==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-OCT-10 3PFN . COMPND 2 MOLECULE: NAD KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.WANG,W.TEMPEL,A.K.WERNIMONT,Y.TONG,X.GUAN,Y.SHEN,Y.LI, . 1292 17 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50003.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 931 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 107 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 310 24.0 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 149 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.6 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 5 4 0 4 1 3 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 8 8 5 3 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 . 4 5 9 13 16 10 0 1 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 . 2 4 0 0 4 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 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 72 A T 0 0 89 0, 0.0 8,-1.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 152.7 25.5 29.6 82.1 2 73 A T E -A 8 0A 75 6,-0.2 2,-0.4 458,-0.0 6,-0.3 -0.499 360.0-157.7 -82.7 153.3 22.7 31.0 79.9 3 74 A F E > -A 7 0A 7 4,-2.6 4,-1.0 1,-0.2 3,-0.4 -0.855 65.3 -37.9-134.2 92.7 21.2 29.0 77.0 4 75 A G T 4 S- 0 0 10 -2,-0.4 -1,-0.2 456,-0.2 433,-0.1 -0.361 101.9 -47.5 81.8-161.7 19.5 31.4 74.6 5 76 A P T 4 S+ 0 0 67 0, 0.0 -1,-0.2 0, 0.0 432,-0.1 0.762 134.3 21.4 -78.7 -24.9 17.6 34.4 75.8 6 77 A K T 4 S+ 0 0 53 -3,-0.4 356,-2.6 431,-0.2 357,-0.6 0.647 105.4 75.6-118.1 -24.3 15.4 32.8 78.5 7 78 A A E < +AB 3 361A 0 -4,-1.0 -4,-2.6 430,-0.3 2,-0.3 -0.520 42.9 154.3 -96.7 163.4 17.0 29.5 79.7 8 79 A C E -AB 2 360A 23 352,-1.8 352,-2.7 -6,-0.3 2,-0.5 -0.935 42.8 -97.8-166.7 172.3 19.9 28.6 82.0 9 80 A V E - B 0 359A 19 -8,-1.4 2,-0.3 -2,-0.3 350,-0.2 -0.935 40.4-113.8-110.0 130.2 21.2 25.8 84.3 10 81 A L - 0 0 57 348,-0.9 2,-1.3 -2,-0.5 348,-0.3 -0.482 20.0-145.0 -64.6 118.1 20.5 26.1 88.0 11 82 A Q + 0 0 105 -2,-0.3 -1,-0.1 346,-0.1 346,-0.0 -0.708 30.4 177.5 -87.6 82.0 23.9 26.5 89.9 12 83 A N >> - 0 0 41 -2,-1.3 3,-1.7 1,-0.1 4,-1.5 -0.723 35.0-133.0 -91.9 136.4 22.9 24.5 93.1 13 84 A P T 34 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.813 107.8 54.8 -58.0 -33.4 25.5 23.9 95.9 14 85 A Q T 34 S+ 0 0 108 1,-0.2 -3,-0.0 338,-0.0 -2,-0.0 0.570 110.6 47.8 -75.2 -10.9 24.6 20.2 96.2 15 86 A T T <4 S+ 0 0 31 -3,-1.7 338,-2.9 2,-0.1 2,-0.3 0.713 90.2 93.8 -98.4 -31.1 25.4 19.8 92.4 16 87 A I E < -C 352 0B 36 -4,-1.5 336,-0.3 336,-0.3 2,-0.3 -0.541 62.6-155.9 -72.1 124.5 28.8 21.7 92.4 17 88 A X E -C 351 0B 59 334,-3.8 334,-1.1 -2,-0.3 2,-0.6 -0.707 10.3-140.1 -97.1 152.6 31.8 19.3 92.7 18 89 A H E +C 350 0B 133 -2,-0.3 2,-0.4 332,-0.2 332,-0.2 -0.811 33.0 168.9-119.1 85.2 35.2 20.4 94.1 19 90 A I E -C 349 0B 67 330,-1.3 330,-3.9 -2,-0.6 2,-0.1 -0.836 35.3-116.9-104.2 138.0 37.9 18.7 92.0 20 91 A Q E -C 348 0B 44 -2,-0.4 328,-0.3 328,-0.3 5,-0.1 -0.452 36.6-105.7 -70.4 139.2 41.7 19.5 92.0 21 92 A D >> - 0 0 56 326,-3.1 3,-1.0 1,-0.2 4,-0.6 -0.562 24.5-150.6 -66.6 119.5 43.1 20.8 88.6 22 93 A P T 34 S+ 0 0 47 0, 0.0 143,-0.2 0, 0.0 3,-0.2 0.725 95.9 53.0 -64.8 -20.8 45.0 17.8 87.1 23 94 A A T 34 S+ 0 0 55 1,-0.2 292,-0.2 324,-0.1 -2,-0.1 0.644 109.3 48.2 -85.6 -18.7 47.4 20.3 85.4 24 95 A S T <4 S+ 0 0 34 -3,-1.0 -1,-0.2 323,-0.2 2,-0.1 0.385 78.2 124.7-105.2 -1.8 48.2 22.2 88.6 25 96 A Q < + 0 0 11 -4,-0.6 138,-1.8 138,-0.2 2,-0.3 -0.361 33.9 179.8 -69.2 137.1 49.1 19.4 91.0 26 97 A R B -D 162 0C 127 136,-0.3 316,-0.8 316,-0.2 136,-0.3 -0.970 27.2-109.5-135.5 151.6 52.5 19.5 92.8 27 98 A L E -E 341 0D 7 134,-3.7 2,-0.4 -2,-0.3 314,-0.2 -0.560 27.5-169.6 -85.9 141.8 54.3 17.2 95.4 28 99 A T E -E 340 0D 36 312,-2.8 312,-1.8 -2,-0.2 2,-0.6 -1.000 14.0-146.0-132.2 131.9 54.8 18.2 99.1 29 100 A W E -E 339 0D 34 -2,-0.4 310,-0.3 130,-0.3 3,-0.1 -0.902 7.1-169.7 -98.5 115.6 57.0 16.3 101.7 30 101 A N S S+ 0 0 90 308,-3.3 2,-0.3 -2,-0.6 -1,-0.2 0.782 87.3 10.6 -70.5 -29.3 55.5 16.6 105.2 31 102 A K S S- 0 0 49 307,-0.9 -1,-0.2 -3,-0.1 -3,-0.0 -0.958 100.3 -91.3-143.5 149.9 58.9 15.1 106.3 32 103 A S - 0 0 87 -2,-0.3 126,-0.1 -3,-0.1 2,-0.0 -0.436 50.9-106.4 -63.3 134.3 62.1 14.5 104.3 33 104 A P + 0 0 8 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.373 41.8 169.0 -66.2 142.3 62.2 11.0 102.6 34 105 A K + 0 0 47 1,-0.2 30,-1.7 29,-0.1 2,-0.6 0.618 60.3 59.1-120.7 -35.3 64.6 8.4 104.1 35 106 A S E -g 64 0E 9 28,-0.2 70,-2.0 68,-0.1 71,-1.6 -0.912 62.4-172.6-110.1 122.4 63.6 5.1 102.5 36 107 A V E -gh 65 106E 0 28,-2.7 30,-3.0 -2,-0.6 2,-0.5 -0.912 14.0-148.9-112.7 135.8 63.8 4.7 98.7 37 108 A L E -gh 66 107E 1 69,-2.4 71,-3.1 -2,-0.4 2,-0.5 -0.916 13.7-157.9-100.5 125.2 62.5 1.7 96.7 38 109 A V E - h 0 108E 4 28,-2.6 2,-0.4 -2,-0.5 30,-0.4 -0.918 9.9-175.4-108.6 123.7 64.6 1.1 93.6 39 110 A I E - h 0 109E 10 69,-2.3 71,-3.4 -2,-0.5 2,-0.4 -0.985 3.8-172.5-117.1 127.2 62.9 -0.9 90.8 40 111 A K E - h 0 110E 33 -2,-0.4 71,-0.2 69,-0.2 2,-0.0 -0.962 33.4 -98.8-125.4 143.6 64.8 -1.8 87.6 41 112 A K > - 0 0 58 69,-2.0 3,-0.6 -2,-0.4 6,-0.1 -0.340 45.6-118.5 -57.2 127.3 63.6 -3.4 84.4 42 113 A X T 3 S+ 0 0 87 1,-0.2 -1,-0.1 -2,-0.0 72,-0.1 -0.448 88.9 16.3 -71.1 144.3 64.4 -7.2 84.4 43 114 A R T 3 S+ 0 0 116 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.819 91.0 122.5 60.5 41.3 66.7 -8.8 81.8 44 115 A D X - 0 0 43 -3,-0.6 3,-0.8 1,-0.1 -1,-0.2 -0.938 39.2-174.3-134.3 104.7 68.3 -5.4 80.7 45 116 A A G > S+ 0 0 76 -2,-0.4 3,-1.2 1,-0.2 4,-0.4 0.692 78.7 72.4 -70.0 -25.7 72.1 -5.2 81.0 46 117 A S G 3 S+ 0 0 85 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.693 94.0 55.7 -63.4 -23.8 72.1 -1.4 80.0 47 118 A L G <> S+ 0 0 1 -3,-0.8 4,-2.4 -6,-0.1 -1,-0.2 0.485 83.7 86.4 -88.3 -7.7 70.6 -0.5 83.4 48 119 A L H <> S+ 0 0 32 -3,-1.2 4,-2.3 2,-0.2 5,-0.2 0.947 92.3 41.0 -61.8 -53.9 73.3 -2.2 85.5 49 120 A Q H > S+ 0 0 56 -4,-0.4 4,-2.7 1,-0.2 5,-0.2 0.961 117.0 49.0 -62.1 -50.1 75.8 0.7 85.6 50 121 A P H > S+ 0 0 17 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.871 111.1 52.0 -55.3 -38.1 73.0 3.3 86.2 51 122 A F H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.945 112.1 44.1 -61.4 -51.5 71.6 1.1 89.0 52 123 A K H X S+ 0 0 39 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.925 115.3 49.4 -58.2 -47.6 74.9 0.9 90.8 53 124 A E H X S+ 0 0 105 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.913 113.4 45.7 -58.3 -49.2 75.5 4.7 90.3 54 125 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.886 113.5 48.2 -62.8 -44.9 72.1 5.6 91.6 55 126 A C H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.828 110.3 51.6 -72.9 -27.9 72.2 3.3 94.7 56 127 A T H X S+ 0 0 49 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.924 112.8 47.1 -69.2 -43.7 75.7 4.5 95.6 57 128 A H H X S+ 0 0 25 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.911 110.1 50.7 -63.2 -48.7 74.4 8.1 95.5 58 129 A L H < S+ 0 0 0 -4,-2.4 5,-0.5 1,-0.2 -1,-0.2 0.866 113.5 45.6 -59.9 -39.4 71.2 7.5 97.5 59 130 A X H >< S+ 0 0 11 -4,-1.6 3,-1.6 1,-0.2 -1,-0.2 0.857 108.6 55.1 -72.7 -36.0 73.3 5.8 100.3 60 131 A E H 3< S+ 0 0 143 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.715 103.3 57.8 -67.0 -21.1 75.9 8.6 100.2 61 132 A E T 3< S- 0 0 108 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.110 126.4-107.0 -94.6 19.8 72.9 10.9 100.8 62 133 A N S < S+ 0 0 140 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.954 72.4 138.9 50.1 66.4 72.2 8.8 104.0 63 134 A X - 0 0 20 -5,-0.5 2,-0.5 -4,-0.2 -28,-0.2 -1.000 57.0-117.8-139.6 139.0 69.1 6.9 102.8 64 135 A I E -g 35 0E 78 -30,-1.7 -28,-2.7 -2,-0.3 2,-0.5 -0.635 31.3-155.6 -76.5 118.6 67.9 3.3 103.2 65 136 A V E -g 36 0E 0 -2,-0.5 26,-2.0 24,-0.3 2,-0.4 -0.912 5.2-159.6-104.4 123.4 67.7 1.7 99.7 66 137 A Y E +gi 37 91E 33 -30,-3.0 -28,-2.6 -2,-0.5 2,-0.3 -0.820 15.6 167.2-104.1 137.5 65.3 -1.2 99.2 67 138 A V E - i 0 92E 0 24,-1.4 26,-1.1 -2,-0.4 2,-0.1 -0.977 42.9 -97.4-142.7 152.1 65.5 -3.8 96.3 68 139 A E E >> - i 0 93E 39 -30,-0.4 3,-1.4 -2,-0.3 4,-0.7 -0.459 39.2-117.5 -67.5 139.9 63.9 -7.1 95.6 69 140 A K H >> S+ 0 0 24 24,-2.3 3,-0.7 1,-0.2 4,-0.7 0.844 111.6 60.9 -46.7 -43.2 66.3 -10.0 96.7 70 141 A K H 3> S+ 0 0 50 1,-0.2 4,-0.8 2,-0.2 3,-0.3 0.748 93.6 64.5 -59.6 -30.8 66.5 -11.4 93.1 71 142 A V H X4 S+ 0 0 26 -3,-1.4 3,-0.5 1,-0.2 -1,-0.2 0.889 106.1 42.6 -60.8 -42.8 68.0 -8.0 91.8 72 143 A L H << S+ 0 0 32 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.624 103.9 67.5 -79.6 -16.3 71.2 -8.6 93.9 73 144 A E H 3< S+ 0 0 146 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.713 73.8 111.9 -74.5 -25.0 71.3 -12.3 93.0 74 145 A D S XX S- 0 0 50 -4,-0.8 4,-2.8 -3,-0.5 3,-1.5 -0.280 74.4-131.9 -51.9 126.0 72.2 -11.3 89.3 75 146 A P H 3> S+ 0 0 95 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.772 105.9 62.9 -55.6 -26.9 75.8 -12.4 88.5 76 147 A A H 3> S+ 0 0 30 2,-0.2 4,-0.5 1,-0.2 -4,-0.1 0.827 115.4 31.6 -64.5 -34.6 76.5 -8.9 87.1 77 148 A I H <4 S+ 0 0 5 -3,-1.5 -1,-0.2 -6,-0.2 3,-0.2 0.881 120.1 52.8 -85.6 -48.5 75.8 -7.4 90.6 78 149 A A H < S+ 0 0 72 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.1 0.828 111.0 45.7 -58.0 -42.4 77.1 -10.4 92.6 79 150 A S H < S+ 0 0 95 -4,-2.6 2,-0.6 -5,-0.2 -1,-0.2 0.812 85.4 100.7 -73.9 -36.4 80.6 -10.6 90.8 80 151 A D < - 0 0 54 -4,-0.5 4,-0.3 -5,-0.3 3,-0.2 -0.407 51.5-170.8 -60.4 103.9 81.4 -6.8 90.9 81 152 A E S > S+ 0 0 92 -2,-0.6 3,-0.9 1,-0.2 4,-0.3 0.827 82.2 57.8 -66.4 -36.6 83.8 -6.5 93.9 82 153 A S T > S+ 0 0 100 1,-0.2 3,-0.5 2,-0.1 4,-0.3 0.851 105.8 50.2 -62.7 -37.3 83.7 -2.6 93.9 83 154 A F T 3> S+ 0 0 8 -3,-0.2 4,-3.1 1,-0.2 3,-0.3 0.488 84.7 94.8 -80.4 -6.0 79.9 -2.7 94.4 84 155 A G H <> S+ 0 0 33 -3,-0.9 4,-1.8 -4,-0.3 -1,-0.2 0.858 78.9 55.0 -52.8 -45.1 80.2 -5.1 97.4 85 156 A A H <> S+ 0 0 79 -3,-0.5 4,-0.5 -4,-0.3 -1,-0.2 0.887 115.3 38.8 -57.8 -45.3 80.2 -2.3 100.0 86 157 A V H >> S+ 0 0 19 -3,-0.3 3,-1.9 -4,-0.3 4,-0.6 0.941 110.2 60.4 -70.5 -49.2 76.9 -0.9 98.7 87 158 A K H >< S+ 0 0 32 -4,-3.1 3,-0.6 1,-0.3 -2,-0.2 0.794 105.0 50.2 -48.2 -36.7 75.4 -4.5 98.0 88 159 A K H 3< S+ 0 0 87 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.703 104.7 58.1 -76.1 -23.4 75.8 -5.2 101.8 89 160 A K H << S+ 0 0 134 -3,-1.9 -24,-0.3 -4,-0.5 -1,-0.2 0.515 84.3 106.1 -87.6 -6.8 74.0 -2.0 102.8 90 161 A F << - 0 0 19 -4,-0.6 2,-0.7 -3,-0.6 -24,-0.2 -0.427 66.3-135.1 -72.9 151.6 70.7 -2.8 100.9 91 162 A C E -i 66 0E 49 -26,-2.0 -24,-1.4 -2,-0.1 2,-0.2 -0.920 28.8-159.1-103.8 107.7 67.4 -3.8 102.6 92 163 A T E -i 67 0E 77 -2,-0.7 2,-0.3 -26,-0.2 -24,-0.2 -0.615 11.1-172.4 -92.1 151.4 66.1 -6.7 100.6 93 164 A F E -i 68 0E 5 -26,-1.1 -24,-2.3 -2,-0.2 2,-0.5 -0.940 25.7-118.8-135.2 156.9 62.5 -7.9 100.5 94 165 A R >> - 0 0 136 -2,-0.3 4,-2.9 -26,-0.2 3,-0.7 -0.911 24.1-135.1-103.9 118.8 60.9 -11.0 98.9 95 166 A E T 34 S+ 0 0 48 -2,-0.5 -1,-0.1 1,-0.2 -27,-0.0 0.820 97.3 26.4 -38.1 -62.2 58.2 -10.1 96.2 96 167 A D T 34 S+ 0 0 111 1,-0.1 -1,-0.2 3,-0.0 3,-0.0 0.585 128.3 42.7 -90.0 -6.9 55.4 -12.4 97.1 97 168 A Y T <4 S+ 0 0 178 -3,-0.7 2,-0.3 1,-0.1 -2,-0.2 0.810 100.8 64.2-105.4 -44.6 56.2 -12.9 100.8 98 169 A D < - 0 0 45 -4,-2.9 2,-0.6 2,-0.0 -1,-0.1 -0.713 63.1-147.9 -93.4 139.8 57.1 -9.5 102.3 99 170 A D + 0 0 111 -2,-0.3 3,-0.2 1,-0.1 -4,-0.1 -0.924 24.4 165.2-104.5 106.6 54.8 -6.4 102.5 100 171 A I >> + 0 0 4 -2,-0.6 3,-2.4 22,-0.2 4,-1.0 0.347 39.5 116.8-102.3 3.5 56.9 -3.2 102.2 101 172 A S T 34 S+ 0 0 24 1,-0.3 -1,-0.1 21,-0.3 24,-0.1 0.657 83.3 33.8 -41.8 -37.3 53.7 -1.0 101.6 102 173 A N T 34 S+ 0 0 142 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.265 110.1 65.3-110.6 9.4 54.3 1.2 104.7 103 174 A Q T <4 S+ 0 0 93 -3,-2.4 2,-0.4 233,-0.0 -2,-0.2 0.655 83.0 84.5-102.7 -23.3 58.1 1.2 104.8 104 175 A I < + 0 0 0 -4,-1.0 -68,-0.2 1,-0.1 3,-0.1 -0.756 42.3 177.2 -94.8 127.0 58.8 3.1 101.5 105 176 A D S S+ 0 0 9 -70,-2.0 2,-0.3 -2,-0.4 233,-0.2 0.768 74.8 11.8 -90.5 -33.3 58.8 7.0 101.4 106 177 A F E -h 36 0E 0 -71,-1.6 -69,-2.4 22,-0.2 2,-0.4 -0.995 64.3-143.5-152.9 139.5 59.8 7.3 97.7 107 178 A I E -hj 37 130E 0 22,-3.0 24,-3.1 -2,-0.3 2,-0.4 -0.921 9.7-171.0-112.4 135.2 60.0 5.1 94.6 108 179 A I E -hj 38 131E 0 -71,-3.1 -69,-2.3 -2,-0.4 2,-0.4 -0.995 9.2-160.7-120.8 125.5 62.7 5.4 91.8 109 180 A C E -hj 39 132E 0 22,-2.3 24,-2.7 -2,-0.4 2,-0.6 -0.918 4.9-154.6-107.4 134.6 62.2 3.3 88.7 110 181 A L E -hj 40 133E 0 -71,-3.4 -69,-2.0 -2,-0.4 24,-0.1 -0.955 67.6 -4.6-111.2 113.7 65.1 2.5 86.3 111 182 A G S S- 0 0 2 22,-1.7 22,-0.2 -2,-0.6 23,-0.1 -0.002 82.5 -98.1 87.2 166.4 63.8 1.8 82.8 112 183 A G S > S+ 0 0 19 25,-0.1 3,-1.1 3,-0.1 2,-0.1 0.251 74.9 65.9 -94.9-143.1 60.3 1.6 81.5 113 184 A D T > S+ 0 0 77 1,-0.2 3,-0.8 2,-0.1 4,-0.4 -0.376 113.3 4.5 63.3-124.8 57.7 -1.1 80.8 114 185 A G T 3> S+ 0 0 34 1,-0.2 4,-2.3 2,-0.1 -1,-0.2 0.387 102.1 97.0 -72.9 -0.0 56.6 -3.1 83.8 115 186 A T H <> S+ 0 0 5 -3,-1.1 4,-1.8 1,-0.2 -1,-0.2 0.868 90.0 41.7 -59.1 -40.9 58.5 -1.1 86.5 116 187 A L H <> S+ 0 0 0 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.806 113.1 54.1 -76.6 -30.5 55.4 1.1 87.3 117 188 A L H > S+ 0 0 32 -4,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.878 109.8 48.4 -64.1 -43.7 53.1 -1.9 87.2 118 189 A Y H X S+ 0 0 39 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.897 111.1 49.3 -67.8 -40.3 55.4 -3.6 89.7 119 190 A A H X S+ 0 0 0 -4,-1.8 4,-1.2 1,-0.2 3,-0.5 0.950 110.4 51.6 -62.4 -48.6 55.4 -0.5 91.9 120 191 A S H < S+ 0 0 0 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.851 107.2 53.0 -56.0 -40.8 51.5 -0.4 91.7 121 192 A S H < S+ 0 0 38 -4,-1.9 -1,-0.2 1,-0.2 3,-0.2 0.823 108.0 51.0 -67.9 -31.1 51.3 -4.1 92.8 122 193 A L H < S+ 0 0 19 -4,-1.4 2,-0.6 -3,-0.5 -21,-0.3 0.735 110.1 52.6 -75.3 -24.9 53.5 -3.5 95.8 123 194 A F < + 0 0 0 -4,-1.2 -1,-0.2 -3,-0.4 -24,-0.0 -0.818 56.4 161.7-120.1 87.5 51.2 -0.5 96.9 124 195 A Q S S+ 0 0 70 -2,-0.6 -1,-0.1 -3,-0.2 2,-0.1 0.416 76.6 30.4 -86.7 0.0 47.6 -1.7 97.1 125 196 A G S S- 0 0 25 1,-0.4 -2,-0.1 -3,-0.1 179,-0.0 -0.093 125.6 -2.1-120.9-134.7 46.7 1.3 99.2 126 197 A S S S- 0 0 33 -2,-0.1 -1,-0.4 1,-0.1 209,-0.1 -0.303 72.2-141.9 -60.7 136.8 48.4 4.8 99.2 127 198 A V - 0 0 0 178,-0.4 3,-0.1 207,-0.3 -1,-0.1 -0.932 9.2-128.9-108.1 126.6 51.3 4.9 96.7 128 199 A P - 0 0 0 0, 0.0 208,-0.2 0, 0.0 -22,-0.2 -0.239 48.3 -75.0 -63.7 158.8 54.5 6.8 97.5 129 200 A P - 0 0 1 0, 0.0 -22,-3.0 0, 0.0 2,-0.5 -0.286 48.9-140.7 -58.1 140.5 55.7 9.3 94.8 130 201 A V E -jk 107 308E 0 177,-2.9 179,-3.1 -24,-0.2 2,-0.7 -0.928 15.4-170.2-112.1 121.5 57.3 7.6 91.7 131 202 A X E -j 108 0E 0 -24,-3.1 -22,-2.3 -2,-0.5 2,-0.5 -0.940 16.6-167.5-107.8 105.1 60.4 9.1 90.0 132 203 A A E -j 109 0E 1 -2,-0.7 12,-2.1 177,-0.4 2,-0.3 -0.866 3.6-161.9-104.9 129.9 60.8 7.1 86.7 133 204 A F E -jl 110 144E 0 -24,-2.7 -22,-1.7 -2,-0.5 2,-0.3 -0.831 5.2-150.2-106.5 145.0 64.0 7.3 84.6 134 205 A H E + l 0 145E 33 10,-2.8 12,-0.8 -2,-0.3 4,-0.1 -0.870 20.6 167.3-110.7 145.3 64.4 6.3 80.9 135 206 A L S S+ 0 0 53 -2,-0.3 -1,-0.1 2,-0.3 3,-0.1 0.656 77.9 28.7-119.3 -49.4 67.7 5.0 79.5 136 207 A G S S- 0 0 78 1,-0.3 2,-0.3 2,-0.0 -2,-0.1 0.940 127.7 -5.1 -74.9 -97.1 66.8 3.6 76.1 137 208 A S S S- 0 0 100 1,-0.1 -2,-0.3 0, 0.0 -1,-0.3 -0.719 70.5-112.6-104.0 156.9 63.7 5.3 74.6 138 209 A L > + 0 0 41 -2,-0.3 4,-0.7 -4,-0.1 183,-0.1 0.814 49.6 178.0 -53.9 -42.7 61.5 8.1 76.3 139 210 A G T 4 - 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0 0 24 -5,-0.5 2,-0.5 -4,-0.2 -28,-0.2 -1.000 58.1-117.8-141.3 138.8 3.9 29.9 70.6 396 135 B I E -f 367 0J 42 -30,-1.9 -28,-2.4 -2,-0.3 2,-0.6 -0.634 31.7-155.8 -76.2 115.2 5.7 31.4 67.6 397 136 B V E -f 368 0J 0 -2,-0.5 26,-2.1 24,-0.3 2,-0.3 -0.903 6.3-159.4 -99.7 118.7 7.1 28.4 65.6 398 137 B Y E +fh 369 423J 32 -30,-2.9 -28,-2.4 -2,-0.6 2,-0.3 -0.742 15.8 167.5 -96.5 144.8 10.2 29.2 63.4 399 138 B V E - h 0 424J 0 24,-1.7 26,-1.2 -2,-0.3 2,-0.2 -0.955 44.0 -94.9-148.0 155.0 11.3 27.2 60.4 400 139 B E E >> - h 0 425J 41 -30,-0.3 3,-1.8 -2,-0.3 4,-0.7 -0.561 40.2-118.6 -71.8 136.3 13.9 27.8 57.5 401 140 B K H >> S+ 0 0 28 24,-2.5 4,-0.8 1,-0.3 3,-0.7 0.813 111.8 62.2 -43.4 -42.6 11.9 29.2 54.4 402 141 B K H 3> S+ 0 0 46 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.736 92.4 64.6 -59.0 -30.8 13.0 26.1 52.3 403 142 B V H X4 S+ 0 0 35 -3,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.894 106.6 42.2 -60.3 -43.5 11.1 23.7 54.6 404 143 B L H << S+ 0 0 24 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.648 105.3 65.4 -78.5 -18.5 7.7 25.3 53.7 405 144 B E H 3< S+ 0 0 144 -4,-0.8 -1,-0.2 -3,-0.1 -2,-0.2 0.728 75.7 110.4 -73.8 -26.8 8.8 25.4 50.0 406 145 B D S XX S- 0 0 61 -4,-0.9 4,-2.9 -3,-0.5 3,-1.4 -0.266 74.8-132.1 -52.4 126.8 8.8 21.6 49.8 407 146 B P H 3> S+ 0 0 99 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.771 106.0 63.6 -56.0 -26.4 5.9 20.3 47.6 408 147 B A H 34 S+ 0 0 58 2,-0.2 4,-0.4 1,-0.2 -4,-0.1 0.843 115.7 30.7 -63.7 -35.8 5.0 17.7 50.4 409 148 B I H <4 S+ 0 0 14 -3,-1.4 3,-0.3 -6,-0.2 6,-0.2 0.883 120.5 52.7 -86.3 -47.2 4.2 20.7 52.7 410 149 B A H < S+ 0 0 60 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.1 0.804 108.1 49.9 -59.4 -40.9 3.0 23.2 49.9 411 150 B S S < S+ 0 0 87 -4,-2.5 2,-0.6 -5,-0.2 -1,-0.2 0.781 85.8 97.4 -72.7 -30.4 0.4 20.7 48.4 412 151 B D - 0 0 39 -4,-0.4 4,-0.1 -3,-0.3 3,-0.0 -0.514 52.8-174.1 -65.7 106.8 -1.2 19.9 51.8 413 152 B E S > S+ 0 0 94 -2,-0.6 3,-1.2 1,-0.2 4,-0.3 0.797 79.4 60.9 -73.2 -32.8 -4.2 22.2 51.9 414 153 B S T > S+ 0 0 116 1,-0.2 3,-0.6 2,-0.1 4,-0.3 0.855 101.0 53.9 -60.5 -39.9 -5.1 21.3 55.5 415 154 B F T 3> S+ 0 0 16 1,-0.2 4,-3.6 -6,-0.2 -1,-0.2 0.440 83.2 95.6 -76.9 -1.9 -1.7 22.6 56.8 416 155 B G H <> S+ 0 0 31 -3,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.893 79.7 51.1 -55.3 -51.2 -2.4 26.0 55.1 417 156 B A H <> S+ 0 0 89 -3,-0.6 4,-0.5 -4,-0.3 -1,-0.2 0.897 118.6 39.4 -54.2 -45.6 -3.8 27.7 58.3 418 157 B V H >> S+ 0 0 15 -4,-0.3 3,-1.4 1,-0.2 4,-0.5 0.928 110.4 59.6 -70.6 -47.0 -0.7 26.5 60.2 419 158 B K H >< S+ 0 0 40 -4,-3.6 3,-0.6 1,-0.3 -2,-0.2 0.775 104.6 51.1 -50.7 -37.2 1.7 27.2 57.2 420 159 B K H 3< S+ 0 0 89 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.714 104.3 57.9 -75.3 -24.1 0.7 30.9 57.3 421 160 B K H << S+ 0 0 59 -3,-1.4 -24,-0.3 -4,-0.5 -1,-0.2 0.501 83.5 106.0 -87.4 -6.3 1.4 31.3 61.0 422 161 B F << - 0 0 18 -3,-0.6 2,-0.6 -4,-0.5 -24,-0.2 -0.428 68.3-132.5 -72.3 150.0 5.1 30.2 60.9 423 162 B C E -h 398 0J 47 -26,-2.1 -24,-1.7 -2,-0.1 2,-0.3 -0.911 29.7-157.8 -99.0 116.5 8.0 32.8 61.2 424 163 B T E -h 399 0J 78 -2,-0.6 2,-0.3 -26,-0.2 -24,-0.2 -0.775 12.6-174.4-100.6 148.0 10.3 32.0 58.4 425 164 B F E -h 400 0J 6 -26,-1.2 -24,-2.5 -2,-0.3 2,-0.5 -0.916 26.6-119.6-131.7 156.6 14.0 32.9 58.2 426 165 B R >> - 0 0 26 -2,-0.3 4,-3.0 -26,-0.2 3,-0.9 -0.917 19.7-140.2-104.2 118.9 16.6 32.6 55.4 427 166 B E T 34 S+ 0 0 50 -2,-0.5 -1,-0.1 1,-0.2 -27,-0.0 0.848 98.6 33.4 -41.0 -55.7 19.6 30.3 56.4 428 167 B D T 34 S+ 0 0 92 1,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.526 127.9 36.0 -86.8 -11.9 22.4 32.4 54.8 429 168 B Y T <4 S+ 0 0 207 -3,-0.9 2,-0.3 1,-0.1 -2,-0.2 0.750 102.7 68.0-111.3 -36.4 20.8 35.9 55.3 430 169 B D < - 0 0 83 -4,-3.0 2,-0.6 2,-0.0 -1,-0.1 -0.775 58.5-151.4-101.3 138.2 19.0 36.0 58.7 431 170 B D + 0 0 112 -2,-0.3 3,-0.2 1,-0.1 24,-0.1 -0.925 22.7 165.1-105.3 105.7 20.5 35.8 62.2 432 171 B I >> + 0 0 5 -2,-0.6 3,-2.3 22,-0.2 4,-1.1 0.320 38.4 118.4-102.0 3.7 17.9 34.2 64.6 433 172 B S T 34 S+ 0 0 22 1,-0.3 -1,-0.1 21,-0.3 24,-0.1 0.670 83.6 32.4 -41.8 -37.4 20.5 33.6 67.4 434 173 B N T 34 S+ 0 0 136 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.294 110.8 65.5-111.8 10.8 18.7 35.8 70.0 435 174 B Q T <4 S+ 0 0 95 -3,-2.3 2,-0.4 -431,-0.0 -2,-0.2 0.639 82.7 85.1-102.6 -22.4 15.1 35.2 68.8 436 175 B I < - 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