==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-MAY-12 4F45 . COMPND 2 MOLECULE: ADP-RIBOSYL CYCLASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.ZHANG,H.C.LEE,Q.HAO . 496 4 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25752.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 331 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 32 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 0 4 0 0 2 2 1 3 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 0 0 2 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 44 A E > 0 0 176 0, 0.0 3,-1.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-113.1 -398.4 -923.9 35.0 2 45 A F T 3 + 0 0 159 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.568 360.0 52.7 -77.5 -13.6 -394.9 -923.9 33.4 3 46 A W T 3 S+ 0 0 176 2,-0.0 -1,-0.3 0, 0.0 2,-0.3 0.566 98.5 79.8 -89.5 -12.1 -394.2 -927.7 33.3 4 47 A R < - 0 0 128 -3,-1.9 2,-0.4 2,-0.0 3,-0.1 -0.679 67.7-147.8 -98.9 149.2 -397.5 -928.4 31.5 5 48 A Q - 0 0 113 -2,-0.3 -2,-0.0 1,-0.1 -3,-0.0 -0.928 13.1-137.8-114.5 142.7 -398.1 -928.0 27.8 6 49 A T S S+ 0 0 75 -2,-0.4 2,-0.3 123,-0.1 -1,-0.1 0.895 82.3 29.3 -63.2 -41.2 -401.6 -927.1 26.5 7 50 A W - 0 0 40 2,-0.2 4,-0.1 124,-0.1 123,-0.0 -0.777 65.7-131.2-126.9 164.0 -401.5 -929.6 23.6 8 51 A S S S+ 0 0 74 -2,-0.3 3,-0.1 124,-0.1 -1,-0.1 0.557 82.3 76.5 -86.4 -12.6 -400.1 -932.9 22.5 9 52 A G E S-A 130 0A 7 121,-1.4 121,-1.2 1,-0.2 -2,-0.2 -0.516 94.0 -77.9-100.7 167.0 -398.8 -931.8 19.0 10 53 A P E -A 129 0A 98 0, 0.0 119,-0.3 0, 0.0 120,-0.2 -0.263 52.1-120.2 -54.4 150.5 -395.7 -929.8 17.9 11 54 A G - 0 0 13 117,-0.7 116,-0.2 116,-0.3 119,-0.2 -0.078 49.8 -52.7 -80.1-172.2 -396.0 -926.0 18.4 12 55 A T - 0 0 7 114,-2.5 104,-0.2 117,-0.2 -1,-0.2 -0.391 68.4 -99.6 -64.6 134.3 -395.8 -923.3 15.8 13 56 A T > - 0 0 47 102,-2.2 3,-1.4 1,-0.1 -1,-0.1 -0.292 48.5 -97.2 -51.5 132.9 -392.7 -923.6 13.6 14 57 A K T 3 S+ 0 0 170 1,-0.3 -1,-0.1 2,-0.1 5,-0.1 -0.289 108.9 11.7 -57.7 141.0 -390.1 -921.1 14.8 15 58 A R T 3> S+ 0 0 140 -3,-0.1 4,-2.4 3,-0.1 -1,-0.3 0.810 81.7 156.8 59.6 31.3 -390.1 -917.9 12.8 16 59 A F H <> + 0 0 0 -3,-1.4 4,-2.6 1,-0.2 5,-0.2 0.907 68.3 48.7 -53.6 -47.4 -393.4 -918.9 11.2 17 60 A P H > S+ 0 0 28 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.941 114.0 44.5 -61.7 -49.5 -394.4 -915.3 10.3 18 61 A E H > S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.849 114.7 51.5 -57.9 -39.1 -391.1 -914.4 8.7 19 62 A T H X S+ 0 0 36 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.925 108.6 48.3 -69.5 -44.8 -391.1 -917.8 6.9 20 63 A V H X S+ 0 0 1 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.929 114.8 46.8 -61.2 -44.0 -394.6 -917.4 5.4 21 64 A L H X S+ 0 0 55 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.922 113.1 47.5 -65.0 -45.6 -393.8 -913.9 4.2 22 65 A A H X S+ 0 0 60 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.896 111.9 51.5 -67.1 -36.7 -390.4 -914.9 2.8 23 66 A R H X S+ 0 0 61 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.874 109.1 50.7 -64.0 -36.5 -392.1 -917.9 1.1 24 67 A a H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.962 111.3 47.3 -65.0 -52.3 -394.7 -915.6 -0.4 25 68 A V H X S+ 0 0 74 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.919 114.9 46.9 -52.4 -48.5 -392.1 -913.2 -1.8 26 69 A K H X S+ 0 0 116 -4,-2.4 4,-2.6 2,-0.2 3,-0.5 0.923 110.7 51.3 -64.6 -43.8 -390.1 -916.1 -3.3 27 70 A Y H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.948 109.5 49.5 -57.0 -49.1 -393.2 -917.8 -4.8 28 71 A T H < S+ 0 0 17 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.676 110.8 52.4 -70.6 -17.4 -394.2 -914.6 -6.6 29 72 A E H < S+ 0 0 147 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.925 114.5 39.8 -72.5 -53.8 -390.6 -914.3 -7.8 30 73 A I H < S+ 0 0 93 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.813 123.4 43.2 -64.8 -32.0 -390.6 -917.8 -9.3 31 74 A H >< - 0 0 40 -4,-2.8 3,-2.0 -5,-0.2 -1,-0.3 -0.787 67.3-175.3-122.8 84.1 -394.2 -917.5 -10.6 32 75 A P G > S+ 0 0 92 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.770 77.3 71.5 -47.0 -38.1 -394.7 -914.0 -12.2 33 76 A E G 3 S+ 0 0 108 1,-0.3 3,-0.3 2,-0.1 -5,-0.1 0.702 98.9 49.9 -56.9 -21.1 -398.5 -914.6 -12.8 34 77 A M G X S+ 0 0 5 -3,-2.0 3,-1.2 -7,-0.2 -1,-0.3 0.156 76.2 104.9-102.7 17.1 -399.0 -914.3 -9.0 35 78 A R T < + 0 0 192 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.622 64.8 73.5 -77.5 -14.7 -397.1 -911.0 -8.5 36 79 A H T 3 S+ 0 0 142 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.793 77.5 104.5 -62.3 -27.4 -400.3 -909.1 -8.1 37 80 A V S < S- 0 0 16 -3,-1.2 2,-0.7 1,-0.1 3,-0.1 -0.311 71.8-139.3 -62.0 131.7 -400.5 -910.7 -4.7 38 81 A D > - 0 0 94 1,-0.2 4,-2.1 31,-0.1 5,-0.1 -0.883 10.4-158.1 -93.5 112.4 -399.6 -908.5 -1.8 39 82 A a H > S+ 0 0 16 -2,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.861 91.0 53.1 -65.5 -36.7 -397.6 -910.7 0.5 40 83 A Q H > S+ 0 0 91 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.903 110.1 48.2 -60.3 -44.8 -398.3 -908.6 3.6 41 84 A S H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.862 109.4 53.3 -65.7 -36.8 -402.1 -908.8 2.9 42 85 A V H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.946 110.8 46.4 -61.5 -45.4 -401.7 -912.6 2.4 43 86 A W H X S+ 0 0 21 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.922 111.1 51.8 -65.3 -44.3 -400.0 -912.9 5.8 44 87 A D H X S+ 0 0 75 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.927 112.5 45.7 -56.5 -45.6 -402.6 -910.7 7.5 45 88 A A H X S+ 0 0 16 -4,-2.4 4,-0.6 2,-0.2 21,-0.4 0.834 114.1 49.2 -67.8 -31.1 -405.4 -912.9 6.1 46 89 A F H >X S+ 0 0 0 -4,-2.1 3,-1.3 2,-0.2 4,-0.5 0.974 114.1 44.6 -69.4 -54.6 -403.5 -916.0 7.1 47 90 A K H >X S+ 0 0 82 -4,-3.2 4,-2.4 1,-0.3 3,-1.0 0.838 108.2 59.8 -52.6 -41.3 -402.9 -914.7 10.7 48 91 A G H 3< S+ 0 0 46 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.696 94.5 64.9 -66.0 -21.8 -406.5 -913.5 10.8 49 92 A A H << S+ 0 0 0 -3,-1.3 10,-0.3 -4,-0.6 -1,-0.2 0.770 122.1 9.6 -72.1 -27.0 -407.8 -917.1 10.3 50 93 A F H X< S+ 0 0 0 -3,-1.0 3,-1.3 -4,-0.5 68,-0.4 0.604 91.6 111.1-132.1 -19.7 -406.4 -918.5 13.6 51 94 A I T 3< S+ 0 0 26 -4,-2.4 72,-0.1 1,-0.3 3,-0.1 -0.398 93.0 7.7 -71.6 138.7 -405.0 -915.8 16.0 52 95 A S T 3 S+ 0 0 38 70,-0.5 69,-2.1 72,-0.3 2,-0.3 0.365 106.6 118.7 70.4 -2.5 -407.1 -915.2 19.2 53 96 A K S < S- 0 0 53 -3,-1.3 -1,-0.3 67,-0.2 65,-0.3 -0.688 77.6-106.8 -95.7 144.4 -409.2 -918.2 18.2 54 97 A H > - 0 0 25 -2,-0.3 3,-2.2 1,-0.1 65,-0.1 -0.556 32.2-131.3 -64.4 127.8 -409.5 -921.4 20.3 55 98 A P T 3 S+ 0 0 3 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.430 104.1 54.3 -71.3 2.9 -407.4 -923.9 18.3 56 99 A b T 3 S+ 0 0 4 84,-0.1 83,-0.3 1,-0.1 84,-0.1 0.365 102.6 60.3-105.0 2.3 -410.2 -926.5 18.5 57 100 A D < + 0 0 20 -3,-2.2 83,-0.2 80,-0.1 2,-0.1 0.097 68.3 135.6-118.7 23.3 -412.8 -924.1 17.0 58 101 A I - 0 0 4 81,-2.0 2,-0.3 -3,-0.1 -8,-0.1 -0.445 34.2-162.0 -76.6 142.5 -411.4 -923.2 13.6 59 102 A T >> - 0 0 63 -10,-0.3 4,-0.6 -2,-0.1 3,-0.6 -0.842 32.5-116.8-120.5 157.5 -413.8 -923.2 10.6 60 103 A E G >4 S+ 0 0 57 -2,-0.3 3,-1.5 1,-0.2 4,-0.3 0.914 116.7 61.2 -56.6 -39.4 -413.3 -923.3 6.9 61 104 A E G >4 S+ 0 0 132 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.816 91.6 66.3 -59.3 -30.1 -414.9 -919.8 6.7 62 105 A D G <4 S+ 0 0 34 -3,-0.6 -1,-0.3 1,-0.2 4,-0.3 0.827 104.8 45.3 -57.2 -33.0 -412.1 -918.5 8.9 63 106 A Y G S+ 0 0 32 -3,-1.4 4,-2.4 -4,-0.3 5,-0.2 0.903 80.3 52.6 -61.8 -42.1 -412.0 -917.7 3.3 65 108 A P H > S+ 0 0 72 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.920 112.5 45.4 -62.9 -40.0 -410.2 -914.3 3.2 66 109 A L H > S+ 0 0 0 -21,-0.4 4,-2.3 -4,-0.3 -2,-0.2 0.888 109.4 55.7 -63.3 -42.4 -406.9 -916.1 2.7 67 110 A M H < S+ 0 0 1 -4,-2.6 -1,-0.2 2,-0.2 -3,-0.2 0.903 108.4 49.5 -57.1 -42.1 -408.5 -918.4 0.0 68 111 A K H >< S+ 0 0 116 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.954 111.4 46.5 -63.9 -50.1 -409.6 -915.3 -1.9 69 112 A L H 3< S+ 0 0 75 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.825 115.2 48.5 -62.5 -32.9 -406.2 -913.6 -1.8 70 113 A G T 3< S+ 0 0 6 -4,-2.3 37,-0.3 -5,-0.1 -1,-0.3 0.148 77.6 146.0 -93.4 17.9 -404.5 -916.9 -2.8 71 114 A T < + 0 0 80 -3,-1.6 2,-0.3 -5,-0.1 -3,-0.1 -0.364 22.4 169.6 -54.9 133.0 -406.9 -917.5 -5.7 72 115 A Q - 0 0 42 -2,-0.0 2,-0.8 2,-0.0 -2,-0.0 -0.966 32.9-138.5-156.9 129.9 -405.0 -919.2 -8.5 73 116 A T - 0 0 142 -2,-0.3 -2,-0.0 2,-0.0 0, 0.0 -0.811 24.7-178.9 -95.1 109.5 -405.8 -920.9 -11.8 74 117 A V - 0 0 18 -2,-0.8 2,-0.4 26,-0.0 5,-0.1 -0.809 45.4 -91.4 -98.8 149.5 -403.7 -924.1 -12.4 75 118 A P > - 0 0 60 0, 0.0 3,-2.0 0, 0.0 25,-0.2 -0.482 37.4-146.4 -61.0 119.5 -404.2 -926.1 -15.5 76 119 A c G > S+ 0 0 43 -2,-0.4 82,-2.3 1,-0.3 3,-0.6 0.740 94.6 54.8 -65.7 -24.7 -406.9 -928.6 -14.4 77 120 A N G 3 S+ 0 0 66 1,-0.2 -1,-0.3 80,-0.2 83,-0.2 0.390 100.0 63.0 -87.4 4.0 -405.5 -931.4 -16.5 78 121 A K G < S+ 0 0 65 -3,-2.0 22,-2.6 81,-0.1 2,-0.4 -0.102 73.3 129.6-119.2 31.9 -402.0 -931.1 -15.0 79 122 A I B < -b 100 0B 0 -3,-0.6 83,-1.8 79,-0.3 2,-0.6 -0.786 36.3-167.3 -98.0 130.2 -402.8 -932.0 -11.3 80 123 A L E -c 162 0C 1 20,-3.0 22,-0.3 -2,-0.4 83,-0.2 -0.962 7.4-172.2-114.4 112.8 -400.9 -934.6 -9.3 81 124 A L E -c 163 0C 3 81,-3.1 83,-2.7 -2,-0.6 2,-0.3 -0.532 9.5-178.9 -90.3 166.9 -402.5 -935.6 -6.0 82 125 A W E -c 164 0C 59 81,-0.3 2,-0.3 -2,-0.2 83,-0.2 -0.989 20.9-154.3-161.1 163.1 -400.6 -937.9 -3.5 83 126 A S E S-c 165 0C 10 81,-2.0 83,-0.7 -2,-0.3 -2,-0.0 -0.966 78.4 -14.0-144.3 123.5 -400.9 -939.6 -0.2 84 127 A R S S+ 0 0 85 -2,-0.3 81,-0.1 81,-0.1 3,-0.1 0.634 115.6 82.8 66.4 17.1 -398.0 -940.6 2.1 85 128 A I > + 0 0 20 79,-0.2 4,-1.7 1,-0.1 5,-0.2 -0.295 44.4 146.9-147.3 51.7 -395.4 -940.0 -0.6 86 129 A K H > + 0 0 53 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.817 66.8 56.9 -57.5 -40.5 -394.8 -936.3 -0.4 87 130 A D H > S+ 0 0 105 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.922 110.8 38.3 -67.1 -49.5 -391.1 -936.4 -1.3 88 131 A L H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.849 113.9 56.8 -73.4 -35.0 -391.2 -938.2 -4.6 89 132 A A H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.910 112.2 42.9 -58.0 -43.0 -394.4 -936.3 -5.6 90 133 A H H X S+ 0 0 29 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.866 112.7 50.5 -75.8 -36.1 -392.6 -933.0 -5.1 91 134 A Q H X S+ 0 0 98 -4,-2.2 4,-1.3 2,-0.2 3,-0.3 0.886 106.8 57.9 -67.5 -38.7 -389.4 -934.1 -6.8 92 135 A F H >X S+ 0 0 6 -4,-2.5 4,-3.3 1,-0.2 3,-1.2 0.971 109.6 41.8 -51.8 -58.1 -391.5 -935.3 -9.7 93 136 A T H 3< S+ 0 0 3 -4,-1.8 -1,-0.2 1,-0.3 6,-0.2 0.617 104.4 66.4 -74.0 -10.2 -393.0 -931.8 -10.3 94 137 A Q H 3< S+ 0 0 98 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.810 117.5 27.5 -70.2 -32.2 -389.6 -930.2 -9.7 95 138 A V H << S+ 0 0 46 -4,-1.3 2,-1.9 -3,-1.2 -2,-0.2 0.887 119.9 53.9 -90.9 -56.4 -388.5 -931.9 -12.9 96 139 A Q S >< S+ 0 0 70 -4,-3.3 3,-1.7 -5,-0.2 -1,-0.2 -0.578 74.8 179.9 -78.8 80.3 -391.9 -932.2 -14.7 97 140 A R T 3 + 0 0 155 -2,-1.9 -1,-0.2 1,-0.3 -4,-0.1 0.537 67.6 65.5 -71.5 -7.7 -392.5 -928.5 -14.4 98 141 A D T 3 S+ 0 0 73 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.352 92.3 78.5 -91.8 8.4 -395.9 -928.3 -16.2 99 142 A M < - 0 0 17 -3,-1.7 2,-0.4 -6,-0.2 -20,-0.2 -0.884 66.2-154.1-120.5 150.3 -397.5 -930.5 -13.4 100 143 A F B -b 79 0B 29 -22,-2.6 -20,-3.0 -2,-0.3 2,-0.3 -0.970 15.7-168.9-132.1 131.7 -398.6 -929.3 -10.0 101 144 A T > - 0 0 0 -2,-0.4 3,-1.5 -22,-0.2 4,-0.2 -0.656 51.3 -98.2 -94.7 172.1 -399.2 -930.8 -6.6 102 145 A L G > S+ 0 0 10 -22,-0.3 3,-1.7 1,-0.3 6,-0.8 0.817 125.0 60.7 -57.1 -34.4 -401.0 -928.5 -4.1 103 146 A E G 3 S+ 0 0 14 5,-0.3 -1,-0.3 1,-0.3 9,-0.1 0.608 93.5 64.2 -75.0 -13.1 -397.7 -927.5 -2.6 104 147 A D G < S+ 0 0 24 -3,-1.5 -1,-0.3 4,-0.1 -2,-0.2 0.497 90.3 84.9 -82.9 -6.5 -396.7 -926.1 -6.0 105 148 A T S <> S- 0 0 13 -3,-1.7 4,-2.7 -4,-0.2 5,-0.2 -0.532 97.0-107.9 -84.1 163.2 -399.7 -923.5 -5.6 106 149 A L H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.951 117.9 45.4 -56.7 -51.4 -399.1 -920.3 -3.7 107 150 A L H > S+ 0 0 11 -37,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.883 115.4 43.7 -62.1 -47.5 -401.2 -921.5 -0.8 108 151 A G H > S+ 0 0 0 -6,-0.8 4,-1.7 1,-0.2 -5,-0.3 0.890 113.0 54.6 -64.1 -39.5 -399.7 -925.0 -0.4 109 152 A Y H < S+ 0 0 61 -4,-2.7 -2,-0.2 -7,-0.4 -1,-0.2 0.882 107.3 50.0 -60.4 -43.4 -396.2 -923.6 -0.9 110 153 A L H < S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.875 120.0 34.5 -58.6 -43.0 -396.7 -921.2 1.9 111 154 A A H >< S+ 0 0 0 -4,-1.4 3,-2.1 -5,-0.1 -2,-0.2 0.554 82.2 130.1 -95.5 -15.2 -397.9 -923.8 4.4 112 155 A D T 3< S- 0 0 29 -4,-1.7 3,-0.1 1,-0.3 -3,-0.0 -0.202 85.5 -5.4 -54.4 127.7 -395.9 -926.9 3.4 113 156 A D T 3 S+ 0 0 102 1,-0.2 2,-0.3 -100,-0.0 -1,-0.3 0.689 106.9 122.3 64.0 21.3 -394.2 -928.6 6.4 114 157 A L < - 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0 0 15 -5,-1.1 3,-0.2 -82,-0.1 -1,-0.2 -0.985 32.3-134.7-165.7 146.0 -409.2 -932.1 18.2 138 181 A S S S+ 0 0 51 -2,-0.3 2,-1.5 1,-0.2 -5,-0.1 0.749 90.8 74.4 -80.3 -23.6 -409.6 -932.2 14.5 139 182 A N + 0 0 52 -83,-0.3 -81,-2.0 4,-0.1 -1,-0.2 -0.318 69.6 136.3 -93.0 58.7 -410.7 -928.6 13.9 140 183 A N S > S- 0 0 6 -2,-1.5 4,-2.7 -3,-0.2 5,-0.3 -0.570 70.5 -99.6-105.7 161.9 -407.4 -927.1 14.4 141 184 A P H > S+ 0 0 1 0, 0.0 4,-1.3 0, 0.0 -24,-0.1 0.799 119.1 40.6 -48.7 -43.7 -405.6 -924.3 12.4 142 185 A V H > S+ 0 0 28 -26,-0.3 4,-2.3 2,-0.2 5,-0.2 0.919 117.4 43.9 -71.4 -54.9 -403.4 -926.8 10.4 143 186 A S H > S+ 0 0 33 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.861 115.1 49.9 -62.1 -35.9 -405.9 -929.6 9.7 144 187 A V H X S+ 0 0 5 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.899 110.1 51.9 -74.2 -36.4 -408.7 -927.1 8.8 145 188 A F H X S+ 0 0 0 -4,-1.3 4,-2.6 -5,-0.3 5,-0.3 0.954 112.4 44.2 -59.0 -51.5 -406.3 -925.2 6.4 146 189 A W H X S+ 0 0 45 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.865 111.7 52.5 -66.6 -37.8 -405.3 -928.4 4.6 147 190 A K H X S+ 0 0 95 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.907 111.8 47.3 -59.6 -43.9 -408.9 -929.7 4.3 148 191 A T H X S+ 0 0 2 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.928 117.5 39.4 -69.8 -46.0 -410.0 -926.4 2.8 149 192 A V H X S+ 0 0 6 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.878 114.3 54.4 -75.2 -33.0 -407.2 -926.2 0.2 150 193 A S H X S+ 0 0 7 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.905 109.5 48.2 -66.3 -40.7 -407.3 -929.9 -0.6 151 194 A R H X S+ 0 0 57 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.955 113.4 45.9 -58.6 -54.6 -411.0 -929.8 -1.3 152 195 A R H X S+ 0 0 93 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.896 111.9 51.8 -60.6 -42.2 -410.7 -926.7 -3.6 153 196 A F H < S+ 0 0 13 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.906 111.4 47.4 -60.3 -44.8 -407.7 -928.2 -5.4 154 197 A A H >< S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.2 34,-0.4 0.888 109.1 53.9 -62.2 -41.6 -409.6 -931.5 -6.0 155 198 A E H 3< S+ 0 0 64 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.821 105.2 55.0 -64.0 -33.5 -412.7 -929.6 -7.3 156 199 A A T 3< S+ 0 0 41 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.578 87.7 108.8 -73.4 -14.3 -410.6 -927.7 -9.8 157 200 A A < + 0 0 0 -3,-1.1 31,-0.3 -4,-0.5 2,-0.3 -0.282 42.3 173.3 -72.2 152.7 -409.2 -930.9 -11.4 158 201 A c + 0 0 13 -82,-2.3 34,-0.3 2,-0.1 -79,-0.3 -0.940 42.4 5.6-149.5 171.1 -410.2 -932.2 -14.9 159 202 A D E S+ d 0 192C 55 32,-1.8 35,-2.7 -2,-0.3 34,-1.9 -0.356 121.4 4.0 57.3-120.7 -409.3 -934.9 -17.5 160 203 A V E S- d 0 194C 53 -83,-0.2 2,-0.5 33,-0.2 -81,-0.2 -0.897 72.7-167.5-100.8 107.5 -406.8 -937.4 -16.2 161 204 A V E - d 0 195C 0 33,-2.9 35,-2.5 -2,-0.8 2,-0.3 -0.852 10.6-149.4 -94.3 130.4 -406.1 -936.7 -12.6 162 205 A H E -cd 80 196C 31 -83,-1.8 -81,-3.1 -2,-0.5 2,-0.4 -0.798 10.1-165.5-102.7 144.0 -403.0 -938.6 -11.3 163 206 A V E -cd 81 197C 0 33,-2.3 35,-3.1 -2,-0.3 2,-0.5 -0.997 10.3-148.6-128.4 129.0 -402.5 -939.7 -7.7 164 207 A M E -cd 82 198C 0 -83,-2.7 -81,-2.0 -2,-0.4 2,-0.3 -0.846 22.3-175.2 -94.8 125.7 -399.1 -940.9 -6.3 165 208 A L E -cd 83 199C 0 33,-2.1 35,-2.7 -2,-0.5 2,-0.9 -0.913 28.3-114.6-123.8 153.5 -399.5 -943.6 -3.6 166 209 A D E > - d 0 200C 18 -83,-0.7 3,-1.0 6,-0.5 35,-0.1 -0.743 25.0-177.0 -93.5 104.9 -397.0 -945.3 -1.3 167 210 A G T 3 S+ 0 0 12 33,-1.7 34,-0.2 -2,-0.9 -1,-0.2 0.634 79.2 62.9 -75.6 -15.4 -396.8 -949.0 -2.1 168 211 A S T 3 S+ 0 0 78 32,-0.1 -1,-0.2 4,-0.1 2,-0.1 0.446 91.8 92.8 -85.6 1.0 -394.3 -949.7 0.7 169 212 A R S < S- 0 0 131 -3,-1.0 3,-0.2 1,-0.1 33,-0.0 -0.380 88.1-105.2-101.8 171.0 -396.8 -948.7 3.4 170 213 A S S S+ 0 0 113 1,-0.3 2,-0.5 -2,-0.1 3,-0.1 0.895 111.5 20.4 -62.1 -50.7 -399.4 -950.4 5.5 171 214 A K - 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0 0 78 -2,-0.3 3,-3.0 1,-0.2 65,-0.1 -0.528 31.8-138.1 -65.4 119.4 -402.8 -953.7 22.7 305 98 B P T 3 S+ 0 0 4 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.481 102.2 50.8 -68.0 2.4 -404.7 -951.8 25.4 306 99 B h T 3 S+ 0 0 32 84,-0.1 83,-0.3 1,-0.1 84,-0.1 0.224 104.7 60.1-112.3 14.0 -402.7 -948.6 24.7 307 100 B D < + 0 0 110 -3,-3.0 2,-0.2 80,-0.1 83,-0.2 -0.015 69.0 135.7-128.9 31.6 -403.3 -948.8 21.0 308 101 B I - 0 0 3 81,-2.1 2,-0.3 -3,-0.1 -8,-0.1 -0.557 32.6-166.4 -82.6 144.8 -407.1 -948.5 20.7 309 102 B T >> - 0 0 48 -10,-0.2 3,-0.8 -2,-0.2 4,-0.6 -0.867 36.3-109.6-128.9 158.8 -408.6 -946.2 18.1 310 103 B E G >4 S+ 0 0 61 -2,-0.3 3,-1.6 1,-0.2 4,-0.2 0.908 118.0 61.2 -52.0 -42.0 -412.0 -944.7 17.4 311 104 B E G >4 S+ 0 0 81 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.825 91.2 65.9 -58.9 -34.8 -412.2 -947.0 14.3 312 105 B D G <4 S+ 0 0 33 -3,-0.8 4,-0.3 1,-0.3 -1,-0.3 0.826 104.8 46.0 -52.9 -33.0 -412.0 -950.1 16.6 313 106 B Y G S+ 0 0 64 -3,-1.8 4,-2.5 -4,-0.2 5,-0.2 0.882 79.9 50.8 -63.9 -44.6 -417.0 -948.4 14.6 315 108 B P H > S+ 0 0 74 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.949 113.2 47.5 -56.7 -43.7 -418.9 -951.7 14.3 316 109 B L H > S+ 0 0 0 -21,-0.5 4,-1.8 -4,-0.3 -2,-0.2 0.914 111.3 50.4 -61.0 -44.9 -420.3 -951.1 17.8 317 110 B M H < S+ 0 0 1 -4,-2.6 4,-0.4 2,-0.2 -1,-0.2 0.901 110.9 49.7 -59.9 -41.0 -421.2 -947.5 17.0 318 111 B K H >< S+ 0 0 164 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.972 113.4 44.0 -65.3 -51.9 -423.0 -948.7 13.8 319 112 B L H 3< S+ 0 0 75 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.753 115.5 50.8 -60.7 -26.9 -425.0 -951.4 15.6 320 113 B G T 3< S+ 0 0 4 -4,-1.8 37,-0.3 -5,-0.2 -1,-0.3 0.384 77.2 143.4 -94.7 4.0 -425.7 -948.9 18.4 321 114 B T < + 0 0 91 -3,-1.5 2,-0.3 -4,-0.4 -3,-0.1 -0.127 22.7 167.9 -46.9 139.1 -427.0 -946.1 16.2 322 115 B Q - 0 0 47 2,-0.0 2,-0.7 33,-0.0 -2,-0.0 -0.946 35.0-131.4-162.0 128.4 -429.9 -944.3 17.9 323 116 B T - 0 0 136 -2,-0.3 -40,-0.0 -40,-0.0 -2,-0.0 -0.784 24.9-170.2 -89.9 115.2 -431.8 -941.1 17.3 324 117 B V - 0 0 19 -2,-0.7 2,-0.2 79,-0.0 5,-0.1 -0.838 41.9 -95.6 -97.7 138.5 -432.1 -939.1 20.4 325 118 B P > - 0 0 59 0, 0.0 3,-1.8 0, 0.0 25,-0.2 -0.411 40.8-145.4 -53.9 115.2 -434.4 -936.1 20.4 326 119 B i G > S+ 0 0 48 1,-0.3 82,-2.4 -2,-0.2 3,-0.5 0.735 91.5 52.2 -67.5 -26.0 -431.7 -933.5 19.6 327 120 B N G 3 S+ 0 0 69 1,-0.2 -1,-0.3 80,-0.2 83,-0.2 0.326 101.2 63.6 -86.5 4.2 -433.2 -930.6 21.6 328 121 B K G < S+ 0 0 71 -3,-1.8 22,-2.4 81,-0.1 2,-0.4 -0.012 71.2 132.9-119.5 28.5 -433.5 -932.7 24.8 329 122 B I B < -h 350 0F 0 -3,-0.5 83,-1.7 81,-0.3 2,-0.5 -0.656 36.5-163.7 -92.0 132.2 -429.9 -933.5 25.5 330 123 B L E -i 412 0G 1 20,-3.1 22,-0.4 -2,-0.4 83,-0.2 -0.963 6.6-172.8-113.6 114.1 -428.3 -933.1 29.0 331 124 B L E -i 413 0G 3 81,-3.4 83,-2.1 -2,-0.5 2,-0.3 -0.575 10.2-177.3 -90.0 166.3 -424.5 -933.0 29.2 332 125 B W E -i 414 0G 58 81,-0.3 2,-0.3 -2,-0.2 83,-0.2 -0.989 19.6-156.4-160.0 158.9 -422.7 -933.0 32.6 333 126 B S E S-i 415 0G 7 81,-2.1 83,-0.7 -2,-0.3 -2,-0.0 -0.964 77.0 -15.8-142.9 124.3 -419.3 -932.8 34.2 334 127 B R S S+ 0 0 85 -2,-0.3 81,-0.1 81,-0.1 3,-0.1 0.684 114.7 84.7 61.9 25.4 -418.4 -934.1 37.7 335 128 B I > + 0 0 18 79,-0.2 4,-2.0 1,-0.0 5,-0.2 -0.285 45.8 148.1-149.5 49.7 -422.0 -934.4 38.9 336 129 B K H > + 0 0 51 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.852 65.9 53.0 -62.2 -44.0 -423.0 -937.8 37.5 337 130 B D H > S+ 0 0 117 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.933 111.8 42.6 -63.3 -49.3 -425.5 -938.9 40.2 338 131 B L H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.917 111.5 55.2 -68.2 -42.2 -427.8 -935.8 40.1 339 132 B A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.922 113.4 42.9 -51.9 -46.0 -427.7 -935.6 36.3 340 133 B H H X S+ 0 0 28 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.897 112.3 51.0 -72.6 -39.8 -429.0 -939.3 36.2 341 134 B Q H X S+ 0 0 96 -4,-2.5 4,-1.0 2,-0.2 5,-0.2 0.851 108.5 55.6 -62.8 -35.8 -431.5 -938.8 38.9 342 135 B F H >X S+ 0 0 8 -4,-2.7 4,-3.4 -5,-0.2 3,-0.8 0.968 111.7 40.4 -59.6 -51.6 -432.8 -935.8 37.0 343 136 B T H 3< S+ 0 0 4 -4,-2.0 6,-0.2 1,-0.3 -2,-0.2 0.840 106.5 64.7 -74.3 -26.5 -433.4 -937.8 33.8 344 137 B Q H 3< S+ 0 0 96 -4,-2.5 -1,-0.3 -5,-0.2 3,-0.2 0.816 118.7 26.6 -56.0 -32.4 -434.8 -940.8 35.7 345 138 B V H << S+ 0 0 53 -4,-1.0 2,-1.5 -3,-0.8 -2,-0.2 0.869 122.6 50.7 -95.6 -50.8 -437.6 -938.5 36.7 346 139 B Q S >< S+ 0 0 62 -4,-3.4 3,-1.7 -5,-0.2 -1,-0.2 -0.638 73.5 177.7 -88.4 80.4 -437.7 -936.0 33.8 347 140 B R T 3 + 0 0 153 -2,-1.5 -1,-0.2 1,-0.3 -4,-0.1 0.409 66.0 70.9 -81.0 1.3 -437.8 -938.7 31.2 348 141 B D T 3 S+ 0 0 72 -3,-0.0 2,-0.3 2,-0.0 -1,-0.3 0.332 91.0 73.7 -91.7 3.4 -438.0 -936.4 28.1 349 142 B M S < S- 0 0 24 -3,-1.7 2,-0.4 -6,-0.2 -20,-0.2 -0.904 70.4-156.2-114.6 151.4 -434.3 -935.4 28.7 350 143 B F B -h 329 0F 45 -22,-2.4 -20,-3.1 -2,-0.3 2,-0.3 -0.990 13.0-166.0-136.4 125.0 -431.4 -937.7 28.0 351 144 B T > - 0 0 0 -2,-0.4 3,-2.0 -22,-0.2 4,-0.3 -0.634 47.5-100.2 -91.4 168.7 -427.8 -938.0 29.2 352 145 B L G > S+ 0 0 11 -22,-0.4 3,-2.0 1,-0.3 6,-0.6 0.872 123.5 62.8 -58.4 -33.5 -425.4 -940.1 27.2 353 146 B E G 3 S+ 0 0 16 1,-0.3 -1,-0.3 5,-0.2 9,-0.1 0.548 93.7 62.6 -73.7 -3.3 -425.9 -942.9 29.7 354 147 B D G < S+ 0 0 27 -3,-2.0 -1,-0.3 4,-0.1 -2,-0.2 0.460 89.8 85.9 -95.8 -3.1 -429.6 -943.0 28.7 355 148 B T S <> S- 0 0 17 -3,-2.0 4,-2.3 -4,-0.3 5,-0.2 -0.517 95.9-107.2 -87.6 163.8 -428.6 -944.0 25.2 356 149 B L H > S+ 0 0 0 -36,-0.2 4,-2.1 1,-0.2 5,-0.1 0.956 118.1 44.2 -57.8 -49.6 -428.0 -947.7 24.4 357 150 B L H > S+ 0 0 15 -37,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.918 115.4 46.4 -64.9 -46.5 -424.2 -947.4 24.1 358 151 B G H > S+ 0 0 0 -6,-0.6 4,-1.8 1,-0.2 -5,-0.2 0.826 111.5 52.9 -61.8 -36.7 -423.8 -945.2 27.2 359 152 B Y H < S+ 0 0 67 -4,-2.3 -1,-0.2 -7,-0.3 -2,-0.2 0.862 106.7 52.7 -67.3 -41.2 -426.1 -947.5 29.2 360 153 B L H < S+ 0 0 0 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.919 119.7 33.0 -59.1 -42.9 -424.1 -950.6 28.3 361 154 B A H >< S+ 0 0 0 -4,-1.6 3,-2.4 -5,-0.1 -2,-0.2 0.649 81.5 128.7 -94.2 -22.6 -420.8 -949.1 29.4 362 155 B D T 3< S- 0 0 27 -4,-1.8 3,-0.1 1,-0.3 -3,-0.0 -0.088 87.7 -4.2 -45.6 124.5 -421.8 -946.8 32.4 363 156 B D T 3 S+ 0 0 113 1,-0.2 -1,-0.3 -100,-0.0 2,-0.3 0.575 106.9 121.7 72.8 12.3 -419.6 -947.6 35.5 364 157 B L < - 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