==== 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 DEHYDROGENASE 25-DEC-96 1LDE . COMPND 2 MOLECULE: LIVER ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR S.RAMASWAMY,B.V.PLAPP . 1496 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58200.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 998 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 196 13.1 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 97 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 166 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 271 18.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 40 2.7 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 12 0 3 1 8 5 7 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 4 12 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 13 8 3 4 0 6 2 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 2 2 6 0 0 0 0 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 1 A S 0 0 138 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -59.6 5.5 -30.1 7.1 2 2 A T > + 0 0 50 72,-0.1 3,-1.8 2,-0.0 73,-0.1 0.532 360.0 123.8 -90.4 -10.3 7.7 -28.1 9.4 3 3 A A T 3 S+ 0 0 54 1,-0.3 3,-0.1 71,-0.1 72,-0.1 -0.223 75.1 13.4 -54.5 142.4 4.6 -26.1 10.6 4 4 A G T 3 S+ 0 0 64 1,-0.2 2,-0.3 27,-0.1 -1,-0.3 0.582 113.3 98.5 70.2 12.8 3.8 -26.0 14.3 5 5 A K S < S- 0 0 120 -3,-1.8 -1,-0.2 24,-0.1 23,-0.1 -0.967 81.1-101.8-136.8 149.7 7.3 -27.5 15.0 6 6 A V - 0 0 77 -2,-0.3 2,-0.3 -3,-0.1 23,-0.2 -0.397 37.7-148.0 -61.8 143.6 10.7 -26.3 16.1 7 7 A I E -A 28 0A 12 21,-1.9 21,-2.3 -2,-0.0 2,-0.4 -0.899 1.2-147.2-113.2 147.5 13.1 -26.1 13.2 8 8 A K E +A 27 0A 138 -2,-0.3 2,-0.3 19,-0.2 19,-0.2 -0.947 39.5 139.7-110.5 138.7 16.8 -26.8 13.6 9 9 A C E -A 26 0A 10 17,-2.4 17,-2.8 -2,-0.4 2,-0.3 -0.944 51.3 -80.3-167.0 174.2 18.9 -24.7 11.1 10 10 A K E +A 25 0A 71 -2,-0.3 138,-2.6 15,-0.2 139,-0.4 -0.656 43.0 166.3 -92.1 140.8 22.1 -22.7 10.7 11 11 A A E -AB 24 147A 0 13,-1.9 13,-2.3 -2,-0.3 2,-0.8 -0.960 40.1-117.1-149.7 149.7 22.3 -19.1 11.8 12 12 A A E -A 23 0A 0 134,-3.1 53,-0.5 -2,-0.3 2,-0.3 -0.883 37.7-160.1 -98.5 109.1 25.3 -16.8 12.2 13 13 A V E -AC 22 64A 0 9,-2.3 9,-2.9 -2,-0.8 2,-0.7 -0.716 13.2-147.7 -93.4 144.6 25.4 -16.1 16.0 14 14 A L E + C 0 63A 0 49,-2.4 49,-2.5 -2,-0.3 3,-0.1 -0.959 20.1 176.3-106.7 106.9 27.2 -13.1 17.5 15 15 A W - 0 0 55 -2,-0.7 2,-0.3 5,-0.4 -1,-0.2 0.856 64.6 -5.8 -86.5 -29.0 28.4 -14.2 20.8 16 16 A E S > S- 0 0 113 4,-0.2 3,-1.0 45,-0.1 -1,-0.3 -0.980 85.0 -82.7-159.0 152.5 30.4 -11.2 21.8 17 17 A E T 3 S+ 0 0 83 -2,-0.3 37,-0.2 1,-0.2 36,-0.1 0.024 104.6 23.5 -60.5 159.0 31.4 -8.0 20.3 18 18 A K T 3 S+ 0 0 145 35,-3.0 -1,-0.2 1,-0.2 36,-0.1 0.659 99.6 110.1 69.2 15.2 34.5 -7.6 18.1 19 19 A K S < S- 0 0 109 -3,-1.0 -1,-0.2 34,-0.2 3,-0.1 -0.845 74.1 -95.4-118.1 159.6 34.4 -11.2 17.1 20 20 A P - 0 0 86 0, 0.0 -5,-0.4 0, 0.0 -4,-0.2 -0.168 49.3 -94.2 -60.0 157.7 33.7 -13.1 13.9 21 21 A F - 0 0 5 -7,-0.1 2,-0.6 -6,-0.1 -7,-0.2 -0.533 35.3-137.5 -78.1 150.3 30.2 -14.4 13.4 22 22 A S E -A 13 0A 39 -9,-2.9 -9,-2.3 -2,-0.2 2,-0.7 -0.896 5.3-148.0-112.3 106.6 29.8 -18.1 14.4 23 23 A I E +A 12 0A 54 -2,-0.6 2,-0.3 -11,-0.3 -11,-0.2 -0.613 41.5 150.6 -71.1 112.8 27.8 -20.2 12.0 24 24 A E E -A 11 0A 27 -13,-2.3 -13,-1.9 -2,-0.7 2,-0.3 -0.867 50.9 -89.0-138.5 175.6 26.1 -22.7 14.4 25 25 A E E +A 10 0A 117 -2,-0.3 108,-0.3 -15,-0.2 2,-0.3 -0.745 47.2 175.1 -87.0 140.0 23.0 -24.8 14.7 26 26 A V E -A 9 0A 1 -17,-2.8 -17,-2.4 -2,-0.3 2,-0.4 -0.845 27.9-124.3-139.3 166.3 20.1 -23.0 16.4 27 27 A E E -AD 8 131A 73 104,-2.1 104,-0.9 -2,-0.3 2,-0.7 -0.974 17.5-157.7-119.7 125.1 16.5 -24.0 17.0 28 28 A V E -AD 7 130A 0 -21,-2.3 -21,-1.9 -2,-0.4 102,-0.2 -0.864 17.0-137.2-106.5 110.6 13.7 -21.6 15.8 29 29 A A - 0 0 29 100,-2.2 -24,-0.1 -2,-0.7 -23,-0.1 -0.176 28.5 -97.7 -64.1 161.3 10.5 -22.1 17.6 30 30 A P - 0 0 40 0, 0.0 -1,-0.1 0, 0.0 -24,-0.1 -0.514 53.3 -85.9 -74.5 162.7 7.2 -22.1 15.7 31 31 A P - 0 0 20 0, 0.0 47,-0.2 0, 0.0 3,-0.1 -0.258 38.5-148.1 -71.6 143.8 5.3 -18.8 15.5 32 32 A K > - 0 0 104 1,-0.2 3,-2.1 45,-0.1 45,-0.2 -0.214 53.5 -36.9 -99.3-168.9 2.9 -17.7 18.2 33 33 A A T 3 S+ 0 0 60 1,-0.3 -1,-0.2 44,-0.2 46,-0.2 -0.294 133.9 1.7 -53.6 131.1 -0.3 -15.6 17.8 34 34 A H T 3 S+ 0 0 97 44,-2.5 120,-2.3 1,-0.2 2,-0.3 0.720 105.7 122.7 61.9 26.8 0.3 -12.9 15.1 35 35 A E E < -G 153 0B 5 -3,-2.1 42,-3.4 118,-0.2 2,-0.4 -0.779 47.9-151.6-112.8 154.4 3.9 -14.1 14.4 36 36 A V E -GH 152 76B 0 116,-2.2 116,-2.3 -2,-0.3 2,-0.5 -0.995 3.8-150.5-133.2 123.5 5.3 -15.2 11.1 37 37 A R E -GH 151 75B 0 38,-2.7 37,-2.0 -2,-0.4 38,-1.6 -0.868 22.5-164.9 -96.8 128.9 8.1 -17.7 10.5 38 38 A I E -GH 150 73B 0 112,-2.4 112,-2.0 -2,-0.5 2,-0.7 -0.943 21.1-137.1-120.3 145.4 10.0 -17.0 7.3 39 39 A K E -GH 149 72B 91 33,-3.1 33,-2.5 -2,-0.4 2,-0.2 -0.840 34.4-127.4 -94.3 109.6 12.5 -19.0 5.3 40 40 A M E + H 0 71B 1 108,-2.0 31,-0.3 -2,-0.7 3,-0.1 -0.456 34.4 170.4 -69.0 133.1 15.3 -16.7 4.4 41 41 A V E - 0 0 44 29,-1.9 333,-1.4 1,-0.3 2,-0.3 0.795 66.1 -1.7-106.2 -39.9 16.3 -16.4 0.7 42 42 A A E -IH 373 70B 0 28,-2.1 28,-2.3 331,-0.2 2,-0.4 -0.987 55.7-177.2-153.7 143.4 18.7 -13.4 0.6 43 43 A T E -IH 372 69B 0 329,-2.5 329,-2.6 -2,-0.3 26,-0.2 -0.995 17.6-137.8-144.4 138.3 20.2 -10.9 3.0 44 44 A G E -I 371 0B 0 24,-2.6 2,-0.9 -2,-0.4 24,-0.5 -0.557 20.1-119.8 -96.3 160.0 22.5 -8.0 2.5 45 45 A I - 0 0 2 325,-1.6 325,-0.4 -2,-0.2 2,-0.2 -0.867 36.3-173.0 -94.0 97.6 25.4 -7.0 4.6 46 46 A C >> - 0 0 5 -2,-0.9 3,-1.4 323,-0.1 4,-1.1 -0.665 34.3-119.6 -89.1 148.4 24.6 -3.4 5.8 47 47 A R H 3> S+ 0 0 93 1,-0.3 4,-1.5 -2,-0.2 -1,-0.1 0.753 111.8 66.0 -63.0 -24.5 27.2 -1.3 7.8 48 48 A S H 3> S+ 0 0 29 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.813 95.9 55.4 -66.0 -30.5 24.7 -1.2 10.7 49 49 A D H X> S+ 0 0 0 -3,-1.4 4,-1.1 2,-0.2 3,-1.0 0.940 107.7 48.2 -64.5 -47.1 25.1 -5.0 11.2 50 50 A D H 3X S+ 0 0 13 -4,-1.1 4,-2.3 1,-0.3 -1,-0.2 0.817 103.4 63.6 -59.2 -33.6 28.9 -4.4 11.5 51 51 A H H 3X S+ 0 0 21 -4,-1.5 6,-2.2 1,-0.2 4,-1.3 0.799 99.3 53.2 -61.2 -32.0 27.9 -1.6 14.0 52 52 A V H << S+ 0 0 3 -4,-1.0 -1,-0.2 -3,-1.0 -2,-0.2 0.883 111.4 46.3 -72.0 -32.0 26.4 -4.4 16.2 53 53 A V H < S+ 0 0 6 -4,-1.1 -35,-3.0 1,-0.2 -2,-0.2 0.843 114.6 45.3 -72.8 -42.4 29.8 -6.2 16.0 54 54 A S H < S- 0 0 42 -4,-2.3 -1,-0.2 -37,-0.2 -2,-0.2 0.678 110.9-113.7 -79.7 -16.4 31.9 -3.1 16.7 55 55 A G S < S+ 0 0 14 -4,-1.3 242,-0.2 2,-0.3 -3,-0.1 0.177 87.8 113.7 101.0 -15.4 29.8 -1.8 19.6 56 56 A T S S+ 0 0 37 -5,-0.3 241,-1.6 1,-0.2 2,-0.6 0.889 81.0 40.4 -55.9 -46.0 28.7 1.4 17.7 57 57 A L S S- 0 0 28 -6,-2.2 2,-0.4 -9,-0.2 -2,-0.3 -0.985 89.1-151.3-108.8 112.3 25.1 0.1 17.6 58 58 A V + 0 0 75 -2,-0.6 -6,-0.1 -4,-0.1 -5,-0.1 -0.728 32.2 141.7 -93.7 130.9 24.3 -1.4 21.0 59 59 A T - 0 0 12 -2,-0.4 61,-0.1 -7,-0.2 81,-0.1 -0.936 59.9 -71.4-156.5 151.0 21.6 -4.2 21.4 60 60 A P - 0 0 40 0, 0.0 78,-0.1 0, 0.0 60,-0.1 -0.200 61.4-110.6 -58.7 131.6 21.8 -7.2 23.7 61 61 A L S S+ 0 0 50 2,-0.1 2,-0.2 76,-0.1 -46,-0.1 -0.682 87.8 52.5-101.1 157.6 24.2 -10.1 22.9 62 62 A P S S+ 0 0 27 0, 0.0 76,-2.3 0, 0.0 2,-0.4 0.681 86.8 165.1 -69.8 162.8 24.6 -12.8 22.0 63 63 A V E -Ce 14 138A 0 -49,-2.5 -49,-2.4 74,-0.2 2,-0.8 -0.977 50.1-128.4-148.7 162.0 22.5 -12.0 19.0 64 64 A I E -C 13 0A 0 74,-2.2 76,-0.3 -2,-0.4 79,-0.2 -0.910 43.0-169.5-102.9 106.6 21.3 -13.0 15.6 65 65 A A + 0 0 0 -2,-0.8 81,-2.5 -53,-0.5 -53,-0.2 -0.008 34.3 99.1 -83.7-168.7 22.0 -9.9 13.5 66 66 A G + 0 0 0 79,-0.2 79,-1.6 78,-0.2 78,-1.1 0.338 23.2 170.1 98.1 128.5 20.9 -9.0 10.0 67 67 A H + 0 0 4 -23,-0.4 2,-0.9 77,-0.2 26,-0.4 0.413 57.2 85.1-146.7 -7.4 17.9 -6.8 9.1 68 68 A E S S+ 0 0 0 -24,-0.5 -24,-2.6 24,-0.1 2,-0.3 -0.800 71.2 113.9-101.4 94.3 18.2 -6.2 5.3 69 69 A A E -H 43 0B 0 -2,-0.9 2,-0.3 22,-0.4 -26,-0.2 -0.933 49.7-146.8-153.0 175.7 16.5 -9.3 3.8 70 70 A A E +H 42 0B 0 -28,-2.3 -28,-2.1 -2,-0.3 -29,-1.9 -0.983 29.8 146.4-147.0 143.3 13.8 -11.1 1.8 71 71 A G E -HJ 40 89B 0 18,-2.1 18,-2.6 -2,-0.3 2,-0.4 -0.811 41.4 -88.2-156.3-166.4 12.4 -14.5 2.3 72 72 A I E -HJ 39 88B 56 -33,-2.5 -33,-3.1 -2,-0.2 2,-0.4 -0.948 40.1-107.5-124.5 135.8 9.3 -16.8 2.0 73 73 A V E -H 38 0B 4 14,-2.5 13,-2.5 -2,-0.4 -35,-0.2 -0.469 30.7-178.8 -66.3 120.4 6.6 -17.4 4.7 74 74 A E E - 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0 0 77 1,-0.1 3,-1.6 4,-0.1 2,-0.1 -0.663 23.4 -88.0-104.3 159.5 28.9 199.9 35.5 566 191 B Q T 3 S+ 0 0 176 -2,-0.3 25,-0.3 1,-0.2 24,-0.2 -0.400 111.8 17.1 -67.9 137.4 29.8 200.0 31.9 567 192 B G T 3 S+ 0 0 47 23,-3.3 -1,-0.2 1,-0.2 24,-0.2 0.334 96.5 135.0 84.9 -5.9 32.9 201.9 31.1 568 193 B S < - 0 0 5 -3,-1.6 25,-2.1 18,-0.1 24,-1.4 0.001 56.1-118.9 -70.6 171.7 34.3 201.9 34.7 569 194 B T E -l 593 0I 22 23,-0.2 70,-2.0 22,-0.2 69,-1.1 -0.954 32.1-170.8-115.0 120.1 37.7 201.1 36.2 570 195 B C E -lm 594 639I 0 23,-2.0 25,-2.8 -2,-0.5 2,-0.4 -0.899 12.4-157.8-114.9 150.2 37.9 198.1 38.6 571 196 B A E -lm 595 640I 0 68,-2.6 70,-2.6 -2,-0.3 2,-0.6 -0.995 8.8-166.7-132.0 127.3 40.7 196.9 40.8 572 197 B V E -lm 596 641I 0 23,-3.3 25,-3.6 -2,-0.4 2,-0.7 -0.918 5.3-157.8-117.0 117.2 40.7 193.3 42.0 573 198 B F E +lm 597 642I 3 68,-2.9 70,-2.5 -2,-0.6 25,-0.2 -0.855 67.4 26.8-100.9 115.3 43.0 192.2 44.8 574 199 B G - 0 0 5 23,-3.4 24,-0.1 -2,-0.7 23,-0.1 0.477 62.9-147.9 103.1 117.3 43.8 188.6 44.8 575 200 B L + 0 0 1 4,-0.1 -1,-0.1 21,-0.1 32,-0.1 -0.203 55.5 108.9-112.9 41.2 43.8 186.5 41.6 576 201 B G S > S- 0 0 24 67,-0.4 4,-3.2 167,-0.1 5,-0.3 -0.007 91.3 -57.4 -91.6-160.1 42.7 182.9 42.7 577 202 B G H > S+ 0 0 4 166,-0.2 4,-1.3 1,-0.2 5,-0.1 0.834 136.6 41.4 -53.3 -45.7 39.4 181.4 41.8 578 203 B V H > S+ 0 0 26 2,-0.2 4,-1.8 1,-0.1 -1,-0.2 0.881 115.3 52.1 -74.0 -32.5 37.1 183.9 43.4 579 204 B G H > S+ 0 0 1 2,-0.2 4,-2.9 64,-0.2 -2,-0.2 0.934 107.9 50.4 -67.2 -44.4 39.2 186.9 42.1 580 205 B L H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.3 -1,-0.2 0.857 110.7 50.8 -63.9 -32.4 39.2 185.5 38.5 581 206 B S H X S+ 0 0 0 -4,-1.3 4,-2.3 -5,-0.3 -1,-0.3 0.828 107.1 53.8 -73.7 -30.9 35.4 185.2 38.9 582 207 B V H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.973 109.3 48.7 -64.3 -46.2 35.3 188.8 40.1 583 208 B I H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.909 108.7 53.5 -57.6 -41.6 37.2 189.7 36.9 584 209 B M H X S+ 0 0 21 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.904 110.6 46.3 -61.5 -45.5 34.7 187.7 34.9 585 210 B G H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.853 110.8 51.6 -65.0 -38.1 31.8 189.6 36.3 586 211 B C H X>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 4,-0.7 0.932 111.2 48.4 -64.3 -43.2 33.4 193.0 35.9 587 212 B K H ><5S+ 0 0 132 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.882 112.1 48.6 -64.3 -35.6 34.1 192.1 32.2 588 213 B A H 3<5S+ 0 0 63 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.749 105.8 60.2 -73.0 -27.5 30.4 191.0 31.9 589 214 B A H 3<5S- 0 0 23 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.573 121.9-103.8 -75.4 -11.2 29.3 194.3 33.5 590 215 B G T <<5 + 0 0 26 -3,-0.8 -23,-3.3 -4,-0.7 -3,-0.2 0.612 57.2 169.7 99.9 14.9 31.0 196.4 30.8 591 216 B A < - 0 0 15 -5,-2.3 -1,-0.2 -25,-0.3 -22,-0.2 -0.406 24.4-157.5 -62.7 134.3 34.1 197.6 32.7 592 217 B A S S+ 0 0 63 -24,-1.4 2,-0.4 1,-0.2 -23,-0.2 0.702 78.8 27.1 -84.8 -26.1 36.6 199.3 30.4 593 218 B R E -l 569 0I 60 -25,-2.1 -23,-2.0 2,-0.0 2,-0.4 -1.000 62.5-175.4-135.5 141.1 39.7 198.7 32.6 594 219 B I E -l 570 0I 3 -2,-0.4 19,-1.9 -25,-0.2 20,-1.6 -0.932 9.6-161.9-138.3 110.5 40.2 195.8 35.1 595 220 B I E -ln 571 614I 0 -25,-2.8 -23,-3.3 -2,-0.4 2,-0.4 -0.847 4.3-158.7-100.5 119.2 43.3 195.9 37.2 596 221 B G E -ln 572 615I 0 18,-2.4 20,-2.7 -2,-0.6 2,-0.5 -0.814 6.8-161.5 -94.9 138.6 44.3 192.7 38.8 597 222 B V E +ln 573 616I 2 -25,-3.6 -23,-3.4 -2,-0.4 2,-0.3 -0.987 22.6 145.5-122.2 129.4 46.6 192.9 41.8 598 223 B D - 0 0 26 18,-2.1 21,-0.2 -2,-0.5 6,-0.0 -0.980 47.8-140.7-154.4 151.0 48.6 190.0 43.1 599 224 B I S S+ 0 0 104 -2,-0.3 2,-0.7 18,-0.2 18,-0.1 0.475 94.5 74.5 -87.3 -1.1 52.0 189.4 44.7 600 225 B N > - 0 0 44 1,-0.1 3,-2.0 2,-0.0 4,-0.2 -0.851 64.3-168.2-108.0 97.5 52.2 186.2 42.6 601 226 B K G > S+ 0 0 146 -2,-0.7 3,-1.6 1,-0.3 4,-0.5 0.697 80.2 74.6 -61.1 -12.3 53.0 187.1 39.0 602 227 B D G 3 S+ 0 0 124 1,-0.3 4,-0.5 2,-0.1 -1,-0.3 0.761 90.2 62.3 -71.2 -17.2 52.2 183.5 37.8 603 228 B K G <> S+ 0 0 32 -3,-2.0 4,-1.8 1,-0.2 -1,-0.3 0.605 84.3 80.9 -80.5 -14.5 48.6 184.5 38.3 604 229 B F H <> S+ 0 0 30 -3,-1.6 4,-3.0 -4,-0.2 5,-0.2 0.935 83.7 54.0 -64.2 -48.7 48.8 187.3 35.7 605 230 B A H > S+ 0 0 63 -4,-0.5 4,-3.1 1,-0.2 -1,-0.2 0.951 112.0 43.1 -48.8 -60.3 48.4 185.4 32.5 606 231 B K H > S+ 0 0 44 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.890 112.9 54.6 -58.1 -40.4 45.1 183.6 33.5 607 232 B A H <>S+ 0 0 0 -4,-1.8 5,-2.8 1,-0.2 4,-0.4 0.897 109.7 46.7 -58.7 -41.9 43.8 187.0 34.9 608 233 B K H ><5S+ 0 0 101 -4,-3.0 3,-2.0 1,-0.2 -1,-0.2 0.949 107.1 60.3 -60.2 -46.9 44.5 188.6 31.6 609 234 B E H 3<5S+ 0 0 139 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.813 108.1 42.1 -51.4 -39.5 42.8 185.7 29.9 610 235 B V T 3<5S- 0 0 19 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.385 139.1 -61.7 -92.7 4.7 39.5 186.2 31.7 611 236 B G T < 5S+ 0 0 13 -3,-2.0 2,-0.2 -4,-0.4 -3,-0.2 0.260 81.8 138.4 144.0 -14.7 39.3 190.0 31.4 612 237 B A < - 0 0 7 -5,-2.8 -1,-0.3 1,-0.2 -17,-0.2 -0.531 29.0-168.8 -67.9 129.0 42.2 191.8 33.2 613 238 B T S S+ 0 0 66 -19,-1.9 2,-0.3 1,-0.2 -18,-0.2 0.694 74.8 5.2 -86.8 -22.8 43.5 194.7 31.1 614 239 B E E -n 595 0I 58 -20,-1.6 -18,-2.4 -7,-0.1 2,-0.4 -0.977 66.0-149.3-155.4 158.6 46.5 195.2 33.4 615 240 B C E -n 596 0I 27 -2,-0.3 2,-0.4 -20,-0.2 -18,-0.2 -0.995 9.6-161.3-139.7 135.8 48.1 193.4 36.3 616 241 B V E -n 597 0I 5 -20,-2.7 -18,-2.1 -2,-0.4 3,-0.1 -0.943 10.3-157.0-125.9 137.8 50.1 194.8 39.1 617 242 B N > - 0 0 9 -2,-0.4 3,-2.6 -20,-0.2 4,-0.4 -0.897 11.0-152.9-111.0 114.1 52.5 193.3 41.6 618 243 B P G > S+ 0 0 40 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.805 93.2 65.5 -53.5 -27.7 52.8 195.4 44.8 619 244 B Q G 3 S+ 0 0 136 1,-0.2 -20,-0.1 -21,-0.2 -2,-0.0 0.649 90.7 65.8 -73.8 -10.5 56.3 194.0 45.4 620 245 B D G < S+ 0 0 120 -3,-2.6 2,-0.3 2,-0.0 -1,-0.2 0.664 93.7 74.9 -86.9 -11.5 57.5 195.7 42.1 621 246 B Y < - 0 0 95 -3,-1.0 4,-0.1 -4,-0.4 0, 0.0 -0.731 65.7-146.8-105.5 157.4 57.0 199.2 43.5 622 247 B K S S+ 0 0 224 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.565 85.7 57.5 -90.7 -13.3 58.7 201.5 45.9 623 248 B K S S- 0 0 66 1,-0.1 -2,-0.1 -5,-0.0 5,-0.1 -0.767 101.5 -77.4-117.4 163.3 55.5 203.1 47.0 624 249 B P > - 0 0 64 0, 0.0 4,-1.6 0, 0.0 3,-0.5 -0.263 41.1-121.6 -53.4 144.1 52.3 201.8 48.5 625 250 B I H > S+ 0 0 18 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.767 109.7 62.1 -64.0 -30.4 50.0 200.1 46.0 626 251 B Q H > S+ 0 0 50 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.959 104.8 48.5 -64.0 -39.1 47.1 202.4 46.8 627 252 B E H > S+ 0 0 99 -3,-0.5 4,-2.8 2,-0.2 3,-0.3 0.985 111.9 49.3 -61.3 -54.6 49.3 205.3 45.5 628 253 B V H X S+ 0 0 4 -4,-1.6 4,-3.1 1,-0.2 -2,-0.2 0.928 114.8 44.5 -47.7 -49.6 50.2 203.4 42.4 629 254 B L H X S+ 0 0 0 -4,-3.0 4,-1.6 2,-0.2 7,-0.4 0.836 112.1 49.5 -69.1 -32.4 46.6 202.5 41.6 630 255 B T H <>S+ 0 0 45 -4,-2.4 5,-3.2 -5,-0.3 6,-0.6 0.922 113.2 49.9 -72.9 -38.7 45.2 206.0 42.3 631 256 B E H ><5S+ 0 0 110 -4,-2.8 3,-1.5 -5,-0.3 -2,-0.2 0.982 113.9 43.5 -60.8 -56.6 47.9 207.3 40.0 632 257 B M H 3<5S+ 0 0 40 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.781 114.8 49.5 -65.3 -21.0 47.1 204.8 37.2 633 258 B S T 3<5S- 0 0 16 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.282 113.0-120.5 -95.5 6.1 43.3 205.3 37.6 634 259 B N T < 5S- 0 0 143 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.916 91.6 -5.8 59.8 44.4 43.8 209.1 37.5 635 260 B G S - 0 0 128 1,-0.1 4,-1.7 24,-0.1 -1,-0.2 -0.969 54.0-140.3-124.1 128.5 44.0 190.3 54.7 647 272 B L H > S+ 0 0 34 -2,-0.4 4,-1.6 1,-0.2 3,-0.2 0.923 104.4 50.6 -52.3 -46.1 43.1 193.3 57.1 648 273 B D H > S+ 0 0 76 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.920 109.9 46.9 -61.5 -44.5 45.7 195.5 55.3 649 274 B T H > S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.815 107.0 60.0 -70.7 -21.7 44.6 194.8 51.7 650 275 B M H X S+ 0 0 6 -4,-1.7 4,-1.8 -3,-0.2 -1,-0.2 0.964 111.0 40.2 -67.1 -43.8 41.0 195.5 52.9 651 276 B V H X S+ 0 0 29 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.944 115.6 51.4 -66.6 -48.8 42.1 198.9 53.9 652 277 B T H X S+ 0 0 21 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.822 108.1 52.6 -59.1 -31.8 44.2 199.3 50.9 653 278 B A H X S+ 0 0 0 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.876 108.8 48.5 -74.1 -42.3 41.3 198.3 48.6 654 279 B L H >< S+ 0 0 0 -4,-1.8 3,-1.2 1,-0.2 -2,-0.2 0.923 111.8 51.1 -60.9 -45.5 39.0 200.9 50.1 655 280 B S H 3< S+ 0 0 18 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.860 101.9 58.6 -64.3 -37.4 41.6 203.6 49.7 656 281 B C H 3< S+ 0 0 0 -4,-1.8 -19,-2.2 -5,-0.1 2,-0.3 0.567 89.9 90.9 -71.2 -12.5 42.4 203.0 46.0 657 282 B C B << S-q 637 0J 1 -3,-1.2 -19,-0.2 -4,-0.5 5,-0.1 -0.644 100.9 -83.0 -86.6 141.2 38.7 203.6 45.2 658 283 B Q > - 0 0 30 -21,-2.5 4,-2.5 -2,-0.3 -22,-0.2 -0.002 38.4-134.5 -42.8 123.9 37.8 207.2 44.3 659 284 B E T 4 S+ 0 0 111 -24,-0.5 28,-1.2 1,-0.2 -1,-0.1 0.838 97.8 40.7 -57.7 -30.9 37.2 209.2 47.5 660 285 B A T 4 S+ 0 0 54 26,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.852 138.9 1.8 -91.1 -32.9 33.9 210.9 46.5 661 286 B Y T 4 S+ 0 0 144 2,-0.0 -2,-0.2 27,-0.0 -3,-0.1 0.321 89.4 128.7-137.5 11.9 32.1 208.1 44.7 662 287 B G < - 0 0 0 -4,-2.5 26,-1.7 -5,-0.1 2,-0.4 -0.236 41.6-149.3 -68.4 153.6 34.2 204.9 44.8 663 288 B V E -op 639 688I 22 -25,-1.6 -23,-2.5 -26,-0.2 2,-0.4 -0.998 9.2-166.6-126.8 134.3 32.8 201.6 45.9 664 289 B S E -op 640 689I 1 24,-2.5 26,-2.7 -2,-0.4 2,-0.5 -0.990 2.8-160.7-125.4 131.5 34.8 198.9 47.7 665 290 B V E -op 641 690I 0 -25,-2.7 -23,-2.7 -2,-0.4 2,-0.7 -0.923 8.8-148.3-115.2 128.3 33.7 195.3 48.2 666 291 B I E +op 642 691I 40 24,-3.5 26,-1.2 -2,-0.5 -23,-0.1 -0.817 32.5 153.0 -90.6 117.2 35.2 193.0 50.8 667 292 B V + 0 0 20 -25,-3.2 -24,-0.2 -2,-0.7 -1,-0.2 0.739 44.9 90.6-110.9 -36.3 35.0 189.4 49.5 668 293 B G S S- 0 0 13 -26,-1.5 -23,-0.3 1,-0.1 -26,-0.1 -0.159 75.9-120.2 -59.8 147.3 38.0 187.8 51.4 669 294 B V - 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