==== 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 HYDROLASE 20-APR-07 2PM8 . COMPND 2 MOLECULE: CHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.N.NGAMELUE,K.HOMMA,O.LOCKRIDGE,O.A.ASOJO . 1060 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41920.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 693 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 91 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 5.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 . 81 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 138 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 277 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.8 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 6 0 2 5 4 2 1 4 2 0 3 1 1 0 0 0 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 1 4 4 1 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 PARALLEL BRIDGES PER LADDER . 3 0 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 0 0 0 0 1 1 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 I 0 0 96 0, 0.0 11,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 145.9 30.6 -54.6 -16.3 2 5 A I E -A 11 0A 75 9,-0.2 2,-0.4 7,-0.0 9,-0.2 -0.850 360.0-176.9-111.0 140.2 27.2 -55.2 -18.0 3 6 A I E -A 10 0A 20 7,-2.0 7,-2.7 -2,-0.4 2,-0.7 -1.000 21.9-133.7-134.7 134.0 23.9 -56.5 -16.7 4 7 A A E -A 9 0A 70 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.772 27.9-177.9 -91.6 113.6 20.7 -57.2 -18.6 5 8 A T E > -A 8 0A 13 3,-1.4 3,-0.9 -2,-0.7 173,-0.1 -0.765 44.9 -98.6-108.4 158.6 17.5 -55.8 -17.1 6 9 A K T 3 S+ 0 0 151 -2,-0.3 3,-0.1 1,-0.3 42,-0.1 0.536 126.8 40.4 -48.0 -11.1 13.9 -56.0 -18.1 7 10 A N T 3 S- 0 0 29 1,-0.4 42,-2.6 41,-0.1 -1,-0.3 0.686 127.9 -62.8-109.3 -27.9 14.2 -52.6 -19.7 8 11 A G E < -A 5 0A 13 -3,-0.9 -3,-1.4 40,-0.2 -1,-0.4 -0.884 65.7 -46.9 158.3 170.7 17.7 -52.9 -21.2 9 12 A K E -Ab 4 52A 109 42,-0.7 44,-2.3 40,-0.3 2,-0.4 -0.322 49.3-158.5 -64.5 140.6 21.4 -53.5 -20.7 10 13 A V E -Ab 3 53A 0 -7,-2.7 -7,-2.0 42,-0.2 2,-0.6 -0.987 6.7-149.8-127.4 137.7 23.2 -51.4 -17.9 11 14 A R E +Ab 2 54A 94 42,-3.7 44,-0.8 -2,-0.4 -9,-0.2 -0.902 21.3 175.6-107.1 120.8 26.9 -50.5 -17.4 12 15 A G - 0 0 5 -11,-2.2 13,-0.2 -2,-0.6 2,-0.2 -0.442 20.6-119.0-109.0-174.2 28.3 -50.1 -13.9 13 16 A M E -C 24 0B 67 11,-2.5 11,-2.3 42,-0.3 2,-0.5 -0.686 15.9-119.0-122.9 174.7 31.7 -49.4 -12.4 14 17 A Q E -C 23 0B 112 9,-0.2 9,-0.2 -2,-0.2 2,-0.2 -0.935 24.5-160.7-124.2 108.1 34.1 -51.1 -9.9 15 18 A L E -C 22 0B 27 7,-1.9 7,-2.0 -2,-0.5 2,-0.6 -0.561 20.2-123.5 -86.2 148.7 35.0 -49.3 -6.7 16 19 A T E +C 21 0B 124 -2,-0.2 2,-0.4 5,-0.2 5,-0.2 -0.856 39.5 171.3 -89.3 117.6 38.0 -50.2 -4.7 17 20 A V E > -C 20 0B 5 3,-2.7 3,-1.5 -2,-0.6 -2,-0.0 -0.987 57.9 -22.8-135.8 127.7 37.0 -51.1 -1.1 18 21 A F T 3 S- 0 0 54 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.862 122.3 -51.8 41.4 54.0 39.0 -52.5 1.8 19 22 A G T 3 S+ 0 0 84 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.754 130.4 69.2 58.3 29.0 41.7 -54.1 -0.4 20 23 A G E < S-C 17 0B 17 -3,-1.5 -3,-2.7 -5,-0.0 2,-0.4 -0.816 83.4 -83.8-157.2-168.2 38.9 -55.8 -2.5 21 24 A T E -C 16 0B 54 -2,-0.2 77,-1.2 77,-0.2 2,-0.3 -0.882 24.1-178.8-126.7 138.7 36.2 -55.0 -4.9 22 25 A V E -CD 15 97B 0 -7,-2.0 -7,-1.9 -2,-0.4 2,-0.5 -0.962 22.5-137.7-124.3 149.6 32.6 -53.8 -5.0 23 26 A T E -CD 14 96B 2 73,-2.8 73,-3.2 -2,-0.3 2,-0.4 -0.935 21.6-163.8-111.2 126.6 30.5 -53.2 -8.1 24 27 A A E -CD 13 95B 0 -11,-2.3 -11,-2.5 -2,-0.5 2,-0.5 -0.910 20.2-173.7-119.4 133.0 28.3 -50.1 -8.3 25 28 A F E - D 0 94B 0 69,-3.1 69,-1.7 -2,-0.4 3,-0.4 -0.866 22.6-173.3-119.5 95.1 25.3 -49.1 -10.5 26 29 A L E + 0 0 12 29,-2.4 31,-0.5 -2,-0.5 67,-0.2 -0.641 58.1 8.6 -92.0 143.8 24.5 -45.5 -9.6 27 30 A G E + 0 0 3 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.929 69.8 174.5 55.8 58.3 21.5 -43.7 -10.9 28 31 A I E - D 0 92B 0 64,-3.7 64,-2.5 -3,-0.4 -1,-0.2 -0.836 33.3-122.4 -87.5 127.0 19.5 -46.3 -12.7 29 32 A P E + D 0 91B 8 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.427 36.2 169.6 -60.4 145.5 16.2 -45.0 -14.0 30 33 A Y + 0 0 11 60,-1.4 2,-0.3 1,-0.3 16,-0.2 0.377 61.7 31.3-136.8 -8.5 13.3 -47.0 -12.6 31 34 A A S S- 0 0 2 59,-0.8 -1,-0.3 14,-0.1 14,-0.2 -0.944 93.3 -84.4-143.4 166.7 10.3 -44.8 -13.6 32 35 A Q - 0 0 78 12,-2.3 12,-0.4 -2,-0.3 14,-0.1 -0.627 61.2 -95.3 -75.0 127.7 9.3 -42.4 -16.4 33 36 A P - 0 0 40 0, 0.0 2,-2.7 0, 0.0 5,-0.2 -0.219 36.8-126.9 -53.3 115.3 10.7 -38.9 -15.6 34 37 A P + 0 0 3 0, 0.0 2,-0.4 0, 0.0 6,-0.1 -0.328 53.7 155.4 -73.6 72.9 7.8 -37.2 -13.9 35 38 A L > - 0 0 86 -2,-2.7 2,-1.7 3,-0.1 3,-1.6 -0.801 52.0 -33.8-111.3 136.8 7.7 -34.2 -16.2 36 39 A G T 3 S+ 0 0 39 -2,-0.4 -1,-0.0 1,-0.3 0, 0.0 -0.406 136.5 20.7 73.4 -86.1 5.2 -31.6 -17.3 37 40 A R T 3 S+ 0 0 181 -2,-1.7 -1,-0.3 1,-0.1 4,-0.2 0.819 125.4 54.7 -83.6 -38.2 1.9 -33.6 -17.5 38 41 A L S X S+ 0 0 19 -3,-1.6 3,-3.1 -5,-0.2 -2,-0.2 0.773 76.7 117.7 -70.2 -30.8 3.1 -36.4 -15.2 39 42 A R T 3 S+ 0 0 11 1,-0.3 -4,-0.1 223,-0.1 3,-0.1 -0.130 88.2 11.8 -39.5 128.1 4.1 -33.9 -12.4 40 43 A F T 3 S+ 0 0 0 108,-0.5 121,-0.3 1,-0.3 -1,-0.3 0.022 107.7 108.8 84.9 -26.8 1.9 -34.8 -9.4 41 44 A K S < S- 0 0 66 -3,-3.1 -1,-0.3 -4,-0.2 3,-0.1 -0.412 83.1 -86.7 -75.3 156.9 0.7 -38.2 -11.0 42 45 A K - 0 0 72 115,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.242 63.6 -80.2 -54.5 149.0 1.8 -41.6 -9.8 43 46 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.409 49.5-135.8 -63.7 123.7 5.1 -42.8 -11.4 44 47 A Q - 0 0 68 -12,-0.4 -12,-2.3 -2,-0.2 -6,-0.0 -0.433 25.7 -96.9 -75.4 153.2 4.5 -44.1 -14.9 45 48 A S - 0 0 97 -14,-0.2 2,-0.5 -2,-0.1 -1,-0.1 -0.125 42.4-109.7 -64.4 167.0 6.1 -47.3 -16.1 46 49 A L - 0 0 37 -16,-0.2 -1,-0.1 -15,-0.1 2,-0.1 -0.899 18.3-128.5-117.9 125.7 9.3 -47.2 -18.2 47 50 A T - 0 0 98 -2,-0.5 -40,-0.1 1,-0.1 -16,-0.0 -0.328 35.1-103.8 -62.9 143.1 9.8 -47.9 -21.9 48 51 A K - 0 0 158 -42,-0.1 2,-0.3 -2,-0.1 -40,-0.2 -0.151 28.7-152.1 -62.6 162.1 12.6 -50.3 -22.9 49 52 A W - 0 0 37 -42,-2.6 -40,-0.3 2,-0.1 4,-0.1 -0.992 8.3-153.8-139.7 136.3 15.9 -49.1 -24.4 50 53 A S S S+ 0 0 130 -2,-0.3 -41,-0.1 -42,-0.1 -42,-0.1 0.638 77.3 60.9 -95.7 -12.0 18.1 -51.1 -26.8 51 54 A D S S- 0 0 107 1,-0.1 -42,-0.7 -43,-0.1 2,-0.4 0.402 98.2 -80.7 -78.7-142.1 21.5 -49.5 -26.0 52 55 A I E -b 9 0A 60 -44,-0.1 2,-0.4 -42,-0.0 -42,-0.2 -1.000 28.0-133.3-133.6 132.6 23.1 -49.4 -22.6 53 56 A W E -b 10 0A 93 -44,-2.3 -42,-3.7 -2,-0.4 2,-1.1 -0.732 18.0-137.9 -80.4 136.6 22.5 -47.1 -19.6 54 57 A N E > -b 11 0A 94 -2,-0.4 2,-2.8 -44,-0.2 3,-0.5 -0.641 23.6-178.9 -95.2 74.9 25.7 -45.8 -18.2 55 58 A A T 3 + 0 0 0 -2,-1.1 -29,-2.4 -44,-0.8 -42,-0.3 -0.184 47.9 108.7 -75.2 53.9 24.8 -46.1 -14.5 56 59 A T T 3 + 0 0 54 -2,-2.8 2,-0.3 -31,-0.2 -1,-0.2 0.390 62.6 60.1-119.4 -4.6 28.2 -44.6 -13.4 57 60 A K S < S- 0 0 172 -3,-0.5 2,-0.3 -31,-0.5 0, 0.0 -0.832 88.4-106.9-108.6 158.4 27.3 -41.2 -12.0 58 61 A Y - 0 0 60 -2,-0.3 2,-0.1 -32,-0.1 3,-0.1 -0.626 46.1-130.2 -69.5 145.9 25.0 -40.4 -9.1 59 62 A A - 0 0 19 -2,-0.3 62,-0.1 1,-0.2 30,-0.1 -0.293 34.5 -59.0 -94.6-176.2 21.7 -39.0 -10.6 60 63 A N - 0 0 42 28,-0.3 31,-0.2 -2,-0.1 25,-0.2 -0.342 43.3-131.4 -66.7 137.7 19.7 -35.9 -9.8 61 64 A S B -m 85 0C 0 23,-1.1 25,-2.1 22,-0.3 58,-0.1 -0.518 37.5-102.2 -72.0 153.4 18.3 -35.3 -6.4 62 65 A a - 0 0 3 56,-0.4 25,-0.2 23,-0.2 56,-0.1 -0.455 50.0 -77.5 -74.2 156.7 14.6 -34.4 -6.5 63 66 A C + 0 0 16 23,-0.2 82,-0.3 22,-0.1 2,-0.3 -0.269 67.0 142.7 -52.9 135.5 13.6 -30.7 -6.1 64 67 A Q - 0 0 4 -3,-0.1 2,-0.3 82,-0.0 53,-0.1 -0.950 54.5 -97.5-168.5 151.1 13.6 -29.3 -2.5 65 68 A N - 0 0 64 -2,-0.3 2,-0.3 51,-0.2 202,-0.0 -0.609 45.8-129.6 -71.2 140.4 14.4 -26.2 -0.6 66 69 A I - 0 0 62 -2,-0.3 2,-0.3 14,-0.1 14,-0.0 -0.727 21.0-104.0 -95.5 146.0 18.0 -26.5 0.8 67 70 A D + 0 0 48 -2,-0.3 3,-0.1 9,-0.2 13,-0.1 -0.501 41.2 171.6 -65.9 124.4 18.8 -25.8 4.5 68 71 A Q + 0 0 157 -2,-0.3 -1,-0.1 1,-0.1 9,-0.0 0.180 43.4 105.3-124.6 19.9 20.5 -22.3 4.8 69 72 A S S S+ 0 0 63 1,-0.3 -1,-0.1 7,-0.1 -2,-0.0 0.809 95.6 21.2 -71.2 -31.9 20.7 -21.7 8.5 70 73 A F S > S- 0 0 34 3,-0.1 3,-2.4 -3,-0.1 6,-0.3 -0.490 80.1-162.4-136.8 68.7 24.4 -22.4 8.7 71 74 A P T 3 S+ 0 0 107 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.270 80.0 15.5 -60.2 132.7 26.1 -22.1 5.3 72 75 A G T 3 S+ 0 0 61 1,-0.3 2,-0.6 2,-0.1 3,-0.1 0.212 92.9 127.3 90.7 -13.1 29.5 -23.8 5.2 73 76 A F X> - 0 0 33 -3,-2.4 4,-2.0 1,-0.2 3,-1.2 -0.683 51.1-154.6 -81.6 120.0 28.7 -25.7 8.4 74 77 A H H 3> S+ 0 0 119 -2,-0.6 4,-2.9 1,-0.3 5,-0.2 0.878 88.1 70.9 -61.2 -40.0 29.4 -29.4 7.8 75 78 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 352,-0.1 0.737 115.9 23.8 -47.5 -27.3 26.9 -30.4 10.5 76 79 A S H X4 S+ 0 0 3 -3,-1.2 3,-0.6 -6,-0.3 4,-0.4 0.634 120.6 56.2-114.1 -25.0 24.1 -29.2 8.3 77 80 A E H 3< S+ 0 0 86 -4,-2.0 3,-0.3 1,-0.2 -3,-0.2 0.727 91.4 70.4 -82.3 -23.7 25.6 -29.5 4.8 78 81 A M T 3< S+ 0 0 25 -4,-2.9 46,-0.3 1,-0.2 -1,-0.2 0.534 105.1 46.8 -64.9 -4.9 26.5 -33.2 5.2 79 82 A W S < S+ 0 0 66 -3,-0.6 -1,-0.2 -5,-0.2 -2,-0.2 0.635 92.6 96.9-108.1 -20.7 22.7 -33.4 5.0 80 83 A N S S- 0 0 24 -4,-0.4 -14,-0.1 -3,-0.3 39,-0.1 -0.334 88.5 -86.9 -72.9 149.1 22.2 -31.1 1.9 81 84 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.206 30.6-162.3 -58.8 145.5 21.8 -32.6 -1.6 82 85 A N + 0 0 83 -3,-0.1 2,-0.3 2,-0.1 -2,-0.0 -0.167 66.6 64.0-125.8 35.7 25.0 -33.2 -3.4 83 86 A T S S- 0 0 36 3,-0.0 -22,-0.3 0, 0.0 3,-0.1 -0.956 98.8 -75.9-151.8 146.3 23.6 -33.5 -6.9 84 87 A D - 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0 0 46 -2,-0.4 -5,-0.0 -3,-0.2 -6,-0.0 -0.106 9.2-161.1 -85.3-178.9 4.8 -23.8 11.7 281 284 A T > - 0 0 40 74,-0.1 3,-1.9 75,-0.1 73,-0.1 -0.885 43.0-103.1-146.7 162.9 7.2 -25.8 13.9 282 285 A P T 3 S+ 0 0 40 0, 0.0 72,-0.1 0, 0.0 48,-0.0 0.660 127.2 48.3 -61.0 -11.6 10.7 -26.8 13.1 283 286 A L T 3 S+ 0 0 22 71,-0.1 2,-0.2 2,-0.0 71,-0.0 0.134 79.2 141.7-109.3 13.4 9.1 -30.3 12.5 284 287 A S < - 0 0 37 -3,-1.9 2,-0.8 1,-0.1 3,-0.1 -0.429 36.8-160.7 -66.5 123.0 6.3 -29.1 10.3 285 288 A V > + 0 0 13 -2,-0.2 3,-0.5 1,-0.2 -1,-0.1 -0.805 12.7 177.6-105.2 89.9 5.6 -31.6 7.5 286 289 A N T 3 S+ 0 0 18 -2,-0.8 2,-0.4 1,-0.3 -1,-0.2 0.845 76.2 24.0 -65.0 -39.8 3.7 -29.5 5.0 287 290 A F T 3 S+ 0 0 6 -3,-0.1 -141,-0.4 -136,-0.1 -1,-0.3 -0.754 86.5 131.8-132.8 90.9 3.4 -32.2 2.4 288 291 A G < - 0 0 2 -3,-0.5 -126,-0.4 -2,-0.4 -58,-0.1 -0.362 60.3 -44.0-112.1-165.3 3.7 -35.6 3.8 289 292 A P - 0 0 0 0, 0.0 -58,-3.6 0, 0.0 2,-0.3 -0.305 52.5-168.8 -62.1 145.4 1.7 -38.9 3.5 290 293 A T B -o 231 0E 4 -60,-0.2 2,-1.1 -3,-0.1 6,-0.4 -0.938 39.7 -94.5-130.7 157.9 -2.1 -38.9 3.6 291 294 A V + 0 0 20 -60,-0.7 8,-0.1 -2,-0.3 6,-0.1 -0.637 52.8 172.9 -64.8 99.7 -4.7 -41.6 3.9 292 295 A D - 0 0 25 -2,-1.1 -137,-0.3 4,-0.2 -1,-0.2 0.545 38.0-130.0 -97.6 -9.3 -5.2 -41.9 0.1 293 296 A G S S+ 0 0 51 3,-1.9 4,-0.1 1,-0.1 -2,-0.1 0.189 99.0 60.1 79.7 -19.6 -7.5 -44.9 -0.2 294 297 A D S S+ 0 0 76 2,-0.2 -85,-0.2 -134,-0.2 3,-0.2 0.847 117.6 18.3 -99.8 -65.5 -5.1 -46.4 -2.8 295 298 A F S S+ 0 0 1 1,-0.3 2,-0.6 -87,-0.1 -86,-0.3 0.980 140.8 31.1 -66.4 -81.2 -1.7 -46.8 -1.1 296 299 A L S S- 0 0 2 -6,-0.4 -3,-1.9 -89,-0.1 -1,-0.3 -0.734 79.3-165.0 -69.9 121.6 -3.0 -46.6 2.5 297 300 A T - 0 0 74 -2,-0.6 2,-0.3 -91,-0.3 -1,-0.1 0.334 68.6 -0.1 -91.6 3.6 -6.5 -48.1 2.1 298 301 A D S S- 0 0 73 0, 0.0 -1,-0.2 0, 0.0 -6,-0.1 -0.915 106.9 -51.4-179.4 156.8 -7.7 -46.8 5.5 299 302 A M >> - 0 0 82 -2,-0.3 4,-1.8 1,-0.2 3,-1.7 -0.182 43.9-149.6 -42.4 122.9 -6.3 -44.7 8.5 300 303 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.894 96.1 71.9 -64.4 -33.9 -3.0 -46.4 9.5 301 304 A D H 3> S+ 0 0 77 1,-0.2 4,-0.5 2,-0.2 -2,-0.1 0.687 108.8 35.2 -58.4 -15.2 -3.7 -45.3 13.0 302 305 A I H <> S+ 0 0 64 -3,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.802 106.9 62.0-103.0 -50.7 -6.5 -48.1 12.9 303 306 A L H <>S+ 0 0 18 -4,-1.8 5,-1.8 2,-0.2 -2,-0.2 0.831 105.8 52.9 -45.1 -36.5 -4.9 -50.8 10.7 304 307 A L H ><5S+ 0 0 9 -4,-2.3 3,-2.6 3,-0.2 -1,-0.2 0.997 107.6 47.5 -64.3 -62.0 -2.3 -51.0 13.4 305 308 A E H 3<5S+ 0 0 84 -4,-0.5 -2,-0.2 1,-0.3 -1,-0.2 0.792 114.8 47.4 -49.3 -36.6 -4.8 -51.4 16.3 306 309 A L T 3<5S- 0 0 107 -4,-2.4 -1,-0.3 2,-0.1 -2,-0.2 0.208 114.0-114.0 -95.6 15.0 -6.6 -54.2 14.4 307 310 A G T < 5 + 0 0 2 -3,-2.6 2,-1.4 1,-0.2 -3,-0.2 0.551 62.7 148.3 70.4 10.6 -3.5 -56.1 13.4 308 311 A Q < + 0 0 122 -5,-1.8 2,-0.3 -6,-0.2 -1,-0.2 -0.624 35.1 92.7 -83.3 91.4 -3.7 -55.5 9.6 309 312 A F S S- 0 0 17 -2,-1.4 -103,-0.2 -3,-0.1 -104,-0.1 -0.967 86.1 -66.1-163.3 166.2 -0.1 -55.4 8.4 310 313 A K - 0 0 31 -105,-2.2 2,-0.8 -2,-0.3 -98,-0.0 -0.380 50.9-136.2 -55.0 128.6 2.6 -57.6 7.0 311 314 A K + 0 0 97 -2,-0.1 2,-0.3 99,-0.0 -1,-0.1 -0.870 54.8 115.0 -98.1 111.3 3.5 -60.1 9.8 312 315 A T - 0 0 9 -2,-0.8 2,-0.1 100,-0.1 -96,-0.1 -0.928 68.3 -69.1-161.8 173.6 7.3 -60.3 9.9 313 316 A Q - 0 0 46 -2,-0.3 -96,-1.0 -98,-0.2 2,-0.3 -0.461 47.0-162.6 -74.9 152.6 10.2 -59.5 12.2 314 317 A I E -ij 217 413B 0 98,-1.9 100,-2.9 -98,-0.2 2,-0.5 -0.998 16.8-155.3-138.5 144.2 11.2 -55.8 12.8 315 318 A L E +ij 218 414B 0 -98,-2.2 -96,-3.0 -2,-0.3 2,-0.3 -0.958 27.0 169.5-112.6 130.8 14.2 -53.9 14.1 316 319 A V E +ij 219 415B 0 98,-2.1 100,-2.0 -2,-0.5 2,-0.3 -0.995 2.7 145.4-145.1 143.2 13.3 -50.6 15.7 317 320 A G E -ij 220 416B 0 -98,-1.5 -96,-2.4 -2,-0.3 -95,-0.3 -0.986 24.0-146.3-166.0 174.1 15.3 -48.0 17.7 318 321 A V E - j 0 417B 0 98,-1.6 100,-2.8 -2,-0.3 2,-0.3 -0.813 24.7-104.0-139.0-178.9 16.0 -44.4 18.7 319 322 A N E > - j 0 418B 0 -2,-0.2 3,-1.1 98,-0.2 100,-0.2 -0.852 26.9-117.2-113.6 148.6 18.9 -42.2 19.8 320 323 A K T 3 S+ 0 0 78 98,-2.0 3,-0.1 -2,-0.3 114,-0.1 0.759 112.6 29.0 -48.5 -33.0 19.7 -40.8 23.2 321 324 A D B >> +p 434 0F 30 112,-2.0 3,-1.0 1,-0.1 114,-0.7 -0.292 66.3 147.1-133.0 52.0 19.2 -37.2 22.0 322 325 A E T <4 S+ 0 0 2 -3,-1.1 113,-0.3 112,-0.3 4,-0.1 0.756 74.0 53.0 -54.3 -28.0 16.6 -37.1 19.1 323 326 A G T >> S+ 0 0 2 64,-0.2 3,-0.9 1,-0.2 4,-0.5 0.620 87.2 73.6 -92.9 -16.0 15.3 -33.7 20.1 324 327 A T G X4 S+ 0 0 8 -3,-1.0 3,-1.6 107,-0.3 4,-0.4 0.897 83.7 68.8 -71.4 -38.8 18.4 -31.5 20.3 325 328 A A G 3< S+ 0 0 13 -4,-0.6 3,-0.4 1,-0.3 -1,-0.3 0.728 101.2 49.0 -47.0 -28.4 18.8 -31.3 16.5 326 329 A F G X4 S+ 0 0 33 -3,-0.9 3,-1.6 1,-0.2 5,-0.3 0.725 89.1 78.7 -93.1 -19.7 15.7 -29.2 16.2 327 330 A L T < - 0 0 4 -4,-0.5 3,-1.7 -5,-0.3 -1,-0.2 -0.592 63.7-124.7 -83.8 112.6 13.9 -22.2 19.9 332 335 A P T 3 S+ 0 0 34 0, 0.0 18,-0.1 0, 0.0 3,-0.1 -0.071 94.3 29.9 -44.7 141.0 14.9 -18.9 21.6 333 336 A G T 3 S+ 0 0 37 1,-0.2 2,-0.4 9,-0.1 -5,-0.1 0.235 94.8 118.0 91.6 -12.2 18.1 -19.1 23.6 334 337 A F < + 0 0 26 -3,-1.7 2,-0.3 -7,-0.2 -1,-0.2 -0.782 27.7 155.2-101.8 131.8 19.6 -21.8 21.4 335 338 A S > - 0 0 40 -2,-0.4 3,-1.3 3,-0.3 5,-0.3 -0.978 43.6-138.2-146.6 134.3 22.8 -21.6 19.3 336 339 A K T 3 S+ 0 0 33 -2,-0.3 95,-0.1 1,-0.2 94,-0.1 0.544 101.6 71.3 -62.6 -1.0 25.2 -24.3 18.0 337 340 A D T 3 S+ 0 0 114 90,-0.1 2,-0.3 91,-0.0 -1,-0.2 0.253 102.0 18.9-113.8 10.8 27.8 -21.8 19.1 338 341 A N S < S- 0 0 92 -3,-1.3 -3,-0.3 90,-0.0 2,-0.0 -0.938 97.6 -78.2-161.0 173.3 27.7 -21.8 22.9 339 342 A N - 0 0 106 -2,-0.3 -3,-0.1 1,-0.1 -5,-0.0 0.277 56.5-139.1 -64.3 12.3 26.5 -24.0 25.7 340 343 A S - 0 0 0 -5,-0.3 -1,-0.1 1,-0.1 -4,-0.0 0.579 29.4-178.3 44.3 25.7 23.0 -22.7 25.0 341 344 A I - 0 0 64 1,-0.1 2,-0.3 41,-0.1 -1,-0.1 -0.294 12.1-160.2 -56.5 132.5 22.0 -22.4 28.7 342 345 A I - 0 0 5 37,-0.4 40,-0.4 3,-0.0 41,-0.3 -0.898 14.3-122.9-129.5 155.5 18.4 -21.2 28.9 343 346 A T > - 0 0 53 -2,-0.3 4,-2.4 39,-0.1 3,-0.2 -0.519 29.5-113.8 -89.0 153.6 16.0 -19.6 31.3 344 347 A R H > S+ 0 0 112 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.874 120.3 54.8 -50.4 -43.8 12.6 -20.9 32.5 345 348 A K H > S+ 0 0 153 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.920 110.7 47.2 -56.3 -42.5 10.9 -18.0 30.7 346 349 A E H > S+ 0 0 41 2,-0.2 4,-3.5 1,-0.2 -2,-0.2 0.821 101.9 61.5 -70.7 -36.5 12.7 -19.2 27.5 347 350 A F H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.877 111.8 41.1 -52.4 -37.5 11.8 -22.8 28.0 348 351 A Q H X S+ 0 0 67 -4,-1.4 4,-1.5 -3,-0.3 -2,-0.2 0.807 107.4 57.9 -85.7 -35.5 8.2 -21.5 27.7 349 352 A E H X S+ 0 0 114 -4,-2.1 4,-0.8 -5,-0.2 3,-0.5 0.964 111.8 47.5 -49.9 -46.6 9.2 -19.3 24.9 350 353 A G H >X S+ 0 0 0 -4,-3.5 4,-1.7 1,-0.2 3,-1.0 0.896 102.4 59.4 -62.7 -47.2 10.3 -22.7 23.5 351 354 A L H 3X S+ 0 0 3 -4,-2.0 4,-1.7 1,-0.3 -1,-0.2 0.802 104.1 51.6 -53.8 -34.2 7.1 -24.6 24.3 352 355 A K H 3< S+ 0 0 114 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.738 106.1 55.5 -76.8 -23.8 5.0 -22.3 22.1 353 356 A I H << S+ 0 0 60 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.2 0.903 118.2 33.2 -69.5 -41.8 7.4 -22.8 19.2 354 357 A F H < S+ 0 0 15 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.1 0.622 130.8 32.1 -93.9 -17.0 7.0 -26.6 19.3 355 358 A F >< + 0 0 8 -4,-1.7 3,-0.5 -5,-0.2 -1,-0.3 -0.652 68.9 151.5-137.0 75.3 3.3 -26.7 20.4 356 359 A P T 3 S+ 0 0 53 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.924 71.1 48.6 -76.7 -41.3 1.7 -23.6 18.9 357 360 A G T 3 S+ 0 0 77 -78,-0.1 2,-0.3 2,-0.0 -5,-0.0 -0.324 93.4 103.8 -94.9 52.2 -1.9 -24.9 18.5 358 361 A V S < S- 0 0 30 -2,-0.8 -3,-0.1 -3,-0.5 173,-0.1 -0.931 71.9 -97.5-134.9 150.6 -2.2 -26.3 22.0 359 362 A S > - 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