==== 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 ISOMERASE 08-MAR-04 1VCG . COMPND 2 MOLECULE: ISOPENTENYL-DIPHOSPHATE DELTA-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR T.WADA,S.-Y.PARK,R.H.TAME,S.KURAMITSU,S.YOKOYAMA,RIKEN STRUC . 1256 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46168.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 877 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 3.5 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 . 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 . 67 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 142 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 385 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 1.8 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 4 0 12 0 8 4 8 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 24 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 0 0 PARALLEL BRIDGES PER LADDER . 8 4 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 8 0 0 0 0 0 0 4 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 9 A K > 0 0 147 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -51.0 88.9 49.1 15.0 2 10 A H H > + 0 0 60 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.870 360.0 49.6 -66.9 -37.1 87.1 51.4 17.4 3 11 A L H > S+ 0 0 65 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.844 110.4 51.8 -68.5 -34.3 88.7 54.3 15.6 4 12 A E H > S+ 0 0 89 2,-0.2 4,-2.1 1,-0.2 3,-0.3 0.946 109.0 49.4 -67.5 -48.8 87.5 52.8 12.4 5 13 A A H X S+ 0 0 3 -4,-2.6 4,-3.4 1,-0.2 6,-0.2 0.904 108.8 50.9 -58.6 -46.3 83.9 52.4 13.6 6 14 A C H < S+ 0 0 22 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.815 116.9 42.8 -61.9 -29.1 83.6 56.0 14.8 7 15 A L H < S+ 0 0 67 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.721 130.4 21.8 -88.9 -25.5 84.9 57.1 11.5 8 16 A E H < S+ 0 0 132 -4,-2.1 -3,-0.2 -5,-0.1 -2,-0.2 0.556 107.8 72.0-122.9 -10.1 82.8 54.7 9.3 9 17 A G S < S- 0 0 12 -4,-3.4 2,-1.7 -5,-0.3 3,-0.2 -0.579 83.4-103.4-110.0 172.8 79.8 53.5 11.2 10 18 A E + 0 0 119 1,-0.2 -4,-0.1 -2,-0.2 202,-0.1 -0.615 61.5 145.9 -88.1 73.4 76.4 54.7 12.4 11 19 A V + 0 0 1 -2,-1.7 188,-2.7 -6,-0.2 192,-0.4 0.431 35.5 98.4 -93.7 -1.0 77.7 55.0 16.0 12 20 A A B S-A 198 0A 27 186,-0.3 186,-0.2 -3,-0.2 185,-0.1 -0.455 90.5 -85.9 -81.9 160.2 75.6 58.0 17.0 13 21 A Y - 0 0 17 184,-2.5 -1,-0.1 1,-0.1 206,-0.1 -0.397 36.7-163.7 -64.6 143.6 72.4 57.5 19.0 14 22 A Q S S+ 0 0 114 201,-0.1 -1,-0.1 -3,-0.1 3,-0.0 0.798 79.0 9.8-100.9 -34.9 69.4 56.8 16.7 15 23 A K S S+ 0 0 174 200,-0.1 2,-0.1 1,-0.0 -2,-0.1 0.806 111.8 70.1-111.7 -52.0 66.4 57.4 19.0 16 24 A T - 0 0 29 2,-0.0 2,-0.3 1,-0.0 180,-0.1 -0.414 65.5-166.1 -68.8 144.2 67.5 59.0 22.3 17 25 A T - 0 0 62 -2,-0.1 180,-0.1 178,-0.1 208,-0.1 -0.804 38.0-102.8-125.9 168.8 68.7 62.6 22.0 18 26 A T - 0 0 11 178,-0.3 207,-2.4 -2,-0.3 208,-0.5 0.855 49.1-133.8 -61.8 -29.7 70.6 64.9 24.3 19 27 A G S > S+ 0 0 13 206,-0.1 3,-2.0 205,-0.1 -1,-0.1 0.370 74.1 120.5 92.5 -4.0 67.3 66.5 25.0 20 28 A L G > + 0 0 0 1,-0.3 3,-1.8 2,-0.2 226,-0.0 0.751 63.7 70.6 -63.8 -22.3 68.7 70.0 24.6 21 29 A E G 3 S+ 0 0 109 1,-0.3 -1,-0.3 3,-0.0 292,-0.0 0.695 85.1 69.7 -67.3 -17.8 66.2 70.4 21.8 22 30 A G G < S+ 0 0 26 -3,-2.0 291,-2.9 290,-0.1 2,-0.4 0.398 95.7 64.2 -81.0 4.6 63.6 70.5 24.5 23 31 A F E < -B 312 0B 9 -3,-1.8 2,-0.4 289,-0.3 289,-0.2 -0.981 65.6-155.0-130.8 144.6 64.9 73.9 25.7 24 32 A R E -B 311 0B 40 287,-2.8 287,-2.6 -2,-0.4 2,-0.2 -0.944 26.2-117.1-116.6 137.8 65.0 77.3 24.0 25 33 A L E -B 310 0B 10 -2,-0.4 2,-1.4 285,-0.2 516,-0.4 -0.542 30.3-114.3 -73.4 136.1 67.6 79.9 25.0 26 34 A R - 0 0 32 283,-2.4 2,-0.4 -2,-0.2 -1,-0.1 -0.565 33.7-148.7 -74.6 92.4 66.0 83.1 26.5 27 35 A Y - 0 0 0 -2,-1.4 2,-0.8 514,-0.1 468,-0.4 -0.465 9.0-162.0 -68.4 120.0 66.9 85.7 23.8 28 36 A Q > + 0 0 18 269,-3.0 3,-1.6 -2,-0.4 4,-0.2 -0.792 13.1 178.1-106.1 90.9 67.4 89.2 25.2 29 37 A A T 3 S+ 0 0 1 -2,-0.8 3,-0.2 464,-0.4 -1,-0.2 0.789 89.6 36.4 -60.1 -26.4 67.1 91.7 22.4 30 38 A L T 3 S+ 0 0 15 1,-0.1 -1,-0.3 -3,-0.1 442,-0.1 -0.178 71.2 121.6-120.6 39.2 67.7 94.4 25.0 31 39 A A < - 0 0 39 -3,-1.6 -1,-0.1 266,-0.1 -2,-0.1 0.590 68.7-144.5 -73.1 -9.6 70.2 92.8 27.4 32 40 A G + 0 0 28 -4,-0.2 438,-0.5 -3,-0.2 2,-0.3 0.881 48.0 121.6 47.0 60.7 72.1 95.8 26.3 33 41 A L - 0 0 7 436,-0.2 435,-1.3 263,-0.1 2,-0.4 -0.867 59.4-104.3-139.8 173.1 75.7 94.7 26.2 34 42 A A B > -C 467 0C 0 -2,-0.3 3,-2.2 433,-0.2 4,-0.3 -0.866 16.2-136.1-105.6 137.3 78.5 94.4 23.6 35 43 A L G > S+ 0 0 28 431,-2.3 3,-1.7 -2,-0.4 -1,-0.1 0.870 108.0 62.5 -53.7 -36.9 79.6 91.2 22.0 36 44 A S G 3 S+ 0 0 92 1,-0.3 -1,-0.3 430,-0.2 431,-0.1 0.755 97.2 58.8 -61.7 -23.0 83.1 92.4 22.7 37 45 A E G < S+ 0 0 55 -3,-2.2 2,-0.8 2,-0.1 -1,-0.3 0.511 76.2 102.1 -89.1 -0.8 82.4 92.3 26.4 38 46 A V < - 0 0 6 -3,-1.7 2,-0.6 -4,-0.3 264,-0.2 -0.745 58.6-161.9 -86.3 112.5 81.5 88.6 26.6 39 47 A D - 0 0 82 262,-2.4 12,-0.1 -2,-0.8 -2,-0.1 -0.858 19.9-172.5-102.4 119.1 84.5 86.8 28.0 40 48 A L + 0 0 5 -2,-0.6 -1,-0.1 10,-0.2 262,-0.1 0.513 43.2 130.7 -84.0 -7.3 84.9 83.0 27.7 41 49 A T + 0 0 60 10,-0.1 9,-0.2 11,-0.1 -2,-0.1 -0.232 31.2 170.2 -49.2 129.5 87.9 82.9 30.0 42 50 A T E -D 49 0D 20 7,-2.5 7,-2.1 9,-0.1 2,-0.4 -0.942 30.3-135.9-151.8 124.6 87.3 80.2 32.5 43 51 A P E +D 48 0D 99 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.666 31.0 173.4 -81.0 128.9 89.7 78.6 35.1 44 52 A F - 0 0 7 3,-2.9 3,-0.2 -2,-0.4 145,-0.1 -0.997 59.0 -8.9-139.6 141.7 89.5 74.8 35.3 45 53 A L S S- 0 0 22 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.825 131.9 -46.1 39.6 45.9 91.5 72.2 37.2 46 54 A G S S+ 0 0 76 1,-0.2 2,-0.3 54,-0.0 -1,-0.2 0.936 122.2 85.7 68.1 49.2 94.1 74.8 38.2 47 55 A K S S- 0 0 59 -3,-0.2 -3,-2.9 53,-0.0 2,-0.8 -0.926 75.6-116.0-169.9 150.0 94.6 76.6 34.9 48 56 A T E -D 43 0D 104 -2,-0.3 2,-0.1 -5,-0.3 -7,-0.1 -0.827 30.2-166.4-103.2 103.8 93.0 79.4 33.0 49 57 A L E -D 42 0D 6 -7,-2.1 -7,-2.5 -2,-0.8 27,-0.2 -0.481 25.0-130.8 -80.8 153.6 91.5 78.3 29.7 50 58 A K S S+ 0 0 125 25,-3.2 -10,-0.2 -9,-0.2 26,-0.2 0.573 92.0 16.6 -82.4 -9.2 90.4 80.8 27.1 51 59 A A S S- 0 0 3 24,-0.6 2,-2.7 -9,-0.2 26,-0.3 -0.968 86.7-104.5-158.2 148.1 87.0 79.2 26.7 52 60 A P S S+ 0 0 0 0, 0.0 211,-3.3 0, 0.0 2,-0.4 -0.141 81.7 121.6 -72.0 48.7 85.0 76.6 28.8 53 61 A F E -e 263 0E 1 -2,-2.7 24,-1.8 209,-0.2 2,-0.4 -0.896 41.5-173.2-121.0 141.0 85.9 73.9 26.3 54 62 A L E -ef 264 77E 0 209,-2.3 211,-1.6 -2,-0.4 2,-0.4 -0.998 28.0-125.1-131.2 133.4 87.7 70.6 26.5 55 63 A I E -ef 265 78E 0 22,-1.5 24,-2.4 -2,-0.4 211,-0.2 -0.636 43.6-113.3 -73.9 130.9 88.7 68.3 23.6 56 64 A G E - 0 0 6 209,-3.3 2,-0.1 -2,-0.4 -1,-0.1 -0.246 32.6 -87.4 -68.8 155.0 87.1 65.0 24.4 57 65 A A E + 0 0 28 23,-0.1 2,-0.3 21,-0.1 23,-0.2 -0.378 53.9 173.8 -61.7 129.5 89.1 61.8 25.3 58 66 A X E f 0 80E 22 21,-0.5 23,-0.6 -2,-0.1 6,-0.0 -0.976 360.0 360.0-146.0 131.6 90.0 59.9 22.1 59 67 A T 0 0 112 -2,-0.3 4,-0.1 21,-0.1 5,-0.1 0.431 360.0 360.0-127.5 360.0 92.1 56.8 21.6 60 ! 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 61 74 A E > 0 0 171 0, 0.0 4,-0.5 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -45.2 98.3 58.4 18.1 62 75 A R H > + 0 0 140 2,-0.2 4,-0.9 1,-0.2 3,-0.2 0.711 360.0 64.4 -84.3 -20.9 99.0 61.0 15.4 63 76 A I H >> S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 3,-0.5 0.892 94.8 58.7 -65.4 -41.3 95.6 62.4 16.1 64 77 A N H 3> S+ 0 0 33 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.816 102.6 52.3 -59.5 -34.2 96.6 63.4 19.6 65 78 A L H 3X S+ 0 0 72 -4,-0.5 4,-1.6 2,-0.2 -1,-0.3 0.796 112.0 45.8 -74.1 -27.5 99.4 65.6 18.3 66 79 A A H S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 5,-1.8 0.912 110.6 42.7 -53.8 -44.5 94.5 72.8 22.3 72 85 A E H <5S+ 0 0 40 -4,-2.5 3,-0.4 2,-0.2 -2,-0.2 0.980 110.1 55.5 -64.2 -59.4 97.5 75.1 22.8 73 86 A A H <5S+ 0 0 70 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.852 121.1 29.2 -42.0 -46.8 96.7 77.4 19.8 74 87 A L H <5S- 0 0 35 -4,-2.6 -1,-0.2 2,-0.1 -2,-0.2 0.659 105.4-118.8 -94.5 -17.4 93.3 78.1 21.2 75 88 A G T <5 + 0 0 16 -4,-1.9 -25,-3.2 -3,-0.4 -24,-0.6 0.881 65.4 131.3 83.2 38.9 93.8 77.8 24.9 76 89 A V < - 0 0 0 -5,-1.8 -1,-0.3 -27,-0.2 -22,-0.2 -0.811 54.4-106.3-119.4 162.3 91.3 75.0 25.7 77 90 A G E -f 54 0E 0 -24,-1.8 -22,-1.5 -26,-0.3 2,-0.3 -0.017 26.1-153.6 -77.8-174.7 91.8 71.8 27.6 78 91 A X E -fg 55 101E 2 22,-0.8 24,-2.3 -24,-0.2 2,-0.5 -0.871 9.1-146.3-165.8 128.8 92.2 68.2 26.4 79 92 A X E - g 0 102E 2 -24,-2.4 -21,-0.5 -2,-0.3 24,-0.2 -0.856 25.2-135.8 -99.5 129.8 91.5 64.8 27.9 80 93 A L E -f 58 0E 16 22,-2.9 3,-0.2 -2,-0.5 -21,-0.1 -0.423 25.2 -98.4 -82.0 157.3 93.9 62.1 26.8 81 94 A G E - 0 0 12 -23,-0.6 23,-0.6 1,-0.2 2,-0.2 -0.217 67.5 -59.4 -66.6 166.2 92.8 58.6 25.7 82 95 A S E > - g 0 104E 30 1,-0.2 3,-0.9 21,-0.1 23,-0.2 -0.271 46.0-161.4 -50.9 111.2 93.0 55.8 28.2 83 96 A G G >> + 0 0 12 21,-3.1 3,-2.3 1,-0.2 4,-1.0 0.303 62.7 114.3 -78.5 12.2 96.7 55.8 29.1 84 97 A R G >4 S+ 0 0 78 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.859 70.9 55.7 -48.9 -39.6 95.9 52.3 30.4 85 98 A I G <> S+ 0 0 66 -3,-0.9 4,-0.7 1,-0.2 3,-0.4 0.663 99.3 62.1 -69.6 -17.8 98.2 51.0 27.6 86 99 A L G <4 S+ 0 0 52 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.791 95.9 55.7 -80.1 -30.7 101.1 53.1 28.9 87 100 A L T << S+ 0 0 16 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.489 113.1 46.0 -79.1 -1.6 101.3 51.5 32.4 88 101 A E T 4 S+ 0 0 95 -3,-0.4 -2,-0.2 -4,-0.2 -1,-0.2 0.569 125.5 25.2-112.2 -19.6 101.7 48.2 30.4 89 102 A R < 0 0 191 -4,-0.7 -2,-0.1 1,-0.1 -1,-0.1 -0.447 360.0 360.0-147.8 69.5 104.3 49.3 27.9 90 103 A P 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.712 360.0 360.0 -47.1 360.0 106.4 52.3 29.1 91 ! 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 92 111 A V >> 0 0 51 0, 0.0 3,-2.0 0, 0.0 4,-2.0 0.000 360.0 360.0 360.0 -9.9 102.4 65.3 23.5 93 112 A R T 34 + 0 0 28 1,-0.3 6,-0.1 32,-0.3 32,-0.0 0.797 360.0 72.7 -53.4 -28.5 103.6 67.9 26.0 94 113 A K T 34 S+ 0 0 182 1,-0.2 -1,-0.3 2,-0.1 0, 0.0 0.843 108.6 29.9 -55.3 -37.8 106.2 68.7 23.3 95 114 A V T <4 S+ 0 0 44 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.720 126.9 47.4 -93.6 -26.2 103.5 70.3 21.1 96 115 A A < + 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.1 -0.658 62.5 157.3-118.0 74.7 101.4 71.4 24.1 97 116 A P S S+ 0 0 72 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.952 81.9 18.3 -60.4 -53.5 103.8 73.1 26.6 98 117 A K S S+ 0 0 158 2,-0.1 3,-0.1 -5,-0.0 -2,-0.1 0.868 94.2 113.8 -87.9 -43.7 101.2 75.2 28.5 99 118 A A S S- 0 0 11 1,-0.1 2,-0.3 -31,-0.1 -22,-0.1 0.107 73.0-107.5 -38.2 136.6 97.8 73.6 27.6 100 119 A L - 0 0 3 -29,-0.1 -22,-0.8 -24,-0.1 2,-0.5 -0.516 39.2-168.7 -68.1 125.5 95.8 71.8 30.4 101 120 A L E -g 78 0E 0 -2,-0.3 27,-2.1 -24,-0.2 28,-0.9 -0.936 12.4-159.2-127.7 115.1 95.9 68.1 29.9 102 121 A I E -gh 79 129E 0 -24,-2.3 -22,-2.9 -2,-0.5 28,-0.2 -0.786 17.7-141.4 -90.4 118.7 93.7 65.6 31.8 103 122 A A E - h 0 130E 0 26,-2.8 28,-3.0 -2,-0.6 2,-0.4 -0.427 18.2-144.6 -73.0 155.7 95.2 62.1 31.8 104 123 A N E +gh 82 131E 3 -23,-0.6 -21,-3.1 26,-0.2 28,-0.2 -0.964 35.9 145.1-128.2 142.6 92.7 59.3 31.4 105 124 A L - 0 0 4 26,-2.4 27,-0.2 -2,-0.4 -1,-0.1 0.570 44.0-123.0-142.5 -43.8 92.5 55.9 32.9 106 125 A G > - 0 0 3 25,-0.7 3,-2.0 1,-0.1 4,-0.2 0.574 20.5-107.9 92.3 116.0 89.1 54.4 33.8 107 126 A L G > S+ 0 0 5 26,-0.4 3,-3.4 1,-0.3 4,-0.3 0.813 107.9 70.4 -38.9 -57.6 88.0 53.2 37.1 108 127 A A G > S+ 0 0 9 25,-0.5 3,-0.6 1,-0.3 -1,-0.3 0.625 91.3 66.8 -45.0 -12.7 87.9 49.5 36.4 109 128 A Q G X> S+ 0 0 20 -3,-2.0 3,-2.9 1,-0.2 4,-1.0 0.722 76.4 78.1 -83.5 -22.3 91.7 49.7 36.4 110 129 A L G <4 S+ 0 0 5 -3,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.528 82.6 71.9 -63.6 -2.6 92.0 50.5 40.1 111 130 A R G <4 S+ 0 0 59 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 0.507 114.9 20.3 -87.6 -7.1 91.4 46.8 40.5 112 131 A R T <4 S+ 0 0 154 -3,-2.9 2,-0.3 1,-0.2 -2,-0.2 0.315 121.2 56.9-142.8 1.8 94.9 46.2 39.1 113 132 A Y < - 0 0 40 -4,-1.0 2,-0.3 3,-0.0 -1,-0.2 -0.971 63.5-161.6-137.4 153.3 96.8 49.5 39.6 114 133 A G >> - 0 0 24 -2,-0.3 4,-1.3 -3,-0.1 3,-1.0 -0.883 40.7 -63.1-140.5 170.5 97.6 51.6 42.6 115 134 A R H 3> S+ 0 0 110 -2,-0.3 4,-1.6 1,-0.3 5,-0.1 0.561 127.0 41.9 -8.0 -58.1 98.6 54.9 44.2 116 135 A D H 3> S+ 0 0 118 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.974 109.0 54.6 -65.9 -59.0 102.1 54.8 42.6 117 136 A D H <> S+ 0 0 50 -3,-1.0 4,-2.0 1,-0.2 -2,-0.2 0.854 108.1 53.1 -43.0 -43.9 101.1 53.6 39.1 118 137 A L H >X S+ 0 0 4 -4,-1.3 4,-2.4 1,-0.2 3,-0.7 0.979 107.8 48.7 -57.3 -58.1 98.7 56.5 38.9 119 138 A L H 3X S+ 0 0 43 -4,-1.6 4,-1.9 1,-0.3 -1,-0.2 0.837 110.1 54.6 -50.0 -37.3 101.4 59.1 39.9 120 139 A R H 3X S+ 0 0 88 -4,-2.4 4,-3.5 2,-0.2 -1,-0.3 0.879 108.2 48.0 -65.4 -41.5 103.5 57.5 37.2 121 140 A L H S+ 0 0 9 -4,-2.4 5,-2.4 1,-0.2 4,-1.4 0.888 118.1 52.8 -56.3 -35.2 100.2 61.6 35.3 123 142 A E H ><5S+ 0 0 138 -4,-1.9 3,-1.0 -5,-0.4 -2,-0.2 0.991 106.2 46.1 -60.9 -70.2 103.9 61.8 35.5 124 143 A X H 3<5S+ 0 0 66 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.862 120.2 42.8 -41.9 -46.6 105.0 60.3 32.2 125 144 A L H 3<5S- 0 0 35 -4,-2.2 -1,-0.3 -5,-0.2 -32,-0.3 0.744 101.7-134.0 -76.2 -24.6 102.4 62.4 30.4 126 145 A E T <<5 + 0 0 118 -4,-1.4 -3,-0.2 -3,-1.0 2,-0.1 0.938 45.6 172.8 66.5 44.2 103.1 65.5 32.4 127 146 A A < - 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0 0 0 -194,-2.6 4,-2.4 -2,-0.4 3,-0.4 -0.880 4.8-163.4 -97.4 108.9 65.2 84.9 10.4 520 219 B W H > S+ 0 0 59 -2,-0.7 4,-1.8 -30,-0.3 -1,-0.1 0.677 90.4 62.3 -68.9 -14.5 67.6 87.8 9.9 521 220 B A H > S+ 0 0 0 17,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.887 108.4 43.5 -73.6 -39.1 70.4 85.7 11.3 522 221 B R H > S+ 0 0 17 -3,-0.4 4,-2.9 16,-0.4 -2,-0.2 0.934 112.7 51.1 -68.8 -46.0 69.8 83.4 8.4 523 222 B V H X S+ 0 0 0 -4,-2.4 4,-1.1 -198,-0.4 -2,-0.2 0.884 112.6 49.1 -56.6 -38.8 69.4 86.3 5.9 524 223 B E H X S+ 0 0 4 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.910 112.7 43.7 -68.8 -46.8 72.7 87.6 7.3 525 224 B E H X>S+ 0 0 6 -4,-2.2 4,-2.7 1,-0.2 6,-0.5 0.877 109.5 58.5 -66.9 -37.4 74.6 84.3 7.0 526 225 B W H X5S+ 0 0 61 -4,-2.9 4,-1.5 1,-0.3 -1,-0.2 0.840 104.2 52.2 -61.6 -31.3 73.1 83.7 3.5 527 226 B V H <5S+ 0 0 35 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.819 114.8 42.1 -73.6 -29.1 74.7 87.0 2.5 528 227 B R H <5S+ 0 0 89 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.796 134.5 12.6 -89.1 -30.3 78.1 85.8 3.8 529 228 B F H <5S- 0 0 55 -4,-2.7 -3,-0.2 2,-0.3 -2,-0.2 0.506 91.8-117.1-124.4 -9.0 78.2 82.2 2.5 530 229 B G S < + 0 0 20 1,-0.2 4,-1.6 2,-0.1 3,-0.4 -0.607 68.3 168.5-121.3 69.4 75.0 77.7 11.6 535 234 B P H >> S+ 0 0 71 0, 0.0 4,-0.5 0, 0.0 3,-0.5 0.894 75.8 47.0 -46.9 -55.9 71.3 76.8 11.4 536 235 B E H >4 S+ 0 0 57 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.849 108.2 56.6 -59.8 -35.8 70.7 76.4 15.1 537 236 B L H >4 S+ 0 0 4 -3,-0.4 3,-0.8 1,-0.2 -1,-0.2 0.871 108.4 48.6 -63.3 -35.9 72.5 79.6 15.9 538 237 B C H << S+ 0 0 0 -4,-1.6 -16,-0.4 -3,-0.5 -17,-0.3 0.477 99.5 65.0 -84.9 -4.5 70.1 81.4 13.6 539 238 B E T << S+ 0 0 14 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.446 74.2 123.1 -93.8 -1.7 66.9 79.9 15.0 540 239 B I < + 0 0 12 -3,-0.8 2,-0.3 -4,-0.3 -19,-0.1 -0.392 42.9 83.0 -61.9 130.3 67.6 81.7 18.3 541 240 B G S S- 0 0 1 -516,-0.4 -48,-0.2 -2,-0.1 -514,-0.1 -0.953 78.0 -71.7 161.6 177.8 64.7 83.9 19.4 542 241 B I - 0 0 2 -50,-3.0 -27,-2.7 -2,-0.3 -48,-0.1 -0.919 51.5-119.2-105.1 118.1 61.3 84.4 21.0 543 242 B P B > -a 515 0M 8 0, 0.0 4,-2.7 0, 0.0 3,-0.4 -0.289 25.3-116.4 -54.8 137.1 58.4 82.9 18.9 544 243 B T H > S+ 0 0 0 -29,-2.3 4,-2.3 20,-0.3 5,-0.2 0.831 115.3 52.4 -43.2 -43.0 56.0 85.7 17.9 545 244 B A H > S+ 0 0 0 -213,-2.5 4,-2.0 -30,-0.2 -1,-0.2 0.948 111.6 45.5 -62.4 -48.2 53.2 84.0 19.9 546 245 B R H > S+ 0 0 74 -214,-0.5 4,-3.2 -3,-0.4 -2,-0.2 0.899 111.5 53.9 -60.9 -41.4 55.3 83.9 23.1 547 246 B A H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.4 0.900 106.7 50.4 -61.2 -44.1 56.5 87.5 22.5 548 247 B I H X S+ 0 0 1 -4,-2.3 4,-2.7 -5,-0.2 5,-0.3 0.980 115.1 43.2 -58.3 -55.6 53.0 88.8 22.3 549 248 B L H X S+ 0 0 56 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.939 118.2 45.0 -55.6 -51.6 51.9 87.0 25.5 550 249 B E H X S+ 0 0 24 -4,-3.2 4,-1.1 2,-0.2 -1,-0.2 0.909 116.6 42.6 -61.5 -47.6 55.1 88.0 27.3 551 250 B V H >X S+ 0 0 1 -4,-3.0 4,-2.9 -57,-0.2 3,-1.0 0.951 114.3 50.2 -66.5 -49.0 55.3 91.6 26.3 552 251 B R H 3< S+ 0 0 26 -4,-2.7 -2,-0.2 -5,-0.4 -1,-0.2 0.931 104.5 60.6 -51.4 -49.1 51.6 92.2 26.8 553 252 B E H 3< S+ 0 0 121 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.841 114.3 34.8 -45.2 -40.8 52.0 90.7 30.2 554 253 B V H << S+ 0 0 9 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.827 127.0 36.0 -87.5 -37.0 54.5 93.5 31.1 555 254 B L < + 0 0 14 -4,-2.9 -1,-0.2 1,-0.1 -2,-0.1 -0.630 69.5 175.4-119.2 71.0 53.0 96.4 29.2 556 255 B P S S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.610 78.2 27.2 -51.7 -18.0 49.2 95.7 29.6 557 256 B H S S+ 0 0 169 -3,-0.1 3,-0.1 2,-0.1 -5,-0.1 0.704 86.4 103.6-121.6 -25.3 48.2 99.0 27.9 558 257 B L S S- 0 0 37 -3,-0.1 2,-0.1 1,-0.1 -49,-0.1 -0.356 83.7-102.5 -59.6 133.1 50.8 100.1 25.4 559 258 B P - 0 0 42 0, 0.0 -49,-2.1 0, 0.0 2,-0.4 -0.404 42.8-152.2 -61.8 129.2 49.6 99.3 21.9 560 259 B L E -y 510 0L 2 19,-0.2 21,-2.8 -51,-0.2 22,-2.2 -0.844 9.6-150.7-108.5 140.5 51.4 96.2 20.6 561 260 B V E -yz 511 582L 0 -51,-3.4 -49,-1.8 -2,-0.4 2,-0.6 -0.912 9.3-150.9-108.0 128.3 52.3 95.2 17.0 562 261 B A E + z 0 583L 0 20,-3.5 22,-1.9 -2,-0.5 2,-0.3 -0.890 33.6 148.8 -97.9 121.1 52.5 91.5 16.2 563 262 B S E + z 0 584L 13 -2,-0.6 -49,-1.6 20,-0.2 22,-0.1 -0.979 22.0 87.1-149.0 153.4 55.0 90.8 13.4 564 263 B G S S- 0 0 14 20,-0.6 -20,-0.3 -2,-0.3 -1,-0.1 0.650 110.4 -10.8 117.0 75.2 57.3 87.9 12.5 565 264 B G S S+ 0 0 7 -49,-0.2 2,-1.2 1,-0.2 -233,-0.2 0.737 84.1 137.1 81.5 21.1 55.7 85.2 10.5 566 265 B V + 0 0 0 18,-0.4 -1,-0.2 1,-0.2 6,-0.1 -0.502 24.3 152.6 -96.2 64.0 52.1 86.5 10.9 567 266 B Y + 0 0 60 -2,-1.2 2,-0.3 -3,-0.1 -1,-0.2 0.383 45.0 51.0 -80.2 0.4 51.5 85.8 7.2 568 267 B T S > S- 0 0 37 -3,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.936 77.3-119.2-136.6 161.5 47.8 85.2 7.0 569 268 B G H > S+ 0 0 0 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.934 115.9 53.8 -62.3 -45.9 44.6 86.8 8.1 570 269 B T H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.881 110.6 47.6 -55.8 -39.8 43.7 83.8 10.2 571 270 B D H > S+ 0 0 21 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.847 107.5 55.5 -70.1 -35.5 47.0 84.1 12.0 572 271 B G H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.912 105.2 52.9 -62.5 -41.6 46.6 87.8 12.4 573 272 B A H X S+ 0 0 1 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.925 110.0 47.8 -58.7 -45.5 43.3 87.1 14.2 574 273 B K H X S+ 0 0 16 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.919 109.7 54.1 -60.9 -43.4 45.2 84.7 16.5 575 274 B A H <>S+ 0 0 0 -4,-2.7 5,-1.6 2,-0.2 4,-0.5 0.938 111.9 43.0 -55.7 -50.3 47.8 87.4 17.0 576 275 B L H ><5S+ 0 0 0 -4,-2.8 3,-2.5 1,-0.2 4,-0.4 0.961 110.2 56.6 -61.1 -51.6 45.2 89.9 18.1 577 276 B A H 3<5S+ 0 0 3 -4,-3.1 51,-3.2 1,-0.3 53,-0.2 0.851 104.5 53.6 -48.8 -39.4 43.4 87.3 20.3 578 277 B L T 3<5S- 0 0 17 -4,-2.2 -1,-0.3 49,-0.2 -2,-0.2 0.588 138.2 -75.0 -75.5 -9.8 46.7 86.7 22.2 579 278 B G T < 5S+ 0 0 0 -3,-2.5 -19,-0.2 -4,-0.5 -3,-0.2 0.543 86.6 131.9 129.8 11.0 47.0 90.4 23.0 580 279 B A < - 0 0 0 -5,-1.6 -1,-0.3 -4,-0.4 -19,-0.2 -0.528 33.8-168.8 -91.3 161.9 48.2 92.3 19.9 581 280 B D S S+ 0 0 19 -21,-2.8 2,-0.3 1,-0.4 -20,-0.2 0.635 73.5 28.0-116.0 -33.2 46.6 95.5 18.5 582 281 B L E - z 0 561L 6 -22,-2.2 -20,-3.5 -7,-0.1 -1,-0.4 -0.958 65.7-144.3-132.5 150.7 48.3 95.7 15.1 583 282 B L E -sz 367 562L 0 -217,-3.3 -215,-2.1 -2,-0.3 2,-0.4 -0.866 14.2-166.3-111.3 147.3 49.7 93.2 12.6 584 283 B A E -sz 368 563L 4 -22,-1.9 -20,-0.6 -2,-0.3 2,-0.4 -0.997 3.0-169.9-137.8 133.1 52.8 93.9 10.5 585 284 B V E +s 369 0L 1 -217,-1.6 -215,-3.3 -2,-0.4 -18,-0.0 -0.975 15.2 156.9-122.8 132.7 54.0 91.9 7.5 586 285 B A >> + 0 0 30 -2,-0.4 3,-2.7 -217,-0.2 4,-0.7 0.622 64.4 36.4-117.3 -85.2 57.3 92.3 5.7 587 286 B R H >> S+ 0 0 51 1,-0.3 3,-1.9 2,-0.2 4,-0.6 0.835 110.0 61.3 -42.8 -48.4 59.0 89.7 3.6 588 287 B P H 34 S+ 0 0 30 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.757 105.9 49.6 -54.6 -21.2 55.8 88.3 2.1 589 288 B L H <> S+ 0 0 0 -3,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.609 89.1 85.2 -91.2 -13.8 55.2 91.7 0.6 590 289 B L H X S+ 0 0 158 -4,-0.6 4,-1.2 2,-0.2 3,-0.9 0.953 114.0 49.3 -73.4 -47.0 57.9 90.2 -4.1 592 291 B P H 3> S+ 0 0 4 0, 0.0 4,-0.9 0, 0.0 8,-0.5 0.843 107.6 58.6 -60.7 -24.3 54.6 91.7 -4.7 593 292 B A H 3< S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 3,-0.2 0.834 101.6 53.8 -69.9 -31.2 56.3 95.0 -4.1 594 293 B L H << S+ 0 0 59 -4,-1.0 -1,-0.2 -3,-0.9 -3,-0.1 0.737 109.1 49.6 -73.8 -22.0 58.7 94.2 -7.0 595 294 B E H < S- 0 0 112 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.647 122.2 -91.3 -90.8 -15.9 55.7 93.6 -9.3 596 295 B G X - 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