============================================================================= 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 7 1.000 -33.403 25.496 -0.246 -99.200 -91.000 TRP 22 1.040 -27.902 22.243 3.097 -99.200 -91.000 TRP6 22 1.020 -30.163 22.900 3.084 -99.200 -91.000 PHE 25 1.000 -34.324 19.086 1.474 -99.200 -91.000 TYR 34 0.840 -40.671 24.073 -9.894 -99.200 -91.000 PHE 39 1.000 -27.340 33.333 -4.301 -99.200 -91.000 PHE 40 1.000 -23.569 26.581 -1.152 -99.200 -91.000 TYR 44 0.840 -25.908 33.412 8.941 -99.200 -91.000 PHE 52 1.000 -31.259 44.289 -5.287 -99.200 -91.000 TRP 59 1.040 -31.519 26.172 7.178 -99.200 -91.000 TRP6 59 1.020 -29.172 26.129 7.477 -99.200 -91.000 TYR 60 0.840 -33.013 33.821 4.601 -99.200 -91.000 HIS 72 0.900 -38.911 40.600 -2.762 -99.200 -91.000 PHE 76 1.000 -41.855 27.242 2.363 -99.200 -91.000 TYR 88 0.840 -30.515 27.335 16.961 -99.200 -91.000 TRP 89 1.040 -30.753 25.169 24.248 -99.200 -91.000 TRP6 89 1.020 -31.169 22.981 23.454 -99.200 -91.000 PHE 114 1.000 -16.948 37.831 21.395 -99.200 -91.000 TYR 125 0.840 -24.095 41.174 16.200 -99.200 -91.000 TYR 130 0.840 -31.793 41.039 26.202 -99.200 -91.000 TYR 131 0.840 -31.305 36.199 26.633 -99.200 -91.000 PHE 133 1.000 -20.588 40.142 24.529 -99.200 -91.000 PHE 144 1.000 -14.458 40.176 24.611 -99.200 -91.000 HIS 152 0.900 -23.247 29.970 14.074 -99.200 -91.000 PHE 169 1.000 -19.700 25.787 17.213 -99.200 -91.000 TRP 191 1.040 -24.281 32.440 28.647 -99.200 -91.000 TRP6 191 1.020 -25.313 32.917 26.578 -99.200 -91.000 TRP 203 1.040 -42.969 31.624 -0.082 -99.200 -91.000 TRP6 203 1.020 -44.072 29.543 -0.158 -99.200 -91.000 PHE 218 1.000 -38.856 18.213 -1.512 -99.200 -91.000 PHE 219 1.000 -38.936 22.651 1.655 -99.200 -91.000 PHE 220 1.000 -45.657 22.392 4.752 -99.200 -91.000 TYR 222 0.840 -37.191 14.910 1.710 -99.200 -91.000 TRP 237 1.040 -33.189 20.300 9.848 -99.200 -91.000 TRP6 237 1.020 -32.926 21.050 7.621 -99.200 -91.000 PHE 240 1.000 -37.727 20.108 5.689 -99.200 -91.000 PHE 257 1.000 -37.592 42.069 25.739 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3n5lB1 ASP 26 HA 0.01 -0.05 0.17 -0.75 4.63 4.00 3n5lB1 GLN 27 H 0.01 0.13 0.07 -0.55 8.47 8.14 3n5lB1 GLN 27 HA 0.03 0.10 0.26 -0.75 4.36 3.99 3n5lB1 GLN 27 HB2 0.03 -0.10 -0.00 -0.04 2.15 2.04 3n5lB1 GLN 27 HB3 0.04 0.18 0.09 -0.04 2.02 2.30 3n5lB1 GLN 27 HG2 -0.01 0.09 -0.01 -0.04 2.40 2.43 3n5lB1 GLN 27 HG3 0.00 -0.09 0.02 -0.04 2.39 2.29 3n5lB1 GLN 27 HE21 -0.00 -0.04 -0.06 -0.04 6.97 6.83 3n5lB1 GLN 27 HE22 -0.00 -0.01 -0.01 -0.04 7.69 7.63 3n5lB1 PRO 28 HA 0.03 0.07 0.56 -0.51 4.44 4.58 3n5lB1 PRO 28 HB2 0.09 -0.02 -0.04 -0.04 2.28 2.27 3n5lB1 PRO 28 HB3 0.02 0.00 0.12 -0.04 2.02 2.12 3n5lB1 PRO 28 HG2 0.25 0.01 0.06 -0.04 2.03 2.31 3n5lB1 PRO 28 HG3 0.08 0.04 0.10 -0.04 2.03 2.22 3n5lB1 PRO 28 HD2 0.16 0.19 0.24 -0.04 3.68 4.23 3n5lB1 PRO 28 HD3 0.06 0.16 0.25 -0.04 3.65 4.07 3n5lB1 VAL 29 H -0.02 0.12 0.20 -0.55 8.24 8.00 3n5lB1 VAL 29 HA 0.01 0.29 0.80 -0.75 4.13 4.48 3n5lB1 VAL 29 HB -0.01 -0.06 0.12 -0.04 2.12 2.13 3n5lB1 VAL 29 HG13 0.01 0.01 -0.16 -0.04 0.97 0.79 3n5lB1 VAL 29 HG23 0.01 0.02 -0.00 -0.04 0.95 0.94 3n5lB1 ILE 30 H -0.01 0.57 0.07 -0.55 8.25 8.33 3n5lB1 ILE 30 HA -0.11 0.14 0.84 -0.75 4.18 4.29 3n5lB1 ILE 30 HB 0.00 -0.01 0.01 -0.04 1.89 1.85 3n5lB1 ILE 30 HG12 -0.33 0.01 -0.36 -0.04 1.49 0.77 3n5lB1 ILE 30 HG13 -0.17 -0.00 -0.14 -0.04 1.21 0.85 3n5lB1 ILE 30 HG23 0.02 -0.02 -0.28 -0.04 0.93 0.61 3n5lB1 ILE 30 HD13 -0.42 0.02 -0.06 -0.04 0.88 0.37 3n5lB1 ASN 31 H -0.05 0.17 0.04 -0.55 8.53 8.15 3n5lB1 ASN 31 HA 0.05 0.29 0.87 -0.75 4.76 5.22 3n5lB1 ASN 31 HB2 -0.06 -0.11 0.15 -0.04 2.88 2.81 3n5lB1 ASN 31 HB3 0.02 0.07 0.11 -0.04 2.79 2.95 3n5lB1 ASN 31 HD21 0.02 -0.01 -0.04 -0.04 7.03 6.96 3n5lB1 ASN 31 HD22 -0.02 0.02 -0.06 -0.04 7.74 7.64 3n5lB1 PHE 32 H 0.14 0.76 0.24 -0.55 8.34 8.92 3n5lB1 PHE 32 HA -0.04 0.28 0.83 -0.75 4.62 4.94 3n5lB1 PHE 32 HB2 0.01 0.02 -0.13 -0.04 3.15 3.01 3n5lB1 PHE 32 HB3 -0.04 -0.08 -0.01 -0.04 3.06 2.90 3n5lB1 PHE 32 HD2 -0.02 -0.00 -0.40 -0.04 7.28 6.81 3n5lB1 PHE 32 HE2 0.36 -0.04 -0.13 -0.04 7.38 7.53 3n5lB1 PHE 32 HZ 0.64 -0.02 -0.19 -0.04 7.32 7.70 3n5lB1 GLY 33 H -0.30 0.69 0.46 -0.55 8.43 8.73 3n5lB1 GLY 33 HA2 -0.01 0.25 0.59 -0.51 4.01 4.33 3n5lB1 GLY 33 HA3 -0.21 -0.02 0.33 -0.51 4.01 3.60 3n5lB1 ILE 34 H -0.08 0.55 0.29 -0.55 8.25 8.46 3n5lB1 ILE 34 HA 0.04 0.10 0.93 -0.75 4.18 4.50 3n5lB1 ILE 34 HB -0.29 -0.04 0.13 -0.04 1.89 1.65 3n5lB1 ILE 34 HG12 -1.58 0.02 -0.10 -0.04 1.49 -0.21 3n5lB1 ILE 34 HG13 -0.30 0.08 -0.54 -0.04 1.21 0.41 3n5lB1 ILE 34 HG23 -0.37 0.01 -0.05 -0.04 0.93 0.48 3n5lB1 ILE 34 HD13 -0.63 -0.02 -0.08 -0.04 0.88 0.10 3n5lB1 ILE 35 H -0.05 0.34 0.18 -0.55 8.25 8.17 3n5lB1 ILE 35 HA -0.05 0.07 0.41 -0.75 4.18 3.85 3n5lB1 ILE 35 HB -1.11 -0.14 0.01 -0.04 1.89 0.61 3n5lB1 ILE 35 HG12 -1.10 0.32 0.07 -0.04 1.49 0.74 3n5lB1 ILE 35 HG13 -0.64 -0.05 -0.01 -0.04 1.21 0.48 3n5lB1 ILE 35 HG23 -0.41 0.04 0.10 -0.04 0.93 0.62 3n5lB1 ILE 35 HD13 -0.94 -0.07 -0.03 -0.04 0.88 -0.21 3n5lB1 SER 36 H 0.20 0.06 0.00 -0.55 8.46 8.18 3n5lB1 SER 36 HA 0.22 0.22 0.34 -0.75 4.49 4.52 3n5lB1 SER 36 HB2 0.16 0.01 0.14 -0.04 3.95 4.22 3n5lB1 SER 36 HB3 0.18 0.27 0.05 -0.04 3.93 4.39 3n5lB1 THR 37 H 0.32 0.61 -0.01 -0.55 8.28 8.64 3n5lB1 THR 37 HA 0.41 -0.11 0.57 -0.75 4.39 4.50 3n5lB1 THR 37 HB 0.40 -0.04 0.04 -0.04 4.32 4.69 3n5lB1 THR 37 HG23 0.35 -0.00 -0.05 -0.04 1.22 1.48 3n5lB1 GLU 38 H 0.24 0.28 -0.08 -0.55 8.60 8.49 3n5lB1 GLU 38 HA 0.15 0.05 0.59 -0.75 4.29 4.33 3n5lB1 GLU 38 HB2 0.16 0.06 -0.09 -0.04 2.09 2.17 3n5lB1 GLU 38 HB3 0.11 -0.04 0.11 -0.04 1.99 2.12 3n5lB1 GLU 38 HG2 0.18 0.04 -0.02 -0.04 2.34 2.50 3n5lB1 GLU 38 HG3 0.23 -0.11 -0.45 -0.04 2.34 1.96 3n5lB1 SER 39 H 0.06 0.16 0.11 -0.55 8.46 8.23 3n5lB1 SER 39 HA -0.01 0.14 0.47 -0.75 4.49 4.34 3n5lB1 SER 39 HB2 -0.04 0.02 0.13 -0.04 3.95 4.02 3n5lB1 SER 39 HB3 0.00 0.13 0.14 -0.04 3.93 4.16 3n5lB1 SER 40 H -0.18 0.21 0.17 -0.55 8.46 8.12 3n5lB1 SER 40 HA -0.73 0.00 0.47 -0.75 4.49 3.47 3n5lB1 SER 40 HB2 -0.34 0.00 0.06 -0.04 3.95 3.63 3n5lB1 SER 40 HB3 -1.06 0.00 0.02 -0.04 3.93 2.85 3n5lB1 GLN 41 H -0.12 0.10 -0.20 -0.55 8.47 7.70 3n5lB1 GLN 41 HA -0.06 0.15 0.35 -0.75 4.36 4.04 3n5lB1 GLN 41 HB2 -0.02 0.11 0.06 -0.04 2.15 2.25 3n5lB1 GLN 41 HB3 -0.05 -0.03 0.08 -0.04 2.02 1.98 3n5lB1 GLN 41 HG2 -0.02 -0.19 -0.05 -0.04 2.40 2.10 3n5lB1 GLN 41 HG3 -0.01 0.09 -0.27 -0.04 2.39 2.16 3n5lB1 GLN 41 HE21 -0.00 0.06 -0.02 -0.04 6.97 6.97 3n5lB1 GLN 41 HE22 0.00 -0.02 -0.04 -0.04 7.69 7.59 3n5lB1 ASN 42 H -0.02 -0.01 -0.31 -0.55 8.53 7.64 3n5lB1 ASN 42 HA 0.03 0.15 0.43 -0.75 4.76 4.61 3n5lB1 ASN 42 HB2 0.05 -0.05 0.08 -0.04 2.88 2.92 3n5lB1 ASN 42 HB3 0.06 0.06 -0.08 -0.04 2.79 2.79 3n5lB1 ASN 42 HD21 0.04 0.07 -0.01 -0.04 7.03 7.09 3n5lB1 ASN 42 HD22 0.06 -0.02 -0.01 -0.04 7.74 7.74 3n5lB1 LEU 43 H 0.03 0.48 -0.16 -0.55 8.37 8.17 3n5lB1 LEU 43 HA 0.29 0.06 0.34 -0.75 4.35 4.29 3n5lB1 LEU 43 HB2 0.06 -0.02 0.11 -0.04 1.64 1.74 3n5lB1 LEU 43 HB3 0.30 0.01 -0.02 -0.04 1.64 1.90 3n5lB1 LEU 43 HG 0.15 0.03 -0.15 -0.04 1.64 1.63 3n5lB1 LEU 43 HD13 0.23 -0.06 -0.09 -0.04 0.93 0.97 3n5lB1 LEU 43 HD23 0.33 -0.02 -0.04 -0.04 0.89 1.12 3n5lB1 LYS 44 H 0.05 0.70 -0.11 -0.55 8.42 8.51 3n5lB1 LYS 44 HA 0.31 -0.05 0.34 -0.75 4.32 4.17 3n5lB1 LYS 44 HB2 0.05 0.12 0.14 -0.04 1.87 2.13 3n5lB1 LYS 44 HB3 0.11 0.01 -0.02 -0.04 1.79 1.84 3n5lB1 LYS 44 HG2 0.28 -0.03 0.04 -0.04 1.46 1.70 3n5lB1 LYS 44 HG3 0.05 0.03 0.04 -0.04 1.46 1.54 3n5lB1 LYS 44 HD2 0.00 -0.04 -0.07 -0.04 1.69 1.54 3n5lB1 LYS 44 HD3 0.08 0.04 -0.02 -0.04 1.68 1.73 3n5lB1 LYS 44 HE2 0.18 0.04 -0.03 -0.04 2.99 3.15 3n5lB1 LYS 44 HE3 0.05 -0.08 -0.07 -0.04 2.99 2.85 3n5lB1 SER 45 H 0.08 0.35 -0.42 -0.55 8.46 7.92 3n5lB1 SER 45 HA 0.05 -0.00 0.24 -0.75 4.49 4.03 3n5lB1 SER 45 HB2 0.01 -0.03 0.07 -0.04 3.95 3.96 3n5lB1 SER 45 HB3 0.03 0.01 0.14 -0.04 3.93 4.06 3n5lB1 ILE 46 H 0.07 0.27 -0.14 -0.55 8.25 7.90 3n5lB1 ILE 46 HA -0.09 0.18 0.91 -0.75 4.18 4.42 3n5lB1 ILE 46 HB -0.34 0.01 -0.06 -0.04 1.89 1.46 3n5lB1 ILE 46 HG12 0.04 0.05 0.11 -0.04 1.49 1.65 3n5lB1 ILE 46 HG13 -0.19 -0.00 -0.07 -0.04 1.21 0.90 3n5lB1 ILE 46 HG23 -0.10 0.01 -0.04 -0.04 0.93 0.75 3n5lB1 ILE 46 HD13 -0.20 -0.02 -0.01 -0.04 0.88 0.60 3n5lB1 TRP 47 H 0.27 0.59 0.03 -0.55 7.97 8.32 3n5lB1 TRP 47 HA -0.01 0.11 0.69 -0.75 4.62 4.65 3n5lB1 TRP 47 HB2 0.09 0.08 -0.04 -0.04 3.23 3.31 3n5lB1 TRP 47 HB3 0.01 -0.06 -0.08 -0.04 3.23 3.05 3n5lB1 TRP 47 HD1 -0.03 0.08 0.05 -0.04 7.22 7.28 3n5lB1 TRP 47 HE1 -0.45 -0.05 -0.03 -0.04 10.20 9.63 3n5lB1 TRP 47 HE3 -0.11 -0.03 -0.06 -0.04 7.59 7.36 3n5lB1 TRP 47 HZ2 -1.30 -0.04 -0.03 -0.04 7.44 6.03 3n5lB1 TRP 47 HZ3 -0.20 0.01 -0.11 -0.04 7.13 6.79 3n5lB1 TRP 47 HH2 0.33 -0.02 -0.05 -0.04 7.19 7.40 3n5lB1 GLU 48 H 0.20 0.73 0.12 -0.55 8.60 9.11 3n5lB1 GLU 48 HA 0.13 -0.03 0.33 -0.75 4.29 3.97 3n5lB1 GLU 48 HB2 0.09 0.19 0.11 -0.04 2.09 2.44 3n5lB1 GLU 48 HB3 0.07 -0.03 -0.01 -0.04 1.99 1.99 3n5lB1 GLU 48 HG2 0.11 -0.03 0.06 -0.04 2.34 2.44 3n5lB1 GLU 48 HG3 0.18 -0.07 0.12 -0.04 2.34 2.53 3n5lB1 PRO 49 HA 0.05 0.05 0.50 -0.51 4.44 4.53 3n5lB1 PRO 49 HB2 0.04 0.07 -0.03 -0.04 2.28 2.32 3n5lB1 PRO 49 HB3 0.04 -0.02 0.04 -0.04 2.02 2.05 3n5lB1 PRO 49 HG2 0.00 0.15 0.03 -0.04 2.03 2.17 3n5lB1 PRO 49 HG3 0.03 -0.01 0.01 -0.04 2.03 2.02 3n5lB1 PRO 49 HD2 0.04 0.10 -0.64 -0.04 3.68 3.14 3n5lB1 PRO 49 HD3 0.06 0.13 -0.04 -0.04 3.65 3.75 3n5lB1 PHE 50 H 0.14 0.34 -0.25 -0.55 8.34 8.02 3n5lB1 PHE 50 HA 0.00 0.00 0.47 -0.75 4.62 4.34 3n5lB1 PHE 50 HB2 -0.22 0.05 0.07 -0.04 3.15 3.02 3n5lB1 PHE 50 HB3 -0.17 0.12 0.15 -0.04 3.06 3.12 3n5lB1 PHE 50 HD2 -0.20 -0.02 -0.07 -0.04 7.28 6.95 3n5lB1 PHE 50 HE2 -0.45 -0.03 -0.11 -0.04 7.38 6.75 3n5lB1 PHE 50 HZ -0.54 -0.01 -0.12 -0.04 7.32 6.61 3n5lB1 LEU 51 H 0.08 0.55 -0.04 -0.55 8.37 8.41 3n5lB1 LEU 51 HA -0.33 0.02 0.37 -0.75 4.35 3.66 3n5lB1 LEU 51 HB2 0.02 0.05 0.06 -0.04 1.64 1.72 3n5lB1 LEU 51 HB3 -0.05 0.04 -0.05 -0.04 1.64 1.54 3n5lB1 LEU 51 HG 0.20 0.14 -0.12 -0.04 1.64 1.82 3n5lB1 LEU 51 HD13 -0.00 -0.03 -0.17 -0.04 0.93 0.69 3n5lB1 LEU 51 HD23 -0.31 -0.02 -0.15 -0.04 0.89 0.37 3n5lB1 LYS 52 H -0.01 0.46 -0.25 -0.55 8.42 8.06 3n5lB1 LYS 52 HA -0.04 0.02 0.43 -0.75 4.32 3.98 3n5lB1 LYS 52 HB2 0.01 0.02 0.12 -0.04 1.87 1.98 3n5lB1 LYS 52 HB3 0.02 0.08 0.19 -0.04 1.79 2.03 3n5lB1 LYS 52 HG2 0.01 -0.02 -0.23 -0.04 1.46 1.18 3n5lB1 LYS 52 HG3 0.00 -0.02 0.00 -0.04 1.46 1.40 3n5lB1 LYS 52 HD2 0.02 -0.01 -0.01 -0.04 1.69 1.64 3n5lB1 LYS 52 HD3 0.03 -0.01 -0.00 -0.04 1.68 1.65 3n5lB1 LYS 52 HE2 0.02 -0.02 -0.04 -0.04 2.99 2.90 3n5lB1 LYS 52 HE3 0.01 0.00 -0.03 -0.04 2.99 2.93 3n5lB1 ASP 53 H -0.00 0.46 -0.17 -0.55 8.40 8.13 3n5lB1 ASP 53 HA 0.05 -0.04 0.30 -0.75 4.63 4.19 3n5lB1 ASP 53 HB2 0.14 0.24 0.18 -0.04 2.71 3.23 3n5lB1 ASP 53 HB3 0.42 -0.10 0.12 -0.04 2.70 3.09 3n5lB1 SER 55 HA -0.09 -0.01 0.44 -0.75 4.49 4.07 3n5lB1 SER 55 HB2 -0.06 0.07 0.16 -0.04 3.95 4.09 3n5lB1 SER 55 HB3 -0.04 0.03 0.15 -0.04 3.93 4.04 3n5lB1 GLN 56 H -0.08 0.67 -0.60 -0.55 8.47 7.91 3n5lB1 GLN 56 HA -0.04 0.01 0.34 -0.75 4.36 3.92 3n5lB1 GLN 56 HB2 -0.01 -0.02 0.06 -0.04 2.15 2.15 3n5lB1 GLN 56 HB3 0.00 0.07 0.14 -0.04 2.02 2.19 3n5lB1 GLN 57 H -0.08 0.60 0.29 -0.55 8.47 8.74 3n5lB1 GLN 57 HA 0.02 0.00 0.58 -0.75 4.36 4.20 3n5lB1 GLN 57 HB2 0.09 0.00 0.08 -0.04 2.15 2.29 3n5lB1 GLN 57 HB3 0.20 0.00 -0.02 -0.04 2.02 2.16 3n5lB1 GLN 57 HG2 0.12 0.00 0.01 -0.04 2.40 2.48 3n5lB1 GLN 57 HG3 0.20 0.00 0.07 -0.04 2.39 2.61 3n5lB1 GLN 57 HE21 0.18 0.02 -0.05 -0.04 6.97 7.07 3n5lB1 GLN 57 HE22 0.26 0.02 -0.05 -0.04 7.69 7.88 3n5lB1 THR 58 H -0.19 0.19 -0.11 -0.55 8.28 7.62 3n5lB1 THR 58 HA -0.14 0.13 0.50 -0.75 4.39 4.12 3n5lB1 THR 58 HB -0.22 -0.04 -0.01 -0.04 4.32 4.00 3n5lB1 THR 58 HG23 -0.13 0.00 -0.13 -0.04 1.22 0.92 3n5lB1 GLY 59 H -0.15 0.47 -0.25 -0.55 8.43 7.95 3n5lB1 GLY 59 HA2 -0.12 0.06 0.27 -0.51 4.01 3.71 3n5lB1 GLY 59 HA3 -0.22 0.02 0.53 -0.51 4.01 3.83 3n5lB1 TYR 60 H -0.15 -0.02 -0.24 -0.55 8.29 7.33 3n5lB1 TYR 60 HA -0.04 0.22 0.79 -0.75 4.56 4.78 3n5lB1 TYR 60 HB2 -0.07 -0.08 -0.10 -0.04 3.06 2.76 3n5lB1 TYR 60 HB3 -0.04 0.04 -0.18 -0.04 2.98 2.75 3n5lB1 TYR 60 HD2 -0.06 0.03 -0.11 -0.04 7.15 6.98 3n5lB1 TYR 60 HE2 -0.04 -0.05 -0.07 -0.04 6.85 6.65 3n5lB1 GLN 61 H 0.10 0.71 0.10 -0.55 8.47 8.84 3n5lB1 GLN 61 HA 0.02 0.12 0.76 -0.75 4.36 4.50 3n5lB1 GLN 61 HB2 0.03 0.01 0.01 -0.04 2.15 2.15 3n5lB1 GLN 61 HB3 0.03 -0.01 0.06 -0.04 2.02 2.06 3n5lB1 GLN 61 HG2 0.02 -0.02 -0.28 -0.04 2.40 2.07 3n5lB1 GLN 61 HG3 0.01 0.01 -0.05 -0.04 2.39 2.33 3n5lB1 GLN 61 HE21 0.02 -0.02 -0.04 -0.04 6.97 6.88 3n5lB1 GLN 61 HE22 0.02 -0.00 -0.06 -0.04 7.69 7.60 3n5lB1 VAL 62 H -0.00 0.31 0.08 -0.55 8.24 8.08 3n5lB1 VAL 62 HA 0.03 0.15 0.74 -0.75 4.13 4.29 3n5lB1 VAL 62 HB -0.06 0.12 0.16 -0.04 2.12 2.30 3n5lB1 VAL 62 HG13 0.05 -0.04 -0.13 -0.04 0.97 0.80 3n5lB1 VAL 62 HG23 -0.05 0.02 -0.02 -0.04 0.95 0.85 3n5lB1 LYS 63 H 0.04 0.67 0.38 -0.55 8.42 8.95 3n5lB1 LYS 63 HA 0.03 0.11 0.90 -0.75 4.32 4.60 3n5lB1 LYS 63 HB2 0.05 -0.03 0.09 -0.04 1.87 1.93 3n5lB1 LYS 63 HB3 0.04 0.04 0.01 -0.04 1.79 1.83 3n5lB1 LYS 63 HG2 0.03 0.01 -0.14 -0.04 1.46 1.32 3n5lB1 LYS 63 HG3 0.03 0.08 -0.29 -0.04 1.46 1.24 3n5lB1 LYS 63 HD2 0.03 -0.01 -0.05 -0.04 1.69 1.62 3n5lB1 LYS 63 HD3 0.03 -0.02 -0.03 -0.04 1.68 1.62 3n5lB1 LYS 63 HE2 0.02 -0.02 -0.05 -0.04 2.99 2.90 3n5lB1 LYS 63 HE3 0.02 0.04 -0.09 -0.04 2.99 2.92 3n5lB1 ALA 64 H -0.00 0.10 0.12 -0.55 8.40 8.07 3n5lB1 ALA 64 HA -0.13 0.18 0.50 -0.75 4.34 4.14 3n5lB1 ALA 64 HB3 -0.39 -0.02 0.03 -0.04 1.41 0.99 3n5lB1 PHE 65 H -0.17 0.67 0.24 -0.55 8.34 8.53 3n5lB1 PHE 65 HA -0.14 0.12 0.72 -0.75 4.62 4.56 3n5lB1 PHE 65 HB2 -0.08 0.07 -0.14 -0.04 3.15 2.96 3n5lB1 PHE 65 HB3 -0.13 -0.11 -0.15 -0.04 3.06 2.63 3n5lB1 PHE 65 HD2 -0.03 -0.06 -0.25 -0.04 7.28 6.90 3n5lB1 PHE 65 HE2 0.02 -0.01 -0.16 -0.04 7.38 7.20 3n5lB1 PHE 65 HZ 0.03 -0.02 -0.05 -0.04 7.32 7.24 3n5lB1 PHE 66 H -0.22 0.21 0.10 -0.55 8.34 7.88 3n5lB1 PHE 66 HA 0.05 0.23 0.90 -0.75 4.62 5.04 3n5lB1 PHE 66 HB2 -0.08 0.02 0.00 -0.04 3.15 3.05 3n5lB1 PHE 66 HB3 -0.01 -0.03 0.07 -0.04 3.06 3.05 3n5lB1 PHE 66 HD2 -0.02 0.10 -0.03 -0.04 7.28 7.29 3n5lB1 PHE 66 HE2 -0.04 0.03 -0.07 -0.04 7.38 7.27 3n5lB1 PHE 66 HZ 0.02 0.01 -0.09 -0.04 7.32 7.22 3n5lB1 ALA 67 H 0.22 0.27 0.20 -0.55 8.40 8.54 3n5lB1 ALA 67 HA 0.05 0.20 0.48 -0.75 4.34 4.32 3n5lB1 ALA 67 HB3 0.17 0.05 -0.06 -0.04 1.41 1.53 3n5lB1 PRO 68 HA 0.05 0.07 0.48 -0.51 4.44 4.53 3n5lB1 PRO 68 HB2 0.03 -0.00 0.00 -0.04 2.28 2.27 3n5lB1 PRO 68 HB3 0.02 0.06 0.11 -0.04 2.02 2.17 3n5lB1 PRO 68 HG2 0.02 0.09 0.08 -0.04 2.03 2.18 3n5lB1 PRO 68 HG3 0.02 0.07 0.07 -0.04 2.03 2.15 3n5lB1 PRO 68 HD2 0.06 0.08 0.21 -0.04 3.68 3.98 3n5lB1 PRO 68 HD3 0.03 0.20 0.19 -0.04 3.65 4.03 3n5lB1 ASP 69 H 0.10 0.16 -0.16 -0.55 8.40 7.96 3n5lB1 ASP 69 HA 0.11 0.17 0.66 -0.75 4.63 4.81 3n5lB1 ASP 69 HB2 -0.02 -0.12 0.14 -0.04 2.71 2.66 3n5lB1 ASP 69 HB3 0.01 0.20 -0.15 -0.04 2.70 2.72 3n5lB1 TYR 70 H 0.12 0.16 0.12 -0.55 8.29 8.13 3n5lB1 TYR 70 HA 0.07 0.09 0.40 -0.75 4.56 4.37 3n5lB1 TYR 70 HB2 -0.01 -0.03 0.06 -0.04 3.06 3.03 3n5lB1 TYR 70 HB3 0.03 0.12 0.02 -0.04 2.98 3.11 3n5lB1 TYR 70 HD2 0.01 0.09 -0.14 -0.04 7.15 7.07 3n5lB1 TYR 70 HE2 0.04 -0.03 -0.16 -0.04 6.85 6.67 3n5lB1 ALA 71 H 0.09 0.05 -0.16 -0.55 8.40 7.84 3n5lB1 ALA 71 HA 0.07 0.12 0.31 -0.75 4.34 4.09 3n5lB1 ALA 71 HB3 0.03 0.04 -0.00 -0.04 1.41 1.44 3n5lB1 GLY 72 H 0.12 0.10 -0.47 -0.55 8.43 7.63 3n5lB1 GLY 72 HA2 0.14 0.12 0.33 -0.51 4.01 4.09 3n5lB1 GLY 72 HA3 0.16 0.01 0.21 -0.51 4.01 3.88 3n5lB1 ILE 73 H 0.17 0.22 -0.27 -0.55 8.25 7.83 3n5lB1 ILE 73 HA 0.11 0.12 0.43 -0.75 4.18 4.09 3n5lB1 ILE 73 HB 0.19 0.04 0.03 -0.04 1.89 2.11 3n5lB1 ILE 73 HG12 0.15 -0.03 -0.01 -0.04 1.49 1.55 3n5lB1 ILE 73 HG13 0.01 -0.08 -0.22 -0.04 1.21 0.88 3n5lB1 ILE 73 HG23 -0.20 0.02 -0.20 -0.04 0.93 0.50 3n5lB1 ILE 73 HD13 0.26 0.01 -0.23 -0.04 0.88 0.87 3n5lB1 ILE 74 H 0.15 0.24 -0.13 -0.55 8.25 7.96 3n5lB1 ILE 74 HA 0.09 0.05 0.20 -0.75 4.18 3.77 3n5lB1 ILE 74 HB 0.03 -0.02 0.06 -0.04 1.89 1.92 3n5lB1 ILE 74 HG12 -0.26 0.10 -0.10 -0.04 1.49 1.19 3n5lB1 ILE 74 HG13 0.08 -0.03 -0.05 -0.04 1.21 1.17 3n5lB1 ILE 74 HG23 -0.07 0.01 -0.28 -0.04 0.93 0.55 3n5lB1 ILE 74 HD13 -0.04 -0.06 -0.13 -0.04 0.88 0.60 3n5lB1 GLN 75 H 0.08 0.53 -0.10 -0.55 8.47 8.43 3n5lB1 GLN 75 HA 0.08 0.09 0.40 -0.75 4.36 4.18 3n5lB1 GLN 75 HB2 0.13 -0.02 0.03 -0.04 2.15 2.25 3n5lB1 GLN 75 HB3 0.21 -0.01 -0.05 -0.04 2.02 2.12 3n5lB1 GLN 75 HG2 0.07 0.01 0.02 -0.04 2.40 2.45 3n5lB1 GLN 75 HG3 0.10 -0.07 -0.05 -0.04 2.39 2.32 3n5lB1 GLN 75 HE21 0.02 0.05 -0.09 -0.04 6.97 6.91 3n5lB1 GLN 75 HE22 0.02 -0.09 -0.11 -0.04 7.69 7.48 3n5lB1 GLY 76 H 0.08 0.29 -0.48 -0.55 8.43 7.77 3n5lB1 GLY 76 HA2 0.07 -0.01 0.26 -0.51 4.01 3.82 3n5lB1 GLY 76 HA3 -0.20 0.07 0.15 -0.51 4.01 3.52 3n5lB1 ARG 78 HA -0.23 -0.07 0.39 -0.75 4.34 3.68 3n5lB1 ARG 78 HB2 -0.15 -0.03 0.10 -0.04 1.90 1.79 3n5lB1 ARG 78 HB3 -0.19 0.08 0.10 -0.04 1.80 1.75 3n5lB1 ARG 78 HG2 -0.87 -0.04 -0.11 -0.04 1.67 0.61 3n5lB1 ARG 78 HG3 -0.24 0.12 0.20 -0.04 1.67 1.71 3n5lB1 ARG 78 HD2 -0.12 -0.04 -0.01 -0.04 3.22 3.01 3n5lB1 ARG 78 HD3 -0.22 -0.05 -0.02 -0.04 3.22 2.89 3n5lB1 PHE 79 H 0.09 0.43 -0.90 -0.55 8.34 7.41 3n5lB1 PHE 79 HA 0.05 0.15 0.88 -0.75 4.62 4.95 3n5lB1 PHE 79 HB2 0.01 0.04 0.09 -0.04 3.15 3.25 3n5lB1 PHE 79 HB3 0.02 -0.07 0.19 -0.04 3.06 3.16 3n5lB1 PHE 79 HD2 0.02 0.13 -0.01 -0.04 7.28 7.38 3n5lB1 PHE 79 HE2 0.02 -0.05 -0.03 -0.04 7.38 7.27 3n5lB1 PHE 79 HZ 0.02 -0.05 -0.03 -0.04 7.32 7.21 3n5lB1 ASP 80 H 0.02 0.23 -0.02 -0.55 8.40 8.08 3n5lB1 ASP 80 HA -0.00 0.06 0.26 -0.75 4.63 4.19 3n5lB1 ASP 80 HB2 0.06 0.14 -0.11 -0.04 2.71 2.76 3n5lB1 ASP 80 HB3 0.02 -0.06 0.16 -0.04 2.70 2.77 3n5lB1 LYS 81 H -0.01 0.57 -0.19 -0.55 8.42 8.24 3n5lB1 LYS 81 HA -0.01 0.12 0.74 -0.75 4.32 4.42 3n5lB1 LYS 81 HB2 -0.02 0.04 0.07 -0.04 1.87 1.92 3n5lB1 LYS 81 HB3 0.11 -0.09 0.09 -0.04 1.79 1.85 3n5lB1 LYS 81 HG2 0.08 -0.03 -0.01 -0.04 1.46 1.46 3n5lB1 LYS 81 HG3 0.10 0.22 -0.17 -0.04 1.46 1.56 3n5lB1 LYS 81 HD2 0.12 0.01 -0.02 -0.04 1.69 1.76 3n5lB1 LYS 81 HD3 0.14 -0.07 -0.01 -0.04 1.68 1.70 3n5lB1 LYS 81 HE2 0.04 -0.03 -0.00 -0.04 2.99 2.96 3n5lB1 LYS 81 HE3 0.04 0.09 0.00 -0.04 2.99 3.08 3n5lB1 VAL 82 H -0.20 0.31 -0.06 -0.55 8.24 7.73 3n5lB1 VAL 82 HA -0.34 0.13 0.74 -0.75 4.13 3.91 3n5lB1 VAL 82 HB -0.31 0.05 -0.04 -0.04 2.12 1.78 3n5lB1 VAL 82 HG13 -0.32 -0.03 -0.20 -0.04 0.97 0.38 3n5lB1 VAL 82 HG23 -1.16 -0.02 -0.15 -0.04 0.95 -0.42 3n5lB1 ASP 83 H -0.16 0.57 0.28 -0.55 8.40 8.54 3n5lB1 ASP 83 HA -0.10 0.15 0.73 -0.75 4.63 4.66 3n5lB1 ASP 83 HB2 -0.11 0.00 0.08 -0.04 2.71 2.65 3n5lB1 ASP 83 HB3 -0.12 -0.03 0.05 -0.04 2.70 2.55 3n5lB1 ILE 84 H -0.22 0.42 0.29 -0.55 8.25 8.20 3n5lB1 ILE 84 HA -0.08 0.32 0.80 -0.75 4.18 4.46 3n5lB1 ILE 84 HB 0.03 0.06 -0.06 -0.04 1.89 1.87 3n5lB1 ILE 84 HG12 -0.56 -0.04 -0.25 -0.04 1.49 0.60 3n5lB1 ILE 84 HG13 0.05 0.05 -0.12 -0.04 1.21 1.15 3n5lB1 ILE 84 HG23 -0.25 -0.03 -0.13 -0.04 0.93 0.48 3n5lB1 ILE 84 HD13 0.28 -0.01 -0.16 -0.04 0.88 0.96 3n5lB1 ALA 85 H -0.30 0.66 0.32 -0.55 8.40 8.53 3n5lB1 ALA 85 HA -0.58 0.25 0.89 -0.75 4.34 4.15 3n5lB1 ALA 85 HB3 -0.86 0.00 -0.17 -0.04 1.41 0.35 3n5lB1 TRP 86 H 0.11 0.63 0.28 -0.55 7.97 8.44 3n5lB1 TRP 86 HA 0.01 0.18 0.88 -0.75 4.62 4.93 3n5lB1 TRP 86 HB2 0.65 0.05 0.08 -0.04 3.23 3.97 3n5lB1 TRP 86 HB3 0.11 -0.01 0.26 -0.04 3.23 3.55 3n5lB1 TRP 86 HD1 0.21 0.09 -0.09 -0.04 7.22 7.38 3n5lB1 TRP 86 HE1 0.39 -0.03 -0.08 -0.04 10.20 10.45 3n5lB1 TRP 86 HE3 -0.05 -0.07 0.11 -0.04 7.59 7.53 3n5lB1 TRP 86 HZ2 0.24 -0.01 -0.07 -0.04 7.44 7.56 3n5lB1 TRP 86 HZ3 0.15 0.09 0.01 -0.04 7.13 7.34 3n5lB1 TRP 86 HH2 0.20 -0.07 -0.05 -0.04 7.19 7.23 3n5lB1 TYR 87 H -0.15 0.60 0.17 -0.55 8.29 8.36 3n5lB1 TYR 87 HA -0.57 0.02 0.87 -0.75 4.56 4.13 3n5lB1 TYR 87 HB2 -0.20 0.09 -0.11 -0.04 3.06 2.80 3n5lB1 TYR 87 HB3 -0.22 0.03 -0.10 -0.04 2.98 2.65 3n5lB1 TYR 87 HD2 -0.19 -0.07 -0.17 -0.04 7.15 6.69 3n5lB1 TYR 87 HE2 -0.11 -0.01 -0.25 -0.04 6.85 6.44 3n5lB1 GLY 88 H -0.35 0.01 0.14 -0.55 8.43 7.69 3n5lB1 GLY 88 HA2 -0.10 0.23 0.76 -0.51 4.01 4.39 3n5lB1 GLY 88 HA3 -0.03 -0.14 0.41 -0.51 4.01 3.75 3n5lB1 ASN 89 H 0.08 0.13 0.17 -0.55 8.53 8.36 3n5lB1 ASN 89 HA -0.02 0.17 0.25 -0.75 4.76 4.41 3n5lB1 ASN 89 HB2 0.06 -0.11 0.17 -0.04 2.88 2.96 3n5lB1 ASN 89 HB3 0.01 0.06 0.01 -0.04 2.79 2.83 3n5lB1 ASN 89 HD21 0.06 0.34 -0.37 -0.04 7.03 7.02 3n5lB1 ASN 89 HD22 0.14 -0.16 -0.02 -0.04 7.74 7.65 3n5lB1 LYS 90 H 0.06 -0.11 -0.03 -0.55 8.42 7.79 3n5lB1 LYS 90 HA -0.01 0.17 0.35 -0.75 4.32 4.08 3n5lB1 LYS 90 HB2 0.07 -0.05 -0.06 -0.04 1.87 1.80 3n5lB1 LYS 90 HB3 0.08 -0.06 -0.25 -0.04 1.79 1.53 3n5lB1 LYS 90 HG2 -0.01 0.04 -0.30 -0.04 1.46 1.16 3n5lB1 LYS 90 HG3 0.00 0.07 -0.01 -0.04 1.46 1.48 3n5lB1 LYS 90 HD2 0.08 -0.04 -0.08 -0.04 1.69 1.62 3n5lB1 LYS 90 HD3 0.04 -0.08 -0.26 -0.04 1.68 1.34 3n5lB1 LYS 90 HE2 -0.04 -0.07 -0.05 -0.04 2.99 2.80 3n5lB1 LYS 90 HE3 0.00 0.01 -0.03 -0.04 2.99 2.93 3n5lB1 ALA 91 H 0.01 -0.12 -0.25 -0.55 8.40 7.49 3n5lB1 ALA 91 HA -0.13 0.09 0.42 -0.75 4.34 3.97 3n5lB1 ALA 91 HB3 -0.05 -0.03 0.04 -0.04 1.41 1.33 3n5lB1 ALA 92 H -0.20 0.48 -0.29 -0.55 8.40 7.85 3n5lB1 ALA 92 HA -0.55 -0.00 0.22 -0.75 4.34 3.25 3n5lB1 ALA 92 HB3 -0.09 0.03 -0.02 -0.04 1.41 1.30 3n5lB1 GLU 94 HA -0.09 -0.06 0.31 -0.75 4.29 3.70 3n5lB1 GLU 94 HB2 -0.16 0.06 0.02 -0.04 2.09 1.97 3n5lB1 GLU 94 HB3 -0.09 -0.05 -0.04 -0.04 1.99 1.76 3n5lB1 GLU 94 HG2 -0.08 0.29 0.11 -0.04 2.34 2.62 3n5lB1 GLU 94 HG3 -0.06 -0.14 -0.04 -0.04 2.34 2.06 3n5lB1 ALA 95 H -0.32 0.61 -1.03 -0.55 8.40 7.12 3n5lB1 ALA 95 HA -0.17 0.04 0.45 -0.75 4.34 3.91 3n5lB1 ALA 95 HB3 -0.39 0.02 -0.05 -0.04 1.41 0.95 3n5lB1 VAL 96 H -0.14 0.76 0.26 -0.55 8.24 8.57 3n5lB1 VAL 96 HA -0.04 0.14 0.55 -0.75 4.13 4.03 3n5lB1 VAL 96 HB -0.07 0.00 0.00 -0.04 2.12 2.02 3n5lB1 VAL 96 HG13 -0.03 0.01 -0.10 -0.04 0.97 0.82 3n5lB1 VAL 96 HG23 -0.06 0.05 -0.08 -0.04 0.95 0.81 3n5lB1 ASP 97 H -0.07 0.13 -0.30 -0.55 8.40 7.60 3n5lB1 ASP 97 HA -0.03 0.14 0.47 -0.75 4.63 4.46 3n5lB1 ASP 97 HB2 -0.05 0.05 0.06 -0.04 2.71 2.72 3n5lB1 ASP 97 HB3 -0.04 -0.00 0.02 -0.04 2.70 2.64 3n5lB1 ARG 98 H -0.07 0.37 -0.05 -0.55 8.46 8.16 3n5lB1 ARG 98 HA -0.04 0.00 0.95 -0.75 4.34 4.50 3n5lB1 ARG 98 HB2 -0.06 0.00 -0.03 -0.04 1.90 1.77 3n5lB1 ARG 98 HB3 -0.04 0.00 0.08 -0.04 1.80 1.79 3n5lB1 ARG 98 HG2 -0.04 0.00 -0.27 -0.04 1.67 1.32 3n5lB1 ARG 98 HG3 -0.05 0.06 -0.03 -0.04 1.67 1.60 3n5lB1 ARG 98 HD2 -0.02 -0.01 -0.03 -0.04 3.22 3.11 3n5lB1 ARG 98 HD3 -0.03 0.00 -0.05 -0.04 3.22 3.11 3n5lB1 ALA 99 H -0.08 0.34 0.08 -0.55 8.40 8.19 3n5lB1 ALA 99 HA -0.13 0.22 0.96 -0.75 4.34 4.64 3n5lB1 ALA 99 HB3 -0.15 0.01 0.14 -0.04 1.41 1.37 3n5lB1 HIS 100 H 0.03 0.09 -0.15 -0.55 8.41 7.84 3n5lB1 HIS 100 HA -0.02 0.10 0.34 -0.75 4.63 4.30 3n5lB1 HIS 100 HB2 -0.02 -0.08 0.21 -0.04 3.26 3.33 3n5lB1 HIS 100 HB3 -0.04 0.02 0.05 -0.04 3.20 3.19 3n5lB1 HIS 100 HD2 -0.03 -0.34 0.11 -0.04 6.97 6.67 3n5lB1 HIS 100 HE1 -0.13 0.28 -0.01 -0.04 7.75 7.85 3n5lB1 GLY 101 H -0.05 0.33 -0.09 -0.55 8.43 8.08 3n5lB1 GLY 101 HA2 0.03 0.25 0.53 -0.51 4.01 4.31 3n5lB1 GLY 101 HA3 -0.02 -0.11 -0.06 -0.51 4.01 3.32 3n5lB1 GLU 102 H 0.10 0.54 0.26 -0.55 8.60 8.94 3n5lB1 GLU 102 HA 0.01 0.06 0.68 -0.75 4.29 4.28 3n5lB1 GLU 102 HB2 0.19 0.08 -0.11 -0.04 2.09 2.22 3n5lB1 GLU 102 HB3 0.26 -0.01 0.02 -0.04 1.99 2.21 3n5lB1 GLU 102 HG2 -0.03 0.15 -0.23 -0.04 2.34 2.19 3n5lB1 GLU 102 HG3 0.06 -0.07 0.10 -0.04 2.34 2.39 3n5lB1 ILE 103 H -0.08 0.08 0.09 -0.55 8.25 7.79 3n5lB1 ILE 103 HA -0.25 0.20 0.73 -0.75 4.18 4.11 3n5lB1 ILE 103 HB -0.11 -0.17 -0.29 -0.04 1.89 1.28 3n5lB1 ILE 103 HG12 -0.12 0.02 -0.12 -0.04 1.49 1.24 3n5lB1 ILE 103 HG13 -0.09 -0.05 -0.07 -0.04 1.21 0.96 3n5lB1 ILE 103 HG23 -0.19 0.05 -0.31 -0.04 0.93 0.44 3n5lB1 ILE 103 HD13 -0.08 0.00 -0.04 -0.04 0.88 0.72 3n5lB1 PHE 104 H -0.67 0.36 0.37 -0.55 8.34 7.86 3n5lB1 PHE 104 HA -0.30 0.29 0.94 -0.75 4.62 4.80 3n5lB1 PHE 104 HB2 -0.67 0.00 0.13 -0.04 3.15 2.57 3n5lB1 PHE 104 HB3 -1.71 0.01 -0.09 -0.04 3.06 1.23 3n5lB1 PHE 104 HD2 -0.87 0.00 -0.11 -0.04 7.28 6.26 3n5lB1 PHE 104 HE2 -0.48 -0.01 -0.30 -0.04 7.38 6.56 3n5lB1 PHE 104 HZ -0.81 -0.01 -0.18 -0.04 7.32 6.29 3n5lB1 ALA 105 H -0.79 0.23 0.32 -0.55 8.40 7.60 3n5lB1 ALA 105 HA -0.07 0.21 0.88 -0.75 4.34 4.61 3n5lB1 ALA 105 HB3 -0.69 0.00 -0.12 -0.04 1.41 0.57 3n5lB1 GLN 106 H -0.03 0.79 0.31 -0.55 8.47 9.00 3n5lB1 GLN 106 HA -0.13 0.07 0.86 -0.75 4.36 4.41 3n5lB1 GLN 106 HB2 -0.09 -0.08 -0.19 -0.04 2.15 1.75 3n5lB1 GLN 106 HB3 -0.06 0.04 -0.08 -0.04 2.02 1.88 3n5lB1 GLN 106 HG2 -0.06 0.26 -0.17 -0.04 2.40 2.38 3n5lB1 GLN 106 HG3 -0.05 0.07 -0.29 -0.04 2.39 2.07 3n5lB1 GLN 106 HE21 -0.03 -0.07 0.04 -0.04 6.97 6.87 3n5lB1 GLN 106 HE22 -0.02 0.47 0.00 -0.04 7.69 8.10 3n5lB1 THR 107 H -0.13 0.62 0.19 -0.55 8.28 8.41 3n5lB1 THR 107 HA -0.40 0.18 0.71 -0.75 4.39 4.13 3n5lB1 THR 107 HB -1.61 0.04 0.02 -0.04 4.32 2.74 3n5lB1 THR 107 HG23 -0.72 0.01 -0.07 -0.04 1.22 0.40 3n5lB1 VAL 108 H -0.35 0.42 0.30 -0.55 8.24 8.06 3n5lB1 VAL 108 HA -0.05 0.14 0.87 -0.75 4.13 4.34 3n5lB1 VAL 108 HB -0.09 -0.07 0.08 -0.04 2.12 2.00 3n5lB1 VAL 108 HG13 -0.02 0.05 -0.09 -0.04 0.97 0.87 3n5lB1 VAL 108 HG23 -0.06 0.02 -0.26 -0.04 0.95 0.62 3n5lB1 ALA 109 H 0.03 0.25 0.11 -0.55 8.40 8.25 3n5lB1 ALA 109 HA 0.18 0.23 0.47 -0.75 4.34 4.47 3n5lB1 ALA 109 HB3 0.07 0.01 0.14 -0.04 1.41 1.58 3n5lB1 ALA 110 H 0.07 0.68 0.13 -0.55 8.40 8.73 3n5lB1 ALA 110 HA 0.01 0.10 0.10 -0.75 4.34 3.79 3n5lB1 ALA 110 HB3 -0.03 0.00 -0.20 -0.04 1.41 1.14 3n5lB1 SER 111 H 0.04 0.02 -0.25 -0.55 8.46 7.72 3n5lB1 SER 111 HA 0.02 0.15 0.37 -0.75 4.49 4.28 3n5lB1 SER 111 HB2 0.06 0.06 0.09 -0.04 3.95 4.11 3n5lB1 SER 111 HB3 0.05 0.02 0.07 -0.04 3.93 4.04 3n5lB1 GLY 112 H 0.03 0.46 -0.56 -0.55 8.43 7.82 3n5lB1 GLY 112 HA2 0.01 0.06 0.26 -0.51 4.01 3.84 3n5lB1 GLY 112 HA3 0.02 0.13 0.64 -0.51 4.01 4.29 3n5lB1 ALA 113 H 0.07 -0.07 -0.40 -0.55 8.40 7.45 3n5lB1 ALA 113 HA 0.09 0.13 0.43 -0.75 4.34 4.24 3n5lB1 ALA 113 HB3 0.14 -0.00 0.09 -0.04 1.41 1.60 3n5lB1 PRO 114 HA -0.03 0.14 0.53 -0.51 4.44 4.57 3n5lB1 PRO 114 HB2 -0.05 -0.00 0.09 -0.04 2.28 2.28 3n5lB1 PRO 114 HB3 -0.01 0.06 0.13 -0.04 2.02 2.16 3n5lB1 PRO 114 HG2 -0.03 -0.01 -0.04 -0.04 2.03 1.91 3n5lB1 PRO 114 HG3 0.03 0.05 0.06 -0.04 2.03 2.12 3n5lB1 PRO 114 HD2 0.09 0.05 0.18 -0.04 3.68 3.95 3n5lB1 PRO 114 HD3 0.06 0.19 0.21 -0.04 3.65 4.07 3n5lB1 GLY 115 H -0.18 0.18 -0.41 -0.55 8.43 7.47 3n5lB1 GLY 115 HA2 -0.07 -0.04 0.25 -0.51 4.01 3.64 3n5lB1 GLY 115 HA3 -0.27 0.22 0.52 -0.51 4.01 3.96 3n5lB1 TYR 116 H -0.44 0.63 0.31 -0.55 8.29 8.23 3n5lB1 TYR 116 HA -0.79 0.20 0.78 -0.75 4.56 4.00 3n5lB1 TYR 116 HB2 -0.02 -0.15 0.19 -0.04 3.06 3.04 3n5lB1 TYR 116 HB3 -0.09 0.09 -0.14 -0.04 2.98 2.79 3n5lB1 TYR 116 HD2 -0.04 -0.01 -0.07 -0.04 7.15 6.99 3n5lB1 TYR 116 HE2 0.02 0.07 -0.05 -0.04 6.85 6.85 3n5lB1 TRP 117 H 0.36 0.08 0.25 -0.55 7.97 8.12 3n5lB1 TRP 117 HA -0.24 0.28 1.06 -0.75 4.62 4.95 3n5lB1 TRP 117 HB2 -0.08 -0.06 0.02 -0.04 3.23 3.07 3n5lB1 TRP 117 HB3 -0.18 0.15 0.01 -0.04 3.23 3.17 3n5lB1 TRP 117 HD1 -0.18 0.33 -0.32 -0.04 7.22 7.01 3n5lB1 TRP 117 HE1 -0.09 -0.02 -0.09 -0.04 10.20 9.96 3n5lB1 TRP 117 HE3 0.01 -0.12 0.04 -0.04 7.59 7.48 3n5lB1 TRP 117 HZ2 -0.03 0.03 -0.08 -0.04 7.44 7.32 3n5lB1 TRP 117 HZ3 0.02 0.02 0.02 -0.04 7.13 7.15 3n5lB1 TRP 117 HH2 -0.00 0.01 -0.03 -0.04 7.19 7.13 3n5lB1 SER 118 H 0.02 0.24 0.21 -0.55 8.46 8.39 3n5lB1 SER 118 HA 0.19 0.09 0.89 -0.75 4.49 4.91 3n5lB1 SER 118 HB2 0.20 -0.15 0.24 -0.04 3.95 4.20 3n5lB1 SER 118 HB3 0.22 -0.01 0.17 -0.04 3.93 4.27 3n5lB1 LEU 119 H 0.28 0.56 0.24 -0.55 8.37 8.90 3n5lB1 LEU 119 HA 0.19 0.36 0.97 -0.75 4.35 5.11 3n5lB1 LEU 119 HB2 0.28 -0.17 -0.25 -0.04 1.64 1.46 3n5lB1 LEU 119 HB3 0.21 0.14 -0.11 -0.04 1.64 1.84 3n5lB1 LEU 119 HG 0.10 -0.15 -0.43 -0.04 1.64 1.12 3n5lB1 LEU 119 HD13 0.07 0.00 -0.28 -0.04 0.93 0.68 3n5lB1 LEU 119 HD23 0.01 0.05 -0.06 -0.04 0.89 0.86 3n5lB1 LEU 120 H 0.49 0.45 0.20 -0.55 8.37 8.96 3n5lB1 LEU 120 HA 0.31 0.33 0.82 -0.75 4.35 5.06 3n5lB1 LEU 120 HB2 0.33 -0.08 0.03 -0.04 1.64 1.87 3n5lB1 LEU 120 HB3 0.19 0.07 -0.09 -0.04 1.64 1.78 3n5lB1 LEU 120 HG 0.25 -0.08 -0.15 -0.04 1.64 1.62 3n5lB1 LEU 120 HD13 -0.27 0.01 -0.13 -0.04 0.93 0.50 3n5lB1 LEU 120 HD23 0.26 0.02 -0.15 -0.04 0.89 0.98 3n5lB1 ILE 121 H 0.21 0.64 0.24 -0.55 8.25 8.79 3n5lB1 ILE 121 HA 0.14 0.31 1.05 -0.75 4.18 4.93 3n5lB1 ILE 121 HB 0.08 0.10 -0.08 -0.04 1.89 1.95 3n5lB1 ILE 121 HG12 0.18 0.00 -0.24 -0.04 1.49 1.40 3n5lB1 ILE 121 HG13 0.07 -0.07 -0.06 -0.04 1.21 1.11 3n5lB1 ILE 121 HG23 0.25 -0.03 -0.30 -0.04 0.93 0.81 3n5lB1 ILE 121 HD13 -0.21 -0.00 -0.22 -0.04 0.88 0.41 3n5lB1 ALA 122 H 0.08 0.63 0.34 -0.55 8.40 8.91 3n5lB1 ALA 122 HA 0.06 0.26 0.76 -0.75 4.34 4.66 3n5lB1 ALA 122 HB3 0.06 -0.01 0.07 -0.04 1.41 1.50 3n5lB1 ASN 123 H 0.04 0.20 0.23 -0.55 8.53 8.44 3n5lB1 ASN 123 HA 0.02 0.29 0.81 -0.75 4.76 5.13 3n5lB1 ASN 123 HB2 0.02 0.19 0.18 -0.04 2.88 3.23 3n5lB1 ASN 123 HB3 0.02 -0.14 0.19 -0.04 2.79 2.82 3n5lB1 ASN 123 HD21 0.01 0.03 0.18 -0.04 7.03 7.20 3n5lB1 ASN 123 HD22 0.01 0.39 0.21 -0.04 7.74 8.31 3n5lB1 LYS 124 H 0.02 0.83 0.27 -0.55 8.42 8.99 3n5lB1 LYS 124 HA 0.03 0.07 0.35 -0.75 4.32 4.01 3n5lB1 LYS 124 HB2 0.02 -0.04 0.05 -0.04 1.87 1.86 3n5lB1 LYS 124 HB3 0.02 0.09 -0.13 -0.04 1.79 1.73 3n5lB1 LYS 124 HG2 0.02 0.04 0.12 -0.04 1.46 1.60 3n5lB1 LYS 124 HG3 0.02 -0.05 -0.17 -0.04 1.46 1.21 3n5lB1 LYS 124 HD2 0.02 -0.06 -0.01 -0.04 1.69 1.59 3n5lB1 LYS 124 HD3 0.02 0.31 0.08 -0.04 1.68 2.05 3n5lB1 ASP 125 H 0.02 0.04 -0.32 -0.55 8.40 7.59 3n5lB1 ASP 125 HA 0.01 0.11 0.49 -0.75 4.63 4.49 3n5lB1 ASP 125 HB2 0.01 -0.01 0.01 -0.04 2.71 2.69 3n5lB1 ASP 125 HB3 0.01 -0.03 0.07 -0.04 2.70 2.71 3n5lB1 SER 126 H 0.02 0.43 -0.29 -0.55 8.46 8.08 3n5lB1 SER 126 HA 0.02 0.10 0.57 -0.75 4.49 4.43 3n5lB1 SER 126 HB2 0.03 -0.05 0.15 -0.04 3.95 4.04 3n5lB1 SER 126 HB3 0.03 0.02 0.15 -0.04 3.93 4.09 3n5lB1 LYS 127 H 0.02 0.11 0.14 -0.55 8.42 8.14 3n5lB1 LYS 127 HA 0.02 0.23 0.57 -0.75 4.32 4.39 3n5lB1 LYS 127 HB2 0.02 -0.02 0.09 -0.04 1.87 1.92 3n5lB1 LYS 127 HB3 0.02 -0.02 0.14 -0.04 1.79 1.89 3n5lB1 LYS 127 HG2 0.01 0.07 -0.01 -0.04 1.46 1.48 3n5lB1 LYS 127 HG3 0.02 0.01 0.02 -0.04 1.46 1.47 3n5lB1 LYS 127 HD2 0.01 -0.01 0.02 -0.04 1.69 1.67 3n5lB1 LYS 127 HD3 0.01 -0.02 0.02 -0.04 1.68 1.66 3n5lB1 LYS 127 HE2 0.01 0.01 -0.00 -0.04 2.99 2.97 3n5lB1 LYS 127 HE3 0.01 0.03 0.01 -0.04 2.99 3.00 3n5lB1 ILE 128 H 0.03 0.07 -0.30 -0.55 8.25 7.51 3n5lB1 ILE 128 HA 0.03 0.00 0.58 -0.75 4.18 4.04 3n5lB1 ILE 128 HB 0.05 0.00 0.10 -0.04 1.89 2.00 3n5lB1 ILE 128 HG12 0.04 0.00 -0.02 -0.04 1.49 1.47 3n5lB1 ILE 128 HG13 0.06 0.00 -0.07 -0.04 1.21 1.16 3n5lB1 ILE 128 HG23 0.06 -0.03 -0.16 -0.04 0.93 0.75 3n5lB1 ILE 128 HD13 0.04 0.01 -0.09 -0.04 0.88 0.80 3n5lB1 ASP 129 H 0.03 0.13 0.22 -0.55 8.40 8.23 3n5lB1 ASP 129 HA 0.04 0.28 0.80 -0.75 4.63 5.00 3n5lB1 ASP 129 HB2 0.02 -0.04 0.04 -0.04 2.71 2.69 3n5lB1 ASP 129 HB3 0.02 0.01 0.10 -0.04 2.70 2.79 3n5lB1 SER 130 H 0.04 0.12 0.09 -0.55 8.46 8.16 3n5lB1 SER 130 HA 0.07 0.36 0.85 -0.75 4.49 5.01 3n5lB1 SER 130 HB2 0.04 -0.03 0.13 -0.04 3.95 4.05 3n5lB1 SER 130 HB3 0.03 0.17 -0.21 -0.04 3.93 3.88 3n5lB1 LEU 131 H 0.08 0.27 0.19 -0.55 8.37 8.36 3n5lB1 LEU 131 HA -0.03 0.07 0.33 -0.75 4.35 3.97 3n5lB1 LEU 131 HB2 0.06 0.04 0.13 -0.04 1.64 1.84 3n5lB1 LEU 131 HB3 0.01 -0.05 0.14 -0.04 1.64 1.69 3n5lB1 LEU 131 HG -0.19 0.06 -0.15 -0.04 1.64 1.32 3n5lB1 LEU 131 HD13 -0.43 -0.01 -0.02 -0.04 0.93 0.44 3n5lB1 LEU 131 HD23 -0.28 0.01 -0.01 -0.04 0.89 0.57 3n5lB1 GLU 132 H 0.00 0.03 -0.11 -0.55 8.60 7.98 3n5lB1 GLU 132 HA -0.04 0.15 0.37 -0.75 4.29 4.01 3n5lB1 GLU 132 HB2 -0.01 0.01 0.07 -0.04 2.09 2.12 3n5lB1 GLU 132 HB3 -0.00 -0.05 -0.01 -0.04 1.99 1.88 3n5lB1 GLU 132 HG2 -0.03 0.03 0.04 -0.04 2.34 2.34 3n5lB1 GLU 132 HG3 -0.02 0.02 -0.02 -0.04 2.34 2.28 3n5lB1 ASP 133 H 0.01 -0.01 -0.34 -0.55 8.40 7.51 3n5lB1 ASP 133 HA 0.00 0.07 0.31 -0.75 4.63 4.26 3n5lB1 ASP 133 HB2 0.03 0.02 0.16 -0.04 2.71 2.87 3n5lB1 ASP 133 HB3 0.02 0.01 0.13 -0.04 2.70 2.82 3n5lB1 LEU 135 HA -0.15 -0.11 0.26 -0.75 4.35 3.60 3n5lB1 LEU 135 HB2 -0.09 -0.01 0.05 -0.04 1.64 1.55 3n5lB1 LEU 135 HB3 -0.11 0.01 -0.03 -0.04 1.64 1.46 3n5lB1 LEU 135 HG -0.16 0.12 0.05 -0.04 1.64 1.61 3n5lB1 LEU 135 HD13 -0.18 -0.00 -0.07 -0.04 0.93 0.63 3n5lB1 LEU 135 HD23 -0.17 -0.03 -0.07 -0.04 0.89 0.58 3n5lB1 ALA 136 H -0.04 0.73 -0.45 -0.55 8.40 8.09 3n5lB1 ALA 136 HA -0.05 0.01 0.39 -0.75 4.34 3.93 3n5lB1 ALA 136 HB3 -0.02 -0.02 0.09 -0.04 1.41 1.42 3n5lB1 ASN 137 H -0.02 0.48 0.12 -0.55 8.53 8.57 3n5lB1 ASN 137 HA -0.01 0.14 0.66 -0.75 4.76 4.79 3n5lB1 ASN 137 HB2 0.03 0.18 0.06 -0.04 2.88 3.11 3n5lB1 ASN 137 HB3 0.03 -0.12 0.11 -0.04 2.79 2.77 3n5lB1 ASN 137 HD21 0.01 -0.06 -0.02 -0.04 7.03 6.92 3n5lB1 ASN 137 HD22 0.01 0.24 0.07 -0.04 7.74 8.03 3n5lB1 ALA 138 H -0.11 0.53 -0.42 -0.55 8.40 7.85 3n5lB1 ALA 138 HA -0.04 -0.06 0.10 -0.75 4.34 3.59 3n5lB1 ALA 138 HB3 -0.65 0.02 -0.07 -0.04 1.41 0.67 3n5lB1 LYS 139 H -0.07 0.14 -0.23 -0.55 8.42 7.71 3n5lB1 LYS 139 HA -0.02 0.24 0.29 -0.75 4.32 4.08 3n5lB1 LYS 139 HB2 -0.01 -0.02 0.07 -0.04 1.87 1.87 3n5lB1 LYS 139 HB3 -0.04 0.08 0.11 -0.04 1.79 1.89 3n5lB1 SER 140 H 0.03 0.53 -0.22 -0.55 8.46 8.26 3n5lB1 SER 140 HA 0.04 0.00 0.87 -0.75 4.49 4.65 3n5lB1 SER 140 HB2 0.03 0.00 0.16 -0.04 3.95 4.11 3n5lB1 SER 140 HB3 0.02 0.00 0.05 -0.04 3.93 3.96 3n5lB1 LEU 141 H 0.16 0.61 -0.07 -0.55 8.37 8.52 3n5lB1 LEU 141 HA 0.10 0.19 0.88 -0.75 4.35 4.77 3n5lB1 LEU 141 HB2 0.41 0.05 -0.06 -0.04 1.64 2.01 3n5lB1 LEU 141 HB3 0.16 -0.05 -0.06 -0.04 1.64 1.65 3n5lB1 LEU 141 HG 0.12 0.17 -0.24 -0.04 1.64 1.65 3n5lB1 LEU 141 HD13 0.17 -0.01 -0.28 -0.04 0.93 0.77 3n5lB1 LEU 141 HD23 0.08 0.01 -0.14 -0.04 0.89 0.79 3n5lB1 THR 142 H 0.07 0.15 0.23 -0.55 8.28 8.17 3n5lB1 THR 142 HA 0.05 0.23 0.95 -0.75 4.39 4.87 3n5lB1 THR 142 HB 0.02 -0.11 0.25 -0.04 4.32 4.44 3n5lB1 THR 142 HG23 -0.02 0.02 -0.14 -0.04 1.22 1.04 3n5lB1 PHE 143 H -0.05 0.68 0.37 -0.55 8.34 8.79 3n5lB1 PHE 143 HA -0.32 0.26 0.90 -0.75 4.62 4.70 3n5lB1 PHE 143 HB2 -1.97 0.05 -0.10 -0.04 3.15 1.09 3n5lB1 PHE 143 HB3 -0.82 0.01 0.15 -0.04 3.06 2.36 3n5lB1 PHE 143 HD2 -0.31 0.04 -0.18 -0.04 7.28 6.79 3n5lB1 PHE 143 HE2 -0.11 -0.03 -0.18 -0.04 7.38 7.02 3n5lB1 PHE 143 HZ 0.22 -0.03 -0.09 -0.04 7.32 7.38 3n5lB1 GLY 144 H -0.20 0.83 0.37 -0.55 8.43 8.89 3n5lB1 GLY 144 HA2 -0.33 0.02 0.80 -0.51 4.01 4.00 3n5lB1 GLY 144 HA3 -0.23 0.01 0.39 -0.51 4.01 3.67 3n5lB1 ASN 145 H -0.69 0.42 0.18 -0.55 8.53 7.89 3n5lB1 ASN 145 HA -0.60 0.03 0.68 -0.75 4.76 4.11 3n5lB1 ASN 145 HB2 -0.55 -0.04 0.12 -0.04 2.88 2.37 3n5lB1 ASN 145 HB3 -0.16 0.10 0.15 -0.04 2.79 2.85 3n5lB1 ASN 145 HD21 -0.25 -0.01 0.05 -0.04 7.03 6.78 3n5lB1 ASN 145 HD22 -0.00 -0.01 0.02 -0.04 7.74 7.71 3n5lB1 GLY 146 H 0.05 0.31 0.24 -0.55 8.43 8.49 3n5lB1 GLY 146 HA2 -0.08 0.29 0.70 -0.51 4.01 4.41 3n5lB1 GLY 146 HA3 0.02 -0.10 0.31 -0.51 4.01 3.73 3n5lB1 ASP 147 H -0.23 0.08 0.11 -0.55 8.40 7.81 3n5lB1 ASP 147 HA -0.20 0.18 0.47 -0.75 4.63 4.33 3n5lB1 ASP 147 HB2 -0.43 0.10 0.07 -0.04 2.71 2.40 3n5lB1 ASP 147 HB3 -0.69 -0.12 0.09 -0.04 2.70 1.94 3n5lB1 PRO 148 HA -1.24 0.15 0.29 -0.51 4.44 3.13 3n5lB1 PRO 148 HB2 -0.39 0.07 -0.01 -0.04 2.28 1.91 3n5lB1 PRO 148 HB3 -0.53 0.11 0.09 -0.04 2.02 1.65 3n5lB1 PRO 148 HG2 -0.18 -0.06 0.04 -0.04 2.03 1.79 3n5lB1 PRO 148 HG3 -0.17 0.13 0.06 -0.04 2.03 2.00 3n5lB1 PRO 148 HD2 -0.18 -0.05 0.20 -0.04 3.68 3.61 3n5lB1 PRO 148 HD3 -0.16 0.29 0.19 -0.04 3.65 3.93 3n5lB1 ASN 149 H -0.24 -0.05 -0.45 -0.55 8.53 7.24 3n5lB1 ASN 149 HA -0.07 0.33 0.66 -0.75 4.76 4.93 3n5lB1 ASN 149 HB2 -0.00 -0.21 -0.02 -0.04 2.88 2.61 3n5lB1 ASN 149 HB3 0.08 0.00 0.04 -0.04 2.79 2.87 3n5lB1 ASN 149 HD21 -0.04 0.14 -0.09 -0.04 7.03 7.00 3n5lB1 ASN 149 HD22 -0.03 -0.25 -0.06 -0.04 7.74 7.37 3n5lB1 SER 150 H -0.11 0.66 -0.39 -0.55 8.46 8.08 3n5lB1 SER 150 HA 0.27 0.04 0.68 -0.75 4.49 4.72 3n5lB1 SER 150 HB2 -0.36 -0.02 0.05 -0.04 3.95 3.57 3n5lB1 SER 150 HB3 0.00 0.23 0.03 -0.04 3.93 4.15 3n5lB1 THR 151 H 0.26 0.09 0.21 -0.55 8.28 8.30 3n5lB1 THR 151 HA 0.17 0.20 0.54 -0.75 4.39 4.55 3n5lB1 THR 151 HB 0.26 0.01 0.21 -0.04 4.32 4.75 3n5lB1 THR 151 HG23 0.10 0.09 0.04 -0.04 1.22 1.40 3n5lB1 SER 152 H 0.36 0.06 0.09 -0.55 8.46 8.42 3n5lB1 SER 152 HA 0.25 0.16 0.54 -0.75 4.49 4.69 3n5lB1 SER 152 HB2 0.27 0.15 0.15 -0.04 3.95 4.48 3n5lB1 SER 152 HB3 0.31 0.03 0.05 -0.04 3.93 4.28 3n5lB1 GLY 153 H 0.36 -0.11 -0.31 -0.55 8.43 7.82 3n5lB1 GLY 153 HA2 0.35 0.21 0.54 -0.51 4.01 4.60 3n5lB1 GLY 153 HA3 0.17 -0.08 0.25 -0.51 4.01 3.84 3n5lB1 TYR 154 H 0.29 0.07 -0.40 -0.55 8.29 7.70 3n5lB1 TYR 154 HA 0.14 0.16 0.88 -0.75 4.56 4.98 3n5lB1 TYR 154 HB2 0.01 0.01 -0.41 -0.04 3.06 2.62 3n5lB1 TYR 154 HB3 0.05 0.13 0.07 -0.04 2.98 3.18 3n5lB1 TYR 154 HD2 0.02 0.04 -0.20 -0.04 7.15 6.98 3n5lB1 TYR 154 HE2 0.01 0.02 -0.03 -0.04 6.85 6.81 3n5lB1 LEU 155 H 0.30 0.43 0.27 -0.55 8.37 8.82 3n5lB1 LEU 155 HA 0.23 0.11 0.34 -0.75 4.35 4.27 3n5lB1 LEU 155 HB2 0.18 0.04 0.11 -0.04 1.64 1.93 3n5lB1 LEU 155 HB3 0.18 -0.05 0.29 -0.04 1.64 2.02 3n5lB1 LEU 155 HG 0.12 0.01 -0.28 -0.04 1.64 1.46 3n5lB1 LEU 155 HD13 0.08 0.01 -0.07 -0.04 0.93 0.91 3n5lB1 LEU 155 HD23 0.05 -0.01 -0.02 -0.04 0.89 0.88 3n5lB1 VAL 156 H 0.24 0.54 0.14 -0.55 8.24 8.61 3n5lB1 VAL 156 HA 0.36 0.08 0.40 -0.75 4.13 4.22 3n5lB1 VAL 156 HB 0.30 0.00 0.17 -0.04 2.12 2.55 3n5lB1 VAL 156 HG13 0.48 0.01 -0.04 -0.04 0.97 1.37 3n5lB1 VAL 156 HG23 0.19 0.00 -0.00 -0.04 0.95 1.10 3n5lB1 PRO 157 HA -0.10 0.03 0.48 -0.51 4.44 4.34 3n5lB1 PRO 157 HB2 0.13 0.06 -0.11 -0.04 2.28 2.32 3n5lB1 PRO 157 HB3 0.08 0.04 -0.03 -0.04 2.02 2.07 3n5lB1 PRO 157 HG2 0.23 0.08 -0.25 -0.04 2.03 2.05 3n5lB1 PRO 157 HG3 0.31 0.13 -0.10 -0.04 2.03 2.34 3n5lB1 PRO 157 HD2 0.28 -0.13 -0.32 -0.04 3.68 3.47 3n5lB1 PRO 157 HD3 0.38 0.17 0.05 -0.04 3.65 4.20 3n5lB1 GLY 158 H 0.13 0.46 -0.35 -0.55 8.43 8.12 3n5lB1 GLY 158 HA2 0.21 -0.04 0.41 -0.51 4.01 4.08 3n5lB1 GLY 158 HA3 0.01 0.15 0.34 -0.51 4.01 4.00 3n5lB1 TYR 159 H 0.19 0.47 -0.24 -0.55 8.29 8.17 3n5lB1 TYR 159 HA -0.03 0.07 0.78 -0.75 4.56 4.62 3n5lB1 TYR 159 HB2 -0.05 0.01 0.10 -0.04 3.06 3.07 3n5lB1 TYR 159 HB3 -0.23 0.03 0.19 -0.04 2.98 2.93 3n5lB1 TYR 159 HD2 -0.80 -0.02 -0.05 -0.04 7.15 6.25 3n5lB1 TYR 159 HE2 -0.15 0.04 -0.10 -0.04 6.85 6.60 3n5lB1 TYR 160 H 0.15 0.62 0.18 -0.55 8.29 8.69 3n5lB1 TYR 160 HA -0.30 0.07 0.19 -0.75 4.56 3.77 3n5lB1 TYR 160 HB2 0.34 -0.02 0.07 -0.04 3.06 3.41 3n5lB1 TYR 160 HB3 0.30 0.01 0.01 -0.04 2.98 3.27 3n5lB1 TYR 160 HD2 0.24 0.05 0.06 -0.04 7.15 7.46 3n5lB1 TYR 160 HE2 0.27 -0.01 0.02 -0.04 6.85 7.09 3n5lB1 VAL 161 H -0.30 0.36 -0.09 -0.55 8.24 7.67 3n5lB1 VAL 161 HA -0.55 0.15 0.75 -0.75 4.13 3.73 3n5lB1 VAL 161 HB -1.01 0.06 0.12 -0.04 2.12 1.26 3n5lB1 VAL 161 HG13 -1.17 0.00 -0.15 -0.04 0.97 -0.38 3n5lB1 VAL 161 HG23 -1.69 -0.03 -0.10 -0.04 0.95 -0.91 3n5lB1 PHE 162 H -0.25 0.40 -0.02 -0.55 8.34 7.92 3n5lB1 PHE 162 HA -0.14 0.08 0.30 -0.75 4.62 4.10 3n5lB1 PHE 162 HB2 -0.09 0.06 0.25 -0.04 3.15 3.32 3n5lB1 PHE 162 HB3 -0.08 0.23 0.16 -0.04 3.06 3.33 3n5lB1 PHE 162 HD2 -0.11 0.03 -0.20 -0.04 7.28 6.97 3n5lB1 PHE 162 HE2 -0.04 -0.01 -0.14 -0.04 7.38 7.14 3n5lB1 PHE 162 HZ -0.78 -0.01 -0.13 -0.04 7.32 6.35 3n5lB1 ALA 163 H 0.02 0.59 0.23 -0.55 8.40 8.70 3n5lB1 ALA 163 HA 0.02 0.02 0.37 -0.75 4.34 3.99 3n5lB1 ALA 163 HB3 0.05 -0.01 0.15 -0.04 1.41 1.56 3n5lB1 LYS 164 H -0.27 0.49 -0.22 -0.55 8.42 7.86 3n5lB1 LYS 164 HA -0.19 0.00 0.31 -0.75 4.32 3.69 3n5lB1 LYS 164 HB2 -0.29 0.16 -0.04 -0.04 1.87 1.66 3n5lB1 LYS 164 HB3 -0.16 -0.02 -0.07 -0.04 1.79 1.50 3n5lB1 LYS 164 HG2 -0.69 -0.06 -0.04 -0.04 1.46 0.63 3n5lB1 LYS 164 HG3 -0.65 -0.07 -0.04 -0.04 1.46 0.66 3n5lB1 LYS 164 HD2 -0.08 -0.01 0.00 -0.04 1.69 1.56 3n5lB1 LYS 164 HD3 -0.13 0.02 0.03 -0.04 1.68 1.56 3n5lB1 LYS 164 HE2 -0.14 -0.01 -0.03 -0.04 2.99 2.78 3n5lB1 LYS 164 HE3 -0.03 -0.04 -0.02 -0.04 2.99 2.86 3n5lB1 ASN 165 H -0.14 0.27 -0.48 -0.55 8.53 7.64 3n5lB1 ASN 165 HA -0.08 0.09 0.67 -0.75 4.76 4.68 3n5lB1 ASN 165 HB2 -0.16 0.23 0.12 -0.04 2.88 3.04 3n5lB1 ASN 165 HB3 -0.11 -0.08 0.10 -0.04 2.79 2.66 3n5lB1 ASN 165 HD21 -0.18 -0.11 0.05 -0.04 7.03 6.76 3n5lB1 ASN 165 HD22 -0.29 0.45 0.21 -0.04 7.74 8.07 3n5lB1 ASN 166 H -0.05 0.38 -0.47 -0.55 8.53 7.84 3n5lB1 ASN 166 HA -0.02 0.03 0.28 -0.75 4.76 4.30 3n5lB1 ASN 166 HB2 -0.03 0.01 -0.05 -0.04 2.88 2.77 3n5lB1 ASN 166 HB3 -0.03 0.08 0.16 -0.04 2.79 2.96 3n5lB1 ASN 166 HD21 -0.02 -0.00 0.08 -0.04 7.03 7.05 3n5lB1 ASN 166 HD22 -0.02 -0.02 0.05 -0.04 7.74 7.70 3n5lB1 VAL 167 H 0.03 0.62 -0.05 -0.55 8.24 8.30 3n5lB1 VAL 167 HA -0.03 0.15 0.81 -0.75 4.13 4.31 3n5lB1 VAL 167 HB 0.12 -0.02 -0.03 -0.04 2.12 2.15 3n5lB1 VAL 167 HG13 -0.05 -0.04 -0.28 -0.04 0.97 0.56 3n5lB1 VAL 167 HG23 -0.07 0.07 -0.21 -0.04 0.95 0.70 3n5lB1 ASP 168 H -0.05 0.22 0.03 -0.55 8.40 8.05 3n5lB1 ASP 168 HA -0.06 0.19 0.69 -0.75 4.63 4.70 3n5lB1 ASP 168 HB2 -0.02 0.12 -0.00 -0.04 2.71 2.76 3n5lB1 ASP 168 HB3 -0.04 0.01 0.14 -0.04 2.70 2.77 3n5lB1 PRO 169 HA -0.09 0.09 0.25 -0.51 4.44 4.17 3n5lB1 PRO 169 HB2 -0.01 0.01 0.00 -0.04 2.28 2.25 3n5lB1 PRO 169 HB3 -1.04 0.06 0.03 -0.04 2.02 1.03 3n5lB1 PRO 169 HG2 -0.23 -0.01 0.09 -0.04 2.03 1.84 3n5lB1 PRO 169 HG3 -0.84 0.05 0.06 -0.04 2.03 1.27 3n5lB1 PRO 169 HD2 -0.18 0.06 0.20 -0.04 3.68 3.72 3n5lB1 PRO 169 HD3 -0.44 0.33 0.21 -0.04 3.65 3.71 3n5lB1 VAL 170 H -0.03 0.11 -0.19 -0.55 8.24 7.57 3n5lB1 VAL 170 HA 0.07 0.02 0.17 -0.75 4.13 3.63 3n5lB1 VAL 170 HB 0.01 -0.01 0.01 -0.04 2.12 2.08 3n5lB1 VAL 170 HG13 0.02 0.02 -0.07 -0.04 0.97 0.90 3n5lB1 VAL 170 HG23 0.02 -0.01 0.00 -0.04 0.95 0.93 3n5lB1 LYS 171 H -0.02 0.09 -0.37 -0.55 8.42 7.57 3n5lB1 LYS 171 HA 0.01 0.20 0.84 -0.75 4.32 4.62 3n5lB1 LYS 171 HB2 -0.03 -0.00 0.04 -0.04 1.87 1.84 3n5lB1 LYS 171 HB3 -0.02 0.02 0.03 -0.04 1.79 1.79 3n5lB1 LYS 171 HG2 -0.00 0.04 -0.07 -0.04 1.46 1.39 3n5lB1 LYS 171 HG3 -0.01 -0.12 -0.09 -0.04 1.46 1.20 3n5lB1 LYS 171 HD2 -0.01 -0.01 -0.01 -0.04 1.69 1.62 3n5lB1 LYS 171 HD3 -0.01 0.04 -0.01 -0.04 1.68 1.66 3n5lB1 LYS 171 HE2 -0.00 0.01 -0.02 -0.04 2.99 2.94 3n5lB1 LYS 171 HE3 -0.00 -0.04 -0.04 -0.04 2.99 2.87 3n5lB1 ALA 172 H -0.07 0.39 -0.02 -0.55 8.40 8.15 3n5lB1 ALA 172 HA -0.12 0.07 0.35 -0.75 4.34 3.88 3n5lB1 ALA 172 HB3 -0.31 -0.05 -0.05 -0.04 1.41 0.96 3n5lB1 PHE 173 H 0.08 0.29 -0.13 -0.55 8.34 8.02 3n5lB1 PHE 173 HA 0.00 0.31 0.49 -0.75 4.62 4.67 3n5lB1 PHE 173 HB2 0.05 -0.02 -0.12 -0.04 3.15 3.03 3n5lB1 PHE 173 HB3 0.07 0.10 0.11 -0.04 3.06 3.30 3n5lB1 PHE 173 HD2 -0.03 0.15 0.01 -0.04 7.28 7.37 3n5lB1 PHE 173 HE2 -0.33 -0.03 -0.14 -0.04 7.38 6.84 3n5lB1 PHE 173 HZ -0.27 0.02 -0.14 -0.04 7.32 6.89 3n5lB1 LYS 174 H 0.21 0.37 0.22 -0.55 8.42 8.67 3n5lB1 LYS 174 HA 0.07 0.00 0.50 -0.75 4.32 4.14 3n5lB1 LYS 174 HB2 0.08 0.00 -0.04 -0.04 1.87 1.87 3n5lB1 LYS 174 HB3 0.09 0.00 -0.15 -0.04 1.79 1.69 3n5lB1 LYS 174 HG2 0.04 -0.07 -0.11 -0.04 1.46 1.28 3n5lB1 LYS 174 HG3 0.04 0.01 0.10 -0.04 1.46 1.58 3n5lB1 LYS 174 HD2 0.04 0.00 0.03 -0.04 1.69 1.72 3n5lB1 LYS 174 HD3 0.04 0.00 -0.08 -0.04 1.68 1.60 3n5lB1 LYS 174 HE2 0.02 -0.04 -0.01 -0.04 2.99 2.92 3n5lB1 LYS 174 HE3 0.02 0.01 0.03 -0.04 2.99 3.02 3n5lB1 ARG 175 H 0.15 0.35 0.09 -0.55 8.46 8.50 3n5lB1 ARG 175 HA 0.08 0.22 0.20 -0.75 4.34 4.09 3n5lB1 ARG 175 HB2 0.03 -0.04 0.05 -0.04 1.90 1.90 3n5lB1 ARG 175 HB3 0.04 0.20 0.06 -0.04 1.80 2.05 3n5lB1 ARG 175 HG2 0.05 -0.06 -0.11 -0.04 1.67 1.51 3n5lB1 ARG 175 HG3 0.02 -0.09 -0.21 -0.04 1.67 1.34 3n5lB1 ARG 175 HD2 0.02 0.01 -0.08 -0.04 3.22 3.12 3n5lB1 ARG 175 HD3 0.01 -0.01 -0.09 -0.04 3.22 3.09 3n5lB1 THR 176 H 0.04 0.28 0.15 -0.55 8.28 8.19 3n5lB1 THR 176 HA -0.04 0.00 1.04 -0.75 4.39 4.64 3n5lB1 THR 176 HB 0.05 0.00 0.03 -0.04 4.32 4.36 3n5lB1 THR 176 HG23 -0.02 -0.02 -0.11 -0.04 1.22 1.03 3n5lB1 LEU 177 H -0.18 0.64 0.43 -0.55 8.37 8.71 3n5lB1 LEU 177 HA -0.06 0.17 0.82 -0.75 4.35 4.53 3n5lB1 LEU 177 HB2 -0.14 0.02 0.07 -0.04 1.64 1.55 3n5lB1 LEU 177 HB3 -0.09 -0.01 -0.01 -0.04 1.64 1.49 3n5lB1 LEU 177 HG -0.04 0.02 -0.04 -0.04 1.64 1.54 3n5lB1 LEU 177 HD13 -0.04 0.03 -0.37 -0.04 0.93 0.51 3n5lB1 LEU 177 HD23 -0.05 0.00 -0.13 -0.04 0.89 0.67 3n5lB1 ASN 178 H -0.07 0.23 0.12 -0.55 8.53 8.27 3n5lB1 ASN 178 HA -0.11 0.36 0.59 -0.75 4.76 4.85 3n5lB1 ASN 178 HB2 -0.05 -0.06 0.07 -0.04 2.88 2.80 3n5lB1 ASN 178 HB3 -0.06 -0.02 -0.12 -0.04 2.79 2.55 3n5lB1 ASN 178 HD21 0.13 -0.07 -0.07 -0.04 7.03 6.98 3n5lB1 ASN 178 HD22 0.06 0.47 -0.03 -0.04 7.74 8.20 3n5lB1 SER 179 H -0.10 0.59 0.14 -0.55 8.46 8.54 3n5lB1 SER 179 HA -0.06 0.11 0.72 -0.75 4.49 4.51 3n5lB1 SER 179 HB2 -0.07 0.09 -0.14 -0.04 3.95 3.79 3n5lB1 SER 179 HB3 -0.04 -0.13 0.04 -0.04 3.93 3.76 3n5lB1 SER 180 H -0.02 0.14 0.16 -0.55 8.46 8.19 3n5lB1 SER 180 HA -0.11 0.01 0.55 -0.75 4.49 4.18 3n5lB1 SER 180 HB2 0.11 0.22 0.21 -0.04 3.95 4.45 3n5lB1 SER 180 HB3 0.04 0.11 0.18 -0.04 3.93 4.22 3n5lB1 HIS 181 H 0.00 0.11 0.23 -0.55 8.41 8.20 3n5lB1 HIS 181 HA 0.26 0.19 0.40 -0.75 4.63 4.74 3n5lB1 HIS 181 HB2 0.30 0.13 0.29 -0.04 3.26 3.94 3n5lB1 HIS 181 HB3 0.53 0.02 0.10 -0.04 3.20 3.81 3n5lB1 HIS 181 HD2 0.36 0.19 -0.07 -0.04 6.97 7.40 3n5lB1 HIS 181 HE1 0.27 -0.15 0.01 -0.04 7.75 7.84 3n5lB1 GLU 182 H 0.27 0.38 0.04 -0.55 8.60 8.75 3n5lB1 GLU 182 HA 0.17 0.09 0.45 -0.75 4.29 4.25 3n5lB1 GLU 182 HB2 0.19 0.16 0.29 -0.04 2.09 2.68 3n5lB1 GLU 182 HB3 0.11 -0.10 0.08 -0.04 1.99 2.04 3n5lB1 GLU 182 HG2 0.06 0.03 -0.09 -0.04 2.34 2.30 3n5lB1 GLU 182 HG3 0.12 0.07 0.06 -0.04 2.34 2.55 3n5lB1 VAL 183 H 0.06 0.01 -0.28 -0.55 8.24 7.49 3n5lB1 VAL 183 HA -0.00 0.07 0.36 -0.75 4.13 3.80 3n5lB1 VAL 183 HB -0.00 -0.08 0.09 -0.04 2.12 2.10 3n5lB1 VAL 183 HG13 -0.02 0.04 -0.12 -0.04 0.97 0.82 3n5lB1 VAL 183 HG23 0.02 -0.00 0.01 -0.04 0.95 0.94 3n5lB1 ASN 184 H -0.00 0.59 -0.20 -0.55 8.53 8.37 3n5lB1 ASN 184 HA -0.07 -0.01 0.38 -0.75 4.76 4.32 3n5lB1 ASN 184 HB2 0.03 0.08 0.14 -0.04 2.88 3.08 3n5lB1 ASN 184 HB3 -0.03 0.06 -0.06 -0.04 2.79 2.72 3n5lB1 ASN 184 HD21 -0.09 0.23 -0.37 -0.04 7.03 6.76 3n5lB1 ASN 184 HD22 0.03 -0.04 -0.16 -0.04 7.74 7.53 3n5lB1 ALA 185 H -0.23 0.49 -0.11 -0.55 8.40 8.00 3n5lB1 ALA 185 HA -0.39 0.07 0.26 -0.75 4.34 3.53 3n5lB1 ALA 185 HB3 -0.98 -0.00 0.05 -0.04 1.41 0.44 3n5lB1 LEU 186 H -0.10 0.55 -0.10 -0.55 8.37 8.17 3n5lB1 LEU 186 HA -0.04 0.03 0.41 -0.75 4.35 4.00 3n5lB1 LEU 186 HB2 -0.02 0.08 0.13 -0.04 1.64 1.79 3n5lB1 LEU 186 HB3 -0.02 -0.01 0.02 -0.04 1.64 1.59 3n5lB1 LEU 186 HG -0.01 0.04 0.05 -0.04 1.64 1.68 3n5lB1 LEU 186 HD13 0.01 -0.03 -0.05 -0.04 0.93 0.82 3n5lB1 LEU 186 HD23 0.00 0.00 -0.01 -0.04 0.89 0.84 3n5lB1 ALA 187 H -0.06 0.52 -0.25 -0.55 8.40 8.06 3n5lB1 ALA 187 HA -0.03 0.00 0.30 -0.75 4.34 3.86 3n5lB1 ALA 187 HB3 -0.04 0.01 0.02 -0.04 1.41 1.35 3n5lB1 VAL 188 H -0.06 0.46 -0.34 -0.55 8.24 7.75 3n5lB1 VAL 188 HA -0.01 0.24 0.58 -0.75 4.13 4.18 3n5lB1 VAL 188 HB -0.06 0.09 -0.02 -0.04 2.12 2.09 3n5lB1 VAL 188 HG13 0.01 0.01 -0.46 -0.04 0.97 0.49 3n5lB1 VAL 188 HG23 -0.02 0.04 -0.28 -0.04 0.95 0.66 3n5lB1 ALA 189 H -0.04 0.49 -0.05 -0.55 8.40 8.25 3n5lB1 ALA 189 HA -0.00 0.06 0.42 -0.75 4.34 4.06 3n5lB1 ALA 189 HB3 -0.02 0.01 0.11 -0.04 1.41 1.47 3n5lB1 ASN 190 H -0.02 0.59 -0.21 -0.55 8.53 8.35 3n5lB1 ASN 190 HA -0.00 0.12 0.59 -0.75 4.76 4.72 3n5lB1 ASN 190 HB2 -0.01 0.05 0.05 -0.04 2.88 2.92 3n5lB1 ASN 190 HB3 -0.01 -0.05 0.13 -0.04 2.79 2.83 3n5lB1 ASN 190 HD21 -0.00 -0.08 -0.03 -0.04 7.03 6.88 3n5lB1 ASN 190 HD22 -0.01 -0.04 -0.08 -0.04 7.74 7.57 3n5lB1 LYS 191 H -0.00 0.36 -0.67 -0.55 8.42 7.55 3n5lB1 LYS 191 HA 0.00 0.13 0.29 -0.75 4.32 3.99 3n5lB1 LYS 191 HB2 0.00 0.09 -0.13 -0.04 1.87 1.79 3n5lB1 LYS 191 HB3 0.01 -0.07 0.13 -0.04 1.79 1.82 3n5lB1 LYS 191 HG2 0.01 0.08 0.01 -0.04 1.46 1.51 3n5lB1 LYS 191 HG3 0.00 0.03 -0.25 -0.04 1.46 1.21 3n5lB1 LYS 191 HD2 0.01 -0.03 -0.05 -0.04 1.69 1.58 3n5lB1 LYS 191 HD3 0.01 -0.04 -0.01 -0.04 1.68 1.60 3n5lB1 LYS 191 HE2 0.01 -0.03 0.02 -0.04 2.99 2.95 3n5lB1 LYS 191 HE3 0.01 0.07 0.01 -0.04 2.99 3.04 3n5lB1 GLN 192 H -0.01 0.33 -0.19 -0.55 8.47 8.05 3n5lB1 GLN 192 HA -0.00 0.08 0.61 -0.75 4.36 4.29 3n5lB1 GLN 192 HB2 -0.01 0.01 0.03 -0.04 2.15 2.13 3n5lB1 GLN 192 HB3 -0.02 -0.04 0.08 -0.04 2.02 2.00 3n5lB1 GLN 192 HG2 -0.02 -0.02 -0.27 -0.04 2.40 2.05 3n5lB1 GLN 192 HG3 -0.01 -0.00 -0.00 -0.04 2.39 2.33 3n5lB1 GLN 192 HE21 -0.03 -0.06 -0.09 -0.04 6.97 6.75 3n5lB1 GLN 192 HE22 -0.03 -0.00 -0.12 -0.04 7.69 7.50 3n5lB1 VAL 193 H -0.01 0.42 -0.09 -0.55 8.24 8.01 3n5lB1 VAL 193 HA -0.00 0.13 0.72 -0.75 4.13 4.22 3n5lB1 VAL 193 HB -0.04 0.01 -0.16 -0.04 2.12 1.89 3n5lB1 VAL 193 HG13 -0.05 -0.02 -0.30 -0.04 0.97 0.56 3n5lB1 VAL 193 HG23 -0.03 -0.03 -0.39 -0.04 0.95 0.46 3n5lB1 ASP 194 H 0.02 0.36 0.28 -0.55 8.40 8.52 3n5lB1 ASP 194 HA 0.03 0.13 0.64 -0.75 4.63 4.67 3n5lB1 ASP 194 HB2 0.06 0.04 0.18 -0.04 2.71 2.95 3n5lB1 ASP 194 HB3 0.06 -0.03 0.05 -0.04 2.70 2.74 3n5lB1 VAL 195 H 0.06 0.38 0.25 -0.55 8.24 8.38 3n5lB1 VAL 195 HA 0.10 0.41 0.94 -0.75 4.13 4.82 3n5lB1 VAL 195 HB 0.16 -0.01 -0.05 -0.04 2.12 2.17 3n5lB1 VAL 195 HG13 0.10 0.01 -0.21 -0.04 0.97 0.83 3n5lB1 VAL 195 HG23 0.09 -0.04 -0.14 -0.04 0.95 0.82 3n5lB1 ALA 196 H 0.16 0.54 0.31 -0.55 8.40 8.86 3n5lB1 ALA 196 HA 0.06 0.08 0.63 -0.75 4.34 4.36 3n5lB1 ALA 196 HB3 -0.02 0.01 -0.02 -0.04 1.41 1.34 3n5lB1 THR 197 H 0.06 0.47 0.30 -0.55 8.28 8.56 3n5lB1 THR 197 HA 0.33 0.28 1.00 -0.75 4.39 5.25 3n5lB1 THR 197 HB 0.33 0.05 0.27 -0.04 4.32 4.93 3n5lB1 THR 197 HG23 0.35 0.02 0.07 -0.04 1.22 1.61 3n5lB1 PHE 198 H 0.41 0.57 0.40 -0.55 8.34 9.17 3n5lB1 PHE 198 HA 0.35 -0.03 0.51 -0.75 4.62 4.69 3n5lB1 PHE 198 HB2 0.17 0.14 -0.46 -0.04 3.15 2.95 3n5lB1 PHE 198 HB3 0.16 0.03 -0.14 -0.04 3.06 3.07 3n5lB1 PHE 198 HD2 0.17 0.00 0.03 -0.04 7.28 7.44 3n5lB1 PHE 198 HE2 0.11 -0.01 -0.11 -0.04 7.38 7.33 3n5lB1 PHE 198 HZ 0.08 0.11 -0.00 -0.04 7.32 7.47 3n5lB1 ASN 199 H -0.97 0.32 0.23 -0.55 8.53 7.57 3n5lB1 ASN 199 HA 0.05 0.23 0.73 -0.75 4.76 5.03 3n5lB1 ASN 199 HB2 0.25 0.09 0.17 -0.04 2.88 3.34 3n5lB1 ASN 199 HB3 -0.02 0.02 -0.18 -0.04 2.79 2.58 3n5lB1 ASN 199 HD21 -0.56 0.03 0.00 -0.04 7.03 6.46 3n5lB1 ASN 199 HD22 -1.58 0.00 -0.13 -0.04 7.74 6.00 3n5lB1 THR 200 H 0.18 0.48 0.32 -0.55 8.28 8.72 3n5lB1 THR 200 HA -0.03 0.16 0.33 -0.75 4.39 4.11 3n5lB1 THR 200 HB 0.21 0.10 0.10 -0.04 4.32 4.69 3n5lB1 THR 200 HG23 0.18 0.06 0.02 -0.04 1.22 1.44 3n5lB1 GLU 201 H 0.03 -0.07 -0.08 -0.55 8.60 7.94 3n5lB1 GLU 201 HA -0.00 0.21 0.64 -0.75 4.29 4.39 3n5lB1 GLU 201 HB2 -0.11 -0.16 0.06 -0.04 2.09 1.84 3n5lB1 GLU 201 HB3 -0.02 0.09 -0.01 -0.04 1.99 2.01 3n5lB1 GLU 201 HG2 0.02 0.13 0.04 -0.04 2.34 2.49 3n5lB1 GLU 201 HG3 0.00 -0.11 0.05 -0.04 2.34 2.23 3n5lB1 GLY 202 H -0.24 -0.05 -0.16 -0.55 8.43 7.43 3n5lB1 GLY 202 HA2 0.03 0.04 0.35 -0.51 4.01 3.92 3n5lB1 GLY 202 HA3 -0.30 -0.03 0.21 -0.51 4.01 3.37 3n5lB1 GLU 204 HA 0.02 -0.05 0.35 -0.75 4.29 3.87 3n5lB1 GLU 204 HB2 0.01 0.06 0.20 -0.04 2.09 2.32 3n5lB1 GLU 204 HB3 -0.01 0.05 0.12 -0.04 1.99 2.11 3n5lB1 GLU 204 HG2 -0.02 -0.01 -0.13 -0.04 2.34 2.14 3n5lB1 GLU 204 HG3 0.00 -0.02 0.06 -0.04 2.34 2.35 3n5lB1 ARG 205 H 0.01 0.52 -0.66 -0.55 8.46 7.78 3n5lB1 ARG 205 HA 0.00 0.07 0.50 -0.75 4.34 4.16 3n5lB1 ARG 205 HB2 0.07 0.03 0.13 -0.04 1.90 2.08 3n5lB1 ARG 205 HB3 0.06 -0.10 -0.01 -0.04 1.80 1.71 3n5lB1 ARG 205 HG2 -0.04 0.12 -0.00 -0.04 1.67 1.71 3n5lB1 ARG 205 HG3 0.02 -0.12 -0.05 -0.04 1.67 1.47 3n5lB1 ARG 205 HD2 -0.06 0.03 0.03 -0.04 3.22 3.17 3n5lB1 ARG 205 HD3 -0.12 0.10 -0.02 -0.04 3.22 3.14 3n5lB1 LEU 206 H 0.14 0.69 0.29 -0.55 8.37 8.93 3n5lB1 LEU 206 HA 0.10 -0.03 0.48 -0.75 4.35 4.15 3n5lB1 LEU 206 HB2 0.30 0.04 0.09 -0.04 1.64 2.03 3n5lB1 LEU 206 HB3 0.21 0.05 -0.06 -0.04 1.64 1.80 3n5lB1 LEU 206 HG 0.08 0.01 -0.15 -0.04 1.64 1.55 3n5lB1 LEU 206 HD13 0.07 -0.03 0.02 -0.04 0.93 0.95 3n5lB1 LEU 206 HD23 0.05 0.01 -0.16 -0.04 0.89 0.75 3n5lB1 GLU 207 H 0.08 0.19 -0.28 -0.55 8.60 8.05 3n5lB1 GLU 207 HA 0.05 -0.02 0.35 -0.75 4.29 3.92 3n5lB1 GLU 207 HB2 0.03 0.17 0.12 -0.04 2.09 2.37 3n5lB1 GLU 207 HB3 0.03 0.01 -0.01 -0.04 1.99 1.97 3n5lB1 GLU 207 HG2 0.04 0.01 -0.01 -0.04 2.34 2.34 3n5lB1 GLU 207 HG3 0.07 -0.09 -0.05 -0.04 2.34 2.23 3n5lB1 LEU 208 H 0.02 0.33 -0.29 -0.55 8.37 7.89 3n5lB1 LEU 208 HA 0.01 0.07 0.55 -0.75 4.35 4.22 3n5lB1 LEU 208 HB2 -0.01 0.02 0.10 -0.04 1.64 1.71 3n5lB1 LEU 208 HB3 -0.00 0.07 0.19 -0.04 1.64 1.85 3n5lB1 LEU 208 HG -0.01 -0.02 -0.12 -0.04 1.64 1.45 3n5lB1 LEU 208 HD13 -0.01 -0.01 0.05 -0.04 0.93 0.92 3n5lB1 LEU 208 HD23 -0.04 -0.01 0.01 -0.04 0.89 0.82 3n5lB1 THR 209 H 0.03 0.46 -0.01 -0.55 8.28 8.21 3n5lB1 THR 209 HA 0.01 0.10 0.42 -0.75 4.39 4.16 3n5lB1 THR 209 HB 0.03 -0.08 0.04 -0.04 4.32 4.26 3n5lB1 THR 209 HG23 0.02 0.02 0.03 -0.04 1.22 1.25 3n5lB1 GLN 210 H 0.04 0.63 -0.02 -0.55 8.47 8.57 3n5lB1 GLN 210 HA 0.02 0.18 0.80 -0.75 4.36 4.60 3n5lB1 GLN 210 HB2 0.03 -0.04 0.17 -0.04 2.15 2.27 3n5lB1 GLN 210 HB3 0.02 -0.07 0.14 -0.04 2.02 2.06 3n5lB1 GLN 210 HG2 0.02 0.26 -0.22 -0.04 2.40 2.42 3n5lB1 GLN 210 HG3 0.03 -0.08 -0.27 -0.04 2.39 2.03 3n5lB1 GLN 210 HE21 0.02 -0.02 -0.02 -0.04 6.97 6.90 3n5lB1 GLN 210 HE22 0.03 -0.04 -0.05 -0.04 7.69 7.59 3n5lB1 PRO 211 HA 0.03 0.02 0.41 -0.51 4.44 4.39 3n5lB1 PRO 211 HB2 0.02 -0.02 -0.02 -0.04 2.28 2.21 3n5lB1 PRO 211 HB3 0.02 0.18 0.16 -0.04 2.02 2.34 3n5lB1 PRO 211 HG2 0.01 -0.07 0.06 -0.04 2.03 1.99 3n5lB1 PRO 211 HG3 0.01 0.12 0.06 -0.04 2.03 2.17 3n5lB1 PRO 211 HD2 0.02 0.11 -0.08 -0.04 3.68 3.69 3n5lB1 PRO 211 HD3 0.02 0.33 -0.41 -0.04 3.65 3.55 3n5lB1 GLU 212 H 0.02 0.14 -0.25 -0.55 8.60 7.96 3n5lB1 GLU 212 HA 0.01 0.10 0.38 -0.75 4.29 4.03 3n5lB1 GLU 212 HB2 0.01 -0.02 -0.01 -0.04 2.09 2.03 3n5lB1 GLU 212 HB3 0.01 0.04 0.02 -0.04 1.99 2.02 3n5lB1 GLU 212 HG2 0.01 0.02 0.01 -0.04 2.34 2.34 3n5lB1 GLU 212 HG3 0.01 0.02 0.01 -0.04 2.34 2.34 3n5lB1 LYS 213 H 0.02 0.27 -0.27 -0.55 8.42 7.89 3n5lB1 LYS 213 HA 0.01 0.13 0.54 -0.75 4.32 4.25 3n5lB1 LYS 213 HB2 0.02 0.08 0.09 -0.04 1.87 2.02 3n5lB1 LYS 213 HB3 -0.00 -0.03 -0.01 -0.04 1.79 1.71 3n5lB1 LYS 213 HG2 0.01 -0.06 -0.01 -0.04 1.46 1.36 3n5lB1 LYS 213 HG3 0.01 -0.03 0.01 -0.04 1.46 1.40 3n5lB1 LYS 213 HD2 -0.00 0.00 -0.05 -0.04 1.69 1.60 3n5lB1 LYS 213 HD3 0.00 0.07 -0.10 -0.04 1.68 1.61 3n5lB1 LYS 213 HE2 0.01 -0.03 -0.09 -0.04 2.99 2.84 3n5lB1 LYS 213 HE3 0.00 -0.03 -0.04 -0.04 2.99 2.89 3n5lB1 ALA 214 H 0.04 0.48 -0.06 -0.55 8.40 8.31 3n5lB1 ALA 214 HA 0.06 -0.01 0.35 -0.75 4.34 4.00 3n5lB1 ALA 214 HB3 0.07 0.00 -0.12 -0.04 1.41 1.33 3n5lB1 ARG 215 H 0.03 0.49 -0.32 -0.55 8.46 8.11 3n5lB1 ARG 215 HA 0.03 0.03 0.41 -0.75 4.34 4.05 3n5lB1 ARG 215 HB2 0.02 0.11 0.11 -0.04 1.90 2.09 3n5lB1 ARG 215 HB3 0.02 -0.02 -0.11 -0.04 1.80 1.65 3n5lB1 ARG 215 HG2 0.02 -0.02 0.07 -0.04 1.67 1.69 3n5lB1 ARG 215 HG3 0.02 0.02 0.03 -0.04 1.67 1.69 3n5lB1 ARG 215 HD2 0.01 0.00 -0.01 -0.04 3.22 3.18 3n5lB1 ARG 215 HD3 0.01 -0.04 -0.01 -0.04 3.22 3.14 3n5lB1 GLN 216 H 0.02 0.35 -0.48 -0.55 8.47 7.81 3n5lB1 GLN 216 HA 0.02 0.06 0.65 -0.75 4.36 4.34 3n5lB1 GLN 216 HB2 0.01 0.08 0.15 -0.04 2.15 2.35 3n5lB1 GLN 216 HB3 0.01 -0.08 0.23 -0.04 2.02 2.14 3n5lB1 GLN 216 HG2 0.01 0.22 0.19 -0.04 2.40 2.78 3n5lB1 GLN 216 HG3 0.01 0.01 0.10 -0.04 2.39 2.47 3n5lB1 GLN 216 HE21 0.01 -0.05 -0.07 -0.04 6.97 6.81 3n5lB1 GLN 216 HE22 0.01 0.23 -0.00 -0.04 7.69 7.88 3n5lB1 LEU 217 H 0.04 0.44 -0.32 -0.55 8.37 7.97 3n5lB1 LEU 217 HA 0.03 0.21 0.77 -0.75 4.35 4.62 3n5lB1 LEU 217 HB2 0.08 0.06 0.03 -0.04 1.64 1.78 3n5lB1 LEU 217 HB3 0.07 -0.08 -0.05 -0.04 1.64 1.53 3n5lB1 LEU 217 HG 0.02 0.18 0.02 -0.04 1.64 1.81 3n5lB1 LEU 217 HD13 -0.02 -0.05 -0.09 -0.04 0.93 0.73 3n5lB1 LEU 217 HD23 -0.02 0.02 -0.21 -0.04 0.89 0.63 3n5lB1 LYS 218 H 0.06 0.73 0.31 -0.55 8.42 8.95 3n5lB1 LYS 218 HA 0.05 0.12 0.79 -0.75 4.32 4.53 3n5lB1 LYS 218 HB2 0.04 0.03 -0.13 -0.04 1.87 1.77 3n5lB1 LYS 218 HB3 0.05 0.00 -0.15 -0.04 1.79 1.65 3n5lB1 LYS 218 HG2 0.05 -0.06 -0.41 -0.04 1.46 1.00 3n5lB1 LYS 218 HG3 0.04 0.01 -0.07 -0.04 1.46 1.40 3n5lB1 LYS 218 HD2 0.03 -0.01 -0.04 -0.04 1.69 1.62 3n5lB1 LYS 218 HD3 0.03 0.09 -0.12 -0.04 1.68 1.64 3n5lB1 LYS 218 HE2 0.03 -0.04 -0.02 -0.04 2.99 2.91 3n5lB1 LYS 218 HE3 0.04 0.02 -0.01 -0.04 2.99 2.99 3n5lB1 VAL 219 H 0.05 0.17 0.07 -0.55 8.24 7.98 3n5lB1 VAL 219 HA 0.12 0.15 0.80 -0.75 4.13 4.45 3n5lB1 VAL 219 HB 0.02 0.01 0.12 -0.04 2.12 2.24 3n5lB1 VAL 219 HG13 0.03 0.00 -0.18 -0.04 0.97 0.78 3n5lB1 VAL 219 HG23 0.08 -0.00 -0.07 -0.04 0.95 0.91 3n5lB1 ILE 220 H 0.15 0.66 0.29 -0.55 8.25 8.80 3n5lB1 ILE 220 HA 0.09 0.30 0.84 -0.75 4.18 4.66 3n5lB1 ILE 220 HB 0.10 -0.20 -0.35 -0.04 1.89 1.40 3n5lB1 ILE 220 HG12 0.15 0.07 -0.39 -0.04 1.49 1.27 3n5lB1 ILE 220 HG13 0.17 -0.06 -0.44 -0.04 1.21 0.84 3n5lB1 ILE 220 HG23 0.08 0.06 -0.38 -0.04 0.93 0.64 3n5lB1 ILE 220 HD13 0.08 0.03 -0.36 -0.04 0.88 0.58 3n5lB1 TRP 221 H 0.22 0.30 0.15 -0.55 7.97 8.10 3n5lB1 TRP 221 HA -0.01 0.13 0.49 -0.75 4.62 4.49 3n5lB1 TRP 221 HB2 -0.01 0.11 -0.14 -0.04 3.23 3.14 3n5lB1 TRP 221 HB3 0.02 -0.14 -0.07 -0.04 3.23 3.00 3n5lB1 TRP 221 HD1 -0.03 0.01 0.05 -0.04 7.22 7.21 3n5lB1 TRP 221 HE1 -0.03 0.05 -0.07 -0.04 10.20 10.10 3n5lB1 TRP 221 HE3 0.07 -0.17 -0.44 -0.04 7.59 7.01 3n5lB1 TRP 221 HZ2 0.00 0.05 -0.12 -0.04 7.44 7.32 3n5lB1 TRP 221 HZ3 0.11 -0.07 -0.29 -0.04 7.13 6.85 3n5lB1 TRP 221 HH2 0.14 -0.04 -0.22 -0.04 7.19 7.03 3n5lB1 LYS 222 H -0.93 0.34 0.14 -0.55 8.42 7.42 3n5lB1 LYS 222 HA -0.39 0.25 0.97 -0.75 4.32 4.40 3n5lB1 LYS 222 HB2 -0.26 -0.03 -0.14 -0.04 1.87 1.40 3n5lB1 LYS 222 HB3 -0.40 0.01 0.05 -0.04 1.79 1.40 3n5lB1 LYS 222 HG2 -0.36 0.16 -0.07 -0.04 1.46 1.15 3n5lB1 LYS 222 HG3 -0.20 -0.02 0.03 -0.04 1.46 1.23 3n5lB1 LYS 222 HD2 -0.31 -0.01 -0.05 -0.04 1.69 1.27 3n5lB1 LYS 222 HD3 -0.44 0.01 -0.05 -0.04 1.68 1.16 3n5lB1 LYS 222 HE2 -1.56 0.01 -0.06 -0.04 2.99 1.34 3n5lB1 LYS 222 HE3 -0.64 -0.06 -0.04 -0.04 2.99 2.21 3n5lB1 SER 223 H -0.48 0.44 0.22 -0.55 8.46 8.09 3n5lB1 SER 223 HA -1.09 0.12 0.48 -0.75 4.49 3.24 3n5lB1 SER 223 HB2 -0.03 0.05 0.14 -0.04 3.95 4.08 3n5lB1 SER 223 HB3 -0.17 -0.10 0.05 -0.04 3.93 3.68 3n5lB1 PRO 224 HA -0.00 0.10 0.70 -0.51 4.44 4.72 3n5lB1 PRO 224 HB2 -0.09 0.08 -0.01 -0.04 2.28 2.21 3n5lB1 PRO 224 HB3 -0.07 0.03 0.14 -0.04 2.02 2.08 3n5lB1 PRO 224 HG2 -0.73 0.04 0.08 -0.04 2.03 1.38 3n5lB1 PRO 224 HG3 -0.29 0.08 0.08 -0.04 2.03 1.85 3n5lB1 PRO 224 HD2 -0.43 0.03 0.19 -0.04 3.68 3.43 3n5lB1 PRO 224 HD3 -0.45 0.13 0.18 -0.04 3.65 3.47 3n5lB1 LEU 225 H 0.04 0.09 0.11 -0.55 8.37 8.07 3n5lB1 LEU 225 HA -0.69 0.09 0.38 -0.75 4.35 3.37 3n5lB1 LEU 225 HB2 -0.01 -0.00 0.07 -0.04 1.64 1.66 3n5lB1 LEU 225 HB3 -0.09 -0.00 0.03 -0.04 1.64 1.53 3n5lB1 LEU 225 HG -0.33 0.05 -0.35 -0.04 1.64 0.97 3n5lB1 LEU 225 HD13 -0.77 -0.01 -0.21 -0.04 0.93 -0.10 3n5lB1 LEU 225 HD23 -0.08 0.01 -0.17 -0.04 0.89 0.61 3n5lB1 ILE 226 H -0.66 0.62 0.40 -0.55 8.25 8.05 3n5lB1 ILE 226 HA -0.18 0.18 0.84 -0.75 4.18 4.27 3n5lB1 ILE 226 HB -1.14 -0.11 0.07 -0.04 1.89 0.67 3n5lB1 ILE 226 HG12 -0.14 0.06 -0.04 -0.04 1.49 1.32 3n5lB1 ILE 226 HG13 -0.35 0.21 0.00 -0.04 1.21 1.03 3n5lB1 ILE 226 HG23 -0.11 0.02 -0.01 -0.04 0.93 0.78 3n5lB1 ILE 226 HD13 -0.33 -0.09 -0.09 -0.04 0.88 0.34 3n5lB1 PRO 227 HA -0.07 0.21 0.56 -0.51 4.44 4.63 3n5lB1 PRO 227 HB2 -0.02 0.14 0.03 -0.04 2.28 2.39 3n5lB1 PRO 227 HB3 -0.04 0.08 0.15 -0.04 2.02 2.17 3n5lB1 PRO 227 HG2 -0.01 -0.06 0.06 -0.04 2.03 1.98 3n5lB1 PRO 227 HG3 -0.03 0.11 0.09 -0.04 2.03 2.16 3n5lB1 PRO 227 HD2 -0.06 -0.03 0.23 -0.04 3.68 3.78 3n5lB1 PRO 227 HD3 -0.07 0.22 0.14 -0.04 3.65 3.90 3n5lB1 GLY 228 H -0.00 0.22 0.21 -0.55 8.43 8.31 3n5lB1 GLY 228 HA2 0.14 -0.09 0.39 -0.51 4.01 3.94 3n5lB1 GLY 228 HA3 0.02 0.26 0.34 -0.51 4.01 4.13 3n5lB1 ASP 229 H 0.13 0.04 0.16 -0.55 8.40 8.18 3n5lB1 ASP 229 HA 0.05 0.01 0.49 -0.75 4.63 4.43 3n5lB1 ASP 229 HB2 0.44 -0.05 0.11 -0.04 2.71 3.16 3n5lB1 ASP 229 HB3 0.08 0.31 0.06 -0.04 2.70 3.11 3n5lB1 PRO 230 HA -0.12 0.22 0.98 -0.51 4.44 5.00 3n5lB1 PRO 230 HB2 -0.13 0.03 -0.05 -0.04 2.28 2.09 3n5lB1 PRO 230 HB3 -0.09 0.05 0.09 -0.04 2.02 2.03 3n5lB1 PRO 230 HG2 -0.02 -0.05 -0.10 -0.04 2.03 1.82 3n5lB1 PRO 230 HG3 -0.05 0.01 -0.04 -0.04 2.03 1.90 3n5lB1 PRO 230 HD2 -0.03 0.19 0.09 -0.04 3.68 3.89 3n5lB1 PRO 230 HD3 -0.01 0.14 0.12 -0.04 3.65 3.86 3n5lB1 LEU 231 H -0.37 0.56 0.22 -0.55 8.37 8.22 3n5lB1 LEU 231 HA -0.13 0.00 0.96 -0.75 4.35 4.43 3n5lB1 LEU 231 HB2 -1.13 0.00 0.04 -0.04 1.64 0.51 3n5lB1 LEU 231 HB3 -0.57 0.00 -0.04 -0.04 1.64 0.99 3n5lB1 LEU 231 HG -0.20 0.00 -0.26 -0.04 1.64 1.14 3n5lB1 LEU 231 HD13 -0.97 0.01 -0.15 -0.04 0.93 -0.23 3n5lB1 LEU 231 HD23 0.34 0.00 -0.05 -0.04 0.89 1.14 3n5lB1 VAL 232 H -0.14 0.63 0.28 -0.55 8.24 8.45 3n5lB1 VAL 232 HA -0.15 0.27 0.96 -0.75 4.13 4.45 3n5lB1 VAL 232 HB 0.21 -0.03 -0.04 -0.04 2.12 2.21 3n5lB1 VAL 232 HG13 0.07 0.01 -0.32 -0.04 0.97 0.68 3n5lB1 VAL 232 HG23 0.03 -0.02 -0.36 -0.04 0.95 0.55 3n5lB1 TRP 233 H -0.14 0.53 0.31 -0.55 7.97 8.12 3n5lB1 TRP 233 HA -0.08 0.22 1.12 -0.75 4.62 5.12 3n5lB1 TRP 233 HB2 -0.13 0.16 0.20 -0.04 3.23 3.42 3n5lB1 TRP 233 HB3 -0.14 -0.11 0.05 -0.04 3.23 2.99 3n5lB1 TRP 233 HD1 -0.01 -0.07 -0.40 -0.04 7.22 6.69 3n5lB1 TRP 233 HE1 -0.01 -0.01 -0.09 -0.04 10.20 10.05 3n5lB1 TRP 233 HE3 -0.92 -0.02 -0.08 -0.04 7.59 6.52 3n5lB1 TRP 233 HZ2 -0.04 0.01 -0.04 -0.04 7.44 7.33 3n5lB1 TRP 233 HZ3 -0.90 0.01 0.00 -0.04 7.13 6.20 3n5lB1 TRP 233 HH2 -0.19 0.03 -0.03 -0.04 7.19 6.96 3n5lB1 ARG 234 H 0.07 0.49 0.21 -0.55 8.46 8.68 3n5lB1 ARG 234 HA -0.00 0.24 0.73 -0.75 4.34 4.55 3n5lB1 ARG 234 HB2 -0.01 -0.02 0.11 -0.04 1.90 1.94 3n5lB1 ARG 234 HB3 -0.15 0.13 0.11 -0.04 1.80 1.84 3n5lB1 ARG 234 HG2 -0.05 0.08 0.28 -0.04 1.67 1.95 3n5lB1 ARG 234 HG3 -0.03 -0.18 -0.02 -0.04 1.67 1.40 3n5lB1 ARG 234 HD2 0.07 -0.02 -0.01 -0.04 3.22 3.22 3n5lB1 ARG 234 HD3 -0.07 0.28 0.07 -0.04 3.22 3.46 3n5lB1 ASN 235 H 0.19 0.80 0.36 -0.55 8.53 9.33 3n5lB1 ASN 235 HA 0.13 0.04 0.26 -0.75 4.76 4.44 3n5lB1 ASN 235 HB2 0.12 -0.06 0.10 -0.04 2.88 3.00 3n5lB1 ASN 235 HB3 0.18 0.03 -0.02 -0.04 2.79 2.95 3n5lB1 ASN 235 HD21 0.07 -0.05 0.00 -0.04 7.03 7.02 3n5lB1 ASN 235 HD22 0.09 -0.03 -0.04 -0.04 7.74 7.72 3n5lB1 ASN 236 H 0.11 0.07 -0.35 -0.55 8.53 7.82 3n5lB1 ASN 236 HA -0.07 0.19 0.78 -0.75 4.76 4.90 3n5lB1 ASN 236 HB2 -0.06 -0.02 0.14 -0.04 2.88 2.89 3n5lB1 ASN 236 HB3 -0.07 -0.01 0.03 -0.04 2.79 2.71 3n5lB1 ASN 236 HD21 0.02 0.04 -0.04 -0.04 7.03 7.00 3n5lB1 ASN 236 HD22 -0.08 -0.02 -0.00 -0.04 7.74 7.59 3n5lB1 LEU 237 H -0.19 0.42 -0.25 -0.55 8.37 7.81 3n5lB1 LEU 237 HA -0.18 0.03 0.62 -0.75 4.35 4.08 3n5lB1 LEU 237 HB2 -0.57 0.11 0.06 -0.04 1.64 1.20 3n5lB1 LEU 237 HB3 -0.42 -0.07 -0.04 -0.04 1.64 1.07 3n5lB1 LEU 237 HG -0.19 0.14 0.15 -0.04 1.64 1.70 3n5lB1 LEU 237 HD13 -0.34 -0.04 -0.08 -0.04 0.93 0.42 3n5lB1 LEU 237 HD23 -0.18 -0.03 0.07 -0.04 0.89 0.71 3n5lB1 SER 238 H -0.19 0.07 0.14 -0.55 8.46 7.94 3n5lB1 SER 238 HA -0.13 0.19 0.44 -0.75 4.49 4.23 3n5lB1 SER 238 HB2 -0.08 -0.01 0.14 -0.04 3.95 3.95 3n5lB1 SER 238 HB3 -0.10 0.14 0.15 -0.04 3.93 4.09 3n5lB1 ASP 239 H -0.11 0.21 0.17 -0.55 8.40 8.12 3n5lB1 ASP 239 HA -0.16 0.14 0.40 -0.75 4.63 4.25 3n5lB1 ASP 239 HB2 -0.06 -0.04 0.13 -0.04 2.71 2.70 3n5lB1 ASP 239 HB3 -0.05 0.03 0.01 -0.04 2.70 2.65 3n5lB1 GLU 240 H -0.07 0.09 -0.18 -0.55 8.60 7.89 3n5lB1 GLU 240 HA -0.01 0.09 0.31 -0.75 4.29 3.92 3n5lB1 GLU 240 HB2 -0.01 0.02 0.08 -0.04 2.09 2.14 3n5lB1 GLU 240 HB3 0.00 -0.03 0.04 -0.04 1.99 1.96 3n5lB1 GLU 240 HG2 0.07 0.01 -0.16 -0.04 2.34 2.22 3n5lB1 GLU 240 HG3 0.02 0.02 0.01 -0.04 2.34 2.34 3n5lB1 GLN 241 H -0.10 0.05 -0.25 -0.55 8.47 7.62 3n5lB1 GLN 241 HA 0.04 0.08 0.47 -0.75 4.36 4.19 3n5lB1 GLN 241 HB2 -0.26 0.07 0.10 -0.04 2.15 2.01 3n5lB1 GLN 241 HB3 -0.30 0.03 -0.04 -0.04 2.02 1.68 3n5lB1 GLN 241 HG2 -0.58 0.06 -0.02 -0.04 2.40 1.82 3n5lB1 GLN 241 HG3 -0.15 -0.07 0.03 -0.04 2.39 2.15 3n5lB1 GLN 241 HE21 -0.27 0.09 0.01 -0.04 6.97 6.77 3n5lB1 GLN 241 HE22 -0.65 0.01 -0.08 -0.04 7.69 6.93 3n5lB1 LYS 242 H -0.37 0.62 -0.18 -0.55 8.42 7.94 3n5lB1 LYS 242 HA -0.88 0.00 0.29 -0.75 4.32 2.97 3n5lB1 LYS 242 HB2 -0.43 0.08 0.11 -0.04 1.87 1.59 3n5lB1 LYS 242 HB3 -0.72 -0.03 -0.03 -0.04 1.79 0.97 3n5lB1 LYS 242 HG2 -2.82 -0.04 -0.05 -0.04 1.46 -1.50 3n5lB1 LYS 242 HG3 -0.93 0.04 -0.15 -0.04 1.46 0.38 3n5lB1 LYS 242 HD2 -0.42 -0.03 -0.16 -0.04 1.69 1.04 3n5lB1 LYS 242 HD3 -0.49 -0.06 -0.05 -0.04 1.68 1.05 3n5lB1 LYS 242 HE2 -0.99 -0.07 -0.06 -0.04 2.99 1.83 3n5lB1 LYS 242 HE3 -0.61 0.06 -0.13 -0.04 2.99 2.26 3n5lB1 ASN 243 H -0.10 0.65 -0.15 -0.55 8.53 8.38 3n5lB1 ASN 243 HA 0.07 0.03 0.40 -0.75 4.76 4.52 3n5lB1 ASN 243 HB2 0.01 0.07 0.13 -0.04 2.88 3.05 3n5lB1 ASN 243 HB3 0.05 -0.03 0.02 -0.04 2.79 2.78 3n5lB1 ASN 243 HD21 0.00 -0.04 -0.03 -0.04 7.03 6.93 3n5lB1 ASN 243 HD22 0.00 -0.03 -0.07 -0.04 7.74 7.59 3n5lB1 LYS 244 H 0.04 0.59 -0.10 -0.55 8.42 8.40 3n5lB1 LYS 244 HA 0.09 0.00 0.46 -0.75 4.32 4.11 3n5lB1 LYS 244 HB2 0.21 0.00 0.15 -0.04 1.87 2.18 3n5lB1 LYS 244 HB3 0.08 0.00 0.03 -0.04 1.79 1.86 3n5lB1 LYS 244 HG2 0.01 0.00 0.03 -0.04 1.46 1.46 3n5lB1 LYS 244 HG3 0.04 0.08 0.08 -0.04 1.46 1.62 3n5lB1 LYS 244 HD2 -0.02 -0.06 -0.04 -0.04 1.69 1.53 3n5lB1 LYS 244 HD3 -0.23 0.00 0.06 -0.04 1.68 1.47 3n5lB1 LYS 244 HE2 -0.07 0.00 0.01 -0.04 2.99 2.88 3n5lB1 LYS 244 HE3 -0.02 -0.08 -0.01 -0.04 2.99 2.84 3n5lB1 LEU 245 H 0.08 0.75 -0.15 -0.55 8.37 8.51 3n5lB1 LEU 245 HA 0.28 0.01 0.41 -0.75 4.35 4.30 3n5lB1 LEU 245 HB2 0.08 0.11 0.10 -0.04 1.64 1.89 3n5lB1 LEU 245 HB3 0.23 -0.07 -0.05 -0.04 1.64 1.71 3n5lB1 LEU 245 HG 0.09 0.05 -0.02 -0.04 1.64 1.73 3n5lB1 LEU 245 HD13 -0.02 -0.02 -0.17 -0.04 0.93 0.67 3n5lB1 LEU 245 HD23 0.27 -0.02 -0.09 -0.04 0.89 1.01 3n5lB1 ARG 246 H 0.16 0.67 -0.10 -0.55 8.46 8.63 3n5lB1 ARG 246 HA -0.11 -0.02 0.34 -0.75 4.34 3.79 3n5lB1 ARG 246 HB2 0.21 0.12 0.17 -0.04 1.90 2.36 3n5lB1 ARG 246 HB3 0.33 -0.03 -0.05 -0.04 1.80 2.00 3n5lB1 ARG 246 HG2 0.33 -0.03 0.03 -0.04 1.67 1.95 3n5lB1 ARG 246 HG3 0.44 0.07 0.04 -0.04 1.67 2.18 3n5lB1 ARG 246 HD2 0.32 -0.02 -0.03 -0.04 3.22 3.46 3n5lB1 ARG 246 HD3 0.42 -0.01 0.00 -0.04 3.22 3.59 3n5lB1 ASP 247 H 0.15 0.50 -0.20 -0.55 8.40 8.31 3n5lB1 ASP 247 HA 0.19 0.01 0.36 -0.75 4.63 4.43 3n5lB1 ASP 247 HB2 0.13 0.06 0.15 -0.04 2.71 3.01 3n5lB1 ASP 247 HB3 0.12 -0.03 -0.01 -0.04 2.70 2.74 3n5lB1 PHE 248 H 0.25 0.55 -0.23 -0.55 8.34 8.36 3n5lB1 PHE 248 HA 0.05 -0.01 0.26 -0.75 4.62 4.17 3n5lB1 PHE 248 HB2 -0.03 -0.00 0.03 -0.04 3.15 3.11 3n5lB1 PHE 248 HB3 -0.06 0.07 0.15 -0.04 3.06 3.18 3n5lB1 PHE 248 HD2 -0.58 -0.01 -0.09 -0.04 7.28 6.55 3n5lB1 PHE 248 HE2 -0.66 -0.03 -0.07 -0.04 7.38 6.58 3n5lB1 PHE 248 HZ -0.95 0.03 -0.03 -0.04 7.32 6.33 3n5lB1 PHE 249 H 0.26 0.61 -0.04 -0.55 8.34 8.62 3n5lB1 PHE 249 HA -0.24 -0.02 0.24 -0.75 4.62 3.85 3n5lB1 PHE 249 HB2 -0.34 0.10 0.05 -0.04 3.15 2.92 3n5lB1 PHE 249 HB3 -0.35 -0.05 -0.11 -0.04 3.06 2.50 3n5lB1 PHE 249 HD2 -0.87 0.18 -0.04 -0.04 7.28 6.51 3n5lB1 PHE 249 HE2 0.06 -0.02 -0.11 -0.04 7.38 7.26 3n5lB1 PHE 249 HZ 0.69 -0.02 -0.15 -0.04 7.32 7.80 3n5lB1 PHE 250 H -0.08 0.57 -0.14 -0.55 8.34 8.13 3n5lB1 PHE 250 HA 0.20 0.13 0.52 -0.75 4.62 4.71 3n5lB1 PHE 250 HB2 0.14 0.08 0.06 -0.04 3.15 3.39 3n5lB1 PHE 250 HB3 0.11 -0.05 0.09 -0.04 3.06 3.17 3n5lB1 PHE 250 HD2 0.17 0.06 -0.19 -0.04 7.28 7.27 3n5lB1 PHE 250 HE2 0.10 -0.02 -0.23 -0.04 7.38 7.19 3n5lB1 PHE 250 HZ 0.08 0.31 0.13 -0.04 7.32 7.80 3n5lB1 LYS 251 H 0.13 0.43 -0.26 -0.55 8.42 8.16 3n5lB1 LYS 251 HA 0.11 0.11 0.73 -0.75 4.32 4.52 3n5lB1 LYS 251 HB2 0.08 0.14 0.09 -0.04 1.87 2.13 3n5lB1 LYS 251 HB3 0.06 -0.13 0.11 -0.04 1.79 1.79 3n5lB1 LYS 251 HG2 0.10 -0.04 -0.02 -0.04 1.46 1.46 3n5lB1 LYS 251 HG3 0.16 0.00 -0.03 -0.04 1.46 1.55 3n5lB1 LYS 251 HD2 0.10 0.02 -0.02 -0.04 1.69 1.75 3n5lB1 LYS 251 HD3 0.08 -0.06 -0.00 -0.04 1.68 1.65 3n5lB1 LYS 251 HE2 0.14 0.01 0.00 -0.04 2.99 3.10 3n5lB1 LYS 251 HE3 0.10 -0.05 -0.00 -0.04 2.99 3.00 3n5lB1 TYR 252 H 0.10 0.29 -0.24 -0.55 8.29 7.89 3n5lB1 TYR 252 HA -0.14 -0.12 0.41 -0.75 4.56 3.96 3n5lB1 TYR 252 HB2 -0.64 0.22 0.10 -0.04 3.06 2.69 3n5lB1 TYR 252 HB3 0.10 0.03 0.03 -0.04 2.98 3.11 3n5lB1 TYR 252 HD2 -0.19 0.05 -0.10 -0.04 7.15 6.87 3n5lB1 TYR 252 HE2 0.19 0.01 0.01 -0.04 6.85 7.03 3n5lB1 GLY 253 H -0.77 -0.09 0.20 -0.55 8.43 7.23 3n5lB1 GLY 253 HA2 -0.27 -0.11 0.15 -0.51 4.01 3.28 3n5lB1 GLY 253 HA3 -0.09 0.31 0.80 -0.51 4.01 4.51 3n5lB1 ALA 254 H -0.22 -0.04 0.19 -0.55 8.40 7.78 3n5lB1 ALA 254 HA -0.06 0.20 0.28 -0.75 4.34 4.01 3n5lB1 ALA 254 HB3 -0.05 0.04 0.11 -0.04 1.41 1.46 3n5lB1 ASN 255 H -0.13 -0.05 -0.01 -0.55 8.53 7.80 3n5lB1 ASN 255 HA -0.05 0.30 0.75 -0.75 4.76 5.00 3n5lB1 ASN 255 HB2 -0.03 -0.06 0.20 -0.04 2.88 2.94 3n5lB1 ASN 255 HB3 -0.04 0.18 -0.09 -0.04 2.79 2.79 3n5lB1 ASN 255 HD21 -0.03 0.05 0.01 -0.04 7.03 7.01 3n5lB1 ASN 255 HD22 -0.03 0.12 -0.00 -0.04 7.74 7.79 3n5lB1 ALA 256 H -0.03 0.22 0.17 -0.55 8.40 8.21 3n5lB1 ALA 256 HA -0.04 0.15 0.31 -0.75 4.34 4.01 3n5lB1 ALA 256 HB3 -0.02 0.04 0.11 -0.04 1.41 1.49 3n5lB1 GLU 257 H -0.03 0.09 -0.07 -0.55 8.60 8.04 3n5lB1 GLU 257 HA -0.01 0.12 0.42 -0.75 4.29 4.06 3n5lB1 GLU 257 HB2 -0.01 0.04 0.10 -0.04 2.09 2.18 3n5lB1 GLU 257 HB3 -0.02 -0.05 0.07 -0.04 1.99 1.96 3n5lB1 GLU 257 HG2 0.02 0.01 0.03 -0.04 2.34 2.36 3n5lB1 GLU 257 HG3 0.02 0.05 -0.00 -0.04 2.34 2.37 3n5lB1 GLN 258 H -0.10 0.05 -0.26 -0.55 8.47 7.61 3n5lB1 GLN 258 HA -0.08 0.12 0.42 -0.75 4.36 4.07 3n5lB1 GLN 258 HB2 -0.32 -0.07 0.13 -0.04 2.15 1.84 3n5lB1 GLN 258 HB3 -1.01 -0.01 0.11 -0.04 2.02 1.08 3n5lB1 GLN 258 HG2 -0.34 0.12 0.06 -0.04 2.40 2.19 3n5lB1 GLN 258 HG3 -0.17 -0.04 0.05 -0.04 2.39 2.19 3n5lB1 GLN 258 HE21 -0.01 0.12 0.03 -0.04 6.97 7.06 3n5lB1 GLN 258 HE22 0.03 0.04 0.03 -0.04 7.69 7.74 3n5lB1 LYS 259 H -0.10 0.48 -0.11 -0.55 8.42 8.13 3n5lB1 LYS 259 HA -0.06 0.13 0.47 -0.75 4.32 4.11 3n5lB1 LYS 259 HB2 -0.05 0.01 0.11 -0.04 1.87 1.90 3n5lB1 LYS 259 HB3 -0.05 0.00 0.01 -0.04 1.79 1.71 3n5lB1 LYS 259 HG2 -0.06 0.08 0.06 -0.04 1.46 1.51 3n5lB1 LYS 259 HG3 -0.09 -0.05 -0.03 -0.04 1.46 1.24 3n5lB1 LYS 259 HD2 -0.05 -0.15 -0.35 -0.04 1.69 1.09 3n5lB1 LYS 259 HD3 -0.04 -0.04 -0.06 -0.04 1.68 1.50 3n5lB1 LYS 259 HE2 -0.04 0.13 0.01 -0.04 2.99 3.05 3n5lB1 LYS 259 HE3 -0.05 -0.02 -0.25 -0.04 2.99 2.63 3n5lB1 LYS 260 H -0.03 0.48 -0.22 -0.55 8.42 8.09 3n5lB1 LYS 260 HA -0.04 0.00 0.54 -0.75 4.32 4.06 3n5lB1 LYS 260 HB2 -0.03 0.00 0.12 -0.04 1.87 1.92 3n5lB1 LYS 260 HB3 -0.02 0.13 0.21 -0.04 1.79 2.07 3n5lB1 LYS 260 HG2 -0.02 0.00 -0.01 -0.04 1.46 1.39 3n5lB1 LYS 260 HG3 -0.02 0.00 -0.24 -0.04 1.46 1.16 3n5lB1 LYS 260 HD2 -0.05 -0.05 0.03 -0.04 1.69 1.59 3n5lB1 LYS 260 HD3 -0.03 -0.00 0.04 -0.04 1.68 1.64 3n5lB1 LYS 260 HE2 -0.02 -0.01 -0.00 -0.04 2.99 2.91 3n5lB1 LYS 260 HE3 -0.03 0.00 -0.02 -0.04 2.99 2.90 3n5lB1 VAL 261 H 0.02 0.44 -0.09 -0.55 8.24 8.06 3n5lB1 VAL 261 HA -0.04 0.05 0.43 -0.75 4.13 3.82 3n5lB1 VAL 261 HB 0.27 0.10 0.16 -0.04 2.12 2.61 3n5lB1 VAL 261 HG13 0.16 0.01 -0.15 -0.04 0.97 0.95 3n5lB1 VAL 261 HG23 0.12 0.05 -0.01 -0.04 0.95 1.06 3n5lB1 LEU 262 H 0.05 0.52 -0.14 -0.55 8.37 8.26 3n5lB1 LEU 262 HA -0.13 -0.03 0.40 -0.75 4.35 3.82 3n5lB1 LEU 262 HB2 -0.02 0.08 0.15 -0.04 1.64 1.81 3n5lB1 LEU 262 HB3 -0.04 0.22 -0.17 -0.04 1.64 1.61 3n5lB1 LEU 262 HG 0.29 0.00 -0.05 -0.04 1.64 1.84 3n5lB1 LEU 262 HD13 -0.00 0.06 -0.19 -0.04 0.93 0.76 3n5lB1 LEU 262 HD23 -0.11 -0.04 -0.23 -0.04 0.89 0.47 3n5lB1 ALA 263 H -0.08 0.49 -0.13 -0.55 8.40 8.13 3n5lB1 ALA 263 HA -0.11 0.03 0.43 -0.75 4.34 3.94 3n5lB1 ALA 263 HB3 -0.07 0.01 0.15 -0.04 1.41 1.46 3n5lB1 ASP 264 H -0.16 0.57 -0.13 -0.55 8.40 8.13 3n5lB1 ASP 264 HA -0.17 0.02 0.47 -0.75 4.63 4.20 3n5lB1 ASP 264 HB2 -0.18 0.14 0.17 -0.04 2.71 2.79 3n5lB1 ASP 264 HB3 -0.17 -0.07 0.10 -0.04 2.70 2.52 3n5lB1 LEU 265 H -0.47 0.41 -0.31 -0.55 8.37 7.45 3n5lB1 LEU 265 HA -0.85 0.05 0.71 -0.75 4.35 3.51 3n5lB1 LEU 265 HB2 -1.00 0.13 0.14 -0.04 1.64 0.87 3n5lB1 LEU 265 HB3 -2.58 -0.13 0.11 -0.04 1.64 -1.01 3n5lB1 LEU 265 HG -0.84 0.09 -0.08 -0.04 1.64 0.77 3n5lB1 LEU 265 HD13 -1.03 -0.01 -0.06 -0.04 0.93 -0.21 3n5lB1 LEU 265 HD23 -1.91 -0.04 -0.09 -0.04 0.89 -1.19 3n5lB1 GLN 266 H -0.40 0.44 -0.48 -0.55 8.47 7.48 3n5lB1 GLN 266 HA -0.21 0.11 0.32 -0.75 4.36 3.82 3n5lB1 GLN 266 HB2 -0.36 0.10 0.16 -0.04 2.15 2.01 3n5lB1 GLN 266 HB3 -0.13 -0.14 0.21 -0.04 2.02 1.92 3n5lB1 GLN 266 HG2 -0.19 0.12 -0.06 -0.04 2.40 2.23 3n5lB1 GLN 266 HG3 -0.32 0.03 -0.44 -0.04 2.39 1.63 3n5lB1 GLN 266 HE21 -0.05 0.20 0.10 -0.04 6.97 7.18 3n5lB1 GLN 266 HE22 -0.11 -0.05 -0.01 -0.04 7.69 7.48 3n5lB1 TRP 267 H -0.25 0.64 -0.06 -0.55 7.97 7.75 3n5lB1 TRP 267 HA -0.15 0.12 0.96 -0.75 4.62 4.80 3n5lB1 TRP 267 HB2 -0.39 0.01 -0.09 -0.04 3.23 2.71 3n5lB1 TRP 267 HB3 -0.38 0.00 0.00 -0.04 3.23 2.82 3n5lB1 TRP 267 HD1 -0.12 0.06 -0.34 -0.04 7.22 6.77 3n5lB1 TRP 267 HE1 -0.02 -0.14 -0.09 -0.04 10.20 9.91 3n5lB1 TRP 267 HE3 -0.59 0.02 -0.11 -0.04 7.59 6.87 3n5lB1 TRP 267 HZ2 -0.60 -0.11 -0.05 -0.04 7.44 6.63 3n5lB1 TRP 267 HZ3 -0.75 -0.01 -0.08 -0.04 7.13 6.25 3n5lB1 TRP 267 HH2 -0.52 -0.07 -0.06 -0.04 7.19 6.50 3n5lB1 SER 268 H 0.04 0.56 -0.05 -0.55 8.46 8.47 3n5lB1 SER 268 HA -0.02 0.13 0.84 -0.75 4.49 4.68 3n5lB1 SER 268 HB2 -0.02 -0.02 0.01 -0.04 3.95 3.88 3n5lB1 SER 268 HB3 -0.00 0.07 0.08 -0.04 3.93 4.04 3n5lB1 LYS 269 H -0.16 0.22 0.18 -0.55 8.42 8.11 3n5lB1 LYS 269 HA -0.19 0.13 0.46 -0.75 4.32 3.97 3n5lB1 LYS 269 HB2 0.00 0.14 0.14 -0.04 1.87 2.10 3n5lB1 LYS 269 HB3 -0.04 0.15 -0.22 -0.04 1.79 1.64 3n5lB1 LYS 269 HG2 -0.05 -0.13 -0.21 -0.04 1.46 1.02 3n5lB1 LYS 269 HG3 -0.04 -0.03 -0.49 -0.04 1.46 0.86 3n5lB1 LYS 269 HD2 0.01 0.11 -0.10 -0.04 1.69 1.66 3n5lB1 LYS 269 HD3 -0.01 0.02 -0.10 -0.04 1.68 1.54 3n5lB1 LYS 269 HE2 -0.02 -0.04 -0.11 -0.04 2.99 2.78 3n5lB1 LYS 269 HE3 -0.02 -0.03 -0.14 -0.04 2.99 2.77 3n5lB1 PHE 270 H 0.07 0.36 0.19 -0.55 8.34 8.40 3n5lB1 PHE 270 HA -0.08 0.19 0.93 -0.75 4.62 4.91 3n5lB1 PHE 270 HB2 0.24 0.26 -0.02 -0.04 3.15 3.58 3n5lB1 PHE 270 HB3 0.10 -0.07 -0.05 -0.04 3.06 3.00 3n5lB1 PHE 270 HD2 -0.07 0.15 -0.05 -0.04 7.28 7.26 3n5lB1 PHE 270 HE2 -0.57 -0.03 -0.12 -0.04 7.38 6.62 3n5lB1 PHE 270 HZ -0.40 -0.01 -0.12 -0.04 7.32 6.74 3n5lB1 GLN 271 H 0.13 0.60 0.30 -0.55 8.47 8.95 3n5lB1 GLN 271 HA 0.06 0.18 0.85 -0.75 4.36 4.70 3n5lB1 GLN 271 HB2 -0.04 -0.00 0.10 -0.04 2.15 2.16 3n5lB1 GLN 271 HB3 0.00 0.02 -0.12 -0.04 2.02 1.87 3n5lB1 GLN 271 HG2 -0.02 0.08 -0.08 -0.04 2.40 2.35 3n5lB1 GLN 271 HG3 -0.03 0.04 -0.21 -0.04 2.39 2.16 3n5lB1 GLN 271 HE21 -0.03 -0.02 -0.04 -0.04 6.97 6.83 3n5lB1 GLN 271 HE22 -0.04 -0.04 -0.10 -0.04 7.69 7.47 3n5lB1 ALA 272 H -0.29 0.13 0.16 -0.55 8.40 7.85 3n5lB1 ALA 272 HA 0.05 0.17 0.62 -0.75 4.34 4.42 3n5lB1 ALA 272 HB3 -0.37 0.01 0.12 -0.04 1.41 1.12 3n5lB1 SER 273 H -0.01 0.53 -0.00 -0.55 8.46 8.43 3n5lB1 SER 273 HA -0.06 0.13 0.45 -0.75 4.49 4.26 3n5lB1 SER 273 HB2 -0.08 0.11 -0.43 -0.04 3.95 3.51 3n5lB1 SER 273 HB3 -0.13 -0.03 -0.43 -0.04 3.93 3.30 3n5lB1 ASP 274 H -0.06 0.20 0.14 -0.55 8.40 8.13 3n5lB1 ASP 274 HA -0.06 0.47 0.71 -0.75 4.63 5.00 3n5lB1 ASP 274 HB2 -0.01 -0.08 0.19 -0.04 2.71 2.76 3n5lB1 ASP 274 HB3 -0.01 0.18 -0.14 -0.04 2.70 2.69 3n5lB1 ASP 275 H -0.03 0.27 0.22 -0.55 8.40 8.31 3n5lB1 ASP 275 HA -0.05 0.05 0.42 -0.75 4.63 4.29 3n5lB1 ASP 275 HB2 -0.02 0.04 0.15 -0.04 2.71 2.84 3n5lB1 ASP 275 HB3 -0.03 0.04 0.07 -0.04 2.70 2.74 3n5lB1 ASP 276 H -0.03 0.11 -0.25 -0.55 8.40 7.68 3n5lB1 ASP 276 HA -0.03 0.09 0.46 -0.75 4.63 4.39 3n5lB1 ASP 276 HB2 -0.02 -0.00 0.04 -0.04 2.71 2.68 3n5lB1 ASP 276 HB3 -0.02 0.10 0.06 -0.04 2.70 2.79 3n5lB1 GLN 277 H -0.04 0.37 -0.31 -0.55 8.47 7.94 3n5lB1 GLN 277 HA -0.04 0.09 0.49 -0.75 4.36 4.15 3n5lB1 GLN 277 HB2 -0.05 -0.05 0.13 -0.04 2.15 2.14 3n5lB1 GLN 277 HB3 -0.06 0.07 0.08 -0.04 2.02 2.08 3n5lB1 GLN 277 HG2 -0.04 -0.05 -0.26 -0.04 2.40 2.01 3n5lB1 GLN 277 HG3 -0.04 0.01 0.05 -0.04 2.39 2.37 3n5lB1 GLN 277 HE21 -0.04 0.05 -0.08 -0.04 6.97 6.87 3n5lB1 GLN 277 HE22 -0.02 -0.11 -0.06 -0.04 7.69 7.46 3n5lB1 LEU 278 H -0.05 0.51 -0.30 -0.55 8.37 7.99 3n5lB1 LEU 278 HA -0.04 0.03 0.53 -0.75 4.35 4.12 3n5lB1 LEU 278 HB2 -0.05 0.21 0.10 -0.04 1.64 1.86 3n5lB1 LEU 278 HB3 -0.05 -0.09 0.08 -0.04 1.64 1.53 3n5lB1 LEU 278 HG -0.06 -0.01 0.03 -0.04 1.64 1.56 3n5lB1 LEU 278 HD13 -0.07 -0.00 -0.01 -0.04 0.93 0.81 3n5lB1 LEU 278 HD23 -0.05 -0.01 -0.01 -0.04 0.89 0.78 3n5lB1 LEU 279 H -0.04 0.54 -0.30 -0.55 8.37 8.02 3n5lB1 LEU 279 HA -0.06 -0.02 0.26 -0.75 4.35 3.78 3n5lB1 LEU 279 HB2 -0.04 0.14 0.11 -0.04 1.64 1.80 3n5lB1 LEU 279 HB3 -0.05 0.01 0.00 -0.04 1.64 1.57 3n5lB1 LEU 279 HG -0.03 -0.00 0.18 -0.04 1.64 1.74 3n5lB1 LEU 279 HD13 -0.03 0.01 0.00 -0.04 0.93 0.88 3n5lB1 LEU 279 HD23 -0.04 -0.02 0.00 -0.04 0.89 0.79 3n5lB1 PRO 280 HA -0.10 0.08 0.52 -0.51 4.44 4.44 3n5lB1 PRO 280 HB2 -0.03 0.01 -0.06 -0.04 2.28 2.15 3n5lB1 PRO 280 HB3 -0.03 0.05 0.09 -0.04 2.02 2.09 3n5lB1 PRO 280 HG2 -0.03 0.09 0.07 -0.04 2.03 2.12 3n5lB1 PRO 280 HG3 -0.03 0.07 0.05 -0.04 2.03 2.08 3n5lB1 PRO 280 HD2 -0.04 0.27 -0.17 -0.04 3.68 3.69 3n5lB1 PRO 280 HD3 -0.04 0.16 0.07 -0.04 3.65 3.79 3n5lB1 ILE 281 H -0.05 0.30 -0.31 -0.55 8.25 7.64 3n5lB1 ILE 281 HA -0.04 0.02 0.54 -0.75 4.18 3.94 3n5lB1 ILE 281 HB -0.04 0.18 0.12 -0.04 1.89 2.10 3n5lB1 ILE 281 HG12 -0.03 0.13 0.07 -0.04 1.49 1.61 3n5lB1 ILE 281 HG13 -0.02 -0.04 0.01 -0.04 1.21 1.12 3n5lB1 ILE 281 HG23 -0.01 -0.03 -0.18 -0.04 0.93 0.67 3n5lB1 ILE 281 HD13 0.00 -0.02 0.00 -0.04 0.88 0.82 3n5lB1 ARG 282 H -0.08 0.76 0.02 -0.55 8.46 8.62 3n5lB1 ARG 282 HA -0.08 -0.01 0.51 -0.75 4.34 4.00 3n5lB1 ARG 282 HB2 -0.08 0.20 0.13 -0.04 1.90 2.10 3n5lB1 ARG 282 HB3 -0.08 -0.04 0.00 -0.04 1.80 1.65 3n5lB1 ARG 282 HG2 -0.06 -0.04 -0.00 -0.04 1.67 1.53 3n5lB1 ARG 282 HG3 -0.06 0.10 -0.02 -0.04 1.67 1.65 3n5lB1 ARG 282 HD2 -0.05 0.01 -0.09 -0.04 3.22 3.05 3n5lB1 ARG 282 HD3 -0.05 -0.01 -0.04 -0.04 3.22 3.08 3n5lB1 GLN 283 H -0.17 0.42 -0.27 -0.55 8.47 7.90 3n5lB1 GLN 283 HA -0.35 0.03 0.40 -0.75 4.36 3.69 3n5lB1 GLN 283 HB2 -0.24 0.11 0.10 -0.04 2.15 2.07 3n5lB1 GLN 283 HB3 -0.35 0.10 0.14 -0.04 2.02 1.87 3n5lB1 GLN 283 HG2 -1.55 -0.06 -0.11 -0.04 2.40 0.63 3n5lB1 GLN 283 HG3 -0.45 -0.01 0.02 -0.04 2.39 1.92 3n5lB1 GLN 283 HE21 0.06 0.03 -0.02 -0.04 6.97 7.00 3n5lB1 GLN 283 HE22 -0.00 -0.01 -0.02 -0.04 7.69 7.61 3n5lB1 LEU 284 H -0.26 0.50 -0.15 -0.55 8.37 7.92 3n5lB1 LEU 284 HA -0.43 0.02 0.46 -0.75 4.35 3.64 3n5lB1 LEU 284 HB2 -0.09 0.09 0.16 -0.04 1.64 1.76 3n5lB1 LEU 284 HB3 -0.08 0.07 0.20 -0.04 1.64 1.78 3n5lB1 LEU 284 HG -0.05 -0.03 -0.18 -0.04 1.64 1.34 3n5lB1 LEU 284 HD13 -0.26 -0.01 0.06 -0.04 0.93 0.68 3n5lB1 LEU 284 HD23 0.16 -0.02 -0.02 -0.04 0.89 0.97 3n5lB1 GLU 285 H -0.13 0.62 -0.17 -0.55 8.60 8.37 3n5lB1 GLU 285 HA -0.03 -0.03 0.47 -0.75 4.29 3.95 3n5lB1 GLU 285 HB2 -0.03 -0.01 0.12 -0.04 2.09 2.12 3n5lB1 GLU 285 HB3 -0.07 0.15 0.18 -0.04 1.99 2.21 3n5lB1 GLU 285 HG2 -0.02 0.01 -0.01 -0.04 2.34 2.28 3n5lB1 GLU 285 HG3 -0.02 0.00 -0.18 -0.04 2.34 2.10 3n5lB1 LEU 286 H -0.16 0.59 -0.18 -0.55 8.37 8.08 3n5lB1 LEU 286 HA -0.02 -0.01 0.51 -0.75 4.35 4.07 3n5lB1 LEU 286 HB2 -0.16 0.14 0.16 -0.04 1.64 1.73 3n5lB1 LEU 286 HB3 -0.03 -0.04 0.01 -0.04 1.64 1.54 3n5lB1 LEU 286 HG -0.08 0.08 0.05 -0.04 1.64 1.65 3n5lB1 LEU 286 HD13 -0.06 -0.01 -0.13 -0.04 0.93 0.68 3n5lB1 LEU 286 HD23 -0.02 -0.02 -0.00 -0.04 0.89 0.81 3n5lB1 PHE 287 H -0.25 0.68 -0.02 -0.55 8.34 8.19 3n5lB1 PHE 287 HA -0.10 0.02 0.50 -0.75 4.62 4.28 3n5lB1 PHE 287 HB2 -0.74 0.08 0.17 -0.04 3.15 2.63 3n5lB1 PHE 287 HB3 -0.66 -0.04 -0.02 -0.04 3.06 2.30 3n5lB1 PHE 287 HD2 -0.25 -0.04 -0.02 -0.04 7.28 6.93 3n5lB1 PHE 287 HE2 -0.02 -0.01 -0.03 -0.04 7.38 7.27 3n5lB1 PHE 287 HZ -0.01 0.00 -0.03 -0.04 7.32 7.24 3n5lB1 LYS 288 H -0.10 0.59 -0.20 -0.55 8.42 8.15 3n5lB1 LYS 288 HA 0.27 0.02 0.45 -0.75 4.32 4.31 3n5lB1 LYS 288 HB2 0.07 0.01 0.10 -0.04 1.87 2.01 3n5lB1 LYS 288 HB3 0.05 0.13 0.15 -0.04 1.79 2.08 3n5lB1 LYS 288 HG2 0.11 -0.02 -0.27 -0.04 1.46 1.24 3n5lB1 LYS 288 HG3 0.17 0.01 -0.07 -0.04 1.46 1.53 3n5lB1 LYS 288 HD2 0.14 0.04 -0.06 -0.04 1.69 1.76 3n5lB1 LYS 288 HD3 0.13 -0.01 -0.04 -0.04 1.68 1.72 3n5lB1 LYS 288 HE2 0.06 0.08 -0.13 -0.04 2.99 2.96 3n5lB1 LYS 288 HE3 0.02 -0.03 -0.05 -0.04 2.99 2.90 3n5lB1 GLN 289 H 0.03 0.64 0.03 -0.55 8.47 8.63 3n5lB1 GLN 289 HA 0.05 0.00 0.49 -0.75 4.36 4.15 3n5lB1 GLN 289 HB2 0.02 0.07 0.17 -0.04 2.15 2.37 3n5lB1 GLN 289 HB3 0.03 -0.05 0.02 -0.04 2.02 1.98 3n5lB1 GLN 289 HG2 0.04 -0.05 0.04 -0.04 2.40 2.38 3n5lB1 GLN 289 HG3 0.03 0.15 0.09 -0.04 2.39 2.62 3n5lB1 GLN 289 HE21 -0.00 -0.02 -0.04 -0.04 6.97 6.87 3n5lB1 GLN 289 HE22 0.01 -0.02 -0.03 -0.04 7.69 7.61 3n5lB1 ARG 290 H 0.07 0.62 -0.25 -0.55 8.46 8.35 3n5lB1 ARG 290 HA 0.04 -0.02 0.38 -0.75 4.34 4.00 3n5lB1 ARG 290 HB2 0.07 0.04 0.11 -0.04 1.90 2.09 3n5lB1 ARG 290 HB3 0.10 0.09 0.16 -0.04 1.80 2.10 3n5lB1 ARG 290 HG2 0.04 -0.04 -0.11 -0.04 1.67 1.51 3n5lB1 ARG 290 HG3 0.04 -0.04 0.03 -0.04 1.67 1.67 3n5lB1 ARG 290 HD2 0.08 -0.00 -0.04 -0.04 3.22 3.22 3n5lB1 ARG 290 HD3 0.03 0.02 -0.07 -0.04 3.22 3.17 3n5lB1 THR 291 H 0.11 0.66 -0.04 -0.55 8.28 8.47 3n5lB1 THR 291 HA 0.05 0.01 0.55 -0.75 4.39 4.25 3n5lB1 THR 291 HB 0.18 0.02 0.12 -0.04 4.32 4.60 3n5lB1 THR 291 HG23 0.02 -0.01 -0.13 -0.04 1.22 1.05 3n5lB1 ASP 292 H 0.08 0.64 -0.10 -0.55 8.40 8.47 3n5lB1 ASP 292 HA 0.04 0.02 0.45 -0.75 4.63 4.39 3n5lB1 ASP 292 HB2 0.05 0.09 0.16 -0.04 2.71 2.97 3n5lB1 ASP 292 HB3 0.04 -0.08 -0.00 -0.04 2.70 2.61 3n5lB1 VAL 293 H 0.04 0.54 -0.20 -0.55 8.24 8.06 3n5lB1 VAL 293 HA 0.02 -0.03 0.42 -0.75 4.13 3.79 3n5lB1 VAL 293 HB 0.03 0.13 0.18 -0.04 2.12 2.42 3n5lB1 VAL 293 HG13 0.02 -0.03 -0.10 -0.04 0.97 0.81 3n5lB1 VAL 293 HG23 0.02 0.00 0.02 -0.04 0.95 0.96 3n5lB1 ALA 294 H 0.03 0.58 -0.04 -0.55 8.40 8.42 3n5lB1 ALA 294 HA 0.01 -0.03 0.32 -0.75 4.34 3.89 3n5lB1 ALA 294 HB3 0.01 0.00 0.10 -0.04 1.41 1.49 3n5lB1 ASN 295 H 0.02 0.54 -0.27 -0.55 8.53 8.27 3n5lB1 ASN 295 HA -0.00 0.02 0.39 -0.75 4.76 4.41 3n5lB1 ASN 295 HB2 0.01 0.08 0.10 -0.04 2.88 3.03 3n5lB1 ASN 295 HB3 0.00 -0.12 0.02 -0.04 2.79 2.66 3n5lB1 ASN 295 HD21 -0.01 0.41 0.13 -0.04 7.03 7.52 3n5lB1 ASN 295 HD22 0.01 -0.15 -0.02 -0.04 7.74 7.54 3n5lB1 ASN 296 H 0.01 0.44 -0.51 -0.55 8.53 7.92 3n5lB1 ASN 296 HA 0.00 -0.04 0.57 -0.75 4.76 4.54 3n5lB1 ASN 296 HB2 0.01 0.16 0.14 -0.04 2.88 3.15 3n5lB1 ASN 296 HB3 0.01 0.09 0.24 -0.04 2.79 3.08 3n5lB1 ASN 296 HD21 0.01 -0.04 -0.04 -0.04 7.03 6.91 3n5lB1 ASN 296 HD22 0.01 0.05 -0.01 -0.04 7.74 7.75 3n5lB1 ALA 297 H -0.00 0.20 0.26 -0.55 8.40 8.31 3n5lB1 ALA 297 HA -0.00 0.18 0.43 -0.75 4.34 4.19 3n5lB1 ALA 297 HB3 -0.00 0.01 0.12 -0.04 1.41 1.49 3n5lB1 ASN 298 H 0.00 0.02 -0.35 -0.55 8.53 7.65 3n5lB1 ASN 298 HA 0.00 0.17 0.65 -0.75 4.76 4.83 3n5lB1 ASN 298 HB2 0.00 -0.02 -0.01 -0.04 2.88 2.82 3n5lB1 ASN 298 HB3 0.00 -0.02 0.06 -0.04 2.79 2.79 3n5lB1 ASN 298 HD21 -0.00 0.02 -0.01 -0.04 7.03 6.99 3n5lB1 ASN 298 HD22 0.00 -0.01 -0.01 -0.04 7.74 7.68 3n5lB1 LEU 299 H 0.00 0.32 -0.26 -0.55 8.37 7.88 3n5lB1 LEU 299 HA 0.00 0.01 0.59 -0.75 4.35 4.20 3n5lB1 LEU 299 HB2 0.01 0.20 0.05 -0.04 1.64 1.85 3n5lB1 LEU 299 HB3 0.01 -0.10 0.02 -0.04 1.64 1.52 3n5lB1 LEU 299 HG 0.01 -0.04 0.00 -0.04 1.64 1.57 3n5lB1 LEU 299 HD13 0.01 0.04 0.02 -0.04 0.93 0.97 3n5lB1 LEU 299 HD23 0.01 -0.02 -0.05 -0.04 0.89 0.79 3n5lB1 GLY 300 H 0.00 0.04 0.16 -0.55 8.43 8.09 3n5lB1 GLY 300 HA2 0.00 0.20 0.57 -0.51 4.01 4.27 3n5lB1 GLY 300 HA3 0.00 -0.04 0.37 -0.51 4.01 3.83 3n5lB1 ALA 301 H 0.00 0.18 0.17 -0.55 8.40 8.21 3n5lB1 ALA 301 HA 0.00 0.19 0.38 -0.75 4.34 4.16 3n5lB1 ALA 301 HB3 0.00 0.02 0.13 -0.04 1.41 1.52 3n5lB1 GLU 302 H 0.00 0.10 -0.03 -0.55 8.60 8.13 3n5lB1 GLU 302 HA 0.00 0.12 0.41 -0.75 4.29 4.07 3n5lB1 GLU 302 HB2 0.00 0.04 0.09 -0.04 2.09 2.19 3n5lB1 GLU 302 HB3 0.00 -0.03 0.07 -0.04 1.99 1.99 3n5lB1 GLU 302 HG2 0.00 0.01 -0.23 -0.04 2.34 2.09 3n5lB1 GLU 302 HG3 0.00 0.01 0.04 -0.04 2.34 2.35 3n5lB1 GLU 303 H 0.00 0.00 -0.30 -0.55 8.60 7.75 3n5lB1 GLU 303 HA 0.00 0.06 0.38 -0.75 4.29 3.98 3n5lB1 GLU 303 HB2 0.00 -0.03 0.11 -0.04 2.09 2.13 3n5lB1 GLU 303 HB3 0.00 0.07 0.13 -0.04 1.99 2.15 3n5lB1 GLU 303 HG2 0.01 0.07 -0.18 -0.04 2.34 2.19 3n5lB1 GLU 303 HG3 0.01 0.01 0.03 -0.04 2.34 2.35 3n5lB1 LYS 304 H 0.00 0.74 -0.17 -0.55 8.42 8.45 3n5lB1 LYS 304 HA 0.01 0.01 0.44 -0.75 4.32 4.03 3n5lB1 LYS 304 HB2 0.01 0.04 0.01 -0.04 1.87 1.88 3n5lB1 LYS 304 HB3 0.00 0.06 0.08 -0.04 1.79 1.89 3n5lB1 LYS 304 HG2 0.01 -0.09 -0.27 -0.04 1.46 1.07 3n5lB1 LYS 304 HG3 0.01 -0.01 -0.08 -0.04 1.46 1.34 3n5lB1 LYS 304 HD2 0.00 -0.07 -0.04 -0.04 1.69 1.54 3n5lB1 LYS 304 HD3 0.01 -0.00 -0.00 -0.04 1.68 1.64 3n5lB1 LYS 304 HE2 0.01 0.15 0.07 -0.04 2.99 3.18 3n5lB1 LYS 304 HE3 0.00 -0.09 -0.02 -0.04 2.99 2.85 3n5lB1 ALA 305 H 0.01 0.60 -0.10 -0.55 8.40 8.35 3n5lB1 ALA 305 HA 0.01 0.03 0.39 -0.75 4.34 4.01 3n5lB1 ALA 305 HB3 0.00 -0.00 0.11 -0.04 1.41 1.48 3n5lB1 ALA 306 H 0.01 0.62 -0.14 -0.55 8.40 8.33 3n5lB1 ALA 306 HA 0.01 0.01 0.48 -0.75 4.34 4.08 3n5lB1 ALA 306 HB3 0.01 0.01 0.09 -0.04 1.41 1.47 3n5lB1 LYS 307 H 0.01 0.53 -0.10 -0.55 8.42 8.30 3n5lB1 LYS 307 HA 0.01 -0.02 0.43 -0.75 4.32 3.99 3n5lB1 LYS 307 HB2 0.01 0.15 0.22 -0.04 1.87 2.21 3n5lB1 LYS 307 HB3 0.01 -0.03 0.00 -0.04 1.79 1.73 3n5lB1 LYS 307 HG2 0.01 -0.05 0.05 -0.04 1.46 1.42 3n5lB1 LYS 307 HG3 0.01 0.01 0.07 -0.04 1.46 1.51 3n5lB1 LYS 307 HD2 0.01 -0.02 -0.08 -0.04 1.69 1.56 3n5lB1 LYS 307 HD3 0.01 0.03 -0.00 -0.04 1.68 1.68 3n5lB1 LYS 307 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.93 3n5lB1 LYS 307 HE3 0.01 -0.00 -0.01 -0.04 2.99 2.95 3n5lB1 LEU 308 H 0.01 0.66 -0.10 -0.55 8.37 8.40 3n5lB1 LEU 308 HA 0.02 0.01 0.40 -0.75 4.35 4.03 3n5lB1 LEU 308 HB2 0.01 0.10 0.12 -0.04 1.64 1.83 3n5lB1 LEU 308 HB3 0.02 -0.05 -0.00 -0.04 1.64 1.56 3n5lB1 LEU 308 HG 0.01 0.10 0.02 -0.04 1.64 1.73 3n5lB1 LEU 308 HD13 0.01 -0.01 -0.07 -0.04 0.93 0.82 3n5lB1 LEU 308 HD23 0.02 -0.03 0.02 -0.04 0.89 0.87 3n5lB1 LYS 309 H 0.01 0.53 -0.12 -0.55 8.42 8.28 3n5lB1 LYS 309 HA 0.01 0.01 0.52 -0.75 4.32 4.11 3n5lB1 LYS 309 HB2 0.01 0.04 0.15 -0.04 1.87 2.02 3n5lB1 LYS 309 HB3 0.01 0.15 0.21 -0.04 1.79 2.11 3n5lB1 LYS 309 HG2 0.01 -0.02 -0.01 -0.04 1.46 1.39 3n5lB1 LYS 309 HG3 0.01 -0.02 -0.23 -0.04 1.46 1.18 3n5lB1 LYS 309 HD2 0.01 -0.06 0.07 -0.04 1.69 1.67 3n5lB1 LYS 309 HD3 0.01 0.02 0.03 -0.04 1.68 1.70 3n5lB1 LYS 309 HE2 0.01 0.00 -0.01 -0.04 2.99 2.95 3n5lB1 LYS 309 HE3 0.01 -0.01 -0.03 -0.04 2.99 2.91 3n5lB1 ALA 310 H 0.01 0.58 -0.14 -0.55 8.40 8.30 3n5lB1 ALA 310 HA 0.01 -0.01 0.42 -0.75 4.34 4.00 3n5lB1 ALA 310 HB3 0.01 0.03 0.13 -0.04 1.41 1.53 3n5lB1 LEU 311 H 0.02 0.62 -0.05 -0.55 8.37 8.40 3n5lB1 LEU 311 HA 0.01 -0.02 0.44 -0.75 4.35 4.03 3n5lB1 LEU 311 HB2 0.03 0.12 0.17 -0.04 1.64 1.93 3n5lB1 LEU 311 HB3 0.03 -0.03 0.02 -0.04 1.64 1.62 3n5lB1 LEU 311 HG 0.02 0.03 0.06 -0.04 1.64 1.71 3n5lB1 LEU 311 HD13 0.03 -0.01 -0.14 -0.04 0.93 0.76 3n5lB1 LEU 311 HD23 0.01 -0.02 0.01 -0.04 0.89 0.85 3n5lB1 ASP 312 H 0.02 0.64 -0.16 -0.55 8.40 8.36 3n5lB1 ASP 312 HA 0.04 -0.01 0.50 -0.75 4.63 4.40 3n5lB1 ASP 312 HB2 0.02 0.13 0.22 -0.04 2.71 3.04 3n5lB1 ASP 312 HB3 0.02 -0.07 0.03 -0.04 2.70 2.64 3n5lB1 GLU 313 H 0.01 0.57 -0.14 -0.55 8.60 8.50 3n5lB1 GLU 313 HA 0.01 0.01 0.60 -0.75 4.29 4.16 3n5lB1 GLU 313 HB2 0.01 0.15 0.19 -0.04 2.09 2.40 3n5lB1 GLU 313 HB3 0.00 -0.06 0.03 -0.04 1.99 1.92 3n5lB1 GLU 313 HG2 0.01 -0.05 0.05 -0.04 2.34 2.30 3n5lB1 GLU 313 HG3 0.01 0.02 0.02 -0.04 2.34 2.36 3n5lB1 GLU 314 H 0.01 0.54 -0.06 -0.55 8.60 8.54 3n5lB1 GLU 314 HA -0.00 -0.01 0.47 -0.75 4.29 4.00 3n5lB1 GLU 314 HB2 0.00 0.18 0.22 -0.04 2.09 2.46 3n5lB1 GLU 314 HB3 -0.01 -0.05 -0.05 -0.04 1.99 1.84 3n5lB1 GLU 314 HG2 -0.01 -0.05 0.05 -0.04 2.34 2.29 3n5lB1 GLU 314 HG3 -0.00 0.10 0.04 -0.04 2.34 2.44 3n5lB1 LEU 315 H 0.01 0.63 -0.09 -0.55 8.37 8.38 3n5lB1 LEU 315 HA -0.02 0.00 0.50 -0.75 4.35 4.08 3n5lB1 LEU 315 HB2 0.05 0.12 0.19 -0.04 1.64 1.96 3n5lB1 LEU 315 HB3 0.07 -0.02 -0.03 -0.04 1.64 1.62 3n5lB1 LEU 315 HG 0.02 0.00 0.00 -0.04 1.64 1.62 3n5lB1 LEU 315 HD13 0.19 0.00 -0.13 -0.04 0.93 0.96 3n5lB1 LEU 315 HD23 -0.08 -0.01 0.02 -0.04 0.89 0.78 3n5lB1 ALA 316 H 0.02 0.60 -0.14 -0.55 8.40 8.33 3n5lB1 ALA 316 HA 0.02 0.03 0.41 -0.75 4.34 4.04 3n5lB1 ALA 316 HB3 0.01 0.03 0.13 -0.04 1.41 1.54 3n5lB1 LYS 317 H 0.00 0.57 -0.15 -0.55 8.42 8.29 3n5lB1 LYS 317 HA -0.00 0.00 0.43 -0.75 4.32 4.00 3n5lB1 LYS 317 HB2 -0.00 0.00 0.13 -0.04 1.87 1.96 3n5lB1 LYS 317 HB3 -0.01 0.00 0.18 -0.04 1.79 1.92 3n5lB1 LYS 317 HG2 -0.01 0.00 -0.11 -0.04 1.46 1.29 3n5lB1 LYS 317 HG3 -0.01 0.00 0.04 -0.04 1.46 1.46 3n5lB1 LYS 317 HD2 -0.00 0.00 0.00 -0.04 1.69 1.65 3n5lB1 LYS 317 HD3 -0.01 0.00 0.01 -0.04 1.68 1.64 3n5lB1 LYS 317 HE2 -0.01 0.00 -0.01 -0.04 2.99 2.93 3n5lB1 LYS 317 HE3 -0.01 0.00 -0.03 -0.04 2.99 2.91 3n5lB1 LEU 318 H -0.02 0.61 -0.12 -0.55 8.37 8.30 3n5lB1 LEU 318 HA -0.03 -0.02 0.44 -0.75 4.35 3.99 3n5lB1 LEU 318 HB2 -0.04 0.01 0.11 -0.04 1.64 1.67 3n5lB1 LEU 318 HB3 -0.05 0.10 0.17 -0.04 1.64 1.83 3n5lB1 LEU 318 HG -0.07 0.03 -0.24 -0.04 1.64 1.32 3n5lB1 LEU 318 HD13 -0.05 -0.03 0.04 -0.04 0.93 0.85 3n5lB1 LEU 318 HD23 -0.12 0.01 -0.13 -0.04 0.89 0.61 3n5lB1 GLU 319 H -0.01 0.67 -0.09 -0.55 8.60 8.62 3n5lB1 GLU 319 HA -0.01 0.03 0.35 -0.75 4.29 3.90 3n5lB1 GLU 319 HB2 0.02 0.04 0.11 -0.04 2.09 2.21 3n5lB1 GLU 319 HB3 0.02 -0.03 0.06 -0.04 1.99 2.00 3n5lB1 GLU 319 HG2 0.00 -0.05 0.01 -0.04 2.34 2.26 3n5lB1 GLU 319 HG3 -0.01 0.05 0.07 -0.04 2.34 2.41 3n5lB1 LYS 320 H -0.00 0.40 -0.27 -0.55 8.42 7.99 3n5lB1 LYS 320 HA 0.00 0.03 0.56 -0.75 4.32 4.15 3n5lB1 LYS 320 HB2 0.00 0.03 0.12 -0.04 1.87 1.98 3n5lB1 LYS 320 HB3 -0.00 0.08 0.15 -0.04 1.79 1.97 3n5lB1 LYS 320 HG2 -0.00 -0.03 -0.18 -0.04 1.46 1.21 3n5lB1 LYS 320 HG3 0.00 -0.02 0.04 -0.04 1.46 1.44 3n5lB1 LYS 320 HD2 0.00 -0.00 -0.01 -0.04 1.69 1.64 3n5lB1 LYS 320 HD3 0.00 -0.02 -0.02 -0.04 1.68 1.60 3n5lB1 LYS 320 HE2 0.00 -0.01 -0.03 -0.04 2.99 2.92 3n5lB1 LYS 320 HE3 0.00 -0.01 -0.01 -0.04 2.99 2.93 3n5lB1 ARG 321 H -0.01 0.42 -0.16 -0.55 8.46 8.15 3n5lB1 ARG 321 HA -0.01 -0.04 0.32 -0.75 4.34 3.86 3n5lB1 ARG 321 HB2 -0.01 0.01 0.13 -0.04 1.90 1.99 3n5lB1 ARG 321 HB3 -0.02 0.20 0.20 -0.04 1.80 2.14 3n5lB1 ARG 321 HG2 -0.02 -0.04 0.10 -0.04 1.67 1.67 3n5lB1 ARG 321 HG3 -0.01 -0.05 0.09 -0.04 1.67 1.65 3n5lB1 ARG 321 HD2 -0.01 0.01 0.02 -0.04 3.22 3.20 3n5lB1 ARG 321 HD3 -0.02 0.01 0.03 -0.04 3.22 3.20 3n5lB1 ALA 323 HA 0.00 -0.05 0.30 -0.75 4.34 3.84 3n5lB1 ALA 323 HB3 0.00 -0.00 0.10 -0.04 1.41 1.47 3n5lB1 GLU 324 H -0.00 0.64 -0.55 -0.55 8.60 8.14 3n5lB1 GLU 324 HA -0.00 -0.01 0.47 -0.75 4.29 3.99 3n5lB1 GLU 324 HB2 -0.00 0.11 0.17 -0.04 2.09 2.33 3n5lB1 GLU 324 HB3 -0.00 -0.11 -0.00 -0.04 1.99 1.84 3n5lB1 GLU 324 HG2 -0.00 -0.08 0.02 -0.04 2.34 2.23 3n5lB1 GLU 324 HG3 -0.00 0.04 0.01 -0.04 2.34 2.35 3n5lB1 ARG 325 H -0.01 0.92 0.26 -0.55 8.46 9.08 3n5lB1 ARG 325 HA -0.01 0.00 0.40 -0.75 4.34 3.98 3n5lB1 ARG 325 HB2 -0.01 0.00 0.13 -0.04 1.90 1.97 3n5lB1 ARG 325 HB3 -0.01 0.00 0.17 -0.04 1.80 1.91 3n5lB1 ARG 325 HG2 -0.01 0.00 0.05 -0.04 1.67 1.67 3n5lB1 ARG 325 HG3 -0.01 -0.01 -0.05 -0.04 1.67 1.57 3n5lB1 ARG 325 HD2 -0.01 0.06 0.07 -0.04 3.22 3.29 3n5lB1 ARG 325 HD3 -0.01 -0.04 0.06 -0.04 3.22 3.18 3n5lB1 GLU 326 H -0.01 0.40 -0.84 -0.55 8.60 7.60 3n5lB1 GLU 326 HA -0.01 0.08 0.53 -0.75 4.29 4.14 3n5lB1 GLU 326 HB2 -0.00 0.06 0.06 -0.04 2.09 2.17 3n5lB1 GLU 326 HB3 -0.01 -0.03 0.10 -0.04 1.99 2.01 3n5lB1 GLU 326 HG2 -0.01 -0.01 -0.02 -0.04 2.34 2.26 3n5lB1 GLU 326 HG3 -0.01 -0.03 -0.62 -0.04 2.34 1.64 3n5lB1 GLN 327 H -0.01 0.14 -0.15 -0.55 8.47 7.91 3n5lB1 GLN 327 HA -0.00 0.13 0.40 -0.75 4.36 4.13