============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 27 1.000 21.573 50.504 46.089 -99.200 -91.000 HIS 32 0.900 11.863 55.161 54.434 -99.200 -91.000 TYR 48 0.840 23.273 70.763 74.215 -99.200 -91.000 PHE 65 1.000 19.008 46.143 69.282 -99.200 -91.000 PHE 89 1.000 36.624 55.893 71.946 -99.200 -91.000 PHE 92 1.000 36.104 46.974 72.482 -99.200 -91.000 TYR 108 0.840 42.365 42.066 63.234 -99.200 -91.000 TRP 109 1.040 35.651 47.713 60.542 -99.200 -91.000 TRP6 109 1.020 34.652 48.960 62.288 -99.200 -91.000 TYR 112 0.840 35.768 44.600 65.318 -99.200 -91.000 PHE 118 1.000 42.555 56.503 72.292 -99.200 -91.000 PHE 134 1.000 38.845 33.966 55.228 -99.200 -91.000 TYR 165 0.840 31.596 34.380 62.045 -99.200 -91.000 HIS 180 0.900 36.139 29.221 79.754 -99.200 -91.000 PHE 182 1.000 34.913 35.172 77.329 -99.200 -91.000 TYR 183 0.840 31.129 42.578 80.154 -99.200 -91.000 TYR 190 0.840 28.689 45.095 56.934 -99.200 -91.000 HIS 192 0.900 18.082 44.647 58.618 -99.200 -91.000 TYR 195 0.840 24.158 39.339 49.810 -99.200 -91.000 HIS 199 0.900 22.431 38.847 62.276 -99.200 -91.000 PHE 200 1.000 21.419 32.366 67.557 -99.200 -91.000 HIS 209 0.900 27.796 35.902 80.930 -99.200 -91.000 PHE 220 1.000 17.386 50.878 57.919 -99.200 -91.000 TRP 225 1.040 21.786 60.257 57.067 -99.200 -91.000 TRP6 225 1.020 19.891 61.627 57.408 -99.200 -91.000 TYR 229 0.840 20.388 51.194 65.581 -99.200 -91.000 TRP 257 1.040 13.433 63.828 66.687 -99.200 -91.000 TRP6 257 1.020 11.397 62.992 67.559 -99.200 -91.000 PHE 272 1.000 17.791 51.607 50.782 -99.200 -91.000 TYR 280 0.840 24.246 46.039 48.659 -99.200 -91.000 PHE 305 1.000 28.952 47.157 51.526 -99.200 -91.000 TYR 306 0.840 33.117 45.161 52.958 -99.200 -91.000 PHE 338 1.000 40.413 45.216 56.315 -99.200 -91.000 PHE 341 1.000 49.276 39.605 57.908 -99.200 -91.000 HIS 343 0.900 43.612 35.867 51.461 -99.200 -91.000 TYR 348 0.840 29.533 42.124 46.818 -99.200 -91.000 PHE 362 1.000 40.345 42.418 39.262 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 5bj4A1 MET 1 HA 0.00 -0.09 0.17 -0.75 4.52 3.84 5bj4A1 MET 1 HB2 -0.00 -0.04 0.06 -0.04 2.15 2.12 5bj4A1 MET 1 HB3 -0.00 0.01 -0.03 -0.04 2.03 1.97 5bj4A1 MET 1 HG2 -0.00 -0.03 0.04 -0.04 2.63 2.60 5bj4A1 MET 1 HG3 0.00 0.28 0.06 -0.04 2.56 2.86 5bj4A1 MET 1 HE3 0.00 0.07 0.08 -0.04 2.10 2.21 5bj4A1 ARG 2 H 0.00 0.06 0.12 -0.55 8.46 8.09 5bj4A1 ARG 2 HA 0.00 0.23 0.92 -0.75 4.34 4.74 5bj4A1 ARG 2 HB2 0.00 -0.04 0.08 -0.04 1.90 1.90 5bj4A1 ARG 2 HB3 0.00 -0.04 0.06 -0.04 1.80 1.78 5bj4A1 ARG 2 HG2 0.00 0.04 0.03 -0.04 1.67 1.70 5bj4A1 ARG 2 HG3 0.00 0.01 -0.14 -0.04 1.67 1.50 5bj4A1 ARG 2 HD2 0.00 -0.02 -0.00 -0.04 3.22 3.16 5bj4A1 ARG 2 HD3 0.00 0.00 -0.01 -0.04 3.22 3.17 5bj4A1 GLY 3 H 0.00 0.15 0.12 -0.55 8.43 8.17 5bj4A1 GLY 3 HA2 0.00 -0.05 0.33 -0.51 4.01 3.78 5bj4A1 GLY 3 HA3 0.00 0.23 0.74 -0.51 4.01 4.48 5bj4A1 LEU 4 H 0.00 0.11 0.14 -0.55 8.37 8.07 5bj4A1 LEU 4 HA 0.01 0.10 0.63 -0.75 4.35 4.34 5bj4A1 LEU 4 HB2 0.01 0.03 0.07 -0.04 1.64 1.71 5bj4A1 LEU 4 HB3 0.02 0.00 0.09 -0.04 1.64 1.71 5bj4A1 LEU 4 HG 0.01 -0.07 0.03 -0.04 1.64 1.57 5bj4A1 LEU 4 HD13 0.01 0.02 -0.02 -0.04 0.93 0.90 5bj4A1 LEU 4 HD23 0.02 0.01 -0.05 -0.04 0.89 0.83 5bj4A1 SER 5 H 0.01 0.09 0.17 -0.55 8.46 8.18 5bj4A1 SER 5 HA -0.01 0.19 0.56 -0.75 4.49 4.47 5bj4A1 SER 5 HB2 -0.04 -0.01 0.16 -0.04 3.95 4.01 5bj4A1 SER 5 HB3 -0.01 0.13 0.14 -0.04 3.93 4.15 5bj4A1 ARG 6 H -0.03 0.21 0.18 -0.55 8.46 8.26 5bj4A1 ARG 6 HA -0.02 0.13 0.45 -0.75 4.34 4.14 5bj4A1 ARG 6 HB2 -0.05 0.01 0.12 -0.04 1.90 1.94 5bj4A1 ARG 6 HB3 -0.03 0.07 0.01 -0.04 1.80 1.80 5bj4A1 ARG 6 HG2 -0.02 0.03 0.03 -0.04 1.67 1.67 5bj4A1 ARG 6 HG3 -0.02 -0.02 0.09 -0.04 1.67 1.68 5bj4A1 ARG 6 HD2 -0.03 0.01 0.03 -0.04 3.22 3.19 5bj4A1 ARG 6 HD3 -0.02 0.03 0.01 -0.04 3.22 3.19 5bj4A1 ARG 7 H -0.10 0.08 -0.05 -0.55 8.46 7.85 5bj4A1 ARG 7 HA -0.11 0.16 0.38 -0.75 4.34 4.02 5bj4A1 ARG 7 HB2 -0.62 0.16 0.11 -0.04 1.90 1.50 5bj4A1 ARG 7 HB3 -0.29 0.03 0.12 -0.04 1.80 1.62 5bj4A1 ARG 7 HG2 -0.19 -0.17 0.04 -0.04 1.67 1.31 5bj4A1 ARG 7 HG3 -0.27 0.02 -0.19 -0.04 1.67 1.19 5bj4A1 ARG 7 HD2 -0.36 -0.05 -0.01 -0.04 3.22 2.76 5bj4A1 ARG 7 HD3 -1.59 0.15 0.01 -0.04 3.22 1.76 5bj4A1 VAL 8 H -0.01 0.02 -0.43 -0.55 8.24 7.27 5bj4A1 VAL 8 HA 0.21 0.15 0.53 -0.75 4.13 4.27 5bj4A1 VAL 8 HB 0.09 -0.09 0.06 -0.04 2.12 2.14 5bj4A1 VAL 8 HG13 0.04 0.05 -0.12 -0.04 0.97 0.90 5bj4A1 VAL 8 HG23 0.16 0.01 0.01 -0.04 0.95 1.10 5bj4A1 GLN 9 H 0.01 0.31 -0.16 -0.55 8.47 8.09 5bj4A1 GLN 9 HA 0.02 0.06 0.45 -0.75 4.36 4.14 5bj4A1 GLN 9 HB2 0.00 0.02 0.12 -0.04 2.15 2.25 5bj4A1 GLN 9 HB3 0.00 -0.02 0.02 -0.04 2.02 1.98 5bj4A1 GLN 9 HG2 0.01 -0.04 -0.02 -0.04 2.40 2.31 5bj4A1 GLN 9 HG3 0.01 0.08 -0.08 -0.04 2.39 2.35 5bj4A1 GLN 9 HE21 0.00 -0.02 -0.02 -0.04 6.97 6.90 5bj4A1 GLN 9 HE22 0.00 -0.01 -0.01 -0.04 7.69 7.64 5bj4A1 ALA 10 H 0.01 0.45 -0.26 -0.55 8.40 8.05 5bj4A1 ALA 10 HA 0.01 0.02 0.40 -0.75 4.34 4.01 5bj4A1 ALA 10 HB3 -0.00 -0.01 0.04 -0.04 1.41 1.39 5bj4A1 MET 11 H 0.05 0.16 -0.74 -0.55 8.47 7.39 5bj4A1 MET 11 HA 0.04 -0.02 0.44 -0.75 4.52 4.23 5bj4A1 MET 11 HB2 0.06 0.20 0.05 -0.04 2.15 2.42 5bj4A1 MET 11 HB3 0.03 -0.04 -0.06 -0.04 2.03 1.91 5bj4A1 MET 11 HG2 0.19 -0.04 0.01 -0.04 2.63 2.75 5bj4A1 MET 11 HG3 0.22 0.30 0.16 -0.04 2.56 3.20 5bj4A1 MET 11 HE3 -0.04 -0.02 -0.04 -0.04 2.10 1.96 5bj4A1 LYS 12 H -0.01 0.04 0.14 -0.55 8.42 8.04 5bj4A1 LYS 12 HA -0.01 0.20 0.62 -0.75 4.32 4.38 5bj4A1 LYS 12 HB2 -0.04 -0.08 0.11 -0.04 1.87 1.82 5bj4A1 LYS 12 HB3 -0.02 0.05 0.04 -0.04 1.79 1.82 5bj4A1 LYS 12 HG2 -0.01 0.03 0.05 -0.04 1.46 1.49 5bj4A1 LYS 12 HG3 -0.01 -0.05 0.01 -0.04 1.46 1.37 5bj4A1 LYS 12 HD2 0.00 -0.06 -0.01 -0.04 1.69 1.59 5bj4A1 LYS 12 HD3 0.00 0.12 -0.14 -0.04 1.68 1.62 5bj4A1 LYS 12 HE2 0.00 0.13 -0.01 -0.04 2.99 3.07 5bj4A1 LYS 12 HE3 0.01 -0.07 -0.01 -0.04 2.99 2.87 5bj4A1 PRO 13 HA -0.03 0.17 0.48 -0.51 4.44 4.54 5bj4A1 PRO 13 HB2 -0.01 -0.02 0.06 -0.04 2.28 2.27 5bj4A1 PRO 13 HB3 -0.01 0.06 0.03 -0.04 2.02 2.06 5bj4A1 PRO 13 HG2 -0.01 -0.02 0.07 -0.04 2.03 2.03 5bj4A1 PRO 13 HG3 -0.00 0.05 0.05 -0.04 2.03 2.09 5bj4A1 PRO 13 HD2 -0.01 0.05 0.19 -0.04 3.68 3.88 5bj4A1 PRO 13 HD3 -0.00 0.35 0.15 -0.04 3.65 4.11 5bj4A1 GLY 30 HA2 0.00 -0.04 0.11 -0.51 4.01 3.57 5bj4A1 GLY 30 HA3 0.00 -0.05 0.17 -0.51 4.01 3.62 5bj4A1 VAL 31 H 0.00 0.15 0.08 -0.55 8.24 7.91 5bj4A1 VAL 31 HA 0.00 0.12 0.66 -0.75 4.13 4.15 5bj4A1 VAL 31 HB 0.00 -0.04 -0.00 -0.04 2.12 2.04 5bj4A1 VAL 31 HG13 0.00 0.04 -0.09 -0.04 0.97 0.88 5bj4A1 VAL 31 HG23 0.00 0.01 -0.01 -0.04 0.95 0.91 5bj4A1 ASP 32 H -0.00 0.19 0.16 -0.55 8.40 8.19 5bj4A1 ASP 32 HA -0.00 0.07 0.75 -0.75 4.63 4.70 5bj4A1 ASP 32 HB2 -0.01 0.00 0.06 -0.04 2.71 2.73 5bj4A1 ASP 32 HB3 -0.01 0.02 0.19 -0.04 2.70 2.85 5bj4A1 LEU 33 H -0.00 0.17 0.14 -0.55 8.37 8.13 5bj4A1 LEU 33 HA -0.01 0.47 0.97 -0.75 4.35 5.03 5bj4A1 LEU 33 HB2 0.00 -0.08 -0.02 -0.04 1.64 1.50 5bj4A1 LEU 33 HB3 0.00 -0.02 -0.18 -0.04 1.64 1.40 5bj4A1 LEU 33 HG 0.00 -0.01 -0.32 -0.04 1.64 1.27 5bj4A1 LEU 33 HD13 0.01 -0.02 -0.13 -0.04 0.93 0.75 5bj4A1 LEU 33 HD23 0.01 0.05 -0.19 -0.04 0.89 0.71 5bj4A1 VAL 34 H -0.03 0.70 0.34 -0.55 8.24 8.71 5bj4A1 VAL 34 HA -0.02 0.06 0.82 -0.75 4.13 4.23 5bj4A1 VAL 34 HB -0.07 0.01 0.14 -0.04 2.12 2.16 5bj4A1 VAL 34 HG13 -0.04 0.03 -0.06 -0.04 0.97 0.86 5bj4A1 VAL 34 HG23 -0.06 0.03 -0.08 -0.04 0.95 0.80 5bj4A1 ALA 35 H -0.00 0.15 0.11 -0.55 8.40 8.11 5bj4A1 ALA 35 HA 0.02 0.20 1.03 -0.75 4.34 4.84 5bj4A1 ALA 35 HB3 0.02 -0.01 0.07 -0.04 1.41 1.45 5bj4A1 LEU 36 H 0.05 0.83 0.22 -0.55 8.37 8.92 5bj4A1 LEU 36 HA 0.06 0.18 0.82 -0.75 4.35 4.66 5bj4A1 LEU 36 HB2 0.10 0.10 0.20 -0.04 1.64 2.01 5bj4A1 LEU 36 HB3 0.12 -0.12 0.30 -0.04 1.64 1.89 5bj4A1 LEU 36 HG 0.02 -0.00 -0.27 -0.04 1.64 1.35 5bj4A1 LEU 36 HD13 0.11 -0.00 -0.08 -0.04 0.93 0.92 5bj4A1 LEU 36 HD23 0.04 0.06 -0.11 -0.04 0.89 0.83 5bj4A1 THR 37 H 0.06 0.05 -0.29 -0.55 8.28 7.56 5bj4A1 THR 37 HA 0.12 0.27 0.89 -0.75 4.39 4.92 5bj4A1 THR 37 HB 0.09 -0.00 -0.03 -0.04 4.32 4.33 5bj4A1 THR 37 HG23 0.07 0.04 -0.39 -0.04 1.22 0.89 5bj4A1 ALA 38 H 0.08 0.06 -0.09 -0.55 8.40 7.90 5bj4A1 ALA 38 HA 0.12 -0.00 0.32 -0.75 4.34 4.02 5bj4A1 ALA 38 HB3 0.00 0.01 0.05 -0.04 1.41 1.44 5bj4A1 GLY 39 H 0.20 0.12 0.11 -0.55 8.43 8.31 5bj4A1 GLY 39 HA2 0.63 0.21 0.78 -0.51 4.01 5.13 5bj4A1 GLY 39 HA3 0.34 -0.01 0.32 -0.51 4.01 4.16 5bj4A1 GLU 40 H 0.15 0.20 -0.15 -0.55 8.60 8.25 5bj4A1 GLU 40 HA 0.33 0.12 0.62 -0.75 4.29 4.60 5bj4A1 GLU 40 HB2 0.15 -0.01 0.07 -0.04 2.09 2.26 5bj4A1 GLU 40 HB3 0.16 -0.02 -0.19 -0.04 1.99 1.90 5bj4A1 GLU 40 HG2 0.09 -0.16 -0.03 -0.04 2.34 2.20 5bj4A1 GLU 40 HG3 0.07 0.28 -0.23 -0.04 2.34 2.42 5bj4A1 PRO 41 HA -0.13 0.02 0.46 -0.51 4.44 4.28 5bj4A1 PRO 41 HB2 0.28 0.12 0.05 -0.04 2.28 2.69 5bj4A1 PRO 41 HB3 0.45 0.02 0.11 -0.04 2.02 2.55 5bj4A1 PRO 41 HG2 0.28 0.01 0.20 -0.04 2.03 2.48 5bj4A1 PRO 41 HG3 0.36 0.10 0.12 -0.04 2.03 2.57 5bj4A1 PRO 41 HD2 0.19 0.02 0.21 -0.04 3.68 4.06 5bj4A1 PRO 41 HD3 0.29 0.09 0.18 -0.04 3.65 4.17 5bj4A1 ASP 42 H -0.09 0.07 0.17 -0.55 8.40 8.01 5bj4A1 ASP 42 HA -0.06 0.14 0.61 -0.75 4.63 4.57 5bj4A1 ASP 42 HB2 -0.19 -0.07 0.04 -0.04 2.71 2.45 5bj4A1 ASP 42 HB3 -0.15 0.34 0.05 -0.04 2.70 2.90 5bj4A1 PHE 43 H 0.08 -0.07 -0.10 -0.55 8.34 7.70 5bj4A1 PHE 43 HA 0.09 0.01 0.36 -0.75 4.62 4.33 5bj4A1 PHE 43 HB2 0.28 -0.03 -0.03 -0.04 3.15 3.33 5bj4A1 PHE 43 HB3 0.33 0.14 0.00 -0.04 3.06 3.49 5bj4A1 PHE 43 HD2 0.04 -0.02 0.03 -0.04 7.28 7.30 5bj4A1 PHE 43 HE2 -0.40 0.03 0.01 -0.04 7.38 6.98 5bj4A1 PHE 43 HZ -0.26 0.01 0.02 -0.04 7.32 7.05 5bj4A1 ASP 44 H 0.28 0.03 0.14 -0.55 8.40 8.30 5bj4A1 ASP 44 HA 0.16 0.12 0.59 -0.75 4.63 4.74 5bj4A1 ASP 44 HB2 0.12 -0.00 0.10 -0.04 2.71 2.89 5bj4A1 ASP 44 HB3 0.14 -0.01 0.02 -0.04 2.70 2.81 5bj4A1 THR 45 H 0.17 0.03 0.17 -0.55 8.28 8.10 5bj4A1 THR 45 HA -0.14 0.26 0.55 -0.75 4.39 4.31 5bj4A1 THR 45 HB -0.12 0.20 0.13 -0.04 4.32 4.50 5bj4A1 THR 45 HG23 0.59 -0.02 0.17 -0.04 1.22 1.93 5bj4A1 PRO 46 HA -0.04 0.07 0.51 -0.51 4.44 4.46 5bj4A1 PRO 46 HB2 0.13 -0.16 0.03 -0.04 2.28 2.23 5bj4A1 PRO 46 HB3 -0.22 0.10 0.15 -0.04 2.02 2.01 5bj4A1 PRO 46 HG2 -0.49 -0.11 0.12 -0.04 2.03 1.50 5bj4A1 PRO 46 HG3 -0.57 0.10 0.11 -0.04 2.03 1.62 5bj4A1 PRO 46 HD2 -0.49 0.36 0.28 -0.04 3.68 3.79 5bj4A1 PRO 46 HD3 -1.51 0.19 0.14 -0.04 3.65 2.43 5bj4A1 GLU 47 H 0.06 0.20 0.17 -0.55 8.60 8.49 5bj4A1 GLU 47 HA 0.03 0.12 0.40 -0.75 4.29 4.08 5bj4A1 GLU 47 HB2 0.07 0.01 0.15 -0.04 2.09 2.27 5bj4A1 GLU 47 HB3 0.05 0.03 -0.09 -0.04 1.99 1.94 5bj4A1 GLU 47 HG2 0.05 0.05 0.07 -0.04 2.34 2.47 5bj4A1 GLU 47 HG3 0.04 0.04 0.03 -0.04 2.34 2.41 5bj4A1 HIS 48 H 0.27 0.13 -0.18 -0.55 8.41 8.09 5bj4A1 HIS 48 HA -0.04 0.11 0.51 -0.75 4.63 4.46 5bj4A1 HIS 48 HB2 -0.06 0.05 0.04 -0.04 3.26 3.25 5bj4A1 HIS 48 HB3 -0.04 0.02 0.07 -0.04 3.20 3.20 5bj4A1 HIS 48 HD2 -0.12 0.05 -0.14 -0.04 6.97 6.72 5bj4A1 HIS 48 HE1 -0.15 0.09 -0.10 -0.04 7.75 7.55 5bj4A1 VAL 49 H -0.59 0.24 -0.30 -0.55 8.24 7.04 5bj4A1 VAL 49 HA -0.41 0.09 0.40 -0.75 4.13 3.45 5bj4A1 VAL 49 HB -0.48 0.21 0.06 -0.04 2.12 1.87 5bj4A1 VAL 49 HG13 -0.80 0.02 -0.16 -0.04 0.97 -0.01 5bj4A1 VAL 49 HG23 -0.86 -0.01 -0.01 -0.04 0.95 0.03 5bj4A1 LYS 50 H -0.09 0.40 -0.12 -0.55 8.42 8.05 5bj4A1 LYS 50 HA 0.26 0.03 0.38 -0.75 4.32 4.24 5bj4A1 LYS 50 HB2 0.05 0.07 0.11 -0.04 1.87 2.06 5bj4A1 LYS 50 HB3 0.11 -0.02 -0.02 -0.04 1.79 1.83 5bj4A1 LYS 50 HG2 0.32 -0.04 -0.01 -0.04 1.46 1.68 5bj4A1 LYS 50 HG3 0.10 0.15 -0.13 -0.04 1.46 1.54 5bj4A1 LYS 50 HD2 0.08 -0.02 -0.06 -0.04 1.69 1.64 5bj4A1 LYS 50 HD3 0.10 -0.03 -0.02 -0.04 1.68 1.68 5bj4A1 LYS 50 HE2 0.16 -0.05 -0.01 -0.04 2.99 3.06 5bj4A1 LYS 50 HE3 0.14 0.17 -0.01 -0.04 2.99 3.25 5bj4A1 GLU 51 H 0.00 0.57 -0.25 -0.55 8.60 8.38 5bj4A1 GLU 51 HA 0.03 0.02 0.43 -0.75 4.29 4.02 5bj4A1 GLU 51 HB2 0.03 0.03 0.10 -0.04 2.09 2.21 5bj4A1 GLU 51 HB3 0.02 0.09 0.14 -0.04 1.99 2.19 5bj4A1 GLU 51 HG2 0.02 -0.01 -0.02 -0.04 2.34 2.29 5bj4A1 GLU 51 HG3 0.01 -0.00 -0.18 -0.04 2.34 2.13 5bj4A1 ALA 52 H -0.03 0.45 -0.23 -0.55 8.40 8.04 5bj4A1 ALA 52 HA 0.02 0.02 0.46 -0.75 4.34 4.08 5bj4A1 ALA 52 HB3 -0.02 0.05 0.13 -0.04 1.41 1.54 5bj4A1 ALA 53 H 0.09 0.44 -0.24 -0.55 8.40 8.15 5bj4A1 ALA 53 HA 0.18 0.04 0.45 -0.75 4.34 4.25 5bj4A1 ALA 53 HB3 0.35 0.04 0.09 -0.04 1.41 1.85 5bj4A1 ARG 54 H 0.07 0.44 -0.12 -0.55 8.46 8.30 5bj4A1 ARG 54 HA 0.02 0.03 0.45 -0.75 4.34 4.09 5bj4A1 ARG 54 HB2 0.02 0.13 0.14 -0.04 1.90 2.14 5bj4A1 ARG 54 HB3 0.01 -0.03 0.01 -0.04 1.80 1.75 5bj4A1 ARG 54 HG2 0.02 -0.03 0.03 -0.04 1.67 1.65 5bj4A1 ARG 54 HG3 0.05 0.15 0.06 -0.04 1.67 1.89 5bj4A1 ARG 54 HD2 0.03 -0.01 -0.01 -0.04 3.22 3.18 5bj4A1 ARG 54 HD3 0.02 -0.01 -0.01 -0.04 3.22 3.17 5bj4A1 ARG 55 H 0.01 0.47 -0.23 -0.55 8.46 8.15 5bj4A1 ARG 55 HA -0.04 0.04 0.49 -0.75 4.34 4.07 5bj4A1 ARG 55 HB2 -0.03 0.14 0.15 -0.04 1.90 2.12 5bj4A1 ARG 55 HB3 -0.07 -0.04 -0.01 -0.04 1.80 1.64 5bj4A1 ARG 55 HG2 -0.02 -0.05 0.03 -0.04 1.67 1.59 5bj4A1 ARG 55 HG3 -0.01 0.24 0.06 -0.04 1.67 1.93 5bj4A1 ARG 55 HD2 -0.03 -0.01 -0.00 -0.04 3.22 3.13 5bj4A1 ARG 55 HD3 -0.01 -0.03 -0.02 -0.04 3.22 3.12 5bj4A1 ALA 56 H -0.03 0.47 -0.16 -0.55 8.40 8.13 5bj4A1 ALA 56 HA -0.28 0.03 0.43 -0.75 4.34 3.76 5bj4A1 ALA 56 HB3 -0.06 0.04 0.14 -0.04 1.41 1.49 5bj4A1 LEU 57 H -0.02 0.46 -0.24 -0.55 8.37 8.03 5bj4A1 LEU 57 HA -0.03 -0.00 0.37 -0.75 4.35 3.93 5bj4A1 LEU 57 HB2 -0.01 0.14 0.20 -0.04 1.64 1.93 5bj4A1 LEU 57 HB3 -0.02 -0.01 -0.03 -0.04 1.64 1.53 5bj4A1 LEU 57 HG 0.02 0.09 0.04 -0.04 1.64 1.75 5bj4A1 LEU 57 HD13 -0.01 -0.02 -0.02 -0.04 0.93 0.84 5bj4A1 LEU 57 HD23 -0.01 -0.02 -0.01 -0.04 0.89 0.81 5bj4A1 ALA 58 H -0.04 0.52 -0.13 -0.55 8.40 8.20 5bj4A1 ALA 58 HA -0.04 0.02 0.44 -0.75 4.34 4.01 5bj4A1 ALA 58 HB3 -0.04 0.01 0.12 -0.04 1.41 1.46 5bj4A1 GLN 59 H -0.10 0.30 -0.46 -0.55 8.47 7.67 5bj4A1 GLN 59 HA -0.09 0.12 0.68 -0.75 4.36 4.32 5bj4A1 GLN 59 HB2 -0.22 0.02 0.12 -0.04 2.15 2.02 5bj4A1 GLN 59 HB3 -0.19 -0.07 0.11 -0.04 2.02 1.83 5bj4A1 GLN 59 HG2 -0.12 -0.04 0.01 -0.04 2.40 2.21 5bj4A1 GLN 59 HG3 -0.11 0.06 -0.03 -0.04 2.39 2.27 5bj4A1 GLN 59 HE21 -0.15 -0.05 -0.03 -0.04 6.97 6.70 5bj4A1 GLN 59 HE22 -0.11 -0.00 -0.02 -0.04 7.69 7.52 5bj4A1 GLY 60 H -0.07 0.38 -0.40 -0.55 8.43 7.78 5bj4A1 GLY 60 HA2 -0.05 0.04 0.29 -0.51 4.01 3.78 5bj4A1 GLY 60 HA3 -0.05 0.06 0.40 -0.51 4.01 3.90 5bj4A1 LYS 61 H -0.12 0.59 -0.10 -0.55 8.42 8.23 5bj4A1 LYS 61 HA -0.04 0.09 0.61 -0.75 4.32 4.22 5bj4A1 LYS 61 HB2 -0.26 -0.02 0.14 -0.04 1.87 1.69 5bj4A1 LYS 61 HB3 -0.13 -0.05 0.08 -0.04 1.79 1.65 5bj4A1 LYS 61 HG2 -0.28 0.02 -0.05 -0.04 1.46 1.11 5bj4A1 LYS 61 HG3 -0.32 0.08 -0.16 -0.04 1.46 1.02 5bj4A1 LYS 61 HD2 -1.02 -0.04 0.03 -0.04 1.69 0.61 5bj4A1 LYS 61 HD3 -2.29 -0.06 0.01 -0.04 1.68 -0.69 5bj4A1 LYS 61 HE2 -0.60 0.00 -0.02 -0.04 2.99 2.33 5bj4A1 LYS 61 HE3 -0.51 0.07 -0.02 -0.04 2.99 2.48 5bj4A1 THR 62 H -0.01 0.55 -0.15 -0.55 8.28 8.13 5bj4A1 THR 62 HA 0.02 0.09 0.78 -0.75 4.39 4.52 5bj4A1 THR 62 HB -0.03 -0.01 0.13 -0.04 4.32 4.37 5bj4A1 THR 62 HG23 -0.02 -0.02 -0.25 -0.04 1.22 0.89 5bj4A1 LYS 63 H 0.04 0.08 -0.03 -0.55 8.42 7.95 5bj4A1 LYS 63 HA -0.10 0.17 0.76 -0.75 4.32 4.40 5bj4A1 LYS 63 HB2 0.06 0.05 -0.01 -0.04 1.87 1.93 5bj4A1 LYS 63 HB3 0.03 -0.02 0.13 -0.04 1.79 1.89 5bj4A1 LYS 63 HG2 0.00 -0.06 0.04 -0.04 1.46 1.40 5bj4A1 LYS 63 HG3 0.02 0.03 0.04 -0.04 1.46 1.51 5bj4A1 LYS 63 HD2 -0.01 0.00 0.02 -0.04 1.69 1.66 5bj4A1 LYS 63 HD3 -0.05 0.04 -0.11 -0.04 1.68 1.52 5bj4A1 LYS 63 HE2 -0.02 0.04 0.00 -0.04 2.99 2.97 5bj4A1 LYS 63 HE3 -0.01 0.00 0.02 -0.04 2.99 2.96 5bj4A1 TYR 64 H -0.02 0.08 0.13 -0.55 8.29 7.93 5bj4A1 TYR 64 HA 0.04 0.03 0.34 -0.75 4.56 4.21 5bj4A1 TYR 64 HB2 0.03 -0.07 0.10 -0.04 3.06 3.08 5bj4A1 TYR 64 HB3 0.03 0.17 -0.05 -0.04 2.98 3.08 5bj4A1 TYR 64 HD2 0.02 0.00 0.03 -0.04 7.15 7.17 5bj4A1 TYR 64 HE2 0.02 0.01 0.01 -0.04 6.85 6.85 5bj4A1 ALA 65 H 0.18 0.14 0.13 -0.55 8.40 8.31 5bj4A1 ALA 65 HA 0.11 0.12 0.73 -0.75 4.34 4.54 5bj4A1 ALA 65 HB3 0.07 -0.01 0.03 -0.04 1.41 1.46 5bj4A1 PRO 66 HA 0.02 0.16 0.49 -0.51 4.44 4.60 5bj4A1 PRO 66 HB2 0.00 0.02 -0.02 -0.04 2.28 2.24 5bj4A1 PRO 66 HB3 0.01 0.05 0.10 -0.04 2.02 2.14 5bj4A1 PRO 66 HG2 0.01 0.02 0.07 -0.04 2.03 2.09 5bj4A1 PRO 66 HG3 0.03 0.06 0.04 -0.04 2.03 2.12 5bj4A1 PRO 66 HD2 0.01 0.00 -0.10 -0.04 3.68 3.55 5bj4A1 PRO 66 HD3 0.05 0.13 0.16 -0.04 3.65 3.95 5bj4A1 PRO 67 HA 0.01 0.39 0.55 -0.51 4.44 4.88 5bj4A1 PRO 67 HB2 0.00 -0.06 0.07 -0.04 2.28 2.25 5bj4A1 PRO 67 HB3 0.00 0.09 0.16 -0.04 2.02 2.23 5bj4A1 PRO 67 HG2 -0.01 -0.00 0.12 -0.04 2.03 2.09 5bj4A1 PRO 67 HG3 -0.02 0.13 0.17 -0.04 2.03 2.27 5bj4A1 PRO 67 HD2 -0.00 0.03 0.20 -0.04 3.68 3.87 5bj4A1 PRO 67 HD3 -0.01 0.10 0.26 -0.04 3.65 3.96 5bj4A1 ALA 68 H 0.00 0.06 -0.22 -0.55 8.40 7.70 5bj4A1 ALA 68 HA 0.01 0.19 0.81 -0.75 4.34 4.61 5bj4A1 ALA 68 HB3 0.00 0.02 0.11 -0.04 1.41 1.49 5bj4A1 GLY 69 H 0.00 0.39 -0.38 -0.55 8.43 7.89 5bj4A1 GLY 69 HA2 -0.02 0.03 0.27 -0.51 4.01 3.79 5bj4A1 GLY 69 HA3 -0.03 0.12 0.83 -0.51 4.01 4.42 5bj4A1 ILE 70 H -0.13 0.09 0.12 -0.55 8.25 7.78 5bj4A1 ILE 70 HA -0.07 0.18 0.51 -0.75 4.18 4.05 5bj4A1 ILE 70 HB -0.29 -0.01 0.12 -0.04 1.89 1.67 5bj4A1 ILE 70 HG12 -0.38 0.05 0.09 -0.04 1.49 1.21 5bj4A1 ILE 70 HG13 -0.43 -0.46 -0.04 -0.04 1.21 0.24 5bj4A1 ILE 70 HG23 -0.14 0.04 0.08 -0.04 0.93 0.88 5bj4A1 ILE 70 HD13 -1.52 0.05 -0.09 -0.04 0.88 -0.72 5bj4A1 PRO 71 HA -0.05 0.12 0.43 -0.51 4.44 4.43 5bj4A1 PRO 71 HB2 -0.02 0.03 -0.01 -0.04 2.28 2.25 5bj4A1 PRO 71 HB3 -0.02 0.09 0.12 -0.04 2.02 2.18 5bj4A1 PRO 71 HG2 -0.01 -0.06 0.12 -0.04 2.03 2.04 5bj4A1 PRO 71 HG3 0.01 0.11 0.10 -0.04 2.03 2.21 5bj4A1 PRO 71 HD2 -0.03 0.07 0.29 -0.04 3.68 3.97 5bj4A1 PRO 71 HD3 -0.01 0.24 0.24 -0.04 3.65 4.07 5bj4A1 GLU 72 H -0.17 0.14 -0.21 -0.55 8.60 7.81 5bj4A1 GLU 72 HA -0.08 0.10 0.37 -0.75 4.29 3.92 5bj4A1 GLU 72 HB2 -0.50 -0.02 0.01 -0.04 2.09 1.54 5bj4A1 GLU 72 HB3 -0.18 0.04 -0.03 -0.04 1.99 1.78 5bj4A1 GLU 72 HG2 0.12 0.05 0.01 -0.04 2.34 2.47 5bj4A1 GLU 72 HG3 0.01 0.02 0.01 -0.04 2.34 2.35 5bj4A1 LEU 73 H -0.27 0.22 -0.32 -0.55 8.37 7.45 5bj4A1 LEU 73 HA -0.20 0.07 0.50 -0.75 4.35 3.96 5bj4A1 LEU 73 HB2 -0.29 -0.05 0.07 -0.04 1.64 1.33 5bj4A1 LEU 73 HB3 -0.15 0.10 -0.10 -0.04 1.64 1.45 5bj4A1 LEU 73 HG -0.25 0.09 -0.00 -0.04 1.64 1.44 5bj4A1 LEU 73 HD13 -0.09 -0.01 -0.02 -0.04 0.93 0.76 5bj4A1 LEU 73 HD23 -0.21 -0.01 -0.11 -0.04 0.89 0.52 5bj4A1 ARG 74 H -0.11 0.43 -0.14 -0.55 8.46 8.09 5bj4A1 ARG 74 HA -0.05 0.05 0.34 -0.75 4.34 3.92 5bj4A1 ARG 74 HB2 -0.04 -0.00 0.04 -0.04 1.90 1.86 5bj4A1 ARG 74 HB3 -0.02 0.21 0.07 -0.04 1.80 2.02 5bj4A1 ARG 74 HG2 -0.02 -0.01 -0.14 -0.04 1.67 1.46 5bj4A1 ARG 74 HG3 -0.06 0.09 -0.21 -0.04 1.67 1.45 5bj4A1 ARG 74 HD2 -0.02 0.05 -0.42 -0.04 3.22 2.79 5bj4A1 ARG 74 HD3 -0.02 -0.12 -0.17 -0.04 3.22 2.87 5bj4A1 GLU 75 H -0.07 0.37 -0.41 -0.55 8.60 7.94 5bj4A1 GLU 75 HA -0.03 0.04 0.47 -0.75 4.29 4.02 5bj4A1 GLU 75 HB2 -0.04 0.15 0.11 -0.04 2.09 2.28 5bj4A1 GLU 75 HB3 -0.05 0.07 0.04 -0.04 1.99 2.02 5bj4A1 GLU 75 HG2 -0.02 -0.02 -0.00 -0.04 2.34 2.26 5bj4A1 GLU 75 HG3 -0.02 -0.03 0.06 -0.04 2.34 2.31 5bj4A1 ALA 76 H -0.10 0.37 -0.15 -0.55 8.40 7.97 5bj4A1 ALA 76 HA -0.08 0.04 0.44 -0.75 4.34 3.99 5bj4A1 ALA 76 HB3 -0.13 0.03 0.10 -0.04 1.41 1.36 5bj4A1 LEU 77 H -0.13 0.52 -0.37 -0.55 8.37 7.84 5bj4A1 LEU 77 HA -0.36 -0.01 0.36 -0.75 4.35 3.58 5bj4A1 LEU 77 HB2 -0.10 0.14 0.10 -0.04 1.64 1.74 5bj4A1 LEU 77 HB3 0.05 0.03 -0.14 -0.04 1.64 1.53 5bj4A1 LEU 77 HG -0.08 -0.01 -0.11 -0.04 1.64 1.40 5bj4A1 LEU 77 HD13 -1.00 -0.03 -0.12 -0.04 0.93 -0.26 5bj4A1 LEU 77 HD23 -0.12 0.02 -0.24 -0.04 0.89 0.51 5bj4A1 ALA 78 H -0.01 0.43 -0.26 -0.55 8.40 8.00 5bj4A1 ALA 78 HA 0.14 0.02 0.21 -0.75 4.34 3.95 5bj4A1 ALA 78 HB3 0.02 0.08 -0.04 -0.04 1.41 1.43 5bj4A1 GLU 79 H -0.03 0.39 -0.32 -0.55 8.60 8.09 5bj4A1 GLU 79 HA -0.00 0.02 0.41 -0.75 4.29 3.97 5bj4A1 GLU 79 HB2 -0.06 0.15 0.16 -0.04 2.09 2.31 5bj4A1 GLU 79 HB3 -0.03 -0.04 0.03 -0.04 1.99 1.91 5bj4A1 GLU 79 HG2 -0.01 -0.04 0.04 -0.04 2.34 2.28 5bj4A1 GLU 79 HG3 -0.02 0.06 0.07 -0.04 2.34 2.41 5bj4A1 LYS 80 H -0.13 0.52 -0.16 -0.55 8.42 8.10 5bj4A1 LYS 80 HA -0.08 -0.01 0.43 -0.75 4.32 3.90 5bj4A1 LYS 80 HB2 -0.20 0.05 0.10 -0.04 1.87 1.78 5bj4A1 LYS 80 HB3 -0.43 0.09 0.17 -0.04 1.79 1.58 5bj4A1 LYS 80 HG2 -0.12 -0.06 -0.03 -0.04 1.46 1.21 5bj4A1 LYS 80 HG3 -0.17 -0.02 -0.05 -0.04 1.46 1.18 5bj4A1 LYS 80 HD2 -0.95 -0.01 -0.13 -0.04 1.69 0.56 5bj4A1 LYS 80 HD3 -0.71 0.04 -0.50 -0.04 1.68 0.47 5bj4A1 LYS 80 HE2 -0.03 -0.03 -0.11 -0.04 2.99 2.78 5bj4A1 LYS 80 HE3 -0.21 -0.03 -0.15 -0.04 2.99 2.56 5bj4A1 PHE 81 H -0.11 0.75 -0.09 -0.55 8.34 8.33 5bj4A1 PHE 81 HA 0.00 -0.04 0.35 -0.75 4.62 4.19 5bj4A1 PHE 81 HB2 -0.02 0.14 0.02 -0.04 3.15 3.24 5bj4A1 PHE 81 HB3 -0.01 -0.06 -0.09 -0.04 3.06 2.86 5bj4A1 PHE 81 HD2 -0.01 0.01 -0.17 -0.04 7.28 7.07 5bj4A1 PHE 81 HE2 0.04 -0.01 -0.23 -0.04 7.38 7.14 5bj4A1 PHE 81 HZ 0.21 -0.03 -0.34 -0.04 7.32 7.11 5bj4A1 ARG 82 H 0.09 0.40 -0.34 -0.55 8.46 8.05 5bj4A1 ARG 82 HA 0.06 0.33 0.61 -0.75 4.34 4.59 5bj4A1 ARG 82 HB2 0.05 0.01 0.18 -0.04 1.90 2.10 5bj4A1 ARG 82 HB3 0.03 0.04 0.26 -0.04 1.80 2.09 5bj4A1 ARG 82 HG2 0.02 -0.02 -0.19 -0.04 1.67 1.45 5bj4A1 ARG 82 HG3 0.03 -0.02 -0.02 -0.04 1.67 1.62 5bj4A1 ARG 82 HD2 0.01 -0.05 -0.02 -0.04 3.22 3.11 5bj4A1 ARG 82 HD3 0.02 -0.01 0.00 -0.04 3.22 3.19 5bj4A1 ARG 83 H 0.02 0.77 0.12 -0.55 8.46 8.81 5bj4A1 ARG 83 HA 0.03 0.02 0.41 -0.75 4.34 4.05 5bj4A1 ARG 83 HB2 0.01 -0.05 0.14 -0.04 1.90 1.96 5bj4A1 ARG 83 HB3 0.00 0.05 0.22 -0.04 1.80 2.04 5bj4A1 ARG 83 HG2 0.02 0.03 -0.29 -0.04 1.67 1.39 5bj4A1 ARG 83 HG3 0.02 -0.04 0.00 -0.04 1.67 1.60 5bj4A1 ARG 83 HD2 0.01 -0.05 -0.02 -0.04 3.22 3.12 5bj4A1 ARG 83 HD3 -0.00 -0.02 -0.01 -0.04 3.22 3.15 5bj4A1 GLU 84 H 0.02 0.59 0.12 -0.55 8.60 8.79 5bj4A1 GLU 84 HA 0.05 0.11 0.62 -0.75 4.29 4.31 5bj4A1 GLU 84 HB2 0.03 0.08 0.05 -0.04 2.09 2.20 5bj4A1 GLU 84 HB3 0.06 -0.05 0.01 -0.04 1.99 1.98 5bj4A1 GLU 84 HG2 0.07 -0.01 -0.00 -0.04 2.34 2.35 5bj4A1 GLU 84 HG3 0.02 0.02 0.11 -0.04 2.34 2.45 5bj4A1 ASN 85 H 0.08 0.23 -0.21 -0.55 8.53 8.08 5bj4A1 ASN 85 HA 0.07 0.24 1.00 -0.75 4.76 5.32 5bj4A1 ASN 85 HB2 0.17 0.17 0.09 -0.04 2.88 3.27 5bj4A1 ASN 85 HB3 0.06 -0.11 0.09 -0.04 2.79 2.80 5bj4A1 ASN 85 HD21 0.10 -0.05 -0.16 -0.04 7.03 6.88 5bj4A1 ASN 85 HD22 0.18 0.07 -0.11 -0.04 7.74 7.85 5bj4A1 GLY 86 H 0.05 0.30 -0.21 -0.55 8.43 8.02 5bj4A1 GLY 86 HA2 0.03 0.14 0.34 -0.51 4.01 4.01 5bj4A1 GLY 86 HA3 0.03 -0.02 0.41 -0.51 4.01 3.92 5bj4A1 LEU 87 H 0.06 0.48 -0.11 -0.55 8.37 8.26 5bj4A1 LEU 87 HA -0.02 0.10 0.57 -0.75 4.35 4.24 5bj4A1 LEU 87 HB2 0.08 0.17 -0.04 -0.04 1.64 1.81 5bj4A1 LEU 87 HB3 -0.02 -0.06 -0.25 -0.04 1.64 1.27 5bj4A1 LEU 87 HG -0.10 0.02 -0.16 -0.04 1.64 1.36 5bj4A1 LEU 87 HD13 -0.09 0.02 -0.29 -0.04 0.93 0.53 5bj4A1 LEU 87 HD23 -0.09 -0.03 -0.09 -0.04 0.89 0.64 5bj4A1 SER 88 H -0.01 0.20 0.04 -0.55 8.46 8.15 5bj4A1 SER 88 HA 0.02 0.17 0.88 -0.75 4.49 4.81 5bj4A1 SER 88 HB2 0.01 0.05 0.10 -0.04 3.95 4.06 5bj4A1 SER 88 HB3 0.00 -0.04 0.14 -0.04 3.93 3.99 5bj4A1 VAL 89 H 0.03 0.35 0.01 -0.55 8.24 8.07 5bj4A1 VAL 89 HA -0.01 0.15 0.85 -0.75 4.13 4.37 5bj4A1 VAL 89 HB -0.02 0.06 -0.03 -0.04 2.12 2.09 5bj4A1 VAL 89 HG13 -0.09 -0.02 -0.26 -0.04 0.97 0.56 5bj4A1 VAL 89 HG23 0.05 0.00 -0.19 -0.04 0.95 0.77 5bj4A1 THR 90 H -0.00 0.12 0.15 -0.55 8.28 7.99 5bj4A1 THR 90 HA 0.01 0.23 0.74 -0.75 4.39 4.62 5bj4A1 THR 90 HB -0.00 0.02 0.12 -0.04 4.32 4.42 5bj4A1 THR 90 HG23 -0.00 0.03 -0.03 -0.04 1.22 1.18 5bj4A1 PRO 91 HA 0.01 0.24 0.31 -0.51 4.44 4.49 5bj4A1 PRO 91 HB2 -0.01 0.02 -0.02 -0.04 2.28 2.23 5bj4A1 PRO 91 HB3 -0.02 -0.01 -0.20 -0.04 2.02 1.75 5bj4A1 PRO 91 HG2 -0.01 0.04 0.06 -0.04 2.03 2.09 5bj4A1 PRO 91 HG3 -0.01 0.07 0.08 -0.04 2.03 2.13 5bj4A1 PRO 91 HD2 -0.00 0.08 0.19 -0.04 3.68 3.92 5bj4A1 PRO 91 HD3 0.00 0.19 0.24 -0.04 3.65 4.04 5bj4A1 GLU 92 H -0.00 0.04 -0.37 -0.55 8.60 7.71 5bj4A1 GLU 92 HA -0.01 0.18 0.48 -0.75 4.29 4.19 5bj4A1 GLU 92 HB2 -0.01 -0.03 -0.01 -0.04 2.09 2.00 5bj4A1 GLU 92 HB3 -0.01 0.05 0.08 -0.04 1.99 2.07 5bj4A1 GLU 92 HG2 -0.00 0.03 0.01 -0.04 2.34 2.33 5bj4A1 GLU 92 HG3 -0.00 0.04 -0.03 -0.04 2.34 2.30 5bj4A1 GLU 93 H -0.01 0.46 -0.32 -0.55 8.60 8.19 5bj4A1 GLU 93 HA -0.02 0.14 0.72 -0.75 4.29 4.37 5bj4A1 GLU 93 HB2 -0.02 -0.03 0.19 -0.04 2.09 2.19 5bj4A1 GLU 93 HB3 -0.04 0.17 0.30 -0.04 1.99 2.37 5bj4A1 GLU 93 HG2 -0.02 -0.03 0.08 -0.04 2.34 2.32 5bj4A1 GLU 93 HG3 -0.01 -0.12 -0.06 -0.04 2.34 2.10 5bj4A1 THR 94 H 0.00 0.27 -0.56 -0.55 8.28 7.45 5bj4A1 THR 94 HA 0.03 0.24 0.93 -0.75 4.39 4.83 5bj4A1 THR 94 HB 0.03 0.19 0.12 -0.04 4.32 4.61 5bj4A1 THR 94 HG23 0.04 -0.00 -0.08 -0.04 1.22 1.14 5bj4A1 ILE 95 H 0.09 0.51 0.32 -0.55 8.25 8.61 5bj4A1 ILE 95 HA 0.03 0.28 0.77 -0.75 4.18 4.50 5bj4A1 ILE 95 HB 0.01 0.07 -0.21 -0.04 1.89 1.72 5bj4A1 ILE 95 HG12 0.04 0.08 -0.18 -0.04 1.49 1.39 5bj4A1 ILE 95 HG13 0.02 0.01 0.18 -0.04 1.21 1.38 5bj4A1 ILE 95 HG23 0.02 -0.02 -0.16 -0.04 0.93 0.73 5bj4A1 ILE 95 HD13 0.01 0.02 -0.20 -0.04 0.88 0.67 5bj4A1 VAL 96 H 0.04 0.65 0.21 -0.55 8.24 8.59 5bj4A1 VAL 96 HA 0.15 0.19 1.02 -0.75 4.13 4.73 5bj4A1 VAL 96 HB 0.02 0.02 0.00 -0.04 2.12 2.13 5bj4A1 VAL 96 HG13 0.08 -0.01 -0.02 -0.04 0.97 0.98 5bj4A1 VAL 96 HG23 0.00 -0.00 -0.06 -0.04 0.95 0.85 5bj4A1 THR 97 H 0.08 0.51 0.15 -0.55 8.28 8.48 5bj4A1 THR 97 HA 0.05 0.31 0.81 -0.75 4.39 4.80 5bj4A1 THR 97 HB 0.05 -0.09 -0.16 -0.04 4.32 4.08 5bj4A1 THR 97 HG23 0.05 0.03 -0.48 -0.04 1.22 0.78 5bj4A1 VAL 98 H 0.04 0.21 0.01 -0.55 8.24 7.95 5bj4A1 VAL 98 HA 0.05 0.38 0.69 -0.75 4.13 4.50 5bj4A1 VAL 98 HB 0.02 -0.03 0.20 -0.04 2.12 2.27 5bj4A1 VAL 98 HG13 0.03 0.01 0.04 -0.04 0.97 1.01 5bj4A1 VAL 98 HG23 0.04 0.02 -0.00 -0.04 0.95 0.96 5bj4A1 GLY 99 H 0.04 0.24 -0.44 -0.55 8.43 7.72 5bj4A1 GLY 99 HA2 0.01 -0.01 0.02 -0.51 4.01 3.52 5bj4A1 GLY 99 HA3 0.04 0.17 0.42 -0.51 4.01 4.14 5bj4A1 GLY 100 H -0.04 0.17 0.09 -0.55 8.43 8.10 5bj4A1 GLY 100 HA2 -0.04 0.15 0.55 -0.51 4.01 4.17 5bj4A1 GLY 100 HA3 -0.07 0.09 0.28 -0.51 4.01 3.80 5bj4A1 SER 101 H 0.10 0.04 -0.25 -0.55 8.46 7.81 5bj4A1 SER 101 HA 0.32 0.09 0.34 -0.75 4.49 4.49 5bj4A1 SER 101 HB2 0.17 0.08 -0.01 -0.04 3.95 4.15 5bj4A1 SER 101 HB3 0.30 -0.03 0.04 -0.04 3.93 4.20 5bj4A1 GLN 102 H 0.07 0.27 -0.41 -0.55 8.47 7.86 5bj4A1 GLN 102 HA 0.12 0.10 0.36 -0.75 4.36 4.19 5bj4A1 GLN 102 HB2 0.03 0.25 0.08 -0.04 2.15 2.46 5bj4A1 GLN 102 HB3 0.06 -0.11 -0.14 -0.04 2.02 1.79 5bj4A1 GLN 102 HG2 0.14 -0.03 -0.00 -0.04 2.40 2.46 5bj4A1 GLN 102 HG3 0.02 0.06 -0.00 -0.04 2.39 2.43 5bj4A1 GLN 102 HE21 0.05 -0.00 -0.02 -0.04 6.97 6.95 5bj4A1 GLN 102 HE22 0.06 0.06 -0.05 -0.04 7.69 7.72 5bj4A1 ALA 103 H 0.07 0.18 -0.49 -0.55 8.40 7.61 5bj4A1 ALA 103 HA 0.03 0.09 0.24 -0.75 4.34 3.94 5bj4A1 ALA 103 HB3 0.02 0.03 -0.05 -0.04 1.41 1.36 5bj4A1 LEU 104 H 0.10 0.39 -0.26 -0.55 8.37 8.06 5bj4A1 LEU 104 HA -0.16 0.05 0.31 -0.75 4.35 3.80 5bj4A1 LEU 104 HB2 0.29 0.09 0.08 -0.04 1.64 2.05 5bj4A1 LEU 104 HB3 0.31 0.01 -0.09 -0.04 1.64 1.83 5bj4A1 LEU 104 HG 0.11 -0.01 -0.04 -0.04 1.64 1.65 5bj4A1 LEU 104 HD13 0.51 -0.03 -0.11 -0.04 0.93 1.26 5bj4A1 LEU 104 HD23 0.08 0.00 -0.09 -0.04 0.89 0.84 5bj4A1 PHE 105 H 0.27 0.50 -0.17 -0.55 8.34 8.39 5bj4A1 PHE 105 HA 0.18 0.05 0.35 -0.75 4.62 4.45 5bj4A1 PHE 105 HB2 0.05 -0.00 0.05 -0.04 3.15 3.20 5bj4A1 PHE 105 HB3 0.04 -0.00 0.10 -0.04 3.06 3.16 5bj4A1 PHE 105 HD2 0.00 -0.02 -0.13 -0.04 7.28 7.10 5bj4A1 PHE 105 HE2 -0.15 0.02 -0.08 -0.04 7.38 7.12 5bj4A1 PHE 105 HZ 0.11 0.02 -0.07 -0.04 7.32 7.34 5bj4A1 ASN 106 H 0.18 0.68 -0.15 -0.55 8.53 8.68 5bj4A1 ASN 106 HA -0.01 0.05 0.40 -0.75 4.76 4.44 5bj4A1 ASN 106 HB2 0.04 0.07 0.06 -0.04 2.88 3.01 5bj4A1 ASN 106 HB3 0.01 -0.02 0.00 -0.04 2.79 2.75 5bj4A1 ASN 106 HD21 0.09 -0.10 -0.10 -0.04 7.03 6.87 5bj4A1 ASN 106 HD22 0.05 0.05 -0.09 -0.04 7.74 7.71 5bj4A1 LEU 107 H -0.12 0.43 -0.35 -0.55 8.37 7.79 5bj4A1 LEU 107 HA -0.18 0.02 0.32 -0.75 4.35 3.76 5bj4A1 LEU 107 HB2 -0.23 0.08 0.04 -0.04 1.64 1.48 5bj4A1 LEU 107 HB3 -0.53 0.12 0.11 -0.04 1.64 1.30 5bj4A1 LEU 107 HG -0.33 -0.01 -0.10 -0.04 1.64 1.16 5bj4A1 LEU 107 HD13 -0.25 -0.03 -0.13 -0.04 0.93 0.48 5bj4A1 LEU 107 HD23 -0.73 -0.00 -0.32 -0.04 0.89 -0.20 5bj4A1 PHE 108 H -0.26 0.51 -0.15 -0.55 8.34 7.89 5bj4A1 PHE 108 HA -0.07 0.02 0.40 -0.75 4.62 4.22 5bj4A1 PHE 108 HB2 -0.11 0.10 0.02 -0.04 3.15 3.12 5bj4A1 PHE 108 HB3 -0.07 0.03 -0.05 -0.04 3.06 2.93 5bj4A1 PHE 108 HD2 -0.00 0.02 -0.17 -0.04 7.28 7.09 5bj4A1 PHE 108 HE2 0.03 -0.06 -0.15 -0.04 7.38 7.16 5bj4A1 PHE 108 HZ -0.08 -0.07 -0.12 -0.04 7.32 7.01 5bj4A1 GLN 109 H -0.13 0.36 -0.29 -0.55 8.47 7.86 5bj4A1 GLN 109 HA -0.07 0.10 0.49 -0.75 4.36 4.13 5bj4A1 GLN 109 HB2 -0.15 0.05 0.12 -0.04 2.15 2.13 5bj4A1 GLN 109 HB3 -0.09 -0.04 0.02 -0.04 2.02 1.88 5bj4A1 GLN 109 HG2 -0.64 0.11 0.03 -0.04 2.40 1.86 5bj4A1 GLN 109 HG3 -0.58 -0.10 -0.06 -0.04 2.39 1.61 5bj4A1 GLN 109 HE21 0.07 0.06 -0.16 -0.04 6.97 6.90 5bj4A1 GLN 109 HE22 -0.22 -0.02 -0.13 -0.04 7.69 7.28 5bj4A1 ALA 110 H -0.08 0.30 -0.39 -0.55 8.40 7.69 5bj4A1 ALA 110 HA -0.03 0.08 0.51 -0.75 4.34 4.14 5bj4A1 ALA 110 HB3 -0.07 -0.03 -0.02 -0.04 1.41 1.25 5bj4A1 ILE 111 H -0.03 0.21 -0.24 -0.55 8.25 7.64 5bj4A1 ILE 111 HA 0.01 0.23 1.12 -0.75 4.18 4.78 5bj4A1 ILE 111 HB 0.04 -0.03 0.08 -0.04 1.89 1.94 5bj4A1 ILE 111 HG12 -0.06 0.24 -0.03 -0.04 1.49 1.60 5bj4A1 ILE 111 HG13 0.11 0.06 -0.31 -0.04 1.21 1.02 5bj4A1 ILE 111 HG23 -0.36 -0.00 -0.15 -0.04 0.93 0.37 5bj4A1 ILE 111 HD13 0.01 -0.04 -0.16 -0.04 0.88 0.65 5bj4A1 LEU 112 H 0.04 0.44 -0.03 -0.55 8.37 8.28 5bj4A1 LEU 112 HA 0.05 0.15 1.13 -0.75 4.35 4.93 5bj4A1 LEU 112 HB2 0.03 0.13 0.07 -0.04 1.64 1.83 5bj4A1 LEU 112 HB3 0.02 0.02 -0.13 -0.04 1.64 1.50 5bj4A1 LEU 112 HG 0.22 -0.05 -0.02 -0.04 1.64 1.75 5bj4A1 LEU 112 HD13 -0.07 -0.03 -0.08 -0.04 0.93 0.71 5bj4A1 LEU 112 HD23 0.11 0.01 -0.24 -0.04 0.89 0.73 5bj4A1 ASP 113 H 0.02 0.12 0.17 -0.55 8.40 8.17 5bj4A1 ASP 113 HA -0.00 0.19 0.78 -0.75 4.63 4.84 5bj4A1 ASP 113 HB2 0.01 -0.05 0.07 -0.04 2.71 2.71 5bj4A1 ASP 113 HB3 0.00 0.04 0.06 -0.04 2.70 2.76 5bj4A1 PRO 114 HA -0.03 0.22 0.42 -0.51 4.44 4.55 5bj4A1 PRO 114 HB2 -0.02 -0.05 0.11 -0.04 2.28 2.28 5bj4A1 PRO 114 HB3 -0.03 0.02 0.13 -0.04 2.02 2.09 5bj4A1 PRO 114 HG2 -0.03 -0.04 0.10 -0.04 2.03 2.02 5bj4A1 PRO 114 HG3 -0.04 0.11 0.10 -0.04 2.03 2.17 5bj4A1 PRO 114 HD2 -0.01 0.03 0.21 -0.04 3.68 3.86 5bj4A1 PRO 114 HD3 -0.02 0.22 0.25 -0.04 3.65 4.06 5bj4A1 GLY 115 H -0.03 0.56 0.24 -0.55 8.43 8.66 5bj4A1 GLY 115 HA2 -0.02 -0.06 0.35 -0.51 4.01 3.78 5bj4A1 GLY 115 HA3 -0.01 0.11 0.70 -0.51 4.01 4.29 5bj4A1 ASP 116 H -0.01 0.56 -0.24 -0.55 8.40 8.16 5bj4A1 ASP 116 HA -0.00 0.10 0.57 -0.75 4.63 4.54 5bj4A1 ASP 116 HB2 0.01 0.02 0.13 -0.04 2.71 2.83 5bj4A1 ASP 116 HB3 0.02 0.00 0.06 -0.04 2.70 2.74 5bj4A1 GLU 117 H -0.02 0.72 0.37 -0.55 8.60 9.13 5bj4A1 GLU 117 HA -0.05 0.22 0.91 -0.75 4.29 4.62 5bj4A1 GLU 117 HB2 -0.06 -0.07 -0.20 -0.04 2.09 1.72 5bj4A1 GLU 117 HB3 -0.06 -0.00 -0.05 -0.04 1.99 1.84 5bj4A1 GLU 117 HG2 -0.04 0.01 -0.10 -0.04 2.34 2.17 5bj4A1 GLU 117 HG3 -0.03 0.16 -0.06 -0.04 2.34 2.37 5bj4A1 VAL 118 H -0.08 0.62 0.33 -0.55 8.24 8.56 5bj4A1 VAL 118 HA -0.08 0.26 0.98 -0.75 4.13 4.54 5bj4A1 VAL 118 HB -0.17 -0.04 0.02 -0.04 2.12 1.89 5bj4A1 VAL 118 HG13 -0.10 -0.02 -0.28 -0.04 0.97 0.52 5bj4A1 VAL 118 HG23 -0.07 0.00 -0.25 -0.04 0.95 0.60 5bj4A1 ILE 119 H -0.12 0.66 0.39 -0.55 8.25 8.62 5bj4A1 ILE 119 HA -0.06 0.33 0.98 -0.75 4.18 4.68 5bj4A1 ILE 119 HB -0.11 -0.08 0.21 -0.04 1.89 1.87 5bj4A1 ILE 119 HG12 -0.09 0.06 -0.08 -0.04 1.49 1.33 5bj4A1 ILE 119 HG13 -0.17 -0.05 -0.09 -0.04 1.21 0.85 5bj4A1 ILE 119 HG23 -0.02 -0.00 -0.14 -0.04 0.93 0.72 5bj4A1 ILE 119 HD13 -0.21 0.01 -0.19 -0.04 0.88 0.45 5bj4A1 VAL 120 H -0.02 0.65 0.37 -0.55 8.24 8.69 5bj4A1 VAL 120 HA 0.01 0.14 0.97 -0.75 4.13 4.50 5bj4A1 VAL 120 HB 0.00 -0.01 -0.04 -0.04 2.12 2.03 5bj4A1 VAL 120 HG13 -0.14 0.00 -0.25 -0.04 0.97 0.54 5bj4A1 VAL 120 HG23 -0.11 0.01 -0.16 -0.04 0.95 0.65 5bj4A1 LEU 121 H 0.16 0.20 0.14 -0.55 8.37 8.33 5bj4A1 LEU 121 HA 0.14 0.36 0.95 -0.75 4.35 5.05 5bj4A1 LEU 121 HB2 0.20 -0.05 0.16 -0.04 1.64 1.91 5bj4A1 LEU 121 HB3 0.13 0.05 -0.02 -0.04 1.64 1.75 5bj4A1 LEU 121 HG 0.10 0.06 -0.03 -0.04 1.64 1.73 5bj4A1 LEU 121 HD13 0.11 -0.04 -0.02 -0.04 0.93 0.94 5bj4A1 LEU 121 HD23 0.06 0.00 -0.18 -0.04 0.89 0.73 5bj4A1 SER 122 H 0.17 0.38 0.13 -0.55 8.46 8.60 5bj4A1 SER 122 HA 0.02 0.03 0.44 -0.75 4.49 4.24 5bj4A1 SER 122 HB2 -0.19 0.14 0.11 -0.04 3.95 3.98 5bj4A1 SER 122 HB3 0.12 -0.04 -0.04 -0.04 3.93 3.93 5bj4A1 PRO 123 HA -0.34 0.31 0.41 -0.51 4.44 4.30 5bj4A1 PRO 123 HB2 -0.33 -0.10 -0.03 -0.04 2.28 1.78 5bj4A1 PRO 123 HB3 -0.30 -0.00 -0.08 -0.04 2.02 1.59 5bj4A1 PRO 123 HG2 -0.65 -0.03 -0.00 -0.04 2.03 1.30 5bj4A1 PRO 123 HG3 -0.21 0.09 -0.03 -0.04 2.03 1.84 5bj4A1 PRO 123 HD2 -0.23 0.01 0.25 -0.04 3.68 3.66 5bj4A1 PRO 123 HD3 0.11 0.19 0.23 -0.04 3.65 4.15 5bj4A1 TYR 124 H -0.62 0.49 0.26 -0.55 8.29 7.88 5bj4A1 TYR 124 HA 0.20 0.23 1.10 -0.75 4.56 5.34 5bj4A1 TYR 124 HB2 0.37 -0.08 0.04 -0.04 3.06 3.36 5bj4A1 TYR 124 HB3 0.23 0.24 -0.15 -0.04 2.98 3.26 5bj4A1 TYR 124 HD2 0.05 0.02 -0.57 -0.04 7.15 6.61 5bj4A1 TYR 124 HE2 -0.01 0.08 -0.10 -0.04 6.85 6.77 5bj4A1 TRP 125 H 0.37 0.12 0.22 -0.55 7.97 8.13 5bj4A1 TRP 125 HA 0.08 0.03 0.42 -0.75 4.62 4.39 5bj4A1 TRP 125 HB2 -0.22 0.15 0.18 -0.04 3.23 3.30 5bj4A1 TRP 125 HB3 -1.08 -0.07 0.15 -0.04 3.23 2.18 5bj4A1 TRP 125 HD1 0.02 0.06 0.01 -0.04 7.22 7.27 5bj4A1 TRP 125 HE1 -0.01 0.06 -0.02 -0.04 10.20 10.19 5bj4A1 TRP 125 HE3 -0.91 0.03 -0.05 -0.04 7.59 6.62 5bj4A1 TRP 125 HZ2 -0.02 0.03 -0.03 -0.04 7.44 7.37 5bj4A1 TRP 125 HZ3 0.08 0.05 -0.11 -0.04 7.13 7.11 5bj4A1 TRP 125 HH2 -0.00 -0.07 -0.07 -0.04 7.19 7.01 5bj4A1 VAL 126 H -0.52 0.12 0.13 -0.55 8.24 7.42 5bj4A1 VAL 126 HA -0.25 0.25 0.31 -0.75 4.13 3.69 5bj4A1 VAL 126 HB -0.61 -0.07 0.04 -0.04 2.12 1.44 5bj4A1 VAL 126 HG13 -0.32 0.03 -0.06 -0.04 0.97 0.58 5bj4A1 VAL 126 HG23 -1.08 0.01 -0.07 -0.04 0.95 -0.23 5bj4A1 SER 127 H -1.41 0.00 -0.32 -0.55 8.46 6.19 5bj4A1 SER 127 HA -0.44 0.13 0.39 -0.75 4.49 3.81 5bj4A1 SER 127 HB2 -1.97 -0.03 -0.03 -0.04 3.95 1.88 5bj4A1 SER 127 HB3 -0.54 0.03 -0.02 -0.04 3.93 3.36 5bj4A1 TYR 128 H -0.32 0.33 -0.24 -0.55 8.29 7.51 5bj4A1 TYR 128 HA 0.03 0.01 0.31 -0.75 4.56 4.16 5bj4A1 TYR 128 HB2 -0.13 0.16 0.06 -0.04 3.06 3.11 5bj4A1 TYR 128 HB3 -0.06 0.01 -0.08 -0.04 2.98 2.80 5bj4A1 TYR 128 HD2 0.28 0.03 -0.03 -0.04 7.15 7.39 5bj4A1 TYR 128 HE2 0.35 0.00 0.00 -0.04 6.85 7.16 5bj4A1 PRO 129 HA -0.20 0.05 0.42 -0.51 4.44 4.21 5bj4A1 PRO 129 HB2 -0.14 0.06 -0.04 -0.04 2.28 2.11 5bj4A1 PRO 129 HB3 -0.32 0.01 0.03 -0.04 2.02 1.69 5bj4A1 PRO 129 HG2 -0.17 0.15 0.04 -0.04 2.03 2.00 5bj4A1 PRO 129 HG3 -0.35 0.07 -0.01 -0.04 2.03 1.70 5bj4A1 PRO 129 HD2 -0.21 0.16 -0.10 -0.04 3.68 3.49 5bj4A1 PRO 129 HD3 -0.58 0.07 -0.00 -0.04 3.65 3.10 5bj4A1 GLU 130 H -0.14 0.23 -0.41 -0.55 8.60 7.73 5bj4A1 GLU 130 HA -0.04 0.09 0.44 -0.75 4.29 4.03 5bj4A1 GLU 130 HB2 -0.14 0.03 0.09 -0.04 2.09 2.03 5bj4A1 GLU 130 HB3 -0.07 -0.01 -0.03 -0.04 1.99 1.84 5bj4A1 GLU 130 HG2 -0.13 0.10 0.03 -0.04 2.34 2.30 5bj4A1 GLU 130 HG3 -0.12 0.01 0.01 -0.04 2.34 2.19 5bj4A1 MET 131 H -0.05 0.55 -0.08 -0.55 8.47 8.34 5bj4A1 MET 131 HA 0.13 0.04 0.44 -0.75 4.52 4.37 5bj4A1 MET 131 HB2 0.10 0.10 0.06 -0.04 2.15 2.37 5bj4A1 MET 131 HB3 0.32 -0.01 -0.10 -0.04 2.03 2.20 5bj4A1 MET 131 HG2 0.25 -0.03 -0.03 -0.04 2.63 2.77 5bj4A1 MET 131 HG3 0.04 0.16 0.03 -0.04 2.56 2.74 5bj4A1 MET 131 HE3 0.12 -0.01 -0.04 -0.04 2.10 2.13 5bj4A1 VAL 132 H -0.24 0.43 -0.23 -0.55 8.24 7.66 5bj4A1 VAL 132 HA -0.46 0.06 0.36 -0.75 4.13 3.34 5bj4A1 VAL 132 HB -0.25 0.06 0.02 -0.04 2.12 1.91 5bj4A1 VAL 132 HG13 -0.20 0.03 -0.44 -0.04 0.97 0.32 5bj4A1 VAL 132 HG23 -0.74 0.03 -0.11 -0.04 0.95 0.09 5bj4A1 ARG 133 H -0.08 0.48 -0.16 -0.55 8.46 8.15 5bj4A1 ARG 133 HA -0.05 0.25 0.35 -0.75 4.34 4.13 5bj4A1 ARG 133 HB2 0.00 0.05 0.07 -0.04 1.90 1.97 5bj4A1 ARG 133 HB3 -0.01 -0.03 -0.01 -0.04 1.80 1.71 5bj4A1 ARG 133 HG2 -0.05 0.06 0.03 -0.04 1.67 1.66 5bj4A1 ARG 133 HG3 -0.07 0.17 0.10 -0.04 1.67 1.83 5bj4A1 ARG 133 HD2 -0.03 -0.01 -0.04 -0.04 3.22 3.11 5bj4A1 ARG 133 HD3 -0.02 -0.00 0.00 -0.04 3.22 3.16 5bj4A1 PHE 134 H 0.15 0.35 -0.41 -0.55 8.34 7.87 5bj4A1 PHE 134 HA -0.00 0.03 0.45 -0.75 4.62 4.34 5bj4A1 PHE 134 HB2 0.04 0.17 0.12 -0.04 3.15 3.44 5bj4A1 PHE 134 HB3 0.05 0.07 0.04 -0.04 3.06 3.17 5bj4A1 PHE 134 HD2 0.07 0.08 -0.11 -0.04 7.28 7.28 5bj4A1 PHE 134 HE2 0.14 -0.02 -0.11 -0.04 7.38 7.34 5bj4A1 PHE 134 HZ 0.08 -0.05 -0.05 -0.04 7.32 7.26 5bj4A1 ALA 135 H 0.03 0.33 -0.43 -0.55 8.40 7.78 5bj4A1 ALA 135 HA -0.05 0.09 0.58 -0.75 4.34 4.20 5bj4A1 ALA 135 HB3 -0.02 0.03 -0.01 -0.04 1.41 1.37 5bj4A1 GLY 136 H -0.06 0.35 -0.65 -0.55 8.43 7.52 5bj4A1 GLY 136 HA2 -0.06 0.01 0.27 -0.51 4.01 3.72 5bj4A1 GLY 136 HA3 -0.05 0.06 0.56 -0.51 4.01 4.07 5bj4A1 GLY 137 H -0.06 0.37 -0.22 -0.55 8.43 7.98 5bj4A1 GLY 137 HA2 -0.05 0.15 0.39 -0.51 4.01 3.99 5bj4A1 GLY 137 HA3 -0.08 -0.01 0.12 -0.51 4.01 3.52 5bj4A1 VAL 138 H -0.06 0.67 0.19 -0.55 8.24 8.49 5bj4A1 VAL 138 HA -0.05 0.11 0.81 -0.75 4.13 4.25 5bj4A1 VAL 138 HB -0.04 0.02 -0.03 -0.04 2.12 2.03 5bj4A1 VAL 138 HG13 -0.03 -0.01 -0.18 -0.04 0.97 0.70 5bj4A1 VAL 138 HG23 -0.03 -0.00 -0.10 -0.04 0.95 0.78 5bj4A1 VAL 139 H -0.06 0.16 0.09 -0.55 8.24 7.89 5bj4A1 VAL 139 HA -0.10 0.21 0.82 -0.75 4.13 4.31 5bj4A1 VAL 139 HB -0.06 -0.01 0.13 -0.04 2.12 2.14 5bj4A1 VAL 139 HG13 -0.11 -0.02 -0.19 -0.04 0.97 0.60 5bj4A1 VAL 139 HG23 -0.14 -0.00 -0.06 -0.04 0.95 0.71 5bj4A1 VAL 140 H -0.06 0.72 0.36 -0.55 8.24 8.71 5bj4A1 VAL 140 HA -0.01 0.11 0.88 -0.75 4.13 4.36 5bj4A1 VAL 140 HB -0.06 -0.01 0.03 -0.04 2.12 2.05 5bj4A1 VAL 140 HG13 -0.02 0.03 -0.10 -0.04 0.97 0.83 5bj4A1 VAL 140 HG23 -0.04 0.01 -0.15 -0.04 0.95 0.73 5bj4A1 GLU 141 H 0.03 0.17 0.10 -0.55 8.60 8.35 5bj4A1 GLU 141 HA 0.07 0.28 1.02 -0.75 4.29 4.91 5bj4A1 GLU 141 HB2 0.13 -0.01 -0.03 -0.04 2.09 2.14 5bj4A1 GLU 141 HB3 0.10 -0.01 0.10 -0.04 1.99 2.14 5bj4A1 GLU 141 HG2 0.14 -0.03 -0.42 -0.04 2.34 2.00 5bj4A1 GLU 141 HG3 0.30 0.01 -0.10 -0.04 2.34 2.51 5bj4A1 VAL 142 H 0.09 0.70 0.36 -0.55 8.24 8.84 5bj4A1 VAL 142 HA 0.05 0.13 0.83 -0.75 4.13 4.38 5bj4A1 VAL 142 HB 0.05 -0.00 0.02 -0.04 2.12 2.15 5bj4A1 VAL 142 HG13 0.03 -0.02 -0.28 -0.04 0.97 0.66 5bj4A1 VAL 142 HG23 0.01 0.02 -0.18 -0.04 0.95 0.76 5bj4A1 GLU 143 H 0.06 0.14 0.09 -0.55 8.60 8.35 5bj4A1 GLU 143 HA 0.09 0.11 0.66 -0.75 4.29 4.39 5bj4A1 GLU 143 HB2 0.08 -0.02 0.06 -0.04 2.09 2.17 5bj4A1 GLU 143 HB3 0.06 -0.05 0.08 -0.04 1.99 2.03 5bj4A1 GLU 143 HG2 0.08 0.15 -0.22 -0.04 2.34 2.31 5bj4A1 GLU 143 HG3 0.09 0.04 0.02 -0.04 2.34 2.45 5bj4A1 THR 144 H 0.12 0.74 0.33 -0.55 8.28 8.91 5bj4A1 THR 144 HA 0.04 0.05 0.71 -0.75 4.39 4.45 5bj4A1 THR 144 HB 0.10 -0.12 -0.39 -0.04 4.32 3.87 5bj4A1 THR 144 HG23 0.06 0.01 -0.22 -0.04 1.22 1.03 5bj4A1 LEU 145 H -0.03 0.18 0.05 -0.55 8.37 8.02 5bj4A1 LEU 145 HA -0.10 0.38 1.02 -0.75 4.35 4.90 5bj4A1 LEU 145 HB2 -0.08 -0.05 0.05 -0.04 1.64 1.51 5bj4A1 LEU 145 HB3 -0.10 -0.05 0.02 -0.04 1.64 1.47 5bj4A1 LEU 145 HG -0.01 0.01 -0.32 -0.04 1.64 1.28 5bj4A1 LEU 145 HD13 -0.02 0.01 -0.04 -0.04 0.93 0.84 5bj4A1 LEU 145 HD23 0.00 0.04 -0.10 -0.04 0.89 0.79 5bj4A1 PRO 146 HA -1.27 0.11 0.36 -0.51 4.44 3.12 5bj4A1 PRO 146 HB2 -0.16 0.02 0.07 -0.04 2.28 2.17 5bj4A1 PRO 146 HB3 -0.22 0.08 0.06 -0.04 2.02 1.90 5bj4A1 PRO 146 HG2 -0.01 0.09 0.08 -0.04 2.03 2.14 5bj4A1 PRO 146 HG3 -0.29 0.10 0.06 -0.04 2.03 1.87 5bj4A1 PRO 146 HD2 -0.13 0.06 0.21 -0.04 3.68 3.78 5bj4A1 PRO 146 HD3 -0.14 0.31 0.29 -0.04 3.65 4.07 5bj4A1 GLU 147 H -0.16 0.15 -0.10 -0.55 8.60 7.94 5bj4A1 GLU 147 HA -0.09 0.12 0.39 -0.75 4.29 3.96 5bj4A1 GLU 147 HB2 -0.05 0.05 -0.06 -0.04 2.09 1.98 5bj4A1 GLU 147 HB3 -0.05 0.04 0.09 -0.04 1.99 2.03 5bj4A1 GLU 147 HG2 -0.08 -0.11 -0.02 -0.04 2.34 2.09 5bj4A1 GLU 147 HG3 -0.04 0.05 -0.01 -0.04 2.34 2.30 5bj4A1 GLU 148 H -0.16 0.12 -0.58 -0.55 8.60 7.43 5bj4A1 GLU 148 HA -0.06 0.21 0.79 -0.75 4.29 4.48 5bj4A1 GLU 148 HB2 -0.08 -0.08 0.13 -0.04 2.09 2.02 5bj4A1 GLU 148 HB3 -0.05 0.08 0.21 -0.04 1.99 2.19 5bj4A1 GLU 148 HG2 -0.04 0.05 -0.01 -0.04 2.34 2.30 5bj4A1 GLU 148 HG3 -0.05 -0.08 -0.22 -0.04 2.34 1.95 5bj4A1 GLY 149 H -0.16 0.47 -0.40 -0.55 8.43 7.80 5bj4A1 GLY 149 HA2 -0.05 0.07 0.30 -0.51 4.01 3.82 5bj4A1 GLY 149 HA3 0.01 0.05 0.43 -0.51 4.01 3.99 5bj4A1 PHE 150 H -0.28 0.58 -0.25 -0.55 8.34 7.84 5bj4A1 PHE 150 HA -0.01 -0.07 -0.03 -0.75 4.62 3.75 5bj4A1 PHE 150 HB2 0.04 0.19 -0.14 -0.04 3.15 3.19 5bj4A1 PHE 150 HB3 0.05 -0.02 0.10 -0.04 3.06 3.15 5bj4A1 PHE 150 HD2 -0.02 0.09 -0.23 -0.04 7.28 7.08 5bj4A1 PHE 150 HE2 -0.11 0.04 -0.03 -0.04 7.38 7.25 5bj4A1 PHE 150 HZ -0.42 0.01 -0.06 -0.04 7.32 6.81 5bj4A1 VAL 151 H 0.01 0.35 -0.46 -0.55 8.24 7.59 5bj4A1 VAL 151 HA -0.26 0.12 0.71 -0.75 4.13 3.95 5bj4A1 VAL 151 HB -0.03 0.10 0.11 -0.04 2.12 2.26 5bj4A1 VAL 151 HG13 -0.14 -0.01 -0.02 -0.04 0.97 0.77 5bj4A1 VAL 151 HG23 0.10 0.01 -0.09 -0.04 0.95 0.94 5bj4A1 PRO 152 HA -0.07 0.05 0.51 -0.51 4.44 4.42 5bj4A1 PRO 152 HB2 -0.08 0.00 -0.19 -0.04 2.28 1.98 5bj4A1 PRO 152 HB3 -0.09 0.09 -0.04 -0.04 2.02 1.94 5bj4A1 PRO 152 HG2 -0.29 -0.03 -0.03 -0.04 2.03 1.65 5bj4A1 PRO 152 HG3 -0.34 0.04 -0.03 -0.04 2.03 1.66 5bj4A1 PRO 152 HD2 -1.19 0.02 0.16 -0.04 3.68 2.63 5bj4A1 PRO 152 HD3 -0.85 0.24 0.08 -0.04 3.65 3.08 5bj4A1 ASP 153 H -0.03 0.20 0.13 -0.55 8.40 8.15 5bj4A1 ASP 153 HA -0.03 0.22 0.76 -0.75 4.63 4.82 5bj4A1 ASP 153 HB2 -0.02 0.12 0.10 -0.04 2.71 2.86 5bj4A1 ASP 153 HB3 -0.01 -0.02 0.23 -0.04 2.70 2.85 5bj4A1 PRO 154 HA 0.01 0.09 0.32 -0.51 4.44 4.35 5bj4A1 PRO 154 HB2 0.00 0.02 0.00 -0.04 2.28 2.26 5bj4A1 PRO 154 HB3 0.01 0.09 -0.02 -0.04 2.02 2.06 5bj4A1 PRO 154 HG2 -0.01 0.05 0.08 -0.04 2.03 2.11 5bj4A1 PRO 154 HG3 -0.00 0.10 0.02 -0.04 2.03 2.11 5bj4A1 PRO 154 HD2 -0.01 0.07 0.21 -0.04 3.68 3.91 5bj4A1 PRO 154 HD3 -0.03 0.44 0.24 -0.04 3.65 4.26 5bj4A1 GLU 155 H -0.00 0.09 -0.35 -0.55 8.60 7.79 5bj4A1 GLU 155 HA 0.01 0.12 0.44 -0.75 4.29 4.10 5bj4A1 GLU 155 HB2 -0.00 -0.05 0.05 -0.04 2.09 2.05 5bj4A1 GLU 155 HB3 0.00 0.07 -0.11 -0.04 1.99 1.91 5bj4A1 GLU 155 HG2 0.00 -0.02 -0.01 -0.04 2.34 2.28 5bj4A1 GLU 155 HG3 0.00 0.03 -0.01 -0.04 2.34 2.32 5bj4A1 ARG 156 H -0.00 0.19 -0.13 -0.55 8.46 7.96 5bj4A1 ARG 156 HA 0.00 0.08 0.43 -0.75 4.34 4.10 5bj4A1 ARG 156 HB2 0.00 0.10 0.10 -0.04 1.90 2.06 5bj4A1 ARG 156 HB3 0.01 0.03 -0.00 -0.04 1.80 1.80 5bj4A1 ARG 156 HG2 0.00 -0.02 0.03 -0.04 1.67 1.64 5bj4A1 ARG 156 HG3 -0.00 -0.08 0.10 -0.04 1.67 1.64 5bj4A1 ARG 156 HD2 0.01 0.07 0.06 -0.04 3.22 3.31 5bj4A1 ARG 156 HD3 0.01 0.02 0.04 -0.04 3.22 3.25 5bj4A1 VAL 157 H 0.00 0.24 -0.32 -0.55 8.24 7.61 5bj4A1 VAL 157 HA -0.00 0.07 0.39 -0.75 4.13 3.84 5bj4A1 VAL 157 HB 0.02 0.11 0.08 -0.04 2.12 2.28 5bj4A1 VAL 157 HG13 0.03 0.00 -0.18 -0.04 0.97 0.79 5bj4A1 VAL 157 HG23 0.01 0.02 -0.13 -0.04 0.95 0.82 5bj4A1 ARG 158 H -0.00 0.55 -0.06 -0.55 8.46 8.40 5bj4A1 ARG 158 HA -0.07 0.03 0.35 -0.75 4.34 3.89 5bj4A1 ARG 158 HB2 -0.00 -0.04 0.09 -0.04 1.90 1.92 5bj4A1 ARG 158 HB3 0.00 0.03 0.23 -0.04 1.80 2.02 5bj4A1 ARG 158 HG2 0.00 0.07 -0.34 -0.04 1.67 1.36 5bj4A1 ARG 158 HG3 0.01 0.00 -0.06 -0.04 1.67 1.58 5bj4A1 ARG 158 HD2 0.02 -0.06 0.00 -0.04 3.22 3.14 5bj4A1 ARG 158 HD3 0.03 -0.02 -0.05 -0.04 3.22 3.14 5bj4A1 ARG 159 H -0.01 0.35 -0.41 -0.55 8.46 7.84 5bj4A1 ARG 159 HA -0.01 0.03 0.33 -0.75 4.34 3.94 5bj4A1 ARG 159 HB2 -0.00 0.13 0.06 -0.04 1.90 2.05 5bj4A1 ARG 159 HB3 0.00 -0.06 0.11 -0.04 1.80 1.81 5bj4A1 ARG 159 HG2 0.00 -0.07 0.02 -0.04 1.67 1.58 5bj4A1 ARG 159 HG3 0.00 0.48 0.13 -0.04 1.67 2.24 5bj4A1 ARG 159 HD2 0.00 0.01 0.01 -0.04 3.22 3.20 5bj4A1 ARG 159 HD3 0.00 -0.04 -0.01 -0.04 3.22 3.14 5bj4A1 ALA 160 H -0.03 0.48 -0.63 -0.55 8.40 7.68 5bj4A1 ALA 160 HA -0.02 0.11 0.74 -0.75 4.34 4.42 5bj4A1 ALA 160 HB3 -0.03 -0.01 0.01 -0.04 1.41 1.34 5bj4A1 ILE 161 H -0.07 0.33 -0.10 -0.55 8.25 7.86 5bj4A1 ILE 161 HA -0.11 -0.04 0.50 -0.75 4.18 3.78 5bj4A1 ILE 161 HB -0.17 0.06 0.11 -0.04 1.89 1.86 5bj4A1 ILE 161 HG12 -0.14 -0.04 -0.08 -0.04 1.49 1.19 5bj4A1 ILE 161 HG13 -0.10 0.11 0.03 -0.04 1.21 1.21 5bj4A1 ILE 161 HG23 -0.01 -0.00 -0.07 -0.04 0.93 0.81 5bj4A1 ILE 161 HD13 -0.16 -0.02 -0.07 -0.04 0.88 0.59 5bj4A1 THR 162 H -0.05 0.09 0.24 -0.55 8.28 8.02 5bj4A1 THR 162 HA 0.02 0.24 0.77 -0.75 4.39 4.65 5bj4A1 THR 162 HB 0.00 0.02 0.19 -0.04 4.32 4.49 5bj4A1 THR 162 HG23 -0.02 0.07 -0.14 -0.04 1.22 1.09 5bj4A1 PRO 163 HA 0.06 0.21 0.58 -0.51 4.44 4.77 5bj4A1 PRO 163 HB2 0.02 0.00 0.05 -0.04 2.28 2.31 5bj4A1 PRO 163 HB3 0.03 0.04 0.14 -0.04 2.02 2.19 5bj4A1 PRO 163 HG2 0.02 0.01 0.08 -0.04 2.03 2.10 5bj4A1 PRO 163 HG3 0.04 0.07 0.05 -0.04 2.03 2.15 5bj4A1 PRO 163 HD2 0.01 0.08 0.21 -0.04 3.68 3.95 5bj4A1 PRO 163 HD3 0.03 0.15 0.20 -0.04 3.65 3.99 5bj4A1 ARG 164 H 0.00 -0.00 -0.31 -0.55 8.46 7.60 5bj4A1 ARG 164 HA 0.01 0.24 0.72 -0.75 4.34 4.56 5bj4A1 ARG 164 HB2 -0.01 -0.04 0.06 -0.04 1.90 1.88 5bj4A1 ARG 164 HB3 -0.01 0.05 0.19 -0.04 1.80 1.99 5bj4A1 ARG 164 HG2 0.01 0.01 -0.13 -0.04 1.67 1.51 5bj4A1 ARG 164 HG3 -0.00 -0.04 -0.00 -0.04 1.67 1.58 5bj4A1 ARG 164 HD2 -0.00 -0.06 -0.02 -0.04 3.22 3.10 5bj4A1 ARG 164 HD3 -0.01 0.11 0.02 -0.04 3.22 3.30 5bj4A1 THR 165 H -0.01 0.29 -0.29 -0.55 8.28 7.72 5bj4A1 THR 165 HA -0.10 -0.01 0.51 -0.75 4.39 4.03 5bj4A1 THR 165 HB -0.11 0.17 0.12 -0.04 4.32 4.46 5bj4A1 THR 165 HG23 -0.69 -0.02 -0.22 -0.04 1.22 0.25 5bj4A1 LYS 166 H -0.04 0.69 0.51 -0.55 8.42 9.02 5bj4A1 LYS 166 HA 0.11 0.20 0.87 -0.75 4.32 4.75 5bj4A1 LYS 166 HB2 0.05 0.01 0.17 -0.04 1.87 2.05 5bj4A1 LYS 166 HB3 0.14 -0.06 -0.05 -0.04 1.79 1.79 5bj4A1 LYS 166 HG2 0.08 0.03 0.04 -0.04 1.46 1.57 5bj4A1 LYS 166 HG3 0.09 -0.01 0.11 -0.04 1.46 1.60 5bj4A1 LYS 166 HD2 0.27 0.01 0.07 -0.04 1.69 2.00 5bj4A1 LYS 166 HD3 0.21 -0.06 0.20 -0.04 1.68 1.99 5bj4A1 LYS 166 HE2 0.22 -0.08 0.08 -0.04 2.99 3.17 5bj4A1 LYS 166 HE3 0.09 -0.02 0.07 -0.04 2.99 3.10 5bj4A1 ALA 167 H -0.06 0.29 0.33 -0.55 8.40 8.42 5bj4A1 ALA 167 HA 0.21 0.31 0.65 -0.75 4.34 4.76 5bj4A1 ALA 167 HB3 0.22 -0.00 -0.10 -0.04 1.41 1.48 5bj4A1 LEU 168 H 0.17 0.62 0.34 -0.55 8.37 8.95 5bj4A1 LEU 168 HA -0.05 0.16 0.95 -0.75 4.35 4.66 5bj4A1 LEU 168 HB2 -0.08 0.03 -0.06 -0.04 1.64 1.48 5bj4A1 LEU 168 HB3 0.28 0.03 0.09 -0.04 1.64 2.00 5bj4A1 LEU 168 HG 0.11 -0.06 -0.43 -0.04 1.64 1.21 5bj4A1 LEU 168 HD13 0.03 0.03 -0.09 -0.04 0.93 0.86 5bj4A1 LEU 168 HD23 0.18 -0.01 -0.13 -0.04 0.89 0.88 5bj4A1 VAL 169 H -0.00 0.74 0.31 -0.55 8.24 8.74 5bj4A1 VAL 169 HA 0.01 0.19 1.05 -0.75 4.13 4.62 5bj4A1 VAL 169 HB -0.17 -0.05 0.19 -0.04 2.12 2.04 5bj4A1 VAL 169 HG13 -0.58 -0.02 -0.08 -0.04 0.97 0.25 5bj4A1 VAL 169 HG23 0.03 0.01 -0.12 -0.04 0.95 0.83 5bj4A1 VAL 170 H 0.03 0.78 0.42 -0.55 8.24 8.92 5bj4A1 VAL 170 HA 0.16 0.15 0.91 -0.75 4.13 4.60 5bj4A1 VAL 170 HB 0.10 -0.02 0.06 -0.04 2.12 2.22 5bj4A1 VAL 170 HG13 0.28 -0.01 -0.12 -0.04 0.97 1.07 5bj4A1 VAL 170 HG23 0.13 0.02 -0.27 -0.04 0.95 0.79 5bj4A1 ASN 171 H 0.17 0.26 0.09 -0.55 8.53 8.50 5bj4A1 ASN 171 HA 0.05 0.24 0.98 -0.75 4.76 5.27 5bj4A1 ASN 171 HB2 0.30 -0.04 -0.05 -0.04 2.88 3.04 5bj4A1 ASN 171 HB3 0.22 0.04 0.20 -0.04 2.79 3.21 5bj4A1 ASN 171 HD21 0.04 -0.13 -0.02 -0.04 7.03 6.87 5bj4A1 ASN 171 HD22 0.04 0.46 0.17 -0.04 7.74 8.38 5bj4A1 SER 172 H -0.05 0.35 0.05 -0.55 8.46 8.26 5bj4A1 SER 172 HA -0.31 0.05 0.49 -0.75 4.49 3.96 5bj4A1 SER 172 HB2 -1.19 0.05 -0.09 -0.04 3.95 2.68 5bj4A1 SER 172 HB3 -0.21 0.02 0.03 -0.04 3.93 3.73 5bj4A1 PRO 173 HA -0.14 0.28 0.41 -0.51 4.44 4.48 5bj4A1 PRO 173 HB2 -0.10 -0.10 -0.13 -0.04 2.28 1.90 5bj4A1 PRO 173 HB3 -0.14 0.07 -0.16 -0.04 2.02 1.75 5bj4A1 PRO 173 HG2 -0.10 0.24 -0.13 -0.04 2.03 2.00 5bj4A1 PRO 173 HG3 -0.04 0.03 -0.07 -0.04 2.03 1.92 5bj4A1 PRO 173 HD2 -0.04 -0.18 -0.09 -0.04 3.68 3.32 5bj4A1 PRO 173 HD3 0.11 0.16 -0.02 -0.04 3.65 3.86 5bj4A1 ASN 174 H -0.15 0.56 0.09 -0.55 8.53 8.50 5bj4A1 ASN 174 HA -0.07 0.13 0.61 -0.75 4.76 4.68 5bj4A1 ASN 174 HB2 -0.12 0.22 0.19 -0.04 2.88 3.12 5bj4A1 ASN 174 HB3 -0.04 -0.28 0.14 -0.04 2.79 2.57 5bj4A1 ASN 174 HD21 0.17 0.16 0.09 -0.04 7.03 7.40 5bj4A1 ASN 174 HD22 0.11 0.24 0.18 -0.04 7.74 8.22 5bj4A1 ASN 175 H -0.05 0.33 0.18 -0.55 8.53 8.44 5bj4A1 ASN 175 HA -0.28 0.14 0.62 -0.75 4.76 4.48 5bj4A1 ASN 175 HB2 -0.11 0.01 -0.03 -0.04 2.88 2.72 5bj4A1 ASN 175 HB3 -0.17 -0.04 0.12 -0.04 2.79 2.66 5bj4A1 ASN 175 HD21 0.06 0.03 -0.04 -0.04 7.03 7.03 5bj4A1 ASN 175 HD22 -0.22 -0.05 -0.03 -0.04 7.74 7.40 5bj4A1 PRO 176 HA -0.52 0.04 0.22 -0.51 4.44 3.66 5bj4A1 PRO 176 HB2 -0.68 0.05 -0.06 -0.04 2.28 1.55 5bj4A1 PRO 176 HB3 -1.10 -0.00 -0.05 -0.04 2.02 0.83 5bj4A1 PRO 176 HG2 -0.48 0.07 -0.20 -0.04 2.03 1.37 5bj4A1 PRO 176 HG3 -0.76 0.03 -0.09 -0.04 2.03 1.17 5bj4A1 PRO 176 HD2 -0.13 0.22 -0.23 -0.04 3.68 3.50 5bj4A1 PRO 176 HD3 0.12 0.13 0.02 -0.04 3.65 3.87 5bj4A1 THR 177 H -0.23 0.14 -0.25 -0.55 8.28 7.39 5bj4A1 THR 177 HA -0.29 0.12 0.41 -0.75 4.39 3.88 5bj4A1 THR 177 HB -0.40 0.05 0.01 -0.04 4.32 3.94 5bj4A1 THR 177 HG23 -0.68 0.03 -0.05 -0.04 1.22 0.47 5bj4A1 GLY 178 H -0.10 0.35 -0.13 -0.55 8.43 8.00 5bj4A1 GLY 178 HA2 -0.10 0.13 0.33 -0.51 4.01 3.86 5bj4A1 GLY 178 HA3 0.02 0.23 0.61 -0.51 4.01 4.35 5bj4A1 ALA 179 H 0.02 -0.02 -0.31 -0.55 8.40 7.55 5bj4A1 ALA 179 HA 0.11 0.09 0.49 -0.75 4.34 4.28 5bj4A1 ALA 179 HB3 0.27 0.05 -0.02 -0.04 1.41 1.66 5bj4A1 VAL 180 H 0.11 0.29 0.18 -0.55 8.24 8.27 5bj4A1 VAL 180 HA -0.06 0.03 0.87 -0.75 4.13 4.22 5bj4A1 VAL 180 HB 0.06 0.03 0.15 -0.04 2.12 2.32 5bj4A1 VAL 180 HG13 0.05 0.01 -0.18 -0.04 0.97 0.81 5bj4A1 VAL 180 HG23 -0.02 0.01 -0.21 -0.04 0.95 0.69 5bj4A1 TYR 181 H -0.09 0.09 0.05 -0.55 8.29 7.79 5bj4A1 TYR 181 HA 0.04 0.17 0.60 -0.75 4.56 4.62 5bj4A1 TYR 181 HB2 0.06 -0.03 0.03 -0.04 3.06 3.07 5bj4A1 TYR 181 HB3 0.05 0.01 0.00 -0.04 2.98 3.00 5bj4A1 TYR 181 HD2 0.06 -0.04 -0.26 -0.04 7.15 6.87 5bj4A1 TYR 181 HE2 0.08 0.01 -0.05 -0.04 6.85 6.84 5bj4A1 PRO 182 HA 0.05 0.13 0.56 -0.51 4.44 4.66 5bj4A1 PRO 182 HB2 -0.00 -0.11 0.08 -0.04 2.28 2.21 5bj4A1 PRO 182 HB3 0.03 0.14 0.16 -0.04 2.02 2.31 5bj4A1 PRO 182 HG2 0.02 -0.23 0.15 -0.04 2.03 1.93 5bj4A1 PRO 182 HG3 0.02 0.14 0.12 -0.04 2.03 2.26 5bj4A1 PRO 182 HD2 0.09 0.08 0.26 -0.04 3.68 4.07 5bj4A1 PRO 182 HD3 0.10 0.30 0.27 -0.04 3.65 4.28 5bj4A1 LYS 183 H -0.05 0.22 0.18 -0.55 8.42 8.22 5bj4A1 LYS 183 HA -0.17 0.10 0.34 -0.75 4.32 3.83 5bj4A1 LYS 183 HB2 -0.41 0.09 0.10 -0.04 1.87 1.61 5bj4A1 LYS 183 HB3 -0.25 -0.02 0.13 -0.04 1.79 1.61 5bj4A1 LYS 183 HG2 -0.52 -0.01 -0.34 -0.04 1.46 0.55 5bj4A1 LYS 183 HG3 -1.90 -0.00 -0.03 -0.04 1.46 -0.52 5bj4A1 LYS 183 HD2 -0.56 0.05 -0.03 -0.04 1.69 1.11 5bj4A1 LYS 183 HD3 -0.29 -0.01 -0.02 -0.04 1.68 1.32 5bj4A1 LYS 183 HE2 -0.23 -0.02 -0.07 -0.04 2.99 2.62 5bj4A1 LYS 183 HE3 -0.39 0.01 -0.07 -0.04 2.99 2.50 5bj4A1 GLU 184 H -0.09 0.09 -0.32 -0.55 8.60 7.74 5bj4A1 GLU 184 HA -0.09 0.09 0.36 -0.75 4.29 3.89 5bj4A1 GLU 184 HB2 -0.04 0.03 -0.01 -0.04 2.09 2.04 5bj4A1 GLU 184 HB3 -0.04 0.05 0.03 -0.04 1.99 1.99 5bj4A1 GLU 184 HG2 -0.05 0.06 0.01 -0.04 2.34 2.33 5bj4A1 GLU 184 HG3 -0.09 0.03 -0.01 -0.04 2.34 2.23 5bj4A1 VAL 185 H 0.00 0.34 -0.16 -0.55 8.24 7.88 5bj4A1 VAL 185 HA -0.00 0.08 0.62 -0.75 4.13 4.08 5bj4A1 VAL 185 HB 0.03 0.08 0.10 -0.04 2.12 2.29 5bj4A1 VAL 185 HG13 -0.07 0.01 -0.08 -0.04 0.97 0.79 5bj4A1 VAL 185 HG23 -0.02 -0.01 0.05 -0.04 0.95 0.92 5bj4A1 LEU 186 H 0.09 0.44 -0.17 -0.55 8.37 8.17 5bj4A1 LEU 186 HA 0.15 0.05 0.35 -0.75 4.35 4.14 5bj4A1 LEU 186 HB2 0.27 0.06 0.02 -0.04 1.64 1.95 5bj4A1 LEU 186 HB3 0.40 -0.03 -0.12 -0.04 1.64 1.84 5bj4A1 LEU 186 HG 0.15 0.04 -0.03 -0.04 1.64 1.76 5bj4A1 LEU 186 HD13 0.24 -0.03 -0.09 -0.04 0.93 1.02 5bj4A1 LEU 186 HD23 0.19 -0.02 -0.16 -0.04 0.89 0.86 5bj4A1 GLU 187 H 0.05 0.50 -0.18 -0.55 8.60 8.42 5bj4A1 GLU 187 HA 0.14 0.03 0.43 -0.75 4.29 4.15 5bj4A1 GLU 187 HB2 -0.02 0.07 0.10 -0.04 2.09 2.20 5bj4A1 GLU 187 HB3 0.02 -0.01 -0.01 -0.04 1.99 1.94 5bj4A1 GLU 187 HG2 0.08 -0.04 -0.01 -0.04 2.34 2.33 5bj4A1 GLU 187 HG3 -0.20 0.33 0.05 -0.04 2.34 2.47 5bj4A1 ALA 188 H 0.02 0.38 -0.26 -0.55 8.40 7.99 5bj4A1 ALA 188 HA 0.01 0.03 0.40 -0.75 4.34 4.02 5bj4A1 ALA 188 HB3 0.01 0.03 0.13 -0.04 1.41 1.54 5bj4A1 LEU 189 H 0.05 0.45 -0.33 -0.55 8.37 7.99 5bj4A1 LEU 189 HA 0.06 0.03 0.40 -0.75 4.35 4.09 5bj4A1 LEU 189 HB2 0.09 0.09 0.08 -0.04 1.64 1.86 5bj4A1 LEU 189 HB3 0.10 -0.02 -0.07 -0.04 1.64 1.61 5bj4A1 LEU 189 HG 0.04 0.23 -0.00 -0.04 1.64 1.86 5bj4A1 LEU 189 HD13 0.09 -0.02 -0.13 -0.04 0.93 0.82 5bj4A1 LEU 189 HD23 0.05 -0.02 -0.12 -0.04 0.89 0.75 5bj4A1 ALA 190 H 0.06 0.45 -0.19 -0.55 8.40 8.17 5bj4A1 ALA 190 HA -0.00 0.03 0.36 -0.75 4.34 3.97 5bj4A1 ALA 190 HB3 0.03 0.02 0.09 -0.04 1.41 1.51 5bj4A1 ARG 191 H -0.01 0.58 -0.17 -0.55 8.46 8.31 5bj4A1 ARG 191 HA -0.09 0.01 0.36 -0.75 4.34 3.87 5bj4A1 ARG 191 HB2 -0.01 0.12 0.12 -0.04 1.90 2.09 5bj4A1 ARG 191 HB3 -0.03 -0.04 -0.00 -0.04 1.80 1.69 5bj4A1 ARG 191 HG2 -0.03 -0.02 0.02 -0.04 1.67 1.59 5bj4A1 ARG 191 HG3 -0.00 0.23 0.03 -0.04 1.67 1.89 5bj4A1 ARG 191 HD2 -0.01 -0.02 -0.03 -0.04 3.22 3.12 5bj4A1 ARG 191 HD3 -0.02 -0.01 -0.01 -0.04 3.22 3.14 5bj4A1 LEU 192 H -0.01 0.42 -0.31 -0.55 8.37 7.92 5bj4A1 LEU 192 HA 0.09 0.01 0.40 -0.75 4.35 4.09 5bj4A1 LEU 192 HB2 0.08 0.17 0.07 -0.04 1.64 1.92 5bj4A1 LEU 192 HB3 0.11 -0.00 -0.08 -0.04 1.64 1.63 5bj4A1 LEU 192 HG 0.04 0.11 0.05 -0.04 1.64 1.80 5bj4A1 LEU 192 HD13 0.04 -0.01 -0.05 -0.04 0.93 0.87 5bj4A1 LEU 192 HD23 0.05 -0.01 -0.01 -0.04 0.89 0.88 5bj4A1 ALA 193 H -0.22 0.37 -0.35 -0.55 8.40 7.65 5bj4A1 ALA 193 HA -2.05 0.05 0.34 -0.75 4.34 1.92 5bj4A1 ALA 193 HB3 -0.26 0.10 0.01 -0.04 1.41 1.22 5bj4A1 VAL 194 H -0.38 0.43 -0.06 -0.55 8.24 7.68 5bj4A1 VAL 194 HA -1.11 0.04 0.46 -0.75 4.13 2.77 5bj4A1 VAL 194 HB -0.24 0.06 0.16 -0.04 2.12 2.05 5bj4A1 VAL 194 HG13 -0.15 -0.01 -0.08 -0.04 0.97 0.68 5bj4A1 VAL 194 HG23 -0.43 0.02 0.02 -0.04 0.95 0.52 5bj4A1 GLU 195 H -0.18 0.65 -0.10 -0.55 8.60 8.42 5bj4A1 GLU 195 HA -0.14 -0.01 0.40 -0.75 4.29 3.79 5bj4A1 GLU 195 HB2 -0.05 0.15 0.11 -0.04 2.09 2.25 5bj4A1 GLU 195 HB3 0.08 0.04 0.06 -0.04 1.99 2.12 5bj4A1 GLU 195 HG2 -0.20 0.01 0.04 -0.04 2.34 2.14 5bj4A1 GLU 195 HG3 -0.08 -0.07 0.01 -0.04 2.34 2.16 5bj4A1 HIS 196 H -0.07 0.54 -0.22 -0.55 8.41 8.12 5bj4A1 HIS 196 HA -0.01 0.14 0.89 -0.75 4.63 4.90 5bj4A1 HIS 196 HB2 0.12 0.11 0.02 -0.04 3.26 3.47 5bj4A1 HIS 196 HB3 0.19 -0.00 0.10 -0.04 3.20 3.44 5bj4A1 HIS 196 HD2 0.07 -0.00 -0.06 -0.04 6.97 6.93 5bj4A1 HIS 196 HE1 0.02 -0.09 -0.05 -0.04 7.75 7.59 5bj4A1 ASP 197 H -0.14 0.14 -0.47 -0.55 8.40 7.38 5bj4A1 ASP 197 HA 0.06 0.03 0.41 -0.75 4.63 4.37 5bj4A1 ASP 197 HB2 0.01 -0.04 -0.13 -0.04 2.71 2.51 5bj4A1 ASP 197 HB3 0.04 0.12 0.04 -0.04 2.70 2.85 5bj4A1 PHE 198 H -0.27 0.42 0.18 -0.55 8.34 8.11 5bj4A1 PHE 198 HA -0.14 0.14 0.53 -0.75 4.62 4.40 5bj4A1 PHE 198 HB2 0.04 -0.07 -0.32 -0.04 3.15 2.76 5bj4A1 PHE 198 HB3 0.02 0.34 -0.13 -0.04 3.06 3.25 5bj4A1 PHE 198 HD2 0.06 0.21 -0.43 -0.04 7.28 7.08 5bj4A1 PHE 198 HE2 -0.02 -0.04 -0.20 -0.04 7.38 7.08 5bj4A1 PHE 198 HZ -0.02 -0.08 -0.31 -0.04 7.32 6.86 5bj4A1 TYR 199 H 0.31 0.68 0.28 -0.55 8.29 9.02 5bj4A1 TYR 199 HA 0.16 0.27 0.94 -0.75 4.56 5.18 5bj4A1 TYR 199 HB2 0.12 0.03 0.20 -0.04 3.06 3.36 5bj4A1 TYR 199 HB3 0.07 -0.08 -0.02 -0.04 2.98 2.91 5bj4A1 TYR 199 HD2 0.04 0.13 0.03 -0.04 7.15 7.31 5bj4A1 TYR 199 HE2 -0.01 0.01 0.00 -0.04 6.85 6.80 5bj4A1 LEU 200 H 0.25 0.79 0.37 -0.55 8.37 9.23 5bj4A1 LEU 200 HA 0.22 0.17 0.90 -0.75 4.35 4.88 5bj4A1 LEU 200 HB2 0.11 0.07 -0.01 -0.04 1.64 1.77 5bj4A1 LEU 200 HB3 0.09 -0.11 0.08 -0.04 1.64 1.66 5bj4A1 LEU 200 HG 0.10 0.05 -0.17 -0.04 1.64 1.58 5bj4A1 LEU 200 HD13 0.05 -0.03 -0.16 -0.04 0.93 0.75 5bj4A1 LEU 200 HD23 0.13 0.01 -0.12 -0.04 0.89 0.87 5bj4A1 VAL 201 H 0.10 0.65 0.28 -0.55 8.24 8.72 5bj4A1 VAL 201 HA -0.01 0.19 1.01 -0.75 4.13 4.57 5bj4A1 VAL 201 HB 0.01 -0.06 0.16 -0.04 2.12 2.20 5bj4A1 VAL 201 HG13 -0.11 -0.02 -0.13 -0.04 0.97 0.67 5bj4A1 VAL 201 HG23 -0.04 0.02 -0.15 -0.04 0.95 0.74 5bj4A1 SER 202 H -0.01 0.72 0.33 -0.55 8.46 8.95 5bj4A1 SER 202 HA 0.02 0.32 1.11 -0.75 4.49 5.19 5bj4A1 SER 202 HB2 0.00 -0.00 -0.04 -0.04 3.95 3.88 5bj4A1 SER 202 HB3 -0.02 -0.05 0.22 -0.04 3.93 4.04 5bj4A1 ASP 203 H 0.03 0.74 0.37 -0.55 8.40 9.00 5bj4A1 ASP 203 HA 0.01 0.06 0.77 -0.75 4.63 4.72 5bj4A1 ASP 203 HB2 0.11 0.04 0.07 -0.04 2.71 2.90 5bj4A1 ASP 203 HB3 0.11 -0.01 0.26 -0.04 2.70 3.03 5bj4A1 GLU 204 H 0.00 0.78 0.36 -0.55 8.60 9.20 5bj4A1 GLU 204 HA 0.03 0.29 0.90 -0.75 4.29 4.76 5bj4A1 GLU 204 HB2 0.09 0.06 0.12 -0.04 2.09 2.32 5bj4A1 GLU 204 HB3 0.11 -0.05 0.21 -0.04 1.99 2.22 5bj4A1 GLU 204 HG2 0.19 0.16 -0.06 -0.04 2.34 2.59 5bj4A1 GLU 204 HG3 0.06 -0.05 -0.35 -0.04 2.34 1.96 5bj4A1 ILE 205 H -0.17 0.16 -0.17 -0.55 8.25 7.52 5bj4A1 ILE 205 HA -0.22 0.02 0.39 -0.75 4.18 3.61 5bj4A1 ILE 205 HB -0.63 0.00 -0.13 -0.04 1.89 1.08 5bj4A1 ILE 205 HG12 -0.44 -0.03 -0.07 -0.04 1.49 0.90 5bj4A1 ILE 205 HG13 -0.26 0.01 -0.04 -0.04 1.21 0.88 5bj4A1 ILE 205 HG23 -0.27 -0.02 -0.08 -0.04 0.93 0.52 5bj4A1 ILE 205 HD13 -0.59 -0.00 -0.11 -0.04 0.88 0.14 5bj4A1 TYR 206 H -0.15 0.22 -0.38 -0.55 8.29 7.43 5bj4A1 TYR 206 HA -0.20 0.11 0.78 -0.75 4.56 4.50 5bj4A1 TYR 206 HB2 -0.20 0.19 -0.05 -0.04 3.06 2.96 5bj4A1 TYR 206 HB3 -0.24 -0.00 0.14 -0.04 2.98 2.83 5bj4A1 TYR 206 HD2 -0.29 0.13 -0.08 -0.04 7.15 6.86 5bj4A1 TYR 206 HE2 -0.57 0.01 -0.10 -0.04 6.85 6.14 5bj4A1 GLU 207 H -0.32 0.43 -0.27 -0.55 8.60 7.89 5bj4A1 GLU 207 HA -0.56 0.08 0.31 -0.75 4.29 3.37 5bj4A1 GLU 207 HB2 -1.08 0.01 0.03 -0.04 2.09 1.01 5bj4A1 GLU 207 HB3 -0.92 0.14 0.16 -0.04 1.99 1.33 5bj4A1 GLU 207 HG2 -0.47 -0.01 0.03 -0.04 2.34 1.84 5bj4A1 GLU 207 HG3 -1.12 0.00 -0.17 -0.04 2.34 1.01 5bj4A1 HIS 208 H -0.26 0.05 -0.34 -0.55 8.41 7.32 5bj4A1 HIS 208 HA -0.10 0.19 0.65 -0.75 4.63 4.61 5bj4A1 HIS 208 HB2 -0.16 -0.05 0.01 -0.04 3.26 3.02 5bj4A1 HIS 208 HB3 -0.09 0.03 0.13 -0.04 3.20 3.22 5bj4A1 HIS 208 HD2 -0.05 0.06 -0.01 -0.04 6.97 6.92 5bj4A1 HIS 208 HE1 -0.04 -0.02 -0.05 -0.04 7.75 7.60 5bj4A1 LEU 209 H -0.08 0.50 -0.40 -0.55 8.37 7.85 5bj4A1 LEU 209 HA 0.01 0.16 0.73 -0.75 4.35 4.49 5bj4A1 LEU 209 HB2 -0.05 -0.04 0.28 -0.04 1.64 1.79 5bj4A1 LEU 209 HB3 -0.06 0.08 0.08 -0.04 1.64 1.71 5bj4A1 LEU 209 HG 0.16 -0.11 -0.05 -0.04 1.64 1.60 5bj4A1 LEU 209 HD13 0.11 0.02 -0.12 -0.04 0.93 0.90 5bj4A1 LEU 209 HD23 0.09 0.01 -0.33 -0.04 0.89 0.63 5bj4A1 LEU 210 H -0.22 0.34 -0.26 -0.55 8.37 7.68 5bj4A1 LEU 210 HA -0.45 0.19 0.98 -0.75 4.35 4.31 5bj4A1 LEU 210 HB2 -0.14 0.08 -0.19 -0.04 1.64 1.36 5bj4A1 LEU 210 HB3 -0.10 -0.01 0.00 -0.04 1.64 1.50 5bj4A1 LEU 210 HG -0.05 -0.02 -0.42 -0.04 1.64 1.12 5bj4A1 LEU 210 HD13 -0.04 0.03 -0.15 -0.04 0.93 0.73 5bj4A1 LEU 210 HD23 0.02 -0.03 -0.28 -0.04 0.89 0.57 5bj4A1 TYR 211 H -0.36 0.80 0.31 -0.55 8.29 8.49 5bj4A1 TYR 211 HA 0.05 0.13 0.84 -0.75 4.56 4.83 5bj4A1 TYR 211 HB2 0.05 0.06 0.04 -0.04 3.06 3.17 5bj4A1 TYR 211 HB3 0.05 -0.06 0.07 -0.04 2.98 3.01 5bj4A1 TYR 211 HD2 0.09 0.05 -0.25 -0.04 7.15 6.99 5bj4A1 TYR 211 HE2 0.18 0.10 -0.18 -0.04 6.85 6.90 5bj4A1 GLU 212 H 0.04 0.29 0.18 -0.55 8.60 8.57 5bj4A1 GLU 212 HA 0.06 0.08 0.40 -0.75 4.29 4.08 5bj4A1 GLU 212 HB2 0.05 -0.06 0.10 -0.04 2.09 2.14 5bj4A1 GLU 212 HB3 0.08 0.16 0.17 -0.04 1.99 2.36 5bj4A1 GLU 212 HG2 0.08 -0.02 0.06 -0.04 2.34 2.41 5bj4A1 GLU 212 HG3 0.06 -0.02 -0.02 -0.04 2.34 2.32 5bj4A1 GLY 213 H 0.04 0.17 0.15 -0.55 8.43 8.24 5bj4A1 GLY 213 HA2 0.03 -0.01 0.30 -0.51 4.01 3.82 5bj4A1 GLY 213 HA3 0.04 0.18 0.79 -0.51 4.01 4.51 5bj4A1 GLU 214 H 0.05 0.22 0.16 -0.55 8.60 8.48 5bj4A1 GLU 214 HA 0.06 0.19 0.70 -0.75 4.29 4.49 5bj4A1 GLU 214 HB2 0.05 -0.09 -0.02 -0.04 2.09 1.98 5bj4A1 GLU 214 HB3 0.08 0.10 0.01 -0.04 1.99 2.13 5bj4A1 GLU 214 HG2 0.04 0.30 -0.09 -0.04 2.34 2.56 5bj4A1 GLU 214 HG3 0.04 -0.09 -0.19 -0.04 2.34 2.05 5bj4A1 HIS 215 H 0.14 0.19 0.10 -0.55 8.41 8.30 5bj4A1 HIS 215 HA 0.03 0.09 0.69 -0.75 4.63 4.69 5bj4A1 HIS 215 HB2 -0.05 0.10 0.10 -0.04 3.26 3.37 5bj4A1 HIS 215 HB3 -0.02 0.02 0.14 -0.04 3.20 3.29 5bj4A1 HIS 215 HD2 -0.05 0.01 -0.16 -0.04 6.97 6.72 5bj4A1 HIS 215 HE1 -0.06 0.30 0.17 -0.04 7.75 8.11 5bj4A1 PHE 216 H -0.16 0.23 0.17 -0.55 8.34 8.03 5bj4A1 PHE 216 HA -0.11 0.23 0.94 -0.75 4.62 4.92 5bj4A1 PHE 216 HB2 -0.05 -0.02 -0.06 -0.04 3.15 2.98 5bj4A1 PHE 216 HB3 -0.08 -0.01 0.05 -0.04 3.06 2.98 5bj4A1 PHE 216 HD2 -0.03 0.01 -0.10 -0.04 7.28 7.13 5bj4A1 PHE 216 HE2 -0.01 0.00 -0.13 -0.04 7.38 7.20 5bj4A1 PHE 216 HZ -0.01 -0.00 -0.10 -0.04 7.32 7.16 5bj4A1 SER 217 H -0.65 0.29 0.09 -0.55 8.46 7.65 5bj4A1 SER 217 HA -0.34 0.20 0.79 -0.75 4.49 4.39 5bj4A1 SER 217 HB2 -0.26 0.19 0.19 -0.04 3.95 4.02 5bj4A1 SER 217 HB3 -0.16 -0.10 0.03 -0.04 3.93 3.65 5bj4A1 PRO 218 HA -0.20 0.06 0.34 -0.51 4.44 4.14 5bj4A1 PRO 218 HB2 0.02 0.05 0.00 -0.04 2.28 2.30 5bj4A1 PRO 218 HB3 0.08 0.07 -0.00 -0.04 2.02 2.12 5bj4A1 PRO 218 HG2 -0.04 0.03 -0.04 -0.04 2.03 1.93 5bj4A1 PRO 218 HG3 0.02 0.06 -0.01 -0.04 2.03 2.06 5bj4A1 PRO 218 HD2 -0.15 0.10 0.25 -0.04 3.68 3.84 5bj4A1 PRO 218 HD3 -0.11 0.24 0.08 -0.04 3.65 3.82 5bj4A1 GLY 219 H -0.18 0.11 -0.65 -0.55 8.43 7.17 5bj4A1 GLY 219 HA2 -0.05 0.12 0.20 -0.51 4.01 3.77 5bj4A1 GLY 219 HA3 -0.09 0.06 0.13 -0.51 4.01 3.60 5bj4A1 ARG 220 H -0.22 0.36 -0.44 -0.55 8.46 7.61 5bj4A1 ARG 220 HA -0.04 0.10 0.49 -0.75 4.34 4.14 5bj4A1 ARG 220 HB2 -0.08 -0.07 -0.01 -0.04 1.90 1.70 5bj4A1 ARG 220 HB3 0.01 -0.00 0.03 -0.04 1.80 1.80 5bj4A1 ARG 220 HG2 -0.12 -0.02 -0.10 -0.04 1.67 1.38 5bj4A1 ARG 220 HG3 -0.43 0.39 0.19 -0.04 1.67 1.77 5bj4A1 ARG 220 HD2 -0.08 0.18 0.09 -0.04 3.22 3.37 5bj4A1 ARG 220 HD3 0.04 -0.13 0.02 -0.04 3.22 3.12 5bj4A1 VAL 221 H 0.00 0.22 -0.20 -0.55 8.24 7.71 5bj4A1 VAL 221 HA 0.04 0.19 0.85 -0.75 4.13 4.46 5bj4A1 VAL 221 HB 0.10 -0.01 0.05 -0.04 2.12 2.22 5bj4A1 VAL 221 HG13 0.17 0.02 0.04 -0.04 0.97 1.16 5bj4A1 VAL 221 HG23 0.02 -0.00 -0.08 -0.04 0.95 0.85 5bj4A1 ALA 222 H -0.00 0.18 -0.26 -0.55 8.40 7.78 5bj4A1 ALA 222 HA 0.02 0.17 0.73 -0.75 4.34 4.51 5bj4A1 ALA 222 HB3 -0.03 0.01 -0.01 -0.04 1.41 1.34 5bj4A1 PRO 223 HA -0.01 0.11 0.51 -0.51 4.44 4.54 5bj4A1 PRO 223 HB2 -0.00 -0.01 0.03 -0.04 2.28 2.25 5bj4A1 PRO 223 HB3 -0.01 0.10 0.16 -0.04 2.02 2.24 5bj4A1 PRO 223 HG2 0.02 -0.09 0.07 -0.04 2.03 1.99 5bj4A1 PRO 223 HG3 0.01 0.07 0.04 -0.04 2.03 2.11 5bj4A1 PRO 223 HD2 0.02 0.18 -0.21 -0.04 3.68 3.64 5bj4A1 PRO 223 HD3 0.01 0.24 -0.28 -0.04 3.65 3.58 5bj4A1 GLU 224 H 0.06 0.14 -0.16 -0.55 8.60 8.10 5bj4A1 GLU 224 HA -0.01 0.09 0.60 -0.75 4.29 4.23 5bj4A1 GLU 224 HB2 0.02 0.00 0.07 -0.04 2.09 2.14 5bj4A1 GLU 224 HB3 -0.12 0.06 0.07 -0.04 1.99 1.96 5bj4A1 GLU 224 HG2 -0.03 0.01 0.04 -0.04 2.34 2.33 5bj4A1 GLU 224 HG3 -0.02 -0.04 0.07 -0.04 2.34 2.31 5bj4A1 HIS 225 H 0.15 0.34 -0.34 -0.55 8.41 8.01 5bj4A1 HIS 225 HA 0.03 0.23 0.94 -0.75 4.63 5.07 5bj4A1 HIS 225 HB2 -0.04 -0.02 0.07 -0.04 3.26 3.23 5bj4A1 HIS 225 HB3 -0.05 0.05 0.13 -0.04 3.20 3.29 5bj4A1 HIS 225 HD2 -0.22 0.27 -0.00 -0.04 6.97 6.97 5bj4A1 HIS 225 HE1 -0.07 -0.03 -0.01 -0.04 7.75 7.59 5bj4A1 THR 226 H 0.08 0.23 0.01 -0.55 8.28 8.04 5bj4A1 THR 226 HA 0.10 0.33 1.21 -0.75 4.39 5.27 5bj4A1 THR 226 HB -0.01 -0.04 0.04 -0.04 4.32 4.26 5bj4A1 THR 226 HG23 -0.01 -0.04 -0.27 -0.04 1.22 0.86 5bj4A1 LEU 227 H 0.01 0.66 0.40 -0.55 8.37 8.90 5bj4A1 LEU 227 HA -0.09 0.28 1.00 -0.75 4.35 4.79 5bj4A1 LEU 227 HB2 -0.09 -0.07 0.19 -0.04 1.64 1.63 5bj4A1 LEU 227 HB3 -0.12 -0.03 -0.02 -0.04 1.64 1.43 5bj4A1 LEU 227 HG -0.06 -0.00 -0.34 -0.04 1.64 1.20 5bj4A1 LEU 227 HD13 -0.33 0.00 -0.12 -0.04 0.93 0.45 5bj4A1 LEU 227 HD23 -0.15 0.00 -0.12 -0.04 0.89 0.58 5bj4A1 THR 228 H -0.15 0.63 0.28 -0.55 8.28 8.49 5bj4A1 THR 228 HA -0.05 0.17 1.02 -0.75 4.39 4.77 5bj4A1 THR 228 HB -0.35 -0.05 0.15 -0.04 4.32 4.04 5bj4A1 THR 228 HG23 0.02 -0.00 -0.09 -0.04 1.22 1.11 5bj4A1 VAL 229 H -0.01 0.72 0.38 -0.55 8.24 8.78 5bj4A1 VAL 229 HA 0.02 0.20 1.04 -0.75 4.13 4.63 5bj4A1 VAL 229 HB -0.00 -0.06 0.11 -0.04 2.12 2.13 5bj4A1 VAL 229 HG13 -0.01 -0.02 -0.03 -0.04 0.97 0.87 5bj4A1 VAL 229 HG23 -0.05 0.02 -0.22 -0.04 0.95 0.67 5bj4A1 ASN 230 H 0.04 0.86 0.46 -0.55 8.53 9.35 5bj4A1 ASN 230 HA -0.09 -0.01 0.51 -0.75 4.76 4.42 5bj4A1 ASN 230 HB2 0.29 0.06 -0.34 -0.04 2.88 2.85 5bj4A1 ASN 230 HB3 0.26 0.01 -0.06 -0.04 2.79 2.97 5bj4A1 ASN 230 HD21 -0.07 0.06 -0.02 -0.04 7.03 6.95 5bj4A1 ASN 230 HD22 0.18 0.01 -0.11 -0.04 7.74 7.78 5bj4A1 GLY 231 H -0.28 0.38 0.22 -0.55 8.43 8.20 5bj4A1 GLY 231 HA2 -1.42 0.09 0.41 -0.51 4.01 2.58 5bj4A1 GLY 231 HA3 -0.42 -0.05 0.57 -0.51 4.01 3.61 5bj4A1 ALA 232 H -0.17 0.50 0.25 -0.55 8.40 8.43 5bj4A1 ALA 232 HA 0.25 0.18 0.62 -0.75 4.34 4.64 5bj4A1 ALA 232 HB3 0.18 0.04 0.05 -0.04 1.41 1.64 5bj4A1 ALA 233 H -0.06 0.09 -0.10 -0.55 8.40 7.78 5bj4A1 ALA 233 HA 0.06 -0.07 -0.06 -0.75 4.34 3.51 5bj4A1 ALA 233 HB3 -0.02 0.02 0.02 -0.04 1.41 1.39 5bj4A1 LYS 234 H -0.14 0.13 -0.10 -0.55 8.42 7.75 5bj4A1 LYS 234 HA 0.11 0.14 0.67 -0.75 4.32 4.49 5bj4A1 LYS 234 HB2 -0.32 0.18 0.00 -0.04 1.87 1.68 5bj4A1 LYS 234 HB3 -0.02 0.05 -0.00 -0.04 1.79 1.78 5bj4A1 LYS 234 HG2 -0.29 -0.18 -0.03 -0.04 1.46 0.93 5bj4A1 LYS 234 HG3 -0.93 0.03 -0.11 -0.04 1.46 0.41 5bj4A1 LYS 234 HD2 0.18 0.06 -0.08 -0.04 1.69 1.81 5bj4A1 LYS 234 HD3 0.13 -0.05 -0.11 -0.04 1.68 1.62 5bj4A1 LYS 234 HE2 0.17 0.47 0.10 -0.04 2.99 3.69 5bj4A1 LYS 234 HE3 0.04 -0.14 -0.02 -0.04 2.99 2.83 5bj4A1 ALA 235 H -0.16 0.09 -0.10 -0.55 8.40 7.68 5bj4A1 ALA 235 HA -0.07 0.13 0.42 -0.75 4.34 4.07 5bj4A1 ALA 235 HB3 -0.54 0.01 0.07 -0.04 1.41 0.92 5bj4A1 PHE 236 H -0.06 0.43 -0.16 -0.55 8.34 8.00 5bj4A1 PHE 236 HA 0.05 0.25 0.90 -0.75 4.62 5.08 5bj4A1 PHE 236 HB2 -0.17 -0.00 0.01 -0.04 3.15 2.95 5bj4A1 PHE 236 HB3 -0.29 -0.04 0.14 -0.04 3.06 2.83 5bj4A1 PHE 236 HD2 -0.02 -0.02 0.02 -0.04 7.28 7.21 5bj4A1 PHE 236 HE2 -0.01 0.01 -0.08 -0.04 7.38 7.26 5bj4A1 PHE 236 HZ -0.07 0.05 -0.10 -0.04 7.32 7.15 5bj4A1 ALA 237 H 0.21 0.22 -0.40 -0.55 8.40 7.89 5bj4A1 ALA 237 HA 0.21 0.05 0.35 -0.75 4.34 4.19 5bj4A1 ALA 237 HB3 0.28 0.08 -0.24 -0.04 1.41 1.49 5bj4A1 MET 238 H 0.11 0.43 -0.05 -0.55 8.47 8.41 5bj4A1 MET 238 HA 0.27 0.21 0.77 -0.75 4.52 5.02 5bj4A1 MET 238 HB2 -0.02 -0.02 -0.33 -0.04 2.15 1.73 5bj4A1 MET 238 HB3 -0.19 -0.12 0.07 -0.04 2.03 1.75 5bj4A1 MET 238 HG2 -0.88 -0.00 -0.06 -0.04 2.63 1.65 5bj4A1 MET 238 HG3 -0.20 0.39 -0.51 -0.04 2.56 2.20 5bj4A1 MET 238 HE3 -1.01 -0.02 -0.10 -0.04 2.10 0.93 5bj4A1 THR 239 H 0.18 0.30 -0.03 -0.55 8.28 8.17 5bj4A1 THR 239 HA 0.12 -0.07 0.41 -0.75 4.39 4.10 5bj4A1 THR 239 HB 0.12 0.04 -0.01 -0.04 4.32 4.43 5bj4A1 THR 239 HG23 0.13 0.03 0.03 -0.04 1.22 1.37 5bj4A1 GLY 240 H 0.21 0.15 -0.20 -0.55 8.43 8.05 5bj4A1 GLY 240 HA2 0.07 0.13 0.42 -0.51 4.01 4.12 5bj4A1 GLY 240 HA3 0.04 0.07 0.25 -0.51 4.01 3.85 5bj4A1 TRP 241 H 0.49 0.26 -0.50 -0.55 7.97 7.67 5bj4A1 TRP 241 HA 0.02 0.14 0.54 -0.75 4.62 4.56 5bj4A1 TRP 241 HB2 0.02 0.08 0.02 -0.04 3.23 3.31 5bj4A1 TRP 241 HB3 0.02 -0.03 -0.01 -0.04 3.23 3.17 5bj4A1 TRP 241 HD1 0.02 -0.17 -0.08 -0.04 7.22 6.95 5bj4A1 TRP 241 HE1 -0.00 0.05 0.02 -0.04 10.20 10.22 5bj4A1 TRP 241 HE3 0.01 -0.06 -0.00 -0.04 7.59 7.50 5bj4A1 TRP 241 HZ2 -0.03 0.01 -0.07 -0.04 7.44 7.31 5bj4A1 TRP 241 HZ3 0.01 -0.01 -0.10 -0.04 7.13 6.99 5bj4A1 TRP 241 HH2 -0.02 0.01 -0.06 -0.04 7.19 7.08 5bj4A1 ARG 242 H 0.20 0.23 -0.23 -0.55 8.46 8.10 5bj4A1 ARG 242 HA 0.09 -0.06 0.29 -0.75 4.34 3.91 5bj4A1 ARG 242 HB2 0.08 0.13 0.08 -0.04 1.90 2.14 5bj4A1 ARG 242 HB3 0.06 -0.08 -0.01 -0.04 1.80 1.73 5bj4A1 ARG 242 HG2 0.06 0.14 -0.45 -0.04 1.67 1.38 5bj4A1 ARG 242 HG3 0.03 0.02 -0.10 -0.04 1.67 1.59 5bj4A1 ARG 242 HD2 0.08 0.23 0.06 -0.04 3.22 3.55 5bj4A1 ARG 242 HD3 0.05 0.02 -0.03 -0.04 3.22 3.21 5bj4A1 ILE 243 H 0.09 0.12 0.02 -0.55 8.25 7.93 5bj4A1 ILE 243 HA 0.07 0.44 1.05 -0.75 4.18 4.99 5bj4A1 ILE 243 HB 0.08 -0.12 0.06 -0.04 1.89 1.86 5bj4A1 ILE 243 HG12 0.17 0.10 -0.56 -0.04 1.49 1.16 5bj4A1 ILE 243 HG13 0.11 0.05 -0.27 -0.04 1.21 1.07 5bj4A1 ILE 243 HG23 0.14 -0.00 -0.13 -0.04 0.93 0.90 5bj4A1 ILE 243 HD13 0.09 0.05 -0.02 -0.04 0.88 0.96 5bj4A1 GLY 244 H 0.02 0.74 0.19 -0.55 8.43 8.84 5bj4A1 GLY 244 HA2 -0.38 0.00 0.94 -0.51 4.01 4.06 5bj4A1 GLY 244 HA3 -0.11 0.01 -0.18 -0.51 4.01 3.22 5bj4A1 TYR 245 H -0.30 0.65 0.23 -0.55 8.29 8.32 5bj4A1 TYR 245 HA 0.06 0.29 0.63 -0.75 4.56 4.78 5bj4A1 TYR 245 HB2 0.18 0.07 -0.03 -0.04 3.06 3.24 5bj4A1 TYR 245 HB3 0.05 0.10 0.15 -0.04 2.98 3.24 5bj4A1 TYR 245 HD2 0.06 0.11 -0.34 -0.04 7.15 6.93 5bj4A1 TYR 245 HE2 -0.05 0.02 -0.18 -0.04 6.85 6.60 5bj4A1 ALA 246 H 0.19 0.56 0.37 -0.55 8.40 8.98 5bj4A1 ALA 246 HA 0.10 0.30 0.91 -0.75 4.34 4.89 5bj4A1 ALA 246 HB3 -0.01 -0.02 -0.05 -0.04 1.41 1.29 5bj4A1 CYS 247 H -0.22 0.51 0.39 -0.55 8.50 8.63 5bj4A1 CYS 247 HA -0.13 0.37 0.74 -0.75 4.58 4.81 5bj4A1 CYS 247 HB2 -0.28 0.08 0.15 -0.04 2.97 2.88 5bj4A1 CYS 247 HB3 -0.57 -0.05 -0.08 -0.04 2.97 2.23 5bj4A1 GLY 248 H -0.11 0.48 0.30 -0.55 8.43 8.56 5bj4A1 GLY 248 HA2 -0.09 0.15 0.41 -0.51 4.01 3.97 5bj4A1 GLY 248 HA3 -0.09 0.13 0.78 -0.51 4.01 4.32 5bj4A1 PRO 249 HA -0.02 -0.02 0.47 -0.51 4.44 4.36 5bj4A1 PRO 249 HB2 0.01 -0.12 0.11 -0.04 2.28 2.24 5bj4A1 PRO 249 HB3 0.01 0.04 0.13 -0.04 2.02 2.16 5bj4A1 PRO 249 HG2 0.10 0.17 -0.06 -0.04 2.03 2.19 5bj4A1 PRO 249 HG3 0.01 0.04 0.14 -0.04 2.03 2.19 5bj4A1 PRO 249 HD2 -0.03 0.04 0.04 -0.04 3.68 3.69 5bj4A1 PRO 249 HD3 -0.01 0.47 0.21 -0.04 3.65 4.28 5bj4A1 LYS 250 H -0.02 0.15 0.25 -0.55 8.42 8.25 5bj4A1 LYS 250 HA -0.02 0.15 0.45 -0.75 4.32 4.15 5bj4A1 LYS 250 HB2 -0.01 -0.00 0.20 -0.04 1.87 2.01 5bj4A1 LYS 250 HB3 -0.01 0.02 0.02 -0.04 1.79 1.77 5bj4A1 LYS 250 HG2 -0.01 0.01 -0.03 -0.04 1.46 1.39 5bj4A1 LYS 250 HG3 -0.01 0.15 -0.02 -0.04 1.46 1.54 5bj4A1 LYS 250 HD2 -0.01 -0.02 -0.02 -0.04 1.69 1.60 5bj4A1 LYS 250 HD3 -0.01 0.01 0.02 -0.04 1.68 1.66 5bj4A1 LYS 250 HE2 -0.01 0.03 -0.02 -0.04 2.99 2.95 5bj4A1 LYS 250 HE3 -0.01 -0.02 -0.09 -0.04 2.99 2.84 5bj4A1 GLU 251 H -0.01 0.10 -0.18 -0.55 8.60 7.96 5bj4A1 GLU 251 HA -0.01 0.07 0.41 -0.75 4.29 4.01 5bj4A1 GLU 251 HB2 0.00 0.06 0.04 -0.04 2.09 2.15 5bj4A1 GLU 251 HB3 -0.00 -0.03 0.07 -0.04 1.99 1.99 5bj4A1 GLU 251 HG2 0.01 0.07 -0.20 -0.04 2.34 2.18 5bj4A1 GLU 251 HG3 0.02 0.08 -0.06 -0.04 2.34 2.34 5bj4A1 VAL 252 H -0.03 0.26 -0.29 -0.55 8.24 7.63 5bj4A1 VAL 252 HA -0.07 0.16 0.52 -0.75 4.13 3.99 5bj4A1 VAL 252 HB -0.10 0.10 0.01 -0.04 2.12 2.09 5bj4A1 VAL 252 HG13 -0.22 0.00 -0.17 -0.04 0.97 0.55 5bj4A1 VAL 252 HG23 -0.11 0.01 -0.05 -0.04 0.95 0.75 5bj4A1 ILE 253 H -0.05 0.51 -0.16 -0.55 8.25 8.01 5bj4A1 ILE 253 HA -0.04 -0.00 0.19 -0.75 4.18 3.56 5bj4A1 ILE 253 HB -0.03 0.11 0.06 -0.04 1.89 1.99 5bj4A1 ILE 253 HG12 -0.05 0.18 -0.40 -0.04 1.49 1.18 5bj4A1 ILE 253 HG13 -0.05 0.05 -0.33 -0.04 1.21 0.85 5bj4A1 ILE 253 HG23 -0.01 -0.03 -0.38 -0.04 0.93 0.46 5bj4A1 ILE 253 HD13 -0.06 -0.04 -0.43 -0.04 0.88 0.30 5bj4A1 LYS 254 H -0.02 0.57 -0.19 -0.55 8.42 8.22 5bj4A1 LYS 254 HA -0.01 0.01 0.40 -0.75 4.32 3.96 5bj4A1 LYS 254 HB2 -0.01 -0.01 0.09 -0.04 1.87 1.90 5bj4A1 LYS 254 HB3 -0.01 0.08 0.14 -0.04 1.79 1.96 5bj4A1 LYS 254 HG2 -0.01 0.03 -0.31 -0.04 1.46 1.13 5bj4A1 LYS 254 HG3 -0.01 -0.06 -0.00 -0.04 1.46 1.35 5bj4A1 LYS 254 HD2 -0.01 -0.02 -0.04 -0.04 1.69 1.58 5bj4A1 LYS 254 HD3 -0.01 -0.05 -0.03 -0.04 1.68 1.56 5bj4A1 LYS 254 HE2 -0.00 -0.06 0.00 -0.04 2.99 2.89 5bj4A1 LYS 254 HE3 -0.01 -0.08 0.08 -0.04 2.99 2.94 5bj4A1 ALA 255 H -0.03 0.35 -0.42 -0.55 8.40 7.75 5bj4A1 ALA 255 HA -0.01 0.01 0.44 -0.75 4.34 4.03 5bj4A1 ALA 255 HB3 -0.03 0.06 0.12 -0.04 1.41 1.52 5bj4A1 MET 256 H -0.04 0.52 -0.22 -0.55 8.47 8.18 5bj4A1 MET 256 HA -0.02 0.08 0.36 -0.75 4.52 4.18 5bj4A1 MET 256 HB2 -0.03 0.15 0.05 -0.04 2.15 2.28 5bj4A1 MET 256 HB3 -0.01 -0.10 -0.13 -0.04 2.03 1.74 5bj4A1 MET 256 HG2 -0.07 -0.05 -0.37 -0.04 2.63 2.09 5bj4A1 MET 256 HG3 -0.08 0.18 -0.11 -0.04 2.56 2.51 5bj4A1 MET 256 HE3 -0.04 0.00 -0.13 -0.04 2.10 1.90 5bj4A1 ALA 257 H -0.01 0.51 -0.24 -0.55 8.40 8.12 5bj4A1 ALA 257 HA 0.01 0.06 0.36 -0.75 4.34 4.02 5bj4A1 ALA 257 HB3 0.00 0.03 0.02 -0.04 1.41 1.42 5bj4A1 SER 258 H -0.00 0.37 -0.40 -0.55 8.46 7.88 5bj4A1 SER 258 HA 0.00 -0.00 0.48 -0.75 4.49 4.21 5bj4A1 SER 258 HB2 -0.00 0.23 0.14 -0.04 3.95 4.28 5bj4A1 SER 258 HB3 0.00 -0.05 0.02 -0.04 3.93 3.86 5bj4A1 VAL 259 H 0.01 0.39 -0.27 -0.55 8.24 7.82 5bj4A1 VAL 259 HA 0.03 0.06 0.41 -0.75 4.13 3.88 5bj4A1 VAL 259 HB 0.04 0.12 0.14 -0.04 2.12 2.37 5bj4A1 VAL 259 HG13 0.09 -0.03 -0.10 -0.04 0.97 0.89 5bj4A1 VAL 259 HG23 -0.00 0.10 0.01 -0.04 0.95 1.01 5bj4A1 SER 260 H 0.03 0.44 -0.22 -0.55 8.46 8.17 5bj4A1 SER 260 HA 0.06 -0.10 0.36 -0.75 4.49 4.05 5bj4A1 SER 260 HB2 0.02 0.18 0.16 -0.04 3.95 4.27 5bj4A1 SER 260 HB3 0.03 0.00 -0.10 -0.04 3.93 3.83 5bj4A1 ARG 261 H 0.01 0.52 -0.19 -0.55 8.46 8.26 5bj4A1 ARG 261 HA -0.01 0.06 0.45 -0.75 4.34 4.09 5bj4A1 ARG 261 HB2 -0.00 0.05 0.19 -0.04 1.90 2.09 5bj4A1 ARG 261 HB3 -0.00 0.14 0.14 -0.04 1.80 2.04 5bj4A1 ARG 261 HG2 -0.02 -0.00 -0.07 -0.04 1.67 1.53 5bj4A1 ARG 261 HG3 -0.03 -0.03 0.12 -0.04 1.67 1.69 5bj4A1 ARG 261 HD2 -0.02 -0.05 0.02 -0.04 3.22 3.12 5bj4A1 ARG 261 HD3 -0.01 -0.03 0.04 -0.04 3.22 3.17 5bj4A1 GLN 262 H 0.02 0.36 -0.41 -0.55 8.47 7.90 5bj4A1 GLN 262 HA 0.01 0.14 0.78 -0.75 4.36 4.53 5bj4A1 GLN 262 HB2 0.03 0.08 0.08 -0.04 2.15 2.31 5bj4A1 GLN 262 HB3 0.02 -0.05 0.18 -0.04 2.02 2.13 5bj4A1 GLN 262 HG2 0.01 0.10 -0.01 -0.04 2.40 2.45 5bj4A1 GLN 262 HG3 0.01 -0.04 0.01 -0.04 2.39 2.33 5bj4A1 GLN 262 HE21 -0.01 -0.03 -0.05 -0.04 6.97 6.83 5bj4A1 GLN 262 HE22 -0.00 -0.01 -0.05 -0.04 7.69 7.59 5bj4A1 SER 263 H 0.03 0.29 -0.40 -0.55 8.46 7.83 5bj4A1 SER 263 HA 0.04 0.18 0.95 -0.75 4.49 4.91 5bj4A1 SER 263 HB2 0.06 -0.08 0.02 -0.04 3.95 3.90 5bj4A1 SER 263 HB3 0.10 0.05 -0.07 -0.04 3.93 3.97 5bj4A1 THR 264 H 0.04 0.24 0.22 -0.55 8.28 8.22 5bj4A1 THR 264 HA 0.03 0.20 0.80 -0.75 4.39 4.67 5bj4A1 THR 264 HB 0.04 -0.01 0.04 -0.04 4.32 4.34 5bj4A1 THR 264 HG23 0.01 -0.02 -0.05 -0.04 1.22 1.12 5bj4A1 THR 265 H 0.02 0.51 0.00 -0.55 8.28 8.26 5bj4A1 THR 265 HA -0.01 0.08 0.37 -0.75 4.39 4.08 5bj4A1 THR 265 HB 0.07 0.15 0.37 -0.04 4.32 4.87 5bj4A1 THR 265 HG23 -0.18 -0.02 -0.04 -0.04 1.22 0.94 5bj4A1 SER 266 H 0.07 0.66 -0.14 -0.55 8.46 8.50 5bj4A1 SER 266 HA 0.04 0.14 0.33 -0.75 4.49 4.25 5bj4A1 SER 266 HB2 0.05 0.16 -0.50 -0.04 3.95 3.62 5bj4A1 SER 266 HB3 0.10 -0.17 -0.18 -0.04 3.93 3.64 5bj4A1 PRO 267 HA 0.06 0.07 0.53 -0.51 4.44 4.59 5bj4A1 PRO 267 HB2 0.06 -0.03 -0.12 -0.04 2.28 2.15 5bj4A1 PRO 267 HB3 0.06 0.11 0.02 -0.04 2.02 2.17 5bj4A1 PRO 267 HG2 0.05 0.01 -0.42 -0.04 2.03 1.63 5bj4A1 PRO 267 HG3 0.05 -0.11 -0.31 -0.04 2.03 1.62 5bj4A1 PRO 267 HD2 0.04 0.02 0.01 -0.04 3.68 3.71 5bj4A1 PRO 267 HD3 0.04 0.28 0.04 -0.04 3.65 3.97 5bj4A1 ASP 268 H 0.07 0.14 0.16 -0.55 8.40 8.23 5bj4A1 ASP 268 HA 0.07 0.08 0.42 -0.75 4.63 4.44 5bj4A1 ASP 268 HB2 0.05 0.12 0.17 -0.04 2.71 3.01 5bj4A1 ASP 268 HB3 0.09 0.06 0.20 -0.04 2.70 3.01 5bj4A1 THR 269 H 0.10 0.23 0.17 -0.55 8.28 8.22 5bj4A1 THR 269 HA 0.13 0.04 0.42 -0.75 4.39 4.23 5bj4A1 THR 269 HB 0.14 0.04 0.08 -0.04 4.32 4.54 5bj4A1 THR 269 HG23 0.36 -0.04 -0.12 -0.04 1.22 1.38 5bj4A1 ILE 270 H 0.14 0.13 -0.06 -0.55 8.25 7.91 5bj4A1 ILE 270 HA 0.25 0.11 0.46 -0.75 4.18 4.25 5bj4A1 ILE 270 HB 0.11 -0.03 0.07 -0.04 1.89 2.00 5bj4A1 ILE 270 HG12 0.04 0.02 -0.01 -0.04 1.49 1.50 5bj4A1 ILE 270 HG13 0.08 0.15 -0.01 -0.04 1.21 1.39 5bj4A1 ILE 270 HG23 0.16 0.01 -0.04 -0.04 0.93 1.02 5bj4A1 ILE 270 HD13 0.04 -0.02 0.05 -0.04 0.88 0.91 5bj4A1 ALA 271 H 0.20 0.15 -0.28 -0.55 8.40 7.93 5bj4A1 ALA 271 HA 0.51 0.01 0.38 -0.75 4.34 4.48 5bj4A1 ALA 271 HB3 0.30 0.05 0.04 -0.04 1.41 1.76 5bj4A1 GLN 272 H 0.12 0.42 -0.29 -0.55 8.47 8.18 5bj4A1 GLN 272 HA -0.03 0.03 0.43 -0.75 4.36 4.03 5bj4A1 GLN 272 HB2 -0.13 0.16 0.13 -0.04 2.15 2.26 5bj4A1 GLN 272 HB3 -0.24 -0.13 0.03 -0.04 2.02 1.64 5bj4A1 GLN 272 HG2 0.00 -0.06 -0.06 -0.04 2.40 2.24 5bj4A1 GLN 272 HG3 0.03 0.34 -0.20 -0.04 2.39 2.53 5bj4A1 GLN 272 HE21 0.02 -0.02 -0.06 -0.04 6.97 6.87 5bj4A1 GLN 272 HE22 0.04 0.48 -0.27 -0.04 7.69 7.90 5bj4A1 TRP 273 H 0.23 0.52 -0.13 -0.55 7.97 8.04 5bj4A1 TRP 273 HA -0.02 -0.00 0.48 -0.75 4.62 4.32 5bj4A1 TRP 273 HB2 0.03 0.15 0.18 -0.04 3.23 3.55 5bj4A1 TRP 273 HB3 -0.00 -0.01 0.03 -0.04 3.23 3.20 5bj4A1 TRP 273 HD1 0.03 0.30 0.02 -0.04 7.22 7.52 5bj4A1 TRP 273 HE1 0.02 0.02 0.00 -0.04 10.20 10.19 5bj4A1 TRP 273 HE3 -0.02 -0.02 0.03 -0.04 7.59 7.54 5bj4A1 TRP 273 HZ2 0.01 0.03 0.01 -0.04 7.44 7.44 5bj4A1 TRP 273 HZ3 -0.01 0.00 -0.01 -0.04 7.13 7.06 5bj4A1 TRP 273 HH2 -0.00 0.00 -0.00 -0.04 7.19 7.15 5bj4A1 ALA 274 H 0.18 0.47 -0.20 -0.55 8.40 8.30 5bj4A1 ALA 274 HA -0.03 0.01 0.36 -0.75 4.34 3.92 5bj4A1 ALA 274 HB3 -0.14 0.03 0.07 -0.04 1.41 1.33 5bj4A1 THR 275 H -0.08 0.49 -0.32 -0.55 8.28 7.82 5bj4A1 THR 275 HA -0.27 -0.01 0.38 -0.75 4.39 3.73 5bj4A1 THR 275 HB -0.08 0.15 0.09 -0.04 4.32 4.44 5bj4A1 THR 275 HG23 0.02 -0.03 -0.10 -0.04 1.22 1.07 5bj4A1 LEU 276 H -0.12 0.41 -0.32 -0.55 8.37 7.80 5bj4A1 LEU 276 HA -0.16 0.02 0.36 -0.75 4.35 3.82 5bj4A1 LEU 276 HB2 -0.23 0.01 0.08 -0.04 1.64 1.46 5bj4A1 LEU 276 HB3 -0.01 0.24 0.13 -0.04 1.64 1.96 5bj4A1 LEU 276 HG -0.02 -0.03 -0.22 -0.04 1.64 1.32 5bj4A1 LEU 276 HD13 -0.14 -0.03 -0.12 -0.04 0.93 0.60 5bj4A1 LEU 276 HD23 0.01 -0.01 -0.06 -0.04 0.89 0.79 5bj4A1 GLU 277 H -0.08 0.41 -0.32 -0.55 8.60 8.05 5bj4A1 GLU 277 HA -0.04 0.00 0.42 -0.75 4.29 3.91 5bj4A1 GLU 277 HB2 -0.02 0.03 0.11 -0.04 2.09 2.16 5bj4A1 GLU 277 HB3 -0.16 0.25 0.15 -0.04 1.99 2.18 5bj4A1 GLU 277 HG2 -0.08 0.19 -0.14 -0.04 2.34 2.26 5bj4A1 GLU 277 HG3 -0.02 -0.08 -0.33 -0.04 2.34 1.86 5bj4A1 ALA 278 H -0.32 0.36 -0.19 -0.55 8.40 7.71 5bj4A1 ALA 278 HA -0.37 -0.03 0.37 -0.75 4.34 3.56 5bj4A1 ALA 278 HB3 -0.95 0.03 0.08 -0.04 1.41 0.52 5bj4A1 LEU 279 H -0.23 0.35 -0.43 -0.55 8.37 7.51 5bj4A1 LEU 279 HA -0.13 0.09 0.47 -0.75 4.35 4.03 5bj4A1 LEU 279 HB2 -0.17 0.08 0.07 -0.04 1.64 1.58 5bj4A1 LEU 279 HB3 -0.16 -0.01 -0.05 -0.04 1.64 1.39 5bj4A1 LEU 279 HG -0.21 0.14 -0.07 -0.04 1.64 1.46 5bj4A1 LEU 279 HD13 -0.37 -0.02 -0.19 -0.04 0.93 0.31 5bj4A1 LEU 279 HD23 -0.10 -0.01 -0.14 -0.04 0.89 0.59 5bj4A1 THR 280 H -0.10 0.39 -0.06 -0.55 8.28 7.96 5bj4A1 THR 280 HA -0.05 0.18 0.82 -0.75 4.39 4.59 5bj4A1 THR 280 HB -0.03 -0.06 0.07 -0.04 4.32 4.26 5bj4A1 THR 280 HG23 -0.06 0.02 -0.01 -0.04 1.22 1.13 5bj4A1 ASN 281 H -0.04 0.65 -0.07 -0.55 8.53 8.52 5bj4A1 ASN 281 HA -0.03 0.10 0.72 -0.75 4.76 4.80 5bj4A1 ASN 281 HB2 0.03 0.04 0.12 -0.04 2.88 3.04 5bj4A1 ASN 281 HB3 0.08 0.09 0.21 -0.04 2.79 3.13 5bj4A1 ASN 281 HD21 -0.07 -0.00 0.03 -0.04 7.03 6.95 5bj4A1 ASN 281 HD22 0.05 0.07 0.03 -0.04 7.74 7.84 5bj4A1 GLN 282 H -0.03 0.51 -0.22 -0.55 8.47 8.17 5bj4A1 GLN 282 HA -0.02 0.13 0.28 -0.75 4.36 3.99 5bj4A1 GLN 282 HB2 -0.02 -0.04 0.08 -0.04 2.15 2.13 5bj4A1 GLN 282 HB3 -0.01 0.01 0.02 -0.04 2.02 2.00 5bj4A1 GLN 282 HG2 -0.01 0.03 0.02 -0.04 2.40 2.40 5bj4A1 GLN 282 HG3 -0.03 0.06 -0.10 -0.04 2.39 2.28 5bj4A1 GLN 282 HE21 -0.02 -0.05 0.07 -0.04 6.97 6.93 5bj4A1 GLN 282 HE22 -0.03 0.08 0.13 -0.04 7.69 7.83 5bj4A1 GLU 283 H -0.05 0.11 -0.17 -0.55 8.60 7.95 5bj4A1 GLU 283 HA -0.04 0.14 0.48 -0.75 4.29 4.12 5bj4A1 GLU 283 HB2 -0.04 0.04 0.04 -0.04 2.09 2.09 5bj4A1 GLU 283 HB3 -0.03 0.05 0.08 -0.04 1.99 2.05 5bj4A1 GLU 283 HG2 -0.07 -0.06 0.01 -0.04 2.34 2.18 5bj4A1 GLU 283 HG3 -0.04 0.06 0.01 -0.04 2.34 2.33 5bj4A1 ALA 284 H -0.16 0.15 -0.13 -0.55 8.40 7.71 5bj4A1 ALA 284 HA -0.18 0.10 0.52 -0.75 4.34 4.02 5bj4A1 ALA 284 HB3 -0.64 0.01 0.09 -0.04 1.41 0.83 5bj4A1 SER 285 H -0.15 0.57 -0.05 -0.55 8.46 8.28 5bj4A1 SER 285 HA 0.17 -0.01 0.48 -0.75 4.49 4.38 5bj4A1 SER 285 HB2 0.02 0.06 0.07 -0.04 3.95 4.06 5bj4A1 SER 285 HB3 0.19 -0.02 0.03 -0.04 3.93 4.09 5bj4A1 ARG 286 H -0.00 0.57 -0.13 -0.55 8.46 8.34 5bj4A1 ARG 286 HA 0.01 0.05 0.53 -0.75 4.34 4.18 5bj4A1 ARG 286 HB2 -0.00 0.10 0.16 -0.04 1.90 2.12 5bj4A1 ARG 286 HB3 -0.01 0.03 0.10 -0.04 1.80 1.89 5bj4A1 ARG 286 HG2 -0.01 -0.07 0.01 -0.04 1.67 1.56 5bj4A1 ARG 286 HG3 -0.01 0.01 0.09 -0.04 1.67 1.72 5bj4A1 ARG 286 HD2 0.01 0.02 0.01 -0.04 3.22 3.22 5bj4A1 ARG 286 HD3 -0.00 0.00 -0.00 -0.04 3.22 3.18 5bj4A1 ALA 287 H -0.01 0.34 -0.28 -0.55 8.40 7.89 5bj4A1 ALA 287 HA -0.02 0.03 0.43 -0.75 4.34 4.03 5bj4A1 ALA 287 HB3 -0.02 0.05 0.16 -0.04 1.41 1.56 5bj4A1 PHE 288 H 0.15 0.37 -0.26 -0.55 8.34 8.05 5bj4A1 PHE 288 HA -0.08 0.01 0.50 -0.75 4.62 4.30 5bj4A1 PHE 288 HB2 0.04 -0.06 0.16 -0.04 3.15 3.24 5bj4A1 PHE 288 HB3 0.09 0.16 0.22 -0.04 3.06 3.49 5bj4A1 PHE 288 HD2 0.02 0.03 0.00 -0.04 7.28 7.29 5bj4A1 PHE 288 HE2 -0.01 0.04 -0.07 -0.04 7.38 7.30 5bj4A1 PHE 288 HZ 0.04 -0.02 -0.18 -0.04 7.32 7.12 5bj4A1 VAL 289 H 0.12 0.52 0.02 -0.55 8.24 8.35 5bj4A1 VAL 289 HA -0.12 0.07 0.48 -0.75 4.13 3.80 5bj4A1 VAL 289 HB -0.04 0.03 0.25 -0.04 2.12 2.31 5bj4A1 VAL 289 HG13 -0.06 -0.00 -0.02 -0.04 0.97 0.85 5bj4A1 VAL 289 HG23 -0.11 0.04 0.10 -0.04 0.95 0.94 5bj4A1 GLU 290 H -0.06 0.67 -0.08 -0.55 8.60 8.58 5bj4A1 GLU 290 HA -0.04 0.06 0.47 -0.75 4.29 4.03 5bj4A1 GLU 290 HB2 -0.05 0.05 0.14 -0.04 2.09 2.19 5bj4A1 GLU 290 HB3 -0.03 -0.05 0.09 -0.04 1.99 1.96 5bj4A1 GLU 290 HG2 -0.02 0.32 0.15 -0.04 2.34 2.76 5bj4A1 GLU 290 HG3 -0.01 -0.07 0.03 -0.04 2.34 2.25 5bj4A1 MET 291 H -0.20 0.43 -0.23 -0.55 8.47 7.92 5bj4A1 MET 291 HA -0.16 -0.00 0.47 -0.75 4.52 4.08 5bj4A1 MET 291 HB2 -0.16 0.07 0.20 -0.04 2.15 2.22 5bj4A1 MET 291 HB3 -0.42 0.13 0.28 -0.04 2.03 1.98 5bj4A1 MET 291 HG2 -0.15 -0.05 0.07 -0.04 2.63 2.47 5bj4A1 MET 291 HG3 -0.15 -0.04 0.04 -0.04 2.56 2.36 5bj4A1 MET 291 HE3 -0.77 0.01 0.02 -0.04 2.10 1.31 5bj4A1 ALA 292 H -0.61 0.68 -0.00 -0.55 8.40 7.92 5bj4A1 ALA 292 HA -0.89 -0.04 0.50 -0.75 4.34 3.16 5bj4A1 ALA 292 HB3 -0.75 0.02 0.12 -0.04 1.41 0.76 5bj4A1 ARG 293 H -0.13 0.72 -0.01 -0.55 8.46 8.49 5bj4A1 ARG 293 HA 0.39 -0.02 0.44 -0.75 4.34 4.40 5bj4A1 ARG 293 HB2 0.09 0.13 0.21 -0.04 1.90 2.29 5bj4A1 ARG 293 HB3 0.04 0.03 0.22 -0.04 1.80 2.05 5bj4A1 ARG 293 HG2 0.21 -0.06 -0.20 -0.04 1.67 1.58 5bj4A1 ARG 293 HG3 0.28 -0.04 0.03 -0.04 1.67 1.89 5bj4A1 ARG 293 HD2 0.06 -0.08 0.05 -0.04 3.22 3.21 5bj4A1 ARG 293 HD3 0.09 0.03 0.06 -0.04 3.22 3.37 5bj4A1 GLU 294 H -0.06 0.50 -0.24 -0.55 8.60 8.25 5bj4A1 GLU 294 HA 0.02 0.03 0.46 -0.75 4.29 4.05 5bj4A1 GLU 294 HB2 -0.02 0.02 0.16 -0.04 2.09 2.20 5bj4A1 GLU 294 HB3 -0.07 0.17 0.24 -0.04 1.99 2.29 5bj4A1 GLU 294 HG2 -0.04 -0.02 -0.03 -0.04 2.34 2.21 5bj4A1 GLU 294 HG3 -0.02 -0.07 -0.17 -0.04 2.34 2.04 5bj4A1 ALA 295 H -0.13 0.48 -0.07 -0.55 8.40 8.13 5bj4A1 ALA 295 HA -0.02 -0.03 0.48 -0.75 4.34 4.02 5bj4A1 ALA 295 HB3 -0.01 0.01 0.16 -0.04 1.41 1.53 5bj4A1 TYR 296 H -0.13 0.66 -0.09 -0.55 8.29 8.18 5bj4A1 TYR 296 HA 0.18 0.02 0.42 -0.75 4.56 4.42 5bj4A1 TYR 296 HB2 0.26 0.12 0.10 -0.04 3.06 3.50 5bj4A1 TYR 296 HB3 0.30 0.02 -0.05 -0.04 2.98 3.21 5bj4A1 TYR 296 HD2 0.21 0.04 -0.08 -0.04 7.15 7.28 5bj4A1 TYR 296 HE2 0.05 -0.06 -0.03 -0.04 6.85 6.77 5bj4A1 ARG 297 H -0.01 0.57 -0.15 -0.55 8.46 8.32 5bj4A1 ARG 297 HA -0.53 0.03 0.42 -0.75 4.34 3.50 5bj4A1 ARG 297 HB2 -0.04 0.14 0.16 -0.04 1.90 2.13 5bj4A1 ARG 297 HB3 -0.04 0.09 0.18 -0.04 1.80 2.00 5bj4A1 ARG 297 HG2 -0.09 -0.08 -0.06 -0.04 1.67 1.40 5bj4A1 ARG 297 HG3 -0.05 0.02 0.06 -0.04 1.67 1.66 5bj4A1 ARG 297 HD2 -0.00 -0.04 -0.00 -0.04 3.22 3.14 5bj4A1 ARG 297 HD3 0.02 -0.02 0.02 -0.04 3.22 3.20 5bj4A1 ARG 298 H -0.05 0.51 -0.14 -0.55 8.46 8.23 5bj4A1 ARG 298 HA -0.06 -0.00 0.42 -0.75 4.34 3.95 5bj4A1 ARG 298 HB2 -0.02 0.21 0.26 -0.04 1.90 2.31 5bj4A1 ARG 298 HB3 -0.03 -0.09 -0.03 -0.04 1.80 1.61 5bj4A1 ARG 298 HG2 -0.02 -0.05 0.07 -0.04 1.67 1.62 5bj4A1 ARG 298 HG3 -0.02 0.13 0.08 -0.04 1.67 1.82 5bj4A1 ARG 298 HD2 -0.01 -0.01 0.06 -0.04 3.22 3.22 5bj4A1 ARG 298 HD3 -0.02 -0.06 0.02 -0.04 3.22 3.13 5bj4A1 ARG 299 H -0.02 0.60 -0.01 -0.55 8.46 8.48 5bj4A1 ARG 299 HA -0.05 -0.08 0.47 -0.75 4.34 3.92 5bj4A1 ARG 299 HB2 0.18 0.15 0.20 -0.04 1.90 2.39 5bj4A1 ARG 299 HB3 0.09 -0.05 0.09 -0.04 1.80 1.89 5bj4A1 ARG 299 HG2 0.03 -0.19 0.07 -0.04 1.67 1.54 5bj4A1 ARG 299 HG3 0.03 0.12 0.17 -0.04 1.67 1.95 5bj4A1 ARG 299 HD2 0.24 -0.02 -0.04 -0.04 3.22 3.35 5bj4A1 ARG 299 HD3 0.15 0.25 0.15 -0.04 3.22 3.73 5bj4A1 ARG 300 H -0.34 0.67 -0.18 -0.55 8.46 8.06 5bj4A1 ARG 300 HA -1.05 -0.01 0.38 -0.75 4.34 2.91 5bj4A1 ARG 300 HB2 -0.75 0.05 0.04 -0.04 1.90 1.20 5bj4A1 ARG 300 HB3 -0.38 0.09 0.16 -0.04 1.80 1.63 5bj4A1 ARG 300 HG2 -0.23 -0.09 -0.29 -0.04 1.67 1.01 5bj4A1 ARG 300 HG3 -0.32 -0.01 -0.05 -0.04 1.67 1.25 5bj4A1 ARG 300 HD2 0.01 0.13 -0.01 -0.04 3.22 3.31 5bj4A1 ARG 300 HD3 -0.04 -0.01 -0.09 -0.04 3.22 3.04 5bj4A1 ASP 301 H -0.19 0.61 -0.02 -0.55 8.40 8.24 5bj4A1 ASP 301 HA -0.09 0.01 0.39 -0.75 4.63 4.19 5bj4A1 ASP 301 HB2 -0.08 0.11 0.20 -0.04 2.71 2.89 5bj4A1 ASP 301 HB3 -0.05 -0.07 0.02 -0.04 2.70 2.56 5bj4A1 LEU 302 H -0.10 0.57 -0.15 -0.55 8.37 8.15 5bj4A1 LEU 302 HA -0.04 -0.02 0.39 -0.75 4.35 3.93 5bj4A1 LEU 302 HB2 -0.05 0.06 0.14 -0.04 1.64 1.76 5bj4A1 LEU 302 HB3 -0.06 0.14 0.19 -0.04 1.64 1.87 5bj4A1 LEU 302 HG -0.02 -0.03 0.01 -0.04 1.64 1.56 5bj4A1 LEU 302 HD13 -0.02 -0.02 0.03 -0.04 0.93 0.88 5bj4A1 LEU 302 HD23 -0.01 -0.01 -0.23 -0.04 0.89 0.60 5bj4A1 LEU 303 H -0.11 0.57 -0.19 -0.55 8.37 8.09 5bj4A1 LEU 303 HA 0.01 -0.03 0.32 -0.75 4.35 3.90 5bj4A1 LEU 303 HB2 -0.13 0.25 0.17 -0.04 1.64 1.89 5bj4A1 LEU 303 HB3 -0.09 0.07 -0.01 -0.04 1.64 1.57 5bj4A1 LEU 303 HG 0.07 -0.04 -0.05 -0.04 1.64 1.58 5bj4A1 LEU 303 HD13 0.13 -0.01 -0.19 -0.04 0.93 0.82 5bj4A1 LEU 303 HD23 0.14 -0.02 -0.06 -0.04 0.89 0.92 5bj4A1 LEU 304 H -0.08 0.68 -0.08 -0.55 8.37 8.34 5bj4A1 LEU 304 HA -0.01 0.01 0.43 -0.75 4.35 4.03 5bj4A1 LEU 304 HB2 -0.05 0.06 0.12 -0.04 1.64 1.74 5bj4A1 LEU 304 HB3 -0.02 -0.05 -0.01 -0.04 1.64 1.52 5bj4A1 LEU 304 HG -0.09 0.15 0.01 -0.04 1.64 1.67 5bj4A1 LEU 304 HD13 -0.03 -0.01 -0.06 -0.04 0.93 0.78 5bj4A1 LEU 304 HD23 0.01 -0.01 -0.09 -0.04 0.89 0.77 5bj4A1 GLU 305 H -0.03 0.69 -0.10 -0.55 8.60 8.62 5bj4A1 GLU 305 HA -0.01 -0.01 0.44 -0.75 4.29 3.97 5bj4A1 GLU 305 HB2 -0.02 0.21 0.23 -0.04 2.09 2.47 5bj4A1 GLU 305 HB3 -0.00 -0.04 -0.03 -0.04 1.99 1.88 5bj4A1 GLU 305 HG2 -0.01 -0.05 0.02 -0.04 2.34 2.27 5bj4A1 GLU 305 HG3 -0.01 -0.02 0.05 -0.04 2.34 2.31 5bj4A1 GLY 306 H 0.01 0.58 -0.08 -0.55 8.43 8.39 5bj4A1 GLY 306 HA2 0.03 -0.02 0.34 -0.51 4.01 3.85 5bj4A1 GLY 306 HA3 0.05 0.06 0.28 -0.51 4.01 3.88 5bj4A1 LEU 307 H 0.03 0.52 -0.19 -0.55 8.37 8.18 5bj4A1 LEU 307 HA 0.01 0.02 0.41 -0.75 4.35 4.04 5bj4A1 LEU 307 HB2 0.01 0.08 0.10 -0.04 1.64 1.78 5bj4A1 LEU 307 HB3 -0.02 0.02 -0.12 -0.04 1.64 1.47 5bj4A1 LEU 307 HG 0.06 0.23 -0.00 -0.04 1.64 1.89 5bj4A1 LEU 307 HD13 0.01 -0.03 -0.19 -0.04 0.93 0.69 5bj4A1 LEU 307 HD23 -0.06 -0.02 -0.09 -0.04 0.89 0.67 5bj4A1 THR 308 H 0.01 0.56 -0.08 -0.55 8.28 8.21 5bj4A1 THR 308 HA -0.00 0.06 0.45 -0.75 4.39 4.15 5bj4A1 THR 308 HB 0.00 0.19 0.27 -0.04 4.32 4.74 5bj4A1 THR 308 HG23 0.00 -0.03 -0.09 -0.04 1.22 1.06 5bj4A1 ALA 309 H 0.01 0.53 -0.19 -0.55 8.40 8.20 5bj4A1 ALA 309 HA 0.01 -0.02 0.35 -0.75 4.34 3.92 5bj4A1 ALA 309 HB3 0.01 0.02 0.07 -0.04 1.41 1.47 5bj4A1 LEU 310 H 0.01 0.33 -0.42 -0.55 8.37 7.75 5bj4A1 LEU 310 HA 0.02 0.06 0.60 -0.75 4.35 4.27 5bj4A1 LEU 310 HB2 -0.00 0.06 0.15 -0.04 1.64 1.80 5bj4A1 LEU 310 HB3 0.00 -0.04 0.06 -0.04 1.64 1.62 5bj4A1 LEU 310 HG 0.06 0.12 0.00 -0.04 1.64 1.78 5bj4A1 LEU 310 HD13 0.17 -0.01 -0.08 -0.04 0.93 0.97 5bj4A1 LEU 310 HD23 0.06 -0.00 -0.06 -0.04 0.89 0.85 5bj4A1 GLY 311 H -0.00 0.43 -0.40 -0.55 8.43 7.91 5bj4A1 GLY 311 HA2 -0.01 0.01 0.30 -0.51 4.01 3.80 5bj4A1 GLY 311 HA3 -0.01 0.04 0.55 -0.51 4.01 4.07 5bj4A1 LEU 312 H -0.03 0.47 -0.10 -0.55 8.37 8.17 5bj4A1 LEU 312 HA -0.05 0.08 0.71 -0.75 4.35 4.34 5bj4A1 LEU 312 HB2 -0.09 -0.02 0.02 -0.04 1.64 1.52 5bj4A1 LEU 312 HB3 -0.11 -0.01 -0.05 -0.04 1.64 1.43 5bj4A1 LEU 312 HG -0.08 0.09 -0.29 -0.04 1.64 1.33 5bj4A1 LEU 312 HD13 -0.26 -0.00 -0.08 -0.04 0.93 0.54 5bj4A1 LEU 312 HD23 -0.11 0.01 -0.06 -0.04 0.89 0.68 5bj4A1 LYS 313 H -0.04 0.15 0.18 -0.55 8.42 8.16 5bj4A1 LYS 313 HA 0.00 0.17 0.77 -0.75 4.32 4.51 5bj4A1 LYS 313 HB2 -0.02 -0.05 0.16 -0.04 1.87 1.92 5bj4A1 LYS 313 HB3 0.02 -0.03 -0.04 -0.04 1.79 1.69 5bj4A1 LYS 313 HG2 -0.00 0.04 -0.03 -0.04 1.46 1.42 5bj4A1 LYS 313 HG3 -0.01 0.10 -0.03 -0.04 1.46 1.47 5bj4A1 LYS 313 HD2 0.00 -0.05 -0.01 -0.04 1.69 1.59 5bj4A1 LYS 313 HD3 -0.00 -0.00 -0.01 -0.04 1.68 1.62 5bj4A1 LYS 313 HE2 -0.01 0.07 0.01 -0.04 2.99 3.01 5bj4A1 LYS 313 HE3 -0.02 -0.03 0.03 -0.04 2.99 2.93 5bj4A1 ALA 314 H 0.03 0.34 0.18 -0.55 8.40 8.41 5bj4A1 ALA 314 HA 0.12 0.13 0.70 -0.75 4.34 4.54 5bj4A1 ALA 314 HB3 0.05 0.02 -0.16 -0.04 1.41 1.28 5bj4A1 VAL 315 H 0.17 0.23 0.20 -0.55 8.24 8.29 5bj4A1 VAL 315 HA 0.07 0.05 0.71 -0.75 4.13 4.21 5bj4A1 VAL 315 HB 0.31 0.01 0.12 -0.04 2.12 2.52 5bj4A1 VAL 315 HG13 0.11 0.02 -0.12 -0.04 0.97 0.94 5bj4A1 VAL 315 HG23 -0.03 -0.02 0.04 -0.04 0.95 0.91 5bj4A1 ARG 316 H 0.06 0.08 0.17 -0.55 8.46 8.22 5bj4A1 ARG 316 HA 0.06 0.12 0.47 -0.75 4.34 4.24 5bj4A1 ARG 316 HB2 0.04 -0.01 0.12 -0.04 1.90 2.01 5bj4A1 ARG 316 HB3 0.05 -0.06 0.16 -0.04 1.80 1.90 5bj4A1 ARG 316 HG2 0.06 0.11 -0.25 -0.04 1.67 1.55 5bj4A1 ARG 316 HG3 0.03 0.02 -0.01 -0.04 1.67 1.67 5bj4A1 ARG 316 HD2 0.02 -0.02 -0.01 -0.04 3.22 3.16 5bj4A1 ARG 316 HD3 0.03 -0.05 0.01 -0.04 3.22 3.16 5bj4A1 PRO 317 HA 0.11 0.03 0.47 -0.51 4.44 4.53 5bj4A1 PRO 317 HB2 0.16 0.04 0.12 -0.04 2.28 2.56 5bj4A1 PRO 317 HB3 0.11 0.19 0.27 -0.04 2.02 2.54 5bj4A1 PRO 317 HG2 0.14 -0.07 0.07 -0.04 2.03 2.14 5bj4A1 PRO 317 HG3 0.20 0.08 0.08 -0.04 2.03 2.35 5bj4A1 PRO 317 HD2 0.06 -0.03 0.22 -0.04 3.68 3.90 5bj4A1 PRO 317 HD3 0.10 0.33 0.35 -0.04 3.65 4.38 5bj4A1 SER 318 H 0.09 0.39 0.31 -0.55 8.46 8.71 5bj4A1 SER 318 HA 0.19 0.16 0.92 -0.75 4.49 5.01 5bj4A1 SER 318 HB2 0.05 -0.05 0.13 -0.04 3.95 4.04 5bj4A1 SER 318 HB3 0.07 0.04 0.26 -0.04 3.93 4.26 5bj4A1 GLY 319 H 0.05 0.48 0.26 -0.55 8.43 8.67 5bj4A1 GLY 319 HA2 -0.39 0.15 0.74 -0.51 4.01 3.99 5bj4A1 GLY 319 HA3 -0.16 -0.06 0.36 -0.51 4.01 3.64 5bj4A1 ALA 320 H -0.27 0.59 0.28 -0.55 8.40 8.46 5bj4A1 ALA 320 HA -0.65 -0.04 0.29 -0.75 4.34 3.18 5bj4A1 ALA 320 HB3 -0.91 0.02 0.00 -0.04 1.41 0.47 5bj4A1 PHE 321 H -1.59 0.08 0.01 -0.55 8.34 6.29 5bj4A1 PHE 321 HA -1.09 0.30 0.62 -0.75 4.62 3.69 5bj4A1 PHE 321 HB2 -1.09 -0.13 0.00 -0.04 3.15 1.89 5bj4A1 PHE 321 HB3 -0.98 0.11 -0.13 -0.04 3.06 2.02 5bj4A1 PHE 321 HD2 -0.94 0.04 -0.14 -0.04 7.28 6.21 5bj4A1 PHE 321 HE2 -0.09 0.05 -0.18 -0.04 7.38 7.12 5bj4A1 PHE 321 HZ 0.05 -0.01 -0.47 -0.04 7.32 6.85 5bj4A1 TYR 322 H -0.32 0.30 -0.01 -0.55 8.29 7.71 5bj4A1 TYR 322 HA -0.06 0.33 1.11 -0.75 4.56 5.18 5bj4A1 TYR 322 HB2 -0.22 0.01 -0.14 -0.04 3.06 2.67 5bj4A1 TYR 322 HB3 -0.14 0.09 0.03 -0.04 2.98 2.92 5bj4A1 TYR 322 HD2 -0.27 0.12 -0.07 -0.04 7.15 6.89 5bj4A1 TYR 322 HE2 -0.26 0.13 -0.05 -0.04 6.85 6.62 5bj4A1 VAL 323 H 0.17 0.55 0.33 -0.55 8.24 8.73 5bj4A1 VAL 323 HA 0.12 0.25 0.82 -0.75 4.13 4.57 5bj4A1 VAL 323 HB 0.15 -0.09 0.01 -0.04 2.12 2.15 5bj4A1 VAL 323 HG13 0.08 0.03 -0.22 -0.04 0.97 0.82 5bj4A1 VAL 323 HG23 0.24 0.00 -0.27 -0.04 0.95 0.87 5bj4A1 LEU 324 H 0.04 0.28 0.17 -0.55 8.37 8.31 5bj4A1 LEU 324 HA -0.02 0.22 0.98 -0.75 4.35 4.77 5bj4A1 LEU 324 HB2 -0.09 0.02 0.18 -0.04 1.64 1.70 5bj4A1 LEU 324 HB3 -0.04 -0.03 -0.04 -0.04 1.64 1.49 5bj4A1 LEU 324 HG -0.32 0.14 -0.33 -0.04 1.64 1.09 5bj4A1 LEU 324 HD13 -0.71 -0.02 -0.13 -0.04 0.93 0.03 5bj4A1 LEU 324 HD23 -0.25 -0.00 -0.19 -0.04 0.89 0.41 5bj4A1 MET 325 H 0.06 0.63 0.29 -0.55 8.47 8.91 5bj4A1 MET 325 HA 0.08 0.22 1.00 -0.75 4.52 5.06 5bj4A1 MET 325 HB2 0.00 -0.02 -0.09 -0.04 2.15 2.00 5bj4A1 MET 325 HB3 -0.02 -0.07 0.04 -0.04 2.03 1.93 5bj4A1 MET 325 HG2 -0.09 0.19 -0.29 -0.04 2.63 2.40 5bj4A1 MET 325 HG3 -0.06 0.04 -0.12 -0.04 2.56 2.37 5bj4A1 MET 325 HE3 -0.21 -0.00 -0.16 -0.04 2.10 1.68 5bj4A1 ASP 326 H 0.01 0.75 0.37 -0.55 8.40 8.98 5bj4A1 ASP 326 HA -0.59 0.15 0.62 -0.75 4.63 4.06 5bj4A1 ASP 326 HB2 -0.03 -0.00 0.11 -0.04 2.71 2.74 5bj4A1 ASP 326 HB3 -0.07 -0.03 0.27 -0.04 2.70 2.82 5bj4A1 THR 327 H -0.22 0.54 0.25 -0.55 8.28 8.30 5bj4A1 THR 327 HA -0.09 0.28 0.85 -0.75 4.39 4.68 5bj4A1 THR 327 HB -0.03 -0.08 0.07 -0.04 4.32 4.23 5bj4A1 THR 327 HG23 -0.04 0.05 -0.19 -0.04 1.22 0.99 5bj4A1 SER 328 H -0.10 0.07 -0.16 -0.55 8.46 7.73 5bj4A1 SER 328 HA -0.04 0.10 0.36 -0.75 4.49 4.17 5bj4A1 SER 328 HB2 -0.05 0.05 0.08 -0.04 3.95 3.99 5bj4A1 SER 328 HB3 -0.03 0.02 0.00 -0.04 3.93 3.88 5bj4A1 PRO 329 HA -0.02 0.06 0.41 -0.51 4.44 4.38 5bj4A1 PRO 329 HB2 -0.03 0.11 -0.02 -0.04 2.28 2.30 5bj4A1 PRO 329 HB3 -0.03 0.00 0.08 -0.04 2.02 2.03 5bj4A1 PRO 329 HG2 -0.06 0.05 -0.06 -0.04 2.03 1.92 5bj4A1 PRO 329 HG3 -0.05 0.07 0.03 -0.04 2.03 2.04 5bj4A1 PRO 329 HD2 -0.06 -0.04 -0.13 -0.04 3.68 3.40 5bj4A1 PRO 329 HD3 -0.04 0.08 0.04 -0.04 3.65 3.69 5bj4A1 ILE 330 H -0.04 0.24 -0.57 -0.55 8.25 7.33 5bj4A1 ILE 330 HA -0.01 0.32 0.83 -0.75 4.18 4.56 5bj4A1 ILE 330 HB -0.03 -0.06 0.13 -0.04 1.89 1.89 5bj4A1 ILE 330 HG12 -0.04 0.20 -0.13 -0.04 1.49 1.48 5bj4A1 ILE 330 HG13 -0.07 -0.07 -0.10 -0.04 1.21 0.94 5bj4A1 ILE 330 HG23 0.01 -0.00 -0.06 -0.04 0.93 0.83 5bj4A1 ILE 330 HD13 -0.08 -0.03 -0.06 -0.04 0.88 0.67 5bj4A1 ALA 331 H -0.01 0.45 0.14 -0.55 8.40 8.43 5bj4A1 ALA 331 HA 0.00 0.22 0.62 -0.75 4.34 4.42 5bj4A1 ALA 331 HB3 0.01 -0.02 -0.11 -0.04 1.41 1.25 5bj4A1 PRO 332 HA 0.00 0.13 0.51 -0.51 4.44 4.58 5bj4A1 PRO 332 HB2 0.01 -0.10 0.12 -0.04 2.28 2.27 5bj4A1 PRO 332 HB3 0.00 0.03 0.11 -0.04 2.02 2.12 5bj4A1 PRO 332 HG2 0.00 0.03 0.10 -0.04 2.03 2.12 5bj4A1 PRO 332 HG3 0.00 0.10 0.08 -0.04 2.03 2.17 5bj4A1 PRO 332 HD2 0.01 0.01 0.22 -0.04 3.68 3.88 5bj4A1 PRO 332 HD3 0.00 0.25 0.17 -0.04 3.65 4.03 5bj4A1 ASP 333 H 0.02 0.10 -0.08 -0.55 8.40 7.89 5bj4A1 ASP 333 HA 0.03 0.27 0.84 -0.75 4.63 5.02 5bj4A1 ASP 333 HB2 0.06 -0.13 0.17 -0.04 2.71 2.77 5bj4A1 ASP 333 HB3 0.03 0.19 -0.07 -0.04 2.70 2.81 5bj4A1 GLU 334 H 0.08 0.12 0.21 -0.55 8.60 8.45 5bj4A1 GLU 334 HA 0.03 0.20 0.36 -0.75 4.29 4.13 5bj4A1 GLU 334 HB2 0.06 0.25 0.16 -0.04 2.09 2.51 5bj4A1 GLU 334 HB3 0.08 -0.14 0.23 -0.04 1.99 2.11 5bj4A1 GLU 334 HG2 0.09 0.05 -0.13 -0.04 2.34 2.30 5bj4A1 GLU 334 HG3 0.09 -0.03 0.14 -0.04 2.34 2.49 5bj4A1 VAL 335 H 0.06 0.07 -0.15 -0.55 8.24 7.67 5bj4A1 VAL 335 HA 0.05 0.16 0.62 -0.75 4.13 4.20 5bj4A1 VAL 335 HB 0.04 -0.01 0.07 -0.04 2.12 2.19 5bj4A1 VAL 335 HG13 0.04 0.04 -0.04 -0.04 0.97 0.97 5bj4A1 VAL 335 HG23 0.07 -0.00 0.05 -0.04 0.95 1.02 5bj4A1 ARG 336 H 0.03 0.03 -0.15 -0.55 8.46 7.82 5bj4A1 ARG 336 HA 0.02 0.11 0.43 -0.75 4.34 4.15 5bj4A1 ARG 336 HB2 0.02 0.01 0.14 -0.04 1.90 2.03 5bj4A1 ARG 336 HB3 0.02 0.11 0.07 -0.04 1.80 1.96 5bj4A1 ARG 336 HG2 0.02 -0.03 0.02 -0.04 1.67 1.64 5bj4A1 ARG 336 HG3 0.02 -0.08 0.07 -0.04 1.67 1.64 5bj4A1 ARG 336 HD2 0.01 0.07 0.06 -0.04 3.22 3.32 5bj4A1 ARG 336 HD3 0.01 0.03 0.03 -0.04 3.22 3.25 5bj4A1 ALA 337 H 0.02 0.38 -0.14 -0.55 8.40 8.12 5bj4A1 ALA 337 HA 0.02 0.14 0.32 -0.75 4.34 4.07 5bj4A1 ALA 337 HB3 0.00 0.03 0.01 -0.04 1.41 1.41 5bj4A1 ALA 338 H 0.04 0.28 -0.43 -0.55 8.40 7.73 5bj4A1 ALA 338 HA 0.05 0.06 0.40 -0.75 4.34 4.10 5bj4A1 ALA 338 HB3 0.05 0.03 0.10 -0.04 1.41 1.55 5bj4A1 GLU 339 H 0.03 0.34 -0.26 -0.55 8.60 8.17 5bj4A1 GLU 339 HA 0.03 0.04 0.53 -0.75 4.29 4.14 5bj4A1 GLU 339 HB2 0.03 0.08 0.21 -0.04 2.09 2.36 5bj4A1 GLU 339 HB3 0.02 -0.02 0.05 -0.04 1.99 2.00 5bj4A1 GLU 339 HG2 0.02 -0.02 0.04 -0.04 2.34 2.34 5bj4A1 GLU 339 HG3 0.03 0.09 0.07 -0.04 2.34 2.49 5bj4A1 ARG 340 H 0.03 0.54 -0.07 -0.55 8.46 8.40 5bj4A1 ARG 340 HA 0.03 0.01 0.37 -0.75 4.34 3.99 5bj4A1 ARG 340 HB2 0.03 0.07 0.15 -0.04 1.90 2.10 5bj4A1 ARG 340 HB3 0.03 0.04 -0.02 -0.04 1.80 1.81 5bj4A1 ARG 340 HG2 0.02 -0.06 0.05 -0.04 1.67 1.64 5bj4A1 ARG 340 HG3 0.02 0.02 0.03 -0.04 1.67 1.70 5bj4A1 ARG 340 HD2 0.01 -0.05 0.03 -0.04 3.22 3.17 5bj4A1 ARG 340 HD3 0.01 0.05 -0.04 -0.04 3.22 3.21 5bj4A1 LEU 341 H 0.05 0.50 -0.19 -0.55 8.37 8.19 5bj4A1 LEU 341 HA 0.10 0.04 0.36 -0.75 4.35 4.10 5bj4A1 LEU 341 HB2 0.09 0.04 0.15 -0.04 1.64 1.88 5bj4A1 LEU 341 HB3 0.15 0.03 -0.01 -0.04 1.64 1.78 5bj4A1 LEU 341 HG 0.07 0.13 0.04 -0.04 1.64 1.84 5bj4A1 LEU 341 HD13 0.10 -0.04 -0.14 -0.04 0.93 0.81 5bj4A1 LEU 341 HD23 0.27 -0.01 -0.06 -0.04 0.89 1.06 5bj4A1 LEU 342 H 0.05 0.39 -0.28 -0.55 8.37 7.98 5bj4A1 LEU 342 HA 0.04 0.04 0.30 -0.75 4.35 3.97 5bj4A1 LEU 342 HB2 0.03 0.15 0.25 -0.04 1.64 2.03 5bj4A1 LEU 342 HB3 0.03 -0.05 -0.06 -0.04 1.64 1.51 5bj4A1 LEU 342 HG 0.04 0.06 0.08 -0.04 1.64 1.78 5bj4A1 LEU 342 HD13 0.03 -0.03 0.01 -0.04 0.93 0.90 5bj4A1 LEU 342 HD23 0.03 -0.01 -0.10 -0.04 0.89 0.77 5bj4A1 GLU 343 H 0.03 0.46 -0.17 -0.55 8.60 8.37 5bj4A1 GLU 343 HA 0.02 -0.03 0.42 -0.75 4.29 3.95 5bj4A1 GLU 343 HB2 0.02 0.11 -0.00 -0.04 2.09 2.18 5bj4A1 GLU 343 HB3 0.02 -0.09 0.09 -0.04 1.99 1.96 5bj4A1 GLU 343 HG2 0.03 0.32 0.23 -0.04 2.34 2.87 5bj4A1 GLU 343 HG3 0.02 -0.07 0.12 -0.04 2.34 2.38 5bj4A1 ALA 344 H 0.04 0.39 -0.28 -0.55 8.40 8.01 5bj4A1 ALA 344 HA 0.02 0.02 0.52 -0.75 4.34 4.15 5bj4A1 ALA 344 HB3 0.06 0.03 0.06 -0.04 1.41 1.51 5bj4A1 GLY 345 H 0.02 0.31 -0.69 -0.55 8.43 7.52 5bj4A1 GLY 345 HA2 0.00 0.03 0.29 -0.51 4.01 3.83 5bj4A1 GLY 345 HA3 -0.01 0.10 0.70 -0.51 4.01 4.29 5bj4A1 VAL 346 H 0.02 0.68 0.02 -0.55 8.24 8.41 5bj4A1 VAL 346 HA -0.03 0.14 1.07 -0.75 4.13 4.56 5bj4A1 VAL 346 HB 0.06 -0.01 -0.05 -0.04 2.12 2.08 5bj4A1 VAL 346 HG13 -0.04 -0.02 -0.22 -0.04 0.97 0.64 5bj4A1 VAL 346 HG23 -0.26 0.03 -0.22 -0.04 0.95 0.46 5bj4A1 ALA 347 H 0.02 0.66 0.26 -0.55 8.40 8.79 5bj4A1 ALA 347 HA 0.05 0.15 0.76 -0.75 4.34 4.55 5bj4A1 ALA 347 HB3 0.03 -0.03 0.04 -0.04 1.41 1.41 5bj4A1 VAL 348 H 0.07 0.26 0.16 -0.55 8.24 8.18 5bj4A1 VAL 348 HA 0.09 0.20 0.76 -0.75 4.13 4.43 5bj4A1 VAL 348 HB 0.10 0.12 0.02 -0.04 2.12 2.31 5bj4A1 VAL 348 HG13 0.17 0.02 -0.34 -0.04 0.97 0.78 5bj4A1 VAL 348 HG23 0.08 -0.01 -0.21 -0.04 0.95 0.78 5bj4A1 VAL 349 H 0.07 0.56 0.23 -0.55 8.24 8.55 5bj4A1 VAL 349 HA 0.08 0.21 0.98 -0.75 4.13 4.64 5bj4A1 VAL 349 HB 0.07 0.01 0.20 -0.04 2.12 2.35 5bj4A1 VAL 349 HG13 0.26 0.03 -0.07 -0.04 0.97 1.15 5bj4A1 VAL 349 HG23 0.11 0.01 -0.03 -0.04 0.95 1.00 5bj4A1 PRO 350 HA 0.06 0.13 0.60 -0.51 4.44 4.72 5bj4A1 PRO 350 HB2 0.07 -0.19 0.03 -0.04 2.28 2.16 5bj4A1 PRO 350 HB3 0.06 0.13 0.09 -0.04 2.02 2.26 5bj4A1 PRO 350 HG2 0.07 -0.03 0.13 -0.04 2.03 2.16 5bj4A1 PRO 350 HG3 0.05 0.08 0.11 -0.04 2.03 2.24 5bj4A1 PRO 350 HD2 0.07 0.11 0.32 -0.04 3.68 4.14 5bj4A1 PRO 350 HD3 0.06 0.24 0.17 -0.04 3.65 4.08 5bj4A1 GLY 351 H 0.05 0.51 0.38 -0.55 8.43 8.82 5bj4A1 GLY 351 HA2 0.04 0.08 0.42 -0.51 4.01 4.04 5bj4A1 GLY 351 HA3 -0.02 0.36 0.29 -0.51 4.01 4.13 5bj4A1 THR 352 H 0.06 0.04 -0.44 -0.55 8.28 7.40 5bj4A1 THR 352 HA -0.07 0.00 0.20 -0.75 4.39 3.77 5bj4A1 THR 352 HB 0.05 0.05 0.02 -0.04 4.32 4.41 5bj4A1 THR 352 HG23 0.19 0.02 -0.05 -0.04 1.22 1.34 5bj4A1 ASP 353 H -0.01 0.19 -0.15 -0.55 8.40 7.88 5bj4A1 ASP 353 HA -0.06 0.14 0.42 -0.75 4.63 4.37 5bj4A1 ASP 353 HB2 -0.32 0.01 0.01 -0.04 2.71 2.37 5bj4A1 ASP 353 HB3 -0.26 0.04 0.07 -0.04 2.70 2.51 5bj4A1 PHE 354 H 0.10 0.25 -0.41 -0.55 8.34 7.73 5bj4A1 PHE 354 HA -0.22 0.30 0.70 -0.75 4.62 4.65 5bj4A1 PHE 354 HB2 -0.27 0.01 -0.01 -0.04 3.15 2.85 5bj4A1 PHE 354 HB3 -0.27 -0.02 0.10 -0.04 3.06 2.83 5bj4A1 PHE 354 HD2 -0.09 0.11 -0.10 -0.04 7.28 7.16 5bj4A1 PHE 354 HE2 -0.02 0.00 -0.08 -0.04 7.38 7.25 5bj4A1 PHE 354 HZ -0.06 0.02 -0.05 -0.04 7.32 7.18 5bj4A1 ALA 355 H -0.35 0.39 -0.34 -0.55 8.40 7.55 5bj4A1 ALA 355 HA -0.96 0.05 0.29 -0.75 4.34 2.97 5bj4A1 ALA 355 HB3 -0.40 0.04 0.07 -0.04 1.41 1.08 5bj4A1 ALA 356 H -0.39 0.55 -0.28 -0.55 8.40 7.73 5bj4A1 ALA 356 HA -0.21 0.22 0.71 -0.75 4.34 4.31 5bj4A1 ALA 356 HB3 -0.24 -0.01 -0.01 -0.04 1.41 1.11 5bj4A1 PHE 357 H -0.38 0.25 -0.37 -0.55 8.34 7.28 5bj4A1 PHE 357 HA 0.07 -0.10 0.40 -0.75 4.62 4.24 5bj4A1 PHE 357 HB2 0.07 0.09 0.01 -0.04 3.15 3.27 5bj4A1 PHE 357 HB3 0.05 -0.05 0.08 -0.04 3.06 3.10 5bj4A1 PHE 357 HD2 0.04 -0.03 -0.01 -0.04 7.28 7.23 5bj4A1 PHE 357 HE2 0.03 0.04 0.01 -0.04 7.38 7.42 5bj4A1 PHE 357 HZ 0.03 0.06 0.02 -0.04 7.32 7.38 5bj4A1 GLY 358 H 0.19 -0.07 0.25 -0.55 8.43 8.25 5bj4A1 GLY 358 HA2 0.03 -0.03 0.35 -0.51 4.01 3.85 5bj4A1 GLY 358 HA3 0.06 0.16 0.45 -0.51 4.01 4.17 5bj4A1 HIS 359 H 0.15 0.16 -0.11 -0.55 8.41 8.06 5bj4A1 HIS 359 HA 0.01 0.33 0.91 -0.75 4.63 5.12 5bj4A1 HIS 359 HB2 -0.04 0.10 -0.18 -0.04 3.26 3.11 5bj4A1 HIS 359 HB3 -0.04 -0.02 -0.13 -0.04 3.20 2.97 5bj4A1 HIS 359 HD2 0.07 0.03 -0.57 -0.04 6.97 6.46 5bj4A1 HIS 359 HE1 0.10 -0.04 -0.07 -0.04 7.75 7.70 5bj4A1 VAL 360 H 0.07 0.55 0.29 -0.55 8.24 8.60 5bj4A1 VAL 360 HA 0.02 0.07 0.86 -0.75 4.13 4.33 5bj4A1 VAL 360 HB 0.01 -0.03 -0.17 -0.04 2.12 1.90 5bj4A1 VAL 360 HG13 0.03 0.02 -0.19 -0.04 0.97 0.78 5bj4A1 VAL 360 HG23 0.04 0.00 -0.18 -0.04 0.95 0.77 5bj4A1 ARG 361 H -0.04 0.71 0.25 -0.55 8.46 8.83 5bj4A1 ARG 361 HA -0.08 0.24 1.08 -0.75 4.34 4.83 5bj4A1 ARG 361 HB2 -0.45 -0.07 0.03 -0.04 1.90 1.37 5bj4A1 ARG 361 HB3 -0.15 -0.06 0.12 -0.04 1.80 1.67 5bj4A1 ARG 361 HG2 -0.04 0.13 -0.16 -0.04 1.67 1.55 5bj4A1 ARG 361 HG3 -0.31 0.09 -0.01 -0.04 1.67 1.40 5bj4A1 ARG 361 HD2 -0.95 -0.06 -0.06 -0.04 3.22 2.11 5bj4A1 ARG 361 HD3 -0.90 -0.07 -0.06 -0.04 3.22 2.15 5bj4A1 LEU 362 H 0.07 0.72 0.42 -0.55 8.37 9.04 5bj4A1 LEU 362 HA 0.13 0.22 0.98 -0.75 4.35 4.93 5bj4A1 LEU 362 HB2 0.16 -0.03 0.07 -0.04 1.64 1.79 5bj4A1 LEU 362 HB3 0.18 0.01 0.00 -0.04 1.64 1.79 5bj4A1 LEU 362 HG 0.08 0.03 -0.12 -0.04 1.64 1.58 5bj4A1 LEU 362 HD13 0.14 0.00 -0.12 -0.04 0.93 0.91 5bj4A1 LEU 362 HD23 0.15 0.01 -0.22 -0.04 0.89 0.79 5bj4A1 SER 363 H 0.15 0.37 0.21 -0.55 8.46 8.64 5bj4A1 SER 363 HA 0.11 0.34 1.07 -0.75 4.49 5.25 5bj4A1 SER 363 HB2 0.36 0.08 -0.16 -0.04 3.95 4.19 5bj4A1 SER 363 HB3 0.14 -0.17 -0.29 -0.04 3.93 3.57 5bj4A1 TYR 364 H -0.37 0.58 0.07 -0.55 8.29 8.02 5bj4A1 TYR 364 HA 0.01 0.22 0.94 -0.75 4.56 4.96 5bj4A1 TYR 364 HB2 0.02 -0.04 0.10 -0.04 3.06 3.10 5bj4A1 TYR 364 HB3 0.03 0.04 -0.11 -0.04 2.98 2.90 5bj4A1 TYR 364 HD2 0.07 -0.04 -0.16 -0.04 7.15 6.97 5bj4A1 TYR 364 HE2 0.00 0.08 -0.23 -0.04 6.85 6.66 5bj4A1 ALA 365 H -0.19 0.16 -0.43 -0.55 8.40 7.40 5bj4A1 ALA 365 HA -0.16 0.12 0.68 -0.75 4.34 4.23 5bj4A1 ALA 365 HB3 -0.87 -0.03 0.05 -0.04 1.41 0.52 5bj4A1 THR 366 H -0.00 0.51 -0.61 -0.55 8.28 7.62 5bj4A1 THR 366 HA -0.09 0.11 0.55 -0.75 4.39 4.20 5bj4A1 THR 366 HB -0.03 -0.13 0.09 -0.04 4.32 4.21 5bj4A1 THR 366 HG23 -0.03 0.04 -0.02 -0.04 1.22 1.17 5bj4A1 SER 367 H -0.06 0.12 0.13 -0.55 8.46 8.10 5bj4A1 SER 367 HA -0.06 0.14 0.41 -0.75 4.49 4.22 5bj4A1 SER 367 HB2 -0.04 -0.04 0.15 -0.04 3.95 3.98 5bj4A1 SER 367 HB3 -0.07 0.11 0.14 -0.04 3.93 4.07 5bj4A1 GLU 368 H -0.03 0.19 0.21 -0.55 8.60 8.43 5bj4A1 GLU 368 HA -0.01 0.16 0.47 -0.75 4.29 4.15 5bj4A1 GLU 368 HB2 -0.02 -0.04 0.15 -0.04 2.09 2.15 5bj4A1 GLU 368 HB3 -0.02 0.06 0.06 -0.04 1.99 2.06 5bj4A1 GLU 368 HG2 -0.01 0.07 0.06 -0.04 2.34 2.41 5bj4A1 GLU 368 HG3 -0.01 -0.02 0.13 -0.04 2.34 2.40 5bj4A1 GLU 369 H -0.02 0.05 -0.19 -0.55 8.60 7.90 5bj4A1 GLU 369 HA -0.02 0.12 0.36 -0.75 4.29 3.99 5bj4A1 GLU 369 HB2 -0.02 0.02 0.08 -0.04 2.09 2.13 5bj4A1 GLU 369 HB3 -0.02 -0.05 0.04 -0.04 1.99 1.92 5bj4A1 GLU 369 HG2 -0.02 0.03 -0.22 -0.04 2.34 2.08 5bj4A1 GLU 369 HG3 -0.02 0.03 0.03 -0.04 2.34 2.34 5bj4A1 ASN 370 H -0.03 0.10 -0.27 -0.55 8.53 7.79 5bj4A1 ASN 370 HA -0.03 0.10 0.50 -0.75 4.76 4.57 5bj4A1 ASN 370 HB2 -0.02 0.09 0.06 -0.04 2.88 2.96 5bj4A1 ASN 370 HB3 -0.03 0.06 -0.06 -0.04 2.79 2.72 5bj4A1 ASN 370 HD21 -0.03 0.04 0.06 -0.04 7.03 7.07 5bj4A1 ASN 370 HD22 -0.03 -0.09 0.09 -0.04 7.74 7.67 5bj4A1 LEU 371 H -0.02 0.38 -0.21 -0.55 8.37 7.97 5bj4A1 LEU 371 HA -0.01 0.07 0.44 -0.75 4.35 4.08 5bj4A1 LEU 371 HB2 -0.01 0.08 0.17 -0.04 1.64 1.85 5bj4A1 LEU 371 HB3 0.01 0.00 -0.02 -0.04 1.64 1.59 5bj4A1 LEU 371 HG 0.03 0.07 -0.09 -0.04 1.64 1.60 5bj4A1 LEU 371 HD13 0.03 0.00 0.03 -0.04 0.93 0.95 5bj4A1 LEU 371 HD23 0.08 -0.01 -0.02 -0.04 0.89 0.90 5bj4A1 ARG 372 H -0.02 0.55 -0.12 -0.55 8.46 8.32 5bj4A1 ARG 372 HA -0.02 0.04 0.38 -0.75 4.34 3.99 5bj4A1 ARG 372 HB2 -0.02 0.06 0.16 -0.04 1.90 2.05 5bj4A1 ARG 372 HB3 -0.02 -0.01 0.01 -0.04 1.80 1.74 5bj4A1 ARG 372 HG2 -0.01 0.00 0.01 -0.04 1.67 1.63 5bj4A1 ARG 372 HG3 -0.02 0.12 0.03 -0.04 1.67 1.76 5bj4A1 ARG 372 HD2 -0.01 -0.06 -0.05 -0.04 3.22 3.06 5bj4A1 ARG 372 HD3 -0.01 0.01 -0.01 -0.04 3.22 3.17 5bj4A1 LYS 373 H -0.05 0.37 -0.26 -0.55 8.42 7.93 5bj4A1 LYS 373 HA -0.05 0.02 0.35 -0.75 4.32 3.88 5bj4A1 LYS 373 HB2 -0.04 0.06 0.16 -0.04 1.87 2.00 5bj4A1 LYS 373 HB3 -0.06 0.09 0.13 -0.04 1.79 1.90 5bj4A1 LYS 373 HG2 -0.06 0.05 -0.06 -0.04 1.46 1.35 5bj4A1 LYS 373 HG3 -0.04 -0.03 0.04 -0.04 1.46 1.39 5bj4A1 LYS 373 HD2 -0.04 -0.03 -0.03 -0.04 1.69 1.55 5bj4A1 LYS 373 HD3 -0.03 0.04 -0.06 -0.04 1.68 1.58 5bj4A1 LYS 373 HE2 -0.02 -0.04 -0.04 -0.04 2.99 2.85 5bj4A1 LYS 373 HE3 -0.02 0.00 -0.02 -0.04 2.99 2.90 5bj4A1 ALA 374 H -0.12 0.45 -0.28 -0.55 8.40 7.90 5bj4A1 ALA 374 HA -0.32 0.07 0.41 -0.75 4.34 3.75 5bj4A1 ALA 374 HB3 -0.32 0.02 0.03 -0.04 1.41 1.10 5bj4A1 LEU 375 H -0.15 0.57 -0.08 -0.55 8.37 8.16 5bj4A1 LEU 375 HA 0.11 0.02 0.32 -0.75 4.35 4.04 5bj4A1 LEU 375 HB2 -0.00 0.08 0.13 -0.04 1.64 1.80 5bj4A1 LEU 375 HB3 0.07 -0.00 -0.04 -0.04 1.64 1.62 5bj4A1 LEU 375 HG 0.06 0.07 0.02 -0.04 1.64 1.75 5bj4A1 LEU 375 HD13 0.03 -0.03 -0.08 -0.04 0.93 0.81 5bj4A1 LEU 375 HD23 0.26 0.01 -0.12 -0.04 0.89 1.00 5bj4A1 GLU 376 H -0.08 0.42 -0.35 -0.55 8.60 8.04 5bj4A1 GLU 376 HA 0.00 0.01 0.38 -0.75 4.29 3.92 5bj4A1 GLU 376 HB2 -0.03 0.08 0.12 -0.04 2.09 2.22 5bj4A1 GLU 376 HB3 -0.05 0.16 0.12 -0.04 1.99 2.18 5bj4A1 GLU 376 HG2 -0.00 -0.02 0.06 -0.04 2.34 2.33 5bj4A1 GLU 376 HG3 -0.01 -0.06 0.02 -0.04 2.34 2.24 5bj4A1 ARG 377 H -0.14 0.38 -0.17 -0.55 8.46 7.98 5bj4A1 ARG 377 HA -0.02 0.00 0.44 -0.75 4.34 4.01 5bj4A1 ARG 377 HB2 -0.18 -0.01 -0.04 -0.04 1.90 1.64 5bj4A1 ARG 377 HB3 -0.05 0.27 0.14 -0.04 1.80 2.12 5bj4A1 ARG 377 HG2 -0.11 0.19 0.24 -0.04 1.67 1.95 5bj4A1 ARG 377 HG3 -0.14 -0.13 -0.00 -0.04 1.67 1.36 5bj4A1 ARG 377 HD2 -0.04 0.04 0.10 -0.04 3.22 3.28 5bj4A1 ARG 377 HD3 -0.05 -0.12 0.03 -0.04 3.22 3.05 5bj4A1 PHE 378 H -0.09 0.44 -0.33 -0.55 8.34 7.80 5bj4A1 PHE 378 HA 0.01 -0.01 0.36 -0.75 4.62 4.22 5bj4A1 PHE 378 HB2 0.01 0.32 0.08 -0.04 3.15 3.51 5bj4A1 PHE 378 HB3 0.01 -0.05 -0.06 -0.04 3.06 2.93 5bj4A1 PHE 378 HD2 0.01 -0.00 -0.08 -0.04 7.28 7.17 5bj4A1 PHE 378 HE2 0.02 -0.04 -0.15 -0.04 7.38 7.17 5bj4A1 PHE 378 HZ 0.03 -0.06 -0.15 -0.04 7.32 7.10 5bj4A1 ALA 379 H 0.10 0.38 -0.48 -0.55 8.40 7.86 5bj4A1 ALA 379 HA 0.07 0.05 0.44 -0.75 4.34 4.15 5bj4A1 ALA 379 HB3 0.04 0.01 0.10 -0.04 1.41 1.53 5bj4A1 ARG 380 H 0.06 0.45 -0.27 -0.55 8.46 8.16 5bj4A1 ARG 380 HA 0.03 0.02 0.43 -0.75 4.34 4.07 5bj4A1 ARG 380 HB2 0.04 0.17 0.10 -0.04 1.90 2.18 5bj4A1 ARG 380 HB3 0.03 -0.07 0.12 -0.04 1.80 1.84 5bj4A1 ARG 380 HG2 0.02 -0.08 0.05 -0.04 1.67 1.61 5bj4A1 ARG 380 HG3 0.03 -0.01 0.10 -0.04 1.67 1.75 5bj4A1 ARG 380 HD2 0.02 0.17 0.17 -0.04 3.22 3.53 5bj4A1 ARG 380 HD3 0.01 -0.07 0.07 -0.04 3.22 3.19 5bj4A1 VAL 381 H 0.08 0.39 -0.42 -0.55 8.24 7.73 5bj4A1 VAL 381 HA 0.03 0.23 1.08 -0.75 4.13 4.72 5bj4A1 VAL 381 HB 0.03 -0.03 0.16 -0.04 2.12 2.25 5bj4A1 VAL 381 HG13 0.05 -0.03 -0.22 -0.04 0.97 0.73 5bj4A1 VAL 381 HG23 0.11 0.02 -0.04 -0.04 0.95 0.99 5bj4A1 LEU 382 H 0.03 0.27 -0.33 -0.55 8.37 7.80 5bj4A1 LEU 382 HA 0.00 0.25 0.60 -0.75 4.35 4.44 5bj4A1 LEU 382 HB2 0.01 0.03 0.10 -0.04 1.64 1.74 5bj4A1 LEU 382 HB3 0.00 -0.02 0.06 -0.04 1.64 1.64 5bj4A1 LEU 382 HG 0.03 0.08 -0.03 -0.04 1.64 1.68 5bj4A1 LEU 382 HD13 0.02 -0.01 0.05 -0.04 0.93 0.95 5bj4A1 LEU 382 HD23 -0.02 0.00 -0.15 -0.04 0.89 0.68