==== 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 TRANSFERASE 16-JUL-99 1C0M . COMPND 2 MOLECULE: PROTEIN (INTEGRASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ROUS SARCOMA VIRUS; . AUTHOR Z.-N.YANG,T.C.MUESER,F.D.BUSHMAN,C.C.HYDE . 875 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41462.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 592 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 64 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 245 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.1 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 4 0 4 0 0 0 4 0 0 1 0 4 1 2 0 0 2 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 5 2 1 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 . 0 0 4 4 6 6 4 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 0 0 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 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 49 A G 0 0 62 0, 0.0 2,-1.9 0, 0.0 210,-1.7 0.000 360.0 360.0 360.0 -18.5 7.8 10.9 21.1 2 50 A V + 0 0 131 208,-0.2 208,-0.1 2,-0.1 3,-0.1 -0.010 360.0 174.2 -69.3 36.1 9.5 8.2 19.1 3 51 A N - 0 0 23 -2,-1.9 2,-2.2 208,-0.2 101,-0.1 -0.034 46.3 -98.9 -44.0 147.2 6.8 8.6 16.5 4 52 A P S S+ 0 0 13 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.475 79.7 125.0 -75.5 79.1 7.4 6.5 13.3 5 53 A R - 0 0 69 -2,-2.2 31,-0.1 -3,-0.1 8,-0.1 -0.928 49.6-144.9-141.2 113.1 8.8 9.3 11.2 6 54 A G - 0 0 4 6,-0.4 4,-0.1 -2,-0.4 -3,-0.0 -0.378 9.9-142.4 -74.1 154.9 12.2 9.0 9.5 7 55 A L S S+ 0 0 45 1,-0.1 -1,-0.1 2,-0.1 163,-0.1 0.750 88.9 19.0 -86.0 -26.5 14.4 12.0 9.1 8 56 A G S > S- 0 0 6 1,-0.1 3,-0.9 161,-0.1 4,-0.4 -0.903 101.4 -74.5-137.7 164.4 15.5 10.8 5.7 9 57 A P T 3 S+ 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.097 110.1 24.8 -56.3 159.9 14.1 8.4 3.1 10 58 A L T 3 S+ 0 0 47 2,-0.1 58,-1.5 1,-0.1 3,-0.1 0.628 96.4 95.4 59.4 18.2 14.4 4.6 3.7 11 59 A Q S < S+ 0 0 87 -3,-0.9 58,-1.0 1,-0.3 2,-0.4 0.852 91.5 14.2 -97.1 -54.9 14.6 4.9 7.4 12 60 A I E -a 69 0A 44 -4,-0.4 23,-2.1 56,-0.2 -6,-0.4 -0.963 62.9-177.8-132.3 122.1 10.9 4.4 8.4 13 61 A W E -aB 70 34A 0 56,-2.7 58,-3.8 -2,-0.4 2,-0.4 -0.803 13.0-153.2-111.4 154.5 8.0 3.0 6.4 14 62 A Q E -aB 71 33A 2 19,-2.0 19,-2.3 -2,-0.3 2,-0.3 -0.997 16.6-171.9-127.2 121.7 4.3 2.6 7.4 15 63 A T E + B 0 32A 0 56,-2.0 2,-0.3 -2,-0.4 17,-0.3 -0.822 10.2 161.5-114.7 158.9 2.3 -0.1 5.6 16 64 A D E - B 0 31A 14 15,-2.2 15,-3.3 -2,-0.3 2,-0.4 -0.973 34.1-119.5-164.7 167.9 -1.4 -0.8 5.8 17 65 A F E - B 0 30A 26 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.971 29.0-178.5-121.2 136.5 -4.3 -2.4 4.1 18 66 A T E - B 0 29A 17 11,-2.3 11,-2.8 -2,-0.4 2,-0.4 -1.000 23.5-127.9-138.7 137.2 -7.3 -0.4 2.9 19 67 A L E - B 0 28A 59 -2,-0.4 9,-0.2 9,-0.2 3,-0.1 -0.707 20.2-174.3 -87.7 130.8 -10.5 -1.6 1.3 20 68 A E > - 0 0 10 7,-3.0 3,-2.4 -2,-0.4 4,-0.1 -0.866 8.9-168.3-126.9 96.0 -11.5 0.1 -1.9 21 69 A P G > S+ 0 0 87 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.828 86.0 68.9 -51.9 -33.1 -15.0 -1.1 -3.1 22 70 A R G 3 S+ 0 0 47 1,-0.3 110,-2.7 109,-0.1 108,-0.1 0.773 98.3 51.0 -58.6 -25.5 -14.3 0.6 -6.4 23 71 A M G < S+ 0 0 0 -3,-2.4 3,-0.4 4,-0.2 -1,-0.3 0.142 95.5 173.6 -99.6 19.2 -11.6 -2.1 -7.1 24 72 A A < + 0 0 26 -3,-1.9 108,-0.0 1,-0.3 22,-0.0 -0.298 51.0 37.0 -67.1 158.2 -13.8 -5.2 -6.4 25 73 A P S S+ 0 0 94 0, 0.0 2,-1.7 0, 0.0 -1,-0.3 -0.939 135.7 31.9 -68.3 -29.5 -13.7 -8.1 -6.5 26 74 A R S S+ 0 0 109 -3,-0.4 19,-0.3 1,-0.2 -2,-0.1 -0.483 79.5 153.8 -88.1 68.7 -10.0 -7.7 -5.5 27 75 A S + 0 0 16 -2,-1.7 -7,-3.0 19,-0.2 2,-0.6 0.297 29.6 108.5 -82.7 9.2 -10.7 -4.6 -3.4 28 76 A W E -BC 19 45A 85 17,-1.6 17,-2.5 -9,-0.2 2,-0.5 -0.774 47.5-169.5 -91.7 119.6 -7.8 -4.9 -1.0 29 77 A L E -BC 18 44A 0 -11,-2.8 -11,-2.3 -2,-0.6 2,-0.5 -0.937 11.9-149.8-111.0 123.1 -5.1 -2.3 -1.5 30 78 A A E -BC 17 43A 0 13,-2.2 13,-1.4 -2,-0.5 2,-0.4 -0.798 22.2-166.5 -87.9 126.2 -1.8 -2.7 0.4 31 79 A V E +BC 16 42A 0 -15,-3.3 -15,-2.2 -2,-0.5 2,-0.4 -0.961 13.8 179.3-123.4 133.7 -0.4 0.7 1.0 32 80 A T E -BC 15 41A 0 9,-2.1 9,-2.1 -2,-0.4 2,-0.4 -0.983 4.9-169.7-130.5 140.9 3.1 1.8 2.1 33 81 A V E -BC 14 40A 2 -19,-2.3 -19,-2.0 -2,-0.4 2,-0.9 -0.997 25.3-130.6-133.4 130.7 4.4 5.3 2.7 34 82 A D E > -B 13 0A 0 5,-1.9 4,-2.8 -2,-0.4 -21,-0.2 -0.699 23.5-145.4 -77.5 109.4 8.0 6.3 3.3 35 83 A T T 4 S+ 0 0 5 -23,-2.1 -1,-0.2 -2,-0.9 -22,-0.1 0.574 91.5 45.3 -57.6 -8.7 7.5 8.5 6.3 36 84 A A T 4 S+ 0 0 31 -24,-0.3 -1,-0.2 -28,-0.1 -23,-0.1 0.873 125.1 23.3-101.3 -48.3 10.3 10.8 5.2 37 85 A S T 4 S- 0 0 1 -29,-0.1 126,-0.2 2,-0.1 127,-0.2 0.680 92.3-136.9 -90.4 -22.4 9.8 11.5 1.5 38 86 A S < + 0 0 16 -4,-2.8 -3,-0.1 1,-0.2 123,-0.1 0.442 50.9 146.2 80.4 0.4 6.1 10.6 1.5 39 87 A A - 0 0 0 121,-0.3 -5,-1.9 -5,-0.2 2,-0.3 -0.275 33.6-150.4 -63.8 157.5 6.2 8.6 -1.7 40 88 A I E -C 33 0A 1 -7,-0.2 2,-0.4 105,-0.2 -7,-0.2 -0.955 17.2-158.6-136.9 156.8 3.8 5.7 -1.8 41 89 A V E -C 32 0A 0 -9,-2.1 -9,-2.1 -2,-0.3 2,-0.4 -0.997 13.2-177.8-133.5 134.0 3.4 2.2 -3.2 42 90 A V E -C 31 0A 6 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.983 4.5-179.5-134.7 141.9 0.2 0.4 -3.7 43 91 A T E -C 30 0A 19 -13,-1.4 -13,-2.2 -2,-0.4 2,-0.4 -0.943 27.0-118.9-134.7 155.5 -0.6 -3.1 -5.0 44 92 A Q E +C 29 0A 27 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.775 31.1 178.7-100.5 142.3 -3.9 -4.8 -5.4 45 93 A H E -C 28 0A 10 -17,-2.5 -17,-1.6 -2,-0.4 3,-0.1 -0.997 32.4-146.9-143.2 145.7 -4.8 -8.0 -3.6 46 94 A G S S+ 0 0 45 -2,-0.3 2,-0.3 1,-0.2 -19,-0.2 0.554 89.5 22.6 -87.9 -3.7 -7.8 -10.3 -3.5 47 95 A R S S- 0 0 181 -19,-0.1 2,-1.1 -21,-0.1 -1,-0.2 -0.962 78.4-114.3-163.2 138.4 -7.1 -11.2 0.2 48 96 A V + 0 0 53 -2,-0.3 2,-0.3 -3,-0.1 29,-0.1 -0.638 61.1 141.8 -77.9 100.3 -5.3 -9.8 3.2 49 97 A T > - 0 0 28 -2,-1.1 4,-2.7 1,-0.1 5,-0.2 -0.906 66.4-112.0-138.5 166.5 -2.5 -12.3 3.7 50 98 A S H > S+ 0 0 23 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.890 120.0 53.6 -62.2 -40.2 1.1 -12.7 4.7 51 99 A V H > S+ 0 0 48 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.938 109.0 47.6 -60.8 -46.7 1.8 -13.8 1.2 52 100 A A H > S+ 0 0 8 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.952 112.0 50.2 -60.2 -48.5 0.1 -10.7 -0.2 53 101 A V H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.885 110.8 48.9 -57.2 -42.3 2.0 -8.4 2.2 54 102 A Q H X S+ 0 0 13 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.933 111.6 48.5 -65.0 -44.5 5.4 -10.0 1.3 55 103 A H H X S+ 0 0 54 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.898 112.0 53.6 -60.5 -37.7 4.6 -9.6 -2.4 56 104 A H H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.910 109.7 42.7 -65.2 -48.9 3.7 -6.0 -1.6 57 105 A W H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.3 0.879 108.4 59.3 -68.4 -36.7 6.8 -5.0 0.1 58 106 A A H X S+ 0 0 1 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.897 109.4 47.0 -57.5 -36.1 9.0 -6.8 -2.5 59 107 A T H X S+ 0 0 33 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.937 111.3 48.7 -71.0 -46.3 7.3 -4.4 -4.9 60 108 A A H X S+ 0 0 0 -4,-2.2 4,-3.9 1,-0.2 5,-0.5 0.919 111.2 50.5 -59.2 -46.0 7.8 -1.3 -2.8 61 109 A I H X S+ 0 0 0 -4,-3.3 4,-2.8 1,-0.2 -1,-0.2 0.925 106.8 54.6 -57.8 -45.7 11.5 -2.2 -2.3 62 110 A A H < S+ 0 0 11 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.859 118.7 36.5 -57.7 -33.2 11.9 -2.7 -6.1 63 111 A V H < S+ 0 0 17 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.910 133.8 19.1 -86.5 -46.8 10.5 0.8 -6.5 64 112 A L H < S- 0 0 0 -4,-3.9 -3,-0.2 1,-0.3 -2,-0.2 0.492 104.6-111.9-105.2 -6.6 11.9 2.8 -3.5 65 113 A G < - 0 0 4 -4,-2.8 -1,-0.3 -5,-0.5 -2,-0.1 -0.264 54.2 -41.6 95.4 170.0 14.9 0.7 -2.3 66 114 A R - 0 0 90 -2,-0.1 2,-0.1 -4,-0.1 -5,-0.0 -0.594 57.7-146.2 -80.7 122.4 15.3 -1.2 0.9 67 115 A P - 0 0 0 0, 0.0 -56,-0.2 0, 0.0 3,-0.1 -0.404 12.5-135.0 -82.5 162.3 14.0 0.5 4.1 68 116 A K S S+ 0 0 136 -58,-1.5 25,-2.7 1,-0.3 2,-0.3 0.820 84.7 3.0 -84.7 -33.3 15.5 0.1 7.6 69 117 A A E -ad 12 93A 20 -58,-1.0 -56,-2.7 23,-0.2 2,-0.4 -0.997 57.8-153.1-155.1 149.7 12.2 -0.4 9.3 70 118 A I E -ad 13 94A 2 23,-2.4 25,-1.6 -2,-0.3 2,-0.4 -0.991 10.6-152.2-128.0 131.6 8.5 -0.7 8.7 71 119 A K E +ad 14 95A 19 -58,-3.8 -56,-2.0 -2,-0.4 2,-0.2 -0.875 29.5 147.8-103.0 131.8 5.7 0.1 11.1 72 120 A T E - d 0 96A 0 23,-2.4 25,-2.3 -2,-0.4 2,-0.2 -0.699 41.8 -94.7-141.5-166.5 2.4 -1.7 10.9 73 121 A D - 0 0 20 23,-0.3 25,-0.1 -2,-0.2 5,-0.1 -0.533 48.6 -83.1-110.6-176.9 -0.4 -2.8 13.2 74 122 A N S S+ 0 0 81 -2,-0.2 5,-0.2 23,-0.1 22,-0.1 0.371 73.8 144.4 -69.2 4.0 -1.0 -6.2 15.0 75 123 A G >> - 0 0 22 1,-0.1 4,-1.8 3,-0.1 3,-1.6 -0.077 60.2-122.8 -44.7 141.6 -2.7 -7.7 12.0 76 124 A S H 3> S+ 0 0 101 1,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.802 110.5 63.6 -61.3 -28.6 -2.0 -11.4 11.6 77 125 A C H 34 S+ 0 0 8 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.749 111.3 38.8 -67.3 -21.2 -0.5 -10.8 8.1 78 126 A F H <4 S+ 0 0 3 -3,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.763 118.4 44.2 -96.8 -32.1 2.2 -8.7 9.8 79 127 A T H < S+ 0 0 46 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.1 0.420 83.8 123.1 -95.2 1.4 2.9 -10.6 13.0 80 128 A S S X S- 0 0 28 -4,-1.1 4,-3.0 -5,-0.2 3,-0.3 -0.324 72.8-122.3 -67.2 144.5 3.0 -14.1 11.4 81 129 A K H > S+ 0 0 165 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.830 113.9 58.3 -52.9 -31.2 6.0 -16.2 11.8 82 130 A S H > S+ 0 0 54 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.935 111.2 36.3 -66.0 -48.8 6.1 -16.2 8.0 83 131 A T H > S+ 0 0 0 -3,-0.3 4,-3.3 2,-0.2 5,-0.2 0.858 113.1 59.0 -72.6 -37.2 6.3 -12.4 7.5 84 132 A R H X S+ 0 0 109 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.855 110.0 43.7 -60.4 -36.2 8.5 -12.0 10.6 85 133 A E H X S+ 0 0 91 -4,-1.5 4,-2.1 -5,-0.3 -1,-0.2 0.806 111.1 55.3 -77.5 -32.3 11.1 -14.4 9.0 86 134 A W H X S+ 0 0 3 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.976 110.3 44.4 -64.5 -55.0 10.6 -12.6 5.6 87 135 A L H X>S+ 0 0 4 -4,-3.3 5,-2.3 1,-0.2 4,-0.8 0.926 111.4 55.1 -53.4 -48.2 11.5 -9.2 7.2 88 136 A A H ><5S+ 0 0 69 -4,-1.8 3,-0.7 -5,-0.2 -1,-0.2 0.881 106.4 50.1 -53.9 -43.9 14.4 -10.8 9.1 89 137 A R H 3<5S+ 0 0 163 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.899 111.5 48.3 -63.1 -39.9 15.9 -12.1 5.8 90 138 A W H 3<5S- 0 0 34 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.574 112.0-125.2 -75.7 -8.2 15.6 -8.6 4.3 91 139 A G T <<5 + 0 0 50 -4,-0.8 2,-0.5 -3,-0.7 -3,-0.2 0.844 60.1 147.6 66.5 34.2 17.2 -7.3 7.4 92 140 A I < - 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0 0 26 1,-0.1 3,-2.1 3,-0.0 4,-1.4 -0.407 66.0-106.6 -72.9 154.0 31.7 71.6 48.7 733 124 D S H 3> S+ 0 0 103 1,-0.3 4,-0.8 2,-0.2 -1,-0.1 0.806 116.7 63.2 -49.4 -36.4 27.9 71.2 48.7 734 125 D C H 34 S+ 0 0 12 1,-0.2 -1,-0.3 2,-0.2 -24,-0.1 0.722 109.8 39.3 -64.5 -21.6 27.9 70.2 45.0 735 126 D F H <4 S+ 0 0 3 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.720 119.5 43.4 -99.5 -24.0 29.9 67.1 45.7 736 127 D T H < S+ 0 0 45 -4,-1.4 -2,-0.2 4,-0.1 -3,-0.1 0.266 87.1 116.5-105.1 10.0 28.3 66.0 49.0 737 128 D S S X S- 0 0 26 -4,-0.8 4,-1.7 -5,-0.2 5,-0.1 -0.146 76.0-111.3 -72.0 172.3 24.7 66.6 48.0 738 129 D K H > S+ 0 0 149 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.912 114.9 47.7 -74.1 -41.5 22.2 63.8 47.9 739 130 D S H > S+ 0 0 51 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.914 111.0 51.6 -66.1 -41.3 21.7 63.8 44.1 740 131 D T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.945 110.9 47.8 -60.3 -47.9 25.4 63.8 43.5 741 132 D R H X S+ 0 0 114 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.918 115.6 44.1 -58.6 -46.4 26.0 60.8 45.7 742 133 D E H X S+ 0 0 85 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.891 110.4 57.9 -66.3 -37.5 23.2 58.9 44.1 743 134 D W H X S+ 0 0 2 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.957 110.2 41.0 -56.2 -54.5 24.4 60.0 40.7 744 135 D L H X>S+ 0 0 3 -4,-2.6 5,-2.2 1,-0.2 4,-1.0 0.903 111.7 57.2 -62.3 -41.2 27.9 58.5 41.3 745 136 D A H ><5S+ 0 0 71 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.933 106.7 48.9 -55.4 -47.4 26.3 55.4 42.9 746 137 D R H 3<5S+ 0 0 174 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.886 113.6 46.2 -61.3 -38.1 24.3 54.8 39.7 747 138 D W H 3<5S- 0 0 37 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.575 112.5-125.8 -79.5 -8.2 27.5 55.2 37.7 748 139 D G T <<5 + 0 0 40 -4,-1.0 2,-0.5 -3,-0.9 -3,-0.2 0.875 57.2 149.3 67.3 39.2 29.2 52.9 40.1 749 140 D I < - 0 0 9 -5,-2.2 -23,-0.2 -6,-0.1 2,-0.2 -0.917 47.9-125.4-112.4 128.5 32.0 55.4 40.9 750 141 D A E -d 726 0I 55 -25,-2.9 -23,-3.1 -2,-0.5 2,-0.5 -0.489 27.9-156.7 -69.1 131.8 33.8 55.6 44.2 751 142 D H E +d 727 0I 41 -2,-0.2 2,-0.3 -25,-0.2 -23,-0.2 -0.952 14.0 179.2-122.3 122.0 33.7 59.1 45.6 752 143 D T E -d 728 0I 67 -25,-2.5 -23,-1.9 -2,-0.5 2,-0.3 -0.883 7.0-166.5-116.4 146.6 36.2 60.6 48.1 753 144 D T E +d 729 0I 61 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.3 -0.787 11.5 162.4-126.9 170.4 36.1 64.1 49.5 754 145 D G E -d 730 0I 18 -25,-0.5 -23,-0.8 -2,-0.3 3,-0.1 -0.966 48.0 -56.5-172.2 175.8 38.6 66.3 51.4 755 146 D I > - 0 0 118 -2,-0.3 3,-3.0 -25,-0.2 7,-0.0 -0.504 69.2 -92.9 -72.1 133.0 39.4 69.9 52.4 756 147 D P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.151 113.2 19.2 -46.8 125.2 39.8 72.2 49.5 757 148 D G T 3 S+ 0 0 27 1,-0.3 5,-0.2 -3,-0.1 -2,-0.1 0.086 81.1 152.8 100.3 -21.0 43.4 72.4 48.5 758 149 D N X> - 0 0 32 -3,-3.0 3,-1.3 1,-0.2 4,-0.9 -0.181 39.7-148.9 -48.4 115.3 44.4 69.2 50.2 759 150 D S H >> S+ 0 0 93 1,-0.3 4,-1.0 3,-0.2 3,-0.7 0.883 87.2 80.9 -54.3 -40.2 47.4 68.0 48.2 760 151 D Q H 34 S- 0 0 193 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.799 123.5 -9.8 -35.2 -45.1 46.4 64.4 49.0 761 152 D G H <4 S+ 0 0 4 -3,-1.3 -1,-0.2 2,-0.0 -2,-0.2 0.090 136.0 50.1-152.3 34.1 43.8 64.5 46.2 762 153 D Q H S+ 0 0 29 -5,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.881 112.4 45.6 -64.6 -44.1 46.9 67.8 40.6 765 156 D V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.815 110.3 57.7 -70.8 -26.3 43.5 69.2 39.5 766 157 D E H X S+ 0 0 68 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.959 107.3 46.1 -65.2 -49.5 44.6 72.5 41.0 767 158 D R H X S+ 0 0 107 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.863 109.6 56.6 -58.9 -36.9 47.7 72.5 38.8 768 159 D A H X S+ 0 0 6 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.898 99.6 58.7 -63.3 -39.7 45.3 71.6 36.0 769 160 D N H X S+ 0 0 12 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.954 108.2 45.4 -52.4 -53.6 43.2 74.7 36.7 770 161 D R H X S+ 0 0 132 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.875 112.0 50.1 -59.7 -43.2 46.3 76.9 36.1 771 162 D L H X S+ 0 0 57 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.938 112.2 48.7 -62.4 -45.1 47.3 75.1 32.9 772 163 D L H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.963 112.4 47.4 -57.5 -56.0 43.8 75.4 31.5 773 164 D K H X S+ 0 0 64 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.883 110.3 53.3 -55.1 -41.6 43.6 79.1 32.4 774 165 D D H X S+ 0 0 79 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.949 111.2 45.7 -60.3 -47.5 47.0 79.8 30.8 775 166 D R H X S+ 0 0 102 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.921 110.2 53.8 -62.4 -42.4 45.9 78.1 27.6 776 167 D I H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.2 5,-0.3 0.937 108.9 50.3 -57.8 -44.3 42.7 80.0 27.6 777 168 D R H X S+ 0 0 105 -4,-2.6 4,-3.3 1,-0.2 5,-0.4 0.966 112.9 44.0 -57.2 -57.3 44.6 83.2 27.9 778 169 D V H X S+ 0 0 59 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.850 116.9 45.9 -58.0 -39.9 47.0 82.5 25.0 779 170 D L H X S+ 0 0 25 -4,-2.8 4,-1.0 -5,-0.2 -1,-0.2 0.941 115.8 46.1 -69.5 -46.9 44.2 81.2 22.7 780 171 D A H ><>S+ 0 0 0 -4,-2.9 5,-2.8 -5,-0.3 3,-0.9 0.964 119.4 39.1 -58.7 -56.5 41.9 84.1 23.6 781 172 D E H ><5S+ 0 0 73 -4,-3.3 3,-2.4 -5,-0.3 -1,-0.2 0.893 110.8 60.7 -62.8 -37.7 44.6 86.8 23.2 782 173 D G H 3<5S+ 0 0 69 -4,-2.1 -1,-0.3 -5,-0.4 -2,-0.2 0.760 107.1 46.6 -60.9 -21.6 46.0 85.0 20.2 783 174 D D T <<5S- 0 0 99 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.189 128.4 -98.0-105.2 14.8 42.6 85.4 18.5 784 175 D G T < 5S+ 0 0 56 -3,-2.4 2,-0.8 1,-0.2 -3,-0.2 0.620 82.7 129.7 82.0 13.8 42.4 89.1 19.5 785 176 D F < + 0 0 30 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.866 22.2 168.6-103.7 103.1 40.2 88.8 22.6 786 177 D M S S+ 0 0 116 -2,-0.8 -1,-0.1 2,-0.1 2,-0.1 0.595 70.6 17.4 -88.5 -13.4 42.0 90.8 25.3 787 178 D K S S+ 0 0 164 1,-0.4 -2,-0.1 -7,-0.1 -108,-0.0 -0.156 121.5 0.6-126.8-137.7 39.0 90.7 27.7 788 179 D R S S- 0 0 122 -2,-0.1 -1,-0.4 1,-0.1 -109,-0.2 -0.318 75.0-122.7 -58.1 134.2 35.8 88.6 27.9 789 180 D I - 0 0 0 -110,-2.5 5,-0.2 1,-0.1 -1,-0.1 -0.662 36.3 -97.9 -80.4 130.9 35.8 86.0 25.1 790 181 D P >> - 0 0 34 0, 0.0 4,-1.0 0, 0.0 3,-0.7 -0.129 30.4-126.2 -46.8 143.5 32.7 86.4 22.9 791 182 D T H >> S+ 0 0 74 1,-0.2 3,-0.9 2,-0.2 4,-0.6 0.915 107.0 57.3 -62.3 -44.2 30.1 83.9 23.9 792 183 D S H 34 S+ 0 0 82 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.746 112.1 44.1 -60.5 -22.3 29.6 82.4 20.5 793 184 D K H <> S+ 0 0 93 -3,-0.7 4,-2.0 1,-0.1 -1,-0.2 0.610 90.1 85.7 -97.6 -14.5 33.3 81.6 20.4 794 185 D Q H S+ 0 0 46 -4,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.921 112.2 51.2 -60.6 -49.0 35.4 76.3 20.4 797 188 D L H X S+ 0 0 10 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.929 108.6 52.2 -57.3 -45.3 38.2 77.9 22.4 798 189 D L H X S+ 0 0 9 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.935 112.0 46.3 -56.5 -45.0 37.5 75.6 25.3 799 190 D A H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.893 109.8 54.3 -65.2 -37.9 37.8 72.6 22.9 800 191 D K H X S+ 0 0 91 -4,-3.2 4,-1.9 2,-0.2 -1,-0.2 0.914 107.0 51.8 -62.6 -39.8 40.9 74.1 21.5 801 192 D A H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 3,-0.3 0.957 109.4 48.0 -60.7 -51.8 42.4 74.3 24.9 802 193 D M H X S+ 0 0 31 -4,-2.2 4,-2.6 1,-0.2 5,-0.4 0.885 108.6 56.0 -56.3 -40.2 41.7 70.6 25.7 803 194 D Y H X S+ 0 0 34 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.904 113.2 40.4 -59.3 -42.0 43.2 69.7 22.3 804 195 D A H X S+ 0 0 12 -4,-1.9 4,-1.3 -3,-0.3 -2,-0.2 0.922 116.3 48.3 -72.9 -47.6 46.4 71.4 23.2 805 196 D L H < S+ 0 0 33 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.850 124.6 30.4 -62.1 -36.4 46.5 70.3 26.9 806 197 D N H < S+ 0 0 8 -4,-2.6 12,-2.4 -5,-0.3 13,-0.3 0.750 124.2 40.0 -97.4 -29.3 45.8 66.7 25.9 807 198 D H H < S+ 0 0 33 -4,-2.2 2,-0.4 -5,-0.4 -3,-0.2 0.529 106.9 68.7 -98.8 -8.7 47.3 66.1 22.4 808 199 D K S < S- 0 0 110 -4,-1.3 7,-0.1 -5,-0.2 10,-0.1 -0.901 84.9-112.5-115.1 141.5 50.5 68.1 22.9 809 200 D E - 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