==== 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 06-MAY-09 3HCO . COMPND 2 MOLECULE: FERROCHELATASE, MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.E.MEDLOCK,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) . 30206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 510 71.0 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 . 37 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 271 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.8 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 0 0 0 0 2 6 2 0 0 2 4 0 2 0 2 0 0 2 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 0.000 360.0 360.0 360.0 168.6 -61.3 21.0 104.4 2 66 A K - 0 0 142 1,-0.1 2,-0.1 115,-0.0 115,-0.1 -0.546 360.0 -84.7 -68.8 148.8 -61.4 22.5 100.9 3 67 A P - 0 0 26 0, 0.0 90,-0.2 0, 0.0 3,-0.1 -0.396 43.5-175.0 -66.3 139.9 -57.9 22.6 99.6 4 68 A K + 0 0 53 88,-2.5 115,-2.3 1,-0.3 116,-1.2 0.828 69.0 33.5 -96.3 -45.9 -55.8 25.7 100.6 5 69 A T E -ab 93 120A 0 87,-1.9 89,-2.4 85,-0.3 2,-0.4 -0.973 67.9-156.3-126.8 121.6 -52.6 25.3 98.7 6 70 A G E -ab 94 121A 0 114,-2.8 116,-1.8 -2,-0.5 2,-0.5 -0.782 0.7-160.7 -96.6 139.6 -52.2 23.7 95.2 7 71 A I E -ab 95 122A 0 87,-2.5 89,-2.8 -2,-0.4 2,-0.9 -0.959 7.9-158.0-121.0 106.0 -48.9 22.2 94.0 8 72 A L E -ab 96 123A 0 114,-3.0 116,-3.0 -2,-0.5 2,-0.7 -0.796 7.6-154.2 -87.4 109.0 -49.0 21.9 90.2 9 73 A M E -ab 97 124A 1 87,-3.1 89,-2.9 -2,-0.9 2,-0.4 -0.733 15.5-157.3 -89.2 114.3 -46.4 19.3 89.3 10 74 A L E +ab 98 125A 0 114,-2.3 116,-2.7 -2,-0.7 2,-0.3 -0.798 28.2 136.3-105.6 135.5 -45.2 20.1 85.8 11 75 A N E -a 99 0A 2 87,-1.5 89,-2.0 -2,-0.4 90,-0.1 -0.926 61.6-104.9-161.6 170.7 -43.6 17.6 83.3 12 76 A M - 0 0 45 87,-0.3 89,-2.0 -2,-0.3 90,-0.1 0.695 55.8-148.6 -77.5 -18.9 -43.9 16.8 79.6 13 77 A G - 0 0 4 87,-0.2 -1,-0.2 86,-0.1 90,-0.0 -0.253 6.9-126.2 76.4-170.2 -45.8 13.6 80.5 14 78 A G - 0 0 6 52,-0.1 2,-0.3 -3,-0.1 55,-0.2 -0.952 30.1 -77.4-166.0 162.6 -45.6 10.5 78.3 15 79 A P - 0 0 1 0, 0.0 51,-3.0 0, 0.0 53,-0.1 -0.511 32.6-153.9 -72.5 124.9 -48.0 8.1 76.5 16 80 A E S S+ 0 0 97 -2,-0.3 2,-0.3 49,-0.2 86,-0.0 0.871 79.4 9.1 -67.9 -37.1 -49.5 5.7 79.0 17 81 A T S > S- 0 0 71 48,-0.1 3,-1.9 -3,-0.0 4,-0.3 -0.861 89.9 -96.3-136.5 171.0 -50.1 3.1 76.3 18 82 A L G > S+ 0 0 50 46,-0.5 3,-1.0 1,-0.3 4,-0.3 0.742 121.0 62.6 -64.5 -26.0 -49.0 2.7 72.7 19 83 A G G 3 S+ 0 0 64 1,-0.2 4,-0.3 2,-0.1 3,-0.3 0.681 95.6 62.3 -69.2 -19.5 -52.2 4.1 71.5 20 84 A D G <> S+ 0 0 70 -3,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.532 80.1 88.7 -82.0 -6.3 -51.4 7.4 73.3 21 85 A V H <> S+ 0 0 0 -3,-1.0 4,-2.7 -4,-0.3 5,-0.2 0.891 80.1 53.6 -60.0 -49.5 -48.2 8.0 71.1 22 86 A H H > S+ 0 0 36 -4,-0.3 4,-2.5 -3,-0.3 -1,-0.2 0.927 112.4 42.0 -57.3 -49.3 -49.7 9.9 68.2 23 87 A D H > S+ 0 0 103 -4,-0.3 4,-2.6 2,-0.2 5,-0.2 0.889 112.7 55.1 -70.6 -35.3 -51.4 12.6 70.2 24 88 A F H X S+ 0 0 10 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.942 113.1 43.2 -52.9 -51.1 -48.4 12.9 72.5 25 89 A L H X S+ 0 0 8 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.856 110.6 56.1 -65.6 -39.5 -46.2 13.5 69.4 26 90 A L H X S+ 0 0 39 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.964 109.6 44.0 -55.9 -53.0 -48.7 15.9 67.9 27 91 A R H < S+ 0 0 106 -4,-2.6 4,-0.5 74,-0.3 -1,-0.2 0.845 114.4 52.3 -66.0 -29.5 -48.8 18.2 70.9 28 92 A L H >< S+ 0 0 25 -4,-1.6 3,-1.3 -5,-0.2 7,-0.2 0.956 111.0 44.3 -70.4 -48.7 -44.9 18.0 71.1 29 93 A F H 3< S+ 0 0 28 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.743 110.9 56.6 -71.5 -17.2 -44.3 19.0 67.5 30 94 A L T 3< S+ 0 0 64 -4,-1.6 2,-0.8 -5,-0.2 -1,-0.3 0.589 81.0 108.9 -82.1 -12.7 -46.9 21.7 67.9 31 95 A D X> - 0 0 7 -3,-1.3 4,-2.3 -4,-0.5 3,-0.8 -0.544 45.7-174.6 -76.4 102.6 -45.0 23.3 70.8 32 96 A R T 34 S+ 0 0 134 -2,-0.8 -1,-0.2 1,-0.2 -4,-0.0 0.718 84.9 62.9 -69.8 -21.3 -43.5 26.6 69.7 33 97 A D T 34 S+ 0 0 8 1,-0.1 -1,-0.2 104,-0.1 104,-0.1 0.737 110.5 39.7 -69.8 -24.2 -41.8 26.9 73.1 34 98 A L T <4 S- 0 0 46 -3,-0.8 2,-0.3 1,-0.3 -2,-0.2 0.880 131.0 -7.6 -85.3 -52.8 -39.9 23.7 72.2 35 99 A M < - 0 0 59 -4,-2.3 2,-0.5 -7,-0.2 -1,-0.3 -0.980 57.2-132.7-149.6 157.1 -39.1 24.1 68.6 36 100 A T + 0 0 130 -2,-0.3 -4,-0.1 -3,-0.1 -6,-0.0 -0.973 28.0 171.8-120.0 122.7 -39.8 26.5 65.7 37 101 A L > - 0 0 43 -2,-0.5 3,-0.8 -8,-0.1 4,-0.1 -0.944 38.4-106.1-125.2 144.8 -40.9 25.0 62.3 38 102 A P T 3 S+ 0 0 100 0, 0.0 5,-0.3 0, 0.0 4,-0.1 -0.423 107.5 7.3 -65.0 152.4 -42.1 26.8 59.3 39 103 A I T >> S+ 0 0 112 1,-0.1 4,-2.5 3,-0.1 3,-1.2 0.869 84.6 176.5 41.5 54.5 -45.9 26.3 58.8 40 104 A Q H <> + 0 0 6 -3,-0.8 4,-2.7 1,-0.3 -1,-0.1 0.866 70.0 57.3 -61.8 -44.4 -45.9 24.5 62.2 41 105 A N H 34 S+ 0 0 104 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.748 116.6 37.4 -59.0 -23.0 -49.7 23.9 62.4 42 106 A K H <> S+ 0 0 153 -3,-1.2 4,-0.8 2,-0.1 -2,-0.2 0.799 119.3 45.9 -96.1 -36.7 -49.4 22.0 59.0 43 107 A L H X S+ 0 0 53 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.865 101.6 63.4 -77.2 -39.4 -46.0 20.3 59.6 44 108 A A H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.913 102.2 49.2 -56.4 -48.4 -46.6 19.0 63.2 45 109 A P H > S+ 0 0 48 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.875 113.2 47.9 -60.3 -38.1 -49.5 16.7 62.3 46 110 A F H X S+ 0 0 120 -4,-0.8 4,-2.8 2,-0.2 -2,-0.2 0.919 114.1 45.3 -67.2 -47.5 -47.5 15.2 59.4 47 111 A I H X S+ 0 0 29 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.938 113.3 50.9 -60.3 -48.2 -44.4 14.7 61.5 48 112 A A H X S+ 0 0 0 -4,-3.3 4,-1.0 -5,-0.2 -2,-0.2 0.902 113.1 46.1 -54.3 -45.0 -46.5 13.2 64.4 49 113 A K H < S+ 0 0 138 -4,-2.2 3,-0.4 -5,-0.2 -2,-0.2 0.930 114.5 47.4 -64.7 -46.6 -48.1 10.8 62.0 50 114 A R H < S+ 0 0 173 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.794 116.4 41.9 -65.2 -33.8 -44.8 9.8 60.3 51 115 A R H X S+ 0 0 70 -4,-2.4 4,-2.3 -5,-0.2 5,-0.3 0.544 88.2 91.3 -92.5 -9.8 -42.9 9.2 63.6 52 116 A T H X S+ 0 0 14 -4,-1.0 4,-3.1 -3,-0.4 5,-0.2 0.899 85.3 50.5 -52.9 -47.4 -45.7 7.4 65.5 53 117 A P H > S+ 0 0 81 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.917 112.4 45.9 -62.3 -44.6 -44.6 3.8 64.4 54 118 A K H > S+ 0 0 95 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.915 116.2 45.1 -60.4 -47.7 -41.0 4.3 65.4 55 119 A I H X S+ 0 0 23 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.872 110.6 53.8 -68.3 -37.6 -41.9 5.8 68.8 56 120 A Q H X S+ 0 0 62 -4,-3.1 4,-2.8 -5,-0.3 -2,-0.2 0.945 108.9 50.7 -54.5 -45.0 -44.5 3.1 69.5 57 121 A E H X S+ 0 0 86 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.914 109.5 50.1 -64.3 -42.5 -41.8 0.6 68.8 58 122 A Q H X S+ 0 0 63 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.910 111.4 47.3 -60.6 -44.5 -39.5 2.3 71.3 59 123 A Y H ><>S+ 0 0 23 -4,-2.6 5,-2.7 1,-0.2 3,-1.1 0.891 108.1 56.2 -67.4 -36.6 -42.1 2.4 74.0 60 124 A R H ><5S+ 0 0 133 -4,-2.8 3,-1.9 4,-0.3 -2,-0.2 0.912 100.6 59.8 -54.4 -41.7 -42.9 -1.3 73.3 61 125 A R H 3<5S+ 0 0 89 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.690 107.6 46.1 -63.9 -18.4 -39.2 -2.0 74.0 62 126 A I T <<5S- 0 0 42 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.133 138.3 -72.2-112.4 22.7 -39.7 -0.6 77.5 63 127 A G T < 5S- 0 0 79 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.428 83.7 -63.1 109.1 1.0 -42.9 -2.3 78.5 64 128 A G S + 0 0 32 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.247 62.5 113.7 -85.9 8.9 -45.1 5.1 83.8 68 132 A I H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.850 71.9 50.9 -57.4 -39.5 -44.8 8.9 84.4 69 133 A K H > S+ 0 0 75 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.965 113.4 44.3 -64.4 -48.8 -48.4 9.5 85.5 70 134 A I H > S+ 0 0 82 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.924 117.5 44.3 -61.9 -46.2 -48.5 6.7 88.1 71 135 A W H X S+ 0 0 94 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.897 113.2 51.2 -65.7 -41.8 -45.1 7.6 89.5 72 136 A T H X S+ 0 0 1 -4,-2.7 4,-2.6 -5,-0.3 -2,-0.2 0.908 111.0 49.0 -63.4 -41.8 -45.9 11.3 89.5 73 137 A S H X S+ 0 0 24 -4,-2.5 4,-3.1 -5,-0.2 -2,-0.2 0.950 111.0 49.4 -57.8 -54.0 -49.2 10.6 91.4 74 138 A K H X S+ 0 0 105 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.903 113.8 45.0 -55.1 -47.1 -47.5 8.4 94.0 75 139 A Q H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.900 111.6 54.1 -64.1 -40.9 -44.9 11.1 94.6 76 140 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.915 109.1 48.4 -55.2 -51.2 -47.6 13.7 94.7 77 141 A E H X S+ 0 0 104 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.925 114.2 45.4 -53.5 -52.3 -49.5 11.7 97.4 78 142 A G H X S+ 0 0 10 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.905 111.8 53.0 -60.1 -43.2 -46.4 11.3 99.5 79 143 A M H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.943 110.4 46.1 -55.5 -54.5 -45.4 15.0 99.1 80 144 A V H X S+ 0 0 23 -4,-2.3 4,-2.3 2,-0.2 13,-0.3 0.865 108.4 54.9 -59.2 -43.5 -48.8 16.3 100.3 81 145 A K H X S+ 0 0 110 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.908 112.8 43.6 -62.9 -38.5 -49.0 13.9 103.3 82 146 A L H X S+ 0 0 52 -4,-1.9 4,-2.3 1,-0.2 3,-0.2 0.855 111.5 54.4 -71.5 -35.1 -45.6 15.3 104.5 83 147 A L H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 7,-0.2 0.840 99.9 59.5 -69.3 -35.6 -46.5 18.9 103.7 84 148 A D H < S+ 0 0 43 -4,-2.3 -1,-0.2 1,-0.2 7,-0.2 0.854 114.8 38.0 -62.3 -32.1 -49.7 18.8 105.8 85 149 A E H < S+ 0 0 158 -4,-0.8 -2,-0.2 -3,-0.2 -1,-0.2 0.837 119.0 47.6 -81.6 -39.4 -47.4 17.9 108.7 86 150 A L H < S+ 0 0 76 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.843 124.2 25.5 -73.4 -37.1 -44.5 20.2 107.8 87 151 A S >X + 0 0 8 -4,-3.1 3,-1.6 -5,-0.1 4,-0.9 -0.663 62.9 169.2-131.4 74.9 -46.5 23.4 107.1 88 152 A P G >4 S+ 0 0 90 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.849 75.9 65.1 -62.6 -27.7 -49.7 23.3 109.0 89 153 A N G 34 S+ 0 0 139 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.666 108.9 38.0 -65.2 -20.8 -50.4 27.0 108.2 90 154 A T G <4 S+ 0 0 5 -3,-1.6 -85,-0.3 -7,-0.2 -1,-0.2 0.465 99.5 154.2-108.0 -5.0 -50.7 26.2 104.5 91 155 A A << + 0 0 25 -4,-0.9 2,-0.1 -3,-0.5 -7,-0.0 -0.377 38.1 57.9 -66.6 144.9 -52.6 22.9 105.0 92 156 A P S S- 0 0 19 0, 0.0 -88,-2.5 0, 0.0 -87,-1.9 0.402 73.2-171.0 -84.4 144.0 -54.5 21.3 103.4 93 157 A H E -a 5 0A 9 -13,-0.3 2,-0.4 -89,-0.2 -87,-0.2 -0.682 5.5-167.4 -96.3 148.3 -52.2 20.8 100.4 94 158 A K E -a 6 0A 63 -89,-2.4 -87,-2.5 -2,-0.3 2,-0.3 -0.983 10.3-145.2-137.5 128.5 -53.4 19.3 97.1 95 159 A Y E -a 7 0A 54 -2,-0.4 2,-0.4 -89,-0.2 -87,-0.2 -0.655 12.9-167.4 -90.3 149.4 -51.1 18.2 94.3 96 160 A Y E -a 8 0A 5 -89,-2.8 -87,-3.1 -2,-0.3 2,-0.5 -0.996 18.1-131.7-131.4 138.6 -52.2 18.5 90.7 97 161 A I E -a 9 0A 18 -2,-0.4 2,-0.5 -89,-0.2 -87,-0.2 -0.786 22.0-176.1 -91.5 128.2 -50.5 16.8 87.7 98 162 A G E -a 10 0A 0 -89,-2.9 -87,-1.5 -2,-0.5 2,-0.3 -0.823 5.8-176.7-126.8 89.5 -49.8 19.2 84.7 99 163 A F E -ac 11 105A 0 5,-3.0 7,-1.5 -2,-0.5 -87,-0.3 -0.694 22.5-143.9 -88.8 144.5 -48.3 17.4 81.7 100 164 A R S S+ 0 0 29 -89,-2.0 -88,-0.2 -2,-0.3 -87,-0.2 0.900 93.2 19.0 -72.8 -37.9 -47.3 19.3 78.7 101 165 A Y S S+ 0 0 10 -89,-2.0 -74,-0.3 -90,-0.1 2,-0.3 0.344 121.0 38.8-123.1 -1.8 -48.3 16.8 76.0 102 166 A V S S- 0 0 19 2,-0.2 -3,-0.3 -90,-0.1 4,-0.1 -0.968 92.6 -42.7-144.6 161.5 -50.8 14.3 77.5 103 167 A H S S+ 0 0 102 -2,-0.3 -5,-0.1 1,-0.2 2,-0.1 -0.439 116.2 47.8 -68.1 144.6 -53.7 14.3 79.9 104 168 A P S S- 0 0 37 0, 0.0 -5,-3.0 0, 0.0 -2,-0.2 0.450 93.0-161.0 -74.5 128.4 -54.0 15.7 82.5 105 169 A L B > -c 99 0A 9 -7,-0.2 4,-2.5 -4,-0.1 3,-0.3 -0.390 31.2-109.2 -78.6 154.5 -52.7 18.7 80.5 106 170 A T H > S+ 0 0 0 -7,-1.5 4,-2.1 1,-0.3 5,-0.1 0.888 121.9 48.9 -48.8 -43.5 -51.2 21.8 82.1 107 171 A E H > S+ 0 0 57 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.872 108.5 51.5 -67.6 -40.1 -54.4 23.7 81.1 108 172 A E H > S+ 0 0 79 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.885 111.5 49.2 -66.3 -36.3 -56.8 21.1 82.4 109 173 A A H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.870 108.6 51.3 -67.9 -38.8 -54.9 21.2 85.7 110 174 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.939 109.3 51.9 -64.9 -44.8 -55.0 25.1 85.8 111 175 A E H X S+ 0 0 76 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.900 110.3 47.8 -56.7 -46.8 -58.8 25.0 85.3 112 176 A E H X S+ 0 0 84 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.930 109.4 53.0 -60.4 -44.3 -59.3 22.5 88.1 113 177 A M H <>S+ 0 0 0 -4,-2.4 5,-1.2 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L H <>S+ 0 0 2 -4,-2.5 5,-2.9 2,-0.2 3,-0.4 0.878 111.4 47.7 -64.9 -42.2 -28.2 40.8 76.6 619 823 B C H ><5S+ 0 0 1 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.898 108.5 54.5 -65.9 -40.7 -28.0 44.6 75.9 620 824 B E H 3<5S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.715 109.3 51.8 -61.3 -17.6 -30.4 44.2 73.0 621 825 B R T 3<5S- 0 0 68 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.138 129.2 -92.2-111.6 15.2 -32.8 42.6 75.6 622 826 B G T < 5S+ 0 0 33 -3,-1.6 2,-0.9 1,-0.2 -3,-0.2 0.462 82.3 132.0 97.1 2.8 -32.6 45.3 78.2 623 827 B R < + 0 0 25 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.783 21.1 166.4 -92.2 104.7 -29.7 44.1 80.4 624 828 B K + 0 0 60 -2,-0.9 35,-2.3 34,-0.1 36,-2.3 0.389 56.6 63.2-102.8 -2.9 -27.5 47.2 80.7 625 829 B N E + q 0 660E 3 -74,-0.3 -72,-2.3 34,-0.2 2,-0.4 -0.979 61.7 172.7-131.3 115.6 -25.3 46.2 83.6 626 830 B I E -nq 553 661E 0 34,-2.7 36,-2.4 -2,-0.4 2,-0.6 -0.988 18.6-162.0-133.2 131.4 -22.9 43.2 83.1 627 831 B L E -nq 554 662E 0 -74,-3.1 -72,-2.8 -2,-0.4 2,-0.4 -0.969 14.8-152.6-115.5 112.1 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-46.8-150.1-178.8 -5.4 37.6 79.9 638 842 B I - 0 0 39 -2,-0.2 -219,-0.1 1,-0.1 -220,-0.0 -0.418 60.6-134.6 -67.2 134.5 -6.7 38.8 76.6 639 843 B E - 0 0 66 -221,-0.2 2,-0.1 -2,-0.1 -1,-0.1 -0.107 19.1 -94.1 -90.9 175.2 -10.0 40.6 76.9 640 844 B T >> - 0 0 5 1,-0.1 4,-1.8 -29,-0.0 3,-1.2 -0.443 36.3 -99.6 -94.2 168.0 -13.2 40.4 74.8 641 845 B L H 3> S+ 0 0 58 1,-0.3 4,-2.8 2,-0.2 8,-0.2 0.849 120.1 47.9 -49.2 -50.3 -14.4 42.5 71.8 642 846 B Y H 34 S+ 0 0 19 1,-0.2 -1,-0.3 2,-0.2 19,-0.1 0.677 113.6 49.4 -71.0 -16.6 -16.8 44.8 73.8 643 847 B E H <4 S+ 0 0 47 -3,-1.2 -1,-0.2 5,-0.0 -2,-0.2 0.806 124.7 26.3 -85.8 -31.0 -14.1 45.4 76.4 644 848 B L H < S+ 0 0 15 -4,-1.8 2,-0.7 -3,-0.2 -2,-0.2 0.810 103.0 73.2-104.3 -43.2 -11.4 46.3 73.8 645 849 B D X - 0 0 45 -4,-2.8 4,-2.0 -5,-0.2 5,-0.2 -0.708 53.5-168.1 -87.3 115.3 -12.9 47.6 70.6 646 850 B I H > S+ 0 0 98 -2,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.833 86.7 59.0 -73.4 -30.6 -14.2 51.1 71.0 647 851 B E H > S+ 0 0 124 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.936 110.8 43.6 -58.1 -46.1 -16.0 51.1 67.6 648 852 B Y H > S+ 0 0 118 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.899 113.2 48.0 -66.1 -46.2 -18.0 48.1 68.9 649 853 B S H X S+ 0 0 28 -4,-2.0 4,-2.0 -8,-0.2 -1,-0.2 0.792 109.1 56.7 -69.1 -27.0 -18.8 49.3 72.4 650 854 B Q H X S+ 0 0 84 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.950 107.9 46.1 -62.9 -54.2 -19.9 52.7 70.9 651 855 B V H X S+ 0 0 67 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.911 110.0 55.4 -54.8 -47.6 -22.5 51.0 68.6 652 856 B L H X>S+ 0 0 2 -4,-2.1 4,-3.0 1,-0.2 5,-0.8 0.948 109.5 44.7 -52.0 -55.9 -23.7 48.9 71.6 653 857 B A H <5S+ 0 0 43 -4,-2.0 4,-0.5 4,-0.2 -1,-0.2 0.788 113.3 51.7 -62.6 -30.6 -24.4 51.9 73.8 654 858 B K H <5S+ 0 0 154 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.937 120.1 32.7 -70.3 -46.2 -26.1 53.9 70.9 655 859 B E H <5S+ 0 0 138 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.905 140.2 13.3 -79.1 -46.0 -28.5 51.0 70.0 656 860 B C T <5S- 0 0 16 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.1 0.449 93.8-124.9-115.8 -4.9 -29.2 49.4 73.4 657 861 B G < - 0 0 30 -5,-0.8 -4,-0.2 -4,-0.5 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3,-2.1 1,-0.2 6,-0.2 0.840 75.1 139.4 -53.8 -27.9 -7.1 36.0 91.4 668 872 B N T 3 S- 0 0 23 -34,-1.4 -1,-0.2 1,-0.2 -233,-0.1 0.080 74.0 -6.5 31.0-103.9 -3.6 37.4 90.7 669 873 B G T 3 S+ 0 0 36 -3,-0.3 -1,-0.2 -235,-0.1 5,-0.1 0.326 84.5 139.0-108.9 6.6 -1.9 38.3 94.1 670 874 B N X> - 0 0 36 -3,-2.1 3,-1.3 -4,-0.2 4,-1.1 -0.335 48.7-143.8 -55.8 121.4 -4.8 37.8 96.6 671 875 B P H 3> S+ 0 0 100 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.714 98.8 63.6 -67.4 -19.8 -3.2 36.0 99.6 672 876 B L H 3> S+ 0 0 33 2,-0.2 4,-1.9 1,-0.2 -140,-0.1 0.762 99.8 56.9 -75.2 -22.0 -6.3 33.9 100.2 673 877 B F H <> S+ 0 0 4 -3,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.921 104.9 48.1 -69.0 -44.6 -5.4 32.5 96.8 674 878 B S H X S+ 0 0 11 -4,-1.1 4,-2.5 1,-0.2 -2,-0.2 0.894 110.2 53.7 -61.0 -36.8 -1.9 31.5 98.2 675 879 B K H X S+ 0 0 113 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.907 107.1 51.3 -61.8 -41.2 -3.7 30.0 101.1 676 880 B A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.951 110.2 48.7 -55.1 -53.6 -5.8 28.0 98.6 677 881 B L H X S+ 0 0 0 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S- 0 0 5 -3,-1.8 -1,-0.1 -4,-0.2 -464,-0.1 -0.955 73.5-153.4-115.1 117.7 -10.4 7.7 83.0 698 902 B S - 0 0 39 -2,-0.5 -437,-0.1 -437,-0.1 -2,-0.0 -0.378 41.2 -75.9 -83.4 165.4 -9.4 8.9 79.5 699 903 B C > - 0 0 5 1,-0.1 3,-1.5 2,-0.1 -130,-0.2 -0.283 43.1-119.2 -56.3 143.6 -11.9 10.7 77.2 700 904 B P T 3 S+ 0 0 0 0, 0.0 -131,-0.2 0, 0.0 -1,-0.1 0.822 114.7 31.2 -56.4 -27.0 -14.4 8.1 75.7 701 905 B L T 3 S+ 0 0 42 -133,-2.2 -132,-0.1 -441,-0.0 -2,-0.1 -0.054 83.2 151.4-122.5 25.2 -13.1 9.2 72.2 702 906 B C < - 0 0 20 -3,-1.5 -4,-0.0 -134,-0.2 -133,-0.0 -0.362 20.3-178.5 -51.7 131.9 -9.5 10.0 73.0 703 907 B V + 0 0 119 -2,-0.1 -1,-0.1 1,-0.0 3,-0.0 0.127 51.9 100.3-123.0 20.0 -7.3 9.4 70.0 704 908 B N >> - 0 0 38 1,-0.1 3,-1.4 -311,-0.1 4,-0.5 -0.902 55.7-161.8-108.3 107.7 -4.0 10.4 71.6 705 909 B P H 3> S+ 0 0 95 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.684 86.3 68.4 -66.4 -13.3 -2.0 7.3 72.7 706 910 B V H 3> S+ 0 0 20 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.858 84.4 71.8 -72.5 -31.2 0.1 9.5 75.0 707 911 B C H <> S+ 0 0 21 -3,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.916 100.1 42.2 -51.3 -50.5 -2.8 10.1 77.3 708 912 B R H X S+ 0 0 154 -4,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.882 111.8 56.5 -66.5 -33.3 -2.9 6.6 78.8 709 913 B E H X S+ 0 0 80 -4,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.925 108.9 46.6 -60.8 -43.6 0.9 6.6 79.0 710 914 B T H X S+ 0 0 4 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.925 110.0 53.6 -66.5 -41.3 0.8 9.7 81.1 711 915 B K H X S+ 0 0 56 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 0.951 110.9 45.2 -53.6 -54.0 -2.0 8.3 83.3 712 916 B S H X S+ 0 0 39 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.842 105.3 63.4 -61.8 -34.4 0.0 5.1 84.0 713 917 B F H < S+ 0 0 28 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.951 112.6 34.9 -51.0 -53.1 3.1 7.3 84.7 714 918 B F H >< S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.906 117.5 48.6 -70.5 -45.0 1.3 8.9 87.6 715 919 B T H 3< S+ 0 0 43 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.798 112.7 51.6 -69.4 -26.4 -0.7 5.9 89.0 716 920 B S T 3< S+ 0 0 92 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.431 81.4 127.4 -88.1 -2.8 2.4 3.7 88.9 717 921 B Q S < S- 0 0 28 -3,-1.0 -201,-0.1 -4,-0.3 -3,-0.1 -0.214 71.4 -95.3 -61.6 143.5 4.8 6.1 90.9 718 922 B Q 0 0 140 -203,-0.1 -1,-0.1 1,-0.1 -2,-0.0 -0.312 360.0 360.0 -57.6 137.0 6.6 4.8 93.9 719 923 B L 0 0 132 -3,-0.1 -1,-0.1 -203,-0.0 -29,-0.1 -0.730 360.0 360.0 93.8 360.0 4.8 5.6 97.2