22.5 339 341 A M E -BH 30 326A 0 -13,-2.5 -13,-1.7 -2,-0.4 2,-0.5 -0.922 4.1-179.0-131.4 105.4 21.1 15.4 22.9 340 342 A L E +BH 29 325A 0 -311,-2.8 -311,-2.6 -2,-0.4 2,-0.3 -0.916 9.5 174.6-106.9 127.3 17.8 17.0 21.8 341 343 A A E -BH 28 324A 0 -17,-1.2 -17,-1.8 -2,-0.5 -313,-0.2 -0.955 37.4-131.7-134.9 152.0 17.3 20.8 22.1 342 344 A N S S+ 0 0 0 -315,-1.5 -139,-1.2 -2,-0.3 2,-0.3 -0.174 88.7 58.0 -95.8 40.4 14.7 23.4 21.2 343 345 A T B S-p 203 0G 23 -19,-0.2 2,-1.3 -141,-0.2 -19,-0.3 -0.899 83.3-119.5-162.0 136.1 17.2 25.9 19.6 344 346 A S + 0 0 57 -141,-0.5 -20,-0.1 -23,-0.4 3,-0.1 -0.669 43.8 170.5 -82.6 91.9 19.6 25.5 16.7 345 347 A Y - 0 0 7 -2,-1.3 5,-0.1 1,-0.1 -2,-0.1 -0.665 45.4 -60.9 -99.8 159.8 23.0 26.1 18.3 346 348 A P >> - 0 0 72 0, 0.0 4,-1.3 0, 0.0 3,-0.8 -0.008 38.2-136.4 -40.8 129.1 26.5 25.6 16.6 347 349 A N H 3> S+ 0 0 41 1,-0.2 4,-2.5 -59,-0.2 3,-0.3 0.859 104.0 58.5 -56.3 -42.7 27.4 22.0 15.6 348 350 A P H 3> S+ 0 0 37 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.847 104.9 52.3 -58.1 -32.4 30.9 22.3 17.0 349 351 A A H <> S+ 0 0 20 -3,-0.8 4,-1.6 2,-0.2 -2,-0.2 0.831 109.1 49.1 -70.0 -36.9 29.4 23.1 20.4 350 352 A R H X S+ 0 0 2 -4,-1.3 4,-2.1 -3,-0.3 5,-0.2 0.929 113.4 46.6 -67.6 -47.0 27.2 20.0 20.2 351 353 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.911 110.4 52.3 -61.7 -46.5 30.2 17.8 19.3 352 354 A E H X S+ 0 0 92 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.913 111.6 45.7 -56.9 -47.8 32.4 19.2 22.0 353 355 A A H X S+ 0 0 8 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.902 114.3 47.6 -63.6 -45.4 29.8 18.5 24.8 354 356 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.911 111.9 50.1 -63.8 -43.3 29.0 15.0 23.6 355 357 A Y H X S+ 0 0 17 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.897 108.3 53.9 -62.9 -41.0 32.7 14.1 23.3 356 358 A H H X S+ 0 0 99 -4,-2.1 4,-0.9 -5,-0.2 -1,-0.2 0.920 111.7 43.9 -60.1 -46.3 33.4 15.4 26.8 357 359 A I H >< S+ 0 0 0 -4,-1.9 3,-0.7 1,-0.2 4,-0.5 0.937 115.8 45.6 -65.6 -49.8 30.7 13.2 28.3 358 360 A L H >X S+ 0 0 2 -4,-2.5 4,-1.4 1,-0.2 3,-1.0 0.815 104.6 63.7 -65.1 -30.3 31.5 10.0 26.4 359 361 A E H 3< S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.845 99.1 54.5 -63.0 -32.4 35.2 10.5 27.1 360 362 A A T << S+ 0 0 36 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.672 110.7 46.4 -74.9 -17.5 34.5 10.1 30.8 361 363 A L T <4 0 0 9 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.652 360.0 360.0 -98.4 -22.1 32.8 6.7 30.2 362 364 A Q < 0 0 77 -4,-1.4 -1,-0.1 -3,-0.1 -2,-0.1 0.588 360.0 360.0 -72.0 360.0 35.4 5.1 27.9