==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 01-SEP-08 2ZRU . COMPND 2 MOLECULE: ISOPENTENYL-DIPHOSPHATE DELTA-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SHIBATAE; . AUTHOR H.UNNO,S.YAMASHITA,Y.IKEDA,S.SEKIGUCHI,N.YOSHIDA,T.YOSHIMURA . 1424 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48494.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1040 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 147 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 3.4 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 . 73 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 172 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 523 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 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 1 9 5 3 8 17 11 8 0 0 0 0 4 0 0 0 0 3 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 15 7 13 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 PARALLEL BRIDGES PER LADDER . 8 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 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 V > 0 0 96 0, 0.0 4,-2.2 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 144.6 57.4 14.5 3.7 2 10 A E H > + 0 0 51 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.859 360.0 55.7 -56.6 -41.6 54.8 17.3 3.5 3 11 A H H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.896 109.6 45.1 -58.0 -45.7 55.8 18.7 6.9 4 12 A V H > S+ 0 0 33 -3,-0.3 4,-3.0 2,-0.2 5,-0.3 0.916 112.4 52.6 -64.2 -45.2 59.5 19.2 5.9 5 13 A E H X S+ 0 0 97 -4,-2.2 4,-2.1 2,-0.2 5,-0.3 0.900 114.3 42.1 -53.6 -50.7 58.4 20.7 2.5 6 14 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 3,-0.2 -2,-0.2 0.941 116.2 47.8 -63.2 -48.7 56.2 23.3 4.2 7 15 A A H < S+ 0 0 8 -4,-2.5 5,-0.3 -5,-0.2 -2,-0.2 0.919 120.0 37.6 -63.0 -43.7 58.6 24.1 7.0 8 16 A A H < S+ 0 0 12 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.839 130.6 25.5 -77.8 -34.4 61.6 24.5 4.6 9 17 A F H < S+ 0 0 147 -4,-2.1 2,-0.2 -5,-0.3 -3,-0.2 0.663 105.7 71.6-115.5 -13.4 59.8 26.2 1.7 10 18 A E S < S- 0 0 81 -4,-2.6 2,-1.6 -5,-0.3 3,-0.3 -0.619 89.6 -99.4 -96.9 165.6 56.7 28.0 2.9 11 19 A N S S+ 0 0 121 -2,-0.2 -4,-0.1 1,-0.2 -3,-0.1 -0.634 79.3 118.5 -81.5 85.8 56.5 31.2 5.0 12 20 A V + 0 0 0 -2,-1.6 202,-1.5 -5,-0.3 2,-1.0 0.315 31.3 112.8-132.1 0.7 55.9 29.6 8.4 13 21 A D B S-A 213 0A 49 -3,-0.3 200,-0.2 1,-0.2 199,-0.1 -0.706 105.9 -19.4 -81.7 105.0 58.9 30.8 10.4 14 22 A G S > S+ 0 0 22 198,-2.8 3,-1.8 -2,-1.0 2,-0.3 0.694 87.6 178.7 72.0 19.7 57.5 33.1 13.1 15 23 A L T 3 S- 0 0 39 -3,-0.5 -1,-0.2 1,-0.3 202,-0.1 -0.396 73.5 -22.4 -60.6 114.9 54.3 33.7 11.0 16 24 A S T 3 S+ 0 0 80 -2,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.730 123.9 102.5 51.6 26.4 52.0 36.0 13.1 17 25 A S < - 0 0 24 -3,-1.8 2,-0.3 194,-0.1 -1,-0.2 -0.775 55.6-151.0-133.2 175.1 54.0 34.9 16.2 18 26 A S - 0 0 47 -2,-0.2 226,-0.2 -3,-0.1 194,-0.2 -0.992 21.0-154.4-154.9 134.8 56.8 36.4 18.4 19 27 A T - 0 0 19 192,-0.3 226,-2.8 -2,-0.3 227,-0.5 0.623 40.1-133.2 -78.8 -15.3 59.6 35.1 20.6 20 28 A F S > S+ 0 0 20 224,-0.2 3,-1.8 225,-0.1 4,-0.2 0.506 70.4 128.1 66.0 5.4 59.4 38.3 22.7 21 29 A L G > + 0 0 0 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.767 59.3 66.3 -64.5 -23.1 63.2 38.4 22.3 22 30 A N G 3 S+ 0 0 137 1,-0.3 -1,-0.3 3,-0.0 313,-0.0 0.688 91.8 63.6 -70.6 -14.8 63.1 41.9 21.1 23 31 A D G < S+ 0 0 31 -3,-1.8 311,-2.8 310,-0.1 2,-0.5 0.476 92.8 79.2 -81.6 -4.2 61.9 42.9 24.6 24 32 A V E < -B 333 0B 0 -3,-1.4 2,-0.4 309,-0.2 309,-0.2 -0.925 60.8-174.7-110.0 122.7 65.3 41.7 25.9 25 33 A I E -B 332 0B 40 307,-2.9 307,-2.8 -2,-0.5 2,-0.5 -0.964 18.4-143.3-116.8 135.2 68.4 43.9 25.7 26 34 A L E -B 331 0B 3 -2,-0.4 2,-0.4 305,-0.2 1289,-0.4 -0.843 32.5-116.8 -92.0 126.4 71.9 42.8 26.7 27 35 A V - 0 0 0 303,-2.4 2,-0.2 -2,-0.5 303,-0.2 -0.504 25.6-125.8 -73.1 122.5 73.6 45.8 28.2 28 36 A H - 0 0 1 -2,-0.4 2,-0.6 1233,-0.2 1236,-0.3 -0.446 17.0-156.3 -62.7 133.1 76.6 46.9 26.2 29 37 A Q - 0 0 15 288,-3.0 290,-0.2 -2,-0.2 1234,-0.1 -0.923 3.9-165.5-114.0 101.8 79.9 47.1 28.2 30 38 A G S S+ 0 0 0 -2,-0.6 -1,-0.1 1232,-0.3 1191,-0.1 0.711 88.5 47.6 -64.5 -23.3 82.2 49.5 26.4 31 39 A F S S- 0 0 6 1,-0.1 -1,-0.3 1189,-0.1 1239,-0.1 -0.855 73.0-179.1-112.6 91.7 85.1 48.2 28.6 32 40 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.784 28.2-139.0 -60.8 -34.5 84.7 44.4 28.3 33 41 A G B S+c 1236 0C 22 1202,-0.7 1204,-0.6 1,-0.3 2,-0.3 0.624 74.6 67.0 84.4 13.5 87.7 43.6 30.6 34 42 A I S S- 0 0 9 1202,-0.2 1201,-2.0 282,-0.1 2,-0.3 -0.922 79.0-114.7-151.9 168.3 88.7 40.7 28.2 35 43 A S B > -D 1234 0D 7 -2,-0.3 3,-1.3 1199,-0.3 4,-0.4 -0.844 31.4-115.8-109.3 155.8 90.1 40.1 24.8 36 44 A F G > S+ 0 0 23 1197,-2.1 3,-1.5 -2,-0.3 1198,-0.1 0.853 113.0 57.7 -56.4 -39.0 88.1 38.2 22.1 37 45 A S G 3 S+ 0 0 86 1,-0.3 -1,-0.3 1196,-0.2 1197,-0.1 0.649 99.0 60.6 -71.7 -16.4 90.5 35.3 21.9 38 46 A E G < S+ 0 0 87 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.587 75.7 117.5 -84.7 -8.0 90.0 34.6 25.6 39 47 A I < - 0 0 11 -3,-1.5 2,-0.5 -4,-0.4 283,-0.2 -0.375 50.1-159.7 -63.4 128.8 86.2 34.0 25.2 40 48 A N B +e 322 0E 73 281,-2.7 283,-0.7 -2,-0.1 -1,-0.1 -0.952 16.5 179.1-115.4 113.8 85.4 30.4 26.2 41 49 A T + 0 0 17 -2,-0.5 -1,-0.1 10,-0.2 281,-0.1 0.377 41.2 123.0 -94.8 4.0 82.1 29.0 24.8 42 50 A K + 0 0 110 10,-0.1 281,-0.5 11,-0.1 2,-0.3 -0.322 32.5 162.0 -68.2 147.4 82.4 25.5 26.4 43 51 A T E -F 50 0F 19 7,-1.8 7,-2.8 9,-0.1 2,-0.3 -0.971 38.0 -89.0-155.7 170.8 79.7 24.2 28.7 44 52 A K E -F 49 0F 165 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.651 24.6-176.6 -87.3 139.3 78.3 21.0 30.3 45 53 A F E > -F 48 0F 2 3,-3.0 3,-2.1 -2,-0.3 2,-0.1 -0.879 67.6 -66.4-129.7 98.3 75.6 18.9 28.7 46 54 A F T 3 S- 0 0 56 -2,-0.4 -1,-0.2 1,-0.3 95,-0.1 -0.358 118.0 -11.9 46.6-121.2 74.9 16.2 31.3 47 55 A R T 3 S+ 0 0 251 93,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.432 127.6 73.1 -89.6 4.0 78.0 14.1 31.6 48 56 A K E < S-F 45 0F 58 -3,-2.1 -3,-3.0 92,-0.1 2,-0.4 -0.752 74.2-127.4-115.1 159.1 79.7 15.5 28.6 49 57 A E E -F 44 0F 139 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.884 24.6-161.5-101.9 139.8 81.4 18.8 27.7 50 58 A I E -F 43 0F 3 -7,-2.8 -7,-1.8 -2,-0.4 30,-0.2 -0.806 21.0-129.9-118.9 162.7 80.2 20.6 24.5 51 59 A S S S+ 0 0 51 28,-2.6 -10,-0.2 -2,-0.3 29,-0.2 0.716 89.6 21.0 -87.1 -23.5 82.0 23.3 22.6 52 60 A V S S- 0 0 5 27,-0.5 2,-2.0 2,-0.2 -1,-0.2 -0.982 81.6-113.5-147.2 140.2 79.3 25.9 22.3 53 61 A P S S+ 0 0 0 0, 0.0 230,-2.5 0, 0.0 2,-0.3 -0.259 85.2 94.2 -79.0 54.1 76.1 26.4 24.4 54 62 A V E -g 283 0G 1 -2,-2.0 2,-0.3 228,-0.2 -2,-0.2 -0.987 51.6-166.6-137.6 146.6 73.7 25.5 21.6 55 63 A M E -g 284 0G 6 228,-2.4 230,-1.9 -2,-0.3 2,-0.6 -0.931 25.1-124.1-125.9 156.7 72.0 22.2 20.4 56 64 A V E -gh 285 82G 0 25,-2.2 27,-3.2 -2,-0.3 230,-0.2 -0.906 36.4-143.2 -88.2 124.3 70.2 21.2 17.3 57 65 A T - 0 0 10 228,-2.2 28,-0.1 -2,-0.6 227,-0.0 -0.507 33.3 -69.1 -91.0 165.7 66.8 20.0 18.5 58 66 A G - 0 0 17 26,-0.3 2,-0.4 -2,-0.2 27,-0.2 -0.188 46.8-178.0 -65.1 138.1 65.0 17.0 16.9 59 67 A M 0 0 37 24,-0.3 26,-0.9 1,-0.1 9,-0.0 -0.980 360.0 360.0-135.7 125.3 63.5 17.1 13.4 60 68 A T 0 0 85 -2,-0.4 -1,-0.1 24,-0.2 25,-0.1 0.954 360.0 360.0 -84.0 360.0 61.5 14.3 11.7 61 ! 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 62 72 A N > 0 0 164 0, 0.0 4,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -55.7 66.1 7.6 3.4 63 73 A E H > + 0 0 115 2,-0.2 4,-1.0 1,-0.2 3,-0.1 0.818 360.0 52.1 -68.8 -33.6 66.0 11.3 2.3 64 74 A L H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.869 107.1 54.5 -67.6 -37.7 65.3 12.2 6.0 65 75 A G H > S+ 0 0 8 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.698 102.2 55.9 -69.3 -23.0 68.4 10.1 6.9 66 76 A R H X S+ 0 0 162 -4,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.796 108.7 46.4 -81.1 -28.3 70.7 12.0 4.6 67 77 A I H X S+ 0 0 29 -4,-1.0 4,-3.1 -3,-0.2 5,-0.2 0.924 112.7 51.2 -72.1 -46.5 69.8 15.4 6.2 68 78 A N H X S+ 0 0 11 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.835 109.7 51.2 -54.7 -37.1 70.3 13.7 9.6 69 79 A K H X S+ 0 0 84 -4,-1.2 4,-2.5 2,-0.2 5,-0.2 0.938 110.8 46.3 -66.7 -49.4 73.6 12.5 8.4 70 80 A I H X S+ 0 0 19 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.933 114.6 47.9 -59.2 -48.4 74.7 16.0 7.2 71 81 A I H X S+ 0 0 1 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.939 112.4 49.5 -58.7 -47.7 73.5 17.6 10.5 72 82 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.899 111.0 47.5 -62.3 -43.2 75.3 14.9 12.6 73 83 A E H X S+ 0 0 47 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.931 115.6 45.1 -65.9 -40.2 78.6 15.2 10.9 74 84 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.925 113.0 50.7 -68.6 -43.5 78.6 19.0 11.1 75 85 A A H X>S+ 0 0 0 -4,-3.1 5,-2.2 -5,-0.2 4,-1.1 0.930 110.1 50.5 -55.3 -48.8 77.4 18.9 14.8 76 86 A E H ><5S+ 0 0 40 -4,-2.7 3,-0.6 1,-0.2 -2,-0.2 0.918 108.8 52.1 -54.5 -45.7 80.3 16.4 15.6 77 87 A K H 3<5S+ 0 0 136 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.879 115.6 40.2 -57.9 -42.2 82.8 18.7 13.9 78 88 A F H 3<5S- 0 0 31 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.474 109.9-120.5 -91.3 -4.6 81.6 21.7 16.0 79 89 A G T <<5 + 0 0 13 -4,-1.1 -28,-2.6 -3,-0.6 -27,-0.5 0.857 64.0 141.4 70.0 33.9 81.2 19.8 19.2 80 90 A I < - 0 0 0 -5,-2.2 -1,-0.2 -30,-0.2 -25,-0.2 -0.912 52.4-112.1-112.7 139.7 77.5 20.6 19.5 81 91 A P - 0 0 0 0, 0.0 -25,-2.2 0, 0.0 2,-0.4 -0.249 28.8-154.1 -66.8 152.8 74.7 18.2 20.7 82 92 A M E -hi 56 112G 1 29,-2.0 31,-2.4 -27,-0.2 2,-0.3 -0.983 7.6-156.6-134.8 124.8 72.1 16.9 18.4 83 93 A G E - i 0 113G 5 -27,-3.2 -24,-0.3 -2,-0.4 2,-0.2 -0.738 17.5-142.9 -86.9 140.3 68.5 15.7 19.0 84 94 A V - 0 0 0 29,-2.5 -26,-0.3 -2,-0.3 -24,-0.2 -0.653 22.6-107.9 -91.0 162.5 67.0 13.4 16.4 85 95 A G - 0 0 2 -26,-0.9 30,-0.3 -2,-0.2 -1,-0.1 -0.206 67.8 -36.1 -77.6-177.9 63.3 13.6 15.5 86 96 A S - 0 0 20 1,-0.1 3,-0.3 28,-0.1 30,-0.2 -0.021 46.2-162.7 -48.4 129.9 60.7 11.0 16.5 87 97 A Q > + 0 0 0 28,-2.7 4,-2.1 1,-0.2 5,-0.2 0.271 62.7 105.4 -97.3 12.6 62.0 7.4 16.6 88 98 A R H > S+ 0 0 102 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.943 79.4 51.0 -55.0 -51.9 58.5 5.8 16.5 89 99 A V H > S+ 0 0 47 -3,-0.3 4,-3.2 1,-0.2 7,-0.3 0.877 111.7 47.7 -54.0 -40.1 58.9 4.8 12.8 90 100 A A H 4 S+ 0 0 1 2,-0.2 7,-0.3 6,-0.2 -1,-0.2 0.796 108.0 54.4 -75.4 -30.6 62.2 3.2 13.6 91 101 A I H < S+ 0 0 39 -4,-2.1 -1,-0.2 -3,-0.3 -2,-0.2 0.870 118.8 36.6 -62.6 -40.2 60.8 1.3 16.7 92 102 A E H < S+ 0 0 111 -4,-2.2 2,-0.5 -5,-0.2 -2,-0.2 0.895 118.9 46.5 -82.3 -42.1 58.1 -0.1 14.4 93 103 A K >X - 0 0 103 -4,-3.2 4,-0.6 -5,-0.2 3,-0.6 -0.917 62.6-153.7-116.3 118.4 60.1 -0.7 11.1 94 104 A A G >4 S+ 0 0 69 -2,-0.5 3,-0.7 1,-0.2 4,-0.3 0.802 95.5 59.2 -55.3 -35.3 63.5 -2.4 11.0 95 105 A E G >4 S+ 0 0 139 1,-0.2 3,-1.4 2,-0.2 4,-0.4 0.908 99.1 56.8 -60.0 -46.5 64.4 -0.5 7.8 96 106 A A G <4 S+ 0 0 21 -3,-0.6 3,-0.3 -7,-0.3 4,-0.3 0.645 85.7 82.4 -65.4 -17.7 64.0 2.9 9.3 97 107 A R G XX S+ 0 0 71 -3,-0.7 4,-2.5 -4,-0.6 3,-1.0 0.800 84.1 59.9 -54.9 -33.1 66.6 2.1 12.1 98 108 A E H <> S+ 0 0 127 -3,-1.4 4,-1.9 -4,-0.3 5,-0.3 0.936 93.0 62.6 -65.3 -46.3 69.5 3.0 9.7 99 109 A S H 34 S+ 0 0 24 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.518 115.8 34.8 -62.1 -4.0 68.4 6.6 9.1 100 110 A F H X4 S+ 0 0 10 -3,-1.0 3,-1.2 -4,-0.3 4,-0.4 0.695 112.4 58.8-109.2 -44.9 68.9 7.1 12.9 101 111 A A H >X S+ 0 0 29 -4,-2.5 3,-2.4 1,-0.3 4,-0.8 0.934 92.3 65.5 -51.7 -60.6 71.9 4.8 13.5 102 112 A I H 3X S+ 0 0 36 -4,-1.9 4,-1.7 1,-0.3 3,-0.5 0.740 87.7 75.6 -34.0 -33.3 74.3 6.5 11.0 103 113 A V H X> S+ 0 0 0 -3,-1.2 4,-1.7 -5,-0.3 3,-0.5 0.929 99.8 39.8 -46.0 -52.7 74.1 9.5 13.4 104 114 A R H <4 S+ 0 0 23 -3,-2.4 -1,-0.3 -4,-0.4 -2,-0.2 0.649 111.0 59.6 -77.7 -15.1 76.4 7.6 15.8 105 115 A K H 3< S+ 0 0 172 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.800 118.7 29.7 -70.8 -30.9 78.6 6.3 12.9 106 116 A V H << S+ 0 0 34 -4,-1.7 -2,-0.2 -3,-0.5 -3,-0.2 0.575 127.2 42.4-113.2 -17.4 79.3 9.9 11.9 107 117 A A < + 0 0 0 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.1 -0.595 63.1 159.1-134.3 69.4 79.1 11.6 15.3 108 118 A P S S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.671 73.3 32.9 -64.1 -23.9 80.9 9.3 17.8 109 119 A T S S+ 0 0 89 2,-0.1 3,-0.1 -61,-0.0 -2,-0.1 0.804 91.4 88.2-112.0 -34.6 81.6 11.9 20.5 110 120 A I S S- 0 0 6 1,-0.1 2,-0.2 -38,-0.1 -34,-0.1 -0.198 86.7 -92.7 -67.3 156.2 78.8 14.6 20.8 111 121 A P - 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0 0 13 -4,-1.5 4,-1.9 -3,-0.3 3,-0.4 -0.583 38.1 -63.3 134.3 170.8 74.4 21.1 1.9 297 307 A K H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.811 126.2 48.7 -54.5 -45.0 77.2 20.4 4.4 298 308 A E H > S+ 0 0 138 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.815 108.4 55.3 -69.8 -31.6 79.3 23.5 3.7 299 309 A S H > S+ 0 0 24 -3,-0.4 4,-2.1 -7,-0.2 -2,-0.2 0.924 111.0 44.4 -64.6 -44.0 76.2 25.7 4.0 300 310 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 -8,-0.4 -2,-0.2 0.881 111.2 54.0 -68.7 -38.7 75.5 24.2 7.5 301 311 A E H X S+ 0 0 26 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.945 111.2 45.5 -57.4 -48.1 79.2 24.6 8.4 302 312 A Q H X S+ 0 0 50 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.856 109.5 57.1 -60.9 -37.6 79.0 28.3 7.4 303 313 A F H X S+ 0 0 22 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.943 109.5 43.7 -57.0 -51.6 75.7 28.6 9.4 304 314 A F H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.824 109.8 55.6 -67.1 -34.3 77.4 27.3 12.6 305 315 A R H X S+ 0 0 109 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.913 111.8 45.2 -60.7 -40.6 80.4 29.6 12.1 306 316 A K H X S+ 0 0 25 -4,-2.0 4,-2.6 2,-0.2 -37,-0.2 0.910 112.2 49.4 -68.6 -46.8 78.0 32.5 11.9 307 317 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.920 114.4 46.6 -59.4 -44.0 75.9 31.5 14.9 308 318 A I H X S+ 0 0 26 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.889 111.4 50.2 -69.0 -40.8 79.1 31.0 16.9 309 319 A F H X S+ 0 0 22 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.930 111.5 49.7 -58.6 -46.3 80.6 34.3 15.8 310 320 A E H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.884 110.2 50.6 -62.7 -40.5 77.4 36.1 16.7 311 321 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.938 112.5 45.2 -62.6 -47.4 77.4 34.4 20.1 312 322 A K H X S+ 0 0 54 -4,-2.4 4,-3.4 1,-0.2 -2,-0.2 0.847 108.1 58.5 -67.4 -37.0 81.0 35.4 20.9 313 323 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.929 109.8 43.8 -52.5 -47.8 80.2 39.0 19.6 314 324 A A H X S+ 0 0 0 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.896 114.3 50.2 -69.2 -38.6 77.5 39.2 22.3 315 325 A M H ><>S+ 0 0 0 -4,-2.3 5,-3.4 2,-0.2 3,-0.8 0.947 112.7 46.7 -58.4 -51.2 79.8 37.7 24.9 316 326 A M H ><5S+ 0 0 0 -4,-3.4 3,-1.4 1,-0.2 -2,-0.2 0.920 112.4 49.4 -55.3 -47.3 82.6 40.1 24.0 317 327 A L H 3<5S+ 0 0 0 -4,-2.4 -288,-3.0 1,-0.3 -1,-0.2 0.501 112.9 46.8 -81.3 -5.6 80.3 43.2 24.1 318 328 A T T <<5S- 0 0 5 -3,-0.8 -1,-0.3 -4,-0.7 12,-0.2 0.278 113.9-115.8-108.2 5.8 78.8 42.2 27.4 319 329 A G T < 5 + 0 0 26 -3,-1.4 2,-0.8 -4,-0.3 -3,-0.2 0.883 63.1 153.2 60.1 40.6 82.2 41.5 28.9 320 330 A S < - 0 0 1 -5,-3.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.859 25.9-175.5-106.6 102.1 81.3 37.9 29.4 321 331 A K + 0 0 105 -2,-0.8 -281,-2.7 -282,-0.1 2,-0.3 0.723 69.6 3.9 -68.3 -25.2 84.4 35.7 29.3 322 332 A D B > S-e 40 0E 37 -283,-0.2 4,-2.3 -7,-0.1 -281,-0.2 -0.905 86.7 -87.1-151.9 175.7 82.5 32.5 29.5 323 333 A V H > S+ 0 0 3 -283,-0.7 4,-2.7 -281,-0.5 5,-0.2 0.923 123.9 54.2 -60.2 -43.0 79.0 31.0 29.5 324 334 A D H > S+ 0 0 99 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.905 109.9 48.3 -57.3 -43.2 78.7 31.3 33.3 325 335 A A H >4 S+ 0 0 23 1,-0.2 3,-1.0 2,-0.2 4,-0.4 0.899 109.8 52.7 -61.1 -41.8 79.5 35.1 33.0 326 336 A L H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.928 102.0 59.3 -58.4 -46.9 76.9 35.3 30.1 327 337 A K H 3< S+ 0 0 40 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.669 114.1 37.6 -59.1 -18.2 74.2 33.8 32.3 328 338 A K T << S+ 0 0 99 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.366 86.1 125.1-117.0 11.4 74.7 36.7 34.8 329 339 A T S < S- 0 0 13 -3,-1.7 2,-0.1 -4,-0.4 -10,-0.1 -0.282 70.8 -89.6 -70.7 155.2 75.4 39.6 32.5 330 340 A S + 0 0 21 -12,-0.2 -303,-2.4 -303,-0.2 2,-0.3 -0.374 51.3 178.4 -67.9 134.8 73.2 42.7 32.9 331 341 A I E -B 26 0B 2 -305,-0.2 2,-0.4 -2,-0.1 -305,-0.2 -0.827 24.7-137.4-126.5 168.8 70.0 42.9 30.8 332 342 A V E -B 25 0B 0 -307,-2.8 -307,-2.9 -2,-0.3 2,-0.5 -1.000 12.4-160.6-121.4 132.9 67.0 45.1 30.2 333 343 A I E +B 24 0B 0 -2,-0.4 -309,-0.2 -309,-0.2 2,-0.2 -0.973 23.7 166.7-111.2 125.1 63.5 43.7 30.0 334 344 A L >> - 0 0 11 -311,-2.8 4,-1.5 -2,-0.5 3,-0.7 -0.624 34.0 -1.4-122.5 172.3 61.0 46.0 28.2 335 345 A G H 3> S- 0 0 20 1,-0.2 4,-2.0 -2,-0.2 3,-0.3 0.076 116.8 -0.7 57.6-138.7 57.5 46.1 26.7 336 346 A K H 3> S+ 0 0 127 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.820 129.9 55.9 -64.1 -33.8 55.2 43.1 26.4 337 347 A L H <> S+ 0 0 0 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.900 108.3 49.8 -65.9 -39.6 57.6 40.6 28.0 338 348 A K H X S+ 0 0 30 -4,-1.5 4,-2.3 -3,-0.3 -2,-0.2 0.918 113.1 46.1 -60.6 -45.8 57.8 43.0 31.1 339 349 A E H X S+ 0 0 35 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.900 111.8 51.8 -65.3 -41.1 54.0 43.1 31.2 340 350 A W H X S+ 0 0 4 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.975 111.6 45.8 -55.4 -58.8 53.8 39.3 30.7 341 351 A A H <>S+ 0 0 0 -4,-2.6 5,-2.9 1,-0.2 4,-0.3 0.879 113.4 50.4 -50.7 -47.5 56.2 38.6 33.7 342 352 A E H ><5S+ 0 0 72 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.948 111.9 45.6 -60.0 -53.2 54.4 41.2 35.9 343 353 A Y H 3<5S+ 0 0 39 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.881 110.6 55.8 -57.8 -35.1 51.0 39.7 35.3 344 354 A R T 3<5S- 0 0 30 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.439 119.0-108.2 -85.7 3.0 52.3 36.2 35.8 345 355 A G T < 5 + 0 0 51 -3,-1.6 2,-1.1 -4,-0.3 -3,-0.2 0.637 64.6 151.8 85.9 15.3 53.7 37.0 39.3 346 356 A I < - 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0 0 45 -5,-2.6 3,-1.8 -6,-0.2 -1,-0.2 -0.739 42.1-140.4 -87.0 126.2 22.2 64.5 7.2 587 239 B W T >> S+ 0 0 83 -2,-0.4 3,-1.4 1,-0.3 4,-0.7 0.649 91.7 83.0 -60.8 -18.5 25.1 66.5 8.8 588 240 B K H 3> S+ 0 0 30 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.692 73.9 78.0 -59.5 -17.2 24.9 64.3 12.0 589 241 B A H <> S+ 0 0 12 -3,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.857 90.7 51.2 -63.0 -36.5 27.1 61.8 10.1 590 242 B E H <> S+ 0 0 89 -3,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.883 111.2 48.0 -66.4 -37.7 30.1 63.9 10.8 591 243 B S H >< S+ 0 0 0 -4,-0.7 3,-0.8 2,-0.2 4,-0.5 0.946 109.2 53.0 -67.6 -48.1 29.3 63.9 14.5 592 244 B A H >< S+ 0 0 0 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.869 102.4 60.0 -50.8 -43.2 28.7 60.1 14.6 593 245 B K H >< S+ 0 0 140 -4,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.865 99.2 56.2 -55.2 -39.3 32.2 59.7 13.0 594 246 B N T << S+ 0 0 56 -4,-1.0 -1,-0.3 -3,-0.8 3,-0.2 0.643 110.3 47.7 -64.6 -15.2 33.7 61.4 16.1 595 247 B F T X S+ 0 0 0 -3,-1.6 3,-2.1 -4,-0.5 -1,-0.2 0.240 73.5 110.6-112.5 11.0 32.0 58.8 18.2 596 248 B L T < S+ 0 0 13 -3,-1.3 -21,-0.2 1,-0.3 -1,-0.1 0.799 84.8 44.0 -60.3 -30.2 32.9 55.6 16.3 597 249 B D T 3 S+ 0 0 99 -4,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.132 87.8 130.0 -99.9 20.0 35.2 54.5 19.2 598 250 B W < + 0 0 13 -3,-2.1 2,-0.2 2,-0.1 -24,-0.1 -0.527 43.9 42.6 -75.1 135.9 32.7 55.4 21.9 599 251 B G S S- 0 0 4 143,-0.4 -53,-0.2 -2,-0.2 -54,-0.1 -0.531 90.6 -56.1 126.8 173.9 31.8 52.8 24.6 600 252 B V - 0 0 0 -55,-3.0 -32,-1.9 -2,-0.2 -53,-0.1 -0.835 57.6-119.1 -88.6 122.0 33.2 50.2 26.9 601 253 B P B > -e 568 0Q 2 0, 0.0 4,-2.9 0, 0.0 3,-0.5 -0.286 25.9-112.9 -54.2 139.2 35.3 47.5 25.0 602 254 B T H > S+ 0 0 0 -34,-1.9 4,-2.5 1,-0.2 5,-0.2 0.864 115.8 49.0 -44.9 -51.4 33.9 44.0 25.4 603 255 B A H > S+ 0 0 0 -226,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.885 113.8 46.4 -57.9 -41.7 36.9 42.7 27.5 604 256 B A H > S+ 0 0 0 -3,-0.5 4,-2.9 -227,-0.4 -2,-0.2 0.881 111.7 52.3 -66.2 -38.9 36.8 45.7 29.8 605 257 B S H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.900 107.2 50.7 -65.0 -45.7 33.0 45.4 30.2 606 258 B I H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 5,-0.3 0.940 114.3 47.0 -53.3 -48.2 33.3 41.7 31.1 607 259 B M H X S+ 0 0 1 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.924 113.0 46.6 -62.1 -45.7 35.9 42.7 33.7 608 260 B E H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.885 115.1 45.6 -68.7 -38.8 33.8 45.6 35.1 609 261 B V H X S+ 0 0 0 -4,-2.7 4,-2.9 -62,-0.2 7,-0.2 0.947 115.3 45.8 -71.4 -45.5 30.6 43.7 35.4 610 262 B R H < S+ 0 0 17 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.890 117.5 45.9 -61.6 -40.4 32.2 40.6 37.0 611 263 B Y H < S+ 0 0 54 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.905 118.9 38.4 -67.8 -44.0 34.2 42.8 39.4 612 264 B S H < S+ 0 0 21 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.778 131.0 28.8 -86.4 -28.9 31.3 45.1 40.4 613 265 B V >< + 0 0 1 -4,-2.9 3,-2.2 -5,-0.2 -1,-0.3 -0.667 69.1 173.8-129.5 81.8 28.7 42.3 40.5 614 266 B P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.745 79.7 52.6 -55.9 -33.4 30.6 39.0 41.4 615 267 B D T 3 S+ 0 0 74 2,-0.1 -5,-0.1 0, 0.0 -54,-0.0 0.391 86.1 122.3 -87.0 0.8 27.4 37.0 41.7 616 268 B S < - 0 0 6 -3,-2.2 2,-0.6 -7,-0.2 -54,-0.2 -0.136 65.6-128.3 -62.9 154.5 26.0 38.1 38.2 617 269 B F E -b 562 0O 32 -56,-2.2 -54,-2.3 22,-0.0 2,-0.4 -0.956 42.1-163.1 -94.9 126.0 25.1 35.7 35.4 618 270 B L E -b 563 0O 0 -2,-0.6 21,-3.0 -56,-0.2 22,-1.5 -0.956 25.3-160.8-128.3 121.5 27.1 37.3 32.6 619 271 B V E -bc 564 640O 1 -56,-3.0 -54,-2.6 -2,-0.4 2,-0.9 -0.860 17.7-148.3 -94.7 123.2 27.0 37.0 28.8 620 272 B G E + c 0 641O 0 20,-3.4 22,-2.1 -2,-0.5 2,-0.3 -0.849 39.9 148.4 -91.1 105.7 30.3 38.2 27.3 621 273 B S E + c 0 642O 2 -2,-0.9 -54,-2.2 20,-0.2 22,-0.1 -0.931 13.0 88.5-139.2 165.8 29.3 39.7 23.9 622 274 B G S S+ 0 0 12 20,-0.6 -20,-0.2 -56,-0.3 -55,-0.1 0.562 101.9 8.9 111.5 94.1 30.2 42.4 21.4 623 275 B G S S+ 0 0 7 1,-0.3 2,-0.8 -54,-0.1 -246,-0.1 0.695 76.7 153.8 85.8 17.6 32.7 41.4 18.7 624 276 B I + 0 0 0 18,-0.4 -1,-0.3 1,-0.2 20,-0.2 -0.741 6.4 154.6 -80.7 113.8 32.9 37.7 19.5 625 277 B R + 0 0 56 -2,-0.8 2,-0.3 1,-0.1 -1,-0.2 0.403 54.1 30.2-124.4 -3.6 33.9 36.3 16.1 626 278 B S S > S- 0 0 5 1,-0.0 4,-1.9 39,-0.0 -1,-0.1 -0.959 80.9-106.5-147.5 164.4 35.7 33.0 16.8 627 279 B G H > S+ 0 0 0 -2,-0.3 4,-2.0 37,-0.2 5,-0.1 0.692 122.3 58.3 -64.1 -21.9 35.6 30.2 19.4 628 280 B L H > S+ 0 0 13 2,-0.2 4,-3.0 3,-0.2 -1,-0.2 0.915 104.8 48.0 -70.1 -47.6 38.9 31.7 20.6 629 281 B D H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.901 113.0 50.7 -54.3 -43.1 37.1 35.1 21.3 630 282 B A H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.930 110.2 47.8 -62.3 -45.7 34.5 33.0 23.0 631 283 B A H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.890 111.5 50.8 -65.1 -42.5 37.0 31.2 25.2 632 284 B K H X S+ 0 0 23 -4,-3.0 4,-2.9 2,-0.2 -1,-0.2 0.917 108.7 51.6 -58.8 -46.3 38.7 34.5 26.1 633 285 B A H X>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 4,-0.8 0.888 114.5 42.7 -58.4 -42.9 35.4 36.0 27.2 634 286 B I H ><5S+ 0 0 0 -4,-1.9 3,-0.7 3,-0.2 -2,-0.2 0.923 114.3 49.6 -70.4 -46.6 34.6 33.1 29.4 635 287 B A H 3<5S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.909 108.5 55.5 -61.2 -39.2 38.1 32.8 30.9 636 288 B L H 3<5S- 0 0 0 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.744 137.8 -74.2 -60.7 -31.3 38.1 36.6 31.6 637 289 B G T <<5S+ 0 0 4 -4,-0.8 -3,-0.2 -3,-0.7 -2,-0.1 0.329 89.8 122.4 152.6 -9.7 34.9 36.3 33.6 638 290 B A < - 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0 0 0 -5,-2.4 -1,-0.3 -6,-0.2 -19,-0.2 -0.416 50.2-146.0 -73.6 154.2 75.1 65.9 30.9 1355 291 D D S S- 0 0 24 -21,-2.7 2,-0.3 1,-0.3 -20,-0.2 0.809 83.9 -1.5 -83.5 -36.7 77.4 68.9 31.4 1356 292 D I E S- f 01335d 0 -22,-1.8 -20,-3.2 -7,-0.1 2,-0.4 -0.959 72.7-119.2-144.9 165.8 77.9 69.4 27.8 1357 293 D A E -yf11281336d 0 -230,-2.4 -228,-2.7 -2,-0.3 2,-0.3 -0.854 24.1-151.2-104.5 145.5 76.7 67.8 24.5 1358 294 D G E -yf11291337d 0 -22,-2.1 -20,-0.5 -2,-0.4 -18,-0.4 -0.873 10.9-173.4-114.9 150.3 79.1 66.4 21.9 1359 295 D M E +y 1130 0d 3 -230,-2.0 -228,-2.2 -2,-0.3 -18,-0.1 -0.995 16.9 154.5-139.2 145.8 78.8 66.0 18.1 1360 296 D A >> + 0 0 20 -2,-0.3 4,-1.8 -20,-0.2 3,-1.2 0.472 66.9 47.3-128.3 -75.5 80.9 64.4 15.5 1361 297 D L H 3> S+ 0 0 4 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.790 111.0 48.3 -46.9 -53.3 79.2 63.2 12.2 1362 298 D P H 3> S+ 0 0 15 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.828 111.2 52.9 -62.4 -31.4 77.1 66.4 11.3 1363 299 D V H <> S+ 0 0 0 -3,-1.2 4,-3.2 2,-0.2 -2,-0.2 0.908 109.7 48.8 -63.7 -46.3 80.2 68.5 11.9 1364 300 D L H X S+ 0 0 10 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.939 111.6 49.2 -54.4 -53.8 82.2 66.3 9.5 1365 301 D K H X S+ 0 0 73 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.886 115.8 42.7 -57.7 -44.4 79.4 66.5 6.9 1366 302 D S H X S+ 0 0 16 -4,-2.2 4,-1.3 2,-0.2 8,-0.4 0.912 111.6 53.8 -68.1 -44.7 79.3 70.3 7.2 1367 303 D A H < S+ 0 0 1 -4,-3.2 3,-0.5 1,-0.2 -2,-0.2 0.902 104.6 56.7 -55.3 -42.6 83.1 70.7 7.3 1368 304 D I H < S+ 0 0 65 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.881 105.6 50.1 -57.7 -41.5 83.3 68.7 4.0 1369 305 D E H < S- 0 0 156 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.761 125.0-100.5 -65.6 -27.9 80.9 71.3 2.4 1370 306 D G X - 0 0 14 -4,-1.3 4,-2.2 -3,-0.5 -1,-0.2 -0.611 36.0 -58.7 132.0 175.6 83.2 74.1 3.7 1371 307 D K H > S+ 0 0 74 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.887 126.5 48.3 -58.6 -47.7 84.0 76.7 6.3 1372 308 D E H > S+ 0 0 143 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.858 110.4 53.3 -65.3 -35.2 80.8 78.8 5.8 1373 309 D S H > S+ 0 0 26 2,-0.2 4,-2.2 -7,-0.2 -2,-0.2 0.924 111.4 44.9 -62.0 -46.0 78.7 75.6 5.9 1374 310 D L H X S+ 0 0 0 -4,-2.2 4,-2.3 -8,-0.4 -2,-0.2 0.890 112.0 52.7 -66.7 -40.1 80.2 74.7 9.3 1375 311 D E H X S+ 0 0 29 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.929 111.0 46.7 -57.4 -47.8 79.8 78.3 10.5 1376 312 D Q H X S+ 0 0 61 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.856 109.6 56.1 -61.6 -37.4 76.1 78.2 9.5 1377 313 D F H X S+ 0 0 20 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.938 108.8 44.7 -61.2 -49.8 75.8 74.7 11.2 1378 314 D F H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.908 110.0 56.0 -64.5 -39.9 77.0 76.1 14.6 1379 315 D R H X S+ 0 0 109 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.896 110.2 46.0 -53.6 -42.7 74.8 79.1 14.3 1380 316 D K H X S+ 0 0 28 -4,-1.9 4,-2.3 2,-0.2 -37,-0.2 0.897 112.0 49.6 -67.5 -46.8 71.8 76.8 13.9 1381 317 D I H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.925 113.1 47.6 -58.4 -47.6 72.8 74.5 16.8 1382 318 D I H X S+ 0 0 27 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.908 110.9 49.4 -65.5 -44.0 73.3 77.5 19.1 1383 319 D F H X S+ 0 0 22 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.931 111.9 50.3 -56.6 -45.8 70.0 79.2 18.1 1384 320 D E H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.896 110.8 48.6 -63.4 -41.3 68.2 75.9 18.8 1385 321 D L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.933 113.4 46.0 -62.1 -49.7 69.9 75.5 22.2 1386 322 D K H X S+ 0 0 50 -4,-2.5 4,-3.8 1,-0.2 -2,-0.2 0.857 108.8 57.6 -64.0 -35.7 69.0 79.0 23.2 1387 323 D A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.921 110.0 43.3 -55.6 -48.1 65.5 78.5 21.9 1388 324 D A H X S+ 0 0 0 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.889 115.2 49.6 -69.0 -38.7 65.1 75.5 24.3 1389 325 D M H ><>S+ 0 0 0 -4,-2.6 5,-3.4 2,-0.2 3,-0.8 0.953 113.5 46.3 -62.2 -47.9 66.7 77.5 27.1 1390 326 D M H ><5S+ 0 0 0 -4,-3.8 3,-1.6 1,-0.2 -2,-0.2 0.955 113.1 48.8 -55.1 -51.7 64.3 80.5 26.4 1391 327 D L H 3<5S+ 0 0 0 -4,-2.8 -288,-2.6 1,-0.3 -1,-0.2 0.508 113.8 45.9 -77.4 -7.0 61.3 78.2 26.2 1392 328 D T T <<5S- 0 0 5 -3,-0.8 -1,-0.3 -4,-0.7 12,-0.2 0.337 114.6-114.3-107.0 1.6 62.1 76.4 29.4 1393 329 D G T < 5 + 0 0 25 -3,-1.6 2,-0.8 -4,-0.5 -3,-0.2 0.893 62.2 155.1 70.3 36.2 62.9 79.7 31.3 1394 330 D S < - 0 0 2 -5,-3.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.867 24.8-175.8-104.9 103.9 66.6 78.7 31.6 1395 331 D K S S+ 0 0 108 -2,-0.8 -281,-2.8 -282,-0.1 2,-0.3 0.708 70.2 2.2 -71.8 -21.8 68.8 81.9 31.9 1396 332 D D B > S-w 1114 0b 28 -283,-0.2 4,-2.2 -7,-0.1 -281,-0.2 -0.895 85.4 -86.7-154.6 177.9 72.0 79.8 31.9 1397 333 D V H > S+ 0 0 2 -283,-0.7 4,-2.4 -281,-0.4 5,-0.2 0.893 123.1 55.4 -63.8 -40.7 73.5 76.4 31.5 1398 334 D D H 4 S+ 0 0 100 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.887 109.3 47.5 -57.8 -42.1 73.1 75.7 35.3 1399 335 D A H >4 S+ 0 0 26 1,-0.2 3,-1.3 2,-0.2 4,-0.5 0.905 108.6 54.0 -67.9 -40.6 69.4 76.5 35.0 1400 336 D L H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.3 -2,-0.2 0.924 101.5 60.4 -56.4 -45.7 69.0 74.2 32.0 1401 337 D K T 3< S+ 0 0 35 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.661 114.5 35.5 -57.0 -18.9 70.5 71.4 34.0 1402 338 D K T < S+ 0 0 97 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.345 87.6 126.8-119.2 11.4 67.7 71.6 36.5 1403 339 D T S < S- 0 0 15 -3,-1.6 2,-0.1 -4,-0.5 -10,-0.1 -0.213 71.2 -87.0 -71.0 158.5 64.8 72.6 34.3 1404 340 D S + 0 0 28 -12,-0.2 -303,-2.5 -303,-0.2 2,-0.3 -0.419 53.4 176.0 -70.4 135.4 61.6 70.5 34.4 1405 341 D I E -V 1100 0a 3 -305,-0.2 2,-0.4 -2,-0.1 -305,-0.2 -0.850 24.8-140.2-131.5 164.6 61.5 67.4 32.2 1406 342 D V E -V 1099 0a 0 -307,-2.5 -307,-2.7 -2,-0.3 2,-0.5 -0.998 12.3-158.2-124.3 131.3 59.2 64.5 31.4 1407 343 D I E +V 1098 0a 0 -2,-0.4 2,-0.2 -309,-0.2 -309,-0.2 -0.951 24.0 166.2-109.8 126.3 60.5 61.0 30.8 1408 344 D L >> - 0 0 9 -311,-2.9 4,-1.7 -2,-0.5 3,-0.6 -0.664 33.4 -0.3-124.1 172.7 58.3 58.6 28.9 1409 345 D G H 3> S- 0 0 22 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.018 116.2 -1.2 61.7-138.9 58.2 55.3 27.0 1410 346 D K H 3> S+ 0 0 126 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.845 131.6 54.5 -63.4 -36.9 61.2 53.0 26.5 1411 347 D L H <> S+ 0 0 0 -3,-0.6 4,-2.9 2,-0.2 -1,-0.2 0.931 108.2 50.4 -64.0 -43.8 63.6 55.3 28.3 1412 348 D K H X S+ 0 0 29 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.948 113.5 45.4 -52.6 -52.3 61.2 55.2 31.4 1413 349 D E H X S+ 0 0 36 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.887 111.8 52.2 -62.0 -42.6 61.1 51.4 31.2 1414 350 D W H X S+ 0 0 3 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.955 111.6 45.7 -56.3 -54.3 64.9 51.2 30.8 1415 351 D A H <>S+ 0 0 0 -4,-2.9 5,-2.7 1,-0.2 4,-0.2 0.939 113.2 50.4 -57.4 -48.7 65.5 53.4 33.8 1416 352 D E H ><5S+ 0 0 70 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.943 111.5 47.2 -54.3 -52.8 63.0 51.5 35.9 1417 353 D Y H 3<5S+ 0 0 35 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.855 109.6 55.1 -58.0 -32.8 64.5 48.1 35.0 1418 354 D R T 3<5S- 0 0 31 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.354 118.5-108.1 -89.0 6.6 68.0 49.4 35.8 1419 355 D G T < 5 + 0 0 51 -3,-1.7 2,-1.2 1,-0.2 -3,-0.2 0.729 66.0 151.0 75.7 21.9 67.1 50.4 39.3 1420 356 D I < - 0 0 4 -5,-2.7 2,-0.5 -6,-0.2 -1,-0.2 -0.758 39.8-147.7 -85.9 97.0 67.2 54.2 38.5 1421 357 D N > - 0 0 91 -2,-1.2 4,-2.5 1,-0.2 5,-0.2 -0.594 8.0-144.0 -63.5 116.5 64.7 55.5 41.1 1422 358 D L H > S+ 0 0 29 -2,-0.5 4,-1.1 1,-0.2 -1,-0.2 0.647 95.2 54.3 -65.7 -14.5 63.3 58.4 39.0 1423 359 D S H > S+ 0 0 71 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.902 110.7 41.3 -85.7 -46.8 62.9 60.5 42.2 1424 360 D I H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.842 112.4 59.0 -70.7 -27.4 66.5 60.1 43.5 1425 361 D Y H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.922 101.0 54.6 -58.6 -48.9 67.6 60.6 39.8 1426 362 D E H X S+ 0 0 25 -4,-1.1 4,-1.3 2,-0.2 -2,-0.2 0.920 109.8 47.0 -49.7 -49.0 65.8 64.0 39.7 1427 363 D K H >< S+ 0 0 106 -4,-1.5 3,-0.7 1,-0.2 4,-0.2 0.976 112.3 49.0 -58.6 -56.8 67.9 65.1 42.8 1428 364 D V H >< S+ 0 0 30 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.875 112.1 46.7 -50.4 -48.4 71.2 63.9 41.4 1429 365 D R H 3< S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.775 109.9 55.8 -71.9 -24.1 70.8 65.6 38.0 1430 366 D K T << 0 0 45 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.273 360.0 360.0 -87.2 6.3 69.7 68.9 39.6 1431 367 D R < 0 0 201 -3,-1.3 -3,-0.0 -4,-0.2 -30,-0.0 -0.505 360.0 360.0-121.8 360.0 72.8 69.3 41.8