==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-DEC-11 4ABY . COMPND 2 MOLECULE: DNA REPAIR PROTEIN RECN; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR S.PELLEGRINO,J.RADZIMANOWSKI,D.DE SANCTIS,S.MCSWEENEY,J.TIMM . 1381 22 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 66720.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1044 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 216 15.6 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 105 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 135 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 479 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.0 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 6 0 4 2 7 3 0 4 4 3 3 2 0 0 1 0 0 0 0 1 0 1 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 0 0 1 11 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 . 5 3 5 4 3 6 5 2 3 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 4 0 0 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 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 32 A P 0 0 127 0, 0.0 263,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 56.9 115.2 32.4 89.1 2 33 A R - 0 0 103 67,-0.2 2,-0.9 1,-0.1 262,-0.1 -0.019 360.0 -85.7 -65.7 169.4 116.5 30.8 85.8 3 34 A L - 0 0 0 66,-0.2 66,-0.3 1,-0.2 -1,-0.1 -0.721 49.5-180.0 -75.0 107.4 118.2 27.5 85.4 4 35 A S + 0 0 38 64,-2.3 17,-0.7 -2,-0.9 2,-0.3 0.841 59.1 13.5 -82.0 -37.2 121.8 28.6 86.1 5 36 A R E -AB 20 68A 55 63,-1.6 63,-2.5 15,-0.2 2,-0.4 -0.976 56.9-162.2-145.6 152.1 123.6 25.3 85.7 6 37 A L E -AB 19 67A 0 13,-1.7 13,-2.8 -2,-0.3 2,-0.5 -0.982 4.5-167.1-142.3 123.7 123.0 21.8 84.3 7 38 A E E +AB 18 66A 44 59,-3.4 59,-2.6 -2,-0.4 2,-0.4 -0.952 8.0 180.0-117.8 120.5 124.9 18.7 85.0 8 39 A I E -AB 17 65A 0 9,-2.6 9,-2.4 -2,-0.5 2,-0.4 -0.968 2.4-175.1-121.4 130.8 124.5 15.6 82.9 9 40 A R E -AB 16 64A 60 55,-2.3 55,-1.8 -2,-0.4 7,-0.2 -0.989 66.9 -10.6-129.4 129.9 126.3 12.3 83.4 10 41 A N E S+ 0 0 14 5,-2.4 47,-2.8 -2,-0.4 2,-0.6 0.869 83.9 147.0 53.7 45.4 126.1 9.2 81.2 11 42 A L E > -AC 14 56A 0 3,-1.6 3,-1.9 45,-0.2 2,-0.4 -0.942 69.4 -62.4-112.2 113.2 123.2 10.4 79.2 12 43 A A T 3 S- 0 0 34 43,-1.9 46,-0.6 -2,-0.6 22,-0.0 -0.326 125.8 -2.1 57.5-109.7 123.2 9.2 75.5 13 44 A T T 3 S+ 0 0 56 -2,-0.4 312,-2.6 44,-0.1 2,-0.6 0.154 116.9 96.7 -97.4 17.3 126.3 10.6 73.9 14 45 A I E < +A 11 0A 0 -3,-1.9 -3,-1.6 310,-0.2 -4,-0.3 -0.923 38.8 171.1-118.4 111.6 127.3 12.5 77.0 15 46 A T E S- 0 0 18 -2,-0.6 -5,-2.4 1,-0.3 2,-0.4 0.968 81.7 -8.0 -74.6 -61.4 129.8 11.1 79.4 16 47 A Q E +A 9 0A 108 -7,-0.2 2,-0.4 309,-0.2 -1,-0.3 -0.982 69.9 174.7-143.0 124.3 130.1 14.2 81.6 17 48 A L E -A 8 0A 13 -9,-2.4 -9,-2.6 -2,-0.4 2,-0.5 -0.973 8.5-179.9-137.9 118.7 128.6 17.6 80.8 18 49 A E E -A 7 0A 111 -2,-0.4 2,-0.6 -11,-0.2 -11,-0.2 -0.956 14.7-173.9-118.8 111.5 128.7 20.6 83.1 19 50 A L E -A 6 0A 10 -13,-2.8 -13,-1.7 -2,-0.5 2,-1.2 -0.907 20.1-162.3-118.0 112.9 126.9 23.5 81.5 20 51 A E E +A 5 0A 128 -2,-0.6 2,-0.4 -15,-0.2 -15,-0.2 -0.772 32.3 162.9 -84.4 94.6 126.8 27.0 82.8 21 52 A L + 0 0 1 -2,-1.2 2,-0.3 -17,-0.7 -2,-0.1 -0.966 3.0 140.9-117.7 134.7 123.8 28.3 80.8 22 53 A G + 0 0 11 -2,-0.4 2,-0.4 3,-0.1 -18,-0.1 -0.978 23.1 61.4-157.2 167.4 121.9 31.4 81.8 23 54 A G S S- 0 0 33 -2,-0.3 3,-0.1 1,-0.1 -20,-0.1 -0.936 82.4 -52.9 126.5-131.9 120.1 34.5 80.4 24 55 A G S S+ 0 0 8 -2,-0.4 271,-1.7 1,-0.3 2,-0.8 0.501 110.2 18.8-113.3 -96.7 117.2 35.0 78.1 25 56 A F E -g 295 0B 0 269,-0.2 284,-2.5 282,-0.2 285,-2.0 -0.725 67.7-172.3 -86.0 110.7 117.2 33.3 74.7 26 57 A C E -gh 296 310B 0 269,-2.9 271,-2.0 -2,-0.8 2,-0.4 -0.917 4.6-162.1-106.3 120.2 119.6 30.4 74.6 27 58 A A E -gh 297 311B 0 283,-2.7 285,-3.3 -2,-0.6 2,-0.5 -0.854 4.0-159.9-105.3 135.0 120.2 28.8 71.3 28 59 A F E +gh 298 312B 1 269,-2.2 271,-2.3 -2,-0.4 2,-0.2 -0.961 23.8 157.7-114.9 122.1 121.7 25.3 70.8 29 60 A T E + h 0 313B 0 283,-2.0 285,-3.2 -2,-0.5 2,-0.8 -0.663 35.3 57.0-132.0-178.1 123.2 24.5 67.5 30 61 A G E S+ h 0 314B 23 269,-0.3 2,-1.1 283,-0.2 285,-0.2 -0.821 111.7 26.8 98.0-111.3 125.7 22.2 66.0 31 62 A E S > S- 0 0 72 283,-1.3 4,-1.8 -2,-0.8 5,-0.1 -0.816 75.2-176.2 -90.7 96.4 124.8 18.6 66.8 32 63 A T H > S+ 0 0 57 -2,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.858 77.6 52.8 -65.5 -40.3 121.1 19.2 67.2 33 64 A G H > S+ 0 0 53 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.904 111.3 49.1 -62.6 -40.8 120.1 15.7 68.2 34 65 A A H > S+ 0 0 10 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.885 108.8 53.5 -63.3 -39.9 122.7 16.0 71.0 35 66 A G H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.875 104.3 55.0 -62.5 -39.2 121.3 19.3 71.9 36 67 A K H X>S+ 0 0 59 -4,-2.2 4,-2.7 1,-0.2 5,-2.7 0.882 104.2 54.6 -62.1 -39.2 117.8 17.8 72.2 37 68 A S H <>S+ 0 0 14 -4,-1.5 5,-2.9 3,-0.2 -1,-0.2 0.896 112.9 43.2 -62.2 -40.6 119.2 15.3 74.7 38 69 A I H <>S+ 0 0 1 -4,-1.6 5,-0.9 3,-0.2 -2,-0.2 0.940 129.4 24.1 -67.9 -47.7 120.6 18.1 76.8 39 70 A I H <5S+ 0 0 1 -4,-2.8 -3,-0.2 3,-0.2 -2,-0.2 0.849 136.1 22.4 -95.4 -39.3 117.5 20.4 76.7 40 71 A V T X5S+ 0 0 5 -4,-2.7 4,-1.3 -5,-0.3 -3,-0.2 0.901 129.7 37.1 -93.1 -54.3 114.5 18.2 75.9 41 72 A D H >>S+ 0 0 6 -4,-1.3 5,-1.9 1,-0.2 4,-0.3 0.879 97.0 53.5 -59.7 -38.2 112.5 16.2 80.8 45 76 A L H X<5S+ 0 0 3 -3,-1.5 3,-1.3 -4,-0.9 -1,-0.2 0.873 105.2 53.3 -64.0 -39.0 113.7 14.0 83.6 46 77 A L H 3<5S+ 0 0 0 -4,-1.1 -1,-0.2 1,-0.3 55,-0.2 0.794 100.7 62.1 -65.8 -28.2 113.9 16.9 86.0 47 78 A L T 3<5S- 0 0 6 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.594 125.2-103.6 -72.9 -9.9 110.2 17.6 85.2 48 79 A G T < 5 + 0 0 5 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.2 0.739 68.1 162.2 90.1 27.2 109.4 14.2 86.6 49 80 A G < - 0 0 15 -5,-1.9 -1,-0.1 1,-0.2 -4,-0.0 0.065 46.6 -50.7 -67.6-177.6 109.0 12.7 83.2 50 81 A R - 0 0 204 1,-0.1 2,-1.4 2,-0.0 -1,-0.2 -0.087 53.6-114.3 -50.7 153.3 109.0 9.0 82.2 51 82 A A - 0 0 48 -3,-0.1 2,-0.9 32,-0.0 -1,-0.1 -0.589 42.4-175.6 -91.6 71.8 111.8 6.9 83.5 52 83 A N > - 0 0 51 -2,-1.4 3,-1.5 1,-0.2 4,-0.2 -0.590 14.8-171.8 -76.8 104.1 113.2 6.2 80.0 53 84 A H G > S+ 0 0 62 -2,-0.9 3,-1.1 1,-0.3 -1,-0.2 0.604 78.5 77.0 -72.8 -11.0 116.1 3.8 80.4 54 85 A D G 3 S+ 0 0 141 1,-0.2 -1,-0.3 -43,-0.0 -42,-0.1 0.757 84.6 66.9 -65.8 -23.9 117.0 4.3 76.7 55 86 A L G < S+ 0 0 22 -3,-1.5 -43,-1.9 -44,-0.1 -1,-0.2 0.698 76.1 102.2 -71.3 -20.9 118.5 7.6 77.9 56 87 A I B < S-C 11 0A 17 -3,-1.1 -45,-0.2 -45,-0.2 -46,-0.1 -0.484 90.0 -94.5 -68.5 131.0 121.2 5.9 79.9 57 88 A R > - 0 0 9 -47,-2.8 3,-1.7 -2,-0.2 -44,-0.1 -0.012 40.1-104.4 -47.0 149.2 124.6 5.9 78.0 58 89 A S T 3 S+ 0 0 107 -46,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.873 113.0 22.6 -46.2 -60.6 125.3 2.8 75.9 59 90 A G T 3 S+ 0 0 57 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.098 104.4 104.5-103.8 36.6 127.9 1.1 78.1 60 91 A E < - 0 0 69 -3,-1.7 3,-0.1 1,-0.1 -4,-0.0 -0.803 61.4-143.3-120.6 160.4 127.0 2.7 81.4 61 92 A K S S+ 0 0 149 1,-0.3 18,-3.5 -2,-0.3 19,-0.3 0.756 79.7 0.2 -92.7 -28.8 125.2 1.5 84.5 62 93 A E E - D 0 78A 48 16,-0.2 -1,-0.3 17,-0.1 2,-0.3 -0.983 57.1-143.7-163.1 149.9 123.4 4.7 85.5 63 94 A L E - D 0 77A 0 14,-2.1 14,-1.6 -2,-0.3 2,-0.4 -0.763 10.9-159.1-114.1 161.6 122.8 8.3 84.6 64 95 A L E -BD 9 76A 45 -55,-1.8 -55,-2.3 -2,-0.3 2,-0.5 -0.999 5.1-167.9-142.8 136.2 122.4 11.4 86.6 65 96 A V E -BD 8 75A 0 10,-1.9 10,-1.6 -2,-0.4 2,-0.4 -0.936 10.2-179.8-128.4 110.1 120.8 14.8 85.9 66 97 A T E -BD 7 74A 19 -59,-2.6 -59,-3.4 -2,-0.5 2,-0.4 -0.907 3.9-171.2-110.1 135.0 121.4 17.7 88.3 67 98 A G E -BD 6 73A 0 6,-2.7 6,-1.7 -2,-0.4 2,-0.5 -0.982 6.0-158.7-127.0 138.5 119.9 21.2 87.8 68 99 A F E BD 5 72A 67 -63,-2.5 -64,-2.3 -2,-0.4 -63,-1.6 -0.956 360.0 360.0-120.9 127.1 120.6 24.4 89.7 69 100 A W 0 0 37 2,-2.6 -66,-0.2 -2,-0.5 -67,-0.2 -0.626 360.0 360.0-102.0 360.0 118.3 27.4 89.8 70 ! 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 71 109 A D 0 0 114 0, 0.0 -2,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 131.5 117.8 25.3 94.8 72 110 A S E -D 68 0A 24 -4,-0.2 16,-2.3 2,-0.0 2,-0.3 -0.934 360.0-168.8-134.2 158.2 118.6 22.0 93.0 73 111 A A E -DE 67 87A 0 -6,-1.7 -6,-2.7 -2,-0.3 2,-0.3 -0.983 11.4-172.8-140.8 148.7 116.7 19.1 91.6 74 112 A S E -DE 66 86A 11 12,-2.2 12,-2.1 -2,-0.3 2,-0.4 -0.986 15.3-162.3-144.3 156.2 118.1 15.8 90.3 75 113 A R E -DE 65 85A 12 -10,-1.6 -10,-1.9 -2,-0.3 2,-0.5 -0.981 10.4-170.0-138.6 122.2 117.0 12.6 88.6 76 114 A R E -DE 64 84A 71 8,-2.5 8,-1.7 -2,-0.4 2,-0.5 -0.962 2.9-164.7-116.0 126.5 119.0 9.4 88.6 77 115 A L E -DE 63 83A 3 -14,-1.6 -14,-2.1 -2,-0.5 2,-0.4 -0.934 7.5-156.4-110.5 132.8 118.2 6.4 86.4 78 116 A S E > -D 62 0A 16 4,-1.4 3,-1.8 -2,-0.5 -16,-0.2 -0.896 21.1-139.6-112.2 135.7 119.7 3.0 87.2 79 117 A S T 3 S+ 0 0 79 -18,-3.5 -17,-0.1 -2,-0.4 -1,-0.1 0.676 102.2 74.0 -64.1 -12.6 120.2 0.2 84.7 80 118 A A T 3 S- 0 0 93 -19,-0.3 -1,-0.3 1,-0.1 -18,-0.1 0.869 123.0-101.0 -64.1 -37.1 119.2 -2.0 87.5 81 119 A G S < S+ 0 0 54 -3,-1.8 -2,-0.1 1,-0.1 -1,-0.1 0.234 93.6 79.2 129.1 -7.3 115.6 -0.7 87.0 82 120 A R + 0 0 213 -5,-0.0 -4,-1.4 2,-0.0 2,-0.3 0.188 44.8 162.5-103.0-140.9 115.4 1.8 89.8 83 121 A G E -E 77 0A 25 -6,-0.2 2,-0.3 -3,-0.0 -6,-0.2 -0.939 25.3-117.0 149.4-168.9 116.5 5.4 90.3 84 122 A A E -E 76 0A 29 -8,-1.7 -8,-2.5 -2,-0.3 2,-0.3 -0.941 5.1-141.1-166.0 146.5 115.8 8.3 92.6 85 123 A A E -EF 75 92A 2 7,-0.8 7,-1.8 -2,-0.3 2,-0.4 -0.836 21.5-166.9-106.6 149.6 114.6 11.9 92.5 86 124 A R E -EF 74 91A 115 -12,-2.1 -12,-2.2 -2,-0.3 2,-0.5 -0.999 18.0-163.4-138.3 142.5 116.0 14.7 94.7 87 125 A L E > S-EF 73 90A 29 3,-2.1 3,-1.1 -2,-0.4 -14,-0.2 -0.967 87.5 -23.2-120.0 112.0 115.1 18.2 95.7 88 126 A S T 3 S- 0 0 70 -16,-2.3 -1,-0.1 -2,-0.5 -15,-0.1 0.954 130.4 -44.3 48.7 58.8 118.0 20.0 97.1 89 127 A G T 3 S+ 0 0 52 1,-0.2 2,-0.5 -3,-0.1 -1,-0.2 0.474 113.1 120.4 73.6 2.5 119.9 16.9 98.1 90 128 A E E < -F 87 0A 129 -3,-1.1 -3,-2.1 0, 0.0 2,-0.5 -0.887 67.2-125.4-105.6 124.3 116.8 15.2 99.6 91 129 A V E +F 86 0A 92 -2,-0.5 -5,-0.2 -5,-0.2 2,-0.2 -0.525 47.3 163.2 -65.4 110.3 115.5 11.9 98.2 92 130 A V E -F 85 0A 20 -7,-1.8 -7,-0.8 -2,-0.5 2,-0.2 -0.697 39.9 -84.2-118.4 176.9 111.9 12.7 97.4 93 131 A S >> - 0 0 47 -2,-0.2 4,-1.8 -9,-0.1 3,-0.5 -0.511 32.7-117.9 -81.5 155.4 109.2 11.1 95.3 94 132 A V H 3> S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.873 115.2 59.4 -58.9 -37.7 108.8 11.6 91.6 95 133 A R H 3> S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.867 107.4 46.2 -58.8 -36.7 105.4 13.1 92.1 96 134 A E H <> S+ 0 0 65 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.818 108.2 55.3 -76.8 -33.0 107.0 15.8 94.3 97 135 A L H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.908 109.4 49.5 -61.3 -42.4 109.8 16.4 91.8 98 136 A Q H X S+ 0 0 63 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.935 110.4 47.7 -62.0 -50.0 107.0 17.0 89.2 99 137 A E H < S+ 0 0 109 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.847 118.7 41.7 -62.7 -34.3 105.1 19.4 91.4 100 138 A W H >< S+ 0 0 50 -4,-1.9 3,-1.3 1,-0.1 -2,-0.2 0.932 116.9 44.5 -79.0 -48.3 108.3 21.4 92.2 101 139 A A H >X S+ 0 0 0 -4,-3.1 4,-3.5 1,-0.3 3,-1.7 0.759 101.2 68.2 -70.1 -26.4 109.9 21.4 88.8 102 140 A Q T 3< S+ 0 0 69 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.1 0.529 96.9 56.2 -71.4 -4.4 106.6 22.3 87.1 103 141 A G T <4 S+ 0 0 36 -3,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.473 119.3 30.5 -97.4 -6.2 106.9 25.6 88.8 104 142 A R T <4 S+ 0 0 63 -3,-1.7 160,-1.6 1,-0.2 2,-0.3 0.724 117.3 45.4-117.7 -43.5 110.4 26.1 87.2 105 143 A L E < -i 264 0B 2 -4,-3.5 2,-0.3 158,-0.1 -1,-0.2 -0.814 47.0-177.0-113.5 148.2 110.4 24.3 83.8 106 144 A T E -i 265 0B 8 158,-0.5 160,-3.6 -2,-0.3 2,-0.6 -0.914 7.4-170.2-139.2 112.9 108.0 24.1 80.9 107 145 A I E > -i 266 0B 0 -2,-0.3 4,-1.3 4,-0.2 2,-0.3 -0.921 19.6-139.7-103.6 124.6 109.0 21.9 78.0 108 146 A H E 4 S+i 267 0B 1 158,-4.5 2,-1.4 -2,-0.6 160,-0.8 -0.620 73.8 7.8 -97.7 150.1 106.7 22.3 74.9 109 147 A W T >4 S+ 0 0 100 -2,-0.3 3,-1.0 138,-0.1 4,-0.3 -0.748 132.5 50.0 80.9 -75.0 105.4 19.6 72.7 110 148 A Q T 34 S+ 0 0 56 -2,-1.4 -2,-0.2 1,-0.2 -1,-0.1 0.797 128.6 18.7 -62.6 -31.2 106.7 16.9 75.0 111 149 A H T 3< S+ 0 0 43 -4,-1.3 3,-0.5 1,-0.1 -1,-0.2 -0.022 83.0 113.8-133.0 32.3 105.2 18.4 78.2 112 150 A S X>> + 0 0 1 -3,-1.0 5,-2.5 1,-0.2 3,-1.5 0.683 65.2 79.2 -73.6 -17.2 102.5 20.8 77.1 113 151 A A T 345S+ 0 0 65 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.876 99.3 36.2 -59.1 -43.3 100.0 18.4 78.7 114 152 A V T 345S+ 0 0 77 -3,-0.5 -1,-0.3 3,-0.1 -2,-0.1 0.125 123.4 48.3 -98.0 20.4 100.7 19.6 82.3 115 153 A S T <45S- 0 0 6 -3,-1.5 -2,-0.2 -8,-0.1 -3,-0.1 0.573 130.0 -18.7-117.7 -86.6 101.1 23.2 81.1 116 154 A L T <5S+ 0 0 17 -4,-0.7 -3,-0.2 1,-0.1 9,-0.1 0.618 130.1 58.9-105.1 -17.7 98.6 24.8 78.8 117 155 A L S S- 0 0 18 -6,-0.4 4,-2.5 1,-0.1 3,-0.3 -0.392 80.6-117.8 -65.7 149.1 95.8 20.5 80.8 119 157 A P H > S+ 0 0 69 0, 0.0 4,-1.2 0, 0.0 104,-0.2 0.856 115.0 50.6 -58.3 -33.8 92.0 20.7 81.2 120 158 A A H > S+ 0 0 51 1,-0.2 4,-1.4 2,-0.2 -4,-0.0 0.838 113.1 43.5 -73.3 -35.0 92.4 23.1 84.0 121 159 A N H > S+ 0 0 64 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.807 104.9 60.2 -86.5 -31.0 94.7 25.5 82.1 122 160 A Q H X S+ 0 0 18 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.938 112.5 42.3 -54.6 -47.6 92.8 25.5 78.8 123 161 A R H >X S+ 0 0 42 -4,-1.2 4,-2.4 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64.9-149.7-101.0 124.5 118.2 27.8 61.2 302 506 A A H 3> S+ 0 0 2 -2,-0.5 4,-2.4 1,-0.2 -1,-0.1 0.808 96.2 65.7 -60.2 -30.3 120.5 30.7 61.3 303 507 A Q H 34 S+ 0 0 36 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.917 107.9 38.7 -57.7 -44.5 117.6 33.1 61.6 304 508 A I H X4 S+ 0 0 0 -3,-0.7 3,-1.4 1,-0.2 -2,-0.2 0.926 114.8 51.7 -73.7 -46.1 116.7 31.7 65.0 305 509 A A H >< S+ 0 0 0 -4,-2.0 3,-2.2 1,-0.3 -2,-0.2 0.896 101.1 62.5 -57.3 -42.9 120.2 31.3 66.3 306 510 A A T 3< S+ 0 0 4 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.625 99.3 55.5 -62.7 -14.4 121.2 34.9 65.4 307 511 A R T < S+ 0 0 67 -3,-1.4 -1,-0.3 -4,-0.3 -282,-0.2 0.401 82.9 116.7 -99.0 2.0 118.5 36.2 67.9 308 512 A A < - 0 0 7 -3,-2.2 -282,-0.2 -4,-0.2 3,-0.2 -0.364 61.5-146.4 -73.0 147.8 119.9 34.4 70.9 309 513 A H S S+ 0 0 90 -284,-2.5 2,-0.4 1,-0.3 -283,-0.2 0.708 98.1 25.0 -77.8 -23.2 121.2 36.1 74.0 310 514 A H E S-h 26 0B 61 -285,-2.0 -283,-2.7 -5,-0.1 2,-0.7 -0.976 74.0-155.8-144.3 125.7 123.6 33.2 74.2 311 515 A H E -h 27 0B 1 19,-0.4 19,-1.8 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-1,-0.1 -0.894 13.9-148.5-103.2 128.1 130.3 31.3 71.2 331 535 A T - 0 0 113 -2,-0.5 -1,-0.1 1,-0.1 -2,-0.0 0.822 43.7 -91.9 -65.8 -43.8 132.2 34.5 71.7 332 536 A G S > S+ 0 0 32 -21,-0.0 4,-2.4 0, 0.0 5,-0.1 -0.257 119.2 42.4 160.2 -65.7 131.0 36.8 69.1 333 537 A D H > S+ 0 0 134 2,-0.2 4,-1.3 1,-0.2 5,-0.0 0.736 117.5 51.1 -74.0 -29.6 133.2 36.5 66.0 334 538 A E H > S+ 0 0 62 2,-0.2 4,-1.5 1,-0.1 -1,-0.2 0.831 111.3 48.9 -71.3 -36.0 133.2 32.8 66.5 335 539 A R H > S+ 0 0 44 2,-0.2 4,-2.6 1,-0.2 3,-0.3 0.946 106.9 53.5 -67.7 -51.1 129.4 33.1 66.7 336 540 A L H X S+ 0 0 26 -4,-2.4 4,-1.9 1,-0.3 -1,-0.2 0.879 108.4 52.7 -51.1 -40.3 129.2 35.2 63.5 337 541 A E H X S+ 0 0 116 -4,-1.3 4,-2.3 2,-0.2 -1,-0.3 0.904 107.8 50.1 -61.8 -43.2 131.2 32.4 61.9 338 542 A E H X S+ 0 0 8 -4,-1.5 4,-2.1 -3,-0.3 -2,-0.2 0.925 107.1 53.0 -63.0 -46.9 128.7 29.9 63.1 339 543 A I H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.910 110.5 48.6 -55.2 -44.6 125.7 31.8 61.8 340 544 A A H >X>S+ 0 0 0 -4,-1.9 4,-2.6 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46,-0.2 -2,-0.5 22,-0.1 -0.253 124.5 -6.3 51.6-118.9 42.1 23.8 75.2 374 44 B T T 3 S+ 0 0 52 44,-0.1 317,-2.5 316,-0.1 2,-0.6 0.174 116.1 95.6 -93.7 16.9 38.9 22.3 73.7 375 45 B I E < +N 372 0D 0 -3,-2.3 -3,-1.7 315,-0.2 -4,-0.4 -0.934 41.5 175.2-112.9 112.7 38.0 20.4 76.8 376 46 B T E S- 0 0 24 -2,-0.6 -5,-1.8 1,-0.3 2,-0.3 0.936 80.3 -14.4 -75.1 -50.4 35.5 22.1 79.2 377 47 B Q E -N 370 0D 123 314,-0.3 2,-0.4 -7,-0.2 -1,-0.3 -0.943 67.8-179.5-156.9 133.2 35.4 19.0 81.4 378 48 B L E -N 369 0D 11 -9,-2.4 -9,-1.6 -2,-0.3 2,-0.4 -0.998 11.8-175.9-138.4 136.9 36.6 15.5 80.9 379 49 B E E +N 368 0D 118 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.820 22.1 171.4-132.9 94.3 36.5 12.4 83.1 380 50 B L E -N 367 0D 13 -13,-2.4 -13,-2.6 -2,-0.4 2,-0.6 -0.798 24.3-151.1-110.3 144.8 38.2 9.5 81.4 381 51 B E E -N 366 0D 116 -2,-0.3 -15,-0.2 -15,-0.2 2,-0.2 -0.920 15.8-167.1-117.5 107.1 39.1 6.1 82.7 382 52 B L + 0 0 4 -17,-0.7 2,-0.2 -2,-0.6 -19,-0.0 -0.545 16.4 158.5 -88.5 155.6 42.2 4.5 81.1 383 53 B G + 0 0 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393 63 B T H > S+ 0 0 58 -2,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.820 75.5 58.9 -60.3 -33.2 44.1 13.8 67.2 394 64 B G H > S+ 0 0 50 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.944 111.7 39.5 -60.4 -49.4 44.7 17.4 68.1 395 65 B A H >> S+ 0 0 8 1,-0.2 4,-1.1 -3,-0.2 3,-0.9 0.897 110.9 62.0 -63.6 -40.8 42.3 17.2 71.0 396 66 B G H >X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.3 3,-0.5 0.883 104.3 47.1 -52.0 -43.5 43.8 13.7 71.6 397 67 B K H 3X>S+ 0 0 65 -4,-2.4 5,-2.1 1,-0.2 4,-1.1 0.683 100.8 65.3 -73.5 -20.4 47.1 15.2 72.3 398 68 B S H <<>S+ 0 0 13 -3,-0.9 5,-1.2 -4,-0.8 -1,-0.2 0.788 111.9 36.9 -67.3 -28.1 45.7 17.9 74.6 399 69 B I H <<>S+ 0 0 0 -4,-1.1 5,-1.2 -3,-0.5 -2,-0.2 0.917 125.0 34.1 -88.5 -52.9 44.8 15.0 76.9 400 70 B I H <5S+ 0 0 1 -4,-2.1 -3,-0.2 3,-0.2 -2,-0.1 0.921 133.1 18.6 -75.7 -47.0 47.7 12.6 76.6 401 71 B V T X5S+ 0 0 4 -4,-1.1 4,-1.0 -5,-0.2 -3,-0.2 0.895 129.2 38.9 -95.4 -47.0 50.7 14.9 76.0 402 72 B D H >> S+ 0 0 64 -2,-0.4 3,-0.6 1,-0.2 -1,-0.2 0.542 82.6 72.0 -87.7 -5.0 49.4 29.1 80.1 415 85 B D T 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-QR 428 449D 0 -7,-1.6 -7,-2.3 -2,-0.3 2,-0.3 -0.968 6.5-162.7-157.1 138.4 48.3 14.4 91.6 436 112 B S E -QR 427 448D 15 12,-2.5 12,-2.1 -2,-0.3 2,-0.4 -0.905 10.7-168.6-125.1 151.4 47.0 17.8 90.5 437 113 B R E -QR 426 447D 11 -11,-2.1 -11,-2.1 -2,-0.3 2,-0.6 -0.913 11.8-173.8-136.4 111.1 48.2 20.7 88.4 438 114 B R E -QR 425 446D 71 8,-3.4 8,-2.1 -2,-0.4 2,-0.4 -0.926 0.9-172.2-106.8 116.3 46.2 23.9 88.6 439 115 B L E -QR 424 445D 2 -15,-1.7 -15,-3.3 -2,-0.6 2,-0.4 -0.902 6.7-159.1-104.0 135.8 47.1 26.7 86.3 440 116 B S E > -Q 423 0D 11 4,-2.1 3,-2.2 -2,-0.4 -17,-0.3 -0.907 24.6-132.1-113.6 145.0 45.5 30.1 86.7 441 117 B S T 3 S+ 0 0 63 -19,-4.0 -18,-0.1 -2,-0.4 -1,-0.1 0.796 107.1 72.3 -63.8 -28.0 45.2 32.9 84.0 442 118 B A T 3 S- 0 0 89 -20,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.805 121.4-111.0 -49.6 -28.9 46.4 35.2 86.7 443 119 B G S < S+ 0 0 47 -3,-2.2 -2,-0.2 1,-0.3 -1,-0.1 0.370 80.8 122.0 106.6 -6.6 49.7 33.4 86.1 444 120 B R - 0 0 107 -5,-0.0 -4,-2.1 2,-0.0 -1,-0.3 -0.191 42.2-162.1 -76.0 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