==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-APR-06 2CKO . COMPND 2 MOLECULE: CHOLINE KINASE ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.MALITO,A.LAVIE . 690 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33433.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 489 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.3 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 . 33 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 276 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 0 0 0 0 0 0 2 4 1 3 1 4 1 0 0 2 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 88 A R > 0 0 103 0, 0.0 4,-1.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -29.0 -16.2 16.9 -2.4 2 89 A R H > + 0 0 138 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.736 360.0 65.1 -78.7 -26.1 -15.1 14.5 0.3 3 90 A R H > S+ 0 0 146 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.932 102.7 47.5 -51.5 -50.7 -13.1 12.7 -2.5 4 91 A A H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.885 109.8 51.6 -63.3 -42.7 -11.0 15.8 -2.8 5 92 A Y H X S+ 0 0 12 -4,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.893 111.4 49.5 -58.1 -40.4 -10.5 16.0 1.0 6 93 A L H X S+ 0 0 51 -4,-2.1 4,-3.9 2,-0.2 5,-0.3 0.955 109.4 48.4 -69.9 -50.8 -9.4 12.3 0.9 7 94 A W H X S+ 0 0 32 -4,-2.6 4,-3.2 1,-0.2 5,-0.4 0.915 115.6 45.6 -51.9 -48.0 -6.8 12.6 -1.9 8 95 A C H X S+ 0 0 1 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.913 116.0 45.8 -65.6 -42.6 -5.3 15.7 -0.3 9 96 A K H < S+ 0 0 52 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.950 121.8 37.6 -60.7 -50.3 -5.3 14.0 3.2 10 97 A E H < S+ 0 0 55 -4,-3.9 471,-1.8 1,-0.2 -2,-0.2 0.906 124.4 35.0 -73.8 -43.1 -3.9 10.7 1.8 11 98 A F H < S+ 0 0 13 -4,-3.2 -3,-0.2 -5,-0.3 -1,-0.2 0.698 103.2 78.4 -87.2 -22.5 -1.3 11.9 -0.9 12 99 A L S < S- 0 0 0 -4,-1.4 469,-0.0 -5,-0.4 2,-0.0 -0.728 70.9-135.1 -99.1 141.5 -0.0 15.1 0.7 13 100 A P > + 0 0 49 0, 0.0 3,-1.3 0, 0.0 36,-0.1 -0.189 56.8 7.3 -86.5 174.8 2.6 15.2 3.5 14 101 A G G >> S+ 0 0 38 1,-0.3 3,-2.1 2,-0.2 4,-0.6 -0.271 127.1 10.9 64.5-133.8 3.1 17.0 6.9 15 102 A A G 34 S+ 0 0 20 1,-0.3 -1,-0.3 2,-0.2 33,-0.0 0.509 124.7 65.0 -57.8 -6.5 0.3 19.1 8.2 16 103 A W G X4 S+ 0 0 0 -3,-1.3 3,-1.2 1,-0.1 -1,-0.3 0.764 91.0 61.9 -85.3 -29.5 -2.0 17.6 5.5 17 104 A R T <4 S+ 0 0 65 -3,-2.1 -2,-0.2 1,-0.3 -1,-0.1 0.786 107.7 41.2 -75.1 -29.0 -1.9 14.1 6.9 18 105 A G T 3< S+ 0 0 66 -4,-0.6 2,-0.3 2,-0.0 -1,-0.3 -0.001 88.3 132.9-100.3 26.2 -3.5 14.9 10.3 19 106 A L < - 0 0 4 -3,-1.2 2,-0.2 -10,-0.1 -3,-0.1 -0.628 49.3-139.8 -83.4 132.5 -6.1 17.2 8.7 20 107 A R > - 0 0 152 -2,-0.3 3,-1.6 1,-0.1 4,-0.3 -0.550 22.8-116.0 -82.7 155.2 -9.7 16.9 9.8 21 108 A E G > S+ 0 0 93 1,-0.3 3,-1.2 -2,-0.2 -1,-0.1 0.829 113.1 60.9 -59.1 -33.3 -12.5 17.3 7.1 22 109 A D G 3 S+ 0 0 131 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.408 102.3 51.3 -81.7 1.8 -13.8 20.4 8.9 23 110 A E G < S+ 0 0 32 -3,-1.6 2,-0.3 20,-0.0 -1,-0.2 0.335 88.4 107.2-111.7 5.5 -10.5 22.3 8.4 24 111 A F < - 0 0 28 -3,-1.2 2,-0.4 -4,-0.3 18,-0.1 -0.640 50.6-161.7 -90.2 137.6 -10.3 21.5 4.6 25 112 A H E +A 41 0A 83 16,-1.5 16,-2.4 -2,-0.3 2,-0.4 -0.982 10.4 176.3-125.2 129.2 -10.9 24.2 1.9 26 113 A I E -A 40 0A 62 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.988 1.8-179.9-136.6 125.1 -11.7 23.7 -1.8 27 114 A S E -A 39 0A 64 12,-2.0 12,-2.4 -2,-0.4 2,-0.1 -0.902 26.6-116.7-120.4 150.5 -12.6 26.3 -4.5 28 115 A V E +A 38 0A 97 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.416 30.1 168.0 -80.8 159.8 -13.4 26.0 -8.2 29 116 A I E S+ 0 0 79 8,-1.9 2,-0.3 -2,-0.1 9,-0.2 0.443 75.0 11.3-138.3 -36.5 -11.3 27.4 -11.0 30 117 A R E -A 37 0A 116 7,-1.4 7,-1.6 0, 0.0 5,-0.1 -0.817 68.7-164.8-152.3 111.1 -12.7 25.7 -14.2 31 118 A G 0 0 51 -2,-0.3 4,-0.3 5,-0.2 6,-0.1 0.254 360.0 360.0 -73.5-158.6 -15.9 23.7 -14.3 32 119 A G 0 0 92 2,-0.1 -1,-0.1 4,-0.1 4,-0.1 0.581 360.0 360.0 111.8 360.0 -17.2 21.3 -17.0 33 ! 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 34 121 A S 0 0 70 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 -20.0 -13.1 17.0 -18.9 35 122 A N - 0 0 54 -4,-0.3 2,-0.2 -5,-0.1 26,-0.2 -0.333 360.0-173.7-156.5 63.7 -10.3 18.7 -16.9 36 123 A M E - B 0 60A 41 24,-0.8 24,-2.0 -4,-0.1 2,-0.4 -0.447 13.2-145.3 -69.8 133.1 -12.0 20.4 -14.0 37 124 A L E +AB 30 59A 10 -7,-1.6 -8,-1.9 22,-0.2 -7,-1.4 -0.827 19.8 177.2-111.6 134.4 -9.6 22.6 -11.9 38 125 A F E -AB 28 58A 36 20,-2.1 20,-1.2 -2,-0.4 2,-0.4 -0.866 24.2-140.1-135.4 167.8 -9.7 23.1 -8.2 39 126 A Q E -AB 27 57A 39 -12,-2.4 -12,-2.0 -2,-0.3 2,-0.4 -0.916 21.3-174.3-135.5 99.8 -7.8 24.9 -5.5 40 127 A C E +AB 26 56A 0 16,-1.6 16,-2.4 -2,-0.4 2,-0.3 -0.780 11.9 173.0-100.4 141.0 -7.4 23.0 -2.2 41 128 A S E -AB 25 55A 23 -16,-2.4 -16,-1.5 -2,-0.4 14,-0.2 -0.964 30.8-110.0-148.5 161.2 -5.8 24.7 0.9 42 129 A L - 0 0 5 12,-2.0 2,-0.2 -2,-0.3 -18,-0.1 -0.426 52.0 -86.3 -79.1 160.3 -4.9 24.5 4.6 43 130 A P > - 0 0 12 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.508 37.2-122.4 -67.6 141.2 -6.6 26.6 7.3 44 131 A D T 3 S+ 0 0 157 1,-0.3 -2,-0.0 -2,-0.2 10,-0.0 0.636 113.0 54.6 -62.3 -13.7 -4.8 30.0 7.6 45 132 A T T 3 S+ 0 0 135 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.739 86.8 98.0 -87.9 -28.1 -4.2 29.2 11.3 46 133 A T < - 0 0 31 -3,-1.4 2,-0.3 1,-0.1 -4,-0.1 -0.419 66.3-141.8 -69.7 131.2 -2.5 25.8 10.6 47 134 A A - 0 0 77 -2,-0.2 2,-0.2 1,-0.0 -1,-0.1 -0.714 19.5-110.7 -93.4 144.6 1.3 25.8 10.6 48 135 A T - 0 0 65 -2,-0.3 -34,-0.1 1,-0.1 -1,-0.0 -0.535 13.1-153.6 -74.3 135.6 3.4 23.7 8.2 49 136 A L S S- 0 0 83 -2,-0.2 -1,-0.1 -36,-0.1 2,-0.1 0.720 71.2 -46.8 -78.8 -25.2 5.3 20.8 9.7 50 137 A G S S- 0 0 52 -37,-0.1 -2,-0.1 2,-0.1 0, 0.0 -0.407 107.6 -10.2-163.6-115.7 8.0 20.9 6.9 51 138 A D S S+ 0 0 135 -2,-0.1 -3,-0.1 2,-0.1 -37,-0.0 0.855 83.6 128.3 -71.7 -41.5 8.1 21.2 3.1 52 139 A E - 0 0 8 1,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.329 63.6-110.0 -34.4 141.4 4.4 20.7 2.3 53 140 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.555 12.0-146.5 -70.7 132.7 2.5 23.2 0.1 54 141 A R S S+ 0 0 95 -2,-0.3 -12,-2.0 1,-0.2 2,-0.3 0.814 88.7 24.9 -64.1 -30.1 -0.1 25.3 1.9 55 142 A K E S-B 41 0A 83 -14,-0.2 42,-0.7 42,-0.1 2,-0.3 -0.997 70.5-179.1-141.4 139.0 -2.1 25.2 -1.3 56 143 A V E -BC 40 96A 0 -16,-2.4 -16,-1.6 -2,-0.3 2,-0.5 -0.844 25.3-118.3-131.9 168.8 -2.4 22.8 -4.3 57 144 A L E -BC 39 95A 26 38,-3.0 38,-3.1 -2,-0.3 2,-0.4 -0.956 20.6-154.0-113.7 125.9 -4.2 22.4 -7.6 58 145 A L E -BC 38 94A 3 -20,-1.2 -20,-2.1 -2,-0.5 2,-0.4 -0.827 8.1-166.1 -96.7 134.8 -6.5 19.4 -8.2 59 146 A R E -BC 37 93A 28 34,-2.4 34,-1.7 -2,-0.4 2,-0.5 -0.986 5.3-156.0-123.6 125.4 -7.1 18.2 -11.8 60 147 A L E -BC 36 92A 35 -24,-2.0 -24,-0.8 -2,-0.4 32,-0.3 -0.881 10.7-150.4-103.1 122.3 -9.9 15.8 -12.7 61 148 A Y + 0 0 34 30,-1.9 31,-0.1 -2,-0.5 -1,-0.1 0.637 34.8 173.3 -63.4 -14.6 -9.5 13.8 -15.9 62 149 A G + 0 0 48 29,-0.5 2,-0.4 -26,-0.1 -1,-0.2 -0.064 54.6 10.8 43.4-131.3 -13.3 13.7 -16.3 63 150 A A 0 0 81 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.636 360.0 360.0 -78.3 126.7 -14.5 12.2 -19.6 64 151 A I 0 0 144 -2,-0.4 -1,-0.1 0, 0.0 -2,-0.1 0.105 360.0 360.0-147.5 360.0 -11.6 10.4 -21.5 65 ! 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 66 177 A M > 0 0 113 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -35.0 -2.8 8.0 -19.8 67 178 A V H > + 0 0 30 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.844 360.0 49.6 -57.1 -41.4 0.7 6.6 -19.3 68 179 A L H > S+ 0 0 65 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.928 111.7 45.2 -69.0 -48.3 2.4 9.0 -21.7 69 180 A E H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.880 115.8 48.4 -63.4 -39.2 0.9 12.3 -20.4 70 181 A S H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.885 112.0 47.5 -69.1 -42.0 1.6 11.2 -16.8 71 182 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.900 113.2 50.2 -65.2 -42.0 5.3 10.2 -17.5 72 183 A M H X S+ 0 0 10 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.949 111.6 47.1 -60.2 -49.7 5.7 13.5 -19.4 73 184 A F H X S+ 0 0 17 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.901 112.8 49.3 -62.7 -42.3 4.3 15.5 -16.6 74 185 A A H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.876 111.6 50.1 -60.0 -43.4 6.4 13.7 -14.0 75 186 A I H X S+ 0 0 4 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.941 110.8 47.5 -64.1 -47.2 9.6 14.2 -16.1 76 187 A L H <>S+ 0 0 1 -4,-2.6 5,-2.7 1,-0.2 6,-0.8 0.880 110.4 53.3 -64.2 -38.6 9.0 18.0 -16.5 77 188 A A H ><5S+ 0 0 14 -4,-2.1 3,-1.2 -5,-0.2 -1,-0.2 0.917 108.1 50.0 -55.5 -47.6 8.3 18.3 -12.8 78 189 A E H 3<5S+ 0 0 59 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.843 112.0 48.1 -63.1 -35.1 11.7 16.6 -12.0 79 190 A R T 3<5S- 0 0 82 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.398 113.2-117.5 -86.0 -0.5 13.5 18.9 -14.3 80 191 A S T < 5S+ 0 0 108 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.758 86.8 112.4 69.3 28.9 11.9 22.1 -12.9 81 192 A L S -D 92 0A 14 3,-2.4 3,-1.7 -2,-0.4 -2,-0.0 -0.926 57.0 -90.7-150.2 167.7 -4.5 8.5 -9.2 90 201 A P T 3 S+ 0 0 75 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.730 122.7 46.0 -60.7 -22.6 -7.0 7.0 -11.8 91 202 A Q T 3 S- 0 0 74 1,-0.1 -30,-1.9 -31,-0.1 -29,-0.5 0.406 126.2 -61.3 -97.5 -2.0 -9.4 10.1 -11.6 92 203 A G E < -CD 60 89A 0 -3,-1.7 -3,-2.4 -32,-0.3 2,-0.3 -0.994 53.8 -86.9 156.1-152.8 -6.7 12.9 -11.9 93 204 A R E -CD 59 88A 19 -34,-1.7 -34,-2.4 -2,-0.3 2,-0.5 -0.985 19.2-125.6-157.1 148.5 -3.6 14.3 -10.2 94 205 A L E -CD 58 87A 0 -7,-2.1 -8,-2.4 -2,-0.3 -7,-1.6 -0.926 36.8-180.0 -98.4 131.4 -2.6 16.9 -7.6 95 206 A E E -CD 57 85A 9 -38,-3.1 -38,-3.0 -2,-0.5 -10,-0.2 -0.823 34.8 -83.1-125.7 165.4 -0.1 19.5 -8.8 96 207 A Q E -C 56 0A 55 -12,-2.2 2,-0.6 -2,-0.3 -40,-0.2 -0.355 42.2-126.9 -63.1 144.2 1.7 22.5 -7.5 97 208 A F - 0 0 50 -42,-0.7 -42,-0.1 -14,-0.0 -1,-0.1 -0.885 21.4-160.9 -98.1 116.4 -0.3 25.7 -7.5 98 209 A I - 0 0 28 -2,-0.6 2,-0.3 106,-0.0 -42,-0.0 -0.867 16.4-134.8-105.0 107.6 1.5 28.6 -9.2 99 210 A P + 0 0 65 0, 0.0 106,-2.4 0, 0.0 2,-0.3 -0.438 63.9 104.7 -55.4 114.2 0.3 32.1 -8.3 100 211 A S E -E 204 0B 36 -2,-0.3 2,-0.3 104,-0.2 104,-0.2 -0.924 59.8-123.6-169.0-179.5 0.1 33.6 -11.8 101 212 A R E -E 203 0B 108 102,-1.3 102,-3.6 -2,-0.3 2,-0.1 -0.953 30.8-106.2-140.6 161.0 -2.2 34.7 -14.5 102 213 A R E -E 202 0B 102 -2,-0.3 100,-0.2 100,-0.2 97,-0.2 -0.428 40.7-102.4 -76.7 155.8 -2.4 33.7 -18.2 103 214 A L - 0 0 6 98,-1.4 2,-0.3 95,-1.4 98,-0.1 -0.486 29.2-125.7 -72.4 153.0 -1.2 36.1 -20.9 104 215 A D >> - 0 0 74 -2,-0.1 3,-1.4 1,-0.1 4,-0.5 -0.699 28.5-108.9 -91.2 153.7 -3.8 38.0 -23.0 105 216 A T G >4 S+ 0 0 14 -2,-0.3 3,-1.5 1,-0.3 4,-0.3 0.855 117.4 56.1 -49.4 -44.7 -3.5 37.7 -26.8 106 217 A E G >4 S+ 0 0 120 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.753 96.2 65.7 -64.1 -26.0 -2.2 41.3 -27.2 107 218 A E G X4 S+ 0 0 31 -3,-1.4 3,-1.2 1,-0.2 -1,-0.3 0.698 82.1 78.4 -70.7 -17.3 0.7 40.6 -24.8 108 219 A L G << S+ 0 0 0 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.781 91.7 52.1 -62.4 -25.1 2.2 38.1 -27.3 109 220 A S G < S+ 0 0 49 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.498 77.4 113.5 -93.3 -9.3 3.6 41.0 -29.4 110 221 A L S <> S- 0 0 89 -3,-1.2 4,-3.1 -4,-0.2 3,-0.4 -0.511 72.6-128.3 -63.9 127.3 5.4 42.8 -26.6 111 222 A P H > S+ 0 0 75 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.903 105.4 44.7 -48.2 -53.4 9.2 42.6 -27.3 112 223 A D H > S+ 0 0 80 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.814 116.1 47.1 -63.0 -34.7 10.2 41.3 -23.9 113 224 A I H > S+ 0 0 9 -3,-0.4 4,-2.2 2,-0.2 5,-0.2 0.958 114.1 46.5 -69.4 -52.8 7.3 38.8 -23.8 114 225 A S H X S+ 0 0 2 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.921 110.3 53.8 -54.8 -51.2 8.0 37.5 -27.3 115 226 A A H X S+ 0 0 16 -4,-3.0 4,-1.9 -5,-0.3 -1,-0.2 0.895 110.8 46.6 -48.0 -47.1 11.8 37.2 -26.6 116 227 A E H X S+ 0 0 2 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.881 110.1 51.3 -67.9 -38.3 11.2 35.0 -23.5 117 228 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.919 109.7 52.0 -64.3 -44.9 8.6 32.7 -25.2 118 229 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.940 112.0 45.2 -53.8 -50.6 11.1 32.2 -28.0 119 230 A E H X S+ 0 0 57 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.902 114.0 49.0 -62.7 -44.5 13.8 31.3 -25.4 120 231 A K H X S+ 0 0 38 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.851 111.8 49.0 -59.0 -41.1 11.5 29.0 -23.4 121 232 A M H X S+ 0 0 1 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.910 108.4 53.0 -69.6 -42.8 10.4 27.2 -26.6 122 233 A A H X S+ 0 0 2 -4,-2.4 4,-1.1 -5,-0.2 -2,-0.2 0.899 110.1 49.5 -54.8 -42.0 14.0 26.8 -27.7 123 234 A T H >< S+ 0 0 75 -4,-1.9 3,-0.5 2,-0.2 4,-0.4 0.925 111.0 47.8 -62.4 -49.2 14.6 25.1 -24.3 124 235 A F H >< S+ 0 0 13 -4,-2.4 3,-1.6 1,-0.2 67,-0.2 0.930 109.0 57.5 -51.7 -47.0 11.6 22.8 -24.7 125 236 A H H 3< S+ 0 0 5 -4,-2.9 66,-1.1 1,-0.3 -1,-0.2 0.778 102.6 53.2 -63.4 -27.3 12.9 22.0 -28.2 126 237 A G T << S+ 0 0 56 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.462 85.4 111.1 -86.9 -1.1 16.2 20.8 -26.9 127 238 A M < - 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0 0 31 -4,-2.7 0, 0.0 -5,-0.2 0, 0.0 -0.741 47.3-166.4-101.0 146.7 1.5 -19.8 -12.5 669 432 B S + 0 0 111 -2,-0.3 -1,-0.1 2,-0.1 -4,-0.1 0.320 50.0 126.3-106.6 4.9 3.1 -22.3 -14.9 670 433 B I S S- 0 0 114 1,-0.1 2,-1.3 -6,-0.1 -2,-0.1 -0.291 73.8-107.4 -58.8 145.1 6.7 -21.5 -13.8 671 434 B E S S+ 0 0 154 2,-0.1 2,-0.3 3,-0.0 -1,-0.1 -0.651 75.8 115.5 -79.3 94.9 8.9 -24.4 -12.7 672 435 B F S S- 0 0 41 -2,-1.3 2,-2.1 -7,-0.0 3,-0.2 -0.968 73.5-113.8-160.5 141.0 9.0 -23.8 -8.9 673 436 B G > + 0 0 1 -76,-3.2 4,-2.2 -2,-0.3 5,-0.2 -0.478 44.6 166.9 -81.1 73.8 7.8 -25.7 -5.9 674 437 B Y H > S+ 0 0 23 -2,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.845 74.4 47.4 -57.0 -42.5 5.3 -23.0 -4.8 675 438 B M H > S+ 0 0 9 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.865 113.2 49.0 -67.8 -39.6 3.5 -25.2 -2.3 676 439 B D H > S+ 0 0 48 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.824 111.4 50.7 -65.1 -37.0 6.8 -26.3 -0.8 677 440 B Y H X S+ 0 0 9 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.900 107.1 52.2 -68.5 -44.0 7.9 -22.6 -0.6 678 441 B A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.909 111.2 48.1 -57.4 -47.0 4.6 -21.5 1.2 679 442 B Q H X S+ 0 0 28 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.873 108.7 53.9 -61.1 -40.4 5.2 -24.2 3.8 680 443 B A H X S+ 0 0 14 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.916 110.5 47.4 -56.4 -44.6 8.8 -23.1 4.2 681 444 B R H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.871 113.1 46.9 -67.0 -39.8 7.6 -19.5 4.9 682 445 B F H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.881 109.3 54.5 -73.0 -35.6 5.0 -20.7 7.4 683 446 B D H X S+ 0 0 79 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.915 112.0 44.9 -55.7 -43.1 7.5 -22.9 9.1 684 447 B A H X S+ 0 0 1 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.851 108.6 57.9 -70.4 -36.3 9.8 -19.8 9.5 685 448 B Y H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.944 110.8 40.9 -57.6 -53.6 6.8 -17.7 10.6 686 449 B F H X S+ 0 0 36 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.907 114.4 52.2 -64.8 -42.4 6.1 -20.1 13.6 687 450 B H H X S+ 0 0 78 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.930 109.4 50.6 -58.1 -45.7 9.8 -20.5 14.5 688 451 B Q H X S+ 0 0 4 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.885 107.8 52.5 -64.9 -36.5 10.2 -16.7 14.5 689 452 B K H X>S+ 0 0 28 -4,-1.9 5,-2.3 2,-0.2 4,-1.3 0.951 109.9 48.9 -59.7 -46.3 7.2 -16.3 16.9 690 453 B R H <5S+ 0 0 175 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.832 111.5 50.6 -61.0 -34.1 8.8 -18.9 19.2 691 454 B K H <5S+ 0 0 110 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.921 114.5 42.3 -65.6 -46.7 12.1 -16.9 19.0 692 455 B L H <5S- 0 0 50 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.623 110.6-123.6 -77.3 -13.0 10.3 -13.7 19.8 693 456 B G T <5 0 0 67 -4,-1.3 -3,-0.2 1,-0.2 -4,-0.1 0.858 360.0 360.0 70.4 36.5 8.3 -15.4 22.5 694 457 B V < 0 0 80 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.0 -0.556 360.0 360.0-121.3 360.0 5.0 -14.3 20.9