==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-JUN-12 4FGB . COMPND 2 MOLECULE: CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.ZHA,C.ZHONG,Y.OU,J.WANG,L.HAN,J.DING . 282 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 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 . 28 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 1 0 1 0 2 2 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 0 1 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 . 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 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 10 A W 0 0 108 0, 0.0 68,-0.1 0, 0.0 69,-0.1 0.000 360.0 360.0 360.0 66.2 134.4 1.0 163.3 2 11 A K E -a 69 0A 109 66,-0.9 68,-1.6 1,-0.1 2,-0.4 -0.082 360.0-137.3 -57.4 149.1 134.2 -2.3 165.2 3 12 A Q E +a 70 0A 118 66,-0.2 2,-0.3 68,-0.1 68,-0.2 -0.864 20.8 179.0-112.8 147.6 137.0 -3.3 167.6 4 13 A A - 0 0 12 66,-2.3 3,-0.2 -2,-0.4 68,-0.1 -0.987 26.1-155.0-147.5 134.3 138.5 -6.7 167.9 5 14 A E S S+ 0 0 110 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.920 95.1 15.4 -73.2 -45.0 141.4 -7.9 170.1 6 15 A D > - 0 0 70 1,-0.1 3,-1.4 64,-0.0 4,-0.3 -0.992 63.2-154.2-134.1 126.3 142.1 -10.8 167.7 7 16 A I G >> S+ 0 0 1 -2,-0.4 4,-2.5 1,-0.3 3,-0.9 0.746 97.4 64.3 -69.5 -24.7 140.7 -10.9 164.1 8 17 A R G 34 S+ 0 0 136 1,-0.2 -1,-0.3 2,-0.2 5,-0.0 0.584 94.7 61.6 -71.1 -12.6 141.0 -14.8 164.3 9 18 A D G <4 S+ 0 0 56 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.618 113.2 33.9 -87.5 -14.2 138.3 -14.7 167.0 10 19 A I T <4 S+ 0 0 41 -3,-0.9 21,-2.8 1,-0.3 22,-0.4 0.785 127.7 24.1-103.1 -43.3 135.8 -13.1 164.7 11 20 A Y E < -B 30 0A 5 -4,-2.5 2,-0.5 19,-0.3 -1,-0.3 -0.947 60.8-144.7-130.1 143.6 136.7 -14.7 161.4 12 21 A D E -B 29 0A 65 17,-2.4 17,-2.5 -2,-0.4 2,-0.2 -0.925 30.3-139.6-102.6 134.7 138.4 -17.8 160.2 13 22 A F E +B 28 0A 60 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.595 25.3 175.9 -97.0 153.6 140.5 -17.3 157.1 14 23 A R E - 0 0 119 13,-2.6 2,-0.3 1,-0.3 -1,-0.2 0.482 52.8 -39.8-111.9 -92.3 140.9 -19.5 154.1 15 24 A D E - 0 0 108 12,-0.0 12,-2.6 13,-0.0 -1,-0.3 -0.831 64.9 -69.6-141.2 174.6 143.1 -18.0 151.2 16 25 A V E -B 26 0A 54 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.474 27.2-175.1 -73.0 125.8 143.9 -14.9 149.2 17 26 A L E S- 0 0 81 8,-2.5 9,-0.2 -2,-0.3 -1,-0.2 0.701 80.3 -22.8 -84.8 -25.1 141.2 -13.6 146.8 18 27 A G E -B 25 0A 25 7,-1.5 7,-1.2 112,-0.0 -1,-0.2 -0.357 64.8-142.4 171.1 105.7 143.6 -11.0 145.5 19 28 A T E +B 24 0A 64 5,-0.2 5,-0.2 -3,-0.1 2,-0.2 -0.192 19.9 178.4 -67.2 161.1 146.7 -9.4 147.0 20 29 A G - 0 0 35 3,-2.7 -1,-0.1 1,-0.2 128,-0.1 -0.419 45.0 -70.3-132.8-144.1 147.6 -5.7 146.6 21 30 A A S S- 0 0 37 -2,-0.2 -1,-0.2 1,-0.1 131,-0.1 0.901 120.6 -1.8 -81.5 -91.4 150.5 -3.6 147.9 22 31 A F S S+ 0 0 109 129,-0.3 21,-0.9 -3,-0.1 2,-0.3 0.180 129.8 76.6 -81.0 16.7 150.2 -3.1 151.7 23 32 A S E - C 0 42A 15 19,-0.2 -3,-2.7 2,-0.0 2,-0.4 -0.959 55.5-168.6-138.2 144.9 146.9 -5.0 151.5 24 33 A E E -BC 19 41A 85 17,-1.7 17,-1.6 -2,-0.3 2,-0.6 -0.919 13.2-151.2-137.4 112.2 145.7 -8.6 151.2 25 34 A V E +BC 18 40A 8 -7,-1.2 -8,-2.5 -2,-0.4 -7,-1.5 -0.715 25.4 178.3 -79.2 118.2 142.1 -9.6 150.4 26 35 A I E -BC 16 39A 23 13,-2.2 13,-2.8 -2,-0.6 2,-0.3 -0.948 29.9-118.4-119.5 144.7 141.5 -13.0 152.1 27 36 A L E + C 0 38A 46 -12,-2.6 -13,-2.6 -2,-0.4 2,-0.3 -0.613 41.4 175.0 -78.0 139.0 138.2 -14.9 152.1 28 37 A A E -BC 13 37A 0 9,-3.2 9,-3.8 -2,-0.3 2,-0.4 -0.969 27.8-135.3-143.7 157.9 136.9 -15.5 155.6 29 38 A E E -BC 12 36A 44 -17,-2.5 -17,-2.4 -2,-0.3 2,-0.6 -0.962 31.1-114.9-114.8 133.4 134.0 -17.0 157.4 30 39 A D E >> -B 11 0A 31 5,-2.6 4,-3.3 -2,-0.4 3,-1.4 -0.565 25.3-143.5 -65.9 113.2 132.3 -15.2 160.3 31 40 A K T 34 S+ 0 0 87 -21,-2.8 -1,-0.2 -2,-0.6 -20,-0.1 0.846 93.4 34.6 -49.0 -46.0 133.0 -17.6 163.2 32 41 A R T 34 S+ 0 0 233 -22,-0.4 -1,-0.3 1,-0.1 -21,-0.1 0.212 131.4 27.6-107.2 16.3 129.6 -17.0 165.0 33 42 A T T <4 S- 0 0 94 -3,-1.4 -2,-0.2 2,-0.1 -1,-0.1 0.372 93.1-129.8-139.6 -13.2 127.3 -16.6 162.0 34 43 A Q < + 0 0 116 -4,-3.3 2,-0.5 1,-0.2 -3,-0.1 0.748 50.7 154.9 66.8 27.7 129.1 -18.6 159.3 35 44 A K - 0 0 141 -5,-0.3 -5,-2.6 1,-0.0 2,-0.4 -0.754 41.8-132.2 -88.4 126.4 128.9 -15.8 156.7 36 45 A L E +C 29 0A 79 -2,-0.5 45,-0.6 -7,-0.2 2,-0.3 -0.648 37.1 170.8 -78.7 129.5 131.5 -15.9 154.0 37 46 A V E -CD 28 80A 6 -9,-3.8 -9,-3.2 -2,-0.4 2,-0.5 -0.910 36.5-120.6-138.1 159.9 133.1 -12.5 153.6 38 47 A A E -CD 27 79A 5 41,-2.1 41,-3.7 -2,-0.3 2,-0.6 -0.921 29.9-157.6-101.5 127.8 136.0 -10.9 151.8 39 48 A I E -CD 26 78A 0 -13,-2.8 -13,-2.2 -2,-0.5 2,-1.0 -0.918 9.0-156.7-117.2 111.9 138.4 -9.2 154.2 40 49 A K E -CD 25 77A 4 37,-3.5 37,-3.7 -2,-0.6 2,-0.4 -0.756 19.6-163.9 -81.7 104.2 140.7 -6.4 153.1 41 50 A C E +CD 24 76A 19 -17,-1.6 -17,-1.7 -2,-1.0 2,-0.4 -0.783 11.3 176.5 -91.7 131.9 143.5 -6.5 155.6 42 51 A I E +CD 23 75A 6 33,-2.8 33,-2.9 -2,-0.4 2,-0.3 -1.000 7.0 178.6-135.1 138.2 145.9 -3.6 155.9 43 52 A A 0 0 35 -21,-0.9 31,-0.1 -2,-0.4 30,-0.0 -0.994 360.0 360.0-132.9 144.3 148.8 -2.8 158.3 44 53 A K 0 0 167 -2,-0.3 -1,-0.1 0, 0.0 29,-0.1 0.349 360.0 360.0-129.4 360.0 151.2 0.2 158.5 45 ! 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 46 62 A S > 0 0 117 0, 0.0 4,-0.7 0, 0.0 104,-0.1 0.000 360.0 360.0 360.0 -57.6 143.8 10.2 156.5 47 63 A M H > + 0 0 16 2,-0.2 4,-2.6 1,-0.2 3,-0.2 0.792 360.0 63.2 -80.9 -31.9 143.4 6.7 155.0 48 64 A E H > S+ 0 0 101 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.666 100.0 55.8 -64.5 -15.9 140.9 5.9 157.8 49 65 A N H > S+ 0 0 92 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.825 105.4 49.4 -81.1 -36.9 138.9 8.7 156.1 50 66 A E H X S+ 0 0 51 -4,-0.7 4,-2.4 -3,-0.2 -2,-0.2 0.964 114.7 45.2 -61.7 -51.5 139.0 6.9 152.8 51 67 A I H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.855 110.4 54.2 -59.5 -41.8 137.9 3.7 154.6 52 68 A A H X S+ 0 0 31 -4,-1.6 4,-0.8 2,-0.2 3,-0.4 0.954 110.9 45.2 -54.3 -54.1 135.2 5.7 156.5 53 69 A V H >X S+ 0 0 54 -4,-2.3 4,-0.9 1,-0.2 3,-0.8 0.864 109.6 56.7 -58.5 -40.0 133.8 7.0 153.2 54 70 A L H 3< S+ 0 0 2 -4,-2.4 11,-0.6 1,-0.3 3,-0.3 0.840 101.7 55.9 -60.0 -35.9 134.1 3.4 151.7 55 71 A H H 3< S+ 0 0 76 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.738 109.6 46.9 -68.0 -23.9 131.9 2.2 154.6 56 72 A K H << S+ 0 0 156 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.545 85.2 116.8 -94.6 -12.5 129.3 4.8 153.4 57 73 A I < + 0 0 6 -4,-0.9 8,-0.4 -3,-0.3 2,-0.4 -0.402 40.5 177.7 -55.5 123.1 129.7 3.7 149.8 58 74 A K + 0 0 181 -2,-0.2 5,-0.1 6,-0.1 6,-0.1 -0.903 18.5 132.7-135.3 107.6 126.3 2.3 148.6 59 75 A H > - 0 0 28 3,-0.4 3,-1.4 -2,-0.4 53,-0.0 -0.981 55.8-128.6-154.3 138.9 126.1 1.3 144.9 60 76 A P T 3 S+ 0 0 72 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.795 110.7 45.9 -58.6 -27.4 124.7 -1.8 143.2 61 77 A N T 3 S+ 0 0 12 47,-0.1 83,-2.9 82,-0.1 2,-0.4 0.356 102.1 74.8-102.4 4.3 128.0 -2.3 141.2 62 78 A I B < S-f 144 0B 2 -3,-1.4 -3,-0.4 81,-0.3 83,-0.2 -0.965 90.0-107.0-118.3 134.6 130.4 -1.8 144.1 63 79 A V - 0 0 0 81,-3.3 2,-0.4 -2,-0.4 -2,-0.1 -0.323 39.1-117.8 -54.1 130.5 131.0 -4.3 146.8 64 80 A A - 0 0 40 -4,-0.1 16,-2.9 1,-0.1 2,-1.2 -0.641 13.8-136.8 -76.7 127.0 129.4 -3.2 150.1 65 81 A L E - E 0 79A 8 -11,-0.6 14,-0.3 -2,-0.4 3,-0.1 -0.782 20.7-167.0 -80.3 96.9 132.0 -2.6 152.8 66 82 A D E - 0 0 89 12,-1.4 2,-0.3 -2,-1.2 -1,-0.2 0.899 57.5 -45.0 -56.6 -49.2 129.9 -4.4 155.5 67 83 A D E - E 0 78A 16 11,-1.3 11,-2.7 -3,-0.1 2,-0.4 -0.968 52.6-109.5-169.9 176.9 132.1 -3.0 158.3 68 84 A I E - E 0 77A 0 -2,-0.3 -66,-0.9 9,-0.2 2,-0.4 -0.954 21.3-156.8-123.0 137.8 135.6 -2.4 159.4 69 85 A Y E -aE 2 76A 22 7,-3.2 7,-3.6 -2,-0.4 2,-0.4 -0.924 4.1-157.3-112.7 140.6 137.6 -4.1 162.2 70 86 A E E -aE 3 75A 56 -68,-1.6 -66,-2.3 -2,-0.4 5,-0.2 -0.947 11.6-179.2-114.4 137.1 140.5 -2.7 164.1 71 87 A S - 0 0 22 3,-3.0 2,-1.3 -2,-0.4 -66,-0.1 -0.644 57.3 -90.7-132.2 79.4 143.1 -4.8 165.9 72 88 A G S S+ 0 0 72 1,-0.2 2,-0.6 -2,-0.2 -1,-0.1 -0.354 121.9 17.0 58.7 -90.4 145.6 -2.4 167.5 73 89 A G S S+ 0 0 62 -2,-1.3 -1,-0.2 -3,-0.1 2,-0.2 -0.691 122.4 64.3-110.5 74.3 148.0 -2.3 164.6 74 90 A H - 0 0 64 -2,-0.6 -3,-3.0 -31,-0.1 2,-0.4 -0.671 58.6-152.5 172.9 133.5 145.8 -3.7 161.8 75 91 A L E -DE 42 70A 22 -33,-2.9 -33,-2.8 -5,-0.2 2,-0.5 -0.958 8.8-162.3-117.0 138.6 142.6 -2.7 160.0 76 92 A Y E -DE 41 69A 11 -7,-3.6 -7,-3.2 -2,-0.4 2,-0.8 -0.951 4.8-157.2-125.7 110.6 140.3 -5.3 158.5 77 93 A L E -DE 40 68A 2 -37,-3.7 -37,-3.5 -2,-0.5 2,-1.0 -0.790 11.2-151.0 -90.3 107.7 137.8 -4.1 155.9 78 94 A I E -DE 39 67A 0 -11,-2.7 -12,-1.4 -2,-0.8 -11,-1.3 -0.702 20.8-171.9 -84.5 103.7 135.0 -6.6 155.8 79 95 A M E -DE 38 65A 1 -41,-3.7 -41,-2.1 -2,-1.0 -14,-0.2 -0.608 34.0 -95.5 -95.4 152.2 133.6 -6.6 152.2 80 96 A Q E -D 37 0A 41 -16,-2.9 2,-0.4 -2,-0.2 -43,-0.1 -0.495 47.2-119.3 -59.0 126.7 130.6 -8.2 150.9 81 97 A L - 0 0 42 -45,-0.6 2,-0.6 -2,-0.2 -1,-0.1 -0.644 26.0-159.0 -76.6 131.6 131.8 -11.5 149.3 82 98 A V + 0 0 8 -2,-0.4 3,-0.4 63,-0.1 53,-0.1 -0.906 18.0 169.9-119.6 103.2 131.1 -11.5 145.6 83 99 A S + 0 0 78 51,-0.7 51,-0.2 -2,-0.6 52,-0.1 0.012 42.9 105.8-112.3 28.3 131.1 -15.0 144.2 84 100 A G S S- 0 0 0 49,-2.4 50,-0.2 1,-0.3 -1,-0.2 0.701 88.9-102.2 -78.1 -19.2 129.7 -14.8 140.7 85 101 A G E -G 133 0B 27 48,-0.5 48,-2.7 -3,-0.4 -1,-0.3 -0.370 45.0 -53.1 118.2 162.5 133.1 -15.3 139.3 86 102 A E E > -G 132 0B 82 46,-0.2 4,-2.4 -2,-0.1 5,-0.2 -0.398 53.5-114.2 -68.6 147.9 135.9 -13.2 137.7 87 103 A L H > S+ 0 0 2 44,-1.8 4,-1.7 41,-0.9 5,-0.1 0.931 115.1 40.2 -47.2 -56.7 134.8 -11.0 134.8 88 104 A F H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.862 111.3 57.0 -68.1 -40.0 136.9 -12.9 132.2 89 105 A D H > S+ 0 0 76 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.909 110.9 44.5 -53.3 -44.3 136.2 -16.3 133.6 90 106 A R H X S+ 0 0 10 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.761 108.1 56.4 -79.3 -26.4 132.4 -15.6 133.2 91 107 A I H < S+ 0 0 0 -4,-1.7 3,-0.4 -5,-0.2 -1,-0.2 0.934 109.2 48.3 -64.6 -45.2 132.9 -14.2 129.7 92 108 A V H < S+ 0 0 32 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.868 108.7 53.8 -57.0 -41.6 134.6 -17.5 128.8 93 109 A E H < S+ 0 0 142 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.773 93.4 96.1 -67.8 -28.9 131.7 -19.4 130.3 94 110 A K < - 0 0 42 -4,-1.2 3,-0.1 -3,-0.4 -3,-0.0 0.006 57.0-160.1 -55.4 161.6 129.1 -17.5 128.2 95 111 A G S S+ 0 0 60 1,-0.2 2,-0.8 176,-0.0 176,-0.2 0.729 84.4 39.9-101.4 -57.2 127.6 -18.7 125.0 96 112 A F S S+ 0 0 118 175,-0.1 2,-0.5 174,-0.1 -1,-0.2 -0.834 71.6 167.8-101.2 103.5 126.3 -15.5 123.5 97 113 A Y + 0 0 0 -2,-0.8 173,-2.8 -3,-0.1 174,-0.8 -0.972 7.4 164.1-121.8 123.0 128.8 -12.6 124.1 98 114 A T > - 0 0 2 -2,-0.5 4,-2.4 171,-0.2 169,-0.1 -0.717 54.5 -99.7-128.3 172.2 128.5 -9.3 122.3 99 115 A E H > S+ 0 0 1 167,-0.6 4,-3.5 169,-0.5 5,-0.2 0.860 124.2 59.8 -56.2 -39.4 129.6 -5.7 122.4 100 116 A R H > S+ 0 0 32 166,-1.5 4,-2.9 2,-0.2 -1,-0.2 0.917 105.5 47.2 -57.2 -44.1 126.2 -5.0 124.0 101 117 A D H > S+ 0 0 42 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.951 115.3 45.0 -59.9 -50.9 127.3 -7.4 126.8 102 118 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.857 113.5 50.6 -60.3 -38.2 130.7 -5.7 127.1 103 119 A S H X S+ 0 0 11 -4,-3.5 4,-3.0 2,-0.2 -2,-0.2 0.912 111.2 47.9 -66.4 -42.8 128.9 -2.3 126.9 104 120 A R H X S+ 0 0 163 -4,-2.9 4,-1.3 -5,-0.2 -2,-0.2 0.804 114.1 48.3 -67.1 -32.3 126.5 -3.3 129.7 105 121 A L H X S+ 0 0 8 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.918 114.5 44.0 -69.8 -46.8 129.5 -4.6 131.7 106 122 A I H X S+ 0 0 0 -4,-3.0 4,-3.7 2,-0.2 5,-0.3 0.894 108.8 57.7 -64.9 -41.8 131.5 -1.4 131.1 107 123 A F H X S+ 0 0 91 -4,-3.0 4,-3.3 1,-0.2 5,-0.3 0.923 107.0 49.7 -55.2 -44.8 128.4 0.8 131.9 108 124 A Q H X S+ 0 0 19 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.912 113.9 43.2 -61.6 -44.4 128.2 -0.9 135.2 109 125 A V H X S+ 0 0 1 -4,-1.8 4,-3.1 2,-0.2 5,-0.2 0.939 116.4 49.0 -67.4 -45.1 131.9 -0.3 136.0 110 126 A L H X S+ 0 0 0 -4,-3.7 4,-2.8 2,-0.2 -2,-0.2 0.920 112.4 46.5 -58.5 -49.0 131.7 3.3 134.7 111 127 A D H X S+ 0 0 39 -4,-3.3 4,-1.7 -5,-0.3 -1,-0.2 0.864 115.2 48.0 -62.4 -38.0 128.6 4.1 136.7 112 128 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.893 114.1 45.4 -68.1 -41.9 130.2 2.5 139.8 113 129 A V H X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.850 109.9 55.4 -71.4 -32.2 133.4 4.4 139.2 114 130 A K H X S+ 0 0 55 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.895 107.6 50.9 -64.2 -40.0 131.4 7.6 138.5 115 131 A Y H X S+ 0 0 50 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.948 110.1 47.5 -61.8 -51.1 129.8 7.1 141.9 116 132 A L H <>S+ 0 0 0 -4,-2.2 5,-3.2 1,-0.2 -2,-0.2 0.872 112.9 50.3 -56.9 -39.0 133.2 6.7 143.6 117 133 A H H ><5S+ 0 0 14 -4,-2.3 3,-1.1 3,-0.2 -1,-0.2 0.839 104.5 56.0 -72.6 -35.1 134.4 9.8 141.8 118 134 A D H 3<5S+ 0 0 101 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.823 111.0 46.3 -59.3 -33.1 131.4 11.8 142.9 119 135 A L T 3<5S- 0 0 73 -4,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.370 120.7-115.5 -94.4 3.3 132.3 10.9 146.4 120 136 A G T < 5S+ 0 0 47 -3,-1.1 2,-0.6 1,-0.2 -3,-0.2 0.650 72.0 132.6 73.6 19.1 136.0 11.8 145.6 121 137 A I < - 0 0 6 -5,-3.2 2,-0.5 -6,-0.2 -1,-0.2 -0.910 43.2-154.3-103.9 120.9 137.3 8.2 146.1 122 138 A V - 0 0 12 -2,-0.6 26,-0.1 1,-0.2 59,-0.1 -0.827 9.5-146.1 -94.1 128.5 139.6 7.0 143.3 123 139 A H - 0 0 0 -2,-0.5 25,-1.8 1,-0.2 -1,-0.2 0.959 20.3-178.3 -53.9 -58.2 139.7 3.2 142.9 124 140 A R S S+ 0 0 20 56,-0.2 -1,-0.2 23,-0.1 25,-0.1 0.149 72.8 62.0 79.4 -20.4 143.4 3.1 141.9 125 141 A D + 0 0 33 23,-0.1 2,-1.4 21,-0.1 5,-0.1 -0.236 61.8 157.3-132.9 41.0 143.1 -0.6 141.5 126 142 A L + 0 0 3 42,-0.1 65,-0.1 3,-0.1 -2,-0.0 -0.569 24.7 139.6 -74.9 94.6 140.6 -1.0 138.7 127 143 A K > - 0 0 13 -2,-1.4 3,-2.0 1,-0.1 4,-0.2 -0.936 65.7-109.4-136.9 157.3 141.5 -4.4 137.3 128 144 A P G > S+ 0 0 8 0, 0.0 3,-1.2 0, 0.0 -41,-0.9 0.788 117.8 61.2 -57.7 -31.8 139.5 -7.5 136.1 129 145 A E G 3 S+ 0 0 50 1,-0.2 -3,-0.1 -43,-0.1 3,-0.0 0.695 106.7 48.0 -64.8 -18.6 140.5 -9.5 139.2 130 146 A N G < S+ 0 0 12 -3,-2.0 15,-3.6 1,-0.1 2,-0.7 0.315 97.5 81.2-101.2 0.3 138.6 -6.7 141.1 131 147 A L E < + H 0 144B 0 -3,-1.2 -44,-1.8 13,-0.2 2,-0.3 -0.902 62.7 164.9-112.6 101.3 135.6 -7.0 138.8 132 148 A L E -GH 86 143B 27 11,-2.5 11,-4.0 -2,-0.7 -46,-0.2 -0.871 39.5-109.0-120.1 149.6 133.5 -9.9 139.8 133 149 A Y E -GH 85 142B 3 -48,-2.7 -49,-2.4 -2,-0.3 -48,-0.5 -0.508 22.6-136.9 -73.4 142.5 129.9 -11.0 139.0 134 150 A Y S S+ 0 0 114 7,-3.2 -51,-0.7 -50,-0.2 2,-0.3 0.904 83.6 10.4 -69.7 -41.3 127.5 -10.6 141.9 135 151 A S S S- 0 0 25 6,-0.3 5,-0.1 2,-0.2 -51,-0.1 -0.881 76.7-110.6-133.7 164.4 125.9 -14.0 141.3 136 152 A L S S+ 0 0 120 -2,-0.3 -52,-0.1 -53,-0.1 -2,-0.0 0.544 82.0 118.9 -71.2 -4.8 126.5 -17.1 139.3 137 153 A D S > S- 0 0 88 1,-0.1 3,-1.3 2,-0.1 -2,-0.2 -0.224 74.6-122.0 -65.4 150.7 123.4 -16.1 137.2 138 154 A E T 3 S+ 0 0 157 1,-0.3 -1,-0.1 -44,-0.0 -44,-0.0 0.846 111.5 42.2 -62.0 -37.8 123.8 -15.3 133.5 139 155 A D T 3 S+ 0 0 135 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.297 87.8 147.2 -93.8 5.6 122.4 -11.7 133.8 140 156 A S < - 0 0 8 -3,-1.3 2,-0.2 -5,-0.1 -4,-0.0 0.026 49.3-116.8 -53.8 146.8 124.3 -10.9 137.0 141 157 A K - 0 0 67 -81,-0.1 -7,-3.2 -8,-0.1 -6,-0.3 -0.553 29.1-123.0 -76.0 145.4 125.6 -7.4 137.8 142 158 A I E - H 0 133B 0 -9,-0.3 2,-0.4 -2,-0.2 -9,-0.3 -0.660 23.9-149.9 -88.9 151.4 129.3 -7.0 138.1 143 159 A M E - H 0 132B 1 -11,-4.0 -11,-2.5 -2,-0.3 2,-0.7 -0.969 21.0-130.0-122.6 134.6 130.9 -5.6 141.2 144 160 A I E -fH 62 131B 0 -83,-2.9 -81,-3.3 -2,-0.4 -13,-0.2 -0.792 36.3-174.5 -69.0 116.1 133.9 -3.7 141.8 145 161 A S + 0 0 13 -15,-3.6 2,-0.3 -2,-0.7 -1,-0.1 0.512 53.4 26.8-104.6 -8.5 135.1 -6.0 144.6 146 162 A D - 0 0 4 -16,-0.5 2,-0.3 -21,-0.1 -83,-0.1 -0.825 66.3-137.6-140.3 178.1 138.2 -4.3 146.0 147 163 A F - 0 0 4 -2,-0.3 2,-0.7 -23,-0.1 -23,-0.1 -0.995 15.6-129.7-139.4 147.2 139.6 -0.9 146.3 148 164 A G - 0 0 0 -25,-1.8 2,-0.1 -2,-0.3 -23,-0.1 -0.893 37.5-144.7 -87.8 114.1 143.0 0.7 145.9 149 165 A L > - 0 0 12 -2,-0.7 3,-1.1 2,-0.1 4,-0.3 -0.468 29.0 -93.9 -80.1 156.6 143.4 2.6 149.1 150 166 A S G > S+ 0 0 28 1,-0.3 3,-2.9 2,-0.2 2,-0.6 0.777 120.6 71.1 -35.5 -44.0 145.2 6.0 149.3 151 167 A K G 3 S+ 0 0 48 1,-0.3 -1,-0.3 2,-0.2 -129,-0.3 0.108 80.9 75.3 -71.6 28.1 148.4 4.2 150.2 152 168 A M G < S+ 0 0 13 -3,-1.1 -1,-0.3 -2,-0.6 -2,-0.2 0.581 85.6 62.2-100.8 -23.4 148.5 3.0 146.7 153 169 A E S < S+ 0 0 74 -3,-2.9 -2,-0.2 -4,-0.3 -3,-0.1 0.705 79.8 107.0 -69.1 -22.8 149.6 6.5 145.6 154 170 A D S >> S- 0 0 69 -4,-0.4 4,-2.1 1,-0.1 3,-1.0 -0.417 83.4-122.7 -60.0 132.9 152.7 5.9 147.8 155 171 A P H 3> S+ 0 0 78 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.715 109.5 58.0 -58.6 -26.0 155.7 5.5 145.4 156 172 A G H 3> S+ 0 0 53 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.918 110.9 42.5 -66.1 -44.4 156.5 2.0 146.8 157 173 A S H <> S+ 0 0 1 -3,-1.0 4,-2.5 1,-0.2 -1,-0.2 0.852 109.9 58.9 -68.9 -37.7 153.1 0.8 146.0 158 174 A V H X S+ 0 0 7 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.898 109.1 42.7 -59.0 -43.9 153.2 2.5 142.6 159 175 A L H X S+ 0 0 91 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.783 112.3 53.8 -76.6 -29.1 156.3 0.5 141.6 160 176 A S H X S+ 0 0 64 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.865 108.1 50.2 -66.2 -38.7 154.8 -2.6 143.1 161 177 A T H < S+ 0 0 25 -4,-2.5 4,-0.4 1,-0.2 3,-0.4 0.916 109.8 52.3 -64.6 -41.7 151.8 -1.9 140.9 162 178 A A H < S+ 0 0 12 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.847 111.6 45.3 -59.5 -38.3 154.3 -1.5 138.0 163 179 A C H < S+ 0 0 108 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.666 109.5 58.6 -82.5 -17.5 155.9 -4.9 138.7 164 180 A G S < S- 0 0 52 -4,-1.3 -3,-0.1 -3,-0.4 -2,-0.1 0.905 130.9 -24.1 -76.1 -99.2 152.6 -6.7 139.2 165 181 A T > - 0 0 90 -4,-0.4 3,-1.7 1,-0.1 4,-0.3 -0.824 64.6-172.1-116.8 89.5 150.4 -6.6 136.1 166 182 A P G > S+ 0 0 11 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.658 72.4 77.2 -53.3 -20.2 151.7 -3.4 134.4 167 183 A G G 3 S+ 0 0 8 1,-0.2 -5,-0.1 35,-0.1 35,-0.0 0.735 91.6 48.0 -68.8 -25.9 148.8 -3.6 131.8 168 184 A Y G < S+ 0 0 32 -3,-1.7 2,-0.3 -7,-0.2 -1,-0.2 0.515 93.0 91.4 -94.9 -5.6 146.1 -2.3 134.1 169 185 A V S < S- 0 0 8 -3,-0.9 -44,-0.1 -4,-0.3 15,-0.0 -0.702 80.3-110.3 -98.9 143.0 147.9 0.7 135.4 170 186 A A > - 0 0 0 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.270 23.1-114.3 -71.4 154.6 147.7 4.1 133.8 171 187 A P H > S+ 0 0 6 0, 0.0 4,-1.8 0, 0.0 6,-0.2 0.879 116.8 51.2 -49.6 -47.9 150.6 5.8 131.9 172 188 A E H 4>S+ 0 0 12 71,-0.3 5,-2.5 2,-0.2 7,-0.1 0.892 107.6 51.5 -58.3 -46.3 150.8 8.6 134.5 173 189 A V H >45S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.922 110.6 48.7 -62.5 -44.3 150.9 6.1 137.5 174 190 A L H 3<5S+ 0 0 25 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.840 105.0 59.8 -57.4 -36.3 153.8 4.3 135.8 175 191 A A T 3<5S- 0 0 59 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.320 119.0-114.4 -76.4 9.9 155.4 7.7 135.3 176 192 A Q T < 5S+ 0 0 93 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.666 73.1 143.0 59.4 17.7 155.4 8.1 139.1 177 193 A K < - 0 0 130 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.627 60.1 -90.3 -80.4 144.7 152.9 10.9 138.4 178 194 A P - 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.149 43.6 -98.4 -65.0 154.6 150.2 11.1 141.1 179 195 A Y + 0 0 17 -6,-0.1 2,-0.3 -3,-0.1 -26,-0.0 -0.266 44.4 171.4 -65.7 153.1 146.8 9.2 140.8 180 196 A S >> - 0 0 50 1,-0.0 3,-1.7 -56,-0.0 4,-0.6 -0.934 52.6 -90.8-151.2 171.7 143.7 11.0 139.7 181 197 A K H >> S+ 0 0 100 -2,-0.3 4,-1.3 1,-0.3 3,-0.9 0.811 122.1 67.5 -54.1 -33.7 140.2 10.0 138.7 182 198 A A H 3> S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.812 87.2 67.8 -55.1 -32.6 141.5 9.7 135.2 183 199 A V H <> S+ 0 0 3 -3,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.880 100.4 47.6 -57.8 -41.2 143.5 6.7 136.3 184 200 A D H S- 0 0 85 1,-0.1 4,-2.4 2,-0.0 -2,-0.1 -0.781 76.8-147.2 -89.0 123.3 160.0 -7.7 127.0 207 223 A D H > S+ 0 0 101 -2,-0.5 4,-2.8 2,-0.2 5,-0.3 0.931 97.7 51.7 -52.2 -52.5 159.2 -5.7 130.1 208 224 A A H > S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.928 113.0 45.0 -53.3 -49.4 160.8 -2.5 128.9 209 225 A K H > S+ 0 0 103 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.863 111.0 56.0 -61.6 -37.9 158.9 -2.6 125.6 210 226 A L H X S+ 0 0 19 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.920 111.1 41.7 -60.6 -47.7 155.7 -3.4 127.7 211 227 A F H X S+ 0 0 50 -4,-2.8 4,-3.7 1,-0.2 5,-0.3 0.896 111.6 56.3 -67.6 -39.2 156.1 -0.3 129.8 212 228 A E H X S+ 0 0 124 -4,-2.5 4,-2.2 -5,-0.3 6,-0.3 0.913 107.1 50.3 -56.6 -45.7 157.0 1.7 126.7 213 229 A Q H <>S+ 0 0 35 -4,-2.6 5,-3.3 2,-0.2 -1,-0.2 0.939 115.1 42.5 -58.9 -50.7 153.7 0.6 125.1 214 230 A I H ><5S+ 0 0 0 -4,-1.9 3,-1.6 3,-0.2 -2,-0.2 0.939 113.9 50.0 -63.0 -49.8 151.7 1.6 128.2 215 231 A L H 3<5S+ 0 0 72 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.869 119.8 37.4 -59.0 -36.3 153.6 4.9 128.8 216 232 A K T 3<5S- 0 0 126 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.320 108.3-125.2 -98.2 9.0 153.1 5.9 125.2 217 233 A A T < 5 + 0 0 16 -3,-1.6 2,-1.3 1,-0.2 -3,-0.2 0.860 48.5 169.1 44.9 41.3 149.6 4.4 125.1 218 234 A E < + 0 0 133 -5,-3.3 2,-0.3 -6,-0.3 -1,-0.2 -0.695 16.9 129.2 -87.5 94.5 150.9 2.4 122.1 219 235 A Y - 0 0 39 -2,-1.3 2,-0.3 -3,-0.2 -17,-0.1 -0.920 37.3-155.0-136.7 166.3 148.2 -0.1 121.5 220 236 A E - 0 0 48 -19,-0.3 2,-1.2 -2,-0.3 -2,-0.0 -0.951 28.4-118.2-139.3 158.9 146.2 -1.2 118.4 221 237 A F - 0 0 30 -2,-0.3 5,-0.1 5,-0.0 8,-0.1 -0.766 50.5-153.5 -94.9 85.0 142.9 -2.7 117.6 222 238 A D > - 0 0 37 -2,-1.2 4,-2.3 3,-0.1 5,-0.2 -0.251 12.7 -94.8 -67.6 144.2 144.5 -5.7 116.0 223 239 A S T 4 S+ 0 0 78 1,-0.2 -1,-0.1 2,-0.2 0, 0.0 -0.678 99.7 24.3 -87.5 153.1 142.9 -7.8 113.3 224 240 A P T >4 S+ 0 0 81 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.984 123.7 53.6 -79.2 -10.2 141.4 -10.3 113.1 225 241 A Y T 34 S+ 0 0 77 1,-0.3 -2,-0.2 2,-0.1 3,-0.2 0.722 115.3 36.7 -61.9 -30.8 140.3 -9.7 116.7 226 242 A W T >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.1 -1,-0.3 0.424 88.3 96.1-102.2 -1.1 138.9 -6.2 116.3 227 243 A D T < S+ 0 0 88 -3,-1.6 -1,-0.1 1,-0.3 -2,-0.1 0.880 89.8 42.0 -58.7 -41.7 137.4 -6.5 112.8 228 244 A D T 3 S+ 0 0 91 -4,-0.5 2,-0.5 -3,-0.2 -1,-0.3 0.186 94.7 102.0 -94.4 14.4 133.9 -7.3 114.1 229 245 A I S < S- 0 0 3 -3,-1.7 5,-0.1 -8,-0.1 36,-0.1 -0.899 79.2-114.8 -99.5 128.0 134.2 -4.6 116.8 230 246 A S > - 0 0 17 -2,-0.5 4,-1.6 1,-0.1 5,-0.1 -0.131 13.4-123.4 -59.3 152.3 132.4 -1.4 115.9 231 247 A D H > S+ 0 0 123 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.825 114.1 62.7 -64.0 -30.9 134.3 1.8 115.4 232 248 A S H > S+ 0 0 25 32,-0.2 4,-2.4 2,-0.2 27,-0.2 0.950 102.5 47.6 -58.1 -51.4 132.1 3.2 118.2 233 249 A A H > S+ 0 0 0 31,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.873 114.5 46.8 -56.1 -41.0 133.6 0.7 120.6 234 250 A K H X S+ 0 0 27 -4,-1.6 4,-3.4 2,-0.2 5,-0.3 0.936 109.9 52.5 -67.2 -47.4 137.1 1.6 119.5 235 251 A D H X S+ 0 0 63 -4,-3.4 4,-1.6 1,-0.2 -2,-0.2 0.890 109.3 51.8 -52.0 -44.5 136.4 5.3 119.7 236 252 A F H X S+ 0 0 0 -4,-2.4 4,-0.7 -5,-0.2 -1,-0.2 0.923 112.5 43.8 -59.7 -49.3 135.2 4.7 123.3 237 253 A I H >X S+ 0 0 0 -4,-2.0 4,-5.3 1,-0.2 3,-1.1 0.927 109.3 56.2 -64.0 -46.9 138.4 2.8 124.2 238 254 A R H 3< S+ 0 0 111 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.852 108.5 48.5 -53.9 -36.1 140.7 5.3 122.5 239 255 A H H 3< S+ 0 0 63 -4,-1.6 10,-3.5 -5,-0.3 -1,-0.3 0.653 119.4 38.2 -84.1 -14.7 139.1 8.1 124.6 240 256 A L H << S+ 0 0 0 -3,-1.1 2,-1.7 -4,-0.7 -2,-0.2 0.812 114.7 54.1 -93.7 -46.7 139.6 6.0 127.7 241 257 A M S < S+ 0 0 2 -4,-5.3 2,-0.5 -52,-0.2 -1,-0.2 -0.375 78.5 135.5 -85.8 58.4 142.9 4.6 126.8 242 258 A E - 0 0 50 -2,-1.7 6,-0.2 -3,-0.3 -25,-0.1 -0.929 54.4-142.0-108.2 129.4 144.4 8.0 126.1 243 259 A K S S+ 0 0 91 -2,-0.5 -71,-0.3 -27,-0.2 -1,-0.1 0.851 87.7 75.5 -60.2 -38.1 147.9 8.5 127.6 244 260 A D S > S- 0 0 60 1,-0.2 4,-1.9 -73,-0.1 -2,-0.1 -0.679 72.0-156.3 -77.6 118.3 147.2 12.1 128.5 245 261 A P T 4 S+ 0 0 43 0, 0.0 -1,-0.2 0, 0.0 -60,-0.1 0.783 93.4 54.4 -69.6 -25.8 145.0 11.9 131.7 246 262 A E T 4 S+ 0 0 84 1,-0.2 4,-0.1 -3,-0.0 -2,-0.0 0.939 111.4 43.4 -69.0 -47.4 143.5 15.4 130.9 247 263 A K T 4 S+ 0 0 140 2,-0.1 -1,-0.2 -7,-0.0 3,-0.1 0.812 95.4 104.5 -67.6 -29.0 142.5 14.3 127.4 248 264 A R S < S- 0 0 4 -4,-1.9 -8,-0.2 -6,-0.2 -9,-0.1 -0.233 82.5-105.5 -56.4 139.2 141.2 11.1 128.8 249 265 A F - 0 0 43 -10,-3.5 -1,-0.1 -13,-0.2 2,-0.1 -0.372 30.1-132.9 -62.1 139.9 137.5 10.8 129.1 250 266 A T > - 0 0 69 -3,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.369 32.7 -97.0 -80.8 172.2 135.9 11.1 132.5 251 267 A C H > S+ 0 0 3 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.934 127.8 49.5 -55.0 -50.5 133.3 8.5 133.7 252 268 A E H > S+ 0 0 103 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.929 111.8 48.0 -51.2 -52.8 130.5 11.0 132.8 253 269 A Q H 4 S+ 0 0 92 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.807 115.6 45.0 -60.5 -33.7 132.1 11.5 129.3 254 270 A A H < S+ 0 0 0 -4,-2.3 3,-0.4 2,-0.2 -1,-0.2 0.817 112.4 51.8 -79.3 -30.1 132.4 7.7 128.9 255 271 A L H < S+ 0 0 18 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.794 109.7 49.1 -74.3 -27.7 128.9 7.2 130.2 256 272 A Q S < S+ 0 0 151 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.495 87.5 112.7 -87.4 -5.7 127.6 9.7 127.7 257 273 A H S >> S- 0 0 11 -3,-0.4 4,-3.0 -4,-0.3 3,-2.4 -0.448 77.6-121.3 -70.5 138.9 129.4 8.0 124.9 258 274 A P H 3> S+ 0 0 64 0, 0.0 4,-1.6 0, 0.0 6,-0.8 0.814 110.6 62.2 -50.5 -38.5 127.2 6.2 122.3 259 275 A W H 34 S+ 0 0 0 -27,-0.2 6,-0.1 1,-0.2 -26,-0.1 0.694 121.4 25.7 -64.5 -14.4 128.8 2.8 122.9 260 276 A I H <4 S+ 0 0 15 -3,-2.4 -1,-0.2 -6,-0.2 -5,-0.1 0.717 136.9 27.2-113.1 -40.0 127.5 3.1 126.4 261 277 A A H < S+ 0 0 60 -4,-3.0 -2,-0.2 -7,-0.1 2,-0.1 0.667 119.4 46.1-105.6 -25.5 124.5 5.5 126.2 262 278 A G S < S- 0 0 46 -4,-1.6 2,-0.4 -5,-0.4 3,-0.3 -0.270 94.5 -91.9-103.3-163.5 123.3 4.9 122.6 263 279 A D S S+ 0 0 106 1,-0.2 -4,-0.1 -2,-0.1 -163,-0.0 -0.492 85.7 106.8-112.0 58.7 122.6 1.9 120.4 264 280 A T + 0 0 53 -6,-0.8 2,-0.4 -2,-0.4 -31,-0.3 0.560 43.0 105.9-115.0 -14.5 126.0 1.5 118.7 265 281 A A S S- 0 0 24 -7,-0.4 -165,-0.1 -3,-0.3 -36,-0.0 -0.560 77.0-118.6 -67.0 123.4 127.3 -1.6 120.5 266 282 A L - 0 0 68 -2,-0.4 -166,-1.5 1,-0.1 -167,-0.6 -0.209 7.8-143.6 -67.7 156.1 127.1 -4.4 118.0 267 283 A D + 0 0 114 -168,-0.2 2,-0.3 -169,-0.1 -1,-0.1 0.129 59.9 128.8-103.4 16.0 124.9 -7.4 118.6 268 284 A K - 0 0 127 -40,-0.2 2,-0.6 1,-0.1 -169,-0.5 -0.583 66.5-118.8 -74.2 127.5 127.6 -9.6 116.8 269 285 A N + 0 0 72 -2,-0.3 -171,-0.2 1,-0.2 -1,-0.1 -0.575 41.8 164.3 -67.7 113.7 128.6 -12.6 118.8 270 286 A I > + 0 0 8 -173,-2.8 4,-2.7 -2,-0.6 5,-0.2 0.203 40.6 109.6-113.1 16.3 132.4 -12.2 119.5 271 287 A H H >> + 0 0 26 -174,-0.8 4,-3.7 1,-0.2 5,-0.5 0.904 70.0 58.3 -57.5 -50.0 132.6 -14.9 122.2 272 288 A Q H >5S+ 0 0 153 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.901 116.0 35.4 -53.2 -44.4 134.5 -17.5 120.3 273 289 A S H >5S+ 0 0 37 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.924 119.2 49.0 -77.9 -43.1 137.4 -15.1 119.7 274 290 A V H X5S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.931 116.5 41.7 -65.4 -43.4 137.2 -13.2 123.0 275 291 A S H X5S+ 0 0 7 -4,-3.7 4,-2.9 2,-0.2 5,-0.3 0.917 111.7 56.6 -69.2 -41.5 137.1 -16.4 125.0 276 292 A E H XX S+ 0 0 1 -4,-2.6 4,-3.5 2,-0.2 3,-0.9 0.928 109.2 46.8 -62.3 -45.2 141.0 -14.8 127.3 279 295 A K H 3< S+ 0 0 130 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.904 109.0 55.3 -62.5 -42.7 142.0 -18.4 127.8 280 296 A K H 3< S+ 0 0 78 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.639 124.3 23.8 -64.9 -15.3 145.3 -17.8 126.0 281 297 A N H << S+ 0 0 69 -3,-0.9 2,-0.6 -4,-0.7 -2,-0.2 0.733 121.7 44.2-117.5 -41.0 146.1 -14.9 128.4 282 298 A F < 0 0 46 -4,-3.5 -1,-0.1 -5,-0.2 -2,-0.1 -0.694 360.0 360.0-120.8 76.3 144.3 -15.3 131.8 283 299 A A 0 0 143 -2,-0.6 -1,-0.2 -3,-0.1 -4,-0.1 0.696 360.0 360.0 -90.7 360.0 144.5 -18.9 133.0