==== 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 LYASE 20-JUN-07 2QD4 . COMPND 2 MOLECULE: FERROCHELATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.E.MEDLOCK,T.A.DAILEY,T.A.ROSS,H.A.DAILEY,W.N.LANZILOTTA . 718 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28859.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 521 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 0 0.0 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 . 34 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 262 36.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 5.0 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 4 2 0 0 0 1 5 2 0 0 2 4 0 2 0 2 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 4 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 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 65 A R 0 0 232 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.2 -18.8 66.4 49.2 2 66 A K - 0 0 142 1,-0.1 2,-0.1 2,-0.0 115,-0.0 -0.136 360.0 -93.2 -55.4 148.0 -18.1 68.0 45.7 3 67 A P - 0 0 26 0, 0.0 90,-0.2 0, 0.0 -1,-0.1 -0.351 34.4-173.5 -65.6 141.5 -14.4 68.4 44.7 4 68 A K S S+ 0 0 58 88,-2.4 115,-2.4 1,-0.3 116,-1.5 0.808 70.0 39.5-102.0 -43.6 -12.9 71.8 45.5 5 69 A T E -ab 93 120A 1 87,-1.9 89,-2.6 85,-0.4 2,-0.5 -0.943 66.9-161.4-116.8 123.5 -9.5 71.6 43.8 6 70 A G E -ab 94 121A 0 114,-2.5 116,-2.5 -2,-0.5 2,-0.8 -0.881 4.4-157.3-106.6 128.5 -8.9 69.9 40.5 7 71 A I E -ab 95 122A 0 87,-2.9 89,-2.5 -2,-0.5 2,-0.9 -0.887 10.1-154.3-105.7 106.9 -5.4 68.8 39.4 8 72 A L E -ab 96 123A 0 114,-2.3 116,-2.5 -2,-0.8 2,-0.8 -0.722 5.9-153.6 -84.7 107.8 -5.3 68.6 35.6 9 73 A M E -ab 97 124A 1 87,-3.2 89,-2.7 -2,-0.9 2,-0.4 -0.723 14.8-158.7 -84.8 109.0 -2.6 66.1 34.6 10 74 A L E +ab 98 125A 0 114,-1.8 116,-2.8 -2,-0.8 2,-0.3 -0.757 26.2 141.9 -97.1 134.4 -1.3 67.0 31.2 11 75 A N E -a 99 0A 1 87,-1.5 89,-1.7 -2,-0.4 90,-0.1 -0.954 56.6-113.8-157.4 162.2 0.5 64.7 28.8 12 76 A M - 0 0 68 -2,-0.3 89,-2.3 87,-0.2 90,-0.3 0.889 56.0-154.4 -69.8 -38.1 0.4 64.1 25.1 13 77 A G - 0 0 1 86,-0.2 -1,-0.1 87,-0.2 90,-0.0 -0.180 5.4-122.7 87.6 174.7 -1.1 60.7 25.6 14 78 A G - 0 0 5 52,-0.1 55,-0.2 -2,-0.1 2,-0.1 -0.978 36.2 -80.7-153.6 153.3 -0.9 57.6 23.4 15 79 A P - 0 0 0 0, 0.0 51,-2.6 0, 0.0 53,-0.1 -0.388 32.0-152.2 -61.9 129.8 -3.6 55.3 21.7 16 80 A E S S+ 0 0 82 49,-0.2 2,-0.3 -2,-0.1 86,-0.0 0.829 78.7 14.7 -70.9 -33.7 -5.0 52.9 24.3 17 81 A T S > S- 0 0 71 48,-0.2 3,-1.4 1,-0.0 4,-0.4 -0.877 87.6-101.0-135.3 167.4 -5.8 50.3 21.6 18 82 A L G > S+ 0 0 56 46,-0.5 3,-1.2 -2,-0.3 4,-0.4 0.818 119.5 62.8 -60.4 -30.5 -4.8 49.7 18.0 19 83 A G G 3 S+ 0 0 61 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.748 97.3 57.1 -67.0 -22.7 -8.2 51.2 17.0 20 84 A D G <> S+ 0 0 60 -3,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.551 82.9 88.9 -84.7 -9.0 -7.3 54.5 18.5 21 85 A V H <> S+ 0 0 0 -3,-1.2 4,-2.5 -4,-0.4 5,-0.2 0.931 82.4 52.3 -54.2 -55.6 -4.1 54.9 16.4 22 86 A H H > S+ 0 0 63 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.896 111.9 43.3 -50.6 -51.7 -5.7 56.7 13.4 23 87 A D H > S+ 0 0 77 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.827 110.6 58.2 -67.3 -29.6 -7.4 59.5 15.4 24 88 A F H X S+ 0 0 10 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.964 111.0 41.4 -61.1 -52.4 -4.3 59.9 17.5 25 89 A L H X S+ 0 0 4 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.887 111.9 56.7 -63.6 -39.7 -2.3 60.6 14.4 26 90 A L H X S+ 0 0 36 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.928 107.1 46.7 -59.5 -47.8 -5.0 62.8 12.9 27 91 A R H X S+ 0 0 58 -4,-2.4 4,-0.6 74,-0.3 -1,-0.2 0.877 113.3 52.2 -62.6 -35.6 -5.1 65.1 15.9 28 92 A L H >< S+ 0 0 21 -4,-1.7 3,-1.3 1,-0.2 -2,-0.2 0.965 110.1 45.2 -62.1 -55.7 -1.3 65.3 15.8 29 93 A F H 3< S+ 0 0 26 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.648 110.8 55.5 -65.8 -16.2 -1.1 66.2 12.1 30 94 A L H 3< S+ 0 0 58 -4,-1.2 2,-1.0 -5,-0.2 -1,-0.3 0.586 79.3 107.2 -91.7 -12.3 -3.9 68.8 12.5 31 95 A D - 0 0 48 -2,-0.5 3,-1.4 -8,-0.1 4,-0.1 -0.937 38.2-105.0-124.9 147.4 1.4 71.6 6.2 38 102 A P T 3 S- 0 0 95 0, 0.0 5,-0.3 0, 0.0 4,-0.2 -0.403 107.4 -2.3 -66.4 146.3 0.1 72.6 2.9 39 103 A I T >> S+ 0 0 115 1,-0.1 3,-2.9 3,-0.1 4,-2.0 0.841 87.9 177.7 35.8 43.3 -3.7 72.0 2.6 40 104 A Q H <> + 0 0 8 -3,-1.4 4,-2.4 1,-0.3 -1,-0.1 0.769 67.7 64.6 -44.7 -38.5 -3.3 70.6 6.1 41 105 A N H 34 S+ 0 0 106 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.673 114.5 32.6 -64.4 -15.1 -7.0 69.8 6.5 42 106 A K H <> S+ 0 0 155 -3,-2.9 4,-1.0 -4,-0.2 -2,-0.2 0.711 120.0 48.4-109.3 -33.5 -6.7 67.3 3.6 43 107 A L H X S+ 0 0 48 -4,-2.0 4,-3.8 -5,-0.3 5,-0.4 0.933 104.9 59.0 -73.1 -46.9 -3.1 66.0 4.1 44 108 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.3 5,-0.2 0.926 106.3 46.4 -48.3 -55.8 -3.5 65.4 7.8 45 109 A P H > S+ 0 0 50 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.892 118.1 46.8 -56.4 -36.0 -6.4 62.9 7.4 46 110 A F H X S+ 0 0 108 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.952 111.6 45.8 -69.6 -54.1 -4.4 61.3 4.6 47 111 A I H X S+ 0 0 51 -4,-3.8 4,-2.4 1,-0.2 5,-0.2 0.864 111.7 56.1 -58.9 -35.1 -1.0 61.1 6.3 48 112 A A H X S+ 0 0 0 -4,-2.7 4,-1.6 -5,-0.4 -1,-0.2 0.960 108.0 46.5 -60.6 -51.3 -2.8 59.7 9.4 49 113 A K H < S+ 0 0 155 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.899 114.5 47.9 -58.5 -42.6 -4.4 57.0 7.3 50 114 A R H < S+ 0 0 170 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.838 115.9 42.0 -70.0 -35.0 -1.0 56.1 5.7 51 115 A R H X S+ 0 0 89 -4,-2.4 4,-2.0 -5,-0.2 5,-0.2 0.617 93.2 84.6 -88.6 -12.9 1.0 56.0 8.9 52 116 A T H X S+ 0 0 12 -4,-1.6 4,-3.3 1,-0.2 5,-0.3 0.917 86.0 53.2 -55.6 -50.0 -1.6 54.2 11.0 53 117 A P H > S+ 0 0 76 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.925 111.3 45.5 -52.2 -50.5 -0.6 50.7 9.9 54 118 A K H > S+ 0 0 97 -4,-0.4 4,-1.4 1,-0.2 -2,-0.2 0.886 117.1 44.0 -62.6 -41.3 3.1 51.2 10.8 55 119 A I H X S+ 0 0 21 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.868 110.6 54.0 -74.3 -34.9 2.2 52.8 14.2 56 120 A Q H X S+ 0 0 63 -4,-3.3 4,-2.3 -5,-0.2 -2,-0.2 0.913 107.4 53.4 -62.2 -40.5 -0.4 50.2 15.0 57 121 A E H X S+ 0 0 81 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.871 105.1 53.7 -61.3 -39.6 2.3 47.5 14.4 58 122 A Q H < S+ 0 0 43 -4,-1.4 4,-0.5 1,-0.2 -1,-0.2 0.939 111.6 44.8 -61.4 -45.9 4.6 49.3 16.8 59 123 A Y H ><>S+ 0 0 9 -4,-2.1 5,-3.0 1,-0.2 3,-1.0 0.843 107.6 57.6 -68.5 -32.2 1.9 49.1 19.5 60 124 A R H ><5S+ 0 0 135 -4,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.923 100.6 59.4 -62.7 -40.5 1.0 45.5 18.7 61 125 A R T 3<5S+ 0 0 108 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.679 108.5 44.5 -62.2 -18.4 4.7 44.7 19.4 62 126 A I T < 5S- 0 0 30 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.164 137.9 -70.9-112.5 19.7 4.3 46.0 23.0 63 127 A G T < 5S- 0 0 75 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.398 82.4 -65.1 113.3 -6.2 0.9 44.4 23.9 64 128 A G S + 0 0 23 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.356 65.0 107.8 -94.4 5.0 -0.2 52.1 29.2 68 132 A I H > S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.874 77.4 48.7 -50.8 -45.2 0.0 55.8 29.8 69 133 A K H > S+ 0 0 70 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.905 110.6 51.1 -65.6 -39.6 -3.5 56.2 30.9 70 134 A I H > S+ 0 0 118 -3,-0.2 4,-2.2 -4,-0.2 -2,-0.2 0.953 116.0 40.6 -61.0 -50.2 -3.3 53.3 33.4 71 135 A W H X S+ 0 0 57 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.897 115.1 51.2 -66.0 -41.1 -0.1 54.7 34.9 72 136 A T H X S+ 0 0 1 -4,-2.8 4,-3.0 -5,-0.3 -1,-0.2 0.931 111.3 49.2 -61.1 -45.1 -1.3 58.3 34.9 73 137 A S H X S+ 0 0 20 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.909 112.1 47.3 -60.6 -44.7 -4.6 57.2 36.6 74 138 A K H X S+ 0 0 107 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.908 114.6 46.2 -64.5 -43.5 -2.7 55.2 39.3 75 139 A Q H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.915 112.4 52.0 -65.2 -42.1 -0.3 58.1 39.9 76 140 A G H X S+ 0 0 0 -4,-3.0 4,-2.4 -5,-0.2 -2,-0.2 0.877 109.1 48.8 -61.7 -41.2 -3.2 60.6 40.0 77 141 A E H X S+ 0 0 95 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.933 113.2 46.5 -65.0 -48.0 -5.2 58.5 42.6 78 142 A G H X S+ 0 0 17 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.877 111.7 53.1 -61.9 -37.8 -2.2 58.2 44.9 79 143 A M H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.952 109.0 48.1 -61.2 -52.6 -1.5 61.9 44.5 80 144 A V H X S+ 0 0 19 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.902 106.8 55.8 -55.4 -48.6 -5.0 62.9 45.5 81 145 A K H X S+ 0 0 136 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.926 113.2 42.6 -51.8 -47.9 -5.1 60.6 48.5 82 146 A L H >X S+ 0 0 66 -4,-1.7 4,-2.9 1,-0.2 3,-0.9 0.932 110.9 55.1 -65.3 -47.1 -1.9 62.4 49.8 83 147 A L H 3X S+ 0 0 0 -4,-2.8 4,-3.3 1,-0.3 -2,-0.2 0.891 102.3 56.5 -54.4 -44.3 -3.1 65.9 48.8 84 148 A D H 3< S+ 0 0 55 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.812 115.2 39.2 -58.9 -30.2 -6.4 65.5 50.9 85 149 A E H << S+ 0 0 160 -3,-0.9 -2,-0.2 -4,-0.9 -1,-0.2 0.828 118.3 47.5 -87.4 -36.2 -4.2 64.8 53.9 86 150 A L H < S+ 0 0 79 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.906 125.3 25.2 -71.1 -43.6 -1.5 67.3 53.1 87 151 A S >< + 0 0 12 -4,-3.3 3,-1.5 -5,-0.2 -1,-0.2 -0.615 62.9 164.8-126.2 73.7 -3.8 70.3 52.4 88 152 A P G > S+ 0 0 81 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.864 75.7 64.5 -55.0 -38.3 -7.2 69.9 54.1 89 153 A N G 3 S+ 0 0 150 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.0 0.766 91.7 62.7 -59.2 -27.5 -8.0 73.5 53.5 90 154 A T G < S- 0 0 18 -3,-1.5 -85,-0.4 1,-0.2 -1,-0.3 -0.105 102.2-145.3 -91.7 39.0 -8.1 72.9 49.8 91 155 A A < - 0 0 6 -3,-1.1 -1,-0.2 -87,-0.1 2,-0.2 0.325 55.3 -5.3 28.5-153.9 -11.0 70.5 50.4 92 156 A P S S- 0 0 25 0, 0.0 -88,-2.4 0, 0.0 -87,-1.9 -0.456 71.8-149.1 -66.9 133.5 -11.4 67.4 48.3 93 157 A H E -a 5 0A 8 -13,-0.2 2,-0.4 -2,-0.2 -87,-0.2 -0.768 12.8-169.8 -98.9 147.5 -8.8 67.2 45.5 94 158 A K E -a 6 0A 64 -89,-2.6 -87,-2.9 -2,-0.3 2,-0.3 -0.999 11.8-142.2-138.3 134.9 -9.7 65.5 42.3 95 159 A Y E -a 7 0A 55 -2,-0.4 2,-0.4 -89,-0.2 -87,-0.2 -0.713 14.4-168.3 -97.4 148.7 -7.4 64.6 39.4 96 160 A Y E -a 8 0A 6 -89,-2.5 -87,-3.2 -2,-0.3 2,-0.5 -0.981 17.8-131.4-132.8 145.9 -8.3 64.9 35.8 97 161 A I E -a 9 0A 15 -2,-0.4 2,-0.5 -89,-0.2 -87,-0.2 -0.870 19.5-175.3-102.1 127.0 -6.5 63.6 32.8 98 162 A G E -a 10 0A 0 -89,-2.7 -87,-1.5 -2,-0.5 2,-0.3 -0.844 6.3-174.2-123.0 92.1 -6.0 65.9 29.9 99 163 A F E -ac 11 105A 4 5,-3.1 7,-1.4 -2,-0.5 -87,-0.2 -0.641 20.0-144.0 -84.7 144.8 -4.3 64.2 27.0 100 164 A R S S+ 0 0 32 -89,-1.7 -88,-0.2 -2,-0.3 -87,-0.2 0.896 92.4 15.9 -76.6 -40.1 -3.4 66.3 24.1 101 165 A Y S S+ 0 0 8 -89,-2.3 2,-0.3 -90,-0.1 -74,-0.3 0.361 121.9 43.9-119.7 5.3 -4.1 63.9 21.2 102 166 A V S S- 0 0 9 -90,-0.3 -3,-0.3 2,-0.2 4,-0.1 -0.936 93.0 -43.1-142.4 166.0 -6.3 61.1 22.7 103 167 A H S S+ 0 0 86 -2,-0.3 -5,-0.1 1,-0.2 -3,-0.1 -0.520 117.0 46.1 -75.8 140.6 -9.3 60.7 25.0 104 168 A P S S- 0 0 33 0, 0.0 -5,-3.1 0, 0.0 -1,-0.2 0.386 92.4-160.1 -80.5 128.8 -9.8 62.2 27.4 105 169 A L B > -c 99 0A 25 -7,-0.2 4,-2.3 -4,-0.1 -5,-0.2 -0.219 30.2-109.1 -70.3 161.9 -8.7 65.3 25.6 106 170 A T H > S+ 0 0 0 -7,-1.4 4,-2.4 -8,-0.2 5,-0.2 0.934 121.4 49.4 -55.7 -47.2 -7.5 68.5 27.3 107 171 A E H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 108.4 51.3 -60.0 -44.9 -10.8 70.2 26.2 108 172 A E H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.895 111.0 50.1 -61.4 -37.9 -13.0 67.3 27.5 109 173 A A H X S+ 0 0 3 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.933 108.6 50.0 -66.2 -47.4 -11.2 67.5 30.9 110 174 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.893 109.0 54.1 -58.9 -38.8 -11.6 71.3 31.2 111 175 A E H X S+ 0 0 102 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.927 110.6 45.4 -61.4 -43.7 -15.3 70.8 30.5 112 176 A E H X S+ 0 0 87 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.896 110.2 53.6 -67.6 -41.3 -15.6 68.3 33.3 113 177 A M H <>S+ 0 0 0 -4,-2.7 5,-1.2 1,-0.2 -1,-0.2 0.898 111.7 46.1 -60.4 -40.4 -13.7 70.4 35.7 114 178 A E H ><5S+ 0 0 22 -4,-2.2 3,-1.6 -5,-0.2 -1,-0.2 0.903 110.5 52.6 -70.0 -40.0 -16.0 73.3 35.1 115 179 A R H 3<5S+ 0 0 200 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.904 104.1 57.2 -61.0 -40.8 -19.1 71.1 35.3 116 180 A D T 3<5S- 0 0 44 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.532 109.3-130.3 -67.7 -4.6 -17.8 69.9 38.7 117 181 A G T < 5 - 0 0 30 -3,-1.6 -3,-0.2 -5,-0.2 2,-0.1 0.949 35.8-173.0 53.4 56.9 -17.8 73.5 39.8 118 182 A L < - 0 0 5 -5,-1.2 -113,-0.2 1,-0.1 -114,-0.2 -0.467 28.4-141.0 -80.1 153.2 -14.2 73.5 41.2 119 183 A E S S+ 0 0 126 -115,-2.4 37,-2.2 1,-0.3 2,-0.3 0.858 85.3 12.7 -80.4 -37.7 -12.9 76.5 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600 B T + 0 0 122 -2,-0.3 -4,-0.1 -3,-0.1 -6,-0.1 -0.944 30.6 169.2-122.8 108.2 41.1 67.4 10.5 397 601 B L > - 0 0 52 -2,-0.5 3,-1.3 -8,-0.1 4,-0.2 -0.884 39.7 -99.2-120.2 151.0 42.0 69.1 7.3 398 602 B P T 3 S- 0 0 95 0, 0.0 5,-0.4 0, 0.0 4,-0.1 -0.372 107.6 -3.8 -65.0 144.9 43.5 67.8 4.1 399 603 B I T >> S+ 0 0 123 1,-0.1 3,-2.7 3,-0.1 4,-2.1 0.854 86.4 176.1 34.8 45.7 47.3 68.5 3.8 400 604 B Q H <> S+ 0 0 6 -3,-1.3 4,-3.2 1,-0.3 -1,-0.1 0.869 70.8 61.3 -45.0 -49.4 46.8 70.3 7.1 401 605 B N H 34 S+ 0 0 109 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.714 113.7 39.5 -54.2 -19.3 50.5 71.0 7.5 402 606 B K H <> S+ 0 0 161 -3,-2.7 4,-0.9 -4,-0.1 -2,-0.2 0.817 118.2 44.3 -97.3 -41.9 50.1 72.9 4.2 403 607 B L H X S+ 0 0 51 -4,-2.1 4,-3.2 -5,-0.4 5,-0.3 0.874 102.9 64.9 -72.8 -39.5 46.7 74.6 4.8 404 608 B A H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 5,-0.3 0.936 101.4 48.0 -50.3 -57.0 47.3 75.7 8.4 405 609 B P H > S+ 0 0 56 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.909 116.5 45.8 -51.2 -45.0 50.1 78.2 7.6 406 610 B F H X S+ 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4,-1.0 -5,-0.2 5,-0.9 0.926 111.8 45.3 -56.8 -48.9 41.2 66.6 44.5 685 889 B I H ><5S+ 0 0 15 -4,-2.8 3,-0.5 1,-0.2 -2,-0.2 0.936 114.5 46.7 -62.4 -49.3 44.3 65.9 46.6 686 890 B Q H 3<5S+ 0 0 134 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.836 111.4 51.4 -64.2 -34.6 42.5 64.6 49.6 687 891 B S H 3<5S- 0 0 63 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.705 98.7-139.2 -75.0 -21.1 40.2 62.4 47.6 688 892 B N T <<5 + 0 0 86 -4,-1.0 -3,-0.2 -3,-0.5 -4,-0.1 0.654 43.1 162.8 69.0 17.3 43.2 60.9 45.8 689 893 B E < - 0 0 77 -5,-0.9 -1,-0.2 1,-0.1 3,-0.1 -0.369 33.8-162.1 -68.3 144.9 41.3 61.0 42.6 690 894 B L S S- 0 0 29 1,-0.4 -171,-2.7 -172,-0.1 2,-0.3 0.673 73.2 -26.8 -97.9 -24.0 43.3 60.6 39.3 691 895 B C S S- 0 0 20 -173,-0.2 -1,-0.4 24,-0.1 -171,-0.1 -0.954 81.8 -70.0-175.5 170.3 40.4 62.0 37.2 692 896 B S - 0 0 26 -2,-0.3 3,-0.5 1,-0.1 4,-0.5 -0.309 41.0-118.5 -71.3 160.9 36.6 62.3 37.2 693 897 B K S > S+ 0 0 86 1,-0.2 3,-1.8 2,-0.2 -1,-0.1 0.896 114.8 63.6 -65.1 -37.5 34.5 59.2 36.6 694 898 B Q G > S+ 0 0 9 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