==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-NOV-05 2F7F . COMPND 2 MOLECULE: NICOTINATE PHOSPHORIBOSYLTRANSFERASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR Y.PATSKOVSKY,S.C.ALMO,S.K.BURLEY,NEW YORK SGX RESEARCH CENTE . 482 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23312.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 0.2 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 . 38 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.9 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 2 0 0 2 1 3 0 1 2 0 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 2 2 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 0 0 PARALLEL BRIDGES PER LADDER . 0 2 2 1 2 2 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 . 2 0 1 0 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 4 A T 0 0 179 0, 0.0 67,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 91.7 51.8 52.2 34.6 2 5 A Y - 0 0 76 1,-0.1 2,-0.1 66,-0.1 67,-0.0 0.898 360.0-113.3-114.8 172.5 49.0 50.9 34.3 3 6 A A - 0 0 64 1,-0.1 2,-2.1 2,-0.1 3,-0.1 -0.267 24.5-133.2 -63.2 130.8 45.4 52.1 33.3 4 7 A D + 0 0 158 1,-0.2 -1,-0.1 -2,-0.1 3,-0.0 -0.475 63.7 127.9 -81.1 72.3 42.8 52.0 36.0 5 8 A D + 0 0 86 -2,-2.1 2,-0.3 1,-0.1 -1,-0.2 0.161 57.9 50.6-111.6 14.7 40.2 50.4 33.8 6 9 A S - 0 0 22 -3,-0.1 3,-0.1 1,-0.1 -1,-0.1 -0.990 45.8-161.6-163.3 139.1 39.2 47.5 36.0 7 10 A L S > S+ 0 0 71 -2,-0.3 3,-1.5 55,-0.2 120,-0.1 0.334 75.0 97.2 -99.3 1.1 38.0 46.3 39.4 8 11 A T T 3 S+ 0 0 1 56,-0.3 -1,-0.1 1,-0.3 57,-0.1 0.860 86.9 44.0 -67.6 -32.6 39.0 42.6 38.8 9 12 A L T 3 S+ 0 0 43 -3,-0.1 2,-2.1 1,-0.1 -1,-0.3 0.370 78.9 112.0 -91.7 8.4 42.3 43.1 40.6 10 13 A H < + 0 0 95 -3,-1.5 2,-0.3 2,-0.0 117,-0.3 -0.576 64.3 93.1 -72.7 78.8 40.6 45.0 43.5 11 14 A T S S- 0 0 24 -2,-2.1 2,-0.3 115,-0.1 113,-0.1 -0.937 88.4 -77.4-159.9 168.7 41.4 42.0 45.7 12 15 A D >> - 0 0 77 -2,-0.3 3,-2.0 1,-0.1 4,-0.7 -0.626 37.7-126.2 -80.6 138.3 44.1 40.8 48.1 13 16 A M H >> S+ 0 0 73 -2,-0.3 4,-2.0 1,-0.3 3,-0.7 0.831 108.2 67.4 -51.5 -36.9 47.3 39.4 46.4 14 17 A Y H 3> S+ 0 0 143 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.789 92.6 60.7 -62.7 -22.0 46.9 36.2 48.3 15 18 A Q H <> S+ 0 0 3 -3,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.902 105.9 45.8 -64.6 -42.3 43.7 35.5 46.3 16 19 A I H S+ 0 0 35 -4,-2.8 5,-3.4 2,-0.2 6,-0.7 0.951 115.8 47.3 -67.8 -49.7 44.5 25.8 42.7 23 26 A W H ><5S+ 0 0 72 -4,-3.0 3,-1.5 4,-0.3 -2,-0.2 0.901 109.3 50.6 -64.1 -46.5 44.9 26.1 38.9 24 27 A E H 3<5S+ 0 0 84 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.784 114.1 46.2 -59.9 -28.8 48.4 24.6 38.6 25 28 A L T 3<5S- 0 0 126 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.207 118.1-109.1-105.0 14.1 47.3 21.5 40.5 26 29 A G T < 5S+ 0 0 71 -3,-1.5 -3,-0.2 1,-0.1 -2,-0.1 0.807 90.5 109.3 67.3 33.0 44.0 21.1 38.7 27 30 A R > < + 0 0 109 -5,-3.4 3,-1.5 -6,-0.1 -4,-0.3 0.257 36.5 103.3-120.6 7.5 41.8 22.2 41.6 28 31 A A T 3 S+ 0 0 5 -6,-0.7 91,-2.3 1,-0.3 92,-0.5 0.806 87.2 43.7 -62.7 -29.9 40.5 25.6 40.3 29 32 A D T 3 S+ 0 0 114 88,-0.2 -1,-0.3 89,-0.2 -2,-0.1 0.164 78.6 133.1-107.6 23.8 37.1 24.2 39.4 30 33 A L < - 0 0 29 -3,-1.5 88,-2.2 1,-0.1 2,-0.5 -0.284 69.8-102.2 -62.5 159.5 36.7 22.1 42.6 31 34 A H E +A 117 0A 63 86,-0.2 304,-2.7 305,-0.1 2,-0.3 -0.793 51.2 174.9 -93.8 127.7 33.2 22.8 43.8 32 35 A A E -AB 116 334A 0 84,-2.6 84,-2.1 -2,-0.5 2,-0.4 -0.938 25.8-155.4-131.7 152.4 33.0 25.3 46.8 33 36 A V E -AB 115 333A 1 300,-2.8 299,-2.5 -2,-0.3 300,-1.4 -0.999 17.1-178.0-122.7 129.7 30.5 27.2 48.9 34 37 A F E -AB 114 331A 6 80,-2.6 80,-2.6 -2,-0.4 2,-0.4 -0.959 7.4-158.9-123.5 145.0 31.6 30.4 50.7 35 38 A E E -AB 113 330A 4 295,-2.6 295,-2.8 -2,-0.4 2,-0.5 -0.962 8.2-146.3-129.2 145.4 29.4 32.5 53.0 36 39 A C E +AB 112 329A 1 76,-2.7 75,-2.9 -2,-0.4 76,-0.9 -0.918 34.4 144.1-110.0 128.8 29.5 36.1 54.1 37 40 A Y E - B 0 328A 17 291,-2.0 291,-2.7 -2,-0.5 2,-0.3 -0.983 37.7-130.0-154.9 159.7 28.4 37.0 57.7 38 41 A F - 0 0 0 71,-0.4 70,-3.0 68,-0.4 71,-0.3 -0.848 8.6-148.6-114.9 160.2 29.1 39.4 60.6 39 42 A R S S+ 0 0 54 287,-0.5 2,-0.4 -2,-0.3 68,-0.1 0.770 75.3 38.9-101.0 -30.5 29.5 38.4 64.2 40 43 A E S S- 0 0 139 285,-0.4 -1,-0.2 286,-0.1 68,-0.1 -0.951 84.3-107.0-127.5 145.7 28.2 41.4 66.2 41 44 A M > - 0 0 28 -2,-0.4 3,-2.0 1,-0.1 2,-0.1 -0.510 46.2-112.3 -68.1 123.8 25.3 43.7 65.7 42 45 A P G > S- 0 0 0 0, 0.0 3,-2.3 0, 0.0 5,-0.2 -0.388 97.1 -0.9 -63.1 136.6 26.7 47.1 64.6 43 46 A F G 3 S- 0 0 7 1,-0.3 3,-0.1 -2,-0.1 -2,-0.1 0.601 118.5 -83.2 64.0 12.2 26.3 49.8 67.2 44 47 A N G < S+ 0 0 140 -3,-2.0 -1,-0.3 1,-0.2 -3,-0.1 0.770 83.9 167.2 56.1 27.3 24.5 47.1 69.3 45 48 A H < - 0 0 5 -3,-2.3 -1,-0.2 1,-0.1 406,-0.1 -0.271 47.5-119.7 -69.5 159.8 21.5 48.1 67.2 46 49 A G S S+ 0 0 7 404,-0.2 411,-0.3 403,-0.1 2,-0.3 0.687 91.0 4.8 -72.5 -20.4 18.4 45.8 67.3 47 50 A Y - 0 0 0 -5,-0.2 2,-0.3 402,-0.1 59,-0.2 -0.951 66.9-135.1-151.7 159.2 18.6 45.1 63.5 48 51 A A E -G 105 0B 0 57,-1.9 57,-2.3 -2,-0.3 2,-0.5 -0.889 14.4-135.3-115.4 158.5 20.8 45.8 60.5 49 52 A I E -G 104 0B 2 87,-0.5 91,-0.3 -2,-0.3 55,-0.2 -0.973 24.1-130.5-113.5 120.4 19.8 47.0 57.0 50 53 A F + 0 0 0 53,-2.7 52,-2.6 -2,-0.5 2,-0.3 -0.481 34.5 164.4 -71.0 133.0 21.5 45.2 54.2 51 54 A A + 0 0 0 81,-0.3 85,-0.6 50,-0.2 84,-0.1 -0.988 39.1 69.1-145.1 155.8 23.1 47.2 51.4 52 55 A G > + 0 0 0 -2,-0.3 4,-2.4 83,-0.2 5,-0.2 0.316 57.9 114.7 124.1 -6.8 25.6 46.6 48.6 53 56 A L H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.927 79.9 45.6 -64.8 -47.7 23.7 44.2 46.2 54 57 A E H > S+ 0 0 41 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.948 114.9 49.9 -60.3 -45.9 23.5 46.6 43.1 55 58 A R H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.919 113.2 45.4 -53.5 -51.1 27.2 47.5 43.6 56 59 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.910 110.3 54.4 -62.9 -43.1 28.2 43.8 43.8 57 60 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.929 109.0 47.4 -58.3 -47.0 26.1 42.9 40.8 58 61 A N H X S+ 0 0 64 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.917 112.9 50.2 -61.8 -43.2 27.8 45.6 38.6 59 62 A Y H >< S+ 0 0 8 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.923 112.0 46.4 -58.6 -46.9 31.2 44.4 39.8 60 63 A L H >< S+ 0 0 6 -4,-2.8 3,-1.2 1,-0.2 32,-0.3 0.858 108.2 55.9 -71.3 -33.8 30.4 40.7 39.0 61 64 A E H 3< S+ 0 0 92 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.731 113.2 42.1 -68.7 -24.2 29.0 41.5 35.6 62 65 A N T << S+ 0 0 120 -4,-1.1 2,-2.1 -3,-0.6 -1,-0.3 0.133 79.6 131.7-103.9 16.8 32.3 43.2 34.6 63 66 A L < + 0 0 4 -3,-1.2 29,-0.4 -56,-0.1 2,-0.3 -0.451 31.4 118.7 -78.7 76.9 34.5 40.6 36.2 64 67 A T - 0 0 74 -2,-2.1 2,-0.7 27,-0.1 -56,-0.3 -0.980 68.3-112.3-132.7 151.2 37.0 40.0 33.4 65 68 A F - 0 0 12 22,-0.6 -2,-0.1 -2,-0.3 25,-0.0 -0.739 38.2-144.1 -83.8 115.1 40.7 40.5 33.5 66 69 A T > - 0 0 37 -2,-0.7 4,-2.3 1,-0.1 5,-0.2 -0.121 26.2-100.2 -70.8 172.5 41.6 43.4 31.1 67 70 A E H > S+ 0 0 178 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.913 126.8 46.2 -59.2 -43.8 44.6 43.7 28.9 68 71 A S H > S+ 0 0 19 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.837 107.9 57.1 -72.4 -34.6 46.2 46.1 31.4 69 72 A D H > S+ 0 0 12 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.956 112.6 41.2 -51.6 -52.2 45.3 43.8 34.3 70 73 A I H X S+ 0 0 11 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.872 111.2 55.5 -70.9 -39.1 47.2 40.9 32.6 71 74 A A H X S+ 0 0 13 -4,-2.3 4,-3.7 2,-0.2 5,-0.4 0.906 108.0 49.5 -59.5 -44.8 50.1 43.2 31.6 72 75 A Y H X>S+ 0 0 75 -4,-2.3 4,-2.2 2,-0.2 5,-1.6 0.950 112.8 46.7 -56.6 -50.7 50.6 44.2 35.2 73 76 A L H <5S+ 0 0 3 -4,-1.9 6,-2.3 3,-0.2 -2,-0.2 0.837 120.1 40.6 -64.6 -34.6 50.6 40.6 36.4 74 77 A R H <5S+ 0 0 92 -4,-2.6 4,-0.4 4,-0.2 -2,-0.2 0.946 123.4 34.1 -73.9 -54.9 53.0 39.6 33.6 75 78 A E H <5S+ 0 0 116 -4,-3.7 -3,-0.2 -5,-0.2 -2,-0.2 0.903 132.7 22.4 -79.2 -41.7 55.4 42.5 33.6 76 79 A V T <5S+ 0 0 71 -4,-2.2 -3,-0.2 -5,-0.4 -4,-0.1 0.916 133.3 32.0 -89.3 -53.5 55.5 43.5 37.3 77 80 A E S - 0 0 42 0, 0.0 4,-2.2 0, 0.0 5,-0.1 -0.365 25.3-120.4 -72.0 154.4 53.6 32.6 34.0 81 84 A E H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.839 110.2 59.2 -64.3 -39.8 51.8 32.8 30.6 82 85 A D H >> S+ 0 0 72 2,-0.2 4,-1.7 1,-0.2 3,-0.6 0.962 110.7 40.2 -47.4 -62.6 49.9 29.6 31.1 83 86 A F H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.867 113.5 57.3 -56.8 -39.3 48.2 30.9 34.3 84 87 A L H 3X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.803 104.4 49.7 -64.0 -34.2 47.8 34.3 32.6 85 88 A T H < S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 -22,-0.6 0.892 110.4 54.3 -66.7 -41.0 43.0 34.6 33.8 88 91 A A H 3< S+ 0 0 56 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.871 112.8 43.7 -57.8 -38.1 42.5 36.2 30.3 89 92 A N T 3< S+ 0 0 137 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.498 89.1 131.1 -85.4 -3.1 39.8 33.6 29.5 90 93 A F < + 0 0 9 -3,-0.9 2,-0.3 -4,-0.4 -25,-0.3 -0.212 27.7 171.7 -58.7 126.3 38.2 33.9 33.0 91 94 A E - 0 0 132 -27,-0.1 2,-0.2 0, 0.0 -27,-0.1 -0.993 38.4-107.2-135.1 145.7 34.5 34.3 33.2 92 95 A F + 0 0 16 -29,-0.4 -29,-0.0 -2,-0.3 -28,-0.0 -0.422 42.7 162.0 -70.6 126.2 32.4 34.3 36.3 93 96 A K + 0 0 127 -2,-0.2 2,-0.3 24,-0.1 328,-0.1 0.036 31.6 119.3-137.4 22.4 30.3 31.1 36.6 94 97 A C - 0 0 0 326,-0.2 327,-2.1 22,-0.1 2,-0.4 -0.667 63.2-119.9 -90.9 150.2 29.3 30.9 40.3 95 98 A T E -C 115 0A 16 20,-3.0 20,-3.1 -2,-0.3 2,-0.4 -0.717 29.0-161.8 -79.7 133.4 25.9 31.0 41.7 96 99 A V E -CD 114 418A 0 322,-2.1 321,-2.9 -2,-0.4 322,-1.4 -0.994 8.7-175.7-122.8 122.9 25.4 34.0 44.1 97 100 A R E +CD 113 416A 23 16,-2.6 16,-2.9 -2,-0.4 2,-0.3 -0.967 17.6 166.1-116.4 141.1 22.5 34.0 46.6 98 101 A S E -CD 112 415A 0 317,-2.6 317,-3.2 -2,-0.4 14,-0.2 -0.993 42.8-105.8-151.9 150.0 22.0 37.1 48.7 99 102 A A - 0 0 0 12,-2.3 2,-0.2 -2,-0.3 315,-0.1 -0.420 52.2-115.2 -56.6 154.3 19.7 39.1 51.0 100 103 A L > - 0 0 17 313,-0.2 3,-2.1 -2,-0.1 -50,-0.2 -0.661 35.5 -85.2 -97.8 158.4 18.3 42.0 49.0 101 104 A E T 3 S+ 0 0 10 1,-0.3 -50,-0.2 -2,-0.2 -1,-0.1 -0.387 118.7 28.7 -62.4 137.1 19.0 45.6 49.7 102 105 A G T 3 S+ 0 0 0 -52,-2.6 -1,-0.3 1,-0.4 338,-0.2 0.302 89.0 132.1 90.1 -8.1 16.7 46.9 52.4 103 106 A D < - 0 0 0 -3,-2.1 -53,-2.7 -53,-0.2 -1,-0.4 -0.487 64.5-114.7 -66.4 143.9 16.3 43.5 54.0 104 107 A L E -G 49 0B 7 -55,-0.2 2,-0.3 -2,-0.2 -55,-0.2 -0.664 41.5-174.7 -70.9 134.6 16.7 43.3 57.7 105 108 A V E -G 48 0B 0 -57,-2.3 -57,-1.9 -2,-0.3 2,-0.2 -0.955 7.3-166.7-135.0 156.8 19.8 41.3 58.5 106 109 A F > - 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0 0 33 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.1 -0.717 59.2 -18.3 85.8-141.0 10.9 60.2 63.9 151 154 A D T 3 S+ 0 0 163 -2,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.711 106.6 104.4 -79.7 -21.1 9.0 61.7 60.9 152 155 A D S < S- 0 0 55 -3,-0.5 157,-0.2 1,-0.1 2,-0.1 -0.128 84.6 -81.0 -57.0 151.9 11.1 64.9 60.6 153 156 A P - 0 0 45 0, 0.0 157,-2.3 0, 0.0 2,-0.5 -0.349 34.3-162.2 -62.0 132.6 13.7 65.1 57.7 154 157 A L E -h 310 0C 0 25,-0.3 27,-3.4 155,-0.2 28,-1.0 -0.989 11.9-165.3-106.7 121.5 17.1 63.5 58.0 155 158 A L E -hi 311 182C 10 155,-3.1 157,-2.6 -2,-0.5 2,-0.7 -0.927 16.7-138.1-111.9 126.1 19.5 65.0 55.5 156 159 A E E +hi 312 183C 0 26,-2.5 28,-1.8 -2,-0.5 29,-0.4 -0.762 36.3 158.7 -85.8 114.3 22.8 63.3 54.7 157 160 A F + 0 0 37 155,-2.8 3,-0.4 -2,-0.7 156,-0.2 0.025 35.9 106.6-125.9 18.2 25.3 66.1 54.5 158 161 A G > + 0 0 0 154,-0.4 3,-2.1 155,-0.3 4,-0.5 0.339 31.4 112.8 -96.7 10.5 28.5 64.3 55.1 159 162 A T G > S+ 0 0 50 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.857 80.1 54.1 -46.3 -44.6 30.3 64.2 51.7 160 163 A R G 3 S+ 0 0 201 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.710 113.4 43.3 -65.0 -22.2 33.1 66.5 52.9 161 164 A R G < S+ 0 0 135 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.324 90.9 116.1-102.4 1.3 33.7 64.2 55.9 162 165 A A S < S- 0 0 19 -3,-1.6 2,-1.7 -4,-0.5 156,-0.1 -0.258 79.3-103.6 -82.1 162.1 33.5 60.9 54.0 163 166 A Q S S- 0 0 143 154,-0.3 4,-0.5 2,-0.1 -1,-0.1 -0.594 85.7 -48.0 -84.7 78.8 36.3 58.4 53.6 164 167 A E S > S- 0 0 145 -2,-1.7 4,-1.3 -5,-0.1 -1,-0.0 -0.100 84.1 -62.1 70.8-177.1 37.1 59.2 49.9 165 168 A L H > S+ 0 0 110 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.898 127.4 52.3 -83.0 -42.0 34.7 59.6 47.1 166 169 A D H >>S+ 0 0 84 1,-0.2 4,-3.0 2,-0.2 5,-0.7 0.918 108.3 55.9 -52.1 -46.8 33.0 56.2 46.7 167 170 A A H >5S+ 0 0 10 -4,-0.5 4,-1.5 1,-0.2 5,-0.2 0.888 108.3 48.3 -51.7 -43.6 32.3 56.3 50.4 168 171 A A H X5S+ 0 0 3 -4,-1.3 4,-1.7 3,-0.2 -2,-0.2 0.955 119.3 35.5 -64.9 -54.0 30.4 59.6 49.9 169 172 A I H X5S+ 0 0 4 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.925 126.6 36.5 -68.4 -47.9 28.3 58.6 46.9 170 173 A W H X5S+ 0 0 22 -4,-3.0 4,-2.2 -5,-0.2 -3,-0.2 0.825 117.6 53.4 -78.0 -31.7 27.6 54.9 47.9 171 174 A G H XS+ 0 0 0 -4,-2.4 5,-2.8 2,-0.2 4,-1.8 0.922 107.1 50.2 -60.1 -47.9 21.8 56.3 54.1 176 179 A Y H <5S+ 0 0 18 -4,-2.3 3,-0.3 3,-0.2 -2,-0.2 0.941 111.5 49.0 -54.0 -51.7 18.8 57.0 51.8 177 180 A I H <5S+ 0 0 2 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.941 113.9 46.1 -49.4 -49.1 18.0 53.3 51.9 178 181 A G H <5S- 0 0 11 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.692 138.3 -64.8 -77.7 -19.1 18.3 53.1 55.7 179 182 A G T <5S+ 0 0 9 -4,-1.8 -25,-0.3 -3,-0.3 -3,-0.2 0.390 85.4 128.9 153.7 -12.0 16.3 56.3 56.5 180 183 A A < - 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0 0 40 -8,-1.1 2,-0.4 -10,-0.1 -8,-0.1 -0.920 67.7-143.2-115.1 124.7 17.6 39.0 39.4 426 429 A E - 0 0 170 -2,-0.5 -2,-0.0 1,-0.0 0, 0.0 -0.718 26.7-119.8 -84.6 128.5 16.2 42.2 38.1 427 430 A L - 0 0 46 -2,-0.4 2,-0.1 1,-0.1 -1,-0.0 -0.522 26.6-134.0 -72.2 127.2 17.6 45.2 40.0 428 431 A P - 0 0 32 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.340 25.7 -98.3 -70.7 163.4 14.9 47.3 41.8 429 432 A T > - 0 0 78 1,-0.1 4,-2.0 -2,-0.1 3,-0.3 -0.486 35.0-110.4 -75.1 155.6 14.8 51.1 41.6 430 433 A L H > S+ 0 0 15 -238,-0.3 4,-2.4 1,-0.2 5,-0.2 0.899 120.3 52.4 -53.3 -42.2 16.4 53.0 44.5 431 434 A D H > S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.873 107.6 52.6 -63.3 -34.8 12.9 54.2 45.7 432 435 A E H > S+ 0 0 111 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.865 108.8 50.1 -67.1 -38.6 11.7 50.5 45.6 433 436 A I H X S+ 0 0 2 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.947 111.1 48.1 -61.5 -49.4 14.6 49.5 47.8 434 437 A K H X S+ 0 0 43 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.905 112.9 48.1 -61.2 -42.4 13.8 52.3 50.3 435 438 A Q H X S+ 0 0 89 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.898 110.6 51.8 -62.0 -41.3 10.1 51.3 50.3 436 439 A Y H X S+ 0 0 57 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.943 110.1 49.3 -60.5 -48.0 11.1 47.6 50.8 437 440 A A H X S+ 0 0 5 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.914 110.8 50.0 -55.2 -46.9 13.4 48.7 53.8 438 441 A K H X S+ 0 0 111 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.916 112.3 46.6 -57.7 -45.5 10.5 50.8 55.4 439 442 A E H X S+ 0 0 96 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.871 112.2 50.1 -70.1 -40.2 8.0 47.9 55.1 440 443 A N H X S+ 0 0 26 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.931 113.9 45.2 -63.2 -45.6 10.5 45.4 56.5 441 444 A L H >< S+ 0 0 35 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.932 110.3 53.9 -61.7 -46.7 11.3 47.7 59.4 442 445 A D H 3< S+ 0 0 94 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.822 108.6 51.2 -56.1 -32.6 7.5 48.4 60.0 443 446 A S H 3< S+ 0 0 87 -4,-1.6 -1,-0.2 -5,-0.1 2,-0.2 0.678 86.0 101.8 -80.5 -21.3 6.9 44.6 60.2 444 447 A L S << S- 0 0 8 -4,-1.0 5,-0.1 -3,-0.8 -72,-0.1 -0.488 87.4-102.1 -64.2 130.8 9.6 43.9 62.8 445 448 A H >> - 0 0 64 -2,-0.2 3,-1.9 1,-0.1 4,-0.8 -0.285 30.8-116.7 -54.4 135.4 8.2 43.5 66.3 446 449 A E H >> S+ 0 0 118 1,-0.3 4,-1.3 2,-0.2 3,-0.6 0.749 109.1 63.0 -45.5 -40.3 8.6 46.6 68.4 447 450 A E H 34 S+ 0 0 59 1,-0.2 8,-2.7 2,-0.2 -1,-0.3 0.802 105.9 44.7 -59.6 -31.8 10.9 44.9 71.0 448 451 A Y H <4 S+ 0 0 16 -3,-1.9 -1,-0.2 6,-0.2 -2,-0.2 0.629 119.2 41.5 -86.9 -17.6 13.6 44.2 68.4 449 452 A K H << S+ 0 0 35 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.434 82.7 120.6-111.9 0.0 13.5 47.7 66.8 450 453 A R < - 0 0 91 -4,-1.3 -404,-0.2 -5,-0.2 -303,-0.0 -0.307 64.0-129.9 -66.0 149.6 13.2 49.9 69.9 451 454 A D S S+ 0 0 64 2,-0.1 2,-0.6 -304,-0.1 -1,-0.1 0.873 88.9 61.0 -70.7 -40.3 15.9 52.5 70.4 452 455 A L S S- 0 0 131 1,-0.2 -2,-0.1 0, 0.0 -1,-0.1 -0.805 126.3 -27.2 -95.6 123.0 16.7 51.8 74.0 453 456 A N S S- 0 0 127 -2,-0.6 -1,-0.2 1,-0.1 -2,-0.1 0.873 78.4-152.7 46.2 58.9 18.0 48.3 74.9 454 457 A P - 0 0 30 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 -0.257 22.6-102.2 -62.4 146.4 16.3 46.4 72.1 455 458 A Q - 0 0 95 -8,-2.7 2,-0.4 1,-0.1 -5,-0.0 -0.401 45.4 -99.4 -56.3 145.0 15.5 42.7 72.7 456 459 A K - 0 0 167 -3,-0.1 -1,-0.1 -2,-0.1 -410,-0.1 -0.605 34.7-126.9 -76.7 125.6 18.0 40.4 71.1 457 460 A Y - 0 0 20 -2,-0.4 -1,-0.1 -411,-0.3 -82,-0.1 -0.604 28.7-115.6 -74.9 120.4 16.6 39.0 67.8 458 461 A P + 0 0 30 0, 0.0 -82,-2.8 0, 0.0 2,-0.4 -0.358 32.7 179.1 -60.4 130.2 16.9 35.2 67.8 459 462 A V E +p 376 0D 17 -84,-0.2 2,-0.3 -2,-0.1 -82,-0.2 -0.889 19.8 179.5-124.4 101.1 19.2 33.7 65.2 460 463 A D E -p 377 0D 8 -84,-2.5 -82,-3.4 -2,-0.4 2,-0.3 -0.802 25.5-135.4-113.9 139.7 18.9 30.0 65.8 461 464 A L E -p 378 0D 8 -67,-0.4 -67,-0.4 -2,-0.3 -82,-0.2 -0.752 33.9-108.8 -89.0 140.4 20.6 27.0 64.1 462 465 A S > - 0 0 0 -84,-2.7 4,-3.1 -2,-0.3 5,-0.3 -0.233 32.6-104.7 -60.8 157.5 18.4 24.0 63.3 463 466 A T H > S+ 0 0 59 -71,-0.3 4,-2.7 1,-0.2 5,-0.2 0.916 124.1 46.8 -46.5 -46.2 18.9 20.9 65.4 464 467 A D H > S+ 0 0 83 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.917 112.7 46.6 -67.0 -46.3 20.6 19.4 62.3 465 468 A C H > S+ 0 0 0 2,-0.2 4,-1.7 -87,-0.2 -1,-0.2 0.903 115.1 47.2 -62.6 -43.4 22.8 22.4 61.5 466 469 A W H X S+ 0 0 60 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.917 112.5 49.1 -65.7 -46.1 23.9 22.7 65.2 467 470 A N H X S+ 0 0 59 -4,-2.7 4,-2.7 -5,-0.3 5,-0.2 0.891 109.3 53.2 -61.7 -39.7 24.7 19.0 65.5 468 471 A H H X S+ 0 0 87 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.900 110.8 47.2 -60.1 -43.4 26.7 19.1 62.3 469 472 A K H X S+ 0 0 12 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.938 115.2 43.7 -63.1 -48.7 28.8 22.0 63.6 470 473 A M H X S+ 0 0 45 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.881 113.2 51.0 -72.9 -37.2 29.4 20.4 67.0 471 474 A N H X S+ 0 0 94 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.917 113.1 45.5 -61.3 -45.2 30.2 16.9 65.6 472 475 A L H X S+ 0 0 28 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.924 113.2 50.2 -63.7 -43.6 32.7 18.4 63.1 473 476 A L H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.914 112.3 47.6 -59.0 -45.8 34.2 20.5 65.9 474 477 A E H X S+ 0 0 127 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.912 110.9 52.2 -58.5 -46.9 34.5 17.5 68.1 475 478 A K H X S+ 0 0 97 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.859 112.6 43.6 -60.6 -41.6 36.0 15.4 65.3 476 479 A V H X S+ 0 0 32 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.883 111.3 53.6 -73.3 -38.9 38.7 18.0 64.6 477 480 A R H < S+ 0 0 99 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.761 112.9 45.1 -64.7 -27.4 39.5 18.6 68.3 478 481 A K H >< S+ 0 0 122 -4,-1.4 3,-0.8 2,-0.2 4,-0.3 0.720 108.9 55.2 -88.6 -27.7 40.0 14.9 68.6 479 482 A D H >< S+ 0 0 74 -4,-1.4 3,-0.8 1,-0.2 -2,-0.2 0.823 107.3 51.1 -66.9 -31.8 42.1 14.8 65.4 480 483 A V T 3< S+ 0 0 105 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.281 85.3 90.4 -87.3 7.6 44.3 17.4 67.0 481 484 A K T < 0 0 182 -3,-0.8 -1,-0.2 -5,-0.1 -2,-0.2 0.812 360.0 360.0 -73.0 -29.7 44.5 15.1 70.0 482 485 A H < 0 0 200 -3,-0.8 -2,-0.2 -4,-0.3 -3,-0.1 0.631 360.0 360.0-119.8 360.0 47.6 13.6 68.4