==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-DEC-04 1YBE . COMPND 2 MOLECULE: NICOTINATE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR J.SEETHARAMAN,S.SWAMINATHAN,S.K.BURLEY,NEW YORK SGX . 832 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35368.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 559 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 6.2 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 . 6 0.7 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 . 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 . 43 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 300 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 5 1 5 2 2 3 0 6 1 2 2 2 0 2 1 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 4 2 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 . 5 4 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 2 0 2 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 8 A M >> 0 0 85 0, 0.0 4,-0.9 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0-106.8 176.9 1.4 -13.6 2 9 A T H 3> + 0 0 16 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.793 360.0 64.4 -68.2 -28.9 175.2 4.7 -12.5 3 10 A K H 3> S+ 0 0 6 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.783 100.4 54.1 -65.0 -25.8 178.5 6.2 -11.5 4 11 A T H <> S+ 0 0 85 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.860 106.0 50.9 -76.3 -36.6 179.6 6.0 -15.1 5 12 A D H < S+ 0 0 64 -4,-0.9 4,-0.3 2,-0.2 -2,-0.2 0.935 104.1 55.4 -66.1 -50.2 176.5 7.9 -16.4 6 13 A I H >< S+ 0 0 43 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.918 113.2 44.1 -49.0 -47.5 176.8 10.9 -14.1 7 14 A A H 3< S+ 0 0 47 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.947 107.2 58.2 -63.2 -49.5 180.4 11.3 -15.3 8 15 A T T 3< 0 0 104 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.398 360.0 360.0 -64.5 6.4 179.4 10.8 -19.0 9 16 A R < 0 0 167 -3,-1.2 5,-0.0 -4,-0.3 0, 0.0 -0.870 360.0 360.0-122.0 360.0 177.0 13.8 -18.6 10 ! 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 11 22 A W 0 0 163 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 152.9 176.3 17.2 -25.7 12 23 A K - 0 0 99 1,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.396 360.0 -57.8-115.9-168.0 172.5 17.4 -25.4 13 24 A L - 0 0 74 -2,-0.1 -1,-0.1 1,-0.1 0, 0.0 -0.539 38.0-149.2 -76.1 140.5 169.8 17.8 -22.8 14 25 A D - 0 0 29 -2,-0.2 2,-0.1 -3,-0.1 -1,-0.1 -0.795 21.6-147.8-113.8 83.9 169.7 15.2 -20.1 15 26 A P - 0 0 33 0, 0.0 53,-0.1 0, 0.0 3,-0.0 -0.308 12.0-160.1 -58.0 122.7 165.9 15.1 -19.2 16 27 A I S S+ 0 0 0 1,-0.2 2,-0.9 -2,-0.1 182,-0.2 0.880 79.1 62.6 -71.2 -42.0 165.1 14.2 -15.6 17 28 A V - 0 0 3 1,-0.2 -1,-0.2 51,-0.2 3,-0.1 -0.790 63.2-173.3 -96.3 108.2 161.5 13.2 -16.2 18 29 A R - 0 0 87 -2,-0.9 2,-0.3 1,-0.1 -1,-0.2 0.958 62.0 -11.5 -60.0 -61.1 161.4 10.1 -18.5 19 30 A S > - 0 0 14 56,-0.1 3,-1.8 1,-0.0 -1,-0.1 -0.874 69.2 -96.1-140.7 174.8 157.7 9.8 -19.1 20 31 A L T 3 S+ 0 0 15 56,-0.3 57,-0.1 1,-0.3 -2,-0.0 0.692 122.5 52.5 -65.6 -20.3 154.3 11.0 -18.0 21 32 A I T 3 S+ 0 0 2 1,-0.1 2,-2.0 201,-0.1 202,-1.4 0.186 72.8 109.2-102.1 16.4 153.9 8.0 -15.8 22 33 A D < + 0 0 2 -3,-1.8 2,-0.3 200,-0.2 -1,-0.1 -0.563 68.5 85.1 -86.6 69.7 157.2 8.6 -14.0 23 34 A T S S- 0 0 2 -2,-2.0 199,-2.0 197,-0.1 200,-0.3 -0.863 90.2 -65.2-153.4-177.2 155.2 9.5 -11.0 24 35 A D B >> -A 221 0A 0 -2,-0.3 3,-1.1 197,-0.2 4,-0.6 -0.615 37.7-128.2 -85.0 143.1 153.4 8.0 -8.0 25 36 A F H >> S+ 0 0 0 195,-2.7 4,-1.6 208,-0.5 3,-1.1 0.820 104.7 64.7 -56.8 -35.9 150.5 5.7 -8.5 26 37 A Y H 3> S+ 0 0 12 207,-0.4 4,-2.3 1,-0.3 -1,-0.3 0.840 95.1 61.2 -60.2 -32.1 148.2 7.6 -6.1 27 38 A K H <> S+ 0 0 0 -3,-1.1 4,-1.8 1,-0.2 -1,-0.3 0.815 103.5 49.3 -64.1 -31.6 148.4 10.6 -8.4 28 39 A L H < + 0 0 38 -4,-2.1 3,-1.3 -5,-0.4 93,-0.3 -0.153 63.7 140.9-136.8 44.7 135.4 17.4 -9.9 39 50 A P T 3 S+ 0 0 45 0, 0.0 92,-0.1 0, 0.0 -1,-0.1 0.659 76.1 52.8 -61.9 -15.6 136.3 18.4 -13.5 40 51 A E T 3 S+ 0 0 131 -6,-0.1 2,-0.1 -3,-0.1 -5,-0.1 0.590 85.1 105.9 -97.0 -11.4 135.2 22.1 -12.9 41 52 A V < - 0 0 11 -3,-1.3 89,-2.9 -7,-0.2 90,-0.5 -0.395 58.0-146.6 -72.7 142.1 137.3 22.7 -9.8 42 53 A D B +B 129 0B 63 87,-0.3 344,-2.0 88,-0.1 2,-0.3 -0.858 18.6 178.8-106.1 144.7 140.4 24.8 -9.9 43 54 A A E -C 385 0C 0 85,-2.5 2,-0.3 -2,-0.4 342,-0.2 -0.970 17.1-147.6-150.9 131.2 143.4 24.1 -7.7 44 55 A T E -C 384 0C 12 340,-1.7 339,-2.2 -2,-0.3 340,-0.8 -0.743 9.0-159.0 -96.3 143.5 146.8 25.8 -7.3 45 56 A F E -CD 382 126C 0 81,-1.5 81,-2.4 -2,-0.3 2,-0.4 -0.988 10.9-167.1-122.4 133.1 149.9 23.9 -6.4 46 57 A S E -CD 381 125C 16 335,-2.4 335,-0.6 -2,-0.4 2,-0.3 -0.982 18.7-131.8-129.4 134.1 152.9 25.7 -5.0 47 58 A L E -C 380 0C 12 77,-2.8 77,-0.4 -2,-0.4 2,-0.4 -0.626 28.7-173.5 -79.2 133.2 156.5 24.6 -4.4 48 59 A I E -C 379 0C 70 331,-3.7 331,-2.2 -2,-0.3 2,-0.9 -0.985 20.8-155.8-136.5 124.8 157.7 25.4 -0.9 49 60 A N E -C 378 0C 28 -2,-0.4 329,-0.2 329,-0.2 -2,-0.0 -0.850 9.7-174.0 -97.1 100.2 161.2 25.1 0.5 50 61 A R S S+ 0 0 177 327,-2.3 2,-1.8 -2,-0.9 3,-0.2 0.727 71.9 79.9 -67.6 -20.6 160.7 24.8 4.2 51 62 A T + 0 0 37 326,-0.5 -1,-0.2 1,-0.2 327,-0.0 -0.503 55.5 168.8 -87.6 69.2 164.4 24.9 4.8 52 63 A K + 0 0 167 -2,-1.8 -1,-0.2 4,-0.0 2,-0.1 0.841 52.1 95.7 -49.6 -36.0 164.7 28.7 4.5 53 64 A T S S+ 0 0 84 -3,-0.2 -2,-0.0 1,-0.0 0, 0.0 -0.398 89.4 15.2 -59.8 129.0 168.2 28.3 5.8 54 65 A V S S- 0 0 100 -2,-0.1 -3,-0.0 2,-0.0 -1,-0.0 0.841 95.2-107.5 68.0 108.8 170.6 28.1 2.8 55 66 A R - 0 0 16 1,-0.1 66,-0.2 66,-0.1 65,-0.1 0.299 17.7-157.9 -50.7-176.5 169.0 29.3 -0.5 56 67 A L S >> S+ 0 0 6 64,-4.3 3,-2.0 4,-0.1 4,-1.2 0.415 87.7 69.7-139.9 -30.6 168.0 27.2 -3.5 57 68 A A T 34 S+ 0 0 6 63,-2.2 64,-0.2 1,-0.3 5,-0.2 0.309 100.0 58.2 -75.2 10.9 168.1 29.7 -6.3 58 69 A E T 34 S+ 0 0 156 62,-0.4 -1,-0.3 3,-0.1 3,-0.1 0.302 107.0 42.6-119.5 1.1 171.8 29.5 -5.6 59 70 A E T <4 S+ 0 0 46 -3,-2.0 2,-0.4 1,-0.2 -2,-0.2 0.459 112.5 53.3-121.8 -13.6 172.1 25.7 -6.2 60 71 A I S < S- 0 0 3 -4,-1.2 -1,-0.2 91,-0.1 2,-0.1 -0.969 82.0-127.8-131.7 117.4 170.0 25.5 -9.3 61 72 A D > - 0 0 85 -2,-0.4 4,-1.7 1,-0.1 3,-0.2 -0.403 19.7-134.4 -61.2 132.7 170.5 27.6 -12.4 62 73 A E H > S+ 0 0 50 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.918 104.1 49.1 -57.0 -44.8 167.1 29.2 -13.3 63 74 A M H > S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.831 105.9 55.4 -66.6 -31.7 167.5 28.3 -17.0 64 75 A E H > S+ 0 0 80 1,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.890 108.5 51.7 -64.6 -36.3 168.4 24.7 -16.3 65 76 A L H X S+ 0 0 1 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.912 108.0 49.2 -64.6 -46.9 165.1 24.6 -14.3 66 77 A R H X S+ 0 0 62 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.879 109.7 54.8 -59.8 -40.0 163.1 26.1 -17.2 67 78 A E H X S+ 0 0 102 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.930 112.0 40.2 -60.3 -51.5 164.7 23.5 -19.5 68 79 A Q H X S+ 0 0 9 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.951 118.6 46.5 -64.7 -50.0 163.7 20.5 -17.4 69 80 A L H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.907 113.5 49.8 -58.8 -44.1 160.2 21.8 -16.6 70 81 A D H < S+ 0 0 72 -4,-2.9 4,-0.3 -5,-0.3 -1,-0.2 0.866 109.2 52.0 -65.3 -35.0 159.7 22.8 -20.3 71 82 A H H >X S+ 0 0 48 -4,-1.9 3,-2.9 1,-0.2 4,-0.6 0.957 104.2 56.0 -65.8 -46.9 160.8 19.3 -21.4 72 83 A A H >< S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.3 38,-0.5 0.815 100.5 61.2 -53.0 -31.0 158.3 17.7 -19.0 73 84 A R T 3< S+ 0 0 83 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.627 97.0 58.9 -73.9 -10.7 155.6 19.7 -20.8 74 85 A T T <4 S+ 0 0 86 -3,-2.9 -1,-0.2 -4,-0.3 -2,-0.2 0.614 83.6 113.8 -91.1 -12.0 156.4 17.9 -24.0 75 86 A L << - 0 0 18 -3,-0.9 2,-0.3 -4,-0.6 35,-0.2 -0.208 41.7-176.9 -63.4 146.6 155.7 14.5 -22.6 76 87 A R - 0 0 125 33,-0.1 -56,-0.3 31,-0.0 2,-0.2 -0.987 40.1 -91.1-142.4 148.2 152.8 12.3 -23.8 77 88 A L - 0 0 16 28,-0.5 -58,-0.0 -2,-0.3 3,-0.0 -0.412 51.4-129.2 -56.8 124.1 151.4 8.9 -22.7 78 89 A S > - 0 0 43 -2,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.230 18.7-108.6 -71.5 170.5 153.3 6.4 -25.0 79 90 A K H > S+ 0 0 70 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.946 120.8 46.3 -64.4 -46.5 151.4 3.8 -27.0 80 91 A K H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.851 110.1 52.1 -65.6 -36.5 152.7 1.1 -24.7 81 92 A E H > S+ 0 0 13 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.923 109.1 51.2 -66.3 -41.1 152.0 3.0 -21.5 82 93 A N H X S+ 0 0 46 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.944 112.8 45.1 -59.3 -49.6 148.4 3.5 -22.6 83 94 A I H X S+ 0 0 19 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.868 112.3 52.6 -62.8 -38.7 147.9 -0.2 -23.4 84 95 A W H X S+ 0 0 8 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.911 107.1 50.2 -66.6 -43.6 149.5 -1.2 -20.1 85 96 A L H < S+ 0 0 3 -4,-2.6 12,-0.3 1,-0.2 -1,-0.2 0.916 114.3 45.8 -62.3 -41.0 147.3 1.0 -17.9 86 97 A A H < S+ 0 0 44 -4,-1.8 9,-0.5 -5,-0.2 -2,-0.2 0.857 122.9 32.3 -70.6 -36.6 144.2 -0.4 -19.6 87 98 A G H < S+ 0 0 39 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.587 95.9 93.4-101.2 -11.2 145.1 -4.0 -19.5 88 99 A N S < S- 0 0 3 -4,-2.2 2,-0.5 -5,-0.2 7,-0.4 -0.394 73.1-120.1 -80.7 161.7 147.2 -4.5 -16.3 89 100 A T - 0 0 50 1,-0.2 5,-0.2 5,-0.1 -2,-0.1 -0.868 30.7-178.7 -99.1 131.2 145.7 -5.5 -13.0 90 101 A F S S+ 0 0 1 3,-2.3 -1,-0.2 -2,-0.5 142,-0.1 0.915 72.3 4.4-102.2 -67.0 146.3 -3.0 -10.2 91 102 A Y S S- 0 0 49 2,-0.2 181,-0.5 140,-0.1 182,-0.2 -0.370 128.1 -67.0-112.0 55.8 145.0 -3.8 -6.7 92 103 A G S S+ 0 0 66 1,-0.3 2,-0.3 -2,-0.1 179,-0.0 0.488 116.0 106.8 77.6 3.7 144.0 -7.2 -7.8 93 104 A R - 0 0 123 177,-0.1 -3,-2.3 -5,-0.0 3,-0.3 -0.838 61.0-135.6-118.4 155.2 141.3 -5.5 -10.0 94 105 A S S S+ 0 0 87 -2,-0.3 -5,-0.1 -5,-0.2 -7,-0.1 -0.706 78.3 16.1-105.1 156.8 140.9 -4.9 -13.7 95 106 A Q + 0 0 146 -9,-0.5 -1,-0.2 -7,-0.4 -6,-0.1 0.793 63.7 149.7 54.9 35.2 139.8 -1.8 -15.6 96 107 A I + 0 0 18 -3,-0.3 2,-0.7 -11,-0.2 -1,-0.1 0.798 66.4 66.2 -66.1 -21.4 140.3 0.6 -12.7 97 108 A F S S- 0 0 5 -12,-0.3 -1,-0.1 -11,-0.1 -2,-0.1 -0.880 90.0-133.1-104.4 113.3 141.1 3.0 -15.5 98 109 A E > - 0 0 54 -2,-0.7 4,-2.5 1,-0.1 5,-0.3 -0.330 13.2-128.6 -61.1 138.1 138.1 3.9 -17.7 99 110 A P H > S+ 0 0 97 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.893 112.0 54.6 -56.4 -35.5 138.8 3.8 -21.4 100 111 A E H > S+ 0 0 138 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.915 109.2 46.4 -62.9 -43.7 137.2 7.3 -21.6 101 112 A F H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.868 111.3 51.4 -65.4 -39.5 139.6 8.6 -18.9 102 113 A L H X S+ 0 0 3 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.835 107.3 54.6 -67.2 -31.9 142.6 6.9 -20.7 103 114 A S H X S+ 0 0 77 -4,-1.9 4,-0.6 -5,-0.3 -2,-0.2 0.916 109.1 46.5 -66.2 -44.9 141.5 8.6 -23.9 104 115 A W H >< S+ 0 0 51 -4,-1.9 3,-1.0 1,-0.2 4,-0.5 0.911 113.8 49.7 -62.5 -42.8 141.6 12.0 -22.1 105 116 A L H >< S+ 0 0 6 -4,-2.4 3,-0.6 1,-0.2 -28,-0.5 0.774 97.8 68.5 -67.4 -28.6 145.0 11.1 -20.7 106 117 A S H 3< S+ 0 0 30 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.760 110.8 33.9 -63.0 -23.9 146.3 10.1 -24.1 107 118 A S T << S+ 0 0 76 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.425 94.1 116.0-112.8 1.2 146.1 13.7 -25.1 108 119 A Y < - 0 0 11 -3,-0.6 2,-0.3 -4,-0.5 -31,-0.3 -0.313 37.5-179.1 -70.6 152.2 147.0 15.4 -21.8 109 120 A Q - 0 0 84 -33,-0.1 -36,-0.1 -2,-0.0 -33,-0.1 -0.979 39.5 -92.5-151.8 138.4 150.2 17.5 -21.3 110 121 A L - 0 0 1 -38,-0.5 23,-0.1 -2,-0.3 3,-0.1 -0.294 52.0-129.8 -51.9 129.9 151.5 19.3 -18.3 111 122 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 17,-0.0 -0.140 32.7 -63.7 -78.8 173.9 150.3 22.9 -18.4 112 123 A E - 0 0 151 1,-0.1 2,-0.3 14,-0.0 15,-0.3 -0.076 52.5-156.9 -52.9 156.9 152.0 26.3 -18.1 113 124 A Y - 0 0 44 13,-0.1 2,-0.5 -3,-0.1 13,-0.2 -0.891 15.2-123.9-136.9 164.9 153.7 27.2 -14.8 114 125 A E E +E 125 0C 90 11,-2.9 11,-2.5 -2,-0.3 2,-0.4 -0.962 33.0 173.9-114.8 120.0 154.7 30.3 -12.9 115 126 A L E +E 124 0C 16 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.992 6.5 151.5-131.3 136.2 158.4 30.6 -11.9 116 127 A F E -E 123 0C 36 7,-1.3 7,-2.8 -2,-0.4 2,-0.2 -0.983 38.6-116.6-158.8 148.0 160.3 33.4 -10.3 117 128 A K E +E 122 0C 106 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.621 33.7 168.5 -86.6 147.5 163.4 34.0 -8.1 118 129 A R - 0 0 28 3,-2.4 -61,-0.1 -2,-0.2 -2,-0.0 -0.616 66.8 -21.2-164.9 98.7 162.9 35.5 -4.7 119 130 A D S S- 0 0 153 1,-0.2 3,-0.1 -2,-0.2 -62,-0.1 0.933 123.8 -50.7 67.8 50.0 165.5 35.6 -1.9 120 131 A G S S+ 0 0 15 1,-0.2 -64,-4.3 -63,-0.1 -63,-2.2 0.782 123.5 103.3 60.5 25.3 167.6 32.8 -3.2 121 132 A Q - 0 0 34 -65,-0.3 -3,-2.4 -66,-0.2 2,-0.4 -0.932 69.0-123.6-134.6 157.6 164.4 30.7 -3.4 122 133 A Y E - E 0 117C 14 -2,-0.3 2,-0.8 -5,-0.2 -5,-0.2 -0.877 8.3-153.8-108.3 136.4 162.2 29.7 -6.2 123 134 A E E + E 0 116C 98 -7,-2.8 -7,-1.3 -2,-0.4 2,-0.5 -0.920 23.0 173.8-106.9 107.0 158.5 30.4 -6.5 124 135 A L E + E 0 115C 0 -2,-0.8 -77,-2.8 -77,-0.4 2,-0.4 -0.963 2.8 170.9-120.0 116.3 157.0 27.7 -8.6 125 136 A N E -DE 46 114C 24 -11,-2.5 -11,-2.9 -2,-0.5 2,-0.5 -0.955 22.2-156.5-128.6 147.4 153.2 27.6 -9.0 126 137 A F E -D 45 0C 0 -81,-2.4 -81,-1.5 -2,-0.4 2,-0.3 -0.953 18.8-173.7-125.2 111.2 150.8 25.7 -11.2 127 138 A H + 0 0 91 -2,-0.5 2,-0.3 -15,-0.3 -83,-0.1 -0.698 33.7 63.0-104.2 156.5 147.4 27.3 -11.8 128 139 A G S S- 0 0 31 -2,-0.3 -85,-2.5 -17,-0.0 5,-0.1 -0.816 85.8 -4.8 130.9-171.4 144.3 25.9 -13.5 129 140 A R B >> -B 42 0B 87 -87,-0.3 3,-2.0 -2,-0.3 4,-1.3 -0.293 64.2-122.4 -56.3 137.9 141.8 23.1 -13.3 130 141 A W H 3> S+ 0 0 0 -89,-2.9 4,-2.0 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0 0 11 -2,-0.3 3,-1.9 -3,-0.1 4,-0.1 -0.684 44.9 40.1-144.1-163.5 136.9 -0.9 -4.0 271 282 A G G > S- 0 0 26 1,-0.3 3,-1.7 -2,-0.2 27,-0.4 -0.219 121.7 -2.8 57.3-133.8 138.7 -3.8 -2.4 272 283 A N G 3 S+ 0 0 97 -181,-0.5 -1,-0.3 1,-0.3 -180,-0.1 0.528 122.5 74.3 -70.4 -5.6 142.2 -3.2 -1.1 273 284 A L G < + 0 0 2 -3,-1.9 2,-1.9 -182,-0.2 -1,-0.3 0.519 69.5 98.6 -84.0 -5.3 142.1 0.4 -2.3 274 285 A L < + 0 0 22 -3,-1.7 25,-1.4 -4,-0.1 24,-1.0 -0.519 49.7 144.1 -84.3 74.6 139.8 1.2 0.5 275 286 A I E -j 299 0D 4 -2,-1.9 2,-0.4 23,-0.2 25,-0.2 -0.951 43.2-135.9-115.2 128.7 142.4 2.7 2.8 276 287 A V E -j 300 0D 0 23,-2.8 25,-2.4 -2,-0.5 -2,-0.0 -0.717 12.5-167.9 -88.2 132.1 141.5 5.6 5.1 277 288 A L + 0 0 14 -2,-0.4 3,-0.2 23,-0.2 23,-0.0 -0.932 23.2 162.9-112.8 99.6 143.9 8.6 5.5 278 289 A P + 0 0 4 0, 0.0 3,-0.5 0, 0.0 8,-0.2 0.511 43.5 83.4-103.7 -3.2 142.4 10.4 8.5 279 290 A D > + 0 0 0 22,-0.4 3,-2.6 1,-0.2 4,-0.2 0.597 56.6 101.2 -79.7 -10.4 144.9 12.9 10.0 280 291 A A T 3 S+ 0 0 3 1,-0.3 113,-1.6 -3,-0.2 -1,-0.2 0.847 106.3 13.7 -37.1 -52.5 144.3 15.9 7.7 281 292 A F T 3 S- 0 0 10 -3,-0.5 -1,-0.3 1,-0.2 113,-0.2 -0.125 139.6 -59.8-119.6 33.8 142.1 17.6 10.3 282 293 A G <> - 0 0 14 -3,-2.6 4,-2.1 111,-0.4 -1,-0.2 0.646 37.3-129.5 90.0 116.9 143.1 15.4 13.2 283 294 A T H > S+ 0 0 5 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.837 107.9 56.3 -61.3 -38.5 142.5 11.7 13.6 284 295 A A H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.951 111.1 43.4 -60.3 -49.2 140.8 12.0 17.0 285 296 A A H > S+ 0 0 9 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.875 114.3 54.0 -63.9 -35.7 138.3 14.3 15.5 286 297 A F H < S+ 0 0 11 -4,-2.1 4,-0.3 -8,-0.2 3,-0.2 0.941 111.8 40.8 -64.4 -50.6 138.0 12.0 12.5 287 298 A L H >< S+ 0 0 9 -4,-3.3 3,-1.2 1,-0.2 -2,-0.2 0.904 110.2 58.9 -67.4 -39.9 137.3 8.9 14.5 288 299 A R H 3< S+ 0 0 163 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.825 117.0 32.2 -59.4 -31.4 135.0 10.6 16.9 289 300 A N T 3< S+ 0 0 96 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.271 89.5 129.8-110.5 13.3 132.7 11.7 14.1 290 301 A A < - 0 0 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1,-0.2 -2,-0.2 0.942 112.8 49.4 -64.0 -48.4 148.7 6.3 16.0 311 322 A G H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.4 -2,-0.2 0.909 110.1 50.3 -57.0 -45.7 148.2 2.6 15.2 312 323 A E H X S+ 0 0 61 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.806 105.9 57.3 -64.3 -30.7 146.8 1.8 18.7 313 324 A K H X S+ 0 0 93 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.2 0.928 109.2 45.0 -66.8 -42.1 144.4 4.7 18.3 314 325 A I H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.924 113.3 50.8 -65.8 -44.2 143.0 3.1 15.2 315 326 A I H X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.898 106.7 53.2 -61.7 -41.1 142.9 -0.3 16.8 316 327 A E H X S+ 0 0 99 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.914 109.6 50.0 -61.8 -39.6 141.0 0.9 19.8 317 328 A W H X S+ 0 0 22 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.922 107.3 53.3 -65.7 -41.6 138.4 2.4 17.5 318 329 A W H <>S+ 0 0 0 -4,-2.3 5,-2.9 1,-0.2 4,-0.4 0.887 109.7 48.7 -60.0 -37.7 138.1 -0.8 15.6 319 330 A R H ><5S+ 0 0 143 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.952 106.9 55.8 -64.9 -47.8 137.4 -2.6 18.9 320 331 A K H 3<5S+ 0 0 139 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.825 110.1 46.3 -51.7 -36.9 134.8 0.0 19.8 321 332 A M T 3<5S- 0 0 53 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.496 118.4-112.1 -87.4 -3.8 133.0 -0.7 16.5 322 333 A G T < 5 + 0 0 66 -3,-2.0 2,-0.3 -4,-0.4 -3,-0.2 0.699 69.4 140.5 82.2 19.8 133.2 -4.5 17.0 323 334 A R < - 0 0 47 -5,-2.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.743 56.0-120.7 -97.7 144.3 135.7 -5.1 14.2 324 335 A D > - 0 0 47 -2,-0.3 3,-1.3 1,-0.2 4,-0.3 -0.734 16.4-156.1 -83.3 118.2 138.5 -7.6 14.4 325 336 A P G > S+ 0 0 1 0, 0.0 3,-1.1 0, 0.0 28,-0.7 0.715 87.8 72.8 -67.8 -19.3 141.8 -5.7 13.8 326 337 A R G 3 S+ 0 0 155 1,-0.3 26,-0.1 26,-0.2 24,-0.1 0.782 98.0 50.1 -64.6 -25.1 143.5 -8.9 12.7 327 338 A T G < S+ 0 0 65 -3,-1.3 -1,-0.3 24,-0.1 2,-0.2 0.552 105.0 75.7 -88.1 -9.3 141.4 -8.6 9.5 328 339 A K S < S- 0 0 18 -3,-1.1 25,-2.8 -4,-0.3 2,-0.4 -0.535 71.8-130.0-102.3 167.8 142.4 -5.0 9.0 329 340 A M E -kl 299 353D 54 -31,-1.7 -29,-2.3 -2,-0.2 2,-0.5 -0.944 5.4-156.6-127.5 143.5 145.6 -3.3 7.8 330 341 A L E -kl 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-1,-0.3 2,-0.0 -5,-0.2 0.009 84.2 148.0 -99.1 27.3 152.9 21.5 12.1 400 415 A A < - 0 0 32 -3,-1.5 2,-0.4 -7,-0.1 -7,-0.2 0.028 37.3-137.4 -56.6 168.4 149.9 22.8 10.2 401 416 A T B +M 392 0E 46 -9,-2.3 -9,-2.3 2,-0.1 2,-0.1 -0.993 50.8 17.6-135.7 139.8 150.0 23.8 6.5 402 417 A G S S+ 0 0 39 -2,-0.4 -11,-0.1 -11,-0.2 5,-0.1 -0.333 98.9 7.7 100.2 178.7 148.4 26.8 4.7 403 418 A D > - 0 0 72 -13,-0.4 4,-3.1 -20,-0.3 3,-0.5 -0.044 62.4-140.2 -37.3 111.6 146.9 30.2 5.3 404 419 A P H > S+ 0 0 101 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.855 100.9 48.9 -45.9 -46.1 147.5 30.9 9.1 405 420 A A H > S+ 0 0 66 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.893 113.1 46.5 -65.4 -39.8 144.0 32.5 9.5 406 421 A E H > S+ 0 0 32 -3,-0.5 4,-2.8 2,-0.2 5,-0.3 0.942 108.3 56.2 -67.4 -45.4 142.3 29.5 7.8 407 422 A V H X S+ 0 0 17 -4,-3.1 4,-3.1 1,-0.3 5,-0.2 0.912 107.4 50.7 -48.7 -46.9 144.4 27.1 9.9 408 423 A E H X S+ 0 0 124 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.3 0.877 108.7 51.1 -60.2 -40.0 142.9 28.9 12.9 409 424 A R H X S+ 0 0 116 -4,-1.7 4,-1.9 -3,-0.2 -2,-0.2 0.941 114.1 42.9 -65.1 -45.5 139.4 28.5 11.6 410 425 A Y H X>S+ 0 0 1 -4,-2.8 4,-3.5 2,-0.2 5,-0.5 0.929 113.0 51.9 -64.3 -47.6 139.8 24.8 11.0 411 426 A L H X5S+ 0 0 31 -4,-3.1 4,-1.8 -5,-0.3 -1,-0.2 0.894 112.8 45.9 -56.2 -42.3 141.6 24.2 14.3 412 427 A K H <5S+ 0 0 184 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.850 117.0 45.9 -70.5 -34.3 138.8 26.0 16.1 413 428 A F H <5S+ 0 0 69 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.925 123.2 29.7 -76.2 -47.6 136.2 24.1 14.1 414 429 A F H <5S- 0 0 28 -4,-3.5 -3,-0.2 1,-0.2 -2,-0.2 0.693 99.3-146.8 -86.5 -21.8 137.6 20.5 14.3 415 430 A G << - 0 0 34 -4,-1.8 2,-0.3 -5,-0.5 -1,-0.2 -0.241 11.1-106.8 80.8-177.2 139.2 20.9 17.7 416 431 A E - 0 0 118 -4,-0.1 -1,-0.1 -132,-0.1 -134,-0.1 -0.956 26.8-103.3-155.2 133.1 142.5 19.2 18.7 417 432 A E 0 0 72 -2,-0.3 -2,-0.0 1,-0.1 -134,-0.0 -0.134 360.0 360.0 -52.9 150.9 143.2 16.3 21.1 418 433 A D 0 0 156 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.962 360.0 360.0 -53.0 360.0 144.7 17.3 24.5 419 !* 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 0.0 420 8 B M > 0 0 96 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 45.4 177.5 -2.3 -33.0 421 9 B T H > + 0 0 10 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.819 360.0 57.6 -57.6 -31.0 176.4 -5.8 -33.7 422 10 B K H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.963 103.5 48.5 -64.8 -54.2 180.1 -6.6 -34.3 423 11 B T H > S+ 0 0 92 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.878 112.6 52.7 -52.3 -38.6 181.3 -5.5 -30.9 424 12 B D H < S+ 0 0 39 -4,-1.8 4,-0.4 2,-0.2 -1,-0.2 0.913 107.2 50.4 -63.3 -47.8 178.5 -7.7 -29.5 425 13 B I H >< S+ 0 0 30 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.902 113.7 43.2 -59.4 -47.4 179.6 -10.8 -31.5 426 14 B A H 3< S+ 0 0 54 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.841 112.4 52.5 -70.3 -35.0 183.2 -10.7 -30.4 427 15 B T T 3< 0 0 117 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.476 360.0 360.0 -81.3 -1.3 182.4 -9.9 -26.7 428 16 B R < 0 0 139 -3,-0.7 5,-0.0 -4,-0.4 -4,-0.0 -0.852 360.0 360.0-111.6 360.0 180.0 -12.9 -26.6 429 ! 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 0.0 430 22 B W 0 0 162 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 152.3 180.8 -18.0 -19.4 431 23 B K - 0 0 103 1,-0.2 2,-0.1 0, 0.0 0, 0.0 -0.324 360.0 -61.1 -97.4-171.4 177.2 -19.0 -19.5 432 24 B L - 0 0 67 -2,-0.1 -1,-0.2 1,-0.1 51,-0.0 -0.368 35.8-147.4 -75.3 140.5 174.6 -19.8 -22.5 433 25 B D - 0 0 48 -3,-0.1 2,-0.1 -2,-0.1 -1,-0.1 -0.795 23.7-146.7-113.8 83.9 173.9 -17.0 -25.0 434 26 B P - 0 0 35 0, 0.0 53,-0.0 0, 0.0 128,-0.0 -0.309 14.8-164.1 -58.0 131.1 170.2 -17.8 -25.9 435 27 B I S S+ 0 0 0 -2,-0.1 2,-0.8 1,-0.1 182,-0.1 0.838 71.9 74.0 -84.5 -44.4 169.1 -17.0 -29.5 436 28 B V - 0 0 6 51,-0.2 -1,-0.1 1,-0.2 3,-0.1 -0.722 61.0-170.2 -87.4 110.1 165.3 -17.1 -28.9 437 29 B R - 0 0 79 -2,-0.8 2,-0.3 1,-0.2 -1,-0.2 0.941 58.2 -31.5 -61.0 -58.5 164.2 -14.0 -27.1 438 30 B S > - 0 0 13 56,-0.1 3,-1.4 3,-0.0 -1,-0.2 -0.915 65.1 -85.3-155.1 179.9 160.6 -14.9 -26.2 439 31 B L T 3 S+ 0 0 17 56,-0.3 57,-0.1 -2,-0.3 -2,-0.0 0.749 124.7 51.8 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