==== 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 LIGASE 26-JAN-99 1B70 . COMPND 2 MOLECULE: PHENYLALANYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR L.RESHETNIKOVA,N.MOOR,O.LAVRIK,D.G.VASSYLYEV . 1041 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45611.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 696 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 216 20.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 88 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 219 21.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 4 1 1 0 2 3 3 2 2 1 2 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 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 0 PARALLEL BRIDGES PER LADDER . 9 8 8 1 7 3 2 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 4 1 0 2 1 2 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 86 A V 0 0 177 0, 0.0 2,-1.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 146.1 2.8 16.9 -18.3 2 87 A D > - 0 0 94 1,-0.2 3,-0.9 2,-0.1 0, 0.0 -0.605 360.0-180.0 -76.1 102.4 0.9 20.0 -17.2 3 88 A V T 3 S+ 0 0 128 -2,-1.2 -1,-0.2 1,-0.2 4,-0.0 0.800 71.9 71.3 -75.0 -27.2 3.7 22.5 -16.8 4 89 A S T 3 S+ 0 0 103 -3,-0.1 -1,-0.2 2,-0.0 3,-0.1 0.622 78.6 112.2 -64.3 -8.7 1.4 25.3 -15.7 5 90 A L S < S- 0 0 79 -3,-0.9 2,-0.1 1,-0.1 0, 0.0 -0.185 80.3 -95.5 -62.8 155.4 0.9 23.4 -12.5 6 91 A P - 0 0 74 0, 0.0 858,-0.2 0, 0.0 -1,-0.1 -0.472 40.1-135.4 -73.9 143.7 2.3 24.8 -9.2 7 92 A G - 0 0 55 1,-0.2 2,-0.3 -2,-0.1 854,-0.1 -0.047 48.2 -44.2 -85.2-168.1 5.7 23.5 -8.1 8 93 A A - 0 0 55 1,-0.1 2,-1.0 854,-0.1 854,-0.2 -0.436 65.2-110.6 -64.1 119.2 6.9 22.4 -4.7 9 94 A S + 0 0 21 852,-2.9 2,-0.4 -2,-0.3 852,-0.2 -0.279 50.1 178.6 -52.8 92.5 5.7 24.8 -2.0 10 95 A L - 0 0 115 -2,-1.0 2,-0.4 850,-0.1 762,-0.1 -0.832 32.7-104.5-104.5 142.4 9.1 26.3 -1.1 11 96 A F - 0 0 27 -2,-0.4 2,-0.7 760,-0.1 762,-0.1 -0.457 27.1-159.2 -70.6 120.5 9.5 29.0 1.5 12 97 A S - 0 0 82 -2,-0.4 758,-0.1 760,-0.1 823,-0.1 -0.870 16.1-155.3-102.0 108.5 10.1 32.5 0.2 13 98 A G - 0 0 13 -2,-0.7 761,-0.3 756,-0.7 2,-0.3 -0.123 11.3-172.0 -76.2 174.5 11.7 34.7 2.8 14 99 A G B -a 774 0A 3 759,-1.8 761,-0.8 249,-0.0 2,-0.4 -0.921 17.8-113.9-154.8 178.2 11.7 38.5 3.2 15 100 A L - 0 0 13 246,-0.4 249,-0.1 -2,-0.3 246,-0.1 -0.931 31.4-103.1-126.7 151.1 13.1 41.3 5.2 16 101 A H > - 0 0 0 -2,-0.4 4,-2.2 1,-0.1 3,-0.3 -0.498 29.5-125.8 -71.5 135.3 11.7 43.8 7.6 17 102 A P H > S+ 0 0 0 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.782 111.6 55.2 -48.1 -37.6 11.2 47.3 6.1 18 103 A I H > S+ 0 0 0 2,-0.2 4,-4.3 1,-0.2 5,-0.3 0.956 107.9 49.3 -64.1 -48.1 13.2 48.9 8.9 19 104 A T H > S+ 0 0 3 -3,-0.3 4,-3.4 2,-0.2 -1,-0.2 0.922 113.5 47.2 -55.0 -44.8 16.1 46.6 8.0 20 105 A L H X S+ 0 0 4 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.966 115.9 43.3 -61.6 -53.3 15.6 47.6 4.3 21 106 A M H X S+ 0 0 0 -4,-3.4 4,-3.2 2,-0.2 5,-0.3 0.937 114.7 50.2 -57.1 -49.6 15.4 51.3 5.1 22 107 A E H X S+ 0 0 14 -4,-4.3 4,-3.0 -5,-0.2 -2,-0.2 0.971 112.4 48.6 -51.8 -56.0 18.3 50.9 7.5 23 108 A R H X S+ 0 0 55 -4,-3.4 4,-3.2 -5,-0.3 5,-0.3 0.919 111.2 49.2 -49.5 -54.0 20.3 49.1 4.8 24 109 A E H X S+ 0 0 53 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.938 112.5 46.8 -53.8 -53.4 19.5 51.8 2.2 25 110 A L H X S+ 0 0 3 -4,-3.2 4,-2.2 1,-0.2 5,-0.2 0.905 113.5 50.2 -56.4 -42.8 20.5 54.6 4.5 26 111 A V H X S+ 0 0 3 -4,-3.0 4,-2.6 -5,-0.3 5,-0.2 0.952 106.7 52.0 -62.7 -50.3 23.7 52.8 5.4 27 112 A E H X S+ 0 0 105 -4,-3.2 4,-1.4 1,-0.2 -1,-0.2 0.902 109.2 55.1 -54.6 -36.8 24.7 52.0 1.9 28 113 A I H >< S+ 0 0 23 -4,-2.1 3,-0.7 -5,-0.3 4,-0.3 0.970 111.9 38.6 -59.4 -58.2 24.2 55.8 1.3 29 114 A F H ><>S+ 0 0 1 -4,-2.2 5,-2.5 1,-0.2 3,-1.4 0.771 107.4 66.2 -65.1 -26.7 26.6 57.0 4.0 30 115 A R H ><5S+ 0 0 43 -4,-2.6 3,-2.1 1,-0.3 -1,-0.2 0.887 94.0 59.7 -62.4 -36.4 29.0 54.2 3.2 31 116 A A T <<5S+ 0 0 89 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.617 103.8 51.2 -68.6 -11.1 29.6 55.8 -0.2 32 117 A L T < 5S- 0 0 45 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.187 129.5 -97.2-107.2 14.3 30.8 58.9 1.7 33 118 A G T < 5S+ 0 0 38 -3,-2.1 2,-0.3 1,-0.3 77,-0.2 0.679 73.8 147.3 82.7 17.5 33.2 56.8 3.8 34 119 A Y < - 0 0 9 -5,-2.5 2,-0.4 -8,-0.1 -1,-0.3 -0.687 35.9-146.7 -87.0 143.9 31.0 56.4 6.8 35 120 A Q E -h 111 0B 43 75,-1.9 77,-2.1 -2,-0.3 2,-0.4 -0.915 11.9-127.6-112.1 135.4 31.4 53.1 8.7 36 121 A A E +h 112 0B 1 -2,-0.4 722,-0.3 75,-0.2 2,-0.3 -0.669 34.4 160.6 -88.2 135.4 28.6 51.5 10.6 37 122 A V - 0 0 22 75,-1.8 2,-0.2 -2,-0.4 718,-0.1 -0.988 23.2-140.1-150.3 141.6 28.8 50.4 14.3 38 123 A E - 0 0 48 -2,-0.3 77,-0.1 75,-0.1 75,-0.0 -0.675 8.3-157.6-108.4 160.5 26.2 49.6 16.9 39 124 A G - 0 0 8 75,-0.4 2,-0.3 -2,-0.2 4,-0.1 -0.551 34.9 -75.4-120.0-174.2 25.9 50.3 20.6 40 125 A P - 0 0 23 0, 0.0 51,-0.1 0, 0.0 57,-0.1 -0.664 21.3-146.3 -89.9 142.3 23.9 48.7 23.6 41 126 A E S S+ 0 0 11 -2,-0.3 50,-2.6 1,-0.1 2,-0.7 0.818 93.8 62.0 -72.9 -33.1 20.2 49.2 24.0 42 127 A V E S+O 90 0C 0 48,-0.2 48,-0.2 46,-0.0 2,-0.2 -0.875 77.9 169.6 -98.5 116.8 20.7 49.2 27.8 43 128 A E E -O 89 0C 2 46,-1.3 46,-1.7 -2,-0.7 2,-0.3 -0.612 34.9-103.7-119.4 176.5 22.9 52.1 28.8 44 129 A S E >> -O 88 0C 0 -2,-0.2 4,-2.4 44,-0.2 3,-0.6 -0.802 30.1-120.4-102.0 143.9 24.2 54.0 31.9 45 130 A E H 3>>S+ 0 0 22 42,-2.3 4,-2.1 -2,-0.3 5,-1.4 0.776 113.8 64.2 -54.3 -22.0 22.7 57.4 32.8 46 131 A F H 34>S+ 0 0 49 39,-0.2 5,-3.6 3,-0.2 6,-0.3 0.942 108.2 33.9 -67.3 -50.5 26.3 58.5 32.4 47 132 A F H <45S+ 0 0 0 -3,-0.6 5,-0.3 3,-0.2 -2,-0.2 0.848 121.7 49.6 -74.6 -34.5 26.6 57.8 28.6 48 133 A N H <5S- 0 0 0 -4,-2.4 -2,-0.2 3,-0.1 -3,-0.2 0.874 135.3 -4.1 -73.9 -38.5 23.0 58.6 27.9 49 134 A F T ><>S+ 0 0 0 -4,-2.1 5,-1.5 -5,-0.3 3,-0.6 0.733 126.6 49.5-119.1 -69.7 22.9 62.0 29.7 50 135 A D T 3 > S- 0 0 77 1,-0.1 3,-1.0 552,-0.0 4,-0.8 -0.731 88.5 -97.2-108.7 161.2 17.5 71.1 34.5 59 144 A P T 34 S+ 0 0 24 0, 0.0 370,-0.1 0, 0.0 569,-0.1 0.580 113.7 66.3 -42.5 -23.0 15.0 71.5 31.5 60 145 A A T >4 S+ 0 0 4 1,-0.2 3,-2.2 2,-0.2 4,-0.3 0.960 94.2 52.6 -69.5 -54.9 17.2 69.5 29.1 61 146 A R G X4 S+ 0 0 22 -3,-1.0 3,-1.3 -6,-0.3 -1,-0.2 0.834 101.8 69.5 -49.3 -29.4 17.0 66.1 30.9 62 147 A D G 3< S+ 0 0 63 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.190 81.2 71.4 -77.4 14.6 13.2 66.8 30.6 63 148 A M G < S+ 0 0 62 -3,-2.2 2,-0.5 1,-0.2 -1,-0.2 0.534 92.6 60.2-104.8 -11.2 13.2 66.5 26.7 64 149 A W S < S- 0 0 16 -3,-1.3 2,-1.3 -4,-0.3 -1,-0.2 -0.960 73.8-147.3-121.6 114.1 13.6 62.7 26.8 65 150 A D - 0 0 82 -2,-0.5 55,-3.4 27,-0.1 2,-0.2 -0.671 32.0-159.0 -82.0 99.0 11.0 60.5 28.6 66 151 A T - 0 0 13 -2,-1.3 2,-0.6 53,-0.2 53,-0.1 -0.472 20.1-134.4 -89.6 151.7 13.3 57.7 29.9 67 152 A F - 0 0 0 23,-0.4 23,-1.3 51,-0.3 2,-0.3 -0.874 25.2-151.1 -96.8 116.4 12.6 54.2 31.0 68 153 A W B -P 89 0C 43 -2,-0.6 732,-2.2 21,-0.2 733,-0.6 -0.687 12.0-152.7 -90.6 146.6 14.5 53.5 34.2 69 154 A L E -Q 799 0D 10 19,-2.2 19,-0.3 -2,-0.3 2,-0.3 -0.684 12.4-171.8-114.6 170.4 15.6 50.0 35.0 70 155 A T E +Q 798 0D 61 728,-1.6 728,-3.0 -2,-0.2 2,-0.2 -0.974 29.3 101.7-154.4 154.9 16.3 47.8 38.1 71 156 A G - 0 0 35 -2,-0.3 3,-0.3 726,-0.2 2,-0.2 -0.510 49.5-111.7 140.3 151.1 17.8 44.4 38.8 72 157 A E S S+ 0 0 174 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 -0.662 83.9 36.4-112.7 168.5 21.1 42.9 40.0 73 158 A G S S+ 0 0 40 1,-0.3 2,-0.5 -2,-0.2 -1,-0.2 0.530 77.4 135.6 73.9 4.5 23.9 40.8 38.5 74 159 A F - 0 0 27 -3,-0.3 2,-0.6 722,-0.1 -1,-0.3 -0.767 44.3-151.7 -87.0 127.8 23.5 42.6 35.3 75 160 A R - 0 0 88 770,-4.3 2,-0.5 -2,-0.5 772,-0.5 -0.891 6.4-162.7-105.1 117.5 26.9 43.6 33.9 76 161 A L - 0 0 13 -2,-0.6 8,-1.3 8,-0.3 2,-0.4 -0.873 14.6-140.5 -99.9 130.6 27.1 46.7 31.7 77 162 A E B -T 83 0E 85 -2,-0.5 6,-0.2 6,-0.2 5,-0.1 -0.738 8.0-144.9 -95.4 136.3 30.2 47.0 29.6 78 163 A G > - 0 0 5 4,-3.4 3,-2.2 -2,-0.4 -1,-0.0 -0.288 44.2 -80.9 -85.9 177.5 32.0 50.2 28.9 79 164 A P T 3 S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.747 132.4 40.8 -51.4 -26.5 33.8 51.2 25.7 80 165 A L T 3 S- 0 0 85 2,-0.0 3,-0.1 23,-0.0 -2,-0.0 -0.010 123.9 -95.6-113.4 29.1 36.9 49.1 26.7 81 166 A G S < S+ 0 0 33 -3,-2.2 3,-0.0 1,-0.2 2,-0.0 0.446 85.1 133.0 74.7 -2.0 35.1 46.1 28.2 82 167 A E - 0 0 36 -5,-0.1 -4,-3.4 1,-0.1 2,-0.4 -0.252 64.5-104.0 -73.7 168.3 35.4 47.6 31.7 83 168 A E B -T 77 0E 84 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.820 39.6-163.8 -96.2 135.4 32.4 47.7 34.0 84 169 A V - 0 0 19 -8,-1.3 -8,-0.3 -2,-0.4 2,-0.3 -0.777 4.9-140.3-117.9 163.1 30.8 51.0 34.3 85 170 A E + 0 0 154 -2,-0.3 -39,-0.2 -41,-0.0 2,-0.2 -0.800 40.7 101.9-120.1 164.9 28.3 52.5 36.9 86 171 A G S S- 0 0 40 -2,-0.3 -2,-0.0 -41,-0.1 2,-0.0 -0.575 77.3 -55.4 139.2 156.2 25.3 54.7 36.8 87 172 A R - 0 0 127 -2,-0.2 -42,-2.3 -43,-0.1 -41,-0.2 -0.377 63.8-121.5 -59.6 135.9 21.5 54.3 37.1 88 173 A L E +O 44 0C 36 -19,-0.3 -19,-2.2 -44,-0.2 2,-0.3 -0.514 44.9 148.3 -81.5 151.7 20.5 51.9 34.3 89 174 A L E -OP 43 68C 0 -46,-1.7 -46,-1.3 -21,-0.3 2,-0.5 -0.912 50.1 -82.5-162.1-177.2 18.0 52.9 31.7 90 175 A L E -O 42 0C 3 -23,-1.3 -23,-0.4 -2,-0.3 -48,-0.2 -0.918 58.1 -97.2-104.2 125.3 17.0 52.3 28.0 91 176 A R - 0 0 3 -50,-2.6 27,-2.5 -2,-0.5 3,-0.1 -0.106 31.1-157.6 -43.5 127.4 19.0 54.4 25.6 92 177 A T S S- 0 0 0 25,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.562 73.3 -9.3 -87.8 -11.9 16.9 57.3 24.8 93 178 A H S S- 0 0 0 23,-0.1 -1,-0.2 -29,-0.1 25,-0.1 -0.921 77.8 -99.4-170.1 173.8 18.6 58.0 21.5 94 179 A T S > S+ 0 0 0 -2,-0.3 3,-1.7 1,-0.2 4,-0.4 0.564 92.2 100.0 -88.1 -5.2 21.7 56.7 19.8 95 180 A S T >> + 0 0 0 1,-0.3 3,-2.0 2,-0.2 4,-0.8 0.792 66.3 71.7 -48.6 -39.5 24.0 59.6 20.8 96 181 A P H >> S+ 0 0 1 0, 0.0 4,-1.7 0, 0.0 3,-1.2 0.908 89.2 63.1 -46.9 -39.5 25.6 57.8 23.7 97 182 A M H <> S+ 0 0 20 -3,-1.7 4,-2.9 1,-0.3 5,-0.3 0.828 89.6 69.5 -52.4 -33.7 27.4 55.7 21.1 98 183 A Q H <> S+ 0 0 2 -3,-2.0 4,-1.9 -4,-0.4 -1,-0.3 0.926 106.0 39.3 -48.7 -50.1 29.1 59.0 20.0 99 184 A V H < S+ 0 0 0 -4,-1.9 3,-0.8 -5,-0.3 -2,-0.2 0.908 110.8 52.0 -63.2 -42.3 35.4 58.4 20.8 103 188 A V H 3< S+ 0 0 1 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.921 115.9 43.4 -58.5 -43.0 36.7 57.1 24.1 104 189 A A H 3< S+ 0 0 34 -4,-2.0 -1,-0.2 -5,-0.4 2,-0.2 0.499 117.6 40.7 -81.4 -7.1 37.7 53.9 22.2 105 190 A H << - 0 0 39 -4,-0.8 116,-0.1 -3,-0.8 4,-0.1 -0.762 68.1-115.0-138.5-176.6 39.2 55.5 19.1 106 191 A T - 0 0 53 -2,-0.2 642,-0.2 2,-0.1 645,-0.1 -0.959 43.2 -86.7-124.5 136.0 41.3 58.2 17.4 107 192 A P S S+ 0 0 20 0, 0.0 33,-0.2 0, 0.0 643,-0.1 -0.315 86.1 66.3 -73.4 163.8 40.3 60.9 15.0 108 193 A P S S+ 0 0 34 0, 0.0 640,-1.8 0, 0.0 2,-0.3 0.561 75.2 126.0 -85.9 154.6 39.9 61.5 12.2 109 194 A F E - I 0 139B 2 30,-2.2 30,-1.1 638,-0.2 2,-0.4 -0.984 46.2-141.3-161.8 168.3 36.9 59.3 11.4 110 195 A R E + I 0 138B 33 -2,-0.3 -75,-1.9 -77,-0.2 2,-0.3 -0.967 29.0 168.9-138.3 116.9 33.3 59.0 10.0 111 196 A I E -hI 35 137B 2 26,-3.4 26,-2.4 -2,-0.4 2,-0.4 -0.863 19.4-160.6-128.5 167.1 30.8 56.7 11.7 112 197 A V E -hI 36 136B 2 -77,-2.1 -75,-1.8 -2,-0.3 24,-0.3 -0.995 10.1-155.6-143.5 137.7 27.1 56.1 11.5 113 198 A V E - I 0 135B 2 22,-4.5 22,-2.7 -2,-0.4 -75,-0.1 -0.822 7.7-173.7-128.9 100.3 25.1 54.4 14.2 114 199 A P E + I 0 134B 2 0, 0.0 -75,-0.4 0, 0.0 20,-0.2 -0.447 26.2 141.2 -77.5 162.2 21.9 52.6 13.5 115 200 A G E - I 0 133B 4 18,-1.2 18,-2.1 -77,-0.1 2,-0.3 -0.706 51.9 -99.6 164.0 145.0 20.0 51.3 16.6 116 201 A R E - I 0 132B 12 16,-0.2 16,-0.3 -2,-0.2 2,-0.3 -0.619 41.9-169.3 -78.4 129.3 16.7 50.8 18.3 117 202 A V E - I 0 131B 0 14,-3.8 14,-2.0 -2,-0.3 2,-0.4 -0.788 10.2-138.6-117.9 164.7 15.9 53.4 21.0 118 203 A F E + I 0 130B 2 -27,-2.5 2,-0.4 -2,-0.3 -51,-0.3 -0.981 18.4 173.0-131.9 134.7 13.2 53.7 23.7 119 204 A R - 0 0 41 10,-2.6 2,-1.1 -2,-0.4 -53,-0.2 -1.000 37.6-118.1-137.2 133.8 11.1 56.6 24.9 120 205 A F + 0 0 73 -55,-3.4 2,-0.3 -2,-0.4 -55,-0.1 -0.623 64.9 128.2 -74.5 104.1 8.2 56.5 27.5 121 206 A E - 0 0 70 -2,-1.1 2,-0.6 6,-0.0 -2,-0.1 -0.981 64.9 -94.6-154.2 159.4 5.3 57.7 25.3 122 207 A Q - 0 0 143 -2,-0.3 2,-0.5 6,-0.1 5,-0.0 -0.728 45.2-122.2 -87.1 119.4 1.7 56.6 24.4 123 208 A T + 0 0 42 -2,-0.6 5,-0.2 2,-0.1 2,-0.2 -0.447 46.0 152.0 -66.4 109.3 1.8 54.7 21.1 124 209 A D B > -U 127 0F 56 3,-1.7 3,-0.7 -2,-0.5 124,-0.1 -0.539 61.5 -69.6-124.3-170.8 -0.4 56.1 18.3 125 210 A A T 3 S+ 0 0 37 1,-0.2 122,-2.0 -2,-0.2 123,-0.1 0.631 132.7 18.3 -58.3 -17.4 -0.5 56.2 14.5 126 211 A T T 3 S+ 0 0 53 120,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.252 117.4 70.2-138.0 10.3 2.7 58.4 14.3 127 212 A H B < +U 124 0F 79 -3,-0.7 -3,-1.7 -5,-0.0 2,-0.3 -0.994 52.5 176.2-136.3 129.8 4.3 58.0 17.7 128 213 A E - 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0 0 9 -4,-3.5 3,-2.0 -5,-0.3 4,-0.2 0.326 5.8-116.4 110.2 122.7 21.7 82.9 8.4 735 469 B Y G > S+ 0 0 7 1,-0.3 3,-1.4 -442,-0.3 -566,-0.1 0.799 114.4 63.2 -56.4 -26.5 22.4 79.1 8.3 736 470 B E G 3 S+ 0 0 139 1,-0.3 -1,-0.3 -568,-0.1 -2,-0.1 0.711 90.2 66.0 -72.2 -18.8 21.6 79.2 4.5 737 471 B T G < S+ 0 0 60 -3,-2.0 -1,-0.3 -7,-0.2 -2,-0.2 0.441 79.1 101.1 -81.3 -0.9 24.6 81.5 3.9 738 472 B I S < S- 0 0 5 -3,-1.4 -55,-0.1 -4,-0.2 -56,-0.1 -0.756 74.9-128.3 -86.6 129.8 26.9 78.6 5.0 739 473 B P - 0 0 63 0, 0.0 2,-0.4 0, 0.0 -589,-0.2 -0.041 17.9-105.7 -69.5 174.2 28.4 77.0 1.9 740 474 B L + 0 0 81 -591,-0.1 2,-0.3 -590,-0.1 -593,-0.2 -0.869 46.7 153.4-106.9 138.4 28.4 73.3 1.0 741 475 B A - 0 0 36 -595,-1.7 -591,-0.5 -2,-0.4 -590,-0.3 -0.971 32.1-138.3-156.2 168.1 31.5 71.1 1.3 742 476 B L - 0 0 103 -2,-0.3 2,-0.2 -592,-0.1 -595,-0.1 -0.998 22.8-129.2-136.1 133.4 32.9 67.7 1.7 743 477 B P - 0 0 28 0, 0.0 2,-0.4 0, 0.0 -601,-0.0 -0.535 16.5-163.1 -84.0 151.3 35.8 66.6 3.9 744 478 B A + 0 0 96 -2,-0.2 2,-0.3 2,-0.0 -2,-0.0 -0.992 26.3 132.4-135.5 124.4 38.7 64.4 2.7 745 479 B F - 0 0 49 -2,-0.4 -605,-0.0 -637,-0.0 0, 0.0 -0.988 56.1-106.8-165.1 159.6 41.2 62.6 5.0 746 480 B F - 0 0 191 -2,-0.3 2,-0.1 -637,-0.0 -2,-0.0 -0.865 50.4-121.2 -93.3 118.8 42.9 59.3 5.6 747 481 B P - 0 0 38 0, 0.0 -638,-0.2 0, 0.0 5,-0.1 -0.341 31.4 -90.4 -64.3 139.3 41.2 58.0 8.8 748 482 B A > - 0 0 9 -640,-1.8 3,-1.5 -642,-0.2 4,-0.2 -0.103 42.7-116.9 -43.8 141.7 43.2 57.2 11.9 749 483 B P G > S+ 0 0 100 0, 0.0 3,-2.5 0, 0.0 4,-0.2 0.836 107.7 67.4 -56.7 -37.4 44.3 53.5 11.7 750 484 B D G 3 S+ 0 0 69 1,-0.3 4,-0.2 2,-0.1 -2,-0.1 0.515 94.5 61.1 -66.7 -0.3 42.5 52.3 14.7 751 485 B N G < S+ 0 0 4 -3,-1.5 -1,-0.3 -643,-0.1 -3,-0.1 0.512 78.3 102.1 -99.5 -7.1 39.3 52.9 12.8 752 486 B R S < S+ 0 0 150 -3,-2.5 3,-0.5 1,-0.2 -2,-0.1 0.895 85.5 25.5 -41.1 -78.3 40.2 50.4 10.0 753 487 B G S > S+ 0 0 57 -4,-0.2 3,-2.5 1,-0.2 -1,-0.2 0.792 83.7 120.3 -63.5 -33.8 38.2 47.1 10.6 754 488 B V T 3 + 0 0 25 1,-0.3 4,-0.4 -4,-0.2 -1,-0.2 0.416 65.4 58.5 -1.2 -53.8 35.3 48.7 12.5 755 489 B E T 3> S+ 0 0 16 -3,-0.5 4,-2.9 1,-0.2 -1,-0.3 0.733 78.1 94.5 -64.6 -24.7 32.4 47.7 10.2 756 490 B A H <> S+ 0 0 58 -3,-2.5 4,-3.9 1,-0.2 5,-0.2 0.836 83.2 46.7 -33.2 -64.7 33.1 43.9 10.3 757 491 B P H > S+ 0 0 94 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.910 116.6 43.2 -47.7 -58.1 30.6 43.0 13.2 758 492 B Y H > S+ 0 0 7 -4,-0.4 4,-2.1 -722,-0.3 -2,-0.2 0.929 116.3 48.6 -53.6 -51.6 27.7 45.0 11.8 759 493 B R H X S+ 0 0 104 -4,-2.9 4,-2.5 -723,-0.2 5,-0.2 0.928 109.1 53.1 -54.6 -53.0 28.5 43.7 8.3 760 494 B K H X S+ 0 0 62 -4,-3.9 4,-2.2 -5,-0.3 5,-0.2 0.945 108.5 50.2 -48.4 -56.3 28.7 40.1 9.5 761 495 B E H X S+ 0 0 31 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.875 112.0 48.4 -51.9 -43.1 25.3 40.4 11.1 762 496 B Q H X S+ 0 0 17 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.888 105.5 53.9 -69.4 -41.0 23.8 41.8 8.0 763 497 B R H X S+ 0 0 157 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.970 113.8 46.5 -56.0 -49.5 25.2 39.2 5.5 764 498 B L H X S+ 0 0 6 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.941 108.8 52.9 -54.8 -53.1 23.6 36.7 7.8 765 499 B R H X S+ 0 0 16 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.922 113.7 45.7 -47.5 -48.1 20.3 38.6 8.0 766 500 B E H X S+ 0 0 39 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.894 106.4 55.6 -65.1 -47.2 20.3 38.6 4.2 767 501 B V H X S+ 0 0 30 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.938 106.2 54.0 -52.7 -49.2 21.2 34.9 3.7 768 502 B L H >X>S+ 0 0 2 -4,-2.3 4,-1.8 1,-0.3 5,-1.6 0.956 107.0 48.3 -50.1 -61.2 18.2 33.9 5.8 769 503 B S H 3<5S+ 0 0 20 -4,-1.6 -756,-0.7 1,-0.3 -1,-0.3 0.831 113.8 49.6 -49.9 -35.3 15.7 35.9 3.8 770 504 B G H 3<5S+ 0 0 71 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.733 107.0 54.7 -77.5 -22.2 17.2 34.3 0.7 771 505 B L H <<5S- 0 0 51 -4,-1.7 -2,-0.2 -3,-1.5 -1,-0.2 0.773 132.0 -86.8 -80.1 -27.1 16.9 30.9 2.2 772 506 B G T <5S+ 0 0 2 -4,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.527 80.8 132.3 132.4 14.8 13.2 31.4 2.9 773 507 B F < - 0 0 4 -5,-1.6 -759,-1.8 -762,-0.1 2,-0.4 -0.796 47.3-138.5-101.1 137.1 12.7 33.1 6.2 774 508 B Q E -ab 14 836A 7 61,-1.8 63,-2.6 -2,-0.4 2,-0.2 -0.743 25.3-131.0 -88.6 133.9 10.5 36.0 6.8 775 509 B E E - b 0 837A 0 -761,-0.8 2,-0.3 -2,-0.4 63,-0.2 -0.547 25.4-166.7 -83.1 151.6 12.1 38.5 9.1 776 510 B V - 0 0 1 61,-1.1 2,-0.5 -2,-0.2 63,-0.4 -0.992 16.2-143.9-141.8 150.1 10.2 39.9 12.1 777 511 B Y - 0 0 12 -2,-0.3 2,-0.3 -527,-0.3 -524,-0.2 -0.969 22.3-178.4-118.8 121.0 10.5 42.7 14.6 778 512 B T - 0 0 19 -2,-0.5 -526,-0.1 -526,-0.1 40,-0.1 -0.886 33.2 -99.1-118.7 145.1 9.4 42.2 18.2 779 513 B Y - 0 0 49 -2,-0.3 38,-0.1 -528,-0.3 32,-0.1 -0.289 23.9-133.5 -61.6 144.9 9.3 44.5 21.3 780 514 B S S S+ 0 0 4 30,-0.1 31,-2.1 2,-0.0 -1,-0.1 0.457 78.6 102.0 -78.8 -0.8 12.2 44.1 23.7 781 515 B F E -R 810 0D 18 29,-0.2 2,-0.3 27,-0.0 29,-0.2 -0.312 55.8-161.0 -79.9 168.0 9.7 44.1 26.5 782 516 B M E -R 809 0D 17 27,-1.4 27,-2.0 29,-0.1 26,-0.8 -0.993 22.4-122.9-152.1 142.5 8.5 41.0 28.3 783 517 B D > - 0 0 28 -2,-0.3 3,-1.9 24,-0.2 4,-0.5 -0.804 21.1-144.0 -88.0 116.2 5.5 40.1 30.5 784 518 B P T > S+ 0 0 53 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.816 98.8 66.2 -47.6 -31.9 6.9 38.8 33.8 785 519 B E T >> S+ 0 0 82 1,-0.3 3,-2.3 2,-0.2 4,-1.5 0.867 88.7 62.9 -59.6 -39.5 4.1 36.4 33.8 786 520 B D H <> S+ 0 0 10 -3,-1.9 4,-2.9 1,-0.3 -1,-0.3 0.661 81.1 79.6 -63.9 -14.7 5.4 34.5 30.7 787 521 B A H <4>S+ 0 0 17 -3,-1.4 5,-1.8 -4,-0.5 -1,-0.3 0.777 108.4 32.6 -61.6 -21.9 8.5 33.6 32.7 788 522 B R H <45S+ 0 0 184 -3,-2.3 -2,-0.2 -4,-0.3 -1,-0.1 0.889 113.0 56.7 -93.1 -66.7 6.0 31.0 34.0 789 523 B R H <5S+ 0 0 54 -4,-1.5 2,-0.6 2,-0.1 -2,-0.2 0.793 116.6 41.9 -34.6 -43.8 3.8 30.4 30.9 790 524 B F T <5S- 0 0 4 -4,-2.9 2,-1.9 -5,-0.1 109,-0.1 -0.945 106.5-113.8-108.6 124.6 7.0 29.5 29.2 791 525 B R T 5S+ 0 0 79 -2,-0.6 2,-0.3 107,-0.2 -3,-0.2 -0.368 71.3 120.2 -62.8 84.9 9.2 27.4 31.4 792 526 B L < - 0 0 22 -2,-1.9 -2,-0.1 -5,-1.8 21,-0.0 -0.977 65.9 -90.1-146.6 159.1 12.1 29.8 31.9 793 527 B D - 0 0 137 -2,-0.3 19,-0.1 1,-0.1 3,-0.1 -0.065 56.9 -87.8 -59.3 166.7 14.0 31.7 34.6 794 528 B P - 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