============================================================================= 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 -39.007 4.025 39.342 -99.200 -91.000 TRP6 2 1.020 -39.727 4.631 37.176 -99.200 -91.000 PHE 6 1.000 -34.193 -3.196 31.376 -99.200 -91.000 TYR 11 0.840 -17.201 -9.660 21.386 -99.200 -91.000 TYR 13 0.840 -13.018 -10.257 16.108 -99.200 -91.000 PHE 20 1.000 1.841 -9.163 4.070 -99.200 -91.000 PHE 46 1.000 -9.522 -10.670 1.073 -99.200 -91.000 TYR 52 0.840 -14.679 -3.195 6.184 -99.200 -91.000 PHE 88 1.000 -6.384 11.907 -3.972 -99.200 -91.000 TRP 95 1.040 -8.641 8.823 1.286 -99.200 -91.000 TRP6 95 1.020 -10.503 8.304 -0.064 -99.200 -91.000 PHE 102 1.000 2.975 -6.405 -4.008 -99.200 -91.000 HIS 104 0.900 8.369 -2.843 -5.102 -99.200 -91.000 TYR 114 0.840 8.915 5.743 0.779 -99.200 -91.000 TYR 118 0.840 7.078 11.531 10.182 -99.200 -91.000 PHE 127 1.000 3.854 3.276 2.784 -99.200 -91.000 PHE 132 1.000 12.022 -2.951 -0.798 -99.200 -91.000 TYR 139 0.840 14.189 -11.492 -11.264 -99.200 -91.000 TRP 165 1.040 7.703 0.271 9.750 -99.200 -91.000 TRP6 165 1.020 6.750 0.748 7.648 -99.200 -91.000 TYR 180 0.840 28.153 -15.061 -10.103 -99.200 -91.000 HIS 181 0.900 30.351 -20.356 -5.667 -99.200 -91.000 HIS 197 0.900 -5.273 7.485 18.299 -99.200 -91.000 HIS 198 0.900 -6.195 3.671 24.527 -99.200 -91.000 HIS 199 0.900 -7.573 -0.436 16.984 -99.200 -91.000 HIS 200 0.900 -13.593 0.403 15.094 -99.200 -91.000 HIS 201 0.900 -9.473 -7.249 18.916 -99.200 -91.000 HIS 202 0.900 -15.025 -6.654 14.991 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2kw5A19 MET 1 HA -0.10 -0.01 0.19 -0.75 4.52 3.84 2kw5A19 MET 1 HB2 0.01 -0.09 0.10 -0.04 2.15 2.13 2kw5A19 MET 1 HB3 -0.41 0.01 -0.02 -0.04 2.03 1.57 2kw5A19 MET 1 HG2 -0.07 0.01 0.03 -0.04 2.63 2.56 2kw5A19 MET 1 HG3 0.03 0.00 0.03 -0.04 2.56 2.58 2kw5A19 MET 1 HE3 -0.13 0.00 -0.01 -0.04 2.10 1.93 2kw5A19 TRP 2 H 0.32 0.17 0.01 -0.55 7.97 7.93 2kw5A19 TRP 2 HA 0.01 0.07 0.29 -0.75 4.62 4.24 2kw5A19 TRP 2 HB2 0.01 0.01 0.21 -0.04 3.23 3.42 2kw5A19 TRP 2 HB3 0.02 -0.00 0.06 -0.04 3.23 3.27 2kw5A19 TRP 2 HD1 0.01 0.03 0.07 -0.04 7.22 7.29 2kw5A19 TRP 2 HE1 0.01 0.00 0.00 -0.04 10.20 10.18 2kw5A19 TRP 2 HE3 0.04 0.01 -0.04 -0.04 7.59 7.56 2kw5A19 TRP 2 HZ2 0.01 -0.01 -0.01 -0.04 7.44 7.39 2kw5A19 TRP 2 HZ3 0.03 -0.00 -0.02 -0.04 7.13 7.09 2kw5A19 TRP 2 HH2 0.01 -0.01 -0.01 -0.04 7.19 7.14 2kw5A19 ASP 3 H 0.04 0.45 0.26 -0.55 8.40 8.60 2kw5A19 ASP 3 HA 0.04 0.12 0.80 -0.75 4.63 4.84 2kw5A19 ASP 3 HB2 -0.01 -0.02 0.07 -0.04 2.71 2.71 2kw5A19 ASP 3 HB3 0.01 0.03 0.04 -0.04 2.70 2.74 2kw5A19 GLU 4 H 0.04 0.37 0.03 -0.55 8.60 8.49 2kw5A19 GLU 4 HA -0.21 0.15 0.82 -0.75 4.29 4.30 2kw5A19 GLU 4 HB2 0.18 -0.03 -0.05 -0.04 2.09 2.15 2kw5A19 GLU 4 HB3 0.21 0.02 -0.20 -0.04 1.99 1.98 2kw5A19 GLU 4 HG2 0.18 0.09 -0.10 -0.04 2.34 2.47 2kw5A19 GLU 4 HG3 0.09 0.00 -0.05 -0.04 2.34 2.34 2kw5A19 ARG 5 H -0.95 0.20 -0.04 -0.55 8.46 7.12 2kw5A19 ARG 5 HA -0.16 0.07 0.60 -0.75 4.34 4.10 2kw5A19 ARG 5 HB2 -0.12 0.13 -0.24 -0.04 1.90 1.62 2kw5A19 ARG 5 HB3 -0.20 -0.01 -0.01 -0.04 1.80 1.53 2kw5A19 ARG 5 HG2 -0.09 -0.03 -0.19 -0.04 1.67 1.33 2kw5A19 ARG 5 HG3 -0.06 0.02 -0.01 -0.04 1.67 1.58 2kw5A19 ARG 5 HD2 -0.07 -0.01 -0.04 -0.04 3.22 3.06 2kw5A19 ARG 5 HD3 -0.04 -0.01 -0.04 -0.04 3.22 3.09 2kw5A19 PHE 6 H -0.00 0.24 0.08 -0.55 8.34 8.11 2kw5A19 PHE 6 HA 0.02 0.15 0.84 -0.75 4.62 4.87 2kw5A19 PHE 6 HB2 0.02 0.01 0.10 -0.04 3.15 3.25 2kw5A19 PHE 6 HB3 0.02 0.02 0.02 -0.04 3.06 3.07 2kw5A19 PHE 6 HD2 0.02 0.03 -0.03 -0.04 7.28 7.26 2kw5A19 PHE 6 HE2 0.04 0.03 -0.04 -0.04 7.38 7.38 2kw5A19 PHE 6 HZ 0.05 0.05 -0.02 -0.04 7.32 7.36 2kw5A19 SER 7 H 0.11 0.22 -0.03 -0.55 8.46 8.22 2kw5A19 SER 7 HA 0.07 0.11 0.62 -0.75 4.49 4.53 2kw5A19 SER 7 HB2 0.04 0.08 -0.17 -0.04 3.95 3.85 2kw5A19 SER 7 HB3 0.03 -0.00 0.05 -0.04 3.93 3.97 2kw5A19 GLN 8 H 0.06 0.20 -0.01 -0.55 8.47 8.18 2kw5A19 GLN 8 HA 0.05 0.17 0.78 -0.75 4.36 4.60 2kw5A19 GLN 8 HB2 0.05 0.02 0.18 -0.04 2.15 2.35 2kw5A19 GLN 8 HB3 0.05 0.04 0.04 -0.04 2.02 2.11 2kw5A19 GLN 8 HG2 0.08 -0.11 -0.11 -0.04 2.40 2.22 2kw5A19 GLN 8 HG3 0.05 0.03 -0.01 -0.04 2.39 2.42 2kw5A19 GLN 8 HE21 0.06 0.03 -0.03 -0.04 6.97 6.99 2kw5A19 GLN 8 HE22 0.10 -0.06 -0.07 -0.04 7.69 7.62 2kw5A19 SER 9 H 0.05 0.26 -0.07 -0.55 8.46 8.15 2kw5A19 SER 9 HA 0.07 0.12 0.75 -0.75 4.49 4.67 2kw5A19 SER 9 HB2 0.07 0.03 0.06 -0.04 3.95 4.07 2kw5A19 SER 9 HB3 0.05 -0.00 0.03 -0.04 3.93 3.96 2kw5A19 GLU 10 H 0.11 0.36 0.13 -0.55 8.60 8.65 2kw5A19 GLU 10 HA 0.07 0.12 0.73 -0.75 4.29 4.45 2kw5A19 GLU 10 HB2 0.04 -0.01 -0.06 -0.04 2.09 2.02 2kw5A19 GLU 10 HB3 0.04 0.03 -0.27 -0.04 1.99 1.75 2kw5A19 GLU 10 HG2 0.06 0.08 -0.20 -0.04 2.34 2.24 2kw5A19 GLU 10 HG3 0.07 0.02 -0.06 -0.04 2.34 2.33 2kw5A19 TYR 11 H -0.05 0.26 0.10 -0.55 8.29 8.04 2kw5A19 TYR 11 HA 0.07 0.05 0.34 -0.75 4.56 4.27 2kw5A19 TYR 11 HB2 0.13 0.03 0.02 -0.04 3.06 3.20 2kw5A19 TYR 11 HB3 0.06 0.16 0.06 -0.04 2.98 3.21 2kw5A19 TYR 11 HD2 0.13 -0.03 -0.27 -0.04 7.15 6.94 2kw5A19 TYR 11 HE2 0.11 0.02 -0.04 -0.04 6.85 6.90 2kw5A19 VAL 12 H 0.16 0.18 0.05 -0.55 8.24 8.08 2kw5A19 VAL 12 HA -0.02 0.12 0.70 -0.75 4.13 4.17 2kw5A19 VAL 12 HB 0.05 0.03 0.08 -0.04 2.12 2.24 2kw5A19 VAL 12 HG13 0.02 -0.00 -0.02 -0.04 0.97 0.93 2kw5A19 VAL 12 HG23 0.12 0.01 0.13 -0.04 0.95 1.16 2kw5A19 TYR 13 H -0.05 0.42 0.06 -0.55 8.29 8.17 2kw5A19 TYR 13 HA -0.07 0.07 0.59 -0.75 4.56 4.40 2kw5A19 TYR 13 HB2 0.07 0.06 -0.15 -0.04 3.06 3.00 2kw5A19 TYR 13 HB3 0.29 0.01 0.01 -0.04 2.98 3.25 2kw5A19 TYR 13 HD2 -0.28 0.02 -0.01 -0.04 7.15 6.85 2kw5A19 TYR 13 HE2 -0.05 0.03 -0.03 -0.04 6.85 6.76 2kw5A19 GLY 14 H -0.28 0.14 -0.01 -0.55 8.43 7.73 2kw5A19 GLY 14 HA2 -0.32 0.15 0.41 -0.51 4.01 3.74 2kw5A19 GLY 14 HA3 -0.17 0.03 0.38 -0.51 4.01 3.74 2kw5A19 THR 15 H -0.66 0.09 0.10 -0.55 8.28 7.26 2kw5A19 THR 15 HA -0.11 0.09 0.64 -0.75 4.39 4.25 2kw5A19 THR 15 HB -0.04 0.02 0.02 -0.04 4.32 4.28 2kw5A19 THR 15 HG23 -0.03 0.00 0.02 -0.04 1.22 1.16 2kw5A19 GLU 16 H -0.04 0.11 -0.02 -0.55 8.60 8.10 2kw5A19 GLU 16 HA -0.02 0.16 0.42 -0.75 4.29 4.09 2kw5A19 GLU 16 HB2 -0.05 0.11 -0.22 -0.04 2.09 1.89 2kw5A19 GLU 16 HB3 -0.02 -0.03 0.09 -0.04 1.99 1.99 2kw5A19 GLU 16 HG2 -0.01 -0.02 -0.00 -0.04 2.34 2.27 2kw5A19 GLU 16 HG3 0.00 -0.07 -0.01 -0.04 2.34 2.22 2kw5A19 PRO 17 HA 0.04 0.14 0.78 -0.51 4.44 4.89 2kw5A19 PRO 17 HB2 0.09 -0.06 -0.05 -0.04 2.28 2.21 2kw5A19 PRO 17 HB3 0.07 0.06 0.03 -0.04 2.02 2.14 2kw5A19 PRO 17 HG2 0.08 0.05 0.01 -0.04 2.03 2.13 2kw5A19 PRO 17 HG3 0.07 0.06 0.00 -0.04 2.03 2.12 2kw5A19 PRO 17 HD2 0.04 0.16 0.04 -0.04 3.68 3.88 2kw5A19 PRO 17 HD3 0.01 0.00 -0.10 -0.04 3.65 3.52 2kw5A19 ASN 18 H 0.03 0.20 -0.01 -0.55 8.53 8.21 2kw5A19 ASN 18 HA 0.04 0.19 0.77 -0.75 4.76 5.01 2kw5A19 ASN 18 HB2 0.03 0.05 -0.04 -0.04 2.88 2.87 2kw5A19 ASN 18 HB3 0.03 -0.01 0.17 -0.04 2.79 2.93 2kw5A19 ASN 18 HD21 0.02 -0.00 0.01 -0.04 7.03 7.02 2kw5A19 ASN 18 HD22 0.03 -0.01 -0.03 -0.04 7.74 7.69 2kw5A19 ASP 19 H 0.05 0.44 -0.01 -0.55 8.40 8.33 2kw5A19 ASP 19 HA 0.06 0.15 0.53 -0.75 4.63 4.62 2kw5A19 ASP 19 HB2 0.03 0.18 -0.11 -0.04 2.71 2.76 2kw5A19 ASP 19 HB3 0.04 -0.00 -0.18 -0.04 2.70 2.51 2kw5A19 PHE 20 H 0.18 0.16 0.10 -0.55 8.34 8.23 2kw5A19 PHE 20 HA 0.02 0.16 0.35 -0.75 4.62 4.40 2kw5A19 PHE 20 HB2 0.01 0.05 0.10 -0.04 3.15 3.28 2kw5A19 PHE 20 HB3 0.01 -0.06 0.15 -0.04 3.06 3.11 2kw5A19 PHE 20 HD2 0.03 -0.01 -0.08 -0.04 7.28 7.18 2kw5A19 PHE 20 HE2 0.06 -0.02 -0.07 -0.04 7.38 7.32 2kw5A19 PHE 20 HZ 0.08 0.13 -0.04 -0.04 7.32 7.44 2kw5A19 LEU 21 H 0.13 0.07 -0.02 -0.55 8.37 7.99 2kw5A19 LEU 21 HA 0.02 0.12 0.28 -0.75 4.35 4.01 2kw5A19 LEU 21 HB2 0.05 -0.01 0.07 -0.04 1.64 1.71 2kw5A19 LEU 21 HB3 -0.18 -0.03 0.04 -0.04 1.64 1.44 2kw5A19 LEU 21 HG 0.10 0.08 -0.24 -0.04 1.64 1.54 2kw5A19 LEU 21 HD13 0.07 0.01 -0.02 -0.04 0.93 0.94 2kw5A19 LEU 21 HD23 -0.18 0.01 -0.05 -0.04 0.89 0.64 2kw5A19 VAL 22 H 0.00 0.03 -0.13 -0.55 8.24 7.60 2kw5A19 VAL 22 HA 0.24 0.11 0.35 -0.75 4.13 4.07 2kw5A19 VAL 22 HB 0.15 0.10 0.00 -0.04 2.12 2.34 2kw5A19 VAL 22 HG13 0.22 -0.02 -0.05 -0.04 0.97 1.08 2kw5A19 VAL 22 HG23 0.06 -0.01 -0.27 -0.04 0.95 0.70 2kw5A19 SER 23 H -0.01 0.17 -0.69 -0.55 8.46 7.38 2kw5A19 SER 23 HA 0.02 0.12 0.47 -0.75 4.49 4.34 2kw5A19 SER 23 HB2 -0.15 0.16 0.15 -0.04 3.95 4.07 2kw5A19 SER 23 HB3 -0.05 -0.01 0.01 -0.04 3.93 3.83 2kw5A19 VAL 24 H -0.09 0.28 0.01 -0.55 8.24 7.88 2kw5A19 VAL 24 HA -0.06 0.09 0.41 -0.75 4.13 3.82 2kw5A19 VAL 24 HB -0.05 0.00 0.07 -0.04 2.12 2.09 2kw5A19 VAL 24 HG13 -0.28 0.03 0.07 -0.04 0.97 0.75 2kw5A19 VAL 24 HG23 0.01 0.05 -0.07 -0.04 0.95 0.91 2kw5A19 ALA 25 H 0.05 0.41 -0.20 -0.55 8.40 8.12 2kw5A19 ALA 25 HA 0.08 0.05 0.40 -0.75 4.34 4.12 2kw5A19 ALA 25 HB3 0.19 0.03 0.01 -0.04 1.41 1.59 2kw5A19 ASN 26 H 0.06 0.23 -0.39 -0.55 8.53 7.88 2kw5A19 ASN 26 HA 0.10 0.06 0.57 -0.75 4.76 4.74 2kw5A19 ASN 26 HB2 0.10 -0.03 0.14 -0.04 2.88 3.05 2kw5A19 ASN 26 HB3 0.04 0.16 0.13 -0.04 2.79 3.08 2kw5A19 ASN 26 HD21 -0.01 0.01 -0.17 -0.04 7.03 6.82 2kw5A19 ASN 26 HD22 -0.09 -0.03 -0.00 -0.04 7.74 7.58 2kw5A19 GLN 27 H -0.01 0.13 -0.47 -0.55 8.47 7.57 2kw5A19 GLN 27 HA -0.10 0.13 0.66 -0.75 4.36 4.29 2kw5A19 GLN 27 HB2 -0.05 0.07 0.12 -0.04 2.15 2.25 2kw5A19 GLN 27 HB3 -0.09 -0.09 0.08 -0.04 2.02 1.88 2kw5A19 GLN 27 HG2 -0.03 0.14 -0.04 -0.04 2.40 2.43 2kw5A19 GLN 27 HG3 -0.04 -0.12 -0.05 -0.04 2.39 2.14 2kw5A19 GLN 27 HE21 -0.02 -0.02 -0.09 -0.04 6.97 6.80 2kw5A19 GLN 27 HE22 -0.02 -0.02 -0.05 -0.04 7.69 7.55 2kw5A19 ILE 28 H -0.03 0.06 -0.25 -0.55 8.25 7.48 2kw5A19 ILE 28 HA -0.08 0.17 0.74 -0.75 4.18 4.24 2kw5A19 ILE 28 HB -0.01 0.03 0.15 -0.04 1.89 2.01 2kw5A19 ILE 28 HG12 -0.02 0.06 0.01 -0.04 1.49 1.50 2kw5A19 ILE 28 HG13 -0.01 0.29 -0.08 -0.04 1.21 1.37 2kw5A19 ILE 28 HG23 -0.08 0.01 -0.13 -0.04 0.93 0.70 2kw5A19 ILE 28 HD13 0.04 -0.08 -0.14 -0.04 0.88 0.66 2kw5A19 PRO 29 HA -0.16 0.06 0.39 -0.51 4.44 4.22 2kw5A19 PRO 29 HB2 -0.02 -0.15 -0.14 -0.04 2.28 1.93 2kw5A19 PRO 29 HB3 0.04 0.00 0.07 -0.04 2.02 2.08 2kw5A19 PRO 29 HG2 -0.04 0.26 0.08 -0.04 2.03 2.28 2kw5A19 PRO 29 HG3 -0.13 0.05 0.11 -0.04 2.03 2.02 2kw5A19 PRO 29 HD2 -0.07 -0.08 0.25 -0.04 3.68 3.75 2kw5A19 PRO 29 HD3 -0.11 0.34 0.45 -0.04 3.65 4.28 2kw5A19 GLN 30 H 0.05 0.11 0.09 -0.55 8.47 8.18 2kw5A19 GLN 30 HA -0.93 0.17 0.28 -0.75 4.36 3.12 2kw5A19 GLN 30 HB2 0.06 -0.05 0.13 -0.04 2.15 2.26 2kw5A19 GLN 30 HB3 0.14 0.04 0.21 -0.04 2.02 2.36 2kw5A19 GLN 30 HG2 0.17 0.10 0.03 -0.04 2.40 2.66 2kw5A19 GLN 30 HG3 0.10 -0.08 0.08 -0.04 2.39 2.45 2kw5A19 GLN 30 HE21 0.05 -0.13 0.03 -0.04 6.97 6.88 2kw5A19 GLN 30 HE22 -0.01 -0.03 0.03 -0.04 7.69 7.63 2kw5A19 GLY 31 H -0.12 0.28 -0.83 -0.55 8.43 7.21 2kw5A19 GLY 31 HA2 0.04 0.20 0.77 -0.51 4.01 4.51 2kw5A19 GLY 31 HA3 0.02 -0.06 0.28 -0.51 4.01 3.74 2kw5A19 LYS 32 H 0.10 0.12 0.18 -0.55 8.42 8.27 2kw5A19 LYS 32 HA 0.20 0.14 0.57 -0.75 4.32 4.48 2kw5A19 LYS 32 HB2 0.32 -0.22 0.38 -0.04 1.87 2.32 2kw5A19 LYS 32 HB3 0.66 0.05 0.11 -0.04 1.79 2.57 2kw5A19 LYS 32 HG2 0.10 -0.08 0.14 -0.04 1.46 1.58 2kw5A19 LYS 32 HG3 0.06 0.23 0.15 -0.04 1.46 1.85 2kw5A19 LYS 32 HD2 0.15 -0.01 0.03 -0.04 1.69 1.82 2kw5A19 LYS 32 HD3 0.08 -0.01 0.03 -0.04 1.68 1.75 2kw5A19 LYS 32 HE2 0.13 0.03 0.02 -0.04 2.99 3.14 2kw5A19 LYS 32 HE3 0.42 0.03 0.03 -0.04 2.99 3.42 2kw5A19 ILE 33 H 0.11 0.63 0.36 -0.55 8.25 8.80 2kw5A19 ILE 33 HA -0.00 0.37 0.75 -0.75 4.18 4.54 2kw5A19 ILE 33 HB 0.03 -0.09 -0.07 -0.04 1.89 1.73 2kw5A19 ILE 33 HG12 -0.04 0.03 -0.22 -0.04 1.49 1.23 2kw5A19 ILE 33 HG13 0.03 0.22 -0.13 -0.04 1.21 1.28 2kw5A19 ILE 33 HG23 -0.02 -0.04 -0.35 -0.04 0.93 0.49 2kw5A19 ILE 33 HD13 0.06 0.00 -0.18 -0.04 0.88 0.72 2kw5A19 LEU 34 H -0.23 0.50 0.30 -0.55 8.37 8.39 2kw5A19 LEU 34 HA -0.60 0.26 1.03 -0.75 4.35 4.28 2kw5A19 LEU 34 HB2 -2.02 0.01 0.07 -0.04 1.64 -0.34 2kw5A19 LEU 34 HB3 -0.59 -0.05 0.28 -0.04 1.64 1.23 2kw5A19 LEU 34 HG -0.37 -0.05 -0.19 -0.04 1.64 0.99 2kw5A19 LEU 34 HD13 -0.60 0.07 -0.03 -0.04 0.93 0.33 2kw5A19 LEU 34 HD23 -0.45 0.04 0.08 -0.04 0.89 0.52 2kw5A19 CYS 35 H -0.20 0.69 0.19 -0.55 8.50 8.63 2kw5A19 CYS 35 HA -0.09 0.37 0.91 -0.75 4.58 5.02 2kw5A19 CYS 35 HB2 -0.05 0.04 -0.12 -0.04 2.97 2.81 2kw5A19 CYS 35 HB3 -0.06 -0.09 0.03 -0.04 2.97 2.80 2kw5A19 LEU 36 H -0.07 0.57 0.41 -0.55 8.37 8.73 2kw5A19 LEU 36 HA -0.05 0.11 0.77 -0.75 4.35 4.42 2kw5A19 LEU 36 HB2 -0.03 -0.04 0.19 -0.04 1.64 1.72 2kw5A19 LEU 36 HB3 -0.02 -0.07 0.16 -0.04 1.64 1.66 2kw5A19 LEU 36 HG -0.04 0.10 0.02 -0.04 1.64 1.68 2kw5A19 LEU 36 HD13 0.06 -0.01 -0.05 -0.04 0.93 0.88 2kw5A19 LEU 36 HD23 -0.06 0.06 0.00 -0.04 0.89 0.85 2kw5A19 ALA 37 H -0.03 0.11 0.25 -0.55 8.40 8.18 2kw5A19 ALA 37 HA -0.04 -0.17 0.54 -0.75 4.34 3.92 2kw5A19 ALA 37 HB3 -0.02 -0.01 0.19 -0.04 1.41 1.53 2kw5A19 GLU 38 H -0.07 -0.17 0.25 -0.55 8.60 8.07 2kw5A19 GLU 38 HA -0.34 0.42 0.83 -0.75 4.29 4.44 2kw5A19 GLU 38 HB2 -0.24 -0.08 0.11 -0.04 2.09 1.84 2kw5A19 GLU 38 HB3 -0.27 0.17 0.03 -0.04 1.99 1.88 2kw5A19 GLU 38 HG2 -0.08 0.00 -0.02 -0.04 2.34 2.20 2kw5A19 GLU 38 HG3 -0.09 0.20 -0.00 -0.04 2.34 2.41 2kw5A19 GLY 39 H -0.04 -0.11 0.15 -0.55 8.43 7.89 2kw5A19 GLY 39 HA2 0.01 -0.03 0.35 -0.51 4.01 3.83 2kw5A19 GLY 39 HA3 0.03 0.30 0.42 -0.51 4.01 4.25 2kw5A19 GLU 40 H -0.01 0.12 -0.42 -0.55 8.60 7.74 2kw5A19 GLU 40 HA 0.02 0.22 0.36 -0.75 4.29 4.14 2kw5A19 GLU 40 HB2 0.01 -0.28 0.15 -0.04 2.09 1.93 2kw5A19 GLU 40 HB3 0.02 0.10 0.03 -0.04 1.99 2.10 2kw5A19 GLU 40 HG2 0.06 0.11 0.05 -0.04 2.34 2.53 2kw5A19 GLU 40 HG3 0.05 0.01 0.04 -0.04 2.34 2.40 2kw5A19 GLY 41 H -0.00 -0.06 -0.05 -0.55 8.43 7.77 2kw5A19 GLY 41 HA2 0.01 0.06 0.29 -0.51 4.01 3.86 2kw5A19 GLY 41 HA3 0.01 0.23 0.62 -0.51 4.01 4.37 2kw5A19 ARG 42 H 0.01 -0.09 -0.13 -0.55 8.46 7.70 2kw5A19 ARG 42 HA 0.05 0.26 0.35 -0.75 4.34 4.24 2kw5A19 ARG 42 HB2 0.02 0.09 -0.03 -0.04 1.90 1.94 2kw5A19 ARG 42 HB3 0.02 -0.11 0.08 -0.04 1.80 1.75 2kw5A19 ARG 42 HG2 0.02 -0.01 -0.22 -0.04 1.67 1.42 2kw5A19 ARG 42 HG3 0.04 0.09 -0.04 -0.04 1.67 1.71 2kw5A19 ARG 42 HD2 -0.00 -0.05 -0.04 -0.04 3.22 3.09 2kw5A19 ARG 42 HD3 -0.01 0.05 -0.05 -0.04 3.22 3.17 2kw5A19 ASN 43 H 0.01 -0.02 0.03 -0.55 8.53 8.00 2kw5A19 ASN 43 HA 0.07 0.12 0.26 -0.75 4.76 4.46 2kw5A19 ASN 43 HB2 -0.03 -0.06 0.04 -0.04 2.88 2.79 2kw5A19 ASN 43 HB3 0.01 0.11 -0.02 -0.04 2.79 2.85 2kw5A19 ASN 43 HD21 -0.04 0.12 0.04 -0.04 7.03 7.11 2kw5A19 ASN 43 HD22 -0.05 -0.22 0.08 -0.04 7.74 7.51 2kw5A19 ALA 44 H 0.02 -0.09 -0.37 -0.55 8.40 7.42 2kw5A19 ALA 44 HA 0.03 0.12 0.25 -0.75 4.34 3.99 2kw5A19 ALA 44 HB3 0.01 0.03 -0.04 -0.04 1.41 1.36 2kw5A19 CYS 45 H 0.05 0.19 -0.26 -0.55 8.50 7.94 2kw5A19 CYS 45 HA 0.03 0.09 0.28 -0.75 4.58 4.23 2kw5A19 CYS 45 HB2 0.07 0.06 0.02 -0.04 2.97 3.08 2kw5A19 CYS 45 HB3 0.04 0.04 -0.13 -0.04 2.97 2.88 2kw5A19 PHE 46 H 0.19 0.31 -0.36 -0.55 8.34 7.93 2kw5A19 PHE 46 HA 0.01 0.08 0.36 -0.75 4.62 4.33 2kw5A19 PHE 46 HB2 0.02 0.01 0.01 -0.04 3.15 3.16 2kw5A19 PHE 46 HB3 0.03 0.05 0.08 -0.04 3.06 3.17 2kw5A19 PHE 46 HD2 0.03 0.03 -0.15 -0.04 7.28 7.15 2kw5A19 PHE 46 HE2 0.04 0.01 -0.11 -0.04 7.38 7.27 2kw5A19 PHE 46 HZ 0.04 -0.00 -0.07 -0.04 7.32 7.24 2kw5A19 LEU 47 H 0.18 0.43 -0.14 -0.55 8.37 8.29 2kw5A19 LEU 47 HA 0.07 0.06 0.26 -0.75 4.35 3.99 2kw5A19 LEU 47 HB2 0.10 0.07 0.03 -0.04 1.64 1.80 2kw5A19 LEU 47 HB3 0.13 0.04 -0.05 -0.04 1.64 1.72 2kw5A19 LEU 47 HG 0.24 0.07 0.04 -0.04 1.64 1.94 2kw5A19 LEU 47 HD13 0.07 -0.04 -0.15 -0.04 0.93 0.77 2kw5A19 LEU 47 HD23 0.23 -0.00 -0.10 -0.04 0.89 0.97 2kw5A19 ALA 48 H 0.03 0.29 -0.30 -0.55 8.40 7.88 2kw5A19 ALA 48 HA 0.03 0.24 0.64 -0.75 4.34 4.50 2kw5A19 ALA 48 HB3 0.01 0.01 0.12 -0.04 1.41 1.51 2kw5A19 SER 49 H -0.08 0.52 -0.11 -0.55 8.46 8.24 2kw5A19 SER 49 HA -0.11 0.09 0.53 -0.75 4.49 4.25 2kw5A19 SER 49 HB2 -0.12 -0.03 0.13 -0.04 3.95 3.88 2kw5A19 SER 49 HB3 -0.07 -0.01 0.09 -0.04 3.93 3.90 2kw5A19 LEU 50 H -0.23 0.18 -0.68 -0.55 8.37 7.09 2kw5A19 LEU 50 HA -0.28 0.08 0.66 -0.75 4.35 4.05 2kw5A19 LEU 50 HB2 -0.17 0.25 0.04 -0.04 1.64 1.72 2kw5A19 LEU 50 HB3 -0.18 -0.03 0.11 -0.04 1.64 1.50 2kw5A19 LEU 50 HG -0.40 0.28 -0.00 -0.04 1.64 1.48 2kw5A19 LEU 50 HD13 0.12 -0.04 -0.06 -0.04 0.93 0.91 2kw5A19 LEU 50 HD23 -0.37 -0.03 -0.06 -0.04 0.89 0.39 2kw5A19 GLY 51 H -0.26 0.23 -0.42 -0.55 8.43 7.43 2kw5A19 GLY 51 HA2 -0.16 0.00 0.28 -0.51 4.01 3.62 2kw5A19 GLY 51 HA3 -0.31 0.05 0.53 -0.51 4.01 3.77 2kw5A19 TYR 52 H -0.16 0.27 0.13 -0.55 8.29 7.98 2kw5A19 TYR 52 HA 0.03 0.19 0.82 -0.75 4.56 4.84 2kw5A19 TYR 52 HB2 0.02 0.02 -0.12 -0.04 3.06 2.94 2kw5A19 TYR 52 HB3 0.04 0.10 -0.04 -0.04 2.98 3.04 2kw5A19 TYR 52 HD2 0.03 0.06 -0.15 -0.04 7.15 7.05 2kw5A19 TYR 52 HE2 0.05 -0.06 -0.03 -0.04 6.85 6.77 2kw5A19 GLU 53 H 0.19 0.29 0.07 -0.55 8.60 8.61 2kw5A19 GLU 53 HA 0.09 0.12 0.54 -0.75 4.29 4.28 2kw5A19 GLU 53 HB2 0.15 -0.04 0.19 -0.04 2.09 2.34 2kw5A19 GLU 53 HB3 0.13 -0.03 0.02 -0.04 1.99 2.07 2kw5A19 GLU 53 HG2 0.08 0.02 -0.07 -0.04 2.34 2.34 2kw5A19 GLU 53 HG3 0.11 0.06 0.00 -0.04 2.34 2.48 2kw5A19 VAL 54 H 0.06 0.38 0.19 -0.55 8.24 8.33 2kw5A19 VAL 54 HA 0.01 0.31 0.78 -0.75 4.13 4.47 2kw5A19 VAL 54 HB 0.03 0.03 0.16 -0.04 2.12 2.31 2kw5A19 VAL 54 HG13 -0.00 -0.04 -0.18 -0.04 0.97 0.71 2kw5A19 VAL 54 HG23 0.08 0.00 -0.38 -0.04 0.95 0.61 2kw5A19 THR 55 H -0.11 0.78 0.38 -0.55 8.28 8.78 2kw5A19 THR 55 HA -0.01 0.02 0.92 -0.75 4.39 4.56 2kw5A19 THR 55 HB -0.62 -0.01 0.23 -0.04 4.32 3.87 2kw5A19 THR 55 HG23 0.06 -0.01 -0.12 -0.04 1.22 1.11 2kw5A19 ALA 56 H -0.02 0.34 0.19 -0.55 8.40 8.36 2kw5A19 ALA 56 HA -0.07 0.33 0.81 -0.75 4.34 4.66 2kw5A19 ALA 56 HB3 -0.02 -0.05 -0.03 -0.04 1.41 1.28 2kw5A19 VAL 57 H -0.05 0.74 0.31 -0.55 8.24 8.69 2kw5A19 VAL 57 HA 0.02 0.38 0.89 -0.75 4.13 4.67 2kw5A19 VAL 57 HB 0.00 -0.14 0.13 -0.04 2.12 2.08 2kw5A19 VAL 57 HG13 0.08 -0.01 -0.31 -0.04 0.97 0.70 2kw5A19 VAL 57 HG23 0.04 0.06 -0.15 -0.04 0.95 0.86 2kw5A19 ASP 58 H 0.01 0.45 0.16 -0.55 8.40 8.47 2kw5A19 ASP 58 HA -0.01 0.06 1.00 -0.75 4.63 4.93 2kw5A19 ASP 58 HB2 -0.01 0.04 -0.20 -0.04 2.71 2.50 2kw5A19 ASP 58 HB3 0.00 0.15 0.00 -0.04 2.70 2.81 2kw5A19 GLN 59 H 0.00 0.10 0.21 -0.55 8.47 8.24 2kw5A19 GLN 59 HA 0.01 0.10 0.45 -0.75 4.36 4.16 2kw5A19 GLN 59 HB2 0.02 0.09 0.09 -0.04 2.15 2.30 2kw5A19 GLN 59 HB3 0.01 0.05 0.16 -0.04 2.02 2.20 2kw5A19 GLN 59 HG2 0.01 -0.23 0.18 -0.04 2.40 2.32 2kw5A19 GLN 59 HG3 0.01 0.05 -0.00 -0.04 2.39 2.41 2kw5A19 GLN 59 HE21 0.01 -0.21 -0.06 -0.04 6.97 6.66 2kw5A19 GLN 59 HE22 0.04 0.15 -0.10 -0.04 7.69 7.75 2kw5A19 SER 60 H 0.01 -0.03 -0.18 -0.55 8.46 7.71 2kw5A19 SER 60 HA 0.01 0.27 0.92 -0.75 4.49 4.93 2kw5A19 SER 60 HB2 0.01 -0.10 0.10 -0.04 3.95 3.91 2kw5A19 SER 60 HB3 0.01 0.00 0.12 -0.04 3.93 4.03 2kw5A19 SER 61 H 0.01 0.28 0.18 -0.55 8.46 8.39 2kw5A19 SER 61 HA 0.01 0.14 0.52 -0.75 4.49 4.40 2kw5A19 SER 61 HB2 0.01 0.06 0.08 -0.04 3.95 4.06 2kw5A19 SER 61 HB3 0.01 0.09 0.12 -0.04 3.93 4.11 2kw5A19 VAL 62 H 0.01 0.10 -0.13 -0.55 8.24 7.68 2kw5A19 VAL 62 HA 0.01 0.14 0.52 -0.75 4.13 4.04 2kw5A19 VAL 62 HB 0.01 0.10 0.06 -0.04 2.12 2.24 2kw5A19 VAL 62 HG13 0.01 0.02 0.05 -0.04 0.97 1.00 2kw5A19 VAL 62 HG23 0.01 0.01 -0.07 -0.04 0.95 0.86 2kw5A19 GLY 63 H 0.01 0.12 -0.35 -0.55 8.43 7.67 2kw5A19 GLY 63 HA2 0.01 0.22 0.27 -0.51 4.01 4.00 2kw5A19 GLY 63 HA3 0.00 -0.04 0.16 -0.51 4.01 3.63 2kw5A19 LEU 64 H 0.01 0.20 -0.34 -0.55 8.37 7.69 2kw5A19 LEU 64 HA 0.01 0.06 0.50 -0.75 4.35 4.16 2kw5A19 LEU 64 HB2 0.01 0.12 0.14 -0.04 1.64 1.88 2kw5A19 LEU 64 HB3 0.01 0.03 -0.01 -0.04 1.64 1.63 2kw5A19 LEU 64 HG 0.01 0.01 0.05 -0.04 1.64 1.66 2kw5A19 LEU 64 HD13 0.01 0.00 -0.09 -0.04 0.93 0.81 2kw5A19 LEU 64 HD23 0.01 -0.09 -0.03 -0.04 0.89 0.73 2kw5A19 ALA 65 H 0.01 0.58 0.00 -0.55 8.40 8.44 2kw5A19 ALA 65 HA 0.01 0.07 0.56 -0.75 4.34 4.22 2kw5A19 ALA 65 HB3 0.01 0.03 0.11 -0.04 1.41 1.53 2kw5A19 LYS 66 H 0.01 0.43 -0.24 -0.55 8.42 8.06 2kw5A19 LYS 66 HA 0.01 0.05 0.51 -0.75 4.32 4.15 2kw5A19 LYS 66 HB2 0.01 -0.02 0.20 -0.04 1.87 2.02 2kw5A19 LYS 66 HB3 0.02 0.01 0.06 -0.04 1.79 1.83 2kw5A19 LYS 66 HG2 0.01 0.05 0.09 -0.04 1.46 1.56 2kw5A19 LYS 66 HG3 0.01 0.04 0.05 -0.04 1.46 1.53 2kw5A19 LYS 66 HD2 0.01 0.00 0.03 -0.04 1.69 1.70 2kw5A19 LYS 66 HD3 0.01 -0.04 0.03 -0.04 1.68 1.65 2kw5A19 LYS 66 HE2 0.01 0.01 0.01 -0.04 2.99 2.97 2kw5A19 LYS 66 HE3 0.01 0.00 -0.00 -0.04 2.99 2.96 2kw5A19 ALA 67 H 0.01 0.32 -0.26 -0.55 8.40 7.93 2kw5A19 ALA 67 HA 0.02 0.15 0.54 -0.75 4.34 4.30 2kw5A19 ALA 67 HB3 0.01 0.03 0.13 -0.04 1.41 1.54 2kw5A19 LYS 68 H 0.01 0.44 -0.21 -0.55 8.42 8.11 2kw5A19 LYS 68 HA 0.01 0.01 0.27 -0.75 4.32 3.86 2kw5A19 LYS 68 HB2 0.01 0.02 0.13 -0.04 1.87 1.99 2kw5A19 LYS 68 HB3 0.01 0.03 0.21 -0.04 1.79 2.01 2kw5A19 LYS 68 HG2 0.01 0.02 -0.18 -0.04 1.46 1.26 2kw5A19 LYS 68 HG3 0.01 -0.00 0.05 -0.04 1.46 1.48 2kw5A19 LYS 68 HD2 0.01 -0.02 0.02 -0.04 1.69 1.65 2kw5A19 LYS 68 HD3 0.01 -0.01 0.01 -0.04 1.68 1.65 2kw5A19 LYS 68 HE2 0.01 0.01 -0.01 -0.04 2.99 2.96 2kw5A19 LYS 68 HE3 0.01 0.02 0.01 -0.04 2.99 2.99 2kw5A19 GLN 69 H 0.01 0.56 -0.04 -0.55 8.47 8.45 2kw5A19 GLN 69 HA 0.01 0.04 0.38 -0.75 4.36 4.04 2kw5A19 GLN 69 HB2 0.01 0.00 0.13 -0.04 2.15 2.26 2kw5A19 GLN 69 HB3 0.01 0.04 0.17 -0.04 2.02 2.20 2kw5A19 GLN 69 HG2 0.01 0.01 -0.21 -0.04 2.40 2.17 2kw5A19 GLN 69 HG3 0.01 -0.01 0.02 -0.04 2.39 2.37 2kw5A19 GLN 69 HE21 0.01 0.01 -0.05 -0.04 6.97 6.90 2kw5A19 GLN 69 HE22 0.01 -0.02 -0.02 -0.04 7.69 7.62 2kw5A19 LEU 70 H 0.02 0.43 -0.16 -0.55 8.37 8.12 2kw5A19 LEU 70 HA 0.02 0.02 0.40 -0.75 4.35 4.03 2kw5A19 LEU 70 HB2 0.02 -0.03 0.11 -0.04 1.64 1.70 2kw5A19 LEU 70 HB3 0.03 0.17 0.16 -0.04 1.64 1.95 2kw5A19 LEU 70 HG 0.04 0.00 -0.15 -0.04 1.64 1.49 2kw5A19 LEU 70 HD13 0.03 -0.01 0.04 -0.04 0.93 0.94 2kw5A19 LEU 70 HD23 0.04 -0.00 -0.04 -0.04 0.89 0.85 2kw5A19 ALA 71 H 0.02 0.33 -0.39 -0.55 8.40 7.82 2kw5A19 ALA 71 HA 0.01 0.03 0.36 -0.75 4.34 3.99 2kw5A19 ALA 71 HB3 0.01 0.02 -0.11 -0.04 1.41 1.29 2kw5A19 GLN 72 H 0.01 0.48 0.00 -0.55 8.47 8.42 2kw5A19 GLN 72 HA 0.01 0.10 0.38 -0.75 4.36 4.09 2kw5A19 GLN 72 HB2 0.01 0.06 0.18 -0.04 2.15 2.36 2kw5A19 GLN 72 HB3 0.01 0.02 0.12 -0.04 2.02 2.13 2kw5A19 GLN 72 HG2 0.01 0.00 0.02 -0.04 2.40 2.39 2kw5A19 GLN 72 HG3 0.01 0.00 0.07 -0.04 2.39 2.43 2kw5A19 GLN 72 HE21 0.01 0.02 0.02 -0.04 6.97 6.98 2kw5A19 GLN 72 HE22 0.01 -0.05 0.00 -0.04 7.69 7.61 2kw5A19 GLU 73 H 0.01 0.40 -0.30 -0.55 8.60 8.16 2kw5A19 GLU 73 HA 0.01 0.01 0.50 -0.75 4.29 4.05 2kw5A19 GLU 73 HB2 0.01 0.01 0.11 -0.04 2.09 2.17 2kw5A19 GLU 73 HB3 0.01 0.15 0.14 -0.04 1.99 2.25 2kw5A19 GLU 73 HG2 0.01 0.03 -0.18 -0.04 2.34 2.16 2kw5A19 GLU 73 HG3 0.01 -0.04 0.04 -0.04 2.34 2.30 2kw5A19 LYS 74 H 0.01 0.35 -0.24 -0.55 8.42 7.98 2kw5A19 LYS 74 HA 0.00 0.04 0.41 -0.75 4.32 4.02 2kw5A19 LYS 74 HB2 0.01 -0.01 0.11 -0.04 1.87 1.93 2kw5A19 LYS 74 HB3 -0.00 0.05 0.11 -0.04 1.79 1.90 2kw5A19 LYS 74 HG2 -0.02 0.03 0.04 -0.04 1.46 1.47 2kw5A19 LYS 74 HG3 -0.01 -0.03 0.09 -0.04 1.46 1.47 2kw5A19 LYS 74 HD2 -0.01 0.01 -0.02 -0.04 1.69 1.63 2kw5A19 LYS 74 HD3 -0.03 -0.01 0.01 -0.04 1.68 1.62 2kw5A19 LYS 74 HE2 0.02 0.04 -0.02 -0.04 2.99 3.00 2kw5A19 LYS 74 HE3 0.04 -0.08 -0.04 -0.04 2.99 2.87 2kw5A19 GLY 75 H 0.00 0.16 -0.53 -0.55 8.43 7.52 2kw5A19 GLY 75 HA2 -0.00 0.02 0.28 -0.51 4.01 3.80 2kw5A19 GLY 75 HA3 -0.01 0.05 0.61 -0.51 4.01 4.15 2kw5A19 VAL 76 H -0.00 0.54 0.06 -0.55 8.24 8.28 2kw5A19 VAL 76 HA -0.01 0.14 0.56 -0.75 4.13 4.07 2kw5A19 VAL 76 HB -0.02 -0.01 -0.04 -0.04 2.12 2.01 2kw5A19 VAL 76 HG13 -0.04 0.01 -0.25 -0.04 0.97 0.65 2kw5A19 VAL 76 HG23 -0.01 -0.01 -0.16 -0.04 0.95 0.73 2kw5A19 LYS 77 H 0.01 0.25 0.10 -0.55 8.42 8.23 2kw5A19 LYS 77 HA 0.02 0.12 0.83 -0.75 4.32 4.53 2kw5A19 LYS 77 HB2 0.02 0.01 -0.13 -0.04 1.87 1.73 2kw5A19 LYS 77 HB3 0.03 0.01 0.01 -0.04 1.79 1.79 2kw5A19 LYS 77 HG2 0.04 0.05 -0.26 -0.04 1.46 1.24 2kw5A19 LYS 77 HG3 0.02 -0.02 0.06 -0.04 1.46 1.49 2kw5A19 LYS 77 HD2 0.04 -0.02 -0.10 -0.04 1.69 1.57 2kw5A19 LYS 77 HD3 0.03 -0.02 -0.06 -0.04 1.68 1.60 2kw5A19 LYS 77 HE2 0.02 0.01 -0.07 -0.04 2.99 2.91 2kw5A19 LYS 77 HE3 0.02 -0.02 -0.05 -0.04 2.99 2.91 2kw5A19 ILE 78 H 0.02 0.16 0.19 -0.55 8.25 8.07 2kw5A19 ILE 78 HA 0.03 0.39 0.78 -0.75 4.18 4.62 2kw5A19 ILE 78 HB 0.02 -0.06 -0.09 -0.04 1.89 1.71 2kw5A19 ILE 78 HG12 0.02 -0.00 -0.25 -0.04 1.49 1.21 2kw5A19 ILE 78 HG13 0.02 -0.12 -0.45 -0.04 1.21 0.61 2kw5A19 ILE 78 HG23 0.01 -0.02 -0.06 -0.04 0.93 0.82 2kw5A19 ILE 78 HD13 0.02 0.02 -0.27 -0.04 0.88 0.61 2kw5A19 THR 79 H 0.03 0.47 0.28 -0.55 8.28 8.51 2kw5A19 THR 79 HA 0.04 0.15 0.77 -0.75 4.39 4.60 2kw5A19 THR 79 HB 0.09 -0.07 0.13 -0.04 4.32 4.43 2kw5A19 THR 79 HG23 0.10 0.01 -0.09 -0.04 1.22 1.20 2kw5A19 THR 80 H 0.03 0.19 0.05 -0.55 8.28 8.00 2kw5A19 THR 80 HA 0.01 0.23 0.63 -0.75 4.39 4.51 2kw5A19 THR 80 HB 0.01 -0.04 -0.01 -0.04 4.32 4.24 2kw5A19 THR 80 HG23 0.01 0.02 -0.02 -0.04 1.22 1.19 2kw5A19 VAL 81 H 0.02 0.72 0.44 -0.55 8.24 8.87 2kw5A19 VAL 81 HA 0.02 0.12 0.81 -0.75 4.13 4.33 2kw5A19 VAL 81 HB 0.08 -0.05 -0.06 -0.04 2.12 2.06 2kw5A19 VAL 81 HG13 0.08 0.05 -0.10 -0.04 0.97 0.96 2kw5A19 VAL 81 HG23 0.09 0.04 -0.24 -0.04 0.95 0.81 2kw5A19 GLN 82 H 0.02 0.17 0.12 -0.55 8.47 8.23 2kw5A19 GLN 82 HA 0.02 0.05 0.58 -0.75 4.36 4.25 2kw5A19 GLN 82 HB2 0.02 0.00 0.06 -0.04 2.15 2.19 2kw5A19 GLN 82 HB3 0.02 0.02 0.08 -0.04 2.02 2.10 2kw5A19 GLN 82 HG2 0.03 0.13 -0.29 -0.04 2.40 2.22 2kw5A19 GLN 82 HG3 0.02 -0.05 0.01 -0.04 2.39 2.33 2kw5A19 GLN 82 HE21 0.01 -0.05 0.00 -0.04 6.97 6.90 2kw5A19 GLN 82 HE22 0.01 0.01 -0.00 -0.04 7.69 7.67 2kw5A19 SER 83 H 0.03 0.24 0.12 -0.55 8.46 8.31 2kw5A19 SER 83 HA 0.05 0.01 0.30 -0.75 4.49 4.10 2kw5A19 SER 83 HB2 0.03 -0.04 -0.02 -0.04 3.95 3.87 2kw5A19 SER 83 HB3 0.02 -0.06 -0.41 -0.04 3.93 3.44 2kw5A19 ASN 84 H 0.10 0.29 0.11 -0.55 8.53 8.48 2kw5A19 ASN 84 HA 0.05 0.04 0.52 -0.75 4.76 4.62 2kw5A19 ASN 84 HB2 0.10 0.09 0.17 -0.04 2.88 3.20 2kw5A19 ASN 84 HB3 0.07 -0.06 0.08 -0.04 2.79 2.83 2kw5A19 ASN 84 HD21 0.05 0.27 -0.24 -0.04 7.03 7.07 2kw5A19 ASN 84 HD22 0.03 -0.06 -0.20 -0.04 7.74 7.46 2kw5A19 LEU 85 H 0.04 0.17 0.03 -0.55 8.37 8.07 2kw5A19 LEU 85 HA 0.05 0.37 0.36 -0.75 4.35 4.37 2kw5A19 LEU 85 HB2 0.02 -0.03 0.02 -0.04 1.64 1.61 2kw5A19 LEU 85 HB3 0.01 0.08 0.05 -0.04 1.64 1.74 2kw5A19 LEU 85 HG 0.03 -0.12 -0.05 -0.04 1.64 1.46 2kw5A19 LEU 85 HD13 0.01 -0.00 -0.02 -0.04 0.93 0.88 2kw5A19 LEU 85 HD23 0.03 0.07 -0.01 -0.04 0.89 0.94 2kw5A19 ALA 86 H 0.04 0.00 -0.13 -0.55 8.40 7.76 2kw5A19 ALA 86 HA 0.02 0.21 0.59 -0.75 4.34 4.41 2kw5A19 ALA 86 HB3 0.02 0.00 0.03 -0.04 1.41 1.43 2kw5A19 ASP 87 H 0.08 -0.03 -0.61 -0.55 8.40 7.29 2kw5A19 ASP 87 HA 0.07 0.19 0.76 -0.75 4.63 4.89 2kw5A19 ASP 87 HB2 0.06 -0.04 -0.16 -0.04 2.71 2.53 2kw5A19 ASP 87 HB3 0.10 0.07 0.02 -0.04 2.70 2.85 2kw5A19 PHE 88 H 0.15 0.27 0.13 -0.55 8.34 8.33 2kw5A19 PHE 88 HA 0.06 0.08 0.68 -0.75 4.62 4.67 2kw5A19 PHE 88 HB2 0.05 0.06 -0.25 -0.04 3.15 2.97 2kw5A19 PHE 88 HB3 0.05 0.02 0.03 -0.04 3.06 3.12 2kw5A19 PHE 88 HD2 0.08 0.01 -0.13 -0.04 7.28 7.20 2kw5A19 PHE 88 HE2 0.16 -0.01 -0.13 -0.04 7.38 7.36 2kw5A19 PHE 88 HZ 0.66 0.00 -0.13 -0.04 7.32 7.81 2kw5A19 ASP 89 H -0.35 0.11 -0.01 -0.55 8.40 7.60 2kw5A19 ASP 89 HA -0.10 0.12 0.89 -0.75 4.63 4.78 2kw5A19 ASP 89 HB2 -0.04 0.02 0.00 -0.04 2.71 2.65 2kw5A19 ASP 89 HB3 -0.03 0.02 -0.04 -0.04 2.70 2.61 2kw5A19 ILE 90 H -0.18 0.21 0.10 -0.55 8.25 7.83 2kw5A19 ILE 90 HA -0.12 0.09 0.72 -0.75 4.18 4.12 2kw5A19 ILE 90 HB -0.01 0.08 -0.11 -0.04 1.89 1.81 2kw5A19 ILE 90 HG12 -0.04 -0.13 -0.15 -0.04 1.49 1.12 2kw5A19 ILE 90 HG13 -0.04 0.13 -0.17 -0.04 1.21 1.09 2kw5A19 ILE 90 HG23 -0.05 -0.01 -0.20 -0.04 0.93 0.63 2kw5A19 ILE 90 HD13 -0.04 -0.01 -0.14 -0.04 0.88 0.65 2kw5A19 VAL 91 H 0.42 0.17 0.12 -0.55 8.24 8.39 2kw5A19 VAL 91 HA 0.04 0.22 0.87 -0.75 4.13 4.50 2kw5A19 VAL 91 HB -0.03 -0.00 0.03 -0.04 2.12 2.08 2kw5A19 VAL 91 HG13 -0.06 -0.05 0.07 -0.04 0.97 0.89 2kw5A19 VAL 91 HG23 0.09 0.01 -0.16 -0.04 0.95 0.86 2kw5A19 ALA 92 H 0.00 0.07 0.20 -0.55 8.40 8.13 2kw5A19 ALA 92 HA 0.04 0.12 0.61 -0.75 4.34 4.37 2kw5A19 ALA 92 HB3 -0.02 0.06 -0.03 -0.04 1.41 1.37 2kw5A19 ASP 93 H -0.05 -0.09 0.04 -0.55 8.40 7.75 2kw5A19 ASP 93 HA -0.06 0.19 0.44 -0.75 4.63 4.45 2kw5A19 ASP 93 HB2 -0.06 0.01 0.10 -0.04 2.71 2.73 2kw5A19 ASP 93 HB3 -0.10 -0.13 0.14 -0.04 2.70 2.57 2kw5A19 ALA 94 H -0.28 -0.03 -0.02 -0.55 8.40 7.53 2kw5A19 ALA 94 HA -0.39 0.05 0.25 -0.75 4.34 3.51 2kw5A19 ALA 94 HB3 -1.03 -0.01 0.01 -0.04 1.41 0.34 2kw5A19 TRP 95 H -0.18 0.09 -0.70 -0.55 7.97 6.63 2kw5A19 TRP 95 HA 0.02 0.06 0.74 -0.75 4.62 4.69 2kw5A19 TRP 95 HB2 -0.01 0.14 -0.05 -0.04 3.23 3.27 2kw5A19 TRP 95 HB3 0.01 0.20 -0.00 -0.04 3.23 3.40 2kw5A19 TRP 95 HD1 -0.03 0.08 0.14 -0.04 7.22 7.37 2kw5A19 TRP 95 HE1 0.06 -0.05 -0.06 -0.04 10.20 10.11 2kw5A19 TRP 95 HE3 0.04 0.04 -0.22 -0.04 7.59 7.41 2kw5A19 TRP 95 HZ2 0.36 -0.03 -0.10 -0.04 7.44 7.63 2kw5A19 TRP 95 HZ3 0.05 0.01 -0.08 -0.04 7.13 7.06 2kw5A19 TRP 95 HH2 0.09 -0.02 -0.08 -0.04 7.19 7.13 2kw5A19 GLU 96 H 0.24 0.31 0.32 -0.55 8.60 8.92 2kw5A19 GLU 96 HA 0.06 0.21 0.77 -0.75 4.29 4.58 2kw5A19 GLU 96 HB2 0.05 -0.00 0.09 -0.04 2.09 2.20 2kw5A19 GLU 96 HB3 0.06 -0.18 0.13 -0.04 1.99 1.96 2kw5A19 GLU 96 HG2 0.02 -0.07 -0.06 -0.04 2.34 2.19 2kw5A19 GLU 96 HG3 0.02 0.04 -0.23 -0.04 2.34 2.12 2kw5A19 GLY 97 H 0.09 0.38 0.12 -0.55 8.43 8.46 2kw5A19 GLY 97 HA2 -0.01 0.41 0.81 -0.51 4.01 4.71 2kw5A19 GLY 97 HA3 -0.02 0.03 0.31 -0.51 4.01 3.82 2kw5A19 ILE 98 H -0.01 0.36 0.24 -0.55 8.25 8.28 2kw5A19 ILE 98 HA -0.08 0.05 0.84 -0.75 4.18 4.24 2kw5A19 ILE 98 HB 0.00 -0.08 0.10 -0.04 1.89 1.87 2kw5A19 ILE 98 HG12 -0.00 0.01 0.03 -0.04 1.49 1.48 2kw5A19 ILE 98 HG13 0.07 0.06 -0.35 -0.04 1.21 0.95 2kw5A19 ILE 98 HG23 -0.02 0.01 -0.03 -0.04 0.93 0.85 2kw5A19 ILE 98 HD13 0.05 0.04 -0.04 -0.04 0.88 0.89 2kw5A19 VAL 99 H -0.07 0.75 0.29 -0.55 8.24 8.66 2kw5A19 VAL 99 HA 0.03 0.33 0.49 -0.75 4.13 4.22 2kw5A19 VAL 99 HB 0.00 0.16 0.02 -0.04 2.12 2.26 2kw5A19 VAL 99 HG13 -0.03 -0.04 -0.17 -0.04 0.97 0.69 2kw5A19 VAL 99 HG23 0.01 -0.04 -0.10 -0.04 0.95 0.78 2kw5A19 SER 100 H 0.04 0.45 0.14 -0.55 8.46 8.55 2kw5A19 SER 100 HA -0.04 0.04 0.90 -0.75 4.49 4.63 2kw5A19 SER 100 HB2 0.01 -0.08 0.21 -0.04 3.95 4.05 2kw5A19 SER 100 HB3 -0.00 0.03 0.06 -0.04 3.93 3.98 2kw5A19 ILE 101 H -0.12 0.18 -0.03 -0.55 8.25 7.73 2kw5A19 ILE 101 HA -0.09 0.00 0.58 -0.75 4.18 3.92 2kw5A19 ILE 101 HB -0.35 0.05 0.03 -0.04 1.89 1.58 2kw5A19 ILE 101 HG12 -0.09 0.04 -0.04 -0.04 1.49 1.36 2kw5A19 ILE 101 HG13 -0.11 -0.13 -0.02 -0.04 1.21 0.92 2kw5A19 ILE 101 HG23 -0.64 -0.00 0.03 -0.04 0.93 0.28 2kw5A19 ILE 101 HD13 0.01 0.01 -0.06 -0.04 0.88 0.80 2kw5A19 PHE 102 H -0.03 -0.03 0.14 -0.55 8.34 7.86 2kw5A19 PHE 102 HA -0.15 0.04 0.50 -0.75 4.62 4.26 2kw5A19 PHE 102 HB2 0.01 0.14 0.09 -0.04 3.15 3.34 2kw5A19 PHE 102 HB3 -0.04 -0.14 0.21 -0.04 3.06 3.06 2kw5A19 PHE 102 HD2 0.01 -0.01 0.08 -0.04 7.28 7.32 2kw5A19 PHE 102 HE2 -0.03 -0.02 0.05 -0.04 7.38 7.33 2kw5A19 PHE 102 HZ -0.03 -0.04 0.06 -0.04 7.32 7.28 2kw5A19 CYS 103 H -0.18 0.14 0.10 -0.55 8.50 8.01 2kw5A19 CYS 103 HA -0.08 0.14 0.70 -0.75 4.58 4.59 2kw5A19 CYS 103 HB2 -0.12 0.10 -0.05 -0.04 2.97 2.86 2kw5A19 CYS 103 HB3 -0.08 -0.02 0.10 -0.04 2.97 2.92 2kw5A19 HIS 104 H 0.02 0.25 0.08 -0.55 8.41 8.22 2kw5A19 HIS 104 HA -0.00 0.21 0.76 -0.75 4.63 4.85 2kw5A19 HIS 104 HB2 -0.03 -0.04 0.13 -0.04 3.26 3.28 2kw5A19 HIS 104 HB3 -0.07 -0.03 0.03 -0.04 3.20 3.09 2kw5A19 HIS 104 HD2 -0.42 -0.00 0.01 -0.04 6.97 6.51 2kw5A19 HIS 104 HE1 -0.17 0.18 -0.08 -0.04 7.75 7.63 2kw5A19 LEU 105 H 0.03 0.24 -0.03 -0.55 8.37 8.06 2kw5A19 LEU 105 HA 0.03 0.18 0.81 -0.75 4.35 4.60 2kw5A19 LEU 105 HB2 -0.03 -0.01 -0.06 -0.04 1.64 1.50 2kw5A19 LEU 105 HB3 -0.01 -0.02 0.03 -0.04 1.64 1.59 2kw5A19 LEU 105 HG -0.00 -0.05 -0.24 -0.04 1.64 1.31 2kw5A19 LEU 105 HD13 -0.02 0.01 -0.16 -0.04 0.93 0.71 2kw5A19 LEU 105 HD23 0.01 0.02 -0.03 -0.04 0.89 0.84 2kw5A19 PRO 106 HA 0.02 0.09 0.59 -0.51 4.44 4.64 2kw5A19 PRO 106 HB2 0.01 -0.11 0.08 -0.04 2.28 2.21 2kw5A19 PRO 106 HB3 0.01 0.10 0.11 -0.04 2.02 2.20 2kw5A19 PRO 106 HG2 0.01 0.08 0.11 -0.04 2.03 2.19 2kw5A19 PRO 106 HG3 0.01 0.12 0.07 -0.04 2.03 2.20 2kw5A19 PRO 106 HD2 0.01 0.05 0.25 -0.04 3.68 3.95 2kw5A19 PRO 106 HD3 0.02 0.23 0.18 -0.04 3.65 4.03 2kw5A19 SER 107 H 0.02 0.21 0.11 -0.55 8.46 8.25 2kw5A19 SER 107 HA 0.00 0.05 0.27 -0.75 4.49 4.06 2kw5A19 SER 107 HB2 0.01 0.00 0.02 -0.04 3.95 3.95 2kw5A19 SER 107 HB3 0.02 0.08 0.03 -0.04 3.93 4.03 2kw5A19 SER 108 H 0.00 0.02 -0.51 -0.55 8.46 7.42 2kw5A19 SER 108 HA -0.00 0.14 0.43 -0.75 4.49 4.30 2kw5A19 SER 108 HB2 0.00 -0.07 0.05 -0.04 3.95 3.89 2kw5A19 SER 108 HB3 0.00 0.08 0.01 -0.04 3.93 3.98 2kw5A19 LEU 109 H -0.01 0.30 -0.07 -0.55 8.37 8.04 2kw5A19 LEU 109 HA -0.02 0.12 0.21 -0.75 4.35 3.91 2kw5A19 LEU 109 HB2 -0.01 0.05 0.10 -0.04 1.64 1.73 2kw5A19 LEU 109 HB3 -0.02 0.00 -0.02 -0.04 1.64 1.56 2kw5A19 LEU 109 HG 0.00 -0.03 0.01 -0.04 1.64 1.57 2kw5A19 LEU 109 HD13 0.01 0.01 0.03 -0.04 0.93 0.94 2kw5A19 LEU 109 HD23 0.01 0.00 -0.12 -0.04 0.89 0.74 2kw5A19 ARG 110 H -0.05 0.41 -0.25 -0.55 8.46 8.01 2kw5A19 ARG 110 HA -0.26 0.06 0.24 -0.75 4.34 3.63 2kw5A19 ARG 110 HB2 -0.04 -0.00 -0.22 -0.04 1.90 1.60 2kw5A19 ARG 110 HB3 -0.04 -0.12 -0.13 -0.04 1.80 1.47 2kw5A19 ARG 110 HG2 -0.19 -0.03 -0.05 -0.04 1.67 1.36 2kw5A19 ARG 110 HG3 0.08 0.16 0.00 -0.04 1.67 1.87 2kw5A19 ARG 110 HD2 0.01 0.00 -0.34 -0.04 3.22 2.85 2kw5A19 ARG 110 HD3 0.33 0.02 -0.11 -0.04 3.22 3.42 2kw5A19 GLN 111 H -0.07 0.27 0.01 -0.55 8.47 8.13 2kw5A19 GLN 111 HA -0.04 0.06 0.48 -0.75 4.36 4.10 2kw5A19 GLN 111 HB2 0.01 -0.09 0.13 -0.04 2.15 2.16 2kw5A19 GLN 111 HB3 -0.01 0.18 0.07 -0.04 2.02 2.22 2kw5A19 GLN 111 HG2 0.03 -0.03 0.02 -0.04 2.40 2.38 2kw5A19 GLN 111 HG3 0.02 0.03 0.06 -0.04 2.39 2.46 2kw5A19 GLN 111 HE21 0.04 0.01 0.04 -0.04 6.97 7.02 2kw5A19 GLN 111 HE22 0.08 0.02 0.01 -0.04 7.69 7.75 2kw5A19 GLN 112 H -0.09 0.03 -0.85 -0.55 8.47 7.02 2kw5A19 GLN 112 HA -0.02 0.12 0.73 -0.75 4.36 4.44 2kw5A19 GLN 112 HB2 -0.02 0.12 0.09 -0.04 2.15 2.30 2kw5A19 GLN 112 HB3 -0.03 0.01 0.08 -0.04 2.02 2.04 2kw5A19 GLN 112 HG2 -0.01 -0.00 -0.12 -0.04 2.40 2.23 2kw5A19 GLN 112 HG3 -0.00 -0.02 0.04 -0.04 2.39 2.37 2kw5A19 GLN 112 HE21 0.00 0.00 -0.01 -0.04 6.97 6.93 2kw5A19 GLN 112 HE22 0.01 -0.04 -0.01 -0.04 7.69 7.60 2kw5A19 LEU 113 H -0.16 0.23 -0.16 -0.55 8.37 7.73 2kw5A19 LEU 113 HA -0.03 0.02 0.27 -0.75 4.35 3.85 2kw5A19 LEU 113 HB2 -0.08 0.08 0.13 -0.04 1.64 1.73 2kw5A19 LEU 113 HB3 -0.32 0.10 0.22 -0.04 1.64 1.60 2kw5A19 LEU 113 HG 0.17 -0.01 -0.26 -0.04 1.64 1.51 2kw5A19 LEU 113 HD13 0.05 -0.02 -0.05 -0.04 0.93 0.88 2kw5A19 LEU 113 HD23 0.22 -0.02 -0.07 -0.04 0.89 0.98 2kw5A19 TYR 114 H -0.24 0.37 -0.07 -0.55 8.29 7.79 2kw5A19 TYR 114 HA -0.03 -0.01 0.25 -0.75 4.56 4.02 2kw5A19 TYR 114 HB2 0.04 0.07 0.04 -0.04 3.06 3.17 2kw5A19 TYR 114 HB3 0.04 0.06 -0.01 -0.04 2.98 3.04 2kw5A19 TYR 114 HD2 0.12 -0.02 -0.09 -0.04 7.15 7.12 2kw5A19 TYR 114 HE2 0.30 -0.04 -0.08 -0.04 6.85 6.99 2kw5A19 PRO 115 HA 0.10 0.09 0.61 -0.51 4.44 4.72 2kw5A19 PRO 115 HB2 0.04 0.10 -0.01 -0.04 2.28 2.37 2kw5A19 PRO 115 HB3 0.05 -0.01 0.10 -0.04 2.02 2.11 2kw5A19 PRO 115 HG2 0.03 0.12 0.08 -0.04 2.03 2.22 2kw5A19 PRO 115 HG3 0.05 -0.00 0.06 -0.04 2.03 2.09 2kw5A19 PRO 115 HD2 0.03 0.13 -0.60 -0.04 3.68 3.20 2kw5A19 PRO 115 HD3 0.11 0.05 -0.04 -0.04 3.65 3.74 2kw5A19 LYS 116 H 0.03 0.39 -0.38 -0.55 8.42 7.91 2kw5A19 LYS 116 HA 0.01 0.04 0.52 -0.75 4.32 4.14 2kw5A19 LYS 116 HB2 -0.00 0.19 0.14 -0.04 1.87 2.15 2kw5A19 LYS 116 HB3 -0.02 -0.10 0.09 -0.04 1.79 1.72 2kw5A19 LYS 116 HG2 0.00 0.26 0.05 -0.04 1.46 1.73 2kw5A19 LYS 116 HG3 -0.01 -0.05 -0.04 -0.04 1.46 1.32 2kw5A19 LYS 116 HD2 -0.00 -0.04 0.02 -0.04 1.69 1.63 2kw5A19 LYS 116 HD3 0.01 -0.01 -0.08 -0.04 1.68 1.56 2kw5A19 LYS 116 HE2 0.01 -0.02 -0.05 -0.04 2.99 2.90 2kw5A19 LYS 116 HE3 0.01 0.02 -0.05 -0.04 2.99 2.93 2kw5A19 VAL 117 H 0.02 0.29 -0.16 -0.55 8.24 7.84 2kw5A19 VAL 117 HA -0.11 0.05 0.73 -0.75 4.13 4.04 2kw5A19 VAL 117 HB -0.20 0.12 0.07 -0.04 2.12 2.07 2kw5A19 VAL 117 HG13 -0.66 -0.01 -0.09 -0.04 0.97 0.16 2kw5A19 VAL 117 HG23 -0.20 0.06 -0.14 -0.04 0.95 0.62 2kw5A19 TYR 118 H 0.09 0.49 -0.00 -0.55 8.29 8.32 2kw5A19 TYR 118 HA -0.11 0.01 0.36 -0.75 4.56 4.07 2kw5A19 TYR 118 HB2 -0.03 0.19 0.24 -0.04 3.06 3.41 2kw5A19 TYR 118 HB3 -0.03 -0.02 0.18 -0.04 2.98 3.07 2kw5A19 TYR 118 HD2 -0.05 -0.02 0.02 -0.04 7.15 7.06 2kw5A19 TYR 118 HE2 -0.04 -0.18 -0.01 -0.04 6.85 6.57 2kw5A19 GLN 119 H 0.06 0.46 -0.05 -0.55 8.47 8.41 2kw5A19 GLN 119 HA -0.12 0.08 0.65 -0.75 4.36 4.22 2kw5A19 GLN 119 HB2 0.00 0.03 0.14 -0.04 2.15 2.28 2kw5A19 GLN 119 HB3 -0.02 -0.06 0.02 -0.04 2.02 1.92 2kw5A19 GLN 119 HG2 0.03 -0.04 0.02 -0.04 2.40 2.37 2kw5A19 GLN 119 HG3 0.10 0.10 0.11 -0.04 2.39 2.66 2kw5A19 GLN 119 HE21 0.07 0.01 0.03 -0.04 6.97 7.04 2kw5A19 GLN 119 HE22 0.04 -0.05 -0.00 -0.04 7.69 7.63 2kw5A19 GLY 120 H -0.04 0.10 -0.47 -0.55 8.43 7.47 2kw5A19 GLY 120 HA2 -0.04 -0.01 0.29 -0.51 4.01 3.74 2kw5A19 GLY 120 HA3 -0.03 0.09 0.29 -0.51 4.01 3.85 2kw5A19 LEU 121 H -0.08 0.26 -0.14 -0.55 8.37 7.86 2kw5A19 LEU 121 HA -0.03 -0.10 0.34 -0.75 4.35 3.80 2kw5A19 LEU 121 HB2 -0.14 -0.15 0.09 -0.04 1.64 1.40 2kw5A19 LEU 121 HB3 -0.14 0.21 0.03 -0.04 1.64 1.70 2kw5A19 LEU 121 HG -0.09 0.28 -0.25 -0.04 1.64 1.55 2kw5A19 LEU 121 HD13 -0.04 -0.07 -0.14 -0.04 0.93 0.64 2kw5A19 LEU 121 HD23 -0.19 -0.01 -0.17 -0.04 0.89 0.49 2kw5A19 LYS 122 H 0.01 0.05 -0.00 -0.55 8.42 7.93 2kw5A19 LYS 122 HA -0.04 0.13 0.57 -0.75 4.32 4.23 2kw5A19 LYS 122 HB2 0.05 0.00 0.14 -0.04 1.87 2.03 2kw5A19 LYS 122 HB3 0.03 -0.10 -0.22 -0.04 1.79 1.45 2kw5A19 LYS 122 HG2 -0.01 0.01 0.06 -0.04 1.46 1.49 2kw5A19 LYS 122 HG3 0.01 0.11 0.17 -0.04 1.46 1.71 2kw5A19 LYS 122 HD2 0.06 0.14 0.06 -0.04 1.69 1.90 2kw5A19 LYS 122 HD3 0.02 0.18 -0.02 -0.04 1.68 1.81 2kw5A19 LYS 122 HE2 0.03 -0.15 0.15 -0.04 2.99 2.98 2kw5A19 LYS 122 HE3 0.02 -0.09 0.10 -0.04 2.99 2.98 2kw5A19 PRO 123 HA -0.10 -0.04 0.62 -0.51 4.44 4.40 2kw5A19 PRO 123 HB2 -0.01 0.05 0.16 -0.04 2.28 2.45 2kw5A19 PRO 123 HB3 -0.14 -0.03 0.11 -0.04 2.02 1.92 2kw5A19 PRO 123 HG2 -0.11 0.01 0.10 -0.04 2.03 1.99 2kw5A19 PRO 123 HG3 -0.16 0.03 0.09 -0.04 2.03 1.95 2kw5A19 PRO 123 HD2 -0.05 0.09 0.23 -0.04 3.68 3.91 2kw5A19 PRO 123 HD3 -0.09 0.27 0.15 -0.04 3.65 3.94 2kw5A19 GLY 124 H -0.08 0.05 0.29 -0.55 8.43 8.14 2kw5A19 GLY 124 HA2 -0.11 -0.01 0.38 -0.51 4.01 3.76 2kw5A19 GLY 124 HA3 -0.06 0.29 0.86 -0.51 4.01 4.59 2kw5A19 GLY 125 H -0.06 0.28 0.19 -0.55 8.43 8.28 2kw5A19 GLY 125 HA2 -0.02 0.02 1.04 -0.51 4.01 4.54 2kw5A19 GLY 125 HA3 -0.02 0.00 0.30 -0.51 4.01 3.78 2kw5A19 VAL 126 H 0.00 0.70 0.19 -0.55 8.24 8.59 2kw5A19 VAL 126 HA 0.00 0.43 0.89 -0.75 4.13 4.70 2kw5A19 VAL 126 HB 0.02 -0.10 0.05 -0.04 2.12 2.05 2kw5A19 VAL 126 HG13 -0.04 0.07 -0.05 -0.04 0.97 0.91 2kw5A19 VAL 126 HG23 0.01 -0.00 0.11 -0.04 0.95 1.03 2kw5A19 PHE 127 H 0.15 0.24 0.15 -0.55 8.34 8.32 2kw5A19 PHE 127 HA 0.09 0.11 0.88 -0.75 4.62 4.95 2kw5A19 PHE 127 HB2 -0.03 0.07 -0.11 -0.04 3.15 3.03 2kw5A19 PHE 127 HB3 0.13 -0.03 0.08 -0.04 3.06 3.20 2kw5A19 PHE 127 HD2 0.34 -0.00 -0.10 -0.04 7.28 7.48 2kw5A19 PHE 127 HE2 0.14 -0.01 -0.09 -0.04 7.38 7.37 2kw5A19 PHE 127 HZ 0.40 -0.03 -0.10 -0.04 7.32 7.55 2kw5A19 ILE 128 H -0.10 0.59 0.19 -0.55 8.25 8.38 2kw5A19 ILE 128 HA 0.20 0.39 0.82 -0.75 4.18 4.84 2kw5A19 ILE 128 HB 0.05 0.03 0.19 -0.04 1.89 2.12 2kw5A19 ILE 128 HG12 0.14 0.10 -0.00 -0.04 1.49 1.69 2kw5A19 ILE 128 HG13 0.09 -0.05 -0.31 -0.04 1.21 0.91 2kw5A19 ILE 128 HG23 0.39 -0.04 -0.02 -0.04 0.93 1.22 2kw5A19 ILE 128 HD13 0.12 -0.02 -0.07 -0.04 0.88 0.87 2kw5A19 LEU 129 H 0.11 0.30 0.17 -0.55 8.37 8.41 2kw5A19 LEU 129 HA 0.02 0.01 0.90 -0.75 4.35 4.52 2kw5A19 LEU 129 HB2 -0.04 -0.01 0.07 -0.04 1.64 1.62 2kw5A19 LEU 129 HB3 0.19 0.06 -0.02 -0.04 1.64 1.84 2kw5A19 LEU 129 HG -0.26 -0.04 -0.41 -0.04 1.64 0.88 2kw5A19 LEU 129 HD13 0.12 0.02 -0.09 -0.04 0.93 0.93 2kw5A19 LEU 129 HD23 -0.21 0.06 0.01 -0.04 0.89 0.71 2kw5A19 GLU 130 H 0.14 0.20 0.06 -0.55 8.60 8.45 2kw5A19 GLU 130 HA 0.10 0.39 0.96 -0.75 4.29 4.99 2kw5A19 GLU 130 HB2 -0.01 -0.02 -0.07 -0.04 2.09 1.95 2kw5A19 GLU 130 HB3 0.00 -0.02 0.14 -0.04 1.99 2.07 2kw5A19 GLU 130 HG2 -0.23 0.02 -0.17 -0.04 2.34 1.91 2kw5A19 GLU 130 HG3 -0.15 -0.01 -0.03 -0.04 2.34 2.11 2kw5A19 GLY 131 H 0.19 0.22 0.10 -0.55 8.43 8.40 2kw5A19 GLY 131 HA2 -0.18 -0.04 0.26 -0.51 4.01 3.54 2kw5A19 GLY 131 HA3 -0.29 0.21 0.84 -0.51 4.01 4.26 2kw5A19 PHE 132 H 0.02 0.15 0.29 -0.55 8.34 8.25 2kw5A19 PHE 132 HA -0.06 0.17 0.82 -0.75 4.62 4.79 2kw5A19 PHE 132 HB2 -0.05 -0.08 0.07 -0.04 3.15 3.05 2kw5A19 PHE 132 HB3 -0.04 0.02 0.05 -0.04 3.06 3.05 2kw5A19 PHE 132 HD2 -0.00 -0.13 -0.09 -0.04 7.28 7.01 2kw5A19 PHE 132 HE2 0.01 -0.04 -0.14 -0.04 7.38 7.18 2kw5A19 PHE 132 HZ -0.03 0.03 -0.03 -0.04 7.32 7.25 2kw5A19 ALA 133 H 0.07 0.33 0.26 -0.55 8.40 8.51 2kw5A19 ALA 133 HA -0.01 0.19 0.54 -0.75 4.34 4.31 2kw5A19 ALA 133 HB3 -0.10 0.02 0.03 -0.04 1.41 1.31 2kw5A19 PRO 134 HA -0.01 0.17 0.72 -0.51 4.44 4.80 2kw5A19 PRO 134 HB2 -0.02 0.05 0.06 -0.04 2.28 2.33 2kw5A19 PRO 134 HB3 -0.02 0.09 0.13 -0.04 2.02 2.18 2kw5A19 PRO 134 HG2 -0.03 0.14 0.17 -0.04 2.03 2.26 2kw5A19 PRO 134 HG3 -0.02 0.09 0.13 -0.04 2.03 2.18 2kw5A19 PRO 134 HD2 -0.03 0.08 0.37 -0.04 3.68 4.06 2kw5A19 PRO 134 HD3 -0.02 0.09 0.30 -0.04 3.65 3.97 2kw5A19 GLU 135 H -0.04 0.16 0.03 -0.55 8.60 8.20 2kw5A19 GLU 135 HA -0.01 0.17 0.61 -0.75 4.29 4.31 2kw5A19 GLU 135 HB2 0.11 0.05 0.03 -0.04 2.09 2.24 2kw5A19 GLU 135 HB3 0.04 0.06 0.02 -0.04 1.99 2.08 2kw5A19 GLU 135 HG2 0.04 0.08 -0.02 -0.04 2.34 2.40 2kw5A19 GLU 135 HG3 -0.02 -0.11 0.10 -0.04 2.34 2.26 2kw5A19 GLN 136 H -0.14 0.08 -0.49 -0.55 8.47 7.37 2kw5A19 GLN 136 HA -0.50 0.08 0.14 -0.75 4.36 3.33 2kw5A19 GLN 136 HB2 -0.19 -0.06 -0.14 -0.04 2.15 1.73 2kw5A19 GLN 136 HB3 -0.18 -0.04 0.07 -0.04 2.02 1.83 2kw5A19 GLN 136 HG2 -0.35 0.15 -0.33 -0.04 2.40 1.83 2kw5A19 GLN 136 HG3 -0.36 0.11 -0.27 -0.04 2.39 1.83 2kw5A19 GLN 136 HE21 -0.42 0.08 -0.06 -0.04 6.97 6.53 2kw5A19 GLN 136 HE22 -0.34 -0.01 -0.07 -0.04 7.69 7.23 2kw5A19 LEU 137 H -0.14 0.10 -0.07 -0.55 8.37 7.71 2kw5A19 LEU 137 HA -0.12 0.51 0.57 -0.75 4.35 4.55 2kw5A19 LEU 137 HB2 -0.05 -0.14 -0.08 -0.04 1.64 1.33 2kw5A19 LEU 137 HB3 -0.05 -0.07 -0.02 -0.04 1.64 1.45 2kw5A19 LEU 137 HG -0.10 -0.00 -0.02 -0.04 1.64 1.48 2kw5A19 LEU 137 HD13 -0.03 -0.01 -0.34 -0.04 0.93 0.51 2kw5A19 LEU 137 HD23 -0.24 0.01 -0.08 -0.04 0.89 0.54 2kw5A19 GLN 138 H -0.06 0.08 -0.54 -0.55 8.47 7.40 2kw5A19 GLN 138 HA 0.03 0.05 0.32 -0.75 4.36 4.00 2kw5A19 GLN 138 HB2 0.02 -0.04 0.10 -0.04 2.15 2.19 2kw5A19 GLN 138 HB3 0.06 0.16 0.07 -0.04 2.02 2.27 2kw5A19 GLN 138 HG2 0.07 0.05 -0.03 -0.04 2.40 2.45 2kw5A19 GLN 138 HG3 0.04 -0.01 0.07 -0.04 2.39 2.45 2kw5A19 GLN 138 HE21 0.04 0.02 0.01 -0.04 6.97 6.99 2kw5A19 GLN 138 HE22 0.05 -0.01 -0.01 -0.04 7.69 7.68 2kw5A19 TYR 139 H 0.12 0.27 -0.53 -0.55 8.29 7.60 2kw5A19 TYR 139 HA -0.03 0.07 0.40 -0.75 4.56 4.25 2kw5A19 TYR 139 HB2 -0.05 0.13 0.04 -0.04 3.06 3.13 2kw5A19 TYR 139 HB3 -0.04 -0.09 -0.05 -0.04 2.98 2.76 2kw5A19 TYR 139 HD2 -0.04 -0.04 -0.06 -0.04 7.15 6.96 2kw5A19 TYR 139 HE2 -0.04 -0.04 -0.07 -0.04 6.85 6.65 2kw5A19 ASN 140 H 0.07 0.43 -0.40 -0.55 8.53 8.09 2kw5A19 ASN 140 HA 0.02 0.08 0.19 -0.75 4.76 4.31 2kw5A19 ASN 140 HB2 0.03 0.05 -0.20 -0.04 2.88 2.71 2kw5A19 ASN 140 HB3 0.02 0.16 0.04 -0.04 2.79 2.97 2kw5A19 ASN 140 HD21 0.01 0.02 -0.00 -0.04 7.03 7.01 2kw5A19 ASN 140 HD22 0.01 -0.04 0.02 -0.04 7.74 7.69 2kw5A19 THR 141 H 0.08 -0.02 -0.82 -0.55 8.28 6.98 2kw5A19 THR 141 HA 0.01 0.20 0.75 -0.75 4.39 4.61 2kw5A19 THR 141 HB 0.00 0.08 -0.06 -0.04 4.32 4.30 2kw5A19 THR 141 HG23 0.05 0.00 -0.16 -0.04 1.22 1.07 2kw5A19 GLY 142 H 0.04 -0.03 -0.22 -0.55 8.43 7.68 2kw5A19 GLY 142 HA2 -0.03 0.14 0.57 -0.51 4.01 4.18 2kw5A19 GLY 142 HA3 -0.05 0.04 0.30 -0.51 4.01 3.80 2kw5A19 GLY 143 H -0.03 0.24 -0.25 -0.55 8.43 7.85 2kw5A19 GLY 143 HA2 -0.08 0.10 0.41 -0.51 4.01 3.92 2kw5A19 GLY 143 HA3 -0.05 0.04 0.23 -0.51 4.01 3.73 2kw5A19 PRO 144 HA 0.01 0.12 0.36 -0.51 4.44 4.42 2kw5A19 PRO 144 HB2 0.02 -0.06 -0.10 -0.04 2.28 2.10 2kw5A19 PRO 144 HB3 0.02 0.04 0.08 -0.04 2.02 2.12 2kw5A19 PRO 144 HG2 0.05 0.05 -0.34 -0.04 2.03 1.74 2kw5A19 PRO 144 HG3 0.03 0.12 0.00 -0.04 2.03 2.14 2kw5A19 PRO 144 HD2 0.00 0.04 0.03 -0.04 3.68 3.70 2kw5A19 PRO 144 HD3 -0.02 0.15 0.05 -0.04 3.65 3.79 2kw5A19 LYS 145 H 0.00 -0.10 -0.30 -0.55 8.42 7.46 2kw5A19 LYS 145 HA 0.01 0.17 0.23 -0.75 4.32 3.96 2kw5A19 LYS 145 HB2 0.01 0.02 0.11 -0.04 1.87 1.97 2kw5A19 LYS 145 HB3 0.01 0.20 0.10 -0.04 1.79 2.05 2kw5A19 LYS 145 HG2 0.01 -0.12 -0.01 -0.04 1.46 1.30 2kw5A19 LYS 145 HG3 0.01 0.01 -0.13 -0.04 1.46 1.31 2kw5A19 LYS 145 HD2 0.01 -0.01 -0.03 -0.04 1.69 1.62 2kw5A19 LYS 145 HD3 0.01 -0.08 -0.01 -0.04 1.68 1.56 2kw5A19 LYS 145 HE2 0.01 0.08 0.01 -0.04 2.99 3.05 2kw5A19 LYS 145 HE3 0.01 -0.02 -0.00 -0.04 2.99 2.94 2kw5A19 ASP 146 H 0.00 0.07 0.10 -0.55 8.40 8.03 2kw5A19 ASP 146 HA -0.00 0.14 0.43 -0.75 4.63 4.44 2kw5A19 ASP 146 HB2 0.01 0.33 -0.03 -0.04 2.71 2.98 2kw5A19 ASP 146 HB3 0.01 -0.05 -0.14 -0.04 2.70 2.48 2kw5A19 LEU 147 H -0.00 0.25 0.09 -0.55 8.37 8.16 2kw5A19 LEU 147 HA -0.00 0.06 0.35 -0.75 4.35 4.01 2kw5A19 LEU 147 HB2 0.01 0.06 0.06 -0.04 1.64 1.73 2kw5A19 LEU 147 HB3 0.01 0.10 0.19 -0.04 1.64 1.90 2kw5A19 LEU 147 HG -0.03 -0.16 0.06 -0.04 1.64 1.46 2kw5A19 LEU 147 HD13 -0.01 0.04 0.08 -0.04 0.93 1.00 2kw5A19 LEU 147 HD23 -0.06 0.01 -0.09 -0.04 0.89 0.71 2kw5A19 ASP 148 H 0.02 0.02 -0.69 -0.55 8.40 7.20 2kw5A19 ASP 148 HA 0.03 0.13 0.53 -0.75 4.63 4.57 2kw5A19 ASP 148 HB2 0.02 0.02 0.04 -0.04 2.71 2.75 2kw5A19 ASP 148 HB3 0.02 -0.02 -0.00 -0.04 2.70 2.66 2kw5A19 LEU 149 H 0.04 0.44 -0.08 -0.55 8.37 8.22 2kw5A19 LEU 149 HA 0.07 0.03 0.43 -0.75 4.35 4.12 2kw5A19 LEU 149 HB2 0.05 -0.02 -0.01 -0.04 1.64 1.62 2kw5A19 LEU 149 HB3 0.06 0.32 0.19 -0.04 1.64 2.17 2kw5A19 LEU 149 HG 0.02 0.31 0.19 -0.04 1.64 2.12 2kw5A19 LEU 149 HD13 0.02 -0.01 -0.13 -0.04 0.93 0.77 2kw5A19 LEU 149 HD23 0.03 -0.10 0.03 -0.04 0.89 0.80 2kw5A19 LEU 150 H 0.10 0.30 -0.85 -0.55 8.37 7.38 2kw5A19 LEU 150 HA 0.38 0.21 0.80 -0.75 4.35 4.99 2kw5A19 LEU 150 HB2 0.15 0.14 0.25 -0.04 1.64 2.14 2kw5A19 LEU 150 HB3 0.50 -0.06 0.04 -0.04 1.64 2.08 2kw5A19 LEU 150 HG 0.04 -0.16 0.04 -0.04 1.64 1.53 2kw5A19 LEU 150 HD13 0.02 -0.06 0.16 -0.04 0.93 1.01 2kw5A19 LEU 150 HD23 -0.13 0.05 -0.08 -0.04 0.89 0.69 2kw5A19 PRO 151 HA 0.04 0.07 0.75 -0.51 4.44 4.78 2kw5A19 PRO 151 HB2 0.02 0.01 -0.02 -0.04 2.28 2.26 2kw5A19 PRO 151 HB3 0.14 0.04 0.03 -0.04 2.02 2.19 2kw5A19 PRO 151 HG2 0.22 0.01 0.08 -0.04 2.03 2.30 2kw5A19 PRO 151 HG3 0.44 0.03 -0.02 -0.04 2.03 2.44 2kw5A19 PRO 151 HD2 0.52 0.10 0.24 -0.04 3.68 4.50 2kw5A19 PRO 151 HD3 0.26 0.22 -0.21 -0.04 3.65 3.87 2kw5A19 LYS 152 H -0.10 0.14 0.09 -0.55 8.42 8.00 2kw5A19 LYS 152 HA -0.48 0.16 0.42 -0.75 4.32 3.66 2kw5A19 LYS 152 HB2 -0.18 -0.05 0.12 -0.04 1.87 1.73 2kw5A19 LYS 152 HB3 -0.12 0.12 0.08 -0.04 1.79 1.82 2kw5A19 LYS 152 HG2 -0.09 0.04 0.08 -0.04 1.46 1.45 2kw5A19 LYS 152 HG3 -0.12 -0.26 -0.11 -0.04 1.46 0.93 2kw5A19 LYS 152 HD2 -0.05 0.08 0.02 -0.04 1.69 1.70 2kw5A19 LYS 152 HD3 -0.06 0.05 -0.01 -0.04 1.68 1.62 2kw5A19 LYS 152 HE2 -0.08 -0.08 0.00 -0.04 2.99 2.79 2kw5A19 LYS 152 HE3 -0.08 0.01 0.01 -0.04 2.99 2.89 2kw5A19 LEU 153 H -0.31 0.18 0.09 -0.55 8.37 7.79 2kw5A19 LEU 153 HA -0.39 0.11 0.36 -0.75 4.35 3.67 2kw5A19 LEU 153 HB2 -0.19 -0.02 0.02 -0.04 1.64 1.41 2kw5A19 LEU 153 HB3 -0.28 0.09 -0.01 -0.04 1.64 1.41 2kw5A19 LEU 153 HG -0.25 -0.06 -0.00 -0.04 1.64 1.30 2kw5A19 LEU 153 HD13 -0.17 0.02 -0.13 -0.04 0.93 0.62 2kw5A19 LEU 153 HD23 -0.40 0.01 -0.11 -0.04 0.89 0.35 2kw5A19 GLU 154 H -0.15 0.05 -0.21 -0.55 8.60 7.74 2kw5A19 GLU 154 HA -0.08 0.13 0.35 -0.75 4.29 3.94 2kw5A19 GLU 154 HB2 -0.07 -0.04 -0.02 -0.04 2.09 1.92 2kw5A19 GLU 154 HB3 -0.05 0.09 -0.00 -0.04 1.99 1.99 2kw5A19 GLU 154 HG2 -0.09 -0.11 0.02 -0.04 2.34 2.12 2kw5A19 GLU 154 HG3 -0.06 0.05 -0.00 -0.04 2.34 2.29 2kw5A19 THR 155 H -0.12 0.06 -0.47 -0.55 8.28 7.20 2kw5A19 THR 155 HA -0.04 0.11 0.37 -0.75 4.39 4.07 2kw5A19 THR 155 HB -0.08 0.13 0.02 -0.04 4.32 4.34 2kw5A19 THR 155 HG23 0.01 0.02 -0.08 -0.04 1.22 1.13 2kw5A19 LEU 156 H -0.18 0.42 -0.13 -0.55 8.37 7.93 2kw5A19 LEU 156 HA -0.19 0.05 0.13 -0.75 4.35 3.59 2kw5A19 LEU 156 HB2 -0.40 -0.07 0.07 -0.04 1.64 1.20 2kw5A19 LEU 156 HB3 -0.31 0.02 -0.08 -0.04 1.64 1.23 2kw5A19 LEU 156 HG -0.23 0.07 -0.20 -0.04 1.64 1.24 2kw5A19 LEU 156 HD13 -0.35 -0.00 -0.15 -0.04 0.93 0.38 2kw5A19 LEU 156 HD23 -0.31 -0.01 -0.08 -0.04 0.89 0.45 2kw5A19 GLN 157 H -0.20 0.41 0.03 -0.55 8.47 8.16 2kw5A19 GLN 157 HA 0.70 0.17 0.41 -0.75 4.36 4.89 2kw5A19 GLN 157 HB2 -0.23 -0.07 0.10 -0.04 2.15 1.91 2kw5A19 GLN 157 HB3 -0.04 0.05 0.03 -0.04 2.02 2.02 2kw5A19 GLN 157 HG2 0.15 0.01 -0.16 -0.04 2.40 2.36 2kw5A19 GLN 157 HG3 0.48 0.08 0.05 -0.04 2.39 2.96 2kw5A19 GLN 157 HE21 0.09 0.04 -0.03 -0.04 6.97 7.03 2kw5A19 GLN 157 HE22 0.06 -0.03 -0.01 -0.04 7.69 7.67 2kw5A19 SER 158 H -0.01 0.22 -0.56 -0.55 8.46 7.56 2kw5A19 SER 158 HA 0.01 0.07 0.49 -0.75 4.49 4.30 2kw5A19 SER 158 HB2 -0.02 -0.03 0.09 -0.04 3.95 3.96 2kw5A19 SER 158 HB3 -0.03 0.11 0.11 -0.04 3.93 4.08 2kw5A19 GLU 159 H 0.00 0.25 -0.44 -0.55 8.60 7.86 2kw5A19 GLU 159 HA -0.11 0.10 0.75 -0.75 4.29 4.27 2kw5A19 GLU 159 HB2 -0.04 0.20 0.05 -0.04 2.09 2.27 2kw5A19 GLU 159 HB3 -0.02 -0.06 -0.01 -0.04 1.99 1.85 2kw5A19 GLU 159 HG2 0.07 -0.09 -0.03 -0.04 2.34 2.24 2kw5A19 GLU 159 HG3 0.01 -0.03 0.03 -0.04 2.34 2.31 2kw5A19 LEU 160 H 0.06 0.17 -0.52 -0.55 8.37 7.53 2kw5A19 LEU 160 HA 0.08 0.07 0.62 -0.75 4.35 4.36 2kw5A19 LEU 160 HB2 0.32 0.09 0.09 -0.04 1.64 2.11 2kw5A19 LEU 160 HB3 -0.09 -0.07 0.15 -0.04 1.64 1.59 2kw5A19 LEU 160 HG 0.03 -0.00 -0.39 -0.04 1.64 1.24 2kw5A19 LEU 160 HD13 -0.03 -0.04 -0.08 -0.04 0.93 0.74 2kw5A19 LEU 160 HD23 0.05 0.03 0.02 -0.04 0.89 0.95 2kw5A19 PRO 161 HA 0.07 0.21 0.32 -0.51 4.44 4.53 2kw5A19 PRO 161 HB2 0.03 -0.02 -0.02 -0.04 2.28 2.23 2kw5A19 PRO 161 HB3 0.01 0.04 0.08 -0.04 2.02 2.10 2kw5A19 PRO 161 HG2 0.07 -0.03 -0.02 -0.04 2.03 2.02 2kw5A19 PRO 161 HG3 -0.08 0.06 -0.01 -0.04 2.03 1.96 2kw5A19 PRO 161 HD2 -0.32 0.09 -0.10 -0.04 3.68 3.30 2kw5A19 PRO 161 HD3 -0.15 0.20 -0.43 -0.04 3.65 3.23 2kw5A19 SER 162 H 0.21 0.07 -0.28 -0.55 8.46 7.91 2kw5A19 SER 162 HA -0.01 0.11 0.61 -0.75 4.49 4.46 2kw5A19 SER 162 HB2 -0.09 0.02 0.01 -0.04 3.95 3.85 2kw5A19 SER 162 HB3 0.03 -0.00 0.04 -0.04 3.93 3.97 2kw5A19 LEU 163 H -0.05 -0.02 -0.23 -0.55 8.37 7.52 2kw5A19 LEU 163 HA -0.29 0.12 0.69 -0.75 4.35 4.13 2kw5A19 LEU 163 HB2 -0.29 0.01 0.04 -0.04 1.64 1.35 2kw5A19 LEU 163 HB3 -0.41 0.04 0.15 -0.04 1.64 1.38 2kw5A19 LEU 163 HG -1.34 -0.05 -0.03 -0.04 1.64 0.19 2kw5A19 LEU 163 HD13 -0.37 0.02 -0.06 -0.04 0.93 0.47 2kw5A19 LEU 163 HD23 -0.48 -0.03 -0.07 -0.04 0.89 0.28 2kw5A19 ASN 164 H -0.17 0.47 -0.10 -0.55 8.53 8.18 2kw5A19 ASN 164 HA -0.03 0.08 0.66 -0.75 4.76 4.72 2kw5A19 ASN 164 HB2 -0.00 0.07 0.09 -0.04 2.88 2.99 2kw5A19 ASN 164 HB3 -0.05 -0.01 0.11 -0.04 2.79 2.80 2kw5A19 ASN 164 HD21 -0.00 -0.05 -0.28 -0.04 7.03 6.66 2kw5A19 ASN 164 HD22 0.04 0.02 -0.17 -0.04 7.74 7.59 2kw5A19 TRP 165 H 0.30 0.12 0.13 -0.55 7.97 7.98 2kw5A19 TRP 165 HA 0.02 0.09 0.63 -0.75 4.62 4.60 2kw5A19 TRP 165 HB2 0.01 -0.05 -0.01 -0.04 3.23 3.14 2kw5A19 TRP 165 HB3 0.03 -0.01 -0.00 -0.04 3.23 3.20 2kw5A19 TRP 165 HD1 -0.00 -0.07 0.14 -0.04 7.22 7.24 2kw5A19 TRP 165 HE1 -0.02 0.03 0.07 -0.04 10.20 10.25 2kw5A19 TRP 165 HE3 0.07 -0.15 -0.36 -0.04 7.59 7.11 2kw5A19 TRP 165 HZ2 -0.01 0.10 -0.23 -0.04 7.44 7.26 2kw5A19 TRP 165 HZ3 0.23 0.11 -0.10 -0.04 7.13 7.33 2kw5A19 TRP 165 HH2 0.40 -0.04 -0.12 -0.04 7.19 7.39 2kw5A19 LEU 166 H 0.14 0.50 0.33 -0.55 8.37 8.79 2kw5A19 LEU 166 HA 0.07 0.09 0.52 -0.75 4.35 4.27 2kw5A19 LEU 166 HB2 0.04 -0.02 0.03 -0.04 1.64 1.64 2kw5A19 LEU 166 HB3 0.03 -0.02 0.02 -0.04 1.64 1.63 2kw5A19 LEU 166 HG 0.00 0.01 -0.06 -0.04 1.64 1.55 2kw5A19 LEU 166 HD13 -0.02 0.00 -0.08 -0.04 0.93 0.80 2kw5A19 LEU 166 HD23 0.01 0.00 -0.09 -0.04 0.89 0.77 2kw5A19 ILE 167 H 0.20 0.27 -0.01 -0.55 8.25 8.15 2kw5A19 ILE 167 HA 0.08 0.16 0.74 -0.75 4.18 4.40 2kw5A19 ILE 167 HB 0.13 -0.08 -0.07 -0.04 1.89 1.82 2kw5A19 ILE 167 HG12 0.05 0.09 -0.12 -0.04 1.49 1.47 2kw5A19 ILE 167 HG13 0.03 -0.02 -0.40 -0.04 1.21 0.78 2kw5A19 ILE 167 HG23 0.16 -0.00 -0.22 -0.04 0.93 0.83 2kw5A19 ILE 167 HD13 -0.05 -0.01 -0.10 -0.04 0.88 0.68 2kw5A19 ALA 168 H 0.05 0.21 -0.10 -0.55 8.40 8.01 2kw5A19 ALA 168 HA -0.07 0.34 0.56 -0.75 4.34 4.42 2kw5A19 ALA 168 HB3 -0.07 0.01 0.08 -0.04 1.41 1.39 2kw5A19 ASN 169 H -0.00 0.35 0.15 -0.55 8.53 8.47 2kw5A19 ASN 169 HA -0.01 0.17 0.92 -0.75 4.76 5.08 2kw5A19 ASN 169 HB2 0.02 0.03 -0.08 -0.04 2.88 2.82 2kw5A19 ASN 169 HB3 0.03 -0.06 -0.00 -0.04 2.79 2.72 2kw5A19 ASN 169 HD21 0.03 -0.06 -0.09 -0.04 7.03 6.87 2kw5A19 ASN 169 HD22 0.01 0.03 -0.02 -0.04 7.74 7.72 2kw5A19 ASN 170 H -0.02 0.18 0.18 -0.55 8.53 8.33 2kw5A19 ASN 170 HA -0.03 0.25 0.93 -0.75 4.76 5.15 2kw5A19 ASN 170 HB2 -0.03 0.01 0.04 -0.04 2.88 2.86 2kw5A19 ASN 170 HB3 -0.04 -0.02 0.08 -0.04 2.79 2.76 2kw5A19 ASN 170 HD21 -0.02 -0.01 -0.04 -0.04 7.03 6.91 2kw5A19 ASN 170 HD22 -0.02 0.02 0.01 -0.04 7.74 7.71 2kw5A19 LEU 171 H -0.02 0.51 0.13 -0.55 8.37 8.44 2kw5A19 LEU 171 HA -0.02 0.17 0.84 -0.75 4.35 4.59 2kw5A19 LEU 171 HB2 -0.04 -0.11 0.06 -0.04 1.64 1.52 2kw5A19 LEU 171 HB3 -0.03 0.08 -0.02 -0.04 1.64 1.63 2kw5A19 LEU 171 HG -0.02 -0.03 -0.19 -0.04 1.64 1.36 2kw5A19 LEU 171 HD13 -0.06 -0.01 -0.08 -0.04 0.93 0.75 2kw5A19 LEU 171 HD23 -0.00 0.05 -0.22 -0.04 0.89 0.67 2kw5A19 GLU 172 H -0.02 0.20 0.08 -0.55 8.60 8.31 2kw5A19 GLU 172 HA -0.02 0.12 0.73 -0.75 4.29 4.36 2kw5A19 GLU 172 HB2 -0.01 -0.00 0.16 -0.04 2.09 2.19 2kw5A19 GLU 172 HB3 -0.02 0.04 0.04 -0.04 1.99 2.02 2kw5A19 GLU 172 HG2 -0.02 0.01 0.05 -0.04 2.34 2.34 2kw5A19 GLU 172 HG3 -0.02 -0.00 0.05 -0.04 2.34 2.34 2kw5A19 ARG 173 H -0.03 0.45 0.23 -0.55 8.46 8.57 2kw5A19 ARG 173 HA -0.02 0.12 0.64 -0.75 4.34 4.32 2kw5A19 ARG 173 HB2 -0.04 0.04 -0.04 -0.04 1.90 1.82 2kw5A19 ARG 173 HB3 -0.03 -0.16 0.03 -0.04 1.80 1.61 2kw5A19 ARG 173 HG2 -0.01 0.05 -0.32 -0.04 1.67 1.34 2kw5A19 ARG 173 HG3 -0.03 0.05 -0.07 -0.04 1.67 1.57 2kw5A19 ARG 173 HD2 -0.08 -0.01 -0.11 -0.04 3.22 2.98 2kw5A19 ARG 173 HD3 -0.04 -0.06 -0.15 -0.04 3.22 2.93 2kw5A19 ASN 174 H -0.01 0.20 0.09 -0.55 8.53 8.25 2kw5A19 ASN 174 HA -0.01 0.10 0.58 -0.75 4.76 4.68 2kw5A19 ASN 174 HB2 -0.01 -0.02 0.17 -0.04 2.88 2.99 2kw5A19 ASN 174 HB3 -0.01 0.07 0.03 -0.04 2.79 2.84 2kw5A19 ASN 174 HD21 -0.01 -0.05 0.10 -0.04 7.03 7.03 2kw5A19 ASN 174 HD22 -0.01 0.03 0.01 -0.04 7.74 7.73 2kw5A19 LEU 175 H -0.00 0.23 0.15 -0.55 8.37 8.20 2kw5A19 LEU 175 HA 0.02 0.08 0.65 -0.75 4.35 4.34 2kw5A19 LEU 175 HB2 0.01 -0.09 -0.41 -0.04 1.64 1.11 2kw5A19 LEU 175 HB3 0.03 0.06 -0.11 -0.04 1.64 1.59 2kw5A19 LEU 175 HG 0.00 -0.05 -0.28 -0.04 1.64 1.27 2kw5A19 LEU 175 HD13 0.03 -0.02 -0.12 -0.04 0.93 0.77 2kw5A19 LEU 175 HD23 0.05 -0.01 -0.30 -0.04 0.89 0.59 2kw5A19 ASP 176 H 0.01 0.09 0.08 -0.55 8.40 8.03 2kw5A19 ASP 176 HA 0.00 0.05 0.49 -0.75 4.63 4.42 2kw5A19 ASP 176 HB2 -0.01 -0.05 0.11 -0.04 2.71 2.72 2kw5A19 ASP 176 HB3 -0.00 0.11 0.02 -0.04 2.70 2.78 2kw5A19 GLU 177 H 0.00 0.11 0.14 -0.55 8.60 8.32 2kw5A19 GLU 177 HA 0.02 0.06 0.43 -0.75 4.29 4.05 2kw5A19 GLU 177 HB2 0.02 0.17 -0.03 -0.04 2.09 2.22 2kw5A19 GLU 177 HB3 0.00 -0.00 -0.05 -0.04 1.99 1.90 2kw5A19 GLU 177 HG2 0.01 -0.01 -0.08 -0.04 2.34 2.22 2kw5A19 GLU 177 HG3 0.02 0.03 0.03 -0.04 2.34 2.38 2kw5A19 GLY 178 H 0.02 0.15 0.19 -0.55 8.43 8.24 2kw5A19 GLY 178 HA2 -0.01 0.07 0.41 -0.51 4.01 3.97 2kw5A19 GLY 178 HA3 -0.01 0.06 0.29 -0.51 4.01 3.83 2kw5A19 ALA 179 H -0.01 0.15 0.18 -0.55 8.40 8.18 2kw5A19 ALA 179 HA -0.15 0.14 0.67 -0.75 4.34 4.25 2kw5A19 ALA 179 HB3 -0.11 0.00 0.11 -0.04 1.41 1.37 2kw5A19 TYR 180 H 0.06 0.03 0.13 -0.55 8.29 7.96 2kw5A19 TYR 180 HA 0.04 0.20 0.72 -0.75 4.56 4.77 2kw5A19 TYR 180 HB2 -0.09 0.24 0.05 -0.04 3.06 3.22 2kw5A19 TYR 180 HB3 -0.10 -0.16 0.16 -0.04 2.98 2.84 2kw5A19 TYR 180 HD2 0.02 -0.02 -0.01 -0.04 7.15 7.10 2kw5A19 TYR 180 HE2 0.01 0.00 -0.02 -0.04 6.85 6.80 2kw5A19 HIS 181 H 0.34 0.15 0.13 -0.55 8.41 8.48 2kw5A19 HIS 181 HA 0.04 0.13 0.58 -0.75 4.63 4.63 2kw5A19 HIS 181 HB2 0.03 0.04 0.07 -0.04 3.26 3.36 2kw5A19 HIS 181 HB3 0.05 0.03 0.12 -0.04 3.20 3.34 2kw5A19 HIS 181 HD2 0.02 0.02 -0.13 -0.04 6.97 6.83 2kw5A19 HIS 181 HE1 0.02 0.02 0.02 -0.04 7.75 7.76 2kw5A19 GLN 182 H -0.49 -0.05 -0.12 -0.55 8.47 7.27 2kw5A19 GLN 182 HA -0.16 0.23 0.69 -0.75 4.36 4.36 2kw5A19 GLN 182 HB2 -0.20 -0.05 0.08 -0.04 2.15 1.93 2kw5A19 GLN 182 HB3 -0.52 0.04 -0.00 -0.04 2.02 1.50 2kw5A19 GLN 182 HG2 -0.63 -0.09 0.03 -0.04 2.40 1.67 2kw5A19 GLN 182 HG3 -0.30 0.01 -0.20 -0.04 2.39 1.87 2kw5A19 GLN 182 HE21 -0.20 -0.03 -0.05 -0.04 6.97 6.65 2kw5A19 GLN 182 HE22 -0.14 0.03 -0.02 -0.04 7.69 7.51 2kw5A19 GLY 183 H -0.09 0.14 -0.02 -0.55 8.43 7.92 2kw5A19 GLY 183 HA2 -0.04 -0.04 0.31 -0.51 4.01 3.74 2kw5A19 GLY 183 HA3 -0.00 0.16 0.40 -0.51 4.01 4.06 2kw5A19 LYS 184 H -0.04 0.29 0.24 -0.55 8.42 8.36 2kw5A19 LYS 184 HA -0.01 0.03 0.58 -0.75 4.32 4.16 2kw5A19 LYS 184 HB2 -0.02 0.08 0.26 -0.04 1.87 2.14 2kw5A19 LYS 184 HB3 -0.03 0.08 0.02 -0.04 1.79 1.83 2kw5A19 LYS 184 HG2 -0.04 -0.08 -0.08 -0.04 1.46 1.21 2kw5A19 LYS 184 HG3 -0.03 -0.00 -0.28 -0.04 1.46 1.10 2kw5A19 LYS 184 HD2 -0.02 0.03 0.00 -0.04 1.69 1.66 2kw5A19 LYS 184 HD3 -0.03 0.02 -0.02 -0.04 1.68 1.61 2kw5A19 LYS 184 HE2 -0.03 -0.03 -0.08 -0.04 2.99 2.82 2kw5A19 LYS 184 HE3 -0.02 0.02 -0.03 -0.04 2.99 2.92 2kw5A19 ALA 185 H -0.02 0.49 0.40 -0.55 8.40 8.72 2kw5A19 ALA 185 HA -0.03 0.10 0.72 -0.75 4.34 4.38 2kw5A19 ALA 185 HB3 -0.03 -0.00 0.03 -0.04 1.41 1.36 2kw5A19 ALA 186 H -0.03 0.12 0.25 -0.55 8.40 8.20 2kw5A19 ALA 186 HA -0.02 0.16 0.99 -0.75 4.34 4.71 2kw5A19 ALA 186 HB3 -0.03 0.01 0.00 -0.04 1.41 1.36 2kw5A19 LEU 187 H -0.02 0.48 0.32 -0.55 8.37 8.60 2kw5A19 LEU 187 HA 0.03 0.30 0.87 -0.75 4.35 4.80 2kw5A19 LEU 187 HB2 -0.03 0.03 0.16 -0.04 1.64 1.75 2kw5A19 LEU 187 HB3 -0.04 -0.09 0.13 -0.04 1.64 1.60 2kw5A19 LEU 187 HG -0.04 -0.07 -0.04 -0.04 1.64 1.45 2kw5A19 LEU 187 HD13 -0.07 0.00 -0.10 -0.04 0.93 0.73 2kw5A19 LEU 187 HD23 -0.09 0.09 -0.02 -0.04 0.89 0.83 2kw5A19 ILE 188 H 0.11 0.08 0.23 -0.55 8.25 8.12 2kw5A19 ILE 188 HA -0.03 0.26 0.86 -0.75 4.18 4.52 2kw5A19 ILE 188 HB -0.15 0.10 -0.07 -0.04 1.89 1.73 2kw5A19 ILE 188 HG12 -0.00 -0.05 -0.12 -0.04 1.49 1.28 2kw5A19 ILE 188 HG13 -0.10 0.03 0.04 -0.04 1.21 1.13 2kw5A19 ILE 188 HG23 -0.10 -0.00 -0.19 -0.04 0.93 0.60 2kw5A19 ILE 188 HD13 -0.54 0.01 -0.05 -0.04 0.88 0.27 2kw5A19 GLN 189 H -0.01 0.55 0.29 -0.55 8.47 8.76 2kw5A19 GLN 189 HA 0.05 0.13 0.92 -0.75 4.36 4.71 2kw5A19 GLN 189 HB2 0.10 -0.04 0.06 -0.04 2.15 2.23 2kw5A19 GLN 189 HB3 0.24 0.05 -0.03 -0.04 2.02 2.24 2kw5A19 GLN 189 HG2 -0.14 -0.02 -0.01 -0.04 2.40 2.20 2kw5A19 GLN 189 HG3 -0.03 -0.03 -0.04 -0.04 2.39 2.25 2kw5A19 GLN 189 HE21 -0.30 -0.02 -0.04 -0.04 6.97 6.57 2kw5A19 GLN 189 HE22 -0.12 0.00 -0.04 -0.04 7.69 7.50 2kw5A19 LEU 190 H 0.14 0.23 0.23 -0.55 8.37 8.43 2kw5A19 LEU 190 HA 0.03 0.43 0.79 -0.75 4.35 4.85 2kw5A19 LEU 190 HB2 -0.07 -0.19 0.21 -0.04 1.64 1.55 2kw5A19 LEU 190 HB3 -0.20 0.09 0.04 -0.04 1.64 1.54 2kw5A19 LEU 190 HG -0.33 -0.02 -0.37 -0.04 1.64 0.89 2kw5A19 LEU 190 HD13 -0.70 -0.02 -0.08 -0.04 0.93 0.09 2kw5A19 LEU 190 HD23 -1.07 0.03 0.12 -0.04 0.89 -0.06 2kw5A19 LEU 191 H 0.36 0.49 0.20 -0.55 8.37 8.87 2kw5A19 LEU 191 HA 0.25 0.15 0.56 -0.75 4.35 4.55 2kw5A19 LEU 191 HB2 -0.03 0.01 0.00 -0.04 1.64 1.58 2kw5A19 LEU 191 HB3 0.08 -0.11 0.11 -0.04 1.64 1.68 2kw5A19 LEU 191 HG 0.02 -0.01 -0.25 -0.04 1.64 1.36 2kw5A19 LEU 191 HD13 -0.02 0.02 -0.02 -0.04 0.93 0.87 2kw5A19 LEU 191 HD23 -0.12 0.01 -0.12 -0.04 0.89 0.62 2kw5A19 GLY 192 H 0.30 0.36 0.20 -0.55 8.43 8.74 2kw5A19 GLY 192 HA2 -0.22 0.16 0.82 -0.51 4.01 4.25 2kw5A19 GLY 192 HA3 -0.41 0.06 0.37 -0.51 4.01 3.52 2kw5A19 GLN 193 H -0.19 0.43 0.22 -0.55 8.47 8.39 2kw5A19 GLN 193 HA -0.10 0.23 0.40 -0.75 4.36 4.13 2kw5A19 GLN 193 HB2 -0.06 0.02 -0.04 -0.04 2.15 2.03 2kw5A19 GLN 193 HB3 -0.06 -0.06 -0.05 -0.04 2.02 1.81 2kw5A19 GLN 193 HG2 -0.08 -0.03 0.01 -0.04 2.40 2.25 2kw5A19 GLN 193 HG3 -0.10 0.23 -0.09 -0.04 2.39 2.40 2kw5A19 GLN 193 HE21 -0.25 0.15 0.12 -0.04 6.97 6.95 2kw5A19 GLN 193 HE22 -0.29 0.01 0.08 -0.04 7.69 7.45 2kw5A19 LYS 194 H -0.12 0.18 0.12 -0.55 8.42 8.04 2kw5A19 LYS 194 HA -0.13 0.07 0.67 -0.75 4.32 4.18 2kw5A19 LYS 194 HB2 -0.07 0.05 0.04 -0.04 1.87 1.85 2kw5A19 LYS 194 HB3 -0.10 -0.22 0.20 -0.04 1.79 1.63 2kw5A19 LYS 194 HG2 -0.16 0.04 0.10 -0.04 1.46 1.41 2kw5A19 LYS 194 HG3 -0.10 -0.09 -0.01 -0.04 1.46 1.23 2kw5A19 LYS 194 HD2 0.11 -0.02 -0.11 -0.04 1.69 1.64 2kw5A19 LYS 194 HD3 -0.02 0.08 -0.54 -0.04 1.68 1.16 2kw5A19 LYS 194 HE2 -0.34 0.01 -0.05 -0.04 2.99 2.56 2kw5A19 LYS 194 HE3 -0.06 0.03 -0.05 -0.04 2.99 2.87 2kw5A19 LEU 195 H -0.10 0.17 0.21 -0.55 8.37 8.11 2kw5A19 LEU 195 HA -0.04 0.04 0.32 -0.75 4.35 3.92 2kw5A19 LEU 195 HB2 -0.06 -0.03 0.23 -0.04 1.64 1.75 2kw5A19 LEU 195 HB3 -0.04 -0.01 0.07 -0.04 1.64 1.62 2kw5A19 LEU 195 HG -0.10 0.04 0.28 -0.04 1.64 1.82 2kw5A19 LEU 195 HD13 -0.05 -0.00 0.14 -0.04 0.93 0.97 2kw5A19 LEU 195 HD23 -0.09 0.00 0.10 -0.04 0.89 0.86 2kw5A19 GLU 196 H 0.01 0.21 0.25 -0.55 8.60 8.52 2kw5A19 GLU 196 HA 0.15 0.09 0.22 -0.75 4.29 4.00 2kw5A19 GLU 196 HB2 0.01 -0.02 -0.11 -0.04 2.09 1.92 2kw5A19 GLU 196 HB3 0.02 -0.02 0.17 -0.04 1.99 2.11 2kw5A19 GLU 196 HG2 0.04 -0.00 0.05 -0.04 2.34 2.38 2kw5A19 GLU 196 HG3 0.03 -0.03 0.01 -0.04 2.34 2.31 2kw5A19 HIS 197 H 0.10 0.08 -0.83 -0.55 8.41 7.22 2kw5A19 HIS 197 HA -0.15 0.01 0.40 -0.75 4.63 4.13 2kw5A19 HIS 197 HB2 -0.07 -0.01 -0.07 -0.04 3.26 3.08 2kw5A19 HIS 197 HB3 -0.04 0.00 -0.02 -0.04 3.20 3.11 2kw5A19 HIS 197 HD2 -0.09 -0.02 0.01 -0.04 6.97 6.83 2kw5A19 HIS 197 HE1 -0.02 0.00 -0.02 -0.04 7.75 7.67 2kw5A19 HIS 198 H -0.34 0.05 0.19 -0.55 8.41 7.77 2kw5A19 HIS 198 HA -0.07 0.03 0.15 -0.75 4.63 4.00 2kw5A19 HIS 198 HB2 -0.11 -0.04 0.18 -0.04 3.26 3.25 2kw5A19 HIS 198 HB3 -0.07 -0.01 0.03 -0.04 3.20 3.10 2kw5A19 HIS 198 HD2 -0.04 0.04 0.07 -0.04 6.97 6.99 2kw5A19 HIS 198 HE1 -0.00 -0.04 0.04 -0.04 7.75 7.70 2kw5A19 HIS 199 H -0.14 0.14 -0.01 -0.55 8.41 7.85 2kw5A19 HIS 199 HA 0.04 0.08 0.85 -0.75 4.63 4.85 2kw5A19 HIS 199 HB2 -0.10 -0.00 0.05 -0.04 3.26 3.17 2kw5A19 HIS 199 HB3 -0.04 0.15 -0.03 -0.04 3.20 3.24 2kw5A19 HIS 199 HD2 -0.04 0.03 -0.36 -0.04 6.97 6.56 2kw5A19 HIS 199 HE1 -0.18 0.09 -0.06 -0.04 7.75 7.55 2kw5A19 HIS 200 H 0.35 0.12 0.12 -0.55 8.41 8.45 2kw5A19 HIS 200 HA -0.08 -0.00 0.60 -0.75 4.63 4.39 2kw5A19 HIS 200 HB2 -0.12 0.09 0.05 -0.04 3.26 3.24 2kw5A19 HIS 200 HB3 -0.07 -0.00 0.14 -0.04 3.20 3.23 2kw5A19 HIS 200 HD2 0.02 -0.02 0.15 -0.04 6.97 7.09 2kw5A19 HIS 200 HE1 -0.06 -0.19 0.07 -0.04 7.75 7.52 2kw5A19 HIS 201 H 0.01 0.08 0.15 -0.55 8.41 8.10 2kw5A19 HIS 201 HA -0.18 0.09 0.22 -0.75 4.63 4.01 2kw5A19 HIS 201 HB2 -0.14 -0.02 0.13 -0.04 3.26 3.20 2kw5A19 HIS 201 HB3 -0.13 -0.04 0.04 -0.04 3.20 3.03 2kw5A19 HIS 201 HD2 -0.44 -0.00 -0.18 -0.04 6.97 6.30 2kw5A19 HIS 201 HE1 0.04 -0.03 -0.00 -0.04 7.75 7.71 2kw5A19 HIS 202 H -0.05 0.04 -0.46 -0.55 8.41 7.39 2kw5A19 HIS 202 HA -0.09 0.38 0.30 -0.75 4.63 4.46 2kw5A19 HIS 202 HB2 0.08 0.06 0.07 -0.04 3.26 3.43 2kw5A19 HIS 202 HB3 -0.10 0.07 -0.09 -0.04 3.20 3.03 2kw5A19 HIS 202 HD2 -0.41 -0.08 -0.11 -0.04 6.97 6.32 2kw5A19 HIS 202 HE1 0.20 0.08 0.00 -0.04 7.75 7.99