==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (HUMANIZED ANTIBODY/HYDROLASE) 16-SEP-98 1BVK . COMPND 2 MOLECULE: HULYS11; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.A.HOLMES,T.N.BUSS,J.FOOTE . 706 6 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 481 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 194 27.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 77 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 2 0 0 0 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 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 PARALLEL BRIDGES PER LADDER . 7 5 12 3 4 8 2 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 . 2 2 3 1 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 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 D 0 0 122 0, 0.0 2,-0.6 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 110.8 6.1 68.4 85.8 2 2 A I - 0 0 27 93,-0.5 2,-0.2 90,-0.2 88,-0.1 -0.789 360.0-152.6 -86.4 121.3 4.0 71.5 85.6 3 3 A Q - 0 0 93 -2,-0.6 23,-2.6 93,-0.1 2,-0.5 -0.590 6.0-135.1 -91.2 153.5 0.4 70.7 86.6 4 4 A M E -A 25 0A 5 94,-0.4 2,-0.6 -2,-0.2 21,-0.2 -0.951 13.8-167.0-113.7 127.3 -2.6 72.5 85.4 5 5 A T E -A 24 0A 86 19,-2.0 19,-2.8 -2,-0.5 2,-0.4 -0.932 13.6-177.0-116.7 108.3 -5.3 73.6 87.8 6 6 A Q E -A 23 0A 8 -2,-0.6 17,-0.2 17,-0.2 94,-0.1 -0.898 12.3-130.3-113.7 137.1 -8.5 74.7 86.1 7 7 A S E +A 22 0A 59 15,-1.7 15,-2.3 -2,-0.4 2,-0.2 -0.977 64.4 27.6-147.4 155.4 -11.6 76.1 87.6 8 8 A P - 0 0 51 0, 0.0 3,-0.1 0, 0.0 14,-0.1 0.602 59.2-145.3 -80.8 177.3 -14.5 76.1 87.9 9 9 A S S S- 0 0 99 1,-0.3 94,-0.6 93,-0.2 2,-0.3 0.683 82.0 -13.3 -76.1 -18.4 -15.5 72.5 87.1 10 10 A S E -d 103 0B 60 92,-0.3 2,-0.3 75,-0.0 -1,-0.3 -0.906 65.6-165.3-175.9 150.7 -18.7 73.8 85.5 11 11 A L E -d 104 0B 34 92,-2.2 94,-1.2 -2,-0.3 2,-0.4 -0.977 7.9-148.1-146.4 161.0 -20.7 76.9 85.2 12 12 A S E +d 105 0B 68 -2,-0.3 2,-0.3 92,-0.2 94,-0.2 -0.993 25.7 149.6-134.6 133.7 -24.1 78.1 84.2 13 13 A A E -d 106 0B 12 92,-2.2 94,-2.8 -2,-0.4 2,-0.3 -0.967 41.3 -98.1-155.3 168.5 -25.2 81.4 82.7 14 14 A S > - 0 0 43 -2,-0.3 3,-2.2 92,-0.2 64,-0.2 -0.672 51.6 -90.4 -88.8 148.2 -27.8 83.1 80.4 15 15 A V T 3 S+ 0 0 76 -2,-0.3 64,-0.2 1,-0.3 -1,-0.1 -0.283 115.9 39.5 -59.7 132.2 -27.0 83.9 76.8 16 16 A G T 3 S+ 0 0 44 62,-2.5 -1,-0.3 1,-0.5 2,-0.1 0.163 92.0 115.2 113.7 -17.8 -25.5 87.4 76.7 17 17 A D < - 0 0 71 -3,-2.2 61,-4.0 61,-0.3 -1,-0.5 -0.426 65.8-122.4 -85.7 158.3 -23.5 87.0 79.8 18 18 A R - 0 0 168 59,-0.2 2,-0.3 -2,-0.1 58,-0.2 -0.841 29.2-171.7 -96.9 134.6 -19.7 87.0 80.1 19 19 A V E - B 0 75A 9 56,-1.7 56,-1.5 -2,-0.4 2,-0.4 -0.859 4.9-157.6-121.9 158.2 -18.2 83.9 81.6 20 20 A T E - B 0 74A 56 -2,-0.3 2,-0.3 54,-0.2 54,-0.2 -0.985 7.0-171.4-142.7 130.5 -14.6 83.4 82.6 21 21 A I E - B 0 73A 0 52,-2.5 52,-2.8 -2,-0.4 2,-0.3 -0.857 14.0-155.9-115.8 148.8 -12.7 80.2 83.0 22 22 A T E -AB 7 72A 45 -15,-2.3 -15,-1.7 -2,-0.3 2,-0.4 -0.947 15.1-160.9-133.2 154.1 -9.2 80.2 84.5 23 23 A a E -AB 6 71A 0 48,-3.2 48,-2.4 -2,-0.3 2,-0.6 -0.994 9.3-164.9-129.2 118.5 -6.1 78.0 84.5 24 24 A R E -AB 5 70A 126 -19,-2.8 -19,-2.0 -2,-0.4 2,-0.5 -0.970 18.3-140.0-107.9 120.6 -3.5 78.4 87.2 25 25 A A E -A 4 0A 5 44,-2.6 -21,-0.2 -2,-0.6 4,-0.1 -0.744 11.1-137.0 -89.3 129.3 -0.2 76.8 86.4 26 26 A S S S+ 0 0 76 -23,-2.6 2,-0.3 -2,-0.5 -1,-0.1 0.587 93.9 8.1 -52.6 -16.1 1.9 74.9 88.9 27 27 A G S S- 0 0 21 -24,-0.3 2,-0.3 41,-0.1 -2,-0.0 -0.956 105.3 -67.6-158.6 168.3 4.9 76.6 87.5 28 28 A N - 0 0 68 -2,-0.3 41,-0.2 1,-0.2 -2,-0.1 -0.517 39.3-178.6 -69.2 122.3 5.6 79.4 85.0 29 29 A I > - 0 0 0 39,-1.4 3,-1.2 -2,-0.3 62,-0.2 0.432 35.6-130.2-100.3 -2.8 4.6 78.3 81.5 30 30 A H T 3 - 0 0 43 38,-0.4 39,-0.1 1,-0.2 -2,-0.1 0.795 63.3 -56.2 58.7 40.2 5.6 81.5 79.8 31 31 A N T 3 S+ 0 0 44 37,-0.4 2,-1.8 1,-0.1 -1,-0.2 0.377 102.2 126.6 75.9 -1.7 2.5 82.3 77.8 32 32 A Y < + 0 0 7 -3,-1.2 59,-2.4 18,-0.2 2,-0.4 -0.285 37.2 131.6 -80.9 53.0 2.6 79.0 76.1 33 33 A L E -E 90 0B 0 -2,-1.8 18,-2.2 57,-0.2 2,-0.4 -0.883 36.6-165.2-107.4 140.3 -1.0 78.2 77.1 34 34 A A E -E 89 0B 0 55,-3.1 55,-2.0 -2,-0.4 2,-0.4 -0.952 7.1-151.5-128.3 149.7 -3.7 76.9 74.8 35 35 A W E -EF 88 48B 1 13,-2.1 12,-2.0 -2,-0.4 13,-1.8 -0.979 11.5-174.1-123.8 127.9 -7.5 76.6 75.0 36 36 A Y E -EF 87 46B 0 51,-1.2 51,-1.3 -2,-0.4 2,-0.4 -0.720 13.9-144.9-114.8 160.5 -9.7 74.0 73.3 37 37 A Q E -EF 86 45B 19 8,-2.0 8,-1.9 -2,-0.2 2,-0.4 -0.977 15.6-164.9-125.3 136.4 -13.5 73.8 73.1 38 38 A Q E -E 85 0B 21 47,-2.7 47,-2.6 -2,-0.4 5,-0.1 -0.961 7.2-162.4-134.1 123.3 -15.2 70.4 73.1 39 39 A K > - 0 0 56 4,-0.5 3,-2.2 -2,-0.4 45,-0.1 -0.715 44.4 -86.8 -96.2 149.1 -18.8 69.5 72.2 40 40 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.271 115.0 23.8 -53.3 133.6 -20.3 66.2 73.2 41 41 A G T 3 S+ 0 0 86 1,-0.1 2,-0.3 -3,-0.1 -3,-0.0 0.251 111.5 71.3 97.7 -13.9 -19.4 63.6 70.6 42 42 A K S < S- 0 0 125 -3,-2.2 -1,-0.1 1,-0.1 3,-0.1 -0.949 79.8 -86.4-141.1 163.2 -16.3 65.1 69.0 43 43 A A - 0 0 18 -2,-0.3 -4,-0.5 173,-0.2 -1,-0.1 0.056 55.1 -88.2 -57.4 160.9 -12.7 66.0 69.4 44 44 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.453 41.8-147.2 -72.5 153.1 -11.4 69.1 71.0 45 45 A K E -F 37 0B 103 -8,-1.9 -8,-2.0 -2,-0.1 168,-0.1 -0.984 19.1-107.2-125.4 138.4 -11.0 72.1 68.7 46 46 A L E +F 36 0B 17 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.297 42.3 158.5 -67.0 139.6 -8.4 74.8 69.0 47 47 A L E + 0 0 1 -12,-2.0 8,-1.9 1,-0.4 2,-0.3 0.610 63.7 9.8-126.6 -46.1 -9.6 78.3 70.1 48 48 A I E -FG 35 54B 0 -13,-1.8 -13,-2.1 6,-0.3 -1,-0.4 -1.000 56.1-175.5-144.5 144.5 -6.6 80.1 71.4 49 49 A Y E >> + G 0 53B 26 4,-3.8 4,-1.4 -2,-0.3 3,-0.6 -0.911 69.0 24.3-131.9 165.5 -2.8 79.7 71.5 50 50 A Y T 34 S- 0 0 38 160,-0.4 2,-2.2 -2,-0.3 3,-0.5 0.909 123.6 -75.0 44.9 42.7 0.1 81.5 73.1 51 51 A T T 34 S+ 0 0 1 -18,-2.2 -1,-0.3 1,-0.2 21,-0.1 -0.148 126.1 24.4 70.7 -40.8 -2.4 82.8 75.6 52 52 A T T <4 S+ 0 0 73 -2,-2.2 2,-0.5 -3,-0.6 -1,-0.2 0.622 88.8 105.0-127.3 -23.3 -4.2 85.4 73.5 53 53 A T E < -G 49 0B 37 -4,-1.4 -4,-3.8 -3,-0.5 2,-0.2 -0.541 58.5-146.9 -71.7 117.5 -3.8 84.5 69.9 54 54 A L E -G 48 0B 58 -2,-0.5 -6,-0.3 -6,-0.3 3,-0.1 -0.520 12.7-113.7 -88.0 151.6 -7.0 83.0 68.5 55 55 A A > - 0 0 18 -8,-1.9 3,-0.8 -2,-0.2 2,-0.2 -0.188 48.0 -77.2 -74.1 168.9 -7.4 80.4 65.8 56 56 A D T 3 S+ 0 0 156 1,-0.2 -1,-0.2 0, 0.0 0, 0.0 -0.453 114.2 12.5 -73.2 137.8 -8.8 81.0 62.4 57 57 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.0 0.058 88.5 137.3 86.2 -24.8 -12.6 81.3 62.2 58 58 A V < - 0 0 18 -3,-0.8 -1,-0.3 -11,-0.1 2,-0.1 -0.236 58.4-115.1 -54.6 140.9 -12.9 81.5 66.0 59 59 A P > - 0 0 43 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.393 17.4-116.6 -74.7 166.3 -15.5 84.2 66.9 60 60 A S T 3 S+ 0 0 112 1,-0.2 16,-0.1 -2,-0.1 -2,-0.1 0.583 100.3 87.8 -78.5 -16.8 -14.4 87.3 68.8 61 61 A R T 3 S+ 0 0 41 14,-0.1 15,-3.8 16,-0.1 -1,-0.2 0.865 82.5 76.8 -48.3 -35.8 -16.6 86.5 71.7 62 62 A F E < +C 75 0A 5 -3,-0.8 2,-0.3 13,-0.2 13,-0.2 -0.531 57.2 154.2 -82.2 147.9 -13.5 84.6 72.9 63 63 A S E -C 74 0A 49 11,-1.3 11,-1.4 -2,-0.2 2,-0.3 -0.910 21.7-155.9-158.2 173.2 -10.4 86.0 74.4 64 64 A G E +C 73 0A 9 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.903 11.3 172.6-161.5 131.6 -7.6 85.1 76.6 65 65 A S E +C 72 0A 77 7,-2.2 7,-2.8 -2,-0.3 2,-0.2 -0.905 23.2 114.6-134.4 160.8 -5.2 87.0 78.8 66 66 A G E -C 71 0A 22 -2,-0.3 2,-0.3 5,-0.2 5,-0.3 -0.734 28.4-163.5 151.9 161.6 -2.6 85.9 81.3 67 67 A S E > +C 70 0A 79 3,-2.1 3,-1.3 -2,-0.2 2,-0.4 -0.960 63.0 5.9-163.8 162.7 1.0 85.7 82.1 68 68 A G T 3 S- 0 0 24 -2,-0.3 -39,-1.4 1,-0.3 -37,-0.4 -0.410 129.4 -28.4 58.7-116.4 3.2 83.7 84.5 69 69 A T T 3 S+ 0 0 46 -2,-0.4 -44,-2.6 -41,-0.2 2,-0.8 0.621 121.0 86.1-107.0 -17.6 1.0 81.1 86.2 70 70 A D E < +BC 24 67A 84 -3,-1.3 -3,-2.1 -46,-0.2 2,-0.4 -0.780 52.2 164.9 -95.1 113.2 -2.2 83.0 86.0 71 71 A Y E -BC 23 66A 3 -48,-2.4 -48,-3.2 -2,-0.8 2,-0.3 -0.978 11.3-173.3-128.0 144.6 -4.2 82.5 82.8 72 72 A T E -BC 22 65A 35 -7,-2.8 -7,-2.2 -2,-0.4 2,-0.4 -0.983 10.6-156.4-139.7 143.2 -7.8 83.3 82.0 73 73 A F E -BC 21 64A 0 -52,-2.8 -52,-2.5 -2,-0.3 2,-0.5 -0.978 14.8-159.4-121.4 129.0 -10.1 82.7 79.1 74 74 A T E -BC 20 63A 14 -11,-1.4 -11,-1.3 -2,-0.4 2,-0.8 -0.921 19.4-164.0-120.9 128.0 -13.3 84.8 78.4 75 75 A I E -BC 19 62A 0 -56,-1.5 -56,-1.7 -2,-0.5 3,-0.4 -0.906 17.8-161.6 -94.0 111.1 -16.4 84.3 76.4 76 76 A S S S+ 0 0 55 -15,-3.8 2,-0.2 -2,-0.8 -1,-0.2 0.836 78.0 20.3 -69.0 -27.0 -17.6 87.8 76.2 77 77 A S S S- 0 0 39 -3,-0.1 -1,-0.2 -59,-0.1 -59,-0.2 -0.675 81.9-135.5-143.6 86.9 -21.2 86.9 75.3 78 78 A L - 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0 0 17 -3,-1.4 2,-0.2 1,-0.1 -3,-0.2 0.716 35.6-168.5 31.6 55.0 41.8 71.8 137.1 640 58 F I E < -T 635 0Q 5 -5,-1.6 -5,-2.0 -6,-0.1 -1,-0.1 -0.471 21.3-111.5 -73.0 132.5 39.6 71.4 134.1 641 59 F N E >> -T 634 0Q 29 -2,-0.2 4,-1.9 -7,-0.2 5,-1.5 -0.377 11.2-149.4 -76.5 141.3 40.0 68.1 132.2 642 60 F S T 45S+ 0 0 0 -9,-1.2 14,-0.4 1,-0.2 6,-0.3 0.704 92.8 58.0 -77.1 -24.5 41.4 67.6 128.8 643 61 F R T 45S+ 0 0 49 11,-0.2 12,-3.2 12,-0.1 -1,-0.2 0.759 122.7 18.4 -79.7 -19.1 39.4 64.6 127.7 644 62 F W T 45S+ 0 0 103 -3,-0.3 13,-2.6 10,-0.2 -2,-0.2 0.762 131.8 18.2-121.4 -33.4 36.0 66.4 128.1 645 63 F W T <5S+ 0 0 60 -4,-1.9 13,-1.6 11,-0.3 15,-0.4 0.748 116.0 26.8-116.3 -34.2 36.1 70.1 128.2 646 64 F k S S- 0 0 7 -9,-0.1 3,-0.7 -18,-0.1 2,-0.3 -0.745 73.3-128.1 -90.7 130.5 44.6 63.3 125.2 652 70 F P T 3 S+ 0 0 77 0, 0.0 -21,-0.2 0, 0.0 -20,-0.1 -0.669 87.4 22.3 -80.2 134.2 42.5 60.6 123.4 653 71 F G T 3 S+ 0 0 41 -2,-0.3 2,-0.1 1,-0.2 -10,-0.0 0.508 78.3 178.9 88.6 8.1 38.7 60.9 123.2 654 72 F S < - 0 0 48 -3,-0.7 -10,-0.2 1,-0.2 -1,-0.2 -0.191 13.5-176.4 -48.6 104.1 38.9 64.7 123.7 655 73 F R - 0 0 132 -12,-3.2 -11,-0.2 -3,-0.1 -1,-0.2 0.659 14.6-159.8 -77.6 -17.0 35.3 65.7 123.5 656 74 F N > + 0 0 41 -10,-0.6 3,-0.8 -14,-0.4 -11,-0.3 0.852 23.0 166.9 33.2 60.3 36.4 69.4 123.9 657 75 F L T 3 S+ 0 0 93 -13,-2.6 -12,-0.2 1,-0.2 -1,-0.1 0.743 71.8 53.5 -72.4 -25.0 32.8 70.5 125.1 658 76 F l T 3 S- 0 0 18 -13,-1.6 -1,-0.2 2,-0.2 -12,-0.1 0.575 104.7-132.5 -83.9 -11.4 34.0 73.9 126.3 659 77 F N < + 0 0 135 -3,-0.8 -13,-0.1 -14,-0.3 -2,-0.1 0.976 65.3 108.5 54.8 65.0 35.6 74.6 122.9 660 78 F I S S- 0 0 47 -15,-0.4 -13,-0.8 16,-0.0 2,-0.3 -0.982 72.9-105.3-161.7 152.3 38.9 75.8 124.1 661 79 F P B > -u 647 0R 63 0, 0.0 3,-2.3 0, 0.0 4,-0.5 -0.717 30.1-125.1 -85.9 141.9 42.5 74.7 124.2 662 80 F k G > S+ 0 0 0 -15,-2.8 3,-2.4 -2,-0.3 -14,-0.2 0.914 111.7 63.2 -49.8 -38.7 43.5 73.5 127.6 663 81 F S G > S+ 0 0 87 -16,-0.6 3,-1.3 1,-0.3 -1,-0.3 0.662 84.4 73.1 -63.3 -18.1 46.4 76.0 127.3 664 82 F A G < S+ 0 0 30 -3,-2.3 3,-0.3 1,-0.2 -1,-0.3 0.785 93.9 58.8 -65.5 -20.8 43.9 78.8 127.2 665 83 F L G < S+ 0 0 1 -3,-2.4 -28,-0.5 -4,-0.5 -1,-0.2 0.221 80.3 81.9 -93.4 9.2 43.5 78.1 130.9 666 84 F L S < S+ 0 0 53 -3,-1.3 2,-0.3 -30,-0.1 -1,-0.2 -0.041 75.2 108.2-104.5 33.1 47.1 78.6 132.2 667 85 F S S S- 0 0 46 2,-0.4 -30,-0.2 -3,-0.3 6,-0.1 -0.746 83.4-113.4-114.9 160.8 46.8 82.4 132.4 668 86 F S S S+ 0 0 79 -2,-0.3 2,-0.4 2,-0.1 -1,-0.1 0.751 100.1 86.4 -53.9 -29.0 46.6 85.2 135.0 669 87 F D - 0 0 85 1,-0.1 -2,-0.4 -47,-0.0 3,-0.2 -0.645 59.3-170.8 -78.2 129.6 43.1 85.6 133.6 670 88 F I > + 0 0 6 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.262 66.1 95.7-101.4 11.9 40.6 83.4 135.2 671 89 F T H > S+ 0 0 39 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.867 84.8 45.7 -69.2 -39.5 38.0 84.4 132.5 672 90 F A H > S+ 0 0 31 -3,-0.2 4,-0.9 -8,-0.2 -1,-0.2 0.809 117.7 45.2 -73.5 -26.4 38.6 81.4 130.3 673 91 F S H > S+ 0 0 4 -4,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.868 111.8 49.4 -83.5 -41.1 38.6 79.1 133.3 674 92 F V H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 3,-0.3 0.971 110.5 50.3 -61.0 -53.4 35.5 80.5 135.0 675 93 F N H < S+ 0 0 74 -4,-1.6 -1,-0.2 1,-0.3 4,-0.2 0.813 110.9 46.7 -56.5 -39.9 33.4 80.4 131.9 676 94 F l H >X S+ 0 0 6 -4,-0.9 4,-1.0 2,-0.2 3,-0.9 0.809 109.9 57.3 -71.6 -29.5 34.2 76.8 131.0 677 95 F A H >X S+ 0 0 0 -4,-1.3 4,-2.2 -3,-0.3 3,-1.2 0.948 101.9 54.2 -62.7 -48.5 33.5 76.0 134.7 678 96 F K H 3< S+ 0 0 58 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.536 103.8 56.6 -60.1 -16.1 30.0 77.5 134.2 679 97 F K H <4 S+ 0 0 134 -3,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.748 108.9 45.7 -84.3 -32.2 29.6 75.1 131.3 680 98 F I H << S+ 0 0 18 -3,-1.2 2,-2.1 -4,-1.0 3,-0.3 0.893 97.3 72.9 -75.6 -47.3 30.3 72.1 133.6 681 99 F V < + 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 5,-0.1 -0.507 57.2 151.2 -75.2 81.2 28.1 73.2 136.5 682 100 F S + 0 0 77 -2,-2.1 -1,-0.2 4,-0.1 2,-0.1 0.956 64.9 5.8 -76.0 -57.4 24.7 72.4 134.8 683 101 F D S S- 0 0 88 -3,-0.3 3,-0.5 -79,-0.0 4,-0.1 -0.032 99.2 -74.1-106.8-149.4 22.6 71.7 137.8 684 102 F G S S+ 0 0 17 1,-0.2 -3,-0.1 2,-0.1 -81,-0.0 0.182 129.4 51.7-100.4 9.8 23.1 71.8 141.6 685 103 F N S > S+ 0 0 88 2,-0.1 3,-1.4 1,-0.0 -1,-0.2 -0.095 77.3 111.9-125.6 19.2 25.3 68.7 141.8 686 104 F G G > + 0 0 6 -3,-0.5 3,-1.1 1,-0.2 4,-0.1 0.761 65.2 65.9 -65.3 -25.5 27.3 70.4 139.1 687 105 F M G > S+ 0 0 0 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.506 73.7 84.9 -79.1 0.9 30.1 70.8 141.6 688 106 F N G < S+ 0 0 54 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.1 0.552 73.2 83.3 -71.3 -9.4 30.7 67.0 142.0 689 107 F A G < S+ 0 0 57 -3,-1.1 2,-0.7 1,-0.1 -1,-0.2 0.933 82.2 61.5 -55.7 -51.6 32.8 67.8 138.9 690 108 F W S X> S- 0 0 9 -3,-0.9 4,-1.7 1,-0.2 3,-0.7 -0.735 70.9-162.0 -84.0 113.5 35.7 68.8 141.2 691 109 F V H 3> S+ 0 0 77 -2,-0.7 4,-3.5 1,-0.2 5,-0.3 0.913 86.4 55.9 -64.4 -42.6 36.8 65.9 143.4 692 110 F A H 3> S+ 0 0 12 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.723 107.9 49.6 -63.0 -25.7 38.7 68.0 145.9 693 111 F W H <>>S+ 0 0 10 -3,-0.7 4,-2.2 2,-0.2 5,-2.0 0.864 112.3 46.5 -80.0 -37.6 35.7 70.1 146.6 694 112 F R H <5S+ 0 0 114 -4,-1.7 -2,-0.2 -7,-0.2 4,-0.2 0.948 123.7 36.1 -64.2 -44.6 33.6 67.0 147.0 695 113 F N H <5S+ 0 0 117 -4,-3.5 -2,-0.2 -5,-0.2 -3,-0.2 0.769 134.6 21.1 -79.4 -27.5 36.3 65.6 149.2 696 114 F R H <5S+ 0 0 156 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.2 0.401 128.8 29.7-128.3 8.3 37.4 68.7 151.0 697 115 F j T ><5S+ 0 0 1 -4,-2.2 3,-1.0 3,-0.0 2,-0.4 0.483 79.1 109.8-137.3 -22.6 34.7 71.4 150.8 698 116 F K T 3 + 0 0 38 -2,-0.3 3,-2.4 1,-0.2 4,-0.2 -0.364 59.3 163.9 -66.3 69.7 32.3 76.4 156.6 702 120 F V G > + 0 0 4 -2,-3.2 3,-1.7 1,-0.3 -1,-0.2 0.734 67.4 73.3 -60.1 -22.7 33.0 77.3 153.0 703 121 F Q G >> S+ 0 0 0 1,-0.3 3,-1.9 -3,-0.2 4,-1.1 0.778 79.9 76.0 -60.6 -25.5 31.9 80.7 153.9 704 122 F A G <4 S+ 0 0 38 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.605 81.8 66.8 -61.3 -17.6 35.2 80.9 155.8 705 123 F W G <4 S+ 0 0 53 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.682 110.0 32.8 -81.0 -15.5 37.0 81.4 152.5 706 124 F I T X4 S+ 0 0 11 -3,-1.9 3,-1.6 -4,-0.2 2,-0.2 0.523 85.1 112.0-114.5 -14.8 35.5 84.8 151.9 707 125 F R T 3< S+ 0 0 66 -4,-1.1 3,-0.1 1,-0.3 -119,-0.0 -0.460 81.7 28.9 -64.1 127.2 35.0 86.3 155.4 708 126 F G T 3 S+ 0 0 78 1,-0.3 -1,-0.3 -2,-0.2 2,-0.2 0.567 93.1 122.7 101.0 9.7 37.4 89.2 155.7 709 127 F i < - 0 0 25 -3,-1.6 2,-0.8 -122,-0.1 -1,-0.3 -0.505 69.5-116.6-100.2 170.4 37.5 90.2 152.1 710 128 F R 0 0 236 1,-0.2 -3,-0.1 -2,-0.2 -1,-0.0 -0.626 360.0 360.0-106.3 68.0 36.7 93.5 150.6 711 129 F L 0 0 77 -2,-0.8 -1,-0.2 -5,-0.2 -5,-0.0 0.543 360.0 360.0-121.3 360.0 33.7 92.5 148.4