============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 7 1.000 9.237 -6.706 -5.467 -99.200 -91.000 PHE 9 1.000 2.183 -13.574 -2.250 -99.200 -91.000 HIS 16 0.900 -9.037 -5.926 -11.094 -99.200 -91.000 TYR 19 0.840 2.074 -1.772 -11.098 -99.200 -91.000 HIS 24 0.900 7.102 -0.323 -8.787 -99.200 -91.000 TYR 32 0.840 0.439 5.043 1.322 -99.200 -91.000 TYR 40 0.840 -14.101 11.156 7.151 -99.200 -91.000 TYR 45 0.840 -4.380 11.490 -3.163 -99.200 -91.000 TYR 52 0.840 5.858 7.879 -7.422 -99.200 -91.000 TYR 55 0.840 12.537 10.641 1.097 -99.200 -91.000 PHE 60 1.000 8.786 5.668 -1.126 -99.200 -91.000 PHE 65 1.000 -1.211 -3.151 -4.960 -99.200 -91.000 PHE 70 1.000 -18.590 -4.320 -6.446 -99.200 -91.000 PHE 84 1.000 -19.462 8.214 0.345 -99.200 -91.000 PHE 89 1.000 -5.544 7.234 -4.607 -99.200 -91.000 PHE 93 1.000 -0.013 7.625 -4.684 -99.200 -91.000 HIS 107 0.900 -3.600 -10.048 -4.967 -99.200 -91.000 TYR 110 0.840 -2.537 -5.299 -0.217 -99.200 -91.000 TYR 112 0.840 5.281 -11.530 1.942 -99.200 -91.000 TRP 128 1.040 -6.187 1.247 9.726 -99.200 -91.000 TRP6 128 1.020 -5.253 -0.652 8.714 -99.200 -91.000 PHE 130 1.000 -4.960 7.220 0.436 -99.200 -91.000 PHE 133 1.000 0.658 -3.737 4.710 -99.200 -91.000 PHE 145 1.000 5.306 3.682 8.331 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2rm5A20 GLY 10 HA2 -0.01 -0.04 0.18 -0.51 4.01 3.62 2rm5A20 GLY 10 HA3 -0.01 -0.04 0.09 -0.51 4.01 3.54 2rm5A20 MET 11 H -0.02 0.22 0.05 -0.55 8.47 8.17 2rm5A20 MET 11 HA -0.12 0.14 0.87 -0.75 4.52 4.66 2rm5A20 MET 11 HB2 -0.04 -0.00 0.03 -0.04 2.15 2.10 2rm5A20 MET 11 HB3 -0.10 -0.01 -0.02 -0.04 2.03 1.85 2rm5A20 MET 11 HG2 -0.04 -0.00 -0.43 -0.04 2.63 2.11 2rm5A20 MET 11 HG3 -0.05 -0.03 -0.08 -0.04 2.56 2.37 2rm5A20 MET 11 HE3 -0.15 -0.02 0.02 -0.04 2.10 1.91 2rm5A20 GLY 12 H -0.27 0.15 0.09 -0.55 8.43 7.86 2rm5A20 GLY 12 HA2 -0.27 0.04 0.27 -0.51 4.01 3.53 2rm5A20 GLY 12 HA3 0.02 0.10 0.36 -0.51 4.01 3.99 2rm5A20 SER 13 H -0.11 -0.02 -0.15 -0.55 8.46 7.64 2rm5A20 SER 13 HA 0.07 0.24 0.74 -0.75 4.49 4.79 2rm5A20 SER 13 HB2 -0.00 -0.07 -0.01 -0.04 3.95 3.83 2rm5A20 SER 13 HB3 0.03 0.02 -0.05 -0.04 3.93 3.89 2rm5A20 SER 14 H -0.10 -0.03 0.06 -0.55 8.46 7.84 2rm5A20 SER 14 HA 0.01 0.37 0.72 -0.75 4.49 4.84 2rm5A20 SER 14 HB2 0.05 0.07 0.17 -0.04 3.95 4.20 2rm5A20 SER 14 HB3 0.09 0.04 -0.18 -0.04 3.93 3.84 2rm5A20 ILE 15 H -0.20 0.87 0.33 -0.55 8.25 8.70 2rm5A20 ILE 15 HA -0.24 0.08 0.43 -0.75 4.18 3.70 2rm5A20 ILE 15 HB -0.29 -0.05 0.01 -0.04 1.89 1.51 2rm5A20 ILE 15 HG12 -0.70 -0.03 0.17 -0.04 1.49 0.89 2rm5A20 ILE 15 HG13 -1.51 -0.01 -0.12 -0.04 1.21 -0.48 2rm5A20 ILE 15 HG23 -0.04 0.10 -0.02 -0.04 0.93 0.92 2rm5A20 ILE 15 HD13 -0.43 0.02 -0.14 -0.04 0.88 0.28 2rm5A20 PHE 16 H -0.23 0.14 -0.38 -0.55 8.34 7.31 2rm5A20 PHE 16 HA 0.07 0.07 0.14 -0.75 4.62 4.14 2rm5A20 PHE 16 HB2 0.00 0.05 -0.04 -0.04 3.15 3.11 2rm5A20 PHE 16 HB3 0.02 -0.02 0.08 -0.04 3.06 3.09 2rm5A20 PHE 16 HD2 0.05 -0.00 -0.21 -0.04 7.28 7.08 2rm5A20 PHE 16 HE2 0.11 0.10 -0.55 -0.04 7.38 7.00 2rm5A20 PHE 16 HZ 0.11 0.30 -0.52 -0.04 7.32 7.17 2rm5A20 ASP 17 H -0.00 0.30 -0.70 -0.55 8.40 7.45 2rm5A20 ASP 17 HA -0.06 0.13 0.58 -0.75 4.63 4.53 2rm5A20 ASP 17 HB2 -0.16 -0.11 0.11 -0.04 2.71 2.51 2rm5A20 ASP 17 HB3 -0.48 0.07 0.07 -0.04 2.70 2.32 2rm5A20 PHE 18 H 0.21 0.30 -0.23 -0.55 8.34 8.07 2rm5A20 PHE 18 HA 0.01 0.15 0.70 -0.75 4.62 4.73 2rm5A20 PHE 18 HB2 -0.00 0.15 0.07 -0.04 3.15 3.33 2rm5A20 PHE 18 HB3 0.09 -0.16 0.12 -0.04 3.06 3.08 2rm5A20 PHE 18 HD2 -0.14 0.03 -0.03 -0.04 7.28 7.11 2rm5A20 PHE 18 HE2 -0.32 0.04 -0.11 -0.04 7.38 6.95 2rm5A20 PHE 18 HZ 0.04 0.06 -0.06 -0.04 7.32 7.32 2rm5A20 GLU 19 H 0.33 0.09 0.16 -0.55 8.60 8.63 2rm5A20 GLU 19 HA 0.17 0.19 0.87 -0.75 4.29 4.78 2rm5A20 GLU 19 HB2 0.12 0.05 0.00 -0.04 2.09 2.22 2rm5A20 GLU 19 HB3 0.20 -0.05 0.09 -0.04 1.99 2.19 2rm5A20 GLU 19 HG2 0.12 -0.02 -0.05 -0.04 2.34 2.35 2rm5A20 GLU 19 HG3 0.15 0.07 -0.13 -0.04 2.34 2.38 2rm5A20 VAL 20 H 0.19 0.26 0.22 -0.55 8.24 8.37 2rm5A20 VAL 20 HA 0.14 0.15 0.98 -0.75 4.13 4.65 2rm5A20 VAL 20 HB 0.34 0.13 0.09 -0.04 2.12 2.64 2rm5A20 VAL 20 HG13 0.17 -0.01 -0.13 -0.04 0.97 0.96 2rm5A20 VAL 20 HG23 0.35 0.01 -0.20 -0.04 0.95 1.07 2rm5A20 LEU 21 H -0.02 0.19 0.19 -0.55 8.37 8.17 2rm5A20 LEU 21 HA 0.06 0.02 0.84 -0.75 4.35 4.51 2rm5A20 LEU 21 HB2 -0.23 -0.02 0.09 -0.04 1.64 1.43 2rm5A20 LEU 21 HB3 -0.05 -0.10 -0.04 -0.04 1.64 1.42 2rm5A20 LEU 21 HG 0.10 0.02 -0.42 -0.04 1.64 1.30 2rm5A20 LEU 21 HD13 0.11 -0.00 -0.06 -0.04 0.93 0.94 2rm5A20 LEU 21 HD23 0.18 0.06 -0.06 -0.04 0.89 1.02 2rm5A20 ASP 22 H 0.03 0.95 0.18 -0.55 8.40 9.01 2rm5A20 ASP 22 HA -0.27 0.15 0.55 -0.75 4.63 4.30 2rm5A20 ASP 22 HB2 0.12 0.11 0.07 -0.04 2.71 2.97 2rm5A20 ASP 22 HB3 0.02 -0.10 0.11 -0.04 2.70 2.70 2rm5A20 ALA 23 H -0.18 0.29 0.21 -0.55 8.40 8.17 2rm5A20 ALA 23 HA -0.18 0.59 0.07 -0.75 4.34 4.07 2rm5A20 ALA 23 HB3 -0.13 0.01 0.11 -0.04 1.41 1.36 2rm5A20 ASP 24 H -0.02 0.03 -0.35 -0.55 8.40 7.51 2rm5A20 ASP 24 HA 0.10 0.20 0.54 -0.75 4.63 4.71 2rm5A20 ASP 24 HB2 0.02 -0.06 0.01 -0.04 2.71 2.64 2rm5A20 ASP 24 HB3 0.04 0.06 0.08 -0.04 2.70 2.84 2rm5A20 HIS 25 H -0.00 0.64 -0.60 -0.55 8.41 7.90 2rm5A20 HIS 25 HA 0.01 -0.03 0.19 -0.75 4.63 4.05 2rm5A20 HIS 25 HB2 0.03 0.26 0.08 -0.04 3.26 3.59 2rm5A20 HIS 25 HB3 0.04 -0.04 0.18 -0.04 3.20 3.34 2rm5A20 HIS 25 HD2 0.00 0.08 -0.22 -0.04 6.97 6.79 2rm5A20 HIS 25 HE1 0.07 0.07 -0.00 -0.04 7.75 7.85 2rm5A20 LYS 26 H 0.06 -0.10 -0.36 -0.55 8.42 7.46 2rm5A20 LYS 26 HA 0.07 0.27 0.79 -0.75 4.32 4.70 2rm5A20 LYS 26 HB2 0.05 -0.10 -0.01 -0.04 1.87 1.77 2rm5A20 LYS 26 HB3 0.04 0.10 0.02 -0.04 1.79 1.91 2rm5A20 LYS 26 HG2 0.04 -0.15 -0.21 -0.04 1.46 1.11 2rm5A20 LYS 26 HG3 0.03 0.01 -0.04 -0.04 1.46 1.41 2rm5A20 LYS 26 HD2 0.03 -0.01 -0.06 -0.04 1.69 1.62 2rm5A20 LYS 26 HD3 0.04 0.03 -0.01 -0.04 1.68 1.69 2rm5A20 LYS 26 HE2 0.07 0.12 -0.35 -0.04 2.99 2.79 2rm5A20 LYS 26 HE3 0.07 0.22 -0.37 -0.04 2.99 2.87 2rm5A20 PRO 27 HA 0.09 0.13 0.32 -0.51 4.44 4.47 2rm5A20 PRO 27 HB2 0.04 -0.01 0.12 -0.04 2.28 2.39 2rm5A20 PRO 27 HB3 0.06 0.06 0.06 -0.04 2.02 2.16 2rm5A20 PRO 27 HG2 0.04 0.03 0.09 -0.04 2.03 2.15 2rm5A20 PRO 27 HG3 0.06 0.07 0.08 -0.04 2.03 2.21 2rm5A20 PRO 27 HD2 0.05 0.08 0.16 -0.04 3.68 3.92 2rm5A20 PRO 27 HD3 0.06 0.23 0.25 -0.04 3.65 4.15 2rm5A20 TYR 28 H 0.16 0.25 0.24 -0.55 8.29 8.38 2rm5A20 TYR 28 HA 0.01 0.09 0.69 -0.75 4.56 4.60 2rm5A20 TYR 28 HB2 -0.06 -0.06 -0.34 -0.04 3.06 2.56 2rm5A20 TYR 28 HB3 -0.01 -0.09 -0.38 -0.04 2.98 2.46 2rm5A20 TYR 28 HD2 0.04 -0.05 -0.18 -0.04 7.15 6.91 2rm5A20 TYR 28 HE2 0.15 0.02 -0.12 -0.04 6.85 6.86 2rm5A20 ASN 29 H -0.27 0.22 0.06 -0.55 8.53 7.99 2rm5A20 ASN 29 HA -0.04 0.11 0.61 -0.75 4.76 4.68 2rm5A20 ASN 29 HB2 -0.10 0.08 0.08 -0.04 2.88 2.90 2rm5A20 ASN 29 HB3 -0.22 0.02 0.19 -0.04 2.79 2.73 2rm5A20 ASN 29 HD21 -0.14 0.03 -0.01 -0.04 7.03 6.88 2rm5A20 ASN 29 HD22 -0.11 0.06 -0.08 -0.04 7.74 7.56 2rm5A20 LEU 30 H 0.11 0.37 0.21 -0.55 8.37 8.50 2rm5A20 LEU 30 HA 0.32 0.08 0.17 -0.75 4.35 4.16 2rm5A20 LEU 30 HB2 0.44 0.02 -0.05 -0.04 1.64 2.00 2rm5A20 LEU 30 HB3 0.37 0.01 0.02 -0.04 1.64 1.99 2rm5A20 LEU 30 HG 0.79 -0.01 -0.34 -0.04 1.64 2.04 2rm5A20 LEU 30 HD13 0.15 0.01 -0.26 -0.04 0.93 0.79 2rm5A20 LEU 30 HD23 0.22 -0.03 0.12 -0.04 0.89 1.16 2rm5A20 VAL 31 H 0.03 0.08 -0.37 -0.55 8.24 7.43 2rm5A20 VAL 31 HA -0.90 0.10 0.05 -0.75 4.13 2.63 2rm5A20 VAL 31 HB 0.02 0.05 0.09 -0.04 2.12 2.24 2rm5A20 VAL 31 HG13 -0.12 0.00 -0.12 -0.04 0.97 0.68 2rm5A20 VAL 31 HG23 -0.48 0.01 0.06 -0.04 0.95 0.50 2rm5A20 GLN 32 H -0.25 0.26 -0.65 -0.55 8.47 7.28 2rm5A20 GLN 32 HA -0.23 0.15 0.66 -0.75 4.36 4.19 2rm5A20 GLN 32 HB2 -0.24 0.02 0.11 -0.04 2.15 2.00 2rm5A20 GLN 32 HB3 -0.23 -0.07 0.05 -0.04 2.02 1.73 2rm5A20 GLN 32 HG2 -0.50 0.38 0.02 -0.04 2.40 2.27 2rm5A20 GLN 32 HG3 -1.00 0.04 -0.28 -0.04 2.39 1.11 2rm5A20 GLN 32 HE21 -0.12 -0.06 -0.04 -0.04 6.97 6.72 2rm5A20 GLN 32 HE22 -0.34 0.01 -0.09 -0.04 7.69 7.23 2rm5A20 HIS 33 H -0.13 0.28 -0.35 -0.55 8.41 7.66 2rm5A20 HIS 33 HA 0.07 0.17 0.60 -0.75 4.63 4.71 2rm5A20 HIS 33 HB2 0.36 0.09 0.02 -0.04 3.26 3.69 2rm5A20 HIS 33 HB3 0.19 -0.00 0.04 -0.04 3.20 3.38 2rm5A20 HIS 33 HD2 0.27 -0.03 0.02 -0.04 6.97 7.19 2rm5A20 HIS 33 HE1 0.18 -0.02 -0.09 -0.04 7.75 7.77 2rm5A20 LYS 34 H -0.22 0.12 -0.71 -0.55 8.42 7.06 2rm5A20 LYS 34 HA 0.12 0.25 0.80 -0.75 4.32 4.74 2rm5A20 LYS 34 HB2 -1.33 -0.12 0.00 -0.04 1.87 0.38 2rm5A20 LYS 34 HB3 -0.38 0.09 0.08 -0.04 1.79 1.54 2rm5A20 LYS 34 HG2 -0.03 0.03 0.06 -0.04 1.46 1.48 2rm5A20 LYS 34 HG3 0.04 -0.03 0.10 -0.04 1.46 1.54 2rm5A20 LYS 34 HD2 -0.18 0.02 -0.02 -0.04 1.69 1.47 2rm5A20 LYS 34 HD3 -0.04 -0.06 0.00 -0.04 1.68 1.54 2rm5A20 LYS 34 HE2 -0.56 -0.01 0.02 -0.04 2.99 2.40 2rm5A20 LYS 34 HE3 -0.11 -0.04 -0.00 -0.04 2.99 2.80 2rm5A20 GLY 35 H 0.08 0.87 0.35 -0.55 8.43 9.18 2rm5A20 GLY 35 HA2 0.04 -0.12 0.39 -0.51 4.01 3.81 2rm5A20 GLY 35 HA3 0.01 0.15 0.81 -0.51 4.01 4.47 2rm5A20 SER 36 H 0.10 0.20 -0.39 -0.55 8.46 7.83 2rm5A20 SER 36 HA 0.10 0.22 0.71 -0.75 4.49 4.76 2rm5A20 SER 36 HB2 0.12 -0.11 -0.20 -0.04 3.95 3.72 2rm5A20 SER 36 HB3 0.13 0.50 0.03 -0.04 3.93 4.55 2rm5A20 PRO 37 HA 0.17 0.05 0.17 -0.51 4.44 4.32 2rm5A20 PRO 37 HB2 0.23 -0.02 -0.09 -0.04 2.28 2.36 2rm5A20 PRO 37 HB3 0.13 -0.14 -0.09 -0.04 2.02 1.87 2rm5A20 PRO 37 HG2 0.27 -0.03 -0.00 -0.04 2.03 2.22 2rm5A20 PRO 37 HG3 0.09 -0.03 -0.30 -0.04 2.03 1.75 2rm5A20 PRO 37 HD2 0.16 0.64 0.40 -0.04 3.68 4.83 2rm5A20 PRO 37 HD3 0.11 0.18 0.22 -0.04 3.65 4.12 2rm5A20 LEU 38 H 0.19 0.80 0.35 -0.55 8.37 9.15 2rm5A20 LEU 38 HA -0.35 0.04 0.91 -0.75 4.35 4.19 2rm5A20 LEU 38 HB2 -0.10 0.04 0.08 -0.04 1.64 1.62 2rm5A20 LEU 38 HB3 0.02 0.10 -0.20 -0.04 1.64 1.51 2rm5A20 LEU 38 HG 0.06 -0.12 -0.12 -0.04 1.64 1.41 2rm5A20 LEU 38 HD13 0.12 -0.03 -0.13 -0.04 0.93 0.85 2rm5A20 LEU 38 HD23 0.20 0.08 -0.07 -0.04 0.89 1.05 2rm5A20 LEU 39 H -0.28 0.60 0.45 -0.55 8.37 8.61 2rm5A20 LEU 39 HA 0.14 0.40 1.14 -0.75 4.35 5.27 2rm5A20 LEU 39 HB2 0.44 -0.01 0.07 -0.04 1.64 2.10 2rm5A20 LEU 39 HB3 0.20 -0.07 -0.07 -0.04 1.64 1.66 2rm5A20 LEU 39 HG 0.09 0.05 -0.19 -0.04 1.64 1.55 2rm5A20 LEU 39 HD13 0.30 0.03 -0.22 -0.04 0.93 1.01 2rm5A20 LEU 39 HD23 -0.03 -0.02 -0.16 -0.04 0.89 0.64 2rm5A20 ILE 40 H 0.04 0.25 0.27 -0.55 8.25 8.26 2rm5A20 ILE 40 HA 0.24 0.40 1.08 -0.75 4.18 5.15 2rm5A20 ILE 40 HB -0.07 -0.03 0.12 -0.04 1.89 1.87 2rm5A20 ILE 40 HG12 0.11 0.01 -0.06 -0.04 1.49 1.50 2rm5A20 ILE 40 HG13 0.03 -0.04 -0.73 -0.04 1.21 0.44 2rm5A20 ILE 40 HG23 -0.15 -0.00 -0.14 -0.04 0.93 0.60 2rm5A20 ILE 40 HD13 -0.15 -0.00 -0.14 -0.04 0.88 0.55 2rm5A20 TYR 41 H 0.49 0.66 0.36 -0.55 8.29 9.25 2rm5A20 TYR 41 HA 0.19 0.37 0.69 -0.75 4.56 5.07 2rm5A20 TYR 41 HB2 0.32 -0.10 0.03 -0.04 3.06 3.27 2rm5A20 TYR 41 HB3 0.30 -0.06 -0.16 -0.04 2.98 3.02 2rm5A20 TYR 41 HD2 0.18 -0.07 -0.34 -0.04 7.15 6.88 2rm5A20 TYR 41 HE2 -0.04 -0.01 -0.14 -0.04 6.85 6.62 2rm5A20 ASN 42 H 0.18 0.65 0.30 -0.55 8.53 9.11 2rm5A20 ASN 42 HA 0.03 0.11 0.74 -0.75 4.76 4.88 2rm5A20 ASN 42 HB2 0.10 0.07 0.22 -0.04 2.88 3.23 2rm5A20 ASN 42 HB3 -0.09 -0.09 0.12 -0.04 2.79 2.68 2rm5A20 ASN 42 HD21 0.34 -0.09 0.10 -0.04 7.03 7.34 2rm5A20 ASN 42 HD22 0.67 0.02 0.02 -0.04 7.74 8.41 2rm5A20 VAL 43 H 0.02 0.69 0.04 -0.55 8.24 8.44 2rm5A20 VAL 43 HA -0.35 0.03 0.52 -0.75 4.13 3.57 2rm5A20 VAL 43 HB -0.71 -0.02 -0.28 -0.04 2.12 1.07 2rm5A20 VAL 43 HG13 0.13 0.03 -0.30 -0.04 0.97 0.78 2rm5A20 VAL 43 HG23 -1.51 -0.05 -0.41 -0.04 0.95 -1.06 2rm5A20 ALA 44 H -0.23 0.12 0.08 -0.55 8.40 7.83 2rm5A20 ALA 44 HA -0.10 0.01 0.64 -0.75 4.34 4.14 2rm5A20 ALA 44 HB3 -0.09 0.08 0.02 -0.04 1.41 1.38 2rm5A20 SER 45 H -0.08 0.09 0.17 -0.55 8.46 8.10 2rm5A20 SER 45 HA -0.02 0.07 -0.11 -0.75 4.49 3.67 2rm5A20 SER 45 HB2 0.01 0.04 0.03 -0.04 3.95 3.98 2rm5A20 SER 45 HB3 -0.02 -0.02 -0.05 -0.04 3.93 3.80 2rm5A20 LYS 46 H -0.16 0.22 0.27 -0.55 8.42 8.20 2rm5A20 LYS 46 HA -0.04 0.01 0.33 -0.75 4.32 3.87 2rm5A20 LYS 46 HB2 0.03 -0.03 -0.23 -0.04 1.87 1.61 2rm5A20 LYS 46 HB3 0.02 0.07 0.39 -0.04 1.79 2.23 2rm5A20 LYS 46 HG2 0.10 -0.00 0.15 -0.04 1.46 1.66 2rm5A20 LYS 46 HG3 0.04 0.04 0.11 -0.04 1.46 1.61 2rm5A20 LYS 46 HD2 0.03 -0.00 0.13 -0.04 1.69 1.81 2rm5A20 LYS 46 HD3 0.02 -0.05 0.08 -0.04 1.68 1.70 2rm5A20 LYS 46 HE2 0.05 0.01 0.07 -0.04 2.99 3.08 2rm5A20 LYS 46 HE3 0.06 -0.04 0.05 -0.04 2.99 3.01 2rm5A20 CYS 47 H -0.14 0.45 -0.20 -0.55 8.50 8.07 2rm5A20 CYS 47 HA -0.21 0.18 0.76 -0.75 4.58 4.55 2rm5A20 CYS 47 HB2 -0.08 -0.11 -0.33 -0.04 2.97 2.41 2rm5A20 CYS 47 HB3 -0.07 0.04 -0.20 -0.04 2.97 2.71 2rm5A20 GLY 48 H -0.58 0.18 0.08 -0.55 8.43 7.57 2rm5A20 GLY 48 HA2 -0.23 0.11 0.31 -0.51 4.01 3.69 2rm5A20 GLY 48 HA3 -0.07 0.05 0.30 -0.51 4.01 3.78 2rm5A20 TYR 49 H 0.19 0.16 0.19 -0.55 8.29 8.28 2rm5A20 TYR 49 HA -0.02 0.15 0.85 -0.75 4.56 4.79 2rm5A20 TYR 49 HB2 0.01 0.03 0.17 -0.04 3.06 3.24 2rm5A20 TYR 49 HB3 0.02 -0.08 0.01 -0.04 2.98 2.90 2rm5A20 TYR 49 HD2 -0.02 -0.07 -0.00 -0.04 7.15 7.01 2rm5A20 TYR 49 HE2 -0.00 0.03 0.00 -0.04 6.85 6.84 2rm5A20 THR 50 H 0.05 0.23 0.19 -0.55 8.28 8.20 2rm5A20 THR 50 HA 0.30 0.15 0.47 -0.75 4.39 4.55 2rm5A20 THR 50 HB 0.04 -0.28 0.10 -0.04 4.32 4.14 2rm5A20 THR 50 HG23 0.22 0.07 0.02 -0.04 1.22 1.49 2rm5A20 LYS 51 H 0.13 0.12 -0.04 -0.55 8.42 8.08 2rm5A20 LYS 51 HA 0.09 0.08 0.25 -0.75 4.32 3.98 2rm5A20 LYS 51 HB2 0.11 0.11 -0.42 -0.04 1.87 1.63 2rm5A20 LYS 51 HB3 0.07 0.01 -0.16 -0.04 1.79 1.67 2rm5A20 LYS 51 HG2 0.10 0.05 -0.05 -0.04 1.46 1.51 2rm5A20 LYS 51 HG3 0.17 0.02 -0.35 -0.04 1.46 1.26 2rm5A20 LYS 51 HD2 0.12 0.05 -0.02 -0.04 1.69 1.80 2rm5A20 LYS 51 HD3 0.15 -0.07 -0.08 -0.04 1.68 1.64 2rm5A20 LYS 51 HE2 0.18 0.02 -0.04 -0.04 2.99 3.11 2rm5A20 LYS 51 HE3 0.07 -0.08 -0.15 -0.04 2.99 2.80 2rm5A20 GLY 52 H -0.00 -0.14 -0.74 -0.55 8.43 7.01 2rm5A20 GLY 52 HA2 -0.06 -0.09 0.28 -0.51 4.01 3.63 2rm5A20 GLY 52 HA3 -0.03 0.32 0.85 -0.51 4.01 4.64 2rm5A20 GLY 53 H -0.12 0.51 0.05 -0.55 8.43 8.33 2rm5A20 GLY 53 HA2 -0.08 0.16 0.34 -0.51 4.01 3.92 2rm5A20 GLY 53 HA3 -0.28 0.01 0.37 -0.51 4.01 3.60 2rm5A20 TYR 54 H -0.61 0.01 -0.13 -0.55 8.29 7.02 2rm5A20 TYR 54 HA -0.97 0.18 0.37 -0.75 4.56 3.38 2rm5A20 TYR 54 HB2 -0.55 0.01 0.07 -0.04 3.06 2.55 2rm5A20 TYR 54 HB3 -0.25 -0.06 0.08 -0.04 2.98 2.71 2rm5A20 TYR 54 HD2 0.12 -0.05 0.03 -0.04 7.15 7.21 2rm5A20 TYR 54 HE2 0.26 0.00 -0.02 -0.04 6.85 7.04 2rm5A20 GLU 55 H -0.17 0.03 -0.12 -0.55 8.60 7.79 2rm5A20 GLU 55 HA -0.22 0.12 0.34 -0.75 4.29 3.77 2rm5A20 GLU 55 HB2 -0.10 0.07 0.03 -0.04 2.09 2.05 2rm5A20 GLU 55 HB3 -0.13 0.01 0.08 -0.04 1.99 1.91 2rm5A20 GLU 55 HG2 -0.11 -0.11 0.03 -0.04 2.34 2.11 2rm5A20 GLU 55 HG3 -0.08 0.07 -0.07 -0.04 2.34 2.21 2rm5A20 THR 56 H -0.15 0.32 -0.33 -0.55 8.28 7.57 2rm5A20 THR 56 HA -0.06 -0.00 0.43 -0.75 4.39 4.00 2rm5A20 THR 56 HB -0.07 0.09 0.05 -0.04 4.32 4.36 2rm5A20 THR 56 HG23 -0.03 -0.01 -0.27 -0.04 1.22 0.87 2rm5A20 ALA 57 H -0.30 0.41 -0.30 -0.55 8.40 7.66 2rm5A20 ALA 57 HA -0.27 0.02 0.32 -0.75 4.34 3.65 2rm5A20 ALA 57 HB3 -1.20 0.02 0.05 -0.04 1.41 0.24 2rm5A20 THR 58 H -0.04 0.70 -0.15 -0.55 8.28 8.24 2rm5A20 THR 58 HA 0.37 0.01 0.32 -0.75 4.39 4.34 2rm5A20 THR 58 HB -0.05 0.06 0.13 -0.04 4.32 4.42 2rm5A20 THR 58 HG23 0.06 -0.01 -0.07 -0.04 1.22 1.15 2rm5A20 THR 59 H -0.01 0.53 -0.19 -0.55 8.28 8.07 2rm5A20 THR 59 HA 0.04 0.04 0.34 -0.75 4.39 4.06 2rm5A20 THR 59 HB 0.01 -0.04 -0.01 -0.04 4.32 4.23 2rm5A20 THR 59 HG23 -0.02 -0.00 0.04 -0.04 1.22 1.20 2rm5A20 LEU 60 H 0.06 0.61 -0.16 -0.55 8.37 8.34 2rm5A20 LEU 60 HA 0.18 -0.02 0.33 -0.75 4.35 4.09 2rm5A20 LEU 60 HB2 0.25 0.09 0.09 -0.04 1.64 2.03 2rm5A20 LEU 60 HB3 0.29 -0.00 -0.12 -0.04 1.64 1.76 2rm5A20 LEU 60 HG 0.02 0.12 0.06 -0.04 1.64 1.81 2rm5A20 LEU 60 HD13 0.05 -0.02 -0.17 -0.04 0.93 0.74 2rm5A20 LEU 60 HD23 -0.11 -0.01 -0.06 -0.04 0.89 0.67 2rm5A20 TYR 61 H 0.29 0.56 -0.17 -0.55 8.29 8.41 2rm5A20 TYR 61 HA 0.27 0.04 0.22 -0.75 4.56 4.33 2rm5A20 TYR 61 HB2 -0.01 -0.05 0.13 -0.04 3.06 3.09 2rm5A20 TYR 61 HB3 0.16 0.11 0.13 -0.04 2.98 3.33 2rm5A20 TYR 61 HD2 0.03 -0.35 0.08 -0.04 7.15 6.87 2rm5A20 TYR 61 HE2 0.07 -0.01 0.11 -0.04 6.85 6.98 2rm5A20 ASN 62 H 0.25 0.41 -0.29 -0.55 8.53 8.36 2rm5A20 ASN 62 HA 0.09 0.06 0.25 -0.75 4.76 4.40 2rm5A20 ASN 62 HB2 0.11 0.07 0.15 -0.04 2.88 3.17 2rm5A20 ASN 62 HB3 0.07 -0.05 0.01 -0.04 2.79 2.78 2rm5A20 ASN 62 HD21 0.25 0.61 0.15 -0.04 7.03 8.00 2rm5A20 ASN 62 HD22 0.23 -0.09 0.05 -0.04 7.74 7.89 2rm5A20 LYS 63 H 0.07 0.57 -0.13 -0.55 8.42 8.38 2rm5A20 LYS 63 HA -0.11 0.05 0.50 -0.75 4.32 4.01 2rm5A20 LYS 63 HB2 -0.08 -0.03 0.10 -0.04 1.87 1.82 2rm5A20 LYS 63 HB3 -0.08 0.02 0.13 -0.04 1.79 1.82 2rm5A20 LYS 63 HG2 -0.87 0.01 -0.20 -0.04 1.46 0.37 2rm5A20 LYS 63 HG3 -0.27 -0.02 0.03 -0.04 1.46 1.15 2rm5A20 LYS 63 HD2 -0.12 -0.04 -0.04 -0.04 1.69 1.44 2rm5A20 LYS 63 HD3 -0.15 -0.02 -0.08 -0.04 1.68 1.39 2rm5A20 LYS 63 HE2 -0.48 0.03 -0.06 -0.04 2.99 2.43 2rm5A20 LYS 63 HE3 -0.19 0.00 -0.03 -0.04 2.99 2.73 2rm5A20 TYR 64 H 0.16 0.67 -0.03 -0.55 8.29 8.54 2rm5A20 TYR 64 HA -0.02 0.11 0.56 -0.75 4.56 4.46 2rm5A20 TYR 64 HB2 -0.18 0.15 0.01 -0.04 3.06 3.00 2rm5A20 TYR 64 HB3 -0.08 0.02 0.00 -0.04 2.98 2.88 2rm5A20 TYR 64 HD2 -0.13 0.04 -0.03 -0.04 7.15 6.99 2rm5A20 TYR 64 HE2 -0.10 -0.03 -0.06 -0.04 6.85 6.62 2rm5A20 LYS 65 H 0.03 0.32 -0.34 -0.55 8.42 7.88 2rm5A20 LYS 65 HA -0.01 -0.02 0.67 -0.75 4.32 4.20 2rm5A20 LYS 65 HB2 -0.15 0.13 0.16 -0.04 1.87 1.97 2rm5A20 LYS 65 HB3 -0.11 -0.07 -0.01 -0.04 1.79 1.57 2rm5A20 LYS 65 HG2 -0.79 0.20 0.25 -0.04 1.46 1.08 2rm5A20 LYS 65 HG3 -0.77 -0.11 0.07 -0.04 1.46 0.60 2rm5A20 LYS 65 HD2 -0.13 -0.08 0.21 -0.04 1.69 1.64 2rm5A20 LYS 65 HD3 -0.33 -0.06 0.11 -0.04 1.68 1.36 2rm5A20 LYS 65 HE2 -0.05 -0.04 0.03 -0.04 2.99 2.89 2rm5A20 LYS 65 HE3 -0.06 -0.01 0.01 -0.04 2.99 2.90 2rm5A20 SER 66 H -0.01 0.22 -0.36 -0.55 8.46 7.77 2rm5A20 SER 66 HA 0.00 0.07 0.38 -0.75 4.49 4.18 2rm5A20 SER 66 HB2 -0.01 -0.01 0.02 -0.04 3.95 3.90 2rm5A20 SER 66 HB3 -0.03 -0.00 0.10 -0.04 3.93 3.96 2rm5A20 GLN 67 H 0.08 0.16 -0.35 -0.55 8.47 7.82 2rm5A20 GLN 67 HA 0.06 0.13 0.70 -0.75 4.36 4.49 2rm5A20 GLN 67 HB2 0.18 0.02 -0.02 -0.04 2.15 2.29 2rm5A20 GLN 67 HB3 0.09 0.05 0.05 -0.04 2.02 2.18 2rm5A20 GLN 67 HG2 0.05 0.03 -0.05 -0.04 2.40 2.39 2rm5A20 GLN 67 HG3 0.06 -0.08 -0.09 -0.04 2.39 2.23 2rm5A20 GLN 67 HE21 0.19 0.00 -0.03 -0.04 6.97 7.09 2rm5A20 GLN 67 HE22 0.29 -0.05 -0.03 -0.04 7.69 7.85 2rm5A20 GLY 68 H 0.08 0.13 -0.64 -0.55 8.43 7.46 2rm5A20 GLY 68 HA2 0.07 0.01 0.33 -0.51 4.01 3.91 2rm5A20 GLY 68 HA3 0.09 0.14 0.71 -0.51 4.01 4.44 2rm5A20 PHE 69 H 0.13 0.11 0.18 -0.55 8.34 8.21 2rm5A20 PHE 69 HA 0.06 0.53 0.76 -0.75 4.62 5.22 2rm5A20 PHE 69 HB2 0.06 0.06 -0.26 -0.04 3.15 2.97 2rm5A20 PHE 69 HB3 0.07 -0.14 -0.44 -0.04 3.06 2.50 2rm5A20 PHE 69 HD2 0.05 0.15 -0.42 -0.04 7.28 7.02 2rm5A20 PHE 69 HE2 0.05 -0.10 -0.43 -0.04 7.38 6.86 2rm5A20 PHE 69 HZ 0.04 -0.10 -0.17 -0.04 7.32 7.06 2rm5A20 THR 70 H -0.55 0.48 0.28 -0.55 8.28 7.94 2rm5A20 THR 70 HA -0.01 0.16 0.94 -0.75 4.39 4.72 2rm5A20 THR 70 HB 0.03 0.10 -0.12 -0.04 4.32 4.29 2rm5A20 THR 70 HG23 -0.42 -0.02 -0.21 -0.04 1.22 0.53 2rm5A20 VAL 71 H 0.42 0.19 0.15 -0.55 8.24 8.45 2rm5A20 VAL 71 HA -0.08 0.34 0.98 -0.75 4.13 4.62 2rm5A20 VAL 71 HB -0.31 -0.02 0.14 -0.04 2.12 1.89 2rm5A20 VAL 71 HG13 -0.46 -0.04 -0.31 -0.04 0.97 0.12 2rm5A20 VAL 71 HG23 0.10 0.01 -0.09 -0.04 0.95 0.92 2rm5A20 LEU 72 H 0.09 0.85 0.31 -0.55 8.37 9.07 2rm5A20 LEU 72 HA 0.10 0.37 0.96 -0.75 4.35 5.03 2rm5A20 LEU 72 HB2 0.35 -0.07 0.12 -0.04 1.64 2.01 2rm5A20 LEU 72 HB3 0.26 -0.04 -0.07 -0.04 1.64 1.75 2rm5A20 LEU 72 HG -0.03 0.09 -0.11 -0.04 1.64 1.55 2rm5A20 LEU 72 HD13 0.25 -0.00 -0.10 -0.04 0.93 1.03 2rm5A20 LEU 72 HD23 -0.29 0.01 -0.20 -0.04 0.89 0.37 2rm5A20 ALA 73 H 0.21 0.87 0.37 -0.55 8.40 9.30 2rm5A20 ALA 73 HA 0.47 0.13 1.13 -0.75 4.34 5.31 2rm5A20 ALA 73 HB3 0.64 -0.02 -0.00 -0.04 1.41 1.98 2rm5A20 PHE 74 H 0.52 0.66 0.24 -0.55 8.34 9.21 2rm5A20 PHE 74 HA -0.02 0.05 0.90 -0.75 4.62 4.80 2rm5A20 PHE 74 HB2 0.16 -0.00 0.17 -0.04 3.15 3.43 2rm5A20 PHE 74 HB3 0.03 0.10 0.11 -0.04 3.06 3.26 2rm5A20 PHE 74 HD2 0.05 -0.00 -0.18 -0.04 7.28 7.11 2rm5A20 PHE 74 HE2 -0.06 -0.02 -0.09 -0.04 7.38 7.16 2rm5A20 PHE 74 HZ 0.00 0.00 -0.11 -0.04 7.32 7.17 2rm5A20 PRO 75 HA 0.00 0.19 0.46 -0.51 4.44 4.59 2rm5A20 PRO 75 HB2 -0.03 -0.02 -0.17 -0.04 2.28 2.01 2rm5A20 PRO 75 HB3 -0.02 -0.13 0.02 -0.04 2.02 1.85 2rm5A20 PRO 75 HG2 -0.10 0.20 0.05 -0.04 2.03 2.14 2rm5A20 PRO 75 HG3 -0.04 0.00 0.02 -0.04 2.03 1.97 2rm5A20 PRO 75 HD2 -0.14 0.22 -0.40 -0.04 3.68 3.32 2rm5A20 PRO 75 HD3 -0.10 0.26 0.27 -0.04 3.65 4.04 2rm5A20 SER 76 H -0.05 -0.05 0.34 -0.55 8.46 8.16 2rm5A20 SER 76 HA -0.03 0.39 1.02 -0.75 4.49 5.12 2rm5A20 SER 76 HB2 -0.06 -0.18 -0.01 -0.04 3.95 3.66 2rm5A20 SER 76 HB3 -0.04 -0.06 -0.16 -0.04 3.93 3.63 2rm5A20 ASN 77 H -0.02 0.35 -0.15 -0.55 8.53 8.16 2rm5A20 ASN 77 HA -0.14 0.18 0.74 -0.75 4.76 4.78 2rm5A20 ASN 77 HB2 0.04 0.16 -0.40 -0.04 2.88 2.64 2rm5A20 ASN 77 HB3 0.04 -0.04 -0.18 -0.04 2.79 2.58 2rm5A20 ASN 77 HD21 0.16 0.03 -0.09 -0.04 7.03 7.09 2rm5A20 ASN 77 HD22 0.35 0.03 -0.06 -0.04 7.74 8.03 2rm5A20 GLN 78 H -0.28 0.31 0.10 -0.55 8.47 8.05 2rm5A20 GLN 78 HA -0.06 -0.05 0.11 -0.75 4.36 3.61 2rm5A20 GLN 78 HB2 -0.06 -0.00 0.08 -0.04 2.15 2.14 2rm5A20 GLN 78 HB3 -0.09 0.01 0.04 -0.04 2.02 1.93 2rm5A20 GLN 78 HG2 -0.53 0.01 -0.10 -0.04 2.40 1.73 2rm5A20 GLN 78 HG3 -0.16 0.21 0.06 -0.04 2.39 2.45 2rm5A20 GLN 78 HE21 -0.39 0.14 0.14 -0.04 6.97 6.81 2rm5A20 GLN 78 HE22 -1.05 0.04 0.04 -0.04 7.69 6.68 2rm5A20 PHE 79 H -0.15 0.09 -0.90 -0.55 8.34 6.83 2rm5A20 PHE 79 HA 0.02 0.09 0.19 -0.75 4.62 4.16 2rm5A20 PHE 79 HB2 0.02 0.03 -0.03 -0.04 3.15 3.13 2rm5A20 PHE 79 HB3 0.02 0.06 0.16 -0.04 3.06 3.25 2rm5A20 PHE 79 HD2 0.02 0.03 -0.05 -0.04 7.28 7.23 2rm5A20 PHE 79 HE2 0.01 0.03 -0.02 -0.04 7.38 7.36 2rm5A20 PHE 79 HZ 0.01 0.02 -0.01 -0.04 7.32 7.30 2rm5A20 GLY 80 H 0.08 0.33 -0.65 -0.55 8.43 7.65 2rm5A20 GLY 80 HA2 0.05 -0.09 0.35 -0.51 4.01 3.81 2rm5A20 GLY 80 HA3 0.07 0.24 0.74 -0.51 4.01 4.56 2rm5A20 GLY 81 H 0.03 -0.04 0.08 -0.55 8.43 7.96 2rm5A20 GLY 81 HA2 0.03 0.13 0.29 -0.51 4.01 3.95 2rm5A20 GLY 81 HA3 0.03 0.09 0.22 -0.51 4.01 3.84 2rm5A20 GLN 82 H 0.02 0.05 0.04 -0.55 8.47 8.03 2rm5A20 GLN 82 HA 0.00 0.06 0.05 -0.75 4.36 3.71 2rm5A20 GLN 82 HB2 -0.03 0.06 0.11 -0.04 2.15 2.25 2rm5A20 GLN 82 HB3 -0.01 0.03 -0.02 -0.04 2.02 1.98 2rm5A20 GLN 82 HG2 -0.01 0.46 -0.33 -0.04 2.40 2.48 2rm5A20 GLN 82 HG3 -0.03 0.03 0.02 -0.04 2.39 2.36 2rm5A20 GLN 82 HE21 -0.01 0.02 -0.05 -0.04 6.97 6.89 2rm5A20 GLN 82 HE22 -0.02 0.08 -0.02 -0.04 7.69 7.69 2rm5A20 GLU 83 H -0.00 -0.10 -0.44 -0.55 8.60 7.51 2rm5A20 GLU 83 HA -0.01 0.32 -0.18 -0.75 4.29 3.66 2rm5A20 GLU 83 HB2 -0.02 0.05 -0.27 -0.04 2.09 1.81 2rm5A20 GLU 83 HB3 -0.02 0.02 -0.21 -0.04 1.99 1.74 2rm5A20 GLU 83 HG2 -0.04 -0.10 -0.95 -0.04 2.34 1.21 2rm5A20 GLU 83 HG3 -0.01 0.06 -0.35 -0.04 2.34 2.00 2rm5A20 PRO 84 HA 0.11 -0.07 0.06 -0.51 4.44 4.03 2rm5A20 PRO 84 HB2 0.02 -0.14 -0.13 -0.04 2.28 1.98 2rm5A20 PRO 84 HB3 0.13 0.12 -0.76 -0.04 2.02 1.47 2rm5A20 PRO 84 HG2 0.01 -0.07 -0.22 -0.04 2.03 1.71 2rm5A20 PRO 84 HG3 0.15 0.29 0.10 -0.04 2.03 2.53 2rm5A20 PRO 84 HD2 -0.01 -0.09 0.05 -0.04 3.68 3.59 2rm5A20 PRO 84 HD3 0.03 0.67 0.21 -0.04 3.65 4.52 2rm5A20 GLY 85 H 0.06 0.35 -0.44 -0.55 8.43 7.85 2rm5A20 GLY 85 HA2 0.03 0.02 0.43 -0.51 4.01 3.99 2rm5A20 GLY 85 HA3 0.03 0.06 0.82 -0.51 4.01 4.42 2rm5A20 ASN 86 H -0.02 -0.08 -0.29 -0.55 8.53 7.59 2rm5A20 ASN 86 HA -0.04 0.39 0.21 -0.75 4.76 4.57 2rm5A20 ASN 86 HB2 -0.08 -0.04 -0.04 -0.04 2.88 2.68 2rm5A20 ASN 86 HB3 -0.04 0.14 0.27 -0.04 2.79 3.12 2rm5A20 ASN 86 HD21 -0.10 0.03 0.12 -0.04 7.03 7.04 2rm5A20 ASN 86 HD22 -0.07 -0.06 0.07 -0.04 7.74 7.64 2rm5A20 GLU 87 H -0.00 0.83 -0.48 -0.55 8.60 8.41 2rm5A20 GLU 87 HA 0.01 -0.03 0.09 -0.75 4.29 3.61 2rm5A20 GLU 87 HB2 0.02 -0.07 0.14 -0.04 2.09 2.14 2rm5A20 GLU 87 HB3 0.01 -0.23 -0.05 -0.04 1.99 1.69 2rm5A20 GLU 87 HG2 0.00 0.15 -0.24 -0.04 2.34 2.21 2rm5A20 GLU 87 HG3 0.01 0.09 -0.06 -0.04 2.34 2.35 2rm5A20 GLU 88 H 0.04 0.12 0.02 -0.55 8.60 8.23 2rm5A20 GLU 88 HA 0.05 0.00 0.31 -0.75 4.29 3.90 2rm5A20 GLU 88 HB2 0.02 -0.02 -0.13 -0.04 2.09 1.92 2rm5A20 GLU 88 HB3 0.03 0.38 0.05 -0.04 1.99 2.40 2rm5A20 GLU 88 HG2 0.05 -0.00 0.03 -0.04 2.34 2.37 2rm5A20 GLU 88 HG3 0.04 -0.06 0.09 -0.04 2.34 2.37 2rm5A20 GLU 89 H 0.05 0.31 -1.24 -0.55 8.60 7.18 2rm5A20 GLU 89 HA 0.11 0.21 0.82 -0.75 4.29 4.68 2rm5A20 GLU 89 HB2 0.05 0.15 0.07 -0.04 2.09 2.32 2rm5A20 GLU 89 HB3 0.03 0.06 -0.03 -0.04 1.99 2.01 2rm5A20 GLU 89 HG2 -0.03 -0.07 -0.07 -0.04 2.34 2.13 2rm5A20 GLU 89 HG3 0.06 0.04 0.14 -0.04 2.34 2.53 2rm5A20 ILE 90 H 0.07 -0.02 -0.32 -0.55 8.25 7.44 2rm5A20 ILE 90 HA 0.23 0.21 0.66 -0.75 4.18 4.52 2rm5A20 ILE 90 HB 0.02 -0.07 0.00 -0.04 1.89 1.80 2rm5A20 ILE 90 HG12 -0.01 0.04 -0.38 -0.04 1.49 1.10 2rm5A20 ILE 90 HG13 0.01 -0.02 -0.27 -0.04 1.21 0.90 2rm5A20 ILE 90 HG23 0.02 0.04 -0.14 -0.04 0.93 0.81 2rm5A20 ILE 90 HD13 -0.04 -0.01 -0.22 -0.04 0.88 0.58 2rm5A20 LYS 91 H 0.20 0.24 -0.68 -0.55 8.42 7.62 2rm5A20 LYS 91 HA 0.04 0.19 0.96 -0.75 4.32 4.76 2rm5A20 LYS 91 HB2 0.01 0.03 0.01 -0.04 1.87 1.89 2rm5A20 LYS 91 HB3 0.04 -0.04 0.06 -0.04 1.79 1.81 2rm5A20 LYS 91 HG2 0.05 -0.00 0.07 -0.04 1.46 1.54 2rm5A20 LYS 91 HG3 0.12 0.11 -0.07 -0.04 1.46 1.58 2rm5A20 LYS 91 HD2 0.10 0.07 0.04 -0.04 1.69 1.85 2rm5A20 LYS 91 HD3 0.02 -0.06 0.01 -0.04 1.68 1.60 2rm5A20 LYS 91 HE2 -0.03 -0.02 -0.15 -0.04 2.99 2.75 2rm5A20 LYS 91 HE3 0.01 0.00 -0.01 -0.04 2.99 2.95 2rm5A20 GLU 92 H -0.03 0.17 0.06 -0.55 8.60 8.25 2rm5A20 GLU 92 HA -0.10 0.01 0.30 -0.75 4.29 3.75 2rm5A20 GLU 92 HB2 -0.20 -0.02 0.09 -0.04 2.09 1.92 2rm5A20 GLU 92 HB3 -0.18 -0.06 -0.21 -0.04 1.99 1.50 2rm5A20 GLU 92 HG2 -0.89 0.41 0.22 -0.04 2.34 2.03 2rm5A20 GLU 92 HG3 -0.75 -0.05 -0.20 -0.04 2.34 1.30 2rm5A20 PHE 93 H -0.07 0.15 -1.57 -0.55 8.34 6.30 2rm5A20 PHE 93 HA -0.01 0.17 0.77 -0.75 4.62 4.80 2rm5A20 PHE 93 HB2 -0.01 -0.12 -0.06 -0.04 3.15 2.92 2rm5A20 PHE 93 HB3 -0.02 0.04 0.04 -0.04 3.06 3.08 2rm5A20 PHE 93 HD2 0.00 0.02 0.04 -0.04 7.28 7.29 2rm5A20 PHE 93 HE2 0.01 -0.01 0.04 -0.04 7.38 7.38 2rm5A20 PHE 93 HZ 0.01 -0.03 0.02 -0.04 7.32 7.28 2rm5A20 VAL 94 H 0.14 0.30 0.11 -0.55 8.24 8.23 2rm5A20 VAL 94 HA -0.00 0.14 0.89 -0.75 4.13 4.40 2rm5A20 VAL 94 HB 0.02 0.04 -0.21 -0.04 2.12 1.93 2rm5A20 VAL 94 HG13 0.03 0.00 -0.01 -0.04 0.97 0.95 2rm5A20 VAL 94 HG23 -0.00 0.00 -0.11 -0.04 0.95 0.80 2rm5A20 CYS 95 H -0.07 0.12 0.11 -0.55 8.50 8.12 2rm5A20 CYS 95 HA -0.01 0.56 0.96 -0.75 4.58 5.33 2rm5A20 CYS 95 HB2 -0.08 0.10 0.22 -0.04 2.97 3.17 2rm5A20 CYS 95 HB3 -0.05 -0.21 0.08 -0.04 2.97 2.75 2rm5A20 THR 96 H -0.01 0.43 0.17 -0.55 8.28 8.33 2rm5A20 THR 96 HA -0.02 0.07 0.54 -0.75 4.39 4.22 2rm5A20 THR 96 HB -0.00 0.12 -0.01 -0.04 4.32 4.38 2rm5A20 THR 96 HG23 -0.00 0.00 -0.04 -0.04 1.22 1.14 2rm5A20 LYS 97 H -0.05 0.23 0.06 -0.55 8.42 8.10 2rm5A20 LYS 97 HA -0.17 0.11 0.42 -0.75 4.32 3.93 2rm5A20 LYS 97 HB2 -0.10 0.24 -0.18 -0.04 1.87 1.78 2rm5A20 LYS 97 HB3 -0.21 -0.04 0.05 -0.04 1.79 1.54 2rm5A20 LYS 97 HG2 -0.14 -0.00 0.04 -0.04 1.46 1.32 2rm5A20 LYS 97 HG3 -0.08 -0.02 -0.06 -0.04 1.46 1.26 2rm5A20 LYS 97 HD2 -0.06 0.04 -0.14 -0.04 1.69 1.50 2rm5A20 LYS 97 HD3 -0.09 0.01 -0.05 -0.04 1.68 1.52 2rm5A20 LYS 97 HE2 -0.06 -0.09 -0.08 -0.04 2.99 2.72 2rm5A20 LYS 97 HE3 -0.03 0.05 -0.13 -0.04 2.99 2.84 2rm5A20 PHE 98 H -0.02 0.84 -0.20 -0.55 8.34 8.41 2rm5A20 PHE 98 HA -0.11 0.08 0.27 -0.75 4.62 4.11 2rm5A20 PHE 98 HB2 -0.20 -0.08 0.06 -0.04 3.15 2.90 2rm5A20 PHE 98 HB3 -0.20 -0.19 -0.30 -0.04 3.06 2.33 2rm5A20 PHE 98 HD2 -0.36 0.01 -0.28 -0.04 7.28 6.62 2rm5A20 PHE 98 HE2 -0.70 -0.02 -0.18 -0.04 7.38 6.44 2rm5A20 PHE 98 HZ 0.23 -0.01 -0.14 -0.04 7.32 7.36 2rm5A20 LYS 99 H -0.81 0.65 -0.98 -0.55 8.42 6.73 2rm5A20 LYS 99 HA -0.49 -0.03 0.34 -0.75 4.32 3.38 2rm5A20 LYS 99 HB2 -0.12 0.11 -0.47 -0.04 1.87 1.35 2rm5A20 LYS 99 HB3 -0.14 0.04 -0.06 -0.04 1.79 1.58 2rm5A20 LYS 99 HG2 -0.15 0.03 -0.03 -0.04 1.46 1.27 2rm5A20 LYS 99 HG3 -0.21 -0.09 -0.08 -0.04 1.46 1.04 2rm5A20 LYS 99 HD2 -0.06 0.03 -0.08 -0.04 1.69 1.53 2rm5A20 LYS 99 HD3 -0.08 -0.01 -0.05 -0.04 1.68 1.50 2rm5A20 LYS 99 HE2 -0.08 -0.00 -0.04 -0.04 2.99 2.82 2rm5A20 LYS 99 HE3 -0.07 -0.04 -0.22 -0.04 2.99 2.63 2rm5A20 ALA 100 H -0.61 0.18 0.18 -0.55 8.40 7.60 2rm5A20 ALA 100 HA 0.02 0.23 0.85 -0.75 4.34 4.69 2rm5A20 ALA 100 HB3 -0.76 -0.00 -0.06 -0.04 1.41 0.54 2rm5A20 GLU 101 H -0.07 0.12 0.10 -0.55 8.60 8.21 2rm5A20 GLU 101 HA -0.10 0.22 0.78 -0.75 4.29 4.44 2rm5A20 GLU 101 HB2 0.11 -0.03 0.13 -0.04 2.09 2.26 2rm5A20 GLU 101 HB3 0.09 0.05 0.22 -0.04 1.99 2.32 2rm5A20 GLU 101 HG2 -0.00 0.06 -0.03 -0.04 2.34 2.33 2rm5A20 GLU 101 HG3 0.01 -0.06 -0.03 -0.04 2.34 2.22 2rm5A20 PHE 102 H -0.67 0.09 -0.52 -0.55 8.34 6.68 2rm5A20 PHE 102 HA -1.09 0.20 0.65 -0.75 4.62 3.63 2rm5A20 PHE 102 HB2 -0.61 0.27 0.22 -0.04 3.15 2.99 2rm5A20 PHE 102 HB3 -0.65 0.02 -0.05 -0.04 3.06 2.34 2rm5A20 PHE 102 HD2 -0.04 0.21 -0.26 -0.04 7.28 7.15 2rm5A20 PHE 102 HE2 0.32 -0.03 -0.14 -0.04 7.38 7.49 2rm5A20 PHE 102 HZ 0.53 -0.05 -0.13 -0.04 7.32 7.63 2rm5A20 PRO 103 HA -0.14 0.00 0.49 -0.51 4.44 4.28 2rm5A20 PRO 103 HB2 -0.03 -0.03 0.10 -0.04 2.28 2.28 2rm5A20 PRO 103 HB3 0.09 0.01 0.05 -0.04 2.02 2.13 2rm5A20 PRO 103 HG2 0.11 0.05 0.02 -0.04 2.03 2.17 2rm5A20 PRO 103 HG3 0.10 0.04 0.06 -0.04 2.03 2.19 2rm5A20 PRO 103 HD2 -0.10 0.47 0.29 -0.04 3.68 4.29 2rm5A20 PRO 103 HD3 -0.73 0.11 0.26 -0.04 3.65 3.25 2rm5A20 ILE 104 H -0.28 0.16 0.34 -0.55 8.25 7.92 2rm5A20 ILE 104 HA -0.19 0.24 1.12 -0.75 4.18 4.60 2rm5A20 ILE 104 HB -0.43 -0.10 0.26 -0.04 1.89 1.59 2rm5A20 ILE 104 HG12 -1.11 0.06 0.08 -0.04 1.49 0.48 2rm5A20 ILE 104 HG13 -0.14 0.01 0.06 -0.04 1.21 1.09 2rm5A20 ILE 104 HG23 -0.27 0.10 0.11 -0.04 0.93 0.83 2rm5A20 ILE 104 HD13 -1.00 -0.02 -0.12 -0.04 0.88 -0.31 2rm5A20 MET 105 H -0.36 0.72 0.39 -0.55 8.47 8.67 2rm5A20 MET 105 HA -0.53 -0.05 0.65 -0.75 4.52 3.83 2rm5A20 MET 105 HB2 -1.32 0.07 0.13 -0.04 2.15 1.00 2rm5A20 MET 105 HB3 -0.91 0.23 0.22 -0.04 2.03 1.54 2rm5A20 MET 105 HG2 -0.97 0.06 -0.31 -0.04 2.63 1.36 2rm5A20 MET 105 HG3 -2.25 -0.00 -0.18 -0.04 2.56 0.09 2rm5A20 MET 105 HE3 -0.35 0.05 -0.30 -0.04 2.10 1.46 2rm5A20 ALA 106 H -0.45 0.44 0.16 -0.55 8.40 7.99 2rm5A20 ALA 106 HA -0.35 0.16 0.47 -0.75 4.34 3.86 2rm5A20 ALA 106 HB3 -0.60 -0.03 0.00 -0.04 1.41 0.74 2rm5A20 LYS 107 H -0.03 0.19 0.12 -0.55 8.42 8.14 2rm5A20 LYS 107 HA -0.00 0.43 0.43 -0.75 4.32 4.43 2rm5A20 LYS 107 HB2 0.09 -0.03 -0.02 -0.04 1.87 1.87 2rm5A20 LYS 107 HB3 -0.00 -0.04 -0.61 -0.04 1.79 1.09 2rm5A20 LYS 107 HG2 -0.01 -0.12 -0.06 -0.04 1.46 1.23 2rm5A20 LYS 107 HG3 0.07 0.05 0.14 -0.04 1.46 1.69 2rm5A20 LYS 107 HD2 0.07 -0.05 0.05 -0.04 1.69 1.71 2rm5A20 LYS 107 HD3 -0.03 0.18 0.06 -0.04 1.68 1.85 2rm5A20 LYS 107 HE2 0.00 -0.25 0.20 -0.04 2.99 2.90 2rm5A20 LYS 107 HE3 0.07 0.06 0.11 -0.04 2.99 3.19 2rm5A20 ILE 108 H 0.02 0.66 0.23 -0.55 8.25 8.62 2rm5A20 ILE 108 HA 0.11 0.24 0.89 -0.75 4.18 4.66 2rm5A20 ILE 108 HB 0.12 -0.12 -0.02 -0.04 1.89 1.83 2rm5A20 ILE 108 HG12 0.10 0.16 -0.20 -0.04 1.49 1.50 2rm5A20 ILE 108 HG13 0.06 0.08 0.05 -0.04 1.21 1.36 2rm5A20 ILE 108 HG23 0.14 0.01 -0.07 -0.04 0.93 0.97 2rm5A20 ILE 108 HD13 0.30 -0.02 -0.02 -0.04 0.88 1.09 2rm5A20 ASN 109 H 0.08 0.26 0.04 -0.55 8.53 8.37 2rm5A20 ASN 109 HA 0.00 0.03 0.32 -0.75 4.76 4.36 2rm5A20 ASN 109 HB2 0.05 0.29 -0.28 -0.04 2.88 2.90 2rm5A20 ASN 109 HB3 0.03 -0.03 -0.08 -0.04 2.79 2.66 2rm5A20 ASN 109 HD21 0.10 0.04 -0.10 -0.04 7.03 7.04 2rm5A20 ASN 109 HD22 0.10 0.01 0.03 -0.04 7.74 7.84 2rm5A20 VAL 110 H -0.10 0.53 0.05 -0.55 8.24 8.17 2rm5A20 VAL 110 HA -0.20 0.04 0.54 -0.75 4.13 3.75 2rm5A20 VAL 110 HB -0.16 0.03 0.12 -0.04 2.12 2.06 2rm5A20 VAL 110 HG13 -1.12 -0.00 0.01 -0.04 0.97 -0.18 2rm5A20 VAL 110 HG23 -0.11 0.03 0.07 -0.04 0.95 0.91 2rm5A20 ASN 111 H -0.02 0.59 0.32 -0.55 8.53 8.88 2rm5A20 ASN 111 HA -0.01 -0.06 0.27 -0.75 4.76 4.21 2rm5A20 ASN 111 HB2 -0.01 -0.13 -0.70 -0.04 2.88 2.00 2rm5A20 ASN 111 HB3 -0.02 0.07 -0.12 -0.04 2.79 2.68 2rm5A20 ASN 111 HD21 -0.06 -0.18 0.12 -0.04 7.03 6.87 2rm5A20 ASN 111 HD22 -0.12 -0.01 0.13 -0.04 7.74 7.70 2rm5A20 GLY 112 H -0.03 0.17 0.12 -0.55 8.43 8.14 2rm5A20 GLY 112 HA2 -0.02 0.08 0.30 -0.51 4.01 3.87 2rm5A20 GLY 112 HA3 -0.01 -0.07 -0.01 -0.51 4.01 3.41 2rm5A20 GLU 113 H 0.01 0.06 0.09 -0.55 8.60 8.21 2rm5A20 GLU 113 HA 0.01 0.26 0.78 -0.75 4.29 4.59 2rm5A20 GLU 113 HB2 0.01 0.05 0.12 -0.04 2.09 2.23 2rm5A20 GLU 113 HB3 0.01 -0.01 0.01 -0.04 1.99 1.96 2rm5A20 GLU 113 HG2 0.02 0.07 -0.23 -0.04 2.34 2.16 2rm5A20 GLU 113 HG3 0.01 0.02 -0.03 -0.04 2.34 2.30 2rm5A20 ASN 114 H 0.02 -0.01 -0.02 -0.55 8.53 7.97 2rm5A20 ASN 114 HA 0.03 0.19 0.62 -0.75 4.76 4.85 2rm5A20 ASN 114 HB2 0.03 -0.11 0.13 -0.04 2.88 2.88 2rm5A20 ASN 114 HB3 0.05 -0.05 0.10 -0.04 2.79 2.86 2rm5A20 ASN 114 HD21 0.03 -0.20 -0.05 -0.04 7.03 6.77 2rm5A20 ASN 114 HD22 0.03 0.02 -0.03 -0.04 7.74 7.72 2rm5A20 ALA 115 H 0.03 0.12 -0.27 -0.55 8.40 7.73 2rm5A20 ALA 115 HA 0.04 0.24 0.42 -0.75 4.34 4.29 2rm5A20 ALA 115 HB3 0.05 0.05 -0.00 -0.04 1.41 1.46 2rm5A20 HIS 116 H 0.17 -0.02 0.04 -0.55 8.41 8.06 2rm5A20 HIS 116 HA 0.08 0.19 0.54 -0.75 4.63 4.69 2rm5A20 HIS 116 HB2 0.14 -0.00 0.12 -0.04 3.26 3.48 2rm5A20 HIS 116 HB3 0.21 -0.16 0.05 -0.04 3.20 3.26 2rm5A20 HIS 116 HD2 0.12 0.03 0.06 -0.04 6.97 7.14 2rm5A20 HIS 116 HE1 0.14 0.21 0.16 -0.04 7.75 8.21 2rm5A20 PRO 117 HA -0.02 0.16 0.37 -0.51 4.44 4.44 2rm5A20 PRO 117 HB2 0.32 0.03 0.01 -0.04 2.28 2.61 2rm5A20 PRO 117 HB3 0.09 0.11 0.13 -0.04 2.02 2.30 2rm5A20 PRO 117 HG2 -0.47 -0.04 0.17 -0.04 2.03 1.64 2rm5A20 PRO 117 HG3 -0.12 0.11 0.13 -0.04 2.03 2.11 2rm5A20 PRO 117 HD2 -0.81 0.05 0.30 -0.04 3.68 3.18 2rm5A20 PRO 117 HD3 -0.15 0.26 0.22 -0.04 3.65 3.94 2rm5A20 LEU 118 H -0.07 0.16 -0.15 -0.55 8.37 7.76 2rm5A20 LEU 118 HA -1.68 0.11 0.43 -0.75 4.35 2.46 2rm5A20 LEU 118 HB2 0.15 0.00 0.05 -0.04 1.64 1.80 2rm5A20 LEU 118 HB3 0.33 -0.05 0.02 -0.04 1.64 1.90 2rm5A20 LEU 118 HG -0.11 0.02 -0.13 -0.04 1.64 1.38 2rm5A20 LEU 118 HD13 -0.88 0.00 -0.34 -0.04 0.93 -0.33 2rm5A20 LEU 118 HD23 -0.28 0.03 0.07 -0.04 0.89 0.67 2rm5A20 TYR 119 H 0.08 0.13 -0.40 -0.55 8.29 7.55 2rm5A20 TYR 119 HA -0.31 0.05 0.57 -0.75 4.56 4.12 2rm5A20 TYR 119 HB2 -0.04 -0.01 0.05 -0.04 3.06 3.01 2rm5A20 TYR 119 HB3 -0.09 0.02 -0.05 -0.04 2.98 2.82 2rm5A20 TYR 119 HD2 -0.27 -0.03 -0.02 -0.04 7.15 6.80 2rm5A20 TYR 119 HE2 -0.59 0.05 -0.05 -0.04 6.85 6.21 2rm5A20 GLU 120 H -0.04 0.56 -0.17 -0.55 8.60 8.41 2rm5A20 GLU 120 HA 0.02 0.04 0.50 -0.75 4.29 4.09 2rm5A20 GLU 120 HB2 -0.03 0.19 0.18 -0.04 2.09 2.40 2rm5A20 GLU 120 HB3 0.03 -0.02 -0.01 -0.04 1.99 1.95 2rm5A20 GLU 120 HG2 0.03 -0.00 -0.05 -0.04 2.34 2.27 2rm5A20 GLU 120 HG3 0.02 0.10 -0.33 -0.04 2.34 2.08 2rm5A20 TYR 121 H -0.28 0.43 -0.35 -0.55 8.29 7.55 2rm5A20 TYR 121 HA -0.05 0.07 0.30 -0.75 4.56 4.12 2rm5A20 TYR 121 HB2 -0.22 -0.05 0.04 -0.04 3.06 2.79 2rm5A20 TYR 121 HB3 -0.70 0.16 0.16 -0.04 2.98 2.56 2rm5A20 TYR 121 HD2 -0.04 -0.01 -0.10 -0.04 7.15 6.97 2rm5A20 TYR 121 HE2 -0.00 0.12 -0.12 -0.04 6.85 6.81 2rm5A20 MET 122 H -0.26 0.39 -0.07 -0.55 8.47 7.99 2rm5A20 MET 122 HA -0.32 0.04 0.35 -0.75 4.52 3.83 2rm5A20 MET 122 HB2 -0.67 -0.04 0.17 -0.04 2.15 1.57 2rm5A20 MET 122 HB3 -1.37 0.01 -0.01 -0.04 2.03 0.62 2rm5A20 MET 122 HG2 -0.38 -0.02 -0.01 -0.04 2.63 2.18 2rm5A20 MET 122 HG3 -0.50 0.22 0.07 -0.04 2.56 2.30 2rm5A20 MET 122 HE3 -0.52 -0.01 -0.10 -0.04 2.10 1.43 2rm5A20 LYS 123 H -0.03 0.67 -0.08 -0.55 8.42 8.42 2rm5A20 LYS 123 HA 0.38 0.05 0.21 -0.75 4.32 4.20 2rm5A20 LYS 123 HB2 0.07 0.08 0.10 -0.04 1.87 2.08 2rm5A20 LYS 123 HB3 0.13 -0.01 0.01 -0.04 1.79 1.88 2rm5A20 LYS 123 HG2 0.31 -0.10 -0.03 -0.04 1.46 1.60 2rm5A20 LYS 123 HG3 0.21 0.07 0.07 -0.04 1.46 1.77 2rm5A20 LYS 123 HD2 0.10 -0.17 -0.08 -0.04 1.69 1.49 2rm5A20 LYS 123 HD3 0.09 0.05 -0.24 -0.04 1.68 1.53 2rm5A20 LYS 123 HE2 0.07 0.16 -0.01 -0.04 2.99 3.16 2rm5A20 LYS 123 HE3 0.08 -0.34 0.01 -0.04 2.99 2.69 2rm5A20 LYS 124 H -0.03 0.41 -0.38 -0.55 8.42 7.87 2rm5A20 LYS 124 HA -0.00 0.04 0.35 -0.75 4.32 3.96 2rm5A20 LYS 124 HB2 -0.01 -0.10 0.03 -0.04 1.87 1.75 2rm5A20 LYS 124 HB3 -0.00 -0.01 0.09 -0.04 1.79 1.83 2rm5A20 LYS 124 HG2 -0.12 0.21 0.21 -0.04 1.46 1.71 2rm5A20 LYS 124 HG3 -0.09 -0.03 -0.16 -0.04 1.46 1.14 2rm5A20 LYS 124 HD2 0.04 0.00 -0.24 -0.04 1.69 1.46 2rm5A20 LYS 124 HD3 0.11 -0.09 -0.08 -0.04 1.68 1.58 2rm5A20 LYS 124 HE2 0.05 -0.00 -0.05 -0.04 2.99 2.94 2rm5A20 LYS 124 HE3 0.03 -0.01 -0.04 -0.04 2.99 2.93 2rm5A20 THR 125 H -0.18 0.39 -0.27 -0.55 8.28 7.67 2rm5A20 THR 125 HA -0.13 -0.00 0.45 -0.75 4.39 3.95 2rm5A20 THR 125 HB -0.34 0.00 0.16 -0.04 4.32 4.10 2rm5A20 THR 125 HG23 -0.15 -0.03 -0.01 -0.04 1.22 0.99 2rm5A20 LYS 126 H 0.02 0.62 -0.16 -0.55 8.42 8.34 2rm5A20 LYS 126 HA -0.05 0.19 0.84 -0.75 4.32 4.55 2rm5A20 LYS 126 HB2 0.05 -0.02 -0.11 -0.04 1.87 1.75 2rm5A20 LYS 126 HB3 -0.11 -0.19 -0.28 -0.04 1.79 1.17 2rm5A20 LYS 126 HG2 -0.05 0.22 -0.37 -0.04 1.46 1.22 2rm5A20 LYS 126 HG3 -0.04 -0.16 -0.76 -0.04 1.46 0.46 2rm5A20 LYS 126 HD2 -0.12 -0.24 -0.26 -0.04 1.69 1.03 2rm5A20 LYS 126 HD3 -0.08 -0.00 0.02 -0.04 1.68 1.58 2rm5A20 LYS 126 HE2 -0.05 0.04 0.03 -0.04 2.99 2.97 2rm5A20 LYS 126 HE3 -0.05 0.09 -0.10 -0.04 2.99 2.89 2rm5A20 PRO 127 HA 0.02 0.16 0.40 -0.51 4.44 4.51 2rm5A20 PRO 127 HB2 -0.01 -0.16 -0.19 -0.04 2.28 1.87 2rm5A20 PRO 127 HB3 -0.00 0.15 -0.14 -0.04 2.02 1.99 2rm5A20 PRO 127 HG2 -0.04 -0.01 -0.07 -0.04 2.03 1.87 2rm5A20 PRO 127 HG3 -0.02 0.07 -0.06 -0.04 2.03 1.97 2rm5A20 PRO 127 HD2 -0.05 0.07 0.14 -0.04 3.68 3.80 2rm5A20 PRO 127 HD3 -0.02 0.32 -0.18 -0.04 3.65 3.72 2rm5A20 GLY 128 H -0.11 0.14 -0.23 -0.55 8.43 7.69 2rm5A20 GLY 128 HA2 -0.22 -0.18 0.34 -0.51 4.01 3.43 2rm5A20 GLY 128 HA3 -0.20 0.11 0.43 -0.51 4.01 3.85 2rm5A20 ILE 129 H -0.02 0.26 0.27 -0.55 8.25 8.22 2rm5A20 ILE 129 HA -0.04 0.22 0.86 -0.75 4.18 4.47 2rm5A20 ILE 129 HB -0.01 -0.15 0.17 -0.04 1.89 1.86 2rm5A20 ILE 129 HG12 -0.06 0.11 0.11 -0.04 1.49 1.61 2rm5A20 ILE 129 HG13 0.08 0.01 -0.18 -0.04 1.21 1.08 2rm5A20 ILE 129 HG23 -0.11 0.02 -0.12 -0.04 0.93 0.69 2rm5A20 ILE 129 HD13 -0.02 -0.04 0.03 -0.04 0.88 0.80 2rm5A20 LEU 130 H 0.01 0.08 0.14 -0.55 8.37 8.05 2rm5A20 LEU 130 HA 0.02 0.01 0.30 -0.75 4.35 3.93 2rm5A20 LEU 130 HB2 0.10 0.33 0.07 -0.04 1.64 2.09 2rm5A20 LEU 130 HB3 0.04 -0.12 0.17 -0.04 1.64 1.70 2rm5A20 LEU 130 HG 0.14 -0.10 -0.38 -0.04 1.64 1.26 2rm5A20 LEU 130 HD13 0.40 0.01 -0.05 -0.04 0.93 1.24 2rm5A20 LEU 130 HD23 0.07 -0.00 0.02 -0.04 0.89 0.94 2rm5A20 ALA 131 H -0.01 0.07 0.10 -0.55 8.40 8.01 2rm5A20 ALA 131 HA -0.02 0.08 0.66 -0.75 4.34 4.31 2rm5A20 ALA 131 HB3 -0.05 -0.00 0.12 -0.04 1.41 1.44 2rm5A20 THR 132 H -0.01 0.25 0.03 -0.55 8.28 7.99 2rm5A20 THR 132 HA 0.01 0.16 0.13 -0.75 4.39 3.93 2rm5A20 THR 132 HB -0.02 -0.01 -0.18 -0.04 4.32 4.07 2rm5A20 THR 132 HG23 -0.02 0.07 -0.48 -0.04 1.22 0.76 2rm5A20 LYS 133 H -0.01 0.18 0.21 -0.55 8.42 8.24 2rm5A20 LYS 133 HA -0.01 0.11 0.46 -0.75 4.32 4.12 2rm5A20 LYS 133 HB2 -0.04 0.09 -0.20 -0.04 1.87 1.68 2rm5A20 LYS 133 HB3 -0.06 -0.07 0.03 -0.04 1.79 1.65 2rm5A20 LYS 133 HG2 -0.02 -0.01 -0.18 -0.04 1.46 1.20 2rm5A20 LYS 133 HG3 -0.02 0.02 0.04 -0.04 1.46 1.46 2rm5A20 LYS 133 HD2 -0.04 -0.01 -0.05 -0.04 1.69 1.56 2rm5A20 LYS 133 HD3 -0.05 -0.04 -0.06 -0.04 1.68 1.49 2rm5A20 LYS 133 HE2 -0.02 0.01 -0.02 -0.04 2.99 2.92 2rm5A20 LYS 133 HE3 -0.03 -0.05 -0.03 -0.04 2.99 2.84 2rm5A20 ALA 134 H -0.07 0.18 0.21 -0.55 8.40 8.18 2rm5A20 ALA 134 HA 0.06 0.23 0.70 -0.75 4.34 4.58 2rm5A20 ALA 134 HB3 -0.03 -0.01 -0.05 -0.04 1.41 1.28 2rm5A20 ILE 135 H 0.01 0.08 0.12 -0.55 8.25 7.91 2rm5A20 ILE 135 HA -0.05 0.16 0.69 -0.75 4.18 4.23 2rm5A20 ILE 135 HB 0.06 -0.05 -0.19 -0.04 1.89 1.68 2rm5A20 ILE 135 HG12 0.53 0.10 -0.07 -0.04 1.49 2.01 2rm5A20 ILE 135 HG13 0.23 -0.03 -0.05 -0.04 1.21 1.31 2rm5A20 ILE 135 HG23 0.42 -0.01 0.12 -0.04 0.93 1.42 2rm5A20 ILE 135 HD13 0.09 -0.02 -0.07 -0.04 0.88 0.84 2rm5A20 LYS 136 H -0.62 -0.05 0.34 -0.55 8.42 7.53 2rm5A20 LYS 136 HA -0.22 0.09 0.42 -0.75 4.32 3.87 2rm5A20 LYS 136 HB2 -0.40 -0.04 0.17 -0.04 1.87 1.56 2rm5A20 LYS 136 HB3 -0.41 0.21 0.12 -0.04 1.79 1.67 2rm5A20 LYS 136 HG2 -1.50 0.05 -0.36 -0.04 1.46 -0.39 2rm5A20 LYS 136 HG3 -1.58 -0.07 -0.15 -0.04 1.46 -0.37 2rm5A20 LYS 136 HD2 -0.42 -0.06 -0.03 -0.04 1.69 1.14 2rm5A20 LYS 136 HD3 -0.41 0.05 -0.09 -0.04 1.68 1.19 2rm5A20 LYS 136 HE2 -0.47 0.17 -0.02 -0.04 2.99 2.63 2rm5A20 LYS 136 HE3 -0.57 -0.09 -0.03 -0.04 2.99 2.26 2rm5A20 TRP 137 H 0.70 0.09 0.38 -0.55 7.97 8.59 2rm5A20 TRP 137 HA 0.00 0.07 0.90 -0.75 4.62 4.84 2rm5A20 TRP 137 HB2 0.04 -0.02 0.08 -0.04 3.23 3.28 2rm5A20 TRP 137 HB3 0.01 0.08 0.08 -0.04 3.23 3.35 2rm5A20 TRP 137 HD1 0.00 -0.01 -0.02 -0.04 7.22 7.15 2rm5A20 TRP 137 HE1 -0.02 0.03 -0.03 -0.04 10.20 10.14 2rm5A20 TRP 137 HE3 0.01 0.05 0.39 -0.04 7.59 8.00 2rm5A20 TRP 137 HZ2 -0.07 0.12 0.01 -0.04 7.44 7.46 2rm5A20 TRP 137 HZ3 0.03 0.05 0.15 -0.04 7.13 7.32 2rm5A20 TRP 137 HH2 -0.06 0.19 -0.03 -0.04 7.19 7.24 2rm5A20 ASN 138 H 0.26 0.09 0.13 -0.55 8.53 8.47 2rm5A20 ASN 138 HA 0.03 -0.00 0.44 -0.75 4.76 4.48 2rm5A20 ASN 138 HB2 0.14 0.08 0.23 -0.04 2.88 3.29 2rm5A20 ASN 138 HB3 0.22 -0.10 0.22 -0.04 2.79 3.08 2rm5A20 ASN 138 HD21 0.03 -0.09 0.07 -0.04 7.03 7.01 2rm5A20 ASN 138 HD22 -0.09 0.39 0.09 -0.04 7.74 8.08 2rm5A20 PHE 139 H 0.13 0.05 0.14 -0.55 8.34 8.11 2rm5A20 PHE 139 HA 0.12 -0.03 -0.19 -0.75 4.62 3.78 2rm5A20 PHE 139 HB2 0.09 -0.07 0.14 -0.04 3.15 3.27 2rm5A20 PHE 139 HB3 0.62 0.08 -0.15 -0.04 3.06 3.57 2rm5A20 PHE 139 HD2 -0.09 0.09 0.00 -0.04 7.28 7.24 2rm5A20 PHE 139 HE2 -0.39 0.03 -0.06 -0.04 7.38 6.92 2rm5A20 PHE 139 HZ -1.33 0.06 -0.07 -0.04 7.32 5.94 2rm5A20 THR 140 H -0.00 -0.15 -0.14 -0.55 8.28 7.43 2rm5A20 THR 140 HA -0.44 -0.03 0.46 -0.75 4.39 3.62 2rm5A20 THR 140 HB -0.32 0.05 0.14 -0.04 4.32 4.15 2rm5A20 THR 140 HG23 -1.25 -0.02 -0.21 -0.04 1.22 -0.31 2rm5A20 SER 141 H -0.34 0.25 0.10 -0.55 8.46 7.92 2rm5A20 SER 141 HA -0.41 0.40 0.52 -0.75 4.49 4.24 2rm5A20 SER 141 HB2 -0.48 -0.02 -0.12 -0.04 3.95 3.29 2rm5A20 SER 141 HB3 -2.77 -0.06 -0.17 -0.04 3.93 0.89 2rm5A20 PHE 142 H 0.21 0.53 0.42 -0.55 8.34 8.95 2rm5A20 PHE 142 HA -0.05 0.16 1.09 -0.75 4.62 5.06 2rm5A20 PHE 142 HB2 -0.08 -0.07 0.16 -0.04 3.15 3.12 2rm5A20 PHE 142 HB3 -0.06 0.06 -0.00 -0.04 3.06 3.01 2rm5A20 PHE 142 HD2 -0.06 0.06 -0.03 -0.04 7.28 7.21 2rm5A20 PHE 142 HE2 0.04 0.15 -0.30 -0.04 7.38 7.23 2rm5A20 PHE 142 HZ 0.13 -0.05 -0.16 -0.04 7.32 7.20 2rm5A20 LEU 143 H 0.07 0.73 0.17 -0.55 8.37 8.79 2rm5A20 LEU 143 HA 0.20 0.10 0.70 -0.75 4.35 4.60 2rm5A20 LEU 143 HB2 0.64 -0.04 -0.04 -0.04 1.64 2.17 2rm5A20 LEU 143 HB3 0.09 -0.11 0.23 -0.04 1.64 1.81 2rm5A20 LEU 143 HG 0.11 -0.01 -0.25 -0.04 1.64 1.45 2rm5A20 LEU 143 HD13 0.13 0.02 -0.16 -0.04 0.93 0.88 2rm5A20 LEU 143 HD23 0.13 0.05 -0.13 -0.04 0.89 0.90 2rm5A20 ILE 144 H 0.15 0.64 0.46 -0.55 8.25 8.95 2rm5A20 ILE 144 HA 0.07 0.11 0.71 -0.75 4.18 4.32 2rm5A20 ILE 144 HB 0.06 0.11 0.14 -0.04 1.89 2.16 2rm5A20 ILE 144 HG12 0.08 0.23 -0.04 -0.04 1.49 1.72 2rm5A20 ILE 144 HG13 -0.05 -0.07 -0.15 -0.04 1.21 0.90 2rm5A20 ILE 144 HG23 -0.04 0.00 -0.22 -0.04 0.93 0.63 2rm5A20 ILE 144 HD13 0.03 -0.02 -0.36 -0.04 0.88 0.49 2rm5A20 ASP 145 H 0.08 0.60 0.31 -0.55 8.40 8.84 2rm5A20 ASP 145 HA 0.10 0.20 0.52 -0.75 4.63 4.69 2rm5A20 ASP 145 HB2 0.07 -0.10 0.25 -0.04 2.71 2.89 2rm5A20 ASP 145 HB3 0.06 0.17 0.19 -0.04 2.70 3.08 2rm5A20 ARG 146 H 0.10 0.16 0.13 -0.55 8.46 8.30 2rm5A20 ARG 146 HA 0.15 0.41 -0.43 -0.75 4.34 3.73 2rm5A20 ARG 146 HB2 0.08 -0.19 -0.01 -0.04 1.90 1.74 2rm5A20 ARG 146 HB3 0.09 0.04 -0.27 -0.04 1.80 1.62 2rm5A20 ARG 146 HG2 0.10 0.16 -0.09 -0.04 1.67 1.80 2rm5A20 ARG 146 HG3 0.08 -0.10 0.07 -0.04 1.67 1.68 2rm5A20 ARG 146 HD2 0.05 0.15 -0.10 -0.04 3.22 3.28 2rm5A20 ARG 146 HD3 0.06 -0.39 0.06 -0.04 3.22 2.90 2rm5A20 ASP 147 H 0.14 -0.11 -0.62 -0.55 8.40 7.26 2rm5A20 ASP 147 HA 0.21 0.22 0.84 -0.75 4.63 5.15 2rm5A20 ASP 147 HB2 0.10 -0.05 -0.09 -0.04 2.71 2.62 2rm5A20 ASP 147 HB3 0.11 -0.00 -0.09 -0.04 2.70 2.68 2rm5A20 GLY 148 H 0.15 0.04 -0.16 -0.55 8.43 7.91 2rm5A20 GLY 148 HA2 -0.17 0.18 0.20 -0.51 4.01 3.71 2rm5A20 GLY 148 HA3 -0.30 0.04 0.82 -0.51 4.01 4.06 2rm5A20 VAL 149 H 0.08 -0.08 0.09 -0.55 8.24 7.78 2rm5A20 VAL 149 HA 0.15 0.31 1.00 -0.75 4.13 4.84 2rm5A20 VAL 149 HB 0.07 -0.12 0.07 -0.04 2.12 2.10 2rm5A20 VAL 149 HG13 0.07 0.06 -0.11 -0.04 0.97 0.95 2rm5A20 VAL 149 HG23 0.11 0.03 -0.15 -0.04 0.95 0.90 2rm5A20 PRO 150 HA 0.07 0.18 0.57 -0.51 4.44 4.75 2rm5A20 PRO 150 HB2 0.02 0.08 -0.02 -0.04 2.28 2.32 2rm5A20 PRO 150 HB3 0.18 0.00 0.01 -0.04 2.02 2.17 2rm5A20 PRO 150 HG2 -0.21 0.12 0.05 -0.04 2.03 1.95 2rm5A20 PRO 150 HG3 -0.03 -0.04 -0.01 -0.04 2.03 1.91 2rm5A20 PRO 150 HD2 -0.03 0.18 0.16 -0.04 3.68 3.95 2rm5A20 PRO 150 HD3 0.18 0.15 0.19 -0.04 3.65 4.13 2rm5A20 VAL 151 H 0.04 0.76 0.49 -0.55 8.24 8.98 2rm5A20 VAL 151 HA -0.01 0.17 0.79 -0.75 4.13 4.33 2rm5A20 VAL 151 HB 0.02 -0.02 0.10 -0.04 2.12 2.19 2rm5A20 VAL 151 HG13 -0.01 -0.00 0.04 -0.04 0.97 0.96 2rm5A20 VAL 151 HG23 0.04 0.02 0.03 -0.04 0.95 1.00 2rm5A20 GLU 152 H -0.04 0.23 0.26 -0.55 8.60 8.51 2rm5A20 GLU 152 HA -0.22 0.18 0.56 -0.75 4.29 4.05 2rm5A20 GLU 152 HB2 -0.25 -0.06 -0.08 -0.04 2.09 1.66 2rm5A20 GLU 152 HB3 -0.81 -0.05 -0.02 -0.04 1.99 1.07 2rm5A20 GLU 152 HG2 -0.13 0.23 -0.24 -0.04 2.34 2.15 2rm5A20 GLU 152 HG3 -0.22 -0.05 -0.05 -0.04 2.34 1.98 2rm5A20 ARG 153 H -0.44 0.22 0.08 -0.55 8.46 7.77 2rm5A20 ARG 153 HA -0.45 0.14 0.76 -0.75 4.34 4.04 2rm5A20 ARG 153 HB2 -0.76 0.16 -0.15 -0.04 1.90 1.11 2rm5A20 ARG 153 HB3 -0.41 -0.13 -0.14 -0.04 1.80 1.07 2rm5A20 ARG 153 HG2 -0.62 -0.06 -0.48 -0.04 1.67 0.48 2rm5A20 ARG 153 HG3 -1.72 0.03 -0.20 -0.04 1.67 -0.26 2rm5A20 ARG 153 HD2 -0.16 -0.01 -0.22 -0.04 3.22 2.79 2rm5A20 ARG 153 HD3 -0.26 -0.10 -0.19 -0.04 3.22 2.64 2rm5A20 PHE 154 H -0.08 0.56 0.09 -0.55 8.34 8.36 2rm5A20 PHE 154 HA -0.19 0.10 0.82 -0.75 4.62 4.59 2rm5A20 PHE 154 HB2 -0.20 -0.08 0.05 -0.04 3.15 2.88 2rm5A20 PHE 154 HB3 -0.14 -0.02 -0.04 -0.04 3.06 2.82 2rm5A20 PHE 154 HD2 -0.13 0.01 -0.19 -0.04 7.28 6.92 2rm5A20 PHE 154 HE2 -0.07 0.14 -0.08 -0.04 7.38 7.33 2rm5A20 PHE 154 HZ -0.07 0.06 -0.03 -0.04 7.32 7.24 2rm5A20 SER 155 H -0.19 0.15 0.07 -0.55 8.46 7.94 2rm5A20 SER 155 HA -0.96 0.16 0.50 -0.75 4.49 3.44 2rm5A20 SER 155 HB2 -1.09 -0.00 0.09 -0.04 3.95 2.91 2rm5A20 SER 155 HB3 -0.34 0.13 0.07 -0.04 3.93 3.74 2rm5A20 PRO 156 HA 0.02 0.08 0.10 -0.51 4.44 4.13 2rm5A20 PRO 156 HB2 0.12 0.16 -0.03 -0.04 2.28 2.49 2rm5A20 PRO 156 HB3 0.17 -0.18 -0.13 -0.04 2.02 1.84 2rm5A20 PRO 156 HG2 0.04 0.09 -0.06 -0.04 2.03 2.05 2rm5A20 PRO 156 HG3 0.05 -0.00 -0.18 -0.04 2.03 1.86 2rm5A20 PRO 156 HD2 -0.72 0.14 0.09 -0.04 3.68 3.15 2rm5A20 PRO 156 HD3 -0.88 0.34 0.12 -0.04 3.65 3.19 2rm5A20 GLY 157 H -0.07 0.04 -0.85 -0.55 8.43 7.00 2rm5A20 GLY 157 HA2 0.01 0.50 0.72 -0.51 4.01 4.73 2rm5A20 GLY 157 HA3 0.02 -0.05 0.28 -0.51 4.01 3.76 2rm5A20 ALA 158 H -0.02 0.18 -0.56 -0.55 8.40 7.46 2rm5A20 ALA 158 HA 0.02 0.07 0.73 -0.75 4.34 4.40 2rm5A20 ALA 158 HB3 0.04 -0.01 -0.09 -0.04 1.41 1.31 2rm5A20 SER 159 H -0.01 0.12 0.12 -0.55 8.46 8.14 2rm5A20 SER 159 HA -0.03 0.19 0.52 -0.75 4.49 4.41 2rm5A20 SER 159 HB2 -0.02 -0.21 0.03 -0.04 3.95 3.71 2rm5A20 SER 159 HB3 -0.02 0.02 0.12 -0.04 3.93 4.01 2rm5A20 VAL 160 H -0.04 0.20 0.14 -0.55 8.24 7.99 2rm5A20 VAL 160 HA -0.08 0.14 0.39 -0.75 4.13 3.82 2rm5A20 VAL 160 HB -0.03 -0.04 0.12 -0.04 2.12 2.13 2rm5A20 VAL 160 HG13 -0.01 0.03 -0.07 -0.04 0.97 0.89 2rm5A20 VAL 160 HG23 -0.04 0.02 0.08 -0.04 0.95 0.97 2rm5A20 LYS 161 H -0.04 0.10 -0.15 -0.55 8.42 7.77 2rm5A20 LYS 161 HA -0.04 0.11 0.26 -0.75 4.32 3.90 2rm5A20 LYS 161 HB2 -0.02 0.05 0.07 -0.04 1.87 1.93 2rm5A20 LYS 161 HB3 -0.02 -0.05 0.04 -0.04 1.79 1.72 2rm5A20 LYS 161 HG2 -0.01 0.01 -0.28 -0.04 1.46 1.14 2rm5A20 LYS 161 HG3 -0.01 0.05 -0.02 -0.04 1.46 1.44 2rm5A20 LYS 161 HD2 -0.00 0.06 -0.07 -0.04 1.69 1.64 2rm5A20 LYS 161 HD3 -0.01 0.00 -0.03 -0.04 1.68 1.60 2rm5A20 LYS 161 HE2 -0.00 0.03 -0.04 -0.04 2.99 2.94 2rm5A20 LYS 161 HE3 -0.01 -0.13 -0.09 -0.04 2.99 2.72 2rm5A20 ASP 162 H -0.05 0.01 -0.45 -0.55 8.40 7.36 2rm5A20 ASP 162 HA 0.02 0.10 0.31 -0.75 4.63 4.30 2rm5A20 ASP 162 HB2 -0.02 0.04 0.10 -0.04 2.71 2.78 2rm5A20 ASP 162 HB3 0.09 0.07 -0.01 -0.04 2.70 2.81 2rm5A20 ILE 163 H -0.22 0.36 -0.41 -0.55 8.25 7.43 2rm5A20 ILE 163 HA -1.06 0.12 0.62 -0.75 4.18 3.10 2rm5A20 ILE 163 HB -0.36 0.12 0.07 -0.04 1.89 1.68 2rm5A20 ILE 163 HG12 -1.92 -0.02 -0.15 -0.04 1.49 -0.64 2rm5A20 ILE 163 HG13 -0.48 0.10 -0.19 -0.04 1.21 0.59 2rm5A20 ILE 163 HG23 -0.58 -0.01 -0.20 -0.04 0.93 0.09 2rm5A20 ILE 163 HD13 -0.25 -0.01 -0.20 -0.04 0.88 0.38 2rm5A20 GLU 164 H -0.17 0.59 0.03 -0.55 8.60 8.50 2rm5A20 GLU 164 HA -0.28 0.01 0.29 -0.75 4.29 3.56 2rm5A20 GLU 164 HB2 -0.06 0.04 0.12 -0.04 2.09 2.15 2rm5A20 GLU 164 HB3 -0.07 0.00 0.00 -0.04 1.99 1.88 2rm5A20 GLU 164 HG2 -0.05 0.01 -0.03 -0.04 2.34 2.22 2rm5A20 GLU 164 HG3 -0.08 0.26 -0.07 -0.04 2.34 2.42 2rm5A20 GLU 165 H -0.05 0.50 -0.29 -0.55 8.60 8.22 2rm5A20 GLU 165 HA -0.03 0.04 0.33 -0.75 4.29 3.87 2rm5A20 GLU 165 HB2 0.01 0.01 0.03 -0.04 2.09 2.10 2rm5A20 GLU 165 HB3 -0.01 -0.05 0.06 -0.04 1.99 1.96 2rm5A20 GLU 165 HG2 0.00 0.16 0.02 -0.04 2.34 2.48 2rm5A20 GLU 165 HG3 0.06 0.09 -0.10 -0.04 2.34 2.35 2rm5A20 LYS 166 H 0.01 0.37 -0.56 -0.55 8.42 7.68 2rm5A20 LYS 166 HA 0.03 0.19 0.84 -0.75 4.32 4.63 2rm5A20 LYS 166 HB2 0.35 0.01 -0.04 -0.04 1.87 2.15 2rm5A20 LYS 166 HB3 0.09 -0.01 0.05 -0.04 1.79 1.89 2rm5A20 LYS 166 HG2 0.30 0.13 0.01 -0.04 1.46 1.86 2rm5A20 LYS 166 HG3 0.25 -0.06 -0.02 -0.04 1.46 1.58 2rm5A20 LYS 166 HD2 0.03 0.02 -0.08 -0.04 1.69 1.62 2rm5A20 LYS 166 HD3 0.06 -0.06 -0.54 -0.04 1.68 1.10 2rm5A20 LYS 166 HE2 0.14 0.12 -0.00 -0.04 2.99 3.21 2rm5A20 LYS 166 HE3 0.02 -0.02 -0.03 -0.04 2.99 2.91 2rm5A20 LEU 167 H -0.10 0.19 -0.15 -0.55 8.37 7.77 2rm5A20 LEU 167 HA -0.07 0.10 0.35 -0.75 4.35 3.98 2rm5A20 LEU 167 HB2 -0.24 0.01 -0.14 -0.04 1.64 1.24 2rm5A20 LEU 167 HB3 -0.37 -0.06 0.02 -0.04 1.64 1.18 2rm5A20 LEU 167 HG -0.63 0.02 -0.33 -0.04 1.64 0.66 2rm5A20 LEU 167 HD13 -0.14 0.00 -0.15 -0.04 0.93 0.60 2rm5A20 LEU 167 HD23 -1.11 -0.02 -0.18 -0.04 0.89 -0.46 2rm5A20 ILE 168 H -0.19 0.61 0.15 -0.55 8.25 8.27 2rm5A20 ILE 168 HA -0.27 0.01 0.28 -0.75 4.18 3.45 2rm5A20 ILE 168 HB -0.07 0.08 0.07 -0.04 1.89 1.93 2rm5A20 ILE 168 HG12 -0.23 -0.03 0.02 -0.04 1.49 1.21 2rm5A20 ILE 168 HG13 -0.22 0.11 0.14 -0.04 1.21 1.20 2rm5A20 ILE 168 HG23 -0.01 -0.01 -0.12 -0.04 0.93 0.75 2rm5A20 ILE 168 HD13 0.03 -0.02 -0.06 -0.04 0.88 0.79 2rm5A20 PRO 169 HA -0.01 0.03 0.41 -0.51 4.44 4.35 2rm5A20 PRO 169 HB2 -0.01 0.10 -0.06 -0.04 2.28 2.27 2rm5A20 PRO 169 HB3 -0.00 0.01 0.04 -0.04 2.02 2.03 2rm5A20 PRO 169 HG2 -0.01 0.12 -0.05 -0.04 2.03 2.05 2rm5A20 PRO 169 HG3 -0.01 -0.01 -0.00 -0.04 2.03 1.96 2rm5A20 PRO 169 HD2 -0.05 0.06 -0.69 -0.04 3.68 2.95 2rm5A20 PRO 169 HD3 -0.05 0.07 -0.05 -0.04 3.65 3.58 2rm5A20 LEU 170 H -0.03 0.26 -0.43 -0.55 8.37 7.62 2rm5A20 LEU 170 HA 0.02 0.22 0.18 -0.75 4.35 4.02 2rm5A20 LEU 170 HB2 0.01 0.13 0.08 -0.04 1.64 1.82 2rm5A20 LEU 170 HB3 0.05 -0.18 -0.01 -0.04 1.64 1.46 2rm5A20 LEU 170 HG 0.01 0.17 0.07 -0.04 1.64 1.85 2rm5A20 LEU 170 HD13 0.06 -0.05 -0.07 -0.04 0.93 0.82 2rm5A20 LEU 170 HD23 0.03 -0.01 0.04 -0.04 0.89 0.91 2rm5A20 LEU 171 H -0.06 0.47 -0.10 -0.55 8.37 8.13 2rm5A20 LEU 171 HA 0.06 0.09 0.41 -0.75 4.35 4.16 2rm5A20 LEU 171 HB2 -0.03 -0.02 0.08 -0.04 1.64 1.63 2rm5A20 LEU 171 HB3 0.03 0.06 -0.07 -0.04 1.64 1.62 2rm5A20 LEU 171 HG -0.24 0.34 -0.13 -0.04 1.64 1.57 2rm5A20 LEU 171 HD13 -0.61 -0.05 -0.12 -0.04 0.93 0.11 2rm5A20 LEU 171 HD23 -0.26 -0.01 -0.16 -0.04 0.89 0.41 2rm5A20 GLY 172 H 0.00 0.30 -0.12 -0.55 8.43 8.06 2rm5A20 GLY 172 HA2 0.03 0.03 0.51 -0.51 4.01 4.06 2rm5A20 GLY 172 HA3 0.02 -0.03 0.29 -0.51 4.01 3.77 2rm5A20 SER 173 H 0.02 0.51 -0.17 -0.55 8.46 8.27 2rm5A20 SER 173 HA 0.03 -0.01 0.58 -0.75 4.49 4.35 2rm5A20 SER 173 HB2 0.02 -0.18 -0.12 -0.04 3.95 3.62 2rm5A20 SER 173 HB3 0.02 0.23 -0.18 -0.04 3.93 3.96 2rm5A20 ALA 174 H 0.04 0.01 0.19 -0.55 8.40 8.10 2rm5A20 ALA 174 HA 0.04 0.26 0.88 -0.75 4.34 4.77 2rm5A20 ALA 174 HB3 0.06 -0.03 0.17 -0.04 1.41 1.57 2rm5A20 ARG 175 H 0.04 -0.23 0.15 -0.55 8.46 7.86 2rm5A20 ARG 175 HA 0.02 0.14 0.31 -0.75 4.34 4.06 2rm5A20 ARG 175 HB2 0.03 0.02 0.07 -0.04 1.90 1.98 2rm5A20 ARG 175 HB3 0.03 0.24 0.05 -0.04 1.80 2.08 2rm5A20 ARG 175 HG2 0.05 -0.20 -0.23 -0.04 1.67 1.25 2rm5A20 ARG 175 HG3 0.04 0.05 -0.28 -0.04 1.67 1.44 2rm5A20 ARG 175 HD2 0.04 0.02 -0.10 -0.04 3.22 3.14 2rm5A20 ARG 175 HD3 0.04 0.07 -0.07 -0.04 3.22 3.21 2rm5A20 LEU 176 H 0.04 -0.09 0.11 -0.55 8.37 7.88 2rm5A20 LEU 176 HA 0.02 0.28 0.52 -0.75 4.35 4.42 2rm5A20 LEU 176 HB2 0.03 0.01 -0.05 -0.04 1.64 1.59 2rm5A20 LEU 176 HB3 0.03 0.02 0.09 -0.04 1.64 1.74 2rm5A20 LEU 176 HG 0.02 -0.01 0.04 -0.04 1.64 1.65 2rm5A20 LEU 176 HD13 0.02 0.02 0.07 -0.04 0.93 1.00 2rm5A20 LEU 176 HD23 0.02 0.01 0.08 -0.04 0.89 0.95