==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-JUN-11 3ZR4 . COMPND 2 MOLECULE: IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE SUBUNIT HIS . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR M.C.VEGA,J.KUPER,M.C.HAEGER,J.MOHRLUEDER,S.MARQUARDT,R.STERN . 1332 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53596.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 996 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 192 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.4 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 . 15 1.1 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 . 108 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 338 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.2 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 3 6 0 3 0 6 16 5 0 1 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 10 15 3 6 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 7 2 8 2 3 3 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 3 0 0 0 3 0 0 0 3 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 M 0 0 108 0, 0.0 368,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 163.4 53.2 40.9 9.6 2 2 A L - 0 0 27 366,-0.2 2,-0.3 399,-0.1 366,-0.2 -0.392 360.0-128.4 -65.3 134.5 52.1 38.8 6.6 3 3 A A - 0 0 3 364,-2.6 2,-0.3 -2,-0.1 364,-0.3 -0.592 11.5-117.2 -89.7 142.7 54.3 35.7 6.1 4 4 A K B -a 238 0A 63 233,-2.9 235,-0.6 -2,-0.3 2,-0.4 -0.616 43.0-126.0 -67.2 132.0 56.0 34.5 3.0 5 5 A R E -b 210 0B 4 204,-1.5 206,-2.5 -2,-0.3 2,-0.7 -0.683 15.9-155.3 -95.6 136.7 54.4 31.2 2.2 6 6 A I E -b 211 0B 0 -2,-0.4 29,-2.4 204,-0.2 30,-0.8 -0.925 23.4-166.5-106.8 106.5 56.1 27.9 1.7 7 7 A I E -bc 212 36B 0 204,-3.9 206,-2.1 -2,-0.7 2,-0.4 -0.819 9.2-152.6-104.4 134.4 53.8 25.7 -0.5 8 8 A A E -bc 213 37B 0 28,-2.4 30,-1.4 -2,-0.4 2,-0.5 -0.844 6.9-153.8-105.1 137.3 54.0 22.0 -1.2 9 9 A C E - c 0 38B 7 204,-2.0 2,-0.4 -2,-0.4 30,-0.2 -0.937 9.5-172.6-116.6 120.0 52.7 20.3 -4.3 10 10 A L E - c 0 39B 0 28,-2.5 30,-1.9 -2,-0.5 2,-0.5 -0.921 18.0-139.1-111.7 135.7 51.6 16.6 -4.5 11 11 A D E - c 0 40B 68 -2,-0.4 7,-2.8 28,-0.2 2,-0.3 -0.787 26.7-160.6 -89.7 126.8 50.6 14.7 -7.7 12 12 A V E +Dc 17 41B 0 28,-1.4 30,-1.8 -2,-0.5 2,-0.2 -0.720 17.8 171.6-109.8 160.6 47.6 12.5 -7.2 13 13 A K E > S-D 16 0B 75 3,-1.2 3,-1.9 -2,-0.3 -2,-0.0 -0.820 73.6 -8.2-167.6 129.2 46.1 9.4 -9.0 14 14 A D T 3 S- 0 0 105 1,-0.3 3,-0.1 -2,-0.2 34,-0.0 0.758 131.7 -55.2 51.1 30.1 43.3 7.0 -8.1 15 15 A G T 3 S+ 0 0 26 1,-0.2 2,-0.4 6,-0.0 -1,-0.3 0.690 121.1 108.7 76.0 22.1 43.4 8.8 -4.7 16 16 A R E < S-D 13 0B 141 -3,-1.9 -3,-1.2 5,-0.1 2,-0.3 -0.995 75.8-110.1-135.9 138.0 47.1 8.1 -4.3 17 17 A V E D 12 0B 31 3,-2.1 -5,-0.3 -2,-0.4 -7,-0.0 -0.478 360.0 360.0 -65.8 117.8 50.2 10.3 -4.4 18 18 A V 0 0 113 -7,-2.8 -1,-0.2 -2,-0.3 -6,-0.1 0.880 360.0 360.0 -84.2 360.0 52.2 9.5 -7.5 19 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 20 30 A G 0 0 61 0, 0.0 -3,-2.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-160.6 51.6 7.6 -0.0 21 31 A D > - 0 0 52 -5,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.788 360.0-142.2 -80.1 116.5 48.0 8.4 1.2 22 32 A P H > S+ 0 0 5 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.811 101.8 49.7 -55.9 -37.8 47.5 12.0 0.2 23 33 A V H > S+ 0 0 4 2,-0.2 4,-1.8 3,-0.1 5,-0.2 0.951 112.5 50.1 -60.9 -50.2 45.5 12.8 3.4 24 34 A E H >> S+ 0 0 119 2,-0.2 4,-2.3 1,-0.2 3,-0.6 0.963 114.3 41.2 -48.8 -65.6 48.4 11.1 5.3 25 35 A L H 3X S+ 0 0 44 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.865 114.8 51.1 -57.3 -42.2 51.2 13.1 3.7 26 36 A G H 3X S+ 0 0 0 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.807 109.2 51.1 -64.7 -31.5 49.3 16.4 3.7 27 37 A K H S+ 0 0 6 -4,-2.7 5,-2.7 1,-0.2 4,-1.0 0.879 107.6 51.7 -65.2 -34.7 53.1 18.5 5.9 30 40 A S H <5S+ 0 0 2 -4,-1.7 398,-0.3 1,-0.2 -1,-0.2 0.819 109.0 50.7 -65.0 -32.7 50.8 20.5 8.1 31 41 A E H <5S+ 0 0 111 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.698 111.0 47.7 -81.4 -21.0 52.6 19.1 11.2 32 42 A I H <5S- 0 0 50 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.568 125.6 -95.6 -99.7 -10.4 56.1 20.0 9.9 33 43 A G T <5 + 0 0 5 -4,-1.0 -3,-0.2 1,-0.3 -27,-0.2 0.644 62.6 156.6 114.2 17.2 55.1 23.5 8.9 34 44 A I < - 0 0 0 -5,-2.7 -1,-0.3 -6,-0.1 -27,-0.2 -0.472 34.4-146.5 -61.4 142.3 54.1 23.7 5.2 35 45 A D S S+ 0 0 0 -29,-2.4 2,-0.3 1,-0.3 -28,-0.2 0.694 71.4 3.1 -90.2 -21.7 51.8 26.7 4.8 36 46 A E E -c 7 0B 2 -30,-0.8 -28,-2.4 29,-0.1 2,-0.3 -0.978 61.0-138.4-164.2 149.7 49.6 25.3 2.0 37 47 A L E -ce 8 67B 0 29,-1.6 31,-1.7 -2,-0.3 2,-0.3 -0.788 12.4-169.1-111.7 154.2 49.0 22.2 -0.0 38 48 A V E -ce 9 68B 2 -30,-1.4 -28,-2.5 -2,-0.3 2,-0.6 -0.943 6.0-159.4-143.7 121.9 48.3 22.0 -3.7 39 49 A F E -ce 10 69B 0 29,-2.7 31,-2.5 -2,-0.3 2,-0.6 -0.923 1.8-165.1-105.3 118.6 47.2 18.8 -5.4 40 50 A L E -ce 11 70B 62 -30,-1.9 -28,-1.4 -2,-0.6 2,-0.4 -0.930 20.8-144.0-100.3 118.0 47.8 18.6 -9.2 41 51 A D E +c 12 0B 5 29,-2.9 -28,-0.1 -2,-0.6 -30,-0.1 -0.742 31.1 169.6-103.9 129.4 45.7 15.7 -10.6 42 52 A I + 0 0 90 -30,-1.8 -29,-0.1 -2,-0.4 -1,-0.1 0.269 27.0 142.2-118.8 7.7 46.6 13.3 -13.4 43 53 A T - 0 0 4 -31,-0.2 5,-0.1 5,-0.1 -30,-0.0 -0.128 63.7 -86.3 -47.0 151.2 43.9 10.6 -13.1 44 54 A A - 0 0 52 1,-0.1 4,-0.3 4,-0.1 -30,-0.0 0.471 42.4-101.8 -45.7-161.6 42.7 9.3 -16.6 45 55 A S S S+ 0 0 118 2,-0.1 4,-0.5 3,-0.1 -1,-0.1 0.811 116.9 49.0 -96.8 -40.1 40.0 11.1 -18.4 46 56 A V S S+ 0 0 135 1,-0.2 3,-0.1 2,-0.1 -3,-0.0 0.840 120.9 35.4 -69.1 -30.4 37.0 8.8 -17.7 47 57 A E S > S+ 0 0 104 1,-0.1 4,-1.8 2,-0.1 3,-0.5 0.717 89.3 92.0 -97.5 -26.9 37.8 8.6 -13.9 48 58 A K H > S+ 0 0 36 -4,-0.3 4,-3.5 1,-0.2 5,-0.4 0.838 78.6 61.8 -38.4 -59.4 39.0 12.2 -13.1 49 59 A R H > S+ 0 0 112 -4,-0.5 4,-1.2 1,-0.2 -1,-0.2 0.830 114.9 26.9 -35.6 -67.6 35.6 13.6 -12.1 50 60 A K H > S+ 0 0 117 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.722 119.6 57.0 -80.7 -20.1 34.7 11.4 -9.2 51 61 A T H X S+ 0 0 28 -4,-1.8 4,-2.6 -3,-0.3 3,-0.4 0.948 106.1 49.8 -71.1 -49.0 38.2 10.6 -8.2 52 62 A M H X S+ 0 0 2 -4,-3.5 4,-2.2 -5,-0.3 -2,-0.2 0.877 110.1 55.0 -58.0 -34.0 39.0 14.3 -7.8 53 63 A L H X S+ 0 0 13 -4,-1.2 4,-2.5 -5,-0.4 -1,-0.3 0.857 108.0 44.7 -67.3 -38.2 35.9 14.5 -5.7 54 64 A E H X S+ 0 0 92 -4,-1.6 4,-3.2 -3,-0.4 5,-0.2 0.873 110.9 55.8 -76.1 -34.4 36.9 11.7 -3.2 55 65 A L H X S+ 0 0 6 -4,-2.6 4,-3.6 2,-0.2 5,-0.3 0.980 112.6 40.4 -53.2 -62.5 40.3 13.2 -2.9 56 66 A V H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.942 115.7 53.7 -51.8 -48.2 38.9 16.6 -1.9 57 67 A E H < S+ 0 0 49 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.864 114.9 39.4 -55.3 -41.1 36.4 14.7 0.2 58 68 A K H >X S+ 0 0 72 -4,-3.2 3,-1.4 2,-0.2 4,-0.7 0.947 116.7 47.8 -76.0 -50.2 39.1 12.8 2.0 59 69 A V H >X S+ 0 0 0 -4,-3.6 4,-2.3 1,-0.3 3,-2.3 0.962 110.0 53.9 -54.1 -53.3 41.6 15.7 2.3 60 70 A A H 3< S+ 0 0 2 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.541 100.5 62.2 -59.8 -12.9 38.9 18.1 3.6 61 71 A E H <4 S+ 0 0 94 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.691 122.8 14.1 -83.9 -21.6 37.9 15.6 6.3 62 72 A Q H << S+ 0 0 63 -3,-2.3 2,-0.2 -4,-0.7 -2,-0.2 0.551 95.3 101.4-134.6 -12.5 41.4 15.8 8.0 63 73 A I < - 0 0 3 -4,-2.3 -36,-0.1 -5,-0.2 4,-0.1 -0.598 42.3-167.3 -86.1 143.7 43.5 18.7 6.8 64 74 A D + 0 0 37 -2,-0.2 363,-2.8 2,-0.1 366,-0.1 0.060 67.4 61.0-118.0 19.3 43.8 21.9 9.0 65 75 A I S S- 0 0 0 361,-0.2 361,-0.1 362,-0.0 -29,-0.1 -0.913 97.0 -78.7-133.7 166.0 45.4 24.2 6.5 66 76 A P - 0 0 0 0, 0.0 -29,-1.6 0, 0.0 2,-0.3 -0.286 46.3-168.0 -62.9 150.3 44.2 25.6 3.1 67 77 A F E -e 37 0B 1 -31,-0.2 22,-1.1 -4,-0.1 21,-1.1 -0.995 10.9-150.6-141.2 143.3 44.5 23.3 0.1 68 78 A T E -ef 38 89B 4 -31,-1.7 -29,-2.7 -2,-0.3 2,-0.4 -0.877 11.0-154.9-106.5 143.4 44.2 23.9 -3.6 69 79 A V E +ef 39 90B 0 20,-2.3 22,-2.3 -2,-0.4 2,-0.3 -0.956 25.3 144.8-116.7 141.4 43.0 21.3 -6.1 70 80 A G E +e 40 0B 0 -31,-2.5 -29,-2.9 -2,-0.4 22,-0.1 -0.944 14.6 111.8-159.0-167.7 43.8 21.1 -9.8 71 81 A G S S+ 0 0 23 20,-0.4 3,-0.1 -31,-0.3 -29,-0.1 0.388 95.8 1.4 96.1 118.1 44.6 19.2 -12.9 72 82 A G S S+ 0 0 27 1,-0.2 2,-1.0 2,-0.1 20,-0.1 0.796 71.4 160.4 45.4 44.8 42.0 19.2 -15.7 73 83 A I + 0 0 7 18,-0.3 20,-0.3 1,-0.2 22,-0.3 -0.856 9.8 166.7 -94.3 104.0 39.4 21.5 -14.2 74 84 A H + 0 0 125 -2,-1.0 2,-0.3 -3,-0.1 -1,-0.2 0.559 48.0 20.1-105.9 -15.3 37.7 22.3 -17.4 75 85 A D S > S- 0 0 67 1,-0.1 4,-2.5 27,-0.0 5,-0.1 -0.946 75.4-102.2-147.9 171.6 34.4 24.0 -16.4 76 86 A F H > S+ 0 0 40 -2,-0.3 4,-4.5 2,-0.2 5,-0.2 0.921 116.2 58.6 -59.2 -52.0 32.5 25.8 -13.7 77 87 A E H > S+ 0 0 122 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.911 109.8 45.0 -40.9 -52.3 30.4 22.6 -12.8 78 88 A T H > S+ 0 0 18 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.985 115.2 46.7 -60.0 -55.3 33.7 20.8 -12.1 79 89 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.937 113.4 51.0 -49.8 -52.6 35.0 23.8 -10.1 80 90 A S H X S+ 0 0 24 -4,-4.5 4,-2.6 1,-0.2 5,-0.2 0.887 108.9 47.7 -53.8 -51.1 31.7 24.1 -8.3 81 91 A E H X S+ 0 0 77 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.899 112.5 50.6 -59.4 -40.9 31.4 20.4 -7.2 82 92 A L H X>S+ 0 0 1 -4,-2.1 5,-2.0 -5,-0.2 4,-0.5 0.864 113.8 43.7 -67.9 -37.8 35.1 20.5 -5.9 83 93 A I H ><5S+ 0 0 19 -4,-2.2 3,-1.4 -5,-0.2 -2,-0.2 0.935 113.9 49.1 -72.0 -45.4 34.6 23.6 -3.8 84 94 A L H 3<5S+ 0 0 129 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.818 106.4 60.7 -63.0 -25.4 31.2 22.5 -2.4 85 95 A R H 3<5S- 0 0 71 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.694 131.8 -87.5 -70.0 -24.2 33.0 19.3 -1.6 86 96 A G T <<5S+ 0 0 1 -3,-1.4 2,-0.3 -4,-0.5 -3,-0.2 0.451 77.9 138.4 129.0 6.0 35.5 21.1 0.7 87 97 A A < - 0 0 5 -5,-2.0 -1,-0.3 1,-0.1 -19,-0.1 -0.594 47.9-142.3 -78.0 138.9 38.5 22.4 -1.3 88 98 A D S S- 0 0 47 -21,-1.1 2,-0.3 -2,-0.3 -20,-0.2 0.841 78.3 -12.7 -72.8 -30.8 39.5 25.9 -0.3 89 99 A K E -f 68 0B 4 -22,-1.1 -20,-2.3 -7,-0.1 2,-0.3 -0.987 59.0-134.8-160.7 160.9 40.3 26.7 -4.0 90 100 A V E -fg 69 115B 0 24,-2.4 26,-2.9 -2,-0.3 2,-0.4 -0.855 17.9-135.7-113.3 156.0 40.7 25.3 -7.5 91 101 A S E - g 0 116B 12 -22,-2.3 -20,-0.4 -2,-0.3 2,-0.4 -0.923 21.4-175.5-111.6 137.9 43.4 26.0 -10.0 92 102 A I E + g 0 117B 2 24,-1.7 26,-2.2 -2,-0.4 -18,-0.1 -0.988 17.1 151.3-132.9 144.0 42.5 26.6 -13.6 93 103 A N S >> S+ 0 0 26 -2,-0.4 4,-2.4 -20,-0.3 3,-1.5 0.363 73.8 29.4-133.5 -92.6 44.8 27.2 -16.6 94 104 A T H 3> S+ 0 0 20 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.910 125.3 47.3 -45.0 -57.5 43.8 26.1 -20.1 95 105 A A H 3> S+ 0 0 8 -22,-0.3 4,-0.8 1,-0.2 -1,-0.3 0.725 110.7 54.7 -59.4 -24.3 40.0 26.6 -19.3 96 106 A A H <4 S+ 0 0 0 -3,-1.5 3,-0.5 2,-0.2 -1,-0.2 0.977 111.4 42.5 -69.9 -55.6 41.0 30.0 -17.8 97 107 A V H < S+ 0 0 18 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.1 0.868 117.9 44.9 -57.2 -44.2 42.7 31.1 -21.0 98 108 A E H < S+ 0 0 109 -4,-2.6 -1,-0.2 1,-0.2 -3,-0.2 0.714 131.5 20.8 -73.1 -22.5 40.0 29.8 -23.4 99 109 A N >< + 0 0 76 -4,-0.8 3,-2.1 -3,-0.5 4,-0.3 -0.580 64.9 178.3-150.3 79.2 37.2 31.1 -21.3 100 110 A P T >> S+ 0 0 29 0, 0.0 3,-0.7 0, 0.0 4,-0.7 0.651 77.0 70.6 -66.9 -17.7 38.1 34.0 -18.9 101 111 A S H 3> S+ 0 0 50 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.642 83.7 74.4 -69.5 -13.3 34.6 34.5 -17.5 102 112 A L H <> S+ 0 0 3 -3,-2.1 4,-2.5 -7,-0.3 -1,-0.2 0.901 92.2 54.1 -62.5 -40.9 35.1 31.1 -15.8 103 113 A I H <> S+ 0 0 0 -3,-0.7 4,-3.0 -4,-0.3 -1,-0.2 0.891 111.4 43.3 -55.8 -43.6 37.4 33.0 -13.4 104 114 A T H X S+ 0 0 31 -4,-0.7 4,-3.4 2,-0.2 5,-0.3 0.920 109.7 55.6 -77.3 -41.6 34.6 35.5 -12.6 105 115 A Q H X S+ 0 0 50 -4,-3.0 4,-1.3 2,-0.2 -1,-0.2 0.931 114.4 41.6 -53.2 -45.8 32.0 32.8 -12.3 106 116 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.5 0.966 117.0 46.9 -65.7 -49.9 34.2 31.1 -9.7 107 117 A A H X S+ 0 0 3 -4,-3.0 4,-1.3 1,-0.2 -2,-0.2 0.871 114.4 46.6 -56.2 -42.8 35.2 34.4 -8.0 108 118 A Q H < S+ 0 0 44 -4,-3.4 -1,-0.2 3,-0.2 -2,-0.2 0.763 118.1 41.8 -74.2 -27.4 31.6 35.7 -7.8 109 119 A T H < S+ 0 0 50 -4,-1.3 -2,-0.2 -3,-0.3 -3,-0.2 0.909 135.6 11.4 -88.3 -47.7 30.2 32.4 -6.5 110 120 A F H < S- 0 0 43 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.365 114.7 -96.9-112.1 4.4 32.8 31.3 -4.0 111 121 A G >< - 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0 0 34 -9,-2.3 -1,-0.2 -2,-0.8 -8,-0.1 0.530 35.1-126.4 -74.7 -9.3 48.5 31.0 -27.3 140 150 A G E + 0 0 47 -10,-0.4 2,-0.5 1,-0.3 -9,-0.1 0.682 67.4 135.7 62.7 19.7 50.3 33.9 -28.7 141 151 A I E -J 130 0B 60 -11,-0.6 -11,-3.4 3,-0.0 -1,-0.3 -0.862 58.0-122.2-101.8 130.5 49.1 35.9 -25.6 142 152 A L E > -J 129 0B 31 -2,-0.5 4,-2.3 -13,-0.2 -13,-0.3 -0.486 11.7-134.1 -70.0 134.7 51.5 38.1 -23.8 143 153 A L H > S+ 0 0 0 -15,-3.4 4,-3.4 1,-0.2 3,-0.4 0.961 108.6 56.6 -47.4 -55.4 52.0 37.3 -20.1 144 154 A R H > S+ 0 0 124 -16,-0.4 4,-1.3 1,-0.3 -1,-0.2 0.857 109.3 45.0 -48.2 -46.1 51.7 41.0 -19.4 145 155 A D H > S+ 0 0 98 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.863 114.9 48.7 -64.2 -37.0 48.3 41.0 -21.1 146 156 A W H X S+ 0 0 13 -4,-2.3 4,-2.9 -3,-0.4 -2,-0.2 0.904 106.4 55.2 -74.6 -41.3 47.2 37.8 -19.3 147 157 A V H X S+ 0 0 0 -4,-3.4 4,-1.6 2,-0.2 -1,-0.2 0.870 110.9 44.8 -56.9 -40.4 48.2 38.9 -15.8 148 158 A V H X S+ 0 0 75 -4,-1.3 4,-2.8 -5,-0.3 -1,-0.2 0.912 113.3 49.2 -73.5 -44.2 46.1 42.1 -16.0 149 159 A E H X S+ 0 0 51 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.964 107.8 56.4 -57.8 -48.8 43.1 40.4 -17.5 150 160 A V H <>S+ 0 0 0 -4,-2.9 5,-1.7 1,-0.2 4,-0.4 0.897 111.4 42.2 -50.7 -49.8 43.4 37.7 -14.7 151 161 A E H ><5S+ 0 0 65 -4,-1.6 3,-2.3 1,-0.2 -1,-0.2 0.983 113.9 52.1 -59.0 -53.5 43.2 40.4 -12.0 152 162 A K H 3<5S+ 0 0 159 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.817 105.2 55.9 -59.2 -31.2 40.4 42.2 -13.8 153 163 A R T 3<5S- 0 0 82 -4,-2.9 -1,-0.3 -5,-0.2 -46,-0.2 0.549 123.2 -99.4 -77.0 -8.4 38.3 39.0 -14.1 154 164 A G T < 5 + 0 0 19 -3,-2.3 -39,-0.2 -4,-0.4 -3,-0.2 0.414 63.3 156.6 109.9 -2.4 38.3 38.4 -10.4 155 165 A A < - 0 0 3 -5,-1.7 -1,-0.2 1,-0.1 -39,-0.1 -0.248 34.8-147.0 -61.9 145.0 41.0 35.7 -9.6 156 166 A G S S+ 0 0 3 -41,-1.4 2,-0.3 -44,-0.9 -40,-0.2 0.671 71.5 5.0 -79.7 -22.9 42.5 35.6 -6.1 157 167 A E E -h 116 0B 3 -42,-1.0 -40,-2.4 -45,-0.1 2,-0.5 -0.996 57.6-130.7-161.0 154.0 46.1 34.5 -7.0 158 168 A I E -hk 117 188B 0 29,-2.0 31,-2.6 -2,-0.3 2,-0.7 -0.982 9.0-161.0-111.0 125.7 48.5 33.7 -9.7 159 169 A L E -hk 118 189B 11 -42,-2.4 -40,-2.8 -2,-0.5 2,-0.7 -0.955 24.3-159.8 -94.4 113.3 50.5 30.5 -9.6 160 170 A L E -hk 119 190B 6 29,-3.9 31,-1.8 -2,-0.7 2,-0.5 -0.885 11.6-174.3-109.4 113.8 53.3 31.6 -12.0 161 171 A T E -hk 120 191B 17 -42,-3.5 -40,-1.5 -2,-0.7 2,-1.1 -0.919 18.9-150.2-112.3 127.3 55.3 28.8 -13.6 162 172 A S E >> -h 121 0B 6 29,-1.3 3,-1.4 -2,-0.5 4,-0.9 -0.788 15.3-153.6 -90.6 97.4 58.3 29.4 -15.8 163 173 A I G >4 S+ 0 0 37 -42,-1.6 3,-1.4 -2,-1.1 -1,-0.2 0.843 88.9 49.0 -38.0 -57.3 58.2 26.5 -18.2 164 174 A D G 34 S+ 0 0 94 -43,-0.3 -1,-0.3 1,-0.3 -42,-0.1 0.801 107.4 55.0 -61.9 -29.2 61.9 26.3 -19.0 165 175 A R G X> S+ 0 0 70 -3,-1.4 3,-2.0 27,-0.1 4,-0.6 0.676 80.4 115.1 -73.1 -18.8 63.0 26.5 -15.3 166 176 A D T << S+ 0 0 99 -3,-1.4 26,-0.0 -4,-0.9 6,-0.0 -0.382 89.0 0.5 -69.5 115.5 60.8 23.4 -14.4 167 177 A G T 34 S+ 0 0 68 -2,-0.3 -1,-0.3 27,-0.1 -2,-0.1 0.308 104.6 103.1 95.1 -4.4 63.0 20.5 -13.3 168 178 A T T <4 S- 0 0 70 -3,-2.0 -2,-0.1 3,-0.1 -3,-0.1 0.816 70.2-144.8 -81.7 -34.6 66.3 22.3 -13.7 169 179 A K < + 0 0 95 -4,-0.6 26,-0.2 25,-0.1 27,-0.1 0.400 65.4 124.2 72.1 5.0 67.2 23.2 -10.1 170 180 A S S S- 0 0 63 -5,-0.3 24,-0.2 1,-0.2 2,-0.1 0.455 77.9 -97.6 -69.1 -7.4 68.7 26.4 -11.6 171 181 A G - 0 0 1 22,-2.5 -1,-0.2 -6,-0.2 23,-0.2 -0.254 51.3 -49.6 110.1 164.8 66.5 28.6 -9.4 172 182 A Y - 0 0 4 27,-0.2 2,-1.8 21,-0.2 3,-0.2 -0.328 59.0-103.6 -66.7 156.1 63.2 30.4 -9.7 173 183 A D > + 0 0 8 19,-0.4 4,-2.2 1,-0.2 -1,-0.1 -0.571 49.4 168.6 -78.6 80.8 62.6 32.7 -12.7 174 184 A T H > S+ 0 0 22 -2,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.834 73.2 58.5 -68.6 -35.1 63.1 35.9 -10.8 175 185 A E H > S+ 0 0 109 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.914 108.8 46.9 -52.6 -46.8 63.2 38.0 -14.1 176 186 A M H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.922 111.0 51.5 -62.3 -43.0 59.7 36.6 -14.8 177 187 A I H X S+ 0 0 4 -4,-2.2 4,-3.9 1,-0.2 -2,-0.2 0.957 111.0 47.4 -59.3 -48.2 58.6 37.4 -11.2 178 188 A R H < S+ 0 0 147 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.862 110.8 50.9 -62.1 -43.1 59.9 41.1 -11.6 179 189 A F H < S+ 0 0 60 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.947 119.2 38.1 -55.6 -50.8 58.2 41.5 -14.9 180 190 A V H >< S+ 0 0 0 -4,-2.6 3,-1.5 -5,-0.2 4,-0.5 0.870 101.4 79.8 -68.7 -39.6 54.9 40.3 -13.4 181 191 A R G >< S+ 0 0 52 -4,-3.9 3,-0.7 1,-0.3 -1,-0.2 0.813 99.0 32.8 -41.8 -54.5 55.5 42.0 -9.9 182 192 A P G 3 S+ 0 0 110 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.623 106.7 75.0 -86.6 -0.3 54.4 45.6 -10.7 183 193 A L G < S+ 0 0 65 -3,-1.5 2,-0.3 -4,-0.3 -2,-0.2 0.592 103.1 19.4 -83.1 -9.0 51.8 44.5 -13.2 184 194 A T < - 0 0 9 -3,-0.7 -36,-0.1 -4,-0.5 -1,-0.1 -0.982 56.3-138.4-155.4 151.8 49.2 43.2 -10.7 185 195 A T S S+ 0 0 51 -2,-0.3 3,-0.1 175,-0.1 -4,-0.0 0.432 70.4 116.1 -92.5 0.2 48.2 43.5 -7.0 186 196 A L S S- 0 0 17 1,-0.1 -29,-0.1 -29,-0.0 23,-0.1 -0.486 78.0-104.5 -70.1 131.6 47.5 39.7 -6.8 187 197 A P - 0 0 7 0, 0.0 -29,-2.0 0, 0.0 2,-0.4 -0.223 41.2-140.7 -46.5 143.9 49.6 37.6 -4.5 188 198 A I E -k 158 0B 0 19,-0.2 21,-1.9 -31,-0.2 22,-1.8 -0.944 13.7-160.4-120.0 133.9 52.1 35.6 -6.7 189 199 A I E -kl 159 210B 4 -31,-2.6 -29,-3.9 -2,-0.4 2,-0.4 -0.977 14.0-146.0-112.7 124.1 53.3 32.0 -6.3 190 200 A A E -kl 160 211B 2 20,-1.8 22,-2.4 -2,-0.5 2,-0.3 -0.735 21.7-180.0 -83.9 137.2 56.6 31.1 -7.9 191 201 A S E +kl 161 212B 18 -31,-1.8 -29,-1.3 -2,-0.4 -18,-0.2 -0.999 38.6 36.8-141.4 139.4 56.8 27.5 -9.3 192 202 A G S S+ 0 0 10 20,-0.5 -19,-0.4 -2,-0.3 -30,-0.2 0.663 92.9 44.4 94.1 112.4 59.5 25.5 -11.1 193 203 A G + 0 0 8 1,-0.3 -22,-2.5 -21,-0.1 -21,-0.2 0.015 59.6 142.7 123.0 -28.5 63.3 25.7 -10.5 194 204 A A + 0 0 13 18,-0.3 -1,-0.3 -23,-0.2 22,-0.2 -0.205 7.1 151.0 -49.9 128.1 63.9 25.7 -6.8 195 205 A G + 0 0 18 1,-0.4 2,-0.3 -26,-0.2 -1,-0.2 0.594 60.6 19.7-127.5 -39.0 67.0 23.7 -5.8 196 206 A K S >> S- 0 0 94 -27,-0.1 3,-1.9 1,-0.0 4,-0.7 -0.945 81.6-100.2-141.0 157.3 68.4 25.3 -2.6 197 207 A M H >> S+ 0 0 49 -2,-0.3 4,-1.3 1,-0.3 3,-1.0 0.812 117.4 63.9 -47.1 -42.4 67.2 27.5 0.3 198 208 A E H 3> S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.855 93.8 62.5 -45.3 -44.3 68.9 30.5 -1.3 199 209 A H H <> S+ 0 0 20 -3,-1.9 4,-2.1 1,-0.2 -27,-0.2 0.805 99.4 53.3 -59.3 -35.9 66.5 30.2 -4.3 200 210 A F H S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.3 4,-0.3 0.888 114.0 49.3 -60.5 -37.6 62.1 34.6 -5.5 204 214 A F H ><5S+ 0 0 9 -4,-2.7 3,-1.0 3,-0.2 -1,-0.3 0.893 110.7 49.9 -65.9 -40.9 60.7 36.3 -2.4 205 215 A L H 3<5S+ 0 0 134 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.860 103.6 58.8 -65.4 -39.0 63.1 39.3 -3.0 206 216 A A T 3<5S- 0 0 9 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.609 132.1 -94.3 -62.0 -12.5 61.9 39.5 -6.6 207 217 A G T < 5S+ 0 0 20 -3,-1.0 2,-0.3 -4,-0.3 -3,-0.2 0.698 70.8 152.8 104.2 23.6 58.4 40.0 -5.0 208 218 A A < - 0 0 0 -5,-2.1 -1,-0.3 -6,-0.2 -19,-0.2 -0.656 34.3-153.5 -82.1 140.9 56.8 36.5 -4.9 209 219 A D S S+ 0 0 17 -21,-1.9 -204,-1.5 -2,-0.3 2,-0.3 0.729 76.5 8.6 -88.7 -19.1 54.2 36.1 -2.2 210 220 A A E -bl 5 189B 0 -22,-1.8 -20,-1.8 -206,-0.2 2,-0.4 -0.953 66.3-139.7-153.5 161.9 54.7 32.4 -1.8 211 221 A A E -bl 6 190B 0 -206,-2.5 -204,-3.9 -2,-0.3 2,-0.4 -0.997 15.3-160.7-133.2 134.3 57.0 29.8 -3.1 212 222 A L E +bl 7 191B 9 -22,-2.4 -20,-0.5 -2,-0.4 -18,-0.3 -0.926 13.9 166.7-117.4 142.4 56.0 26.3 -4.2 213 223 A A E -b 8 0B 8 -206,-2.1 -204,-2.0 -2,-0.4 -2,-0.0 -0.910 13.3-171.7-146.2 171.7 58.1 23.1 -4.6 214 224 A A S >> S+ 0 0 35 -2,-0.3 4,-2.3 -206,-0.2 3,-1.2 0.463 74.6 22.1-129.1 -97.9 57.5 19.4 -5.1 215 225 A S H 3>>S+ 0 0 51 1,-0.2 4,-4.4 2,-0.2 5,-0.7 0.947 115.2 61.8 -45.3 -66.9 60.2 16.6 -5.0 216 226 A V H 34>S+ 0 0 5 1,-0.2 6,-1.5 2,-0.2 5,-1.2 0.688 112.8 40.1 -35.0 -30.8 62.8 18.6 -2.9 217 227 A F H <45S+ 0 0 7 -3,-1.2 3,-0.4 3,-0.2 -1,-0.2 0.911 122.0 40.3 -82.6 -58.0 60.2 18.7 -0.1 218 228 A H H <5S+ 0 0 49 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.925 125.0 37.8 -53.4 -51.2 59.0 15.1 -0.6 219 229 A F T <5S- 0 0 169 -4,-4.4 -1,-0.2 -5,-0.2 -3,-0.2 0.471 111.4-123.2 -90.9 -3.9 62.5 13.8 -1.2 220 230 A R T < + 0 0 184 -5,-0.7 -3,-0.2 -3,-0.4 -4,-0.1 0.838 67.0 131.4 76.1 44.3 64.1 16.0 1.4 221 231 A E S - 0 0 57 -2,-0.4 4,-2.3 1,-0.2 5,-0.1 -0.874 6.4-144.4 -98.4 140.3 63.9 21.0 5.1 224 234 A V H > S+ 0 0 5 -2,-0.4 4,-2.1 2,-0.2 5,-0.2 0.978 103.7 43.1 -66.0 -53.5 60.7 23.0 5.7 225 235 A R H > S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 3,-0.4 0.969 120.2 41.9 -52.9 -58.0 61.8 23.9 9.3 226 236 A E H > S+ 0 0 126 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.787 110.7 58.3 -64.0 -29.2 65.4 24.6 8.3 227 237 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.896 108.5 45.0 -64.5 -42.6 64.2 26.5 5.1 228 238 A K H X S+ 0 0 4 -4,-2.1 4,-3.8 -3,-0.4 5,-0.2 0.940 112.2 47.7 -70.2 -50.8 62.2 29.0 7.1 229 239 A E H X S+ 0 0 84 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.956 114.1 50.7 -56.1 -49.1 64.7 29.8 9.9 230 240 A Y H >X S+ 0 0 30 -4,-1.9 3,-0.8 2,-0.2 4,-0.7 0.956 112.7 44.6 -43.1 -59.7 67.2 30.2 7.0 231 241 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.3 3,-1.4 0.907 109.6 56.6 -57.8 -42.8 64.8 32.6 5.3 232 242 A K H ><5S+ 0 0 134 -4,-3.8 3,-1.0 1,-0.3 -1,-0.3 0.825 102.0 57.0 -53.1 -37.4 64.2 34.2 8.6 233 243 A K H <<5S+ 0 0 176 -4,-2.0 -1,-0.3 -3,-0.8 -2,-0.2 0.641 103.6 54.6 -72.9 -14.8 68.0 34.9 8.8 234 244 A H T <<5S- 0 0 99 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 -0.132 125.6 -93.9-112.9 35.1 67.9 36.8 5.5 235 245 A G T < 5S+ 0 0 76 -3,-1.0 2,-0.6 1,-0.2 -3,-0.2 0.549 80.8 136.6 70.2 10.7 65.2 39.3 6.5 236 246 A V < - 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0 0 32 -9,-1.7 -1,-0.2 -2,-1.1 -8,-0.1 0.863 28.3-130.3 -63.1 -37.0 2.0 57.8 27.3 589 150 C G E + 0 0 50 -10,-0.6 2,-0.5 1,-0.4 -1,-0.1 0.401 64.7 129.1 96.5 -0.3 4.2 60.7 28.5 590 151 C I E - 0 0 59 -11,-0.5 -11,-2.2 2,-0.0 -1,-0.4 -0.766 62.3-122.4 -87.6 129.7 6.6 60.4 25.6 591 152 C L E >> -F 578 0F 30 -2,-0.5 4,-1.9 -13,-0.2 3,-1.7 -0.566 14.4-128.4 -72.5 134.2 7.1 63.8 23.9 592 153 C L H 3> S+ 0 0 0 -15,-2.9 4,-1.8 -2,-0.3 5,-0.2 0.775 108.7 57.3 -57.1 -27.2 6.2 63.8 20.2 593 154 C R H 3> S+ 0 0 109 -16,-0.3 4,-0.6 1,-0.2 -1,-0.3 0.749 108.3 46.8 -76.1 -27.3 9.5 65.3 19.3 594 155 C D H <> S+ 0 0 81 -3,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.881 111.8 49.2 -75.6 -40.8 11.3 62.4 21.0 595 156 C W H X S+ 0 0 10 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.860 107.8 53.5 -73.5 -35.6 9.2 59.6 19.4 596 157 C V H X S+ 0 0 0 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.829 110.1 48.0 -63.9 -36.1 9.5 61.0 15.8 597 158 C V H X S+ 0 0 72 -4,-0.6 4,-1.5 2,-0.2 -2,-0.2 0.928 114.9 45.1 -73.0 -42.2 13.3 61.0 16.2 598 159 C E H X S+ 0 0 48 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.898 109.1 56.9 -65.9 -38.4 13.3 57.4 17.5 599 160 C V H X>S+ 0 0 0 -4,-2.9 5,-1.8 1,-0.2 4,-0.6 0.936 109.4 44.3 -60.6 -46.9 10.8 56.3 14.9 600 161 C E H <5S+ 0 0 65 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.805 113.0 53.4 -64.9 -32.5 13.1 57.4 12.0 601 162 C K H <5S+ 0 0 156 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.831 102.3 55.9 -75.0 -30.8 16.1 55.9 13.9 602 163 C R H <5S- 0 0 73 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.641 125.9-100.5 -74.8 -13.0 14.3 52.4 14.2 603 164 C G T <5 + 0 0 19 -4,-0.6 -3,-0.2 -3,-0.3 -39,-0.2 0.637 60.1 165.5 108.0 19.8 14.0 52.5 10.4 604 165 C A < - 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0 0 63 -3,-1.7 -2,-0.1 3,-0.1 27,-0.1 0.631 58.1-150.0-113.6 -21.4 -13.5 68.2 13.7 618 179 C K S S+ 0 0 121 -4,-0.4 25,-0.1 25,-0.1 26,-0.1 0.669 70.7 106.2 55.3 21.7 -13.7 69.3 10.0 619 180 C S S S- 0 0 70 1,-0.4 2,-0.2 -5,-0.2 24,-0.2 0.330 89.0 -87.0-104.4 -0.6 -11.9 72.6 10.9 620 181 C G - 0 0 0 22,-2.7 -1,-0.4 -6,-0.2 2,-0.2 -0.474 51.3 -50.9 124.9 167.4 -8.6 71.5 9.4 621 182 C Y - 0 0 1 27,-0.3 2,-1.9 -2,-0.2 3,-0.2 -0.503 61.0-103.3 -69.6 147.4 -5.3 69.6 9.9 622 183 C D > + 0 0 12 19,-0.3 4,-2.1 18,-0.3 -1,-0.1 -0.585 47.9 176.5 -76.4 86.0 -3.3 70.6 13.0 623 184 C T H > S+ 0 0 32 -2,-1.9 4,-2.8 1,-0.2 5,-0.3 0.906 73.2 59.1 -65.5 -46.0 -0.9 72.6 10.9 624 185 C E H > S+ 0 0 129 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.941 107.6 46.8 -41.2 -57.5 1.0 73.8 14.0 625 186 C M H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.927 110.8 53.1 -56.1 -46.5 1.7 70.2 14.9 626 187 C I H X S+ 0 0 7 -4,-2.1 4,-2.3 1,-0.2 3,-0.5 0.938 110.3 45.2 -52.0 -56.8 2.8 69.4 11.3 627 188 C R H < S+ 0 0 137 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.787 109.4 59.0 -57.6 -34.0 5.3 72.3 11.2 628 189 C F H < S+ 0 0 83 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.900 112.0 36.9 -61.4 -44.5 6.6 71.3 14.6 629 190 C V H >X S+ 0 0 0 -4,-1.7 3,-2.3 -3,-0.5 4,-1.1 0.839 97.1 85.0 -82.3 -36.0 7.6 67.8 13.5 630 191 C R G >< S+ 0 0 40 -4,-2.3 3,-0.5 1,-0.3 -1,-0.2 0.797 92.2 42.1 -35.5 -52.4 8.8 68.7 10.1 631 192 C P G 34 S+ 0 0 107 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.596 106.1 64.3 -83.5 -6.0 12.4 69.7 11.0 632 193 C L G <4 S+ 0 0 65 -3,-2.3 2,-0.4 -4,-0.2 -2,-0.2 0.728 107.3 37.2 -81.0 -27.4 12.9 66.7 13.4 633 194 C T << - 0 0 6 -4,-1.1 -1,-0.2 -3,-0.5 -36,-0.1 -0.981 52.5-156.5-134.4 143.7 12.6 64.1 10.8 634 195 C T + 0 0 56 -2,-0.4 -1,-0.1 175,-0.1 -4,-0.1 0.433 69.7 112.3 -84.8 -6.6 13.6 63.5 7.2 635 196 C L S S- 0 0 14 -39,-0.1 -29,-0.1 1,-0.1 -2,-0.1 -0.349 79.6-101.8 -66.0 148.9 10.8 61.0 7.0 636 197 C P - 0 0 18 0, 0.0 -29,-1.9 0, 0.0 2,-0.4 -0.427 36.9-143.3 -67.6 148.6 7.7 61.7 4.9 637 198 C I E -g 607 0F 0 19,-0.2 21,-2.4 -31,-0.2 22,-2.2 -0.970 8.7-157.1-124.0 122.8 4.6 62.9 6.8 638 199 C I E -gh 608 659F 2 -31,-2.8 -29,-2.2 -2,-0.4 2,-0.3 -0.856 22.3-134.8 -94.3 123.5 1.0 62.0 6.1 639 200 C A E -gh 609 660F 1 20,-4.3 22,-2.9 -2,-0.6 2,-0.3 -0.622 30.7-179.4 -78.5 138.7 -1.4 64.6 7.6 640 201 C S E +g 610 0F 12 -31,-1.5 -29,-1.6 -2,-0.3 -18,-0.3 -0.994 32.8 33.1-146.5 134.9 -4.3 63.0 9.4 641 202 C G S S+ 0 0 11 20,-0.4 -19,-0.3 -2,-0.3 -26,-0.2 0.340 91.7 42.2 99.2 131.5 -7.3 64.2 11.3 642 203 C G + 0 0 7 -28,-0.4 -22,-2.7 1,-0.2 2,-0.2 0.257 60.4 154.9 96.2 -8.2 -9.5 67.3 10.8 643 204 C A + 0 0 12 18,-0.3 -1,-0.2 1,-0.2 22,-0.2 -0.357 6.9 142.8 -62.6 123.0 -10.0 67.5 7.0 644 205 C G + 0 0 24 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.486 60.6 18.9-135.7 -17.7 -13.2 69.3 6.2 645 206 C K S >> S- 0 0 103 1,-0.1 3,-0.7 26,-0.0 4,-0.6 -0.980 77.7-100.0-157.6 163.9 -12.5 71.4 3.0 646 207 C M H >> S+ 0 0 68 -2,-0.3 3,-1.1 1,-0.2 4,-0.9 0.847 116.8 59.7 -57.0 -37.2 -10.2 71.9 0.0 647 208 C E H >> S+ 0 0 91 1,-0.3 4,-1.9 2,-0.2 3,-0.6 0.872 93.5 64.1 -61.3 -41.1 -8.3 74.7 1.8 648 209 C H H <> S+ 0 0 12 -3,-0.7 4,-1.8 1,-0.3 -27,-0.3 0.734 99.9 55.0 -53.3 -28.3 -7.3 72.5 4.7 649 210 C F H S+ 0 0 0 -4,-1.8 5,-2.0 2,-0.2 4,-0.9 0.966 115.3 44.1 -52.3 -56.5 -1.2 70.7 5.4 653 214 C F H ><5S+ 0 0 10 -4,-2.2 3,-0.9 1,-0.3 -2,-0.2 0.897 114.0 48.1 -63.4 -42.7 1.0 70.8 2.3 654 215 C L H 3<5S+ 0 0 117 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.793 107.1 60.4 -64.8 -28.4 2.2 74.4 3.0 655 216 C A H 3<5S- 0 0 6 -4,-2.3 -1,-0.2 -3,-0.3 -2,-0.2 0.725 131.8 -89.5 -65.3 -26.2 2.9 73.3 6.6 656 217 C G T <<5S+ 0 0 19 -4,-0.9 -19,-0.2 -3,-0.9 -3,-0.2 0.200 77.2 147.1 131.8 -12.1 5.4 70.6 5.4 657 218 C A < - 0 0 0 -5,-2.0 -1,-0.3 -6,-0.2 -19,-0.2 -0.200 33.1-165.9 -59.3 140.3 3.1 67.6 4.9 658 219 C D S S+ 0 0 17 -21,-2.4 -206,-1.9 1,-0.3 2,-0.3 0.709 75.1 20.8 -98.6 -22.9 4.0 65.2 2.2 659 220 C A E -xh 452 638F 0 -22,-2.2 -20,-4.3 -208,-0.2 2,-0.5 -0.990 64.4-145.9-143.2 152.8 0.6 63.4 2.1 660 221 C A E -xh 453 639F 0 -208,-2.3 -206,-2.8 -2,-0.3 2,-0.4 -0.977 14.8-160.2-122.6 127.6 -3.0 64.2 3.3 661 222 C L E +x 454 0F 16 -22,-2.9 -20,-0.4 -2,-0.5 2,-0.3 -0.821 21.7 148.6-107.6 143.5 -5.3 61.5 4.6 662 223 C A E +x 455 0F 7 -208,-1.6 -206,-1.8 -2,-0.4 -18,-0.0 -0.967 14.6 171.7-164.1 161.1 -9.0 61.7 4.8 663 224 C A S >> S+ 0 0 14 -2,-0.3 3,-2.6 -208,-0.2 4,-1.9 0.307 73.1 46.2-134.2 -93.6 -12.0 59.3 4.5 664 225 C S H 3> S+ 0 0 62 1,-0.3 4,-2.1 2,-0.2 6,-0.3 0.755 110.0 57.4 -15.8 -58.5 -15.5 60.5 5.3 665 226 C V H 34 S+ 0 0 3 1,-0.2 6,-2.4 -22,-0.2 5,-0.4 0.793 113.8 38.6 -63.5 -30.6 -15.1 63.6 3.2 666 227 C F H X4 S+ 0 0 9 -3,-2.6 3,-2.0 4,-0.2 -1,-0.2 0.911 111.5 57.1 -79.3 -48.6 -14.3 61.6 0.1 667 228 C H H 3< S+ 0 0 40 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.769 113.5 40.2 -56.1 -34.1 -16.8 58.7 0.8 668 229 C F T 3< S- 0 0 134 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.1 0.347 110.6-121.4 -93.8 3.9 -19.7 61.2 0.9 669 230 C R S < S+ 0 0 202 -3,-2.0 3,-0.2 2,-0.3 -3,-0.2 0.574 71.3 137.7 62.9 9.1 -18.3 63.3 -2.1 670 231 C E S S+ 0 0 107 -5,-0.4 2,-0.4 -6,-0.3 -4,-0.2 0.815 82.6 27.7 -48.6 -32.7 -18.2 66.3 0.3 671 232 C I S S- 0 0 10 -6,-2.4 2,-0.4 -26,-0.1 -2,-0.3 -0.981 81.4-149.1-132.8 124.0 -14.9 66.6 -1.5 672 233 C D > - 0 0 57 -2,-0.4 4,-1.1 -3,-0.2 -6,-0.1 -0.770 12.6-142.7 -84.4 136.3 -14.2 65.4 -5.0 673 234 C V H > S+ 0 0 2 -2,-0.4 4,-2.0 2,-0.2 3,-0.2 0.906 97.1 50.0 -67.6 -49.8 -10.5 64.3 -5.4 674 235 C R H > S+ 0 0 76 1,-0.3 4,-2.0 2,-0.2 5,-0.3 0.953 110.2 51.8 -60.1 -48.3 -10.0 65.5 -9.0 675 236 C E H > S+ 0 0 115 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.815 108.4 53.9 -53.3 -33.4 -11.4 68.9 -8.0 676 237 C L H X S+ 0 0 0 -4,-1.1 4,-1.9 -3,-0.2 -1,-0.2 0.925 107.3 50.1 -67.3 -43.0 -9.0 68.9 -5.1 677 238 C K H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.877 109.1 47.3 -67.4 -45.4 -5.9 68.3 -7.4 678 239 C E H X S+ 0 0 97 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.942 111.3 56.2 -61.8 -44.5 -6.6 71.0 -10.0 679 240 C Y H < S+ 0 0 56 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.910 107.6 46.5 -45.7 -51.9 -7.1 73.3 -7.0 680 241 C L H ><>S+ 0 0 0 -4,-1.9 5,-2.3 1,-0.2 3,-1.0 0.819 110.8 50.9 -72.1 -33.2 -3.7 72.5 -5.6 681 242 C K H ><5S+ 0 0 146 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.911 105.3 57.1 -65.7 -42.6 -1.9 72.9 -8.9 682 243 C K T 3<5S+ 0 0 172 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.354 111.3 47.2 -67.2 7.3 -3.6 76.3 -9.2 683 244 C H T < 5S- 0 0 94 -3,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.377 125.6 -91.4-129.3 0.4 -2.0 77.1 -5.9 684 245 C G T < 5S+ 0 0 73 -3,-1.4 2,-0.3 -4,-0.3 -3,-0.2 0.160 79.9 131.6 113.2 -16.5 1.7 76.0 -6.4 685 246 C V < - 0 0 14 -5,-2.3 2,-0.7 -6,-0.1 -1,-0.3 -0.503 58.2-125.4 -82.0 132.2 1.5 72.4 -5.1 686 247 C N + 0 0 29 -2,-0.3 -235,-3.9 -237,-0.1 2,-0.3 -0.650 46.2 160.8 -71.0 113.4 3.0 69.5 -7.1 687 248 C V - 0 0 5 -2,-0.7 2,-0.6 -237,-0.3 -235,-0.1 -0.961 41.8-107.0-136.6 153.3 0.1 67.0 -7.5 688 249 C R + 0 0 4 -237,-0.5 2,-0.5 -2,-0.3 -11,-0.1 -0.717 35.2 172.4 -88.6 118.2 -0.6 64.1 -9.8 689 250 C L - 0 0 44 -2,-0.6 -207,-0.1 -12,-0.1 -2,-0.0 -0.910 16.8-155.5-125.8 104.9 -3.2 64.7 -12.6 690 251 C E - 0 0 52 -2,-0.5 2,-0.1 1,-0.1 -1,-0.0 0.393 23.0 -99.0 -56.4-160.8 -3.5 61.9 -15.2 691 252 C G 0 0 57 1,-0.1 -1,-0.1 0, 0.0 137,-0.0 -0.466 360.0 360.0-124.7-171.2 -4.9 62.4 -18.8 692 253 C L 0 0 231 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.211 360.0 360.0 176.3 360.0 -7.8 62.1 -21.3 693 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 694 1 D M 0 0 45 0, 0.0 30,-3.2 0, 0.0 2,-0.9 0.000 360.0 360.0 360.0 99.8 2.5 35.3 -26.7 695 2 D R E +i 724 0G 69 28,-0.2 42,-3.0 40,-0.1 43,-1.4 -0.775 360.0 174.4 -93.1 103.9 5.0 33.7 -24.3 696 3 D I E -ij 725 738G 0 28,-2.5 30,-2.1 -2,-0.9 2,-0.4 -0.890 10.3-164.0-106.0 132.5 5.9 36.0 -21.4 697 4 D G E -ij 726 739G 0 41,-2.8 43,-2.8 -2,-0.4 2,-0.5 -0.951 5.9-161.8-116.8 139.5 8.0 34.8 -18.5 698 5 D I E -ij 727 740G 0 28,-2.9 30,-1.3 -2,-0.4 43,-0.1 -0.886 23.0-130.1-120.9 102.8 8.4 36.5 -15.1 699 6 D I E -i 728 0G 3 41,-1.8 30,-0.2 -2,-0.5 28,-0.1 -0.209 26.6-173.0 -51.3 127.9 11.5 35.4 -13.0 700 7 D S + 0 0 18 28,-2.3 29,-0.1 1,-0.1 -1,-0.1 0.155 60.0 72.8-123.8 18.5 10.0 34.6 -9.6 701 8 D V + 0 0 19 27,-0.4 -1,-0.1 49,-0.1 28,-0.1 0.880 66.4 101.2 -90.5 -52.4 12.9 33.9 -7.3 702 9 D G S S- 0 0 7 48,-0.1 41,-0.1 40,-0.1 4,-0.1 0.103 83.0 -84.8 -48.5 157.6 14.4 37.4 -6.7 703 10 D P S S+ 0 0 7 0, 0.0 41,-1.8 0, 0.0 42,-0.1 0.112 86.9 37.1 -63.4 168.0 13.6 39.1 -3.4 704 11 D G S S- 0 0 43 39,-0.2 2,-0.6 -3,-0.1 41,-0.1 0.022 106.1 -38.3 75.7 173.7 10.5 41.2 -2.7 705 12 D N + 0 0 62 1,-0.2 4,-0.3 38,-0.1 38,-0.2 -0.596 55.5 166.5 -75.0 118.2 7.0 40.8 -3.8 706 13 D I > + 0 0 14 -2,-0.6 4,-1.9 -6,-0.1 -1,-0.2 0.489 61.7 79.9-112.7 -5.2 7.0 39.6 -7.4 707 14 D M H > S+ 0 0 76 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.629 85.2 62.4 -76.3 -13.5 3.3 38.5 -7.6 708 15 D N H > S+ 0 0 11 2,-0.2 4,-1.4 3,-0.1 -1,-0.2 0.938 105.9 44.1 -71.6 -51.0 2.2 42.1 -8.1 709 16 D L H >> S+ 0 0 4 -4,-0.3 4,-2.4 2,-0.2 3,-1.6 0.981 110.2 57.2 -54.6 -56.5 4.1 42.4 -11.4 710 17 D Y H 3X S+ 0 0 45 -4,-1.9 4,-2.1 1,-0.3 -1,-0.2 0.871 110.0 43.1 -43.3 -49.5 2.8 39.0 -12.4 711 18 D R H 3X S+ 0 0 52 -4,-1.6 4,-2.5 1,-0.2 -1,-0.3 0.773 111.2 58.5 -70.4 -21.6 -0.8 40.1 -12.0 712 19 D G H < S+ 0 0 99 -4,-2.1 3,-0.8 -5,-0.3 -2,-0.2 0.946 111.2 44.1 -40.6 -61.1 -1.6 39.4 -16.8 715 22 D R H >< S+ 0 0 50 -4,-2.5 3,-2.2 1,-0.3 4,-0.2 0.936 112.1 51.7 -54.5 -50.3 -4.0 42.5 -16.7 716 23 D A H 3< S+ 0 0 1 -4,-2.8 3,-0.3 1,-0.3 -1,-0.3 0.772 109.0 52.3 -59.0 -25.8 -2.1 44.3 -19.5 717 24 D S T X< S+ 0 0 6 -4,-2.3 3,-1.0 -3,-0.8 -1,-0.3 0.286 77.0 111.2 -93.1 13.4 -2.3 41.2 -21.6 718 25 D E T < S+ 0 0 120 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.891 84.8 33.1 -52.4 -47.9 -6.1 40.9 -21.2 719 26 D N T 3 S+ 0 0 142 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.3 0.352 94.5 105.3 -98.4 4.2 -7.0 41.8 -24.8 720 27 D F S X S- 0 0 42 -3,-1.0 3,-0.8 1,-0.1 -3,-0.0 -0.756 80.0-106.2 -85.6 131.9 -4.0 40.2 -26.4 721 28 D E T 3 S- 0 0 159 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 -0.225 83.3 -19.5 -59.3 142.3 -4.8 36.9 -28.2 722 29 D D T 3 S+ 0 0 136 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.677 83.2 169.7 24.7 52.9 -3.7 33.6 -26.7 723 30 D V < - 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