==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-AUG-10 3O9M . COMPND 2 MOLECULE: CHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR O.A.ASOJO,M.N.NGAMELUE,K.HOMMA,O.LOCKRIDGE . 1062 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42113.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 688 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 5.7 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 . 2 0.2 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 . 71 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 139 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 287 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.5 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 1 2 2 8 0 0 4 4 0 4 0 1 0 0 0 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 1 4 4 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 PARALLEL BRIDGES PER LADDER . 4 3 3 4 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 0 0 0 0 0 0 0 0 0 2 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 0 102 0, 0.0 11,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 143.1 54.5 30.1 -15.8 2 5 A I E +A 11 0A 83 9,-0.2 2,-0.4 7,-0.0 9,-0.2 -0.976 360.0 179.3-126.5 124.6 54.9 26.9 -17.8 3 6 A I E -A 10 0A 20 7,-2.4 7,-2.9 -2,-0.4 2,-0.6 -0.958 23.4-131.7-123.9 140.1 56.3 23.6 -16.5 4 7 A A E -A 9 0A 64 -2,-0.4 5,-0.2 5,-0.3 2,-0.2 -0.841 23.0-173.4 -96.8 119.3 56.8 20.3 -18.4 5 8 A T E > -A 8 0A 10 3,-2.0 3,-1.5 -2,-0.6 173,-0.1 -0.591 45.7 -95.1 -98.5 167.7 55.5 17.2 -16.6 6 9 A K T 3 S+ 0 0 162 1,-0.3 42,-0.1 -2,-0.2 3,-0.1 0.616 126.1 49.1 -59.3 -15.3 56.1 13.7 -18.0 7 10 A N T 3 S- 0 0 41 1,-0.5 42,-0.8 41,-0.1 -1,-0.3 -0.149 128.7 -69.6-115.1 39.8 52.7 13.9 -19.7 8 11 A G E < -A 5 0A 0 -3,-1.5 -3,-2.0 40,-0.2 -1,-0.5 -0.387 70.0 -49.9 97.7 179.9 53.0 17.2 -21.3 9 12 A K E -Ab 4 52A 93 42,-1.0 44,-2.1 40,-0.3 2,-0.3 -0.466 40.5-156.3-102.4 157.0 53.2 20.8 -20.1 10 13 A V E -Ab 3 53A 0 -7,-2.9 -7,-2.4 42,-0.2 2,-0.5 -0.984 8.2-142.7-134.1 145.1 51.1 22.8 -17.7 11 14 A R E -Ab 2 54A 88 42,-3.3 44,-2.2 -2,-0.3 -9,-0.2 -0.918 22.3-175.1-107.5 131.8 50.4 26.5 -17.2 12 15 A G - 0 0 7 -11,-2.5 2,-0.3 -2,-0.5 13,-0.2 -0.195 17.9-112.9-104.0-165.0 50.0 28.0 -13.7 13 16 A M E -C 24 0B 66 11,-2.4 11,-2.6 42,-0.2 2,-0.6 -0.915 16.9-120.8-131.5 162.4 49.1 31.4 -12.2 14 17 A N E -C 23 0B 102 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.932 29.5-169.9-103.8 118.2 50.9 34.0 -10.2 15 18 A L E -C 22 0B 39 7,-3.1 7,-2.7 -2,-0.6 2,-0.7 -0.853 17.7-133.8-106.2 143.4 49.3 34.7 -6.8 16 19 A T E +C 21 0B 125 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.872 30.1 171.0-104.4 112.5 50.2 37.6 -4.5 17 20 A V E > -C 20 0B 7 3,-1.1 3,-0.9 -2,-0.7 -2,-0.0 -0.967 63.8 -19.6-124.2 115.3 50.6 36.7 -0.9 18 21 A F T 3 S- 0 0 57 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.930 125.3 -47.5 54.4 59.0 52.1 39.0 1.8 19 22 A G T 3 S+ 0 0 94 1,-0.2 -1,-0.2 -3,-0.1 2,-0.2 0.569 129.9 76.3 63.2 11.7 53.9 41.5 -0.5 20 23 A G E < S-C 17 0B 14 -3,-0.9 -3,-1.1 2,-0.0 2,-0.4 -0.618 79.7 -95.7-138.9-168.3 55.4 38.5 -2.4 21 24 A T E -C 16 0B 43 -5,-0.2 77,-0.4 -2,-0.2 2,-0.4 -0.936 20.1-173.6-128.4 139.5 54.5 35.9 -4.9 22 25 A V E -C 15 0B 0 -7,-2.7 -7,-3.1 -2,-0.4 2,-0.6 -1.000 23.2-136.1-125.0 134.6 53.3 32.2 -4.9 23 26 A T E -CD 14 96B 14 73,-2.3 73,-2.7 -2,-0.4 2,-0.4 -0.791 24.3-161.0 -89.5 119.8 53.0 30.2 -8.1 24 27 A A E -CD 13 95B 0 -11,-2.6 -11,-2.4 -2,-0.6 2,-0.3 -0.831 19.5-175.3-106.0 138.1 49.7 28.1 -8.2 25 28 A F > - 0 0 2 69,-2.8 3,-0.6 -2,-0.4 69,-0.5 -0.674 19.4-173.9-128.9 80.9 48.9 25.1 -10.4 26 29 A L B 3 +o 56 0C 19 29,-1.1 31,-0.9 -2,-0.3 67,-0.2 -0.561 58.9 4.9 -77.7 123.4 45.3 24.4 -9.6 27 30 A G T 3 + 0 0 2 -2,-0.4 -1,-0.2 1,-0.2 66,-0.2 0.848 67.0 168.4 82.6 33.4 43.7 21.3 -11.0 28 31 A I E < -E 92 0B 0 64,-2.2 64,-3.0 -3,-0.6 -1,-0.2 -0.650 36.7-123.0 -70.5 130.3 46.3 19.3 -12.9 29 32 A P E +E 91 0B 7 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.474 30.3 178.1 -69.7 151.2 44.9 15.9 -13.8 30 33 A Y + 0 0 8 60,-1.5 16,-0.3 1,-0.2 2,-0.3 0.344 63.6 24.5-134.6 -0.6 46.9 12.9 -12.5 31 34 A A S S- 0 0 3 59,-0.7 14,-0.2 14,-0.2 -1,-0.2 -0.971 88.9 -80.3-155.1 168.1 44.7 10.0 -13.7 32 35 A Q - 0 0 76 12,-3.5 12,-0.4 -2,-0.3 58,-0.1 -0.557 60.9 -94.3 -71.6 136.7 42.2 9.0 -16.3 33 36 A P - 0 0 39 0, 0.0 2,-2.2 0, 0.0 5,-0.2 -0.346 33.3-131.2 -54.7 121.0 38.6 10.1 -15.5 34 37 A P + 0 0 5 0, 0.0 6,-0.2 0, 0.0 2,-0.1 -0.183 61.0 137.1 -73.3 47.2 37.0 7.1 -13.6 35 38 A L > - 0 0 83 -2,-2.2 3,-2.3 3,-0.2 2,-0.3 -0.425 57.5 -13.1 -90.9 162.1 33.9 7.3 -15.9 36 39 A G G > S+ 0 0 48 1,-0.3 3,-0.6 2,-0.2 0, 0.0 -0.253 138.7 8.0 55.3-108.2 31.8 4.7 -17.6 37 40 A R G 3 S+ 0 0 165 -2,-0.3 -1,-0.3 1,-0.2 225,-0.0 0.826 127.7 62.3 -71.6 -33.7 33.7 1.4 -17.5 38 41 A L G X S+ 0 0 34 -3,-2.3 3,-2.0 -5,-0.2 -1,-0.2 0.558 73.2 119.1 -74.0 -10.0 36.4 2.8 -15.2 39 42 A R T < S+ 0 0 12 -3,-0.6 -4,-0.1 1,-0.3 3,-0.1 -0.330 84.6 9.2 -61.5 137.6 34.0 3.5 -12.4 40 43 A F T 3 S+ 0 0 1 108,-0.5 121,-0.4 1,-0.3 -1,-0.3 0.391 105.9 111.7 78.2 -6.9 34.9 1.5 -9.3 41 44 A K S < S- 0 0 51 -3,-2.0 -1,-0.3 118,-0.1 117,-0.1 -0.498 82.3 -83.6 -92.1 168.1 38.3 0.4 -10.8 42 45 A K - 0 0 80 115,-0.3 2,-0.2 -2,-0.1 -1,-0.1 -0.365 64.8 -85.2 -62.0 153.1 41.8 1.4 -9.6 43 46 A P - 0 0 18 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.469 44.7-139.9 -66.5 132.7 42.7 4.8 -11.2 44 47 A Q - 0 0 69 -12,-0.4 -12,-3.5 -2,-0.2 -6,-0.0 -0.713 22.3-107.5 -93.2 147.7 44.3 4.3 -14.6 45 48 A S - 0 0 83 -2,-0.3 2,-0.2 -14,-0.2 -14,-0.2 -0.106 30.5-108.2 -73.1 165.1 47.2 6.4 -15.7 46 49 A L - 0 0 42 -16,-0.3 2,-0.3 -14,-0.1 -1,-0.1 -0.591 20.5-137.9 -90.2 155.4 47.2 9.3 -18.2 47 50 A T - 0 0 115 -2,-0.2 -40,-0.1 1,-0.2 -16,-0.0 -0.788 42.9 -76.0-102.4 156.3 48.8 9.3 -21.7 48 51 A K - 0 0 129 -2,-0.3 2,-0.4 -42,-0.1 -40,-0.2 0.016 38.0-148.1 -43.8 145.2 50.7 12.3 -23.0 49 52 A W - 0 0 34 -42,-0.8 -40,-0.3 2,-0.1 4,-0.1 -0.996 6.5-146.1-121.4 135.0 49.0 15.5 -24.2 50 53 A S S S+ 0 0 123 -2,-0.4 -1,-0.1 -42,-0.1 -42,-0.1 0.690 76.6 41.4 -70.0 -24.4 50.6 17.5 -27.1 51 54 A D S S- 0 0 104 1,-0.1 -42,-1.0 -42,-0.1 2,-0.4 0.202 97.6 -66.5-103.9-144.4 49.6 21.0 -25.9 52 55 A I E -b 9 0A 59 -44,-0.1 2,-0.6 -48,-0.0 -42,-0.2 -0.957 34.5-138.1-119.0 132.8 49.4 23.0 -22.7 53 56 A W E -b 10 0A 86 -44,-2.1 -42,-3.3 -2,-0.4 2,-1.3 -0.825 16.3-135.5 -90.2 123.7 47.1 22.3 -19.8 54 57 A N E +b 11 0A 98 -2,-0.6 2,-1.0 -44,-0.2 3,-0.3 -0.645 27.3 178.2 -76.9 94.1 45.6 25.5 -18.3 55 58 A A + 0 0 0 -44,-2.2 -29,-1.1 -2,-1.3 -42,-0.2 -0.449 40.4 116.1 -96.9 63.0 46.0 24.6 -14.5 56 59 A T B +o 26 0C 55 -2,-1.0 2,-0.3 -31,-0.2 -1,-0.2 0.236 63.4 41.7-125.1 6.5 44.5 27.9 -13.3 57 60 A K S S- 0 0 160 -31,-0.9 -1,-0.1 -3,-0.3 2,-0.0 -0.983 90.3 -88.8-151.4 152.0 41.4 27.1 -11.4 58 61 A Y - 0 0 55 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.320 48.0-132.9 -54.3 134.2 40.3 24.4 -8.9 59 62 A A - 0 0 23 1,-0.2 2,-0.2 30,-0.1 62,-0.1 -0.061 41.1 -55.3 -80.0-170.7 38.9 21.3 -10.7 60 63 A N - 0 0 49 28,-0.3 25,-0.2 -33,-0.1 31,-0.2 -0.468 50.9-126.8 -72.1 131.7 35.7 19.4 -9.9 61 64 A S B -p 85 0D 0 23,-0.7 25,-1.7 -2,-0.2 2,-0.2 -0.298 38.0 -97.1 -60.8 164.8 35.1 18.1 -6.5 62 65 A a - 0 0 3 56,-0.4 25,-0.2 23,-0.2 2,-0.2 -0.496 47.3 -80.6 -94.4 155.4 34.3 14.5 -6.4 63 66 A C S S+ 0 0 17 23,-0.5 82,-0.4 -2,-0.2 2,-0.3 -0.377 70.1 134.7 -65.1 127.2 30.8 13.1 -6.1 64 67 A Q - 0 0 6 -2,-0.2 2,-0.2 80,-0.1 53,-0.1 -0.966 55.7 -92.1-162.2 160.4 29.4 13.2 -2.6 65 68 A N - 0 0 61 51,-0.4 2,-0.3 -2,-0.3 206,-0.0 -0.597 41.8-129.7 -80.2 146.3 26.3 14.1 -0.5 66 69 A I - 0 0 74 -2,-0.2 2,-0.8 14,-0.1 -1,-0.0 -0.689 16.6-112.7 -97.5 151.5 26.2 17.6 0.9 67 70 A D + 0 0 43 -2,-0.3 3,-0.2 9,-0.2 13,-0.1 -0.753 38.0 169.4 -80.6 105.8 25.4 18.6 4.5 68 71 A Q + 0 0 144 -2,-0.8 -1,-0.1 1,-0.2 9,-0.0 -0.004 44.5 104.3-106.7 30.8 22.0 20.4 4.6 69 72 A S S S+ 0 0 61 1,-0.3 -1,-0.2 4,-0.0 -2,-0.0 0.872 91.2 26.8 -76.5 -37.1 21.4 20.5 8.3 70 73 A F S > S- 0 0 36 -3,-0.2 3,-1.2 3,-0.1 6,-0.3 -0.703 80.4-159.2-130.5 83.8 22.3 24.2 8.6 71 74 A P T 3 S+ 0 0 102 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.385 79.2 7.8 -71.2 131.6 21.6 26.0 5.4 72 75 A G T 3 S+ 0 0 61 1,-0.2 2,-0.4 -2,-0.1 3,-0.0 0.078 95.8 129.2 86.8 -23.2 23.5 29.3 5.1 73 76 A F X> - 0 0 36 -3,-1.2 4,-2.0 1,-0.2 3,-1.0 -0.532 51.0-153.4 -73.3 118.9 25.4 28.6 8.3 74 77 A H H 3> S+ 0 0 123 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.850 87.6 70.1 -55.7 -39.1 29.2 29.0 7.7 75 78 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.791 116.0 22.1 -56.7 -33.2 30.1 26.5 10.4 76 79 A S H X4 S+ 0 0 1 -3,-1.0 3,-1.0 -6,-0.3 4,-0.3 0.711 120.6 59.4-101.6 -28.2 28.8 23.6 8.4 77 80 A E H >< S+ 0 0 76 -4,-2.0 3,-1.2 1,-0.3 -2,-0.2 0.795 88.3 70.1 -78.2 -28.8 29.0 25.1 4.9 78 81 A M T 3< S+ 0 0 25 -4,-2.6 46,-0.3 1,-0.3 -1,-0.3 0.617 100.5 52.9 -62.2 -11.2 32.8 25.8 4.9 79 82 A W T < S+ 0 0 61 -3,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.595 89.5 94.1-100.1 -17.3 33.1 22.0 4.8 80 83 A N S < S- 0 0 25 -3,-1.2 -14,-0.1 -4,-0.3 39,-0.1 -0.434 90.2 -89.6 -69.5 147.0 30.9 21.6 1.7 81 84 A P - 0 0 22 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.145 28.7-156.9 -63.7 158.0 32.5 21.4 -1.7 82 85 A N + 0 0 83 2,-0.1 2,-0.3 -3,-0.1 -24,-0.1 0.027 69.7 53.3-131.7 23.2 33.0 24.6 -3.6 83 86 A T S S- 0 0 37 0, 0.0 -23,-0.1 0, 0.0 -24,-0.1 -0.937 101.9 -67.5-140.2 167.6 33.3 23.5 -7.2 84 87 A D - 0 0 129 -2,-0.3 -23,-0.7 1,-0.1 2,-0.2 -0.331 48.9-121.5 -54.9 134.2 30.9 21.3 -9.3 85 88 A L B +p 61 0D 63 -25,-0.2 2,-0.3 -4,-0.1 -23,-0.2 -0.534 45.5 155.9 -68.6 135.9 30.7 17.7 -8.3 86 89 A S - 0 0 37 -25,-1.7 -23,-0.5 -2,-0.2 0, 0.0 -0.954 54.7-128.7-158.5 146.0 31.7 15.3 -11.1 87 90 A E S S+ 0 0 27 -2,-0.3 2,-1.7 -25,-0.2 3,-0.4 0.745 104.7 80.9 -62.4 -26.3 32.9 11.7 -11.4 88 91 A D + 0 0 41 1,-0.2 -28,-0.3 -55,-0.2 -1,-0.2 -0.635 65.6 120.1 -79.7 87.8 35.5 13.5 -13.6 89 92 A a + 0 0 0 -2,-1.7 2,-1.9 -30,-0.1 -1,-0.2 0.556 15.7 115.1-136.0 -22.4 37.3 14.4 -10.4 90 93 A L + 0 0 2 -3,-0.4 -60,-1.5 51,-0.1 -59,-0.7 -0.404 47.0 128.5 -73.1 83.8 40.9 13.1 -10.1 91 94 A Y E -E 29 0B 25 -2,-1.9 51,-2.2 -62,-0.2 2,-0.3 -0.912 39.1-153.9-135.2 158.1 42.9 16.3 -10.1 92 95 A L E -EF 28 141B 0 -64,-3.0 -64,-2.2 -2,-0.3 2,-0.3 -0.948 5.3-142.8-136.7 154.3 45.6 17.9 -7.9 93 96 A N E - F 0 140B 3 47,-3.0 47,-1.4 -2,-0.3 2,-0.3 -0.752 11.3-167.0-114.1 164.5 46.9 21.3 -7.0 94 97 A V E - F 0 139B 0 -69,-0.5 -69,-2.8 -2,-0.3 2,-0.4 -0.975 5.6-163.0-151.5 131.9 50.4 22.6 -6.3 95 98 A W E -DF 24 138B 2 43,-2.6 43,-1.7 -2,-0.3 -71,-0.2 -0.986 10.5-165.8-119.7 136.2 51.7 25.8 -4.8 96 99 A I E -D 23 0B 5 -73,-2.7 -73,-2.3 -2,-0.4 41,-0.1 -0.942 23.0-111.0-120.7 136.0 55.3 26.8 -5.3 97 100 A P - 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0 0 37 74,-0.1 3,-1.8 75,-0.0 73,-0.1 -0.952 38.3-127.0-138.9 145.7 25.4 6.8 13.8 282 285 A P T 3 S+ 0 0 40 0, 0.0 72,-0.1 0, 0.0 -2,-0.0 0.650 114.4 54.6 -59.9 -14.5 26.6 10.4 13.2 283 286 A L T 3 S+ 0 0 20 71,-0.1 2,-0.2 2,-0.0 71,-0.0 -0.032 81.3 146.4-104.6 25.5 30.1 8.8 12.9 284 287 A S < - 0 0 33 -3,-1.8 2,-0.6 1,-0.1 3,-0.1 -0.490 33.2-168.2 -71.0 129.5 28.9 6.4 10.2 285 288 A V + 0 0 16 -2,-0.2 3,-0.4 1,-0.2 -1,-0.1 -0.867 9.7 179.6-113.3 91.1 31.5 5.5 7.6 286 289 A N S S+ 0 0 15 -2,-0.6 2,-0.5 1,-0.3 -1,-0.2 0.918 73.7 19.3 -65.7 -47.2 29.2 3.8 5.1 287 290 A F S S+ 0 0 6 -3,-0.1 -141,-0.3 -136,-0.1 -1,-0.3 -0.876 87.5 141.5-124.5 100.0 31.9 3.0 2.5 288 291 A G - 0 0 1 -2,-0.5 -126,-0.4 -3,-0.4 -58,-0.1 -0.476 52.6 -46.0-115.6-167.5 35.4 3.1 3.8 289 292 A P - 0 0 0 0, 0.0 -58,-2.9 0, 0.0 2,-0.3 -0.267 54.4-177.3 -54.4 143.0 38.8 1.4 3.6 290 293 A T B -r 231 0F 2 -60,-0.2 2,-1.2 -3,-0.1 6,-0.2 -0.882 41.5 -87.5-137.3 169.5 38.8 -2.4 3.8 291 294 A V + 0 0 18 -60,-0.5 8,-0.1 -2,-0.3 6,-0.1 -0.692 52.5 167.9 -78.6 99.9 41.5 -5.1 3.8 292 295 A D - 0 0 27 -2,-1.2 -1,-0.2 6,-0.1 5,-0.1 0.593 44.5-125.1 -94.9 -7.9 41.8 -5.6 0.0 293 296 A G S S+ 0 0 52 3,-2.3 4,-0.1 1,-0.1 -1,-0.1 0.162 101.3 62.2 81.6 -21.6 45.0 -7.7 -0.3 294 297 A D S S+ 0 0 82 2,-0.2 -85,-0.3 -134,-0.2 3,-0.2 0.854 115.2 16.6-100.4 -76.1 46.3 -5.0 -2.6 295 298 A F S S+ 0 0 1 1,-0.3 2,-0.6 -134,-0.1 -86,-0.3 0.925 141.1 34.0 -62.9 -47.4 46.7 -1.6 -0.9 296 299 A L - 0 0 0 -6,-0.2 -3,-2.3 -89,-0.1 -1,-0.3 -0.944 70.0-170.5-108.5 112.8 46.5 -3.3 2.5 297 300 A T + 0 0 77 -2,-0.6 2,-0.3 -91,-0.3 -1,-0.1 0.606 69.6 3.3 -78.3 -9.0 48.0 -6.8 2.5 298 301 A D S S- 0 0 74 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 -0.987 100.4 -56.0-164.0 166.6 46.7 -7.8 6.0 299 302 A M >> - 0 0 98 -2,-0.3 4,-1.8 1,-0.2 3,-1.0 -0.350 50.2-134.5 -50.9 121.4 44.5 -6.7 8.9 300 303 A P H 3> S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.802 100.6 63.3 -55.7 -31.3 46.0 -3.3 9.9 301 304 A D H 3> S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.905 106.7 43.2 -57.5 -44.8 46.0 -4.3 13.7 302 305 A I H <> S+ 0 0 73 -3,-1.0 4,-1.8 2,-0.2 6,-0.2 0.932 112.5 53.1 -62.4 -50.0 48.4 -7.2 13.1 303 306 A L H <>S+ 0 0 18 -4,-1.8 5,-2.5 1,-0.2 -2,-0.2 0.901 113.5 42.9 -56.7 -41.3 50.6 -5.1 10.8 304 307 A L H ><5S+ 0 0 7 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.918 112.7 52.7 -69.2 -46.7 50.9 -2.4 13.4 305 308 A E H 3<5S+ 0 0 108 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.729 111.5 46.4 -63.0 -24.0 51.4 -4.8 16.3 306 309 A L T 3<5S- 0 0 96 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.203 113.2-113.8-108.9 16.5 54.2 -6.5 14.5 307 310 A G T < 5 + 0 0 2 -3,-1.5 2,-1.4 1,-0.2 -3,-0.2 0.726 63.5 149.6 60.4 28.6 56.0 -3.4 13.5 308 311 A Q < + 0 0 118 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.696 39.3 92.7 -90.9 80.3 55.4 -3.9 9.7 309 312 A F S S- 0 0 17 -2,-1.4 2,-0.3 -3,-0.1 -103,-0.2 -0.977 87.3 -63.5-157.6 170.3 55.3 -0.3 8.7 310 313 A K - 0 0 28 -105,-3.0 2,-0.7 -2,-0.3 -105,-0.0 -0.417 49.8-136.9 -60.1 121.3 57.4 2.5 7.3 311 314 A K + 0 0 97 -2,-0.3 2,-0.3 99,-0.0 -1,-0.1 -0.759 55.2 110.2 -84.6 117.0 59.9 3.4 9.9 312 315 A T - 0 0 10 -2,-0.7 2,-0.1 100,-0.1 -96,-0.1 -0.964 69.7 -71.0-168.5 177.3 60.1 7.1 10.2 313 316 A Q - 0 0 49 -2,-0.3 -96,-1.1 -98,-0.2 2,-0.3 -0.506 47.4-170.3 -79.5 160.2 59.2 10.1 12.4 314 317 A I E -jk 217 413B 0 98,-1.4 100,-1.8 -98,-0.2 2,-0.5 -0.990 18.8-149.9-151.6 150.2 55.6 11.1 12.9 315 318 A L E +jk 218 414B 0 -98,-1.6 -96,-3.3 -2,-0.3 2,-0.3 -0.985 24.5 174.7-122.9 126.6 53.6 13.9 14.4 316 319 A V E +jk 219 415B 1 98,-3.3 100,-1.8 -2,-0.5 2,-0.3 -0.981 5.6 149.4-137.0 146.4 50.2 13.1 15.9 317 320 A G E -jk 220 416B 0 -98,-1.7 -96,-2.4 -2,-0.3 -95,-0.3 -0.987 21.7-153.3-168.1 168.3 47.7 15.1 17.8 318 321 A V E - k 0 417B 0 98,-1.7 100,-3.0 -2,-0.3 2,-0.3 -0.861 25.4-102.8-143.0 178.3 44.1 15.8 18.7 319 322 A N E > - k 0 418B 0 -2,-0.3 3,-1.2 98,-0.2 100,-0.2 -0.802 28.2-114.5-110.6 149.8 41.8 18.6 19.8 320 323 A K T 3 S+ 0 0 87 98,-2.0 3,-0.1 -2,-0.3 114,-0.1 0.788 113.4 27.0 -42.4 -37.4 40.3 19.4 23.3 321 324 A D B 3> +s 434 0G 29 112,-1.7 114,-0.7 1,-0.1 4,-0.5 -0.335 66.2 148.2-134.6 54.3 36.8 18.8 22.0 322 325 A E T <4 S+ 0 0 1 -3,-1.2 113,-0.4 112,-0.2 3,-0.4 0.857 74.6 54.7 -53.0 -36.3 36.8 16.3 19.1 323 326 A G T >> S+ 0 0 2 64,-0.2 3,-1.1 1,-0.2 4,-0.5 0.794 86.5 73.8 -77.1 -32.1 33.4 14.9 20.1 324 327 A T H >> S+ 0 0 7 -3,-0.5 3,-1.6 1,-0.2 4,-0.6 0.834 82.9 69.3 -52.7 -43.1 31.1 18.0 20.2 325 328 A A H >< S+ 0 0 15 -4,-0.5 3,-0.7 -3,-0.4 -1,-0.2 0.856 101.7 48.4 -44.6 -42.1 30.9 18.5 16.4 326 329 A F H X4 S+ 0 0 34 -3,-1.1 3,-1.9 -4,-0.3 5,-0.3 0.701 90.5 77.2 -77.0 -21.8 28.8 15.3 16.2 327 330 A L H < - 0 0 6 -4,-1.3 3,-1.5 -5,-0.3 -1,-0.3 -0.724 63.3-115.8 -87.9 128.1 21.7 13.6 19.8 332 335 A P T 3 S+ 0 0 48 0, 0.0 18,-0.2 0, 0.0 3,-0.1 -0.237 95.6 23.1 -65.4 141.2 18.5 14.6 21.7 333 336 A G T 3 S+ 0 0 33 1,-0.3 2,-0.4 9,-0.1 -5,-0.1 0.321 97.6 117.0 89.8 -7.5 18.6 17.9 23.6 334 337 A F < + 0 0 23 -3,-1.5 2,-0.3 -7,-0.2 -1,-0.3 -0.772 29.0 152.9-101.0 136.6 21.5 19.3 21.4 335 338 A S - 0 0 32 -2,-0.4 3,-0.4 3,-0.3 5,-0.2 -0.953 46.8-132.6-157.4 141.7 21.3 22.4 19.2 336 339 A K S S+ 0 0 36 -2,-0.3 94,-0.1 1,-0.2 95,-0.1 0.681 108.6 55.9 -65.4 -13.4 23.9 24.9 17.9 337 340 A D S S+ 0 0 124 90,-0.1 2,-0.2 91,-0.1 -1,-0.2 0.753 105.4 44.2 -97.8 -29.2 21.3 27.6 18.9 338 341 A N S S- 0 0 92 -3,-0.4 -3,-0.3 90,-0.0 0, 0.0 -0.622 93.4-106.0-101.9 170.1 20.7 26.8 22.6 339 342 A N - 0 0 102 -2,-0.2 -3,-0.1 -5,-0.1 -5,-0.0 0.160 48.2-132.9 -85.2 19.2 23.4 26.1 25.2 340 343 A S + 0 0 2 -5,-0.2 2,-0.2 1,-0.2 -1,-0.0 0.592 32.6 179.9 44.7 32.6 22.2 22.5 25.1 341 344 A I - 0 0 64 42,-0.1 2,-0.3 41,-0.1 -1,-0.2 -0.475 16.5-165.5 -57.4 124.1 22.0 21.7 28.9 342 345 A I - 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0 0 2 -4,-1.8 3,-1.6 1,-0.2 4,-1.1 -0.522 57.7-157.2 -77.8 114.0 69.7 23.5 63.2 740 211 B P G >4 S+ 0 0 71 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.931 96.0 55.2 -50.7 -47.5 72.0 21.0 64.9 741 212 B G G 34 S+ 0 0 44 85,-0.3 3,-0.2 1,-0.2 -2,-0.1 0.708 111.1 44.2 -57.5 -22.8 70.2 21.4 68.1 742 213 B S G X4 S+ 0 0 0 -3,-1.6 3,-2.8 -6,-0.2 4,-0.4 0.606 85.1 103.5 -94.9 -11.5 66.9 20.5 66.4 743 214 B H T << S+ 0 0 102 -3,-1.2 3,-0.2 -4,-1.1 -1,-0.1 0.680 89.4 30.9 -49.6 -35.7 68.4 17.6 64.5 744 215 B S T 3 S+ 0 0 85 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.190 97.9 86.3-113.2 19.4 67.0 14.8 66.7 745 216 B L S < S+ 0 0 15 -3,-2.8 2,-0.3 -9,-0.1 -2,-0.2 0.540 97.7 14.7 -97.7 -4.1 63.8 16.5 67.8 746 217 B F - 0 0 6 -4,-0.4 -24,-0.2 -3,-0.2 3,-0.1 -0.938 58.8-139.2-157.1 172.0 61.6 15.4 64.7 747 218 B T S S+ 0 0 29 -26,-4.0 2,-0.3 1,-0.3 -25,-0.2 0.839 76.6 6.6-106.0 -52.1 61.6 13.0 61.8 748 219 B R E -b 722 0I 38 -27,-1.5 -25,-2.3 96,-0.1 2,-0.4 -0.884 62.5-138.3-134.0 166.7 60.2 14.7 58.6 749 220 B A E -bc 723 846I 0 96,-1.1 98,-1.5 -2,-0.3 2,-0.4 -0.957 5.4-162.0-134.6 145.9 59.2 18.2 57.7 750 221 B I E -bc 724 847I 0 -27,-2.7 -25,-1.0 -2,-0.4 2,-0.5 -0.993 12.3-161.9-124.8 133.5 56.3 19.7 55.6 751 222 B L E -bc 725 848I 0 96,-3.6 98,-1.7 -2,-0.4 2,-0.6 -0.927 3.8-168.8-128.9 107.4 56.6 23.2 54.3 752 223 B Q E S-bc 726 849I 0 -27,-2.3 -25,-2.3 -2,-0.5 -22,-0.4 -0.836 70.1 -25.3-106.1 117.6 53.6 25.2 53.2 753 224 B S S S+ 0 0 0 96,-2.8 -1,-0.2 -2,-0.6 2,-0.2 0.922 119.0 57.8 47.1 53.6 54.2 28.5 51.3 754 225 B G + 0 0 2 95,-0.3 2,-0.3 -3,-0.3 95,-0.1 -0.736 44.0 178.3 167.1 158.4 57.7 29.3 52.6 755 226 B S > - 0 0 1 -2,-0.2 3,-2.1 -22,-0.1 -24,-0.3 -0.978 45.0-101.3-165.5 154.9 61.3 28.5 53.2 756 227 B F T 3 S+ 0 0 4 -25,-0.3 6,-0.2 1,-0.3 77,-0.1 0.672 113.1 65.3 -62.2 -17.2 64.4 30.1 54.7 757 228 B N T 3 S+ 0 0 38 173,-0.1 -1,-0.3 4,-0.1 176,-0.0 0.336 74.8 117.6 -89.5 8.6 65.9 31.2 51.4 758 229 B A S X> S- 0 0 6 -3,-2.1 3,-1.9 1,-0.1 4,-0.6 -0.497 80.2-113.9 -74.5 148.2 63.0 33.5 50.7 759 230 B P T 34 S+ 0 0 58 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.811 116.1 45.8 -55.5 -29.6 64.0 37.2 50.4 760 231 B W T 34 S+ 0 0 20 166,-0.2 -4,-0.1 1,-0.1 -3,-0.1 0.588 96.9 75.1 -84.8 -11.8 62.0 38.0 53.6 761 232 B A T <4 S+ 0 0 1 -3,-1.9 2,-0.5 -6,-0.2 -1,-0.1 0.814 88.2 42.5 -86.0 -32.1 63.1 35.1 55.9 762 233 B V < - 0 0 41 -4,-0.6 2,-0.4 -6,-0.2 60,-0.2 -0.965 62.4-151.3-125.9 133.4 66.6 35.8 57.2 763 234 B T - 0 0 10 58,-3.0 60,-0.5 -2,-0.5 2,-0.1 -0.792 26.4-117.3 -98.0 134.7 68.0 39.0 58.4 764 235 B S > - 0 0 46 -2,-0.4 4,-2.3 58,-0.1 5,-0.3 -0.383 23.9-110.8 -73.8 152.4 71.8 39.7 58.0 765 236 B L H > S+ 0 0 85 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.757 118.8 49.0 -51.7 -30.6 74.1 40.1 61.0 766 237 B Y H >> S+ 0 0 170 2,-0.2 4,-2.7 3,-0.1 3,-0.8 0.979 111.1 45.8 -72.2 -62.5 74.6 43.8 60.1 767 238 B E H 3> S+ 0 0 85 1,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.798 110.5 54.7 -52.4 -35.2 70.8 44.7 59.6 768 239 B A H 3X S+ 0 0 5 -4,-2.3 4,-1.1 2,-0.2 -84,-0.5 0.871 112.4 43.4 -65.9 -39.3 69.8 43.0 62.9 769 240 B R H <>S+ 0 0 1 -4,-2.3 5,-2.7 2,-0.2 3,-1.2 0.946 113.3 49.0 -49.5 -54.9 67.1 51.9 71.2 777 248 B K H ><5S+ 0 0 159 -4,-2.8 3,-2.4 1,-0.2 -2,-0.2 0.961 109.0 52.4 -47.5 -57.1 67.2 55.4 69.6 778 249 B L H 3<5S+ 0 0 73 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.598 116.2 40.4 -63.7 -10.9 63.4 55.4 69.0 779 250 B T T <<5S- 0 0 9 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.220 116.4-107.8-119.8 15.1 62.8 54.5 72.7 780 251 B G T < 5S+ 0 0 53 -3,-2.4 -3,-0.2 -4,-0.3 -2,-0.1 0.965 85.5 121.6 57.9 54.3 65.5 56.8 74.2 781 252 B e < + 0 0 0 -5,-2.7 -4,-0.2 -8,-0.2 11,-0.2 0.384 24.0 130.6-128.7 -0.3 67.6 53.8 75.0 782 253 B S + 0 0 68 -6,-0.5 2,-0.2 -5,-0.1 4,-0.0 -0.317 30.5 157.3 -61.4 138.4 70.9 54.5 73.2 783 254 B R - 0 0 114 1,-0.2 3,-0.1 3,-0.0 -1,-0.1 -0.603 47.4-119.4-139.0-160.0 73.9 54.0 75.4 784 255 B E S S+ 0 0 167 1,-0.3 -1,-0.2 -2,-0.2 5,-0.1 0.629 96.8 64.2-113.3 -75.8 77.6 53.2 75.3 785 256 B N S >> S- 0 0 109 1,-0.2 4,-0.8 2,-0.1 3,-0.7 -0.350 80.6-146.4 -47.0 116.7 78.0 49.9 77.3 786 257 B E H >> S+ 0 0 56 1,-0.2 3,-1.9 2,-0.2 4,-1.0 0.951 95.7 59.4 -57.9 -50.8 76.0 47.6 75.0 787 258 B T H 3> S+ 0 0 68 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.744 99.0 60.7 -51.7 -25.7 74.6 45.5 77.9 788 259 B E H <> S+ 0 0 91 -3,-0.7 4,-1.7 2,-0.2 -1,-0.3 0.819 95.6 60.7 -73.8 -30.1 73.1 48.8 79.3 789 260 B I H X S+ 0 0 19 -4,-1.7 4,-1.0 -11,-0.2 3,-0.8 0.887 116.5 47.2 -76.5 -41.9 66.9 49.9 79.4 793 264 B L H >< S+ 0 0 0 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.892 105.9 59.5 -62.9 -38.9 64.9 48.0 76.7 794 265 B R T 3< S+ 0 0 34 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.631 108.0 47.5 -66.4 -13.6 64.2 45.3 79.2 795 266 B N T <4 S+ 0 0 133 -3,-0.8 -1,-0.2 -4,-0.2 -2,-0.2 0.659 88.5 102.4-101.4 -23.8 62.4 48.0 81.3 796 267 B K S << S- 0 0 55 -4,-1.0 -3,-0.0 -3,-0.6 -17,-0.0 -0.166 85.5 -91.5 -58.8 154.7 60.3 49.6 78.6 797 268 B D >> - 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