============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 1 0.840 85.069 25.638 115.590 -99.200 -91.000 PHE 14 1.000 63.621 21.075 103.829 -99.200 -91.000 HIS 23 0.900 48.782 39.630 115.898 -99.200 -91.000 PHE 24 1.000 52.254 35.378 106.598 -99.200 -91.000 TYR 27 0.840 54.408 40.121 107.743 -99.200 -91.000 HIS 45 0.900 48.582 33.568 94.741 -99.200 -91.000 PHE 46 1.000 56.518 31.909 97.867 -99.200 -91.000 TYR 64 0.840 59.376 30.151 103.634 -99.200 -91.000 PHE 98 1.000 69.304 37.467 100.667 -99.200 -91.000 HIS 111 0.900 76.190 31.644 82.872 -99.200 -91.000 PHE 134 1.000 76.697 26.462 104.668 -99.200 -91.000 PHE 140 1.000 64.449 29.047 101.137 -99.200 -91.000 PHE 142 1.000 66.652 17.883 100.582 -99.200 -91.000 TYR 145 0.840 72.786 22.079 88.463 -99.200 -91.000 TYR 152 0.840 82.240 30.555 110.138 -99.200 -91.000 PHE 157 1.000 92.609 30.343 104.214 -99.200 -91.000 HIS 159 0.900 86.663 22.003 107.460 -99.200 -91.000 HIS 169 0.900 76.855 25.609 91.483 -99.200 -91.000 PHE 181 1.000 89.324 31.105 102.113 -99.200 -91.000 PHE 186 1.000 94.906 30.398 98.677 -99.200 -91.000 PHE 189 1.000 84.930 38.474 94.583 -99.200 -91.000 PHE 194 1.000 72.242 36.366 90.348 -99.200 -91.000 PHE 208 1.000 81.736 44.629 108.838 -99.200 -91.000 HIS 218 0.900 89.792 41.407 93.585 -99.200 -91.000 HIS 225 0.900 78.879 43.225 89.818 -99.200 -91.000 PHE 230 1.000 66.894 41.781 99.761 -99.200 -91.000 PHE 234 1.000 70.251 50.694 102.855 -99.200 -91.000 PHE 245 1.000 80.027 50.842 96.313 -99.200 -91.000 TYR 249 0.840 69.191 52.325 93.893 -99.200 -91.000 PHE 251 1.000 63.855 52.982 98.795 -99.200 -91.000 TYR 269 0.840 59.940 48.366 133.226 -99.200 -91.000 TYR 274 0.840 71.463 52.411 142.138 -99.200 -91.000 PHE 294 1.000 70.497 41.939 121.700 -99.200 -91.000 PHE 303 1.000 80.245 40.763 136.963 -99.200 -91.000 PHE 307 1.000 75.118 38.653 139.719 -99.200 -91.000 PHE 313 1.000 67.657 33.488 137.036 -99.200 -91.000 HIS 319 0.900 81.897 37.408 125.139 -99.200 -91.000 PHE 334 1.000 68.080 31.543 123.835 -99.200 -91.000 HIS 359 0.900 61.331 39.946 128.158 -99.200 -91.000 TYR 363 0.840 72.363 44.825 132.763 -99.200 -91.000 TYR 372 0.840 64.486 49.960 120.934 -99.200 -91.000 HIS 374 0.900 68.835 45.926 112.123 -99.200 -91.000 PHE 391 1.000 66.681 46.537 132.677 -99.200 -91.000 PHE 392 1.000 66.454 56.960 128.752 -99.200 -91.000 PHE 418 1.000 61.345 56.571 131.196 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2db3D1 TYR 202 HA -0.01 -0.01 0.14 -0.75 4.56 3.92 2db3D1 TYR 202 HB2 -0.00 -0.01 0.05 -0.04 3.06 3.06 2db3D1 TYR 202 HB3 0.01 0.03 0.08 -0.04 2.98 3.06 2db3D1 TYR 202 HD2 0.01 0.21 -0.09 -0.04 7.15 7.23 2db3D1 TYR 202 HE2 0.05 0.05 -0.19 -0.04 6.85 6.73 2db3D1 ILE 203 H -0.44 -0.06 0.16 -0.55 8.25 7.36 2db3D1 ILE 203 HA -0.49 -0.01 0.43 -0.75 4.18 3.35 2db3D1 ILE 203 HB -0.20 0.25 0.40 -0.04 1.89 2.29 2db3D1 ILE 203 HG12 -0.31 -0.05 0.02 -0.04 1.49 1.11 2db3D1 ILE 203 HG13 -0.14 -0.16 -0.42 -0.04 1.21 0.45 2db3D1 ILE 203 HG23 -0.63 0.01 -0.07 -0.04 0.93 0.20 2db3D1 ILE 203 HD13 -0.10 0.01 -0.04 -0.04 0.88 0.71 2db3D1 PRO 204 HA -0.12 0.13 0.53 -0.51 4.44 4.47 2db3D1 PRO 204 HB2 0.04 0.15 -0.06 -0.04 2.28 2.37 2db3D1 PRO 204 HB3 -0.05 -0.06 -0.00 -0.04 2.02 1.86 2db3D1 PRO 204 HG2 -0.09 0.09 -0.07 -0.04 2.03 1.92 2db3D1 PRO 204 HG3 -0.08 -0.01 -0.03 -0.04 2.03 1.87 2db3D1 PRO 204 HD2 -0.31 0.04 0.20 -0.04 3.68 3.57 2db3D1 PRO 204 HD3 -0.79 0.04 0.09 -0.04 3.65 2.94 2db3D1 PRO 205 HA -0.01 0.01 0.47 -0.51 4.44 4.40 2db3D1 PRO 205 HB2 0.04 0.11 -0.01 -0.04 2.28 2.38 2db3D1 PRO 205 HB3 0.03 -0.01 0.09 -0.04 2.02 2.10 2db3D1 PRO 205 HG2 0.06 0.03 0.07 -0.04 2.03 2.15 2db3D1 PRO 205 HG3 0.06 0.01 0.05 -0.04 2.03 2.11 2db3D1 PRO 205 HD2 0.13 0.01 0.16 -0.04 3.68 3.93 2db3D1 PRO 205 HD3 0.12 0.12 0.16 -0.04 3.65 4.02 2db3D1 GLU 206 H 0.03 0.05 0.16 -0.55 8.60 8.29 2db3D1 GLU 206 HA 0.08 0.07 0.41 -0.75 4.29 4.10 2db3D1 GLU 206 HB2 0.06 -0.06 0.08 -0.04 2.09 2.12 2db3D1 GLU 206 HB3 0.08 0.10 0.07 -0.04 1.99 2.20 2db3D1 GLU 206 HG2 0.12 0.01 0.03 -0.04 2.34 2.46 2db3D1 GLU 206 HG3 0.09 -0.02 0.08 -0.04 2.34 2.45 2db3D1 PRO 207 HA 0.06 0.01 0.43 -0.51 4.44 4.44 2db3D1 PRO 207 HB2 0.02 0.14 -0.03 -0.04 2.28 2.37 2db3D1 PRO 207 HB3 0.14 -0.01 0.06 -0.04 2.02 2.17 2db3D1 PRO 207 HG2 0.11 0.03 -0.01 -0.04 2.03 2.12 2db3D1 PRO 207 HG3 0.29 0.05 0.01 -0.04 2.03 2.34 2db3D1 PRO 207 HD2 0.15 0.06 0.18 -0.04 3.68 4.03 2db3D1 PRO 207 HD3 0.24 0.11 0.15 -0.04 3.65 4.11 2db3D1 SER 208 H 0.01 0.09 0.12 -0.55 8.46 8.14 2db3D1 SER 208 HA 0.02 0.12 0.56 -0.75 4.49 4.44 2db3D1 SER 208 HB2 0.01 0.08 0.10 -0.04 3.95 4.10 2db3D1 SER 208 HB3 -0.00 0.03 0.09 -0.04 3.93 4.01 2db3D1 ASN 209 H 0.03 0.13 0.15 -0.55 8.53 8.30 2db3D1 ASN 209 HA 0.05 0.26 0.69 -0.75 4.76 5.01 2db3D1 ASN 209 HB2 0.06 -0.05 0.07 -0.04 2.88 2.93 2db3D1 ASN 209 HB3 0.11 0.01 0.14 -0.04 2.79 3.00 2db3D1 ASN 209 HD21 0.04 0.06 -0.02 -0.04 7.03 7.06 2db3D1 ASN 209 HD22 0.04 -0.07 0.02 -0.04 7.74 7.69 2db3D1 ASP 210 H 0.02 -0.02 -0.18 -0.55 8.40 7.68 2db3D1 ASP 210 HA 0.05 0.10 0.48 -0.75 4.63 4.51 2db3D1 ASP 210 HB2 0.01 0.01 0.14 -0.04 2.71 2.83 2db3D1 ASP 210 HB3 -0.00 -0.16 0.09 -0.04 2.70 2.59 2db3D1 ALA 211 H 0.04 0.21 0.22 -0.55 8.40 8.32 2db3D1 ALA 211 HA -0.33 0.13 0.27 -0.75 4.34 3.66 2db3D1 ALA 211 HB3 -0.08 0.03 0.08 -0.04 1.41 1.40 2db3D1 ILE 212 H -0.03 -0.03 -0.47 -0.55 8.25 7.18 2db3D1 ILE 212 HA -0.03 0.18 0.40 -0.75 4.18 3.97 2db3D1 ILE 212 HB -0.03 -0.01 0.03 -0.04 1.89 1.85 2db3D1 ILE 212 HG12 -0.02 0.03 -0.25 -0.04 1.49 1.22 2db3D1 ILE 212 HG13 -0.03 0.06 0.01 -0.04 1.21 1.21 2db3D1 ILE 212 HG23 -0.01 -0.02 -0.04 -0.04 0.93 0.82 2db3D1 ILE 212 HD13 -0.02 -0.00 -0.04 -0.04 0.88 0.78 2db3D1 GLU 213 H -0.02 0.18 -0.06 -0.55 8.60 8.15 2db3D1 GLU 213 HA -0.03 0.15 0.61 -0.75 4.29 4.27 2db3D1 GLU 213 HB2 -0.02 -0.02 0.08 -0.04 2.09 2.09 2db3D1 GLU 213 HB3 -0.03 0.01 0.04 -0.04 1.99 1.97 2db3D1 GLU 213 HG2 -0.01 0.03 0.02 -0.04 2.34 2.34 2db3D1 GLU 213 HG3 -0.01 0.01 -0.07 -0.04 2.34 2.23 2db3D1 ILE 214 H -0.07 0.38 -0.29 -0.55 8.25 7.72 2db3D1 ILE 214 HA -0.22 0.05 0.39 -0.75 4.18 3.65 2db3D1 ILE 214 HB -0.28 -0.01 -0.13 -0.04 1.89 1.43 2db3D1 ILE 214 HG12 -0.16 0.01 -0.08 -0.04 1.49 1.21 2db3D1 ILE 214 HG13 -0.10 -0.08 -0.38 -0.04 1.21 0.61 2db3D1 ILE 214 HG23 -0.75 0.01 -0.16 -0.04 0.93 -0.01 2db3D1 ILE 214 HD13 -0.05 0.02 -0.11 -0.04 0.88 0.70 2db3D1 PHE 215 H 0.07 0.24 -0.49 -0.55 8.34 7.60 2db3D1 PHE 215 HA -0.20 0.17 0.83 -0.75 4.62 4.67 2db3D1 PHE 215 HB2 -0.17 0.05 0.04 -0.04 3.15 3.03 2db3D1 PHE 215 HB3 -0.15 0.07 0.11 -0.04 3.06 3.05 2db3D1 PHE 215 HD2 -0.30 0.16 -0.13 -0.04 7.28 6.96 2db3D1 PHE 215 HE2 -0.75 -0.01 -0.02 -0.04 7.38 6.56 2db3D1 PHE 215 HZ -0.08 0.00 0.02 -0.04 7.32 7.22 2db3D1 SER 216 H -0.06 0.19 -0.44 -0.55 8.46 7.61 2db3D1 SER 216 HA -0.00 0.08 0.50 -0.75 4.49 4.31 2db3D1 SER 216 HB2 -0.02 -0.07 0.06 -0.04 3.95 3.88 2db3D1 SER 216 HB3 -0.02 -0.00 0.18 -0.04 3.93 4.05 2db3D1 SER 217 H -0.09 0.04 -0.21 -0.55 8.46 7.66 2db3D1 SER 217 HA -0.03 0.02 0.39 -0.75 4.49 4.12 2db3D1 SER 217 HB2 -0.06 -0.11 0.06 -0.04 3.95 3.81 2db3D1 SER 217 HB3 -0.08 -0.03 0.05 -0.04 3.93 3.83 2db3D1 GLY 218 H -0.00 -0.01 0.10 -0.55 8.43 7.97 2db3D1 GLY 218 HA2 0.04 -0.13 0.32 -0.51 4.01 3.72 2db3D1 GLY 218 HA3 0.03 0.36 0.82 -0.51 4.01 4.71 2db3D1 ILE 219 H 0.05 0.20 0.11 -0.55 8.25 8.06 2db3D1 ILE 219 HA 0.03 0.16 0.83 -0.75 4.18 4.45 2db3D1 ILE 219 HB 0.05 -0.08 0.00 -0.04 1.89 1.82 2db3D1 ILE 219 HG12 0.04 0.06 -0.14 -0.04 1.49 1.41 2db3D1 ILE 219 HG13 0.04 -0.14 -0.35 -0.04 1.21 0.72 2db3D1 ILE 219 HG23 0.04 0.07 -0.12 -0.04 0.93 0.88 2db3D1 ILE 219 HD13 0.05 -0.02 -0.25 -0.04 0.88 0.63 2db3D1 ALA 220 H 0.02 0.13 0.07 -0.55 8.40 8.08 2db3D1 ALA 220 HA 0.02 0.08 0.44 -0.75 4.34 4.12 2db3D1 ALA 220 HB3 0.00 0.02 0.05 -0.04 1.41 1.44 2db3D1 SER 221 H -0.04 0.12 0.18 -0.55 8.46 8.17 2db3D1 SER 221 HA 0.04 0.05 0.51 -0.75 4.49 4.33 2db3D1 SER 221 HB2 -0.29 -0.01 0.20 -0.04 3.95 3.82 2db3D1 SER 221 HB3 -0.18 -0.02 0.19 -0.04 3.93 3.89 2db3D1 GLY 222 H 0.13 0.79 0.39 -0.55 8.43 9.19 2db3D1 GLY 222 HA2 0.01 0.09 0.34 -0.51 4.01 3.94 2db3D1 GLY 222 HA3 0.04 -0.11 0.01 -0.51 4.01 3.44 2db3D1 ILE 223 H -0.10 0.12 0.08 -0.55 8.25 7.81 2db3D1 ILE 223 HA -0.07 0.12 0.47 -0.75 4.18 3.95 2db3D1 ILE 223 HB -0.18 -0.00 0.19 -0.04 1.89 1.85 2db3D1 ILE 223 HG12 -0.12 -0.02 0.08 -0.04 1.49 1.39 2db3D1 ILE 223 HG13 -0.08 0.03 0.09 -0.04 1.21 1.21 2db3D1 ILE 223 HG23 -0.72 -0.00 -0.08 -0.04 0.93 0.09 2db3D1 ILE 223 HD13 -0.09 0.00 0.04 -0.04 0.88 0.79 2db3D1 HIS 224 H -0.15 0.43 -0.12 -0.55 8.41 8.02 2db3D1 HIS 224 HA -0.03 0.10 0.60 -0.75 4.63 4.54 2db3D1 HIS 224 HB2 -0.10 0.23 0.14 -0.04 3.26 3.49 2db3D1 HIS 224 HB3 -0.11 -0.08 0.17 -0.04 3.20 3.14 2db3D1 HIS 224 HD2 -0.03 0.12 -0.04 -0.04 6.97 6.98 2db3D1 HIS 224 HE1 -0.01 -0.01 -0.01 -0.04 7.75 7.67 2db3D1 PHE 225 H 0.13 0.44 -0.71 -0.55 8.34 7.64 2db3D1 PHE 225 HA -0.28 0.02 0.28 -0.75 4.62 3.89 2db3D1 PHE 225 HB2 -0.02 0.21 0.03 -0.04 3.15 3.33 2db3D1 PHE 225 HB3 -0.00 -0.00 0.03 -0.04 3.06 3.05 2db3D1 PHE 225 HD2 0.09 0.06 -0.14 -0.04 7.28 7.24 2db3D1 PHE 225 HE2 0.12 -0.01 -0.04 -0.04 7.38 7.41 2db3D1 PHE 225 HZ 0.09 0.14 -0.08 -0.04 7.32 7.42 2db3D1 SER 226 H 0.14 0.22 -0.09 -0.55 8.46 8.18 2db3D1 SER 226 HA 0.10 0.09 0.39 -0.75 4.49 4.31 2db3D1 SER 226 HB2 0.06 0.02 0.05 -0.04 3.95 4.04 2db3D1 SER 226 HB3 0.11 0.04 0.10 -0.04 3.93 4.14 2db3D1 LYS 227 H -0.06 0.19 -0.48 -0.55 8.42 7.51 2db3D1 LYS 227 HA -0.03 0.03 0.32 -0.75 4.32 3.88 2db3D1 LYS 227 HB2 -0.15 0.30 0.05 -0.04 1.87 2.04 2db3D1 LYS 227 HB3 -0.09 -0.03 0.02 -0.04 1.79 1.65 2db3D1 LYS 227 HG2 -0.03 -0.02 0.02 -0.04 1.46 1.40 2db3D1 LYS 227 HG3 0.02 -0.06 0.01 -0.04 1.46 1.39 2db3D1 LYS 227 HD2 -0.12 0.04 0.04 -0.04 1.69 1.60 2db3D1 LYS 227 HD3 -0.12 0.00 -0.00 -0.04 1.68 1.51 2db3D1 LYS 227 HE2 -0.04 -0.01 -0.00 -0.04 2.99 2.90 2db3D1 LYS 227 HE3 0.11 -0.02 0.00 -0.04 2.99 3.04 2db3D1 TYR 228 H -0.24 0.51 -0.44 -0.55 8.29 7.57 2db3D1 TYR 228 HA -0.12 -0.00 0.42 -0.75 4.56 4.10 2db3D1 TYR 228 HB2 -0.37 0.15 0.13 -0.04 3.06 2.93 2db3D1 TYR 228 HB3 -0.20 -0.06 0.06 -0.04 2.98 2.74 2db3D1 TYR 228 HD2 -0.68 0.04 0.07 -0.04 7.15 6.54 2db3D1 TYR 228 HE2 -0.16 -0.01 -0.03 -0.04 6.85 6.61 2db3D1 ASN 229 H 0.00 0.49 -0.23 -0.55 8.53 8.24 2db3D1 ASN 229 HA -0.00 0.05 0.39 -0.75 4.76 4.44 2db3D1 ASN 229 HB2 0.01 0.20 0.17 -0.04 2.88 3.22 2db3D1 ASN 229 HB3 0.00 -0.03 -0.05 -0.04 2.79 2.67 2db3D1 ASN 229 HD21 -0.01 -0.02 0.03 -0.04 7.03 6.99 2db3D1 ASN 229 HD22 -0.00 0.00 0.05 -0.04 7.74 7.75 2db3D1 ASN 230 H 0.00 0.51 -0.49 -0.55 8.53 8.00 2db3D1 ASN 230 HA -0.00 0.11 0.64 -0.75 4.76 4.75 2db3D1 ASN 230 HB2 -0.01 0.11 0.05 -0.04 2.88 2.98 2db3D1 ASN 230 HB3 -0.01 -0.07 0.11 -0.04 2.79 2.78 2db3D1 ASN 230 HD21 -0.00 -0.04 -0.04 -0.04 7.03 6.90 2db3D1 ASN 230 HD22 -0.01 -0.01 0.00 -0.04 7.74 7.68 2db3D1 ILE 231 H 0.01 0.38 -0.19 -0.55 8.25 7.91 2db3D1 ILE 231 HA 0.00 0.08 0.62 -0.75 4.18 4.13 2db3D1 ILE 231 HB 0.01 0.03 0.11 -0.04 1.89 2.00 2db3D1 ILE 231 HG12 0.03 -0.01 0.00 -0.04 1.49 1.46 2db3D1 ILE 231 HG13 0.05 0.09 0.12 -0.04 1.21 1.43 2db3D1 ILE 231 HG23 0.01 0.01 -0.09 -0.04 0.93 0.82 2db3D1 ILE 231 HD13 0.13 -0.03 0.03 -0.04 0.88 0.97 2db3D1 PRO 232 HA -0.01 0.05 0.43 -0.51 4.44 4.40 2db3D1 PRO 232 HB2 0.00 -0.08 0.05 -0.04 2.28 2.21 2db3D1 PRO 232 HB3 -0.00 0.04 0.08 -0.04 2.02 2.09 2db3D1 PRO 232 HG2 0.00 -0.02 0.11 -0.04 2.03 2.09 2db3D1 PRO 232 HG3 -0.00 0.10 0.13 -0.04 2.03 2.22 2db3D1 PRO 232 HD2 0.00 -0.04 0.26 -0.04 3.68 3.86 2db3D1 PRO 232 HD3 -0.00 0.29 0.38 -0.04 3.65 4.28 2db3D1 VAL 233 H -0.01 0.16 0.23 -0.55 8.24 8.07 2db3D1 VAL 233 HA -0.03 0.22 1.16 -0.75 4.13 4.73 2db3D1 VAL 233 HB -0.02 -0.02 0.13 -0.04 2.12 2.16 2db3D1 VAL 233 HG13 -0.04 -0.02 -0.18 -0.04 0.97 0.69 2db3D1 VAL 233 HG23 -0.04 0.05 -0.07 -0.04 0.95 0.85 2db3D1 LYS 234 H -0.04 0.65 0.34 -0.55 8.42 8.82 2db3D1 LYS 234 HA 0.01 0.17 1.00 -0.75 4.32 4.75 2db3D1 LYS 234 HB2 0.04 -0.00 -0.02 -0.04 1.87 1.85 2db3D1 LYS 234 HB3 0.04 0.04 0.15 -0.04 1.79 1.98 2db3D1 LYS 234 HG2 0.18 -0.04 -0.41 -0.04 1.46 1.15 2db3D1 LYS 234 HG3 0.08 0.05 -0.06 -0.04 1.46 1.49 2db3D1 LYS 234 HD2 0.08 -0.00 -0.05 -0.04 1.69 1.67 2db3D1 LYS 234 HD3 0.17 -0.03 -0.07 -0.04 1.68 1.72 2db3D1 LYS 234 HE2 0.34 -0.02 -0.16 -0.04 2.99 3.12 2db3D1 LYS 234 HE3 0.08 0.03 -0.11 -0.04 2.99 2.96 2db3D1 VAL 235 H 0.01 0.25 0.19 -0.55 8.24 8.14 2db3D1 VAL 235 HA -0.02 0.35 1.10 -0.75 4.13 4.81 2db3D1 VAL 235 HB -0.01 -0.04 0.04 -0.04 2.12 2.07 2db3D1 VAL 235 HG13 -0.01 0.02 -0.14 -0.04 0.97 0.79 2db3D1 VAL 235 HG23 -0.04 -0.01 -0.21 -0.04 0.95 0.64 2db3D1 THR 236 H 0.08 0.67 0.37 -0.55 8.28 8.85 2db3D1 THR 236 HA 0.02 0.14 0.91 -0.75 4.39 4.70 2db3D1 THR 236 HB 0.16 -0.04 0.09 -0.04 4.32 4.49 2db3D1 THR 236 HG23 -0.07 0.00 -0.02 -0.04 1.22 1.09 2db3D1 GLY 237 H -0.03 0.16 0.17 -0.55 8.43 8.18 2db3D1 GLY 237 HA2 -0.09 0.02 0.29 -0.51 4.01 3.72 2db3D1 GLY 237 HA3 -0.05 0.27 0.84 -0.51 4.01 4.56 2db3D1 SER 238 H -0.05 0.23 0.08 -0.55 8.46 8.17 2db3D1 SER 238 HA -0.03 0.08 0.79 -0.75 4.49 4.57 2db3D1 SER 238 HB2 -0.02 0.01 0.01 -0.04 3.95 3.90 2db3D1 SER 238 HB3 -0.03 -0.04 0.04 -0.04 3.93 3.85 2db3D1 ASP 239 H -0.01 0.06 0.11 -0.55 8.40 8.01 2db3D1 ASP 239 HA -0.01 -0.02 0.31 -0.75 4.63 4.16 2db3D1 ASP 239 HB2 -0.00 0.08 0.15 -0.04 2.71 2.90 2db3D1 ASP 239 HB3 -0.01 -0.03 0.07 -0.04 2.70 2.70 2db3D1 VAL 240 H -0.01 0.01 -0.21 -0.55 8.24 7.49 2db3D1 VAL 240 HA -0.00 0.25 0.61 -0.75 4.13 4.24 2db3D1 VAL 240 HB -0.01 -0.10 -0.08 -0.04 2.12 1.89 2db3D1 VAL 240 HG13 -0.01 0.05 -0.20 -0.04 0.97 0.76 2db3D1 VAL 240 HG23 -0.01 -0.01 -0.42 -0.04 0.95 0.47 2db3D1 PRO 241 HA 0.00 -0.05 0.43 -0.51 4.44 4.31 2db3D1 PRO 241 HB2 0.01 0.07 -0.13 -0.04 2.28 2.19 2db3D1 PRO 241 HB3 0.01 0.01 0.03 -0.04 2.02 2.03 2db3D1 PRO 241 HG2 0.01 -0.03 -0.10 -0.04 2.03 1.87 2db3D1 PRO 241 HG3 0.02 0.12 -0.05 -0.04 2.03 2.08 2db3D1 PRO 241 HD2 0.01 0.05 0.23 -0.04 3.68 3.92 2db3D1 PRO 241 HD3 0.01 0.24 0.18 -0.04 3.65 4.04 2db3D1 GLN 242 H -0.00 0.01 0.13 -0.55 8.47 8.06 2db3D1 GLN 242 HA -0.01 0.06 0.35 -0.75 4.36 4.00 2db3D1 GLN 242 HB2 -0.01 -0.04 0.05 -0.04 2.15 2.11 2db3D1 GLN 242 HB3 -0.01 0.07 0.06 -0.04 2.02 2.09 2db3D1 GLN 242 HG2 -0.01 0.02 0.05 -0.04 2.40 2.42 2db3D1 GLN 242 HG3 -0.00 -0.04 0.10 -0.04 2.39 2.40 2db3D1 GLN 242 HE21 -0.00 -0.05 0.01 -0.04 6.97 6.89 2db3D1 GLN 242 HE22 -0.01 0.01 0.01 -0.04 7.69 7.66 2db3D1 PRO 243 HA -0.03 0.27 0.44 -0.51 4.44 4.61 2db3D1 PRO 243 HB2 -0.05 -0.03 -0.12 -0.04 2.28 2.05 2db3D1 PRO 243 HB3 -0.05 -0.04 -0.20 -0.04 2.02 1.69 2db3D1 PRO 243 HG2 -0.03 -0.02 0.00 -0.04 2.03 1.94 2db3D1 PRO 243 HG3 -0.03 0.05 0.00 -0.04 2.03 2.02 2db3D1 PRO 243 HD2 -0.02 0.04 0.14 -0.04 3.68 3.80 2db3D1 PRO 243 HD3 -0.02 0.10 0.18 -0.04 3.65 3.87 2db3D1 ILE 244 H -0.06 0.46 0.29 -0.55 8.25 8.38 2db3D1 ILE 244 HA -0.04 0.16 0.76 -0.75 4.18 4.30 2db3D1 ILE 244 HB -0.06 -0.09 -0.05 -0.04 1.89 1.65 2db3D1 ILE 244 HG12 -0.07 -0.07 -0.04 -0.04 1.49 1.27 2db3D1 ILE 244 HG13 -0.08 0.23 0.20 -0.04 1.21 1.52 2db3D1 ILE 244 HG23 -0.01 0.02 -0.04 -0.04 0.93 0.85 2db3D1 ILE 244 HD13 -0.24 0.00 -0.49 -0.04 0.88 0.11 2db3D1 GLN 245 H -0.10 0.08 0.13 -0.55 8.47 8.04 2db3D1 GLN 245 HA -0.24 0.25 0.94 -0.75 4.36 4.55 2db3D1 GLN 245 HB2 -0.27 -0.02 0.04 -0.04 2.15 1.85 2db3D1 GLN 245 HB3 -0.53 -0.00 0.03 -0.04 2.02 1.47 2db3D1 GLN 245 HG2 -0.09 0.04 -0.23 -0.04 2.40 2.08 2db3D1 GLN 245 HG3 -0.08 -0.02 -0.06 -0.04 2.39 2.18 2db3D1 GLN 245 HE21 -0.07 -0.02 -0.13 -0.04 6.97 6.71 2db3D1 GLN 245 HE22 -0.06 0.06 -0.26 -0.04 7.69 7.39 2db3D1 HIS 246 H -0.09 0.15 0.14 -0.55 8.41 8.06 2db3D1 HIS 246 HA -0.14 0.19 0.74 -0.75 4.63 4.66 2db3D1 HIS 246 HB2 0.01 0.06 -0.08 -0.04 3.26 3.21 2db3D1 HIS 246 HB3 0.04 0.05 0.12 -0.04 3.20 3.37 2db3D1 HIS 246 HD2 -0.01 -0.04 -0.07 -0.04 6.97 6.80 2db3D1 HIS 246 HE1 0.02 -0.01 -0.04 -0.04 7.75 7.67 2db3D1 PHE 247 H 0.18 0.23 0.07 -0.55 8.34 8.28 2db3D1 PHE 247 HA 0.05 0.04 0.50 -0.75 4.62 4.45 2db3D1 PHE 247 HB2 0.06 0.11 -0.03 -0.04 3.15 3.25 2db3D1 PHE 247 HB3 0.03 -0.07 0.05 -0.04 3.06 3.03 2db3D1 PHE 247 HD2 0.05 0.07 -0.11 -0.04 7.28 7.24 2db3D1 PHE 247 HE2 0.08 -0.01 -0.45 -0.04 7.38 6.96 2db3D1 PHE 247 HZ 0.12 -0.05 -0.21 -0.04 7.32 7.14 2db3D1 THR 248 H 0.18 0.12 0.09 -0.55 8.28 8.12 2db3D1 THR 248 HA 0.08 0.01 0.30 -0.75 4.39 4.03 2db3D1 THR 248 HB 0.09 0.30 0.12 -0.04 4.32 4.79 2db3D1 THR 248 HG23 0.04 0.00 0.11 -0.04 1.22 1.33 2db3D1 SER 249 H 0.08 -0.17 -0.42 -0.55 8.46 7.40 2db3D1 SER 249 HA 0.05 0.18 0.67 -0.75 4.49 4.62 2db3D1 SER 249 HB2 0.10 0.05 -0.10 -0.04 3.95 3.96 2db3D1 SER 249 HB3 0.07 0.40 -0.05 -0.04 3.93 4.31 2db3D1 ALA 250 H 0.06 -0.30 0.04 -0.55 8.40 7.65 2db3D1 ALA 250 HA 0.02 0.31 0.71 -0.75 4.34 4.62 2db3D1 ALA 250 HB3 0.02 0.01 0.03 -0.04 1.41 1.42 2db3D1 ASP 251 H 0.04 0.11 -0.55 -0.55 8.40 7.44 2db3D1 ASP 251 HA 0.03 0.02 0.18 -0.75 4.63 4.11 2db3D1 ASP 251 HB2 0.03 0.13 -0.05 -0.04 2.71 2.78 2db3D1 ASP 251 HB3 0.03 0.01 0.05 -0.04 2.70 2.75 2db3D1 LEU 252 H 0.05 -0.12 -0.22 -0.55 8.37 7.52 2db3D1 LEU 252 HA 0.02 0.26 0.75 -0.75 4.35 4.62 2db3D1 LEU 252 HB2 0.06 -0.15 -0.06 -0.04 1.64 1.45 2db3D1 LEU 252 HB3 0.02 0.02 -0.06 -0.04 1.64 1.58 2db3D1 LEU 252 HG 0.08 -0.07 -0.23 -0.04 1.64 1.38 2db3D1 LEU 252 HD13 0.15 -0.02 -0.09 -0.04 0.93 0.93 2db3D1 LEU 252 HD23 0.02 0.07 -0.16 -0.04 0.89 0.77 2db3D1 ARG 253 H 0.00 0.16 0.12 -0.55 8.46 8.20 2db3D1 ARG 253 HA 0.02 0.12 0.48 -0.75 4.34 4.20 2db3D1 ARG 253 HB2 -0.01 -0.03 0.19 -0.04 1.90 2.01 2db3D1 ARG 253 HB3 0.01 -0.04 0.04 -0.04 1.80 1.76 2db3D1 ARG 253 HG2 0.01 0.03 0.04 -0.04 1.67 1.71 2db3D1 ARG 253 HG3 0.00 0.14 0.11 -0.04 1.67 1.88 2db3D1 ARG 253 HD2 0.02 -0.09 0.02 -0.04 3.22 3.14 2db3D1 ARG 253 HD3 0.03 0.10 -0.04 -0.04 3.22 3.26 2db3D1 ASP 254 H 0.02 0.23 0.19 -0.55 8.40 8.28 2db3D1 ASP 254 HA 0.02 0.05 0.32 -0.75 4.63 4.27 2db3D1 ASP 254 HB2 0.01 -0.01 0.09 -0.04 2.71 2.76 2db3D1 ASP 254 HB3 0.01 0.05 0.03 -0.04 2.70 2.74 2db3D1 ILE 255 H 0.01 0.09 -0.28 -0.55 8.25 7.52 2db3D1 ILE 255 HA 0.01 0.08 0.40 -0.75 4.18 3.91 2db3D1 ILE 255 HB 0.01 -0.03 0.07 -0.04 1.89 1.89 2db3D1 ILE 255 HG12 0.00 0.08 -0.13 -0.04 1.49 1.40 2db3D1 ILE 255 HG13 -0.01 -0.03 0.03 -0.04 1.21 1.15 2db3D1 ILE 255 HG23 -0.01 -0.00 -0.11 -0.04 0.93 0.77 2db3D1 ILE 255 HD13 -0.03 0.04 -0.21 -0.04 0.88 0.64 2db3D1 ILE 256 H -0.00 0.36 -0.09 -0.55 8.25 7.97 2db3D1 ILE 256 HA 0.02 0.28 0.49 -0.75 4.18 4.23 2db3D1 ILE 256 HB -0.02 -0.01 0.07 -0.04 1.89 1.88 2db3D1 ILE 256 HG12 -0.02 -0.07 0.06 -0.04 1.49 1.42 2db3D1 ILE 256 HG13 -0.05 -0.05 -0.01 -0.04 1.21 1.06 2db3D1 ILE 256 HG23 -0.09 0.00 -0.07 -0.04 0.93 0.74 2db3D1 ILE 256 HD13 -0.03 0.03 -0.09 -0.04 0.88 0.75 2db3D1 ILE 257 H 0.00 0.36 -0.24 -0.55 8.25 7.82 2db3D1 ILE 257 HA -0.07 -0.00 0.36 -0.75 4.18 3.72 2db3D1 ILE 257 HB 0.01 0.16 -0.02 -0.04 1.89 2.00 2db3D1 ILE 257 HG12 0.05 -0.07 -0.09 -0.04 1.49 1.34 2db3D1 ILE 257 HG13 0.02 0.07 -0.26 -0.04 1.21 1.00 2db3D1 ILE 257 HG23 0.02 -0.00 -0.09 -0.04 0.93 0.82 2db3D1 ILE 257 HD13 0.07 -0.02 -0.06 -0.04 0.88 0.83 2db3D1 ASP 258 H 0.01 0.35 -0.46 -0.55 8.40 7.75 2db3D1 ASP 258 HA -0.00 0.02 0.45 -0.75 4.63 4.34 2db3D1 ASP 258 HB2 0.03 0.27 0.20 -0.04 2.71 3.17 2db3D1 ASP 258 HB3 0.03 -0.02 -0.02 -0.04 2.70 2.65 2db3D1 ASN 259 H 0.07 0.45 -0.10 -0.55 8.53 8.40 2db3D1 ASN 259 HA 0.22 0.03 0.47 -0.75 4.76 4.73 2db3D1 ASN 259 HB2 0.17 0.09 0.21 -0.04 2.88 3.31 2db3D1 ASN 259 HB3 0.18 0.07 0.07 -0.04 2.79 3.07 2db3D1 ASN 259 HD21 0.10 0.17 -0.14 -0.04 7.03 7.13 2db3D1 ASN 259 HD22 0.10 0.09 0.01 -0.04 7.74 7.90 2db3D1 VAL 260 H -0.02 0.46 -0.18 -0.55 8.24 7.96 2db3D1 VAL 260 HA -0.20 -0.01 0.37 -0.75 4.13 3.54 2db3D1 VAL 260 HB -0.23 0.10 0.11 -0.04 2.12 2.06 2db3D1 VAL 260 HG13 -0.76 -0.01 -0.18 -0.04 0.97 -0.02 2db3D1 VAL 260 HG23 -0.31 0.07 -0.04 -0.04 0.95 0.63 2db3D1 ASN 261 H -0.07 0.49 -0.32 -0.55 8.53 8.08 2db3D1 ASN 261 HA -0.06 0.10 0.38 -0.75 4.76 4.43 2db3D1 ASN 261 HB2 -0.04 0.15 0.22 -0.04 2.88 3.18 2db3D1 ASN 261 HB3 -0.04 -0.04 -0.05 -0.04 2.79 2.62 2db3D1 ASN 261 HD21 0.01 -0.04 -0.00 -0.04 7.03 6.95 2db3D1 ASN 261 HD22 -0.02 -0.01 -0.01 -0.04 7.74 7.66 2db3D1 LYS 262 H -0.05 0.44 -0.15 -0.55 8.42 8.11 2db3D1 LYS 262 HA -0.16 0.01 0.45 -0.75 4.32 3.87 2db3D1 LYS 262 HB2 -0.14 0.10 0.11 -0.04 1.87 1.90 2db3D1 LYS 262 HB3 -0.84 -0.04 0.05 -0.04 1.79 0.91 2db3D1 LYS 262 HG2 -0.21 -0.08 0.02 -0.04 1.46 1.14 2db3D1 LYS 262 HG3 -0.09 0.35 0.09 -0.04 1.46 1.77 2db3D1 LYS 262 HD2 -0.10 0.03 -0.05 -0.04 1.69 1.53 2db3D1 LYS 262 HD3 -0.62 -0.04 -0.02 -0.04 1.68 0.95 2db3D1 LYS 262 HE2 -0.08 -0.05 -0.03 -0.04 2.99 2.79 2db3D1 LYS 262 HE3 0.01 0.00 -0.09 -0.04 2.99 2.88 2db3D1 SER 263 H -0.04 0.46 -0.35 -0.55 8.46 7.99 2db3D1 SER 263 HA 0.09 0.09 0.44 -0.75 4.49 4.36 2db3D1 SER 263 HB2 -0.58 0.07 0.13 -0.04 3.95 3.53 2db3D1 SER 263 HB3 -0.41 -0.13 0.08 -0.04 3.93 3.42 2db3D1 GLY 264 H -0.04 0.34 -0.75 -0.55 8.43 7.43 2db3D1 GLY 264 HA2 0.02 0.06 0.24 -0.51 4.01 3.82 2db3D1 GLY 264 HA3 0.06 0.06 0.50 -0.51 4.01 4.13 2db3D1 TYR 265 H 0.05 0.29 -0.19 -0.55 8.29 7.88 2db3D1 TYR 265 HA -0.01 0.00 0.44 -0.75 4.56 4.24 2db3D1 TYR 265 HB2 -0.24 0.02 -0.06 -0.04 3.06 2.74 2db3D1 TYR 265 HB3 0.02 -0.05 -0.16 -0.04 2.98 2.74 2db3D1 TYR 265 HD2 -0.06 -0.01 -0.23 -0.04 7.15 6.81 2db3D1 TYR 265 HE2 0.07 -0.01 -0.05 -0.04 6.85 6.83 2db3D1 LYS 266 H 0.08 0.03 0.18 -0.55 8.42 8.15 2db3D1 LYS 266 HA 0.13 0.23 0.94 -0.75 4.32 4.87 2db3D1 LYS 266 HB2 -0.01 -0.06 0.15 -0.04 1.87 1.91 2db3D1 LYS 266 HB3 0.07 -0.02 0.01 -0.04 1.79 1.80 2db3D1 LYS 266 HG2 0.04 0.03 -0.10 -0.04 1.46 1.39 2db3D1 LYS 266 HG3 0.01 0.18 -0.14 -0.04 1.46 1.46 2db3D1 LYS 266 HD2 -0.03 -0.02 0.01 -0.04 1.69 1.61 2db3D1 LYS 266 HD3 0.01 -0.04 -0.01 -0.04 1.68 1.60 2db3D1 LYS 266 HE2 0.00 -0.00 -0.03 -0.04 2.99 2.92 2db3D1 LYS 266 HE3 -0.01 0.08 -0.01 -0.04 2.99 3.01 2db3D1 ILE 267 H 0.14 0.06 0.15 -0.55 8.25 8.05 2db3D1 ILE 267 HA 0.20 0.25 0.98 -0.75 4.18 4.85 2db3D1 ILE 267 HB 0.34 -0.07 0.04 -0.04 1.89 2.16 2db3D1 ILE 267 HG12 0.16 0.09 -0.05 -0.04 1.49 1.64 2db3D1 ILE 267 HG13 0.13 -0.16 -0.35 -0.04 1.21 0.80 2db3D1 ILE 267 HG23 0.10 0.11 -0.04 -0.04 0.93 1.06 2db3D1 ILE 267 HD13 0.16 -0.01 -0.03 -0.04 0.88 0.96 2db3D1 PRO 268 HA 0.09 -0.04 0.36 -0.51 4.44 4.35 2db3D1 PRO 268 HB2 -0.28 0.12 -0.20 -0.04 2.28 1.87 2db3D1 PRO 268 HB3 -0.50 -0.03 -0.18 -0.04 2.02 1.27 2db3D1 PRO 268 HG2 -0.63 0.00 -0.56 -0.04 2.03 0.80 2db3D1 PRO 268 HG3 -2.30 -0.05 -0.23 -0.04 2.03 -0.59 2db3D1 PRO 268 HD2 -0.20 0.42 0.11 -0.04 3.68 3.96 2db3D1 PRO 268 HD3 -0.13 0.10 0.22 -0.04 3.65 3.80 2db3D1 THR 269 H 0.04 0.01 0.15 -0.55 8.28 7.93 2db3D1 THR 269 HA -0.13 0.23 0.53 -0.75 4.39 4.26 2db3D1 THR 269 HB -0.05 0.00 0.13 -0.04 4.32 4.36 2db3D1 THR 269 HG23 -0.11 -0.02 0.01 -0.04 1.22 1.07 2db3D1 PRO 270 HA -0.10 0.14 0.38 -0.51 4.44 4.34 2db3D1 PRO 270 HB2 -0.16 -0.08 0.10 -0.04 2.28 2.10 2db3D1 PRO 270 HB3 -0.09 0.13 0.06 -0.04 2.02 2.08 2db3D1 PRO 270 HG2 -0.16 0.10 0.09 -0.04 2.03 2.03 2db3D1 PRO 270 HG3 -0.10 0.11 -0.03 -0.04 2.03 1.97 2db3D1 PRO 270 HD2 -0.64 0.06 0.22 -0.04 3.68 3.28 2db3D1 PRO 270 HD3 -0.36 0.18 0.21 -0.04 3.65 3.64 2db3D1 ILE 271 H -0.14 0.16 -0.16 -0.55 8.25 7.56 2db3D1 ILE 271 HA -0.03 0.12 0.36 -0.75 4.18 3.87 2db3D1 ILE 271 HB -0.03 0.01 -0.03 -0.04 1.89 1.80 2db3D1 ILE 271 HG12 0.21 -0.07 -0.19 -0.04 1.49 1.40 2db3D1 ILE 271 HG13 0.20 0.02 -0.13 -0.04 1.21 1.26 2db3D1 ILE 271 HG23 -0.00 0.01 -0.31 -0.04 0.93 0.58 2db3D1 ILE 271 HD13 -0.02 0.02 -0.10 -0.04 0.88 0.75 2db3D1 GLN 272 H -0.06 0.13 -0.42 -0.55 8.47 7.58 2db3D1 GLN 272 HA 0.03 0.05 0.47 -0.75 4.36 4.16 2db3D1 GLN 272 HB2 -0.03 0.04 0.12 -0.04 2.15 2.24 2db3D1 GLN 272 HB3 0.02 0.02 -0.05 -0.04 2.02 1.97 2db3D1 GLN 272 HG2 0.02 -0.01 -0.09 -0.04 2.40 2.28 2db3D1 GLN 272 HG3 -0.01 -0.02 -0.01 -0.04 2.39 2.31 2db3D1 GLN 272 HE21 -0.02 0.03 -0.01 -0.04 6.97 6.93 2db3D1 GLN 272 HE22 -0.00 -0.03 0.00 -0.04 7.69 7.62 2db3D1 LYS 273 H -0.08 0.61 -0.15 -0.55 8.42 8.25 2db3D1 LYS 273 HA -0.12 -0.01 0.30 -0.75 4.32 3.74 2db3D1 LYS 273 HB2 -0.08 0.07 0.11 -0.04 1.87 1.92 2db3D1 LYS 273 HB3 -0.09 0.05 0.01 -0.04 1.79 1.71 2db3D1 LYS 273 HG2 -0.17 0.01 -0.08 -0.04 1.46 1.18 2db3D1 LYS 273 HG3 -0.12 0.04 -0.37 -0.04 1.46 0.97 2db3D1 LYS 273 HD2 -0.09 -0.09 -0.10 -0.04 1.69 1.38 2db3D1 LYS 273 HD3 -0.10 0.02 -0.03 -0.04 1.68 1.52 2db3D1 LYS 273 HE2 -0.16 0.05 0.05 -0.04 2.99 2.88 2db3D1 LYS 273 HE3 -0.09 0.19 -0.10 -0.04 2.99 2.95 2db3D1 CYS 274 H -0.04 0.33 -0.25 -0.55 8.50 7.99 2db3D1 CYS 274 HA -0.03 0.12 0.53 -0.75 4.58 4.45 2db3D1 CYS 274 HB2 -0.04 -0.02 0.06 -0.04 2.97 2.93 2db3D1 CYS 274 HB3 -0.04 -0.00 -0.06 -0.04 2.97 2.83 2db3D1 SER 275 H 0.03 0.50 -0.07 -0.55 8.46 8.37 2db3D1 SER 275 HA 0.05 0.05 0.39 -0.75 4.49 4.23 2db3D1 SER 275 HB2 0.18 0.01 0.09 -0.04 3.95 4.19 2db3D1 SER 275 HB3 0.29 -0.04 -0.04 -0.04 3.93 4.09 2db3D1 ILE 276 H 0.03 0.52 -0.10 -0.55 8.25 8.16 2db3D1 ILE 276 HA 0.06 0.06 0.48 -0.75 4.18 4.03 2db3D1 ILE 276 HB -0.01 0.12 0.10 -0.04 1.89 2.06 2db3D1 ILE 276 HG12 0.04 0.03 0.07 -0.04 1.49 1.59 2db3D1 ILE 276 HG13 0.03 0.07 0.17 -0.04 1.21 1.44 2db3D1 ILE 276 HG23 0.03 -0.04 -0.11 -0.04 0.93 0.77 2db3D1 ILE 276 HD13 0.07 -0.05 -0.09 -0.04 0.88 0.77 2db3D1 PRO 277 HA 0.03 0.05 0.51 -0.51 4.44 4.52 2db3D1 PRO 277 HB2 0.01 0.03 -0.10 -0.04 2.28 2.18 2db3D1 PRO 277 HB3 0.01 -0.05 0.03 -0.04 2.02 1.97 2db3D1 PRO 277 HG2 0.00 0.16 -0.05 -0.04 2.03 2.10 2db3D1 PRO 277 HG3 -0.01 0.10 0.09 -0.04 2.03 2.17 2db3D1 PRO 277 HD2 -0.00 0.10 -0.25 -0.04 3.68 3.50 2db3D1 PRO 277 HD3 -0.01 -0.03 0.09 -0.04 3.65 3.65 2db3D1 VAL 278 H 0.03 0.30 -0.37 -0.55 8.24 7.66 2db3D1 VAL 278 HA 0.03 0.06 0.41 -0.75 4.13 3.88 2db3D1 VAL 278 HB 0.04 0.06 0.08 -0.04 2.12 2.27 2db3D1 VAL 278 HG13 0.04 -0.01 -0.16 -0.04 0.97 0.80 2db3D1 VAL 278 HG23 0.01 0.04 0.01 -0.04 0.95 0.96 2db3D1 ILE 279 H 0.09 0.51 -0.10 -0.55 8.25 8.20 2db3D1 ILE 279 HA 0.13 0.15 0.45 -0.75 4.18 4.16 2db3D1 ILE 279 HB 0.12 0.04 0.12 -0.04 1.89 2.13 2db3D1 ILE 279 HG12 0.18 -0.01 -0.04 -0.04 1.49 1.58 2db3D1 ILE 279 HG13 0.16 0.32 0.10 -0.04 1.21 1.74 2db3D1 ILE 279 HG23 0.20 -0.01 -0.15 -0.04 0.93 0.93 2db3D1 ILE 279 HD13 0.32 -0.02 -0.04 -0.04 0.88 1.10 2db3D1 SER 280 H 0.07 0.46 -0.15 -0.55 8.46 8.29 2db3D1 SER 280 HA 0.09 0.02 0.39 -0.75 4.49 4.24 2db3D1 SER 280 HB2 0.05 0.08 0.13 -0.04 3.95 4.17 2db3D1 SER 280 HB3 0.05 -0.05 0.04 -0.04 3.93 3.93 2db3D1 SER 281 H 0.06 0.39 -0.39 -0.55 8.46 7.97 2db3D1 SER 281 HA 0.04 0.01 0.42 -0.75 4.49 4.21 2db3D1 SER 281 HB2 0.04 0.11 0.13 -0.04 3.95 4.18 2db3D1 SER 281 HB3 0.03 -0.08 0.15 -0.04 3.93 3.99 2db3D1 GLY 282 H 0.09 0.47 -0.65 -0.55 8.43 7.79 2db3D1 GLY 282 HA2 0.05 0.03 0.28 -0.51 4.01 3.86 2db3D1 GLY 282 HA3 0.02 0.02 0.50 -0.51 4.01 4.03 2db3D1 ARG 283 H 0.06 0.34 -0.07 -0.55 8.46 8.23 2db3D1 ARG 283 HA 0.02 0.11 0.72 -0.75 4.34 4.44 2db3D1 ARG 283 HB2 0.05 -0.02 0.02 -0.04 1.90 1.90 2db3D1 ARG 283 HB3 0.04 0.01 0.14 -0.04 1.80 1.95 2db3D1 ARG 283 HG2 0.03 -0.02 -0.20 -0.04 1.67 1.43 2db3D1 ARG 283 HG3 0.03 -0.05 0.06 -0.04 1.67 1.67 2db3D1 ARG 283 HD2 0.02 0.00 0.01 -0.04 3.22 3.21 2db3D1 ARG 283 HD3 0.01 0.01 -0.05 -0.04 3.22 3.15 2db3D1 ASP 284 H 0.05 0.20 0.21 -0.55 8.40 8.32 2db3D1 ASP 284 HA 0.05 0.15 0.75 -0.75 4.63 4.83 2db3D1 ASP 284 HB2 0.10 0.19 0.17 -0.04 2.71 3.12 2db3D1 ASP 284 HB3 0.07 -0.06 0.15 -0.04 2.70 2.82 2db3D1 LEU 285 H 0.02 0.50 0.44 -0.55 8.37 8.78 2db3D1 LEU 285 HA 0.07 0.23 0.98 -0.75 4.35 4.88 2db3D1 LEU 285 HB2 0.03 0.13 -0.31 -0.04 1.64 1.45 2db3D1 LEU 285 HB3 -0.09 -0.16 0.00 -0.04 1.64 1.36 2db3D1 LEU 285 HG -0.01 0.07 -0.10 -0.04 1.64 1.56 2db3D1 LEU 285 HD13 -0.08 -0.03 -0.11 -0.04 0.93 0.67 2db3D1 LEU 285 HD23 -0.14 0.02 -0.22 -0.04 0.89 0.51 2db3D1 MET 286 H 0.01 0.73 0.30 -0.55 8.47 8.96 2db3D1 MET 286 HA -0.13 0.10 0.89 -0.75 4.52 4.63 2db3D1 MET 286 HB2 -0.24 0.02 -0.08 -0.04 2.15 1.80 2db3D1 MET 286 HB3 0.21 -0.03 0.18 -0.04 2.03 2.35 2db3D1 MET 286 HG2 -0.17 -0.01 -0.21 -0.04 2.63 2.19 2db3D1 MET 286 HG3 -0.21 -0.03 -0.04 -0.04 2.56 2.23 2db3D1 MET 286 HE3 -0.43 0.04 -0.09 -0.04 2.10 1.58 2db3D1 ALA 287 H -0.37 0.82 0.37 -0.55 8.40 8.67 2db3D1 ALA 287 HA -0.29 0.28 1.17 -0.75 4.34 4.75 2db3D1 ALA 287 HB3 -0.67 -0.02 0.02 -0.04 1.41 0.70 2db3D1 CYS 288 H -0.21 0.80 0.38 -0.55 8.50 8.93 2db3D1 CYS 288 HA 0.09 0.35 1.08 -0.75 4.58 5.35 2db3D1 CYS 288 HB2 -0.08 -0.01 0.20 -0.04 2.97 3.04 2db3D1 CYS 288 HB3 0.09 -0.06 -0.05 -0.04 2.97 2.90 2db3D1 ALA 289 H 0.07 0.42 0.22 -0.55 8.40 8.57 2db3D1 ALA 289 HA -0.00 0.25 0.72 -0.75 4.34 4.55 2db3D1 ALA 289 HB3 0.00 -0.01 -0.08 -0.04 1.41 1.29 2db3D1 GLN 290 H 0.01 0.23 0.15 -0.55 8.47 8.30 2db3D1 GLN 290 HA -0.00 0.06 0.39 -0.75 4.36 4.06 2db3D1 GLN 290 HB2 0.02 -0.02 0.12 -0.04 2.15 2.22 2db3D1 GLN 290 HB3 0.02 0.10 0.10 -0.04 2.02 2.20 2db3D1 GLN 290 HG2 0.03 -0.08 0.06 -0.04 2.40 2.37 2db3D1 GLN 290 HG3 0.08 0.11 -0.19 -0.04 2.39 2.35 2db3D1 GLN 290 HE21 0.10 -0.04 0.03 -0.04 6.97 7.01 2db3D1 GLN 290 HE22 0.18 0.11 -0.02 -0.04 7.69 7.92 2db3D1 THR 291 H -0.02 0.15 0.20 -0.55 8.28 8.06 2db3D1 THR 291 HA 0.03 -0.09 0.49 -0.75 4.39 4.06 2db3D1 THR 291 HB 0.02 0.17 0.11 -0.04 4.32 4.58 2db3D1 THR 291 HG23 -0.08 -0.01 0.13 -0.04 1.22 1.22 2db3D1 GLY 292 H 0.05 0.05 0.20 -0.55 8.43 8.19 2db3D1 GLY 292 HA2 0.06 0.00 0.37 -0.51 4.01 3.92 2db3D1 GLY 292 HA3 0.07 0.16 0.41 -0.51 4.01 4.15 2db3D1 SER 293 H 0.02 0.23 -0.26 -0.55 8.46 7.90 2db3D1 SER 293 HA -0.07 0.24 0.87 -0.75 4.49 4.79 2db3D1 SER 293 HB2 -0.38 -0.05 0.14 -0.04 3.95 3.61 2db3D1 SER 293 HB3 -0.06 0.11 -0.10 -0.04 3.93 3.84 2db3D1 GLY 294 H -0.01 0.02 -0.22 -0.55 8.43 7.67 2db3D1 GLY 294 HA2 -0.04 0.02 0.24 -0.51 4.01 3.73 2db3D1 GLY 294 HA3 -0.07 0.21 0.48 -0.51 4.01 4.12 2db3D1 LYS 295 H -0.00 0.08 -0.02 -0.55 8.42 7.93 2db3D1 LYS 295 HA -0.02 0.20 0.40 -0.75 4.32 4.14 2db3D1 LYS 295 HB2 0.08 -0.06 0.02 -0.04 1.87 1.87 2db3D1 LYS 295 HB3 0.12 0.05 -0.05 -0.04 1.79 1.86 2db3D1 LYS 295 HG2 0.27 0.08 -0.15 -0.04 1.46 1.62 2db3D1 LYS 295 HG3 0.09 -0.02 -0.17 -0.04 1.46 1.32 2db3D1 LYS 295 HD2 0.40 -0.05 -0.09 -0.04 1.69 1.91 2db3D1 LYS 295 HD3 0.18 0.10 -0.11 -0.04 1.68 1.81 2db3D1 LYS 295 HE2 0.15 -0.08 -0.08 -0.04 2.99 2.94 2db3D1 LYS 295 HE3 0.17 -0.22 -0.21 -0.04 2.99 2.69 2db3D1 THR 296 H -0.13 0.06 -0.15 -0.55 8.28 7.51 2db3D1 THR 296 HA -0.96 0.10 0.29 -0.75 4.39 3.07 2db3D1 THR 296 HB -0.12 0.03 0.00 -0.04 4.32 4.19 2db3D1 THR 296 HG23 -0.19 0.03 -0.07 -0.04 1.22 0.95 2db3D1 ALA 297 H -0.16 0.11 -0.22 -0.55 8.40 7.58 2db3D1 ALA 297 HA -0.39 0.06 0.43 -0.75 4.34 3.69 2db3D1 ALA 297 HB3 -0.01 0.05 0.00 -0.04 1.41 1.41 2db3D1 ALA 298 H -0.24 0.13 -0.53 -0.55 8.40 7.21 2db3D1 ALA 298 HA -0.02 0.02 0.32 -0.75 4.34 3.91 2db3D1 ALA 298 HB3 0.02 0.08 -0.04 -0.04 1.41 1.42 2db3D1 PHE 299 H -0.71 0.24 -0.44 -0.55 8.34 6.89 2db3D1 PHE 299 HA -0.02 0.28 0.91 -0.75 4.62 5.04 2db3D1 PHE 299 HB2 -0.02 0.02 -0.05 -0.04 3.15 3.05 2db3D1 PHE 299 HB3 -0.36 -0.02 -0.14 -0.04 3.06 2.50 2db3D1 PHE 299 HD2 -0.97 0.02 -0.23 -0.04 7.28 6.05 2db3D1 PHE 299 HE2 -0.20 -0.10 -0.16 -0.04 7.38 6.87 2db3D1 PHE 299 HZ -0.10 -0.09 -0.07 -0.04 7.32 7.02 2db3D1 LEU 300 H -0.65 0.44 0.07 -0.55 8.37 7.69 2db3D1 LEU 300 HA -0.03 0.07 0.34 -0.75 4.35 3.98 2db3D1 LEU 300 HB2 -0.30 -0.06 0.06 -0.04 1.64 1.30 2db3D1 LEU 300 HB3 -0.06 0.02 -0.08 -0.04 1.64 1.47 2db3D1 LEU 300 HG -0.59 0.10 -0.01 -0.04 1.64 1.10 2db3D1 LEU 300 HD13 0.04 -0.01 -0.21 -0.04 0.93 0.70 2db3D1 LEU 300 HD23 0.12 -0.00 -0.11 -0.04 0.89 0.86 2db3D1 LEU 301 H -0.31 0.40 -0.11 -0.55 8.37 7.80 2db3D1 LEU 301 HA -0.24 0.02 0.35 -0.75 4.35 3.73 2db3D1 LEU 301 HB2 -0.12 0.16 0.09 -0.04 1.64 1.73 2db3D1 LEU 301 HB3 -0.13 -0.08 -0.04 -0.04 1.64 1.35 2db3D1 LEU 301 HG -0.58 0.02 0.10 -0.04 1.64 1.15 2db3D1 LEU 301 HD13 -0.12 -0.01 -0.08 -0.04 0.93 0.68 2db3D1 LEU 301 HD23 -0.90 -0.01 -0.05 -0.04 0.89 -0.12 2db3D1 PRO 302 HA -0.02 0.01 0.37 -0.51 4.44 4.29 2db3D1 PRO 302 HB2 0.04 0.06 -0.07 -0.04 2.28 2.27 2db3D1 PRO 302 HB3 0.03 0.06 0.15 -0.04 2.02 2.22 2db3D1 PRO 302 HG2 0.04 0.09 -0.05 -0.04 2.03 2.06 2db3D1 PRO 302 HG3 0.08 0.18 0.06 -0.04 2.03 2.30 2db3D1 PRO 302 HD2 -0.08 -0.05 -0.53 -0.04 3.68 2.99 2db3D1 PRO 302 HD3 -0.02 0.08 0.04 -0.04 3.65 3.71 2db3D1 ILE 303 H -0.10 0.31 -0.59 -0.55 8.25 7.32 2db3D1 ILE 303 HA -0.49 0.12 0.43 -0.75 4.18 3.49 2db3D1 ILE 303 HB -0.17 0.07 0.06 -0.04 1.89 1.81 2db3D1 ILE 303 HG12 -0.45 0.02 -0.07 -0.04 1.49 0.95 2db3D1 ILE 303 HG13 -0.05 0.08 -0.00 -0.04 1.21 1.20 2db3D1 ILE 303 HG23 -0.77 -0.02 -0.20 -0.04 0.93 -0.10 2db3D1 ILE 303 HD13 0.06 -0.05 -0.14 -0.04 0.88 0.71 2db3D1 LEU 304 H -0.14 0.74 0.06 -0.55 8.37 8.49 2db3D1 LEU 304 HA -0.14 -0.00 0.37 -0.75 4.35 3.82 2db3D1 LEU 304 HB2 -0.09 0.06 0.14 -0.04 1.64 1.70 2db3D1 LEU 304 HB3 -0.08 -0.05 -0.06 -0.04 1.64 1.41 2db3D1 LEU 304 HG -0.07 0.15 0.04 -0.04 1.64 1.72 2db3D1 LEU 304 HD13 0.02 -0.02 -0.19 -0.04 0.93 0.69 2db3D1 LEU 304 HD23 -0.07 -0.03 -0.09 -0.04 0.89 0.67 2db3D1 SER 305 H -0.09 0.70 -0.11 -0.55 8.46 8.42 2db3D1 SER 305 HA -0.05 -0.09 0.42 -0.75 4.49 4.02 2db3D1 SER 305 HB2 -0.04 -0.01 0.11 -0.04 3.95 3.97 2db3D1 SER 305 HB3 -0.03 0.23 0.15 -0.04 3.93 4.25 2db3D1 LYS 306 H -0.06 0.63 -0.09 -0.55 8.42 8.35 2db3D1 LYS 306 HA 0.03 -0.06 0.41 -0.75 4.32 3.95 2db3D1 LYS 306 HB2 -0.05 0.14 0.23 -0.04 1.87 2.14 2db3D1 LYS 306 HB3 0.17 0.02 -0.03 -0.04 1.79 1.91 2db3D1 LYS 306 HG2 0.07 -0.04 0.13 -0.04 1.46 1.58 2db3D1 LYS 306 HG3 0.21 0.07 0.06 -0.04 1.46 1.77 2db3D1 LYS 306 HD2 0.14 0.02 0.05 -0.04 1.69 1.85 2db3D1 LYS 306 HD3 0.08 -0.15 0.11 -0.04 1.68 1.67 2db3D1 LYS 306 HE2 0.10 0.29 0.14 -0.04 2.99 3.47 2db3D1 LYS 306 HE3 0.07 -0.08 0.04 -0.04 2.99 2.98 2db3D1 LEU 307 H -0.12 0.49 -0.35 -0.55 8.37 7.85 2db3D1 LEU 307 HA -0.02 0.08 0.31 -0.75 4.35 3.97 2db3D1 LEU 307 HB2 -0.17 0.18 0.11 -0.04 1.64 1.72 2db3D1 LEU 307 HB3 -0.20 -0.12 0.02 -0.04 1.64 1.30 2db3D1 LEU 307 HG -0.19 0.23 -0.01 -0.04 1.64 1.63 2db3D1 LEU 307 HD13 -0.08 -0.05 -0.09 -0.04 0.93 0.67 2db3D1 LEU 307 HD23 0.05 -0.00 -0.03 -0.04 0.89 0.88 2db3D1 LEU 308 H -0.06 0.43 -0.39 -0.55 8.37 7.80 2db3D1 LEU 308 HA 0.02 0.06 0.67 -0.75 4.35 4.34 2db3D1 LEU 308 HB2 -0.04 0.13 0.23 -0.04 1.64 1.93 2db3D1 LEU 308 HB3 0.03 -0.09 0.00 -0.04 1.64 1.53 2db3D1 LEU 308 HG -0.02 -0.09 0.03 -0.04 1.64 1.52 2db3D1 LEU 308 HD13 -0.45 -0.01 -0.12 -0.04 0.93 0.30 2db3D1 LEU 308 HD23 -0.10 0.01 -0.04 -0.04 0.89 0.73 2db3D1 GLU 309 H 0.02 0.57 0.14 -0.55 8.60 8.78 2db3D1 GLU 309 HA 0.04 -0.08 0.40 -0.75 4.29 3.90 2db3D1 GLU 309 HB2 0.03 -0.11 0.06 -0.04 2.09 2.03 2db3D1 GLU 309 HB3 0.04 0.06 0.15 -0.04 1.99 2.20 2db3D1 GLU 309 HG2 0.05 0.06 -0.23 -0.04 2.34 2.18 2db3D1 GLU 309 HG3 0.04 -0.08 0.02 -0.04 2.34 2.28 2db3D1 ASP 310 H 0.06 0.63 -0.17 -0.55 8.40 8.38 2db3D1 ASP 310 HA 0.10 0.13 0.88 -0.75 4.63 4.99 2db3D1 ASP 310 HB2 0.09 -0.07 -0.02 -0.04 2.71 2.66 2db3D1 ASP 310 HB3 0.09 0.04 0.16 -0.04 2.70 2.95 2db3D1 PRO 311 HA 0.15 0.16 0.61 -0.51 4.44 4.85 2db3D1 PRO 311 HB2 0.17 -0.08 -0.01 -0.04 2.28 2.32 2db3D1 PRO 311 HB3 0.21 0.08 0.16 -0.04 2.02 2.43 2db3D1 PRO 311 HG2 0.10 -0.08 0.06 -0.04 2.03 2.07 2db3D1 PRO 311 HG3 0.10 -0.04 0.06 -0.04 2.03 2.11 2db3D1 PRO 311 HD2 0.10 0.06 0.08 -0.04 3.68 3.88 2db3D1 PRO 311 HD3 0.10 0.56 -0.32 -0.04 3.65 3.95 2db3D1 HIS 312 H 0.23 0.27 0.29 -0.55 8.41 8.66 2db3D1 HIS 312 HA 0.07 0.10 0.75 -0.75 4.63 4.79 2db3D1 HIS 312 HB2 0.10 0.00 0.08 -0.04 3.26 3.40 2db3D1 HIS 312 HB3 0.08 0.00 0.04 -0.04 3.20 3.28 2db3D1 HIS 312 HD2 0.06 -0.01 0.02 -0.04 6.97 6.99 2db3D1 HIS 312 HE1 0.05 -0.03 -0.09 -0.04 7.75 7.64 2db3D1 GLU 313 H 0.09 0.13 0.12 -0.55 8.60 8.39 2db3D1 GLU 313 HA 0.15 0.10 0.77 -0.75 4.29 4.55 2db3D1 GLU 313 HB2 0.06 -0.01 0.10 -0.04 2.09 2.20 2db3D1 GLU 313 HB3 0.07 0.04 0.01 -0.04 1.99 2.06 2db3D1 GLU 313 HG2 0.03 -0.00 0.01 -0.04 2.34 2.34 2db3D1 GLU 313 HG3 0.03 -0.01 -0.00 -0.04 2.34 2.31 2db3D1 LEU 314 H 0.19 0.11 0.18 -0.55 8.37 8.30 2db3D1 LEU 314 HA 0.13 0.11 0.39 -0.75 4.35 4.22 2db3D1 LEU 314 HB2 0.17 -0.01 0.16 -0.04 1.64 1.92 2db3D1 LEU 314 HB3 0.01 -0.03 -0.03 -0.04 1.64 1.55 2db3D1 LEU 314 HG -0.17 0.00 -0.06 -0.04 1.64 1.37 2db3D1 LEU 314 HD13 -0.36 -0.04 -0.16 -0.04 0.93 0.33 2db3D1 LEU 314 HD23 -0.03 0.08 -0.22 -0.04 0.89 0.68 2db3D1 GLU 315 H 0.06 0.31 0.18 -0.55 8.60 8.61 2db3D1 GLU 315 HA 0.03 0.09 0.88 -0.75 4.29 4.53 2db3D1 GLU 315 HB2 0.05 0.08 0.09 -0.04 2.09 2.27 2db3D1 GLU 315 HB3 0.04 0.01 0.09 -0.04 1.99 2.09 2db3D1 GLU 315 HG2 0.02 0.02 0.00 -0.04 2.34 2.34 2db3D1 GLU 315 HG3 0.03 -0.01 0.02 -0.04 2.34 2.34 2db3D1 LEU 316 H 0.00 0.14 0.08 -0.55 8.37 8.04 2db3D1 LEU 316 HA -0.02 -0.04 0.38 -0.75 4.35 3.91 2db3D1 LEU 316 HB2 -0.02 0.10 0.14 -0.04 1.64 1.82 2db3D1 LEU 316 HB3 -0.01 -0.04 0.16 -0.04 1.64 1.72 2db3D1 LEU 316 HG -0.02 0.05 -0.21 -0.04 1.64 1.42 2db3D1 LEU 316 HD13 -0.03 0.02 0.06 -0.04 0.93 0.93 2db3D1 LEU 316 HD23 -0.01 -0.01 -0.07 -0.04 0.89 0.75 2db3D1 GLY 317 H -0.02 0.13 0.19 -0.55 8.43 8.18 2db3D1 GLY 317 HA2 -0.01 -0.01 0.41 -0.51 4.01 3.89 2db3D1 GLY 317 HA3 0.01 0.16 0.53 -0.51 4.01 4.20 2db3D1 ARG 318 H 0.00 0.31 -0.22 -0.55 8.46 8.00 2db3D1 ARG 318 HA -0.01 0.32 0.97 -0.75 4.34 4.87 2db3D1 ARG 318 HB2 0.05 -0.05 0.21 -0.04 1.90 2.06 2db3D1 ARG 318 HB3 0.05 -0.17 0.00 -0.04 1.80 1.64 2db3D1 ARG 318 HG2 0.01 -0.02 -0.69 -0.04 1.67 0.93 2db3D1 ARG 318 HG3 0.03 -0.09 -0.16 -0.04 1.67 1.41 2db3D1 ARG 318 HD2 0.02 -0.08 -0.14 -0.04 3.22 2.97 2db3D1 ARG 318 HD3 0.02 0.02 -0.14 -0.04 3.22 3.08 2db3D1 PRO 319 HA 0.06 0.18 0.45 -0.51 4.44 4.61 2db3D1 PRO 319 HB2 0.14 -0.01 -0.14 -0.04 2.28 2.22 2db3D1 PRO 319 HB3 0.06 0.01 -0.04 -0.04 2.02 2.01 2db3D1 PRO 319 HG2 0.02 -0.05 -0.08 -0.04 2.03 1.88 2db3D1 PRO 319 HG3 -0.01 -0.01 -0.11 -0.04 2.03 1.85 2db3D1 PRO 319 HD2 0.02 0.25 0.14 -0.04 3.68 4.05 2db3D1 PRO 319 HD3 -0.04 0.16 -0.22 -0.04 3.65 3.51 2db3D1 GLN 320 H 0.12 0.52 0.40 -0.55 8.47 8.97 2db3D1 GLN 320 HA 0.13 0.46 0.86 -0.75 4.36 5.05 2db3D1 GLN 320 HB2 0.15 -0.02 0.20 -0.04 2.15 2.44 2db3D1 GLN 320 HB3 0.13 -0.02 0.23 -0.04 2.02 2.32 2db3D1 GLN 320 HG2 0.13 0.17 0.00 -0.04 2.40 2.66 2db3D1 GLN 320 HG3 0.16 -0.03 0.06 -0.04 2.39 2.53 2db3D1 GLN 320 HE21 0.23 0.11 -0.35 -0.04 6.97 6.93 2db3D1 GLN 320 HE22 0.19 0.01 -0.24 -0.04 7.69 7.61 2db3D1 VAL 321 H 0.12 0.27 0.20 -0.55 8.24 8.29 2db3D1 VAL 321 HA 0.19 0.26 0.86 -0.75 4.13 4.69 2db3D1 VAL 321 HB 0.07 -0.13 0.09 -0.04 2.12 2.11 2db3D1 VAL 321 HG13 0.06 -0.02 -0.19 -0.04 0.97 0.78 2db3D1 VAL 321 HG23 0.08 0.01 -0.23 -0.04 0.95 0.76 2db3D1 VAL 322 H 0.06 0.79 0.35 -0.55 8.24 8.88 2db3D1 VAL 322 HA 0.05 0.22 1.00 -0.75 4.13 4.64 2db3D1 VAL 322 HB -0.09 0.01 0.14 -0.04 2.12 2.14 2db3D1 VAL 322 HG13 -0.01 -0.03 -0.20 -0.04 0.97 0.70 2db3D1 VAL 322 HG23 0.17 0.01 -0.23 -0.04 0.95 0.86 2db3D1 ILE 323 H 0.02 0.74 0.33 -0.55 8.25 8.79 2db3D1 ILE 323 HA -0.07 0.27 1.08 -0.75 4.18 4.71 2db3D1 ILE 323 HB 0.04 -0.05 0.13 -0.04 1.89 1.97 2db3D1 ILE 323 HG12 -0.03 0.04 -0.16 -0.04 1.49 1.30 2db3D1 ILE 323 HG13 0.04 -0.02 -0.39 -0.04 1.21 0.80 2db3D1 ILE 323 HG23 -0.02 -0.02 -0.14 -0.04 0.93 0.71 2db3D1 ILE 323 HD13 0.19 -0.00 -0.17 -0.04 0.88 0.86 2db3D1 VAL 324 H -0.10 0.69 0.38 -0.55 8.24 8.67 2db3D1 VAL 324 HA -0.07 0.34 1.13 -0.75 4.13 4.77 2db3D1 VAL 324 HB -0.14 -0.00 0.13 -0.04 2.12 2.07 2db3D1 VAL 324 HG13 -0.18 -0.02 -0.06 -0.04 0.97 0.67 2db3D1 VAL 324 HG23 -0.09 0.02 -0.18 -0.04 0.95 0.66 2db3D1 SER 325 H -0.11 0.55 0.42 -0.55 8.46 8.78 2db3D1 SER 325 HA -0.11 0.22 0.86 -0.75 4.49 4.71 2db3D1 SER 325 HB2 -0.03 0.07 -0.18 -0.04 3.95 3.77 2db3D1 SER 325 HB3 -0.05 0.06 -0.05 -0.04 3.93 3.85 2db3D1 PRO 326 HA -0.51 0.12 0.53 -0.51 4.44 4.06 2db3D1 PRO 326 HB2 0.09 -0.02 0.04 -0.04 2.28 2.35 2db3D1 PRO 326 HB3 -0.13 0.06 0.04 -0.04 2.02 1.95 2db3D1 PRO 326 HG2 -0.04 0.00 -0.01 -0.04 2.03 1.94 2db3D1 PRO 326 HG3 -0.08 -0.00 0.04 -0.04 2.03 1.95 2db3D1 PRO 326 HD2 -0.07 0.06 0.13 -0.04 3.68 3.76 2db3D1 PRO 326 HD3 -0.13 0.34 0.10 -0.04 3.65 3.92 2db3D1 THR 327 H -0.05 0.16 -0.34 -0.55 8.28 7.50 2db3D1 THR 327 HA 0.04 0.16 0.86 -0.75 4.39 4.70 2db3D1 THR 327 HB 0.00 0.01 -0.11 -0.04 4.32 4.18 2db3D1 THR 327 HG23 -0.02 -0.05 -0.11 -0.04 1.22 1.00 2db3D1 ARG 328 H -0.01 0.19 0.15 -0.55 8.46 8.23 2db3D1 ARG 328 HA -0.16 0.13 0.41 -0.75 4.34 3.96 2db3D1 ARG 328 HB2 -0.09 -0.02 0.11 -0.04 1.90 1.86 2db3D1 ARG 328 HB3 -0.44 0.13 -0.02 -0.04 1.80 1.42 2db3D1 ARG 328 HG2 0.13 -0.06 0.05 -0.04 1.67 1.75 2db3D1 ARG 328 HG3 0.06 -0.05 0.10 -0.04 1.67 1.73 2db3D1 ARG 328 HD2 0.09 -0.01 -0.00 -0.04 3.22 3.26 2db3D1 ARG 328 HD3 0.32 0.27 -0.06 -0.04 3.22 3.71 2db3D1 GLU 329 H -0.09 0.12 -0.05 -0.55 8.60 8.04 2db3D1 GLU 329 HA -0.15 0.15 0.38 -0.75 4.29 3.92 2db3D1 GLU 329 HB2 -0.04 0.02 -0.02 -0.04 2.09 2.01 2db3D1 GLU 329 HB3 -0.04 0.10 -0.00 -0.04 1.99 2.01 2db3D1 GLU 329 HG2 -0.04 0.11 -0.10 -0.04 2.34 2.28 2db3D1 GLU 329 HG3 -0.06 0.06 -0.08 -0.04 2.34 2.21 2db3D1 LEU 330 H -0.05 0.05 -0.53 -0.55 8.37 7.28 2db3D1 LEU 330 HA -0.01 0.15 0.47 -0.75 4.35 4.21 2db3D1 LEU 330 HB2 -0.00 0.09 -0.02 -0.04 1.64 1.67 2db3D1 LEU 330 HB3 -0.02 -0.02 -0.01 -0.04 1.64 1.54 2db3D1 LEU 330 HG 0.01 0.03 -0.25 -0.04 1.64 1.38 2db3D1 LEU 330 HD13 0.03 -0.01 -0.09 -0.04 0.93 0.81 2db3D1 LEU 330 HD23 0.00 0.02 -0.18 -0.04 0.89 0.69 2db3D1 ALA 331 H -0.08 0.30 -0.26 -0.55 8.40 7.82 2db3D1 ALA 331 HA 0.00 0.04 0.30 -0.75 4.34 3.93 2db3D1 ALA 331 HB3 -0.08 0.05 -0.04 -0.04 1.41 1.30 2db3D1 ILE 332 H -0.16 0.45 -0.19 -0.55 8.25 7.80 2db3D1 ILE 332 HA 0.02 0.07 0.26 -0.75 4.18 3.78 2db3D1 ILE 332 HB -0.08 0.06 0.06 -0.04 1.89 1.90 2db3D1 ILE 332 HG12 -0.18 0.04 -0.06 -0.04 1.49 1.24 2db3D1 ILE 332 HG13 -0.54 0.07 -0.00 -0.04 1.21 0.70 2db3D1 ILE 332 HG23 0.06 0.01 -0.13 -0.04 0.93 0.84 2db3D1 ILE 332 HD13 -0.29 -0.03 -0.12 -0.04 0.88 0.40 2db3D1 GLN 333 H -0.00 0.29 -0.44 -0.55 8.47 7.77 2db3D1 GLN 333 HA 0.02 0.07 0.36 -0.75 4.36 4.05 2db3D1 GLN 333 HB2 0.01 0.03 0.10 -0.04 2.15 2.24 2db3D1 GLN 333 HB3 0.01 0.06 0.15 -0.04 2.02 2.20 2db3D1 GLN 333 HG2 0.01 -0.02 -0.31 -0.04 2.40 2.04 2db3D1 GLN 333 HG3 -0.00 0.02 -0.00 -0.04 2.39 2.37 2db3D1 GLN 333 HE21 0.03 0.48 0.06 -0.04 6.97 7.51 2db3D1 GLN 333 HE22 0.02 -0.09 -0.06 -0.04 7.69 7.52 2db3D1 ILE 334 H 0.05 0.59 -0.09 -0.55 8.25 8.24 2db3D1 ILE 334 HA 0.02 -0.03 0.40 -0.75 4.18 3.83 2db3D1 ILE 334 HB 0.09 0.10 0.05 -0.04 1.89 2.10 2db3D1 ILE 334 HG12 0.09 -0.09 -0.02 -0.04 1.49 1.44 2db3D1 ILE 334 HG13 0.05 0.19 0.06 -0.04 1.21 1.47 2db3D1 ILE 334 HG23 0.15 -0.01 -0.12 -0.04 0.93 0.91 2db3D1 ILE 334 HD13 0.10 -0.03 -0.12 -0.04 0.88 0.78 2db3D1 PHE 335 H 0.19 0.56 -0.33 -0.55 8.34 8.20 2db3D1 PHE 335 HA -0.01 0.01 0.33 -0.75 4.62 4.20 2db3D1 PHE 335 HB2 0.00 -0.04 0.02 -0.04 3.15 3.09 2db3D1 PHE 335 HB3 -0.01 0.21 0.15 -0.04 3.06 3.37 2db3D1 PHE 335 HD2 -0.01 0.07 -0.17 -0.04 7.28 7.14 2db3D1 PHE 335 HE2 -0.01 0.15 -0.21 -0.04 7.38 7.27 2db3D1 PHE 335 HZ -0.01 0.04 -0.03 -0.04 7.32 7.28 2db3D1 ASN 336 H 0.03 0.43 -0.23 -0.55 8.53 8.21 2db3D1 ASN 336 HA -0.41 0.08 0.58 -0.75 4.76 4.25 2db3D1 ASN 336 HB2 -0.05 0.05 0.12 -0.04 2.88 2.95 2db3D1 ASN 336 HB3 -0.15 0.02 0.03 -0.04 2.79 2.65 2db3D1 ASN 336 HD21 0.08 -0.02 -0.03 -0.04 7.03 7.01 2db3D1 ASN 336 HD22 -0.20 0.02 0.01 -0.04 7.74 7.53 2db3D1 GLU 337 H -0.12 0.41 -0.13 -0.55 8.60 8.22 2db3D1 GLU 337 HA -0.37 0.13 0.49 -0.75 4.29 3.78 2db3D1 GLU 337 HB2 -0.06 0.05 0.09 -0.04 2.09 2.13 2db3D1 GLU 337 HB3 -0.09 -0.07 -0.02 -0.04 1.99 1.77 2db3D1 GLU 337 HG2 -0.08 0.20 0.01 -0.04 2.34 2.43 2db3D1 GLU 337 HG3 -0.03 -0.14 -0.04 -0.04 2.34 2.08 2db3D1 ALA 338 H -0.14 0.48 -0.32 -0.55 8.40 7.87 2db3D1 ALA 338 HA 0.01 -0.01 0.35 -0.75 4.34 3.95 2db3D1 ALA 338 HB3 -0.07 0.06 0.02 -0.04 1.41 1.38 2db3D1 ARG 339 H -0.36 0.46 -0.10 -0.55 8.46 7.91 2db3D1 ARG 339 HA -0.17 0.03 0.25 -0.75 4.34 3.70 2db3D1 ARG 339 HB2 -0.34 0.11 0.01 -0.04 1.90 1.63 2db3D1 ARG 339 HB3 -0.22 -0.02 0.03 -0.04 1.80 1.55 2db3D1 ARG 339 HG2 -0.52 -0.05 0.04 -0.04 1.67 1.09 2db3D1 ARG 339 HG3 -0.88 0.41 0.16 -0.04 1.67 1.32 2db3D1 ARG 339 HD2 -1.21 -0.05 -0.08 -0.04 3.22 1.84 2db3D1 ARG 339 HD3 -0.35 -0.01 -0.03 -0.04 3.22 2.79 2db3D1 LYS 340 H -0.38 0.16 -0.89 -0.55 8.42 6.76 2db3D1 LYS 340 HA -0.65 0.07 0.50 -0.75 4.32 3.48 2db3D1 LYS 340 HB2 -0.64 0.16 0.15 -0.04 1.87 1.49 2db3D1 LYS 340 HB3 -0.83 0.09 0.19 -0.04 1.79 1.20 2db3D1 LYS 340 HG2 -0.93 -0.06 -0.26 -0.04 1.46 0.17 2db3D1 LYS 340 HG3 -1.56 0.01 -0.02 -0.04 1.46 -0.15 2db3D1 LYS 340 HD2 -0.50 0.04 -0.02 -0.04 1.69 1.17 2db3D1 LYS 340 HD3 -0.56 0.03 0.01 -0.04 1.68 1.11 2db3D1 LYS 340 HE2 -0.94 -0.06 0.01 -0.04 2.99 1.97 2db3D1 LYS 340 HE3 -1.28 -0.03 -0.07 -0.04 2.99 1.57 2db3D1 PHE 341 H -0.33 0.51 0.02 -0.55 8.34 7.99 2db3D1 PHE 341 HA -0.11 0.06 0.45 -0.75 4.62 4.27 2db3D1 PHE 341 HB2 -0.13 0.05 0.05 -0.04 3.15 3.07 2db3D1 PHE 341 HB3 -0.11 -0.08 0.03 -0.04 3.06 2.86 2db3D1 PHE 341 HD2 -0.18 0.01 -0.15 -0.04 7.28 6.93 2db3D1 PHE 341 HE2 -0.35 -0.06 -0.10 -0.04 7.38 6.82 2db3D1 PHE 341 HZ 0.04 -0.06 -0.05 -0.04 7.32 7.21 2db3D1 ALA 342 H -0.03 0.42 -0.50 -0.55 8.40 7.74 2db3D1 ALA 342 HA 0.00 0.10 0.70 -0.75 4.34 4.39 2db3D1 ALA 342 HB3 -0.04 -0.03 -0.04 -0.04 1.41 1.25 2db3D1 PHE 343 H 0.14 0.30 -0.56 -0.55 8.34 7.67 2db3D1 PHE 343 HA -0.04 -0.00 0.44 -0.75 4.62 4.26 2db3D1 PHE 343 HB2 -0.09 0.17 0.19 -0.04 3.15 3.38 2db3D1 PHE 343 HB3 0.12 -0.00 0.11 -0.04 3.06 3.25 2db3D1 PHE 343 HD2 0.10 0.02 -0.00 -0.04 7.28 7.36 2db3D1 PHE 343 HE2 0.03 0.03 0.01 -0.04 7.38 7.41 2db3D1 PHE 343 HZ 0.04 -0.11 0.04 -0.04 7.32 7.25 2db3D1 GLU 344 H -0.30 0.13 0.23 -0.55 8.60 8.12 2db3D1 GLU 344 HA -0.31 0.00 0.37 -0.75 4.29 3.60 2db3D1 GLU 344 HB2 -0.59 0.21 -0.20 -0.04 2.09 1.47 2db3D1 GLU 344 HB3 -0.29 -0.05 0.26 -0.04 1.99 1.87 2db3D1 GLU 344 HG2 -0.46 -0.01 0.07 -0.04 2.34 1.90 2db3D1 GLU 344 HG3 -1.81 -0.02 -0.05 -0.04 2.34 0.42 2db3D1 SER 345 H -0.07 0.35 0.00 -0.55 8.46 8.19 2db3D1 SER 345 HA 0.00 0.11 0.73 -0.75 4.49 4.58 2db3D1 SER 345 HB2 -0.12 -0.09 0.09 -0.04 3.95 3.79 2db3D1 SER 345 HB3 -0.06 0.08 -0.21 -0.04 3.93 3.71 2db3D1 TYR 346 H 0.08 0.14 0.11 -0.55 8.29 8.07 2db3D1 TYR 346 HA 0.02 0.20 0.68 -0.75 4.56 4.70 2db3D1 TYR 346 HB2 0.05 0.01 0.15 -0.04 3.06 3.23 2db3D1 TYR 346 HB3 0.01 -0.01 0.06 -0.04 2.98 3.00 2db3D1 TYR 346 HD2 0.04 -0.04 0.01 -0.04 7.15 7.12 2db3D1 TYR 346 HE2 -0.04 0.02 0.02 -0.04 6.85 6.81 2db3D1 LEU 347 H -0.22 -0.01 -0.38 -0.55 8.37 7.22 2db3D1 LEU 347 HA 0.11 0.03 0.46 -0.75 4.35 4.20 2db3D1 LEU 347 HB2 -0.11 0.04 0.02 -0.04 1.64 1.54 2db3D1 LEU 347 HB3 -0.04 -0.02 -0.10 -0.04 1.64 1.44 2db3D1 LEU 347 HG -0.58 -0.11 -0.03 -0.04 1.64 0.89 2db3D1 LEU 347 HD13 -0.19 0.03 -0.04 -0.04 0.93 0.69 2db3D1 LEU 347 HD23 -0.70 0.02 -0.07 -0.04 0.89 0.11 2db3D1 LYS 348 H 0.54 0.06 0.21 -0.55 8.42 8.68 2db3D1 LYS 348 HA 0.04 0.19 0.84 -0.75 4.32 4.63 2db3D1 LYS 348 HB2 -0.20 -0.25 0.12 -0.04 1.87 1.49 2db3D1 LYS 348 HB3 -0.04 0.21 0.05 -0.04 1.79 1.97 2db3D1 LYS 348 HG2 0.03 0.01 -0.10 -0.04 1.46 1.36 2db3D1 LYS 348 HG3 0.05 0.05 -0.03 -0.04 1.46 1.49 2db3D1 LYS 348 HD2 -0.07 -0.12 -0.06 -0.04 1.69 1.40 2db3D1 LYS 348 HD3 -0.04 0.29 -0.06 -0.04 1.68 1.83 2db3D1 LYS 348 HE2 0.01 0.05 0.06 -0.04 2.99 3.07 2db3D1 LYS 348 HE3 0.02 -0.07 0.01 -0.04 2.99 2.91 2db3D1 ILE 349 H 0.03 0.26 0.13 -0.55 8.25 8.12 2db3D1 ILE 349 HA 0.07 0.07 0.94 -0.75 4.18 4.50 2db3D1 ILE 349 HB -0.11 0.01 0.09 -0.04 1.89 1.84 2db3D1 ILE 349 HG12 -0.03 0.08 -0.17 -0.04 1.49 1.33 2db3D1 ILE 349 HG13 -0.11 -0.02 -0.30 -0.04 1.21 0.74 2db3D1 ILE 349 HG23 0.04 0.01 -0.09 -0.04 0.93 0.85 2db3D1 ILE 349 HD13 0.00 -0.01 -0.28 -0.04 0.88 0.55 2db3D1 GLY 350 H 0.09 0.88 0.38 -0.55 8.43 9.23 2db3D1 GLY 350 HA2 0.11 0.20 0.86 -0.51 4.01 4.67 2db3D1 GLY 350 HA3 -0.01 0.02 0.29 -0.51 4.01 3.81 2db3D1 ILE 351 H -0.20 0.31 0.19 -0.55 8.25 8.00 2db3D1 ILE 351 HA -0.08 0.22 0.76 -0.75 4.18 4.33 2db3D1 ILE 351 HB -0.56 0.09 -0.17 -0.04 1.89 1.21 2db3D1 ILE 351 HG12 0.09 -0.09 -0.32 -0.04 1.49 1.12 2db3D1 ILE 351 HG13 -0.03 0.09 -0.07 -0.04 1.21 1.16 2db3D1 ILE 351 HG23 -0.71 -0.01 -0.10 -0.04 0.93 0.07 2db3D1 ILE 351 HD13 -0.11 -0.01 -0.28 -0.04 0.88 0.44 2db3D1 VAL 352 H -0.07 0.62 0.32 -0.55 8.24 8.56 2db3D1 VAL 352 HA -0.26 0.15 0.83 -0.75 4.13 4.10 2db3D1 VAL 352 HB -0.57 0.13 -0.13 -0.04 2.12 1.51 2db3D1 VAL 352 HG13 -0.19 -0.01 -0.06 -0.04 0.97 0.67 2db3D1 VAL 352 HG23 -0.27 -0.03 -0.27 -0.04 0.95 0.34 2db3D1 TYR 353 H -0.27 0.35 0.15 -0.55 8.29 7.97 2db3D1 TYR 353 HA 0.01 -0.06 0.57 -0.75 4.56 4.33 2db3D1 TYR 353 HB2 0.01 -0.13 0.12 -0.04 3.06 3.02 2db3D1 TYR 353 HB3 -0.04 0.13 -0.15 -0.04 2.98 2.88 2db3D1 TYR 353 HD2 -0.04 0.08 -0.28 -0.04 7.15 6.86 2db3D1 TYR 353 HE2 -0.04 0.05 -0.13 -0.04 6.85 6.69 2db3D1 GLY 354 H 0.20 0.02 0.15 -0.55 8.43 8.26 2db3D1 GLY 354 HA2 0.10 0.09 0.40 -0.51 4.01 4.10 2db3D1 GLY 354 HA3 0.14 0.01 0.39 -0.51 4.01 4.04 2db3D1 GLY 355 H 0.10 0.15 0.20 -0.55 8.43 8.33 2db3D1 GLY 355 HA2 0.11 0.02 0.40 -0.51 4.01 4.03 2db3D1 GLY 355 HA3 0.16 -0.00 0.50 -0.51 4.01 4.16 2db3D1 THR 356 H 0.02 0.04 -0.22 -0.55 8.28 7.57 2db3D1 THR 356 HA 0.02 0.40 0.97 -0.75 4.39 5.03 2db3D1 THR 356 HB -0.26 -0.10 0.14 -0.04 4.32 4.06 2db3D1 THR 356 HG23 -0.44 0.05 -0.20 -0.04 1.22 0.58 2db3D1 SER 357 H -0.10 0.02 0.18 -0.55 8.46 8.02 2db3D1 SER 357 HA 0.06 0.09 0.58 -0.75 4.49 4.47 2db3D1 SER 357 HB2 -0.00 0.16 0.06 -0.04 3.95 4.13 2db3D1 SER 357 HB3 0.02 0.01 0.20 -0.04 3.93 4.11 2db3D1 PHE 358 H 0.19 0.23 0.25 -0.55 8.34 8.46 2db3D1 PHE 358 HA 0.06 0.08 0.37 -0.75 4.62 4.38 2db3D1 PHE 358 HB2 -0.04 0.04 0.16 -0.04 3.15 3.27 2db3D1 PHE 358 HB3 -0.03 -0.04 0.15 -0.04 3.06 3.09 2db3D1 PHE 358 HD2 -0.09 -0.03 -0.18 -0.04 7.28 6.94 2db3D1 PHE 358 HE2 -0.40 0.02 -0.08 -0.04 7.38 6.88 2db3D1 PHE 358 HZ -1.26 0.05 -0.07 -0.04 7.32 6.00 2db3D1 ARG 359 H 0.23 0.10 -0.06 -0.55 8.46 8.17 2db3D1 ARG 359 HA 0.19 0.11 0.37 -0.75 4.34 4.25 2db3D1 ARG 359 HB2 0.10 -0.06 0.07 -0.04 1.90 1.96 2db3D1 ARG 359 HB3 0.08 0.09 -0.03 -0.04 1.80 1.90 2db3D1 ARG 359 HG2 0.14 -0.06 0.06 -0.04 1.67 1.77 2db3D1 ARG 359 HG3 0.07 0.05 0.03 -0.04 1.67 1.78 2db3D1 ARG 359 HD2 0.18 -0.00 0.01 -0.04 3.22 3.36 2db3D1 ARG 359 HD3 0.07 0.05 0.01 -0.04 3.22 3.30 2db3D1 HIS 360 H 0.12 0.01 -0.42 -0.55 8.41 7.58 2db3D1 HIS 360 HA -0.04 0.08 0.39 -0.75 4.63 4.31 2db3D1 HIS 360 HB2 -0.06 -0.03 0.09 -0.04 3.26 3.23 2db3D1 HIS 360 HB3 -0.10 0.08 0.16 -0.04 3.20 3.30 2db3D1 HIS 360 HD2 -0.19 -0.05 -0.04 -0.04 6.97 6.64 2db3D1 HIS 360 HE1 -0.05 0.03 -0.00 -0.04 7.75 7.68 2db3D1 GLN 361 H -0.09 0.45 -0.07 -0.55 8.47 8.22 2db3D1 GLN 361 HA -0.36 0.08 0.51 -0.75 4.36 3.83 2db3D1 GLN 361 HB2 -0.11 0.06 0.15 -0.04 2.15 2.20 2db3D1 GLN 361 HB3 -0.29 0.01 0.11 -0.04 2.02 1.82 2db3D1 GLN 361 HG2 -0.25 0.02 0.05 -0.04 2.40 2.19 2db3D1 GLN 361 HG3 -0.15 0.12 -0.00 -0.04 2.39 2.32 2db3D1 GLN 361 HE21 -0.13 -0.19 0.06 -0.04 6.97 6.66 2db3D1 GLN 361 HE22 -0.04 0.03 -0.04 -0.04 7.69 7.60 2db3D1 ASN 362 H -0.10 0.48 -0.17 -0.55 8.53 8.19 2db3D1 ASN 362 HA 0.15 0.05 0.41 -0.75 4.76 4.62 2db3D1 ASN 362 HB2 -0.02 -0.02 0.06 -0.04 2.88 2.85 2db3D1 ASN 362 HB3 0.04 0.08 0.12 -0.04 2.79 2.98 2db3D1 ASN 362 HD21 0.05 0.08 -0.01 -0.04 7.03 7.11 2db3D1 ASN 362 HD22 0.25 -0.03 0.08 -0.04 7.74 8.00 2db3D1 GLU 363 H -0.08 0.42 -0.12 -0.55 8.60 8.28 2db3D1 GLU 363 HA -0.05 0.05 0.43 -0.75 4.29 3.96 2db3D1 GLU 363 HB2 -0.04 -0.02 0.09 -0.04 2.09 2.09 2db3D1 GLU 363 HB3 -0.03 0.04 0.14 -0.04 1.99 2.09 2db3D1 GLU 363 HG2 -0.01 -0.08 0.02 -0.04 2.34 2.23 2db3D1 GLU 363 HG3 -0.17 0.20 0.03 -0.04 2.34 2.37 2db3D1 CYS 364 H -0.23 0.30 -0.32 -0.55 8.50 7.71 2db3D1 CYS 364 HA -0.12 0.07 0.51 -0.75 4.58 4.29 2db3D1 CYS 364 HB2 -0.27 0.09 0.18 -0.04 2.97 2.94 2db3D1 CYS 364 HB3 -0.16 -0.00 0.06 -0.04 2.97 2.83 2db3D1 ILE 365 H -0.14 0.41 -0.16 -0.55 8.25 7.80 2db3D1 ILE 365 HA -0.10 0.11 0.41 -0.75 4.18 3.85 2db3D1 ILE 365 HB -0.15 0.12 0.14 -0.04 1.89 1.96 2db3D1 ILE 365 HG12 -0.15 -0.02 -0.06 -0.04 1.49 1.22 2db3D1 ILE 365 HG13 -0.21 -0.01 -0.04 -0.04 1.21 0.91 2db3D1 ILE 365 HG23 -0.08 -0.01 -0.12 -0.04 0.93 0.68 2db3D1 ILE 365 HD13 -0.45 -0.02 -0.13 -0.04 0.88 0.24 2db3D1 THR 366 H -0.07 0.28 -0.39 -0.55 8.28 7.55 2db3D1 THR 366 HA -0.04 0.04 0.50 -0.75 4.39 4.14 2db3D1 THR 366 HB -0.04 0.12 0.06 -0.04 4.32 4.41 2db3D1 THR 366 HG23 -0.04 -0.02 0.03 -0.04 1.22 1.15 2db3D1 ARG 367 H -0.05 0.31 -0.43 -0.55 8.46 7.73 2db3D1 ARG 367 HA -0.03 -0.02 0.45 -0.75 4.34 3.98 2db3D1 ARG 367 HB2 -0.03 0.22 0.04 -0.04 1.90 2.09 2db3D1 ARG 367 HB3 -0.02 -0.09 0.16 -0.04 1.80 1.82 2db3D1 ARG 367 HG2 -0.03 -0.11 0.07 -0.04 1.67 1.57 2db3D1 ARG 367 HG3 -0.05 0.25 0.23 -0.04 1.67 2.07 2db3D1 ARG 367 HD2 -0.03 0.09 0.11 -0.04 3.22 3.36 2db3D1 ARG 367 HD3 -0.01 -0.07 0.06 -0.04 3.22 3.16 2db3D1 GLY 368 H -0.05 -0.05 -1.34 -0.55 8.43 6.45 2db3D1 GLY 368 HA2 -0.06 -0.06 0.27 -0.51 4.01 3.65 2db3D1 GLY 368 HA3 -0.07 0.06 0.37 -0.51 4.01 3.86 2db3D1 CYS 369 H -0.12 0.19 0.03 -0.55 8.50 8.06 2db3D1 CYS 369 HA -0.20 0.03 0.47 -0.75 4.58 4.13 2db3D1 CYS 369 HB2 -0.02 0.04 -0.12 -0.04 2.97 2.82 2db3D1 CYS 369 HB3 -0.05 0.20 -0.36 -0.04 2.97 2.71 2db3D1 HIS 370 H -0.15 0.38 0.35 -0.55 8.41 8.44 2db3D1 HIS 370 HA 0.04 0.11 0.67 -0.75 4.63 4.69 2db3D1 HIS 370 HB2 -0.02 0.00 0.12 -0.04 3.26 3.32 2db3D1 HIS 370 HB3 -0.00 0.05 0.09 -0.04 3.20 3.30 2db3D1 HIS 370 HD2 0.06 0.06 0.04 -0.04 6.97 7.08 2db3D1 HIS 370 HE1 0.10 0.28 0.04 -0.04 7.75 8.12 2db3D1 VAL 371 H 0.08 0.38 0.21 -0.55 8.24 8.36 2db3D1 VAL 371 HA 0.07 0.27 1.08 -0.75 4.13 4.79 2db3D1 VAL 371 HB 0.06 -0.06 0.04 -0.04 2.12 2.12 2db3D1 VAL 371 HG13 0.06 -0.01 -0.22 -0.04 0.97 0.76 2db3D1 VAL 371 HG23 0.04 0.01 -0.20 -0.04 0.95 0.76 2db3D1 VAL 372 H 0.06 0.64 0.23 -0.55 8.24 8.62 2db3D1 VAL 372 HA 0.02 0.16 0.82 -0.75 4.13 4.38 2db3D1 VAL 372 HB 0.03 0.04 0.12 -0.04 2.12 2.27 2db3D1 VAL 372 HG13 -0.07 -0.03 -0.31 -0.04 0.97 0.51 2db3D1 VAL 372 HG23 -0.03 0.01 -0.26 -0.04 0.95 0.63 2db3D1 ILE 373 H 0.05 0.52 0.16 -0.55 8.25 8.42 2db3D1 ILE 373 HA 0.04 0.20 0.86 -0.75 4.18 4.53 2db3D1 ILE 373 HB 0.10 -0.05 0.15 -0.04 1.89 2.04 2db3D1 ILE 373 HG12 0.20 0.23 -0.02 -0.04 1.49 1.86 2db3D1 ILE 373 HG13 0.20 -0.04 -0.15 -0.04 1.21 1.18 2db3D1 ILE 373 HG23 0.07 0.00 -0.04 -0.04 0.93 0.92 2db3D1 ILE 373 HD13 0.10 -0.01 -0.26 -0.04 0.88 0.67 2db3D1 ALA 374 H -0.01 0.77 0.41 -0.55 8.40 9.02 2db3D1 ALA 374 HA 0.01 0.20 0.86 -0.75 4.34 4.66 2db3D1 ALA 374 HB3 -0.02 0.01 -0.16 -0.04 1.41 1.19 2db3D1 THR 375 H 0.04 0.33 0.31 -0.55 8.28 8.41 2db3D1 THR 375 HA -0.06 0.38 0.89 -0.75 4.39 4.84 2db3D1 THR 375 HB 0.06 0.02 0.04 -0.04 4.32 4.40 2db3D1 THR 375 HG23 0.01 0.02 -0.21 -0.04 1.22 1.00 2db3D1 PRO 376 HA 0.01 0.13 0.31 -0.51 4.44 4.38 2db3D1 PRO 376 HB2 0.21 -0.09 0.12 -0.04 2.28 2.48 2db3D1 PRO 376 HB3 0.08 0.09 0.01 -0.04 2.02 2.16 2db3D1 PRO 376 HG2 -0.71 0.05 0.07 -0.04 2.03 1.40 2db3D1 PRO 376 HG3 -0.26 0.11 0.04 -0.04 2.03 1.88 2db3D1 PRO 376 HD2 -0.09 0.03 0.18 -0.04 3.68 3.76 2db3D1 PRO 376 HD3 -0.26 0.35 0.28 -0.04 3.65 3.97 2db3D1 GLY 377 H 0.15 0.10 -0.10 -0.55 8.43 8.03 2db3D1 GLY 377 HA2 0.10 0.10 0.33 -0.51 4.01 4.03 2db3D1 GLY 377 HA3 0.11 -0.01 0.31 -0.51 4.01 3.92 2db3D1 ARG 378 H 0.12 0.06 -0.07 -0.55 8.46 8.02 2db3D1 ARG 378 HA 0.19 0.09 0.46 -0.75 4.34 4.33 2db3D1 ARG 378 HB2 0.15 -0.14 -0.08 -0.04 1.90 1.79 2db3D1 ARG 378 HB3 0.12 0.10 -0.19 -0.04 1.80 1.78 2db3D1 ARG 378 HG2 0.16 0.00 -0.19 -0.04 1.67 1.60 2db3D1 ARG 378 HG3 0.53 0.04 -0.07 -0.04 1.67 2.13 2db3D1 ARG 378 HD2 0.42 0.03 0.00 -0.04 3.22 3.62 2db3D1 ARG 378 HD3 0.20 -0.10 -0.08 -0.04 3.22 3.21 2db3D1 LEU 379 H 0.09 0.40 -0.23 -0.55 8.37 8.08 2db3D1 LEU 379 HA 0.06 0.06 0.37 -0.75 4.35 4.09 2db3D1 LEU 379 HB2 0.03 -0.03 -0.06 -0.04 1.64 1.54 2db3D1 LEU 379 HB3 0.07 0.10 0.03 -0.04 1.64 1.80 2db3D1 LEU 379 HG 0.14 0.02 -0.28 -0.04 1.64 1.49 2db3D1 LEU 379 HD13 0.04 0.00 -0.11 -0.04 0.93 0.82 2db3D1 LEU 379 HD23 0.10 0.01 -0.18 -0.04 0.89 0.78 2db3D1 LEU 380 H 0.09 0.55 -0.07 -0.55 8.37 8.40 2db3D1 LEU 380 HA 0.05 0.08 0.35 -0.75 4.35 4.09 2db3D1 LEU 380 HB2 0.07 0.11 0.10 -0.04 1.64 1.89 2db3D1 LEU 380 HB3 0.05 -0.02 -0.07 -0.04 1.64 1.56 2db3D1 LEU 380 HG 0.07 0.02 -0.02 -0.04 1.64 1.67 2db3D1 LEU 380 HD13 0.08 0.02 -0.10 -0.04 0.93 0.88 2db3D1 LEU 380 HD23 0.07 0.01 -0.03 -0.04 0.89 0.89 2db3D1 ASP 381 H 0.12 0.25 -0.39 -0.55 8.40 7.83 2db3D1 ASP 381 HA -0.04 0.05 0.45 -0.75 4.63 4.34 2db3D1 ASP 381 HB2 0.08 0.02 0.13 -0.04 2.71 2.89 2db3D1 ASP 381 HB3 0.22 0.13 0.18 -0.04 2.70 3.19 2db3D1 PHE 382 H 0.38 0.54 -0.06 -0.55 8.34 8.65 2db3D1 PHE 382 HA 0.06 -0.01 0.37 -0.75 4.62 4.30 2db3D1 PHE 382 HB2 0.00 0.18 0.20 -0.04 3.15 3.49 2db3D1 PHE 382 HB3 0.01 -0.00 -0.07 -0.04 3.06 2.95 2db3D1 PHE 382 HD2 0.08 0.22 -0.01 -0.04 7.28 7.54 2db3D1 PHE 382 HE2 -0.33 -0.05 -0.06 -0.04 7.38 6.89 2db3D1 PHE 382 HZ -0.89 -0.02 -0.09 -0.04 7.32 6.28 2db3D1 VAL 383 H 0.07 0.47 -0.24 -0.55 8.24 7.99 2db3D1 VAL 383 HA -0.11 0.24 0.66 -0.75 4.13 4.17 2db3D1 VAL 383 HB -0.04 -0.05 0.12 -0.04 2.12 2.11 2db3D1 VAL 383 HG13 -0.31 0.01 -0.09 -0.04 0.97 0.53 2db3D1 VAL 383 HG23 -0.25 0.06 -0.08 -0.04 0.95 0.65 2db3D1 ASP 384 H -0.05 0.65 -0.07 -0.55 8.40 8.39 2db3D1 ASP 384 HA -0.01 0.08 0.58 -0.75 4.63 4.53 2db3D1 ASP 384 HB2 -0.07 0.05 0.20 -0.04 2.71 2.85 2db3D1 ASP 384 HB3 -0.06 -0.07 0.10 -0.04 2.70 2.63 2db3D1 ARG 385 H -0.27 0.27 -0.37 -0.55 8.46 7.54 2db3D1 ARG 385 HA -0.39 0.04 0.56 -0.75 4.34 3.80 2db3D1 ARG 385 HB2 -1.18 0.04 0.12 -0.04 1.90 0.84 2db3D1 ARG 385 HB3 -2.83 -0.04 0.03 -0.04 1.80 -1.08 2db3D1 ARG 385 HG2 -0.53 0.16 -0.00 -0.04 1.67 1.25 2db3D1 ARG 385 HG3 -0.96 -0.13 -0.08 -0.04 1.67 0.46 2db3D1 ARG 385 HD2 -0.61 -0.04 -0.00 -0.04 3.22 2.53 2db3D1 ARG 385 HD3 -0.45 0.07 0.03 -0.04 3.22 2.83 2db3D1 THR 386 H -0.13 0.08 -0.55 -0.55 8.28 7.14 2db3D1 THR 386 HA 0.02 0.16 0.31 -0.75 4.39 4.13 2db3D1 THR 386 HB 0.13 0.17 0.30 -0.04 4.32 4.88 2db3D1 THR 386 HG23 0.08 -0.03 0.09 -0.04 1.22 1.32 2db3D1 PHE 387 H 0.09 0.52 0.11 -0.55 8.34 8.51 2db3D1 PHE 387 HA 0.04 0.14 0.61 -0.75 4.62 4.66 2db3D1 PHE 387 HB2 0.25 -0.03 0.07 -0.04 3.15 3.40 2db3D1 PHE 387 HB3 0.18 -0.04 0.04 -0.04 3.06 3.20 2db3D1 PHE 387 HD2 0.08 0.00 -0.43 -0.04 7.28 6.89 2db3D1 PHE 387 HE2 0.01 0.01 -0.04 -0.04 7.38 7.31 2db3D1 PHE 387 HZ -0.06 -0.05 -0.02 -0.04 7.32 7.15 2db3D1 ILE 388 H 0.10 0.24 -0.05 -0.55 8.25 7.99 2db3D1 ILE 388 HA -0.02 0.34 0.91 -0.75 4.18 4.65 2db3D1 ILE 388 HB -0.02 -0.14 -0.13 -0.04 1.89 1.56 2db3D1 ILE 388 HG12 -0.05 0.11 -0.03 -0.04 1.49 1.47 2db3D1 ILE 388 HG13 0.13 -0.09 -0.30 -0.04 1.21 0.91 2db3D1 ILE 388 HG23 -0.31 0.00 -0.26 -0.04 0.93 0.32 2db3D1 ILE 388 HD13 -0.26 -0.03 -0.11 -0.04 0.88 0.44 2db3D1 THR 389 H -0.14 0.92 0.38 -0.55 8.28 8.89 2db3D1 THR 389 HA -0.39 0.09 0.86 -0.75 4.39 4.21 2db3D1 THR 389 HB -0.04 0.10 -0.13 -0.04 4.32 4.22 2db3D1 THR 389 HG23 0.01 -0.07 -0.13 -0.04 1.22 0.99 2db3D1 PHE 390 H -0.04 0.08 0.03 -0.55 8.34 7.86 2db3D1 PHE 390 HA 0.01 0.30 0.96 -0.75 4.62 5.14 2db3D1 PHE 390 HB2 0.06 -0.04 -0.37 -0.04 3.15 2.75 2db3D1 PHE 390 HB3 -0.01 0.01 0.06 -0.04 3.06 3.08 2db3D1 PHE 390 HD2 -0.04 0.02 -0.11 -0.04 7.28 7.11 2db3D1 PHE 390 HE2 -0.13 -0.03 -0.11 -0.04 7.38 7.07 2db3D1 PHE 390 HZ -0.08 -0.10 -0.16 -0.04 7.32 6.93 2db3D1 GLU 391 H 0.10 0.00 -0.06 -0.55 8.60 8.10 2db3D1 GLU 391 HA 0.12 0.27 0.35 -0.75 4.29 4.28 2db3D1 GLU 391 HB2 0.08 0.02 -0.09 -0.04 2.09 2.06 2db3D1 GLU 391 HB3 0.08 0.02 0.10 -0.04 1.99 2.15 2db3D1 GLU 391 HG2 0.06 -0.09 0.01 -0.04 2.34 2.29 2db3D1 GLU 391 HG3 0.06 0.02 -0.02 -0.04 2.34 2.36 2db3D1 ASP 392 H 0.11 0.05 -0.38 -0.55 8.40 7.63 2db3D1 ASP 392 HA 0.11 0.21 0.83 -0.75 4.63 5.02 2db3D1 ASP 392 HB2 0.10 0.14 -0.11 -0.04 2.71 2.79 2db3D1 ASP 392 HB3 0.12 -0.03 0.11 -0.04 2.70 2.86 2db3D1 THR 393 H 0.13 0.47 -0.27 -0.55 8.28 8.06 2db3D1 THR 393 HA 0.11 0.03 0.52 -0.75 4.39 4.30 2db3D1 THR 393 HB 0.00 0.02 0.12 -0.04 4.32 4.42 2db3D1 THR 393 HG23 -0.06 -0.06 -0.33 -0.04 1.22 0.73 2db3D1 ARG 394 H 0.10 0.58 0.41 -0.55 8.46 9.00 2db3D1 ARG 394 HA -0.07 0.24 0.99 -0.75 4.34 4.75 2db3D1 ARG 394 HB2 0.02 0.07 0.21 -0.04 1.90 2.15 2db3D1 ARG 394 HB3 -0.45 -0.08 0.15 -0.04 1.80 1.39 2db3D1 ARG 394 HG2 -0.08 0.04 0.02 -0.04 1.67 1.61 2db3D1 ARG 394 HG3 -0.02 0.10 -0.12 -0.04 1.67 1.59 2db3D1 ARG 394 HD2 -0.20 -0.02 0.03 -0.04 3.22 2.99 2db3D1 ARG 394 HD3 -0.27 -0.05 0.01 -0.04 3.22 2.87 2db3D1 PHE 395 H 0.16 0.24 0.16 -0.55 8.34 8.35 2db3D1 PHE 395 HA 0.05 0.26 0.97 -0.75 4.62 5.14 2db3D1 PHE 395 HB2 0.02 -0.11 0.18 -0.04 3.15 3.21 2db3D1 PHE 395 HB3 0.03 -0.06 -0.05 -0.04 3.06 2.94 2db3D1 PHE 395 HD2 0.03 0.03 -0.04 -0.04 7.28 7.26 2db3D1 PHE 395 HE2 0.00 0.05 -0.06 -0.04 7.38 7.34 2db3D1 PHE 395 HZ 0.00 0.02 -0.03 -0.04 7.32 7.28 2db3D1 VAL 396 H 0.11 0.82 0.27 -0.55 8.24 8.89 2db3D1 VAL 396 HA -0.04 0.17 1.04 -0.75 4.13 4.54 2db3D1 VAL 396 HB -0.01 0.08 0.19 -0.04 2.12 2.35 2db3D1 VAL 396 HG13 -0.14 -0.04 -0.15 -0.04 0.97 0.60 2db3D1 VAL 396 HG23 -0.34 0.01 -0.17 -0.04 0.95 0.41 2db3D1 VAL 397 H -0.04 0.81 0.40 -0.55 8.24 8.86 2db3D1 VAL 397 HA -0.06 0.29 1.14 -0.75 4.13 4.76 2db3D1 VAL 397 HB -0.18 -0.07 0.13 -0.04 2.12 1.95 2db3D1 VAL 397 HG13 -0.84 -0.04 -0.25 -0.04 0.97 -0.20 2db3D1 VAL 397 HG23 -0.03 0.01 -0.21 -0.04 0.95 0.69 2db3D1 LEU 398 H -0.07 0.83 0.39 -0.55 8.37 8.98 2db3D1 LEU 398 HA -0.12 0.12 1.04 -0.75 4.35 4.64 2db3D1 LEU 398 HB2 -0.04 -0.05 0.25 -0.04 1.64 1.77 2db3D1 LEU 398 HB3 -0.09 -0.04 0.02 -0.04 1.64 1.49 2db3D1 LEU 398 HG -0.08 0.11 -0.13 -0.04 1.64 1.50 2db3D1 LEU 398 HD13 -0.11 -0.01 -0.09 -0.04 0.93 0.67 2db3D1 LEU 398 HD23 -0.14 0.02 -0.14 -0.04 0.89 0.59 2db3D1 ASP 399 H -0.12 0.52 0.19 -0.55 8.40 8.45 2db3D1 ASP 399 HA -0.00 0.07 0.72 -0.75 4.63 4.66 2db3D1 ASP 399 HB2 -0.06 0.06 0.03 -0.04 2.71 2.70 2db3D1 ASP 399 HB3 -0.02 0.04 0.07 -0.04 2.70 2.75 2db3D1 GLU 400 H 0.06 0.18 0.23 -0.55 8.60 8.52 2db3D1 GLU 400 HA -0.04 -0.08 0.48 -0.75 4.29 3.90 2db3D1 GLU 400 HB2 -0.09 0.24 0.07 -0.04 2.09 2.27 2db3D1 GLU 400 HB3 -0.12 -0.12 0.23 -0.04 1.99 1.93 2db3D1 GLU 400 HG2 -0.01 0.03 -0.19 -0.04 2.34 2.12 2db3D1 GLU 400 HG3 -0.06 -0.01 -0.07 -0.04 2.34 2.15 2db3D1 ALA 401 H -0.05 0.61 -0.10 -0.55 8.40 8.31 2db3D1 ALA 401 HA -0.11 0.11 0.15 -0.75 4.34 3.74 2db3D1 ALA 401 HB3 -0.04 0.05 -0.01 -0.04 1.41 1.37 2db3D1 ASP 402 H -0.57 0.14 -0.20 -0.55 8.40 7.23 2db3D1 ASP 402 HA -0.39 0.13 0.29 -0.75 4.63 3.91 2db3D1 ASP 402 HB2 -0.20 -0.07 -0.07 -0.04 2.71 2.33 2db3D1 ASP 402 HB3 -0.92 0.10 0.03 -0.04 2.70 1.87 2db3D1 ARG 403 H -0.16 0.22 -0.33 -0.55 8.46 7.64 2db3D1 ARG 403 HA -0.01 -0.01 0.49 -0.75 4.34 4.05 2db3D1 ARG 403 HB2 -0.11 -0.10 0.08 -0.04 1.90 1.72 2db3D1 ARG 403 HB3 -0.08 0.24 0.14 -0.04 1.80 2.06 2db3D1 ARG 403 HG2 0.03 -0.02 -0.00 -0.04 1.67 1.64 2db3D1 ARG 403 HG3 0.20 0.04 -0.14 -0.04 1.67 1.73 2db3D1 ARG 403 HD2 0.03 -0.01 0.09 -0.04 3.22 3.29 2db3D1 ARG 403 HD3 -0.03 -0.04 0.01 -0.04 3.22 3.12 2db3D1 MET 404 H -0.10 0.46 -0.09 -0.55 8.47 8.19 2db3D1 MET 404 HA -0.09 -0.04 0.37 -0.75 4.52 4.00 2db3D1 MET 404 HB2 -0.12 0.14 -0.02 -0.04 2.15 2.11 2db3D1 MET 404 HB3 -0.19 -0.03 -0.02 -0.04 2.03 1.75 2db3D1 MET 404 HG2 -0.16 0.28 -0.10 -0.04 2.63 2.61 2db3D1 MET 404 HG3 -0.19 0.01 -0.12 -0.04 2.56 2.22 2db3D1 MET 404 HE3 -0.67 0.02 -0.16 -0.04 2.10 1.25 2db3D1 LEU 405 H -0.04 0.29 -0.42 -0.55 8.37 7.66 2db3D1 LEU 405 HA 0.01 0.17 0.67 -0.75 4.35 4.45 2db3D1 LEU 405 HB2 0.04 -0.02 -0.02 -0.04 1.64 1.60 2db3D1 LEU 405 HB3 0.09 -0.04 0.03 -0.04 1.64 1.69 2db3D1 LEU 405 HG -0.02 0.02 -0.14 -0.04 1.64 1.46 2db3D1 LEU 405 HD13 0.18 -0.01 -0.15 -0.04 0.93 0.90 2db3D1 LEU 405 HD23 -0.06 0.02 -0.15 -0.04 0.89 0.67 2db3D1 ASP 406 H 0.05 0.24 -0.37 -0.55 8.40 7.77 2db3D1 ASP 406 HA 0.04 0.10 0.52 -0.75 4.63 4.55 2db3D1 ASP 406 HB2 0.02 0.23 0.18 -0.04 2.71 3.10 2db3D1 ASP 406 HB3 0.04 -0.05 0.07 -0.04 2.70 2.72 2db3D1 MET 407 H 0.02 0.11 0.13 -0.55 8.47 8.19 2db3D1 MET 407 HA 0.02 0.11 0.30 -0.75 4.52 4.20 2db3D1 MET 407 HB2 -0.01 -0.09 0.12 -0.04 2.15 2.13 2db3D1 MET 407 HB3 -0.01 0.06 0.01 -0.04 2.03 2.05 2db3D1 MET 407 HG2 0.02 0.08 0.07 -0.04 2.63 2.75 2db3D1 MET 407 HG3 0.02 -0.05 0.13 -0.04 2.56 2.62 2db3D1 MET 407 HE3 0.00 -0.02 0.04 -0.04 2.10 2.08 2db3D1 GLY 408 H -0.04 0.03 -0.13 -0.55 8.43 7.73 2db3D1 GLY 408 HA2 -0.13 0.05 0.40 -0.51 4.01 3.81 2db3D1 GLY 408 HA3 -0.23 -0.02 0.31 -0.51 4.01 3.57 2db3D1 PHE 409 H 0.07 0.22 -0.16 -0.55 8.34 7.92 2db3D1 PHE 409 HA -0.01 0.11 0.91 -0.75 4.62 4.88 2db3D1 PHE 409 HB2 -0.03 0.16 0.11 -0.04 3.15 3.35 2db3D1 PHE 409 HB3 -0.03 0.02 0.12 -0.04 3.06 3.13 2db3D1 PHE 409 HD2 -0.02 0.07 -0.01 -0.04 7.28 7.28 2db3D1 PHE 409 HE2 -0.01 -0.08 0.04 -0.04 7.38 7.29 2db3D1 PHE 409 HZ -0.01 0.11 0.12 -0.04 7.32 7.50 2db3D1 SER 410 H 0.08 0.45 -0.17 -0.55 8.46 8.28 2db3D1 SER 410 HA 0.04 0.12 0.29 -0.75 4.49 4.18 2db3D1 SER 410 HB2 0.07 0.01 -0.02 -0.04 3.95 3.97 2db3D1 SER 410 HB3 0.06 0.18 -0.24 -0.04 3.93 3.89 2db3D1 GLU 411 H 0.05 0.19 -0.23 -0.55 8.60 8.06 2db3D1 GLU 411 HA 0.05 0.10 0.37 -0.75 4.29 4.05 2db3D1 GLU 411 HB2 0.03 0.00 0.09 -0.04 2.09 2.17 2db3D1 GLU 411 HB3 0.04 0.03 -0.06 -0.04 1.99 1.95 2db3D1 GLU 411 HG2 0.04 0.03 0.02 -0.04 2.34 2.38 2db3D1 GLU 411 HG3 0.03 0.01 0.02 -0.04 2.34 2.36 2db3D1 ASP 412 H 0.08 0.15 -0.12 -0.55 8.40 7.96 2db3D1 ASP 412 HA 0.06 0.08 0.44 -0.75 4.63 4.45 2db3D1 ASP 412 HB2 0.16 0.07 0.12 -0.04 2.71 3.02 2db3D1 ASP 412 HB3 0.09 -0.03 -0.04 -0.04 2.70 2.68 2db3D1 MET 413 H 0.04 0.54 -0.16 -0.55 8.47 8.33 2db3D1 MET 413 HA -0.09 -0.01 0.40 -0.75 4.52 4.07 2db3D1 MET 413 HB2 -0.03 0.15 0.03 -0.04 2.15 2.25 2db3D1 MET 413 HB3 -0.13 0.07 -0.01 -0.04 2.03 1.92 2db3D1 MET 413 HG2 -0.16 0.00 -0.20 -0.04 2.63 2.24 2db3D1 MET 413 HG3 -0.24 0.01 -0.08 -0.04 2.56 2.21 2db3D1 MET 413 HE3 -0.14 -0.01 -0.06 -0.04 2.10 1.84 2db3D1 ARG 414 H -0.03 0.66 -0.13 -0.55 8.46 8.41 2db3D1 ARG 414 HA -0.14 0.06 0.37 -0.75 4.34 3.88 2db3D1 ARG 414 HB2 0.08 -0.01 0.08 -0.04 1.90 2.00 2db3D1 ARG 414 HB3 0.05 0.08 0.15 -0.04 1.80 2.04 2db3D1 ARG 414 HG2 0.10 0.01 -0.27 -0.04 1.67 1.47 2db3D1 ARG 414 HG3 0.22 0.02 -0.03 -0.04 1.67 1.84 2db3D1 ARG 414 HD2 0.09 -0.04 -0.04 -0.04 3.22 3.18 2db3D1 ARG 414 HD3 0.10 -0.00 -0.06 -0.04 3.22 3.22 2db3D1 ARG 415 H 0.03 0.45 -0.18 -0.55 8.46 8.21 2db3D1 ARG 415 HA 0.09 0.04 0.25 -0.75 4.34 3.96 2db3D1 ARG 415 HB2 0.07 0.08 0.10 -0.04 1.90 2.10 2db3D1 ARG 415 HB3 0.11 -0.05 -0.02 -0.04 1.80 1.81 2db3D1 ARG 415 HG2 0.07 -0.02 0.00 -0.04 1.67 1.68 2db3D1 ARG 415 HG3 0.05 0.24 0.03 -0.04 1.67 1.96 2db3D1 ARG 415 HD2 0.05 -0.04 -0.05 -0.04 3.22 3.14 2db3D1 ARG 415 HD3 0.06 -0.08 -0.06 -0.04 3.22 3.10 2db3D1 ILE 416 H -0.01 0.29 -0.57 -0.55 8.25 7.41 2db3D1 ILE 416 HA 0.09 0.06 0.59 -0.75 4.18 4.16 2db3D1 ILE 416 HB -0.10 0.07 0.15 -0.04 1.89 1.97 2db3D1 ILE 416 HG12 0.08 -0.07 -0.09 -0.04 1.49 1.38 2db3D1 ILE 416 HG13 0.03 0.20 0.00 -0.04 1.21 1.40 2db3D1 ILE 416 HG23 -0.21 -0.01 -0.20 -0.04 0.93 0.47 2db3D1 ILE 416 HD13 -0.01 -0.06 -0.11 -0.04 0.88 0.66 2db3D1 MET 417 H -0.14 0.60 0.09 -0.55 8.47 8.47 2db3D1 MET 417 HA -0.21 0.07 0.38 -0.75 4.52 4.01 2db3D1 MET 417 HB2 -0.27 0.02 0.03 -0.04 2.15 1.88 2db3D1 MET 417 HB3 -0.06 0.05 0.07 -0.04 2.03 2.06 2db3D1 MET 417 HG2 -0.21 -0.02 -0.04 -0.04 2.63 2.32 2db3D1 MET 417 HG3 -0.25 0.04 0.07 -0.04 2.56 2.37 2db3D1 MET 417 HE3 -1.17 0.00 -0.19 -0.04 2.10 0.69 2db3D1 THR 418 H 0.04 0.25 -0.62 -0.55 8.28 7.39 2db3D1 THR 418 HA 0.11 0.21 0.70 -0.75 4.39 4.66 2db3D1 THR 418 HB 0.10 0.49 0.05 -0.04 4.32 4.92 2db3D1 THR 418 HG23 0.08 -0.05 -0.02 -0.04 1.22 1.18 2db3D1 HIS 419 H 0.15 0.33 -0.39 -0.55 8.41 7.96 2db3D1 HIS 419 HA 0.09 0.00 0.39 -0.75 4.63 4.35 2db3D1 HIS 419 HB2 0.20 0.23 0.23 -0.04 3.26 3.88 2db3D1 HIS 419 HB3 0.27 -0.08 0.03 -0.04 3.20 3.38 2db3D1 HIS 419 HD2 0.11 0.12 0.08 -0.04 6.97 7.23 2db3D1 HIS 419 HE1 0.03 0.06 0.06 -0.04 7.75 7.86 2db3D1 VAL 420 H -0.57 0.08 0.19 -0.55 8.24 7.39 2db3D1 VAL 420 HA -0.03 0.17 0.39 -0.75 4.13 3.91 2db3D1 VAL 420 HB -0.23 -0.07 0.11 -0.04 2.12 1.90 2db3D1 VAL 420 HG13 -0.02 0.01 -0.06 -0.04 0.97 0.85 2db3D1 VAL 420 HG23 -0.11 0.00 0.09 -0.04 0.95 0.88 2db3D1 THR 421 H 0.16 -0.01 -0.20 -0.55 8.28 7.68 2db3D1 THR 421 HA 0.13 0.15 0.41 -0.75 4.39 4.32 2db3D1 THR 421 HB 0.51 -0.01 0.04 -0.04 4.32 4.82 2db3D1 THR 421 HG23 0.12 0.02 0.07 -0.04 1.22 1.40 2db3D1 MET 422 H 0.24 0.28 -0.68 -0.55 8.47 7.76 2db3D1 MET 422 HA 0.19 -0.08 0.19 -0.75 4.52 4.06 2db3D1 MET 422 HB2 0.09 -0.13 -0.06 -0.04 2.15 2.00 2db3D1 MET 422 HB3 0.10 0.11 -0.11 -0.04 2.03 2.08 2db3D1 MET 422 HG2 -0.06 0.12 -0.12 -0.04 2.63 2.53 2db3D1 MET 422 HG3 -0.01 0.23 -0.36 -0.04 2.56 2.38 2db3D1 MET 422 HE3 -0.42 0.05 -0.08 -0.04 2.10 1.61 2db3D1 ARG 423 H 0.10 0.21 0.08 -0.55 8.46 8.29 2db3D1 ARG 423 HA 0.11 0.01 0.42 -0.75 4.34 4.12 2db3D1 ARG 423 HB2 0.10 0.02 0.07 -0.04 1.90 2.05 2db3D1 ARG 423 HB3 0.12 0.11 0.06 -0.04 1.80 2.05 2db3D1 ARG 423 HG2 0.08 0.12 -0.05 -0.04 1.67 1.78 2db3D1 ARG 423 HG3 0.08 -0.13 0.10 -0.04 1.67 1.69 2db3D1 ARG 423 HD2 0.09 0.22 0.12 -0.04 3.22 3.61 2db3D1 ARG 423 HD3 0.06 0.09 -0.29 -0.04 3.22 3.04 2db3D1 PRO 424 HA 0.08 0.05 0.35 -0.51 4.44 4.41 2db3D1 PRO 424 HB2 0.04 -0.06 0.10 -0.04 2.28 2.32 2db3D1 PRO 424 HB3 0.03 -0.05 0.08 -0.04 2.02 2.04 2db3D1 PRO 424 HG2 0.05 -0.06 0.10 -0.04 2.03 2.07 2db3D1 PRO 424 HG3 0.06 0.07 0.11 -0.04 2.03 2.23 2db3D1 PRO 424 HD2 0.07 0.04 0.21 -0.04 3.68 3.96 2db3D1 PRO 424 HD3 0.08 0.19 0.22 -0.04 3.65 4.10 2db3D1 GLU 425 H 0.05 0.10 -0.21 -0.55 8.60 7.99 2db3D1 GLU 425 HA -0.10 0.17 1.03 -0.75 4.29 4.63 2db3D1 GLU 425 HB2 0.00 -0.06 0.10 -0.04 2.09 2.09 2db3D1 GLU 425 HB3 -0.04 0.04 -0.02 -0.04 1.99 1.93 2db3D1 GLU 425 HG2 -0.05 0.09 -0.01 -0.04 2.34 2.33 2db3D1 GLU 425 HG3 -0.01 -0.08 -0.12 -0.04 2.34 2.08 2db3D1 HIS 426 H -0.39 0.33 0.19 -0.55 8.41 7.99 2db3D1 HIS 426 HA -0.15 0.11 0.60 -0.75 4.63 4.44 2db3D1 HIS 426 HB2 -0.09 -0.13 -0.21 -0.04 3.26 2.78 2db3D1 HIS 426 HB3 -0.05 0.28 -0.14 -0.04 3.20 3.26 2db3D1 HIS 426 HD2 -0.05 0.08 -0.64 -0.04 6.97 6.31 2db3D1 HIS 426 HE1 0.01 0.02 -0.08 -0.04 7.75 7.65 2db3D1 GLN 427 H -0.18 0.65 0.23 -0.55 8.47 8.63 2db3D1 GLN 427 HA -0.06 0.13 0.84 -0.75 4.36 4.52 2db3D1 GLN 427 HB2 -0.25 0.06 0.20 -0.04 2.15 2.13 2db3D1 GLN 427 HB3 0.05 -0.04 -0.09 -0.04 2.02 1.90 2db3D1 GLN 427 HG2 -0.03 0.07 -0.30 -0.04 2.40 2.10 2db3D1 GLN 427 HG3 -0.15 -0.03 -0.07 -0.04 2.39 2.10 2db3D1 GLN 427 HE21 0.05 0.03 0.04 -0.04 6.97 7.05 2db3D1 GLN 427 HE22 -0.33 0.01 0.04 -0.04 7.69 7.37 2db3D1 THR 428 H 0.04 0.18 0.25 -0.55 8.28 8.20 2db3D1 THR 428 HA 0.09 0.29 1.07 -0.75 4.39 5.09 2db3D1 THR 428 HB 0.05 -0.08 0.25 -0.04 4.32 4.50 2db3D1 THR 428 HG23 0.05 -0.02 -0.09 -0.04 1.22 1.11 2db3D1 LEU 429 H 0.05 0.76 0.44 -0.55 8.37 9.08 2db3D1 LEU 429 HA 0.02 0.20 1.11 -0.75 4.35 4.93 2db3D1 LEU 429 HB2 0.13 -0.12 0.07 -0.04 1.64 1.68 2db3D1 LEU 429 HB3 0.25 -0.03 0.00 -0.04 1.64 1.83 2db3D1 LEU 429 HG 0.18 -0.01 -0.35 -0.04 1.64 1.42 2db3D1 LEU 429 HD13 0.28 -0.00 -0.09 -0.04 0.93 1.07 2db3D1 LEU 429 HD23 0.13 0.08 -0.05 -0.04 0.89 1.00 2db3D1 MET 430 H -0.11 0.73 0.34 -0.55 8.47 8.89 2db3D1 MET 430 HA 0.06 0.23 1.17 -0.75 4.52 5.22 2db3D1 MET 430 HB2 0.03 0.07 0.20 -0.04 2.15 2.41 2db3D1 MET 430 HB3 0.21 -0.14 0.02 -0.04 2.03 2.07 2db3D1 MET 430 HG2 0.02 -0.02 -0.02 -0.04 2.63 2.58 2db3D1 MET 430 HG3 0.01 0.05 -0.40 -0.04 2.56 2.18 2db3D1 MET 430 HE3 0.06 0.06 -0.14 -0.04 2.10 2.04 2db3D1 PHE 431 H 0.18 0.53 0.39 -0.55 8.34 8.88 2db3D1 PHE 431 HA 0.12 0.40 1.14 -0.75 4.62 5.52 2db3D1 PHE 431 HB2 0.02 -0.04 0.09 -0.04 3.15 3.18 2db3D1 PHE 431 HB3 0.13 -0.09 -0.04 -0.04 3.06 3.02 2db3D1 PHE 431 HD2 -0.01 -0.05 -0.24 -0.04 7.28 6.94 2db3D1 PHE 431 HE2 0.09 0.03 -0.17 -0.04 7.38 7.29 2db3D1 PHE 431 HZ 0.16 0.14 -0.27 -0.04 7.32 7.31 2db3D1 SER 432 H 0.22 0.75 0.40 -0.55 8.46 9.29 2db3D1 SER 432 HA 0.16 -0.06 0.50 -0.75 4.49 4.33 2db3D1 SER 432 HB2 -0.09 -0.08 0.07 -0.04 3.95 3.82 2db3D1 SER 432 HB3 -0.06 0.23 -0.05 -0.04 3.93 4.01 2db3D1 ALA 433 H 0.22 0.03 0.22 -0.55 8.40 8.32 2db3D1 ALA 433 HA 0.05 0.36 0.60 -0.75 4.34 4.60 2db3D1 ALA 433 HB3 -0.13 -0.01 0.05 -0.04 1.41 1.29 2db3D1 THR 434 H 0.17 -0.01 0.05 -0.55 8.28 7.94 2db3D1 THR 434 HA 0.10 0.22 0.86 -0.75 4.39 4.82 2db3D1 THR 434 HB 0.12 -0.03 -0.00 -0.04 4.32 4.36 2db3D1 THR 434 HG23 -0.05 0.02 -0.12 -0.04 1.22 1.04 2db3D1 PHE 435 H 0.20 0.18 -0.18 -0.55 8.34 7.98 2db3D1 PHE 435 HA 0.08 0.03 0.39 -0.75 4.62 4.37 2db3D1 PHE 435 HB2 0.09 0.01 -0.58 -0.04 3.15 2.63 2db3D1 PHE 435 HB3 0.12 0.04 -0.02 -0.04 3.06 3.16 2db3D1 PHE 435 HD2 0.06 0.06 -0.27 -0.04 7.28 7.09 2db3D1 PHE 435 HE2 0.02 0.07 -0.40 -0.04 7.38 7.02 2db3D1 PHE 435 HZ -0.00 0.08 -0.20 -0.04 7.32 7.16 2db3D1 PRO 436 HA 0.11 0.11 0.40 -0.51 4.44 4.56 2db3D1 PRO 436 HB2 0.11 -0.11 0.01 -0.04 2.28 2.24 2db3D1 PRO 436 HB3 0.08 0.08 0.09 -0.04 2.02 2.23 2db3D1 PRO 436 HG2 0.06 0.06 0.01 -0.04 2.03 2.12 2db3D1 PRO 436 HG3 0.08 0.05 0.03 -0.04 2.03 2.16 2db3D1 PRO 436 HD2 0.11 0.13 0.04 -0.04 3.68 3.92 2db3D1 PRO 436 HD3 0.09 0.08 -0.10 -0.04 3.65 3.67 2db3D1 GLU 437 H 0.07 0.19 0.17 -0.55 8.60 8.48 2db3D1 GLU 437 HA 0.02 0.17 0.37 -0.75 4.29 4.10 2db3D1 GLU 437 HB2 0.02 -0.03 0.17 -0.04 2.09 2.22 2db3D1 GLU 437 HB3 0.01 0.05 -0.03 -0.04 1.99 1.98 2db3D1 GLU 437 HG2 -0.04 0.05 0.00 -0.04 2.34 2.31 2db3D1 GLU 437 HG3 -0.04 0.04 0.04 -0.04 2.34 2.35 2db3D1 GLU 438 H 0.06 0.06 -0.19 -0.55 8.60 7.98 2db3D1 GLU 438 HA 0.04 0.13 0.36 -0.75 4.29 4.07 2db3D1 GLU 438 HB2 0.04 0.06 0.07 -0.04 2.09 2.21 2db3D1 GLU 438 HB3 0.06 -0.10 0.03 -0.04 1.99 1.94 2db3D1 GLU 438 HG2 0.04 -0.01 -0.05 -0.04 2.34 2.28 2db3D1 GLU 438 HG3 0.06 0.01 -0.35 -0.04 2.34 2.02 2db3D1 ILE 439 H 0.14 0.19 -0.44 -0.55 8.25 7.59 2db3D1 ILE 439 HA 0.14 0.15 0.56 -0.75 4.18 4.28 2db3D1 ILE 439 HB 0.25 0.06 -0.03 -0.04 1.89 2.13 2db3D1 ILE 439 HG12 0.08 0.09 -0.13 -0.04 1.49 1.48 2db3D1 ILE 439 HG13 0.09 -0.14 -0.10 -0.04 1.21 1.02 2db3D1 ILE 439 HG23 0.15 0.02 -0.10 -0.04 0.93 0.96 2db3D1 ILE 439 HD13 0.03 0.03 -0.03 -0.04 0.88 0.87 2db3D1 GLN 440 H 0.15 0.38 -0.21 -0.55 8.47 8.24 2db3D1 GLN 440 HA -0.18 0.04 0.34 -0.75 4.36 3.81 2db3D1 GLN 440 HB2 -0.06 0.10 0.08 -0.04 2.15 2.23 2db3D1 GLN 440 HB3 -0.20 0.02 -0.07 -0.04 2.02 1.73 2db3D1 GLN 440 HG2 -0.95 -0.04 -0.11 -0.04 2.40 1.25 2db3D1 GLN 440 HG3 -0.01 0.09 -0.28 -0.04 2.39 2.15 2db3D1 GLN 440 HE21 0.03 -0.05 -0.08 -0.04 6.97 6.82 2db3D1 GLN 440 HE22 0.10 0.52 -0.08 -0.04 7.69 8.19 2db3D1 ARG 441 H 0.04 0.32 -0.36 -0.55 8.46 7.90 2db3D1 ARG 441 HA 0.00 0.09 0.40 -0.75 4.34 4.08 2db3D1 ARG 441 HB2 0.03 0.12 0.08 -0.04 1.90 2.09 2db3D1 ARG 441 HB3 0.01 0.00 -0.04 -0.04 1.80 1.73 2db3D1 ARG 441 HG2 -0.01 0.01 -0.03 -0.04 1.67 1.59 2db3D1 ARG 441 HG3 -0.00 0.15 -0.02 -0.04 1.67 1.76 2db3D1 ARG 441 HD2 0.01 -0.04 -0.04 -0.04 3.22 3.10 2db3D1 ARG 441 HD3 -0.00 0.02 -0.04 -0.04 3.22 3.16 2db3D1 MET 442 H 0.09 0.19 -0.26 -0.55 8.47 7.94 2db3D1 MET 442 HA 0.06 0.08 0.42 -0.75 4.52 4.32 2db3D1 MET 442 HB2 0.15 0.05 0.09 -0.04 2.15 2.40 2db3D1 MET 442 HB3 0.18 0.02 0.02 -0.04 2.03 2.21 2db3D1 MET 442 HG2 0.07 -0.01 0.01 -0.04 2.63 2.66 2db3D1 MET 442 HG3 0.08 0.16 0.12 -0.04 2.56 2.87 2db3D1 MET 442 HE3 0.08 -0.04 -0.09 -0.04 2.10 2.01 2db3D1 ALA 443 H 0.13 0.33 -0.38 -0.55 8.40 7.94 2db3D1 ALA 443 HA 0.27 0.04 0.32 -0.75 4.34 4.22 2db3D1 ALA 443 HB3 0.09 0.03 -0.01 -0.04 1.41 1.48 2db3D1 GLY 444 H -0.02 0.37 -0.32 -0.55 8.43 7.91 2db3D1 GLY 444 HA2 -0.12 -0.01 0.26 -0.51 4.01 3.63 2db3D1 GLY 444 HA3 0.04 0.05 0.24 -0.51 4.01 3.83 2db3D1 GLU 445 H -0.14 0.28 -0.61 -0.55 8.60 7.59 2db3D1 GLU 445 HA -0.20 0.04 0.46 -0.75 4.29 3.83 2db3D1 GLU 445 HB2 -0.31 -0.05 0.08 -0.04 2.09 1.77 2db3D1 GLU 445 HB3 -1.10 0.10 0.03 -0.04 1.99 0.98 2db3D1 GLU 445 HG2 -0.58 0.06 -0.07 -0.04 2.34 1.71 2db3D1 GLU 445 HG3 -0.28 -0.05 0.05 -0.04 2.34 2.02 2db3D1 PHE 446 H -0.07 0.44 -0.16 -0.55 8.34 8.00 2db3D1 PHE 446 HA 0.01 0.21 0.76 -0.75 4.62 4.84 2db3D1 PHE 446 HB2 -0.01 -0.01 0.02 -0.04 3.15 3.11 2db3D1 PHE 446 HB3 0.02 0.01 0.10 -0.04 3.06 3.15 2db3D1 PHE 446 HD2 0.01 0.09 -0.03 -0.04 7.28 7.31 2db3D1 PHE 446 HE2 0.02 -0.01 -0.08 -0.04 7.38 7.27 2db3D1 PHE 446 HZ 0.02 -0.08 -0.06 -0.04 7.32 7.16 2db3D1 LEU 447 H -0.01 0.28 -0.42 -0.55 8.37 7.68 2db3D1 LEU 447 HA 0.02 0.16 0.87 -0.75 4.35 4.64 2db3D1 LEU 447 HB2 -0.21 -0.02 -0.04 -0.04 1.64 1.32 2db3D1 LEU 447 HB3 -0.11 -0.06 -0.09 -0.04 1.64 1.33 2db3D1 LEU 447 HG -0.12 0.14 -0.35 -0.04 1.64 1.27 2db3D1 LEU 447 HD13 -0.97 -0.05 -0.30 -0.04 0.93 -0.43 2db3D1 LEU 447 HD23 -0.09 0.01 -0.16 -0.04 0.89 0.61 2db3D1 LYS 448 H 0.05 0.22 0.15 -0.55 8.42 8.29 2db3D1 LYS 448 HA 0.06 0.18 1.04 -0.75 4.32 4.85 2db3D1 LYS 448 HB2 -0.01 0.04 0.13 -0.04 1.87 1.99 2db3D1 LYS 448 HB3 -0.00 -0.02 0.02 -0.04 1.79 1.74 2db3D1 LYS 448 HG2 -0.01 0.10 -0.41 -0.04 1.46 1.10 2db3D1 LYS 448 HG3 -0.05 0.09 -0.10 -0.04 1.46 1.36 2db3D1 LYS 448 HD2 -0.04 0.05 -0.03 -0.04 1.69 1.64 2db3D1 LYS 448 HD3 -0.03 -0.02 -0.00 -0.04 1.68 1.59 2db3D1 LYS 448 HE2 -0.01 -0.07 0.04 -0.04 2.99 2.91 2db3D1 LYS 448 HE3 -0.02 0.07 0.00 -0.04 2.99 3.00 2db3D1 ASN 449 H 0.03 0.16 0.13 -0.55 8.53 8.30 2db3D1 ASN 449 HA -0.04 -0.03 0.33 -0.75 4.76 4.27 2db3D1 ASN 449 HB2 -0.01 -0.05 0.00 -0.04 2.88 2.79 2db3D1 ASN 449 HB3 0.01 0.18 -0.02 -0.04 2.79 2.91 2db3D1 ASN 449 HD21 -0.04 -0.10 0.06 -0.04 7.03 6.91 2db3D1 ASN 449 HD22 -0.06 0.01 0.05 -0.04 7.74 7.70 2db3D1 TYR 450 H 0.17 -0.04 -0.48 -0.55 8.29 7.39 2db3D1 TYR 450 HA -0.00 0.26 0.40 -0.75 4.56 4.47 2db3D1 TYR 450 HB2 0.00 0.02 -0.34 -0.04 3.06 2.71 2db3D1 TYR 450 HB3 -0.00 -0.09 -0.21 -0.04 2.98 2.64 2db3D1 TYR 450 HD2 0.01 0.13 -0.44 -0.04 7.15 6.81 2db3D1 TYR 450 HE2 0.01 -0.02 -0.13 -0.04 6.85 6.67 2db3D1 VAL 451 H 0.16 0.59 0.27 -0.55 8.24 8.71 2db3D1 VAL 451 HA -0.00 0.21 0.90 -0.75 4.13 4.48 2db3D1 VAL 451 HB 0.04 -0.02 0.16 -0.04 2.12 2.26 2db3D1 VAL 451 HG13 -0.00 -0.01 -0.15 -0.04 0.97 0.77 2db3D1 VAL 451 HG23 0.02 0.02 0.04 -0.04 0.95 0.99 2db3D1 PHE 452 H 0.11 0.66 0.35 -0.55 8.34 8.91 2db3D1 PHE 452 HA 0.06 0.22 1.01 -0.75 4.62 5.16 2db3D1 PHE 452 HB2 0.04 0.00 -0.04 -0.04 3.15 3.11 2db3D1 PHE 452 HB3 -0.06 -0.06 0.15 -0.04 3.06 3.05 2db3D1 PHE 452 HD2 -0.03 -0.02 -0.14 -0.04 7.28 7.05 2db3D1 PHE 452 HE2 -0.10 -0.04 -0.16 -0.04 7.38 7.03 2db3D1 PHE 452 HZ -0.03 -0.06 -0.13 -0.04 7.32 7.05 2db3D1 VAL 453 H -0.54 0.66 0.38 -0.55 8.24 8.19 2db3D1 VAL 453 HA -0.29 0.32 1.16 -0.75 4.13 4.57 2db3D1 VAL 453 HB -0.14 0.06 -0.11 -0.04 2.12 1.90 2db3D1 VAL 453 HG13 -0.21 -0.01 0.11 -0.04 0.97 0.83 2db3D1 VAL 453 HG23 -0.12 -0.01 -0.13 -0.04 0.95 0.65 2db3D1 ALA 454 H -0.26 0.79 0.32 -0.55 8.40 8.71 2db3D1 ALA 454 HA -0.23 0.19 1.06 -0.75 4.34 4.61 2db3D1 ALA 454 HB3 -0.12 -0.00 -0.01 -0.04 1.41 1.24 2db3D1 ILE 455 H -0.07 0.75 0.31 -0.55 8.25 8.68 2db3D1 ILE 455 HA -0.05 0.15 0.83 -0.75 4.18 4.36 2db3D1 ILE 455 HB -0.04 -0.16 0.32 -0.04 1.89 1.96 2db3D1 ILE 455 HG12 -0.07 0.12 0.02 -0.04 1.49 1.52 2db3D1 ILE 455 HG13 -0.07 -0.17 -0.05 -0.04 1.21 0.88 2db3D1 ILE 455 HG23 -0.06 0.00 -0.04 -0.04 0.93 0.80 2db3D1 ILE 455 HD13 -0.07 0.02 -0.22 -0.04 0.88 0.57 2db3D1 GLY 456 H -0.01 0.67 0.22 -0.55 8.43 8.77 2db3D1 GLY 456 HA2 0.01 0.04 0.35 -0.51 4.01 3.89 2db3D1 GLY 456 HA3 0.01 0.04 0.50 -0.51 4.01 4.05 2db3D1 ILE 457 H 0.02 0.14 0.12 -0.55 8.25 7.98 2db3D1 ILE 457 HA 0.03 0.02 0.40 -0.75 4.18 3.89 2db3D1 ILE 457 HB 0.02 -0.00 0.11 -0.04 1.89 1.97 2db3D1 ILE 457 HG12 0.02 -0.01 0.03 -0.04 1.49 1.49 2db3D1 ILE 457 HG13 0.01 -0.03 0.10 -0.04 1.21 1.25 2db3D1 ILE 457 HG23 0.03 0.01 -0.18 -0.04 0.93 0.75 2db3D1 ILE 457 HD13 0.01 0.04 0.07 -0.04 0.88 0.95 2db3D1 VAL 458 H 0.07 0.11 0.12 -0.55 8.24 7.98 2db3D1 VAL 458 HA 0.08 0.10 0.38 -0.75 4.13 3.93 2db3D1 VAL 458 HB 0.11 -0.04 0.08 -0.04 2.12 2.23 2db3D1 VAL 458 HG13 0.18 -0.01 -0.23 -0.04 0.97 0.87 2db3D1 VAL 458 HG23 0.18 0.03 -0.03 -0.04 0.95 1.09 2db3D1 GLY 459 H 0.06 0.35 0.20 -0.55 8.43 8.50 2db3D1 GLY 459 HA2 0.03 0.06 0.42 -0.51 4.01 4.01 2db3D1 GLY 459 HA3 0.06 -0.07 0.47 -0.51 4.01 3.96 2db3D1 GLY 460 H 0.03 0.41 -0.28 -0.55 8.43 8.04 2db3D1 GLY 460 HA2 0.03 0.03 0.47 -0.51 4.01 4.02 2db3D1 GLY 460 HA3 0.02 0.10 0.20 -0.51 4.01 3.82 2db3D1 ALA 461 H 0.03 0.15 0.09 -0.55 8.40 8.12 2db3D1 ALA 461 HA -0.01 0.00 0.52 -0.75 4.34 4.10 2db3D1 ALA 461 HB3 0.06 0.03 -0.00 -0.04 1.41 1.45 2db3D1 CYS 462 H -0.02 0.10 0.15 -0.55 8.50 8.19 2db3D1 CYS 462 HA 0.02 0.01 0.50 -0.75 4.58 4.36 2db3D1 CYS 462 HB2 0.02 -0.04 0.17 -0.04 2.97 3.07 2db3D1 CYS 462 HB3 0.00 0.04 0.16 -0.04 2.97 3.13 2db3D1 SER 463 H 0.00 0.10 0.21 -0.55 8.46 8.23 2db3D1 SER 463 HA -0.01 0.21 0.44 -0.75 4.49 4.38 2db3D1 SER 463 HB2 -0.04 0.09 0.11 -0.04 3.95 4.07 2db3D1 SER 463 HB3 -0.02 0.03 0.15 -0.04 3.93 4.05 2db3D1 ASP 464 H -0.02 0.04 -0.28 -0.55 8.40 7.59 2db3D1 ASP 464 HA -0.07 0.06 0.43 -0.75 4.63 4.29 2db3D1 ASP 464 HB2 0.02 0.17 -0.03 -0.04 2.71 2.82 2db3D1 ASP 464 HB3 0.05 0.07 -0.03 -0.04 2.70 2.75 2db3D1 VAL 465 H 0.00 0.27 -0.55 -0.55 8.24 7.41 2db3D1 VAL 465 HA 0.02 0.22 0.87 -0.75 4.13 4.48 2db3D1 VAL 465 HB 0.02 0.05 -0.23 -0.04 2.12 1.92 2db3D1 VAL 465 HG13 -0.00 0.09 -0.02 -0.04 0.97 1.00 2db3D1 VAL 465 HG23 0.02 -0.02 -0.46 -0.04 0.95 0.45 2db3D1 LYS 466 H 0.01 0.56 0.38 -0.55 8.42 8.82 2db3D1 LYS 466 HA 0.00 0.06 0.49 -0.75 4.32 4.12 2db3D1 LYS 466 HB2 0.01 0.10 0.26 -0.04 1.87 2.19 2db3D1 LYS 466 HB3 0.00 -0.11 0.20 -0.04 1.79 1.85 2db3D1 LYS 466 HG2 -0.00 0.03 0.06 -0.04 1.46 1.51 2db3D1 LYS 466 HG3 0.00 -0.05 0.02 -0.04 1.46 1.40 2db3D1 LYS 466 HD2 0.00 -0.02 -0.21 -0.04 1.69 1.42 2db3D1 LYS 466 HD3 -0.00 0.03 0.10 -0.04 1.68 1.76 2db3D1 LYS 466 HE2 0.00 -0.04 -0.03 -0.04 2.99 2.88 2db3D1 LYS 466 HE3 -0.00 -0.03 0.02 -0.04 2.99 2.93 2db3D1 GLN 467 H 0.02 0.18 0.25 -0.55 8.47 8.36 2db3D1 GLN 467 HA 0.05 0.28 1.14 -0.75 4.36 5.08 2db3D1 GLN 467 HB2 0.06 -0.03 0.11 -0.04 2.15 2.25 2db3D1 GLN 467 HB3 0.13 -0.08 -0.09 -0.04 2.02 1.94 2db3D1 GLN 467 HG2 0.06 -0.06 -0.19 -0.04 2.40 2.17 2db3D1 GLN 467 HG3 0.04 0.37 -0.19 -0.04 2.39 2.57 2db3D1 GLN 467 HE21 0.07 -0.08 -0.11 -0.04 6.97 6.82 2db3D1 GLN 467 HE22 0.04 0.31 -0.04 -0.04 7.69 7.96 2db3D1 THR 468 H 0.03 0.70 0.40 -0.55 8.28 8.86 2db3D1 THR 468 HA -0.07 0.17 0.98 -0.75 4.39 4.71 2db3D1 THR 468 HB -0.15 -0.06 0.12 -0.04 4.32 4.19 2db3D1 THR 468 HG23 -0.35 -0.00 -0.05 -0.04 1.22 0.78 2db3D1 ILE 469 H -0.09 0.25 0.19 -0.55 8.25 8.05 2db3D1 ILE 469 HA 0.08 0.17 1.04 -0.75 4.18 4.71 2db3D1 ILE 469 HB -0.00 -0.03 0.08 -0.04 1.89 1.90 2db3D1 ILE 469 HG12 -0.02 0.03 -0.26 -0.04 1.49 1.20 2db3D1 ILE 469 HG13 -0.09 0.00 -0.09 -0.04 1.21 0.99 2db3D1 ILE 469 HG23 0.23 -0.01 -0.13 -0.04 0.93 0.98 2db3D1 ILE 469 HD13 0.08 0.02 -0.21 -0.04 0.88 0.74 2db3D1 TYR 470 H 0.29 0.78 0.40 -0.55 8.29 9.21 2db3D1 TYR 470 HA 0.14 0.17 0.98 -0.75 4.56 5.10 2db3D1 TYR 470 HB2 0.14 0.02 0.03 -0.04 3.06 3.20 2db3D1 TYR 470 HB3 -0.06 0.03 -0.09 -0.04 2.98 2.82 2db3D1 TYR 470 HD2 0.18 -0.01 -0.05 -0.04 7.15 7.23 2db3D1 TYR 470 HE2 0.12 0.02 -0.07 -0.04 6.85 6.89 2db3D1 GLU 471 H -0.17 0.19 0.15 -0.55 8.60 8.23 2db3D1 GLU 471 HA -0.19 0.25 0.75 -0.75 4.29 4.35 2db3D1 GLU 471 HB2 -1.79 -0.02 0.07 -0.04 2.09 0.31 2db3D1 GLU 471 HB3 -0.46 0.00 0.21 -0.04 1.99 1.70 2db3D1 GLU 471 HG2 -0.21 -0.05 -0.08 -0.04 2.34 1.96 2db3D1 GLU 471 HG3 -0.21 0.04 0.03 -0.04 2.34 2.16 2db3D1 VAL 472 H -0.07 0.66 0.17 -0.55 8.24 8.44 2db3D1 VAL 472 HA -0.25 0.14 0.90 -0.75 4.13 4.17 2db3D1 VAL 472 HB -0.34 -0.02 -0.09 -0.04 2.12 1.62 2db3D1 VAL 472 HG13 -0.53 0.05 -0.27 -0.04 0.97 0.18 2db3D1 VAL 472 HG23 -0.46 0.03 -0.43 -0.04 0.95 0.06 2db3D1 ASN 473 H -0.29 0.18 0.09 -0.55 8.53 7.96 2db3D1 ASN 473 HA -0.15 0.04 0.51 -0.75 4.76 4.41 2db3D1 ASN 473 HB2 -0.62 0.02 0.08 -0.04 2.88 2.31 2db3D1 ASN 473 HB3 -0.08 -0.05 0.09 -0.04 2.79 2.70 2db3D1 ASN 473 HD21 -0.00 0.08 0.01 -0.04 7.03 7.08 2db3D1 ASN 473 HD22 -0.03 -0.09 0.08 -0.04 7.74 7.65 2db3D1 LYS 474 H -0.08 0.15 0.19 -0.55 8.42 8.11 2db3D1 LYS 474 HA -0.12 0.13 0.39 -0.75 4.32 3.97 2db3D1 LYS 474 HB2 -0.02 0.02 0.18 -0.04 1.87 2.00 2db3D1 LYS 474 HB3 0.04 -0.04 0.15 -0.04 1.79 1.90 2db3D1 LYS 474 HG2 0.01 0.01 -0.09 -0.04 1.46 1.34 2db3D1 LYS 474 HG3 -0.00 0.01 0.05 -0.04 1.46 1.47 2db3D1 LYS 474 HD2 0.02 0.01 0.02 -0.04 1.69 1.70 2db3D1 LYS 474 HD3 0.03 0.02 -0.05 -0.04 1.68 1.65 2db3D1 LYS 474 HE2 0.00 0.04 -0.01 -0.04 2.99 2.98 2db3D1 LYS 474 HE3 0.01 -0.02 -0.01 -0.04 2.99 2.92 2db3D1 TYR 475 H 0.07 0.09 -0.13 -0.55 8.29 7.77 2db3D1 TYR 475 HA -0.02 0.11 0.39 -0.75 4.56 4.28 2db3D1 TYR 475 HB2 -0.02 0.07 0.11 -0.04 3.06 3.18 2db3D1 TYR 475 HB3 -0.03 -0.01 0.08 -0.04 2.98 2.98 2db3D1 TYR 475 HD2 -0.03 -0.02 -0.12 -0.04 7.15 6.94 2db3D1 TYR 475 HE2 -0.04 0.02 -0.05 -0.04 6.85 6.74 2db3D1 ALA 476 H -0.64 0.45 -0.60 -0.55 8.40 7.07 2db3D1 ALA 476 HA -0.26 0.19 0.86 -0.75 4.34 4.38 2db3D1 ALA 476 HB3 -0.60 0.01 0.03 -0.04 1.41 0.81 2db3D1 LYS 477 H -0.30 0.40 -0.08 -0.55 8.42 7.89 2db3D1 LYS 477 HA -0.56 0.05 0.34 -0.75 4.32 3.40 2db3D1 LYS 477 HB2 -0.38 0.03 0.14 -0.04 1.87 1.61 2db3D1 LYS 477 HB3 -0.86 0.01 -0.01 -0.04 1.79 0.89 2db3D1 LYS 477 HG2 -0.31 -0.01 -0.05 -0.04 1.46 1.05 2db3D1 LYS 477 HG3 -0.29 0.10 -0.07 -0.04 1.46 1.16 2db3D1 LYS 477 HD2 -0.21 -0.10 0.06 -0.04 1.69 1.41 2db3D1 LYS 477 HD3 -0.58 0.10 0.05 -0.04 1.68 1.21 2db3D1 LYS 477 HE2 -0.01 0.07 0.00 -0.04 2.99 3.01 2db3D1 LYS 477 HE3 -0.12 -0.09 -0.08 -0.04 2.99 2.65 2db3D1 ARG 478 H -0.01 0.18 -0.19 -0.55 8.46 7.89 2db3D1 ARG 478 HA 0.29 0.07 0.31 -0.75 4.34 4.25 2db3D1 ARG 478 HB2 0.08 -0.02 0.05 -0.04 1.90 1.97 2db3D1 ARG 478 HB3 0.01 0.06 -0.05 -0.04 1.80 1.78 2db3D1 ARG 478 HG2 -0.10 0.05 -0.09 -0.04 1.67 1.49 2db3D1 ARG 478 HG3 -0.09 -0.01 -0.00 -0.04 1.67 1.53 2db3D1 ARG 478 HD2 -1.57 0.03 -0.06 -0.04 3.22 1.57 2db3D1 ARG 478 HD3 -0.28 -0.05 -0.04 -0.04 3.22 2.81 2db3D1 SER 479 H -0.02 0.15 -0.32 -0.55 8.46 7.73 2db3D1 SER 479 HA 0.07 0.09 0.43 -0.75 4.49 4.33 2db3D1 SER 479 HB2 -0.05 0.08 0.12 -0.04 3.95 4.05 2db3D1 SER 479 HB3 0.00 0.03 -0.02 -0.04 3.93 3.89 2db3D1 LYS 480 H -0.13 0.46 -0.11 -0.55 8.42 8.09 2db3D1 LYS 480 HA -0.10 0.01 0.33 -0.75 4.32 3.81 2db3D1 LYS 480 HB2 -0.45 0.12 0.15 -0.04 1.87 1.65 2db3D1 LYS 480 HB3 -0.53 0.03 -0.02 -0.04 1.79 1.23 2db3D1 LYS 480 HG2 -0.36 -0.02 -0.01 -0.04 1.46 1.04 2db3D1 LYS 480 HG3 -0.72 -0.05 -0.08 -0.04 1.46 0.57 2db3D1 LYS 480 HD2 -0.06 0.01 -0.12 -0.04 1.69 1.48 2db3D1 LYS 480 HD3 -0.11 -0.02 0.07 -0.04 1.68 1.57 2db3D1 LYS 480 HE2 -0.39 -0.01 -0.03 -0.04 2.99 2.52 2db3D1 LYS 480 HE3 -0.80 -0.03 -0.07 -0.04 2.99 2.05 2db3D1 LEU 481 H 0.18 0.64 -0.19 -0.55 8.37 8.45 2db3D1 LEU 481 HA 0.30 0.00 0.28 -0.75 4.35 4.18 2db3D1 LEU 481 HB2 0.48 0.03 0.02 -0.04 1.64 2.13 2db3D1 LEU 481 HB3 0.20 0.11 0.06 -0.04 1.64 1.97 2db3D1 LEU 481 HG 0.28 -0.08 -0.09 -0.04 1.64 1.71 2db3D1 LEU 481 HD13 0.01 -0.00 -0.13 -0.04 0.93 0.77 2db3D1 LEU 481 HD23 -0.01 0.00 -0.11 -0.04 0.89 0.74 2db3D1 ILE 482 H 0.11 0.54 -0.12 -0.55 8.25 8.23 2db3D1 ILE 482 HA -0.03 0.02 0.35 -0.75 4.18 3.76 2db3D1 ILE 482 HB 0.13 0.05 0.16 -0.04 1.89 2.20 2db3D1 ILE 482 HG12 0.17 0.00 -0.01 -0.04 1.49 1.61 2db3D1 ILE 482 HG13 0.18 0.09 0.07 -0.04 1.21 1.50 2db3D1 ILE 482 HG23 0.21 0.00 -0.11 -0.04 0.93 0.99 2db3D1 ILE 482 HD13 0.37 -0.02 -0.04 -0.04 0.88 1.15 2db3D1 GLU 483 H 0.07 0.59 -0.28 -0.55 8.60 8.43 2db3D1 GLU 483 HA 0.07 -0.01 0.33 -0.75 4.29 3.92 2db3D1 GLU 483 HB2 0.02 0.03 0.09 -0.04 2.09 2.19 2db3D1 GLU 483 HB3 0.03 0.13 0.17 -0.04 1.99 2.29 2db3D1 GLU 483 HG2 0.03 0.01 -0.08 -0.04 2.34 2.26 2db3D1 GLU 483 HG3 0.02 -0.04 -0.00 -0.04 2.34 2.28 2db3D1 ILE 484 H 0.11 0.57 -0.03 -0.55 8.25 8.35 2db3D1 ILE 484 HA 0.12 -0.01 0.36 -0.75 4.18 3.90 2db3D1 ILE 484 HB 0.16 0.05 0.08 -0.04 1.89 2.14 2db3D1 ILE 484 HG12 0.22 -0.04 -0.03 -0.04 1.49 1.60 2db3D1 ILE 484 HG13 0.16 0.12 0.05 -0.04 1.21 1.50 2db3D1 ILE 484 HG23 0.25 0.00 -0.13 -0.04 0.93 1.01 2db3D1 ILE 484 HD13 0.44 -0.04 -0.14 -0.04 0.88 1.09 2db3D1 LEU 485 H 0.01 0.65 -0.12 -0.55 8.37 8.36 2db3D1 LEU 485 HA 0.01 0.24 0.32 -0.75 4.35 4.17 2db3D1 LEU 485 HB2 -0.44 0.01 0.02 -0.04 1.64 1.19 2db3D1 LEU 485 HB3 -0.62 -0.04 -0.09 -0.04 1.64 0.85 2db3D1 LEU 485 HG -0.13 0.02 -0.07 -0.04 1.64 1.42 2db3D1 LEU 485 HD13 -0.44 -0.04 -0.14 -0.04 0.93 0.27 2db3D1 LEU 485 HD23 -0.09 0.01 -0.06 -0.04 0.89 0.71 2db3D1 SER 486 H 0.12 0.78 -0.12 -0.55 8.46 8.69 2db3D1 SER 486 HA 0.36 0.00 0.36 -0.75 4.49 4.45 2db3D1 SER 486 HB2 0.14 0.09 0.13 -0.04 3.95 4.26 2db3D1 SER 486 HB3 0.14 -0.09 -0.02 -0.04 3.93 3.92 2db3D1 GLU 487 H 0.11 0.41 -0.27 -0.55 8.60 8.29 2db3D1 GLU 487 HA 0.07 -0.03 0.48 -0.75 4.29 4.05 2db3D1 GLU 487 HB2 0.07 -0.05 0.08 -0.04 2.09 2.15 2db3D1 GLU 487 HB3 0.09 0.17 0.14 -0.04 1.99 2.34 2db3D1 GLU 487 HG2 0.06 0.03 -0.22 -0.04 2.34 2.17 2db3D1 GLU 487 HG3 0.05 -0.07 0.03 -0.04 2.34 2.31 2db3D1 GLN 488 H 0.11 0.49 -0.23 -0.55 8.47 8.29 2db3D1 GLN 488 HA 0.09 -0.01 0.44 -0.75 4.36 4.12 2db3D1 GLN 488 HB2 0.06 0.08 -0.12 -0.04 2.15 2.12 2db3D1 GLN 488 HB3 0.08 -0.03 -0.01 -0.04 2.02 2.01 2db3D1 GLN 488 HG2 0.07 0.04 -0.26 -0.04 2.40 2.21 2db3D1 GLN 488 HG3 0.05 -0.05 0.07 -0.04 2.39 2.42 2db3D1 GLN 488 HE21 0.01 -0.04 -0.02 -0.04 6.97 6.88 2db3D1 GLN 488 HE22 0.03 0.02 -0.02 -0.04 7.69 7.68 2db3D1 ALA 489 H 0.11 -0.00 0.15 -0.55 8.40 8.10 2db3D1 ALA 489 HA 0.08 0.22 1.11 -0.75 4.34 5.00 2db3D1 ALA 489 HB3 0.16 0.04 -0.01 -0.04 1.41 1.56 2db3D1 ASP 490 H 0.07 -0.02 0.13 -0.55 8.40 8.03 2db3D1 ASP 490 HA 0.03 0.06 0.54 -0.75 4.63 4.51 2db3D1 ASP 490 HB2 0.02 -0.02 0.15 -0.04 2.71 2.81 2db3D1 ASP 490 HB3 -0.03 0.07 0.09 -0.04 2.70 2.80 2db3D1 GLY 491 H -0.07 0.24 0.39 -0.55 8.43 8.45 2db3D1 GLY 491 HA2 -0.13 0.00 0.38 -0.51 4.01 3.75 2db3D1 GLY 491 HA3 0.01 0.15 0.66 -0.51 4.01 4.32 2db3D1 THR 492 H 0.21 0.44 0.22 -0.55 8.28 8.61 2db3D1 THR 492 HA 0.13 0.28 1.31 -0.75 4.39 5.36 2db3D1 THR 492 HB 0.07 -0.03 -0.02 -0.04 4.32 4.29 2db3D1 THR 492 HG23 0.09 0.03 -0.13 -0.04 1.22 1.17 2db3D1 ILE 493 H -0.07 0.65 0.42 -0.55 8.25 8.70 2db3D1 ILE 493 HA -0.34 0.20 1.02 -0.75 4.18 4.30 2db3D1 ILE 493 HB -0.34 0.02 -0.03 -0.04 1.89 1.50 2db3D1 ILE 493 HG12 -0.95 -0.08 -0.25 -0.04 1.49 0.16 2db3D1 ILE 493 HG13 -0.54 0.03 -0.04 -0.04 1.21 0.61 2db3D1 ILE 493 HG23 -0.15 0.02 0.07 -0.04 0.93 0.83 2db3D1 ILE 493 HD13 -0.37 -0.02 -0.11 -0.04 0.88 0.34 2db3D1 VAL 494 H -0.32 0.82 0.37 -0.55 8.24 8.56 2db3D1 VAL 494 HA -0.21 0.23 1.10 -0.75 4.13 4.50 2db3D1 VAL 494 HB -0.19 -0.08 0.13 -0.04 2.12 1.94 2db3D1 VAL 494 HG13 -0.13 -0.02 -0.14 -0.04 0.97 0.64 2db3D1 VAL 494 HG23 -0.15 0.03 -0.23 -0.04 0.95 0.56 2db3D1 PHE 495 H 0.02 0.66 0.37 -0.55 8.34 8.84 2db3D1 PHE 495 HA -0.05 0.29 0.86 -0.75 4.62 4.97 2db3D1 PHE 495 HB2 -0.03 0.00 0.17 -0.04 3.15 3.25 2db3D1 PHE 495 HB3 -0.01 -0.03 -0.05 -0.04 3.06 2.93 2db3D1 PHE 495 HD2 -0.04 -0.01 -0.30 -0.04 7.28 6.89 2db3D1 PHE 495 HE2 -0.04 0.02 -0.27 -0.04 7.38 7.05 2db3D1 PHE 495 HZ -0.04 0.27 -0.17 -0.04 7.32 7.34 2db3D1 VAL 496 H 0.10 0.76 0.47 -0.55 8.24 9.01 2db3D1 VAL 496 HA 0.11 0.10 0.87 -0.75 4.13 4.46 2db3D1 VAL 496 HB -0.02 -0.17 0.02 -0.04 2.12 1.90 2db3D1 VAL 496 HG13 -0.22 0.05 -0.25 -0.04 0.97 0.51 2db3D1 VAL 496 HG23 -0.04 0.04 -0.21 -0.04 0.95 0.70 2db3D1 GLU 497 H 0.07 0.12 0.13 -0.55 8.60 8.38 2db3D1 GLU 497 HA 0.05 0.16 0.66 -0.75 4.29 4.41 2db3D1 GLU 497 HB2 0.05 0.11 0.06 -0.04 2.09 2.28 2db3D1 GLU 497 HB3 0.04 -0.05 0.14 -0.04 1.99 2.08 2db3D1 GLU 497 HG2 0.02 0.05 -0.00 -0.04 2.34 2.37 2db3D1 GLU 497 HG3 0.01 -0.05 -0.19 -0.04 2.34 2.07 2db3D1 THR 498 H 0.00 0.08 0.07 -0.55 8.28 7.89 2db3D1 THR 498 HA -0.01 0.35 1.18 -0.75 4.39 5.16 2db3D1 THR 498 HB -0.03 -0.02 0.15 -0.04 4.32 4.38 2db3D1 THR 498 HG23 -0.01 0.06 -0.07 -0.04 1.22 1.16 2db3D1 LYS 499 H -0.04 0.26 0.19 -0.55 8.42 8.28 2db3D1 LYS 499 HA -0.21 0.08 0.42 -0.75 4.32 3.86 2db3D1 LYS 499 HB2 -0.05 0.07 0.16 -0.04 1.87 2.00 2db3D1 LYS 499 HB3 -0.15 0.06 0.00 -0.04 1.79 1.66 2db3D1 LYS 499 HG2 0.11 -0.16 0.15 -0.04 1.46 1.51 2db3D1 LYS 499 HG3 0.02 0.07 0.14 -0.04 1.46 1.65 2db3D1 LYS 499 HD2 0.13 -0.03 -0.01 -0.04 1.69 1.74 2db3D1 LYS 499 HD3 0.08 -0.01 0.09 -0.04 1.68 1.80 2db3D1 LYS 499 HE2 0.02 0.03 0.07 -0.04 2.99 3.06 2db3D1 LYS 499 HE3 0.01 0.00 0.04 -0.04 2.99 3.00 2db3D1 ARG 500 H -0.08 0.09 -0.11 -0.55 8.46 7.81 2db3D1 ARG 500 HA -0.09 0.15 0.40 -0.75 4.34 4.05 2db3D1 ARG 500 HB2 -0.05 -0.07 0.07 -0.04 1.90 1.81 2db3D1 ARG 500 HB3 -0.05 0.10 -0.05 -0.04 1.80 1.76 2db3D1 ARG 500 HG2 -0.03 0.08 0.02 -0.04 1.67 1.71 2db3D1 ARG 500 HG3 -0.04 -0.07 0.03 -0.04 1.67 1.54 2db3D1 ARG 500 HD2 -0.02 0.06 0.01 -0.04 3.22 3.23 2db3D1 ARG 500 HD3 -0.03 -0.03 0.02 -0.04 3.22 3.14 2db3D1 GLY 501 H -0.06 -0.03 -0.33 -0.55 8.43 7.47 2db3D1 GLY 501 HA2 0.01 0.10 0.35 -0.51 4.01 3.97 2db3D1 GLY 501 HA3 -0.03 -0.02 0.25 -0.51 4.01 3.71 2db3D1 ALA 502 H -0.11 0.45 -0.25 -0.55 8.40 7.94 2db3D1 ALA 502 HA -0.08 0.06 0.24 -0.75 4.34 3.81 2db3D1 ALA 502 HB3 -0.09 0.02 -0.12 -0.04 1.41 1.18 2db3D1 ASP 503 H -0.20 0.42 -0.23 -0.55 8.40 7.84 2db3D1 ASP 503 HA 0.07 0.05 0.30 -0.75 4.63 4.29 2db3D1 ASP 503 HB2 -0.14 0.02 0.07 -0.04 2.71 2.62 2db3D1 ASP 503 HB3 0.03 0.05 0.01 -0.04 2.70 2.75 2db3D1 PHE 504 H 0.13 0.53 -0.11 -0.55 8.34 8.35 2db3D1 PHE 504 HA 0.02 0.03 0.38 -0.75 4.62 4.29 2db3D1 PHE 504 HB2 -0.02 0.01 0.10 -0.04 3.15 3.20 2db3D1 PHE 504 HB3 -0.06 0.00 0.16 -0.04 3.06 3.13 2db3D1 PHE 504 HD2 -0.03 -0.01 -0.04 -0.04 7.28 7.16 2db3D1 PHE 504 HE2 -0.05 0.01 -0.05 -0.04 7.38 7.25 2db3D1 PHE 504 HZ 0.08 0.03 -0.04 -0.04 7.32 7.35 2db3D1 LEU 505 H 0.06 0.58 -0.10 -0.55 8.37 8.37 2db3D1 LEU 505 HA -0.20 -0.02 0.26 -0.75 4.35 3.64 2db3D1 LEU 505 HB2 -0.18 -0.04 0.07 -0.04 1.64 1.45 2db3D1 LEU 505 HB3 -0.14 0.08 0.03 -0.04 1.64 1.57 2db3D1 LEU 505 HG -0.16 0.05 -0.19 -0.04 1.64 1.30 2db3D1 LEU 505 HD13 -0.18 -0.02 -0.01 -0.04 0.93 0.68 2db3D1 LEU 505 HD23 -0.59 -0.02 -0.10 -0.04 0.89 0.13 2db3D1 ALA 506 H -0.03 0.49 -0.34 -0.55 8.40 7.96 2db3D1 ALA 506 HA -0.02 0.04 0.34 -0.75 4.34 3.95 2db3D1 ALA 506 HB3 0.01 0.01 -0.05 -0.04 1.41 1.33 2db3D1 SER 507 H -0.04 0.54 -0.04 -0.55 8.46 8.38 2db3D1 SER 507 HA -0.02 0.05 0.42 -0.75 4.49 4.19 2db3D1 SER 507 HB2 -0.03 -0.03 0.06 -0.04 3.95 3.91 2db3D1 SER 507 HB3 -0.01 -0.03 0.11 -0.04 3.93 3.97 2db3D1 PHE 508 H -0.12 0.62 -0.08 -0.55 8.34 8.20 2db3D1 PHE 508 HA -0.19 -0.01 0.33 -0.75 4.62 3.99 2db3D1 PHE 508 HB2 -0.71 -0.03 0.01 -0.04 3.15 2.38 2db3D1 PHE 508 HB3 -0.27 0.09 0.08 -0.04 3.06 2.92 2db3D1 PHE 508 HD2 -0.14 0.02 -0.18 -0.04 7.28 6.94 2db3D1 PHE 508 HE2 0.06 0.01 -0.08 -0.04 7.38 7.33 2db3D1 PHE 508 HZ 0.06 -0.01 -0.07 -0.04 7.32 7.26 2db3D1 LEU 509 H 0.13 0.58 -0.18 -0.55 8.37 8.35 2db3D1 LEU 509 HA 0.22 0.03 0.39 -0.75 4.35 4.23 2db3D1 LEU 509 HB2 0.07 0.11 0.05 -0.04 1.64 1.83 2db3D1 LEU 509 HB3 0.14 -0.02 -0.04 -0.04 1.64 1.68 2db3D1 LEU 509 HG 0.09 0.11 0.03 -0.04 1.64 1.83 2db3D1 LEU 509 HD13 -0.09 -0.02 -0.13 -0.04 0.93 0.64 2db3D1 LEU 509 HD23 0.09 -0.02 -0.09 -0.04 0.89 0.83 2db3D1 SER 510 H 0.03 0.41 -0.24 -0.55 8.46 8.12 2db3D1 SER 510 HA 0.05 0.26 0.58 -0.75 4.49 4.62 2db3D1 SER 510 HB2 -0.00 0.09 0.30 -0.04 3.95 4.31 2db3D1 SER 510 HB3 -0.01 -0.07 0.04 -0.04 3.93 3.85 2db3D1 GLU 511 H -0.08 0.51 -0.09 -0.55 8.60 8.40 2db3D1 GLU 511 HA -0.07 0.09 0.59 -0.75 4.29 4.15 2db3D1 GLU 511 HB2 -0.12 -0.04 0.12 -0.04 2.09 2.01 2db3D1 GLU 511 HB3 -0.08 -0.06 0.10 -0.04 1.99 1.91 2db3D1 GLU 511 HG2 -0.14 0.34 0.17 -0.04 2.34 2.67 2db3D1 GLU 511 HG3 -0.28 0.05 0.01 -0.04 2.34 2.07 2db3D1 LYS 512 H -0.05 0.30 -0.67 -0.55 8.42 7.45 2db3D1 LYS 512 HA -0.11 0.13 0.83 -0.75 4.32 4.41 2db3D1 LYS 512 HB2 0.05 0.04 0.11 -0.04 1.87 2.03 2db3D1 LYS 512 HB3 0.08 -0.04 0.16 -0.04 1.79 1.96 2db3D1 LYS 512 HG2 -0.15 0.01 0.00 -0.04 1.46 1.28 2db3D1 LYS 512 HG3 -0.42 0.05 -0.12 -0.04 1.46 0.93 2db3D1 LYS 512 HD2 -0.13 -0.04 -0.06 -0.04 1.69 1.42 2db3D1 LYS 512 HD3 0.04 -0.01 -0.01 -0.04 1.68 1.67 2db3D1 LYS 512 HE2 -0.11 0.01 -0.03 -0.04 2.99 2.82 2db3D1 LYS 512 HE3 -0.55 -0.01 -0.05 -0.04 2.99 2.34 2db3D1 GLU 513 H -0.09 0.22 -0.53 -0.55 8.60 7.65 2db3D1 GLU 513 HA -0.12 0.07 0.26 -0.75 4.29 3.74 2db3D1 GLU 513 HB2 -0.31 0.20 -0.08 -0.04 2.09 1.85 2db3D1 GLU 513 HB3 -0.21 -0.05 0.17 -0.04 1.99 1.87 2db3D1 GLU 513 HG2 -0.10 -0.00 -0.04 -0.04 2.34 2.16 2db3D1 GLU 513 HG3 -0.12 -0.00 -0.33 -0.04 2.34 1.85 2db3D1 PHE 514 H 0.07 0.49 -0.02 -0.55 8.34 8.33 2db3D1 PHE 514 HA 0.01 0.22 0.86 -0.75 4.62 4.96 2db3D1 PHE 514 HB2 0.02 -0.03 -0.07 -0.04 3.15 3.02 2db3D1 PHE 514 HB3 0.03 -0.03 -0.15 -0.04 3.06 2.87 2db3D1 PHE 514 HD2 0.03 0.00 -0.09 -0.04 7.28 7.18 2db3D1 PHE 514 HE2 0.04 0.03 -0.18 -0.04 7.38 7.23 2db3D1 PHE 514 HZ 0.05 -0.02 -0.12 -0.04 7.32 7.18 2db3D1 PRO 515 HA 0.05 0.06 0.53 -0.51 4.44 4.57 2db3D1 PRO 515 HB2 0.06 -0.24 0.31 -0.04 2.28 2.36 2db3D1 PRO 515 HB3 0.03 0.17 0.20 -0.04 2.02 2.37 2db3D1 PRO 515 HG2 0.02 0.07 0.10 -0.04 2.03 2.18 2db3D1 PRO 515 HG3 0.01 0.05 0.04 -0.04 2.03 2.08 2db3D1 PRO 515 HD2 0.12 0.03 0.17 -0.04 3.68 3.96 2db3D1 PRO 515 HD3 0.03 0.32 0.17 -0.04 3.65 4.14 2db3D1 THR 516 H 0.06 0.28 0.35 -0.55 8.28 8.43 2db3D1 THR 516 HA 0.08 0.23 1.13 -0.75 4.39 5.07 2db3D1 THR 516 HB 0.05 0.03 0.03 -0.04 4.32 4.40 2db3D1 THR 516 HG23 0.01 -0.01 -0.08 -0.04 1.22 1.10 2db3D1 THR 517 H 0.03 0.63 0.40 -0.55 8.28 8.80 2db3D1 THR 517 HA 0.01 0.13 0.72 -0.75 4.39 4.50 2db3D1 THR 517 HB 0.03 0.07 -0.11 -0.04 4.32 4.27 2db3D1 THR 517 HG23 0.04 0.01 -0.14 -0.04 1.22 1.10 2db3D1 SER 518 H -0.02 0.20 0.21 -0.55 8.46 8.30 2db3D1 SER 518 HA -0.05 0.25 0.98 -0.75 4.49 4.90 2db3D1 SER 518 HB2 0.10 -0.02 -0.01 -0.04 3.95 3.99 2db3D1 SER 518 HB3 0.03 0.06 -0.24 -0.04 3.93 3.73 2db3D1 ILE 519 H -0.01 0.61 0.29 -0.55 8.25 8.58 2db3D1 ILE 519 HA -0.15 0.11 0.74 -0.75 4.18 4.13 2db3D1 ILE 519 HB -0.08 0.13 -0.11 -0.04 1.89 1.79 2db3D1 ILE 519 HG12 -0.03 -0.14 -0.23 -0.04 1.49 1.05 2db3D1 ILE 519 HG13 -0.08 -0.03 0.07 -0.04 1.21 1.14 2db3D1 ILE 519 HG23 -0.08 -0.00 -0.02 -0.04 0.93 0.79 2db3D1 ILE 519 HD13 -0.04 0.04 -0.07 -0.04 0.88 0.77 2db3D1 HIS 520 H -0.32 0.40 0.17 -0.55 8.41 8.12 2db3D1 HIS 520 HA 0.00 0.03 0.45 -0.75 4.63 4.36 2db3D1 HIS 520 HB2 0.01 -0.16 0.19 -0.04 3.26 3.26 2db3D1 HIS 520 HB3 -0.01 0.17 0.03 -0.04 3.20 3.35 2db3D1 HIS 520 HD2 -0.02 0.07 -0.38 -0.04 6.97 6.59 2db3D1 HIS 520 HE1 0.01 0.15 -0.28 -0.04 7.75 7.58 2db3D1 GLY 521 H 0.15 0.10 0.17 -0.55 8.43 8.30 2db3D1 GLY 521 HA2 0.04 0.13 0.43 -0.51 4.01 4.10 2db3D1 GLY 521 HA3 0.08 0.04 0.37 -0.51 4.01 3.99 2db3D1 ASP 522 H 0.51 -0.04 -0.28 -0.55 8.40 8.04 2db3D1 ASP 522 HA 0.09 0.22 0.65 -0.75 4.63 4.83 2db3D1 ASP 522 HB2 0.29 -0.08 -0.02 -0.04 2.71 2.85 2db3D1 ASP 522 HB3 0.15 0.08 0.11 -0.04 2.70 2.99 2db3D1 ARG 523 H -0.14 0.28 -0.37 -0.55 8.46 7.68 2db3D1 ARG 523 HA -0.06 0.20 0.85 -0.75 4.34 4.58 2db3D1 ARG 523 HB2 -0.25 0.04 -0.03 -0.04 1.90 1.61 2db3D1 ARG 523 HB3 -0.17 -0.02 0.06 -0.04 1.80 1.63 2db3D1 ARG 523 HG2 -0.38 0.04 -0.21 -0.04 1.67 1.09 2db3D1 ARG 523 HG3 -1.49 -0.17 -0.13 -0.04 1.67 -0.16 2db3D1 ARG 523 HD2 -0.28 -0.07 -0.27 -0.04 3.22 2.56 2db3D1 ARG 523 HD3 -0.25 0.12 -0.14 -0.04 3.22 2.90 2db3D1 LEU 524 H -0.07 0.13 0.15 -0.55 8.37 8.04 2db3D1 LEU 524 HA -0.03 0.16 0.49 -0.75 4.35 4.21 2db3D1 LEU 524 HB2 -0.10 -0.06 0.21 -0.04 1.64 1.65 2db3D1 LEU 524 HB3 -0.14 -0.12 0.11 -0.04 1.64 1.45 2db3D1 LEU 524 HG -0.04 0.06 0.10 -0.04 1.64 1.72 2db3D1 LEU 524 HD13 -0.02 0.02 0.05 -0.04 0.93 0.93 2db3D1 LEU 524 HD23 -0.07 0.03 0.06 -0.04 0.89 0.87 2db3D1 GLN 525 H -0.01 0.25 0.24 -0.55 8.47 8.40 2db3D1 GLN 525 HA 0.02 0.03 0.37 -0.75 4.36 4.03 2db3D1 GLN 525 HB2 0.14 -0.05 0.22 -0.04 2.15 2.42 2db3D1 GLN 525 HB3 0.19 0.21 0.16 -0.04 2.02 2.53 2db3D1 GLN 525 HG2 0.42 0.21 -0.01 -0.04 2.40 2.98 2db3D1 GLN 525 HG3 0.42 0.01 -0.09 -0.04 2.39 2.69 2db3D1 GLN 525 HE21 -0.01 -0.12 -0.05 -0.04 6.97 6.75 2db3D1 GLN 525 HE22 0.14 0.09 -0.04 -0.04 7.69 7.84 2db3D1 SER 526 H -0.32 0.03 -0.37 -0.55 8.46 7.25 2db3D1 SER 526 HA -0.64 0.15 0.39 -0.75 4.49 3.64 2db3D1 SER 526 HB2 -0.48 -0.06 0.08 -0.04 3.95 3.45 2db3D1 SER 526 HB3 -0.29 0.04 -0.06 -0.04 3.93 3.58 2db3D1 GLN 527 H -0.15 0.04 -0.11 -0.55 8.47 7.70 2db3D1 GLN 527 HA -0.08 0.10 0.44 -0.75 4.36 4.07 2db3D1 GLN 527 HB2 -0.10 -0.00 0.10 -0.04 2.15 2.11 2db3D1 GLN 527 HB3 -0.08 0.05 0.08 -0.04 2.02 2.04 2db3D1 GLN 527 HG2 -0.06 0.10 0.06 -0.04 2.40 2.45 2db3D1 GLN 527 HG3 -0.10 -0.09 0.12 -0.04 2.39 2.28 2db3D1 GLN 527 HE21 -0.02 0.04 0.04 -0.04 6.97 6.99 2db3D1 GLN 527 HE22 -0.03 0.06 0.04 -0.04 7.69 7.72 2db3D1 ARG 528 H -0.09 0.49 -0.35 -0.55 8.46 7.96 2db3D1 ARG 528 HA -0.08 0.05 0.46 -0.75 4.34 4.01 2db3D1 ARG 528 HB2 -0.03 0.14 0.12 -0.04 1.90 2.09 2db3D1 ARG 528 HB3 -0.04 -0.07 -0.04 -0.04 1.80 1.60 2db3D1 ARG 528 HG2 -0.11 -0.17 0.04 -0.04 1.67 1.39 2db3D1 ARG 528 HG3 -0.11 0.06 -0.14 -0.04 1.67 1.45 2db3D1 ARG 528 HD2 -0.04 0.12 -0.07 -0.04 3.22 3.19 2db3D1 ARG 528 HD3 -0.01 0.00 -0.14 -0.04 3.22 3.03 2db3D1 GLU 529 H -0.02 0.51 -0.09 -0.55 8.60 8.45 2db3D1 GLU 529 HA 0.01 0.00 0.45 -0.75 4.29 4.00 2db3D1 GLU 529 HB2 0.07 0.12 0.16 -0.04 2.09 2.40 2db3D1 GLU 529 HB3 0.08 0.03 0.01 -0.04 1.99 2.07 2db3D1 GLU 529 HG2 0.04 -0.07 -0.01 -0.04 2.34 2.25 2db3D1 GLU 529 HG3 0.08 0.05 0.07 -0.04 2.34 2.50 2db3D1 GLN 530 H -0.03 0.47 -0.19 -0.55 8.47 8.19 2db3D1 GLN 530 HA 0.01 0.05 0.38 -0.75 4.36 4.04 2db3D1 GLN 530 HB2 -0.03 0.07 0.10 -0.04 2.15 2.26 2db3D1 GLN 530 HB3 -0.03 0.04 0.14 -0.04 2.02 2.13 2db3D1 GLN 530 HG2 -0.01 -0.01 -0.02 -0.04 2.40 2.31 2db3D1 GLN 530 HG3 -0.00 -0.01 -0.16 -0.04 2.39 2.17 2db3D1 GLN 530 HE21 0.01 0.04 -0.01 -0.04 6.97 6.96 2db3D1 GLN 530 HE22 0.01 -0.01 -0.02 -0.04 7.69 7.63 2db3D1 ALA 531 H -0.02 0.49 -0.25 -0.55 8.40 8.07 2db3D1 ALA 531 HA 0.01 0.01 0.37 -0.75 4.34 3.98 2db3D1 ALA 531 HB3 -0.04 0.01 0.07 -0.04 1.41 1.42 2db3D1 LEU 532 H -0.00 0.39 -0.19 -0.55 8.37 8.01 2db3D1 LEU 532 HA 0.04 0.03 0.33 -0.75 4.35 4.00 2db3D1 LEU 532 HB2 0.01 0.12 0.08 -0.04 1.64 1.81 2db3D1 LEU 532 HB3 0.03 -0.00 -0.01 -0.04 1.64 1.61 2db3D1 LEU 532 HG -0.03 0.10 0.02 -0.04 1.64 1.69 2db3D1 LEU 532 HD13 -0.02 -0.03 -0.06 -0.04 0.93 0.79 2db3D1 LEU 532 HD23 -0.07 -0.01 -0.11 -0.04 0.89 0.66 2db3D1 ARG 533 H 0.03 0.35 -0.41 -0.55 8.46 7.88 2db3D1 ARG 533 HA 0.04 0.04 0.40 -0.75 4.34 4.06 2db3D1 ARG 533 HB2 0.03 0.06 0.10 -0.04 1.90 2.06 2db3D1 ARG 533 HB3 0.03 0.15 0.20 -0.04 1.80 2.14 2db3D1 ARG 533 HG2 0.02 -0.01 -0.15 -0.04 1.67 1.49 2db3D1 ARG 533 HG3 0.03 -0.01 0.01 -0.04 1.67 1.66 2db3D1 ARG 533 HD2 0.03 -0.02 -0.01 -0.04 3.22 3.17 2db3D1 ARG 533 HD3 0.02 -0.00 -0.03 -0.04 3.22 3.17 2db3D1 ASP 534 H 0.04 0.65 -0.00 -0.55 8.40 8.54 2db3D1 ASP 534 HA 0.03 0.02 0.35 -0.75 4.63 4.27 2db3D1 ASP 534 HB2 0.06 0.08 0.04 -0.04 2.71 2.84 2db3D1 ASP 534 HB3 0.04 -0.06 -0.08 -0.04 2.70 2.56 2db3D1 PHE 535 H 0.18 0.47 -0.33 -0.55 8.34 8.11 2db3D1 PHE 535 HA -0.01 0.23 0.40 -0.75 4.62 4.50 2db3D1 PHE 535 HB2 -0.02 -0.01 -0.07 -0.04 3.15 3.00 2db3D1 PHE 535 HB3 -0.02 0.01 -0.00 -0.04 3.06 3.02 2db3D1 PHE 535 HD2 -0.02 -0.04 -0.40 -0.04 7.28 6.78 2db3D1 PHE 535 HE2 -0.02 0.06 -0.34 -0.04 7.38 7.05 2db3D1 PHE 535 HZ -0.02 -0.03 -0.48 -0.04 7.32 6.75 2db3D1 LYS 536 H 0.13 0.55 -0.16 -0.55 8.42 8.40 2db3D1 LYS 536 HA 0.02 -0.04 0.44 -0.75 4.32 4.00 2db3D1 LYS 536 HB2 0.05 0.10 0.20 -0.04 1.87 2.18 2db3D1 LYS 536 HB3 0.03 -0.03 0.03 -0.04 1.79 1.77 2db3D1 LYS 536 HG2 0.09 -0.13 0.04 -0.04 1.46 1.42 2db3D1 LYS 536 HG3 0.11 0.18 0.08 -0.04 1.46 1.79 2db3D1 LYS 536 HD2 0.04 0.00 -0.06 -0.04 1.69 1.63 2db3D1 LYS 536 HD3 0.03 0.00 -0.00 -0.04 1.68 1.67 2db3D1 LYS 536 HE2 0.04 -0.01 -0.04 -0.04 2.99 2.94 2db3D1 LYS 536 HE3 0.04 -0.06 -0.09 -0.04 2.99 2.84 2db3D1 ASN 537 H 0.00 0.49 -0.15 -0.55 8.53 8.33 2db3D1 ASN 537 HA -0.03 0.16 0.68 -0.75 4.76 4.82 2db3D1 ASN 537 HB2 -0.01 -0.03 0.16 -0.04 2.88 2.96 2db3D1 ASN 537 HB3 -0.00 -0.01 0.07 -0.04 2.79 2.80 2db3D1 ASN 537 HD21 0.01 -0.10 -0.11 -0.04 7.03 6.79 2db3D1 ASN 537 HD22 0.01 -0.02 -0.08 -0.04 7.74 7.61 2db3D1 GLY 538 H -0.11 0.31 -0.62 -0.55 8.43 7.46 2db3D1 GLY 538 HA2 -0.16 0.12 0.32 -0.51 4.01 3.77 2db3D1 GLY 538 HA3 -0.08 0.05 0.42 -0.51 4.01 3.89 2db3D1 SER 539 H -0.02 0.10 -0.36 -0.55 8.46 7.63 2db3D1 SER 539 HA -0.01 0.04 0.39 -0.75 4.49 4.15 2db3D1 SER 539 HB2 0.00 -0.05 0.03 -0.04 3.95 3.89 2db3D1 SER 539 HB3 -0.00 0.00 0.05 -0.04 3.93 3.94 2db3D1 MET 540 H 0.00 0.45 -0.34 -0.55 8.47 8.04 2db3D1 MET 540 HA 0.05 0.12 0.69 -0.75 4.52 4.63 2db3D1 MET 540 HB2 0.14 -0.06 -0.44 -0.04 2.15 1.75 2db3D1 MET 540 HB3 0.16 0.02 -0.22 -0.04 2.03 1.95 2db3D1 MET 540 HG2 0.05 -0.06 -0.30 -0.04 2.63 2.27 2db3D1 MET 540 HG3 0.07 -0.07 -0.19 -0.04 2.56 2.32 2db3D1 MET 540 HE3 0.02 -0.02 -0.12 -0.04 2.10 1.94 2db3D1 LYS 541 H 0.08 0.51 0.24 -0.55 8.42 8.70 2db3D1 LYS 541 HA -0.10 0.17 0.95 -0.75 4.32 4.59 2db3D1 LYS 541 HB2 0.10 0.06 0.07 -0.04 1.87 2.07 2db3D1 LYS 541 HB3 0.05 -0.10 0.01 -0.04 1.79 1.71 2db3D1 LYS 541 HG2 0.02 0.06 -0.10 -0.04 1.46 1.39 2db3D1 LYS 541 HG3 0.04 -0.03 0.02 -0.04 1.46 1.44 2db3D1 LYS 541 HD2 -0.03 -0.15 0.08 -0.04 1.69 1.55 2db3D1 LYS 541 HD3 -0.08 0.13 -0.11 -0.04 1.68 1.58 2db3D1 LYS 541 HE2 -0.02 0.09 -0.02 -0.04 2.99 3.00 2db3D1 LYS 541 HE3 -0.01 -0.09 0.02 -0.04 2.99 2.86 2db3D1 VAL 542 H 0.16 0.38 0.25 -0.55 8.24 8.49 2db3D1 VAL 542 HA 0.22 0.36 1.08 -0.75 4.13 5.03 2db3D1 VAL 542 HB 0.06 -0.08 -0.03 -0.04 2.12 2.03 2db3D1 VAL 542 HG13 -0.06 -0.02 -0.19 -0.04 0.97 0.67 2db3D1 VAL 542 HG23 0.05 0.04 -0.22 -0.04 0.95 0.78 2db3D1 LEU 543 H -0.10 0.67 0.31 -0.55 8.37 8.70 2db3D1 LEU 543 HA -0.14 0.23 0.95 -0.75 4.35 4.64 2db3D1 LEU 543 HB2 -1.14 0.06 -0.14 -0.04 1.64 0.38 2db3D1 LEU 543 HB3 -0.67 -0.06 0.11 -0.04 1.64 0.98 2db3D1 LEU 543 HG -0.45 0.03 -0.22 -0.04 1.64 0.96 2db3D1 LEU 543 HD13 -0.44 -0.02 -0.19 -0.04 0.93 0.23 2db3D1 LEU 543 HD23 -0.17 0.03 -0.28 -0.04 0.89 0.43 2db3D1 ILE 544 H -0.11 0.57 0.38 -0.55 8.25 8.54 2db3D1 ILE 544 HA -0.19 0.20 0.88 -0.75 4.18 4.32 2db3D1 ILE 544 HB -0.05 -0.07 0.11 -0.04 1.89 1.83 2db3D1 ILE 544 HG12 -0.06 0.14 -0.04 -0.04 1.49 1.49 2db3D1 ILE 544 HG13 -0.08 -0.04 -0.20 -0.04 1.21 0.85 2db3D1 ILE 544 HG23 -0.12 -0.01 -0.02 -0.04 0.93 0.74 2db3D1 ILE 544 HD13 -0.13 0.00 -0.23 -0.04 0.88 0.48 2db3D1 ALA 545 H -0.20 0.80 0.44 -0.55 8.40 8.89 2db3D1 ALA 545 HA -0.02 0.17 0.92 -0.75 4.34 4.66 2db3D1 ALA 545 HB3 -0.22 0.01 -0.08 -0.04 1.41 1.07 2db3D1 THR 546 H 0.08 0.22 0.29 -0.55 8.28 8.33 2db3D1 THR 546 HA 0.11 0.43 0.73 -0.75 4.39 4.91 2db3D1 THR 546 HB 0.07 0.00 0.17 -0.04 4.32 4.52 2db3D1 THR 546 HG23 0.04 0.01 -0.22 -0.04 1.22 1.00 2db3D1 SER 547 H 0.08 0.24 0.17 -0.55 8.46 8.41 2db3D1 SER 547 HA 0.05 0.18 0.39 -0.75 4.49 4.36 2db3D1 SER 547 HB2 0.01 0.01 0.12 -0.04 3.95 4.05 2db3D1 SER 547 HB3 -0.04 -0.01 0.17 -0.04 3.93 4.01 2db3D1 VAL 548 H 0.09 -0.01 -0.72 -0.55 8.24 7.04 2db3D1 VAL 548 HA 0.05 0.08 0.39 -0.75 4.13 3.90 2db3D1 VAL 548 HB 0.06 -0.09 0.06 -0.04 2.12 2.10 2db3D1 VAL 548 HG13 0.05 -0.01 -0.24 -0.04 0.97 0.74 2db3D1 VAL 548 HG23 0.03 0.01 -0.01 -0.04 0.95 0.94 2db3D1 ALA 549 H 0.19 0.35 -0.46 -0.55 8.40 7.93 2db3D1 ALA 549 HA 0.07 0.18 0.81 -0.75 4.34 4.65 2db3D1 ALA 549 HB3 0.05 0.03 -0.04 -0.04 1.41 1.41 2db3D1 SER 550 H 0.07 0.40 -0.18 -0.55 8.46 8.20 2db3D1 SER 550 HA 0.02 0.27 0.54 -0.75 4.49 4.57 2db3D1 SER 550 HB2 -0.27 0.02 0.03 -0.04 3.95 3.70 2db3D1 SER 550 HB3 -0.41 -0.08 0.07 -0.04 3.93 3.47 2db3D1 ARG 551 H 0.01 0.09 -0.20 -0.55 8.46 7.81 2db3D1 ARG 551 HA 0.07 0.28 1.01 -0.75 4.34 4.94 2db3D1 ARG 551 HB2 -0.07 -0.01 0.03 -0.04 1.90 1.80 2db3D1 ARG 551 HB3 -0.13 -0.02 0.02 -0.04 1.80 1.63 2db3D1 ARG 551 HG2 -0.51 0.08 -0.17 -0.04 1.67 1.02 2db3D1 ARG 551 HG3 -0.15 -0.06 -0.21 -0.04 1.67 1.20 2db3D1 ARG 551 HD2 -0.31 -0.03 -0.05 -0.04 3.22 2.78 2db3D1 ARG 551 HD3 -0.17 0.02 -0.02 -0.04 3.22 3.01 2db3D1 GLY 552 H 0.11 0.15 0.09 -0.55 8.43 8.23 2db3D1 GLY 552 HA2 0.07 -0.02 0.33 -0.51 4.01 3.88 2db3D1 GLY 552 HA3 0.04 -0.02 0.17 -0.51 4.01 3.70 2db3D1 LEU 553 H 0.05 0.32 -0.38 -0.55 8.37 7.82 2db3D1 LEU 553 HA 0.03 -0.05 0.34 -0.75 4.35 3.91 2db3D1 LEU 553 HB2 0.05 0.10 -0.06 -0.04 1.64 1.70 2db3D1 LEU 553 HB3 0.03 0.02 -0.11 -0.04 1.64 1.54 2db3D1 LEU 553 HG 0.03 0.07 -0.04 -0.04 1.64 1.67 2db3D1 LEU 553 HD13 0.00 0.01 -0.06 -0.04 0.93 0.84 2db3D1 LEU 553 HD23 0.01 -0.05 -0.18 -0.04 0.89 0.63 2db3D1 ASP 554 H 0.03 0.12 0.10 -0.55 8.40 8.10 2db3D1 ASP 554 HA 0.05 0.22 0.78 -0.75 4.63 4.93 2db3D1 ASP 554 HB2 0.04 0.03 -0.00 -0.04 2.71 2.73 2db3D1 ASP 554 HB3 0.03 -0.04 0.19 -0.04 2.70 2.84 2db3D1 ILE 555 H 0.07 0.38 -0.02 -0.55 8.25 8.13 2db3D1 ILE 555 HA 0.06 0.16 1.01 -0.75 4.18 4.66 2db3D1 ILE 555 HB 0.13 0.07 0.05 -0.04 1.89 2.09 2db3D1 ILE 555 HG12 0.08 0.08 -0.16 -0.04 1.49 1.45 2db3D1 ILE 555 HG13 0.06 -0.19 -0.64 -0.04 1.21 0.40 2db3D1 ILE 555 HG23 0.23 -0.02 -0.15 -0.04 0.93 0.94 2db3D1 ILE 555 HD13 0.05 0.00 -0.13 -0.04 0.88 0.76 2db3D1 LYS 556 H 0.04 0.21 0.09 -0.55 8.42 8.21 2db3D1 LYS 556 HA 0.04 0.04 0.34 -0.75 4.32 3.98 2db3D1 LYS 556 HB2 0.02 0.12 0.17 -0.04 1.87 2.14 2db3D1 LYS 556 HB3 0.01 -0.00 0.12 -0.04 1.79 1.88 2db3D1 LYS 556 HG2 0.00 0.03 -0.13 -0.04 1.46 1.32 2db3D1 LYS 556 HG3 0.02 -0.06 0.11 -0.04 1.46 1.49 2db3D1 LYS 556 HD2 0.01 0.17 0.11 -0.04 1.69 1.93 2db3D1 LYS 556 HD3 -0.00 0.01 0.02 -0.04 1.68 1.68 2db3D1 LYS 556 HE2 0.00 0.03 0.03 -0.04 2.99 3.00 2db3D1 LYS 556 HE3 0.00 -0.01 0.01 -0.04 2.99 2.96 2db3D1 ASN 557 H 0.03 0.01 -0.24 -0.55 8.53 7.78 2db3D1 ASN 557 HA -0.03 0.09 0.40 -0.75 4.76 4.46 2db3D1 ASN 557 HB2 -0.12 -0.08 -0.01 -0.04 2.88 2.63 2db3D1 ASN 557 HB3 -0.39 -0.03 0.02 -0.04 2.79 2.36 2db3D1 ASN 557 HD21 -0.14 0.03 -0.01 -0.04 7.03 6.87 2db3D1 ASN 557 HD22 -0.29 0.43 0.25 -0.04 7.74 8.09 2db3D1 ILE 558 H 0.15 0.39 -0.27 -0.55 8.25 7.96 2db3D1 ILE 558 HA 0.24 0.09 0.52 -0.75 4.18 4.28 2db3D1 ILE 558 HB 0.12 0.21 0.15 -0.04 1.89 2.32 2db3D1 ILE 558 HG12 0.31 -0.03 -0.17 -0.04 1.49 1.55 2db3D1 ILE 558 HG13 0.33 -0.08 -0.05 -0.04 1.21 1.37 2db3D1 ILE 558 HG23 0.10 -0.04 -0.28 -0.04 0.93 0.67 2db3D1 ILE 558 HD13 0.01 -0.03 -0.07 -0.04 0.88 0.75 2db3D1 LYS 559 H 0.13 0.86 0.60 -0.55 8.42 9.46 2db3D1 LYS 559 HA 0.07 0.11 0.96 -0.75 4.32 4.71 2db3D1 LYS 559 HB2 0.07 0.13 0.15 -0.04 1.87 2.18 2db3D1 LYS 559 HB3 0.04 -0.13 0.15 -0.04 1.79 1.81 2db3D1 LYS 559 HG2 0.03 0.01 -0.10 -0.04 1.46 1.36 2db3D1 LYS 559 HG3 0.03 0.26 0.03 -0.04 1.46 1.74 2db3D1 LYS 559 HD2 0.02 -0.08 0.02 -0.04 1.69 1.61 2db3D1 LYS 559 HD3 0.01 -0.06 0.00 -0.04 1.68 1.60 2db3D1 LYS 559 HE2 -0.01 0.03 -0.04 -0.04 2.99 2.94 2db3D1 LYS 559 HE3 0.02 0.15 -0.00 -0.04 2.99 3.12 2db3D1 HIS 560 H 0.17 0.39 0.35 -0.55 8.41 8.78 2db3D1 HIS 560 HA 0.04 0.30 1.01 -0.75 4.63 5.23 2db3D1 HIS 560 HB2 0.04 0.04 -0.29 -0.04 3.26 3.02 2db3D1 HIS 560 HB3 0.04 -0.04 -0.01 -0.04 3.20 3.14 2db3D1 HIS 560 HD2 0.03 0.20 -0.13 -0.04 6.97 7.03 2db3D1 HIS 560 HE1 0.08 -0.04 -0.13 -0.04 7.75 7.62 2db3D1 VAL 561 H 0.24 0.63 0.42 -0.55 8.24 8.97 2db3D1 VAL 561 HA -0.04 0.23 1.07 -0.75 4.13 4.64 2db3D1 VAL 561 HB 0.07 -0.02 0.17 -0.04 2.12 2.29 2db3D1 VAL 561 HG13 0.20 -0.03 -0.29 -0.04 0.97 0.81 2db3D1 VAL 561 HG23 0.10 0.02 -0.13 -0.04 0.95 0.90 2db3D1 ILE 562 H -0.14 0.64 0.37 -0.55 8.25 8.57 2db3D1 ILE 562 HA -0.16 0.35 1.16 -0.75 4.18 4.78 2db3D1 ILE 562 HB -0.23 -0.03 0.12 -0.04 1.89 1.70 2db3D1 ILE 562 HG12 -0.44 0.01 -0.12 -0.04 1.49 0.90 2db3D1 ILE 562 HG13 -0.74 0.01 -0.44 -0.04 1.21 0.00 2db3D1 ILE 562 HG23 -0.43 -0.04 -0.30 -0.04 0.93 0.12 2db3D1 ILE 562 HD13 -0.20 0.01 -0.15 -0.04 0.88 0.49 2db3D1 ASN 563 H -0.05 0.71 0.30 -0.55 8.53 8.95 2db3D1 ASN 563 HA 0.12 0.10 0.81 -0.75 4.76 5.03 2db3D1 ASN 563 HB2 0.11 -0.06 0.22 -0.04 2.88 3.11 2db3D1 ASN 563 HB3 0.11 0.01 -0.12 -0.04 2.79 2.75 2db3D1 ASN 563 HD21 -0.13 0.03 -0.10 -0.04 7.03 6.79 2db3D1 ASN 563 HD22 0.15 0.04 -0.11 -0.04 7.74 7.78 2db3D1 TYR 564 H 0.05 0.42 0.10 -0.55 8.29 8.32 2db3D1 TYR 564 HA -0.48 0.02 0.36 -0.75 4.56 3.71 2db3D1 TYR 564 HB2 -0.16 0.04 -0.01 -0.04 3.06 2.89 2db3D1 TYR 564 HB3 -0.04 0.08 0.07 -0.04 2.98 3.05 2db3D1 TYR 564 HD2 0.04 0.01 -0.19 -0.04 7.15 6.97 2db3D1 TYR 564 HE2 0.05 -0.02 -0.15 -0.04 6.85 6.69 2db3D1 ASP 565 H 0.18 0.44 -0.01 -0.55 8.40 8.46 2db3D1 ASP 565 HA 0.09 0.15 0.84 -0.75 4.63 4.95 2db3D1 ASP 565 HB2 0.13 -0.11 0.04 -0.04 2.71 2.74 2db3D1 ASP 565 HB3 0.08 0.10 -0.00 -0.04 2.70 2.84 2db3D1 MET 566 H 0.05 0.13 0.09 -0.55 8.47 8.19 2db3D1 MET 566 HA 0.11 0.08 0.40 -0.75 4.52 4.35 2db3D1 MET 566 HB2 -0.00 -0.12 0.12 -0.04 2.15 2.11 2db3D1 MET 566 HB3 0.06 0.13 0.02 -0.04 2.03 2.20 2db3D1 MET 566 HG2 0.12 0.29 0.00 -0.04 2.63 3.00 2db3D1 MET 566 HG3 0.11 -0.11 0.01 -0.04 2.56 2.54 2db3D1 MET 566 HE3 0.00 0.01 -0.06 -0.04 2.10 2.02 2db3D1 PRO 567 HA 0.03 0.10 0.54 -0.51 4.44 4.60 2db3D1 PRO 567 HB2 0.02 -0.16 0.08 -0.04 2.28 2.19 2db3D1 PRO 567 HB3 -0.01 0.07 0.02 -0.04 2.02 2.06 2db3D1 PRO 567 HG2 0.09 0.05 -0.17 -0.04 2.03 1.96 2db3D1 PRO 567 HG3 0.10 0.01 -0.13 -0.04 2.03 1.97 2db3D1 PRO 567 HD2 0.16 0.09 0.14 -0.04 3.68 4.03 2db3D1 PRO 567 HD3 0.11 0.20 0.11 -0.04 3.65 4.02 2db3D1 SER 568 H 0.02 0.08 0.15 -0.55 8.46 8.15 2db3D1 SER 568 HA 0.01 0.20 0.59 -0.75 4.49 4.54 2db3D1 SER 568 HB2 0.01 0.03 0.07 -0.04 3.95 4.02 2db3D1 SER 568 HB3 0.01 0.05 0.07 -0.04 3.93 4.02 2db3D1 LYS 569 H 0.03 0.03 -0.04 -0.55 8.42 7.88 2db3D1 LYS 569 HA 0.03 0.29 0.99 -0.75 4.32 4.88 2db3D1 LYS 569 HB2 0.03 -0.06 0.10 -0.04 1.87 1.89 2db3D1 LYS 569 HB3 0.04 -0.07 0.05 -0.04 1.79 1.76 2db3D1 LYS 569 HG2 0.02 0.13 -0.04 -0.04 1.46 1.53 2db3D1 LYS 569 HG3 0.02 -0.05 -0.25 -0.04 1.46 1.13 2db3D1 LYS 569 HD2 0.01 -0.03 -0.00 -0.04 1.69 1.63 2db3D1 LYS 569 HD3 0.02 -0.00 0.00 -0.04 1.68 1.66 2db3D1 LYS 569 HE2 0.01 0.06 -0.01 -0.04 2.99 3.01 2db3D1 LYS 569 HE3 0.01 0.01 -0.03 -0.04 2.99 2.94 2db3D1 ILE 570 H 0.04 0.25 0.13 -0.55 8.25 8.12 2db3D1 ILE 570 HA 0.07 0.12 0.33 -0.75 4.18 3.95 2db3D1 ILE 570 HB 0.01 0.04 0.09 -0.04 1.89 1.99 2db3D1 ILE 570 HG12 -0.00 0.11 -0.16 -0.04 1.49 1.40 2db3D1 ILE 570 HG13 0.07 0.02 -0.10 -0.04 1.21 1.16 2db3D1 ILE 570 HG23 0.04 0.02 -0.05 -0.04 0.93 0.90 2db3D1 ILE 570 HD13 -0.12 0.01 -0.08 -0.04 0.88 0.64 2db3D1 ASP 571 H 0.07 0.06 -0.19 -0.55 8.40 7.79 2db3D1 ASP 571 HA 0.09 0.21 0.35 -0.75 4.63 4.52 2db3D1 ASP 571 HB2 0.08 -0.06 0.01 -0.04 2.71 2.70 2db3D1 ASP 571 HB3 0.16 0.01 -0.07 -0.04 2.70 2.77 2db3D1 ASP 572 H 0.08 0.11 -0.33 -0.55 8.40 7.70 2db3D1 ASP 572 HA 0.07 0.04 0.37 -0.75 4.63 4.36 2db3D1 ASP 572 HB2 0.02 -0.08 0.10 -0.04 2.71 2.70 2db3D1 ASP 572 HB3 0.02 0.14 0.08 -0.04 2.70 2.90 2db3D1 TYR 573 H 0.16 0.26 -0.28 -0.55 8.29 7.88 2db3D1 TYR 573 HA -0.06 0.03 0.38 -0.75 4.56 4.15 2db3D1 TYR 573 HB2 0.00 -0.04 0.05 -0.04 3.06 3.03 2db3D1 TYR 573 HB3 0.00 0.19 0.15 -0.04 2.98 3.28 2db3D1 TYR 573 HD2 0.01 -0.01 -0.11 -0.04 7.15 7.00 2db3D1 TYR 573 HE2 0.02 0.03 -0.14 -0.04 6.85 6.72 2db3D1 VAL 574 H 0.14 0.44 -0.16 -0.55 8.24 8.11 2db3D1 VAL 574 HA -0.10 0.06 0.31 -0.75 4.13 3.65 2db3D1 VAL 574 HB -0.03 0.08 0.12 -0.04 2.12 2.25 2db3D1 VAL 574 HG13 -0.16 -0.01 -0.31 -0.04 0.97 0.45 2db3D1 VAL 574 HG23 0.11 0.08 -0.04 -0.04 0.95 1.06 2db3D1 HIS 575 H 0.02 0.33 -0.21 -0.55 8.41 8.00 2db3D1 HIS 575 HA -0.04 -0.00 0.52 -0.75 4.63 4.36 2db3D1 HIS 575 HB2 -0.08 -0.02 0.09 -0.04 3.26 3.20 2db3D1 HIS 575 HB3 -0.06 0.23 -0.09 -0.04 3.20 3.24 2db3D1 HIS 575 HD2 -0.02 0.14 -0.20 -0.04 6.97 6.85 2db3D1 HIS 575 HE1 0.00 -0.24 0.13 -0.04 7.75 7.59 2db3D1 ARG 576 H -0.15 0.51 -0.07 -0.55 8.46 8.20 2db3D1 ARG 576 HA -0.28 0.06 0.41 -0.75 4.34 3.78 2db3D1 ARG 576 HB2 -0.36 0.11 0.22 -0.04 1.90 1.82 2db3D1 ARG 576 HB3 -0.52 -0.03 -0.08 -0.04 1.80 1.14 2db3D1 ARG 576 HG2 -2.07 -0.06 -0.01 -0.04 1.67 -0.51 2db3D1 ARG 576 HG3 -0.53 0.04 0.09 -0.04 1.67 1.22 2db3D1 ARG 576 HD2 -0.29 -0.01 -0.09 -0.04 3.22 2.78 2db3D1 ARG 576 HD3 -0.63 0.02 -0.06 -0.04 3.22 2.51 2db3D1 ILE 577 H -0.31 0.59 -0.08 -0.55 8.25 7.91 2db3D1 ILE 577 HA -0.05 0.03 0.34 -0.75 4.18 3.75 2db3D1 ILE 577 HB -0.14 0.03 -0.03 -0.04 1.89 1.71 2db3D1 ILE 577 HG12 -0.41 0.06 0.01 -0.04 1.49 1.11 2db3D1 ILE 577 HG13 -0.15 0.10 -0.26 -0.04 1.21 0.85 2db3D1 ILE 577 HG23 -0.63 0.03 -0.06 -0.04 0.93 0.23 2db3D1 ILE 577 HD13 -0.13 -0.02 -0.12 -0.04 0.88 0.58 2db3D1 GLY 578 H -0.08 0.20 -0.66 -0.55 8.43 7.34 2db3D1 GLY 578 HA2 -0.01 0.14 0.41 -0.51 4.01 4.05 2db3D1 GLY 578 HA3 -0.02 -0.10 0.33 -0.51 4.01 3.71 2db3D1 ARG 579 H 0.06 0.42 -0.54 -0.55 8.46 7.85 2db3D1 ARG 579 HA 0.08 0.04 0.42 -0.75 4.34 4.12 2db3D1 ARG 579 HB2 0.14 0.03 -0.01 -0.04 1.90 2.02 2db3D1 ARG 579 HB3 0.09 -0.09 0.05 -0.04 1.80 1.81 2db3D1 ARG 579 HG2 0.23 0.14 0.11 -0.04 1.67 2.12 2db3D1 ARG 579 HG3 0.25 -0.08 0.00 -0.04 1.67 1.79 2db3D1 ARG 579 HD2 0.13 -0.08 -0.26 -0.04 3.22 2.98 2db3D1 ARG 579 HD3 0.09 0.15 -0.09 -0.04 3.22 3.33 2db3D1 THR 580 H 0.05 0.32 -0.58 -0.55 8.28 7.52 2db3D1 THR 580 HA 0.07 0.28 0.79 -0.75 4.39 4.77 2db3D1 THR 580 HB 0.06 -0.05 -0.25 -0.04 4.32 4.04 2db3D1 THR 580 HG23 0.08 0.02 -0.23 -0.04 1.22 1.05 2db3D1 GLY 581 H 0.05 0.26 -0.04 -0.55 8.43 8.15 2db3D1 GLY 581 HA2 0.05 0.25 -0.14 -0.51 4.01 3.66 2db3D1 GLY 581 HA3 0.04 -0.03 0.10 -0.51 4.01 3.61 2db3D1 ARG 582 H 0.06 0.09 -0.20 -0.55 8.46 7.86 2db3D1 ARG 582 HA 0.09 0.17 0.67 -0.75 4.34 4.51 2db3D1 ARG 582 HB2 0.07 0.01 -0.08 -0.04 1.90 1.86 2db3D1 ARG 582 HB3 0.07 -0.14 0.10 -0.04 1.80 1.79 2db3D1 ARG 582 HG2 0.06 0.09 -0.26 -0.04 1.67 1.53 2db3D1 ARG 582 HG3 0.06 -0.06 -0.58 -0.04 1.67 1.05 2db3D1 ARG 582 HD2 0.06 0.26 -0.19 -0.04 3.22 3.32 2db3D1 ARG 582 HD3 0.06 -0.09 -0.11 -0.04 3.22 3.03 2db3D1 VAL 583 H 0.16 0.53 0.28 -0.55 8.24 8.67 2db3D1 VAL 583 HA 0.33 0.08 0.40 -0.75 4.13 4.19 2db3D1 VAL 583 HB 0.12 0.13 0.03 -0.04 2.12 2.36 2db3D1 VAL 583 HG13 0.24 -0.00 0.08 -0.04 0.97 1.25 2db3D1 VAL 583 HG23 0.09 -0.00 -0.24 -0.04 0.95 0.76 2db3D1 GLY 584 H 0.05 0.20 -0.45 -0.55 8.43 7.69 2db3D1 GLY 584 HA2 -0.13 0.07 0.07 -0.51 4.01 3.51 2db3D1 GLY 584 HA3 0.02 0.07 0.43 -0.51 4.01 4.02 2db3D1 ASN 585 H 0.06 0.50 -0.32 -0.55 8.53 8.22 2db3D1 ASN 585 HA 0.01 -0.16 0.59 -0.75 4.76 4.44 2db3D1 ASN 585 HB2 0.05 0.04 0.06 -0.04 2.88 2.98 2db3D1 ASN 585 HB3 0.03 0.06 0.16 -0.04 2.79 3.00 2db3D1 ASN 585 HD21 0.04 0.48 0.00 -0.04 7.03 7.51 2db3D1 ASN 585 HD22 0.06 0.36 0.06 -0.04 7.74 8.18 2db3D1 ASN 586 H 0.04 0.01 0.23 -0.55 8.53 8.27 2db3D1 ASN 586 HA 0.09 0.34 0.73 -0.75 4.76 5.16 2db3D1 ASN 586 HB2 0.05 -0.07 0.15 -0.04 2.88 2.98 2db3D1 ASN 586 HB3 0.06 0.03 0.23 -0.04 2.79 3.06 2db3D1 ASN 586 HD21 0.35 -0.02 0.06 -0.04 7.03 7.38 2db3D1 ASN 586 HD22 0.05 -0.03 0.10 -0.04 7.74 7.82 2db3D1 GLY 587 H 0.03 0.51 0.43 -0.55 8.43 8.86 2db3D1 GLY 587 HA2 0.03 0.14 0.49 -0.51 4.01 4.16 2db3D1 GLY 587 HA3 0.04 -0.03 0.37 -0.51 4.01 3.89 2db3D1 ARG 588 H 0.05 0.52 0.33 -0.55 8.46 8.80 2db3D1 ARG 588 HA 0.03 0.24 1.06 -0.75 4.34 4.91 2db3D1 ARG 588 HB2 -0.05 0.01 0.09 -0.04 1.90 1.91 2db3D1 ARG 588 HB3 -0.05 -0.03 -0.01 -0.04 1.80 1.68 2db3D1 ARG 588 HG2 -0.12 0.16 0.18 -0.04 1.67 1.85 2db3D1 ARG 588 HG3 -0.57 -0.07 -0.03 -0.04 1.67 0.96 2db3D1 ARG 588 HD2 -0.13 -0.03 -0.04 -0.04 3.22 2.99 2db3D1 ARG 588 HD3 -0.20 0.04 -0.04 -0.04 3.22 2.98 2db3D1 ALA 589 H 0.07 0.75 0.39 -0.55 8.40 9.07 2db3D1 ALA 589 HA 0.19 0.29 1.07 -0.75 4.34 5.13 2db3D1 ALA 589 HB3 0.02 -0.01 -0.03 -0.04 1.41 1.35 2db3D1 THR 590 H 0.08 0.72 0.47 -0.55 8.28 9.01 2db3D1 THR 590 HA 0.09 0.27 1.03 -0.75 4.39 5.03 2db3D1 THR 590 HB 0.09 -0.05 0.07 -0.04 4.32 4.39 2db3D1 THR 590 HG23 0.31 -0.02 -0.14 -0.04 1.22 1.33 2db3D1 SER 591 H 0.11 0.56 0.37 -0.55 8.46 8.96 2db3D1 SER 591 HA 0.05 0.10 1.05 -0.75 4.49 4.94 2db3D1 SER 591 HB2 0.22 -0.01 0.05 -0.04 3.95 4.16 2db3D1 SER 591 HB3 0.23 -0.01 -0.05 -0.04 3.93 4.07 2db3D1 PHE 592 H 0.15 0.70 0.15 -0.55 8.34 8.79 2db3D1 PHE 592 HA 0.13 0.11 0.76 -0.75 4.62 4.86 2db3D1 PHE 592 HB2 -0.05 0.23 0.24 -0.04 3.15 3.53 2db3D1 PHE 592 HB3 -0.09 -0.06 0.01 -0.04 3.06 2.87 2db3D1 PHE 592 HD2 -0.15 0.02 -0.26 -0.04 7.28 6.84 2db3D1 PHE 592 HE2 0.05 0.04 -0.15 -0.04 7.38 7.28 2db3D1 PHE 592 HZ 0.04 0.04 -0.32 -0.04 7.32 7.04 2db3D1 PHE 593 H 0.36 0.96 0.35 -0.55 8.34 9.46 2db3D1 PHE 593 HA 0.10 0.06 0.79 -0.75 4.62 4.82 2db3D1 PHE 593 HB2 0.21 0.01 -0.06 -0.04 3.15 3.27 2db3D1 PHE 593 HB3 0.23 0.06 0.06 -0.04 3.06 3.38 2db3D1 PHE 593 HD2 0.07 -0.03 -0.20 -0.04 7.28 7.08 2db3D1 PHE 593 HE2 0.08 0.02 -0.15 -0.04 7.38 7.28 2db3D1 PHE 593 HZ 0.07 -0.00 -0.24 -0.04 7.32 7.11 2db3D1 ASP 594 H -0.40 0.16 0.15 -0.55 8.40 7.77 2db3D1 ASP 594 HA -0.14 0.31 0.75 -0.75 4.63 4.79 2db3D1 ASP 594 HB2 -0.13 0.17 0.09 -0.04 2.71 2.79 2db3D1 ASP 594 HB3 -0.20 -0.09 0.19 -0.04 2.70 2.56 2db3D1 PRO 595 HA 0.18 0.11 0.36 -0.51 4.44 4.57 2db3D1 PRO 595 HB2 0.03 0.01 0.01 -0.04 2.28 2.29 2db3D1 PRO 595 HB3 0.13 0.11 0.06 -0.04 2.02 2.28 2db3D1 PRO 595 HG2 -0.01 0.06 0.01 -0.04 2.03 2.05 2db3D1 PRO 595 HG3 0.14 0.10 0.02 -0.04 2.03 2.25 2db3D1 PRO 595 HD2 -0.06 -0.00 0.09 -0.04 3.68 3.67 2db3D1 PRO 595 HD3 -0.03 0.39 0.29 -0.04 3.65 4.26 2db3D1 GLU 596 H -0.06 0.07 -0.22 -0.55 8.60 7.85 2db3D1 GLU 596 HA -0.01 0.22 0.61 -0.75 4.29 4.35 2db3D1 GLU 596 HB2 -0.03 -0.08 0.06 -0.04 2.09 2.00 2db3D1 GLU 596 HB3 -0.01 0.06 0.20 -0.04 1.99 2.20 2db3D1 GLU 596 HG2 0.00 0.08 -0.02 -0.04 2.34 2.37 2db3D1 GLU 596 HG3 -0.00 -0.07 0.03 -0.04 2.34 2.26 2db3D1 LYS 597 H -0.15 0.25 -0.46 -0.55 8.42 7.51 2db3D1 LYS 597 HA -0.05 0.17 0.68 -0.75 4.32 4.37 2db3D1 LYS 597 HB2 -0.06 0.04 -0.31 -0.04 1.87 1.50 2db3D1 LYS 597 HB3 -0.11 -0.04 -0.01 -0.04 1.79 1.59 2db3D1 LYS 597 HG2 -0.06 -0.00 -0.04 -0.04 1.46 1.32 2db3D1 LYS 597 HG3 -0.04 0.04 0.14 -0.04 1.46 1.56 2db3D1 LYS 597 HD2 -0.02 -0.01 0.02 -0.04 1.69 1.63 2db3D1 LYS 597 HD3 -0.03 -0.00 0.01 -0.04 1.68 1.61 2db3D1 LYS 597 HE2 -0.06 -0.03 0.00 -0.04 2.99 2.86 2db3D1 LYS 597 HE3 -0.04 0.03 -0.02 -0.04 2.99 2.92 2db3D1 ASP 598 H -0.35 0.71 0.27 -0.55 8.40 8.47 2db3D1 ASP 598 HA -0.13 0.24 0.95 -0.75 4.63 4.95 2db3D1 ASP 598 HB2 -1.30 0.04 0.07 -0.04 2.71 1.48 2db3D1 ASP 598 HB3 -0.30 -0.00 0.18 -0.04 2.70 2.54 2db3D1 ARG 599 H -0.03 0.19 -0.15 -0.55 8.46 7.92 2db3D1 ARG 599 HA 0.34 0.09 0.38 -0.75 4.34 4.40 2db3D1 ARG 599 HB2 0.07 0.03 -0.04 -0.04 1.90 1.92 2db3D1 ARG 599 HB3 0.13 0.08 0.11 -0.04 1.80 2.09 2db3D1 ARG 599 HG2 0.05 0.08 0.05 -0.04 1.67 1.81 2db3D1 ARG 599 HG3 0.04 0.05 0.10 -0.04 1.67 1.83 2db3D1 ARG 599 HD2 -0.01 -0.13 -0.20 -0.04 3.22 2.83 2db3D1 ARG 599 HD3 0.02 0.02 -0.03 -0.04 3.22 3.18 2db3D1 ALA 600 H 0.03 0.14 -0.21 -0.55 8.40 7.82 2db3D1 ALA 600 HA 0.04 0.10 0.38 -0.75 4.34 4.11 2db3D1 ALA 600 HB3 0.02 0.02 0.08 -0.04 1.41 1.48 2db3D1 ILE 601 H 0.08 0.35 -0.34 -0.55 8.25 7.80 2db3D1 ILE 601 HA 0.03 0.11 0.76 -0.75 4.18 4.34 2db3D1 ILE 601 HB 0.04 0.04 0.01 -0.04 1.89 1.94 2db3D1 ILE 601 HG12 -0.01 -0.09 0.01 -0.04 1.49 1.36 2db3D1 ILE 601 HG13 0.02 -0.04 -0.01 -0.04 1.21 1.14 2db3D1 ILE 601 HG23 0.12 0.06 -0.15 -0.04 0.93 0.92 2db3D1 ILE 601 HD13 0.03 -0.00 -0.45 -0.04 0.88 0.41 2db3D1 ALA 602 H 0.16 0.39 -0.15 -0.55 8.40 8.26 2db3D1 ALA 602 HA 0.01 -0.02 0.33 -0.75 4.34 3.90 2db3D1 ALA 602 HB3 0.06 0.08 0.16 -0.04 1.41 1.66 2db3D1 ALA 603 H 0.01 0.21 -0.13 -0.55 8.40 7.94 2db3D1 ALA 603 HA -0.04 0.11 0.42 -0.75 4.34 4.08 2db3D1 ALA 603 HB3 -0.01 0.03 0.06 -0.04 1.41 1.45 2db3D1 ASP 604 H -0.01 0.18 -0.18 -0.55 8.40 7.84 2db3D1 ASP 604 HA -0.02 0.09 0.49 -0.75 4.63 4.44 2db3D1 ASP 604 HB2 -0.01 0.09 0.15 -0.04 2.71 2.90 2db3D1 ASP 604 HB3 -0.01 -0.05 0.02 -0.04 2.70 2.63 2db3D1 LEU 605 H -0.07 0.56 -0.11 -0.55 8.37 8.21 2db3D1 LEU 605 HA -0.20 -0.00 0.38 -0.75 4.35 3.78 2db3D1 LEU 605 HB2 -0.18 -0.03 0.01 -0.04 1.64 1.41 2db3D1 LEU 605 HB3 -0.14 0.15 0.10 -0.04 1.64 1.71 2db3D1 LEU 605 HG -0.21 0.04 -0.22 -0.04 1.64 1.21 2db3D1 LEU 605 HD13 -0.65 -0.01 -0.06 -0.04 0.93 0.17 2db3D1 LEU 605 HD23 -0.12 -0.01 -0.10 -0.04 0.89 0.62 2db3D1 VAL 606 H -0.10 0.62 -0.12 -0.55 8.24 8.09 2db3D1 VAL 606 HA -0.12 0.01 0.33 -0.75 4.13 3.59 2db3D1 VAL 606 HB -0.07 0.14 0.14 -0.04 2.12 2.28 2db3D1 VAL 606 HG13 -0.07 -0.01 -0.15 -0.04 0.97 0.70 2db3D1 VAL 606 HG23 -0.14 0.06 -0.07 -0.04 0.95 0.76 2db3D1 LYS 607 H -0.05 0.43 -0.25 -0.55 8.42 8.00 2db3D1 LYS 607 HA -0.03 0.01 0.38 -0.75 4.32 3.93 2db3D1 LYS 607 HB2 -0.02 0.14 0.22 -0.04 1.87 2.16 2db3D1 LYS 607 HB3 -0.01 0.02 0.03 -0.04 1.79 1.79 2db3D1 LYS 607 HG2 -0.01 -0.01 0.00 -0.04 1.46 1.41 2db3D1 LYS 607 HG3 -0.02 -0.01 0.04 -0.04 1.46 1.44 2db3D1 LYS 607 HD2 -0.00 -0.05 -0.01 -0.04 1.69 1.60 2db3D1 LYS 607 HD3 -0.00 -0.01 -0.01 -0.04 1.68 1.61 2db3D1 LYS 607 HE2 -0.01 -0.01 -0.02 -0.04 2.99 2.91 2db3D1 LYS 607 HE3 -0.02 0.22 -0.03 -0.04 2.99 3.13 2db3D1 ILE 608 H -0.04 0.55 -0.10 -0.55 8.25 8.12 2db3D1 ILE 608 HA 0.01 0.02 0.47 -0.75 4.18 3.93 2db3D1 ILE 608 HB -0.02 0.06 0.13 -0.04 1.89 2.02 2db3D1 ILE 608 HG12 0.11 -0.05 -0.02 -0.04 1.49 1.49 2db3D1 ILE 608 HG13 0.06 -0.11 0.09 -0.04 1.21 1.20 2db3D1 ILE 608 HG23 0.14 -0.01 -0.21 -0.04 0.93 0.81 2db3D1 ILE 608 HD13 0.03 0.03 -0.07 -0.04 0.88 0.83 2db3D1 LEU 609 H -0.05 0.66 -0.16 -0.55 8.37 8.28 2db3D1 LEU 609 HA 0.01 0.04 0.41 -0.75 4.35 4.05 2db3D1 LEU 609 HB2 -0.07 0.10 0.16 -0.04 1.64 1.78 2db3D1 LEU 609 HB3 -0.05 0.05 -0.20 -0.04 1.64 1.40 2db3D1 LEU 609 HG -0.09 0.07 -0.05 -0.04 1.64 1.53 2db3D1 LEU 609 HD13 -0.14 -0.02 -0.11 -0.04 0.93 0.62 2db3D1 LEU 609 HD23 0.01 0.01 -0.10 -0.04 0.89 0.76 2db3D1 GLU 610 H -0.04 0.70 0.03 -0.55 8.60 8.75 2db3D1 GLU 610 HA -0.03 0.09 0.48 -0.75 4.29 4.07 2db3D1 GLU 610 HB2 -0.03 0.06 0.11 -0.04 2.09 2.19 2db3D1 GLU 610 HB3 -0.02 -0.04 0.03 -0.04 1.99 1.91 2db3D1 GLU 610 HG2 -0.04 -0.02 0.04 -0.04 2.34 2.28 2db3D1 GLU 610 HG3 -0.05 0.14 0.05 -0.04 2.34 2.44 2db3D1 GLY 611 H -0.01 0.42 -0.35 -0.55 8.43 7.94 2db3D1 GLY 611 HA2 -0.00 0.02 0.46 -0.51 4.01 3.98 2db3D1 GLY 611 HA3 0.00 -0.00 0.33 -0.51 4.01 3.84 2db3D1 SER 612 H -0.00 0.32 -0.54 -0.55 8.46 7.69 2db3D1 SER 612 HA -0.00 0.16 0.91 -0.75 4.49 4.80 2db3D1 SER 612 HB2 0.00 -0.00 0.05 -0.04 3.95 3.96 2db3D1 SER 612 HB3 0.01 -0.00 -0.06 -0.04 3.93 3.84 2db3D1 GLY 613 H -0.01 0.26 -0.22 -0.55 8.43 7.91 2db3D1 GLY 613 HA2 -0.02 0.00 0.33 -0.51 4.01 3.81 2db3D1 GLY 613 HA3 -0.02 0.00 0.37 -0.51 4.01 3.85 2db3D1 GLN 614 H -0.01 0.61 0.03 -0.55 8.47 8.55 2db3D1 GLN 614 HA -0.01 0.13 0.82 -0.75 4.36 4.54 2db3D1 GLN 614 HB2 -0.01 -0.10 0.03 -0.04 2.15 2.02 2db3D1 GLN 614 HB3 -0.01 0.06 0.15 -0.04 2.02 2.18 2db3D1 GLN 614 HG2 0.01 0.05 -0.16 -0.04 2.40 2.26 2db3D1 GLN 614 HG3 0.03 -0.08 0.03 -0.04 2.39 2.32 2db3D1 GLN 614 HE21 -0.01 -0.02 -0.06 -0.04 6.97 6.84 2db3D1 GLN 614 HE22 -0.01 0.27 -0.06 -0.04 7.69 7.85 2db3D1 THR 615 H -0.02 0.13 0.17 -0.55 8.28 8.01 2db3D1 THR 615 HA -0.03 0.07 0.55 -0.75 4.39 4.22 2db3D1 THR 615 HB -0.03 -0.03 -0.03 -0.04 4.32 4.20 2db3D1 THR 615 HG23 -0.02 0.01 0.02 -0.04 1.22 1.20 2db3D1 VAL 616 H -0.06 0.14 0.14 -0.55 8.24 7.91 2db3D1 VAL 616 HA -0.13 0.23 0.85 -0.75 4.13 4.32 2db3D1 VAL 616 HB -0.09 -0.04 0.10 -0.04 2.12 2.04 2db3D1 VAL 616 HG13 -0.17 -0.01 -0.19 -0.04 0.97 0.57 2db3D1 VAL 616 HG23 -0.08 0.04 -0.07 -0.04 0.95 0.80 2db3D1 PRO 617 HA -0.13 0.08 0.55 -0.51 4.44 4.43 2db3D1 PRO 617 HB2 -1.26 -0.12 0.05 -0.04 2.28 0.91 2db3D1 PRO 617 HB3 -0.14 0.05 0.10 -0.04 2.02 2.00 2db3D1 PRO 617 HG2 -0.24 0.04 0.10 -0.04 2.03 1.90 2db3D1 PRO 617 HG3 -0.11 0.11 0.05 -0.04 2.03 2.04 2db3D1 PRO 617 HD2 -0.38 0.02 0.18 -0.04 3.68 3.46 2db3D1 PRO 617 HD3 -0.17 0.43 0.30 -0.04 3.65 4.16 2db3D1 ASP 618 H -0.07 0.21 0.20 -0.55 8.40 8.19 2db3D1 ASP 618 HA -0.11 0.10 0.36 -0.75 4.63 4.22 2db3D1 ASP 618 HB2 0.01 -0.01 0.13 -0.04 2.71 2.80 2db3D1 ASP 618 HB3 -0.01 0.03 0.04 -0.04 2.70 2.72 2db3D1 PHE 619 H 0.01 0.08 -0.28 -0.55 8.34 7.59 2db3D1 PHE 619 HA -0.04 0.10 0.35 -0.75 4.62 4.27 2db3D1 PHE 619 HB2 -0.02 0.01 0.06 -0.04 3.15 3.15 2db3D1 PHE 619 HB3 -0.02 -0.01 0.06 -0.04 3.06 3.05 2db3D1 PHE 619 HD2 -0.16 -0.00 -0.21 -0.04 7.28 6.87 2db3D1 PHE 619 HE2 -0.30 0.06 -0.12 -0.04 7.38 6.99 2db3D1 PHE 619 HZ -0.01 -0.00 -0.53 -0.04 7.32 6.73 2db3D1 LEU 620 H -0.68 0.48 -0.48 -0.55 8.37 7.14 2db3D1 LEU 620 HA -0.47 0.01 0.43 -0.75 4.35 3.57 2db3D1 LEU 620 HB2 -0.47 0.27 0.06 -0.04 1.64 1.47 2db3D1 LEU 620 HB3 -0.34 -0.02 -0.06 -0.04 1.64 1.18 2db3D1 LEU 620 HG -1.26 -0.06 -0.06 -0.04 1.64 0.22 2db3D1 LEU 620 HD13 -0.35 0.00 -0.05 -0.04 0.93 0.49 2db3D1 LEU 620 HD23 -0.75 -0.02 -0.06 -0.04 0.89 0.02 2db3D1 ARG 621 H -0.18 0.24 -0.27 -0.55 8.46 7.70 2db3D1 ARG 621 HA -0.08 0.06 0.23 -0.75 4.34 3.79 2db3D1 ARG 621 HB2 -0.08 0.09 0.11 -0.04 1.90 1.98 2db3D1 ARG 621 HB3 -0.04 -0.01 0.05 -0.04 1.80 1.75 2db3D1 ARG 621 HG2 -0.05 -0.01 -0.00 -0.04 1.67 1.57 2db3D1 ARG 621 HG3 -0.08 -0.02 -0.06 -0.04 1.67 1.48 2db3D1 ARG 621 HD2 -0.11 0.01 -0.10 -0.04 3.22 2.98 2db3D1 ARG 621 HD3 -0.06 -0.01 -0.02 -0.04 3.22 3.09