Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nf2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N ASP 1.A O no hydrogen 3.265 N/A GLU 7.A N THR 3.A O no hydrogen 3.130 N/A ARG 8.A N ALA 4.A O no hydrogen 2.948 N/A ARG 8.A NH1 GLU 64.A OE1 no hydrogen 3.385 N/A ARG 8.A NH1 GLU 64.A OE2 no hydrogen 2.796 N/A ARG 8.A NH2 GLU 64.A OE1 no hydrogen 2.624 N/A GLY 9.A N LEU 5.A O no hydrogen 2.968 N/A ARG 10.A N LEU 6.A O no hydrogen 3.123 N/A ARG 10.A NH1.A GLY 51.A O no hydrogen 2.913 N/A ARG 10.A NH1.B GLU 7.A OE1 no hydrogen 2.781 N/A THR 11.A N GLU 7.A O no hydrogen 2.938 N/A THR 11.A OG1 GLU 7.A O no hydrogen 2.965 N/A THR 11.A OG1 ARG 8.A O no hydrogen 3.418 N/A LEU 12.A N ARG 8.A O no hydrogen 3.272 N/A ALA 13.A N GLY 9.A O no hydrogen 3.113 N/A THR 14.A N ARG 10.A O no hydrogen 2.944 N/A THR 14.A OG1 ARG 10.A O no hydrogen 2.774 N/A LEU 17.A N ALA 13.A O no hydrogen 2.972 N/A ARG 18.A N THR 14.A O no hydrogen 2.790 N/A ALA 19.A N PRO 15.A O no hydrogen 3.078 N/A ALA 20.A N VAL 16.A O no hydrogen 3.135 N/A VAL 21.A N LEU 17.A O no hydrogen 2.902 N/A ASP 22.A N ARG 18.A O no hydrogen 2.955 N/A LEU 24.A N VAL 21.A O no hydrogen 3.185 N/A MET 28.A N ALA 25.A O no hydrogen 2.937 N/A THR 30.A N ASP 29.A OD1 no hydrogen 2.923 N/A THR 30.A OG1 PRO 27.A O no hydrogen 2.964 N/A VAL 31.A N PRO 27.A O no hydrogen 3.013 N/A ALA 32.A N MET 28.A O no hydrogen 2.997 N/A ALA 33.A N ASP 29.A O no hydrogen 3.060 N/A TYR 34.A N THR 30.A O no hydrogen 2.875 N/A TYR 34.A OH ASP 104.A O no hydrogen 2.657 N/A HIS 35.A N VAL 31.A O no hydrogen 3.004 N/A HIS 35.A NE2 ASN 85.A OD1 no hydrogen 2.805 N/A PHE 36.A N ALA 32.A O no hydrogen 2.854 N/A GLY 37.A N TYR 34.A O no hydrogen 2.944 N/A TRP 38.A N ALA 33.A O no hydrogen 2.932 N/A ASP 40.A N ASN 44.A O no hydrogen 2.731 N/A GLN 42.A N ASP 40.A OD2 no hydrogen 3.034 N/A GLY 43.A N ASP 40.A O no hydrogen 3.047 N/A ASN 44.A N ASP 40.A OD2 no hydrogen 3.306 N/A ALA 46.A N TRP 38.A O no hydrogen 3.096 N/A ARG 55.A NE GLU 81.A OE1 no hydrogen 2.821 N/A ARG 55.A NH2 GLU 81.A OE1 no hydrogen 3.516 N/A ARG 55.A NH2 GLU 81.A OE2 no hydrogen 2.955 N/A ALA 57.A N ALA 53.A O no hydrogen 3.215 N/A LEU 58.A N VAL 54.A O no hydrogen 2.936 N/A ALA 59.A N ARG 55.A O no hydrogen 2.974 N/A VAL 60.A N PRO 56.A O no hydrogen 3.100 N/A LEU 61.A N ALA 57.A O no hydrogen 3.130 N/A SER 62.A N LEU 58.A O no hydrogen 2.801 N/A SER 62.A OG SER 189.A O no hydrogen 2.745 N/A THR 66.A N ALA 63.A O no hydrogen 3.290 N/A THR 66.A OG1 ALA 63.A O no hydrogen 2.811 N/A THR 66.A OG1 GLY 196.A O no hydrogen 3.424 N/A GLY 67.A N GLU 64.A O no hydrogen 2.916 N/A VAL 72.A N ALA 69.A O no hydrogen 3.095 N/A GLY 73.A N PRO 70.A O no hydrogen 2.948 N/A VAL 74.A N GLU 71.A O no hydrogen 3.123 N/A ALA 77.A N GLY 73.A O no hydrogen 2.896 N/A VAL 78.A N VAL 74.A O no hydrogen 2.946 N/A ALA 79.A N PRO 75.A O no hydrogen 2.958 N/A VAL 80.A N GLY 76.A O no hydrogen 3.114 N/A GLU 81.A N ALA 77.A O no hydrogen 3.117 N/A LEU 82.A N VAL 78.A O no hydrogen 2.906 N/A VAL 83.A N ALA 79.A O no hydrogen 3.009 N/A HIS 84.A N VAL 80.A O no hydrogen 2.928 N/A ASN 85.A N GLU 81.A O no hydrogen 3.011 N/A ASN 85.A ND2 GLU 81.A O no hydrogen 2.475 N/A PHE 86.A N LEU 82.A O no hydrogen 2.916 N/A SER 87.A N VAL 83.A O no hydrogen 2.940 N/A SER 87.A OG ASP 91.A OD2 no hydrogen 3.197 N/A LEU 88.A N HIS 84.A O no hydrogen 3.088 N/A LEU 89.A N ASN 85.A O no hydrogen 2.965 N/A HIS 90.A N PHE 86.A O no hydrogen 3.193 N/A HIS 90.A NE2 ILE 116.A O no hydrogen 2.904 N/A ASP 91.A N SER 87.A O no hydrogen 2.786 N/A ASP 92.A N LEU 88.A O no hydrogen 2.828 N/A MET 94.A N HIS 90.A O no hydrogen 2.916 N/A ASP 95.A N ASP 91.A O no hydrogen 2.808 N/A GLY 96.A N LEU 93.A O no hydrogen 3.195 N/A ASP 97.A N ASP 92.A O no hydrogen 3.039 N/A GLN 99.A NE2 HIS 102.A O no hydrogen 3.119 N/A ARG 100.A N ARG 103.A O no hydrogen 2.876 N/A ARG 100.A NE ASP 92.A OD2 no hydrogen 2.941 N/A ARG 100.A NH2 ASP 92.A OD1 no hydrogen 3.175 N/A HIS 102.A NE2 GLY 234.A O no hydrogen 2.977 N/A ARG 103.A N ARG 100.A O no hydrogen 3.192 N/A ARG 103.A NH2 TYR 34.A O no hydrogen 2.446 N/A THR 105.A N GLU 98.A O no hydrogen 2.999 N/A THR 105.A OG1 ASP 97.A O no hydrogen 3.040 N/A TRP 107.A NE1 ASP 97.A O no hydrogen 2.703 N/A VAL 109.A N THR 105.A O no hydrogen 3.182 N/A HIS 110.A N VAL 106.A O no hydrogen 2.707 N/A GLY 111.A N TRP 107.A O no hydrogen 2.931 N/A ALA 115.A N GLY 111.A O no hydrogen 3.412 N/A ILE 116.A N PRO 112.A O no hydrogen 3.059 N/A LEU 117.A N ALA 113.A O no hydrogen 3.035 N/A VAL 118.A N GLN 114.A O no hydrogen 3.004 N/A GLY 119.A N ALA 115.A O no hydrogen 3.055 N/A ASP 120.A N ILE 116.A O no hydrogen 2.954 N/A ALA 121.A N LEU 117.A O no hydrogen 2.890 N/A LEU 122.A N VAL 118.A O no hydrogen 2.901 N/A PHE 123.A N GLY 119.A O no hydrogen 3.161 N/A ALA 124.A N ASP 120.A O no hydrogen 2.972 N/A LEU 125.A N ALA 121.A O no hydrogen 2.891 N/A ALA 126.A N LEU 122.A O no hydrogen 3.038 N/A GLU 128.A N ALA 124.A O no hydrogen 3.150 N/A VAL 129.A N LEU 125.A O no hydrogen 2.834 N/A LEU 131.A N ASN 127.A O no hydrogen 2.965 N/A GLU 132.A N GLU 128.A O no hydrogen 2.833 N/A LEU 133.A N LEU 130.A O no hydrogen 3.235 N/A GLY 134.A N LEU 131.A O no hydrogen 2.999 N/A ALA 138.A N THR 135.A OG1 no hydrogen 3.329 N/A GLY 139.A N THR 135.A O no hydrogen 3.375 N/A GLY 139.A N VAL 136.A O no hydrogen 3.193 N/A ARG 140.A N VAL 136.A O no hydrogen 3.137 N/A ALA 141.A N GLU 137.A O no hydrogen 2.862 N/A THR 142.A N ALA 138.A O no hydrogen 3.079 N/A THR 142.A OG1 ALA 138.A O no hydrogen 2.629 N/A ARG 143.A N GLY 139.A O no hydrogen 3.091 N/A ARG 144.A N ARG 140.A O no hydrogen 3.229 N/A ARG 144.A NH1 ASP 204.A OD1 no hydrogen 3.008 N/A ARG 144.A NH1 GLU 207.A OE2 no hydrogen 3.054 N/A ARG 144.A NH2 GLU 200.A OE2 no hydrogen 3.163 N/A ARG 144.A NH2 ASP 204.A OD1 no hydrogen 3.166 N/A LEU 145.A N ALA 141.A O no hydrogen 3.100 N/A THR 146.A N THR 142.A O no hydrogen 2.883 N/A THR 146.A OG1 THR 142.A O no hydrogen 2.737 N/A LYS 147.A N ARG 143.A O no hydrogen 3.204 N/A LYS 147.A NZ GLU 207.A OE1 no hydrogen 3.420 N/A ALA 148.A N ARG 144.A O no hydrogen 3.265 N/A SER 149.A N LEU 145.A O no hydrogen 2.906 N/A SER 149.A OG LEU 145.A O no hydrogen 3.336 N/A SER 149.A OG THR 146.A O no hydrogen 2.751 N/A ARG 150.A N THR 146.A O no hydrogen 2.864 N/A SER 151.A N LYS 147.A O no hydrogen 3.035 N/A SER 151.A OG LYS 147.A O no hydrogen 3.002 N/A LEU 152.A N ALA 148.A O no hydrogen 3.010 N/A ILE 153.A N SER 149.A O no hydrogen 3.113 N/A ASP 154.A N ARG 150.A O no hydrogen 2.937 N/A GLY 155.A N SER 151.A O no hydrogen 2.843 N/A GLN 156.A N LEU 152.A O no hydrogen 3.046 N/A GLN 156.A NE2 ASP 95.A OD1 no hydrogen 3.116 N/A ALA 157.A N ILE 153.A O no hydrogen 2.868 N/A GLN 158.A N ASP 154.A O no hydrogen 2.871 N/A ASP 159.A N GLY 155.A O no hydrogen 2.901 N/A ILE 160.A N GLN 156.A O no hydrogen 2.960 N/A SER 161.A N ALA 157.A O no hydrogen 2.812 N/A TYR 162.A N GLN 158.A O no hydrogen 2.995 N/A TYR 162.A N ASP 159.A O no hydrogen 3.196 N/A GLU 163.A N ILE 160.A O no hydrogen 3.314 N/A ARG 165.A N TYR 162.A O no hydrogen 3.050 N/A ARG 165.A NH1.A ARG 167.A O no hydrogen 2.900 N/A ARG 165.A NH1.A GLU 172.A OE1 no hydrogen 3.278 N/A ARG 165.A NH2.A GLU 172.A OE1 no hydrogen 3.386 N/A ARG 165.A NH2.A GLU 172.A OE2 no hydrogen 2.698 N/A ARG 167.A NH2 LEU 254.A O no hydrogen 3.082 N/A SER 169.A N GLU 172.A OE1 no hydrogen 2.879 N/A GLU 172.A N SER 169.A OG no hydrogen 3.055 N/A CYS 173.A N SER 169.A O no hydrogen 3.098 N/A CYS 173.A SG GLU 177.A OE1 no hydrogen 3.708 N/A CYS 173.A SG LYS 246.A O no hydrogen 3.645 N/A LEU 174.A N VAL 170.A O no hydrogen 2.935 N/A GLU 175.A N GLU 171.A O no hydrogen 3.069 N/A MET 176.A N GLU 172.A O no hydrogen 3.140 N/A GLU 177.A N CYS 173.A O no hydrogen 2.833 N/A GLY 178.A N LEU 174.A O no hydrogen 2.874 N/A ASN 179.A N GLU 175.A O no hydrogen 3.005 N/A ASN 179.A ND2 GLN 158.A OE1 no hydrogen 2.999 N/A LYS 180.A N MET 176.A O no hydrogen 2.790 N/A LYS 180.A NZ ASP 159.A OD1 no hydrogen 2.549 N/A THR 181.A N GLU 177.A O no hydrogen 2.822 N/A THR 181.A OG1 GLN 218.A OE1 no hydrogen 2.695 N/A GLY 182.A N GLU 177.A O no hydrogen 3.335 N/A ALA 183.A N GLY 178.A O no hydrogen 2.841 N/A LEU 185.A N THR 181.A O no hydrogen 3.487 N/A ALA 186.A N GLY 182.A O no hydrogen 2.954 N/A CYS 187.A N ALA 183.A O no hydrogen 3.186 N/A ALA 188.A N LEU 184.A O no hydrogen 2.886 N/A SER 189.A N LEU 185.A O no hydrogen 2.873 N/A SER 189.A OG LEU 185.A O no hydrogen 2.949 N/A SER 190.A N CYS 187.A O no hydrogen 3.163 N/A SER 190.A OG ALA 186.A O no hydrogen 3.169 N/A ILE 191.A N CYS 187.A O no hydrogen 2.895 N/A ALA 193.A N SER 62.A OG no hydrogen 2.973 N/A VAL 194.A N SER 190.A O no hydrogen 3.191 N/A LEU 195.A N ILE 191.A O no hydrogen 2.975 N/A GLY 196.A N GLY 192.A O no hydrogen 2.949 N/A GLY 196.A N ALA 193.A O no hydrogen 3.065 N/A GLY 197.A N VAL 194.A O no hydrogen 3.317 N/A ALA 198.A N ALA 193.A O no hydrogen 3.067 N/A ARG 201.A N ASP 199.A OD2.B no hydrogen 3.315 N/A THR 202.A N ASP 199.A OD1.B no hydrogen 3.345 N/A THR 202.A OG1 ASP 199.A OD1.B no hydrogen 2.444 N/A ALA 203.A N ASP 199.A O no hydrogen 3.201 N/A ASP 204.A N GLU 200.A O no hydrogen 3.398 N/A THR 205.A N ARG 201.A O no hydrogen 3.371 N/A THR 205.A OG1 ARG 201.A O no hydrogen 3.203 N/A LEU 206.A N THR 202.A O no hydrogen 3.302 N/A GLU 207.A N ALA 203.A O no hydrogen 2.942 N/A LYS 208.A N ASP 204.A O no hydrogen 2.951 N/A TYR 209.A N THR 205.A O no hydrogen 3.065 N/A TYR 209.A OH PHE 329.A O no hydrogen 2.751 N/A GLY 210.A N LEU 206.A O no hydrogen 3.005 N/A TYR 211.A N GLU 207.A O no hydrogen 2.820 N/A HIS 212.A N LYS 208.A O no hydrogen 3.231 N/A HIS 212.A ND1 GLN 308.A OE1 no hydrogen 2.475 N/A LEU 213.A N TYR 209.A O no hydrogen 2.916 N/A GLY 214.A N GLY 210.A O no hydrogen 2.797 N/A LEU 215.A N TYR 211.A O no hydrogen 3.018 N/A ALA 216.A N HIS 212.A O no hydrogen 3.093 N/A PHE 217.A N LEU 213.A O no hydrogen 2.906 N/A GLN 218.A N GLY 214.A O no hydrogen 2.854 N/A GLN 218.A NE2 ASP 222.A OD1 no hydrogen 3.085 N/A ALA 219.A N LEU 215.A O no hydrogen 2.943 N/A VAL 220.A N ALA 216.A O no hydrogen 3.122 N/A ASP 221.A N PHE 217.A O no hydrogen 2.827 N/A ASP 222.A N GLN 218.A O no hydrogen 2.773 N/A LEU 223.A N ALA 219.A O no hydrogen 3.007 N/A LEU 224.A N VAL 220.A O no hydrogen 2.874 N/A GLY 225.A N ASP 221.A O no hydrogen 2.789 N/A TRP 227.A N LEU 223.A O no hydrogen 2.884 N/A GLY 228.A N LEU 224.A O no hydrogen 3.098 N/A ALA 232.A N ASP 229.A O no hydrogen 2.849 N/A THR 233.A N ASP 229.A O no hydrogen 2.980 N/A THR 233.A OG1 ASP 229.A O no hydrogen 3.379 N/A THR 233.A OG1 LYS 235.A O no hydrogen 3.280 N/A GLY 234.A N PRO 230.A O no hydrogen 3.232 N/A LYS 235.A N THR 233.A OG1 no hydrogen 3.071 N/A TRP 238.A NE1 GLU 282.A OE1 no hydrogen 2.839 N/A SER 239.A OG GLY 225.A O no hydrogen 3.455 N/A ASP 240.A N GLY 225.A O no hydrogen 3.100 N/A LEU 241.A N TRP 238.A O no hydrogen 2.865 N/A ARG 242.A N TRP 238.A O no hydrogen 3.112 N/A ARG 242.A NE THR 237.A O no hydrogen 2.841 N/A ARG 242.A NH2 THR 237.A OG1 no hydrogen 3.266 N/A ARG 244.A N LEU 241.A O no hydrogen 3.317 N/A LYS 245.A N ASP 240.A O no hydrogen 3.046 N/A LEU 248.A N ASP 222.A OD2 no hydrogen 3.146 N/A VAL 251.A N SER 247.A O no hydrogen 2.975 N/A ALA 252.A N LEU 248.A O no hydrogen 2.850 N/A ALA 253.A N PRO 249.A O no hydrogen 2.942 N/A LEU 254.A N VAL 250.A O no hydrogen 3.065 N/A ALA 255.A N VAL 251.A O no hydrogen 3.003 N/A ALA 256.A N ALA 253.A O no hydrogen 3.312 N/A GLY 257.A N SER 261.A OG no hydrogen 3.004 N/A SER 261.A OG ALA 253.A O no hydrogen 2.792 N/A GLU 262.A N GLY 258.A O no hydrogen 2.848 N/A ARG 263.A N ALA 259.A O no hydrogen 3.209 N/A ARG 263.A NH2 GLU 266.A OE1 no hydrogen 2.758 N/A LEU 264.A N ALA 260.A O no hydrogen 3.004 N/A GLY 265.A N SER 261.A O no hydrogen 3.072 N/A GLU 266.A N GLU 262.A O no hydrogen 3.216 N/A ILE 267.A N ARG 263.A O no hydrogen 3.043 N/A LEU 268.A N LEU 264.A O no hydrogen 2.922 N/A THR 269.A N GLY 265.A O no hydrogen 3.175 N/A THR 269.A OG1 GLY 265.A O no hydrogen 2.887 N/A ALA 270.A N GLU 266.A O no hydrogen 2.971 N/A ASP 271.A N ILE 267.A O no hydrogen 2.657 N/A ALA 272.A N LEU 268.A O no hydrogen 3.289 N/A ALA 274.A N ASP 271.A O no hydrogen 3.276 N/A PHE 277.A N ALA 274.A O no hydrogen 3.224 N/A ASN 279.A N ASP 276.A O no hydrogen 2.912 N/A PHE 280.A N PHE 277.A O no hydrogen 3.183 N/A SER 281.A N GLU 284.A OE1 no hydrogen 3.189 N/A SER 281.A OG GLU 283.A OE1 no hydrogen 3.501 N/A SER 281.A OG GLU 284.A OE1 no hydrogen 3.325 N/A GLU 283.A N GLU 283.A OE1 no hydrogen 2.673 N/A GLU 284.A N SER 281.A OG no hydrogen 3.429 N/A PHE 285.A N SER 281.A O no hydrogen 3.220 N/A ALA 286.A N GLU 282.A O no hydrogen 2.708 N/A ALA 287.A N GLU 283.A O no hydrogen 2.818 N/A ARG 288.A N GLU 284.A O no hydrogen 3.298 N/A ARG 288.A NE ASP 271.A OD2 no hydrogen 2.738 N/A ARG 288.A NH1 GLU 284.A O no hydrogen 2.655 N/A ARG 288.A NH2 ASP 271.A OD1 no hydrogen 3.133 N/A ARG 288.A NH2 ASP 271.A OD2 no hydrogen 3.507 N/A ALA 289.A N PHE 285.A O no hydrogen 3.141 N/A ALA 290.A N ALA 286.A O no hydrogen 2.773 N/A LEU 291.A N ALA 287.A O no hydrogen 2.935 N/A ILE 292.A N ARG 288.A O no hydrogen 2.985 N/A GLU 293.A N ALA 289.A O no hydrogen 2.883 N/A GLU 294.A N ALA 290.A O no hydrogen 2.988 N/A ALA 295.A N LEU 291.A O no hydrogen 3.022 N/A GLY 296.A N GLU 293.A O no hydrogen 2.877 N/A GLY 297.A N ILE 292.A O no hydrogen 2.808 N/A ARG 298.A NH1 GLU 293.A OE1 no hydrogen 3.120 N/A ARG 298.A NH1 GLU 293.A OE2 no hydrogen 3.513 N/A TRP 300.A N GLY 296.A O no hydrogen 3.176 N/A THR 301.A N GLY 297.A O no hydrogen 3.193 N/A THR 301.A OG1 GLY 297.A O no hydrogen 2.821 N/A ALA 302.A N ARG 298.A O no hydrogen 2.974 N/A ASP 303.A N GLU 299.A O no hydrogen 2.951 N/A GLU 304.A N TRP 300.A O no hydrogen 2.945 N/A ALA 305.A N THR 301.A O no hydrogen 2.953 N/A ARG 306.A N ALA 302.A O no hydrogen 3.011 N/A ARG 306.A NH1 ASP 303.A OD1 no hydrogen 3.191 N/A ARG 307.A N ASP 303.A O no hydrogen 2.895 N/A GLN 308.A N GLU 304.A O no hydrogen 2.863 N/A HIS 309.A N ALA 305.A O no hydrogen 2.971 N/A HIS 309.A NE2 ASP 334.A OD1 no hydrogen 2.817 N/A THR 310.A N ARG 306.A O no hydrogen 3.189 N/A THR 310.A OG1 ARG 306.A O no hydrogen 3.151 N/A ILE 311.A N ARG 307.A O no hydrogen 3.019 N/A ALA 312.A N GLN 308.A O no hydrogen 2.938 N/A ILE 313.A N HIS 309.A O no hydrogen 2.921 N/A GLU 314.A N THR 310.A O no hydrogen 2.825 N/A ALA 315.A N ALA 312.A O no hydrogen 2.913 N/A LEU 316.A N ALA 312.A O no hydrogen 3.269 N/A ALA 318.A N ALA 315.A O no hydrogen 3.148 N/A VAL 319.A N LEU 316.A O no hydrogen 3.245 N/A VAL 325.A N PRO 322.A O no hydrogen 3.024 N/A ARG 326.A N PRO 322.A O no hydrogen 3.110 N/A ARG 326.A NH1.A MET 321.A O no hydrogen 2.940 N/A ARG 326.A NH1.B LEU 316.A O no hydrogen 2.504 N/A ARG 326.A NH2.A VAL 319.A O no hydrogen 2.803 N/A ARG 326.A NH2.A MET 321.A O no hydrogen 3.070 N/A ARG 326.A NH2.B VAL 319.A O no hydrogen 2.901 N/A ASP 327.A N ASP 323.A O no hydrogen 3.150 N/A ARG 328.A N ARG 324.A O no hydrogen 3.237 N/A PHE 329.A N VAL 325.A O no hydrogen 2.893 N/A THR 330.A N ARG 326.A O no hydrogen 2.903 N/A THR 330.A OG1 ARG 326.A O no hydrogen 3.104 N/A ALA 331.A N ASP 327.A O no hydrogen 3.101 N/A LEU 332.A N ARG 328.A O no hydrogen 3.299 N/A ALA 333.A N PHE 329.A O no hydrogen 3.392 N/A ASP 334.A N THR 330.A O no hydrogen 3.301 N/A PHE 335.A N ALA 331.A O no hydrogen 3.102 N/A VAL 336.A N LEU 332.A O no hydrogen 2.970 N/A