==== 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 MEMBRANE PROTEIN 02-JUL-03 1PX2 . COMPND 2 MOLECULE: SYNAPSIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR C.A.BRAUTIGAM,Y.CHELLIAH,J.DEISENHOFER . 588 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26956.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 433 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 132 22.4 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 . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 1 0.2 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 . 70 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 2 2 0 0 2 2 0 0 0 2 1 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 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 PARALLEL BRIDGES PER LADDER . 0 4 4 2 4 2 4 0 2 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 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 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 1 112 A A 0 0 138 0, 0.0 27,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.7 19.4 14.8 3.8 2 113 A A - 0 0 48 26,-0.1 2,-0.5 1,-0.1 28,-0.2 -0.150 360.0-121.2 -60.1 153.9 19.0 15.3 7.5 3 114 A R E -a 30 0A 78 26,-2.6 28,-2.4 67,-0.0 2,-0.5 -0.854 27.9-131.6 -97.8 132.2 16.0 17.1 9.0 4 115 A V E -a 31 0A 31 -2,-0.5 66,-3.3 64,-0.3 67,-1.3 -0.741 19.5-167.9 -92.7 128.9 16.9 20.1 11.0 5 116 A L E -ab 32 71A 0 26,-3.1 28,-2.5 -2,-0.5 2,-0.6 -0.962 6.3-157.3-116.5 122.0 15.4 20.6 14.5 6 117 A L E -ab 33 72A 1 65,-2.6 67,-2.7 -2,-0.5 2,-0.5 -0.870 7.3-164.3 -98.4 123.0 15.8 24.0 16.2 7 118 A V E -ab 34 73A 0 26,-2.7 28,-2.0 -2,-0.6 2,-0.9 -0.937 7.0-153.8-108.3 124.6 15.4 23.8 20.0 8 119 A I E +ab 35 74A 2 65,-3.0 67,-2.6 -2,-0.5 68,-0.4 -0.860 49.3 108.7-101.3 104.1 14.8 27.1 21.7 9 120 A D S S- 0 0 12 26,-1.1 67,-0.1 -2,-0.9 -2,-0.1 -0.975 72.2 -77.8-165.9 164.0 16.1 26.6 25.2 10 121 A E > - 0 0 85 -2,-0.3 3,-0.7 65,-0.1 25,-0.1 -0.211 48.8-109.5 -64.8 164.3 19.0 27.6 27.6 11 122 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.792 97.8 90.9 -69.0 -30.0 22.3 25.8 27.1 12 123 A H T 3 S+ 0 0 136 2,-0.1 2,-0.5 1,-0.0 -2,-0.0 0.761 83.2 59.8 -35.3 -42.6 22.2 23.7 30.3 13 124 A T S < S- 0 0 22 -3,-0.7 2,-1.3 1,-0.0 3,-0.1 -0.834 76.8-148.3 -97.8 127.9 20.5 20.9 28.5 14 125 A D >> + 0 0 89 -2,-0.5 4,-1.4 1,-0.2 3,-0.9 -0.681 20.5 175.1 -94.6 81.8 22.3 19.3 25.5 15 126 A W H 3> S+ 0 0 1 -2,-1.3 4,-2.0 1,-0.3 -1,-0.2 0.734 75.3 65.9 -60.7 -22.4 19.4 18.3 23.3 16 127 A A H 3> S+ 0 0 41 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.918 102.0 48.8 -64.5 -41.3 21.8 17.3 20.6 17 128 A K H <4 S+ 0 0 128 -3,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.900 112.3 47.7 -62.8 -43.7 23.0 14.5 22.9 18 129 A Y H < S+ 0 0 33 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.791 115.8 43.6 -69.9 -30.0 19.5 13.4 23.7 19 130 A F H >< S+ 0 0 2 -4,-2.0 3,-2.3 2,-0.1 -1,-0.2 0.583 86.0 124.4 -90.5 -11.3 18.5 13.4 20.0 20 131 A K T 3< S+ 0 0 172 -4,-1.1 3,-0.1 1,-0.3 11,-0.1 -0.205 79.9 11.3 -51.1 132.4 21.7 11.6 19.0 21 132 A G T 3 S+ 0 0 66 1,-0.3 -1,-0.3 9,-0.2 2,-0.2 0.182 93.3 131.1 84.3 -19.2 21.0 8.4 17.1 22 133 A K < - 0 0 103 -3,-2.3 8,-0.6 8,-0.1 2,-0.3 -0.463 36.6-171.0 -70.0 138.2 17.3 9.2 16.7 23 134 A K E > -D 29 0B 98 -2,-0.2 3,-0.8 6,-0.2 2,-0.6 -0.976 25.5-125.1-135.4 148.0 16.1 8.7 13.1 24 135 A I E >> S-D 28 0B 6 4,-3.2 4,-2.5 -2,-0.3 3,-1.2 -0.812 102.2 -4.4 -92.3 119.9 12.9 9.5 11.2 25 136 A H T 34 S- 0 0 125 -2,-0.6 -1,-0.3 1,-0.3 0, 0.0 0.790 120.1 -80.6 66.5 27.6 11.6 6.3 9.5 26 137 A G T <4 S+ 0 0 61 -3,-0.8 -1,-0.3 2,-0.2 -2,-0.1 0.446 131.0 62.8 60.6 -1.1 14.8 4.7 10.8 27 138 A E T <4 S+ 0 0 139 -3,-1.2 2,-0.4 1,-0.1 -2,-0.2 0.739 79.1 77.2-119.0 -43.9 16.7 6.2 7.9 28 139 A I E < S-D 24 0B 53 -4,-2.5 -4,-3.2 1,-0.1 -2,-0.2 -0.582 70.6-138.7 -79.2 129.3 16.6 10.0 8.1 29 140 A D E -D 23 0B 84 -2,-0.4 -26,-2.6 -6,-0.2 2,-0.5 -0.357 7.8-130.5 -82.4 163.2 18.9 11.7 10.6 30 141 A I E -a 3 0A 23 -8,-0.6 2,-0.5 -28,-0.2 -26,-0.2 -0.968 11.7-157.7-121.0 121.8 18.1 14.6 12.8 31 142 A K E -a 4 0A 100 -28,-2.4 -26,-3.1 -2,-0.5 2,-0.6 -0.865 14.6-148.9 -98.7 125.1 20.4 17.6 13.1 32 143 A V E +a 5 0A 18 -2,-0.5 2,-0.4 -28,-0.2 -26,-0.2 -0.847 16.9 179.8-104.6 119.8 20.0 19.6 16.3 33 144 A E E -a 6 0A 18 -28,-2.5 -26,-2.7 -2,-0.6 2,-0.4 -0.900 12.8-166.8-110.2 141.5 20.6 23.4 16.5 34 145 A Q E +a 7 0A 46 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.993 18.3 139.2-138.7 135.8 20.0 25.1 19.8 35 146 A A E -a 8 0A 9 -28,-2.0 -26,-1.1 -2,-0.4 2,-0.2 -0.987 42.9-105.9-163.8 162.3 19.7 28.7 21.0 36 147 A E > - 0 0 54 -2,-0.3 3,-2.2 -28,-0.2 4,-0.3 -0.631 37.1-110.5 -93.7 155.5 17.8 31.0 23.3 37 148 A F G > S+ 0 0 1 1,-0.3 3,-2.1 -2,-0.2 -1,-0.1 0.875 117.7 62.1 -49.8 -42.3 15.2 33.5 22.0 38 149 A S G 3 S+ 0 0 71 1,-0.3 -1,-0.3 47,-0.0 47,-0.0 0.711 102.6 50.8 -59.5 -21.2 17.6 36.3 22.8 39 150 A D G < S+ 0 0 61 -3,-2.2 16,-2.9 15,-0.0 2,-0.3 0.354 100.4 88.1 -97.4 4.8 20.1 35.0 20.3 40 151 A L E < +E 54 0C 21 -3,-2.1 2,-0.3 -4,-0.3 14,-0.2 -0.783 35.9 152.2-115.7 153.7 17.6 34.7 17.5 41 152 A N E -E 53 0C 22 12,-1.5 12,-2.1 -2,-0.3 2,-0.3 -0.883 18.0-175.9-154.3 173.9 16.1 36.7 14.6 42 153 A L E -E 52 0C 6 -2,-0.3 2,-0.3 10,-0.3 397,-0.3 -0.985 21.8-140.4-168.4 172.1 14.6 35.8 11.3 43 154 A V E -E 51 0C 18 8,-1.8 8,-2.0 -2,-0.3 2,-0.4 -0.982 20.7-168.9-144.3 133.9 13.2 36.8 7.9 44 155 A A E -EF 50 436C 0 392,-1.6 392,-3.0 -2,-0.3 2,-0.4 -0.983 6.2-156.0-131.7 142.5 10.3 35.0 6.2 45 156 A H E > - F 0 435C 63 4,-2.9 3,-1.9 -2,-0.4 390,-0.2 -0.898 24.9-128.9-116.3 144.6 8.8 35.3 2.7 46 157 A A T 3 S+ 0 0 5 388,-3.0 389,-0.1 -2,-0.4 -1,-0.1 0.794 106.7 67.2 -60.0 -26.9 5.3 34.5 1.6 47 158 A N T 3 S- 0 0 103 387,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.449 123.7 -98.1 -75.5 1.7 6.8 32.4 -1.1 48 159 A G S < S+ 0 0 27 -3,-1.9 -2,-0.1 1,-0.4 -1,-0.1 0.042 85.1 125.7 107.0 -27.2 8.2 29.9 1.4 49 160 A G + 0 0 30 -5,-0.1 -4,-2.9 2,-0.0 -1,-0.4 -0.363 30.4 142.9 -66.9 146.4 11.7 31.2 1.5 50 161 A F E -E 44 0C 35 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.976 33.3-150.6-171.4 168.8 13.1 32.1 5.0 51 162 A S E -E 43 0C 21 -8,-2.0 -8,-1.8 -2,-0.3 2,-0.7 -0.946 8.6-150.9-154.2 129.6 16.1 32.1 7.3 52 163 A V E -EG 42 67C 4 15,-3.4 15,-2.9 -2,-0.3 2,-0.6 -0.926 24.4-148.9-102.8 117.8 16.3 31.8 11.1 53 164 A D E -EG 41 66C 26 -12,-2.1 -12,-1.5 -2,-0.7 2,-0.5 -0.795 10.1-163.7 -99.0 123.3 19.4 33.6 12.1 54 165 A M E -EG 40 65C 10 11,-3.0 11,-2.6 -2,-0.6 2,-0.4 -0.890 13.3-141.4-104.6 121.4 21.4 32.5 15.2 55 166 A E E + G 0 64C 86 -16,-2.9 2,-0.3 -2,-0.5 9,-0.2 -0.679 31.4 168.9 -82.8 133.3 23.9 34.9 16.7 56 167 A V E - G 0 63C 42 7,-2.9 7,-2.4 -2,-0.4 2,-0.6 -0.894 36.7-108.1-138.6 166.1 27.0 33.2 17.9 57 168 A L E + G 0 62C 120 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.887 36.4 174.5-102.8 123.8 30.5 34.1 19.1 58 169 A R E > S- G 0 61C 131 3,-2.9 3,-2.6 -2,-0.6 -2,-0.0 -0.993 70.9 -19.1-130.9 124.0 33.4 33.3 16.7 59 170 A N T 3 S- 0 0 160 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.912 127.2 -55.4 45.3 48.2 37.0 34.3 17.3 60 171 A G T 3 S+ 0 0 69 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.685 118.6 113.9 60.2 19.8 35.6 36.8 19.8 61 172 A V E < S-G 58 0C 85 -3,-2.6 -3,-2.9 0, 0.0 2,-0.8 -0.951 72.5-115.4-124.6 143.8 33.4 38.3 17.2 62 173 A K E +G 57 0C 156 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.653 47.4 165.7 -78.4 110.0 29.6 38.4 16.9 63 174 A V E -G 56 0C 52 -7,-2.4 -7,-2.9 -2,-0.8 2,-0.4 -0.809 29.2-124.6-123.4 166.1 28.6 36.5 13.8 64 175 A V E -G 55 0C 89 -2,-0.3 2,-0.5 -9,-0.2 -9,-0.2 -0.927 9.5-160.1-118.9 134.2 25.4 35.0 12.4 65 176 A R E -G 54 0C 92 -11,-2.6 -11,-3.0 -2,-0.4 2,-0.5 -0.938 18.0-142.6-108.5 126.5 24.6 31.4 11.3 66 177 A S E -G 53 0C 74 -2,-0.5 2,-0.3 -13,-0.2 -13,-0.2 -0.794 23.7-179.1 -93.3 125.5 21.6 31.1 9.0 67 178 A L E -G 52 0C 9 -15,-2.9 -15,-3.4 -2,-0.5 -61,-0.0 -0.895 27.2-155.5-125.3 155.5 19.4 28.1 9.5 68 179 A K - 0 0 123 -2,-0.3 -64,-0.3 -17,-0.2 -17,-0.1 -0.739 25.6-157.0-126.7 79.2 16.3 26.6 7.9 69 180 A P - 0 0 5 0, 0.0 -64,-0.2 0, 0.0 3,-0.1 -0.210 15.3-161.0 -55.9 143.8 14.6 24.5 10.6 70 181 A D S S+ 0 0 49 -66,-3.3 2,-0.3 1,-0.4 -65,-0.2 0.604 81.6 3.9 -98.0 -18.5 12.3 21.8 9.5 71 182 A F E -b 5 0A 10 -67,-1.3 -65,-2.6 28,-0.1 -1,-0.4 -0.979 69.1-145.3-160.0 156.2 10.8 21.7 13.0 72 183 A V E -bc 6 101A 0 28,-1.8 30,-1.9 -2,-0.3 2,-0.5 -0.992 3.9-158.5-136.1 141.8 11.1 23.7 16.2 73 184 A L E -bc 7 102A 0 -67,-2.7 -65,-3.0 -2,-0.4 2,-0.7 -0.978 16.9-155.4-116.0 118.1 10.8 22.7 19.9 74 185 A I E +b 8 0A 2 28,-2.4 -65,-0.1 -2,-0.5 4,-0.1 -0.855 28.3 157.1-103.5 110.4 10.0 25.7 22.1 75 186 A R + 0 0 25 -67,-2.6 2,-0.3 -2,-0.7 -66,-0.2 0.371 55.2 73.3-109.3 0.0 11.2 25.4 25.8 76 187 A Q S S- 0 0 33 -68,-0.4 2,-0.2 -67,-0.1 195,-0.1 -0.804 91.3 -92.8-115.0 158.7 11.4 29.1 26.7 77 188 A H - 0 0 84 -2,-0.3 -40,-0.1 1,-0.1 -2,-0.1 -0.497 26.0-153.4 -69.6 132.2 8.7 31.7 27.4 78 189 A A S S+ 0 0 8 -2,-0.2 9,-2.2 30,-0.1 2,-0.3 0.666 73.6 33.7 -80.7 -16.2 7.8 33.6 24.3 79 190 A F + 0 0 24 7,-0.2 2,-0.3 8,-0.2 7,-0.2 -0.998 49.1 157.1-148.6 146.2 6.7 36.7 26.2 80 191 A S - 0 0 21 -2,-0.3 5,-0.4 5,-0.2 82,-0.2 -0.928 35.7-137.6-159.1 136.5 7.3 38.8 29.3 81 192 A M S S+ 0 0 79 80,-2.4 2,-0.1 -2,-0.3 81,-0.1 0.393 76.0 105.7 -80.7 4.9 6.4 42.4 29.9 82 193 A A S > S- 0 0 36 79,-0.2 3,-1.8 1,-0.2 -2,-0.2 -0.507 95.1 -68.9 -78.6 155.6 9.8 42.9 31.6 83 194 A R T 3 S- 0 0 232 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.1 -0.183 118.2 -0.4 -50.4 128.5 12.3 44.8 29.5 84 195 A N T 3 S+ 0 0 138 -3,-0.1 -1,-0.3 1,-0.1 -3,-0.1 0.714 95.2 114.7 63.5 26.7 13.4 42.8 26.4 85 196 A G < + 0 0 13 -3,-1.8 2,-0.9 -5,-0.4 -5,-0.2 0.301 43.9 110.4-104.8 9.8 11.3 39.7 27.2 86 197 A D + 0 0 88 -7,-0.2 -7,-0.2 -4,-0.2 3,-0.2 -0.743 22.1 149.0 -92.8 102.6 9.1 40.2 24.1 87 198 A Y >> + 0 0 55 -9,-2.2 4,-1.6 -2,-0.9 3,-1.0 0.117 34.6 116.6-115.5 19.2 9.7 37.5 21.5 88 199 A R H 3> S+ 0 0 27 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.863 71.8 57.3 -56.8 -38.1 6.2 37.5 20.1 89 200 A S H 3> S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.796 103.6 54.0 -67.2 -24.1 7.3 38.7 16.6 90 201 A L H <> S+ 0 0 10 -3,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.894 108.0 49.2 -73.6 -38.8 9.7 35.7 16.4 91 202 A V H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.935 112.2 49.3 -63.1 -43.3 6.7 33.4 17.1 92 203 A I H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.924 111.5 49.2 -59.9 -45.4 4.8 35.3 14.4 93 204 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.862 106.7 53.9 -63.7 -38.3 7.7 34.9 12.0 94 205 A L H <>S+ 0 0 6 -4,-2.5 5,-2.1 1,-0.2 4,-0.3 0.867 113.1 44.2 -65.3 -34.4 8.1 31.2 12.6 95 206 A Q H ><5S+ 0 0 45 -4,-1.7 3,-1.0 2,-0.2 -2,-0.2 0.866 108.9 56.5 -76.0 -37.0 4.4 30.7 11.7 96 207 A Y H 3<5S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.892 108.8 48.6 -59.0 -39.3 4.7 33.1 8.7 97 208 A A T 3<5S- 0 0 10 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.576 113.9-123.7 -77.8 -10.9 7.5 30.7 7.5 98 209 A G T < 5 + 0 0 42 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.749 49.1 163.6 74.8 26.0 5.2 27.7 8.1 99 210 A I < - 0 0 6 -5,-2.1 -1,-0.2 1,-0.1 6,-0.2 -0.673 36.3-126.7 -82.6 121.7 7.6 25.8 10.5 100 211 A P - 0 0 61 0, 0.0 -28,-1.8 0, 0.0 2,-0.3 -0.322 37.3-174.3 -64.9 147.9 5.9 22.9 12.5 101 212 A S E -c 72 0A 14 -30,-0.2 2,-0.4 -28,-0.0 -28,-0.2 -0.956 27.0-107.2-148.7 163.4 6.4 23.1 16.3 102 213 A V E S+c 73 0A 1 -30,-1.9 -28,-2.4 -2,-0.3 2,-0.2 -0.972 113.9 23.2-133.8 114.4 5.9 21.7 19.7 103 214 A N S S- 0 0 3 -2,-0.4 -1,-0.2 -30,-0.2 -29,-0.2 0.712 119.9 -98.6 -74.0 173.4 4.0 23.1 21.3 104 215 A S > - 0 0 34 141,-0.4 4,-2.6 -2,-0.2 5,-0.2 -0.195 21.9-126.4 -56.4 144.5 2.1 24.5 18.2 105 216 A L H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.877 111.0 58.9 -61.0 -34.9 3.0 28.0 17.3 106 217 A H H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.947 109.6 41.3 -59.4 -48.9 -0.7 28.8 17.5 107 218 A S H > S+ 0 0 2 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.888 112.5 55.1 -68.0 -36.7 -0.9 27.8 21.1 108 219 A V H < S+ 0 0 16 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.934 110.0 46.8 -60.3 -45.1 2.4 29.4 22.0 109 220 A Y H >< S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.923 113.0 48.0 -61.9 -47.2 1.1 32.8 20.6 110 221 A N H 3< S+ 0 0 0 -4,-2.2 3,-0.5 1,-0.3 -1,-0.2 0.642 102.6 64.5 -71.0 -13.2 -2.3 32.5 22.4 111 222 A F T 3< S+ 0 0 35 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.443 76.1 94.0 -87.2 1.0 -0.4 31.6 25.6 112 223 A C S < S+ 0 0 4 -3,-1.6 2,-0.3 1,-0.2 -1,-0.2 0.281 81.3 52.0 -79.5 12.9 1.2 35.1 25.6 113 224 A D S >> S- 0 0 2 -3,-0.5 4,-1.6 1,-0.1 3,-1.1 -0.858 73.3-153.5-146.4 105.0 -1.5 36.6 27.9 114 225 A K H 3> S+ 0 0 55 -2,-0.3 4,-2.8 1,-0.3 3,-0.3 0.883 95.2 50.5 -49.6 -46.9 -2.1 34.6 31.1 115 226 A P H 3> S+ 0 0 5 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.791 105.4 57.5 -65.0 -24.6 -5.7 35.8 31.5 116 227 A W H <> S+ 0 0 0 -3,-1.1 4,-0.8 2,-0.2 -2,-0.2 0.868 111.1 43.3 -70.6 -35.7 -6.5 34.8 27.9 117 228 A V H >X S+ 0 0 8 -4,-1.6 4,-1.3 -3,-0.3 3,-0.8 0.918 112.5 52.2 -72.7 -44.2 -5.3 31.3 28.9 118 229 A F H 3X S+ 0 0 9 -4,-2.8 4,-2.4 1,-0.3 -2,-0.2 0.851 99.8 64.5 -60.4 -34.7 -7.2 31.5 32.2 119 230 A A H 3X S+ 0 0 3 -4,-2.1 4,-1.8 1,-0.2 -1,-0.3 0.867 100.3 51.6 -57.6 -36.3 -10.4 32.5 30.2 120 231 A Q H S- 0 0 38 195,-0.3 3,-1.4 47,-0.1 4,-0.3 -0.959 84.0 -83.1-163.6 171.1 -6.6 48.2 33.9 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