============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 2 1.040 -35.939 -2.480 -5.900 -99.200 -91.000 TRP6 2 1.020 -33.900 -3.400 -5.140 -99.200 -91.000 PHE 6 1.000 -35.088 -11.204 2.771 -99.200 -91.000 TYR 11 0.840 -22.419 -22.306 -5.464 -99.200 -91.000 TYR 13 0.840 -18.020 -20.811 -3.817 -99.200 -91.000 PHE 20 1.000 2.274 -9.013 4.337 -99.200 -91.000 PHE 46 1.000 -8.127 -10.766 -0.206 -99.200 -91.000 TYR 52 0.840 -12.627 -4.360 5.437 -99.200 -91.000 PHE 88 1.000 -6.622 12.306 -3.898 -99.200 -91.000 TRP 95 1.040 -9.154 9.320 1.710 -99.200 -91.000 TRP6 95 1.020 -7.435 8.866 3.242 -99.200 -91.000 PHE 102 1.000 3.148 -6.732 -1.587 -99.200 -91.000 HIS 104 0.900 8.550 -1.493 -7.540 -99.200 -91.000 TYR 114 0.840 7.668 5.476 -1.277 -99.200 -91.000 TYR 118 0.840 7.498 11.690 9.699 -99.200 -91.000 PHE 127 1.000 4.021 3.197 2.600 -99.200 -91.000 PHE 132 1.000 11.864 -7.218 -5.194 -99.200 -91.000 TYR 139 0.840 20.647 -13.107 -6.518 -99.200 -91.000 TRP 165 1.040 7.642 0.230 9.582 -99.200 -91.000 TRP6 165 1.020 6.899 0.569 7.369 -99.200 -91.000 TYR 180 0.840 31.688 -25.480 -6.307 -99.200 -91.000 HIS 181 0.900 25.468 -16.687 -7.008 -99.200 -91.000 HIS 197 0.900 -0.882 8.838 20.657 -99.200 -91.000 HIS 198 0.900 -6.882 7.766 15.818 -99.200 -91.000 HIS 199 0.900 -10.534 8.248 19.067 -99.200 -91.000 HIS 200 0.900 -8.552 0.060 17.649 -99.200 -91.000 HIS 201 0.900 -16.425 6.576 18.524 -99.200 -91.000 HIS 202 0.900 -17.451 -2.358 16.238 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2kw5A15 MET 1 HA 0.08 -0.04 0.20 -0.75 4.52 4.01 2kw5A15 MET 1 HB2 0.11 -0.06 0.11 -0.04 2.15 2.27 2kw5A15 MET 1 HB3 0.10 0.01 -0.02 -0.04 2.03 2.09 2kw5A15 MET 1 HG2 0.05 -0.01 0.04 -0.04 2.63 2.66 2kw5A15 MET 1 HG3 0.05 0.01 0.02 -0.04 2.56 2.60 2kw5A15 MET 1 HE3 0.03 -0.00 0.01 -0.04 2.10 2.09 2kw5A15 TRP 2 H 0.17 0.24 0.08 -0.55 7.97 7.92 2kw5A15 TRP 2 HA 0.00 0.04 0.43 -0.75 4.62 4.34 2kw5A15 TRP 2 HB2 0.00 0.12 -0.11 -0.04 3.23 3.21 2kw5A15 TRP 2 HB3 0.00 -0.04 -0.08 -0.04 3.23 3.07 2kw5A15 TRP 2 HD1 -0.00 0.03 0.09 -0.04 7.22 7.29 2kw5A15 TRP 2 HE1 -0.01 -0.03 0.04 -0.04 10.20 10.15 2kw5A15 TRP 2 HE3 0.01 -0.05 -0.29 -0.04 7.59 7.22 2kw5A15 TRP 2 HZ2 -0.02 -0.02 0.05 -0.04 7.44 7.41 2kw5A15 TRP 2 HZ3 0.01 -0.02 -0.07 -0.04 7.13 7.01 2kw5A15 TRP 2 HH2 -0.01 0.01 0.04 -0.04 7.19 7.19 2kw5A15 ASP 3 H -0.76 0.15 0.09 -0.55 8.40 7.33 2kw5A15 ASP 3 HA -0.26 0.11 0.68 -0.75 4.63 4.40 2kw5A15 ASP 3 HB2 -0.50 -0.02 0.10 -0.04 2.71 2.25 2kw5A15 ASP 3 HB3 -0.28 0.04 -0.05 -0.04 2.70 2.37 2kw5A15 GLU 4 H -0.20 0.18 0.12 -0.55 8.60 8.15 2kw5A15 GLU 4 HA -0.40 0.07 0.57 -0.75 4.29 3.79 2kw5A15 GLU 4 HB2 0.01 -0.03 0.17 -0.04 2.09 2.20 2kw5A15 GLU 4 HB3 0.07 0.06 -0.01 -0.04 1.99 2.07 2kw5A15 GLU 4 HG2 0.12 0.03 0.02 -0.04 2.34 2.47 2kw5A15 GLU 4 HG3 0.30 0.03 -0.00 -0.04 2.34 2.63 2kw5A15 ARG 5 H -0.45 0.22 0.16 -0.55 8.46 7.84 2kw5A15 ARG 5 HA -0.35 -0.01 0.45 -0.75 4.34 3.67 2kw5A15 ARG 5 HB2 -0.23 0.00 0.10 -0.04 1.90 1.73 2kw5A15 ARG 5 HB3 -0.33 0.02 0.09 -0.04 1.80 1.54 2kw5A15 ARG 5 HG2 0.00 0.00 0.18 -0.04 1.67 1.81 2kw5A15 ARG 5 HG3 0.02 0.07 0.15 -0.04 1.67 1.87 2kw5A15 ARG 5 HD2 -0.00 0.00 0.07 -0.04 3.22 3.25 2kw5A15 ARG 5 HD3 0.08 -0.01 0.08 -0.04 3.22 3.32 2kw5A15 PHE 6 H -0.18 0.24 0.24 -0.55 8.34 8.09 2kw5A15 PHE 6 HA -0.01 0.12 0.32 -0.75 4.62 4.29 2kw5A15 PHE 6 HB2 -0.02 0.01 0.07 -0.04 3.15 3.16 2kw5A15 PHE 6 HB3 -0.03 0.06 0.10 -0.04 3.06 3.14 2kw5A15 PHE 6 HD2 -0.05 0.09 -0.01 -0.04 7.28 7.27 2kw5A15 PHE 6 HE2 -0.05 -0.00 0.00 -0.04 7.38 7.29 2kw5A15 PHE 6 HZ -0.04 -0.01 0.01 -0.04 7.32 7.24 2kw5A15 SER 7 H -0.63 -0.02 -0.32 -0.55 8.46 6.95 2kw5A15 SER 7 HA -0.06 0.04 0.60 -0.75 4.49 4.31 2kw5A15 SER 7 HB2 -0.32 -0.03 0.08 -0.04 3.95 3.63 2kw5A15 SER 7 HB3 -0.24 -0.01 0.11 -0.04 3.93 3.75 2kw5A15 GLN 8 H 0.00 0.27 0.26 -0.55 8.47 8.46 2kw5A15 GLN 8 HA -0.00 0.04 0.59 -0.75 4.36 4.23 2kw5A15 GLN 8 HB2 0.02 0.20 -0.33 -0.04 2.15 2.01 2kw5A15 GLN 8 HB3 0.03 0.05 -0.15 -0.04 2.02 1.91 2kw5A15 GLN 8 HG2 0.02 0.04 -0.23 -0.04 2.40 2.18 2kw5A15 GLN 8 HG3 0.02 -0.07 0.05 -0.04 2.39 2.35 2kw5A15 GLN 8 HE21 0.04 -0.02 -0.11 -0.04 6.97 6.84 2kw5A15 GLN 8 HE22 0.05 0.02 -0.06 -0.04 7.69 7.67 2kw5A15 SER 9 H 0.00 0.18 0.09 -0.55 8.46 8.20 2kw5A15 SER 9 HA 0.01 0.02 0.56 -0.75 4.49 4.33 2kw5A15 SER 9 HB2 0.01 0.09 0.22 -0.04 3.95 4.22 2kw5A15 SER 9 HB3 0.01 -0.05 0.10 -0.04 3.93 3.95 2kw5A15 GLU 10 H 0.02 0.34 0.34 -0.55 8.60 8.75 2kw5A15 GLU 10 HA -0.01 0.22 0.55 -0.75 4.29 4.30 2kw5A15 GLU 10 HB2 0.01 0.07 0.15 -0.04 2.09 2.28 2kw5A15 GLU 10 HB3 0.01 -0.08 0.10 -0.04 1.99 1.98 2kw5A15 GLU 10 HG2 -0.00 -0.04 0.03 -0.04 2.34 2.28 2kw5A15 GLU 10 HG3 -0.03 0.00 -0.00 -0.04 2.34 2.27 2kw5A15 TYR 11 H 0.06 -0.04 -0.28 -0.55 8.29 7.49 2kw5A15 TYR 11 HA -0.32 0.06 0.21 -0.75 4.56 3.74 2kw5A15 TYR 11 HB2 -0.11 -0.04 0.07 -0.04 3.06 2.95 2kw5A15 TYR 11 HB3 -0.14 0.01 -0.05 -0.04 2.98 2.76 2kw5A15 TYR 11 HD2 -0.11 0.01 -0.05 -0.04 7.15 6.95 2kw5A15 TYR 11 HE2 0.06 -0.01 0.00 -0.04 6.85 6.87 2kw5A15 VAL 12 H -0.07 0.20 -0.70 -0.55 8.24 7.12 2kw5A15 VAL 12 HA -0.11 -0.12 0.50 -0.75 4.13 3.65 2kw5A15 VAL 12 HB -0.04 0.15 0.12 -0.04 2.12 2.30 2kw5A15 VAL 12 HG13 -0.01 0.04 -0.20 -0.04 0.97 0.76 2kw5A15 VAL 12 HG23 0.00 0.01 0.04 -0.04 0.95 0.96 2kw5A15 TYR 13 H -0.22 0.08 0.25 -0.55 8.29 7.85 2kw5A15 TYR 13 HA -0.09 0.16 0.32 -0.75 4.56 4.19 2kw5A15 TYR 13 HB2 -0.07 -0.18 0.14 -0.04 3.06 2.90 2kw5A15 TYR 13 HB3 -0.08 -0.02 -0.07 -0.04 2.98 2.76 2kw5A15 TYR 13 HD2 -0.14 -0.04 0.05 -0.04 7.15 6.98 2kw5A15 TYR 13 HE2 -0.30 -0.05 0.02 -0.04 6.85 6.48 2kw5A15 GLY 14 H 0.09 -0.04 -0.04 -0.55 8.43 7.90 2kw5A15 GLY 14 HA2 0.03 -0.08 0.30 -0.51 4.01 3.75 2kw5A15 GLY 14 HA3 -0.01 0.21 0.57 -0.51 4.01 4.27 2kw5A15 THR 15 H 0.04 0.00 0.02 -0.55 8.28 7.80 2kw5A15 THR 15 HA -0.00 0.01 0.18 -0.75 4.39 3.82 2kw5A15 THR 15 HB 0.01 0.01 -0.06 -0.04 4.32 4.24 2kw5A15 THR 15 HG23 -0.02 -0.00 0.04 -0.04 1.22 1.19 2kw5A15 GLU 16 H -0.01 0.12 0.08 -0.55 8.60 8.24 2kw5A15 GLU 16 HA 0.11 0.12 0.74 -0.75 4.29 4.50 2kw5A15 GLU 16 HB2 -0.15 0.20 0.11 -0.04 2.09 2.21 2kw5A15 GLU 16 HB3 -0.03 -0.07 0.21 -0.04 1.99 2.06 2kw5A15 GLU 16 HG2 0.13 0.01 -0.07 -0.04 2.34 2.37 2kw5A15 GLU 16 HG3 -0.43 -0.02 0.02 -0.04 2.34 1.87 2kw5A15 PRO 17 HA 0.06 0.11 0.41 -0.51 4.44 4.52 2kw5A15 PRO 17 HB2 0.06 -0.02 -0.04 -0.04 2.28 2.23 2kw5A15 PRO 17 HB3 0.06 0.05 0.00 -0.04 2.02 2.10 2kw5A15 PRO 17 HG2 0.08 -0.11 -0.08 -0.04 2.03 1.89 2kw5A15 PRO 17 HG3 0.10 0.03 -0.01 -0.04 2.03 2.11 2kw5A15 PRO 17 HD2 0.56 0.06 0.22 -0.04 3.68 4.48 2kw5A15 PRO 17 HD3 0.18 0.42 0.10 -0.04 3.65 4.31 2kw5A15 ASN 18 H 0.05 0.14 0.05 -0.55 8.53 8.22 2kw5A15 ASN 18 HA 0.05 0.19 0.67 -0.75 4.76 4.91 2kw5A15 ASN 18 HB2 0.03 -0.03 0.17 -0.04 2.88 3.01 2kw5A15 ASN 18 HB3 0.03 0.01 0.13 -0.04 2.79 2.92 2kw5A15 ASN 18 HD21 0.02 0.03 0.00 -0.04 7.03 7.03 2kw5A15 ASN 18 HD22 0.02 -0.02 0.02 -0.04 7.74 7.72 2kw5A15 ASP 19 H 0.02 0.51 -0.33 -0.55 8.40 8.05 2kw5A15 ASP 19 HA 0.02 0.14 0.63 -0.75 4.63 4.67 2kw5A15 ASP 19 HB2 -0.15 0.10 -0.05 -0.04 2.71 2.57 2kw5A15 ASP 19 HB3 -0.44 -0.01 -0.01 -0.04 2.70 2.20 2kw5A15 PHE 20 H 0.17 0.16 0.13 -0.55 8.34 8.25 2kw5A15 PHE 20 HA 0.01 0.15 0.33 -0.75 4.62 4.36 2kw5A15 PHE 20 HB2 0.11 0.06 0.11 -0.04 3.15 3.38 2kw5A15 PHE 20 HB3 0.12 -0.06 0.08 -0.04 3.06 3.16 2kw5A15 PHE 20 HD2 0.02 -0.01 -0.09 -0.04 7.28 7.16 2kw5A15 PHE 20 HE2 0.05 0.05 -0.06 -0.04 7.38 7.37 2kw5A15 PHE 20 HZ 0.08 0.01 -0.20 -0.04 7.32 7.17 2kw5A15 LEU 21 H -0.06 0.01 -0.35 -0.55 8.37 7.42 2kw5A15 LEU 21 HA -0.09 0.06 0.22 -0.75 4.35 3.79 2kw5A15 LEU 21 HB2 -0.22 -0.10 0.04 -0.04 1.64 1.32 2kw5A15 LEU 21 HB3 -0.53 0.07 -0.08 -0.04 1.64 1.06 2kw5A15 LEU 21 HG 0.01 0.08 -0.13 -0.04 1.64 1.56 2kw5A15 LEU 21 HD13 -0.07 -0.01 -0.04 -0.04 0.93 0.77 2kw5A15 LEU 21 HD23 -0.10 0.01 -0.03 -0.04 0.89 0.73 2kw5A15 VAL 22 H -0.12 0.18 -0.34 -0.55 8.24 7.40 2kw5A15 VAL 22 HA 0.18 0.10 0.31 -0.75 4.13 3.96 2kw5A15 VAL 22 HB 0.09 0.05 0.03 -0.04 2.12 2.24 2kw5A15 VAL 22 HG13 0.19 0.01 0.08 -0.04 0.97 1.21 2kw5A15 VAL 22 HG23 -0.01 0.06 -0.05 -0.04 0.95 0.90 2kw5A15 SER 23 H -0.15 0.26 -0.33 -0.55 8.46 7.69 2kw5A15 SER 23 HA -0.05 0.12 0.34 -0.75 4.49 4.15 2kw5A15 SER 23 HB2 -0.13 0.02 -0.01 -0.04 3.95 3.78 2kw5A15 SER 23 HB3 -0.14 -0.00 0.04 -0.04 3.93 3.79 2kw5A15 VAL 24 H -0.20 0.16 -0.07 -0.55 8.24 7.58 2kw5A15 VAL 24 HA -0.06 0.07 0.30 -0.75 4.13 3.68 2kw5A15 VAL 24 HB -0.03 0.01 0.02 -0.04 2.12 2.08 2kw5A15 VAL 24 HG13 -0.20 0.01 -0.00 -0.04 0.97 0.73 2kw5A15 VAL 24 HG23 -0.03 0.06 -0.11 -0.04 0.95 0.82 2kw5A15 ALA 25 H 0.01 0.49 -0.28 -0.55 8.40 8.07 2kw5A15 ALA 25 HA 0.08 0.03 0.32 -0.75 4.34 4.02 2kw5A15 ALA 25 HB3 0.21 0.04 -0.00 -0.04 1.41 1.62 2kw5A15 ASN 26 H 0.03 0.25 -0.29 -0.55 8.53 7.98 2kw5A15 ASN 26 HA 0.06 0.07 0.50 -0.75 4.76 4.64 2kw5A15 ASN 26 HB2 -0.00 0.16 0.09 -0.04 2.88 3.08 2kw5A15 ASN 26 HB3 0.01 -0.07 0.05 -0.04 2.79 2.74 2kw5A15 ASN 26 HD21 -0.00 -0.05 0.05 -0.04 7.03 6.98 2kw5A15 ASN 26 HD22 0.01 -0.07 -0.02 -0.04 7.74 7.61 2kw5A15 GLN 27 H -0.01 0.16 -0.51 -0.55 8.47 7.55 2kw5A15 GLN 27 HA -0.05 0.05 0.55 -0.75 4.36 4.16 2kw5A15 GLN 27 HB2 -0.03 0.12 0.11 -0.04 2.15 2.31 2kw5A15 GLN 27 HB3 -0.03 -0.09 0.04 -0.04 2.02 1.91 2kw5A15 GLN 27 HG2 -0.03 0.24 -0.01 -0.04 2.40 2.56 2kw5A15 GLN 27 HG3 -0.02 -0.13 -0.06 -0.04 2.39 2.14 2kw5A15 GLN 27 HE21 -0.01 -0.05 -0.47 -0.04 6.97 6.40 2kw5A15 GLN 27 HE22 -0.01 -0.04 -0.13 -0.04 7.69 7.48 2kw5A15 ILE 28 H -0.05 0.15 -0.19 -0.55 8.25 7.62 2kw5A15 ILE 28 HA -0.10 0.05 0.48 -0.75 4.18 3.86 2kw5A15 ILE 28 HB -0.20 0.06 0.06 -0.04 1.89 1.78 2kw5A15 ILE 28 HG12 -0.07 -0.03 -0.03 -0.04 1.49 1.33 2kw5A15 ILE 28 HG13 -0.05 0.28 -0.14 -0.04 1.21 1.26 2kw5A15 ILE 28 HG23 -0.21 0.06 -0.07 -0.04 0.93 0.66 2kw5A15 ILE 28 HD13 -0.03 -0.06 -0.11 -0.04 0.88 0.63 2kw5A15 PRO 29 HA -0.08 0.03 0.49 -0.51 4.44 4.36 2kw5A15 PRO 29 HB2 -0.05 -0.13 0.07 -0.04 2.28 2.12 2kw5A15 PRO 29 HB3 -0.01 0.06 0.08 -0.04 2.02 2.12 2kw5A15 PRO 29 HG2 -0.01 0.05 0.18 -0.04 2.03 2.20 2kw5A15 PRO 29 HG3 -0.04 0.06 0.14 -0.04 2.03 2.15 2kw5A15 PRO 29 HD2 -0.09 0.16 0.33 -0.04 3.68 4.05 2kw5A15 PRO 29 HD3 -0.09 0.19 0.26 -0.04 3.65 3.97 2kw5A15 GLN 30 H -0.02 0.13 0.13 -0.55 8.47 8.16 2kw5A15 GLN 30 HA -0.20 0.16 0.33 -0.75 4.36 3.89 2kw5A15 GLN 30 HB2 0.21 0.05 0.20 -0.04 2.15 2.57 2kw5A15 GLN 30 HB3 0.15 0.04 0.14 -0.04 2.02 2.31 2kw5A15 GLN 30 HG2 0.12 -0.05 0.08 -0.04 2.40 2.50 2kw5A15 GLN 30 HG3 0.10 0.00 -0.06 -0.04 2.39 2.39 2kw5A15 GLN 30 HE21 0.07 0.03 0.01 -0.04 6.97 7.04 2kw5A15 GLN 30 HE22 0.06 -0.05 0.03 -0.04 7.69 7.69 2kw5A15 GLY 31 H -0.09 0.29 -0.82 -0.55 8.43 7.26 2kw5A15 GLY 31 HA2 0.06 0.20 0.74 -0.51 4.01 4.50 2kw5A15 GLY 31 HA3 0.03 -0.06 0.28 -0.51 4.01 3.76 2kw5A15 LYS 32 H 0.07 0.11 0.17 -0.55 8.42 8.22 2kw5A15 LYS 32 HA 0.05 0.47 0.78 -0.75 4.32 4.87 2kw5A15 LYS 32 HB2 0.09 0.03 0.14 -0.04 1.87 2.10 2kw5A15 LYS 32 HB3 0.16 -0.21 0.27 -0.04 1.79 1.97 2kw5A15 LYS 32 HG2 0.13 -0.05 -0.21 -0.04 1.46 1.29 2kw5A15 LYS 32 HG3 0.08 0.13 -0.00 -0.04 1.46 1.62 2kw5A15 LYS 32 HD2 0.23 0.04 0.04 -0.04 1.69 1.96 2kw5A15 LYS 32 HD3 0.16 -0.04 -0.08 -0.04 1.68 1.68 2kw5A15 LYS 32 HE2 0.08 -0.01 -0.05 -0.04 2.99 2.97 2kw5A15 LYS 32 HE3 0.09 -0.00 0.03 -0.04 2.99 3.07 2kw5A15 ILE 33 H -0.01 0.50 0.24 -0.55 8.25 8.43 2kw5A15 ILE 33 HA -0.12 0.24 0.53 -0.75 4.18 4.08 2kw5A15 ILE 33 HB -0.06 -0.11 -0.11 -0.04 1.89 1.58 2kw5A15 ILE 33 HG12 -0.16 0.05 -0.28 -0.04 1.49 1.05 2kw5A15 ILE 33 HG13 -0.07 0.17 -0.23 -0.04 1.21 1.04 2kw5A15 ILE 33 HG23 -0.12 -0.01 -0.43 -0.04 0.93 0.32 2kw5A15 ILE 33 HD13 -0.28 0.01 -0.16 -0.04 0.88 0.40 2kw5A15 LEU 34 H -0.49 0.62 0.19 -0.55 8.37 8.14 2kw5A15 LEU 34 HA -0.39 0.36 0.85 -0.75 4.35 4.42 2kw5A15 LEU 34 HB2 -1.86 0.01 0.03 -0.04 1.64 -0.22 2kw5A15 LEU 34 HB3 -1.23 -0.06 0.19 -0.04 1.64 0.50 2kw5A15 LEU 34 HG -0.41 -0.02 -0.33 -0.04 1.64 0.83 2kw5A15 LEU 34 HD13 -0.23 0.04 -0.02 -0.04 0.93 0.68 2kw5A15 LEU 34 HD23 -0.42 0.03 0.01 -0.04 0.89 0.47 2kw5A15 CYS 35 H -0.17 0.60 0.33 -0.55 8.50 8.71 2kw5A15 CYS 35 HA -0.14 0.33 0.91 -0.75 4.58 4.92 2kw5A15 CYS 35 HB2 -0.07 -0.18 0.17 -0.04 2.97 2.86 2kw5A15 CYS 35 HB3 -0.08 -0.05 0.05 -0.04 2.97 2.85 2kw5A15 LEU 36 H -0.13 0.34 0.36 -0.55 8.37 8.39 2kw5A15 LEU 36 HA -0.10 0.12 0.86 -0.75 4.35 4.48 2kw5A15 LEU 36 HB2 -0.11 -0.05 0.13 -0.04 1.64 1.58 2kw5A15 LEU 36 HB3 -0.09 -0.04 0.06 -0.04 1.64 1.53 2kw5A15 LEU 36 HG -0.14 0.10 -0.11 -0.04 1.64 1.45 2kw5A15 LEU 36 HD13 -0.05 -0.02 -0.10 -0.04 0.93 0.72 2kw5A15 LEU 36 HD23 -0.17 0.06 -0.03 -0.04 0.89 0.71 2kw5A15 ALA 37 H -0.06 0.07 -0.02 -0.55 8.40 7.85 2kw5A15 ALA 37 HA -0.03 -0.10 0.48 -0.75 4.34 3.93 2kw5A15 ALA 37 HB3 -0.02 -0.00 0.10 -0.04 1.41 1.45 2kw5A15 GLU 38 H -0.04 -0.04 0.22 -0.55 8.60 8.20 2kw5A15 GLU 38 HA -0.05 0.44 0.69 -0.75 4.29 4.61 2kw5A15 GLU 38 HB2 -0.05 -0.16 0.22 -0.04 2.09 2.06 2kw5A15 GLU 38 HB3 -0.08 0.19 0.12 -0.04 1.99 2.18 2kw5A15 GLU 38 HG2 -0.03 0.20 0.08 -0.04 2.34 2.55 2kw5A15 GLU 38 HG3 -0.01 -0.17 -0.08 -0.04 2.34 2.03 2kw5A15 GLY 39 H 0.02 0.06 0.17 -0.55 8.43 8.13 2kw5A15 GLY 39 HA2 0.02 0.22 0.66 -0.51 4.01 4.41 2kw5A15 GLY 39 HA3 0.06 0.05 0.42 -0.51 4.01 4.02 2kw5A15 GLU 40 H 0.02 -0.12 0.17 -0.55 8.60 8.13 2kw5A15 GLU 40 HA 0.02 0.27 0.43 -0.75 4.29 4.25 2kw5A15 GLU 40 HB2 0.03 -0.17 0.07 -0.04 2.09 1.98 2kw5A15 GLU 40 HB3 0.03 0.13 0.00 -0.04 1.99 2.11 2kw5A15 GLU 40 HG2 0.03 0.12 -0.10 -0.04 2.34 2.36 2kw5A15 GLU 40 HG3 0.04 -0.13 -0.07 -0.04 2.34 2.14 2kw5A15 GLY 41 H 0.01 -0.07 0.06 -0.55 8.43 7.88 2kw5A15 GLY 41 HA2 0.00 -0.00 0.29 -0.51 4.01 3.79 2kw5A15 GLY 41 HA3 0.01 0.27 0.80 -0.51 4.01 4.59 2kw5A15 ARG 42 H 0.02 -0.11 0.03 -0.55 8.46 7.84 2kw5A15 ARG 42 HA 0.05 0.25 0.37 -0.75 4.34 4.26 2kw5A15 ARG 42 HB2 0.04 0.06 0.05 -0.04 1.90 2.01 2kw5A15 ARG 42 HB3 0.02 -0.15 0.16 -0.04 1.80 1.79 2kw5A15 ARG 42 HG2 0.02 0.01 -0.26 -0.04 1.67 1.41 2kw5A15 ARG 42 HG3 0.06 0.11 -0.01 -0.04 1.67 1.78 2kw5A15 ARG 42 HD2 0.01 -0.08 -0.01 -0.04 3.22 3.11 2kw5A15 ARG 42 HD3 0.02 0.07 -0.03 -0.04 3.22 3.24 2kw5A15 ASN 43 H -0.01 -0.06 0.04 -0.55 8.53 7.96 2kw5A15 ASN 43 HA -0.02 0.17 0.25 -0.75 4.76 4.41 2kw5A15 ASN 43 HB2 -0.08 -0.05 0.08 -0.04 2.88 2.79 2kw5A15 ASN 43 HB3 -0.10 0.12 0.02 -0.04 2.79 2.80 2kw5A15 ASN 43 HD21 -0.01 0.08 0.07 -0.04 7.03 7.13 2kw5A15 ASN 43 HD22 -0.05 -0.16 0.14 -0.04 7.74 7.63 2kw5A15 ALA 44 H 0.01 -0.11 -0.33 -0.55 8.40 7.43 2kw5A15 ALA 44 HA 0.02 0.15 0.34 -0.75 4.34 4.09 2kw5A15 ALA 44 HB3 0.00 0.03 -0.02 -0.04 1.41 1.39 2kw5A15 CYS 45 H 0.05 0.22 -0.19 -0.55 8.50 8.03 2kw5A15 CYS 45 HA 0.04 0.12 0.37 -0.75 4.58 4.35 2kw5A15 CYS 45 HB2 0.03 0.04 0.03 -0.04 2.97 3.04 2kw5A15 CYS 45 HB3 0.03 -0.07 0.13 -0.04 2.97 3.02 2kw5A15 PHE 46 H 0.19 0.18 -0.37 -0.55 8.34 7.79 2kw5A15 PHE 46 HA 0.00 0.13 0.43 -0.75 4.62 4.43 2kw5A15 PHE 46 HB2 0.01 0.07 0.07 -0.04 3.15 3.25 2kw5A15 PHE 46 HB3 0.01 0.05 0.09 -0.04 3.06 3.17 2kw5A15 PHE 46 HD2 0.01 0.05 -0.18 -0.04 7.28 7.12 2kw5A15 PHE 46 HE2 0.01 0.02 -0.06 -0.04 7.38 7.31 2kw5A15 PHE 46 HZ 0.00 0.07 -0.03 -0.04 7.32 7.32 2kw5A15 LEU 47 H 0.20 0.32 -0.30 -0.55 8.37 8.05 2kw5A15 LEU 47 HA 0.21 0.06 0.27 -0.75 4.35 4.13 2kw5A15 LEU 47 HB2 0.13 0.14 0.12 -0.04 1.64 1.98 2kw5A15 LEU 47 HB3 0.27 0.04 -0.05 -0.04 1.64 1.85 2kw5A15 LEU 47 HG 0.17 0.03 0.03 -0.04 1.64 1.83 2kw5A15 LEU 47 HD13 0.02 -0.04 -0.11 -0.04 0.93 0.76 2kw5A15 LEU 47 HD23 0.23 0.01 -0.07 -0.04 0.89 1.02 2kw5A15 ALA 48 H 0.05 0.16 -0.34 -0.55 8.40 7.72 2kw5A15 ALA 48 HA 0.04 0.35 0.61 -0.75 4.34 4.59 2kw5A15 ALA 48 HB3 0.02 -0.00 0.04 -0.04 1.41 1.42 2kw5A15 SER 49 H -0.07 0.39 -0.19 -0.55 8.46 8.03 2kw5A15 SER 49 HA -0.10 0.09 0.49 -0.75 4.49 4.22 2kw5A15 SER 49 HB2 -0.14 0.06 0.16 -0.04 3.95 3.99 2kw5A15 SER 49 HB3 -0.09 -0.05 0.09 -0.04 3.93 3.84 2kw5A15 LEU 50 H -0.22 0.15 -0.74 -0.55 8.37 7.01 2kw5A15 LEU 50 HA -0.29 0.10 0.67 -0.75 4.35 4.08 2kw5A15 LEU 50 HB2 -0.62 0.22 0.08 -0.04 1.64 1.28 2kw5A15 LEU 50 HB3 -0.53 -0.04 0.12 -0.04 1.64 1.16 2kw5A15 LEU 50 HG -0.29 0.32 -0.04 -0.04 1.64 1.59 2kw5A15 LEU 50 HD13 0.24 -0.06 -0.10 -0.04 0.93 0.96 2kw5A15 LEU 50 HD23 -0.28 -0.01 -0.06 -0.04 0.89 0.50 2kw5A15 GLY 51 H -0.20 0.31 -0.43 -0.55 8.43 7.57 2kw5A15 GLY 51 HA2 -0.08 0.02 0.29 -0.51 4.01 3.72 2kw5A15 GLY 51 HA3 -0.14 0.03 0.44 -0.51 4.01 3.83 2kw5A15 TYR 52 H -0.12 0.19 0.02 -0.55 8.29 7.83 2kw5A15 TYR 52 HA 0.02 0.20 0.67 -0.75 4.56 4.70 2kw5A15 TYR 52 HB2 0.01 -0.04 -0.16 -0.04 3.06 2.82 2kw5A15 TYR 52 HB3 0.01 0.06 -0.14 -0.04 2.98 2.87 2kw5A15 TYR 52 HD2 0.02 -0.04 -0.15 -0.04 7.15 6.95 2kw5A15 TYR 52 HE2 0.02 -0.12 -0.03 -0.04 6.85 6.68 2kw5A15 GLU 53 H 0.13 0.29 0.03 -0.55 8.60 8.51 2kw5A15 GLU 53 HA 0.06 0.19 0.61 -0.75 4.29 4.40 2kw5A15 GLU 53 HB2 0.07 -0.03 0.03 -0.04 2.09 2.11 2kw5A15 GLU 53 HB3 0.06 -0.06 -0.04 -0.04 1.99 1.90 2kw5A15 GLU 53 HG2 0.05 0.01 -0.05 -0.04 2.34 2.30 2kw5A15 GLU 53 HG3 0.07 0.09 -0.02 -0.04 2.34 2.44 2kw5A15 VAL 54 H 0.06 0.55 0.17 -0.55 8.24 8.47 2kw5A15 VAL 54 HA 0.01 0.13 0.59 -0.75 4.13 4.10 2kw5A15 VAL 54 HB 0.04 -0.03 0.17 -0.04 2.12 2.25 2kw5A15 VAL 54 HG13 -0.00 -0.01 -0.17 -0.04 0.97 0.75 2kw5A15 VAL 54 HG23 0.11 0.06 -0.26 -0.04 0.95 0.82 2kw5A15 THR 55 H -0.04 0.41 0.19 -0.55 8.28 8.30 2kw5A15 THR 55 HA 0.00 0.03 0.98 -0.75 4.39 4.65 2kw5A15 THR 55 HB 0.03 -0.01 0.00 -0.04 4.32 4.30 2kw5A15 THR 55 HG23 -0.11 -0.02 -0.11 -0.04 1.22 0.94 2kw5A15 ALA 56 H -0.01 0.32 0.14 -0.55 8.40 8.31 2kw5A15 ALA 56 HA -0.06 0.03 0.65 -0.75 4.34 4.21 2kw5A15 ALA 56 HB3 -0.01 -0.02 -0.06 -0.04 1.41 1.27 2kw5A15 VAL 57 H -0.06 0.48 0.19 -0.55 8.24 8.31 2kw5A15 VAL 57 HA 0.01 0.39 0.91 -0.75 4.13 4.70 2kw5A15 VAL 57 HB -0.06 -0.10 0.20 -0.04 2.12 2.13 2kw5A15 VAL 57 HG13 0.02 -0.02 -0.22 -0.04 0.97 0.71 2kw5A15 VAL 57 HG23 0.00 0.05 -0.08 -0.04 0.95 0.88 2kw5A15 ASP 58 H 0.01 0.51 0.19 -0.55 8.40 8.56 2kw5A15 ASP 58 HA -0.01 -0.02 0.59 -0.75 4.63 4.43 2kw5A15 ASP 58 HB2 -0.01 0.05 -0.24 -0.04 2.71 2.48 2kw5A15 ASP 58 HB3 0.00 0.12 0.03 -0.04 2.70 2.82 2kw5A15 GLN 59 H -0.01 0.17 0.18 -0.55 8.47 8.27 2kw5A15 GLN 59 HA 0.01 0.10 0.54 -0.75 4.36 4.25 2kw5A15 GLN 59 HB2 0.01 0.06 0.14 -0.04 2.15 2.31 2kw5A15 GLN 59 HB3 0.00 -0.01 0.15 -0.04 2.02 2.12 2kw5A15 GLN 59 HG2 -0.01 -0.04 0.12 -0.04 2.40 2.44 2kw5A15 GLN 59 HG3 0.00 0.01 -0.07 -0.04 2.39 2.30 2kw5A15 GLN 59 HE21 0.00 0.00 0.03 -0.04 6.97 6.96 2kw5A15 GLN 59 HE22 -0.00 0.02 0.03 -0.04 7.69 7.69 2kw5A15 SER 60 H 0.01 0.01 -0.19 -0.55 8.46 7.74 2kw5A15 SER 60 HA 0.01 0.24 0.89 -0.75 4.49 4.88 2kw5A15 SER 60 HB2 0.01 -0.03 0.08 -0.04 3.95 3.97 2kw5A15 SER 60 HB3 0.01 -0.05 0.12 -0.04 3.93 3.97 2kw5A15 SER 61 H 0.01 0.29 0.15 -0.55 8.46 8.36 2kw5A15 SER 61 HA 0.01 0.12 0.59 -0.75 4.49 4.46 2kw5A15 SER 61 HB2 0.01 0.03 0.09 -0.04 3.95 4.04 2kw5A15 SER 61 HB3 0.01 0.10 0.10 -0.04 3.93 4.10 2kw5A15 VAL 62 H 0.01 0.08 -0.20 -0.55 8.24 7.58 2kw5A15 VAL 62 HA 0.01 0.13 0.46 -0.75 4.13 3.98 2kw5A15 VAL 62 HB 0.01 0.09 0.06 -0.04 2.12 2.24 2kw5A15 VAL 62 HG13 0.01 0.01 0.05 -0.04 0.97 0.99 2kw5A15 VAL 62 HG23 0.01 0.01 -0.09 -0.04 0.95 0.85 2kw5A15 GLY 63 H 0.01 0.14 -0.43 -0.55 8.43 7.61 2kw5A15 GLY 63 HA2 0.01 0.37 0.57 -0.51 4.01 4.45 2kw5A15 GLY 63 HA3 0.01 -0.05 0.11 -0.51 4.01 3.57 2kw5A15 LEU 64 H 0.01 0.15 -0.19 -0.55 8.37 7.80 2kw5A15 LEU 64 HA 0.01 0.08 0.40 -0.75 4.35 4.09 2kw5A15 LEU 64 HB2 0.01 -0.01 0.15 -0.04 1.64 1.76 2kw5A15 LEU 64 HB3 0.01 0.04 -0.03 -0.04 1.64 1.62 2kw5A15 LEU 64 HG 0.01 0.04 0.05 -0.04 1.64 1.69 2kw5A15 LEU 64 HD13 0.02 0.01 -0.12 -0.04 0.93 0.80 2kw5A15 LEU 64 HD23 0.01 -0.07 -0.11 -0.04 0.89 0.68 2kw5A15 ALA 65 H 0.01 0.55 0.07 -0.55 8.40 8.48 2kw5A15 ALA 65 HA 0.01 0.06 0.46 -0.75 4.34 4.12 2kw5A15 ALA 65 HB3 0.01 0.02 0.07 -0.04 1.41 1.47 2kw5A15 LYS 66 H 0.01 0.20 -0.54 -0.55 8.42 7.55 2kw5A15 LYS 66 HA 0.02 0.04 0.47 -0.75 4.32 4.10 2kw5A15 LYS 66 HB2 0.02 0.13 0.16 -0.04 1.87 2.14 2kw5A15 LYS 66 HB3 0.02 0.07 0.17 -0.04 1.79 2.01 2kw5A15 LYS 66 HG2 0.03 -0.03 -0.11 -0.04 1.46 1.30 2kw5A15 LYS 66 HG3 0.03 0.02 -0.27 -0.04 1.46 1.20 2kw5A15 LYS 66 HD2 0.02 -0.05 0.08 -0.04 1.69 1.70 2kw5A15 LYS 66 HD3 0.02 0.01 0.00 -0.04 1.68 1.67 2kw5A15 LYS 66 HE2 0.04 0.00 -0.05 -0.04 2.99 2.94 2kw5A15 LYS 66 HE3 0.03 0.01 -0.02 -0.04 2.99 2.96 2kw5A15 ALA 67 H 0.02 0.36 -0.22 -0.55 8.40 8.01 2kw5A15 ALA 67 HA 0.02 -0.01 0.41 -0.75 4.34 4.01 2kw5A15 ALA 67 HB3 0.01 0.04 0.12 -0.04 1.41 1.54 2kw5A15 LYS 68 H 0.01 0.49 -0.16 -0.55 8.42 8.21 2kw5A15 LYS 68 HA 0.01 0.05 0.32 -0.75 4.32 3.95 2kw5A15 LYS 68 HB2 0.01 -0.01 0.07 -0.04 1.87 1.91 2kw5A15 LYS 68 HB3 0.01 0.06 0.07 -0.04 1.79 1.89 2kw5A15 LYS 68 HG2 0.00 0.01 -0.08 -0.04 1.46 1.36 2kw5A15 LYS 68 HG3 0.01 0.01 0.05 -0.04 1.46 1.49 2kw5A15 LYS 68 HD2 0.01 -0.03 -0.01 -0.04 1.69 1.61 2kw5A15 LYS 68 HD3 0.00 -0.01 -0.02 -0.04 1.68 1.61 2kw5A15 LYS 68 HE2 0.00 -0.01 -0.01 -0.04 2.99 2.93 2kw5A15 LYS 68 HE3 -0.00 0.01 -0.01 -0.04 2.99 2.95 2kw5A15 GLN 69 H 0.01 0.39 -0.30 -0.55 8.47 8.03 2kw5A15 GLN 69 HA 0.01 0.04 0.56 -0.75 4.36 4.21 2kw5A15 GLN 69 HB2 0.01 0.11 0.16 -0.04 2.15 2.39 2kw5A15 GLN 69 HB3 0.02 0.10 0.20 -0.04 2.02 2.29 2kw5A15 GLN 69 HG2 0.01 -0.03 -0.01 -0.04 2.40 2.33 2kw5A15 GLN 69 HG3 0.01 -0.01 -0.16 -0.04 2.39 2.19 2kw5A15 GLN 69 HE21 0.01 -0.00 -0.01 -0.04 6.97 6.93 2kw5A15 GLN 69 HE22 0.01 -0.01 -0.02 -0.04 7.69 7.63 2kw5A15 LEU 70 H 0.02 0.57 -0.03 -0.55 8.37 8.37 2kw5A15 LEU 70 HA 0.01 0.01 0.47 -0.75 4.35 4.09 2kw5A15 LEU 70 HB2 0.02 -0.04 0.08 -0.04 1.64 1.66 2kw5A15 LEU 70 HB3 0.02 0.06 0.08 -0.04 1.64 1.76 2kw5A15 LEU 70 HG -0.00 0.08 -0.09 -0.04 1.64 1.59 2kw5A15 LEU 70 HD13 0.00 -0.02 0.04 -0.04 0.93 0.92 2kw5A15 LEU 70 HD23 0.02 -0.02 -0.17 -0.04 0.89 0.68 2kw5A15 ALA 71 H 0.01 0.23 -0.48 -0.55 8.40 7.62 2kw5A15 ALA 71 HA 0.00 0.02 0.33 -0.75 4.34 3.94 2kw5A15 ALA 71 HB3 0.01 0.10 0.09 -0.04 1.41 1.56 2kw5A15 GLN 72 H 0.00 0.48 -0.03 -0.55 8.47 8.38 2kw5A15 GLN 72 HA 0.00 0.05 0.39 -0.75 4.36 4.05 2kw5A15 GLN 72 HB2 0.00 0.08 0.18 -0.04 2.15 2.38 2kw5A15 GLN 72 HB3 -0.00 -0.05 0.06 -0.04 2.02 2.00 2kw5A15 GLN 72 HG2 -0.00 -0.03 0.06 -0.04 2.40 2.38 2kw5A15 GLN 72 HG3 0.00 0.10 0.14 -0.04 2.39 2.59 2kw5A15 GLN 72 HE21 -0.00 0.00 0.01 -0.04 6.97 6.94 2kw5A15 GLN 72 HE22 -0.00 -0.08 -0.03 -0.04 7.69 7.55 2kw5A15 GLU 73 H 0.01 0.30 -0.38 -0.55 8.60 7.99 2kw5A15 GLU 73 HA 0.01 0.01 0.38 -0.75 4.29 3.93 2kw5A15 GLU 73 HB2 0.01 0.01 0.07 -0.04 2.09 2.13 2kw5A15 GLU 73 HB3 0.01 0.00 0.17 -0.04 1.99 2.13 2kw5A15 GLU 73 HG2 0.01 0.05 -0.24 -0.04 2.34 2.13 2kw5A15 GLU 73 HG3 0.01 -0.03 -0.01 -0.04 2.34 2.27 2kw5A15 LYS 74 H -0.00 0.45 -0.09 -0.55 8.42 8.23 2kw5A15 LYS 74 HA -0.01 0.12 0.58 -0.75 4.32 4.25 2kw5A15 LYS 74 HB2 -0.02 -0.15 -0.02 -0.04 1.87 1.65 2kw5A15 LYS 74 HB3 -0.02 0.04 0.05 -0.04 1.79 1.81 2kw5A15 LYS 74 HG2 -0.03 -0.00 0.08 -0.04 1.46 1.46 2kw5A15 LYS 74 HG3 -0.03 0.11 0.03 -0.04 1.46 1.53 2kw5A15 LYS 74 HD2 -0.04 -0.06 -0.04 -0.04 1.69 1.50 2kw5A15 LYS 74 HD3 -0.06 -0.11 0.07 -0.04 1.68 1.54 2kw5A15 LYS 74 HE2 -0.08 0.02 0.15 -0.04 2.99 3.04 2kw5A15 LYS 74 HE3 -0.07 -0.05 0.10 -0.04 2.99 2.94 2kw5A15 GLY 75 H 0.00 0.12 -0.47 -0.55 8.43 7.54 2kw5A15 GLY 75 HA2 0.01 -0.00 0.28 -0.51 4.01 3.79 2kw5A15 GLY 75 HA3 0.01 0.01 0.44 -0.51 4.01 3.96 2kw5A15 VAL 76 H -0.00 0.49 0.12 -0.55 8.24 8.30 2kw5A15 VAL 76 HA 0.00 0.18 0.73 -0.75 4.13 4.29 2kw5A15 VAL 76 HB -0.01 0.07 -0.03 -0.04 2.12 2.10 2kw5A15 VAL 76 HG13 -0.04 0.01 -0.20 -0.04 0.97 0.71 2kw5A15 VAL 76 HG23 -0.01 -0.04 -0.24 -0.04 0.95 0.62 2kw5A15 LYS 77 H 0.01 0.26 0.08 -0.55 8.42 8.21 2kw5A15 LYS 77 HA 0.02 0.11 0.76 -0.75 4.32 4.46 2kw5A15 LYS 77 HB2 0.02 0.03 -0.09 -0.04 1.87 1.79 2kw5A15 LYS 77 HB3 0.03 0.01 0.04 -0.04 1.79 1.83 2kw5A15 LYS 77 HG2 0.03 -0.03 -0.29 -0.04 1.46 1.13 2kw5A15 LYS 77 HG3 0.02 0.02 -0.01 -0.04 1.46 1.44 2kw5A15 LYS 77 HD2 0.03 0.01 -0.06 -0.04 1.69 1.62 2kw5A15 LYS 77 HD3 0.04 -0.01 -0.08 -0.04 1.68 1.58 2kw5A15 LYS 77 HE2 0.02 0.00 -0.05 -0.04 2.99 2.92 2kw5A15 LYS 77 HE3 0.03 -0.01 -0.06 -0.04 2.99 2.91 2kw5A15 ILE 78 H 0.02 0.18 0.18 -0.55 8.25 8.07 2kw5A15 ILE 78 HA 0.02 0.32 0.74 -0.75 4.18 4.50 2kw5A15 ILE 78 HB 0.01 -0.05 -0.07 -0.04 1.89 1.74 2kw5A15 ILE 78 HG12 0.02 -0.02 -0.39 -0.04 1.49 1.06 2kw5A15 ILE 78 HG13 0.01 0.15 -0.36 -0.04 1.21 0.97 2kw5A15 ILE 78 HG23 0.01 -0.03 -0.10 -0.04 0.93 0.78 2kw5A15 ILE 78 HD13 0.02 -0.01 -0.08 -0.04 0.88 0.77 2kw5A15 THR 79 H 0.02 0.53 0.23 -0.55 8.28 8.51 2kw5A15 THR 79 HA 0.02 0.10 0.49 -0.75 4.39 4.25 2kw5A15 THR 79 HB 0.03 -0.06 0.07 -0.04 4.32 4.32 2kw5A15 THR 79 HG23 0.03 0.01 -0.11 -0.04 1.22 1.11 2kw5A15 THR 80 H 0.02 0.17 0.03 -0.55 8.28 7.95 2kw5A15 THR 80 HA 0.01 0.17 0.52 -0.75 4.39 4.34 2kw5A15 THR 80 HB 0.01 -0.04 -0.04 -0.04 4.32 4.22 2kw5A15 THR 80 HG23 0.01 0.01 -0.03 -0.04 1.22 1.17 2kw5A15 VAL 81 H 0.03 0.77 0.41 -0.55 8.24 8.89 2kw5A15 VAL 81 HA 0.04 0.11 0.81 -0.75 4.13 4.34 2kw5A15 VAL 81 HB 0.10 -0.03 -0.04 -0.04 2.12 2.10 2kw5A15 VAL 81 HG13 0.23 0.03 -0.14 -0.04 0.97 1.05 2kw5A15 VAL 81 HG23 0.09 0.05 -0.23 -0.04 0.95 0.82 2kw5A15 GLN 82 H 0.05 0.18 0.10 -0.55 8.47 8.25 2kw5A15 GLN 82 HA 0.03 0.08 0.63 -0.75 4.36 4.35 2kw5A15 GLN 82 HB2 0.03 0.00 0.05 -0.04 2.15 2.19 2kw5A15 GLN 82 HB3 0.04 0.02 0.08 -0.04 2.02 2.12 2kw5A15 GLN 82 HG2 0.03 0.10 -0.19 -0.04 2.40 2.30 2kw5A15 GLN 82 HG3 0.02 -0.04 0.01 -0.04 2.39 2.35 2kw5A15 GLN 82 HE21 0.02 -0.04 -0.01 -0.04 6.97 6.89 2kw5A15 GLN 82 HE22 0.02 0.01 -0.01 -0.04 7.69 7.67 2kw5A15 SER 83 H 0.03 0.25 0.13 -0.55 8.46 8.32 2kw5A15 SER 83 HA 0.05 0.06 0.22 -0.75 4.49 4.07 2kw5A15 SER 83 HB2 0.01 -0.10 -0.33 -0.04 3.95 3.48 2kw5A15 SER 83 HB3 0.02 0.02 0.09 -0.04 3.93 4.02 2kw5A15 ASN 84 H 0.09 0.31 0.11 -0.55 8.53 8.50 2kw5A15 ASN 84 HA 0.05 0.03 0.45 -0.75 4.76 4.53 2kw5A15 ASN 84 HB2 0.07 -0.07 0.10 -0.04 2.88 2.94 2kw5A15 ASN 84 HB3 0.06 0.11 0.03 -0.04 2.79 2.95 2kw5A15 ASN 84 HD21 0.09 0.06 -0.23 -0.04 7.03 6.91 2kw5A15 ASN 84 HD22 0.13 -0.01 0.01 -0.04 7.74 7.83 2kw5A15 LEU 85 H 0.03 0.15 0.04 -0.55 8.37 8.05 2kw5A15 LEU 85 HA -0.02 0.40 0.13 -0.75 4.35 4.12 2kw5A15 LEU 85 HB2 0.02 -0.03 0.05 -0.04 1.64 1.64 2kw5A15 LEU 85 HB3 0.00 0.07 0.01 -0.04 1.64 1.68 2kw5A15 LEU 85 HG 0.00 -0.10 0.01 -0.04 1.64 1.51 2kw5A15 LEU 85 HD13 0.00 -0.00 0.00 -0.04 0.93 0.89 2kw5A15 LEU 85 HD23 -0.07 0.04 0.03 -0.04 0.89 0.85 2kw5A15 ALA 86 H 0.04 -0.01 -0.23 -0.55 8.40 7.66 2kw5A15 ALA 86 HA 0.04 0.14 0.35 -0.75 4.34 4.11 2kw5A15 ALA 86 HB3 0.04 0.00 0.01 -0.04 1.41 1.42 2kw5A15 ASP 87 H 0.08 0.13 -0.49 -0.55 8.40 7.56 2kw5A15 ASP 87 HA 0.07 0.18 0.80 -0.75 4.63 4.93 2kw5A15 ASP 87 HB2 0.06 -0.06 -0.11 -0.04 2.71 2.57 2kw5A15 ASP 87 HB3 0.10 0.05 0.03 -0.04 2.70 2.84 2kw5A15 PHE 88 H 0.13 0.26 0.06 -0.55 8.34 8.24 2kw5A15 PHE 88 HA 0.05 0.06 0.59 -0.75 4.62 4.57 2kw5A15 PHE 88 HB2 0.04 0.09 -0.15 -0.04 3.15 3.09 2kw5A15 PHE 88 HB3 0.04 -0.02 -0.04 -0.04 3.06 3.00 2kw5A15 PHE 88 HD2 0.06 -0.01 -0.11 -0.04 7.28 7.18 2kw5A15 PHE 88 HE2 0.15 -0.03 -0.14 -0.04 7.38 7.32 2kw5A15 PHE 88 HZ 0.27 0.02 -0.13 -0.04 7.32 7.44 2kw5A15 ASP 89 H -0.32 0.11 -0.06 -0.55 8.40 7.59 2kw5A15 ASP 89 HA -0.32 0.08 0.84 -0.75 4.63 4.47 2kw5A15 ASP 89 HB2 -0.09 0.03 -0.01 -0.04 2.71 2.60 2kw5A15 ASP 89 HB3 -0.08 -0.04 -0.02 -0.04 2.70 2.52 2kw5A15 ILE 90 H -0.10 0.23 0.07 -0.55 8.25 7.90 2kw5A15 ILE 90 HA 0.21 0.13 0.70 -0.75 4.18 4.46 2kw5A15 ILE 90 HB 0.32 0.11 -0.13 -0.04 1.89 2.14 2kw5A15 ILE 90 HG12 -0.02 -0.12 -0.10 -0.04 1.49 1.21 2kw5A15 ILE 90 HG13 0.04 0.05 0.02 -0.04 1.21 1.28 2kw5A15 ILE 90 HG23 -0.07 -0.00 -0.22 -0.04 0.93 0.60 2kw5A15 ILE 90 HD13 -0.01 0.04 -0.31 -0.04 0.88 0.55 2kw5A15 VAL 91 H 0.72 0.23 -0.04 -0.55 8.24 8.60 2kw5A15 VAL 91 HA -0.03 0.20 0.77 -0.75 4.13 4.31 2kw5A15 VAL 91 HB 0.19 -0.02 0.16 -0.04 2.12 2.41 2kw5A15 VAL 91 HG13 -0.05 -0.02 0.01 -0.04 0.97 0.86 2kw5A15 VAL 91 HG23 0.29 0.01 -0.17 -0.04 0.95 1.04 2kw5A15 ALA 92 H -0.30 0.28 0.03 -0.55 8.40 7.87 2kw5A15 ALA 92 HA -1.85 0.11 0.14 -0.75 4.34 1.98 2kw5A15 ALA 92 HB3 -0.26 0.05 0.07 -0.04 1.41 1.23 2kw5A15 ASP 93 H -0.44 -0.06 -0.67 -0.55 8.40 6.69 2kw5A15 ASP 93 HA -0.23 0.12 0.42 -0.75 4.63 4.19 2kw5A15 ASP 93 HB2 -0.16 -0.03 0.05 -0.04 2.71 2.53 2kw5A15 ASP 93 HB3 -0.18 -0.06 0.07 -0.04 2.70 2.48 2kw5A15 ALA 94 H -0.46 0.17 0.02 -0.55 8.40 7.58 2kw5A15 ALA 94 HA -0.10 0.02 0.20 -0.75 4.34 3.71 2kw5A15 ALA 94 HB3 -0.04 -0.02 0.05 -0.04 1.41 1.36 2kw5A15 TRP 95 H -0.80 0.16 -0.34 -0.55 7.97 6.45 2kw5A15 TRP 95 HA 0.01 0.12 0.78 -0.75 4.62 4.77 2kw5A15 TRP 95 HB2 0.02 0.06 -0.09 -0.04 3.23 3.18 2kw5A15 TRP 95 HB3 0.03 -0.03 -0.18 -0.04 3.23 3.02 2kw5A15 TRP 95 HD1 0.11 -0.03 -0.15 -0.04 7.22 7.11 2kw5A15 TRP 95 HE1 0.21 -0.15 -0.05 -0.04 10.20 10.17 2kw5A15 TRP 95 HE3 -0.01 0.17 -0.86 -0.04 7.59 6.85 2kw5A15 TRP 95 HZ2 -0.03 -0.37 -0.10 -0.04 7.44 6.89 2kw5A15 TRP 95 HZ3 -0.04 0.08 -0.26 -0.04 7.13 6.86 2kw5A15 TRP 95 HH2 -0.05 -0.01 -0.17 -0.04 7.19 6.92 2kw5A15 GLU 96 H 0.35 0.15 0.17 -0.55 8.60 8.73 2kw5A15 GLU 96 HA 0.14 0.18 0.64 -0.75 4.29 4.50 2kw5A15 GLU 96 HB2 0.11 -0.10 0.30 -0.04 2.09 2.36 2kw5A15 GLU 96 HB3 0.08 0.05 0.12 -0.04 1.99 2.20 2kw5A15 GLU 96 HG2 0.06 0.11 0.01 -0.04 2.34 2.47 2kw5A15 GLU 96 HG3 0.10 -0.03 0.03 -0.04 2.34 2.40 2kw5A15 GLY 97 H 0.11 0.19 0.10 -0.55 8.43 8.27 2kw5A15 GLY 97 HA2 0.10 0.12 0.24 -0.51 4.01 3.96 2kw5A15 GLY 97 HA3 -0.01 0.08 0.31 -0.51 4.01 3.88 2kw5A15 ILE 98 H -0.03 0.35 0.29 -0.55 8.25 8.31 2kw5A15 ILE 98 HA -0.35 0.12 0.89 -0.75 4.18 4.09 2kw5A15 ILE 98 HB -0.04 -0.14 0.05 -0.04 1.89 1.72 2kw5A15 ILE 98 HG12 -0.10 0.10 -0.19 -0.04 1.49 1.26 2kw5A15 ILE 98 HG13 0.15 0.04 -0.11 -0.04 1.21 1.25 2kw5A15 ILE 98 HG23 -0.15 0.00 -0.07 -0.04 0.93 0.67 2kw5A15 ILE 98 HD13 0.18 -0.00 -0.02 -0.04 0.88 0.99 2kw5A15 VAL 99 H -0.20 0.82 0.26 -0.55 8.24 8.57 2kw5A15 VAL 99 HA -0.06 0.30 0.37 -0.75 4.13 3.98 2kw5A15 VAL 99 HB -0.08 0.15 0.03 -0.04 2.12 2.17 2kw5A15 VAL 99 HG13 -0.10 -0.03 -0.21 -0.04 0.97 0.59 2kw5A15 VAL 99 HG23 -0.08 -0.04 -0.07 -0.04 0.95 0.73 2kw5A15 SER 100 H -0.08 0.44 0.16 -0.55 8.46 8.43 2kw5A15 SER 100 HA -0.14 0.01 0.85 -0.75 4.49 4.46 2kw5A15 SER 100 HB2 0.01 0.07 -0.06 -0.04 3.95 3.94 2kw5A15 SER 100 HB3 -0.18 -0.07 0.17 -0.04 3.93 3.80 2kw5A15 ILE 101 H -0.18 0.15 0.06 -0.55 8.25 7.73 2kw5A15 ILE 101 HA -0.40 0.08 0.55 -0.75 4.18 3.65 2kw5A15 ILE 101 HB -0.17 -0.01 0.11 -0.04 1.89 1.78 2kw5A15 ILE 101 HG12 -0.15 0.07 -0.01 -0.04 1.49 1.35 2kw5A15 ILE 101 HG13 -0.14 -0.17 0.01 -0.04 1.21 0.87 2kw5A15 ILE 101 HG23 -0.43 -0.01 0.11 -0.04 0.93 0.55 2kw5A15 ILE 101 HD13 -0.21 0.03 -0.07 -0.04 0.88 0.59 2kw5A15 PHE 102 H -0.83 0.02 0.21 -0.55 8.34 7.18 2kw5A15 PHE 102 HA -0.10 -0.03 0.58 -0.75 4.62 4.31 2kw5A15 PHE 102 HB2 -0.04 -0.09 0.19 -0.04 3.15 3.17 2kw5A15 PHE 102 HB3 -0.03 0.09 0.14 -0.04 3.06 3.22 2kw5A15 PHE 102 HD2 -0.10 -0.11 0.03 -0.04 7.28 7.06 2kw5A15 PHE 102 HE2 -0.23 0.01 -0.06 -0.04 7.38 7.06 2kw5A15 PHE 102 HZ -0.21 -0.02 0.00 -0.04 7.32 7.05 2kw5A15 CYS 103 H 0.04 0.15 0.25 -0.55 8.50 8.39 2kw5A15 CYS 103 HA -0.15 0.11 0.84 -0.75 4.58 4.62 2kw5A15 CYS 103 HB2 -0.02 -0.09 -0.00 -0.04 2.97 2.81 2kw5A15 CYS 103 HB3 -0.09 0.29 -0.06 -0.04 2.97 3.06 2kw5A15 HIS 104 H -0.34 0.24 0.02 -0.55 8.41 7.78 2kw5A15 HIS 104 HA 0.15 0.06 0.54 -0.75 4.63 4.62 2kw5A15 HIS 104 HB2 0.06 0.02 0.12 -0.04 3.26 3.43 2kw5A15 HIS 104 HB3 0.09 0.08 0.11 -0.04 3.20 3.43 2kw5A15 HIS 104 HD2 0.05 -0.05 0.11 -0.04 6.97 7.03 2kw5A15 HIS 104 HE1 0.12 -0.00 -0.03 -0.04 7.75 7.79 2kw5A15 LEU 105 H 0.21 0.15 0.01 -0.55 8.37 8.20 2kw5A15 LEU 105 HA 0.09 0.20 0.81 -0.75 4.35 4.69 2kw5A15 LEU 105 HB2 0.28 -0.02 -0.10 -0.04 1.64 1.76 2kw5A15 LEU 105 HB3 0.13 -0.05 -0.12 -0.04 1.64 1.55 2kw5A15 LEU 105 HG 0.23 -0.03 -0.13 -0.04 1.64 1.67 2kw5A15 LEU 105 HD13 0.16 0.00 -0.07 -0.04 0.93 0.98 2kw5A15 LEU 105 HD23 0.04 0.02 -0.05 -0.04 0.89 0.86 2kw5A15 PRO 106 HA 0.03 0.14 0.54 -0.51 4.44 4.64 2kw5A15 PRO 106 HB2 0.03 -0.05 0.03 -0.04 2.28 2.25 2kw5A15 PRO 106 HB3 0.03 0.12 0.12 -0.04 2.02 2.24 2kw5A15 PRO 106 HG2 0.04 -0.12 0.10 -0.04 2.03 2.01 2kw5A15 PRO 106 HG3 0.04 0.14 0.09 -0.04 2.03 2.26 2kw5A15 PRO 106 HD2 0.06 0.07 0.26 -0.04 3.68 4.03 2kw5A15 PRO 106 HD3 0.06 0.26 0.17 -0.04 3.65 4.10 2kw5A15 SER 107 H 0.01 0.20 0.12 -0.55 8.46 8.24 2kw5A15 SER 107 HA -0.01 0.09 0.19 -0.75 4.49 4.00 2kw5A15 SER 107 HB2 -0.00 0.04 0.12 -0.04 3.95 4.06 2kw5A15 SER 107 HB3 0.01 -0.00 0.06 -0.04 3.93 3.96 2kw5A15 SER 108 H 0.02 0.05 -0.29 -0.55 8.46 7.70 2kw5A15 SER 108 HA 0.03 0.13 0.47 -0.75 4.49 4.36 2kw5A15 SER 108 HB2 0.03 0.08 0.00 -0.04 3.95 4.02 2kw5A15 SER 108 HB3 0.02 0.04 0.07 -0.04 3.93 4.02 2kw5A15 LEU 109 H 0.05 0.26 -0.04 -0.55 8.37 8.09 2kw5A15 LEU 109 HA 0.06 0.13 0.38 -0.75 4.35 4.17 2kw5A15 LEU 109 HB2 0.07 0.04 0.08 -0.04 1.64 1.79 2kw5A15 LEU 109 HB3 0.08 -0.00 0.06 -0.04 1.64 1.73 2kw5A15 LEU 109 HG 0.04 -0.03 0.01 -0.04 1.64 1.62 2kw5A15 LEU 109 HD13 0.04 0.01 0.03 -0.04 0.93 0.97 2kw5A15 LEU 109 HD23 0.04 0.01 -0.07 -0.04 0.89 0.82 2kw5A15 ARG 110 H 0.06 0.42 -0.37 -0.55 8.46 8.02 2kw5A15 ARG 110 HA 0.28 0.04 0.51 -0.75 4.34 4.41 2kw5A15 ARG 110 HB2 -0.04 0.19 -0.30 -0.04 1.90 1.71 2kw5A15 ARG 110 HB3 -0.03 -0.06 -0.18 -0.04 1.80 1.49 2kw5A15 ARG 110 HG2 -0.23 0.02 -0.20 -0.04 1.67 1.22 2kw5A15 ARG 110 HG3 -0.91 -0.06 -0.01 -0.04 1.67 0.66 2kw5A15 ARG 110 HD2 -0.31 -0.02 -0.05 -0.04 3.22 2.80 2kw5A15 ARG 110 HD3 -0.24 0.12 -0.02 -0.04 3.22 3.05 2kw5A15 GLN 111 H 0.04 0.45 -0.06 -0.55 8.47 8.34 2kw5A15 GLN 111 HA 0.05 0.03 0.49 -0.75 4.36 4.18 2kw5A15 GLN 111 HB2 0.02 -0.04 0.14 -0.04 2.15 2.24 2kw5A15 GLN 111 HB3 0.03 0.17 0.16 -0.04 2.02 2.34 2kw5A15 GLN 111 HG2 0.02 -0.03 -0.01 -0.04 2.40 2.34 2kw5A15 GLN 111 HG3 0.03 0.04 -0.22 -0.04 2.39 2.20 2kw5A15 GLN 111 HE21 0.02 -0.01 -0.01 -0.04 6.97 6.93 2kw5A15 GLN 111 HE22 0.01 -0.00 0.00 -0.04 7.69 7.66 2kw5A15 GLN 112 H 0.08 0.02 -0.72 -0.55 8.47 7.31 2kw5A15 GLN 112 HA 0.05 0.11 0.35 -0.75 4.36 4.11 2kw5A15 GLN 112 HB2 0.05 0.07 0.05 -0.04 2.15 2.28 2kw5A15 GLN 112 HB3 0.07 -0.02 0.09 -0.04 2.02 2.12 2kw5A15 GLN 112 HG2 0.04 -0.20 -0.33 -0.04 2.40 1.87 2kw5A15 GLN 112 HG3 0.04 0.05 -0.35 -0.04 2.39 2.09 2kw5A15 GLN 112 HE21 0.03 0.22 -0.02 -0.04 6.97 7.16 2kw5A15 GLN 112 HE22 0.04 -0.00 -0.05 -0.04 7.69 7.63 2kw5A15 LEU 113 H 0.17 0.26 -0.20 -0.55 8.37 8.05 2kw5A15 LEU 113 HA 0.04 0.13 0.44 -0.75 4.35 4.20 2kw5A15 LEU 113 HB2 0.06 -0.03 0.05 -0.04 1.64 1.68 2kw5A15 LEU 113 HB3 0.18 -0.01 0.16 -0.04 1.64 1.93 2kw5A15 LEU 113 HG -0.17 -0.00 -0.26 -0.04 1.64 1.16 2kw5A15 LEU 113 HD13 -0.04 0.00 -0.06 -0.04 0.93 0.79 2kw5A15 LEU 113 HD23 -0.13 -0.02 -0.07 -0.04 0.89 0.63 2kw5A15 TYR 114 H 0.42 0.58 0.11 -0.55 8.29 8.86 2kw5A15 TYR 114 HA 0.04 0.02 0.05 -0.75 4.56 3.91 2kw5A15 TYR 114 HB2 0.07 0.13 0.09 -0.04 3.06 3.31 2kw5A15 TYR 114 HB3 0.09 0.01 -0.02 -0.04 2.98 3.01 2kw5A15 TYR 114 HD2 0.20 0.05 0.08 -0.04 7.15 7.44 2kw5A15 TYR 114 HE2 0.17 -0.02 -0.05 -0.04 6.85 6.92 2kw5A15 PRO 115 HA 0.07 0.11 0.60 -0.51 4.44 4.71 2kw5A15 PRO 115 HB2 0.06 0.12 -0.04 -0.04 2.28 2.38 2kw5A15 PRO 115 HB3 0.03 0.00 0.10 -0.04 2.02 2.11 2kw5A15 PRO 115 HG2 0.05 0.15 0.10 -0.04 2.03 2.30 2kw5A15 PRO 115 HG3 0.05 -0.02 0.05 -0.04 2.03 2.07 2kw5A15 PRO 115 HD2 0.13 0.16 -0.26 -0.04 3.68 3.67 2kw5A15 PRO 115 HD3 0.16 0.07 0.10 -0.04 3.65 3.94 2kw5A15 LYS 116 H 0.07 0.21 -0.62 -0.55 8.42 7.53 2kw5A15 LYS 116 HA 0.04 0.04 0.46 -0.75 4.32 4.10 2kw5A15 LYS 116 HB2 0.03 0.09 0.11 -0.04 1.87 2.06 2kw5A15 LYS 116 HB3 0.02 0.20 0.22 -0.04 1.79 2.19 2kw5A15 LYS 116 HG2 0.00 -0.05 0.05 -0.04 1.46 1.41 2kw5A15 LYS 116 HG3 -0.00 -0.05 -0.06 -0.04 1.46 1.30 2kw5A15 LYS 116 HD2 0.01 0.02 0.08 -0.04 1.69 1.76 2kw5A15 LYS 116 HD3 0.02 -0.04 0.11 -0.04 1.68 1.73 2kw5A15 LYS 116 HE2 0.03 -0.03 0.01 -0.04 2.99 2.96 2kw5A15 LYS 116 HE3 0.03 0.06 0.03 -0.04 2.99 3.06 2kw5A15 VAL 117 H -0.02 0.27 -0.18 -0.55 8.24 7.76 2kw5A15 VAL 117 HA -0.10 0.02 0.48 -0.75 4.13 3.77 2kw5A15 VAL 117 HB -0.30 0.18 0.04 -0.04 2.12 1.99 2kw5A15 VAL 117 HG13 -0.71 -0.02 -0.11 -0.04 0.97 0.09 2kw5A15 VAL 117 HG23 -0.22 0.05 -0.14 -0.04 0.95 0.60 2kw5A15 TYR 118 H 0.07 0.26 -0.30 -0.55 8.29 7.77 2kw5A15 TYR 118 HA -0.10 -0.00 0.38 -0.75 4.56 4.08 2kw5A15 TYR 118 HB2 -0.02 0.10 0.22 -0.04 3.06 3.31 2kw5A15 TYR 118 HB3 -0.02 0.10 0.22 -0.04 2.98 3.23 2kw5A15 TYR 118 HD2 -0.02 -0.00 0.05 -0.04 7.15 7.14 2kw5A15 TYR 118 HE2 -0.01 -0.08 -0.04 -0.04 6.85 6.68 2kw5A15 GLN 119 H 0.10 0.25 -0.04 -0.55 8.47 8.23 2kw5A15 GLN 119 HA -0.18 0.11 0.54 -0.75 4.36 4.08 2kw5A15 GLN 119 HB2 0.03 0.02 0.08 -0.04 2.15 2.23 2kw5A15 GLN 119 HB3 -0.02 -0.02 0.04 -0.04 2.02 1.99 2kw5A15 GLN 119 HG2 0.07 0.01 -0.01 -0.04 2.40 2.42 2kw5A15 GLN 119 HG3 0.23 0.02 0.05 -0.04 2.39 2.64 2kw5A15 GLN 119 HE21 0.03 0.01 0.01 -0.04 6.97 6.99 2kw5A15 GLN 119 HE22 0.04 -0.04 0.00 -0.04 7.69 7.65 2kw5A15 GLY 120 H -0.03 0.24 -0.27 -0.55 8.43 7.82 2kw5A15 GLY 120 HA2 -0.03 -0.03 0.27 -0.51 4.01 3.71 2kw5A15 GLY 120 HA3 -0.01 0.11 0.32 -0.51 4.01 3.92 2kw5A15 LEU 121 H -0.09 0.32 -0.25 -0.55 8.37 7.80 2kw5A15 LEU 121 HA -0.00 -0.12 0.47 -0.75 4.35 3.95 2kw5A15 LEU 121 HB2 -0.16 -0.09 0.08 -0.04 1.64 1.43 2kw5A15 LEU 121 HB3 -0.17 0.18 0.05 -0.04 1.64 1.66 2kw5A15 LEU 121 HG -0.13 0.05 -0.45 -0.04 1.64 1.08 2kw5A15 LEU 121 HD13 -0.08 -0.02 -0.08 -0.04 0.93 0.70 2kw5A15 LEU 121 HD23 -0.24 -0.02 -0.16 -0.04 0.89 0.43 2kw5A15 LYS 122 H 0.04 0.05 0.15 -0.55 8.42 8.10 2kw5A15 LYS 122 HA -0.13 0.23 0.78 -0.75 4.32 4.45 2kw5A15 LYS 122 HB2 -0.13 0.08 0.05 -0.04 1.87 1.82 2kw5A15 LYS 122 HB3 -0.09 -0.01 0.05 -0.04 1.79 1.70 2kw5A15 LYS 122 HG2 0.07 0.11 0.02 -0.04 1.46 1.62 2kw5A15 LYS 122 HG3 0.19 -0.19 0.03 -0.04 1.46 1.45 2kw5A15 LYS 122 HD2 0.18 0.13 -0.14 -0.04 1.69 1.83 2kw5A15 LYS 122 HD3 0.00 -0.27 -0.75 -0.04 1.68 0.62 2kw5A15 LYS 122 HE2 0.02 -0.04 -0.15 -0.04 2.99 2.78 2kw5A15 LYS 122 HE3 -0.12 -0.00 -0.11 -0.04 2.99 2.72 2kw5A15 PRO 123 HA -0.13 -0.04 0.60 -0.51 4.44 4.36 2kw5A15 PRO 123 HB2 -0.58 0.08 0.14 -0.04 2.28 1.88 2kw5A15 PRO 123 HB3 -0.12 -0.04 0.16 -0.04 2.02 1.98 2kw5A15 PRO 123 HG2 -0.38 0.02 0.10 -0.04 2.03 1.73 2kw5A15 PRO 123 HG3 -0.17 0.04 0.08 -0.04 2.03 1.94 2kw5A15 PRO 123 HD2 -0.43 0.11 0.20 -0.04 3.68 3.52 2kw5A15 PRO 123 HD3 -0.21 0.22 0.18 -0.04 3.65 3.79 2kw5A15 GLY 124 H -0.06 0.10 0.35 -0.55 8.43 8.27 2kw5A15 GLY 124 HA2 -0.02 0.04 0.35 -0.51 4.01 3.86 2kw5A15 GLY 124 HA3 -0.00 0.20 0.71 -0.51 4.01 4.41 2kw5A15 GLY 125 H -0.04 0.33 0.26 -0.55 8.43 8.43 2kw5A15 GLY 125 HA2 -0.04 0.23 1.05 -0.51 4.01 4.74 2kw5A15 GLY 125 HA3 -0.02 0.01 0.36 -0.51 4.01 3.85 2kw5A15 VAL 126 H -0.04 0.58 0.13 -0.55 8.24 8.37 2kw5A15 VAL 126 HA -0.01 0.45 0.90 -0.75 4.13 4.72 2kw5A15 VAL 126 HB 0.03 -0.08 0.01 -0.04 2.12 2.04 2kw5A15 VAL 126 HG13 -0.02 0.04 -0.10 -0.04 0.97 0.85 2kw5A15 VAL 126 HG23 -0.03 -0.01 0.06 -0.04 0.95 0.93 2kw5A15 PHE 127 H 0.09 0.28 0.14 -0.55 8.34 8.28 2kw5A15 PHE 127 HA -0.02 0.11 0.86 -0.75 4.62 4.82 2kw5A15 PHE 127 HB2 -0.15 0.08 -0.07 -0.04 3.15 2.97 2kw5A15 PHE 127 HB3 -0.06 -0.04 0.09 -0.04 3.06 3.01 2kw5A15 PHE 127 HD2 0.26 -0.01 -0.12 -0.04 7.28 7.36 2kw5A15 PHE 127 HE2 0.04 -0.03 -0.11 -0.04 7.38 7.24 2kw5A15 PHE 127 HZ -0.64 -0.05 -0.11 -0.04 7.32 6.47 2kw5A15 ILE 128 H -0.24 0.61 0.17 -0.55 8.25 8.24 2kw5A15 ILE 128 HA 0.14 0.39 0.80 -0.75 4.18 4.75 2kw5A15 ILE 128 HB -0.26 -0.06 0.13 -0.04 1.89 1.66 2kw5A15 ILE 128 HG12 0.15 0.06 -0.15 -0.04 1.49 1.51 2kw5A15 ILE 128 HG13 -0.00 -0.01 -0.37 -0.04 1.21 0.79 2kw5A15 ILE 128 HG23 -0.17 -0.02 -0.06 -0.04 0.93 0.64 2kw5A15 ILE 128 HD13 -0.04 -0.01 -0.10 -0.04 0.88 0.69 2kw5A15 LEU 129 H 0.09 0.43 0.28 -0.55 8.37 8.63 2kw5A15 LEU 129 HA 0.15 0.02 0.93 -0.75 4.35 4.70 2kw5A15 LEU 129 HB2 0.02 -0.02 0.01 -0.04 1.64 1.60 2kw5A15 LEU 129 HB3 0.03 0.05 -0.05 -0.04 1.64 1.63 2kw5A15 LEU 129 HG -0.19 -0.03 -0.42 -0.04 1.64 0.96 2kw5A15 LEU 129 HD13 0.36 0.00 -0.11 -0.04 0.93 1.14 2kw5A15 LEU 129 HD23 -0.20 0.13 -0.05 -0.04 0.89 0.73 2kw5A15 GLU 130 H 0.10 0.14 0.16 -0.55 8.60 8.45 2kw5A15 GLU 130 HA -0.31 0.34 1.17 -0.75 4.29 4.74 2kw5A15 GLU 130 HB2 -0.92 -0.07 0.13 -0.04 2.09 1.19 2kw5A15 GLU 130 HB3 -0.91 -0.06 0.27 -0.04 1.99 1.24 2kw5A15 GLU 130 HG2 -0.65 0.12 -0.04 -0.04 2.34 1.73 2kw5A15 GLU 130 HG3 -0.45 0.02 0.04 -0.04 2.34 1.92 2kw5A15 GLY 131 H -0.27 0.25 0.04 -0.55 8.43 7.90 2kw5A15 GLY 131 HA2 -0.35 0.09 0.73 -0.51 4.01 3.96 2kw5A15 GLY 131 HA3 -0.21 0.43 0.41 -0.51 4.01 4.13 2kw5A15 PHE 132 H -0.05 0.23 0.06 -0.55 8.34 8.03 2kw5A15 PHE 132 HA -0.07 0.19 0.90 -0.75 4.62 4.89 2kw5A15 PHE 132 HB2 -0.09 -0.06 0.01 -0.04 3.15 2.98 2kw5A15 PHE 132 HB3 -0.07 -0.02 0.13 -0.04 3.06 3.06 2kw5A15 PHE 132 HD2 -0.10 -0.02 0.01 -0.04 7.28 7.13 2kw5A15 PHE 132 HE2 -0.13 0.01 -0.02 -0.04 7.38 7.20 2kw5A15 PHE 132 HZ -0.10 -0.02 -0.02 -0.04 7.32 7.14 2kw5A15 ALA 133 H 0.10 0.36 0.27 -0.55 8.40 8.58 2kw5A15 ALA 133 HA -0.01 0.19 0.71 -0.75 4.34 4.49 2kw5A15 ALA 133 HB3 -0.00 0.01 0.12 -0.04 1.41 1.49 2kw5A15 PRO 134 HA -0.06 0.06 0.40 -0.51 4.44 4.33 2kw5A15 PRO 134 HB2 -0.05 0.07 0.04 -0.04 2.28 2.29 2kw5A15 PRO 134 HB3 -0.04 0.07 0.14 -0.04 2.02 2.14 2kw5A15 PRO 134 HG2 -0.04 0.03 0.06 -0.04 2.03 2.03 2kw5A15 PRO 134 HG3 -0.03 0.10 0.09 -0.04 2.03 2.14 2kw5A15 PRO 134 HD2 -0.03 0.08 0.25 -0.04 3.68 3.94 2kw5A15 PRO 134 HD3 -0.03 0.19 0.20 -0.04 3.65 3.98 2kw5A15 GLU 135 H -0.10 0.08 -0.46 -0.55 8.60 7.57 2kw5A15 GLU 135 HA -0.27 0.16 0.60 -0.75 4.29 4.03 2kw5A15 GLU 135 HB2 -0.41 0.10 0.10 -0.04 2.09 1.83 2kw5A15 GLU 135 HB3 -0.12 0.03 0.06 -0.04 1.99 1.92 2kw5A15 GLU 135 HG2 -0.06 -0.09 0.02 -0.04 2.34 2.16 2kw5A15 GLU 135 HG3 -0.11 0.04 -0.08 -0.04 2.34 2.15 2kw5A15 GLN 136 H -0.17 0.46 -0.21 -0.55 8.47 8.00 2kw5A15 GLN 136 HA -0.15 0.13 0.20 -0.75 4.36 3.79 2kw5A15 GLN 136 HB2 0.01 -0.00 0.17 -0.04 2.15 2.30 2kw5A15 GLN 136 HB3 -0.11 -0.03 0.14 -0.04 2.02 1.98 2kw5A15 GLN 136 HG2 -0.58 0.03 -0.04 -0.04 2.40 1.77 2kw5A15 GLN 136 HG3 -0.29 -0.05 -0.27 -0.04 2.39 1.74 2kw5A15 GLN 136 HE21 0.16 -0.04 0.02 -0.04 6.97 7.07 2kw5A15 GLN 136 HE22 0.18 0.04 -0.05 -0.04 7.69 7.82 2kw5A15 LEU 137 H -0.15 0.19 0.00 -0.55 8.37 7.86 2kw5A15 LEU 137 HA -0.11 0.01 0.52 -0.75 4.35 4.01 2kw5A15 LEU 137 HB2 -0.09 0.06 -0.00 -0.04 1.64 1.56 2kw5A15 LEU 137 HB3 -0.09 0.03 0.08 -0.04 1.64 1.62 2kw5A15 LEU 137 HG -0.13 0.03 -0.04 -0.04 1.64 1.47 2kw5A15 LEU 137 HD13 -0.09 0.01 -0.36 -0.04 0.93 0.45 2kw5A15 LEU 137 HD23 -0.22 -0.06 -0.14 -0.04 0.89 0.43 2kw5A15 GLN 138 H -0.19 0.07 -0.57 -0.55 8.47 7.23 2kw5A15 GLN 138 HA -0.06 0.09 0.55 -0.75 4.36 4.18 2kw5A15 GLN 138 HB2 -0.13 0.03 0.10 -0.04 2.15 2.11 2kw5A15 GLN 138 HB3 -0.31 0.22 0.04 -0.04 2.02 1.93 2kw5A15 GLN 138 HG2 -0.00 0.03 -0.01 -0.04 2.40 2.38 2kw5A15 GLN 138 HG3 -0.03 -0.02 0.09 -0.04 2.39 2.39 2kw5A15 GLN 138 HE21 0.01 0.06 -0.00 -0.04 6.97 7.00 2kw5A15 GLN 138 HE22 -0.01 -0.04 0.01 -0.04 7.69 7.61 2kw5A15 TYR 139 H -0.16 0.27 -0.40 -0.55 8.29 7.45 2kw5A15 TYR 139 HA -0.04 0.10 0.49 -0.75 4.56 4.35 2kw5A15 TYR 139 HB2 -0.05 0.15 0.15 -0.04 3.06 3.27 2kw5A15 TYR 139 HB3 -0.04 -0.01 0.14 -0.04 2.98 3.02 2kw5A15 TYR 139 HD2 0.01 -0.04 -0.02 -0.04 7.15 7.05 2kw5A15 TYR 139 HE2 0.16 -0.16 0.05 -0.04 6.85 6.87 2kw5A15 ASN 140 H 0.01 0.19 -0.80 -0.55 8.53 7.38 2kw5A15 ASN 140 HA -0.02 0.03 0.24 -0.75 4.76 4.26 2kw5A15 ASN 140 HB2 -0.00 0.01 -0.13 -0.04 2.88 2.71 2kw5A15 ASN 140 HB3 -0.00 0.18 -0.01 -0.04 2.79 2.91 2kw5A15 ASN 140 HD21 -0.01 -0.00 0.02 -0.04 7.03 7.00 2kw5A15 ASN 140 HD22 -0.02 -0.01 0.01 -0.04 7.74 7.68 2kw5A15 THR 141 H -0.01 0.05 -0.23 -0.55 8.28 7.53 2kw5A15 THR 141 HA -0.04 0.18 0.45 -0.75 4.39 4.23 2kw5A15 THR 141 HB -0.11 0.01 -0.09 -0.04 4.32 4.09 2kw5A15 THR 141 HG23 0.02 0.01 -0.09 -0.04 1.22 1.11 2kw5A15 GLY 142 H -0.06 -0.03 -0.11 -0.55 8.43 7.68 2kw5A15 GLY 142 HA2 -0.05 -0.01 0.25 -0.51 4.01 3.69 2kw5A15 GLY 142 HA3 -0.04 0.14 0.33 -0.51 4.01 3.92 2kw5A15 GLY 143 H -0.11 -0.12 -0.12 -0.55 8.43 7.53 2kw5A15 GLY 143 HA2 -0.14 0.16 0.27 -0.51 4.01 3.79 2kw5A15 GLY 143 HA3 -0.18 -0.08 0.17 -0.51 4.01 3.41 2kw5A15 PRO 144 HA 0.01 0.11 0.18 -0.51 4.44 4.23 2kw5A15 PRO 144 HB2 0.03 -0.07 0.05 -0.04 2.28 2.25 2kw5A15 PRO 144 HB3 0.11 0.06 0.10 -0.04 2.02 2.25 2kw5A15 PRO 144 HG2 -0.25 0.11 0.07 -0.04 2.03 1.92 2kw5A15 PRO 144 HG3 0.01 0.07 0.09 -0.04 2.03 2.15 2kw5A15 PRO 144 HD2 -0.16 0.02 0.02 -0.04 3.68 3.52 2kw5A15 PRO 144 HD3 -0.21 0.12 0.14 -0.04 3.65 3.66 2kw5A15 LYS 145 H -0.04 -0.07 -0.35 -0.55 8.42 7.40 2kw5A15 LYS 145 HA -0.01 0.19 0.51 -0.75 4.32 4.25 2kw5A15 LYS 145 HB2 0.01 0.18 -0.05 -0.04 1.87 1.96 2kw5A15 LYS 145 HB3 -0.00 -0.13 -0.00 -0.04 1.79 1.62 2kw5A15 LYS 145 HG2 0.00 -0.04 -0.01 -0.04 1.46 1.37 2kw5A15 LYS 145 HG3 -0.01 -0.07 -0.18 -0.04 1.46 1.16 2kw5A15 LYS 145 HD2 -0.01 -0.03 0.00 -0.04 1.69 1.62 2kw5A15 LYS 145 HD3 -0.01 0.02 0.08 -0.04 1.68 1.74 2kw5A15 LYS 145 HE2 0.00 0.15 0.14 -0.04 2.99 3.24 2kw5A15 LYS 145 HE3 0.00 -0.05 0.04 -0.04 2.99 2.94 2kw5A15 ASP 146 H -0.03 0.18 0.13 -0.55 8.40 8.13 2kw5A15 ASP 146 HA -0.04 0.21 0.71 -0.75 4.63 4.75 2kw5A15 ASP 146 HB2 -0.02 0.22 -0.27 -0.04 2.71 2.60 2kw5A15 ASP 146 HB3 -0.02 -0.03 -0.04 -0.04 2.70 2.57 2kw5A15 LEU 147 H -0.05 0.28 0.13 -0.55 8.37 8.18 2kw5A15 LEU 147 HA -0.06 0.07 0.39 -0.75 4.35 4.00 2kw5A15 LEU 147 HB2 -0.04 0.06 0.04 -0.04 1.64 1.66 2kw5A15 LEU 147 HB3 -0.05 0.03 0.12 -0.04 1.64 1.71 2kw5A15 LEU 147 HG -0.07 -0.08 0.08 -0.04 1.64 1.53 2kw5A15 LEU 147 HD13 -0.05 0.03 0.04 -0.04 0.93 0.92 2kw5A15 LEU 147 HD23 -0.09 -0.02 0.07 -0.04 0.89 0.82 2kw5A15 ASP 148 H -0.03 -0.03 -0.68 -0.55 8.40 7.11 2kw5A15 ASP 148 HA -0.02 0.14 0.52 -0.75 4.63 4.51 2kw5A15 ASP 148 HB2 -0.02 0.03 0.04 -0.04 2.71 2.72 2kw5A15 ASP 148 HB3 -0.02 -0.06 -0.01 -0.04 2.70 2.57 2kw5A15 LEU 149 H -0.02 0.42 -0.15 -0.55 8.37 8.07 2kw5A15 LEU 149 HA 0.02 0.16 0.43 -0.75 4.35 4.20 2kw5A15 LEU 149 HB2 -0.03 0.00 0.06 -0.04 1.64 1.63 2kw5A15 LEU 149 HB3 0.06 0.06 0.07 -0.04 1.64 1.78 2kw5A15 LEU 149 HG 0.00 -0.10 -0.02 -0.04 1.64 1.48 2kw5A15 LEU 149 HD13 0.04 -0.02 -0.07 -0.04 0.93 0.84 2kw5A15 LEU 149 HD23 0.04 0.01 -0.26 -0.04 0.89 0.63 2kw5A15 LEU 150 H -0.01 0.16 -0.80 -0.55 8.37 7.17 2kw5A15 LEU 150 HA 0.11 0.16 0.81 -0.75 4.35 4.68 2kw5A15 LEU 150 HB2 0.01 0.13 0.10 -0.04 1.64 1.85 2kw5A15 LEU 150 HB3 0.11 0.05 -0.04 -0.04 1.64 1.72 2kw5A15 LEU 150 HG -0.04 -0.14 -0.00 -0.04 1.64 1.42 2kw5A15 LEU 150 HD13 -0.03 -0.05 -0.13 -0.04 0.93 0.68 2kw5A15 LEU 150 HD23 -0.08 0.01 -0.16 -0.04 0.89 0.62 2kw5A15 PRO 151 HA 0.01 0.06 0.38 -0.51 4.44 4.38 2kw5A15 PRO 151 HB2 0.01 -0.08 0.07 -0.04 2.28 2.25 2kw5A15 PRO 151 HB3 0.10 0.06 0.07 -0.04 2.02 2.21 2kw5A15 PRO 151 HG2 0.13 0.05 0.03 -0.04 2.03 2.20 2kw5A15 PRO 151 HG3 0.17 0.06 0.10 -0.04 2.03 2.32 2kw5A15 PRO 151 HD2 0.00 -0.07 0.26 -0.04 3.68 3.83 2kw5A15 PRO 151 HD3 0.08 0.44 0.30 -0.04 3.65 4.44 2kw5A15 LYS 152 H -0.02 0.17 0.27 -0.55 8.42 8.28 2kw5A15 LYS 152 HA -0.07 0.17 0.61 -0.75 4.32 4.28 2kw5A15 LYS 152 HB2 -0.04 -0.11 0.08 -0.04 1.87 1.76 2kw5A15 LYS 152 HB3 -0.03 0.22 0.05 -0.04 1.79 1.99 2kw5A15 LYS 152 HG2 -0.03 0.10 0.19 -0.04 1.46 1.68 2kw5A15 LYS 152 HG3 -0.03 -0.33 -0.03 -0.04 1.46 1.03 2kw5A15 LYS 152 HD2 -0.02 0.03 0.04 -0.04 1.69 1.69 2kw5A15 LYS 152 HD3 -0.03 -0.04 0.04 -0.04 1.68 1.61 2kw5A15 LYS 152 HE2 -0.02 0.00 0.07 -0.04 2.99 3.00 2kw5A15 LYS 152 HE3 -0.02 0.16 0.11 -0.04 2.99 3.19 2kw5A15 LEU 153 H -0.09 0.19 0.07 -0.55 8.37 8.00 2kw5A15 LEU 153 HA -0.21 0.09 0.26 -0.75 4.35 3.74 2kw5A15 LEU 153 HB2 -0.09 -0.02 -0.01 -0.04 1.64 1.47 2kw5A15 LEU 153 HB3 -0.16 0.11 -0.05 -0.04 1.64 1.50 2kw5A15 LEU 153 HG -0.12 -0.05 -0.06 -0.04 1.64 1.38 2kw5A15 LEU 153 HD13 -0.10 0.03 -0.26 -0.04 0.93 0.56 2kw5A15 LEU 153 HD23 -0.23 0.01 -0.18 -0.04 0.89 0.46 2kw5A15 GLU 154 H -0.06 0.04 -0.18 -0.55 8.60 7.85 2kw5A15 GLU 154 HA -0.03 0.12 0.30 -0.75 4.29 3.92 2kw5A15 GLU 154 HB2 -0.03 -0.02 0.03 -0.04 2.09 2.04 2kw5A15 GLU 154 HB3 -0.02 0.09 0.02 -0.04 1.99 2.04 2kw5A15 GLU 154 HG2 -0.04 -0.12 0.04 -0.04 2.34 2.18 2kw5A15 GLU 154 HG3 -0.03 0.06 0.02 -0.04 2.34 2.35 2kw5A15 THR 155 H -0.03 0.06 -0.38 -0.55 8.28 7.38 2kw5A15 THR 155 HA 0.00 0.13 0.25 -0.75 4.39 4.02 2kw5A15 THR 155 HB -0.00 0.05 0.02 -0.04 4.32 4.35 2kw5A15 THR 155 HG23 -0.02 -0.00 0.01 -0.04 1.22 1.17 2kw5A15 LEU 156 H -0.01 0.40 0.00 -0.55 8.37 8.22 2kw5A15 LEU 156 HA 0.18 0.04 0.04 -0.75 4.35 3.86 2kw5A15 LEU 156 HB2 -0.10 -0.02 -0.01 -0.04 1.64 1.47 2kw5A15 LEU 156 HB3 0.21 0.04 -0.09 -0.04 1.64 1.76 2kw5A15 LEU 156 HG 0.04 -0.01 0.05 -0.04 1.64 1.68 2kw5A15 LEU 156 HD13 0.04 -0.02 -0.28 -0.04 0.93 0.62 2kw5A15 LEU 156 HD23 0.27 0.00 -0.06 -0.04 0.89 1.07 2kw5A15 GLN 157 H -0.11 0.28 -0.05 -0.55 8.47 8.05 2kw5A15 GLN 157 HA 0.37 0.13 0.45 -0.75 4.36 4.55 2kw5A15 GLN 157 HB2 -0.42 -0.12 0.10 -0.04 2.15 1.68 2kw5A15 GLN 157 HB3 -0.08 0.14 0.03 -0.04 2.02 2.08 2kw5A15 GLN 157 HG2 0.11 0.03 -0.09 -0.04 2.40 2.40 2kw5A15 GLN 157 HG3 0.04 0.02 0.07 -0.04 2.39 2.48 2kw5A15 GLN 157 HE21 0.09 0.02 -0.02 -0.04 6.97 7.02 2kw5A15 GLN 157 HE22 0.02 -0.01 -0.01 -0.04 7.69 7.65 2kw5A15 SER 158 H 0.05 0.28 -0.33 -0.55 8.46 7.91 2kw5A15 SER 158 HA 0.08 0.06 0.56 -0.75 4.49 4.44 2kw5A15 SER 158 HB2 0.03 -0.00 0.14 -0.04 3.95 4.07 2kw5A15 SER 158 HB3 0.03 0.11 0.16 -0.04 3.93 4.19 2kw5A15 GLU 159 H 0.13 0.25 -0.28 -0.55 8.60 8.14 2kw5A15 GLU 159 HA 0.00 0.06 0.52 -0.75 4.29 4.12 2kw5A15 GLU 159 HB2 0.15 -0.01 -0.06 -0.04 2.09 2.13 2kw5A15 GLU 159 HB3 0.09 -0.05 -0.01 -0.04 1.99 1.98 2kw5A15 GLU 159 HG2 0.04 0.19 -0.11 -0.04 2.34 2.41 2kw5A15 GLU 159 HG3 0.04 -0.13 -0.14 -0.04 2.34 2.07 2kw5A15 LEU 160 H 0.26 0.19 -0.58 -0.55 8.37 7.69 2kw5A15 LEU 160 HA 0.28 0.10 0.72 -0.75 4.35 4.69 2kw5A15 LEU 160 HB2 0.51 0.08 0.11 -0.04 1.64 2.31 2kw5A15 LEU 160 HB3 -0.11 -0.09 0.13 -0.04 1.64 1.53 2kw5A15 LEU 160 HG 0.19 -0.03 -0.38 -0.04 1.64 1.37 2kw5A15 LEU 160 HD13 -0.21 -0.03 -0.10 -0.04 0.93 0.55 2kw5A15 LEU 160 HD23 0.03 0.08 -0.05 -0.04 0.89 0.90 2kw5A15 PRO 161 HA 0.16 0.17 0.55 -0.51 4.44 4.81 2kw5A15 PRO 161 HB2 0.10 -0.02 0.08 -0.04 2.28 2.39 2kw5A15 PRO 161 HB3 0.12 0.06 0.09 -0.04 2.02 2.25 2kw5A15 PRO 161 HG2 0.17 -0.01 -0.09 -0.04 2.03 2.07 2kw5A15 PRO 161 HG3 0.07 0.09 0.01 -0.04 2.03 2.16 2kw5A15 PRO 161 HD2 0.30 0.08 -0.09 -0.04 3.68 3.93 2kw5A15 PRO 161 HD3 0.11 0.23 -0.46 -0.04 3.65 3.49 2kw5A15 SER 162 H 0.14 0.02 -0.44 -0.55 8.46 7.63 2kw5A15 SER 162 HA -0.03 0.12 0.65 -0.75 4.49 4.47 2kw5A15 SER 162 HB2 -0.26 -0.02 0.03 -0.04 3.95 3.66 2kw5A15 SER 162 HB3 -0.27 0.03 0.04 -0.04 3.93 3.69 2kw5A15 LEU 163 H -0.13 0.03 -0.36 -0.55 8.37 7.37 2kw5A15 LEU 163 HA -0.25 0.18 0.63 -0.75 4.35 4.15 2kw5A15 LEU 163 HB2 -0.35 0.04 -0.05 -0.04 1.64 1.23 2kw5A15 LEU 163 HB3 -0.58 0.02 0.13 -0.04 1.64 1.17 2kw5A15 LEU 163 HG -1.07 -0.10 -0.08 -0.04 1.64 0.36 2kw5A15 LEU 163 HD13 -0.27 0.08 -0.30 -0.04 0.93 0.39 2kw5A15 LEU 163 HD23 -0.53 -0.04 -0.08 -0.04 0.89 0.20 2kw5A15 ASN 164 H -0.12 0.27 -0.10 -0.55 8.53 8.03 2kw5A15 ASN 164 HA 0.04 0.04 0.60 -0.75 4.76 4.69 2kw5A15 ASN 164 HB2 0.02 0.04 0.06 -0.04 2.88 2.95 2kw5A15 ASN 164 HB3 -0.01 -0.01 0.08 -0.04 2.79 2.81 2kw5A15 ASN 164 HD21 0.05 -0.05 -0.39 -0.04 7.03 6.60 2kw5A15 ASN 164 HD22 0.08 0.02 -0.15 -0.04 7.74 7.65 2kw5A15 TRP 165 H 0.38 0.12 0.18 -0.55 7.97 8.10 2kw5A15 TRP 165 HA 0.06 -0.07 0.65 -0.75 4.62 4.51 2kw5A15 TRP 165 HB2 0.06 -0.05 -0.08 -0.04 3.23 3.13 2kw5A15 TRP 165 HB3 0.08 0.03 -0.07 -0.04 3.23 3.23 2kw5A15 TRP 165 HD1 0.05 -0.07 0.17 -0.04 7.22 7.32 2kw5A15 TRP 165 HE1 0.06 0.14 0.12 -0.04 10.20 10.49 2kw5A15 TRP 165 HE3 0.13 -0.14 -0.36 -0.04 7.59 7.18 2kw5A15 TRP 165 HZ2 0.11 0.15 -0.18 -0.04 7.44 7.48 2kw5A15 TRP 165 HZ3 0.29 0.08 -0.11 -0.04 7.13 7.35 2kw5A15 TRP 165 HH2 0.45 -0.05 -0.13 -0.04 7.19 7.42 2kw5A15 LEU 166 H 0.20 0.36 0.29 -0.55 8.37 8.68 2kw5A15 LEU 166 HA 0.11 0.10 0.61 -0.75 4.35 4.41 2kw5A15 LEU 166 HB2 0.12 -0.03 0.10 -0.04 1.64 1.79 2kw5A15 LEU 166 HB3 0.08 -0.03 0.00 -0.04 1.64 1.65 2kw5A15 LEU 166 HG 0.07 0.00 -0.01 -0.04 1.64 1.65 2kw5A15 LEU 166 HD13 0.02 -0.00 -0.07 -0.04 0.93 0.84 2kw5A15 LEU 166 HD23 0.05 0.01 -0.03 -0.04 0.89 0.88 2kw5A15 ILE 167 H 0.27 0.33 0.07 -0.55 8.25 8.37 2kw5A15 ILE 167 HA 0.12 0.16 0.74 -0.75 4.18 4.44 2kw5A15 ILE 167 HB 0.30 -0.08 0.02 -0.04 1.89 2.09 2kw5A15 ILE 167 HG12 0.12 0.09 -0.17 -0.04 1.49 1.48 2kw5A15 ILE 167 HG13 0.13 -0.05 -0.28 -0.04 1.21 0.96 2kw5A15 ILE 167 HG23 0.19 0.03 -0.18 -0.04 0.93 0.93 2kw5A15 ILE 167 HD13 0.13 -0.00 -0.09 -0.04 0.88 0.87 2kw5A15 ALA 168 H 0.06 0.22 -0.04 -0.55 8.40 8.09 2kw5A15 ALA 168 HA -0.11 0.21 0.60 -0.75 4.34 4.29 2kw5A15 ALA 168 HB3 -0.14 0.02 0.06 -0.04 1.41 1.31 2kw5A15 ASN 169 H -0.05 0.46 0.20 -0.55 8.53 8.60 2kw5A15 ASN 169 HA -0.03 0.14 0.83 -0.75 4.76 4.94 2kw5A15 ASN 169 HB2 0.01 0.05 -0.14 -0.04 2.88 2.76 2kw5A15 ASN 169 HB3 0.01 -0.02 -0.04 -0.04 2.79 2.70 2kw5A15 ASN 169 HD21 0.02 -0.05 -0.10 -0.04 7.03 6.85 2kw5A15 ASN 169 HD22 0.01 0.04 -0.02 -0.04 7.74 7.73 2kw5A15 ASN 170 H -0.03 0.18 0.16 -0.55 8.53 8.29 2kw5A15 ASN 170 HA -0.06 0.15 0.98 -0.75 4.76 5.08 2kw5A15 ASN 170 HB2 -0.03 0.02 0.02 -0.04 2.88 2.86 2kw5A15 ASN 170 HB3 -0.04 -0.06 0.05 -0.04 2.79 2.70 2kw5A15 ASN 170 HD21 -0.01 0.03 0.02 -0.04 7.03 7.03 2kw5A15 ASN 170 HD22 -0.01 -0.04 -0.02 -0.04 7.74 7.63 2kw5A15 LEU 171 H -0.06 0.38 0.20 -0.55 8.37 8.34 2kw5A15 LEU 171 HA -0.01 0.12 0.83 -0.75 4.35 4.54 2kw5A15 LEU 171 HB2 -0.06 -0.04 0.06 -0.04 1.64 1.56 2kw5A15 LEU 171 HB3 -0.02 0.04 -0.02 -0.04 1.64 1.60 2kw5A15 LEU 171 HG -0.04 -0.02 -0.13 -0.04 1.64 1.41 2kw5A15 LEU 171 HD13 -0.01 -0.00 -0.06 -0.04 0.93 0.82 2kw5A15 LEU 171 HD23 0.01 0.04 -0.17 -0.04 0.89 0.73 2kw5A15 GLU 172 H -0.01 0.19 0.07 -0.55 8.60 8.31 2kw5A15 GLU 172 HA 0.01 0.17 0.69 -0.75 4.29 4.40 2kw5A15 GLU 172 HB2 0.00 -0.03 0.03 -0.04 2.09 2.04 2kw5A15 GLU 172 HB3 0.00 0.01 0.12 -0.04 1.99 2.09 2kw5A15 GLU 172 HG2 0.01 0.02 -0.28 -0.04 2.34 2.05 2kw5A15 GLU 172 HG3 0.02 -0.02 -0.11 -0.04 2.34 2.19 2kw5A15 ARG 173 H 0.02 0.57 0.38 -0.55 8.46 8.88 2kw5A15 ARG 173 HA -0.00 0.11 0.66 -0.75 4.34 4.35 2kw5A15 ARG 173 HB2 0.01 0.03 0.02 -0.04 1.90 1.92 2kw5A15 ARG 173 HB3 0.02 -0.06 0.07 -0.04 1.80 1.79 2kw5A15 ARG 173 HG2 -0.01 0.08 -0.36 -0.04 1.67 1.34 2kw5A15 ARG 173 HG3 -0.01 0.00 -0.03 -0.04 1.67 1.59 2kw5A15 ARG 173 HD2 0.01 -0.02 -0.06 -0.04 3.22 3.11 2kw5A15 ARG 173 HD3 0.01 -0.02 -0.11 -0.04 3.22 3.06 2kw5A15 ASN 174 H -0.01 0.16 0.13 -0.55 8.53 8.27 2kw5A15 ASN 174 HA -0.02 0.07 0.72 -0.75 4.76 4.78 2kw5A15 ASN 174 HB2 -0.01 -0.03 0.19 -0.04 2.88 2.98 2kw5A15 ASN 174 HB3 -0.02 0.10 0.07 -0.04 2.79 2.90 2kw5A15 ASN 174 HD21 -0.01 0.03 0.01 -0.04 7.03 7.03 2kw5A15 ASN 174 HD22 -0.00 -0.02 0.00 -0.04 7.74 7.68 2kw5A15 LEU 175 H -0.05 0.30 0.31 -0.55 8.37 8.39 2kw5A15 LEU 175 HA -0.06 0.05 0.67 -0.75 4.35 4.26 2kw5A15 LEU 175 HB2 -0.15 0.03 -0.19 -0.04 1.64 1.30 2kw5A15 LEU 175 HB3 -0.13 -0.02 -0.00 -0.04 1.64 1.45 2kw5A15 LEU 175 HG -0.14 -0.02 -0.47 -0.04 1.64 0.97 2kw5A15 LEU 175 HD13 -0.38 -0.01 -0.10 -0.04 0.93 0.40 2kw5A15 LEU 175 HD23 -0.05 -0.04 -0.26 -0.04 0.89 0.50 2kw5A15 ASP 176 H -0.06 0.12 0.12 -0.55 8.40 8.03 2kw5A15 ASP 176 HA -0.04 0.15 0.83 -0.75 4.63 4.81 2kw5A15 ASP 176 HB2 -0.04 -0.02 0.14 -0.04 2.71 2.74 2kw5A15 ASP 176 HB3 -0.04 0.02 0.04 -0.04 2.70 2.68 2kw5A15 GLU 177 H -0.05 0.30 0.22 -0.55 8.60 8.53 2kw5A15 GLU 177 HA -0.06 0.12 0.42 -0.75 4.29 4.01 2kw5A15 GLU 177 HB2 -0.08 -0.13 0.08 -0.04 2.09 1.92 2kw5A15 GLU 177 HB3 -0.10 0.16 -0.11 -0.04 1.99 1.90 2kw5A15 GLU 177 HG2 -0.03 0.01 -0.19 -0.04 2.34 2.09 2kw5A15 GLU 177 HG3 -0.04 0.06 -0.12 -0.04 2.34 2.20 2kw5A15 GLY 178 H -0.07 0.15 0.02 -0.55 8.43 7.98 2kw5A15 GLY 178 HA2 -0.08 0.20 0.77 -0.51 4.01 4.40 2kw5A15 GLY 178 HA3 -0.07 0.03 0.36 -0.51 4.01 3.83 2kw5A15 ALA 179 H -0.09 0.25 0.02 -0.55 8.40 8.04 2kw5A15 ALA 179 HA -0.26 0.19 0.59 -0.75 4.34 4.11 2kw5A15 ALA 179 HB3 -0.02 0.01 0.03 -0.04 1.41 1.39 2kw5A15 TYR 180 H 0.01 0.16 0.12 -0.55 8.29 8.03 2kw5A15 TYR 180 HA 0.02 0.20 0.66 -0.75 4.56 4.69 2kw5A15 TYR 180 HB2 0.02 -0.01 0.07 -0.04 3.06 3.10 2kw5A15 TYR 180 HB3 0.01 0.03 0.15 -0.04 2.98 3.12 2kw5A15 TYR 180 HD2 0.01 0.01 0.02 -0.04 7.15 7.15 2kw5A15 TYR 180 HE2 0.00 0.02 -0.02 -0.04 6.85 6.81 2kw5A15 HIS 181 H 0.14 -0.06 -0.40 -0.55 8.41 7.54 2kw5A15 HIS 181 HA 0.05 0.08 0.42 -0.75 4.63 4.43 2kw5A15 HIS 181 HB2 0.03 -0.02 0.01 -0.04 3.26 3.24 2kw5A15 HIS 181 HB3 -0.01 -0.02 -0.10 -0.04 3.20 3.04 2kw5A15 HIS 181 HD2 0.05 -0.01 -0.01 -0.04 6.97 6.96 2kw5A15 HIS 181 HE1 0.23 0.08 -0.00 -0.04 7.75 8.02 2kw5A15 GLN 182 H -0.44 0.12 0.10 -0.55 8.47 7.70 2kw5A15 GLN 182 HA -0.02 0.09 0.57 -0.75 4.36 4.24 2kw5A15 GLN 182 HB2 -0.19 -0.00 0.19 -0.04 2.15 2.11 2kw5A15 GLN 182 HB3 -0.01 -0.04 0.06 -0.04 2.02 1.99 2kw5A15 GLN 182 HG2 -0.03 -0.01 0.03 -0.04 2.40 2.34 2kw5A15 GLN 182 HG3 -0.03 0.04 0.03 -0.04 2.39 2.39 2kw5A15 GLN 182 HE21 -0.03 -0.01 0.01 -0.04 6.97 6.89 2kw5A15 GLN 182 HE22 -0.04 0.02 0.02 -0.04 7.69 7.65 2kw5A15 GLY 183 H 0.03 0.27 0.13 -0.55 8.43 8.32 2kw5A15 GLY 183 HA2 -0.00 0.10 0.30 -0.51 4.01 3.90 2kw5A15 GLY 183 HA3 -0.01 0.05 0.26 -0.51 4.01 3.80 2kw5A15 LYS 184 H -0.00 0.11 -0.79 -0.55 8.42 7.19 2kw5A15 LYS 184 HA -0.03 0.16 0.94 -0.75 4.32 4.64 2kw5A15 LYS 184 HB2 0.03 -0.05 -0.11 -0.04 1.87 1.71 2kw5A15 LYS 184 HB3 0.02 -0.01 0.01 -0.04 1.79 1.77 2kw5A15 LYS 184 HG2 0.00 -0.12 -0.21 -0.04 1.46 1.10 2kw5A15 LYS 184 HG3 0.01 0.00 -0.10 -0.04 1.46 1.33 2kw5A15 LYS 184 HD2 -0.01 0.12 -0.16 -0.04 1.69 1.60 2kw5A15 LYS 184 HD3 -0.00 0.01 -0.13 -0.04 1.68 1.51 2kw5A15 LYS 184 HE2 0.00 0.01 -0.24 -0.04 2.99 2.71 2kw5A15 LYS 184 HE3 -0.00 0.01 -0.09 -0.04 2.99 2.86 2kw5A15 ALA 185 H 0.03 0.36 0.21 -0.55 8.40 8.46 2kw5A15 ALA 185 HA 0.32 0.07 0.55 -0.75 4.34 4.52 2kw5A15 ALA 185 HB3 0.10 0.03 -0.03 -0.04 1.41 1.46 2kw5A15 ALA 186 H 0.15 0.14 0.07 -0.55 8.40 8.21 2kw5A15 ALA 186 HA 0.03 0.13 0.75 -0.75 4.34 4.49 2kw5A15 ALA 186 HB3 0.02 -0.01 0.07 -0.04 1.41 1.46 2kw5A15 LEU 187 H -0.01 0.33 0.16 -0.55 8.37 8.31 2kw5A15 LEU 187 HA -0.06 0.15 0.88 -0.75 4.35 4.56 2kw5A15 LEU 187 HB2 -0.06 0.25 0.13 -0.04 1.64 1.93 2kw5A15 LEU 187 HB3 -0.15 0.05 0.11 -0.04 1.64 1.61 2kw5A15 LEU 187 HG 0.05 -0.03 -0.19 -0.04 1.64 1.43 2kw5A15 LEU 187 HD13 0.02 0.01 -0.04 -0.04 0.93 0.88 2kw5A15 LEU 187 HD23 0.25 0.03 -0.17 -0.04 0.89 0.96 2kw5A15 ILE 188 H -0.25 0.60 0.17 -0.55 8.25 8.23 2kw5A15 ILE 188 HA -0.12 0.15 1.04 -0.75 4.18 4.50 2kw5A15 ILE 188 HB -0.14 0.07 -0.11 -0.04 1.89 1.67 2kw5A15 ILE 188 HG12 -0.17 0.01 -0.42 -0.04 1.49 0.87 2kw5A15 ILE 188 HG13 -0.19 -0.07 -0.07 -0.04 1.21 0.84 2kw5A15 ILE 188 HG23 -0.08 -0.04 -0.32 -0.04 0.93 0.45 2kw5A15 ILE 188 HD13 -0.10 0.04 -0.08 -0.04 0.88 0.70 2kw5A15 GLN 189 H -0.12 0.57 0.34 -0.55 8.47 8.71 2kw5A15 GLN 189 HA -0.22 0.28 1.14 -0.75 4.36 4.81 2kw5A15 GLN 189 HB2 -0.14 -0.01 0.05 -0.04 2.15 2.01 2kw5A15 GLN 189 HB3 -0.43 0.02 0.01 -0.04 2.02 1.58 2kw5A15 GLN 189 HG2 -0.39 0.03 0.05 -0.04 2.40 2.05 2kw5A15 GLN 189 HG3 -0.23 -0.05 -0.22 -0.04 2.39 1.85 2kw5A15 GLN 189 HE21 -0.41 0.01 -0.00 -0.04 6.97 6.53 2kw5A15 GLN 189 HE22 -0.19 -0.02 -0.01 -0.04 7.69 7.42 2kw5A15 LEU 190 H -0.09 0.47 0.36 -0.55 8.37 8.57 2kw5A15 LEU 190 HA 0.00 0.39 0.95 -0.75 4.35 4.94 2kw5A15 LEU 190 HB2 -0.03 -0.07 0.20 -0.04 1.64 1.69 2kw5A15 LEU 190 HB3 -0.06 0.09 0.01 -0.04 1.64 1.64 2kw5A15 LEU 190 HG -0.28 -0.08 -0.36 -0.04 1.64 0.87 2kw5A15 LEU 190 HD13 -0.38 -0.02 -0.19 -0.04 0.93 0.30 2kw5A15 LEU 190 HD23 -1.09 0.04 0.06 -0.04 0.89 -0.13 2kw5A15 LEU 191 H 0.40 0.61 0.26 -0.55 8.37 9.10 2kw5A15 LEU 191 HA 0.37 0.16 0.63 -0.75 4.35 4.75 2kw5A15 LEU 191 HB2 0.50 0.02 -0.01 -0.04 1.64 2.11 2kw5A15 LEU 191 HB3 0.31 -0.10 0.16 -0.04 1.64 1.97 2kw5A15 LEU 191 HG 0.13 -0.04 -0.20 -0.04 1.64 1.49 2kw5A15 LEU 191 HD13 0.10 0.03 -0.08 -0.04 0.93 0.94 2kw5A15 LEU 191 HD23 -0.05 0.01 -0.09 -0.04 0.89 0.72 2kw5A15 GLY 192 H 0.33 0.45 0.17 -0.55 8.43 8.84 2kw5A15 GLY 192 HA2 -0.14 0.09 0.70 -0.51 4.01 4.15 2kw5A15 GLY 192 HA3 -0.44 0.04 0.34 -0.51 4.01 3.45 2kw5A15 GLN 193 H -0.10 0.47 0.19 -0.55 8.47 8.48 2kw5A15 GLN 193 HA -0.04 0.13 0.85 -0.75 4.36 4.55 2kw5A15 GLN 193 HB2 0.03 -0.13 -0.08 -0.04 2.15 1.93 2kw5A15 GLN 193 HB3 0.01 0.08 0.02 -0.04 2.02 2.09 2kw5A15 GLN 193 HG2 0.02 -0.08 -0.05 -0.04 2.40 2.26 2kw5A15 GLN 193 HG3 0.01 0.38 -0.09 -0.04 2.39 2.65 2kw5A15 GLN 193 HE21 0.01 -0.03 -0.01 -0.04 6.97 6.90 2kw5A15 GLN 193 HE22 -0.03 0.06 0.04 -0.04 7.69 7.72 2kw5A15 LYS 194 H -0.04 0.15 0.11 -0.55 8.42 8.08 2kw5A15 LYS 194 HA -0.06 0.04 0.64 -0.75 4.32 4.18 2kw5A15 LYS 194 HB2 -0.00 0.06 0.04 -0.04 1.87 1.92 2kw5A15 LYS 194 HB3 -0.04 -0.29 0.23 -0.04 1.79 1.65 2kw5A15 LYS 194 HG2 0.07 0.02 -0.23 -0.04 1.46 1.27 2kw5A15 LYS 194 HG3 0.05 0.10 -0.16 -0.04 1.46 1.41 2kw5A15 LYS 194 HD2 -0.04 -0.02 0.03 -0.04 1.69 1.62 2kw5A15 LYS 194 HD3 -0.02 -0.18 0.12 -0.04 1.68 1.56 2kw5A15 LYS 194 HE2 -0.07 0.13 0.07 -0.04 2.99 3.08 2kw5A15 LYS 194 HE3 -0.04 -0.10 -0.03 -0.04 2.99 2.78 2kw5A15 LEU 195 H -0.00 0.12 0.23 -0.55 8.37 8.17 2kw5A15 LEU 195 HA 0.04 0.13 0.63 -0.75 4.35 4.39 2kw5A15 LEU 195 HB2 0.10 -0.04 0.14 -0.04 1.64 1.80 2kw5A15 LEU 195 HB3 0.05 -0.04 0.15 -0.04 1.64 1.76 2kw5A15 LEU 195 HG -0.01 0.06 0.21 -0.04 1.64 1.87 2kw5A15 LEU 195 HD13 -0.01 0.02 0.09 -0.04 0.93 0.99 2kw5A15 LEU 195 HD23 -0.02 -0.02 0.03 -0.04 0.89 0.84 2kw5A15 GLU 196 H 0.07 0.16 0.15 -0.55 8.60 8.43 2kw5A15 GLU 196 HA 0.10 0.24 0.43 -0.75 4.29 4.30 2kw5A15 GLU 196 HB2 0.01 0.01 0.10 -0.04 2.09 2.17 2kw5A15 GLU 196 HB3 0.07 0.04 0.10 -0.04 1.99 2.16 2kw5A15 GLU 196 HG2 0.05 -0.05 0.07 -0.04 2.34 2.36 2kw5A15 GLU 196 HG3 0.04 0.02 -0.19 -0.04 2.34 2.17 2kw5A15 HIS 197 H 0.15 -0.05 -0.50 -0.55 8.41 7.46 2kw5A15 HIS 197 HA 0.01 0.03 0.46 -0.75 4.63 4.38 2kw5A15 HIS 197 HB2 0.01 -0.04 0.06 -0.04 3.26 3.26 2kw5A15 HIS 197 HB3 0.02 0.02 0.00 -0.04 3.20 3.19 2kw5A15 HIS 197 HD2 0.01 -0.01 0.07 -0.04 6.97 7.00 2kw5A15 HIS 197 HE1 -0.00 0.01 -0.01 -0.04 7.75 7.70 2kw5A15 HIS 198 H 0.11 0.39 -0.25 -0.55 8.41 8.12 2kw5A15 HIS 198 HA -0.23 0.03 0.69 -0.75 4.63 4.37 2kw5A15 HIS 198 HB2 -0.14 -0.09 0.06 -0.04 3.26 3.05 2kw5A15 HIS 198 HB3 -0.05 0.06 0.05 -0.04 3.20 3.22 2kw5A15 HIS 198 HD2 -0.06 -0.02 -0.13 -0.04 6.97 6.72 2kw5A15 HIS 198 HE1 -0.25 -0.07 0.04 -0.04 7.75 7.42 2kw5A15 HIS 199 H -0.58 0.08 0.12 -0.55 8.41 7.49 2kw5A15 HIS 199 HA -0.21 0.05 0.46 -0.75 4.63 4.18 2kw5A15 HIS 199 HB2 -0.10 -0.12 0.03 -0.04 3.26 3.03 2kw5A15 HIS 199 HB3 -0.14 0.03 0.09 -0.04 3.20 3.13 2kw5A15 HIS 199 HD2 -0.03 0.06 -0.44 -0.04 6.97 6.51 2kw5A15 HIS 199 HE1 -0.07 -0.01 0.02 -0.04 7.75 7.65 2kw5A15 HIS 200 H -0.05 0.02 0.15 -0.55 8.41 7.98 2kw5A15 HIS 200 HA 0.05 0.23 0.57 -0.75 4.63 4.72 2kw5A15 HIS 200 HB2 0.06 -0.16 0.11 -0.04 3.26 3.23 2kw5A15 HIS 200 HB3 0.07 0.06 -0.03 -0.04 3.20 3.25 2kw5A15 HIS 200 HD2 0.03 0.13 -0.25 -0.04 6.97 6.84 2kw5A15 HIS 200 HE1 0.01 -0.03 -0.01 -0.04 7.75 7.68 2kw5A15 HIS 201 H 0.18 -0.06 0.04 -0.55 8.41 8.03 2kw5A15 HIS 201 HA 0.06 -0.08 0.34 -0.75 4.63 4.19 2kw5A15 HIS 201 HB2 0.10 -0.05 -0.13 -0.04 3.26 3.14 2kw5A15 HIS 201 HB3 0.13 0.23 0.17 -0.04 3.20 3.68 2kw5A15 HIS 201 HD2 0.01 0.06 -0.20 -0.04 6.97 6.80 2kw5A15 HIS 201 HE1 -0.07 -0.02 -0.01 -0.04 7.75 7.61 2kw5A15 HIS 202 H 0.17 0.02 -0.03 -0.55 8.41 8.03 2kw5A15 HIS 202 HA 0.10 0.22 0.33 -0.75 4.63 4.52 2kw5A15 HIS 202 HB2 0.07 0.01 0.02 -0.04 3.26 3.32 2kw5A15 HIS 202 HB3 0.03 -0.03 0.07 -0.04 3.20 3.23 2kw5A15 HIS 202 HD2 0.05 0.04 0.02 -0.04 6.97 7.03 2kw5A15 HIS 202 HE1 0.03 -0.01 0.02 -0.04 7.75 7.74