============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 20 0.840 10.055 15.055 9.956 -99.200 -91.000 HIS 26 0.900 3.022 10.495 16.055 -99.200 -91.000 TYR 27 0.840 8.197 11.342 9.299 -99.200 -91.000 TYR 39 0.840 8.622 -6.102 5.152 -99.200 -91.000 HIS 41 0.900 -1.520 -7.497 1.029 -99.200 -91.000 HIS 47 0.900 3.607 -13.657 11.750 -99.200 -91.000 PHE 78 1.000 22.854 3.486 10.407 -99.200 -91.000 TRP 81 1.040 27.137 5.581 15.328 -99.200 -91.000 TRP6 81 1.020 24.882 5.071 15.837 -99.200 -91.000 HIS 83 0.900 29.541 -5.156 14.621 -99.200 -91.000 HIS 85 0.900 27.392 3.709 18.973 -99.200 -91.000 HIS 92 0.900 21.629 -6.002 26.197 -99.200 -91.000 HIS 95 0.900 21.195 -8.474 18.515 -99.200 -91.000 TYR 96 0.840 21.065 -2.054 16.967 -99.200 -91.000 PHE 102 1.000 13.957 6.365 9.032 -99.200 -91.000 HIS 110 0.900 23.717 2.181 -8.154 -99.200 -91.000 HIS 111 0.900 22.687 7.105 -14.367 -99.200 -91.000 HIS 140 0.900 7.497 9.550 -2.807 -99.200 -91.000 PHE 143 1.000 4.119 3.189 -0.177 -99.200 -91.000 HIS 147 0.900 13.145 -0.935 -2.921 -99.200 -91.000 HIS 151 0.900 17.022 -4.111 -2.396 -99.200 -91.000 HIS 157 0.900 16.032 -2.822 -7.301 -99.200 -91.000 PHE 162 1.000 16.540 -13.909 -8.547 -99.200 -91.000 PHE 167 1.000 8.564 -16.158 -10.090 -99.200 -91.000 TRP 189 1.040 4.956 -7.290 0.540 -99.200 -91.000 TRP6 189 1.020 7.033 -6.155 0.638 -99.200 -91.000 PHE 200 1.000 17.374 -13.920 3.495 -99.200 -91.000 HIS 205 0.900 20.855 -17.668 3.445 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hy7A1 SER 264 HA 0.01 -0.10 0.21 -0.75 4.49 3.86 3hy7A1 SER 264 HB2 0.02 0.02 0.01 -0.04 3.95 3.96 3hy7A1 SER 264 HB3 0.02 -0.03 0.06 -0.04 3.93 3.94 3hy7A1 ARG 265 H 0.00 0.05 0.06 -0.55 8.46 8.02 3hy7A1 ARG 265 HA -0.02 -0.00 0.34 -0.75 4.34 3.90 3hy7A1 ARG 265 HB2 -0.00 -0.02 0.08 -0.04 1.90 1.92 3hy7A1 ARG 265 HB3 -0.01 0.11 0.05 -0.04 1.80 1.90 3hy7A1 ARG 265 HG2 -0.01 -0.01 0.02 -0.04 1.67 1.63 3hy7A1 ARG 265 HG3 -0.01 -0.03 0.04 -0.04 1.67 1.63 3hy7A1 ARG 265 HD2 -0.01 -0.04 0.01 -0.04 3.22 3.14 3hy7A1 ARG 265 HD3 -0.01 0.00 0.02 -0.04 3.22 3.19 3hy7A1 ALA 266 H -0.06 0.02 0.18 -0.55 8.40 7.99 3hy7A1 ALA 266 HA 0.04 0.09 0.54 -0.75 4.34 4.26 3hy7A1 ALA 266 HB3 -0.18 -0.01 0.05 -0.04 1.41 1.22 3hy7A1 ARG 267 H 0.20 0.59 0.32 -0.55 8.46 9.01 3hy7A1 ARG 267 HA 0.05 0.35 0.89 -0.75 4.34 4.88 3hy7A1 ARG 267 HB2 0.05 -0.10 0.13 -0.04 1.90 1.95 3hy7A1 ARG 267 HB3 0.05 -0.06 -0.01 -0.04 1.80 1.73 3hy7A1 ARG 267 HG2 0.06 0.16 -0.20 -0.04 1.67 1.65 3hy7A1 ARG 267 HG3 0.06 -0.11 -0.10 -0.04 1.67 1.48 3hy7A1 ARG 267 HD2 0.05 -0.06 -0.09 -0.04 3.22 3.07 3hy7A1 ARG 267 HD3 0.04 0.13 -0.25 -0.04 3.22 3.09 3hy7A1 GLN 268 H 0.05 0.89 0.26 -0.55 8.47 9.12 3hy7A1 GLN 268 HA 0.04 0.17 0.91 -0.75 4.36 4.73 3hy7A1 GLN 268 HB2 0.05 0.26 0.09 -0.04 2.15 2.51 3hy7A1 GLN 268 HB3 0.05 -0.11 -0.10 -0.04 2.02 1.82 3hy7A1 GLN 268 HG2 0.06 -0.07 -0.10 -0.04 2.40 2.24 3hy7A1 GLN 268 HG3 0.09 -0.03 -0.20 -0.04 2.39 2.20 3hy7A1 GLN 268 HE21 0.02 0.00 -0.34 -0.04 6.97 6.61 3hy7A1 GLN 268 HE22 0.11 -0.05 -0.30 -0.04 7.69 7.41 3hy7A1 VAL 269 H -0.01 0.75 0.32 -0.55 8.24 8.75 3hy7A1 VAL 269 HA 0.03 0.15 0.83 -0.75 4.13 4.39 3hy7A1 VAL 269 HB -0.06 -0.10 0.15 -0.04 2.12 2.08 3hy7A1 VAL 269 HG13 0.00 -0.01 -0.22 -0.04 0.97 0.71 3hy7A1 VAL 269 HG23 -0.10 0.03 -0.12 -0.04 0.95 0.72 3hy7A1 GLU 270 H 0.07 0.27 0.14 -0.55 8.60 8.54 3hy7A1 GLU 270 HA 0.07 0.19 0.85 -0.75 4.29 4.64 3hy7A1 GLU 270 HB2 0.12 -0.14 0.24 -0.04 2.09 2.27 3hy7A1 GLU 270 HB3 0.11 0.12 0.12 -0.04 1.99 2.30 3hy7A1 GLU 270 HG2 0.08 -0.04 -0.02 -0.04 2.34 2.32 3hy7A1 GLU 270 HG3 0.08 0.05 -0.10 -0.04 2.34 2.32 3hy7A1 LEU 271 H 0.06 0.83 0.52 -0.55 8.37 9.23 3hy7A1 LEU 271 HA 0.06 0.31 0.81 -0.75 4.35 4.77 3hy7A1 LEU 271 HB2 0.04 0.03 0.06 -0.04 1.64 1.72 3hy7A1 LEU 271 HB3 0.05 -0.05 -0.16 -0.04 1.64 1.43 3hy7A1 LEU 271 HG 0.03 0.09 -0.20 -0.04 1.64 1.52 3hy7A1 LEU 271 HD13 0.05 -0.03 -0.15 -0.04 0.93 0.75 3hy7A1 LEU 271 HD23 0.04 0.01 -0.21 -0.04 0.89 0.69 3hy7A1 LEU 272 H -0.06 0.69 0.46 -0.55 8.37 8.91 3hy7A1 LEU 272 HA -0.08 0.24 1.02 -0.75 4.35 4.77 3hy7A1 LEU 272 HB2 -0.95 0.07 0.04 -0.04 1.64 0.76 3hy7A1 LEU 272 HB3 -0.68 0.01 0.18 -0.04 1.64 1.11 3hy7A1 LEU 272 HG -0.04 -0.11 -0.58 -0.04 1.64 0.87 3hy7A1 LEU 272 HD13 -0.06 0.03 -0.24 -0.04 0.93 0.62 3hy7A1 LEU 272 HD23 -0.37 0.00 -0.14 -0.04 0.89 0.34 3hy7A1 LEU 273 H 0.02 0.62 0.30 -0.55 8.37 8.76 3hy7A1 LEU 273 HA 0.16 0.19 1.05 -0.75 4.35 5.00 3hy7A1 LEU 273 HB2 0.04 -0.06 0.18 -0.04 1.64 1.75 3hy7A1 LEU 273 HB3 0.16 -0.03 0.01 -0.04 1.64 1.74 3hy7A1 LEU 273 HG 0.05 0.06 -0.10 -0.04 1.64 1.61 3hy7A1 LEU 273 HD13 -0.03 -0.02 -0.12 -0.04 0.93 0.72 3hy7A1 LEU 273 HD23 0.20 0.02 -0.19 -0.04 0.89 0.88 3hy7A1 VAL 274 H 0.14 0.83 0.41 -0.55 8.24 9.08 3hy7A1 VAL 274 HA 0.06 0.31 1.10 -0.75 4.13 4.86 3hy7A1 VAL 274 HB -0.09 -0.05 0.08 -0.04 2.12 2.02 3hy7A1 VAL 274 HG13 -0.19 -0.02 -0.14 -0.04 0.97 0.58 3hy7A1 VAL 274 HG23 0.38 0.02 -0.27 -0.04 0.95 1.04 3hy7A1 ALA 275 H 0.00 0.65 0.43 -0.55 8.40 8.94 3hy7A1 ALA 275 HA 0.06 0.22 1.08 -0.75 4.34 4.94 3hy7A1 ALA 275 HB3 0.01 -0.02 0.07 -0.04 1.41 1.43 3hy7A1 ASP 276 H -0.02 0.41 0.33 -0.55 8.40 8.58 3hy7A1 ASP 276 HA -0.09 0.18 0.71 -0.75 4.63 4.67 3hy7A1 ASP 276 HB2 -0.08 -0.02 0.23 -0.04 2.71 2.80 3hy7A1 ASP 276 HB3 -0.12 0.13 0.10 -0.04 2.70 2.77 3hy7A1 ALA 277 H -0.04 0.19 0.19 -0.55 8.40 8.19 3hy7A1 ALA 277 HA -0.01 0.21 0.48 -0.75 4.34 4.27 3hy7A1 ALA 277 HB3 -0.02 0.04 0.11 -0.04 1.41 1.50 3hy7A1 SER 278 H -0.02 0.07 -0.07 -0.55 8.46 7.90 3hy7A1 SER 278 HA -0.02 0.16 0.44 -0.75 4.49 4.32 3hy7A1 SER 278 HB2 -0.01 0.13 0.06 -0.04 3.95 4.09 3hy7A1 SER 278 HB3 -0.01 0.08 0.12 -0.04 3.93 4.07 3hy7A1 MET 279 H 0.03 0.14 -0.27 -0.55 8.47 7.81 3hy7A1 MET 279 HA 0.14 0.09 0.50 -0.75 4.52 4.49 3hy7A1 MET 279 HB2 0.05 0.19 0.08 -0.04 2.15 2.43 3hy7A1 MET 279 HB3 0.11 0.03 -0.04 -0.04 2.03 2.09 3hy7A1 MET 279 HG2 0.08 -0.22 -0.06 -0.04 2.63 2.39 3hy7A1 MET 279 HG3 0.12 0.11 -0.09 -0.04 2.56 2.66 3hy7A1 MET 279 HE3 0.08 0.01 -0.06 -0.04 2.10 2.09 3hy7A1 ALA 280 H 0.03 0.37 -0.12 -0.55 8.40 8.14 3hy7A1 ALA 280 HA 0.05 0.04 0.46 -0.75 4.34 4.13 3hy7A1 ALA 280 HB3 0.01 0.05 0.09 -0.04 1.41 1.52 3hy7A1 ARG 281 H -0.00 0.48 -0.10 -0.55 8.46 8.28 3hy7A1 ARG 281 HA -0.02 0.04 0.43 -0.75 4.34 4.04 3hy7A1 ARG 281 HB2 -0.03 0.04 0.14 -0.04 1.90 2.01 3hy7A1 ARG 281 HB3 -0.04 0.01 0.02 -0.04 1.80 1.75 3hy7A1 ARG 281 HG2 -0.02 -0.01 0.03 -0.04 1.67 1.62 3hy7A1 ARG 281 HG3 -0.01 0.19 0.07 -0.04 1.67 1.88 3hy7A1 ARG 281 HD2 -0.02 -0.02 -0.02 -0.04 3.22 3.12 3hy7A1 ARG 281 HD3 -0.02 0.02 -0.01 -0.04 3.22 3.17 3hy7A1 LYS 282 H -0.05 0.36 -0.19 -0.55 8.42 7.99 3hy7A1 LYS 282 HA -0.20 0.07 0.48 -0.75 4.32 3.91 3hy7A1 LYS 282 HB2 -0.19 -0.01 0.13 -0.04 1.87 1.76 3hy7A1 LYS 282 HB3 -0.24 -0.01 0.18 -0.04 1.79 1.68 3hy7A1 LYS 282 HG2 -0.72 -0.06 -0.05 -0.04 1.46 0.59 3hy7A1 LYS 282 HG3 -1.18 0.03 -0.28 -0.04 1.46 -0.02 3hy7A1 LYS 282 HD2 -0.27 0.02 0.07 -0.04 1.69 1.47 3hy7A1 LYS 282 HD3 -0.23 -0.02 0.00 -0.04 1.68 1.40 3hy7A1 LYS 282 HE2 -0.31 -0.02 -0.04 -0.04 2.99 2.58 3hy7A1 LYS 282 HE3 -0.49 0.00 -0.03 -0.04 2.99 2.43 3hy7A1 TYR 283 H 0.03 0.46 -0.08 -0.55 8.29 8.14 3hy7A1 TYR 283 HA -0.10 0.18 0.66 -0.75 4.56 4.55 3hy7A1 TYR 283 HB2 -0.06 0.09 0.02 -0.04 3.06 3.06 3hy7A1 TYR 283 HB3 -0.07 -0.12 -0.19 -0.04 2.98 2.55 3hy7A1 TYR 283 HD2 -0.18 0.09 0.00 -0.04 7.15 7.02 3hy7A1 TYR 283 HE2 -0.44 -0.02 -0.05 -0.04 6.85 6.30 3hy7A1 GLY 284 H 0.03 0.46 -0.07 -0.55 8.43 8.30 3hy7A1 GLY 284 HA2 0.02 0.16 0.38 -0.51 4.01 4.05 3hy7A1 GLY 284 HA3 0.01 0.01 0.44 -0.51 4.01 3.96 3hy7A1 ARG 285 H 0.02 0.19 0.22 -0.55 8.46 8.34 3hy7A1 ARG 285 HA 0.02 0.08 0.40 -0.75 4.34 4.09 3hy7A1 ARG 285 HB2 0.01 0.04 0.14 -0.04 1.90 2.05 3hy7A1 ARG 285 HB3 0.01 0.02 0.17 -0.04 1.80 1.96 3hy7A1 ARG 285 HG2 0.01 0.01 0.02 -0.04 1.67 1.67 3hy7A1 ARG 285 HG3 0.01 -0.03 0.07 -0.04 1.67 1.67 3hy7A1 ARG 285 HD2 0.00 0.02 0.05 -0.04 3.22 3.25 3hy7A1 ARG 285 HD3 0.01 0.01 0.03 -0.04 3.22 3.23 3hy7A1 GLY 286 H 0.05 0.39 -0.30 -0.55 8.43 8.02 3hy7A1 GLY 286 HA2 0.05 0.07 0.63 -0.51 4.01 4.26 3hy7A1 GLY 286 HA3 0.07 0.10 0.30 -0.51 4.01 3.97 3hy7A1 LEU 287 H 0.06 0.50 -0.42 -0.55 8.37 7.97 3hy7A1 LEU 287 HA -0.04 0.02 0.21 -0.75 4.35 3.79 3hy7A1 LEU 287 HB2 0.08 0.12 -0.00 -0.04 1.64 1.80 3hy7A1 LEU 287 HB3 0.03 0.01 0.04 -0.04 1.64 1.68 3hy7A1 LEU 287 HG -0.04 -0.02 -0.33 -0.04 1.64 1.21 3hy7A1 LEU 287 HD13 -0.04 0.00 -0.08 -0.04 0.93 0.76 3hy7A1 LEU 287 HD23 0.02 -0.01 -0.17 -0.04 0.89 0.69 3hy7A1 GLN 288 H 0.02 0.22 -0.17 -0.55 8.47 7.99 3hy7A1 GLN 288 HA -0.05 0.04 0.31 -0.75 4.36 3.91 3hy7A1 GLN 288 HB2 0.01 0.03 0.05 -0.04 2.15 2.19 3hy7A1 GLN 288 HB3 0.03 0.04 0.02 -0.04 2.02 2.07 3hy7A1 GLN 288 HG2 -0.01 -0.01 -0.16 -0.04 2.40 2.18 3hy7A1 GLN 288 HG3 -0.01 -0.02 -0.01 -0.04 2.39 2.31 3hy7A1 GLN 288 HE21 0.02 0.05 -0.02 -0.04 6.97 6.98 3hy7A1 GLN 288 HE22 0.01 -0.03 -0.03 -0.04 7.69 7.60 3hy7A1 HIS 289 H 0.11 0.16 -0.23 -0.55 8.41 7.91 3hy7A1 HIS 289 HA -0.03 0.05 0.44 -0.75 4.63 4.33 3hy7A1 HIS 289 HB2 -0.01 0.01 0.09 -0.04 3.26 3.31 3hy7A1 HIS 289 HB3 0.00 0.13 0.10 -0.04 3.20 3.39 3hy7A1 HIS 289 HD2 0.03 0.02 -0.13 -0.04 6.97 6.84 3hy7A1 HIS 289 HE1 -0.01 0.03 -0.02 -0.04 7.75 7.71 3hy7A1 TYR 290 H 0.08 0.52 -0.19 -0.55 8.29 8.14 3hy7A1 TYR 290 HA -0.25 0.02 0.40 -0.75 4.56 3.97 3hy7A1 TYR 290 HB2 -0.28 0.05 0.07 -0.04 3.06 2.86 3hy7A1 TYR 290 HB3 -0.49 0.14 0.14 -0.04 2.98 2.73 3hy7A1 TYR 290 HD2 -0.50 0.04 -0.04 -0.04 7.15 6.61 3hy7A1 TYR 290 HE2 -0.21 -0.01 -0.05 -0.04 6.85 6.54 3hy7A1 LEU 291 H -0.21 0.60 -0.08 -0.55 8.37 8.13 3hy7A1 LEU 291 HA -0.67 -0.05 0.36 -0.75 4.35 3.24 3hy7A1 LEU 291 HB2 -0.20 0.11 0.09 -0.04 1.64 1.60 3hy7A1 LEU 291 HB3 -0.33 -0.03 -0.03 -0.04 1.64 1.21 3hy7A1 LEU 291 HG -0.24 0.21 -0.01 -0.04 1.64 1.56 3hy7A1 LEU 291 HD13 -0.13 -0.02 -0.17 -0.04 0.93 0.57 3hy7A1 LEU 291 HD23 -0.88 -0.03 -0.07 -0.04 0.89 -0.13 3hy7A1 LEU 292 H -0.19 0.62 -0.13 -0.55 8.37 8.12 3hy7A1 LEU 292 HA -0.12 0.02 0.47 -0.75 4.35 3.97 3hy7A1 LEU 292 HB2 -0.13 0.09 0.13 -0.04 1.64 1.68 3hy7A1 LEU 292 HB3 -0.08 -0.00 0.04 -0.04 1.64 1.55 3hy7A1 LEU 292 HG -0.07 0.08 0.03 -0.04 1.64 1.65 3hy7A1 LEU 292 HD13 -0.01 -0.02 -0.06 -0.04 0.93 0.80 3hy7A1 LEU 292 HD23 -0.03 0.00 -0.03 -0.04 0.89 0.79 3hy7A1 THR 293 H -0.35 0.59 -0.19 -0.55 8.28 7.78 3hy7A1 THR 293 HA -0.20 0.03 0.50 -0.75 4.39 3.97 3hy7A1 THR 293 HB -0.35 0.11 0.19 -0.04 4.32 4.23 3hy7A1 THR 293 HG23 -0.14 -0.03 -0.06 -0.04 1.22 0.96 3hy7A1 LEU 294 H -0.45 0.60 -0.06 -0.55 8.37 7.91 3hy7A1 LEU 294 HA -0.22 -0.07 0.41 -0.75 4.35 3.72 3hy7A1 LEU 294 HB2 -0.39 0.23 0.15 -0.04 1.64 1.59 3hy7A1 LEU 294 HB3 -0.14 -0.07 -0.07 -0.04 1.64 1.31 3hy7A1 LEU 294 HG -1.13 0.28 0.01 -0.04 1.64 0.75 3hy7A1 LEU 294 HD13 -0.57 -0.02 -0.10 -0.04 0.93 0.20 3hy7A1 LEU 294 HD23 -0.34 -0.05 -0.07 -0.04 0.89 0.39 3hy7A1 ALA 295 H -0.14 0.56 -0.17 -0.55 8.40 8.10 3hy7A1 ALA 295 HA 0.04 -0.02 0.33 -0.75 4.34 3.93 3hy7A1 ALA 295 HB3 -0.01 0.03 0.04 -0.04 1.41 1.43 3hy7A1 SER 296 H -0.07 0.60 -0.18 -0.55 8.46 8.26 3hy7A1 SER 296 HA 0.01 0.04 0.44 -0.75 4.49 4.22 3hy7A1 SER 296 HB2 -0.04 0.07 0.14 -0.04 3.95 4.07 3hy7A1 SER 296 HB3 -0.06 0.08 0.20 -0.04 3.93 4.10 3hy7A1 ILE 297 H -0.05 0.56 -0.10 -0.55 8.25 8.11 3hy7A1 ILE 297 HA 0.01 0.04 0.47 -0.75 4.18 3.95 3hy7A1 ILE 297 HB -0.06 0.07 0.17 -0.04 1.89 2.03 3hy7A1 ILE 297 HG12 -0.05 -0.02 0.02 -0.04 1.49 1.40 3hy7A1 ILE 297 HG13 -0.07 0.12 0.07 -0.04 1.21 1.29 3hy7A1 ILE 297 HG23 -0.04 -0.02 -0.15 -0.04 0.93 0.68 3hy7A1 ILE 297 HD13 -0.13 -0.04 -0.07 -0.04 0.88 0.60 3hy7A1 ALA 298 H 0.05 0.61 -0.03 -0.55 8.40 8.48 3hy7A1 ALA 298 HA 0.17 -0.04 0.40 -0.75 4.34 4.12 3hy7A1 ALA 298 HB3 0.18 0.02 0.06 -0.04 1.41 1.64 3hy7A1 ASN 299 H 0.11 0.71 -0.13 -0.55 8.53 8.67 3hy7A1 ASN 299 HA 0.21 -0.02 0.51 -0.75 4.76 4.71 3hy7A1 ASN 299 HB2 0.07 0.01 0.15 -0.04 2.88 3.06 3hy7A1 ASN 299 HB3 0.07 0.11 0.19 -0.04 2.79 3.11 3hy7A1 ASN 299 HD21 0.05 -0.01 -0.02 -0.04 7.03 7.00 3hy7A1 ASN 299 HD22 0.05 0.02 -0.04 -0.04 7.74 7.72 3hy7A1 ARG 300 H 0.09 0.51 -0.14 -0.55 8.46 8.36 3hy7A1 ARG 300 HA 0.09 0.03 0.45 -0.75 4.34 4.15 3hy7A1 ARG 300 HB2 0.05 0.05 0.17 -0.04 1.90 2.13 3hy7A1 ARG 300 HB3 0.07 0.08 0.19 -0.04 1.80 2.09 3hy7A1 ARG 300 HG2 0.07 -0.03 -0.09 -0.04 1.67 1.57 3hy7A1 ARG 300 HG3 0.07 -0.01 0.06 -0.04 1.67 1.74 3hy7A1 ARG 300 HD2 0.04 -0.04 -0.00 -0.04 3.22 3.17 3hy7A1 ARG 300 HD3 0.04 -0.00 0.01 -0.04 3.22 3.22 3hy7A1 LEU 301 H 0.12 0.50 -0.11 -0.55 8.37 8.34 3hy7A1 LEU 301 HA 0.05 -0.02 0.49 -0.75 4.35 4.12 3hy7A1 LEU 301 HB2 0.08 0.17 0.16 -0.04 1.64 2.01 3hy7A1 LEU 301 HB3 -0.24 -0.07 -0.01 -0.04 1.64 1.27 3hy7A1 LEU 301 HG 0.07 0.14 0.02 -0.04 1.64 1.83 3hy7A1 LEU 301 HD13 0.17 -0.04 -0.11 -0.04 0.93 0.91 3hy7A1 LEU 301 HD23 -0.11 -0.02 -0.01 -0.04 0.89 0.70 3hy7A1 TYR 302 H 0.35 0.53 -0.11 -0.55 8.29 8.51 3hy7A1 TYR 302 HA 0.39 -0.04 0.46 -0.75 4.56 4.62 3hy7A1 TYR 302 HB2 0.12 0.03 0.11 -0.04 3.06 3.28 3hy7A1 TYR 302 HB3 0.04 0.11 -0.07 -0.04 2.98 3.02 3hy7A1 TYR 302 HD2 0.01 0.11 -0.06 -0.04 7.15 7.17 3hy7A1 TYR 302 HE2 -0.09 -0.05 -0.07 -0.04 6.85 6.60 3hy7A1 SER 303 H 0.20 0.29 -0.41 -0.55 8.46 7.99 3hy7A1 SER 303 HA 0.03 0.11 0.54 -0.75 4.49 4.42 3hy7A1 SER 303 HB2 0.08 0.10 0.13 -0.04 3.95 4.23 3hy7A1 SER 303 HB3 0.02 -0.12 0.12 -0.04 3.93 3.91 3hy7A1 HIS 304 H 0.32 0.38 -0.38 -0.55 8.41 8.19 3hy7A1 HIS 304 HA 0.08 -0.01 0.38 -0.75 4.63 4.32 3hy7A1 HIS 304 HB2 0.10 0.13 0.20 -0.04 3.26 3.65 3hy7A1 HIS 304 HB3 0.29 -0.06 0.12 -0.04 3.20 3.51 3hy7A1 HIS 304 HD2 0.01 0.05 0.08 -0.04 6.97 7.07 3hy7A1 HIS 304 HE1 0.03 0.16 0.05 -0.04 7.75 7.94 3hy7A1 ALA 305 H -0.31 0.13 0.23 -0.55 8.40 7.90 3hy7A1 ALA 305 HA 0.03 0.15 0.36 -0.75 4.34 4.13 3hy7A1 ALA 305 HB3 -0.05 0.01 0.13 -0.04 1.41 1.46 3hy7A1 SER 306 H 0.68 0.04 -0.39 -0.55 8.46 8.24 3hy7A1 SER 306 HA 0.16 0.09 0.42 -0.75 4.49 4.40 3hy7A1 SER 306 HB2 0.16 0.12 0.09 -0.04 3.95 4.27 3hy7A1 SER 306 HB3 0.25 0.03 0.11 -0.04 3.93 4.28 3hy7A1 ILE 307 H 0.18 0.54 -0.30 -0.55 8.25 8.12 3hy7A1 ILE 307 HA -0.16 0.00 0.60 -0.75 4.18 3.87 3hy7A1 ILE 307 HB -0.66 -0.03 0.04 -0.04 1.89 1.20 3hy7A1 ILE 307 HG12 -0.32 0.01 -0.02 -0.04 1.49 1.13 3hy7A1 ILE 307 HG13 -0.71 -0.12 -0.02 -0.04 1.21 0.31 3hy7A1 ILE 307 HG23 -0.05 0.05 -0.03 -0.04 0.93 0.85 3hy7A1 ILE 307 HD13 -1.01 0.00 -0.05 -0.04 0.88 -0.22 3hy7A1 GLU 308 H 0.04 0.32 -0.21 -0.55 8.60 8.20 3hy7A1 GLU 308 HA 0.03 0.04 0.27 -0.75 4.29 3.88 3hy7A1 GLU 308 HB2 0.01 0.14 -0.26 -0.04 2.09 1.94 3hy7A1 GLU 308 HB3 0.03 -0.05 0.13 -0.04 1.99 2.05 3hy7A1 GLU 308 HG2 0.04 0.04 -0.01 -0.04 2.34 2.37 3hy7A1 GLU 308 HG3 0.04 0.09 -0.36 -0.04 2.34 2.07 3hy7A1 ASN 309 H -0.00 0.22 -0.38 -0.55 8.53 7.82 3hy7A1 ASN 309 HA 0.05 0.12 0.60 -0.75 4.76 4.77 3hy7A1 ASN 309 HB2 -0.01 -0.03 -0.19 -0.04 2.88 2.61 3hy7A1 ASN 309 HB3 0.03 0.02 -0.11 -0.04 2.79 2.69 3hy7A1 ASN 309 HD21 0.01 -0.05 -0.10 -0.04 7.03 6.85 3hy7A1 ASN 309 HD22 -0.03 0.27 -0.14 -0.04 7.74 7.80 3hy7A1 HIS 310 H 0.14 0.23 -0.01 -0.55 8.41 8.22 3hy7A1 HIS 310 HA 0.03 0.17 0.78 -0.75 4.63 4.86 3hy7A1 HIS 310 HB2 0.02 0.01 0.03 -0.04 3.26 3.28 3hy7A1 HIS 310 HB3 0.02 -0.00 0.16 -0.04 3.20 3.33 3hy7A1 HIS 310 HD2 0.02 -0.01 -0.03 -0.04 6.97 6.90 3hy7A1 HIS 310 HE1 0.03 -0.01 -0.14 -0.04 7.75 7.58 3hy7A1 ILE 311 H -0.09 0.40 0.10 -0.55 8.25 8.12 3hy7A1 ILE 311 HA 0.03 0.27 0.94 -0.75 4.18 4.66 3hy7A1 ILE 311 HB 0.07 0.06 0.01 -0.04 1.89 1.98 3hy7A1 ILE 311 HG12 0.01 0.05 -0.20 -0.04 1.49 1.30 3hy7A1 ILE 311 HG13 0.01 -0.09 -0.61 -0.04 1.21 0.48 3hy7A1 ILE 311 HG23 -0.19 -0.03 -0.20 -0.04 0.93 0.46 3hy7A1 ILE 311 HD13 -0.04 -0.01 -0.13 -0.04 0.88 0.66 3hy7A1 ARG 312 H 0.01 0.65 0.30 -0.55 8.46 8.88 3hy7A1 ARG 312 HA 0.01 0.14 0.75 -0.75 4.34 4.48 3hy7A1 ARG 312 HB2 0.07 0.04 0.01 -0.04 1.90 1.98 3hy7A1 ARG 312 HB3 0.04 0.00 0.01 -0.04 1.80 1.81 3hy7A1 ARG 312 HG2 -0.14 -0.02 -0.39 -0.04 1.67 1.08 3hy7A1 ARG 312 HG3 0.07 -0.04 -0.10 -0.04 1.67 1.57 3hy7A1 ARG 312 HD2 -0.02 -0.08 -0.01 -0.04 3.22 3.07 3hy7A1 ARG 312 HD3 -0.02 0.06 0.17 -0.04 3.22 3.40 3hy7A1 LEU 313 H 0.03 0.17 0.15 -0.55 8.37 8.17 3hy7A1 LEU 313 HA -0.01 0.19 0.96 -0.75 4.35 4.74 3hy7A1 LEU 313 HB2 0.04 -0.02 0.05 -0.04 1.64 1.67 3hy7A1 LEU 313 HB3 0.01 0.02 -0.02 -0.04 1.64 1.61 3hy7A1 LEU 313 HG 0.02 0.00 -0.11 -0.04 1.64 1.51 3hy7A1 LEU 313 HD13 0.11 0.00 -0.17 -0.04 0.93 0.83 3hy7A1 LEU 313 HD23 -0.26 0.02 -0.21 -0.04 0.89 0.40 3hy7A1 ALA 314 H 0.03 0.84 0.27 -0.55 8.40 8.99 3hy7A1 ALA 314 HA 0.03 0.13 0.84 -0.75 4.34 4.59 3hy7A1 ALA 314 HB3 0.05 0.02 -0.05 -0.04 1.41 1.38 3hy7A1 VAL 315 H 0.03 0.21 0.10 -0.55 8.24 8.04 3hy7A1 VAL 315 HA 0.04 0.17 0.96 -0.75 4.13 4.54 3hy7A1 VAL 315 HB 0.02 0.05 0.15 -0.04 2.12 2.29 3hy7A1 VAL 315 HG13 0.02 -0.02 -0.14 -0.04 0.97 0.79 3hy7A1 VAL 315 HG23 0.02 -0.00 -0.06 -0.04 0.95 0.86 3hy7A1 VAL 316 H 0.05 0.63 0.38 -0.55 8.24 8.75 3hy7A1 VAL 316 HA 0.06 0.20 0.84 -0.75 4.13 4.48 3hy7A1 VAL 316 HB 0.10 0.09 0.12 -0.04 2.12 2.40 3hy7A1 VAL 316 HG13 0.08 0.08 0.01 -0.04 0.97 1.10 3hy7A1 VAL 316 HG23 0.14 0.05 -0.25 -0.04 0.95 0.85 3hy7A1 LYS 317 H 0.04 0.30 0.20 -0.55 8.42 8.40 3hy7A1 LYS 317 HA 0.05 0.08 0.67 -0.75 4.32 4.37 3hy7A1 LYS 317 HB2 0.09 0.13 -0.38 -0.04 1.87 1.67 3hy7A1 LYS 317 HB3 -0.00 -0.08 -0.04 -0.04 1.79 1.63 3hy7A1 LYS 317 HG2 0.05 -0.03 -0.14 -0.04 1.46 1.30 3hy7A1 LYS 317 HG3 0.07 0.01 0.06 -0.04 1.46 1.56 3hy7A1 LYS 317 HD2 0.13 0.07 -0.04 -0.04 1.69 1.80 3hy7A1 LYS 317 HD3 0.11 -0.00 -0.09 -0.04 1.68 1.66 3hy7A1 LYS 317 HE2 0.08 -0.07 -0.08 -0.04 2.99 2.87 3hy7A1 LYS 317 HE3 0.07 -0.03 -0.02 -0.04 2.99 2.97 3hy7A1 VAL 318 H 0.04 0.28 0.17 -0.55 8.24 8.17 3hy7A1 VAL 318 HA 0.03 0.27 0.92 -0.75 4.13 4.60 3hy7A1 VAL 318 HB 0.02 -0.02 0.09 -0.04 2.12 2.16 3hy7A1 VAL 318 HG13 -0.00 -0.02 -0.13 -0.04 0.97 0.77 3hy7A1 VAL 318 HG23 0.00 -0.01 -0.13 -0.04 0.95 0.77 3hy7A1 VAL 319 H 0.06 0.75 0.36 -0.55 8.24 8.86 3hy7A1 VAL 319 HA 0.07 0.16 0.93 -0.75 4.13 4.53 3hy7A1 VAL 319 HB 0.18 -0.03 0.05 -0.04 2.12 2.28 3hy7A1 VAL 319 HG13 0.21 -0.01 -0.21 -0.04 0.97 0.92 3hy7A1 VAL 319 HG23 0.13 0.02 -0.21 -0.04 0.95 0.85 3hy7A1 VAL 320 H 0.04 0.23 0.13 -0.55 8.24 8.09 3hy7A1 VAL 320 HA 0.00 0.20 1.03 -0.75 4.13 4.60 3hy7A1 VAL 320 HB 0.02 -0.01 0.10 -0.04 2.12 2.19 3hy7A1 VAL 320 HG13 0.01 0.02 -0.11 -0.04 0.97 0.85 3hy7A1 VAL 320 HG23 0.01 -0.01 -0.12 -0.04 0.95 0.79 3hy7A1 LEU 321 H -0.04 0.68 0.30 -0.55 8.37 8.76 3hy7A1 LEU 321 HA -0.01 0.10 0.67 -0.75 4.35 4.35 3hy7A1 LEU 321 HB2 -0.10 -0.19 0.16 -0.04 1.64 1.47 3hy7A1 LEU 321 HB3 -0.11 0.01 0.07 -0.04 1.64 1.56 3hy7A1 LEU 321 HG -0.20 0.07 -0.10 -0.04 1.64 1.37 3hy7A1 LEU 321 HD13 -0.37 -0.02 -0.10 -0.04 0.93 0.39 3hy7A1 LEU 321 HD23 -0.42 0.02 -0.12 -0.04 0.89 0.33 3hy7A1 GLY 322 H 0.01 0.09 0.10 -0.55 8.43 8.09 3hy7A1 GLY 322 HA2 -0.00 0.16 0.73 -0.51 4.01 4.39 3hy7A1 GLY 322 HA3 0.01 0.04 0.35 -0.51 4.01 3.90 3hy7A1 ASP 323 H 0.02 0.22 0.11 -0.55 8.40 8.21 3hy7A1 ASP 323 HA 0.02 0.17 0.64 -0.75 4.63 4.70 3hy7A1 LYS 324 H 0.04 0.06 -0.42 -0.55 8.42 7.55 3hy7A1 LYS 324 HA 0.05 0.17 0.65 -0.75 4.32 4.44 3hy7A1 ASP 325 H 0.04 0.45 0.13 -0.55 8.40 8.47 3hy7A1 ASP 325 HA 0.04 0.05 0.26 -0.75 4.63 4.23 3hy7A1 LYS 326 H 0.04 -0.05 -0.68 -0.55 8.42 7.18 3hy7A1 LYS 326 HA 0.02 -0.00 0.21 -0.75 4.32 3.79 3hy7A1 SER 327 H 0.07 0.14 -0.12 -0.55 8.46 8.01 3hy7A1 SER 327 HA 0.22 0.10 0.27 -0.75 4.49 4.33 3hy7A1 SER 327 HB2 -0.02 -0.15 0.08 -0.04 3.95 3.82 3hy7A1 SER 327 HB3 -0.09 0.03 -0.08 -0.04 3.93 3.75 3hy7A1 LEU 328 H -0.08 0.14 -0.11 -0.55 8.37 7.78 3hy7A1 LEU 328 HA 0.04 0.14 0.59 -0.75 4.35 4.37 3hy7A1 LEU 328 HB2 0.01 0.05 0.02 -0.04 1.64 1.68 3hy7A1 LEU 328 HB3 -0.37 0.05 -0.39 -0.04 1.64 0.88 3hy7A1 LEU 328 HG -0.24 -0.12 -0.29 -0.04 1.64 0.94 3hy7A1 LEU 328 HD13 0.01 0.03 -0.28 -0.04 0.93 0.65 3hy7A1 LEU 328 HD23 -0.71 -0.00 -0.15 -0.04 0.89 -0.01 3hy7A1 GLU 329 H 0.02 0.20 0.09 -0.55 8.60 8.36 3hy7A1 GLU 329 HA -0.02 0.11 0.72 -0.75 4.29 4.35 3hy7A1 GLU 329 HB2 0.02 -0.01 0.09 -0.04 2.09 2.14 3hy7A1 GLU 329 HB3 0.00 -0.00 -0.10 -0.04 1.99 1.85 3hy7A1 GLU 329 HG2 0.01 0.04 -0.09 -0.04 2.34 2.26 3hy7A1 GLU 329 HG3 0.02 0.04 -0.04 -0.04 2.34 2.33 3hy7A1 VAL 330 H -0.04 0.17 0.14 -0.55 8.24 7.96 3hy7A1 VAL 330 HA -0.03 0.15 0.80 -0.75 4.13 4.29 3hy7A1 VAL 330 HB -0.05 -0.06 0.17 -0.04 2.12 2.14 3hy7A1 VAL 330 HG13 -0.05 -0.02 -0.16 -0.04 0.97 0.70 3hy7A1 VAL 330 HG23 -0.10 0.01 -0.09 -0.04 0.95 0.73 3hy7A1 SER 331 H -0.01 0.20 0.08 -0.55 8.46 8.18 3hy7A1 SER 331 HA -0.01 0.24 0.88 -0.75 4.49 4.85 3hy7A1 SER 331 HB2 -0.00 0.02 0.08 -0.04 3.95 4.01 3hy7A1 SER 331 HB3 0.00 0.08 -0.10 -0.04 3.93 3.87 3hy7A1 LYS 332 H -0.01 0.18 0.10 -0.55 8.42 8.14 3hy7A1 LYS 332 HA -0.01 0.16 0.31 -0.75 4.32 4.02 3hy7A1 LYS 332 HB2 -0.01 -0.04 0.09 -0.04 1.87 1.87 3hy7A1 LYS 332 HB3 -0.01 0.06 0.12 -0.04 1.79 1.91 3hy7A1 LYS 332 HG2 -0.01 0.03 -0.04 -0.04 1.46 1.40 3hy7A1 LYS 332 HG3 -0.01 -0.07 0.02 -0.04 1.46 1.36 3hy7A1 LYS 332 HD2 -0.01 -0.03 0.03 -0.04 1.69 1.64 3hy7A1 LYS 332 HD3 -0.01 0.14 0.09 -0.04 1.68 1.86 3hy7A1 LYS 332 HE2 -0.01 0.03 0.04 -0.04 2.99 3.01 3hy7A1 LYS 332 HE3 -0.01 -0.16 0.08 -0.04 2.99 2.86 3hy7A1 ASN 333 H -0.00 0.03 -0.29 -0.55 8.53 7.71 3hy7A1 ASN 333 HA -0.01 0.28 0.85 -0.75 4.76 5.12 3hy7A1 ASN 333 HB2 0.00 0.09 0.07 -0.04 2.88 3.00 3hy7A1 ASN 333 HB3 0.01 -0.05 0.13 -0.04 2.79 2.83 3hy7A1 ASN 333 HD21 0.02 0.05 -0.02 -0.04 7.03 7.04 3hy7A1 ASN 333 HD22 0.01 0.06 -0.00 -0.04 7.74 7.77 3hy7A1 ALA 334 H -0.01 0.72 0.25 -0.55 8.40 8.80 3hy7A1 ALA 334 HA -0.01 0.07 0.15 -0.75 4.34 3.80 3hy7A1 ALA 334 HB3 -0.01 0.01 -0.11 -0.04 1.41 1.25 3hy7A1 ALA 335 H 0.02 0.17 -0.15 -0.55 8.40 7.89 3hy7A1 ALA 335 HA 0.04 0.10 0.31 -0.75 4.34 4.03 3hy7A1 ALA 335 HB3 0.04 0.03 0.02 -0.04 1.41 1.46 3hy7A1 THR 336 H 0.02 0.09 -0.24 -0.55 8.28 7.60 3hy7A1 THR 336 HA 0.03 0.11 0.46 -0.75 4.39 4.24 3hy7A1 THR 336 HB 0.02 0.02 0.07 -0.04 4.32 4.39 3hy7A1 THR 336 HG23 0.03 0.02 -0.05 -0.04 1.22 1.18 3hy7A1 THR 337 H 0.02 0.60 -0.07 -0.55 8.28 8.28 3hy7A1 THR 337 HA 0.04 0.07 0.50 -0.75 4.39 4.25 3hy7A1 THR 337 HB 0.00 0.08 0.04 -0.04 4.32 4.40 3hy7A1 THR 337 HG23 -0.03 0.00 -0.12 -0.04 1.22 1.03 3hy7A1 LEU 338 H 0.05 0.73 -0.16 -0.55 8.37 8.44 3hy7A1 LEU 338 HA 0.15 -0.00 0.38 -0.75 4.35 4.13 3hy7A1 LEU 338 HB2 0.06 -0.03 0.02 -0.04 1.64 1.65 3hy7A1 LEU 338 HB3 0.06 0.08 0.11 -0.04 1.64 1.85 3hy7A1 LEU 338 HG 0.09 0.04 -0.25 -0.04 1.64 1.48 3hy7A1 LEU 338 HD13 0.14 0.04 -0.18 -0.04 0.93 0.89 3hy7A1 LEU 338 HD23 0.05 -0.04 -0.16 -0.04 0.89 0.70 3hy7A1 LYS 339 H 0.06 0.57 -0.11 -0.55 8.42 8.39 3hy7A1 LYS 339 HA 0.06 0.04 0.38 -0.75 4.32 4.04 3hy7A1 LYS 339 HB2 0.04 0.02 0.14 -0.04 1.87 2.03 3hy7A1 LYS 339 HB3 0.05 0.06 0.22 -0.04 1.79 2.08 3hy7A1 LYS 339 HG2 0.04 0.00 -0.18 -0.04 1.46 1.29 3hy7A1 LYS 339 HG3 0.03 0.00 0.03 -0.04 1.46 1.48 3hy7A1 LYS 339 HD2 0.03 -0.02 -0.01 -0.04 1.69 1.64 3hy7A1 LYS 339 HD3 0.03 -0.04 -0.00 -0.04 1.68 1.63 3hy7A1 LYS 339 HE2 0.03 0.01 -0.03 -0.04 2.99 2.95 3hy7A1 LYS 339 HE3 0.02 0.02 -0.02 -0.04 2.99 2.97 3hy7A1 ASN 340 H 0.09 0.62 -0.09 -0.55 8.53 8.59 3hy7A1 ASN 340 HA 0.10 0.05 0.50 -0.75 4.76 4.66 3hy7A1 ASN 340 HB2 0.08 0.08 0.17 -0.04 2.88 3.17 3hy7A1 ASN 340 HB3 0.10 -0.07 0.07 -0.04 2.79 2.85 3hy7A1 ASN 340 HD21 0.04 -0.05 -0.02 -0.04 7.03 6.96 3hy7A1 ASN 340 HD22 0.04 -0.00 -0.04 -0.04 7.74 7.70 3hy7A1 PHE 341 H 0.23 0.68 -0.08 -0.55 8.34 8.61 3hy7A1 PHE 341 HA 0.10 -0.03 0.43 -0.75 4.62 4.37 3hy7A1 PHE 341 HB2 -0.03 -0.06 0.03 -0.04 3.15 3.05 3hy7A1 PHE 341 HB3 0.03 0.10 0.08 -0.04 3.06 3.23 3hy7A1 PHE 341 HD2 -0.07 -0.00 -0.12 -0.04 7.28 7.04 3hy7A1 PHE 341 HE2 -0.01 0.08 -0.21 -0.04 7.38 7.19 3hy7A1 PHE 341 HZ 0.05 -0.00 -0.40 -0.04 7.32 6.93 3hy7A1 CYS 342 H 0.13 0.65 -0.17 -0.55 8.50 8.56 3hy7A1 CYS 342 HA -0.13 -0.00 0.30 -0.75 4.58 3.99 3hy7A1 CYS 342 HB2 0.05 0.04 0.15 -0.04 2.97 3.17 3hy7A1 CYS 342 HB3 0.01 0.30 0.11 -0.04 2.97 3.36 3hy7A1 LYS 343 H 0.08 0.42 -0.19 -0.55 8.42 8.18 3hy7A1 LYS 343 HA 0.05 0.04 0.53 -0.75 4.32 4.19 3hy7A1 LYS 343 HB2 0.11 0.08 0.20 -0.04 1.87 2.23 3hy7A1 LYS 343 HB3 0.08 -0.05 0.02 -0.04 1.79 1.80 3hy7A1 LYS 343 HG2 0.02 -0.04 0.05 -0.04 1.46 1.45 3hy7A1 LYS 343 HG3 0.04 0.14 0.09 -0.04 1.46 1.69 3hy7A1 LYS 343 HD2 0.06 -0.03 -0.01 -0.04 1.69 1.68 3hy7A1 LYS 343 HD3 0.04 -0.03 0.01 -0.04 1.68 1.66 3hy7A1 LYS 343 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.95 3hy7A1 LYS 343 HE3 0.03 0.02 -0.04 -0.04 2.99 2.96 3hy7A1 TRP 344 H 0.28 0.54 -0.07 -0.55 7.97 8.18 3hy7A1 TRP 344 HA 0.11 0.01 0.39 -0.75 4.62 4.37 3hy7A1 TRP 344 HB2 0.10 0.03 0.11 -0.04 3.23 3.43 3hy7A1 TRP 344 HB3 0.02 0.07 0.16 -0.04 3.23 3.44 3hy7A1 TRP 344 HD1 0.16 0.17 -0.04 -0.04 7.22 7.47 3hy7A1 TRP 344 HE1 -0.02 -0.05 -0.07 -0.04 10.20 10.02 3hy7A1 TRP 344 HE3 -0.13 0.11 -0.25 -0.04 7.59 7.28 3hy7A1 TRP 344 HZ2 -0.31 -0.04 -0.10 -0.04 7.44 6.95 3hy7A1 TRP 344 HZ3 0.06 0.00 -0.17 -0.04 7.13 6.99 3hy7A1 TRP 344 HH2 -0.09 -0.03 -0.13 -0.04 7.19 6.90 3hy7A1 GLN 345 H 0.07 0.72 -0.10 -0.55 8.47 8.61 3hy7A1 GLN 345 HA -0.08 -0.02 0.30 -0.75 4.36 3.80 3hy7A1 GLN 345 HB2 0.08 -0.03 -0.05 -0.04 2.15 2.10 3hy7A1 GLN 345 HB3 -0.38 -0.10 -0.03 -0.04 2.02 1.47 3hy7A1 GLN 345 HG2 -0.51 -0.13 -0.12 -0.04 2.40 1.60 3hy7A1 GLN 345 HG3 -0.20 0.16 0.11 -0.04 2.39 2.41 3hy7A1 GLN 345 HE21 0.08 0.43 -0.00 -0.04 6.97 7.43 3hy7A1 GLN 345 HE22 0.01 0.07 -0.01 -0.04 7.69 7.72 3hy7A1 HIS 346 H 0.08 0.46 -0.26 -0.55 8.41 8.14 3hy7A1 HIS 346 HA -0.08 0.06 0.50 -0.75 4.63 4.35 3hy7A1 HIS 346 HB2 -0.04 0.13 0.12 -0.04 3.26 3.44 3hy7A1 HIS 346 HB3 -0.05 0.07 0.15 -0.04 3.20 3.33 3hy7A1 HIS 346 HD2 -0.05 0.00 -0.31 -0.04 6.97 6.58 3hy7A1 HIS 346 HE1 -0.05 -0.03 -0.05 -0.04 7.75 7.58 3hy7A1 GLN 347 H -0.07 0.51 -0.10 -0.55 8.47 8.28 3hy7A1 GLN 347 HA -0.23 0.00 0.43 -0.75 4.36 3.81 3hy7A1 GLN 347 HB2 -0.11 -0.03 0.11 -0.04 2.15 2.07 3hy7A1 GLN 347 HB3 -0.33 0.11 0.13 -0.04 2.02 1.89 3hy7A1 GLN 347 HG2 -0.28 -0.06 -0.01 -0.04 2.40 2.00 3hy7A1 GLN 347 HG3 -0.50 0.02 -0.10 -0.04 2.39 1.77 3hy7A1 GLN 347 HE21 -0.09 -0.04 0.01 -0.04 6.97 6.81 3hy7A1 GLN 347 HE22 -0.15 -0.02 0.00 -0.04 7.69 7.48 3hy7A1 HIS 348 H -0.30 0.29 -0.40 -0.55 8.41 7.46 3hy7A1 HIS 348 HA -0.29 0.10 0.66 -0.75 4.63 4.34 3hy7A1 HIS 348 HB2 -0.81 0.06 0.02 -0.04 3.26 2.49 3hy7A1 HIS 348 HB3 -0.40 -0.09 0.04 -0.04 3.20 2.72 3hy7A1 HIS 348 HD2 -0.23 -0.02 -0.02 -0.04 6.97 6.65 3hy7A1 HIS 348 HE1 -0.51 -0.02 -0.04 -0.04 7.75 7.14 3hy7A1 ASN 349 H -0.26 0.26 -0.40 -0.55 8.53 7.59 3hy7A1 ASN 349 HA -0.49 0.03 0.55 -0.75 4.76 4.09 3hy7A1 ASN 349 HB2 -0.43 0.20 0.14 -0.04 2.88 2.75 3hy7A1 ASN 349 HB3 -0.44 -0.03 -0.04 -0.04 2.79 2.24 3hy7A1 ASN 349 HD21 -0.92 0.34 0.10 -0.04 7.03 6.51 3hy7A1 ASN 349 HD22 -0.41 -0.04 -0.03 -0.04 7.74 7.23 3hy7A1 GLN 350 H -0.37 0.19 0.07 -0.55 8.47 7.81 3hy7A1 GLN 350 HA -0.24 0.12 0.79 -0.75 4.36 4.28 3hy7A1 GLN 350 HB2 -0.40 -0.05 -0.08 -0.04 2.15 1.58 3hy7A1 GLN 350 HB3 -0.61 0.01 -0.00 -0.04 2.02 1.38 3hy7A1 GLN 350 HG2 -0.31 0.11 -0.15 -0.04 2.40 2.02 3hy7A1 GLN 350 HG3 -0.83 -0.13 -0.10 -0.04 2.39 1.28 3hy7A1 GLN 350 HE21 -0.10 -0.04 -0.03 -0.04 6.97 6.76 3hy7A1 GLN 350 HE22 -0.14 0.04 -0.07 -0.04 7.69 7.48 3hy7A1 LEU 351 H -0.13 0.14 0.02 -0.55 8.37 7.85 3hy7A1 LEU 351 HA 0.03 0.10 0.50 -0.75 4.35 4.24 3hy7A1 LEU 351 HB2 -0.06 -0.02 0.07 -0.04 1.64 1.58 3hy7A1 LEU 351 HB3 -0.04 -0.06 0.08 -0.04 1.64 1.57 3hy7A1 LEU 351 HG -0.19 0.10 -0.03 -0.04 1.64 1.48 3hy7A1 LEU 351 HD13 -0.06 -0.01 -0.00 -0.04 0.93 0.82 3hy7A1 LEU 351 HD23 -0.19 0.01 -0.10 -0.04 0.89 0.58 3hy7A1 GLY 352 H -0.13 0.10 0.08 -0.55 8.43 7.93 3hy7A1 GLY 352 HA2 -0.13 -0.04 0.44 -0.51 4.01 3.76 3hy7A1 GLY 352 HA3 -0.07 0.16 0.80 -0.51 4.01 4.39 3hy7A1 ASP 353 H -0.25 0.13 0.15 -0.55 8.40 7.88 3hy7A1 ASP 353 HA -0.79 0.18 0.24 -0.75 4.63 3.51 3hy7A1 ASP 353 HB2 -0.24 -0.07 0.15 -0.04 2.71 2.52 3hy7A1 ASP 353 HB3 -0.12 -0.00 0.02 -0.04 2.70 2.56 3hy7A1 ASP 354 H -0.08 -0.07 -0.49 -0.55 8.40 7.20 3hy7A1 ASP 354 HA -0.02 0.16 0.50 -0.75 4.63 4.52 3hy7A1 ASP 354 HB2 -0.03 0.01 0.02 -0.04 2.71 2.67 3hy7A1 ASP 354 HB3 -0.03 -0.02 0.02 -0.04 2.70 2.63 3hy7A1 HIS 355 H 0.07 0.33 -0.22 -0.55 8.41 8.06 3hy7A1 HIS 355 HA -0.00 -0.02 0.44 -0.75 4.63 4.30 3hy7A1 HIS 355 HB2 -0.02 0.11 0.05 -0.04 3.26 3.36 3hy7A1 HIS 355 HB3 0.04 0.04 -0.01 -0.04 3.20 3.22 3hy7A1 HIS 355 HD2 -0.02 0.04 0.00 -0.04 6.97 6.95 3hy7A1 HIS 355 HE1 0.01 0.03 -0.01 -0.04 7.75 7.74 3hy7A1 GLU 356 H -0.12 0.10 0.19 -0.55 8.60 8.23 3hy7A1 GLU 356 HA 0.08 0.05 0.36 -0.75 4.29 4.03 3hy7A1 GLU 356 HB2 0.06 -0.08 0.10 -0.04 2.09 2.13 3hy7A1 GLU 356 HB3 0.08 0.04 -0.07 -0.04 1.99 1.99 3hy7A1 GLU 356 HG2 0.01 0.04 -0.02 -0.04 2.34 2.34 3hy7A1 GLU 356 HG3 -0.05 -0.00 0.10 -0.04 2.34 2.35 3hy7A1 GLU 357 H 0.67 -0.02 -0.35 -0.55 8.60 8.36 3hy7A1 GLU 357 HA 0.15 0.26 0.73 -0.75 4.29 4.68 3hy7A1 GLU 357 HB2 0.08 -0.06 0.01 -0.04 2.09 2.08 3hy7A1 GLU 357 HB3 0.05 0.02 0.10 -0.04 1.99 2.12 3hy7A1 GLU 357 HG2 0.11 0.12 -0.04 -0.04 2.34 2.49 3hy7A1 GLU 357 HG3 0.14 -0.07 -0.10 -0.04 2.34 2.27 3hy7A1 HIS 358 H 0.21 0.48 -0.34 -0.55 8.41 8.21 3hy7A1 HIS 358 HA -0.25 -0.05 0.70 -0.75 4.63 4.27 3hy7A1 HIS 358 HB2 -0.06 0.12 0.04 -0.04 3.26 3.32 3hy7A1 HIS 358 HB3 0.01 0.13 0.03 -0.04 3.20 3.33 3hy7A1 HIS 358 HD2 0.00 -0.03 -0.39 -0.04 6.97 6.51 3hy7A1 HIS 358 HE1 -0.09 -0.12 -0.03 -0.04 7.75 7.47 3hy7A1 TYR 359 H -1.12 0.14 0.15 -0.55 8.29 6.90 3hy7A1 TYR 359 HA -0.09 0.17 0.84 -0.75 4.56 4.73 3hy7A1 TYR 359 HB2 -0.05 0.06 0.01 -0.04 3.06 3.03 3hy7A1 TYR 359 HB3 -0.04 -0.04 -0.25 -0.04 2.98 2.61 3hy7A1 TYR 359 HD2 -0.06 0.07 -0.25 -0.04 7.15 6.87 3hy7A1 TYR 359 HE2 -0.07 0.04 -0.11 -0.04 6.85 6.67 3hy7A1 ASP 360 H 0.09 0.41 0.32 -0.55 8.40 8.67 3hy7A1 ASP 360 HA 0.07 0.08 0.72 -0.75 4.63 4.75 3hy7A1 ASP 360 HB2 0.08 -0.09 0.14 -0.04 2.71 2.81 3hy7A1 ASP 360 HB3 0.09 0.03 0.05 -0.04 2.70 2.83 3hy7A1 ALA 361 H 0.14 0.40 0.17 -0.55 8.40 8.56 3hy7A1 ALA 361 HA 0.11 0.35 0.73 -0.75 4.34 4.78 3hy7A1 ALA 361 HB3 0.06 -0.02 -0.20 -0.04 1.41 1.21 3hy7A1 ALA 362 H 0.13 0.51 0.24 -0.55 8.40 8.74 3hy7A1 ALA 362 HA 0.02 0.18 1.05 -0.75 4.34 4.83 3hy7A1 ALA 362 HB3 0.08 0.01 -0.02 -0.04 1.41 1.44 3hy7A1 ILE 363 H 0.12 0.74 0.36 -0.55 8.25 8.92 3hy7A1 ILE 363 HA 0.01 0.17 1.06 -0.75 4.18 4.67 3hy7A1 ILE 363 HB -0.02 -0.05 0.11 -0.04 1.89 1.89 3hy7A1 ILE 363 HG12 0.05 0.06 -0.25 -0.04 1.49 1.31 3hy7A1 ILE 363 HG13 0.03 -0.02 -0.15 -0.04 1.21 1.03 3hy7A1 ILE 363 HG23 -0.51 -0.02 -0.19 -0.04 0.93 0.16 3hy7A1 ILE 363 HD13 0.04 0.05 -0.31 -0.04 0.88 0.61 3hy7A1 LEU 364 H -0.46 0.72 0.35 -0.55 8.37 8.43 3hy7A1 LEU 364 HA -0.46 0.23 1.07 -0.75 4.35 4.44 3hy7A1 LEU 364 HB2 -2.52 0.04 0.02 -0.04 1.64 -0.86 3hy7A1 LEU 364 HB3 -0.91 -0.00 0.21 -0.04 1.64 0.89 3hy7A1 LEU 364 HG -0.37 -0.07 -0.39 -0.04 1.64 0.78 3hy7A1 LEU 364 HD13 -0.38 0.01 -0.15 -0.04 0.93 0.37 3hy7A1 LEU 364 HD23 -0.37 -0.02 -0.13 -0.04 0.89 0.34 3hy7A1 PHE 365 H 0.04 0.84 0.45 -0.55 8.34 9.12 3hy7A1 PHE 365 HA -0.08 0.28 1.09 -0.75 4.62 5.16 3hy7A1 PHE 365 HB2 -0.05 -0.03 0.23 -0.04 3.15 3.26 3hy7A1 PHE 365 HB3 -0.00 -0.06 0.04 -0.04 3.06 2.99 3hy7A1 PHE 365 HD2 -0.05 0.10 -0.04 -0.04 7.28 7.26 3hy7A1 PHE 365 HE2 -0.06 -0.01 -0.09 -0.04 7.38 7.19 3hy7A1 PHE 365 HZ -0.06 0.03 -0.11 -0.04 7.32 7.14 3hy7A1 THR 366 H 0.04 0.74 0.43 -0.55 8.28 8.95 3hy7A1 THR 366 HA 0.03 -0.04 0.78 -0.75 4.39 4.41 3hy7A1 THR 366 HB -0.07 0.06 -0.09 -0.04 4.32 4.18 3hy7A1 THR 366 HG23 -0.04 0.10 -0.12 -0.04 1.22 1.12 3hy7A1 ARG 367 H 0.03 0.01 0.11 -0.55 8.46 8.05 3hy7A1 ARG 367 HA 0.05 0.30 0.85 -0.75 4.34 4.78 3hy7A1 ARG 367 HB2 -0.00 -0.09 -0.01 -0.04 1.90 1.75 3hy7A1 ARG 367 HB3 -0.01 0.10 0.08 -0.04 1.80 1.93 3hy7A1 ARG 367 HG2 0.07 -0.20 -0.22 -0.04 1.67 1.27 3hy7A1 ARG 367 HG3 -0.02 0.15 -0.12 -0.04 1.67 1.64 3hy7A1 ARG 367 HD2 0.09 0.14 0.05 -0.04 3.22 3.45 3hy7A1 ARG 367 HD3 0.08 -0.04 -0.04 -0.04 3.22 3.18 3hy7A1 GLU 368 H -0.00 -0.13 -0.10 -0.55 8.60 7.82 3hy7A1 GLU 368 HA -0.01 0.07 0.38 -0.75 4.29 3.98 3hy7A1 GLU 368 HB2 -0.02 -0.07 -0.10 -0.04 2.09 1.86 3hy7A1 GLU 368 HB3 -0.02 0.10 -0.32 -0.04 1.99 1.72 3hy7A1 GLU 368 HG2 -0.02 -0.14 0.01 -0.04 2.34 2.15 3hy7A1 GLU 368 HG3 -0.02 0.07 -0.10 -0.04 2.34 2.25 3hy7A1 ASP 369 H -0.01 0.09 0.09 -0.55 8.40 8.02 3hy7A1 ASP 369 HA -0.00 0.14 0.52 -0.75 4.63 4.53 3hy7A1 ASP 369 HB2 -0.01 0.01 0.12 -0.04 2.71 2.79 3hy7A1 ASP 369 HB3 -0.01 -0.08 0.20 -0.04 2.70 2.76 3hy7A1 LEU 370 H -0.01 0.22 0.17 -0.55 8.37 8.20 3hy7A1 LEU 370 HA -0.02 0.05 0.43 -0.75 4.35 4.06 3hy7A1 LEU 370 HB2 -0.01 0.08 -0.12 -0.04 1.64 1.54 3hy7A1 LEU 370 HB3 -0.02 -0.10 -0.20 -0.04 1.64 1.28 3hy7A1 LEU 370 HG -0.02 0.14 -0.16 -0.04 1.64 1.56 3hy7A1 LEU 370 HD13 -0.03 -0.03 -0.39 -0.04 0.93 0.44 3hy7A1 LEU 370 HD23 -0.03 -0.03 -0.26 -0.04 0.89 0.53 3hy7A1 CYS 371 H -0.02 0.49 0.38 -0.55 8.50 8.80 3hy7A1 CYS 371 HA -0.04 0.11 1.09 -0.75 4.58 4.99 3hy7A1 CYS 371 HB2 -0.02 -0.03 0.12 -0.04 2.97 3.00 3hy7A1 CYS 371 HB3 -0.03 -0.02 -0.11 -0.04 2.97 2.77 3hy7A1 GLY 372 H -0.09 0.55 0.30 -0.55 8.43 8.64 3hy7A1 GLY 372 HA2 -0.13 0.08 0.66 -0.51 4.01 4.10 3hy7A1 GLY 372 HA3 -0.32 -0.03 0.44 -0.51 4.01 3.59 3hy7A1 HIS 373 H -1.11 0.14 0.18 -0.55 8.41 7.08 3hy7A1 HIS 373 HA 0.03 0.13 0.40 -0.75 4.63 4.43 3hy7A1 HIS 373 HB2 0.06 0.08 -0.00 -0.04 3.26 3.36 3hy7A1 HIS 373 HB3 0.03 0.04 0.12 -0.04 3.20 3.36 3hy7A1 HIS 373 HD2 0.07 0.02 0.06 -0.04 6.97 7.07 3hy7A1 HIS 373 HE1 0.04 0.06 0.08 -0.04 7.75 7.89 3hy7A1 HIS 374 H 0.03 -0.12 -0.09 -0.55 8.41 7.69 3hy7A1 HIS 374 HA 0.05 0.26 0.85 -0.75 4.63 5.04 3hy7A1 HIS 374 HB2 0.14 0.00 0.00 -0.04 3.26 3.36 3hy7A1 HIS 374 HB3 0.05 -0.07 0.10 -0.04 3.20 3.25 3hy7A1 HIS 374 HD2 0.04 0.03 0.03 -0.04 6.97 7.03 3hy7A1 HIS 374 HE1 0.01 0.01 -0.02 -0.04 7.75 7.70 3hy7A1 SER 375 H -0.01 -0.02 0.05 -0.55 8.46 7.93 3hy7A1 SER 375 HA -0.07 0.27 0.76 -0.75 4.49 4.71 3hy7A1 SER 375 HB2 0.20 0.14 -0.20 -0.04 3.95 4.05 3hy7A1 SER 375 HB3 0.08 -0.04 0.04 -0.04 3.93 3.98 3hy7A1 CYS 376 H -0.03 0.25 0.17 -0.55 8.50 8.34 3hy7A1 CYS 376 HA -0.03 0.13 1.00 -0.75 4.58 4.93 3hy7A1 CYS 376 HB2 -0.02 -0.01 0.10 -0.04 2.97 2.99 3hy7A1 CYS 376 HB3 -0.02 0.10 0.10 -0.04 2.97 3.12 3hy7A1 ASP 377 H -0.00 -0.05 -0.23 -0.55 8.40 7.57 3hy7A1 ASP 377 HA -0.01 0.15 0.51 -0.75 4.63 4.54 3hy7A1 ASP 377 HB2 0.01 -0.06 -0.01 -0.04 2.71 2.60 3hy7A1 ASP 377 HB3 -0.01 0.03 0.08 -0.04 2.70 2.76 3hy7A1 THR 378 H -0.03 -0.02 -0.44 -0.55 8.28 7.24 3hy7A1 THR 378 HA -0.03 -0.01 0.45 -0.75 4.39 4.04 3hy7A1 THR 378 HB -0.04 0.16 -0.12 -0.04 4.32 4.27 3hy7A1 THR 378 HG23 -0.03 -0.01 -0.17 -0.04 1.22 0.96 3hy7A1 LEU 379 H -0.02 0.07 0.25 -0.55 8.37 8.11 3hy7A1 LEU 379 HA 0.00 0.24 0.97 -0.75 4.35 4.81 3hy7A1 LEU 379 HB2 -0.03 -0.00 0.10 -0.04 1.64 1.67 3hy7A1 LEU 379 HB3 0.02 -0.04 0.15 -0.04 1.64 1.73 3hy7A1 LEU 379 HG -0.02 0.22 -0.13 -0.04 1.64 1.67 3hy7A1 LEU 379 HD13 -0.02 -0.03 0.02 -0.04 0.93 0.85 3hy7A1 LEU 379 HD23 0.04 0.01 0.04 -0.04 0.89 0.94 3hy7A1 GLY 380 H 0.00 0.14 0.19 -0.55 8.43 8.22 3hy7A1 GLY 380 HA2 0.00 0.20 0.62 -0.51 4.01 4.32 3hy7A1 GLY 380 HA3 0.04 0.06 0.37 -0.51 4.01 3.96 3hy7A1 MET 381 H 0.04 0.61 0.34 -0.55 8.47 8.91 3hy7A1 MET 381 HA 0.11 0.11 0.64 -0.75 4.52 4.63 3hy7A1 MET 381 HB2 0.03 -0.03 -0.28 -0.04 2.15 1.83 3hy7A1 MET 381 HB3 0.04 -0.02 -0.06 -0.04 2.03 1.95 3hy7A1 MET 381 HG2 0.05 0.07 -0.11 -0.04 2.63 2.59 3hy7A1 MET 381 HG3 0.07 0.03 0.08 -0.04 2.56 2.70 3hy7A1 MET 381 HE3 0.02 -0.01 -0.03 -0.04 2.10 2.04 3hy7A1 ALA 382 H 0.07 0.32 0.22 -0.55 8.40 8.46 3hy7A1 ALA 382 HA 0.06 0.12 0.55 -0.75 4.34 4.32 3hy7A1 ALA 382 HB3 0.12 0.02 0.10 -0.04 1.41 1.62 3hy7A1 ASP 383 H 0.03 0.23 0.17 -0.55 8.40 8.28 3hy7A1 ASP 383 HA -0.05 0.01 0.57 -0.75 4.63 4.41 3hy7A1 ASP 383 HB2 0.01 0.10 0.04 -0.04 2.71 2.82 3hy7A1 ASP 383 HB3 -0.01 0.04 0.01 -0.04 2.70 2.70 3hy7A1 VAL 384 H -0.07 0.11 0.12 -0.55 8.24 7.86 3hy7A1 VAL 384 HA -0.04 0.32 0.77 -0.75 4.13 4.43 3hy7A1 VAL 384 HB -0.10 -0.07 0.13 -0.04 2.12 2.03 3hy7A1 VAL 384 HG13 -0.09 0.01 -0.26 -0.04 0.97 0.59 3hy7A1 VAL 384 HG23 -0.22 -0.02 -0.03 -0.04 0.95 0.64 3hy7A1 GLY 385 H -0.07 0.50 0.28 -0.55 8.43 8.60 3hy7A1 GLY 385 HA2 -0.09 0.09 0.25 -0.51 4.01 3.75 3hy7A1 GLY 385 HA3 0.11 0.08 0.32 -0.51 4.01 4.00 3hy7A1 THR 386 H 0.03 0.07 -0.16 -0.55 8.28 7.68 3hy7A1 THR 386 HA 0.06 0.17 0.59 -0.75 4.39 4.46 3hy7A1 THR 386 HB 0.03 -0.04 -0.02 -0.04 4.32 4.25 3hy7A1 THR 386 HG23 0.01 0.01 -0.13 -0.04 1.22 1.06 3hy7A1 ILE 387 H 0.17 0.45 -0.25 -0.55 8.25 8.06 3hy7A1 ILE 387 HA 0.08 0.01 0.21 -0.75 4.18 3.73 3hy7A1 ILE 387 HB 0.06 0.00 -0.25 -0.04 1.89 1.66 3hy7A1 ILE 387 HG12 0.08 0.01 -0.13 -0.04 1.49 1.41 3hy7A1 ILE 387 HG13 0.07 0.04 -0.02 -0.04 1.21 1.26 3hy7A1 ILE 387 HG23 0.28 0.01 -0.12 -0.04 0.93 1.06 3hy7A1 ILE 387 HD13 0.00 -0.02 -0.15 -0.04 0.88 0.67 3hy7A1 CYS 388 H 0.14 0.15 -0.35 -0.55 8.50 7.89 3hy7A1 CYS 388 HA 0.09 0.27 0.92 -0.75 4.58 5.10 3hy7A1 CYS 388 HB2 0.07 0.16 0.08 -0.04 2.97 3.23 3hy7A1 CYS 388 HB3 0.05 -0.06 0.18 -0.04 2.97 3.10 3hy7A1 SER 389 H 0.07 0.62 -0.35 -0.55 8.46 8.26 3hy7A1 SER 389 HA 0.03 0.15 0.81 -0.75 4.49 4.73 3hy7A1 SER 389 HB2 0.03 0.07 0.18 -0.04 3.95 4.19 3hy7A1 SER 389 HB3 0.00 -0.10 0.09 -0.04 3.93 3.88 3hy7A1 PRO 390 HA 0.08 0.21 0.23 -0.51 4.44 4.45 3hy7A1 PRO 390 HB2 0.21 -0.03 0.04 -0.04 2.28 2.46 3hy7A1 PRO 390 HB3 0.09 0.11 0.06 -0.04 2.02 2.24 3hy7A1 PRO 390 HG2 0.10 -0.03 0.06 -0.04 2.03 2.12 3hy7A1 PRO 390 HG3 0.11 0.11 0.02 -0.04 2.03 2.23 3hy7A1 PRO 390 HD2 0.05 0.01 0.15 -0.04 3.68 3.85 3hy7A1 PRO 390 HD3 0.06 0.41 0.02 -0.04 3.65 4.10 3hy7A1 GLU 391 H -0.04 0.06 -0.26 -0.55 8.60 7.81 3hy7A1 GLU 391 HA -0.08 0.14 0.38 -0.75 4.29 3.97 3hy7A1 GLU 391 HB2 -0.24 -0.00 0.04 -0.04 2.09 1.85 3hy7A1 GLU 391 HB3 -0.66 -0.00 0.06 -0.04 1.99 1.34 3hy7A1 GLU 391 HG2 -0.08 0.03 -0.12 -0.04 2.34 2.12 3hy7A1 GLU 391 HG3 -0.13 -0.02 -0.06 -0.04 2.34 2.09 3hy7A1 ARG 392 H 0.01 0.52 -0.28 -0.55 8.46 8.16 3hy7A1 ARG 392 HA 0.02 0.17 0.90 -0.75 4.34 4.68 3hy7A1 ARG 392 HB2 0.00 0.02 0.04 -0.04 1.90 1.93 3hy7A1 ARG 392 HB3 0.01 -0.10 0.18 -0.04 1.80 1.85 3hy7A1 ARG 392 HG2 -0.03 -0.05 -0.36 -0.04 1.67 1.19 3hy7A1 ARG 392 HG3 -0.01 -0.05 -0.06 -0.04 1.67 1.51 3hy7A1 ARG 392 HD2 0.01 0.24 0.03 -0.04 3.22 3.46 3hy7A1 ARG 392 HD3 -0.00 -0.04 -0.06 -0.04 3.22 3.07 3hy7A1 SER 393 H 0.05 0.34 -0.16 -0.55 8.46 8.15 3hy7A1 SER 393 HA 0.06 -0.02 0.65 -0.75 4.49 4.42 3hy7A1 SER 393 HB2 0.07 0.11 -0.02 -0.04 3.95 4.07 3hy7A1 SER 393 HB3 0.08 0.02 0.20 -0.04 3.93 4.19 3hy7A1 CYS 394 H 0.08 0.39 0.12 -0.55 8.50 8.55 3hy7A1 CYS 394 HA 0.17 0.29 0.89 -0.75 4.58 5.17 3hy7A1 CYS 394 HB2 0.24 -0.06 -0.13 -0.04 2.97 2.97 3hy7A1 CYS 394 HB3 0.02 0.10 -0.21 -0.04 2.97 2.83 3hy7A1 ALA 395 H 0.23 0.54 0.43 -0.55 8.40 9.04 3hy7A1 ALA 395 HA 0.09 0.21 0.88 -0.75 4.34 4.77 3hy7A1 ALA 395 HB3 0.04 0.00 -0.02 -0.04 1.41 1.39 3hy7A1 VAL 396 H 0.01 0.59 0.38 -0.55 8.24 8.66 3hy7A1 VAL 396 HA -0.25 0.23 0.99 -0.75 4.13 4.35 3hy7A1 VAL 396 HB -0.11 -0.01 -0.03 -0.04 2.12 1.92 3hy7A1 VAL 396 HG13 -0.08 -0.01 -0.20 -0.04 0.97 0.64 3hy7A1 VAL 396 HG23 -0.01 0.00 -0.00 -0.04 0.95 0.90 3hy7A1 ILE 397 H -0.25 0.67 0.33 -0.55 8.25 8.44 3hy7A1 ILE 397 HA -0.07 0.19 1.05 -0.75 4.18 4.60 3hy7A1 ILE 397 HB -0.52 -0.02 0.10 -0.04 1.89 1.40 3hy7A1 ILE 397 HG12 -0.38 -0.03 -0.42 -0.04 1.49 0.62 3hy7A1 ILE 397 HG13 -0.59 -0.02 -0.18 -0.04 1.21 0.37 3hy7A1 ILE 397 HG23 0.06 -0.02 -0.22 -0.04 0.93 0.71 3hy7A1 ILE 397 HD13 -0.05 0.01 -0.26 -0.04 0.88 0.54 3hy7A1 GLU 398 H -0.00 0.88 0.30 -0.55 8.60 9.23 3hy7A1 GLU 398 HA 0.03 0.20 0.88 -0.75 4.29 4.64 3hy7A1 GLU 398 HB2 0.00 -0.08 0.10 -0.04 2.09 2.07 3hy7A1 GLU 398 HB3 0.02 -0.02 0.31 -0.04 1.99 2.26 3hy7A1 GLU 398 HG2 0.04 -0.11 -0.36 -0.04 2.34 1.88 3hy7A1 GLU 398 HG3 0.02 0.25 -0.12 -0.04 2.34 2.45 3hy7A1 ASP 399 H 0.12 0.71 0.27 -0.55 8.40 8.95 3hy7A1 ASP 399 HA 0.18 -0.05 0.72 -0.75 4.63 4.72 3hy7A1 ASP 399 HB2 0.30 0.01 0.05 -0.04 2.71 3.03 3hy7A1 ASP 399 HB3 0.20 0.04 0.07 -0.04 2.70 2.97 3hy7A1 ASP 400 H 0.11 0.14 0.22 -0.55 8.40 8.32 3hy7A1 ASP 400 HA 0.05 0.32 0.86 -0.75 4.63 5.10 3hy7A1 ASP 400 HB2 0.06 0.07 0.17 -0.04 2.71 2.97 3hy7A1 ASP 400 HB3 0.07 0.13 0.06 -0.04 2.70 2.92 3hy7A1 GLY 401 H 0.12 -0.02 -0.09 -0.55 8.43 7.90 3hy7A1 GLY 401 HA2 0.17 0.01 0.27 -0.51 4.01 3.94 3hy7A1 GLY 401 HA3 0.03 0.22 0.35 -0.51 4.01 4.09 3hy7A1 LEU 402 H -0.07 -0.14 -0.44 -0.55 8.37 7.18 3hy7A1 LEU 402 HA -0.17 0.29 0.93 -0.75 4.35 4.65 3hy7A1 LEU 402 HB2 -0.59 0.01 0.01 -0.04 1.64 1.04 3hy7A1 LEU 402 HB3 -0.19 0.11 0.01 -0.04 1.64 1.52 3hy7A1 LEU 402 HG -0.26 -0.11 -0.05 -0.04 1.64 1.18 3hy7A1 LEU 402 HD13 -0.07 0.01 -0.03 -0.04 0.93 0.79 3hy7A1 LEU 402 HD23 -0.05 0.09 -0.06 -0.04 0.89 0.83 3hy7A1 HIS 403 H -0.07 -0.08 0.12 -0.55 8.41 7.83 3hy7A1 HIS 403 HA -0.11 0.32 0.98 -0.75 4.63 5.07 3hy7A1 HIS 403 HB2 0.03 0.02 0.05 -0.04 3.26 3.32 3hy7A1 HIS 403 HB3 0.08 0.04 0.14 -0.04 3.20 3.41 3hy7A1 HIS 403 HD2 0.08 0.06 -0.08 -0.04 6.97 6.98 3hy7A1 HIS 403 HE1 0.01 0.06 -0.06 -0.04 7.75 7.71 3hy7A1 ALA 404 H 0.02 0.10 -0.04 -0.55 8.40 7.94 3hy7A1 ALA 404 HA 0.11 0.13 0.12 -0.75 4.34 3.94 3hy7A1 ALA 404 HB3 0.13 0.01 0.08 -0.04 1.41 1.59 3hy7A1 ALA 405 H -0.11 0.11 -0.19 -0.55 8.40 7.66 3hy7A1 ALA 405 HA 0.02 0.11 0.43 -0.75 4.34 4.14 3hy7A1 ALA 405 HB3 -0.16 0.03 0.04 -0.04 1.41 1.27 3hy7A1 PHE 406 H -0.12 0.13 -0.17 -0.55 8.34 7.63 3hy7A1 PHE 406 HA -0.04 0.09 0.52 -0.75 4.62 4.44 3hy7A1 PHE 406 HB2 0.02 0.09 0.13 -0.04 3.15 3.35 3hy7A1 PHE 406 HB3 -0.05 0.05 0.00 -0.04 3.06 3.03 3hy7A1 PHE 406 HD2 -0.03 0.01 -0.03 -0.04 7.28 7.19 3hy7A1 PHE 406 HE2 -0.05 0.02 -0.01 -0.04 7.38 7.29 3hy7A1 PHE 406 HZ -0.06 0.02 -0.00 -0.04 7.32 7.24 3hy7A1 THR 407 H 0.16 0.39 -0.16 -0.55 8.28 8.11 3hy7A1 THR 407 HA 0.09 0.06 0.40 -0.75 4.39 4.19 3hy7A1 THR 407 HB 0.09 0.07 0.07 -0.04 4.32 4.51 3hy7A1 THR 407 HG23 0.04 0.03 -0.12 -0.04 1.22 1.12 3hy7A1 VAL 408 H 0.13 0.59 -0.10 -0.55 8.24 8.30 3hy7A1 VAL 408 HA 0.07 -0.01 0.37 -0.75 4.13 3.81 3hy7A1 VAL 408 HB 0.14 0.11 0.13 -0.04 2.12 2.46 3hy7A1 VAL 408 HG13 0.14 0.00 -0.21 -0.04 0.97 0.86 3hy7A1 VAL 408 HG23 0.18 0.02 -0.05 -0.04 0.95 1.05 3hy7A1 ALA 409 H 0.20 0.50 -0.16 -0.55 8.40 8.39 3hy7A1 ALA 409 HA 0.50 0.04 0.34 -0.75 4.34 4.46 3hy7A1 ALA 409 HB3 0.13 0.02 0.08 -0.04 1.41 1.60 3hy7A1 HIS 410 H 0.24 0.55 -0.26 -0.55 8.41 8.39 3hy7A1 HIS 410 HA 0.08 -0.01 0.32 -0.75 4.63 4.27 3hy7A1 HIS 410 HB2 0.01 0.11 0.10 -0.04 3.26 3.45 3hy7A1 HIS 410 HB3 0.06 0.04 0.15 -0.04 3.20 3.42 3hy7A1 HIS 410 HD2 0.15 -0.05 -0.29 -0.04 6.97 6.73 3hy7A1 HIS 410 HE1 0.04 0.06 -0.32 -0.04 7.75 7.49 3hy7A1 GLU 411 H 0.21 0.61 -0.12 -0.55 8.60 8.76 3hy7A1 GLU 411 HA 0.21 0.01 0.33 -0.75 4.29 4.08 3hy7A1 GLU 411 HB2 0.10 0.04 0.02 -0.04 2.09 2.21 3hy7A1 GLU 411 HB3 0.13 -0.03 -0.09 -0.04 1.99 1.96 3hy7A1 GLU 411 HG2 0.16 0.31 -0.00 -0.04 2.34 2.76 3hy7A1 GLU 411 HG3 0.08 -0.00 -0.07 -0.04 2.34 2.31 3hy7A1 ILE 412 H 0.14 0.59 -0.08 -0.55 8.25 8.35 3hy7A1 ILE 412 HA 0.05 -0.00 0.43 -0.75 4.18 3.90 3hy7A1 ILE 412 HB 0.24 0.12 0.01 -0.04 1.89 2.21 3hy7A1 ILE 412 HG12 0.04 -0.03 -0.11 -0.04 1.49 1.35 3hy7A1 ILE 412 HG13 0.09 0.03 -0.02 -0.04 1.21 1.28 3hy7A1 ILE 412 HG23 -0.17 -0.00 -0.18 -0.04 0.93 0.53 3hy7A1 ILE 412 HD13 0.07 -0.02 -0.18 -0.04 0.88 0.71 3hy7A1 GLY 413 H 0.16 0.43 -0.51 -0.55 8.43 7.97 3hy7A1 GLY 413 HA2 0.03 0.02 0.34 -0.51 4.01 3.89 3hy7A1 GLY 413 HA3 -0.02 0.06 0.23 -0.51 4.01 3.77 3hy7A1 HIS 414 H -0.18 0.40 -0.11 -0.55 8.41 7.98 3hy7A1 HIS 414 HA -0.13 0.16 0.51 -0.75 4.63 4.42 3hy7A1 HIS 414 HB2 -0.02 0.11 0.14 -0.04 3.26 3.45 3hy7A1 HIS 414 HB3 -0.05 0.10 -0.19 -0.04 3.20 3.01 3hy7A1 HIS 414 HD2 0.12 -0.10 -0.05 -0.04 6.97 6.89 3hy7A1 HIS 414 HE1 -0.50 -0.19 -0.13 -0.04 7.75 6.88 3hy7A1 LEU 415 H 0.06 0.51 -0.11 -0.55 8.37 8.27 3hy7A1 LEU 415 HA 0.00 -0.11 0.42 -0.75 4.35 3.91 3hy7A1 LEU 415 HB2 0.01 0.19 0.09 -0.04 1.64 1.89 3hy7A1 LEU 415 HB3 0.03 -0.06 -0.02 -0.04 1.64 1.54 3hy7A1 LEU 415 HG 0.07 0.17 -0.01 -0.04 1.64 1.82 3hy7A1 LEU 415 HD13 0.06 -0.02 -0.21 -0.04 0.93 0.72 3hy7A1 LEU 415 HD23 0.06 0.06 0.04 -0.04 0.89 1.01 3hy7A1 LEU 416 H -0.13 0.50 -0.41 -0.55 8.37 7.77 3hy7A1 LEU 416 HA -0.50 0.06 0.55 -0.75 4.35 3.71 3hy7A1 LEU 416 HB2 -0.18 0.09 0.11 -0.04 1.64 1.61 3hy7A1 LEU 416 HB3 -0.27 -0.04 0.13 -0.04 1.64 1.41 3hy7A1 LEU 416 HG -0.11 0.03 -0.09 -0.04 1.64 1.43 3hy7A1 LEU 416 HD13 -0.18 -0.02 -0.16 -0.04 0.93 0.53 3hy7A1 LEU 416 HD23 -0.01 -0.01 -0.09 -0.04 0.89 0.75 3hy7A1 GLY 417 H -0.34 0.46 -0.45 -0.55 8.43 7.56 3hy7A1 GLY 417 HA2 -0.25 -0.07 0.20 -0.51 4.01 3.38 3hy7A1 GLY 417 HA3 -0.70 0.12 0.43 -0.51 4.01 3.35 3hy7A1 LEU 418 H -0.17 0.47 -0.02 -0.55 8.37 8.10 3hy7A1 LEU 418 HA -0.06 0.04 0.37 -0.75 4.35 3.94 3hy7A1 LEU 418 HB2 -0.14 -0.07 -0.35 -0.04 1.64 1.04 3hy7A1 LEU 418 HB3 -0.05 -0.01 -0.10 -0.04 1.64 1.44 3hy7A1 LEU 418 HG -0.17 0.19 -0.15 -0.04 1.64 1.47 3hy7A1 LEU 418 HD13 -0.15 -0.06 -0.06 -0.04 0.93 0.63 3hy7A1 LEU 418 HD23 -0.07 -0.01 -0.11 -0.04 0.89 0.66 3hy7A1 SER 419 H -0.00 0.11 0.12 -0.55 8.46 8.14 3hy7A1 SER 419 HA -0.05 0.13 0.70 -0.75 4.49 4.51 3hy7A1 SER 419 HB2 0.13 0.00 0.01 -0.04 3.95 4.05 3hy7A1 SER 419 HB3 0.06 -0.13 0.12 -0.04 3.93 3.94 3hy7A1 HIS 420 H -0.01 0.06 0.13 -0.55 8.41 8.03 3hy7A1 HIS 420 HA 0.10 0.44 0.63 -0.75 4.63 5.05 3hy7A1 HIS 420 HB2 0.11 -0.08 0.10 -0.04 3.26 3.35 3hy7A1 HIS 420 HB3 0.11 -0.22 0.08 -0.04 3.20 3.13 3hy7A1 HIS 420 HD2 0.19 0.17 -0.13 -0.04 6.97 7.16 3hy7A1 HIS 420 HE1 0.18 -0.02 0.05 -0.04 7.75 7.92 3hy7A1 ASP 421 H 0.16 0.47 -0.05 -0.55 8.40 8.44 3hy7A1 ASP 421 HA 0.11 0.08 0.42 -0.75 4.63 4.49 3hy7A1 ASP 421 HB2 0.05 -0.04 -0.04 -0.04 2.71 2.64 3hy7A1 ASP 421 HB3 0.03 0.09 0.09 -0.04 2.70 2.88 3hy7A1 ASP 422 H 0.11 0.02 -0.20 -0.55 8.40 7.78 3hy7A1 ASP 422 HA 0.06 0.23 0.71 -0.75 4.63 4.87 3hy7A1 ASP 422 HB2 0.03 0.07 0.14 -0.04 2.71 2.92 3hy7A1 ASP 422 HB3 0.02 0.03 0.01 -0.04 2.70 2.71 3hy7A1 SER 423 H 0.16 0.37 -0.57 -0.55 8.46 7.88 3hy7A1 SER 423 HA 0.12 0.15 0.62 -0.75 4.49 4.62 3hy7A1 SER 423 HB2 0.15 -0.06 0.15 -0.04 3.95 4.16 3hy7A1 SER 423 HB3 0.18 -0.02 0.13 -0.04 3.93 4.17 3hy7A1 LYS 424 H 0.09 0.19 0.16 -0.55 8.42 8.31 3hy7A1 LYS 424 HA 0.06 0.13 0.48 -0.75 4.32 4.23 3hy7A1 LYS 424 HB2 0.05 0.03 0.15 -0.04 1.87 2.06 3hy7A1 LYS 424 HB3 0.08 0.02 0.05 -0.04 1.79 1.89 3hy7A1 LYS 424 HG2 0.04 0.05 -0.00 -0.04 1.46 1.50 3hy7A1 LYS 424 HG3 0.03 -0.00 -0.00 -0.04 1.46 1.45 3hy7A1 LYS 424 HD2 0.03 -0.02 0.02 -0.04 1.69 1.68 3hy7A1 LYS 424 HD3 0.03 0.02 0.01 -0.04 1.68 1.69 3hy7A1 LYS 424 HE2 0.01 -0.00 -0.03 -0.04 2.99 2.93 3hy7A1 LYS 424 HE3 0.02 0.03 -0.03 -0.04 2.99 2.97 3hy7A1 PHE 425 H 0.23 0.04 -0.15 -0.55 8.34 7.91 3hy7A1 PHE 425 HA 0.03 0.13 0.41 -0.75 4.62 4.43 3hy7A1 PHE 425 HB2 0.02 0.03 0.08 -0.04 3.15 3.25 3hy7A1 PHE 425 HB3 0.05 -0.10 0.05 -0.04 3.06 3.02 3hy7A1 PHE 425 HD2 0.05 -0.04 -0.09 -0.04 7.28 7.15 3hy7A1 PHE 425 HE2 0.05 0.04 -0.05 -0.04 7.38 7.39 3hy7A1 PHE 425 HZ 0.05 0.07 -0.03 -0.04 7.32 7.36 3hy7A1 CYS 426 H 0.24 0.06 -0.24 -0.55 8.50 8.01 3hy7A1 CYS 426 HA 0.00 0.08 0.52 -0.75 4.58 4.43 3hy7A1 CYS 426 HB2 0.14 0.09 0.10 -0.04 2.97 3.26 3hy7A1 CYS 426 HB3 0.12 0.01 0.10 -0.04 2.97 3.16 3hy7A1 GLU 427 H 0.06 0.47 -0.18 -0.55 8.60 8.40 3hy7A1 GLU 427 HA 0.05 0.12 0.26 -0.75 4.29 3.97 3hy7A1 GLU 427 HB2 0.04 0.02 -0.06 -0.04 2.09 2.05 3hy7A1 GLU 427 HB3 0.03 0.03 0.04 -0.04 1.99 2.05 3hy7A1 GLU 427 HG2 0.02 0.04 -0.27 -0.04 2.34 2.08 3hy7A1 GLU 427 HG3 0.03 -0.06 -0.26 -0.04 2.34 2.01 3hy7A1 GLU 428 H -0.03 0.71 -0.12 -0.55 8.60 8.61 3hy7A1 GLU 428 HA -0.04 0.05 0.48 -0.75 4.29 4.02 3hy7A1 GLU 428 HB2 -0.07 0.05 0.09 -0.04 2.09 2.12 3hy7A1 GLU 428 HB3 -0.07 -0.01 0.01 -0.04 1.99 1.89 3hy7A1 GLU 428 HG2 -0.02 -0.01 0.01 -0.04 2.34 2.29 3hy7A1 GLU 428 HG3 -0.00 -0.01 0.02 -0.04 2.34 2.31 3hy7A1 THR 429 H -0.22 0.34 -0.29 -0.55 8.28 7.56 3hy7A1 THR 429 HA -0.34 0.07 0.56 -0.75 4.39 3.92 3hy7A1 THR 429 HB -0.32 -0.00 0.18 -0.04 4.32 4.14 3hy7A1 THR 429 HG23 -0.81 -0.02 -0.04 -0.04 1.22 0.31 3hy7A1 PHE 430 H 0.03 0.36 -0.04 -0.55 8.34 8.14 3hy7A1 PHE 430 HA -0.04 0.21 0.85 -0.75 4.62 4.89 3hy7A1 PHE 430 HB2 -0.04 0.15 0.11 -0.04 3.15 3.33 3hy7A1 PHE 430 HB3 -0.02 -0.06 0.06 -0.04 3.06 3.00 3hy7A1 PHE 430 HD2 -0.04 0.07 0.03 -0.04 7.28 7.30 3hy7A1 PHE 430 HE2 -0.01 0.00 -0.04 -0.04 7.38 7.29 3hy7A1 PHE 430 HZ 0.00 0.03 -0.08 -0.04 7.32 7.23 3hy7A1 GLY 431 H 0.03 0.55 0.09 -0.55 8.43 8.56 3hy7A1 GLY 431 HA2 0.01 0.03 0.37 -0.51 4.01 3.91 3hy7A1 GLY 431 HA3 0.03 0.07 0.58 -0.51 4.01 4.18 3hy7A1 SER 432 H 0.10 0.22 -0.17 -0.55 8.46 8.06 3hy7A1 SER 432 HA 0.03 0.08 0.53 -0.75 4.49 4.38 3hy7A1 SER 432 HB2 0.02 -0.04 0.12 -0.04 3.95 4.00 3hy7A1 SER 432 HB3 0.03 0.12 -0.23 -0.04 3.93 3.81 3hy7A1 THR 433 H 0.02 0.22 0.15 -0.55 8.28 8.12 3hy7A1 THR 433 HA 0.02 0.18 0.85 -0.75 4.39 4.68 3hy7A1 THR 433 HB 0.03 0.07 0.01 -0.04 4.32 4.39 3hy7A1 THR 433 HG23 0.05 -0.01 -0.20 -0.04 1.22 1.02 3hy7A1 GLU 434 H -0.01 0.18 0.12 -0.55 8.60 8.35 3hy7A1 GLU 434 HA -0.03 0.19 0.85 -0.75 4.29 4.54 3hy7A1 GLU 434 HB2 -0.05 -0.14 0.15 -0.04 2.09 2.02 3hy7A1 GLU 434 HB3 -0.05 0.11 -0.08 -0.04 1.99 1.92 3hy7A1 GLU 434 HG2 -0.05 0.11 0.02 -0.04 2.34 2.38 3hy7A1 GLU 434 HG3 -0.07 0.02 -0.11 -0.04 2.34 2.13 3hy7A1 ASP 435 H -0.03 0.20 0.13 -0.55 8.40 8.15 3hy7A1 ASP 435 HA -0.04 0.08 0.74 -0.75 4.63 4.66 3hy7A1 ASP 435 HB2 -0.04 0.06 0.01 -0.04 2.71 2.70 3hy7A1 ASP 435 HB3 -0.04 -0.03 0.11 -0.04 2.70 2.70 3hy7A1 LYS 436 H -0.07 0.12 0.16 -0.55 8.42 8.08 3hy7A1 LYS 436 HA -0.11 0.16 0.36 -0.75 4.32 3.97 3hy7A1 LYS 436 HB2 -0.08 0.09 -0.26 -0.04 1.87 1.58 3hy7A1 LYS 436 HB3 -0.11 -0.08 0.15 -0.04 1.79 1.71 3hy7A1 LYS 436 HG2 -0.07 0.02 -0.05 -0.04 1.46 1.32 3hy7A1 LYS 436 HG3 -0.07 -0.06 0.04 -0.04 1.46 1.34 3hy7A1 LYS 436 HD2 -0.04 -0.01 -0.05 -0.04 1.69 1.55 3hy7A1 LYS 436 HD3 -0.05 -0.00 -0.16 -0.04 1.68 1.43 3hy7A1 LYS 436 HE2 -0.05 -0.01 -0.09 -0.04 2.99 2.80 3hy7A1 LYS 436 HE3 -0.04 -0.02 -0.06 -0.04 2.99 2.82 3hy7A1 ARG 437 H -0.10 -0.03 -0.27 -0.55 8.46 7.51 3hy7A1 ARG 437 HA -0.25 0.34 0.87 -0.75 4.34 4.54 3hy7A1 ARG 437 HB2 -0.05 -0.18 -0.08 -0.04 1.90 1.55 3hy7A1 ARG 437 HB3 -0.11 0.01 -0.02 -0.04 1.80 1.64 3hy7A1 ARG 437 HG2 -0.07 0.05 -0.45 -0.04 1.67 1.17 3hy7A1 ARG 437 HG3 -0.05 -0.16 -0.24 -0.04 1.67 1.18 3hy7A1 ARG 437 HD2 -0.12 0.17 -0.32 -0.04 3.22 2.91 3hy7A1 ARG 437 HD3 -0.14 0.12 -0.39 -0.04 3.22 2.77 3hy7A1 LEU 438 H -0.41 0.74 0.34 -0.55 8.37 8.48 3hy7A1 LEU 438 HA -0.32 0.07 0.21 -0.75 4.35 3.56 3hy7A1 LEU 438 HB2 -1.08 0.02 0.10 -0.04 1.64 0.63 3hy7A1 LEU 438 HB3 -0.43 0.01 -0.05 -0.04 1.64 1.12 3hy7A1 LEU 438 HG -0.86 0.06 0.09 -0.04 1.64 0.88 3hy7A1 LEU 438 HD13 -1.64 0.00 -0.09 -0.04 0.93 -0.83 3hy7A1 LEU 438 HD23 -0.57 -0.01 0.01 -0.04 0.89 0.28 3hy7A1 MET 439 H 0.03 -0.01 -0.19 -0.55 8.47 7.75 3hy7A1 MET 439 HA 0.05 0.28 0.60 -0.75 4.52 4.69 3hy7A1 MET 439 HB2 0.11 -0.14 0.06 -0.04 2.15 2.14 3hy7A1 MET 439 HB3 0.08 0.09 0.14 -0.04 2.03 2.29 3hy7A1 MET 439 HG2 0.31 -0.06 -0.05 -0.04 2.63 2.78 3hy7A1 MET 439 HG3 0.03 0.08 -0.08 -0.04 2.56 2.54 3hy7A1 MET 439 HE3 -0.85 0.02 -0.18 -0.04 2.10 1.04 3hy7A1 SER 440 H 0.00 0.44 -0.40 -0.55 8.46 7.95 3hy7A1 SER 440 HA 0.00 -0.19 0.57 -0.75 4.49 4.12 3hy7A1 SER 440 HB2 -0.06 -0.08 0.17 -0.04 3.95 3.94 3hy7A1 SER 440 HB3 -0.08 0.20 0.06 -0.04 3.93 4.08 3hy7A1 SER 441 H -0.12 -0.01 0.19 -0.55 8.46 7.98 3hy7A1 SER 441 HA -0.78 0.16 0.47 -0.75 4.49 3.58 3hy7A1 SER 441 HB2 -0.33 0.02 0.10 -0.04 3.95 3.71 3hy7A1 SER 441 HB3 -0.28 -0.09 0.12 -0.04 3.93 3.63 3hy7A1 ILE 442 H -0.12 0.01 -0.26 -0.55 8.25 7.34 3hy7A1 ILE 442 HA -0.11 0.18 0.96 -0.75 4.18 4.45 3hy7A1 ILE 442 HB -0.07 0.07 0.03 -0.04 1.89 1.88 3hy7A1 ILE 442 HG12 -0.07 0.08 -0.26 -0.04 1.49 1.20 3hy7A1 ILE 442 HG13 -0.05 0.04 -0.06 -0.04 1.21 1.10 3hy7A1 ILE 442 HG23 -0.06 -0.02 -0.13 -0.04 0.93 0.68 3hy7A1 ILE 442 HD13 -0.05 -0.05 0.01 -0.04 0.88 0.74 3hy7A1 LEU 443 H -0.12 0.10 0.08 -0.55 8.37 7.88 3hy7A1 LEU 443 HA -0.15 0.06 0.42 -0.75 4.35 3.92 3hy7A1 LEU 443 HB2 -0.17 -0.00 0.14 -0.04 1.64 1.57 3hy7A1 LEU 443 HB3 -0.17 -0.01 0.07 -0.04 1.64 1.49 3hy7A1 LEU 443 HG -0.32 -0.01 0.02 -0.04 1.64 1.29 3hy7A1 LEU 443 HD13 -0.60 -0.01 -0.01 -0.04 0.93 0.27 3hy7A1 LEU 443 HD23 -0.43 0.02 -0.17 -0.04 0.89 0.26 3hy7A1 THR 444 H -0.12 0.27 0.22 -0.55 8.28 8.10 3hy7A1 THR 444 HA -0.07 0.11 0.74 -0.75 4.39 4.42 3hy7A1 THR 444 HB -0.08 0.00 0.13 -0.04 4.32 4.33 3hy7A1 THR 444 HG23 -0.07 0.03 -0.16 -0.04 1.22 0.98 3hy7A1 SER 445 H -0.04 0.08 0.11 -0.55 8.46 8.07 3hy7A1 SER 445 HA 0.01 0.07 0.60 -0.75 4.49 4.41 3hy7A1 SER 445 HB2 -0.00 0.04 0.09 -0.04 3.95 4.04 3hy7A1 SER 445 HB3 -0.01 -0.01 0.12 -0.04 3.93 4.00 3hy7A1 ILE 446 H -0.09 0.16 0.15 -0.55 8.25 7.92 3hy7A1 ILE 446 HA -0.27 0.34 0.79 -0.75 4.18 4.29 3hy7A1 ILE 446 HB -0.61 -0.07 0.05 -0.04 1.89 1.21 3hy7A1 ILE 446 HG12 -0.67 0.05 -0.26 -0.04 1.49 0.56 3hy7A1 ILE 446 HG13 -1.43 -0.05 -0.10 -0.04 1.21 -0.40 3hy7A1 ILE 446 HG23 -0.51 -0.00 -0.25 -0.04 0.93 0.12 3hy7A1 ILE 446 HD13 -0.41 0.04 -0.41 -0.04 0.88 0.06 3hy7A1 ASP 447 H -0.19 0.53 0.14 -0.55 8.40 8.33 3hy7A1 ASP 447 HA -0.09 0.06 0.72 -0.75 4.63 4.57 3hy7A1 ASP 447 HB2 -0.10 0.08 0.10 -0.04 2.71 2.75 3hy7A1 ASP 447 HB3 -0.13 0.10 0.12 -0.04 2.70 2.74 3hy7A1 ALA 448 H -0.06 0.23 0.16 -0.55 8.40 8.18 3hy7A1 ALA 448 HA -0.12 0.08 0.28 -0.75 4.34 3.82 3hy7A1 ALA 448 HB3 0.00 0.02 0.09 -0.04 1.41 1.47 3hy7A1 SER 449 H -0.05 -0.01 -0.43 -0.55 8.46 7.42 3hy7A1 SER 449 HA 0.17 0.17 0.64 -0.75 4.49 4.72 3hy7A1 SER 449 HB2 0.06 0.04 0.09 -0.04 3.95 4.10 3hy7A1 SER 449 HB3 0.03 -0.03 0.02 -0.04 3.93 3.91 3hy7A1 LYS 450 H -0.17 0.33 -0.34 -0.55 8.42 7.69 3hy7A1 LYS 450 HA -0.26 0.08 0.40 -0.75 4.32 3.78 3hy7A1 LYS 450 HB2 -0.02 0.04 -0.12 -0.04 1.87 1.73 3hy7A1 LYS 450 HB3 -0.08 -0.05 0.15 -0.04 1.79 1.76 3hy7A1 LYS 450 HG2 -0.04 0.11 -0.00 -0.04 1.46 1.49 3hy7A1 LYS 450 HG3 0.03 0.03 0.11 -0.04 1.46 1.58 3hy7A1 LYS 450 HD2 -0.01 -0.01 0.01 -0.04 1.69 1.63 3hy7A1 LYS 450 HD3 -0.04 -0.07 -0.00 -0.04 1.68 1.53 3hy7A1 LYS 450 HE2 0.02 0.05 0.03 -0.04 2.99 3.04 3hy7A1 LYS 450 HE3 -0.02 -0.05 0.01 -0.04 2.99 2.90 3hy7A1 PRO 451 HA -0.46 0.08 0.46 -0.51 4.44 4.01 3hy7A1 PRO 451 HB2 -1.07 -0.03 0.01 -0.04 2.28 1.15 3hy7A1 PRO 451 HB3 -0.54 0.00 0.02 -0.04 2.02 1.46 3hy7A1 PRO 451 HG2 -0.67 0.08 0.03 -0.04 2.03 1.43 3hy7A1 PRO 451 HG3 -0.49 0.10 0.07 -0.04 2.03 1.66 3hy7A1 PRO 451 HD2 -1.15 0.03 0.05 -0.04 3.68 2.57 3hy7A1 PRO 451 HD3 -0.97 0.25 -0.15 -0.04 3.65 2.75 3hy7A1 TRP 452 H -0.13 0.17 -0.29 -0.55 7.97 7.17 3hy7A1 TRP 452 HA -0.14 -0.03 0.98 -0.75 4.62 4.67 3hy7A1 TRP 452 HB2 -0.08 0.05 -0.28 -0.04 3.23 2.88 3hy7A1 TRP 452 HB3 -0.08 0.02 -0.10 -0.04 3.23 3.03 3hy7A1 TRP 452 HD1 -0.06 -0.08 -0.11 -0.04 7.22 6.94 3hy7A1 TRP 452 HE1 -0.20 0.55 -0.06 -0.04 10.20 10.44 3hy7A1 TRP 452 HE3 -0.14 -0.16 0.00 -0.04 7.59 7.26 3hy7A1 TRP 452 HZ2 -1.28 0.02 -0.25 -0.04 7.44 5.89 3hy7A1 TRP 452 HZ3 -0.18 -0.03 -0.14 -0.04 7.13 6.74 3hy7A1 TRP 452 HH2 -0.50 0.10 -0.17 -0.04 7.19 6.58 3hy7A1 SER 453 H 0.17 -0.00 0.12 -0.55 8.46 8.20 3hy7A1 SER 453 HA -0.01 0.22 0.52 -0.75 4.49 4.47 3hy7A1 SER 453 HB2 -0.05 -0.03 0.15 -0.04 3.95 3.98 3hy7A1 SER 453 HB3 0.00 0.06 0.08 -0.04 3.93 4.04 3hy7A1 LYS 454 H -0.13 0.18 0.16 -0.55 8.42 8.08 3hy7A1 LYS 454 HA -0.09 0.21 0.55 -0.75 4.32 4.23 3hy7A1 LYS 454 HB2 -0.18 0.07 0.13 -0.04 1.87 1.85 3hy7A1 LYS 454 HB3 -0.46 -0.05 0.11 -0.04 1.79 1.35 3hy7A1 LYS 454 HG2 -0.39 0.05 -0.02 -0.04 1.46 1.06 3hy7A1 LYS 454 HG3 -0.70 -0.02 -0.20 -0.04 1.46 0.50 3hy7A1 LYS 454 HD2 -0.04 -0.01 0.08 -0.04 1.69 1.68 3hy7A1 LYS 454 HD3 -0.03 0.03 0.02 -0.04 1.68 1.66 3hy7A1 LYS 454 HE2 0.19 -0.05 -0.01 -0.04 2.99 3.08 3hy7A1 LYS 454 HE3 0.08 0.05 -0.01 -0.04 2.99 3.08 3hy7A1 CYS 455 H -0.26 0.03 -0.08 -0.55 8.50 7.64 3hy7A1 CYS 455 HA 0.06 0.16 0.40 -0.75 4.58 4.44 3hy7A1 CYS 455 HB2 -0.06 0.06 0.13 -0.04 2.97 3.06 3hy7A1 CYS 455 HB3 0.05 -0.09 0.05 -0.04 2.97 2.93 3hy7A1 THR 456 H 0.03 -0.06 -0.34 -0.55 8.28 7.37 3hy7A1 THR 456 HA 0.04 0.06 0.43 -0.75 4.39 4.17 3hy7A1 THR 456 HB 0.12 0.05 0.11 -0.04 4.32 4.56 3hy7A1 THR 456 HG23 -0.19 0.05 -0.18 -0.04 1.22 0.86 3hy7A1 SER 457 H 0.00 0.46 -0.10 -0.55 8.46 8.28 3hy7A1 SER 457 HA -0.06 0.15 0.32 -0.75 4.49 4.14 3hy7A1 SER 457 HB2 0.00 0.07 -0.13 -0.04 3.95 3.85 3hy7A1 SER 457 HB3 0.00 0.20 0.12 -0.04 3.93 4.21 3hy7A1 ALA 458 H 0.07 0.56 -0.15 -0.55 8.40 8.33 3hy7A1 ALA 458 HA 0.11 0.05 0.40 -0.75 4.34 4.15 3hy7A1 ALA 458 HB3 0.30 -0.00 0.07 -0.04 1.41 1.73 3hy7A1 THR 459 H 0.14 0.42 -0.25 -0.55 8.28 8.04 3hy7A1 THR 459 HA 0.18 0.00 0.38 -0.75 4.39 4.19 3hy7A1 THR 459 HB 0.10 0.03 0.14 -0.04 4.32 4.54 3hy7A1 THR 459 HG23 0.08 -0.03 -0.07 -0.04 1.22 1.15 3hy7A1 ILE 460 H 0.01 0.71 -0.02 -0.55 8.25 8.40 3hy7A1 ILE 460 HA 0.02 0.09 0.46 -0.75 4.18 4.00 3hy7A1 ILE 460 HB -0.05 0.17 0.12 -0.04 1.89 2.09 3hy7A1 ILE 460 HG12 -0.14 -0.01 0.03 -0.04 1.49 1.33 3hy7A1 ILE 460 HG13 -0.26 -0.04 -0.06 -0.04 1.21 0.81 3hy7A1 ILE 460 HG23 -0.01 -0.01 -0.24 -0.04 0.93 0.63 3hy7A1 ILE 460 HD13 -0.16 0.01 -0.02 -0.04 0.88 0.68 3hy7A1 THR 461 H 0.05 0.56 -0.17 -0.55 8.28 8.18 3hy7A1 THR 461 HA 0.05 0.02 0.37 -0.75 4.39 4.08 3hy7A1 THR 461 HB 0.06 0.08 0.16 -0.04 4.32 4.58 3hy7A1 THR 461 HG23 0.04 -0.03 -0.07 -0.04 1.22 1.12 3hy7A1 GLU 462 H 0.10 0.53 -0.15 -0.55 8.60 8.54 3hy7A1 GLU 462 HA 0.05 0.00 0.48 -0.75 4.29 4.07 3hy7A1 GLU 462 HB2 0.14 0.11 0.14 -0.04 2.09 2.44 3hy7A1 GLU 462 HB3 0.10 -0.07 0.00 -0.04 1.99 1.98 3hy7A1 GLU 462 HG2 0.06 -0.05 0.03 -0.04 2.34 2.34 3hy7A1 GLU 462 HG3 0.10 0.20 0.06 -0.04 2.34 2.66 3hy7A1 PHE 463 H 0.25 0.62 -0.12 -0.55 8.34 8.54 3hy7A1 PHE 463 HA 0.13 -0.02 0.42 -0.75 4.62 4.39 3hy7A1 PHE 463 HB2 0.06 0.07 0.15 -0.04 3.15 3.38 3hy7A1 PHE 463 HB3 0.03 0.13 0.21 -0.04 3.06 3.40 3hy7A1 PHE 463 HD2 0.06 -0.00 -0.11 -0.04 7.28 7.19 3hy7A1 PHE 463 HE2 -0.00 -0.00 -0.10 -0.04 7.38 7.23 3hy7A1 PHE 463 HZ 0.04 0.00 -0.08 -0.04 7.32 7.25 3hy7A1 LEU 464 H 0.18 0.68 -0.10 -0.55 8.37 8.58 3hy7A1 LEU 464 HA -0.05 -0.16 0.43 -0.75 4.35 3.82 3hy7A1 LEU 464 HB2 0.05 0.14 0.10 -0.04 1.64 1.89 3hy7A1 LEU 464 HB3 0.03 -0.02 -0.01 -0.04 1.64 1.60 3hy7A1 LEU 464 HG 0.20 0.16 0.03 -0.04 1.64 1.99 3hy7A1 LEU 464 HD13 0.06 0.01 -0.12 -0.04 0.93 0.84 3hy7A1 LEU 464 HD23 0.15 -0.03 -0.07 -0.04 0.89 0.90 3hy7A1 ASP 465 H 0.00 0.55 -0.10 -0.55 8.40 8.30 3hy7A1 ASP 465 HA -0.05 0.03 0.50 -0.75 4.63 4.36 3hy7A1 ASP 465 HB2 -0.00 0.10 0.20 -0.04 2.71 2.97 3hy7A1 ASP 465 HB3 -0.02 -0.06 0.02 -0.04 2.70 2.59 3hy7A1 ASP 466 H -0.14 0.49 -0.29 -0.55 8.40 7.91 3hy7A1 ASP 466 HA -0.18 0.05 0.58 -0.75 4.63 4.33 3hy7A1 ASP 466 HB2 -0.28 0.10 0.14 -0.04 2.71 2.63 3hy7A1 ASP 466 HB3 -0.38 -0.09 0.13 -0.04 2.70 2.32 3hy7A1 GLY 467 H -0.29 0.32 -0.56 -0.55 8.43 7.36 3hy7A1 GLY 467 HA2 -0.19 0.05 0.26 -0.51 4.01 3.63 3hy7A1 GLY 467 HA3 -0.24 0.08 0.35 -0.51 4.01 3.69 3hy7A1 HIS 468 H -0.60 0.50 0.05 -0.55 8.41 7.81 3hy7A1 HIS 468 HA -0.26 0.15 0.63 -0.75 4.63 4.40 3hy7A1 HIS 468 HB2 -2.05 0.08 0.01 -0.04 3.26 1.26 3hy7A1 HIS 468 HB3 -0.71 0.00 0.13 -0.04 3.20 2.58 3hy7A1 HIS 468 HD2 -0.15 -0.01 -0.13 -0.04 6.97 6.63 3hy7A1 HIS 468 HE1 -0.06 -0.05 -0.00 -0.04 7.75 7.58 3hy7A1 GLY 469 H -0.18 0.16 -0.17 -0.55 8.43 7.68 3hy7A1 GLY 469 HA2 0.11 0.18 0.76 -0.51 4.01 4.55 3hy7A1 GLY 469 HA3 0.10 0.08 0.27 -0.51 4.01 3.96 3hy7A1 ASN 470 H -0.04 0.30 -0.27 -0.55 8.53 7.98 3hy7A1 ASN 470 HA -0.01 0.13 0.40 -0.75 4.76 4.52 3hy7A1 ASN 470 HB2 -0.02 0.06 0.10 -0.04 2.88 2.98 3hy7A1 ASN 470 HB3 -0.02 -0.02 0.09 -0.04 2.79 2.80 3hy7A1 ASN 470 HD21 -0.08 -0.02 0.10 -0.04 7.03 6.99 3hy7A1 ASN 470 HD22 -0.05 -0.00 0.11 -0.04 7.74 7.75 3hy7A1 CYS 471 H 0.03 0.13 -0.31 -0.55 8.50 7.81 3hy7A1 CYS 471 HA 0.02 0.07 0.52 -0.75 4.58 4.44 3hy7A1 CYS 471 HB2 0.08 0.00 0.15 -0.04 2.97 3.16 3hy7A1 CYS 471 HB3 0.05 -0.01 0.10 -0.04 2.97 3.07 3hy7A1 LEU 472 H 0.04 0.40 -0.57 -0.55 8.37 7.70 3hy7A1 LEU 472 HA 0.05 0.28 0.88 -0.75 4.35 4.81 3hy7A1 LEU 472 HB2 0.05 0.16 0.03 -0.04 1.64 1.84 3hy7A1 LEU 472 HB3 0.04 -0.11 0.02 -0.04 1.64 1.56 3hy7A1 LEU 472 HG 0.08 -0.12 -0.12 -0.04 1.64 1.44 3hy7A1 LEU 472 HD13 0.08 -0.01 -0.09 -0.04 0.93 0.86 3hy7A1 LEU 472 HD23 0.06 0.01 -0.16 -0.04 0.89 0.76 3hy7A1 LEU 473 H 0.02 0.25 -0.26 -0.55 8.37 7.84 3hy7A1 LEU 473 HA 0.02 0.25 0.47 -0.75 4.35 4.33 3hy7A1 LEU 473 HB2 0.00 0.04 0.13 -0.04 1.64 1.77 3hy7A1 LEU 473 HB3 0.00 -0.07 0.03 -0.04 1.64 1.56 3hy7A1 LEU 473 HG 0.01 -0.01 0.04 -0.04 1.64 1.64 3hy7A1 LEU 473 HD13 -0.01 -0.00 0.07 -0.04 0.93 0.94 3hy7A1 LEU 473 HD23 0.00 0.03 -0.04 -0.04 0.89 0.84 3hy7A1 ASP 474 H 0.02 0.05 -0.20 -0.55 8.40 7.73 3hy7A1 ASP 474 HA 0.01 0.06 0.52 -0.75 4.63 4.46 3hy7A1 ASP 474 HB2 0.01 -0.01 0.06 -0.04 2.71 2.72 3hy7A1 ASP 474 HB3 0.00 -0.09 0.02 -0.04 2.70 2.59 3hy7A1 LEU 475 H 0.02 0.04 0.11 -0.55 8.37 7.99 3hy7A1 LEU 475 HA 0.03 0.18 0.64 -0.75 4.35 4.45 3hy7A1 LEU 475 HB2 0.02 -0.07 0.04 -0.04 1.64 1.59 3hy7A1 LEU 475 HB3 0.02 0.08 -0.02 -0.04 1.64 1.68 3hy7A1 LEU 475 HG 0.01 0.02 -0.06 -0.04 1.64 1.57 3hy7A1 LEU 475 HD13 0.01 -0.02 -0.02 -0.04 0.93 0.86 3hy7A1 LEU 475 HD23 0.02 0.01 -0.08 -0.04 0.89 0.81 3hy7A1 PRO 476 HA 0.06 0.11 0.47 -0.51 4.44 4.57 3hy7A1 PRO 476 HB2 0.05 0.06 -0.21 -0.04 2.28 2.14 3hy7A1 PRO 476 HB3 0.06 0.02 0.02 -0.04 2.02 2.08 3hy7A1 PRO 476 HG2 0.04 -0.01 -0.03 -0.04 2.03 1.99 3hy7A1 PRO 476 HG3 0.04 -0.01 -0.05 -0.04 2.03 1.97 3hy7A1 PRO 476 HD2 0.04 0.05 0.14 -0.04 3.68 3.87 3hy7A1 PRO 476 HD3 0.05 0.18 0.06 -0.04 3.65 3.90 3hy7A1 ARG 477 H 0.05 0.22 0.18 -0.55 8.46 8.36 3hy7A1 ARG 477 HA 0.02 0.16 0.80 -0.75 4.34 4.58 3hy7A1 ARG 477 HB2 0.03 0.06 0.11 -0.04 1.90 2.07 3hy7A1 ARG 477 HB3 0.02 -0.08 0.04 -0.04 1.80 1.74 3hy7A1 ARG 477 HG2 0.01 -0.05 0.06 -0.04 1.67 1.65 3hy7A1 ARG 477 HG3 0.02 0.09 -0.06 -0.04 1.67 1.68 3hy7A1 ARG 477 HD2 -0.01 -0.05 0.03 -0.04 3.22 3.15 3hy7A1 ARG 477 HD3 0.00 0.21 0.03 -0.04 3.22 3.43 3hy7A1 LYS 478 H 0.05 0.24 0.04 -0.55 8.42 8.20 3hy7A1 LYS 478 HA 0.03 0.08 0.56 -0.75 4.32 4.24 3hy7A1 LYS 478 HB2 0.04 -0.01 -0.02 -0.04 1.87 1.85 3hy7A1 LYS 478 HB3 0.06 0.14 0.12 -0.04 1.79 2.07 3hy7A1 LYS 478 HG2 0.05 0.06 -0.18 -0.04 1.46 1.35 3hy7A1 LYS 478 HG3 0.04 -0.05 -0.01 -0.04 1.46 1.40 3hy7A1 LYS 478 HD2 0.04 -0.06 -0.04 -0.04 1.69 1.60 3hy7A1 LYS 478 HD3 0.04 -0.03 -0.01 -0.04 1.68 1.64 3hy7A1 LYS 478 HE2 0.07 0.01 -0.10 -0.04 2.99 2.93 3hy7A1 LYS 478 HE3 0.07 0.15 -0.02 -0.04 2.99 3.15 3hy7A1 GLN 479 H 0.03 0.22 0.04 -0.55 8.47 8.21 3hy7A1 GLN 479 HA 0.04 0.26 0.84 -0.75 4.36 4.75 3hy7A1 GLN 479 HB2 0.03 0.01 -0.25 -0.04 2.15 1.90 3hy7A1 GLN 479 HB3 0.03 -0.03 -0.00 -0.04 2.02 1.98 3hy7A1 GLN 479 HG2 0.03 -0.01 0.02 -0.04 2.40 2.40 3hy7A1 GLN 479 HG3 0.04 0.01 -0.07 -0.04 2.39 2.33 3hy7A1 GLN 479 HE21 0.03 0.00 -0.01 -0.04 6.97 6.96 3hy7A1 GLN 479 HE22 0.03 -0.06 0.06 -0.04 7.69 7.67 3hy7A1 ILE 480 H 0.03 0.72 0.19 -0.55 8.25 8.64 3hy7A1 ILE 480 HA 0.02 0.17 0.42 -0.75 4.18 4.04 3hy7A1 ILE 480 HB 0.03 0.16 -0.14 -0.04 1.89 1.90 3hy7A1 ILE 480 HG12 0.03 -0.04 -0.11 -0.04 1.49 1.33 3hy7A1 ILE 480 HG13 0.03 0.00 -0.35 -0.04 1.21 0.85 3hy7A1 ILE 480 HG23 0.01 -0.03 -0.06 -0.04 0.93 0.81 3hy7A1 ILE 480 HD13 0.04 0.03 -0.24 -0.04 0.88 0.66