==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 28-FEB-11 3QWC . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.BIELA,A.HEINE,G.KLEBE . 290 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 61.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 26.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 21 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 0 0 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 4 0 4 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 0 1 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 1CL E > 0 0 78 0, 0.0 3,-1.3 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 156.4 15.0 19.0 17.9 2 1BL A T 3 + 0 0 93 1,-0.3 0, 0.0 0, 0.0 0, 0.0 0.723 360.0 52.4 -67.4 -19.9 13.2 21.6 20.0 3 1AL D T > S+ 0 0 70 144,-0.0 3,-1.3 2,-0.0 -1,-0.3 0.275 82.0 139.8 -99.2 9.0 10.0 20.0 18.7 4 1 L a T < + 0 0 20 -3,-1.3 143,-0.2 1,-0.2 144,-0.1 -0.147 64.2 15.1 -60.5 147.2 10.9 16.4 19.7 5 2 L G T 3 S+ 0 0 0 141,-2.9 237,-2.0 1,-0.2 2,-0.6 0.537 91.0 113.6 73.5 7.4 8.2 14.1 21.1 6 3 L L < - 0 0 30 -3,-1.3 -1,-0.2 140,-0.3 235,-0.1 -0.952 62.2-139.9-111.8 111.1 5.2 16.1 20.1 7 4 L R > > - 0 0 0 -2,-0.6 5,-2.4 1,-0.1 3,-1.4 -0.546 5.0-139.1 -80.9 133.4 3.2 14.2 17.4 8 5 L P T 3 5S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.844 103.8 42.1 -54.8 -36.8 1.8 16.2 14.5 9 6 L L T 3 5S+ 0 0 29 133,-0.4 31,-0.1 30,-0.3 -2,-0.1 0.466 130.6 20.0 -94.4 0.2 -1.5 14.2 14.6 10 7 L F T X>>S+ 0 0 14 -3,-1.4 5,-2.5 29,-0.1 3,-1.2 0.471 127.1 26.3-128.9 -86.5 -1.9 14.2 18.4 11 8 L E G >45S+ 0 0 31 1,-0.3 3,-1.1 3,-0.2 -5,-0.1 0.876 120.3 55.2 -52.3 -42.5 -0.1 16.6 20.7 12 9 L K G 34> S+ 0 0 39 2,-0.1 3,-1.2 1,-0.1 4,-0.8 0.424 85.3 100.7-130.2 5.4 -4.5 4.4 25.1 20 14CL E H >> S+ 0 0 15 -3,-0.5 4,-1.9 1,-0.3 3,-0.6 0.820 78.3 66.4 -64.5 -25.4 -2.1 7.1 26.3 21 14DL R H 3> S+ 0 0 135 -4,-0.4 4,-2.8 1,-0.2 -1,-0.3 0.840 91.6 62.5 -62.1 -31.6 -4.4 7.7 29.3 22 14EL E H <> S+ 0 0 45 -3,-1.2 4,-0.7 2,-0.2 -1,-0.2 0.873 105.2 47.3 -59.0 -38.5 -3.4 4.2 30.5 23 14FL L H XX S+ 0 0 1 -4,-0.8 3,-1.1 -3,-0.6 4,-0.7 0.958 111.4 49.0 -66.3 -51.5 0.2 5.4 30.7 24 14GL L H >< S+ 0 0 95 -4,-1.9 3,-1.5 1,-0.3 -2,-0.2 0.910 107.6 55.5 -55.9 -44.1 -0.7 8.6 32.6 25 14HL E H 3< S+ 0 0 131 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.755 103.6 55.8 -64.7 -20.7 -2.8 6.7 35.1 26 14IL S H << S+ 0 0 17 -3,-1.1 2,-1.7 -4,-0.7 -1,-0.3 0.621 84.4 86.2 -84.2 -13.2 0.2 4.5 35.9 27 14JL Y << 0 0 28 -3,-1.5 -1,-0.2 -4,-0.7 135,-0.0 -0.563 360.0 360.0 -89.2 74.9 2.4 7.5 36.8 28 14KL I 0 0 172 -2,-1.7 -2,-0.1 -3,-0.0 135,-0.1 -0.506 360.0 360.0 -91.4 360.0 1.2 7.6 40.4 29 !* 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 30 16 H I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 125.8 4.4 -7.6 19.3 31 17 H V B -A 222 0A 11 191,-2.9 191,-1.4 1,-0.2 143,-0.1 -0.822 360.0 -1.4 -99.5 132.2 2.3 -10.2 21.1 32 18 H E S S+ 0 0 131 141,-0.5 -1,-0.2 -2,-0.4 188,-0.2 0.777 101.6 123.8 62.5 29.7 -1.2 -9.3 22.4 33 19 H G - 0 0 27 -3,-0.4 2,-0.3 153,-0.1 153,-0.2 -0.169 53.9-120.5 -97.5-160.4 -1.0 -5.7 21.2 34 20 H S E -B 185 0B 61 151,-2.2 151,-2.4 -2,-0.1 2,-0.1 -0.908 34.5 -76.8-139.5 165.2 -3.3 -3.8 18.9 35 21 H D E -B 184 0B 109 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.435 52.1-117.9 -60.6 134.7 -3.1 -1.9 15.6 36 22 H A - 0 0 7 147,-3.0 2,-0.2 -2,-0.1 -1,-0.1 -0.346 24.0-116.3 -63.1 151.2 -1.4 1.5 15.9 37 23 H E > - 0 0 40 1,-0.1 3,-1.9 -2,-0.0 4,-0.3 -0.581 47.4 -82.6 -78.0 155.8 -3.4 4.6 15.0 38 24 H I T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.403 116.4 5.3 -60.5 131.8 -2.1 6.6 12.1 39 25 H G T 3 S+ 0 0 11 2,-0.1 -30,-0.3 55,-0.1 -1,-0.3 0.601 91.8 126.5 70.3 11.4 0.7 8.9 13.2 40 26 H M S < S+ 0 0 7 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.783 83.5 22.9 -70.3 -28.6 0.7 7.4 16.7 41 27 H S > + 0 0 13 -4,-0.3 3,-2.3 1,-0.1 -1,-0.3 -0.552 69.8 165.3-137.6 68.9 4.4 6.6 16.6 42 28 H P T 3 S+ 0 0 1 0, 0.0 103,-1.7 0, 0.0 51,-0.2 0.594 75.1 61.0 -72.6 -8.2 6.0 8.9 14.0 43 29 H W T 3 S+ 0 0 3 101,-0.2 18,-2.3 103,-0.1 104,-0.1 0.462 77.0 120.6 -87.2 -4.3 9.5 8.2 15.2 44 30 H Q E < -J 60 0C 2 -3,-2.3 49,-1.0 16,-0.2 50,-0.4 -0.383 43.7-169.7 -67.3 134.1 9.1 4.4 14.3 45 31 H V E -JK 59 92C 0 14,-2.4 14,-1.2 47,-0.2 2,-0.5 -0.951 14.9-145.9-125.1 141.2 11.7 3.2 11.9 46 32 H M E -JK 58 91C 0 45,-2.4 45,-2.6 -2,-0.4 2,-0.5 -0.955 10.9-145.3-104.4 123.3 11.9 -0.0 10.0 47 33 H L E -JK 57 90C 1 10,-2.7 9,-2.9 -2,-0.5 10,-1.2 -0.791 26.1-165.2 -81.9 127.8 15.4 -1.4 9.3 48 34 H F E -JK 55 89C 0 41,-3.0 41,-2.0 -2,-0.5 2,-0.3 -0.959 17.4-134.9-129.2 125.9 15.1 -3.1 5.9 49 35 H R E > -JK 54 88C 81 5,-3.0 5,-1.1 -2,-0.4 39,-0.2 -0.600 9.6-150.5 -77.4 136.2 17.4 -5.6 4.2 50 36 H K T 5S+ 0 0 42 37,-2.2 3,-0.2 -2,-0.3 -1,-0.1 0.904 77.5 56.9 -73.2 -43.8 18.1 -4.8 0.5 51 36AH S T 5S+ 0 0 97 36,-0.4 -1,-0.3 1,-0.4 2,-0.2 -0.915 121.1 13.1-146.4 115.3 18.6 -8.3 -0.6 52 37 H P T 5S- 0 0 70 0, 0.0 2,-0.6 0, 0.0 -1,-0.4 0.685 103.8-117.5 -71.2 166.8 16.6 -10.2 -0.1 53 38 H Q T 5 + 0 0 50 -3,-0.2 231,-0.3 -2,-0.2 2,-0.3 -0.616 59.7 141.5 -73.3 114.7 14.0 -7.5 0.7 54 39 H E E < -J 49 0C 84 -5,-1.1 -5,-3.0 -2,-0.6 2,-0.3 -0.996 57.9-102.4-154.7 147.3 13.1 -8.2 4.3 55 40 H L E +J 48 0C 34 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.586 36.8 175.4 -68.5 136.7 12.3 -6.6 7.6 56 41 H L E - 0 0 33 -9,-2.9 2,-0.3 1,-0.4 170,-0.2 0.748 53.2 -38.8-107.9 -43.4 15.3 -6.8 9.8 57 42 H b E -J 47 0C 3 -10,-1.2 -10,-2.7 170,-0.1 -1,-0.4 -0.971 54.8 -96.2-170.7 166.8 14.5 -4.8 12.9 58 43 H G E +J 46 0C 2 170,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.501 40.1 166.1 -91.4 176.9 12.8 -1.8 14.4 59 44 H A E -J 45 0C 0 -14,-1.2 -14,-2.4 -2,-0.2 2,-0.3 -0.923 24.9-116.2-173.0 178.5 14.5 1.5 15.2 60 45 H S E -JL 44 68C 0 8,-2.3 8,-2.7 -2,-0.3 2,-0.6 -0.992 13.7-123.5-141.6 149.8 13.7 5.1 16.1 61 46 H L E + L 0 67C 0 -18,-2.3 86,-2.3 -2,-0.3 6,-0.2 -0.771 29.6 167.2 -91.1 121.0 14.1 8.5 14.6 62 47 H I - 0 0 15 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.514 69.0 -7.8-113.2 -7.8 15.9 10.9 17.0 63 48 H S S S- 0 0 28 3,-1.1 3,-0.4 85,-0.1 -1,-0.3 -0.933 88.1 -79.6-166.2-178.4 16.7 13.8 14.6 64 49 H D S S+ 0 0 76 -2,-0.3 74,-2.4 1,-0.2 3,-0.1 0.613 129.0 24.8 -71.6 -7.3 16.5 14.5 10.9 65 50 H R S S+ 0 0 75 72,-0.2 69,-2.5 1,-0.1 2,-0.4 0.388 109.1 76.6-134.7 3.7 19.7 12.5 10.3 66 51 H W E - M 0 133C 8 -3,-0.4 -4,-2.4 67,-0.2 -3,-1.1 -0.970 48.1-173.1-127.4 135.0 20.1 10.0 13.2 67 52 H V E -LM 61 132C 0 65,-2.4 65,-2.5 -2,-0.4 2,-0.4 -0.974 13.1-147.9-125.5 135.6 18.3 6.7 13.9 68 53 H L E +LM 60 131C 0 -8,-2.7 -8,-2.3 -2,-0.4 2,-0.2 -0.829 29.2 147.7-104.6 137.5 18.7 4.7 17.1 69 54 H T E - M 0 130C 0 61,-2.6 61,-2.0 -2,-0.4 2,-0.3 -0.852 48.7 -73.3-149.8-174.4 18.5 0.9 17.2 70 55 H A > - 0 0 0 -12,-0.4 3,-1.3 -2,-0.2 4,-0.4 -0.730 33.1-134.0 -86.9 141.6 19.8 -2.3 19.0 71 56 H A G >> S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.3 3,-1.9 0.865 104.3 63.7 -60.2 -35.5 23.4 -3.3 18.3 72 57 H H G 34 S+ 0 0 14 1,-0.3 -1,-0.3 2,-0.2 156,-0.0 0.666 90.4 67.2 -69.7 -12.5 22.3 -6.9 17.9 73 58 H b G <4 S+ 0 0 1 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.762 117.4 24.3 -70.2 -25.6 20.2 -5.8 14.9 74 59 H L T <4 S+ 0 0 2 -3,-1.9 9,-2.4 -4,-0.4 2,-0.4 0.727 129.9 33.6-110.5 -32.6 23.5 -5.1 13.1 75 60 H L E < +P 82 0D 31 -4,-2.8 -1,-0.3 7,-0.2 7,-0.2 -0.964 54.9 137.5-137.7 116.4 26.1 -7.3 14.8 76 60AH Y E > > -P 81 0D 51 5,-3.1 3,-2.1 -2,-0.4 5,-1.9 -0.519 22.0-173.6-157.9 82.4 25.6 -10.7 16.3 77 60BH P G > 5S+ 0 0 47 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.750 80.0 68.9 -50.2 -36.8 28.4 -13.2 15.5 78 60CH P G 3 5S+ 0 0 70 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.805 111.0 35.8 -56.1 -26.4 26.7 -16.3 17.0 79 60DH W G < 5S- 0 0 178 -3,-2.1 3,-0.1 2,-0.1 0, 0.0 0.085 118.2-109.4-110.3 19.3 24.2 -16.0 14.1 80 60EH D T < 5 + 0 0 153 -3,-2.1 2,-0.6 1,-0.2 -5,-0.0 0.815 68.0 153.2 57.5 32.3 26.8 -14.9 11.5 81 60FH K E < +P 76 0D 44 -5,-1.9 -5,-3.1 2,-0.0 -1,-0.2 -0.844 5.8 138.8-100.5 120.1 25.2 -11.4 11.5 82 60GH N E -P 75 0D 124 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.2 -0.531 29.1-167.7-157.4 84.2 27.3 -8.5 10.6 83 60HH F - 0 0 28 -9,-2.4 2,-0.2 -2,-0.1 -2,-0.0 -0.495 6.0-151.5 -81.0 144.3 25.6 -5.9 8.4 84 60IH T > - 0 0 66 -2,-0.2 3,-1.8 1,-0.1 4,-0.5 -0.656 34.8 -99.6-104.1 166.5 27.4 -3.1 6.6 85 61 H E G > S+ 0 0 36 1,-0.3 3,-1.4 -2,-0.2 25,-0.4 0.885 121.7 55.0 -51.9 -43.3 25.9 0.3 5.7 86 62 H N G 3 S+ 0 0 104 1,-0.3 -1,-0.3 23,-0.1 -36,-0.0 0.591 97.1 65.9 -72.3 -9.0 25.3 -0.8 2.1 87 63 H D G < S+ 0 0 64 -3,-1.8 -37,-2.2 -37,-0.1 -36,-0.4 0.673 101.5 54.3 -80.2 -18.2 23.3 -3.9 3.2 88 64 H L E < -K 49 0C 1 -3,-1.4 22,-0.5 -4,-0.5 2,-0.3 -0.708 50.4-168.0-125.1 162.0 20.5 -1.8 4.6 89 65 H L E -KN 48 109C 0 -41,-2.0 -41,-3.0 -2,-0.2 2,-0.4 -0.952 20.1-137.5-133.9 158.7 17.9 0.9 4.3 90 66 H V E -KN 47 108C 0 18,-2.3 18,-2.9 -2,-0.3 2,-0.5 -0.963 12.9-156.0-113.1 140.4 15.7 2.6 6.9 91 67 H R E -KN 46 107C 0 -45,-2.6 -45,-2.4 -2,-0.4 2,-0.3 -0.971 14.2-168.8-119.1 121.5 12.1 3.2 6.1 92 68 H I E +KN 45 106C 0 14,-3.1 14,-2.4 -2,-0.5 -47,-0.2 -0.839 59.4 25.6-117.1 142.6 10.4 6.0 8.0 93 69 H G S S+ 0 0 8 -49,-1.0 -1,-0.2 -2,-0.3 2,-0.1 0.664 83.4 151.9 86.7 17.8 6.8 7.1 8.4 94 70 H K + 0 0 14 -50,-0.4 -1,-0.2 -3,-0.3 -55,-0.1 -0.395 27.5 163.7 -85.9 159.0 5.4 3.6 7.8 95 71 H H + 0 0 43 1,-0.3 88,-2.3 4,-0.2 -1,-0.1 0.468 65.0 68.4-130.9 -60.0 2.2 1.9 9.0 96 72 H S B S-Q 182 0E 13 86,-0.2 -1,-0.3 1,-0.1 86,-0.3 -0.401 72.5-143.8 -61.0 137.2 1.7 -1.1 6.8 97 73 H R S S+ 0 0 23 84,-2.5 -1,-0.1 83,-0.1 85,-0.1 0.936 91.8 17.1 -65.8 -48.4 4.4 -3.8 7.3 98 74 H T S S+ 0 0 19 83,-0.5 187,-2.8 186,-0.1 2,-0.2 0.691 100.5 93.6-106.1 -21.8 4.7 -5.0 3.7 99 75 H R S S- 0 0 151 185,-0.2 2,-0.8 1,-0.1 -4,-0.2 -0.500 75.0-120.9 -82.5 142.3 3.2 -2.3 1.4 100 76 H Y - 0 0 34 -2,-0.2 2,-1.8 186,-0.1 -1,-0.1 -0.728 28.9-144.2 -78.8 112.6 5.3 0.4 -0.2 101 77 H E >> - 0 0 29 -2,-0.8 4,-2.3 -5,-0.1 3,-2.1 -0.494 16.7-153.3 -89.3 76.7 3.5 3.5 1.2 102 77AH R T 34 S+ 0 0 183 -2,-1.8 4,-0.1 1,-0.3 -3,-0.0 -0.098 74.4 7.4 -53.6 137.4 3.8 5.9 -1.7 103 78 H N T 34 S+ 0 0 135 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.511 129.8 59.3 69.7 5.1 3.7 9.6 -0.8 104 79 H I T <4 S+ 0 0 59 -3,-2.1 -2,-0.2 1,-0.2 -1,-0.1 0.642 90.5 57.6-126.6 -60.2 3.9 8.7 2.9 105 80 H E < - 0 0 0 -4,-2.3 2,-0.4 -14,-0.0 -12,-0.2 -0.360 64.6-148.0 -75.3 156.2 7.0 6.7 3.8 106 81 H K E -N 92 0C 69 -14,-2.4 -14,-3.1 -3,-0.1 2,-0.5 -0.996 5.5-150.7-121.5 133.8 10.6 7.9 3.2 107 82 H I E -N 91 0C 8 -2,-0.4 2,-0.3 -16,-0.2 -16,-0.2 -0.915 18.5-170.0-108.0 124.8 13.3 5.4 2.4 108 83 H S E -N 90 0C 15 -18,-2.9 -18,-2.3 -2,-0.5 2,-0.2 -0.879 15.7-136.3-119.5 146.0 16.8 6.5 3.5 109 84 H M E -N 89 0C 55 -2,-0.3 26,-2.6 -20,-0.2 2,-0.4 -0.653 28.7-112.0 -94.9 156.5 20.3 5.2 2.9 110 85 H L E -O 134 0C 3 -22,-0.5 24,-0.2 -25,-0.4 3,-0.1 -0.753 23.5-175.4 -95.1 132.5 22.9 4.8 5.6 111 86 H E E S- 0 0 88 22,-3.4 2,-0.3 -2,-0.4 23,-0.2 0.876 73.8 -11.1 -82.2 -46.1 26.1 6.9 5.7 112 87 H K E -O 133 0C 89 21,-1.3 21,-2.8 -27,-0.1 2,-0.4 -0.987 54.3-140.1-159.8 144.0 27.6 5.2 8.7 113 88 H I E -O 132 0C 18 -2,-0.3 2,-0.4 19,-0.2 19,-0.2 -0.877 14.6-167.3-104.5 138.6 26.8 2.7 11.5 114 89 H Y E -O 131 0C 26 17,-2.9 17,-2.7 -2,-0.4 2,-0.4 -0.980 4.0-170.3-127.1 117.8 28.1 3.2 15.1 115 90 H I E -O 130 0C 50 -2,-0.4 15,-0.2 15,-0.2 13,-0.1 -0.857 38.7 -94.8-106.2 142.2 27.9 0.3 17.6 116 91 H H > - 0 0 21 13,-2.1 3,-1.7 -2,-0.4 13,-0.1 -0.296 31.4-134.2 -54.8 133.1 28.7 0.8 21.3 117 92 H P T 3 S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 10,-0.0 0.716 104.2 43.8 -67.0 -18.2 32.3 -0.1 21.8 118 93 H R T 3 S+ 0 0 164 9,-0.1 2,-0.2 2,-0.0 -2,-0.1 0.124 76.2 144.1-113.1 20.0 31.5 -2.2 24.9 119 94 H Y < - 0 0 18 -3,-1.7 2,-1.1 10,-0.1 8,-0.2 -0.419 44.5-143.3 -54.8 124.5 28.4 -4.0 23.5 120 95 H N B > +R 126 0F 39 6,-2.8 5,-2.3 1,-0.2 6,-0.6 -0.662 39.7 153.5-103.1 80.5 28.5 -7.5 25.0 121 96 H W T 5 + 0 0 64 -2,-1.1 -1,-0.2 1,-0.2 -2,-0.0 0.660 68.6 67.0 -79.7 -15.9 27.3 -9.9 22.3 122 97 H R T 5S+ 0 0 197 -3,-0.2 -1,-0.2 -45,-0.0 -2,-0.1 0.849 119.4 4.9 -72.6 -33.5 29.3 -12.7 23.8 123 97AH E T 5S- 0 0 110 -3,-0.3 -2,-0.1 3,-0.1 80,-0.0 0.778 131.0 -12.0-116.0 -75.8 27.3 -12.9 27.0 124 98 H N T 5S- 0 0 6 -4,-0.3 -3,-0.2 78,-0.1 81,-0.1 0.192 81.6-103.8-130.7 14.6 24.2 -10.9 27.8 125 99 H L > < + 0 0 20 -5,-2.3 3,-0.7 1,-0.2 -4,-0.2 0.765 53.8 179.1 63.8 25.1 23.7 -8.1 25.2 126 100 H D B 3 +R 120 0F 13 -6,-0.6 -6,-2.8 1,-0.2 -1,-0.2 -0.356 68.3 14.9 -56.4 136.6 24.9 -5.6 27.7 127 101 H R T 3 S- 0 0 47 -8,-0.2 2,-1.7 1,-0.2 -1,-0.2 0.936 80.2-178.6 60.5 49.8 25.0 -2.1 26.1 128 102 H D < + 0 0 1 -3,-0.7 2,-0.3 79,-0.2 -1,-0.2 -0.587 33.2 120.9 -83.7 80.7 22.8 -3.2 23.2 129 103 H I + 0 0 0 -2,-1.7 -13,-2.1 -59,-0.3 2,-0.3 -0.998 32.0 171.9-150.0 143.9 22.8 0.1 21.3 130 104 H A E -MO 69 115C 0 -61,-2.0 -61,-2.6 -2,-0.3 2,-0.4 -0.989 17.5-145.2-151.3 150.7 23.8 1.4 17.9 131 105 H L E -MO 68 114C 0 -17,-2.7 -17,-2.9 -2,-0.3 2,-0.4 -0.907 8.2-159.9-117.3 146.6 23.3 4.7 16.0 132 106 H M E -MO 67 113C 0 -65,-2.5 -65,-2.4 -2,-0.4 2,-0.5 -0.994 7.3-150.5-127.9 125.9 22.9 5.0 12.2 133 107 H K E -MO 66 112C 12 -21,-2.8 -22,-3.4 -2,-0.4 -21,-1.3 -0.839 19.1-133.3 -95.3 128.7 23.6 8.3 10.4 134 108 H L E - O 0 110C 0 -69,-2.5 -24,-0.2 -2,-0.5 4,-0.0 -0.465 10.9-128.2 -80.8 150.8 21.5 8.9 7.3 135 109 H K S S+ 0 0 87 -26,-2.6 -1,-0.1 1,-0.2 -25,-0.1 0.891 95.5 17.3 -62.5 -40.3 23.1 10.0 4.0 136 110 H K S S- 0 0 154 -27,-0.3 -1,-0.2 -72,-0.1 -27,-0.1 -0.974 93.1 -98.8-131.8 147.8 20.5 12.9 3.7 137 111 H P - 0 0 71 0, 0.0 2,-0.3 0, 0.0 -72,-0.2 -0.348 39.4-126.7 -61.7 143.2 18.3 14.5 6.3 138 112 H V - 0 0 10 -74,-2.4 2,-0.4 -75,-0.1 -30,-0.0 -0.715 20.1-117.9 -91.9 144.0 14.7 13.2 6.2 139 113 H A - 0 0 70 -2,-0.3 2,-0.1 1,-0.0 -1,-0.0 -0.677 27.3-127.0 -81.5 133.1 11.8 15.7 5.9 140 114 H F + 0 0 82 -2,-0.4 2,-0.2 3,-0.1 5,-0.2 -0.396 38.8 158.1 -75.5 157.6 9.4 15.7 8.8 141 115 H S - 0 0 47 3,-2.2 3,-0.5 -99,-0.1 -48,-0.0 -0.848 61.2 -69.8-158.3-172.2 5.7 15.3 8.1 142 116 H D S S+ 0 0 76 -2,-0.2 -133,-0.4 1,-0.2 3,-0.1 0.748 136.8 36.6 -61.5 -22.2 2.4 14.2 9.8 143 117 H Y S S+ 0 0 76 1,-0.2 2,-0.4 -39,-0.1 -1,-0.2 0.465 112.6 60.4-110.6 -7.7 3.9 10.7 9.8 144 118 H I + 0 0 1 -3,-0.5 -3,-2.2 -52,-0.1 -101,-0.2 -0.978 60.4 134.2-133.4 113.7 7.6 11.4 10.4 145 119 H H - 0 0 7 -103,-1.7 -84,-0.2 -2,-0.4 2,-0.1 -0.950 47.8-108.0-163.6 140.0 8.8 13.1 13.6 146 120 H P - 0 0 0 0, 0.0 -141,-2.9 0, 0.0 -140,-0.3 -0.364 23.6-133.7 -78.9 152.3 11.6 12.5 16.1 147 121 H V - 0 0 2 -86,-2.3 2,-0.2 -143,-0.2 96,-0.2 -0.609 28.5-107.2 -94.8 157.6 11.1 11.2 19.7 148 122 H a B -c 243 0B 4 94,-2.1 96,-2.9 -2,-0.2 -85,-0.1 -0.603 20.2-134.1 -82.9 150.1 12.9 12.9 22.6 149 123 H L - 0 0 33 -2,-0.2 96,-0.1 94,-0.2 2,-0.1 -0.855 34.8-106.2 -97.9 141.3 15.9 11.4 24.5 150 124 H P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 120,-0.1 -0.344 21.9-145.3 -72.1 141.8 15.6 11.5 28.3 151 125 H D > - 0 0 50 -2,-0.1 4,-2.4 1,-0.0 5,-0.2 -0.477 40.5 -94.4 -85.3 171.8 17.6 13.9 30.6 152 126 H R H > S+ 0 0 164 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.882 124.5 50.6 -56.2 -41.5 18.6 12.7 34.0 153 127 H E H > S+ 0 0 125 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.898 110.0 47.0 -68.3 -43.2 15.6 14.2 35.7 154 128 H T H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.931 113.9 49.9 -65.2 -42.5 13.0 12.7 33.3 155 129 H A H X S+ 0 0 6 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.927 110.9 48.7 -59.0 -47.0 14.7 9.3 33.6 156 129AH A H < S+ 0 0 73 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.895 115.5 45.1 -62.4 -39.2 14.7 9.5 37.4 157 129BH S H < S+ 0 0 42 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.880 122.8 30.9 -72.0 -39.7 11.0 10.5 37.5 158 129CH L H < S+ 0 0 1 -4,-2.5 2,-2.3 1,-0.2 -2,-0.2 0.756 94.3 83.0 -98.0 -27.8 9.6 8.0 35.0 159 130 H L < + 0 0 37 -4,-2.3 2,-0.4 -5,-0.3 -1,-0.2 -0.444 66.2 128.0 -83.1 71.1 11.7 4.8 35.2 160 131 H Q > - 0 0 81 -2,-2.3 3,-1.9 -3,-0.1 30,-0.4 -0.964 68.8 -93.0-128.2 142.7 9.9 3.4 38.2 161 132 H A T 3 S+ 0 0 51 -2,-0.4 30,-0.2 1,-0.2 3,-0.1 -0.249 112.9 23.7 -52.9 132.8 8.4 -0.1 38.8 162 133 H G T 3 S+ 0 0 39 28,-2.9 -1,-0.2 1,-0.4 2,-0.2 -0.056 91.2 118.8 99.3 -32.3 4.7 -0.0 37.9 163 134 H Y < - 0 0 26 -3,-1.9 27,-3.0 26,-0.1 -1,-0.4 -0.469 60.4-132.6 -67.6 137.7 5.0 3.0 35.5 164 135 H K E -D 189 0B 34 -141,-0.4 2,-0.2 25,-0.3 -138,-0.1 -0.718 23.7-177.6-100.3 144.4 4.0 2.0 32.0 165 136 H G E -D 188 0B 0 23,-2.6 23,-2.4 -2,-0.3 2,-0.4 -0.664 25.6-114.3-120.5-177.3 5.7 2.6 28.7 166 137 H R E -DE 187 233B 6 67,-2.6 67,-2.7 21,-0.2 2,-0.4 -0.975 20.0-164.0-128.9 132.8 4.7 1.8 25.1 167 138 H V E -DE 186 232B 0 19,-2.9 19,-2.2 -2,-0.4 2,-0.3 -0.939 10.2-174.8-116.9 142.0 6.4 -0.6 22.7 168 139 H T E +D 185 0B 3 63,-0.9 2,-0.3 -2,-0.4 17,-0.2 -0.946 16.2 125.0-135.7 149.8 5.8 -0.7 19.0 169 140 H G E -D 184 0B 1 15,-1.8 15,-2.2 -2,-0.3 58,-0.2 -0.947 56.8-114.0 173.5 171.4 6.9 -2.9 16.1 170 141 H W S S+ 0 0 5 56,-0.4 57,-0.1 -2,-0.3 3,-0.1 0.062 71.9 124.8-107.5 19.4 6.1 -5.1 13.1 171 142 H G - 0 0 2 1,-0.2 55,-0.3 53,-0.1 54,-0.1 -0.036 69.9 -48.3 -75.1-179.3 7.5 -8.2 14.7 172 143 H N - 0 0 35 53,-2.8 7,-0.2 1,-0.1 -1,-0.2 -0.097 37.6-143.1 -53.7 143.6 5.9 -11.6 15.3 173 144 H L S S+ 0 0 52 5,-2.7 -141,-0.5 1,-0.1 2,-0.3 0.590 83.8 12.4 -82.7 -13.9 2.4 -11.8 16.8 174 145 H K S S- 0 0 129 4,-0.5 -1,-0.1 -143,-0.1 51,-0.1 -0.986 78.7-107.1-157.7 161.9 3.2 -14.9 18.7 175 146 H E 0 0 75 79,-0.4 -1,-0.1 -2,-0.3 50,-0.1 0.898 360.0 360.0 -59.6 -42.9 6.2 -17.0 19.8 176 147 H T 0 0 162 78,-0.1 -1,-0.1 -3,-0.1 -3,-0.1 0.363 360.0 360.0-147.1 360.0 5.2 -19.8 17.3 177 ! 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 0.0 178 150 H G 0 0 73 0, 0.0 -5,-2.7 0, 0.0 -4,-0.5 0.000 360.0 360.0 360.0 -69.1 2.0 -14.9 12.3 179 151 H Q - 0 0 110 -7,-0.2 -7,-0.1 -6,-0.1 2,-0.1 -0.894 360.0-114.0-117.4 148.5 3.0 -11.5 11.1 180 152 H P - 0 0 4 0, 0.0 -83,-0.1 0, 0.0 3,-0.1 -0.434 5.9-140.5 -83.0 153.3 0.9 -8.3 11.4 181 153 H S S S+ 0 0 92 -2,-0.1 -84,-2.5 1,-0.1 -83,-0.5 0.856 86.6 13.2 -74.6 -36.7 -0.6 -6.3 8.6 182 154 H V B S-Q 96 0E 20 -86,-0.3 -86,-0.2 -85,-0.1 -1,-0.1 -0.875 104.2 -57.9-135.5 169.3 0.3 -3.0 10.2 183 155 H L - 0 0 6 -88,-2.3 -147,-3.0 -2,-0.3 2,-0.3 -0.139 53.9-144.3 -46.6 132.3 2.4 -1.5 13.1 184 156 H Q E -BD 35 169B 14 -15,-2.2 -15,-1.8 -149,-0.2 2,-0.3 -0.755 12.6-164.1-105.0 151.8 1.5 -3.0 16.5 185 157 H V E +BD 34 168B 3 -151,-2.4 -151,-2.2 -2,-0.3 2,-0.3 -0.986 10.0 172.8-134.5 140.9 1.4 -1.2 19.9 186 158 H V E - D 0 167B 13 -19,-2.2 -19,-2.9 -2,-0.3 2,-0.4 -0.983 22.7-140.5-147.3 141.4 1.3 -2.5 23.5 187 159 H N E + D 0 166B 10 -2,-0.3 -21,-0.2 -21,-0.2 -23,-0.0 -0.876 27.1 179.3-100.9 133.9 1.6 -0.7 26.8 188 160 H L E - D 0 165B 0 -23,-2.4 -23,-2.6 -2,-0.4 2,-0.3 -0.991 24.7-120.8-137.9 141.0 3.7 -2.5 29.5 189 161 H P E - D 0 164B 7 0, 0.0 23,-2.7 0, 0.0 -25,-0.3 -0.571 29.7-112.4 -85.2 143.8 4.7 -1.7 33.1 190 162 H I B -F 211 0B 11 -27,-3.0 -28,-2.9 -30,-0.4 2,-0.3 -0.464 36.0-135.8 -65.7 140.3 8.3 -1.5 34.2 191 163 H V - 0 0 8 19,-2.6 19,-0.4 -30,-0.2 -30,-0.1 -0.775 20.1 -98.9-107.1 145.7 9.2 -4.3 36.6 192 164 H E >> - 0 0 77 -2,-0.3 4,-2.0 1,-0.1 3,-0.8 -0.326 35.6-119.2 -58.7 142.5 11.1 -4.2 39.9 193 165 H R H 3> S+ 0 0 77 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.845 110.1 55.3 -56.3 -41.9 14.8 -5.1 39.4 194 166 H P H 3> S+ 0 0 85 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.871 109.4 48.2 -61.4 -34.5 14.7 -8.1 41.8 195 167 H V H <> S+ 0 0 40 -3,-0.8 4,-0.7 2,-0.2 -2,-0.2 0.919 110.0 51.7 -70.6 -44.3 11.8 -9.6 39.9 196 168 H c H >< S+ 0 0 4 -4,-2.0 3,-1.2 1,-0.2 4,-0.2 0.957 113.4 45.0 -52.6 -52.9 13.6 -9.1 36.5 197 169 H K H >< S+ 0 0 96 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.884 110.4 53.0 -61.6 -40.6 16.7 -10.8 37.9 198 170 H D H 3< S+ 0 0 145 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.522 99.9 65.1 -74.4 -5.4 14.7 -13.7 39.5 199 171 H S T << S+ 0 0 17 -3,-1.2 2,-0.3 -4,-0.7 -1,-0.2 0.472 106.5 34.6 -91.5 -4.7 13.0 -14.5 36.1 200 172 H T < - 0 0 18 -3,-1.2 4,-0.1 -4,-0.2 -1,-0.0 -0.959 60.5-137.4-151.7 156.9 16.1 -15.5 34.3 201 173 H R S S+ 0 0 245 -2,-0.3 2,-0.1 2,-0.1 -1,-0.1 0.568 78.1 104.2 -93.7 -11.3 19.5 -17.2 34.5 202 174 H I S S- 0 0 55 1,-0.1 2,-0.6 -78,-0.0 -2,-0.1 -0.415 83.6-108.8 -69.8 142.9 21.0 -14.4 32.4 203 175 H R - 0 0 120 -2,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.644 34.8-151.4 -75.2 115.5 23.2 -11.8 34.1 204 176 H I - 0 0 15 -2,-0.6 2,-0.2 -4,-0.1 -7,-0.0 -0.656 12.0-161.1 -89.3 142.2 21.2 -8.5 34.2 205 177 H T > - 0 0 12 -2,-0.3 3,-1.6 -81,-0.1 -78,-0.0 -0.743 35.6-103.2-118.4 169.7 23.2 -5.2 34.3 206 178 H D T 3 S+ 0 0 94 1,-0.3 62,-0.1 -2,-0.2 -2,-0.0 0.611 116.3 69.1 -64.4 -13.1 22.4 -1.6 35.2 207 179 H N T 3 S+ 0 0 6 61,-0.1 58,-2.7 57,-0.1 2,-0.3 0.263 97.5 61.7 -90.7 11.1 22.2 -0.9 31.4 208 180 H M E < - G 0 264B 3 -3,-1.6 2,-0.3 56,-0.3 56,-0.2 -0.949 56.1-175.7-130.6 153.0 19.0 -2.9 31.2 209 181 H F E - G 0 263B 9 54,-2.1 54,-3.1 -2,-0.3 2,-0.3 -0.948 17.1-138.0-137.4 164.6 15.5 -2.8 32.5 210 182 H c E - G 0 262B 0 -19,-0.4 -19,-2.6 -2,-0.3 2,-0.3 -0.881 16.2-174.9-124.1 155.3 12.6 -5.2 32.1 211 183 H A E +FG 190 261B 0 50,-2.0 50,-2.0 -2,-0.3 -21,-0.2 -0.992 26.5 94.2-146.0 152.1 8.9 -4.7 31.5 212 184 H G - 0 0 4 -23,-2.7 2,-0.2 -2,-0.3 10,-0.1 -0.697 65.6 -69.7 146.4 164.0 5.8 -6.8 31.3 213 184AH Y - 0 0 26 8,-0.4 45,-0.3 -2,-0.2 46,-0.1 -0.554 44.4-120.4 -81.2 148.2 2.9 -8.0 33.4 214 185 H K > - 0 0 48 -2,-0.2 3,-1.7 43,-0.1 4,-0.4 -0.483 32.1-104.7 -78.5 156.6 3.3 -10.6 36.1 215 186 H P G > S+ 0 0 73 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.841 121.2 48.3 -51.9 -38.4 1.3 -13.9 35.8 216 186AH D G 3 S+ 0 0 141 1,-0.2 3,-0.1 2,-0.0 -3,-0.0 0.534 92.4 79.4 -84.3 -4.8 -1.2 -12.9 38.4 217 186BH E G < S- 0 0 85 -3,-1.7 2,-1.7 1,-0.1 -1,-0.2 0.602 87.3-144.5 -79.0 -10.5 -1.8 -9.5 36.8 218 186CH G < + 0 0 60 -3,-0.8 -1,-0.1 -4,-0.4 -5,-0.0 -0.433 68.3 83.4 86.5 -67.6 -4.1 -10.9 34.2 219 186DH K - 0 0 113 -2,-1.7 2,-0.2 1,-0.1 -2,-0.1 -0.250 59.8-175.1 -69.7 161.7 -3.3 -8.8 31.2 220 187 H R + 0 0 88 -188,-0.2 2,-0.1 -3,-0.1 -1,-0.1 -0.646 18.3 142.7-143.2-162.7 -0.3 -9.6 29.0 221 188 H G + 0 0 5 -2,-0.2 -8,-0.4 -8,-0.1 2,-0.3 -0.371 12.5 175.8 128.6 147.7 1.9 -8.5 26.1 222 189 H D B -A 31 0A 10 -191,-1.4 -191,-2.9 -2,-0.1 2,-0.2 -0.977 34.4 -97.9-169.4 160.1 5.5 -8.5 25.0 223 190 H A - 0 0 11 -2,-0.3 32,-0.3 -193,-0.2 2,-0.2 -0.469 44.1-174.1 -76.9 165.3 7.9 -7.7 22.2 224 191 H d > - 0 0 11 -2,-0.2 3,-2.4 30,-0.1 4,-0.4 -0.834 38.9 -40.7-147.8-178.4 8.9 -10.6 20.0 225 192 H E T 3 S+ 0 0 143 1,-0.3 -53,-2.8 -2,-0.2 -51,-0.1 -0.270 127.2 30.3 -48.3 133.8 11.3 -11.5 17.1 226 193 H G T 3 S+ 0 0 15 -55,-0.3 -56,-0.4 -170,-0.2 -1,-0.3 0.097 102.1 81.8 96.8 -22.7 11.3 -8.6 14.6 227 194 H D X + 0 0 0 -3,-2.4 3,-2.2 -58,-0.2 21,-0.3 0.620 62.2 125.6 -87.3 -17.8 10.6 -6.0 17.2 228 195 H S T 3 S+ 0 0 24 -4,-0.4 -170,-3.2 1,-0.3 21,-0.2 -0.072 72.0 21.1 -37.5 136.9 14.3 -5.8 18.2 229 196 H G T 3 S+ 0 0 0 19,-2.7 -1,-0.3 1,-0.3 -169,-0.1 0.193 94.1 125.8 86.6 -16.8 15.7 -2.3 18.1 230 197 H G < - 0 0 0 -3,-2.2 18,-2.8 1,-0.1 -1,-0.3 -0.170 63.1 -90.7 -71.3 170.9 12.3 -0.6 18.4 231 198 H P E - H 0 247B 0 0, 0.0 -63,-0.9 0, 0.0 2,-0.6 -0.585 16.4-155.0 -93.4 143.0 11.5 2.0 21.0 232 199 H F E -EH 167 246B 0 14,-2.5 14,-2.1 -2,-0.2 13,-2.0 -0.977 35.1-175.2-104.2 111.3 10.1 1.8 24.5 233 200 H V E -EH 166 244B 2 -67,-2.7 -67,-2.6 -2,-0.6 2,-0.3 -0.806 19.8-166.3-116.2 155.1 8.5 5.2 25.0 234 201 H M E - H 0 243B 0 9,-2.4 9,-2.9 -2,-0.3 2,-0.7 -0.988 22.2-128.1-134.8 146.4 6.8 7.1 27.9 235 202 H K E - H 0 242B 27 -2,-0.3 7,-0.2 7,-0.2 5,-0.1 -0.844 27.3-129.7 -98.0 114.1 4.8 10.3 27.8 236 203 H S > - 0 0 1 5,-2.9 4,-1.6 -2,-0.7 5,-0.2 -0.419 8.9-156.0 -63.2 127.4 6.1 12.8 30.3 237 204 H P T 4 S+ 0 0 48 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.575 91.0 62.4 -77.8 -7.8 3.3 14.1 32.5 238 204AH F T 4 S+ 0 0 144 3,-0.1 -2,-0.0 1,-0.1 -3,-0.0 0.853 126.6 4.8 -84.0 -40.2 5.4 17.2 33.1 239 204BH N T 4 S- 0 0 66 2,-0.2 3,-0.1 -3,-0.1 -1,-0.1 0.352 92.9-120.8-128.6 8.3 5.8 18.5 29.6 240 205 H N < + 0 0 93 -4,-1.6 2,-0.3 1,-0.2 -229,-0.1 0.741 68.0 132.9 57.2 28.9 3.5 16.2 27.6 241 206 H R - 0 0 61 -5,-0.2 -5,-2.9 -235,-0.1 2,-0.4 -0.839 58.2-117.2-107.5 149.4 6.4 15.0 25.4 242 207 H W E - H 0 235B 1 -237,-2.0 -94,-2.1 -2,-0.3 2,-0.4 -0.712 29.9-168.1 -86.5 132.5 7.3 11.5 24.4 243 208 H Y E -cH 148 234B 18 -9,-2.9 -9,-2.4 -2,-0.4 2,-0.9 -0.950 21.9-130.7-121.8 137.2 10.6 10.2 25.5 244 209 H Q E + H 0 233B 0 -96,-2.9 -11,-0.2 -2,-0.4 3,-0.1 -0.770 33.0 166.1 -88.2 108.1 12.4 7.0 24.4 245 210 H M E + 0 0 0 -13,-2.0 21,-1.9 -2,-0.9 22,-0.5 0.730 59.9 21.6 -92.8 -27.2 13.5 5.3 27.7 246 211 H G E -IH 265 232B 0 -14,-2.1 -14,-2.5 19,-0.2 2,-0.4 -0.913 57.1-140.0-139.3 167.1 14.3 1.9 26.2 247 212 H I E -IH 264 231B 0 17,-0.9 17,-2.4 -2,-0.3 2,-0.2 -0.996 40.4-107.2-124.3 132.2 15.3 -0.1 23.1 248 213 H V E +I 263 0B 9 -18,-2.8 -19,-2.7 -2,-0.4 15,-0.2 -0.429 55.1 156.9 -60.2 120.6 13.8 -3.6 22.6 249 214 H S E - 0 0 5 13,-2.1 2,-0.3 1,-0.3 14,-0.2 0.802 44.3 -22.2-116.4 -63.3 16.7 -5.9 23.3 250 215 H W E +I 262 0B 35 12,-1.7 12,-3.0 -22,-0.0 -1,-0.3 -0.980 41.8 174.8-155.5 164.4 16.0 -9.5 24.4 251 216 H G - 0 0 37 -2,-0.3 2,-0.8 10,-0.2 10,-0.1 -0.956 35.3-118.0-166.4 152.0 13.6 -11.9 25.8 252 217 H E S S- 0 0 60 8,-0.4 4,-0.3 -2,-0.3 2,-0.1 -0.865 89.7 -30.8-100.0 103.5 13.3 -15.7 26.4 253 219 H G S S- 0 0 22 -2,-0.8 2,-0.4 2,-0.1 3,-0.0 -0.286 91.7 -79.2 73.6-173.4 10.4 -16.7 24.3 254 220 H d S S- 0 0 18 1,-0.1 -79,-0.4 -2,-0.1 -30,-0.1 -0.995 96.8 -12.5-128.8 128.3 7.6 -14.1 23.8 255 221 H D S S+ 0 0 26 -2,-0.4 2,-0.3 -32,-0.3 -1,-0.1 0.831 83.4 162.8 56.7 38.4 4.8 -13.3 26.3 256 221AH R > - 0 0 123 -4,-0.3 3,-1.8 1,-0.1 -1,-0.2 -0.666 46.7-101.6 -84.5 143.5 5.6 -16.3 28.5 257 222 H D T 3 S+ 0 0 105 -2,-0.3 3,-0.1 1,-0.3 -43,-0.1 -0.419 107.8 16.0 -61.8 133.6 4.2 -16.3 32.0 258 223 H G T 3 S+ 0 0 30 1,-0.3 2,-0.3 -45,-0.3 -1,-0.3 0.452 108.1 100.6 81.6 -0.9 6.9 -15.4 34.6 259 224 H K < - 0 0 57 -3,-1.8 -1,-0.3 -46,-0.1 2,-0.3 -0.821 53.8-159.8-112.0 160.4 9.2 -14.0 31.9 260 225 H Y - 0 0 13 -2,-0.3 -8,-0.4 -64,-0.1 2,-0.3 -0.916 21.5-109.3-136.0 156.1 9.8 -10.3 31.0 261 226 H G E -G 211 0B 3 -50,-2.0 -50,-2.0 -2,-0.3 2,-0.4 -0.673 31.6-140.0 -85.2 144.4 11.1 -8.4 28.0 262 227 H F E -GI 210 250B 2 -12,-3.0 -13,-2.1 -2,-0.3 -12,-1.7 -0.895 16.9-167.3-111.9 139.6 14.5 -6.7 28.5 263 228 H Y E -GI 209 248B 2 -54,-3.1 -54,-2.1 -2,-0.4 2,-0.2 -0.948 27.6-110.2-127.1 138.7 15.2 -3.2 27.2 264 229 H T E -GI 208 247B 2 -17,-2.4 2,-1.2 -2,-0.4 -17,-0.9 -0.518 36.6-121.4 -63.8 133.2 18.5 -1.2 26.8 265 230 H H E > - I 0 246B 26 -58,-2.7 4,-0.8 -2,-0.2 3,-0.3 -0.646 27.7-167.7 -82.4 96.2 18.5 1.6 29.3 266 231 H V T >4 S+ 0 0 0 -21,-1.9 3,-1.0 -2,-1.2 4,-0.2 0.882 81.2 51.5 -59.8 -42.7 18.8 4.6 27.0 267 232 H F G >4 S+ 0 0 37 -22,-0.5 3,-1.7 1,-0.3 4,-0.3 0.898 103.3 58.5 -63.6 -38.0 19.6 7.2 29.6 268 233 H R G 34 S+ 0 0 115 -3,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.760 114.0 39.8 -60.7 -22.4 22.5 5.1 31.0 269 234 H L G XX S+ 0 0 6 -3,-1.0 4,-1.9 -4,-0.8 3,-0.6 0.262 82.5 106.4-110.4 11.2 24.1 5.2 27.6 270 235 H K H <> S+ 0 0 48 -3,-1.7 4,-2.8 1,-0.2 5,-0.2 0.782 72.1 63.1 -64.7 -27.4 23.3 8.8 26.7 271 236 H K H 3> S+ 0 0 84 -4,-0.3 4,-1.7 -3,-0.2 -1,-0.2 0.901 106.6 43.9 -65.8 -39.4 26.9 9.9 27.2 272 237 H W H <> S+ 0 0 32 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.913 112.7 53.1 -68.2 -43.6 28.0 7.6 24.4 273 238 H I H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.950 111.5 44.5 -55.7 -51.1 25.0 8.8 22.2 274 239 H Q H X S+ 0 0 78 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.875 111.4 54.5 -64.1 -36.7 25.9 12.4 22.7 275 240 H K H X S+ 0 0 138 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.918 109.9 46.5 -63.7 -44.9 29.6 11.7 22.1 276 241 H V H X S+ 0 0 6 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.943 115.9 43.9 -62.1 -49.9 28.9 10.0 18.7 277 242 H I H X S+ 0 0 37 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.904 114.5 50.2 -65.3 -39.1 26.5 12.8 17.5 278 243 H D H < S+ 0 0 114 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.891 117.6 39.9 -63.9 -38.6 28.9 15.5 18.7 279 244 H Q H < S+ 0 0 131 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.841 132.4 20.3 -81.7 -36.1 31.8 14.0 17.0 280 245 H F H < 0 0 82 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.448 360.0 360.0-117.5 -4.1 30.2 12.8 13.7 281 246 H G < 0 0 69 -4,-2.0 -4,-0.1 -5,-0.3 -215,-0.0 -0.416 360.0 360.0 -64.1 360.0 27.1 14.9 13.4 282 !* 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 0.0 283 555 I D 0 0 142 0, 0.0 2,-0.3 0, 0.0 -229,-0.1 0.000 360.0 360.0 360.0 -16.4 6.0 -11.0 1.1 284 556 I F - 0 0 39 -231,-0.3 2,-0.2 1,-0.1 -185,-0.2 -0.683 360.0-110.4 -92.9 142.5 7.0 -7.3 0.8 285 557 I E - 0 0 87 -187,-2.8 -1,-0.1 -2,-0.3 2,-0.0 -0.502 46.1 -99.5 -67.2 136.9 5.9 -5.0 -2.0 286 558 I E - 0 0 76 -2,-0.2 -186,-0.1 1,-0.1 -1,-0.1 -0.346 38.0-136.0 -59.5 133.7 8.9 -4.2 -4.2 287 559 I I - 0 0 9 1,-0.1 5,-0.1 -3,-0.1 -1,-0.1 -0.588 37.7 -75.8 -89.7 157.6 10.3 -0.7 -3.4 288 560 I P > - 0 0 33 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.248 39.9-126.3 -53.7 135.1 11.3 1.8 -6.1 289 561 I E G > S+ 0 0 173 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.724 102.1 77.6 -59.9 -22.4 14.6 0.8 -7.7 290 562 I E G > S+ 0 0 131 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.868 92.1 51.8 -53.6 -37.5 16.0 4.2 -7.0 291 563 I X G < S+ 0 0 62 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.628 103.1 57.8 -78.3 -13.5 16.5 3.2 -3.4 292 564 I L G < 0 0 67 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.407 360.0 360.0 -96.6 0.9 18.4 0.1 -4.3 293 565 I Q < 0 0 113 -3,-1.0 -3,-0.1 -4,-0.4 -2,-0.0 0.242 360.0 360.0 -92.0 360.0 21.1 2.0 -6.2