============================================================================= 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 -45.159 2.951 14.718 -99.200 -91.000 TRP6 2 1.020 -43.486 4.542 14.228 -99.200 -91.000 PHE 6 1.000 -37.040 -7.742 11.784 -99.200 -91.000 TYR 11 0.840 -26.309 -7.478 6.800 -99.200 -91.000 TYR 13 0.840 -20.103 -7.225 5.440 -99.200 -91.000 PHE 20 1.000 2.157 -9.487 5.104 -99.200 -91.000 PHE 46 1.000 -9.357 -10.606 1.445 -99.200 -91.000 TYR 52 0.840 -13.614 -3.839 6.141 -99.200 -91.000 PHE 88 1.000 -6.153 12.760 -4.310 -99.200 -91.000 TRP 95 1.040 -9.000 9.510 1.099 -99.200 -91.000 TRP6 95 1.020 -10.866 9.318 -0.327 -99.200 -91.000 PHE 102 1.000 2.907 -6.693 -1.181 -99.200 -91.000 HIS 104 0.900 8.457 -0.751 -9.377 -99.200 -91.000 TYR 114 0.840 9.337 6.578 0.888 -99.200 -91.000 TYR 118 0.840 6.695 12.401 10.335 -99.200 -91.000 PHE 127 1.000 3.779 2.800 2.399 -99.200 -91.000 PHE 132 1.000 10.777 -7.756 -4.724 -99.200 -91.000 TYR 139 0.840 19.272 -10.839 -12.997 -99.200 -91.000 TRP 165 1.040 7.932 0.502 9.515 -99.200 -91.000 TRP6 165 1.020 6.924 0.833 7.408 -99.200 -91.000 TYR 180 0.840 30.271 -18.798 -4.089 -99.200 -91.000 HIS 181 0.900 28.936 -24.649 -6.624 -99.200 -91.000 HIS 197 0.900 1.378 5.013 24.700 -99.200 -91.000 HIS 198 0.900 -5.461 6.244 27.428 -99.200 -91.000 HIS 199 0.900 -5.060 6.950 19.001 -99.200 -91.000 HIS 200 0.900 -11.819 11.978 22.489 -99.200 -91.000 HIS 201 0.900 -12.199 4.001 19.107 -99.200 -91.000 HIS 202 0.900 -10.771 6.773 26.267 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2kw5A20 MET 1 HA 0.08 0.01 0.21 -0.75 4.52 4.07 2kw5A20 MET 1 HB2 0.11 -0.12 0.06 -0.04 2.15 2.16 2kw5A20 MET 1 HB3 0.10 0.04 -0.04 -0.04 2.03 2.09 2kw5A20 MET 1 HG2 0.05 -0.01 0.03 -0.04 2.63 2.67 2kw5A20 MET 1 HG3 0.05 0.01 0.01 -0.04 2.56 2.59 2kw5A20 MET 1 HE3 0.03 0.00 -0.01 -0.04 2.10 2.09 2kw5A20 TRP 2 H 0.18 0.14 -0.05 -0.55 7.97 7.70 2kw5A20 TRP 2 HA 0.01 0.14 0.48 -0.75 4.62 4.49 2kw5A20 TRP 2 HB2 0.01 0.10 -0.19 -0.04 3.23 3.11 2kw5A20 TRP 2 HB3 0.01 -0.03 0.07 -0.04 3.23 3.24 2kw5A20 TRP 2 HD1 0.00 0.06 0.06 -0.04 7.22 7.31 2kw5A20 TRP 2 HE1 0.00 0.00 0.00 -0.04 10.20 10.17 2kw5A20 TRP 2 HE3 0.01 -0.01 0.05 -0.04 7.59 7.60 2kw5A20 TRP 2 HZ2 0.01 0.01 0.01 -0.04 7.44 7.42 2kw5A20 TRP 2 HZ3 0.01 0.00 0.02 -0.04 7.13 7.12 2kw5A20 TRP 2 HH2 0.01 0.01 0.01 -0.04 7.19 7.18 2kw5A20 ASP 3 H 0.03 0.26 -0.02 -0.55 8.40 8.12 2kw5A20 ASP 3 HA -0.06 0.08 0.55 -0.75 4.63 4.43 2kw5A20 ASP 3 HB2 -0.01 0.05 0.20 -0.04 2.71 2.90 2kw5A20 ASP 3 HB3 -0.02 -0.01 0.11 -0.04 2.70 2.73 2kw5A20 GLU 4 H -0.34 0.41 0.27 -0.55 8.60 8.40 2kw5A20 GLU 4 HA -0.23 0.16 0.61 -0.75 4.29 4.07 2kw5A20 GLU 4 HB2 -0.57 0.03 0.12 -0.04 2.09 1.63 2kw5A20 GLU 4 HB3 -0.40 0.01 0.17 -0.04 1.99 1.73 2kw5A20 GLU 4 HG2 -1.60 0.23 -0.08 -0.04 2.34 0.85 2kw5A20 GLU 4 HG3 -1.66 -0.00 0.01 -0.04 2.34 0.65 2kw5A20 ARG 5 H -0.08 0.12 -0.66 -0.55 8.46 7.29 2kw5A20 ARG 5 HA -0.04 0.15 0.22 -0.75 4.34 3.91 2kw5A20 ARG 5 HB2 -0.02 0.02 0.04 -0.04 1.90 1.89 2kw5A20 ARG 5 HB3 -0.03 0.02 0.15 -0.04 1.80 1.90 2kw5A20 ARG 5 HG2 -0.04 0.06 -0.02 -0.04 1.67 1.63 2kw5A20 ARG 5 HG3 -0.05 -0.12 -0.00 -0.04 1.67 1.46 2kw5A20 ARG 5 HD2 -0.01 -0.00 0.01 -0.04 3.22 3.18 2kw5A20 ARG 5 HD3 -0.01 0.03 0.02 -0.04 3.22 3.21 2kw5A20 PHE 6 H 0.09 0.34 -0.81 -0.55 8.34 7.41 2kw5A20 PHE 6 HA -0.05 0.03 0.55 -0.75 4.62 4.40 2kw5A20 PHE 6 HB2 -0.06 0.00 0.04 -0.04 3.15 3.08 2kw5A20 PHE 6 HB3 -0.06 0.07 0.17 -0.04 3.06 3.19 2kw5A20 PHE 6 HD2 -0.03 0.01 0.02 -0.04 7.28 7.23 2kw5A20 PHE 6 HE2 -0.02 0.02 0.01 -0.04 7.38 7.35 2kw5A20 PHE 6 HZ -0.02 0.01 0.02 -0.04 7.32 7.29 2kw5A20 SER 7 H -0.15 0.44 0.22 -0.55 8.46 8.43 2kw5A20 SER 7 HA -0.07 0.20 0.66 -0.75 4.49 4.52 2kw5A20 SER 7 HB2 -0.05 -0.00 0.17 -0.04 3.95 4.02 2kw5A20 SER 7 HB3 -0.04 -0.00 -0.03 -0.04 3.93 3.82 2kw5A20 GLN 8 H -0.73 0.04 -0.30 -0.55 8.47 6.93 2kw5A20 GLN 8 HA -0.27 0.06 0.46 -0.75 4.36 3.85 2kw5A20 GLN 8 HB2 -1.24 0.01 0.15 -0.04 2.15 1.03 2kw5A20 GLN 8 HB3 -0.37 0.03 0.06 -0.04 2.02 1.70 2kw5A20 GLN 8 HG2 -0.64 -0.09 0.08 -0.04 2.40 1.71 2kw5A20 GLN 8 HG3 -0.37 0.02 0.04 -0.04 2.39 2.03 2kw5A20 GLN 8 HE21 -0.14 -0.00 0.00 -0.04 6.97 6.79 2kw5A20 GLN 8 HE22 -0.11 0.01 -0.01 -0.04 7.69 7.54 2kw5A20 SER 9 H -0.17 0.36 0.35 -0.55 8.46 8.46 2kw5A20 SER 9 HA -0.22 0.06 0.60 -0.75 4.49 4.17 2kw5A20 SER 9 HB2 -0.03 -0.02 -0.07 -0.04 3.95 3.80 2kw5A20 SER 9 HB3 -0.02 0.08 -0.30 -0.04 3.93 3.64 2kw5A20 GLU 10 H -0.54 0.28 0.12 -0.55 8.60 7.92 2kw5A20 GLU 10 HA -0.17 0.10 0.57 -0.75 4.29 4.04 2kw5A20 GLU 10 HB2 -0.15 0.10 -0.09 -0.04 2.09 1.91 2kw5A20 GLU 10 HB3 -0.20 -0.01 0.03 -0.04 1.99 1.76 2kw5A20 GLU 10 HG2 -0.15 -0.08 -0.16 -0.04 2.34 1.90 2kw5A20 GLU 10 HG3 -0.11 0.03 0.04 -0.04 2.34 2.26 2kw5A20 TYR 11 H -0.11 0.19 -0.02 -0.55 8.29 7.80 2kw5A20 TYR 11 HA -0.29 0.19 0.77 -0.75 4.56 4.48 2kw5A20 TYR 11 HB2 -0.29 0.01 0.12 -0.04 3.06 2.85 2kw5A20 TYR 11 HB3 -0.79 0.07 0.09 -0.04 2.98 2.30 2kw5A20 TYR 11 HD2 -0.06 0.02 -0.07 -0.04 7.15 7.00 2kw5A20 TYR 11 HE2 0.00 0.00 -0.05 -0.04 6.85 6.77 2kw5A20 VAL 12 H -0.18 0.13 -0.10 -0.55 8.24 7.54 2kw5A20 VAL 12 HA -0.12 0.10 0.63 -0.75 4.13 3.98 2kw5A20 VAL 12 HB -0.08 -0.00 0.13 -0.04 2.12 2.13 2kw5A20 VAL 12 HG13 -0.02 0.01 -0.13 -0.04 0.97 0.78 2kw5A20 VAL 12 HG23 -0.07 -0.01 -0.00 -0.04 0.95 0.82 2kw5A20 TYR 13 H -0.12 0.27 0.19 -0.55 8.29 8.08 2kw5A20 TYR 13 HA -0.04 0.08 0.66 -0.75 4.56 4.50 2kw5A20 TYR 13 HB2 -0.16 0.09 0.12 -0.04 3.06 3.07 2kw5A20 TYR 13 HB3 -0.17 0.07 -0.07 -0.04 2.98 2.76 2kw5A20 TYR 13 HD2 -0.02 0.02 0.02 -0.04 7.15 7.12 2kw5A20 TYR 13 HE2 0.00 -0.04 0.04 -0.04 6.85 6.81 2kw5A20 GLY 14 H 0.04 0.33 0.22 -0.55 8.43 8.48 2kw5A20 GLY 14 HA2 -0.02 0.01 0.35 -0.51 4.01 3.84 2kw5A20 GLY 14 HA3 0.02 0.05 0.31 -0.51 4.01 3.88 2kw5A20 THR 15 H 0.07 -0.05 0.16 -0.55 8.28 7.91 2kw5A20 THR 15 HA 0.04 0.11 0.40 -0.75 4.39 4.20 2kw5A20 THR 15 HB 0.06 0.22 -0.02 -0.04 4.32 4.54 2kw5A20 THR 15 HG23 0.16 -0.02 -0.18 -0.04 1.22 1.14 2kw5A20 GLU 16 H 0.15 -0.04 0.13 -0.55 8.60 8.29 2kw5A20 GLU 16 HA 0.14 0.02 0.38 -0.75 4.29 4.07 2kw5A20 GLU 16 HB2 0.06 -0.03 -0.06 -0.04 2.09 2.02 2kw5A20 GLU 16 HB3 0.05 0.13 0.03 -0.04 1.99 2.16 2kw5A20 GLU 16 HG2 0.04 0.00 -0.12 -0.04 2.34 2.22 2kw5A20 GLU 16 HG3 0.06 -0.01 -0.01 -0.04 2.34 2.34 2kw5A20 PRO 17 HA 0.02 0.17 0.66 -0.51 4.44 4.78 2kw5A20 PRO 17 HB2 -0.06 0.00 -0.11 -0.04 2.28 2.08 2kw5A20 PRO 17 HB3 0.00 0.09 0.03 -0.04 2.02 2.10 2kw5A20 PRO 17 HG2 -0.24 -0.11 -0.01 -0.04 2.03 1.64 2kw5A20 PRO 17 HG3 -0.13 0.08 -0.02 -0.04 2.03 1.91 2kw5A20 PRO 17 HD2 0.19 0.01 0.17 -0.04 3.68 4.02 2kw5A20 PRO 17 HD3 0.20 0.15 -0.08 -0.04 3.65 3.88 2kw5A20 ASN 18 H 0.00 0.16 0.05 -0.55 8.53 8.19 2kw5A20 ASN 18 HA 0.01 0.11 0.43 -0.75 4.76 4.56 2kw5A20 ASN 18 HB2 0.01 0.06 0.11 -0.04 2.88 3.02 2kw5A20 ASN 18 HB3 0.01 -0.03 0.20 -0.04 2.79 2.93 2kw5A20 ASN 18 HD21 0.01 -0.01 0.04 -0.04 7.03 7.03 2kw5A20 ASN 18 HD22 0.02 0.00 -0.01 -0.04 7.74 7.71 2kw5A20 ASP 19 H 0.01 0.41 0.29 -0.55 8.40 8.56 2kw5A20 ASP 19 HA 0.04 0.18 0.70 -0.75 4.63 4.80 2kw5A20 ASP 19 HB2 -0.11 0.10 -0.12 -0.04 2.71 2.55 2kw5A20 ASP 19 HB3 -0.02 -0.31 0.11 -0.04 2.70 2.43 2kw5A20 PHE 20 H 0.19 0.14 0.15 -0.55 8.34 8.27 2kw5A20 PHE 20 HA 0.03 0.22 0.64 -0.75 4.62 4.76 2kw5A20 PHE 20 HB2 0.06 0.06 0.06 -0.04 3.15 3.29 2kw5A20 PHE 20 HB3 0.10 -0.03 0.09 -0.04 3.06 3.17 2kw5A20 PHE 20 HD2 0.06 -0.01 -0.08 -0.04 7.28 7.22 2kw5A20 PHE 20 HE2 0.01 0.03 -0.04 -0.04 7.38 7.35 2kw5A20 PHE 20 HZ 0.04 0.02 -0.16 -0.04 7.32 7.18 2kw5A20 LEU 21 H 0.09 0.03 0.03 -0.55 8.37 7.98 2kw5A20 LEU 21 HA 0.07 0.11 0.30 -0.75 4.35 4.07 2kw5A20 LEU 21 HB2 0.07 -0.02 0.08 -0.04 1.64 1.73 2kw5A20 LEU 21 HB3 -0.17 0.01 0.03 -0.04 1.64 1.46 2kw5A20 LEU 21 HG 0.23 0.08 -0.17 -0.04 1.64 1.74 2kw5A20 LEU 21 HD13 0.13 0.00 -0.02 -0.04 0.93 0.99 2kw5A20 LEU 21 HD23 0.06 0.03 -0.02 -0.04 0.89 0.91 2kw5A20 VAL 22 H -0.06 0.05 -0.15 -0.55 8.24 7.53 2kw5A20 VAL 22 HA 0.26 0.11 0.40 -0.75 4.13 4.14 2kw5A20 VAL 22 HB 0.11 0.06 0.03 -0.04 2.12 2.28 2kw5A20 VAL 22 HG13 0.07 0.01 0.07 -0.04 0.97 1.08 2kw5A20 VAL 22 HG23 0.01 0.01 -0.11 -0.04 0.95 0.82 2kw5A20 SER 23 H -0.07 0.14 -0.63 -0.55 8.46 7.36 2kw5A20 SER 23 HA -0.04 0.11 0.38 -0.75 4.49 4.19 2kw5A20 SER 23 HB2 -0.34 0.14 0.13 -0.04 3.95 3.84 2kw5A20 SER 23 HB3 -0.15 0.01 0.02 -0.04 3.93 3.77 2kw5A20 VAL 24 H -0.16 0.25 0.01 -0.55 8.24 7.78 2kw5A20 VAL 24 HA -0.08 0.09 0.39 -0.75 4.13 3.77 2kw5A20 VAL 24 HB -0.03 0.01 0.04 -0.04 2.12 2.10 2kw5A20 VAL 24 HG13 -0.22 0.03 0.03 -0.04 0.97 0.77 2kw5A20 VAL 24 HG23 0.04 0.06 -0.06 -0.04 0.95 0.95 2kw5A20 ALA 25 H 0.05 0.47 -0.22 -0.55 8.40 8.15 2kw5A20 ALA 25 HA 0.09 0.03 0.32 -0.75 4.34 4.03 2kw5A20 ALA 25 HB3 0.18 0.02 0.00 -0.04 1.41 1.57 2kw5A20 ASN 26 H 0.04 0.23 -0.36 -0.55 8.53 7.90 2kw5A20 ASN 26 HA 0.05 0.06 0.52 -0.75 4.76 4.63 2kw5A20 ASN 26 HB2 0.03 -0.03 0.13 -0.04 2.88 2.97 2kw5A20 ASN 26 HB3 -0.00 0.27 0.15 -0.04 2.79 3.17 2kw5A20 ASN 26 HD21 -0.01 0.00 -0.01 -0.04 7.03 6.98 2kw5A20 ASN 26 HD22 -0.00 -0.05 -0.04 -0.04 7.74 7.60 2kw5A20 GLN 27 H -0.01 0.19 -0.41 -0.55 8.47 7.70 2kw5A20 GLN 27 HA -0.03 0.05 0.43 -0.75 4.36 4.05 2kw5A20 GLN 27 HB2 -0.03 0.12 0.11 -0.04 2.15 2.32 2kw5A20 GLN 27 HB3 -0.04 -0.08 0.05 -0.04 2.02 1.92 2kw5A20 GLN 27 HG2 -0.03 0.18 0.05 -0.04 2.40 2.56 2kw5A20 GLN 27 HG3 -0.03 -0.10 -0.02 -0.04 2.39 2.19 2kw5A20 GLN 27 HE21 -0.02 -0.07 -0.39 -0.04 6.97 6.46 2kw5A20 GLN 27 HE22 -0.02 -0.02 -0.12 -0.04 7.69 7.49 2kw5A20 ILE 28 H -0.01 0.10 -0.30 -0.55 8.25 7.49 2kw5A20 ILE 28 HA -0.06 0.07 0.40 -0.75 4.18 3.83 2kw5A20 ILE 28 HB -0.01 0.06 0.04 -0.04 1.89 1.94 2kw5A20 ILE 28 HG12 -0.02 -0.03 -0.04 -0.04 1.49 1.37 2kw5A20 ILE 28 HG13 0.01 0.25 -0.11 -0.04 1.21 1.32 2kw5A20 ILE 28 HG23 -0.08 0.05 -0.12 -0.04 0.93 0.74 2kw5A20 ILE 28 HD13 0.05 -0.06 -0.12 -0.04 0.88 0.70 2kw5A20 PRO 29 HA -0.15 0.03 0.52 -0.51 4.44 4.32 2kw5A20 PRO 29 HB2 -0.11 -0.09 0.00 -0.04 2.28 2.03 2kw5A20 PRO 29 HB3 -0.12 -0.01 0.05 -0.04 2.02 1.90 2kw5A20 PRO 29 HG2 -0.09 0.11 0.18 -0.04 2.03 2.19 2kw5A20 PRO 29 HG3 -0.13 0.02 0.14 -0.04 2.03 2.03 2kw5A20 PRO 29 HD2 -0.09 0.18 0.36 -0.04 3.68 4.09 2kw5A20 PRO 29 HD3 -0.10 0.25 0.30 -0.04 3.65 4.07 2kw5A20 GLN 30 H -0.21 0.13 0.12 -0.55 8.47 7.97 2kw5A20 GLN 30 HA -1.30 0.16 0.20 -0.75 4.36 2.66 2kw5A20 GLN 30 HB2 -0.11 -0.07 0.13 -0.04 2.15 2.06 2kw5A20 GLN 30 HB3 -0.09 0.06 0.18 -0.04 2.02 2.12 2kw5A20 GLN 30 HG2 -0.09 0.11 0.05 -0.04 2.40 2.43 2kw5A20 GLN 30 HG3 -0.14 -0.02 0.14 -0.04 2.39 2.33 2kw5A20 GLN 30 HE21 -0.00 0.08 0.04 -0.04 6.97 7.05 2kw5A20 GLN 30 HE22 0.04 -0.06 0.04 -0.04 7.69 7.66 2kw5A20 GLY 31 H -0.22 0.19 -0.88 -0.55 8.43 6.98 2kw5A20 GLY 31 HA2 -0.05 0.20 0.77 -0.51 4.01 4.42 2kw5A20 GLY 31 HA3 -0.05 -0.08 0.29 -0.51 4.01 3.65 2kw5A20 LYS 32 H 0.02 0.08 0.16 -0.55 8.42 8.12 2kw5A20 LYS 32 HA 0.07 0.25 0.61 -0.75 4.32 4.49 2kw5A20 LYS 32 HB2 0.10 0.02 0.19 -0.04 1.87 2.14 2kw5A20 LYS 32 HB3 0.14 -0.24 0.33 -0.04 1.79 1.98 2kw5A20 LYS 32 HG2 0.34 0.11 0.09 -0.04 1.46 1.97 2kw5A20 LYS 32 HG3 0.51 -0.03 -0.13 -0.04 1.46 1.77 2kw5A20 LYS 32 HD2 0.39 -0.07 -0.02 -0.04 1.69 1.95 2kw5A20 LYS 32 HD3 0.15 0.29 0.13 -0.04 1.68 2.21 2kw5A20 LYS 32 HE2 0.12 -0.03 -0.00 -0.04 2.99 3.03 2kw5A20 LYS 32 HE3 0.10 -0.02 0.05 -0.04 2.99 3.07 2kw5A20 ILE 33 H 0.02 0.51 0.29 -0.55 8.25 8.52 2kw5A20 ILE 33 HA -0.02 0.33 0.62 -0.75 4.18 4.35 2kw5A20 ILE 33 HB -0.02 -0.09 -0.09 -0.04 1.89 1.65 2kw5A20 ILE 33 HG12 -0.09 0.06 -0.32 -0.04 1.49 1.09 2kw5A20 ILE 33 HG13 -0.05 0.26 -0.28 -0.04 1.21 1.10 2kw5A20 ILE 33 HG23 -0.04 -0.03 -0.40 -0.04 0.93 0.42 2kw5A20 ILE 33 HD13 -0.04 -0.00 -0.19 -0.04 0.88 0.61 2kw5A20 LEU 34 H -0.13 0.45 0.29 -0.55 8.37 8.43 2kw5A20 LEU 34 HA -0.49 0.35 1.01 -0.75 4.35 4.47 2kw5A20 LEU 34 HB2 -1.12 0.02 0.08 -0.04 1.64 0.58 2kw5A20 LEU 34 HB3 -0.38 -0.03 0.27 -0.04 1.64 1.46 2kw5A20 LEU 34 HG -0.43 -0.06 -0.23 -0.04 1.64 0.88 2kw5A20 LEU 34 HD13 -1.03 0.07 -0.03 -0.04 0.93 -0.10 2kw5A20 LEU 34 HD23 -0.52 0.06 0.11 -0.04 0.89 0.50 2kw5A20 CYS 35 H -0.22 0.71 0.27 -0.55 8.50 8.71 2kw5A20 CYS 35 HA -0.11 0.45 0.90 -0.75 4.58 5.07 2kw5A20 CYS 35 HB2 -0.05 0.05 -0.10 -0.04 2.97 2.82 2kw5A20 CYS 35 HB3 -0.07 -0.08 0.05 -0.04 2.97 2.83 2kw5A20 LEU 36 H -0.13 0.51 0.32 -0.55 8.37 8.52 2kw5A20 LEU 36 HA -0.08 0.13 0.88 -0.75 4.35 4.53 2kw5A20 LEU 36 HB2 -0.10 -0.07 0.25 -0.04 1.64 1.69 2kw5A20 LEU 36 HB3 -0.04 -0.01 0.04 -0.04 1.64 1.58 2kw5A20 LEU 36 HG -0.18 0.08 -0.00 -0.04 1.64 1.49 2kw5A20 LEU 36 HD13 -0.13 -0.02 -0.07 -0.04 0.93 0.67 2kw5A20 LEU 36 HD23 -0.13 0.04 -0.02 -0.04 0.89 0.73 2kw5A20 ALA 37 H -0.02 0.72 0.25 -0.55 8.40 8.80 2kw5A20 ALA 37 HA 0.03 -0.02 0.45 -0.75 4.34 4.05 2kw5A20 ALA 37 HB3 0.01 -0.02 -0.18 -0.04 1.41 1.18 2kw5A20 GLU 38 H 0.07 0.07 0.08 -0.55 8.60 8.28 2kw5A20 GLU 38 HA 0.06 0.08 0.65 -0.75 4.29 4.33 2kw5A20 GLU 38 HB2 0.08 0.01 -0.08 -0.04 2.09 2.06 2kw5A20 GLU 38 HB3 0.12 0.15 0.11 -0.04 1.99 2.34 2kw5A20 GLU 38 HG2 0.14 -0.08 0.11 -0.04 2.34 2.47 2kw5A20 GLU 38 HG3 0.15 0.07 -0.03 -0.04 2.34 2.49 2kw5A20 GLY 39 H 0.14 0.22 0.08 -0.55 8.43 8.32 2kw5A20 GLY 39 HA2 0.10 0.11 0.43 -0.51 4.01 4.14 2kw5A20 GLY 39 HA3 0.19 -0.01 0.36 -0.51 4.01 4.04 2kw5A20 GLU 40 H 0.12 0.15 0.05 -0.55 8.60 8.38 2kw5A20 GLU 40 HA 0.05 0.22 0.79 -0.75 4.29 4.60 2kw5A20 GLU 40 HB2 0.09 -0.04 0.08 -0.04 2.09 2.18 2kw5A20 GLU 40 HB3 0.05 -0.10 0.04 -0.04 1.99 1.94 2kw5A20 GLU 40 HG2 0.02 0.13 -0.03 -0.04 2.34 2.41 2kw5A20 GLU 40 HG3 0.03 -0.02 -0.37 -0.04 2.34 1.94 2kw5A20 GLY 41 H 0.04 0.30 0.07 -0.55 8.43 8.29 2kw5A20 GLY 41 HA2 0.04 0.10 0.56 -0.51 4.01 4.19 2kw5A20 GLY 41 HA3 0.03 0.17 0.27 -0.51 4.01 3.96 2kw5A20 ARG 42 H 0.04 0.07 -0.17 -0.55 8.46 7.85 2kw5A20 ARG 42 HA 0.05 0.17 0.39 -0.75 4.34 4.19 2kw5A20 ARG 42 HB2 0.03 0.08 0.05 -0.04 1.90 2.01 2kw5A20 ARG 42 HB3 0.04 -0.10 0.01 -0.04 1.80 1.71 2kw5A20 ARG 42 HG2 0.04 -0.00 -0.36 -0.04 1.67 1.30 2kw5A20 ARG 42 HG3 0.03 0.08 -0.06 -0.04 1.67 1.68 2kw5A20 ARG 42 HD2 0.01 0.05 -0.04 -0.04 3.22 3.20 2kw5A20 ARG 42 HD3 0.02 -0.05 -0.06 -0.04 3.22 3.09 2kw5A20 ASN 43 H 0.08 0.14 -0.42 -0.55 8.53 7.78 2kw5A20 ASN 43 HA 0.12 0.09 0.33 -0.75 4.76 4.54 2kw5A20 ASN 43 HB2 0.10 0.16 0.10 -0.04 2.88 3.20 2kw5A20 ASN 43 HB3 0.12 0.04 -0.02 -0.04 2.79 2.89 2kw5A20 ASN 43 HD21 0.18 0.03 0.01 -0.04 7.03 7.21 2kw5A20 ASN 43 HD22 0.28 0.01 0.01 -0.04 7.74 7.99 2kw5A20 ALA 44 H 0.07 0.10 -0.31 -0.55 8.40 7.72 2kw5A20 ALA 44 HA 0.04 0.07 0.30 -0.75 4.34 4.00 2kw5A20 ALA 44 HB3 0.02 0.04 0.04 -0.04 1.41 1.47 2kw5A20 CYS 45 H 0.05 0.41 -0.21 -0.55 8.50 8.20 2kw5A20 CYS 45 HA 0.01 0.06 0.36 -0.75 4.58 4.26 2kw5A20 CYS 45 HB2 0.07 0.12 0.04 -0.04 2.97 3.15 2kw5A20 CYS 45 HB3 0.03 0.06 -0.15 -0.04 2.97 2.87 2kw5A20 PHE 46 H 0.18 0.31 -0.32 -0.55 8.34 7.96 2kw5A20 PHE 46 HA -0.02 0.09 0.41 -0.75 4.62 4.35 2kw5A20 PHE 46 HB2 0.02 -0.01 0.04 -0.04 3.15 3.16 2kw5A20 PHE 46 HB3 0.02 0.10 0.12 -0.04 3.06 3.25 2kw5A20 PHE 46 HD2 0.01 0.03 -0.13 -0.04 7.28 7.16 2kw5A20 PHE 46 HE2 0.01 -0.00 -0.14 -0.04 7.38 7.21 2kw5A20 PHE 46 HZ 0.01 -0.03 -0.02 -0.04 7.32 7.24 2kw5A20 LEU 47 H 0.11 0.41 -0.16 -0.55 8.37 8.18 2kw5A20 LEU 47 HA -0.15 0.06 0.27 -0.75 4.35 3.78 2kw5A20 LEU 47 HB2 0.05 0.04 0.06 -0.04 1.64 1.75 2kw5A20 LEU 47 HB3 0.08 0.04 -0.04 -0.04 1.64 1.68 2kw5A20 LEU 47 HG 0.22 0.13 0.01 -0.04 1.64 1.96 2kw5A20 LEU 47 HD13 0.08 -0.05 -0.16 -0.04 0.93 0.76 2kw5A20 LEU 47 HD23 0.18 0.00 -0.10 -0.04 0.89 0.94 2kw5A20 ALA 48 H -0.05 0.40 -0.22 -0.55 8.40 7.98 2kw5A20 ALA 48 HA -0.08 0.37 0.70 -0.75 4.34 4.57 2kw5A20 ALA 48 HB3 -0.05 0.03 0.12 -0.04 1.41 1.46 2kw5A20 SER 49 H -0.16 0.42 -0.24 -0.55 8.46 7.93 2kw5A20 SER 49 HA -0.18 0.07 0.48 -0.75 4.49 4.12 2kw5A20 SER 49 HB2 -0.10 -0.01 0.11 -0.04 3.95 3.91 2kw5A20 SER 49 HB3 -0.08 0.02 0.08 -0.04 3.93 3.91 2kw5A20 LEU 50 H -0.45 0.19 -0.75 -0.55 8.37 6.81 2kw5A20 LEU 50 HA -0.40 0.07 0.58 -0.75 4.35 3.84 2kw5A20 LEU 50 HB2 -1.07 0.22 0.05 -0.04 1.64 0.81 2kw5A20 LEU 50 HB3 -0.96 0.01 0.12 -0.04 1.64 0.76 2kw5A20 LEU 50 HG -0.78 0.31 -0.02 -0.04 1.64 1.11 2kw5A20 LEU 50 HD13 -0.21 -0.03 -0.07 -0.04 0.93 0.58 2kw5A20 LEU 50 HD23 -0.55 -0.02 -0.12 -0.04 0.89 0.16 2kw5A20 GLY 51 H -0.52 0.26 -0.45 -0.55 8.43 7.17 2kw5A20 GLY 51 HA2 -0.68 -0.00 0.28 -0.51 4.01 3.09 2kw5A20 GLY 51 HA3 -1.54 0.05 0.48 -0.51 4.01 2.49 2kw5A20 TYR 52 H -0.32 0.17 -0.12 -0.55 8.29 7.47 2kw5A20 TYR 52 HA -0.10 0.18 0.71 -0.75 4.56 4.60 2kw5A20 TYR 52 HB2 -0.10 0.06 -0.01 -0.04 3.06 2.97 2kw5A20 TYR 52 HB3 -0.06 0.09 -0.13 -0.04 2.98 2.84 2kw5A20 TYR 52 HD2 -0.08 -0.00 -0.25 -0.04 7.15 6.77 2kw5A20 TYR 52 HE2 -0.01 -0.04 -0.00 -0.04 6.85 6.75 2kw5A20 GLU 53 H 0.05 0.23 0.05 -0.55 8.60 8.39 2kw5A20 GLU 53 HA 0.00 0.10 0.57 -0.75 4.29 4.21 2kw5A20 GLU 53 HB2 0.04 -0.04 0.15 -0.04 2.09 2.20 2kw5A20 GLU 53 HB3 0.04 -0.03 0.02 -0.04 1.99 1.97 2kw5A20 GLU 53 HG2 -0.00 0.04 -0.05 -0.04 2.34 2.28 2kw5A20 GLU 53 HG3 0.01 0.08 0.02 -0.04 2.34 2.41 2kw5A20 VAL 54 H -0.00 0.36 0.24 -0.55 8.24 8.28 2kw5A20 VAL 54 HA -0.03 0.23 0.74 -0.75 4.13 4.32 2kw5A20 VAL 54 HB -0.02 -0.02 0.16 -0.04 2.12 2.20 2kw5A20 VAL 54 HG13 -0.03 -0.05 -0.20 -0.04 0.97 0.65 2kw5A20 VAL 54 HG23 0.04 0.05 -0.33 -0.04 0.95 0.66 2kw5A20 THR 55 H -0.12 0.60 0.33 -0.55 8.28 8.54 2kw5A20 THR 55 HA -0.08 0.27 0.94 -0.75 4.39 4.76 2kw5A20 THR 55 HB -0.38 -0.04 -0.00 -0.04 4.32 3.86 2kw5A20 THR 55 HG23 0.14 0.01 -0.06 -0.04 1.22 1.27 2kw5A20 ALA 56 H -0.08 0.44 0.24 -0.55 8.40 8.45 2kw5A20 ALA 56 HA -0.12 0.24 0.93 -0.75 4.34 4.63 2kw5A20 ALA 56 HB3 -0.04 -0.03 0.00 -0.04 1.41 1.31 2kw5A20 VAL 57 H -0.10 0.62 0.33 -0.55 8.24 8.54 2kw5A20 VAL 57 HA 0.00 0.31 0.99 -0.75 4.13 4.68 2kw5A20 VAL 57 HB -0.03 -0.07 0.15 -0.04 2.12 2.13 2kw5A20 VAL 57 HG13 0.09 -0.00 -0.30 -0.04 0.97 0.72 2kw5A20 VAL 57 HG23 -0.03 0.03 -0.11 -0.04 0.95 0.80 2kw5A20 ASP 58 H 0.01 0.40 0.16 -0.55 8.40 8.42 2kw5A20 ASP 58 HA 0.02 0.39 1.07 -0.75 4.63 5.35 2kw5A20 ASP 58 HB2 0.01 -0.04 -0.09 -0.04 2.71 2.55 2kw5A20 ASP 58 HB3 0.02 -0.01 0.14 -0.04 2.70 2.80 2kw5A20 GLN 59 H 0.03 0.27 0.17 -0.55 8.47 8.38 2kw5A20 GLN 59 HA 0.03 0.42 0.56 -0.75 4.36 4.63 2kw5A20 GLN 59 HB2 0.03 -0.03 0.23 -0.04 2.15 2.34 2kw5A20 GLN 59 HB3 0.03 0.01 0.14 -0.04 2.02 2.16 2kw5A20 GLN 59 HG2 0.03 0.03 0.13 -0.04 2.40 2.54 2kw5A20 GLN 59 HG3 0.03 0.03 0.25 -0.04 2.39 2.66 2kw5A20 GLN 59 HE21 0.02 0.04 0.03 -0.04 6.97 7.02 2kw5A20 GLN 59 HE22 0.02 0.00 0.04 -0.04 7.69 7.71 2kw5A20 SER 60 H 0.02 0.05 -0.50 -0.55 8.46 7.49 2kw5A20 SER 60 HA 0.02 0.19 0.84 -0.75 4.49 4.79 2kw5A20 SER 60 HB2 0.02 -0.04 0.13 -0.04 3.95 4.02 2kw5A20 SER 60 HB3 0.02 -0.04 0.09 -0.04 3.93 3.96 2kw5A20 SER 61 H 0.01 0.26 0.13 -0.55 8.46 8.32 2kw5A20 SER 61 HA 0.01 0.13 0.37 -0.75 4.49 4.25 2kw5A20 SER 61 HB2 0.01 0.02 0.07 -0.04 3.95 4.01 2kw5A20 SER 61 HB3 0.01 0.04 0.09 -0.04 3.93 4.03 2kw5A20 VAL 62 H 0.01 0.08 -0.22 -0.55 8.24 7.57 2kw5A20 VAL 62 HA 0.01 0.14 0.57 -0.75 4.13 4.10 2kw5A20 VAL 62 HB 0.01 0.07 0.04 -0.04 2.12 2.19 2kw5A20 VAL 62 HG13 0.01 0.02 0.03 -0.04 0.97 0.99 2kw5A20 VAL 62 HG23 0.01 0.00 -0.06 -0.04 0.95 0.87 2kw5A20 GLY 63 H 0.02 0.30 -0.25 -0.55 8.43 7.95 2kw5A20 GLY 63 HA2 0.02 0.07 0.42 -0.51 4.01 4.01 2kw5A20 GLY 63 HA3 0.02 0.11 0.27 -0.51 4.01 3.91 2kw5A20 LEU 64 H 0.01 0.26 -0.12 -0.55 8.37 7.98 2kw5A20 LEU 64 HA 0.01 0.04 0.49 -0.75 4.35 4.13 2kw5A20 LEU 64 HB2 0.01 0.14 0.16 -0.04 1.64 1.90 2kw5A20 LEU 64 HB3 0.01 0.01 -0.00 -0.04 1.64 1.61 2kw5A20 LEU 64 HG 0.01 0.06 0.11 -0.04 1.64 1.78 2kw5A20 LEU 64 HD13 0.01 0.03 -0.09 -0.04 0.93 0.85 2kw5A20 LEU 64 HD23 0.00 -0.09 0.07 -0.04 0.89 0.84 2kw5A20 ALA 65 H 0.01 0.45 -0.21 -0.55 8.40 8.11 2kw5A20 ALA 65 HA 0.01 0.06 0.43 -0.75 4.34 4.08 2kw5A20 ALA 65 HB3 0.01 0.06 0.11 -0.04 1.41 1.55 2kw5A20 LYS 66 H 0.01 0.29 -0.35 -0.55 8.42 7.82 2kw5A20 LYS 66 HA 0.01 0.08 0.47 -0.75 4.32 4.13 2kw5A20 LYS 66 HB2 0.02 0.08 0.15 -0.04 1.87 2.08 2kw5A20 LYS 66 HB3 0.01 -0.05 -0.00 -0.04 1.79 1.71 2kw5A20 LYS 66 HG2 0.01 0.35 0.12 -0.04 1.46 1.90 2kw5A20 LYS 66 HG3 0.01 -0.05 0.01 -0.04 1.46 1.39 2kw5A20 LYS 66 HD2 0.01 -0.01 -0.05 -0.04 1.69 1.60 2kw5A20 LYS 66 HD3 0.01 0.01 -0.01 -0.04 1.68 1.64 2kw5A20 LYS 66 HE2 0.01 -0.01 -0.00 -0.04 2.99 2.95 2kw5A20 LYS 66 HE3 0.01 -0.04 0.02 -0.04 2.99 2.94 2kw5A20 ALA 67 H 0.01 0.46 -0.14 -0.55 8.40 8.18 2kw5A20 ALA 67 HA 0.02 0.04 0.31 -0.75 4.34 3.95 2kw5A20 ALA 67 HB3 0.01 0.02 0.11 -0.04 1.41 1.51 2kw5A20 LYS 68 H 0.01 0.49 -0.20 -0.55 8.42 8.16 2kw5A20 LYS 68 HA 0.00 -0.01 0.26 -0.75 4.32 3.82 2kw5A20 LYS 68 HB2 0.00 0.02 0.09 -0.04 1.87 1.94 2kw5A20 LYS 68 HB3 0.01 0.05 0.13 -0.04 1.79 1.93 2kw5A20 LYS 68 HG2 0.00 0.02 -0.12 -0.04 1.46 1.32 2kw5A20 LYS 68 HG3 0.00 -0.01 0.07 -0.04 1.46 1.47 2kw5A20 LYS 68 HD2 0.01 -0.00 -0.01 -0.04 1.69 1.64 2kw5A20 LYS 68 HD3 0.00 0.03 0.00 -0.04 1.68 1.67 2kw5A20 LYS 68 HE2 0.01 0.01 0.01 -0.04 2.99 2.97 2kw5A20 LYS 68 HE3 0.00 -0.00 -0.03 -0.04 2.99 2.92 2kw5A20 GLN 69 H 0.01 0.42 -0.15 -0.55 8.47 8.20 2kw5A20 GLN 69 HA 0.01 0.07 0.47 -0.75 4.36 4.15 2kw5A20 GLN 69 HB2 0.01 -0.02 0.06 -0.04 2.15 2.16 2kw5A20 GLN 69 HB3 0.01 0.05 0.15 -0.04 2.02 2.19 2kw5A20 GLN 69 HG2 0.01 0.11 0.24 -0.04 2.40 2.73 2kw5A20 GLN 69 HG3 0.01 0.00 -0.06 -0.04 2.39 2.30 2kw5A20 GLN 69 HE21 0.01 0.16 -0.31 -0.04 6.97 6.79 2kw5A20 GLN 69 HE22 0.01 -0.05 -0.07 -0.04 7.69 7.53 2kw5A20 LEU 70 H 0.01 0.43 -0.17 -0.55 8.37 8.10 2kw5A20 LEU 70 HA 0.01 0.04 0.37 -0.75 4.35 4.02 2kw5A20 LEU 70 HB2 0.02 -0.02 0.08 -0.04 1.64 1.68 2kw5A20 LEU 70 HB3 0.02 0.11 0.08 -0.04 1.64 1.81 2kw5A20 LEU 70 HG 0.03 0.04 -0.15 -0.04 1.64 1.52 2kw5A20 LEU 70 HD13 0.02 -0.00 0.03 -0.04 0.93 0.94 2kw5A20 LEU 70 HD23 0.03 -0.03 -0.04 -0.04 0.89 0.81 2kw5A20 ALA 71 H 0.01 0.26 -0.49 -0.55 8.40 7.63 2kw5A20 ALA 71 HA 0.00 0.05 0.35 -0.75 4.34 3.98 2kw5A20 ALA 71 HB3 -0.00 0.05 -0.11 -0.04 1.41 1.30 2kw5A20 GLN 72 H 0.00 0.37 -0.04 -0.55 8.47 8.26 2kw5A20 GLN 72 HA -0.00 0.18 0.41 -0.75 4.36 4.19 2kw5A20 GLN 72 HB2 0.00 0.01 0.20 -0.04 2.15 2.32 2kw5A20 GLN 72 HB3 0.00 0.06 0.20 -0.04 2.02 2.25 2kw5A20 GLN 72 HG2 0.00 0.00 -0.09 -0.04 2.40 2.28 2kw5A20 GLN 72 HG3 0.00 0.00 0.08 -0.04 2.39 2.44 2kw5A20 GLN 72 HE21 0.00 0.02 0.01 -0.04 6.97 6.96 2kw5A20 GLN 72 HE22 0.00 -0.04 0.01 -0.04 7.69 7.62 2kw5A20 GLU 73 H 0.01 0.38 -0.31 -0.55 8.60 8.13 2kw5A20 GLU 73 HA 0.01 0.02 0.42 -0.75 4.29 3.98 2kw5A20 GLU 73 HB2 0.01 0.01 0.09 -0.04 2.09 2.15 2kw5A20 GLU 73 HB3 0.01 0.11 0.09 -0.04 1.99 2.17 2kw5A20 GLU 73 HG2 0.01 0.04 -0.13 -0.04 2.34 2.22 2kw5A20 GLU 73 HG3 0.01 -0.03 0.04 -0.04 2.34 2.32 2kw5A20 LYS 74 H 0.01 0.33 -0.35 -0.55 8.42 7.86 2kw5A20 LYS 74 HA 0.01 0.04 0.49 -0.75 4.32 4.11 2kw5A20 LYS 74 HB2 0.02 0.03 0.10 -0.04 1.87 1.97 2kw5A20 LYS 74 HB3 0.00 0.05 0.08 -0.04 1.79 1.89 2kw5A20 LYS 74 HG2 0.01 0.04 0.06 -0.04 1.46 1.52 2kw5A20 LYS 74 HG3 0.03 -0.04 0.06 -0.04 1.46 1.47 2kw5A20 LYS 74 HD2 0.05 -0.07 -0.07 -0.04 1.69 1.56 2kw5A20 LYS 74 HD3 0.02 0.06 -0.11 -0.04 1.68 1.61 2kw5A20 LYS 74 HE2 0.14 -0.10 -0.08 -0.04 2.99 2.91 2kw5A20 LYS 74 HE3 0.02 0.06 -0.03 -0.04 2.99 3.01 2kw5A20 GLY 75 H 0.00 0.20 -0.58 -0.55 8.43 7.51 2kw5A20 GLY 75 HA2 0.00 0.04 0.29 -0.51 4.01 3.83 2kw5A20 GLY 75 HA3 0.01 0.03 0.49 -0.51 4.01 4.03 2kw5A20 VAL 76 H -0.01 0.47 0.01 -0.55 8.24 8.16 2kw5A20 VAL 76 HA -0.04 0.14 0.57 -0.75 4.13 4.05 2kw5A20 VAL 76 HB -0.07 -0.04 -0.04 -0.04 2.12 1.93 2kw5A20 VAL 76 HG13 -0.07 0.03 -0.24 -0.04 0.97 0.66 2kw5A20 VAL 76 HG23 -0.03 -0.01 -0.17 -0.04 0.95 0.69 2kw5A20 LYS 77 H -0.04 0.28 0.07 -0.55 8.42 8.17 2kw5A20 LYS 77 HA -0.01 0.07 0.71 -0.75 4.32 4.33 2kw5A20 LYS 77 HB2 -0.01 0.04 -0.19 -0.04 1.87 1.67 2kw5A20 LYS 77 HB3 -0.02 0.00 -0.02 -0.04 1.79 1.71 2kw5A20 LYS 77 HG2 -0.01 0.30 -0.05 -0.04 1.46 1.67 2kw5A20 LYS 77 HG3 -0.00 -0.08 0.13 -0.04 1.46 1.46 2kw5A20 LYS 77 HD2 -0.00 -0.02 -0.02 -0.04 1.69 1.60 2kw5A20 LYS 77 HD3 -0.00 -0.02 -0.05 -0.04 1.68 1.56 2kw5A20 LYS 77 HE2 0.01 0.03 0.03 -0.04 2.99 3.02 2kw5A20 LYS 77 HE3 0.00 -0.04 0.04 -0.04 2.99 2.95 2kw5A20 ILE 78 H -0.01 0.10 0.15 -0.55 8.25 7.95 2kw5A20 ILE 78 HA -0.02 0.26 0.80 -0.75 4.18 4.47 2kw5A20 ILE 78 HB -0.00 -0.07 -0.10 -0.04 1.89 1.67 2kw5A20 ILE 78 HG12 -0.00 -0.02 -0.16 -0.04 1.49 1.27 2kw5A20 ILE 78 HG13 0.00 -0.13 -0.41 -0.04 1.21 0.62 2kw5A20 ILE 78 HG23 -0.02 -0.01 -0.03 -0.04 0.93 0.83 2kw5A20 ILE 78 HD13 -0.01 0.02 -0.27 -0.04 0.88 0.58 2kw5A20 THR 79 H -0.02 0.54 0.21 -0.55 8.28 8.46 2kw5A20 THR 79 HA 0.01 0.14 0.76 -0.75 4.39 4.54 2kw5A20 THR 79 HB 0.02 -0.03 0.05 -0.04 4.32 4.32 2kw5A20 THR 79 HG23 0.06 0.00 -0.10 -0.04 1.22 1.15 2kw5A20 THR 80 H 0.01 0.19 0.04 -0.55 8.28 7.97 2kw5A20 THR 80 HA -0.01 0.14 0.54 -0.75 4.39 4.30 2kw5A20 THR 80 HB 0.00 -0.01 -0.01 -0.04 4.32 4.27 2kw5A20 THR 80 HG23 -0.00 0.01 -0.04 -0.04 1.22 1.15 2kw5A20 VAL 81 H -0.01 0.69 0.34 -0.55 8.24 8.71 2kw5A20 VAL 81 HA 0.03 0.13 0.75 -0.75 4.13 4.29 2kw5A20 VAL 81 HB 0.03 -0.04 -0.07 -0.04 2.12 2.00 2kw5A20 VAL 81 HG13 0.16 -0.01 -0.28 -0.04 0.97 0.80 2kw5A20 VAL 81 HG23 0.01 0.03 -0.21 -0.04 0.95 0.75 2kw5A20 GLN 82 H 0.02 0.23 0.03 -0.55 8.47 8.20 2kw5A20 GLN 82 HA 0.02 0.15 0.79 -0.75 4.36 4.57 2kw5A20 GLN 82 HB2 0.01 0.02 0.20 -0.04 2.15 2.34 2kw5A20 GLN 82 HB3 0.01 0.01 0.08 -0.04 2.02 2.08 2kw5A20 GLN 82 HG2 0.01 -0.02 -0.07 -0.04 2.40 2.28 2kw5A20 GLN 82 HG3 0.01 0.05 -0.08 -0.04 2.39 2.33 2kw5A20 GLN 82 HE21 0.01 -0.06 0.02 -0.04 6.97 6.89 2kw5A20 GLN 82 HE22 0.01 0.01 0.01 -0.04 7.69 7.68 2kw5A20 SER 83 H 0.05 0.31 -0.02 -0.55 8.46 8.26 2kw5A20 SER 83 HA 0.05 0.17 0.61 -0.75 4.49 4.56 2kw5A20 SER 83 HB2 0.24 0.01 -0.23 -0.04 3.95 3.93 2kw5A20 SER 83 HB3 0.28 -0.06 0.03 -0.04 3.93 4.14 2kw5A20 ASN 84 H 0.17 0.34 0.10 -0.55 8.53 8.59 2kw5A20 ASN 84 HA 0.05 0.11 0.82 -0.75 4.76 4.99 2kw5A20 ASN 84 HB2 0.06 0.02 0.10 -0.04 2.88 3.03 2kw5A20 ASN 84 HB3 0.04 -0.06 0.01 -0.04 2.79 2.74 2kw5A20 ASN 84 HD21 0.03 -0.00 -0.04 -0.04 7.03 6.98 2kw5A20 ASN 84 HD22 0.02 0.05 -0.06 -0.04 7.74 7.71 2kw5A20 LEU 85 H 0.04 0.18 0.19 -0.55 8.37 8.23 2kw5A20 LEU 85 HA 0.02 0.26 0.18 -0.75 4.35 4.05 2kw5A20 LEU 85 HB2 0.01 -0.03 0.04 -0.04 1.64 1.62 2kw5A20 LEU 85 HB3 -0.01 0.06 0.07 -0.04 1.64 1.73 2kw5A20 LEU 85 HG 0.02 -0.07 0.10 -0.04 1.64 1.65 2kw5A20 LEU 85 HD13 0.01 0.01 -0.03 -0.04 0.93 0.89 2kw5A20 LEU 85 HD23 -0.01 0.03 -0.03 -0.04 0.89 0.84 2kw5A20 ALA 86 H 0.03 -0.02 -0.50 -0.55 8.40 7.36 2kw5A20 ALA 86 HA 0.01 0.12 0.50 -0.75 4.34 4.22 2kw5A20 ALA 86 HB3 0.02 -0.00 0.01 -0.04 1.41 1.40 2kw5A20 ASP 87 H 0.07 0.29 -0.14 -0.55 8.40 8.07 2kw5A20 ASP 87 HA 0.06 0.20 0.71 -0.75 4.63 4.85 2kw5A20 ASP 87 HB2 0.05 -0.04 -0.16 -0.04 2.71 2.52 2kw5A20 ASP 87 HB3 0.09 0.00 0.05 -0.04 2.70 2.80 2kw5A20 PHE 88 H 0.13 0.28 0.13 -0.55 8.34 8.33 2kw5A20 PHE 88 HA 0.04 0.10 0.58 -0.75 4.62 4.59 2kw5A20 PHE 88 HB2 0.04 0.13 -0.24 -0.04 3.15 3.04 2kw5A20 PHE 88 HB3 0.04 -0.13 -0.04 -0.04 3.06 2.89 2kw5A20 PHE 88 HD2 0.06 -0.03 -0.18 -0.04 7.28 7.09 2kw5A20 PHE 88 HE2 0.13 -0.00 -0.16 -0.04 7.38 7.30 2kw5A20 PHE 88 HZ 0.49 0.01 -0.15 -0.04 7.32 7.64 2kw5A20 ASP 89 H -0.47 0.13 -0.06 -0.55 8.40 7.45 2kw5A20 ASP 89 HA -0.18 0.10 0.76 -0.75 4.63 4.55 2kw5A20 ASP 89 HB2 -0.11 0.04 -0.04 -0.04 2.71 2.56 2kw5A20 ASP 89 HB3 -0.07 -0.03 -0.08 -0.04 2.70 2.48 2kw5A20 ILE 90 H -0.22 0.20 0.08 -0.55 8.25 7.75 2kw5A20 ILE 90 HA -0.16 0.12 0.83 -0.75 4.18 4.21 2kw5A20 ILE 90 HB -0.06 0.13 -0.13 -0.04 1.89 1.79 2kw5A20 ILE 90 HG12 -0.09 -0.14 -0.09 -0.04 1.49 1.12 2kw5A20 ILE 90 HG13 -0.05 0.14 -0.08 -0.04 1.21 1.18 2kw5A20 ILE 90 HG23 -0.18 -0.02 -0.22 -0.04 0.93 0.47 2kw5A20 ILE 90 HD13 -0.07 -0.00 -0.17 -0.04 0.88 0.59 2kw5A20 VAL 91 H 0.31 0.17 0.13 -0.55 8.24 8.30 2kw5A20 VAL 91 HA 0.04 0.21 0.91 -0.75 4.13 4.54 2kw5A20 VAL 91 HB 0.11 0.00 0.04 -0.04 2.12 2.22 2kw5A20 VAL 91 HG13 -0.05 -0.05 0.06 -0.04 0.97 0.89 2kw5A20 VAL 91 HG23 0.16 0.01 -0.18 -0.04 0.95 0.90 2kw5A20 ALA 92 H 0.01 0.01 0.22 -0.55 8.40 8.10 2kw5A20 ALA 92 HA 0.03 0.16 0.65 -0.75 4.34 4.43 2kw5A20 ALA 92 HB3 -0.01 0.05 0.02 -0.04 1.41 1.43 2kw5A20 ASP 93 H -0.06 -0.10 0.08 -0.55 8.40 7.77 2kw5A20 ASP 93 HA -0.07 0.17 0.31 -0.75 4.63 4.28 2kw5A20 ASP 93 HB2 -0.06 0.01 0.09 -0.04 2.71 2.71 2kw5A20 ASP 93 HB3 -0.10 -0.08 0.10 -0.04 2.70 2.57 2kw5A20 ALA 94 H -0.33 -0.06 -0.17 -0.55 8.40 7.30 2kw5A20 ALA 94 HA -0.46 0.09 0.22 -0.75 4.34 3.44 2kw5A20 ALA 94 HB3 -1.25 -0.01 -0.01 -0.04 1.41 0.10 2kw5A20 TRP 95 H -0.22 0.16 -0.45 -0.55 7.97 6.90 2kw5A20 TRP 95 HA -0.01 0.07 0.75 -0.75 4.62 4.67 2kw5A20 TRP 95 HB2 -0.04 0.12 -0.04 -0.04 3.23 3.23 2kw5A20 TRP 95 HB3 -0.03 0.07 -0.06 -0.04 3.23 3.18 2kw5A20 TRP 95 HD1 -0.05 0.24 0.12 -0.04 7.22 7.48 2kw5A20 TRP 95 HE1 0.02 -0.07 -0.06 -0.04 10.20 10.05 2kw5A20 TRP 95 HE3 0.01 0.07 -0.16 -0.04 7.59 7.46 2kw5A20 TRP 95 HZ2 0.28 -0.04 -0.11 -0.04 7.44 7.53 2kw5A20 TRP 95 HZ3 0.03 0.01 -0.08 -0.04 7.13 7.05 2kw5A20 TRP 95 HH2 0.07 -0.02 -0.10 -0.04 7.19 7.10 2kw5A20 GLU 96 H 0.15 0.11 0.23 -0.55 8.60 8.54 2kw5A20 GLU 96 HA 0.02 0.11 0.49 -0.75 4.29 4.16 2kw5A20 GLU 96 HB2 0.02 -0.04 0.15 -0.04 2.09 2.18 2kw5A20 GLU 96 HB3 0.01 -0.09 0.22 -0.04 1.99 2.09 2kw5A20 GLU 96 HG2 -0.04 0.08 -0.23 -0.04 2.34 2.12 2kw5A20 GLU 96 HG3 -0.02 0.03 0.03 -0.04 2.34 2.34 2kw5A20 GLY 97 H 0.04 0.46 0.18 -0.55 8.43 8.56 2kw5A20 GLY 97 HA2 -0.03 0.24 0.63 -0.51 4.01 4.35 2kw5A20 GLY 97 HA3 -0.05 0.05 0.30 -0.51 4.01 3.81 2kw5A20 ILE 98 H -0.05 0.40 0.29 -0.55 8.25 8.34 2kw5A20 ILE 98 HA -0.10 -0.07 0.86 -0.75 4.18 4.11 2kw5A20 ILE 98 HB -0.08 -0.06 0.08 -0.04 1.89 1.78 2kw5A20 ILE 98 HG12 -0.04 -0.02 0.03 -0.04 1.49 1.41 2kw5A20 ILE 98 HG13 0.02 0.07 -0.49 -0.04 1.21 0.77 2kw5A20 ILE 98 HG23 -0.17 0.01 -0.07 -0.04 0.93 0.67 2kw5A20 ILE 98 HD13 -0.00 0.03 -0.04 -0.04 0.88 0.82 2kw5A20 VAL 99 H -0.11 0.59 0.17 -0.55 8.24 8.35 2kw5A20 VAL 99 HA -0.07 0.26 0.55 -0.75 4.13 4.12 2kw5A20 VAL 99 HB -0.02 0.12 -0.01 -0.04 2.12 2.17 2kw5A20 VAL 99 HG13 -0.03 -0.04 -0.16 -0.04 0.97 0.71 2kw5A20 VAL 99 HG23 0.01 -0.03 -0.12 -0.04 0.95 0.77 2kw5A20 SER 100 H -0.10 0.59 0.17 -0.55 8.46 8.58 2kw5A20 SER 100 HA -0.13 0.10 1.03 -0.75 4.49 4.73 2kw5A20 SER 100 HB2 -0.54 -0.10 0.28 -0.04 3.95 3.54 2kw5A20 SER 100 HB3 -0.43 0.01 0.08 -0.04 3.93 3.56 2kw5A20 ILE 101 H -0.01 0.23 -0.01 -0.55 8.25 7.92 2kw5A20 ILE 101 HA -0.05 0.04 0.60 -0.75 4.18 4.02 2kw5A20 ILE 101 HB 0.08 0.03 0.12 -0.04 1.89 2.09 2kw5A20 ILE 101 HG12 0.02 0.05 -0.09 -0.04 1.49 1.43 2kw5A20 ILE 101 HG13 0.07 -0.04 -0.05 -0.04 1.21 1.14 2kw5A20 ILE 101 HG23 0.23 -0.00 0.02 -0.04 0.93 1.14 2kw5A20 ILE 101 HD13 0.06 0.02 -0.07 -0.04 0.88 0.84 2kw5A20 PHE 102 H -0.30 0.09 0.24 -0.55 8.34 7.81 2kw5A20 PHE 102 HA 0.15 0.20 0.50 -0.75 4.62 4.71 2kw5A20 PHE 102 HB2 0.09 -0.13 0.18 -0.04 3.15 3.25 2kw5A20 PHE 102 HB3 0.10 0.05 0.07 -0.04 3.06 3.23 2kw5A20 PHE 102 HD2 0.03 -0.14 0.02 -0.04 7.28 7.15 2kw5A20 PHE 102 HE2 -0.06 0.01 -0.14 -0.04 7.38 7.15 2kw5A20 PHE 102 HZ -0.14 -0.02 -0.06 -0.04 7.32 7.06 2kw5A20 CYS 103 H 0.27 0.18 0.02 -0.55 8.50 8.42 2kw5A20 CYS 103 HA 0.19 0.06 0.52 -0.75 4.58 4.60 2kw5A20 CYS 103 HB2 0.26 0.07 -0.07 -0.04 2.97 3.19 2kw5A20 CYS 103 HB3 0.39 -0.01 0.10 -0.04 2.97 3.40 2kw5A20 HIS 104 H 0.23 0.21 0.16 -0.55 8.41 8.47 2kw5A20 HIS 104 HA 0.12 0.22 0.88 -0.75 4.63 5.10 2kw5A20 HIS 104 HB2 0.12 0.02 0.02 -0.04 3.26 3.39 2kw5A20 HIS 104 HB3 0.08 -0.01 0.18 -0.04 3.20 3.40 2kw5A20 HIS 104 HD2 0.08 0.16 0.02 -0.04 6.97 7.19 2kw5A20 HIS 104 HE1 0.01 -0.04 -0.07 -0.04 7.75 7.61 2kw5A20 LEU 105 H -0.03 0.31 0.00 -0.55 8.37 8.10 2kw5A20 LEU 105 HA -0.10 0.18 0.82 -0.75 4.35 4.49 2kw5A20 LEU 105 HB2 -0.03 0.02 -0.12 -0.04 1.64 1.47 2kw5A20 LEU 105 HB3 -0.05 -0.05 -0.09 -0.04 1.64 1.41 2kw5A20 LEU 105 HG 0.06 -0.06 -0.37 -0.04 1.64 1.23 2kw5A20 LEU 105 HD13 0.01 0.01 -0.16 -0.04 0.93 0.75 2kw5A20 LEU 105 HD23 0.02 0.05 -0.10 -0.04 0.89 0.82 2kw5A20 PRO 106 HA -0.08 0.13 0.60 -0.51 4.44 4.57 2kw5A20 PRO 106 HB2 -0.03 -0.09 0.03 -0.04 2.28 2.14 2kw5A20 PRO 106 HB3 -0.04 0.08 0.12 -0.04 2.02 2.14 2kw5A20 PRO 106 HG2 -0.03 0.07 0.08 -0.04 2.03 2.11 2kw5A20 PRO 106 HG3 -0.06 0.09 0.05 -0.04 2.03 2.08 2kw5A20 PRO 106 HD2 -0.05 0.02 0.21 -0.04 3.68 3.82 2kw5A20 PRO 106 HD3 -0.09 0.25 0.19 -0.04 3.65 3.96 2kw5A20 SER 107 H -0.03 0.20 0.08 -0.55 8.46 8.17 2kw5A20 SER 107 HA -0.02 0.09 0.28 -0.75 4.49 4.08 2kw5A20 SER 107 HB2 -0.00 0.06 0.09 -0.04 3.95 4.06 2kw5A20 SER 107 HB3 -0.01 -0.01 0.05 -0.04 3.93 3.92 2kw5A20 SER 108 H -0.03 0.01 -0.47 -0.55 8.46 7.43 2kw5A20 SER 108 HA -0.02 0.13 0.41 -0.75 4.49 4.26 2kw5A20 SER 108 HB2 -0.01 0.08 0.00 -0.04 3.95 3.98 2kw5A20 SER 108 HB3 -0.01 0.02 0.06 -0.04 3.93 3.96 2kw5A20 LEU 109 H -0.05 0.26 -0.06 -0.55 8.37 7.97 2kw5A20 LEU 109 HA -0.05 0.16 0.31 -0.75 4.35 4.02 2kw5A20 LEU 109 HB2 -0.05 0.01 0.04 -0.04 1.64 1.60 2kw5A20 LEU 109 HB3 -0.03 0.04 -0.02 -0.04 1.64 1.59 2kw5A20 LEU 109 HG -0.02 -0.06 0.01 -0.04 1.64 1.53 2kw5A20 LEU 109 HD13 -0.01 -0.01 -0.01 -0.04 0.93 0.86 2kw5A20 LEU 109 HD23 -0.01 0.04 -0.24 -0.04 0.89 0.63 2kw5A20 ARG 110 H -0.09 0.37 -0.34 -0.55 8.46 7.84 2kw5A20 ARG 110 HA -0.30 0.06 0.31 -0.75 4.34 3.66 2kw5A20 ARG 110 HB2 -0.06 0.09 -0.26 -0.04 1.90 1.63 2kw5A20 ARG 110 HB3 -0.07 -0.12 -0.09 -0.04 1.80 1.48 2kw5A20 ARG 110 HG2 -0.01 0.03 -0.24 -0.04 1.67 1.41 2kw5A20 ARG 110 HG3 0.09 -0.01 -0.11 -0.04 1.67 1.61 2kw5A20 ARG 110 HD2 0.07 0.07 -0.10 -0.04 3.22 3.22 2kw5A20 ARG 110 HD3 0.03 -0.08 -0.06 -0.04 3.22 3.06 2kw5A20 GLN 111 H -0.11 0.37 0.01 -0.55 8.47 8.19 2kw5A20 GLN 111 HA -0.06 0.03 0.39 -0.75 4.36 3.97 2kw5A20 GLN 111 HB2 -0.01 -0.05 0.14 -0.04 2.15 2.19 2kw5A20 GLN 111 HB3 -0.03 0.12 0.09 -0.04 2.02 2.16 2kw5A20 GLN 111 HG2 0.01 0.03 -0.04 -0.04 2.40 2.36 2kw5A20 GLN 111 HG3 0.03 -0.03 0.06 -0.04 2.39 2.41 2kw5A20 GLN 111 HE21 0.00 0.00 0.01 -0.04 6.97 6.95 2kw5A20 GLN 111 HE22 0.00 -0.03 -0.01 -0.04 7.69 7.61 2kw5A20 GLN 112 H -0.13 0.07 -0.79 -0.55 8.47 7.07 2kw5A20 GLN 112 HA -0.03 0.04 0.33 -0.75 4.36 3.95 2kw5A20 GLN 112 HB2 -0.03 0.11 0.11 -0.04 2.15 2.30 2kw5A20 GLN 112 HB3 -0.06 -0.01 0.10 -0.04 2.02 2.01 2kw5A20 GLN 112 HG2 -0.02 -0.02 -0.25 -0.04 2.40 2.08 2kw5A20 GLN 112 HG3 -0.01 -0.04 0.00 -0.04 2.39 2.31 2kw5A20 GLN 112 HE21 0.00 -0.10 -0.18 -0.04 6.97 6.66 2kw5A20 GLN 112 HE22 0.01 -0.13 -0.13 -0.04 7.69 7.41 2kw5A20 LEU 113 H -0.22 0.34 -0.24 -0.55 8.37 7.71 2kw5A20 LEU 113 HA -0.02 0.00 0.22 -0.75 4.35 3.80 2kw5A20 LEU 113 HB2 -0.07 0.12 0.14 -0.04 1.64 1.79 2kw5A20 LEU 113 HB3 -0.24 0.06 0.16 -0.04 1.64 1.58 2kw5A20 LEU 113 HG 0.20 -0.02 -0.20 -0.04 1.64 1.57 2kw5A20 LEU 113 HD13 -0.01 -0.01 -0.05 -0.04 0.93 0.81 2kw5A20 LEU 113 HD23 0.23 -0.02 -0.07 -0.04 0.89 0.98 2kw5A20 TYR 114 H -0.26 0.34 -0.17 -0.55 8.29 7.65 2kw5A20 TYR 114 HA 0.17 -0.03 0.13 -0.75 4.56 4.08 2kw5A20 TYR 114 HB2 0.06 0.09 0.08 -0.04 3.06 3.25 2kw5A20 TYR 114 HB3 0.09 0.16 0.04 -0.04 2.98 3.23 2kw5A20 TYR 114 HD2 0.12 -0.03 -0.08 -0.04 7.15 7.12 2kw5A20 TYR 114 HE2 0.06 -0.06 -0.11 -0.04 6.85 6.69 2kw5A20 PRO 115 HA 0.16 0.07 0.62 -0.51 4.44 4.79 2kw5A20 PRO 115 HB2 0.08 0.00 0.01 -0.04 2.28 2.34 2kw5A20 PRO 115 HB3 0.08 0.01 0.14 -0.04 2.02 2.20 2kw5A20 PRO 115 HG2 0.05 0.20 0.06 -0.04 2.03 2.30 2kw5A20 PRO 115 HG3 0.05 0.02 0.09 -0.04 2.03 2.14 2kw5A20 PRO 115 HD2 0.06 0.05 -0.37 -0.04 3.68 3.38 2kw5A20 PRO 115 HD3 0.12 0.10 0.10 -0.04 3.65 3.92 2kw5A20 LYS 116 H 0.10 0.42 -0.29 -0.55 8.42 8.10 2kw5A20 LYS 116 HA 0.06 0.04 0.58 -0.75 4.32 4.24 2kw5A20 LYS 116 HB2 0.03 0.16 0.10 -0.04 1.87 2.12 2kw5A20 LYS 116 HB3 0.01 -0.08 0.10 -0.04 1.79 1.79 2kw5A20 LYS 116 HG2 0.03 -0.05 -0.02 -0.04 1.46 1.38 2kw5A20 LYS 116 HG3 0.03 0.21 0.04 -0.04 1.46 1.71 2kw5A20 LYS 116 HD2 0.02 0.00 -0.06 -0.04 1.69 1.61 2kw5A20 LYS 116 HD3 0.00 -0.00 -0.10 -0.04 1.68 1.53 2kw5A20 LYS 116 HE2 -0.01 -0.04 0.00 -0.04 2.99 2.90 2kw5A20 LYS 116 HE3 0.02 0.01 -0.03 -0.04 2.99 2.95 2kw5A20 VAL 117 H 0.17 0.31 -0.16 -0.55 8.24 8.01 2kw5A20 VAL 117 HA 0.05 0.06 0.75 -0.75 4.13 4.24 2kw5A20 VAL 117 HB 0.29 0.13 0.03 -0.04 2.12 2.52 2kw5A20 VAL 117 HG13 0.16 -0.01 -0.10 -0.04 0.97 0.98 2kw5A20 VAL 117 HG23 0.32 0.05 -0.19 -0.04 0.95 1.09 2kw5A20 TYR 118 H 0.25 0.53 0.04 -0.55 8.29 8.56 2kw5A20 TYR 118 HA 0.03 -0.01 0.38 -0.75 4.56 4.20 2kw5A20 TYR 118 HB2 0.07 0.17 0.23 -0.04 3.06 3.48 2kw5A20 TYR 118 HB3 0.05 -0.01 0.25 -0.04 2.98 3.23 2kw5A20 TYR 118 HD2 0.02 -0.04 0.03 -0.04 7.15 7.11 2kw5A20 TYR 118 HE2 0.01 -0.08 0.01 -0.04 6.85 6.75 2kw5A20 GLN 119 H 0.14 0.40 -0.02 -0.55 8.47 8.45 2kw5A20 GLN 119 HA -0.15 0.10 0.60 -0.75 4.36 4.16 2kw5A20 GLN 119 HB2 0.05 0.05 0.12 -0.04 2.15 2.33 2kw5A20 GLN 119 HB3 -0.00 -0.05 0.04 -0.04 2.02 1.97 2kw5A20 GLN 119 HG2 0.04 -0.02 0.01 -0.04 2.40 2.39 2kw5A20 GLN 119 HG3 0.22 0.00 0.09 -0.04 2.39 2.66 2kw5A20 GLN 119 HE21 0.13 0.26 0.10 -0.04 6.97 7.41 2kw5A20 GLN 119 HE22 0.08 -0.07 0.01 -0.04 7.69 7.67 2kw5A20 GLY 120 H 0.03 0.02 -0.50 -0.55 8.43 7.43 2kw5A20 GLY 120 HA2 -0.00 -0.05 0.21 -0.51 4.01 3.66 2kw5A20 GLY 120 HA3 0.01 0.16 0.27 -0.51 4.01 3.93 2kw5A20 LEU 121 H 0.00 0.20 -0.24 -0.55 8.37 7.79 2kw5A20 LEU 121 HA -0.02 -0.06 0.45 -0.75 4.35 3.97 2kw5A20 LEU 121 HB2 -0.02 -0.16 0.09 -0.04 1.64 1.51 2kw5A20 LEU 121 HB3 -0.02 0.26 0.06 -0.04 1.64 1.90 2kw5A20 LEU 121 HG -0.05 0.18 -0.31 -0.04 1.64 1.42 2kw5A20 LEU 121 HD13 -0.09 -0.06 -0.11 -0.04 0.93 0.63 2kw5A20 LEU 121 HD23 -0.05 0.00 -0.15 -0.04 0.89 0.65 2kw5A20 LYS 122 H 0.01 0.13 0.04 -0.55 8.42 8.04 2kw5A20 LYS 122 HA -0.02 0.12 0.62 -0.75 4.32 4.28 2kw5A20 LYS 122 HB2 0.01 -0.05 0.24 -0.04 1.87 2.03 2kw5A20 LYS 122 HB3 0.02 -0.00 0.04 -0.04 1.79 1.80 2kw5A20 LYS 122 HG2 -0.01 0.11 -0.13 -0.04 1.46 1.39 2kw5A20 LYS 122 HG3 -0.01 -0.12 0.11 -0.04 1.46 1.39 2kw5A20 LYS 122 HD2 -0.00 0.24 0.17 -0.04 1.69 2.06 2kw5A20 LYS 122 HD3 0.01 0.19 0.25 -0.04 1.68 2.10 2kw5A20 LYS 122 HE2 -0.01 -0.12 0.06 -0.04 2.99 2.88 2kw5A20 LYS 122 HE3 -0.01 -0.11 0.06 -0.04 2.99 2.89 2kw5A20 PRO 123 HA -0.04 -0.08 0.52 -0.51 4.44 4.33 2kw5A20 PRO 123 HB2 0.04 0.03 0.10 -0.04 2.28 2.40 2kw5A20 PRO 123 HB3 0.03 0.00 0.16 -0.04 2.02 2.17 2kw5A20 PRO 123 HG2 0.02 0.02 0.16 -0.04 2.03 2.19 2kw5A20 PRO 123 HG3 0.02 0.01 0.13 -0.04 2.03 2.15 2kw5A20 PRO 123 HD2 -0.02 0.07 0.26 -0.04 3.68 3.96 2kw5A20 PRO 123 HD3 -0.03 0.22 0.17 -0.04 3.65 3.96 2kw5A20 GLY 124 H -0.06 0.00 0.35 -0.55 8.43 8.18 2kw5A20 GLY 124 HA2 -0.09 -0.01 0.38 -0.51 4.01 3.78 2kw5A20 GLY 124 HA3 -0.08 0.23 0.81 -0.51 4.01 4.46 2kw5A20 GLY 125 H -0.06 0.13 0.27 -0.55 8.43 8.23 2kw5A20 GLY 125 HA2 -0.06 0.17 1.11 -0.51 4.01 4.71 2kw5A20 GLY 125 HA3 -0.07 0.01 0.35 -0.51 4.01 3.79 2kw5A20 VAL 126 H -0.05 0.64 0.27 -0.55 8.24 8.55 2kw5A20 VAL 126 HA -0.02 0.36 0.85 -0.75 4.13 4.57 2kw5A20 VAL 126 HB 0.02 -0.01 0.07 -0.04 2.12 2.17 2kw5A20 VAL 126 HG13 -0.03 0.04 -0.08 -0.04 0.97 0.86 2kw5A20 VAL 126 HG23 -0.00 -0.02 0.03 -0.04 0.95 0.91 2kw5A20 PHE 127 H 0.14 0.33 0.18 -0.55 8.34 8.44 2kw5A20 PHE 127 HA 0.04 0.09 0.90 -0.75 4.62 4.89 2kw5A20 PHE 127 HB2 -0.03 0.07 -0.05 -0.04 3.15 3.10 2kw5A20 PHE 127 HB3 0.32 -0.05 0.07 -0.04 3.06 3.36 2kw5A20 PHE 127 HD2 0.09 0.06 -0.11 -0.04 7.28 7.27 2kw5A20 PHE 127 HE2 0.18 -0.01 -0.10 -0.04 7.38 7.41 2kw5A20 PHE 127 HZ 0.24 -0.01 -0.08 -0.04 7.32 7.42 2kw5A20 ILE 128 H 0.20 0.60 0.20 -0.55 8.25 8.70 2kw5A20 ILE 128 HA 0.08 0.32 0.97 -0.75 4.18 4.80 2kw5A20 ILE 128 HB -0.29 -0.12 0.26 -0.04 1.89 1.70 2kw5A20 ILE 128 HG12 0.08 0.07 -0.12 -0.04 1.49 1.48 2kw5A20 ILE 128 HG13 0.03 -0.01 -0.23 -0.04 1.21 0.96 2kw5A20 ILE 128 HG23 -0.38 -0.01 -0.03 -0.04 0.93 0.46 2kw5A20 ILE 128 HD13 0.03 -0.02 -0.08 -0.04 0.88 0.77 2kw5A20 LEU 129 H -0.02 0.69 0.40 -0.55 8.37 8.88 2kw5A20 LEU 129 HA 0.06 0.03 0.88 -0.75 4.35 4.56 2kw5A20 LEU 129 HB2 -0.15 0.01 0.02 -0.04 1.64 1.49 2kw5A20 LEU 129 HB3 -0.08 0.04 -0.02 -0.04 1.64 1.54 2kw5A20 LEU 129 HG 0.06 -0.06 -0.52 -0.04 1.64 1.07 2kw5A20 LEU 129 HD13 -0.63 0.02 -0.12 -0.04 0.93 0.16 2kw5A20 LEU 129 HD23 0.19 0.00 0.01 -0.04 0.89 1.05 2kw5A20 GLU 130 H 0.23 0.19 0.10 -0.55 8.60 8.56 2kw5A20 GLU 130 HA -0.15 0.43 0.67 -0.75 4.29 4.49 2kw5A20 GLU 130 HB2 0.05 -0.00 0.04 -0.04 2.09 2.14 2kw5A20 GLU 130 HB3 -0.19 -0.06 0.15 -0.04 1.99 1.86 2kw5A20 GLU 130 HG2 -0.76 0.10 -0.11 -0.04 2.34 1.53 2kw5A20 GLU 130 HG3 -0.29 -0.02 -0.06 -0.04 2.34 1.93 2kw5A20 GLY 131 H -0.20 0.31 0.16 -0.55 8.43 8.15 2kw5A20 GLY 131 HA2 -0.06 0.11 0.74 -0.51 4.01 4.28 2kw5A20 GLY 131 HA3 -0.12 0.08 0.32 -0.51 4.01 3.78 2kw5A20 PHE 132 H 0.12 0.16 0.15 -0.55 8.34 8.22 2kw5A20 PHE 132 HA -0.02 0.18 0.87 -0.75 4.62 4.90 2kw5A20 PHE 132 HB2 0.00 -0.02 0.04 -0.04 3.15 3.13 2kw5A20 PHE 132 HB3 -0.00 -0.08 0.11 -0.04 3.06 3.04 2kw5A20 PHE 132 HD2 -0.01 -0.05 -0.02 -0.04 7.28 7.16 2kw5A20 PHE 132 HE2 -0.04 -0.00 -0.01 -0.04 7.38 7.29 2kw5A20 PHE 132 HZ -0.10 -0.03 -0.02 -0.04 7.32 7.12 2kw5A20 ALA 133 H 0.18 0.02 0.18 -0.55 8.40 8.23 2kw5A20 ALA 133 HA 0.03 0.17 0.47 -0.75 4.34 4.25 2kw5A20 ALA 133 HB3 0.05 -0.08 0.22 -0.04 1.41 1.56 2kw5A20 PRO 134 HA -0.00 0.14 0.57 -0.51 4.44 4.64 2kw5A20 PRO 134 HB2 -0.03 0.02 -0.02 -0.04 2.28 2.21 2kw5A20 PRO 134 HB3 -0.02 0.09 0.11 -0.04 2.02 2.16 2kw5A20 PRO 134 HG2 -0.02 0.06 0.08 -0.04 2.03 2.12 2kw5A20 PRO 134 HG3 -0.01 0.09 0.10 -0.04 2.03 2.17 2kw5A20 PRO 134 HD2 -0.00 0.04 0.25 -0.04 3.68 3.93 2kw5A20 PRO 134 HD3 0.00 0.19 0.20 -0.04 3.65 4.00 2kw5A20 GLU 135 H -0.01 0.09 -0.16 -0.55 8.60 7.96 2kw5A20 GLU 135 HA -0.12 0.16 0.55 -0.75 4.29 4.12 2kw5A20 GLU 135 HB2 -0.03 0.02 0.07 -0.04 2.09 2.11 2kw5A20 GLU 135 HB3 0.01 -0.06 0.05 -0.04 1.99 1.95 2kw5A20 GLU 135 HG2 -0.04 0.02 -0.14 -0.04 2.34 2.14 2kw5A20 GLU 135 HG3 -0.12 0.02 0.04 -0.04 2.34 2.24 2kw5A20 GLN 136 H 0.02 0.33 -0.41 -0.55 8.47 7.86 2kw5A20 GLN 136 HA 0.09 0.05 0.07 -0.75 4.36 3.81 2kw5A20 GLN 136 HB2 0.10 -0.13 0.11 -0.04 2.15 2.19 2kw5A20 GLN 136 HB3 0.05 0.07 0.10 -0.04 2.02 2.20 2kw5A20 GLN 136 HG2 -0.33 -0.01 -0.04 -0.04 2.40 1.98 2kw5A20 GLN 136 HG3 -0.16 0.01 -0.25 -0.04 2.39 1.96 2kw5A20 GLN 136 HE21 -0.33 -0.00 -0.07 -0.04 6.97 6.52 2kw5A20 GLN 136 HE22 -0.19 0.02 -0.03 -0.04 7.69 7.45 2kw5A20 LEU 137 H 0.02 0.16 -0.02 -0.55 8.37 7.99 2kw5A20 LEU 137 HA 0.09 0.18 0.65 -0.75 4.35 4.51 2kw5A20 LEU 137 HB2 0.03 -0.02 -0.08 -0.04 1.64 1.53 2kw5A20 LEU 137 HB3 0.04 -0.06 0.07 -0.04 1.64 1.64 2kw5A20 LEU 137 HG 0.03 0.09 0.05 -0.04 1.64 1.78 2kw5A20 LEU 137 HD13 0.06 -0.07 0.08 -0.04 0.93 0.96 2kw5A20 LEU 137 HD23 -0.07 0.02 -0.14 -0.04 0.89 0.65 2kw5A20 GLN 138 H -0.05 0.14 -0.60 -0.55 8.47 7.42 2kw5A20 GLN 138 HA -0.05 0.08 0.05 -0.75 4.36 3.69 2kw5A20 GLN 138 HB2 -0.11 0.23 0.08 -0.04 2.15 2.31 2kw5A20 GLN 138 HB3 -0.31 0.10 0.03 -0.04 2.02 1.80 2kw5A20 GLN 138 HG2 -0.15 -0.01 -0.13 -0.04 2.40 2.07 2kw5A20 GLN 138 HG3 -0.08 -0.01 0.02 -0.04 2.39 2.27 2kw5A20 GLN 138 HE21 -0.07 0.01 -0.03 -0.04 6.97 6.84 2kw5A20 GLN 138 HE22 -0.07 -0.06 -0.05 -0.04 7.69 7.48 2kw5A20 TYR 139 H -0.11 0.09 -0.52 -0.55 8.29 7.20 2kw5A20 TYR 139 HA -0.01 -0.01 0.34 -0.75 4.56 4.13 2kw5A20 TYR 139 HB2 -0.02 0.02 0.02 -0.04 3.06 3.03 2kw5A20 TYR 139 HB3 -0.01 -0.03 0.05 -0.04 2.98 2.94 2kw5A20 TYR 139 HD2 -0.02 0.01 -0.04 -0.04 7.15 7.06 2kw5A20 TYR 139 HE2 -0.02 0.03 0.01 -0.04 6.85 6.83 2kw5A20 ASN 140 H 0.11 0.50 -0.02 -0.55 8.53 8.57 2kw5A20 ASN 140 HA 0.04 0.04 0.71 -0.75 4.76 4.80 2kw5A20 ASN 140 HB2 0.04 -0.07 0.08 -0.04 2.88 2.89 2kw5A20 ASN 140 HB3 0.04 0.13 0.16 -0.04 2.79 3.07 2kw5A20 ASN 140 HD21 0.02 0.11 -0.04 -0.04 7.03 7.08 2kw5A20 ASN 140 HD22 0.02 -0.25 -0.13 -0.04 7.74 7.33 2kw5A20 THR 141 H 0.01 -0.06 0.17 -0.55 8.28 7.85 2kw5A20 THR 141 HA 0.01 0.12 0.74 -0.75 4.39 4.50 2kw5A20 THR 141 HB -0.00 -0.05 0.02 -0.04 4.32 4.25 2kw5A20 THR 141 HG23 -0.01 -0.01 0.10 -0.04 1.22 1.26 2kw5A20 GLY 142 H 0.01 -0.09 0.11 -0.55 8.43 7.92 2kw5A20 GLY 142 HA2 0.01 0.08 0.39 -0.51 4.01 3.97 2kw5A20 GLY 142 HA3 0.01 -0.08 0.40 -0.51 4.01 3.83 2kw5A20 GLY 143 H 0.01 0.02 0.04 -0.55 8.43 7.96 2kw5A20 GLY 143 HA2 0.01 0.12 0.57 -0.51 4.01 4.20 2kw5A20 GLY 143 HA3 0.01 0.02 0.33 -0.51 4.01 3.85 2kw5A20 PRO 144 HA 0.03 -0.12 0.31 -0.51 4.44 4.16 2kw5A20 PRO 144 HB2 0.03 0.07 0.00 -0.04 2.28 2.35 2kw5A20 PRO 144 HB3 0.04 -0.01 0.03 -0.04 2.02 2.04 2kw5A20 PRO 144 HG2 0.02 0.07 0.06 -0.04 2.03 2.14 2kw5A20 PRO 144 HG3 0.01 -0.02 0.07 -0.04 2.03 2.05 2kw5A20 PRO 144 HD2 0.01 0.12 0.17 -0.04 3.68 3.94 2kw5A20 PRO 144 HD3 0.01 0.12 0.14 -0.04 3.65 3.88 2kw5A20 LYS 145 H 0.06 -0.05 0.10 -0.55 8.42 7.97 2kw5A20 LYS 145 HA 0.04 -0.13 0.40 -0.75 4.32 3.88 2kw5A20 LYS 145 HB2 0.03 0.24 0.47 -0.04 1.87 2.57 2kw5A20 LYS 145 HB3 0.04 0.09 0.23 -0.04 1.79 2.10 2kw5A20 LYS 145 HG2 -0.00 -0.04 0.08 -0.04 1.46 1.46 2kw5A20 LYS 145 HG3 0.02 -0.07 -0.10 -0.04 1.46 1.27 2kw5A20 LYS 145 HD2 -0.00 0.02 0.06 -0.04 1.69 1.72 2kw5A20 LYS 145 HD3 -0.03 -0.02 0.01 -0.04 1.68 1.60 2kw5A20 LYS 145 HE2 0.01 -0.02 -0.02 -0.04 2.99 2.91 2kw5A20 LYS 145 HE3 0.01 0.06 0.07 -0.04 2.99 3.09 2kw5A20 ASP 146 H 0.04 -0.22 0.12 -0.55 8.40 7.80 2kw5A20 ASP 146 HA 0.02 0.40 0.34 -0.75 4.63 4.64 2kw5A20 ASP 146 HB2 0.01 0.14 0.03 -0.04 2.71 2.86 2kw5A20 ASP 146 HB3 0.02 0.40 -0.56 -0.04 2.70 2.51 2kw5A20 LEU 147 H 0.03 0.04 0.09 -0.55 8.37 7.99 2kw5A20 LEU 147 HA 0.05 -0.03 0.34 -0.75 4.35 3.95 2kw5A20 LEU 147 HB2 0.01 0.24 0.15 -0.04 1.64 2.00 2kw5A20 LEU 147 HB3 0.03 0.03 0.18 -0.04 1.64 1.84 2kw5A20 LEU 147 HG 0.02 -0.18 -0.20 -0.04 1.64 1.23 2kw5A20 LEU 147 HD13 -0.01 0.06 -0.20 -0.04 0.93 0.73 2kw5A20 LEU 147 HD23 0.01 -0.03 -0.03 -0.04 0.89 0.81 2kw5A20 ASP 148 H 0.03 0.11 -0.81 -0.55 8.40 7.18 2kw5A20 ASP 148 HA 0.03 0.22 0.59 -0.75 4.63 4.71 2kw5A20 ASP 148 HB2 0.01 0.17 0.03 -0.04 2.71 2.88 2kw5A20 ASP 148 HB3 0.02 -0.10 -0.04 -0.04 2.70 2.54 2kw5A20 LEU 149 H 0.05 -0.08 -0.15 -0.55 8.37 7.64 2kw5A20 LEU 149 HA 0.00 0.20 0.53 -0.75 4.35 4.32 2kw5A20 LEU 149 HB2 0.17 -0.06 -0.04 -0.04 1.64 1.67 2kw5A20 LEU 149 HB3 0.13 0.10 0.04 -0.04 1.64 1.87 2kw5A20 LEU 149 HG 0.05 -0.13 0.05 -0.04 1.64 1.56 2kw5A20 LEU 149 HD13 0.20 0.02 0.01 -0.04 0.93 1.12 2kw5A20 LEU 149 HD23 -0.08 0.03 -0.07 -0.04 0.89 0.74 2kw5A20 LEU 150 H 0.08 0.16 -0.82 -0.55 8.37 7.24 2kw5A20 LEU 150 HA 0.17 0.18 0.77 -0.75 4.35 4.71 2kw5A20 LEU 150 HB2 0.07 0.20 0.21 -0.04 1.64 2.08 2kw5A20 LEU 150 HB3 0.13 -0.10 0.08 -0.04 1.64 1.70 2kw5A20 LEU 150 HG 0.09 -0.23 0.01 -0.04 1.64 1.47 2kw5A20 LEU 150 HD13 0.11 -0.02 -0.02 -0.04 0.93 0.96 2kw5A20 LEU 150 HD23 0.23 0.01 -0.11 -0.04 0.89 0.98 2kw5A20 PRO 151 HA 0.02 0.07 0.69 -0.51 4.44 4.71 2kw5A20 PRO 151 HB2 -0.03 0.02 0.01 -0.04 2.28 2.24 2kw5A20 PRO 151 HB3 0.13 0.04 0.03 -0.04 2.02 2.19 2kw5A20 PRO 151 HG2 0.02 -0.04 0.10 -0.04 2.03 2.07 2kw5A20 PRO 151 HG3 0.12 0.09 0.08 -0.04 2.03 2.28 2kw5A20 PRO 151 HD2 0.12 0.01 0.25 -0.04 3.68 4.01 2kw5A20 PRO 151 HD3 0.12 0.41 0.06 -0.04 3.65 4.20 2kw5A20 LYS 152 H -0.05 0.13 0.17 -0.55 8.42 8.12 2kw5A20 LYS 152 HA -0.10 0.17 0.48 -0.75 4.32 4.12 2kw5A20 LYS 152 HB2 -0.06 -0.07 0.11 -0.04 1.87 1.80 2kw5A20 LYS 152 HB3 -0.08 -0.08 0.13 -0.04 1.79 1.72 2kw5A20 LYS 152 HG2 -0.02 0.19 0.01 -0.04 1.46 1.61 2kw5A20 LYS 152 HG3 -0.03 0.03 0.04 -0.04 1.46 1.46 2kw5A20 LYS 152 HD2 -0.04 -0.04 -0.03 -0.04 1.69 1.55 2kw5A20 LYS 152 HD3 -0.04 -0.05 -0.15 -0.04 1.68 1.40 2kw5A20 LYS 152 HE2 0.02 0.34 0.03 -0.04 2.99 3.33 2kw5A20 LYS 152 HE3 0.03 0.03 -0.03 -0.04 2.99 2.98 2kw5A20 LEU 153 H -0.15 0.20 0.08 -0.55 8.37 7.95 2kw5A20 LEU 153 HA -0.35 0.11 0.45 -0.75 4.35 3.80 2kw5A20 LEU 153 HB2 -0.14 -0.02 0.02 -0.04 1.64 1.45 2kw5A20 LEU 153 HB3 -0.21 0.11 -0.03 -0.04 1.64 1.47 2kw5A20 LEU 153 HG -0.15 -0.05 -0.03 -0.04 1.64 1.37 2kw5A20 LEU 153 HD13 -0.12 0.02 -0.19 -0.04 0.93 0.60 2kw5A20 LEU 153 HD23 -0.30 0.01 -0.16 -0.04 0.89 0.41 2kw5A20 GLU 154 H -0.11 0.05 -0.14 -0.55 8.60 7.85 2kw5A20 GLU 154 HA -0.07 0.13 0.32 -0.75 4.29 3.91 2kw5A20 GLU 154 HB2 -0.06 0.01 0.07 -0.04 2.09 2.07 2kw5A20 GLU 154 HB3 -0.06 -0.09 0.03 -0.04 1.99 1.84 2kw5A20 GLU 154 HG2 -0.03 0.01 -0.03 -0.04 2.34 2.25 2kw5A20 GLU 154 HG3 -0.04 0.06 -0.17 -0.04 2.34 2.14 2kw5A20 THR 155 H -0.10 -0.06 -0.43 -0.55 8.28 7.14 2kw5A20 THR 155 HA -0.06 0.10 0.28 -0.75 4.39 3.95 2kw5A20 THR 155 HB -0.12 0.09 0.13 -0.04 4.32 4.39 2kw5A20 THR 155 HG23 -0.01 0.02 -0.07 -0.04 1.22 1.11 2kw5A20 LEU 156 H -0.25 0.51 -0.10 -0.55 8.37 7.99 2kw5A20 LEU 156 HA -0.40 0.03 -0.03 -0.75 4.35 3.20 2kw5A20 LEU 156 HB2 -0.57 -0.00 0.03 -0.04 1.64 1.06 2kw5A20 LEU 156 HB3 -0.57 0.03 -0.11 -0.04 1.64 0.96 2kw5A20 LEU 156 HG -0.28 -0.10 -0.10 -0.04 1.64 1.12 2kw5A20 LEU 156 HD13 -0.31 -0.00 -0.22 -0.04 0.93 0.36 2kw5A20 LEU 156 HD23 -0.50 0.00 -0.10 -0.04 0.89 0.25 2kw5A20 GLN 157 H -0.33 0.25 0.01 -0.55 8.47 7.86 2kw5A20 GLN 157 HA 0.48 0.15 0.47 -0.75 4.36 4.69 2kw5A20 GLN 157 HB2 -0.26 -0.10 0.11 -0.04 2.15 1.85 2kw5A20 GLN 157 HB3 -0.10 0.13 0.06 -0.04 2.02 2.07 2kw5A20 GLN 157 HG2 0.06 0.03 -0.24 -0.04 2.40 2.21 2kw5A20 GLN 157 HG3 0.18 0.03 0.02 -0.04 2.39 2.58 2kw5A20 GLN 157 HE21 0.03 0.03 -0.07 -0.04 6.97 6.93 2kw5A20 GLN 157 HE22 0.00 -0.04 -0.04 -0.04 7.69 7.57 2kw5A20 SER 158 H -0.05 0.27 -0.37 -0.55 8.46 7.76 2kw5A20 SER 158 HA 0.00 0.03 0.34 -0.75 4.49 4.11 2kw5A20 SER 158 HB2 -0.03 -0.04 0.11 -0.04 3.95 3.95 2kw5A20 SER 158 HB3 -0.04 0.17 0.15 -0.04 3.93 4.17 2kw5A20 GLU 159 H -0.06 0.29 -0.25 -0.55 8.60 8.04 2kw5A20 GLU 159 HA -0.03 0.05 0.42 -0.75 4.29 3.97 2kw5A20 GLU 159 HB2 -0.35 -0.01 -0.08 -0.04 2.09 1.62 2kw5A20 GLU 159 HB3 -0.08 -0.10 0.04 -0.04 1.99 1.81 2kw5A20 GLU 159 HG2 -0.06 0.19 -0.01 -0.04 2.34 2.42 2kw5A20 GLU 159 HG3 0.05 -0.12 -0.08 -0.04 2.34 2.15 2kw5A20 LEU 160 H 0.09 0.28 -0.69 -0.55 8.37 7.50 2kw5A20 LEU 160 HA 0.11 0.05 0.61 -0.75 4.35 4.37 2kw5A20 LEU 160 HB2 0.34 0.15 0.07 -0.04 1.64 2.17 2kw5A20 LEU 160 HB3 -0.04 -0.10 0.08 -0.04 1.64 1.55 2kw5A20 LEU 160 HG 0.10 -0.01 -0.43 -0.04 1.64 1.25 2kw5A20 LEU 160 HD13 0.27 -0.04 -0.10 -0.04 0.93 1.02 2kw5A20 LEU 160 HD23 0.21 0.02 0.04 -0.04 0.89 1.11 2kw5A20 PRO 161 HA 0.06 0.15 0.34 -0.51 4.44 4.48 2kw5A20 PRO 161 HB2 0.09 -0.03 0.04 -0.04 2.28 2.34 2kw5A20 PRO 161 HB3 0.01 0.00 0.07 -0.04 2.02 2.06 2kw5A20 PRO 161 HG2 -0.27 -0.02 0.04 -0.04 2.03 1.74 2kw5A20 PRO 161 HG3 -0.09 0.19 0.05 -0.04 2.03 2.14 2kw5A20 PRO 161 HD2 -0.16 0.01 0.08 -0.04 3.68 3.56 2kw5A20 PRO 161 HD3 -0.13 0.19 -0.36 -0.04 3.65 3.31 2kw5A20 SER 162 H 0.21 0.08 -0.15 -0.55 8.46 8.06 2kw5A20 SER 162 HA 0.03 0.10 0.36 -0.75 4.49 4.23 2kw5A20 SER 162 HB2 0.04 0.05 0.02 -0.04 3.95 4.02 2kw5A20 SER 162 HB3 -0.00 0.00 0.06 -0.04 3.93 3.95 2kw5A20 LEU 163 H -0.01 -0.03 -0.28 -0.55 8.37 7.49 2kw5A20 LEU 163 HA -0.23 0.11 0.63 -0.75 4.35 4.11 2kw5A20 LEU 163 HB2 -0.18 0.01 -0.01 -0.04 1.64 1.41 2kw5A20 LEU 163 HB3 -0.39 0.04 0.07 -0.04 1.64 1.32 2kw5A20 LEU 163 HG -1.30 -0.05 -0.07 -0.04 1.64 0.18 2kw5A20 LEU 163 HD13 -0.30 0.04 -0.19 -0.04 0.93 0.44 2kw5A20 LEU 163 HD23 -0.26 -0.03 -0.11 -0.04 0.89 0.46 2kw5A20 ASN 164 H -0.15 0.47 -0.07 -0.55 8.53 8.23 2kw5A20 ASN 164 HA -0.04 0.07 0.59 -0.75 4.76 4.63 2kw5A20 ASN 164 HB2 -0.02 0.06 0.10 -0.04 2.88 2.99 2kw5A20 ASN 164 HB3 -0.04 -0.02 0.08 -0.04 2.79 2.77 2kw5A20 ASN 164 HD21 0.13 0.03 0.12 -0.04 7.03 7.27 2kw5A20 ASN 164 HD22 0.09 -0.02 0.02 -0.04 7.74 7.79 2kw5A20 TRP 165 H 0.28 0.12 0.13 -0.55 7.97 7.95 2kw5A20 TRP 165 HA 0.01 0.05 0.59 -0.75 4.62 4.52 2kw5A20 TRP 165 HB2 -0.01 -0.05 0.00 -0.04 3.23 3.13 2kw5A20 TRP 165 HB3 0.00 0.01 -0.06 -0.04 3.23 3.14 2kw5A20 TRP 165 HD1 -0.02 -0.06 0.13 -0.04 7.22 7.22 2kw5A20 TRP 165 HE1 -0.06 0.13 0.07 -0.04 10.20 10.30 2kw5A20 TRP 165 HE3 -0.01 -0.10 -0.40 -0.04 7.59 7.04 2kw5A20 TRP 165 HZ2 -0.17 0.21 -0.24 -0.04 7.44 7.20 2kw5A20 TRP 165 HZ3 -0.13 -0.01 -0.11 -0.04 7.13 6.84 2kw5A20 TRP 165 HH2 -0.49 -0.05 -0.12 -0.04 7.19 6.49 2kw5A20 LEU 166 H 0.14 0.45 0.35 -0.55 8.37 8.76 2kw5A20 LEU 166 HA 0.07 0.07 0.47 -0.75 4.35 4.21 2kw5A20 LEU 166 HB2 0.07 -0.03 0.06 -0.04 1.64 1.70 2kw5A20 LEU 166 HB3 0.04 -0.04 0.02 -0.04 1.64 1.62 2kw5A20 LEU 166 HG 0.02 0.01 -0.02 -0.04 1.64 1.61 2kw5A20 LEU 166 HD13 -0.01 -0.01 -0.06 -0.04 0.93 0.82 2kw5A20 LEU 166 HD23 0.01 0.01 -0.05 -0.04 0.89 0.82 2kw5A20 ILE 167 H 0.22 0.27 -0.08 -0.55 8.25 8.11 2kw5A20 ILE 167 HA 0.10 0.16 0.76 -0.75 4.18 4.44 2kw5A20 ILE 167 HB 0.24 -0.13 0.00 -0.04 1.89 1.97 2kw5A20 ILE 167 HG12 0.10 0.10 -0.12 -0.04 1.49 1.53 2kw5A20 ILE 167 HG13 0.09 -0.04 -0.43 -0.04 1.21 0.79 2kw5A20 ILE 167 HG23 0.18 0.02 -0.18 -0.04 0.93 0.91 2kw5A20 ILE 167 HD13 0.10 -0.01 -0.08 -0.04 0.88 0.85 2kw5A20 ALA 168 H 0.05 0.20 -0.09 -0.55 8.40 8.02 2kw5A20 ALA 168 HA -0.09 0.27 0.64 -0.75 4.34 4.41 2kw5A20 ALA 168 HB3 -0.05 0.01 0.04 -0.04 1.41 1.37 2kw5A20 ASN 169 H -0.05 0.41 0.18 -0.55 8.53 8.52 2kw5A20 ASN 169 HA -0.04 0.12 0.71 -0.75 4.76 4.80 2kw5A20 ASN 169 HB2 0.00 0.08 -0.15 -0.04 2.88 2.77 2kw5A20 ASN 169 HB3 -0.00 -0.04 -0.05 -0.04 2.79 2.66 2kw5A20 ASN 169 HD21 0.01 -0.05 -0.10 -0.04 7.03 6.85 2kw5A20 ASN 169 HD22 0.00 0.03 -0.04 -0.04 7.74 7.69 2kw5A20 ASN 170 H -0.04 0.18 0.15 -0.55 8.53 8.27 2kw5A20 ASN 170 HA -0.06 0.22 0.86 -0.75 4.76 5.02 2kw5A20 ASN 170 HB2 -0.03 0.00 0.15 -0.04 2.88 2.96 2kw5A20 ASN 170 HB3 -0.04 0.01 0.01 -0.04 2.79 2.73 2kw5A20 ASN 170 HD21 -0.03 0.02 0.02 -0.04 7.03 6.99 2kw5A20 ASN 170 HD22 -0.04 0.00 -0.01 -0.04 7.74 7.65 2kw5A20 LEU 171 H -0.06 0.58 0.31 -0.55 8.37 8.66 2kw5A20 LEU 171 HA -0.02 0.13 0.86 -0.75 4.35 4.56 2kw5A20 LEU 171 HB2 -0.06 -0.05 0.05 -0.04 1.64 1.54 2kw5A20 LEU 171 HB3 -0.03 0.04 -0.02 -0.04 1.64 1.59 2kw5A20 LEU 171 HG -0.04 0.01 -0.18 -0.04 1.64 1.39 2kw5A20 LEU 171 HD13 -0.03 -0.00 -0.06 -0.04 0.93 0.80 2kw5A20 LEU 171 HD23 -0.00 0.05 -0.15 -0.04 0.89 0.74 2kw5A20 GLU 172 H -0.01 0.18 0.13 -0.55 8.60 8.35 2kw5A20 GLU 172 HA -0.01 0.33 0.93 -0.75 4.29 4.78 2kw5A20 GLU 172 HB2 0.00 -0.02 0.04 -0.04 2.09 2.07 2kw5A20 GLU 172 HB3 -0.01 -0.02 0.04 -0.04 1.99 1.96 2kw5A20 GLU 172 HG2 0.00 0.01 0.03 -0.04 2.34 2.34 2kw5A20 GLU 172 HG3 0.00 0.01 0.01 -0.04 2.34 2.32 2kw5A20 ARG 173 H 0.00 0.47 0.37 -0.55 8.46 8.75 2kw5A20 ARG 173 HA -0.00 0.13 0.76 -0.75 4.34 4.48 2kw5A20 ARG 173 HB2 -0.00 0.02 0.01 -0.04 1.90 1.89 2kw5A20 ARG 173 HB3 0.02 -0.07 0.04 -0.04 1.80 1.75 2kw5A20 ARG 173 HG2 0.01 0.07 -0.40 -0.04 1.67 1.30 2kw5A20 ARG 173 HG3 -0.00 0.01 -0.02 -0.04 1.67 1.62 2kw5A20 ARG 173 HD2 0.01 -0.01 -0.06 -0.04 3.22 3.11 2kw5A20 ARG 173 HD3 0.03 -0.04 -0.11 -0.04 3.22 3.05 2kw5A20 ASN 174 H 0.00 0.16 0.11 -0.55 8.53 8.26 2kw5A20 ASN 174 HA 0.01 0.21 0.78 -0.75 4.76 5.01 2kw5A20 ASN 174 HB2 0.00 -0.04 0.21 -0.04 2.88 3.02 2kw5A20 ASN 174 HB3 0.01 0.07 0.10 -0.04 2.79 2.92 2kw5A20 ASN 174 HD21 0.00 -0.04 0.11 -0.04 7.03 7.07 2kw5A20 ASN 174 HD22 0.00 0.03 0.03 -0.04 7.74 7.76 2kw5A20 LEU 175 H 0.02 0.48 0.12 -0.55 8.37 8.44 2kw5A20 LEU 175 HA 0.01 0.07 0.64 -0.75 4.35 4.32 2kw5A20 LEU 175 HB2 0.03 -0.07 -0.13 -0.04 1.64 1.43 2kw5A20 LEU 175 HB3 0.02 -0.03 0.05 -0.04 1.64 1.64 2kw5A20 LEU 175 HG 0.03 0.06 -0.50 -0.04 1.64 1.19 2kw5A20 LEU 175 HD13 0.05 -0.01 -0.10 -0.04 0.93 0.82 2kw5A20 LEU 175 HD23 0.03 -0.03 -0.26 -0.04 0.89 0.59 2kw5A20 ASP 176 H 0.01 0.09 0.08 -0.55 8.40 8.03 2kw5A20 ASP 176 HA 0.00 0.06 0.60 -0.75 4.63 4.53 2kw5A20 ASP 176 HB2 0.00 -0.02 0.12 -0.04 2.71 2.76 2kw5A20 ASP 176 HB3 -0.00 0.07 0.01 -0.04 2.70 2.74 2kw5A20 GLU 177 H 0.00 0.11 0.11 -0.55 8.60 8.28 2kw5A20 GLU 177 HA 0.02 -0.05 -0.27 -0.75 4.29 3.23 2kw5A20 GLU 177 HB2 0.01 0.13 -0.26 -0.04 2.09 1.93 2kw5A20 GLU 177 HB3 0.01 -0.00 0.05 -0.04 1.99 2.01 2kw5A20 GLU 177 HG2 -0.00 -0.04 0.06 -0.04 2.34 2.31 2kw5A20 GLU 177 HG3 -0.01 0.00 -0.16 -0.04 2.34 2.13 2kw5A20 GLY 178 H 0.03 0.25 -0.41 -0.55 8.43 7.75 2kw5A20 GLY 178 HA2 -0.04 0.04 0.23 -0.51 4.01 3.73 2kw5A20 GLY 178 HA3 -0.00 0.14 0.38 -0.51 4.01 4.03 2kw5A20 ALA 179 H 0.05 0.25 0.13 -0.55 8.40 8.27 2kw5A20 ALA 179 HA 0.07 0.03 0.46 -0.75 4.34 4.15 2kw5A20 ALA 179 HB3 0.06 0.03 0.18 -0.04 1.41 1.64 2kw5A20 TYR 180 H 0.16 0.22 0.34 -0.55 8.29 8.46 2kw5A20 TYR 180 HA 0.14 0.05 0.39 -0.75 4.56 4.38 2kw5A20 TYR 180 HB2 0.03 -0.03 -0.02 -0.04 3.06 2.99 2kw5A20 TYR 180 HB3 0.03 0.11 0.24 -0.04 2.98 3.32 2kw5A20 TYR 180 HD2 0.02 -0.01 0.08 -0.04 7.15 7.20 2kw5A20 TYR 180 HE2 -0.02 0.00 0.01 -0.04 6.85 6.80 2kw5A20 HIS 181 H 0.08 0.42 -0.15 -0.55 8.41 8.21 2kw5A20 HIS 181 HA -0.05 0.04 0.17 -0.75 4.63 4.03 2kw5A20 HIS 181 HB2 -0.18 0.20 -0.11 -0.04 3.26 3.13 2kw5A20 HIS 181 HB3 -0.08 -0.02 0.10 -0.04 3.20 3.15 2kw5A20 HIS 181 HD2 -0.24 -0.12 -0.15 -0.04 6.97 6.42 2kw5A20 HIS 181 HE1 -0.08 0.00 -0.01 -0.04 7.75 7.62 2kw5A20 GLN 182 H 0.10 0.27 -1.06 -0.55 8.47 7.23 2kw5A20 GLN 182 HA 0.04 0.16 0.76 -0.75 4.36 4.58 2kw5A20 GLN 182 HB2 0.05 -0.09 -0.03 -0.04 2.15 2.05 2kw5A20 GLN 182 HB3 0.07 0.09 -0.19 -0.04 2.02 1.94 2kw5A20 GLN 182 HG2 0.16 0.26 -0.04 -0.04 2.40 2.74 2kw5A20 GLN 182 HG3 0.09 -0.11 -0.10 -0.04 2.39 2.24 2kw5A20 GLN 182 HE21 0.08 0.02 -0.06 -0.04 6.97 6.97 2kw5A20 GLN 182 HE22 0.09 -0.03 -0.02 -0.04 7.69 7.69 2kw5A20 GLY 183 H 0.03 0.26 -0.08 -0.55 8.43 8.09 2kw5A20 GLY 183 HA2 0.04 0.19 0.71 -0.51 4.01 4.43 2kw5A20 GLY 183 HA3 0.03 0.12 -0.10 -0.51 4.01 3.54 2kw5A20 LYS 184 H 0.04 0.14 -0.15 -0.55 8.42 7.90 2kw5A20 LYS 184 HA 0.02 0.29 0.85 -0.75 4.32 4.72 2kw5A20 LYS 184 HB2 0.02 -0.01 0.02 -0.04 1.87 1.86 2kw5A20 LYS 184 HB3 0.03 0.02 0.03 -0.04 1.79 1.82 2kw5A20 LYS 184 HG2 0.04 0.02 -0.01 -0.04 1.46 1.46 2kw5A20 LYS 184 HG3 0.02 -0.06 -0.19 -0.04 1.46 1.20 2kw5A20 LYS 184 HD2 0.01 -0.02 -0.08 -0.04 1.69 1.56 2kw5A20 LYS 184 HD3 0.03 0.04 -0.04 -0.04 1.68 1.67 2kw5A20 LYS 184 HE2 0.03 0.07 -0.03 -0.04 2.99 3.01 2kw5A20 LYS 184 HE3 0.01 -0.08 -0.05 -0.04 2.99 2.83 2kw5A20 ALA 185 H 0.02 0.38 0.24 -0.55 8.40 8.49 2kw5A20 ALA 185 HA 0.04 0.04 0.47 -0.75 4.34 4.14 2kw5A20 ALA 185 HB3 0.05 0.01 0.03 -0.04 1.41 1.46 2kw5A20 ALA 186 H 0.02 0.08 0.11 -0.55 8.40 8.07 2kw5A20 ALA 186 HA -0.01 0.15 0.70 -0.75 4.34 4.43 2kw5A20 ALA 186 HB3 -0.01 -0.00 0.07 -0.04 1.41 1.43 2kw5A20 LEU 187 H -0.04 0.50 0.25 -0.55 8.37 8.53 2kw5A20 LEU 187 HA -0.14 0.23 0.89 -0.75 4.35 4.58 2kw5A20 LEU 187 HB2 -0.09 0.15 0.13 -0.04 1.64 1.78 2kw5A20 LEU 187 HB3 -0.21 0.02 0.07 -0.04 1.64 1.48 2kw5A20 LEU 187 HG -0.01 -0.02 -0.12 -0.04 1.64 1.45 2kw5A20 LEU 187 HD13 -0.03 0.00 -0.05 -0.04 0.93 0.80 2kw5A20 LEU 187 HD23 0.06 0.00 -0.16 -0.04 0.89 0.76 2kw5A20 ILE 188 H -0.23 0.58 0.16 -0.55 8.25 8.22 2kw5A20 ILE 188 HA -0.11 0.25 1.00 -0.75 4.18 4.56 2kw5A20 ILE 188 HB -0.15 0.04 -0.11 -0.04 1.89 1.63 2kw5A20 ILE 188 HG12 -0.15 0.07 -0.14 -0.04 1.49 1.23 2kw5A20 ILE 188 HG13 -0.18 -0.13 0.10 -0.04 1.21 0.97 2kw5A20 ILE 188 HG23 -0.09 -0.02 -0.31 -0.04 0.93 0.47 2kw5A20 ILE 188 HD13 -0.13 0.02 -0.04 -0.04 0.88 0.69 2kw5A20 GLN 189 H -0.10 0.43 0.25 -0.55 8.47 8.51 2kw5A20 GLN 189 HA -0.13 0.25 0.95 -0.75 4.36 4.68 2kw5A20 GLN 189 HB2 -0.05 -0.03 0.08 -0.04 2.15 2.11 2kw5A20 GLN 189 HB3 -0.14 0.04 -0.02 -0.04 2.02 1.86 2kw5A20 GLN 189 HG2 -0.25 0.03 0.01 -0.04 2.40 2.15 2kw5A20 GLN 189 HG3 -0.15 -0.04 -0.04 -0.04 2.39 2.12 2kw5A20 GLN 189 HE21 0.03 -0.00 -0.05 -0.04 6.97 6.90 2kw5A20 GLN 189 HE22 0.07 0.00 -0.05 -0.04 7.69 7.68 2kw5A20 LEU 190 H -0.07 0.64 0.34 -0.55 8.37 8.74 2kw5A20 LEU 190 HA -0.01 0.49 0.86 -0.75 4.35 4.93 2kw5A20 LEU 190 HB2 -0.24 -0.11 0.09 -0.04 1.64 1.34 2kw5A20 LEU 190 HB3 -0.33 0.05 -0.03 -0.04 1.64 1.30 2kw5A20 LEU 190 HG -0.40 -0.07 -0.39 -0.04 1.64 0.74 2kw5A20 LEU 190 HD13 -0.95 -0.02 -0.15 -0.04 0.93 -0.23 2kw5A20 LEU 190 HD23 -0.91 0.06 0.11 -0.04 0.89 0.10 2kw5A20 LEU 191 H 0.29 0.49 0.21 -0.55 8.37 8.81 2kw5A20 LEU 191 HA 0.29 0.27 0.75 -0.75 4.35 4.91 2kw5A20 LEU 191 HB2 0.27 -0.02 0.06 -0.04 1.64 1.91 2kw5A20 LEU 191 HB3 0.18 -0.09 0.16 -0.04 1.64 1.85 2kw5A20 LEU 191 HG 0.06 -0.00 -0.24 -0.04 1.64 1.42 2kw5A20 LEU 191 HD13 0.05 0.02 -0.02 -0.04 0.93 0.94 2kw5A20 LEU 191 HD23 -0.12 0.00 -0.08 -0.04 0.89 0.65 2kw5A20 GLY 192 H 0.35 0.51 0.20 -0.55 8.43 8.95 2kw5A20 GLY 192 HA2 -0.20 0.14 0.78 -0.51 4.01 4.23 2kw5A20 GLY 192 HA3 -0.39 0.05 0.35 -0.51 4.01 3.51 2kw5A20 GLN 193 H -0.15 0.47 0.22 -0.55 8.47 8.46 2kw5A20 GLN 193 HA -0.07 0.17 0.39 -0.75 4.36 4.09 2kw5A20 GLN 193 HB2 -0.03 -0.00 0.02 -0.04 2.15 2.10 2kw5A20 GLN 193 HB3 -0.03 -0.04 0.00 -0.04 2.02 1.90 2kw5A20 GLN 193 HG2 -0.04 -0.04 -0.02 -0.04 2.40 2.26 2kw5A20 GLN 193 HG3 -0.05 0.29 -0.14 -0.04 2.39 2.44 2kw5A20 GLN 193 HE21 -0.06 -0.08 0.03 -0.04 6.97 6.81 2kw5A20 GLN 193 HE22 -0.08 0.26 0.08 -0.04 7.69 7.92 2kw5A20 LYS 194 H -0.07 0.10 0.09 -0.55 8.42 7.98 2kw5A20 LYS 194 HA -0.07 0.04 0.38 -0.75 4.32 3.91 2kw5A20 LYS 194 HB2 -0.03 0.09 0.09 -0.04 1.87 1.98 2kw5A20 LYS 194 HB3 -0.07 -0.32 0.22 -0.04 1.79 1.58 2kw5A20 LYS 194 HG2 -0.09 -0.00 -0.05 -0.04 1.46 1.28 2kw5A20 LYS 194 HG3 -0.08 -0.02 -0.61 -0.04 1.46 0.71 2kw5A20 LYS 194 HD2 -0.15 0.04 -0.22 -0.04 1.69 1.31 2kw5A20 LYS 194 HD3 -0.14 0.06 -0.31 -0.04 1.68 1.26 2kw5A20 LYS 194 HE2 -0.36 -0.04 -0.14 -0.04 2.99 2.40 2kw5A20 LYS 194 HE3 -0.34 0.01 -0.06 -0.04 2.99 2.56 2kw5A20 LEU 195 H -0.01 0.12 0.22 -0.55 8.37 8.16 2kw5A20 LEU 195 HA 0.02 0.13 0.83 -0.75 4.35 4.58 2kw5A20 LEU 195 HB2 0.06 -0.01 0.16 -0.04 1.64 1.81 2kw5A20 LEU 195 HB3 0.05 -0.04 0.14 -0.04 1.64 1.75 2kw5A20 LEU 195 HG -0.02 0.02 0.22 -0.04 1.64 1.82 2kw5A20 LEU 195 HD13 -0.02 0.01 0.13 -0.04 0.93 1.00 2kw5A20 LEU 195 HD23 -0.04 0.01 0.08 -0.04 0.89 0.90 2kw5A20 GLU 196 H 0.06 0.21 0.01 -0.55 8.60 8.34 2kw5A20 GLU 196 HA 0.13 0.19 0.60 -0.75 4.29 4.46 2kw5A20 GLU 196 HB2 -0.11 -0.03 0.16 -0.04 2.09 2.06 2kw5A20 GLU 196 HB3 -0.20 0.08 -0.04 -0.04 1.99 1.79 2kw5A20 GLU 196 HG2 -0.00 -0.04 0.06 -0.04 2.34 2.32 2kw5A20 GLU 196 HG3 -0.07 0.04 0.03 -0.04 2.34 2.30 2kw5A20 HIS 197 H 0.25 0.16 -0.38 -0.55 8.41 7.90 2kw5A20 HIS 197 HA 0.08 0.08 0.55 -0.75 4.63 4.59 2kw5A20 HIS 197 HB2 0.04 -0.02 0.08 -0.04 3.26 3.32 2kw5A20 HIS 197 HB3 0.04 0.03 0.13 -0.04 3.20 3.35 2kw5A20 HIS 197 HD2 0.03 -0.01 0.02 -0.04 6.97 6.96 2kw5A20 HIS 197 HE1 0.02 -0.01 0.00 -0.04 7.75 7.71 2kw5A20 HIS 198 H 0.09 0.43 0.08 -0.55 8.41 8.45 2kw5A20 HIS 198 HA -0.03 0.03 0.36 -0.75 4.63 4.24 2kw5A20 HIS 198 HB2 -0.15 -0.05 -0.02 -0.04 3.26 3.00 2kw5A20 HIS 198 HB3 -0.21 0.08 -0.06 -0.04 3.20 2.98 2kw5A20 HIS 198 HD2 0.03 -0.02 0.01 -0.04 6.97 6.95 2kw5A20 HIS 198 HE1 0.12 -0.05 -0.06 -0.04 7.75 7.71 2kw5A20 HIS 199 H -0.02 0.12 0.02 -0.55 8.41 7.98 2kw5A20 HIS 199 HA -0.09 0.18 0.66 -0.75 4.63 4.62 2kw5A20 HIS 199 HB2 -0.10 0.10 0.10 -0.04 3.26 3.32 2kw5A20 HIS 199 HB3 -0.04 -0.22 0.17 -0.04 3.20 3.07 2kw5A20 HIS 199 HD2 -0.03 -0.17 -0.47 -0.04 6.97 6.26 2kw5A20 HIS 199 HE1 -0.03 0.02 0.05 -0.04 7.75 7.73 2kw5A20 HIS 200 H 0.09 0.15 0.12 -0.55 8.41 8.22 2kw5A20 HIS 200 HA -0.00 0.12 0.52 -0.75 4.63 4.51 2kw5A20 HIS 200 HB2 0.00 0.03 0.11 -0.04 3.26 3.36 2kw5A20 HIS 200 HB3 0.02 -0.01 0.07 -0.04 3.20 3.24 2kw5A20 HIS 200 HD2 0.06 0.01 0.04 -0.04 6.97 7.04 2kw5A20 HIS 200 HE1 0.02 -0.00 -0.01 -0.04 7.75 7.71 2kw5A20 HIS 201 H 0.09 -0.01 -0.18 -0.55 8.41 7.77 2kw5A20 HIS 201 HA -0.12 0.02 0.56 -0.75 4.63 4.33 2kw5A20 HIS 201 HB2 -0.06 0.00 0.09 -0.04 3.26 3.25 2kw5A20 HIS 201 HB3 -0.14 -0.03 0.10 -0.04 3.20 3.09 2kw5A20 HIS 201 HD2 -0.11 -0.00 -0.17 -0.04 6.97 6.64 2kw5A20 HIS 201 HE1 -0.04 -0.01 -0.01 -0.04 7.75 7.64 2kw5A20 HIS 202 H -0.26 0.14 0.11 -0.55 8.41 7.85 2kw5A20 HIS 202 HA -0.10 0.20 0.53 -0.75 4.63 4.51 2kw5A20 HIS 202 HB2 -0.17 0.01 0.06 -0.04 3.26 3.12 2kw5A20 HIS 202 HB3 -0.09 -0.03 0.05 -0.04 3.20 3.08 2kw5A20 HIS 202 HD2 -0.02 -0.06 -0.02 -0.04 6.97 6.83 2kw5A20 HIS 202 HE1 -0.13 -0.08 -0.02 -0.04 7.75 7.47