============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 45 1.000 -6.009 14.058 4.738 -99.200 -91.000 PHE 50 1.000 -11.031 6.570 5.346 -99.200 -91.000 TYR 54 0.840 -3.148 -1.393 -0.955 -99.200 -91.000 HIS 55 0.900 -11.996 -0.655 -3.287 -99.200 -91.000 TYR 71 0.840 -0.868 -9.927 -10.449 -99.200 -91.000 TYR 80 0.840 0.329 -1.443 -8.076 -99.200 -91.000 TYR 82 0.840 -0.772 -3.310 3.021 -99.200 -91.000 TYR 83 0.840 0.628 -11.727 0.464 -99.200 -91.000 PHE 84 1.000 -6.124 -8.352 5.310 -99.200 -91.000 TYR 86 0.840 -11.311 -10.405 9.482 -99.200 -91.000 TYR 91 0.840 -8.835 -13.807 4.839 -99.200 -91.000 HIS 108 0.900 8.695 1.647 2.682 -99.200 -91.000 HIS 119 0.900 -13.464 0.036 10.588 -99.200 -91.000 HIS 126 0.900 -13.834 -3.052 3.701 -99.200 -91.000 TYR 143 0.840 1.190 2.362 2.929 -99.200 -91.000 TYR 145 0.840 4.851 0.454 -0.177 -99.200 -91.000 HIS 156 0.900 11.962 -3.611 -5.692 -99.200 -91.000 TRP 158 1.040 12.364 1.335 -3.529 -99.200 -91.000 TRP6 158 1.020 10.315 0.547 -2.677 -99.200 -91.000 HIS 161 0.900 17.469 4.035 3.785 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bqzA1 ARG 192 HA 0.00 -0.06 0.07 -0.75 4.34 3.60 2bqzA1 ARG 192 HB2 0.00 0.01 -0.00 -0.04 1.90 1.87 2bqzA1 ARG 192 HB3 0.00 -0.01 0.04 -0.04 1.80 1.79 2bqzA1 ARG 192 HG2 0.00 -0.02 0.03 -0.04 1.67 1.64 2bqzA1 ARG 192 HG3 0.00 0.00 0.02 -0.04 1.67 1.65 2bqzA1 ARG 192 HD2 0.00 0.01 0.01 -0.04 3.22 3.19 2bqzA1 ARG 192 HD3 0.00 0.01 0.00 -0.04 3.22 3.20 2bqzA1 LYS 193 H 0.00 0.25 0.02 -0.55 8.42 8.14 2bqzA1 LYS 193 HA 0.00 0.03 0.65 -0.75 4.32 4.25 2bqzA1 LYS 193 HB2 0.01 0.03 0.20 -0.04 1.87 2.06 2bqzA1 LYS 193 HB3 0.01 -0.02 0.08 -0.04 1.79 1.82 2bqzA1 LYS 193 HG2 0.00 0.00 0.01 -0.04 1.46 1.43 2bqzA1 LYS 193 HG3 0.00 0.02 0.04 -0.04 1.46 1.48 2bqzA1 LYS 193 HD2 0.00 0.00 0.00 -0.04 1.69 1.66 2bqzA1 LYS 193 HD3 0.00 -0.04 -0.01 -0.04 1.68 1.60 2bqzA1 LYS 193 HE2 0.00 -0.00 -0.01 -0.04 2.99 2.94 2bqzA1 LYS 193 HE3 0.00 0.01 -0.02 -0.04 2.99 2.95 2bqzA1 SER 194 H 0.00 0.23 -0.22 -0.55 8.46 7.93 2bqzA1 SER 194 HA 0.01 0.16 0.44 -0.75 4.49 4.34 2bqzA1 SER 194 HB2 0.00 0.02 0.14 -0.04 3.95 4.07 2bqzA1 SER 194 HB3 0.00 0.16 0.09 -0.04 3.93 4.14 2bqzA1 LYS 195 H 0.01 0.17 0.15 -0.55 8.42 8.18 2bqzA1 LYS 195 HA 0.01 0.17 0.39 -0.75 4.32 4.14 2bqzA1 LYS 195 HB2 0.01 0.08 0.14 -0.04 1.87 2.05 2bqzA1 LYS 195 HB3 0.01 -0.06 0.16 -0.04 1.79 1.86 2bqzA1 LYS 195 HG2 0.01 -0.01 -0.14 -0.04 1.46 1.28 2bqzA1 LYS 195 HG3 0.01 0.02 0.02 -0.04 1.46 1.46 2bqzA1 LYS 195 HD2 0.01 0.03 -0.01 -0.04 1.69 1.68 2bqzA1 LYS 195 HD3 0.01 0.03 0.02 -0.04 1.68 1.70 2bqzA1 LYS 195 HE2 0.01 -0.04 0.03 -0.04 2.99 2.96 2bqzA1 LYS 195 HE3 0.01 -0.01 -0.00 -0.04 2.99 2.95 2bqzA1 ALA 196 H 0.01 0.12 -0.00 -0.55 8.40 7.98 2bqzA1 ALA 196 HA 0.01 0.11 0.39 -0.75 4.34 4.09 2bqzA1 ALA 196 HB3 0.01 0.03 0.07 -0.04 1.41 1.47 2bqzA1 GLU 197 H 0.01 0.06 -0.41 -0.55 8.60 7.71 2bqzA1 GLU 197 HA 0.01 0.07 0.50 -0.75 4.29 4.12 2bqzA1 GLU 197 HB2 0.00 0.01 0.03 -0.04 2.09 2.09 2bqzA1 GLU 197 HB3 0.00 0.06 -0.02 -0.04 1.99 2.00 2bqzA1 GLU 197 HG2 0.00 -0.08 -0.03 -0.04 2.34 2.19 2bqzA1 GLU 197 HG3 0.00 0.05 0.04 -0.04 2.34 2.38 2bqzA1 LEU 198 H 0.01 0.53 -0.21 -0.55 8.37 8.16 2bqzA1 LEU 198 HA 0.01 0.03 0.43 -0.75 4.35 4.06 2bqzA1 LEU 198 HB2 0.01 0.09 0.14 -0.04 1.64 1.84 2bqzA1 LEU 198 HB3 0.01 -0.03 -0.01 -0.04 1.64 1.57 2bqzA1 LEU 198 HG 0.01 0.02 -0.05 -0.04 1.64 1.57 2bqzA1 LEU 198 HD13 0.01 -0.02 -0.03 -0.04 0.93 0.85 2bqzA1 LEU 198 HD23 0.01 -0.02 0.03 -0.04 0.89 0.87 2bqzA1 GLN 199 H 0.01 0.44 -0.30 -0.55 8.47 8.08 2bqzA1 GLN 199 HA 0.02 0.05 0.45 -0.75 4.36 4.14 2bqzA1 GLN 199 HB2 0.01 0.10 0.19 -0.04 2.15 2.41 2bqzA1 GLN 199 HB3 0.02 -0.04 0.00 -0.04 2.02 1.96 2bqzA1 GLN 199 HG2 0.02 -0.02 0.01 -0.04 2.40 2.38 2bqzA1 GLN 199 HG3 0.02 0.17 0.03 -0.04 2.39 2.56 2bqzA1 GLN 199 HE21 0.01 -0.01 -0.02 -0.04 6.97 6.91 2bqzA1 GLN 199 HE22 0.02 0.02 -0.02 -0.04 7.69 7.67 2bqzA1 SER 200 H 0.01 0.61 0.02 -0.55 8.46 8.56 2bqzA1 SER 200 HA 0.02 0.00 0.41 -0.75 4.49 4.17 2bqzA1 SER 200 HB2 0.01 -0.03 0.06 -0.04 3.95 3.94 2bqzA1 SER 200 HB3 0.01 0.01 0.14 -0.04 3.93 4.04 2bqzA1 GLU 201 H 0.01 0.63 -0.18 -0.55 8.60 8.51 2bqzA1 GLU 201 HA 0.00 0.00 0.39 -0.75 4.29 3.93 2bqzA1 GLU 201 HB2 0.00 0.11 0.14 -0.04 2.09 2.30 2bqzA1 GLU 201 HB3 -0.00 -0.03 0.02 -0.04 1.99 1.93 2bqzA1 GLU 201 HG2 -0.00 -0.05 0.03 -0.04 2.34 2.28 2bqzA1 GLU 201 HG3 0.00 0.09 0.09 -0.04 2.34 2.49 2bqzA1 GLU 202 H 0.02 0.50 -0.18 -0.55 8.60 8.38 2bqzA1 GLU 202 HA 0.01 0.01 0.50 -0.75 4.29 4.05 2bqzA1 GLU 202 HB2 0.02 0.04 0.15 -0.04 2.09 2.26 2bqzA1 GLU 202 HB3 0.03 0.10 0.21 -0.04 1.99 2.29 2bqzA1 GLU 202 HG2 0.04 -0.01 -0.02 -0.04 2.34 2.32 2bqzA1 GLU 202 HG3 0.04 -0.05 -0.19 -0.04 2.34 2.10 2bqzA1 ARG 203 H 0.04 0.61 -0.10 -0.55 8.46 8.45 2bqzA1 ARG 203 HA 0.16 0.01 0.38 -0.75 4.34 4.14 2bqzA1 ARG 203 HB2 0.06 0.01 0.13 -0.04 1.90 2.06 2bqzA1 ARG 203 HB3 0.04 0.11 0.21 -0.04 1.80 2.12 2bqzA1 ARG 203 HG2 0.06 -0.01 -0.16 -0.04 1.67 1.52 2bqzA1 ARG 203 HG3 0.13 -0.03 0.06 -0.04 1.67 1.79 2bqzA1 ARG 203 HD2 0.02 0.00 0.02 -0.04 3.22 3.21 2bqzA1 ARG 203 HD3 0.01 -0.04 0.01 -0.04 3.22 3.17 2bqzA1 LYS 204 H 0.01 0.58 -0.13 -0.55 8.42 8.32 2bqzA1 LYS 204 HA -0.00 -0.01 0.35 -0.75 4.32 3.90 2bqzA1 LYS 204 HB2 -0.00 0.06 0.13 -0.04 1.87 2.02 2bqzA1 LYS 204 HB3 -0.01 0.11 0.14 -0.04 1.79 1.98 2bqzA1 LYS 204 HG2 -0.03 -0.01 -0.13 -0.04 1.46 1.26 2bqzA1 LYS 204 HG3 -0.02 -0.04 0.05 -0.04 1.46 1.41 2bqzA1 LYS 204 HD2 -0.01 -0.00 -0.01 -0.04 1.69 1.64 2bqzA1 LYS 204 HD3 -0.01 0.01 -0.02 -0.04 1.68 1.61 2bqzA1 LYS 204 HE2 -0.02 0.00 -0.02 -0.04 2.99 2.91 2bqzA1 LYS 204 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.92 2bqzA1 ARG 205 H -0.03 0.57 -0.15 -0.55 8.46 8.30 2bqzA1 ARG 205 HA -0.07 -0.01 0.42 -0.75 4.34 3.93 2bqzA1 ARG 205 HB2 -0.03 0.06 0.15 -0.04 1.90 2.04 2bqzA1 ARG 205 HB3 -0.04 0.10 0.20 -0.04 1.80 2.02 2bqzA1 ARG 205 HG2 -0.07 -0.02 -0.15 -0.04 1.67 1.39 2bqzA1 ARG 205 HG3 -0.07 -0.04 0.05 -0.04 1.67 1.57 2bqzA1 ARG 205 HD2 -0.01 -0.03 -0.00 -0.04 3.22 3.14 2bqzA1 ARG 205 HD3 -0.02 -0.02 0.00 -0.04 3.22 3.15 2bqzA1 ILE 206 H -0.09 0.61 -0.13 -0.55 8.25 8.09 2bqzA1 ILE 206 HA -0.34 0.01 0.46 -0.75 4.18 3.56 2bqzA1 ILE 206 HB -0.30 0.12 0.14 -0.04 1.89 1.81 2bqzA1 ILE 206 HG12 -0.06 -0.07 0.01 -0.04 1.49 1.33 2bqzA1 ILE 206 HG13 -0.06 0.18 0.09 -0.04 1.21 1.37 2bqzA1 ILE 206 HG23 -0.64 -0.02 -0.16 -0.04 0.93 0.07 2bqzA1 ILE 206 HD13 -0.02 -0.01 -0.05 -0.04 0.88 0.75 2bqzA1 ASP 207 H -0.08 0.71 -0.02 -0.55 8.40 8.46 2bqzA1 ASP 207 HA -0.10 -0.01 0.36 -0.75 4.63 4.13 2bqzA1 ASP 207 HB2 -0.03 0.10 0.13 -0.04 2.71 2.86 2bqzA1 ASP 207 HB3 -0.02 -0.07 -0.00 -0.04 2.70 2.57 2bqzA1 GLU 208 H -0.12 0.64 -0.21 -0.55 8.60 8.37 2bqzA1 GLU 208 HA -0.09 -0.01 0.43 -0.75 4.29 3.86 2bqzA1 GLU 208 HB2 -0.10 0.13 0.16 -0.04 2.09 2.24 2bqzA1 GLU 208 HB3 -0.09 -0.06 0.04 -0.04 1.99 1.84 2bqzA1 GLU 208 HG2 -0.05 -0.07 0.03 -0.04 2.34 2.21 2bqzA1 GLU 208 HG3 -0.06 0.20 0.09 -0.04 2.34 2.53 2bqzA1 LEU 209 H -0.30 0.46 -0.17 -0.55 8.37 7.82 2bqzA1 LEU 209 HA -0.26 -0.00 0.46 -0.75 4.35 3.80 2bqzA1 LEU 209 HB2 -0.95 0.10 0.17 -0.04 1.64 0.92 2bqzA1 LEU 209 HB3 -1.29 -0.02 -0.05 -0.04 1.64 0.24 2bqzA1 LEU 209 HG -0.28 0.05 0.08 -0.04 1.64 1.45 2bqzA1 LEU 209 HD13 -0.33 -0.01 -0.03 -0.04 0.93 0.51 2bqzA1 LEU 209 HD23 -0.15 -0.01 0.01 -0.04 0.89 0.70 2bqzA1 ILE 210 H -0.34 0.60 -0.10 -0.55 8.25 7.86 2bqzA1 ILE 210 HA -0.07 -0.02 0.41 -0.75 4.18 3.74 2bqzA1 ILE 210 HB -0.23 0.11 0.14 -0.04 1.89 1.87 2bqzA1 ILE 210 HG12 0.01 -0.08 -0.05 -0.04 1.49 1.32 2bqzA1 ILE 210 HG13 -0.20 0.06 -0.01 -0.04 1.21 1.01 2bqzA1 ILE 210 HG23 -0.43 -0.01 -0.16 -0.04 0.93 0.29 2bqzA1 ILE 210 HD13 -0.20 -0.02 -0.16 -0.04 0.88 0.46 2bqzA1 GLU 211 H -0.14 0.57 -0.14 -0.55 8.60 8.35 2bqzA1 GLU 211 HA -0.05 0.01 0.30 -0.75 4.29 3.80 2bqzA1 GLU 211 HB2 -0.07 0.06 0.14 -0.04 2.09 2.18 2bqzA1 GLU 211 HB3 -0.04 -0.06 0.00 -0.04 1.99 1.85 2bqzA1 GLU 211 HG2 -0.04 -0.05 0.01 -0.04 2.34 2.21 2bqzA1 GLU 211 HG3 -0.10 0.06 0.08 -0.04 2.34 2.34 2bqzA1 SER 212 H -0.09 0.51 -0.14 -0.55 8.46 8.19 2bqzA1 SER 212 HA -0.04 0.04 0.48 -0.75 4.49 4.21 2bqzA1 SER 212 HB2 -0.05 -0.07 0.10 -0.04 3.95 3.89 2bqzA1 SER 212 HB3 -0.07 0.08 0.15 -0.04 3.93 4.06 2bqzA1 GLY 213 H -0.06 0.39 -0.38 -0.55 8.43 7.84 2bqzA1 GLY 213 HA2 -0.02 0.03 0.28 -0.51 4.01 3.79 2bqzA1 GLY 213 HA3 -0.06 0.02 0.39 -0.51 4.01 3.85 2bqzA1 LYS 214 H -0.03 0.05 -0.37 -0.55 8.42 7.52 2bqzA1 LYS 214 HA -0.00 0.04 0.52 -0.75 4.32 4.13 2bqzA1 LYS 214 HB2 -0.02 0.00 0.11 -0.04 1.87 1.92 2bqzA1 LYS 214 HB3 0.01 -0.06 0.00 -0.04 1.79 1.69 2bqzA1 LYS 214 HG2 -0.03 0.09 -0.06 -0.04 1.46 1.42 2bqzA1 LYS 214 HG3 -0.02 -0.02 0.01 -0.04 1.46 1.38 2bqzA1 LYS 214 HD2 -0.01 -0.05 0.00 -0.04 1.69 1.60 2bqzA1 LYS 214 HD3 -0.01 0.05 -0.00 -0.04 1.68 1.67 2bqzA1 LYS 214 HE2 -0.01 -0.01 -0.00 -0.04 2.99 2.92 2bqzA1 LYS 214 HE3 -0.02 0.05 -0.00 -0.04 2.99 2.98 2bqzA1 GLU 215 H 0.02 0.16 0.10 -0.55 8.60 8.34 2bqzA1 GLU 215 HA 0.10 0.24 0.83 -0.75 4.29 4.72 2bqzA1 GLU 215 HB2 0.01 0.00 0.21 -0.04 2.09 2.28 2bqzA1 GLU 215 HB3 0.03 -0.04 0.14 -0.04 1.99 2.09 2bqzA1 GLU 215 HG2 0.06 0.06 -0.19 -0.04 2.34 2.24 2bqzA1 GLU 215 HG3 0.01 0.36 -0.20 -0.04 2.34 2.46 2bqzA1 GLU 216 H 0.09 0.21 -0.19 -0.55 8.60 8.16 2bqzA1 GLU 216 HA 0.05 0.08 0.54 -0.75 4.29 4.21 2bqzA1 GLU 216 HB2 0.05 0.06 0.01 -0.04 2.09 2.16 2bqzA1 GLU 216 HB3 0.02 -0.03 0.06 -0.04 1.99 2.00 2bqzA1 GLU 216 HG2 0.01 0.01 -0.04 -0.04 2.34 2.29 2bqzA1 GLU 216 HG3 0.03 -0.06 -0.09 -0.04 2.34 2.18 2bqzA1 GLY 217 H 0.04 0.13 0.18 -0.55 8.43 8.23 2bqzA1 GLY 217 HA2 0.03 -0.02 0.26 -0.51 4.01 3.77 2bqzA1 GLY 217 HA3 0.06 0.14 0.39 -0.51 4.01 4.09 2bqzA1 MET 218 H 0.08 0.20 -0.02 -0.55 8.47 8.18 2bqzA1 MET 218 HA 0.10 0.28 1.02 -0.75 4.52 5.16 2bqzA1 MET 218 HB2 0.06 0.05 -0.14 -0.04 2.15 2.08 2bqzA1 MET 218 HB3 0.04 -0.01 -0.13 -0.04 2.03 1.89 2bqzA1 MET 218 HG2 0.04 -0.00 -0.22 -0.04 2.63 2.40 2bqzA1 MET 218 HG3 0.19 0.06 -0.61 -0.04 2.56 2.15 2bqzA1 MET 218 HE3 0.06 0.06 -0.18 -0.04 2.10 2.01 2bqzA1 LYS 219 H 0.04 0.65 0.31 -0.55 8.42 8.87 2bqzA1 LYS 219 HA 0.02 0.13 0.70 -0.75 4.32 4.42 2bqzA1 LYS 219 HB2 0.02 -0.04 -0.15 -0.04 1.87 1.65 2bqzA1 LYS 219 HB3 0.02 0.01 -0.07 -0.04 1.79 1.70 2bqzA1 LYS 219 HG2 0.01 0.11 0.13 -0.04 1.46 1.67 2bqzA1 LYS 219 HG3 0.01 -0.01 0.15 -0.04 1.46 1.57 2bqzA1 LYS 219 HD2 0.01 -0.04 -0.03 -0.04 1.69 1.59 2bqzA1 LYS 219 HD3 0.01 0.03 -0.02 -0.04 1.68 1.66 2bqzA1 LYS 219 HE2 0.00 0.02 0.04 -0.04 2.99 3.01 2bqzA1 LYS 219 HE3 0.01 -0.02 0.04 -0.04 2.99 2.97 2bqzA1 ILE 220 H 0.01 0.11 0.18 -0.55 8.25 8.00 2bqzA1 ILE 220 HA 0.01 0.31 0.86 -0.75 4.18 4.61 2bqzA1 ILE 220 HB 0.00 -0.05 0.13 -0.04 1.89 1.93 2bqzA1 ILE 220 HG12 0.01 0.08 -0.03 -0.04 1.49 1.50 2bqzA1 ILE 220 HG13 0.01 -0.11 -0.02 -0.04 1.21 1.04 2bqzA1 ILE 220 HG23 0.00 0.02 -0.00 -0.04 0.93 0.91 2bqzA1 ILE 220 HD13 -0.00 0.01 -0.02 -0.04 0.88 0.83 2bqzA1 ASP 221 H 0.00 0.61 0.37 -0.55 8.40 8.83 2bqzA1 ASP 221 HA -0.00 0.09 0.50 -0.75 4.63 4.47 2bqzA1 ASP 221 HB2 0.00 0.03 -0.18 -0.04 2.71 2.52 2bqzA1 ASP 221 HB3 -0.00 -0.02 -0.17 -0.04 2.70 2.46 2bqzA1 LEU 222 H -0.01 0.14 0.13 -0.55 8.37 8.09 2bqzA1 LEU 222 HA -0.01 0.22 0.82 -0.75 4.35 4.62 2bqzA1 LEU 222 HB2 -0.01 -0.04 0.12 -0.04 1.64 1.67 2bqzA1 LEU 222 HB3 -0.01 0.02 -0.02 -0.04 1.64 1.58 2bqzA1 LEU 222 HG -0.01 -0.04 -0.01 -0.04 1.64 1.55 2bqzA1 LEU 222 HD13 -0.01 -0.00 -0.01 -0.04 0.93 0.87 2bqzA1 LEU 222 HD23 -0.01 0.01 -0.10 -0.04 0.89 0.75 2bqzA1 ILE 223 H -0.03 0.86 0.25 -0.55 8.25 8.78 2bqzA1 ILE 223 HA -0.03 0.10 0.75 -0.75 4.18 4.24 2bqzA1 ILE 223 HB -0.06 0.05 -0.13 -0.04 1.89 1.71 2bqzA1 ILE 223 HG12 -0.03 0.05 -0.35 -0.04 1.49 1.12 2bqzA1 ILE 223 HG13 -0.04 -0.00 -0.17 -0.04 1.21 0.96 2bqzA1 ILE 223 HG23 -0.06 0.03 -0.18 -0.04 0.93 0.69 2bqzA1 ILE 223 HD13 -0.02 0.02 -0.27 -0.04 0.88 0.57 2bqzA1 ASP 224 H -0.03 0.16 0.12 -0.55 8.40 8.10 2bqzA1 ASP 224 HA -0.03 -0.03 0.37 -0.75 4.63 4.19 2bqzA1 ASP 224 HB2 -0.02 0.02 0.16 -0.04 2.71 2.82 2bqzA1 ASP 224 HB3 -0.03 0.03 0.13 -0.04 2.70 2.79 2bqzA1 GLY 225 H -0.04 0.09 0.23 -0.55 8.43 8.17 2bqzA1 GLY 225 HA2 -0.04 -0.01 0.38 -0.51 4.01 3.82 2bqzA1 GLY 225 HA3 -0.06 0.10 0.45 -0.51 4.01 3.99 2bqzA1 LYS 226 H -0.09 0.44 -0.16 -0.55 8.42 8.06 2bqzA1 LYS 226 HA -0.26 0.21 1.06 -0.75 4.32 4.58 2bqzA1 LYS 226 HB2 -0.13 0.02 -0.18 -0.04 1.87 1.54 2bqzA1 LYS 226 HB3 -0.23 -0.01 0.05 -0.04 1.79 1.56 2bqzA1 LYS 226 HG2 -0.27 0.03 -0.22 -0.04 1.46 0.96 2bqzA1 LYS 226 HG3 -0.14 0.15 -0.33 -0.04 1.46 1.10 2bqzA1 LYS 226 HD2 -0.13 -0.03 -0.10 -0.04 1.69 1.39 2bqzA1 LYS 226 HD3 -0.22 -0.05 -0.02 -0.04 1.68 1.36 2bqzA1 LYS 226 HE2 -0.13 -0.00 -0.03 -0.04 2.99 2.79 2bqzA1 LYS 226 HE3 -0.09 0.04 -0.06 -0.04 2.99 2.84 2bqzA1 GLY 227 H -0.07 0.02 0.16 -0.55 8.43 8.00 2bqzA1 GLY 227 HA2 -0.03 -0.05 0.36 -0.51 4.01 3.78 2bqzA1 GLY 227 HA3 -0.05 0.19 0.90 -0.51 4.01 4.54 2bqzA1 ARG 228 H -0.01 0.13 0.21 -0.55 8.46 8.24 2bqzA1 ARG 228 HA -0.01 0.13 0.87 -0.75 4.34 4.57 2bqzA1 ARG 228 HB2 0.02 0.04 0.10 -0.04 1.90 2.02 2bqzA1 ARG 228 HB3 0.01 0.04 0.11 -0.04 1.80 1.92 2bqzA1 ARG 228 HG2 0.00 -0.02 -0.00 -0.04 1.67 1.61 2bqzA1 ARG 228 HG3 0.01 -0.09 0.05 -0.04 1.67 1.60 2bqzA1 ARG 228 HD2 0.01 0.02 0.00 -0.04 3.22 3.22 2bqzA1 ARG 228 HD3 0.01 -0.03 0.00 -0.04 3.22 3.16 2bqzA1 GLY 229 H -0.01 0.54 0.43 -0.55 8.43 8.85 2bqzA1 GLY 229 HA2 0.00 0.43 0.63 -0.51 4.01 4.56 2bqzA1 GLY 229 HA3 -0.02 -0.05 0.34 -0.51 4.01 3.77 2bqzA1 VAL 230 H 0.01 0.21 0.19 -0.55 8.24 8.10 2bqzA1 VAL 230 HA 0.01 0.30 1.05 -0.75 4.13 4.74 2bqzA1 VAL 230 HB 0.02 -0.06 0.03 -0.04 2.12 2.07 2bqzA1 VAL 230 HG13 0.01 -0.00 -0.21 -0.04 0.97 0.72 2bqzA1 VAL 230 HG23 0.03 0.04 -0.33 -0.04 0.95 0.65 2bqzA1 ILE 231 H 0.02 0.77 0.32 -0.55 8.25 8.81 2bqzA1 ILE 231 HA 0.01 0.19 0.88 -0.75 4.18 4.51 2bqzA1 ILE 231 HB 0.02 -0.02 -0.06 -0.04 1.89 1.79 2bqzA1 ILE 231 HG12 0.00 -0.01 -0.46 -0.04 1.49 0.98 2bqzA1 ILE 231 HG13 0.00 -0.01 -0.28 -0.04 1.21 0.88 2bqzA1 ILE 231 HG23 0.02 0.06 -0.32 -0.04 0.93 0.66 2bqzA1 ILE 231 HD13 0.00 0.03 -0.16 -0.04 0.88 0.70 2bqzA1 ALA 232 H 0.04 0.67 0.21 -0.55 8.40 8.78 2bqzA1 ALA 232 HA 0.17 0.25 0.79 -0.75 4.34 4.81 2bqzA1 ALA 232 HB3 0.18 0.04 0.08 -0.04 1.41 1.66 2bqzA1 THR 233 H 0.14 0.68 0.16 -0.55 8.28 8.71 2bqzA1 THR 233 HA 0.04 0.15 0.89 -0.75 4.39 4.71 2bqzA1 THR 233 HB 0.02 -0.01 0.09 -0.04 4.32 4.37 2bqzA1 THR 233 HG23 0.04 0.03 -0.30 -0.04 1.22 0.95 2bqzA1 LYS 234 H 0.07 0.32 0.11 -0.55 8.42 8.36 2bqzA1 LYS 234 HA -0.05 0.10 0.66 -0.75 4.32 4.28 2bqzA1 LYS 234 HB2 -0.16 -0.00 0.14 -0.04 1.87 1.81 2bqzA1 LYS 234 HB3 -0.09 -0.01 -0.13 -0.04 1.79 1.52 2bqzA1 LYS 234 HG2 -0.25 -0.06 0.05 -0.04 1.46 1.15 2bqzA1 LYS 234 HG3 -0.72 0.20 -0.36 -0.04 1.46 0.54 2bqzA1 LYS 234 HD2 -0.23 -0.02 -0.02 -0.04 1.69 1.39 2bqzA1 LYS 234 HD3 -0.17 -0.12 -0.10 -0.04 1.68 1.25 2bqzA1 LYS 234 HE2 -0.27 -0.06 -0.04 -0.04 2.99 2.58 2bqzA1 LYS 234 HE3 -0.60 0.08 -0.09 -0.04 2.99 2.34 2bqzA1 GLN 235 H -0.09 0.09 0.14 -0.55 8.47 8.07 2bqzA1 GLN 235 HA 0.03 0.28 0.74 -0.75 4.36 4.66 2bqzA1 GLN 235 HB2 -0.06 -0.04 0.11 -0.04 2.15 2.11 2bqzA1 GLN 235 HB3 -0.01 0.06 -0.00 -0.04 2.02 2.03 2bqzA1 GLN 235 HG2 0.00 -0.03 0.09 -0.04 2.40 2.43 2bqzA1 GLN 235 HG3 -0.02 -0.05 0.09 -0.04 2.39 2.37 2bqzA1 GLN 235 HE21 -0.01 0.01 0.00 -0.04 6.97 6.93 2bqzA1 GLN 235 HE22 -0.01 -0.01 0.03 -0.04 7.69 7.65 2bqzA1 PHE 236 H 0.21 0.57 0.36 -0.55 8.34 8.93 2bqzA1 PHE 236 HA 0.01 0.15 0.79 -0.75 4.62 4.82 2bqzA1 PHE 236 HB2 0.00 -0.06 0.14 -0.04 3.15 3.20 2bqzA1 PHE 236 HB3 0.01 0.05 0.03 -0.04 3.06 3.10 2bqzA1 PHE 236 HD2 0.01 0.02 -0.08 -0.04 7.28 7.19 2bqzA1 PHE 236 HE2 0.02 0.08 0.07 -0.04 7.38 7.51 2bqzA1 PHE 236 HZ 0.01 0.13 0.00 -0.04 7.32 7.42 2bqzA1 SER 237 H 0.10 0.17 0.09 -0.55 8.46 8.27 2bqzA1 SER 237 HA 0.06 0.08 0.85 -0.75 4.49 4.73 2bqzA1 SER 237 HB2 0.05 0.01 0.02 -0.04 3.95 3.99 2bqzA1 SER 237 HB3 0.04 0.07 0.02 -0.04 3.93 4.01 2bqzA1 ARG 238 H 0.04 0.06 -0.02 -0.55 8.46 7.98 2bqzA1 ARG 238 HA 0.04 0.10 0.04 -0.75 4.34 3.76 2bqzA1 ARG 238 HB2 0.03 -0.11 -0.02 -0.04 1.90 1.77 2bqzA1 ARG 238 HB3 0.03 0.00 -0.04 -0.04 1.80 1.75 2bqzA1 ARG 238 HG2 0.02 -0.01 -0.63 -0.04 1.67 1.01 2bqzA1 ARG 238 HG3 0.02 0.01 -0.13 -0.04 1.67 1.53 2bqzA1 ARG 238 HD2 0.02 -0.07 -0.19 -0.04 3.22 2.94 2bqzA1 ARG 238 HD3 0.02 0.07 -0.18 -0.04 3.22 3.09 2bqzA1 GLY 239 H 0.03 0.74 0.22 -0.55 8.43 8.87 2bqzA1 GLY 239 HA2 0.03 0.01 0.31 -0.51 4.01 3.85 2bqzA1 GLY 239 HA3 0.04 0.06 0.52 -0.51 4.01 4.12 2bqzA1 ASP 240 H 0.08 0.57 -0.19 -0.55 8.40 8.31 2bqzA1 ASP 240 HA 0.11 0.02 0.44 -0.75 4.63 4.44 2bqzA1 ASP 240 HB2 0.21 0.05 0.13 -0.04 2.71 3.06 2bqzA1 ASP 240 HB3 0.26 0.18 -0.03 -0.04 2.70 3.07 2bqzA1 PHE 241 H 0.23 0.09 0.18 -0.55 8.34 8.29 2bqzA1 PHE 241 HA -0.02 0.06 0.57 -0.75 4.62 4.48 2bqzA1 PHE 241 HB2 -0.03 -0.01 0.09 -0.04 3.15 3.15 2bqzA1 PHE 241 HB3 0.01 -0.01 0.10 -0.04 3.06 3.12 2bqzA1 PHE 241 HD2 -0.03 0.01 -0.24 -0.04 7.28 6.98 2bqzA1 PHE 241 HE2 -0.06 0.07 -0.20 -0.04 7.38 7.15 2bqzA1 PHE 241 HZ -0.05 -0.06 -0.23 -0.04 7.32 6.94 2bqzA1 VAL 242 H -0.59 0.59 0.37 -0.55 8.24 8.06 2bqzA1 VAL 242 HA -0.12 0.20 0.90 -0.75 4.13 4.36 2bqzA1 VAL 242 HB -0.36 0.01 -0.01 -0.04 2.12 1.72 2bqzA1 VAL 242 HG13 -0.44 -0.01 -0.21 -0.04 0.97 0.28 2bqzA1 VAL 242 HG23 -0.47 0.00 -0.20 -0.04 0.95 0.24 2bqzA1 VAL 243 H -0.71 0.33 0.28 -0.55 8.24 7.59 2bqzA1 VAL 243 HA -0.23 0.16 0.56 -0.75 4.13 3.86 2bqzA1 VAL 243 HB -0.12 0.15 -0.45 -0.04 2.12 1.66 2bqzA1 VAL 243 HG13 -0.11 -0.01 -0.27 -0.04 0.97 0.53 2bqzA1 VAL 243 HG23 -0.01 0.02 0.07 -0.04 0.95 0.99 2bqzA1 GLU 244 H 0.07 0.18 0.13 -0.55 8.60 8.44 2bqzA1 GLU 244 HA -0.01 0.13 0.97 -0.75 4.29 4.62 2bqzA1 GLU 244 HB2 0.19 0.01 0.06 -0.04 2.09 2.32 2bqzA1 GLU 244 HB3 0.15 -0.04 0.06 -0.04 1.99 2.12 2bqzA1 GLU 244 HG2 0.13 -0.00 -0.50 -0.04 2.34 1.92 2bqzA1 GLU 244 HG3 0.11 0.12 -0.01 -0.04 2.34 2.52 2bqzA1 TYR 245 H 0.07 0.66 0.14 -0.55 8.29 8.61 2bqzA1 TYR 245 HA 0.03 0.02 0.62 -0.75 4.56 4.48 2bqzA1 TYR 245 HB2 -0.08 -0.00 -0.07 -0.04 3.06 2.87 2bqzA1 TYR 245 HB3 -0.12 -0.05 0.11 -0.04 2.98 2.88 2bqzA1 TYR 245 HD2 0.09 -0.03 -0.20 -0.04 7.15 6.97 2bqzA1 TYR 245 HE2 0.17 0.11 -0.12 -0.04 6.85 6.97 2bqzA1 HIS 246 H -0.04 0.16 -0.08 -0.55 8.41 7.89 2bqzA1 HIS 246 HA 0.00 0.12 0.59 -0.75 4.63 4.59 2bqzA1 HIS 246 HB2 -0.02 -0.00 -0.03 -0.04 3.26 3.17 2bqzA1 HIS 246 HB3 -0.08 -0.06 0.04 -0.04 3.20 3.06 2bqzA1 HIS 246 HD2 -0.04 -0.04 -0.24 -0.04 6.97 6.61 2bqzA1 HIS 246 HE1 0.03 0.04 -0.00 -0.04 7.75 7.78 2bqzA1 GLY 247 H -0.38 0.31 0.16 -0.55 8.43 7.97 2bqzA1 GLY 247 HA2 -0.04 0.07 0.29 -0.51 4.01 3.83 2bqzA1 GLY 247 HA3 -0.05 0.05 0.05 -0.51 4.01 3.55 2bqzA1 ASP 248 H -0.00 0.64 0.21 -0.55 8.40 8.70 2bqzA1 ASP 248 HA -0.04 0.13 0.77 -0.75 4.63 4.74 2bqzA1 ASP 248 HB2 0.03 -0.08 0.18 -0.04 2.71 2.80 2bqzA1 ASP 248 HB3 0.01 0.04 0.05 -0.04 2.70 2.77 2bqzA1 LEU 249 H -0.04 0.20 0.23 -0.55 8.37 8.21 2bqzA1 LEU 249 HA 0.04 0.21 0.83 -0.75 4.35 4.68 2bqzA1 LEU 249 HB2 -0.08 0.05 0.13 -0.04 1.64 1.70 2bqzA1 LEU 249 HB3 -0.06 -0.03 0.22 -0.04 1.64 1.73 2bqzA1 LEU 249 HG -0.06 -0.04 -0.20 -0.04 1.64 1.30 2bqzA1 LEU 249 HD13 0.09 0.02 -0.06 -0.04 0.93 0.94 2bqzA1 LEU 249 HD23 -0.21 0.03 0.02 -0.04 0.89 0.69 2bqzA1 ILE 250 H 0.06 0.70 0.45 -0.55 8.25 8.91 2bqzA1 ILE 250 HA 0.06 0.17 0.88 -0.75 4.18 4.54 2bqzA1 ILE 250 HB 0.04 -0.11 0.09 -0.04 1.89 1.87 2bqzA1 ILE 250 HG12 0.03 0.20 0.03 -0.04 1.49 1.70 2bqzA1 ILE 250 HG13 0.01 -0.05 -0.22 -0.04 1.21 0.91 2bqzA1 ILE 250 HG23 0.03 0.01 -0.30 -0.04 0.93 0.63 2bqzA1 ILE 250 HD13 0.03 -0.02 -0.18 -0.04 0.88 0.68 2bqzA1 GLU 251 H 0.06 0.11 0.19 -0.55 8.60 8.42 2bqzA1 GLU 251 HA 0.00 0.28 0.83 -0.75 4.29 4.65 2bqzA1 GLU 251 HB2 0.01 -0.13 0.12 -0.04 2.09 2.05 2bqzA1 GLU 251 HB3 -0.07 0.00 0.20 -0.04 1.99 2.08 2bqzA1 GLU 251 HG2 0.21 0.09 0.01 -0.04 2.34 2.62 2bqzA1 GLU 251 HG3 0.09 0.01 0.09 -0.04 2.34 2.49 2bqzA1 ILE 252 H -0.13 0.43 0.26 -0.55 8.25 8.26 2bqzA1 ILE 252 HA 0.12 0.06 0.13 -0.75 4.18 3.74 2bqzA1 ILE 252 HB -0.02 0.08 0.02 -0.04 1.89 1.93 2bqzA1 ILE 252 HG12 0.02 -0.02 -0.21 -0.04 1.49 1.24 2bqzA1 ILE 252 HG13 0.11 0.01 -0.03 -0.04 1.21 1.26 2bqzA1 ILE 252 HG23 -0.08 0.01 0.12 -0.04 0.93 0.94 2bqzA1 ILE 252 HD13 -0.05 0.01 -0.03 -0.04 0.88 0.77 2bqzA1 THR 253 H -0.02 0.11 -0.10 -0.55 8.28 7.72 2bqzA1 THR 253 HA 0.01 0.12 0.41 -0.75 4.39 4.17 2bqzA1 THR 253 HB -0.00 0.07 0.06 -0.04 4.32 4.40 2bqzA1 THR 253 HG23 -0.02 0.01 0.05 -0.04 1.22 1.22 2bqzA1 ASP 254 H 0.01 0.07 -0.17 -0.55 8.40 7.76 2bqzA1 ASP 254 HA 0.00 0.08 0.45 -0.75 4.63 4.41 2bqzA1 ASP 254 HB2 0.01 -0.01 0.12 -0.04 2.71 2.79 2bqzA1 ASP 254 HB3 0.02 0.06 0.12 -0.04 2.70 2.86 2bqzA1 ALA 255 H 0.04 0.51 -0.22 -0.55 8.40 8.19 2bqzA1 ALA 255 HA 0.03 0.01 0.34 -0.75 4.34 3.97 2bqzA1 ALA 255 HB3 0.04 0.02 -0.10 -0.04 1.41 1.33 2bqzA1 LYS 256 H 0.09 0.56 -0.17 -0.55 8.42 8.34 2bqzA1 LYS 256 HA 0.11 0.01 0.38 -0.75 4.32 4.07 2bqzA1 LYS 256 HB2 0.03 0.13 0.14 -0.04 1.87 2.13 2bqzA1 LYS 256 HB3 0.02 -0.03 0.02 -0.04 1.79 1.76 2bqzA1 LYS 256 HG2 0.09 -0.03 0.05 -0.04 1.46 1.53 2bqzA1 LYS 256 HG3 0.03 -0.02 0.00 -0.04 1.46 1.43 2bqzA1 LYS 256 HD2 -0.01 0.00 -0.01 -0.04 1.69 1.63 2bqzA1 LYS 256 HD3 -0.01 -0.01 -0.01 -0.04 1.68 1.60 2bqzA1 LYS 256 HE2 -0.06 -0.02 -0.05 -0.04 2.99 2.82 2bqzA1 LYS 256 HE3 -0.04 -0.02 -0.05 -0.04 2.99 2.85 2bqzA1 LYS 257 H 0.01 0.36 -0.25 -0.55 8.42 7.98 2bqzA1 LYS 257 HA -0.02 0.03 0.38 -0.75 4.32 3.96 2bqzA1 LYS 257 HB2 -0.02 0.12 0.20 -0.04 1.87 2.12 2bqzA1 LYS 257 HB3 -0.03 -0.02 0.02 -0.04 1.79 1.72 2bqzA1 LYS 257 HG2 -0.01 -0.02 0.03 -0.04 1.46 1.42 2bqzA1 LYS 257 HG3 -0.00 0.14 0.09 -0.04 1.46 1.65 2bqzA1 LYS 257 HD2 -0.01 -0.04 -0.01 -0.04 1.69 1.59 2bqzA1 LYS 257 HD3 -0.01 -0.00 0.00 -0.04 1.68 1.63 2bqzA1 LYS 257 HE2 -0.01 0.01 -0.02 -0.04 2.99 2.93 2bqzA1 LYS 257 HE3 -0.00 0.01 -0.04 -0.04 2.99 2.91 2bqzA1 ARG 258 H -0.04 0.52 -0.09 -0.55 8.46 8.30 2bqzA1 ARG 258 HA -0.30 0.01 0.38 -0.75 4.34 3.68 2bqzA1 ARG 258 HB2 -0.04 0.09 0.15 -0.04 1.90 2.05 2bqzA1 ARG 258 HB3 -0.40 -0.04 -0.02 -0.04 1.80 1.30 2bqzA1 ARG 258 HG2 -0.14 -0.03 0.02 -0.04 1.67 1.49 2bqzA1 ARG 258 HG3 -0.05 0.19 0.05 -0.04 1.67 1.82 2bqzA1 ARG 258 HD2 0.06 -0.03 -0.06 -0.04 3.22 3.15 2bqzA1 ARG 258 HD3 0.07 -0.02 -0.03 -0.04 3.22 3.20 2bqzA1 GLU 259 H 0.02 0.66 -0.13 -0.55 8.60 8.61 2bqzA1 GLU 259 HA 0.21 -0.02 0.33 -0.75 4.29 4.06 2bqzA1 GLU 259 HB2 0.18 0.08 0.09 -0.04 2.09 2.39 2bqzA1 GLU 259 HB3 0.10 0.09 0.06 -0.04 1.99 2.20 2bqzA1 GLU 259 HG2 0.12 0.02 -0.06 -0.04 2.34 2.38 2bqzA1 GLU 259 HG3 0.19 -0.04 0.04 -0.04 2.34 2.49 2bqzA1 ALA 260 H -0.01 0.44 -0.34 -0.55 8.40 7.95 2bqzA1 ALA 260 HA 0.03 0.02 0.44 -0.75 4.34 4.08 2bqzA1 ALA 260 HB3 -0.00 0.02 0.10 -0.04 1.41 1.49 2bqzA1 LEU 261 H -0.10 0.44 -0.05 -0.55 8.37 8.11 2bqzA1 LEU 261 HA -0.03 0.02 0.46 -0.75 4.35 4.05 2bqzA1 LEU 261 HB2 -0.28 0.09 0.22 -0.04 1.64 1.63 2bqzA1 LEU 261 HB3 -0.12 -0.04 0.00 -0.04 1.64 1.44 2bqzA1 LEU 261 HG -0.07 0.09 0.06 -0.04 1.64 1.68 2bqzA1 LEU 261 HD13 -0.09 -0.03 -0.04 -0.04 0.93 0.73 2bqzA1 LEU 261 HD23 -0.03 -0.01 0.01 -0.04 0.89 0.82 2bqzA1 TYR 262 H -0.17 0.66 -0.02 -0.55 8.29 8.21 2bqzA1 TYR 262 HA 0.05 -0.01 0.42 -0.75 4.56 4.26 2bqzA1 TYR 262 HB2 0.06 0.07 0.05 -0.04 3.06 3.20 2bqzA1 TYR 262 HB3 0.07 0.09 -0.01 -0.04 2.98 3.09 2bqzA1 TYR 262 HD2 0.06 -0.00 -0.08 -0.04 7.15 7.08 2bqzA1 TYR 262 HE2 0.04 -0.05 -0.08 -0.04 6.85 6.71 2bqzA1 ALA 263 H 0.12 0.34 -0.41 -0.55 8.40 7.90 2bqzA1 ALA 263 HA 0.11 0.08 0.38 -0.75 4.34 4.15 2bqzA1 ALA 263 HB3 0.07 0.02 0.10 -0.04 1.41 1.56 2bqzA1 GLN 264 H 0.07 0.37 -0.44 -0.55 8.47 7.91 2bqzA1 GLN 264 HA 0.04 0.03 0.52 -0.75 4.36 4.20 2bqzA1 GLN 264 HB2 0.04 0.22 0.14 -0.04 2.15 2.51 2bqzA1 GLN 264 HB3 0.03 -0.10 0.12 -0.04 2.02 2.03 2bqzA1 GLN 264 HG2 0.02 -0.05 0.03 -0.04 2.40 2.36 2bqzA1 GLN 264 HG3 0.02 0.19 0.08 -0.04 2.39 2.64 2bqzA1 GLN 264 HE21 0.01 -0.05 0.01 -0.04 6.97 6.89 2bqzA1 GLN 264 HE22 0.01 -0.01 0.02 -0.04 7.69 7.67 2bqzA1 ASP 265 H 0.09 0.52 -0.46 -0.55 8.40 8.01 2bqzA1 ASP 265 HA 0.05 0.18 0.99 -0.75 4.63 5.10 2bqzA1 ASP 265 HB2 0.07 -0.00 -0.01 -0.04 2.71 2.73 2bqzA1 ASP 265 HB3 0.11 0.11 0.21 -0.04 2.70 3.09 2bqzA1 PRO 266 HA 0.06 0.16 0.37 -0.51 4.44 4.52 2bqzA1 PRO 266 HB2 0.04 0.00 0.01 -0.04 2.28 2.29 2bqzA1 PRO 266 HB3 0.04 0.03 0.10 -0.04 2.02 2.16 2bqzA1 PRO 266 HG2 0.04 -0.03 0.06 -0.04 2.03 2.06 2bqzA1 PRO 266 HG3 0.03 0.02 0.07 -0.04 2.03 2.12 2bqzA1 PRO 266 HD2 0.04 0.07 0.27 -0.04 3.68 4.02 2bqzA1 PRO 266 HD3 0.04 0.22 0.06 -0.04 3.65 3.93 2bqzA1 SER 267 H 0.05 0.01 -0.41 -0.55 8.46 7.57 2bqzA1 SER 267 HA 0.04 0.10 0.49 -0.75 4.49 4.36 2bqzA1 SER 267 HB2 0.04 -0.00 -0.03 -0.04 3.95 3.92 2bqzA1 SER 267 HB3 0.03 -0.02 0.07 -0.04 3.93 3.98 2bqzA1 THR 268 H 0.07 0.45 -0.20 -0.55 8.28 8.05 2bqzA1 THR 268 HA 0.05 0.02 0.74 -0.75 4.39 4.44 2bqzA1 THR 268 HB 0.09 0.25 0.19 -0.04 4.32 4.81 2bqzA1 THR 268 HG23 -0.12 0.01 -0.01 -0.04 1.22 1.05 2bqzA1 GLY 269 H 0.17 0.06 0.13 -0.55 8.43 8.25 2bqzA1 GLY 269 HA2 0.03 0.16 0.45 -0.51 4.01 4.14 2bqzA1 GLY 269 HA3 0.06 0.01 0.31 -0.51 4.01 3.88 2bqzA1 CYS 270 H -0.29 0.21 0.10 -0.55 8.50 7.97 2bqzA1 CYS 270 HA -0.02 0.08 0.81 -0.75 4.58 4.70 2bqzA1 CYS 270 HB2 -0.12 0.03 0.19 -0.04 2.97 3.04 2bqzA1 CYS 270 HB3 -0.05 -0.04 0.03 -0.04 2.97 2.86 2bqzA1 TYR 271 H 0.09 0.11 0.06 -0.55 8.29 8.01 2bqzA1 TYR 271 HA 0.05 0.33 0.81 -0.75 4.56 4.99 2bqzA1 TYR 271 HB2 -0.04 -0.14 -0.32 -0.04 3.06 2.52 2bqzA1 TYR 271 HB3 0.05 -0.05 -0.11 -0.04 2.98 2.84 2bqzA1 TYR 271 HD2 -0.04 0.00 -0.19 -0.04 7.15 6.88 2bqzA1 TYR 271 HE2 -0.02 0.03 -0.04 -0.04 6.85 6.78 2bqzA1 MET 272 H 0.08 0.09 -0.01 -0.55 8.47 8.08 2bqzA1 MET 272 HA 0.11 0.17 0.76 -0.75 4.52 4.80 2bqzA1 MET 272 HB2 0.11 0.02 0.02 -0.04 2.15 2.26 2bqzA1 MET 272 HB3 -0.15 -0.02 -0.09 -0.04 2.03 1.72 2bqzA1 MET 272 HG2 0.15 -0.14 0.03 -0.04 2.63 2.63 2bqzA1 MET 272 HG3 0.19 0.05 -0.02 -0.04 2.56 2.75 2bqzA1 MET 272 HE3 0.08 -0.00 -0.06 -0.04 2.10 2.08 2bqzA1 TYR 273 H 0.10 0.39 0.16 -0.55 8.29 8.40 2bqzA1 TYR 273 HA -0.03 0.17 0.86 -0.75 4.56 4.81 2bqzA1 TYR 273 HB2 -0.43 0.09 -0.12 -0.04 3.06 2.55 2bqzA1 TYR 273 HB3 -0.12 -0.12 0.15 -0.04 2.98 2.85 2bqzA1 TYR 273 HD2 -0.89 0.06 -0.12 -0.04 7.15 6.16 2bqzA1 TYR 273 HE2 -0.18 0.00 -0.07 -0.04 6.85 6.56 2bqzA1 TYR 274 H 0.44 0.19 0.11 -0.55 8.29 8.48 2bqzA1 TYR 274 HA 0.16 0.25 0.84 -0.75 4.56 5.05 2bqzA1 TYR 274 HB2 0.11 0.00 0.06 -0.04 3.06 3.19 2bqzA1 TYR 274 HB3 0.06 -0.00 -0.00 -0.04 2.98 2.99 2bqzA1 TYR 274 HD2 0.03 0.05 -0.11 -0.04 7.15 7.08 2bqzA1 TYR 274 HE2 0.03 -0.00 -0.13 -0.04 6.85 6.70 2bqzA1 PHE 275 H -0.00 0.61 0.37 -0.55 8.34 8.77 2bqzA1 PHE 275 HA 0.13 0.09 0.59 -0.75 4.62 4.67 2bqzA1 PHE 275 HB2 0.04 -0.01 0.02 -0.04 3.15 3.16 2bqzA1 PHE 275 HB3 -0.01 0.14 -0.34 -0.04 3.06 2.81 2bqzA1 PHE 275 HD2 0.04 0.16 -0.37 -0.04 7.28 7.07 2bqzA1 PHE 275 HE2 -0.07 -0.02 -0.30 -0.04 7.38 6.95 2bqzA1 PHE 275 HZ -0.18 0.05 -0.21 -0.04 7.32 6.93 2bqzA1 GLN 276 H 0.27 0.19 0.16 -0.55 8.47 8.54 2bqzA1 GLN 276 HA 0.03 0.28 0.92 -0.75 4.36 4.84 2bqzA1 GLN 276 HB2 0.13 -0.00 0.11 -0.04 2.15 2.34 2bqzA1 GLN 276 HB3 0.08 -0.04 -0.04 -0.04 2.02 1.98 2bqzA1 GLN 276 HG2 0.02 0.02 -0.15 -0.04 2.40 2.26 2bqzA1 GLN 276 HG3 0.07 -0.04 -0.11 -0.04 2.39 2.27 2bqzA1 GLN 276 HE21 0.04 0.02 -0.03 -0.04 6.97 6.95 2bqzA1 GLN 276 HE22 0.06 0.01 -0.04 -0.04 7.69 7.67 2bqzA1 TYR 277 H 0.20 0.81 0.26 -0.55 8.29 9.01 2bqzA1 TYR 277 HA 0.17 0.07 0.63 -0.75 4.56 4.67 2bqzA1 TYR 277 HB2 0.44 0.06 -0.23 -0.04 3.06 3.29 2bqzA1 TYR 277 HB3 0.33 0.01 -0.04 -0.04 2.98 3.24 2bqzA1 TYR 277 HD2 -0.01 0.01 -0.04 -0.04 7.15 7.07 2bqzA1 TYR 277 HE2 -0.02 0.09 -0.09 -0.04 6.85 6.79 2bqzA1 LEU 278 H -0.19 0.16 0.08 -0.55 8.37 7.88 2bqzA1 LEU 278 HA -0.18 0.03 0.35 -0.75 4.35 3.80 2bqzA1 LEU 278 HB2 -0.27 0.14 -0.06 -0.04 1.64 1.42 2bqzA1 LEU 278 HB3 -0.20 0.03 0.16 -0.04 1.64 1.59 2bqzA1 LEU 278 HG -2.12 -0.06 -0.18 -0.04 1.64 -0.76 2bqzA1 LEU 278 HD13 -0.25 0.02 -0.03 -0.04 0.93 0.62 2bqzA1 LEU 278 HD23 -0.31 -0.00 0.03 -0.04 0.89 0.57 2bqzA1 SER 279 H -0.02 0.04 -0.18 -0.55 8.46 7.75 2bqzA1 SER 279 HA -0.02 -0.02 0.26 -0.75 4.49 3.96 2bqzA1 SER 279 HB2 -0.04 0.28 -0.11 -0.04 3.95 4.05 2bqzA1 SER 279 HB3 -0.03 -0.02 0.18 -0.04 3.93 4.02 2bqzA1 LYS 280 H -0.01 0.40 -0.43 -0.55 8.42 7.83 2bqzA1 LYS 280 HA -0.13 0.15 0.84 -0.75 4.32 4.43 2bqzA1 LYS 280 HB2 -0.18 0.12 -0.01 -0.04 1.87 1.75 2bqzA1 LYS 280 HB3 -0.46 -0.07 0.10 -0.04 1.79 1.32 2bqzA1 LYS 280 HG2 -0.05 0.09 -0.36 -0.04 1.46 1.09 2bqzA1 LYS 280 HG3 -0.06 -0.02 -0.02 -0.04 1.46 1.33 2bqzA1 LYS 280 HD2 -0.14 -0.11 0.12 -0.04 1.69 1.52 2bqzA1 LYS 280 HD3 -0.08 0.16 0.16 -0.04 1.68 1.88 2bqzA1 LYS 280 HE2 -0.05 -0.03 0.05 -0.04 2.99 2.92 2bqzA1 LYS 280 HE3 -0.04 0.04 0.02 -0.04 2.99 2.96 2bqzA1 THR 281 H -0.28 0.14 0.21 -0.55 8.28 7.80 2bqzA1 THR 281 HA -0.18 0.28 1.01 -0.75 4.39 4.75 2bqzA1 THR 281 HB -0.12 -0.12 0.19 -0.04 4.32 4.22 2bqzA1 THR 281 HG23 0.03 0.02 -0.07 -0.04 1.22 1.16 2bqzA1 TYR 282 H -0.40 0.76 0.41 -0.55 8.29 8.51 2bqzA1 TYR 282 HA -0.17 0.09 0.96 -0.75 4.56 4.69 2bqzA1 TYR 282 HB2 -1.29 0.01 -0.05 -0.04 3.06 1.69 2bqzA1 TYR 282 HB3 -0.30 0.05 0.11 -0.04 2.98 2.79 2bqzA1 TYR 282 HD2 -0.12 0.03 -0.17 -0.04 7.15 6.84 2bqzA1 TYR 282 HE2 0.06 0.10 -0.07 -0.04 6.85 6.90 2bqzA1 CYS 283 H 0.04 0.62 0.31 -0.55 8.50 8.92 2bqzA1 CYS 283 HA -0.01 0.35 0.81 -0.75 4.58 4.97 2bqzA1 CYS 283 HB2 -0.45 -0.02 -0.37 -0.04 2.97 2.09 2bqzA1 CYS 283 HB3 -0.14 -0.06 -0.13 -0.04 2.97 2.61 2bqzA1 VAL 284 H 0.20 0.68 0.24 -0.55 8.24 8.81 2bqzA1 VAL 284 HA 0.11 0.21 0.79 -0.75 4.13 4.48 2bqzA1 VAL 284 HB 0.30 0.00 0.10 -0.04 2.12 2.48 2bqzA1 VAL 284 HG13 0.14 0.05 -0.46 -0.04 0.97 0.67 2bqzA1 VAL 284 HG23 0.11 0.01 -0.08 -0.04 0.95 0.95 2bqzA1 ASP 285 H 0.07 0.83 0.15 -0.55 8.40 8.90 2bqzA1 ASP 285 HA 0.13 0.12 0.71 -0.75 4.63 4.84 2bqzA1 ASP 285 HB2 0.08 -0.01 -0.03 -0.04 2.71 2.72 2bqzA1 ASP 285 HB3 0.08 0.05 0.23 -0.04 2.70 3.02 2bqzA1 ALA 286 H 0.19 0.66 0.09 -0.55 8.40 8.79 2bqzA1 ALA 286 HA -0.06 0.08 0.82 -0.75 4.34 4.43 2bqzA1 ALA 286 HB3 -0.15 0.04 0.02 -0.04 1.41 1.29 2bqzA1 THR 287 H -0.04 0.02 -0.42 -0.55 8.28 7.29 2bqzA1 THR 287 HA -0.33 0.10 0.23 -0.75 4.39 3.64 2bqzA1 THR 287 HB -0.26 -0.04 -0.01 -0.04 4.32 3.97 2bqzA1 THR 287 HG23 -0.62 0.02 -0.09 -0.04 1.22 0.49 2bqzA1 ARG 288 H -0.10 -0.02 -0.18 -0.55 8.46 7.61 2bqzA1 ARG 288 HA -0.11 0.03 0.39 -0.75 4.34 3.90 2bqzA1 ARG 288 HB2 -0.02 -0.05 0.04 -0.04 1.90 1.82 2bqzA1 ARG 288 HB3 -0.05 -0.02 -0.05 -0.04 1.80 1.64 2bqzA1 ARG 288 HG2 -0.05 0.08 -0.04 -0.04 1.67 1.62 2bqzA1 ARG 288 HG3 -0.02 -0.04 -0.00 -0.04 1.67 1.58 2bqzA1 ARG 288 HD2 -0.03 0.01 -0.25 -0.04 3.22 2.91 2bqzA1 ARG 288 HD3 -0.01 0.02 -0.06 -0.04 3.22 3.13 2bqzA1 GLU 289 H -0.10 0.07 0.16 -0.55 8.60 8.18 2bqzA1 GLU 289 HA -0.16 0.13 0.55 -0.75 4.29 4.06 2bqzA1 GLU 289 HB2 -0.06 -0.07 0.20 -0.04 2.09 2.11 2bqzA1 GLU 289 HB3 -0.06 0.03 0.04 -0.04 1.99 1.96 2bqzA1 GLU 289 HG2 -0.11 0.03 0.09 -0.04 2.34 2.31 2bqzA1 GLU 289 HG3 -0.05 -0.03 0.06 -0.04 2.34 2.28 2bqzA1 THR 290 H -0.10 0.27 0.23 -0.55 8.28 8.13 2bqzA1 THR 290 HA -0.04 0.17 0.72 -0.75 4.39 4.48 2bqzA1 THR 290 HB -0.04 -0.11 0.16 -0.04 4.32 4.29 2bqzA1 THR 290 HG23 -0.03 0.08 -0.24 -0.04 1.22 0.98 2bqzA1 ASN 291 H -0.05 0.14 0.13 -0.55 8.53 8.21 2bqzA1 ASN 291 HA -0.03 0.18 0.58 -0.75 4.76 4.73 2bqzA1 ASN 291 HB2 -0.04 -0.00 0.08 -0.04 2.88 2.87 2bqzA1 ASN 291 HB3 -0.03 0.02 0.15 -0.04 2.79 2.89 2bqzA1 ASN 291 HD21 -0.02 0.01 0.01 -0.04 7.03 6.98 2bqzA1 ASN 291 HD22 -0.03 0.01 0.03 -0.04 7.74 7.71 2bqzA1 ARG 292 H -0.06 -0.01 -0.33 -0.55 8.46 7.51 2bqzA1 ARG 292 HA -0.06 0.10 0.40 -0.75 4.34 4.02 2bqzA1 ARG 292 HB2 -0.07 0.06 0.06 -0.04 1.90 1.91 2bqzA1 ARG 292 HB3 -0.07 -0.07 0.05 -0.04 1.80 1.67 2bqzA1 ARG 292 HG2 -0.12 -0.12 0.02 -0.04 1.67 1.41 2bqzA1 ARG 292 HG3 -0.21 0.03 -0.01 -0.04 1.67 1.45 2bqzA1 ARG 292 HD2 -0.17 -0.02 0.05 -0.04 3.22 3.04 2bqzA1 ARG 292 HD3 -0.14 0.04 -0.04 -0.04 3.22 3.04 2bqzA1 LEU 293 H -0.03 0.14 0.19 -0.55 8.37 8.13 2bqzA1 LEU 293 HA -0.01 0.22 0.46 -0.75 4.35 4.27 2bqzA1 LEU 293 HB2 -0.00 0.00 0.03 -0.04 1.64 1.63 2bqzA1 LEU 293 HB3 0.01 -0.01 -0.08 -0.04 1.64 1.52 2bqzA1 LEU 293 HG -0.01 0.06 0.05 -0.04 1.64 1.69 2bqzA1 LEU 293 HD13 0.02 0.01 -0.08 -0.04 0.93 0.83 2bqzA1 LEU 293 HD23 0.00 0.01 -0.14 -0.04 0.89 0.72 2bqzA1 GLY 294 H -0.03 0.11 0.00 -0.55 8.43 7.97 2bqzA1 GLY 294 HA2 0.04 0.04 0.24 -0.51 4.01 3.82 2bqzA1 GLY 294 HA3 -0.01 0.20 0.32 -0.51 4.01 4.01 2bqzA1 ARG 295 H -0.10 0.10 -0.37 -0.55 8.46 7.54 2bqzA1 ARG 295 HA 0.02 0.07 0.29 -0.75 4.34 3.97 2bqzA1 ARG 295 HB2 0.02 0.06 0.07 -0.04 1.90 2.01 2bqzA1 ARG 295 HB3 -0.30 -0.03 0.06 -0.04 1.80 1.49 2bqzA1 ARG 295 HG2 -0.09 -0.02 -0.10 -0.04 1.67 1.42 2bqzA1 ARG 295 HG3 -0.04 0.03 -0.24 -0.04 1.67 1.38 2bqzA1 ARG 295 HD2 -0.17 -0.06 0.04 -0.04 3.22 2.99 2bqzA1 ARG 295 HD3 -0.14 -0.07 0.02 -0.04 3.22 2.99 2bqzA1 LEU 296 H 0.07 0.40 -0.59 -0.55 8.37 7.70 2bqzA1 LEU 296 HA 0.15 0.20 0.71 -0.75 4.35 4.65 2bqzA1 LEU 296 HB2 0.05 0.05 -0.09 -0.04 1.64 1.61 2bqzA1 LEU 296 HB3 0.05 -0.06 -0.05 -0.04 1.64 1.53 2bqzA1 LEU 296 HG 0.02 0.02 -0.12 -0.04 1.64 1.52 2bqzA1 LEU 296 HD13 0.01 -0.02 -0.07 -0.04 0.93 0.81 2bqzA1 LEU 296 HD23 0.07 0.02 -0.13 -0.04 0.89 0.81 2bqzA1 ILE 297 H 0.20 0.35 -0.25 -0.55 8.25 8.00 2bqzA1 ILE 297 HA 0.10 -0.06 0.60 -0.75 4.18 4.06 2bqzA1 ILE 297 HB 0.42 0.10 0.06 -0.04 1.89 2.42 2bqzA1 ILE 297 HG12 0.07 -0.05 -0.08 -0.04 1.49 1.39 2bqzA1 ILE 297 HG13 0.10 0.11 -0.09 -0.04 1.21 1.29 2bqzA1 ILE 297 HG23 0.26 0.06 -0.27 -0.04 0.93 0.94 2bqzA1 ILE 297 HD13 0.05 -0.03 -0.16 -0.04 0.88 0.69 2bqzA1 ASN 298 H 0.02 0.10 0.27 -0.55 8.53 8.37 2bqzA1 ASN 298 HA -0.02 0.17 0.62 -0.75 4.76 4.78 2bqzA1 ASN 298 HB2 -0.11 -0.02 0.14 -0.04 2.88 2.84 2bqzA1 ASN 298 HB3 -0.24 -0.05 0.17 -0.04 2.79 2.63 2bqzA1 ASN 298 HD21 -0.08 0.36 -0.08 -0.04 7.03 7.19 2bqzA1 ASN 298 HD22 -0.08 -0.16 0.03 -0.04 7.74 7.49 2bqzA1 HIS 299 H -0.46 0.15 0.20 -0.55 8.41 7.76 2bqzA1 HIS 299 HA -0.69 0.37 0.87 -0.75 4.63 4.42 2bqzA1 HIS 299 HB2 -2.24 0.01 0.12 -0.04 3.26 1.11 2bqzA1 HIS 299 HB3 -0.55 0.02 0.14 -0.04 3.20 2.76 2bqzA1 HIS 299 HD2 0.20 0.11 -0.21 -0.04 6.97 7.03 2bqzA1 HIS 299 HE1 -0.02 -0.04 -0.02 -0.04 7.75 7.63 2bqzA1 SER 300 H -0.68 0.59 0.14 -0.55 8.46 7.97 2bqzA1 SER 300 HA -0.44 0.11 0.32 -0.75 4.49 3.72 2bqzA1 SER 300 HB2 -0.17 0.19 -0.07 -0.04 3.95 3.86 2bqzA1 SER 300 HB3 -0.18 -0.10 -0.25 -0.04 3.93 3.37 2bqzA1 LYS 301 H -0.15 0.48 0.07 -0.55 8.42 8.27 2bqzA1 LYS 301 HA -0.09 0.09 0.77 -0.75 4.32 4.34 2bqzA1 LYS 301 HB2 -0.01 0.15 0.04 -0.04 1.87 2.01 2bqzA1 LYS 301 HB3 -0.00 0.02 0.11 -0.04 1.79 1.87 2bqzA1 LYS 301 HG2 0.05 -0.04 -0.01 -0.04 1.46 1.41 2bqzA1 LYS 301 HG3 0.08 -0.09 -0.15 -0.04 1.46 1.25 2bqzA1 LYS 301 HD2 -0.00 0.17 -0.18 -0.04 1.69 1.63 2bqzA1 LYS 301 HD3 0.01 -0.03 -0.01 -0.04 1.68 1.60 2bqzA1 LYS 301 HE2 0.04 -0.10 -0.04 -0.04 2.99 2.85 2bqzA1 LYS 301 HE3 0.06 0.25 -0.02 -0.04 2.99 3.24 2bqzA1 CYS 302 H -0.07 0.10 -0.23 -0.55 8.50 7.75 2bqzA1 CYS 302 HA -0.01 0.22 0.71 -0.75 4.58 4.75 2bqzA1 CYS 302 HB2 -0.01 0.02 0.17 -0.04 2.97 3.12 2bqzA1 CYS 302 HB3 -0.00 0.03 0.02 -0.04 2.97 2.98 2bqzA1 GLY 303 H -0.04 0.11 -0.47 -0.55 8.43 7.48 2bqzA1 GLY 303 HA2 -0.04 0.07 0.25 -0.51 4.01 3.78 2bqzA1 GLY 303 HA3 -0.02 0.07 0.08 -0.51 4.01 3.62 2bqzA1 ASN 304 H 0.01 0.31 0.32 -0.55 8.53 8.62 2bqzA1 ASN 304 HA 0.00 0.22 0.86 -0.75 4.76 5.08 2bqzA1 ASN 304 HB2 -0.01 -0.05 0.10 -0.04 2.88 2.88 2bqzA1 ASN 304 HB3 -0.00 0.09 -0.04 -0.04 2.79 2.80 2bqzA1 ASN 304 HD21 -0.02 0.39 0.02 -0.04 7.03 7.39 2bqzA1 ASN 304 HD22 -0.00 -0.04 -0.03 -0.04 7.74 7.63 2bqzA1 CYS 305 H 0.04 0.40 0.32 -0.55 8.50 8.71 2bqzA1 CYS 305 HA -0.03 0.23 0.98 -0.75 4.58 5.01 2bqzA1 CYS 305 HB2 0.08 0.02 -0.15 -0.04 2.97 2.88 2bqzA1 CYS 305 HB3 -0.07 -0.02 -0.12 -0.04 2.97 2.72 2bqzA1 GLN 306 H -0.04 0.67 0.29 -0.55 8.47 8.85 2bqzA1 GLN 306 HA 0.05 0.08 0.84 -0.75 4.36 4.58 2bqzA1 GLN 306 HB2 0.00 0.01 0.01 -0.04 2.15 2.13 2bqzA1 GLN 306 HB3 0.02 0.06 0.03 -0.04 2.02 2.09 2bqzA1 GLN 306 HG2 0.04 0.04 -0.03 -0.04 2.40 2.41 2bqzA1 GLN 306 HG3 0.02 -0.09 -0.50 -0.04 2.39 1.78 2bqzA1 GLN 306 HE21 0.02 -0.00 -0.02 -0.04 6.97 6.93 2bqzA1 GLN 306 HE22 0.03 0.00 -0.02 -0.04 7.69 7.67 2bqzA1 THR 307 H 0.02 0.14 0.15 -0.55 8.28 8.03 2bqzA1 THR 307 HA -0.16 0.29 0.91 -0.75 4.39 4.68 2bqzA1 THR 307 HB 0.01 -0.02 0.07 -0.04 4.32 4.34 2bqzA1 THR 307 HG23 -0.36 0.00 -0.12 -0.04 1.22 0.70 2bqzA1 LYS 308 H -0.11 0.70 0.42 -0.55 8.42 8.87 2bqzA1 LYS 308 HA -0.03 0.13 0.86 -0.75 4.32 4.52 2bqzA1 LYS 308 HB2 -0.01 -0.03 -0.05 -0.04 1.87 1.73 2bqzA1 LYS 308 HB3 0.02 0.03 0.00 -0.04 1.79 1.80 2bqzA1 LYS 308 HG2 -0.03 0.03 -0.52 -0.04 1.46 0.90 2bqzA1 LYS 308 HG3 0.01 -0.01 -0.14 -0.04 1.46 1.27 2bqzA1 LYS 308 HD2 0.02 -0.03 -0.02 -0.04 1.69 1.62 2bqzA1 LYS 308 HD3 0.01 0.17 -0.03 -0.04 1.68 1.78 2bqzA1 LYS 308 HE2 0.01 -0.02 -0.18 -0.04 2.99 2.75 2bqzA1 LYS 308 HE3 0.01 -0.01 -0.11 -0.04 2.99 2.85 2bqzA1 LEU 309 H -0.02 0.15 0.16 -0.55 8.37 8.12 2bqzA1 LEU 309 HA -0.18 0.25 0.91 -0.75 4.35 4.58 2bqzA1 LEU 309 HB2 -0.09 0.02 0.06 -0.04 1.64 1.60 2bqzA1 LEU 309 HB3 0.01 -0.03 0.18 -0.04 1.64 1.77 2bqzA1 LEU 309 HG -0.03 -0.06 -0.32 -0.04 1.64 1.19 2bqzA1 LEU 309 HD13 -0.30 0.03 -0.09 -0.04 0.93 0.52 2bqzA1 LEU 309 HD23 0.27 0.02 0.02 -0.04 0.89 1.15 2bqzA1 HIS 310 H -0.00 0.79 0.30 -0.55 8.41 8.96 2bqzA1 HIS 310 HA -0.00 0.12 0.85 -0.75 4.63 4.85 2bqzA1 HIS 310 HB2 0.01 0.00 -0.18 -0.04 3.26 3.05 2bqzA1 HIS 310 HB3 0.01 -0.01 0.03 -0.04 3.20 3.19 2bqzA1 HIS 310 HD2 -0.03 -0.04 -0.39 -0.04 6.97 6.47 2bqzA1 HIS 310 HE1 0.00 -0.03 0.02 -0.04 7.75 7.69 2bqzA1 ASP 311 H -0.27 0.15 0.08 -0.55 8.40 7.82 2bqzA1 ASP 311 HA -0.06 0.32 0.86 -0.75 4.63 4.99 2bqzA1 ASP 311 HB2 0.00 -0.07 -0.25 -0.04 2.71 2.35 2bqzA1 ASP 311 HB3 -0.08 -0.01 -0.14 -0.04 2.70 2.43 2bqzA1 ILE 312 H 0.09 0.76 0.19 -0.55 8.25 8.75 2bqzA1 ILE 312 HA 0.02 0.13 0.85 -0.75 4.18 4.43 2bqzA1 ILE 312 HB 0.17 0.06 0.14 -0.04 1.89 2.21 2bqzA1 ILE 312 HG12 0.12 0.02 -0.11 -0.04 1.49 1.48 2bqzA1 ILE 312 HG13 0.18 0.01 -0.34 -0.04 1.21 1.03 2bqzA1 ILE 312 HG23 0.03 0.00 -0.09 -0.04 0.93 0.84 2bqzA1 ILE 312 HD13 -0.19 0.01 -0.04 -0.04 0.88 0.63 2bqzA1 ASP 313 H 0.02 0.18 0.02 -0.55 8.40 8.07 2bqzA1 ASP 313 HA 0.03 0.02 0.30 -0.75 4.63 4.22 2bqzA1 ASP 313 HB2 0.03 0.10 -0.16 -0.04 2.71 2.65 2bqzA1 ASP 313 HB3 0.02 0.03 0.17 -0.04 2.70 2.88 2bqzA1 GLY 314 H 0.06 0.02 -0.34 -0.55 8.43 7.62 2bqzA1 GLY 314 HA2 0.15 -0.04 0.21 -0.51 4.01 3.82 2bqzA1 GLY 314 HA3 0.07 0.15 0.45 -0.51 4.01 4.16 2bqzA1 VAL 315 H 0.01 0.46 -0.38 -0.55 8.24 7.78 2bqzA1 VAL 315 HA -0.14 0.21 0.90 -0.75 4.13 4.34 2bqzA1 VAL 315 HB -0.00 0.03 0.13 -0.04 2.12 2.24 2bqzA1 VAL 315 HG13 -0.29 0.02 -0.08 -0.04 0.97 0.58 2bqzA1 VAL 315 HG23 -0.02 0.02 -0.08 -0.04 0.95 0.83 2bqzA1 PRO 316 HA -0.39 0.04 0.53 -0.51 4.44 4.11 2bqzA1 PRO 316 HB2 -0.36 0.04 -0.16 -0.04 2.28 1.76 2bqzA1 PRO 316 HB3 -1.32 -0.03 -0.06 -0.04 2.02 0.57 2bqzA1 PRO 316 HG2 -0.21 0.03 0.02 -0.04 2.03 1.83 2bqzA1 PRO 316 HG3 -0.38 0.02 -0.04 -0.04 2.03 1.58 2bqzA1 PRO 316 HD2 -0.32 0.11 0.22 -0.04 3.68 3.65 2bqzA1 PRO 316 HD3 -0.50 0.20 0.04 -0.04 3.65 3.35 2bqzA1 HIS 317 H -0.11 0.43 0.23 -0.55 8.41 8.42 2bqzA1 HIS 317 HA -0.16 0.14 0.77 -0.75 4.63 4.62 2bqzA1 HIS 317 HB2 0.00 0.09 0.10 -0.04 3.26 3.42 2bqzA1 HIS 317 HB3 -0.03 -0.01 -0.04 -0.04 3.20 3.08 2bqzA1 HIS 317 HD2 -0.02 0.03 -0.04 -0.04 6.97 6.89 2bqzA1 HIS 317 HE1 -0.01 -0.01 -0.05 -0.04 7.75 7.64 2bqzA1 LEU 318 H -0.14 0.25 0.13 -0.55 8.37 8.07 2bqzA1 LEU 318 HA -0.29 0.27 0.98 -0.75 4.35 4.55 2bqzA1 LEU 318 HB2 -0.23 0.06 0.17 -0.04 1.64 1.60 2bqzA1 LEU 318 HB3 -0.45 0.02 -0.02 -0.04 1.64 1.16 2bqzA1 LEU 318 HG -0.85 -0.05 -0.16 -0.04 1.64 0.53 2bqzA1 LEU 318 HD13 -0.88 0.02 -0.13 -0.04 0.93 -0.10 2bqzA1 LEU 318 HD23 -0.77 0.01 -0.17 -0.04 0.89 -0.08 2bqzA1 ILE 319 H -0.12 0.69 0.37 -0.55 8.25 8.63 2bqzA1 ILE 319 HA -0.10 0.11 1.09 -0.75 4.18 4.53 2bqzA1 ILE 319 HB -0.10 0.05 -0.04 -0.04 1.89 1.76 2bqzA1 ILE 319 HG12 -0.00 0.09 -0.07 -0.04 1.49 1.47 2bqzA1 ILE 319 HG13 -0.05 -0.04 -0.26 -0.04 1.21 0.82 2bqzA1 ILE 319 HG23 0.11 -0.01 -0.30 -0.04 0.93 0.69 2bqzA1 ILE 319 HD13 0.05 -0.00 -0.17 -0.04 0.88 0.72 2bqzA1 LEU 320 H -0.30 0.74 0.36 -0.55 8.37 8.62 2bqzA1 LEU 320 HA -0.19 0.28 0.94 -0.75 4.35 4.62 2bqzA1 LEU 320 HB2 -0.26 -0.03 0.14 -0.04 1.64 1.44 2bqzA1 LEU 320 HB3 -0.21 -0.00 -0.12 -0.04 1.64 1.27 2bqzA1 LEU 320 HG -0.25 -0.04 -0.25 -0.04 1.64 1.06 2bqzA1 LEU 320 HD13 -0.13 0.01 -0.19 -0.04 0.93 0.58 2bqzA1 LEU 320 HD23 -0.57 0.02 -0.29 -0.04 0.89 0.00 2bqzA1 ILE 321 H -0.11 0.65 0.31 -0.55 8.25 8.55 2bqzA1 ILE 321 HA -0.12 0.21 0.91 -0.75 4.18 4.43 2bqzA1 ILE 321 HB -0.03 -0.01 -0.04 -0.04 1.89 1.77 2bqzA1 ILE 321 HG12 -0.03 -0.00 -0.21 -0.04 1.49 1.21 2bqzA1 ILE 321 HG13 0.02 0.04 -0.16 -0.04 1.21 1.06 2bqzA1 ILE 321 HG23 0.01 0.08 -0.35 -0.04 0.93 0.63 2bqzA1 ILE 321 HD13 -0.04 -0.02 -0.55 -0.04 0.88 0.22 2bqzA1 ALA 322 H -0.03 0.64 0.14 -0.55 8.40 8.61 2bqzA1 ALA 322 HA -0.06 0.17 0.65 -0.75 4.34 4.35 2bqzA1 ALA 322 HB3 0.02 0.05 0.04 -0.04 1.41 1.48 2bqzA1 SER 323 H -0.01 0.77 0.25 -0.55 8.46 8.93 2bqzA1 SER 323 HA 0.01 0.09 0.60 -0.75 4.49 4.44 2bqzA1 SER 323 HB2 0.02 -0.02 0.00 -0.04 3.95 3.91 2bqzA1 SER 323 HB3 0.01 -0.05 -0.24 -0.04 3.93 3.61 2bqzA1 ARG 324 H 0.02 0.34 -0.05 -0.55 8.46 8.21 2bqzA1 ARG 324 HA 0.02 0.02 0.47 -0.75 4.34 4.10 2bqzA1 ARG 324 HB2 0.02 0.15 -0.04 -0.04 1.90 1.99 2bqzA1 ARG 324 HB3 0.01 -0.00 -0.17 -0.04 1.80 1.60 2bqzA1 ARG 324 HG2 0.02 -0.20 0.16 -0.04 1.67 1.61 2bqzA1 ARG 324 HG3 0.01 -0.01 0.04 -0.04 1.67 1.67 2bqzA1 ARG 324 HD2 0.02 0.30 -0.19 -0.04 3.22 3.31 2bqzA1 ARG 324 HD3 0.02 -0.06 0.03 -0.04 3.22 3.17 2bqzA1 ASP 325 H 0.03 0.11 0.14 -0.55 8.40 8.14 2bqzA1 ASP 325 HA 0.06 0.12 0.70 -0.75 4.63 4.75 2bqzA1 ASP 325 HB2 0.03 -0.01 0.15 -0.04 2.71 2.84 2bqzA1 ASP 325 HB3 0.04 0.07 0.01 -0.04 2.70 2.77 2bqzA1 ILE 326 H 0.11 0.68 0.36 -0.55 8.25 8.85 2bqzA1 ILE 326 HA 0.05 0.15 0.89 -0.75 4.18 4.51 2bqzA1 ILE 326 HB 0.21 -0.10 0.16 -0.04 1.89 2.12 2bqzA1 ILE 326 HG12 0.01 0.02 -0.12 -0.04 1.49 1.36 2bqzA1 ILE 326 HG13 0.05 0.14 -0.17 -0.04 1.21 1.19 2bqzA1 ILE 326 HG23 0.06 0.03 -0.13 -0.04 0.93 0.85 2bqzA1 ILE 326 HD13 -0.11 0.02 -0.06 -0.04 0.88 0.69 2bqzA1 ALA 327 H 0.05 0.17 0.11 -0.55 8.40 8.18 2bqzA1 ALA 327 HA 0.05 0.06 0.72 -0.75 4.34 4.42 2bqzA1 ALA 327 HB3 0.03 0.02 0.02 -0.04 1.41 1.43 2bqzA1 ALA 328 H 0.03 0.05 -0.04 -0.55 8.40 7.89 2bqzA1 ALA 328 HA 0.06 0.08 0.09 -0.75 4.34 3.82 2bqzA1 ALA 328 HB3 0.02 -0.01 -0.16 -0.04 1.41 1.22 2bqzA1 GLY 329 H 0.04 0.84 0.24 -0.55 8.43 9.01 2bqzA1 GLY 329 HA2 0.02 -0.01 0.33 -0.51 4.01 3.84 2bqzA1 GLY 329 HA3 0.02 0.10 0.63 -0.51 4.01 4.25 2bqzA1 GLU 330 H 0.04 0.47 -0.17 -0.55 8.60 8.38 2bqzA1 GLU 330 HA 0.01 0.09 0.68 -0.75 4.29 4.31 2bqzA1 GLU 330 HB2 0.03 -0.00 0.05 -0.04 2.09 2.13 2bqzA1 GLU 330 HB3 0.01 0.09 -0.03 -0.04 1.99 2.02 2bqzA1 GLU 330 HG2 0.01 0.01 -0.05 -0.04 2.34 2.27 2bqzA1 GLU 330 HG3 0.03 0.08 -0.02 -0.04 2.34 2.38 2bqzA1 GLU 331 H -0.01 0.12 0.16 -0.55 8.60 8.32 2bqzA1 GLU 331 HA -0.00 0.15 0.69 -0.75 4.29 4.37 2bqzA1 GLU 331 HB2 -0.02 -0.02 0.07 -0.04 2.09 2.08 2bqzA1 GLU 331 HB3 -0.03 -0.04 0.04 -0.04 1.99 1.93 2bqzA1 GLU 331 HG2 -0.02 0.25 -0.09 -0.04 2.34 2.43 2bqzA1 GLU 331 HG3 -0.02 -0.02 -0.00 -0.04 2.34 2.26 2bqzA1 LEU 332 H -0.01 0.61 0.34 -0.55 8.37 8.76 2bqzA1 LEU 332 HA -0.03 0.02 0.63 -0.75 4.35 4.22 2bqzA1 LEU 332 HB2 -0.00 0.01 0.05 -0.04 1.64 1.65 2bqzA1 LEU 332 HB3 -0.03 -0.04 -0.10 -0.04 1.64 1.42 2bqzA1 LEU 332 HG -0.04 0.03 -0.12 -0.04 1.64 1.47 2bqzA1 LEU 332 HD13 -0.13 -0.00 -0.20 -0.04 0.93 0.56 2bqzA1 LEU 332 HD23 -0.20 0.00 -0.12 -0.04 0.89 0.53 2bqzA1 LEU 333 H 0.02 0.10 0.17 -0.55 8.37 8.12 2bqzA1 LEU 333 HA -0.01 0.42 0.78 -0.75 4.35 4.79 2bqzA1 LEU 333 HB2 -0.05 -0.13 -0.07 -0.04 1.64 1.35 2bqzA1 LEU 333 HB3 -0.12 -0.00 -0.25 -0.04 1.64 1.22 2bqzA1 LEU 333 HG -0.04 -0.02 -0.88 -0.04 1.64 0.66 2bqzA1 LEU 333 HD13 -0.07 -0.00 -0.19 -0.04 0.93 0.63 2bqzA1 LEU 333 HD23 -0.11 0.06 -0.25 -0.04 0.89 0.56 2bqzA1 TYR 334 H -0.21 0.62 0.31 -0.55 8.29 8.45 2bqzA1 TYR 334 HA -0.01 0.14 0.69 -0.75 4.56 4.63 2bqzA1 TYR 334 HB2 0.07 -0.02 0.03 -0.04 3.06 3.10 2bqzA1 TYR 334 HB3 0.04 -0.06 -0.24 -0.04 2.98 2.68 2bqzA1 TYR 334 HD2 0.15 0.02 -0.35 -0.04 7.15 6.94 2bqzA1 TYR 334 HE2 0.11 0.06 -0.18 -0.04 6.85 6.80 2bqzA1 ASP 335 H 0.22 0.17 0.19 -0.55 8.40 8.44 2bqzA1 ASP 335 HA -0.07 0.06 0.61 -0.75 4.63 4.47 2bqzA1 ASP 335 HB2 0.04 0.09 0.21 -0.04 2.71 3.01 2bqzA1 ASP 335 HB3 0.15 -0.01 0.24 -0.04 2.70 3.05 2bqzA1 TYR 336 H 0.73 0.17 0.22 -0.55 8.29 8.86 2bqzA1 TYR 336 HA -0.04 0.13 0.37 -0.75 4.56 4.26 2bqzA1 TYR 336 HB2 -0.11 -0.04 0.13 -0.04 3.06 3.00 2bqzA1 TYR 336 HB3 -0.12 -0.02 0.05 -0.04 2.98 2.85 2bqzA1 TYR 336 HD2 -0.32 -0.05 -0.10 -0.04 7.15 6.63 2bqzA1 TYR 336 HE2 -0.30 0.09 -0.13 -0.04 6.85 6.48 2bqzA1 GLY 337 H 0.21 0.05 -0.32 -0.55 8.43 7.83 2bqzA1 GLY 337 HA2 0.11 0.01 0.20 -0.51 4.01 3.81 2bqzA1 GLY 337 HA3 0.12 0.16 0.35 -0.51 4.01 4.12 2bqzA1 ASP 338 H 0.02 0.09 -0.41 -0.55 8.40 7.55 2bqzA1 ASP 338 HA -0.02 0.03 0.58 -0.75 4.63 4.48 2bqzA1 ASP 338 HB2 -0.03 0.10 0.03 -0.04 2.71 2.76 2bqzA1 ASP 338 HB3 -0.10 0.03 0.10 -0.04 2.70 2.69 2bqzA1 ARG 339 H -0.03 0.19 0.20 -0.55 8.46 8.27 2bqzA1 ARG 339 HA -0.06 0.25 0.69 -0.75 4.34 4.46 2bqzA1 ARG 339 HB2 -0.02 -0.01 0.07 -0.04 1.90 1.90 2bqzA1 ARG 339 HB3 -0.03 -0.01 0.11 -0.04 1.80 1.84 2bqzA1 ARG 339 HG2 -0.01 0.04 -0.11 -0.04 1.67 1.55 2bqzA1 ARG 339 HG3 -0.00 -0.03 -0.50 -0.04 1.67 1.10 2bqzA1 ARG 339 HD2 0.02 0.06 0.00 -0.04 3.22 3.25 2bqzA1 ARG 339 HD3 0.00 -0.03 -0.01 -0.04 3.22 3.14 2bqzA1 SER 340 H -0.06 0.04 -0.16 -0.55 8.46 7.74 2bqzA1 SER 340 HA -0.04 0.09 0.37 -0.75 4.49 4.15 2bqzA1 SER 340 HB2 -0.04 0.10 0.09 -0.04 3.95 4.05 2bqzA1 SER 340 HB3 -0.05 0.03 0.07 -0.04 3.93 3.94 2bqzA1 LYS 341 H -0.04 0.17 0.19 -0.55 8.42 8.18 2bqzA1 LYS 341 HA -0.06 0.16 0.36 -0.75 4.32 4.02 2bqzA1 LYS 341 HB2 -0.04 0.08 0.10 -0.04 1.87 1.97 2bqzA1 LYS 341 HB3 -0.04 -0.00 0.19 -0.04 1.79 1.90 2bqzA1 LYS 341 HG2 -0.04 0.03 -0.42 -0.04 1.46 0.99 2bqzA1 LYS 341 HG3 -0.03 0.05 -0.03 -0.04 1.46 1.41 2bqzA1 LYS 341 HD2 -0.03 0.03 0.05 -0.04 1.69 1.70 2bqzA1 LYS 341 HD3 -0.03 -0.33 0.07 -0.04 1.68 1.35 2bqzA1 LYS 341 HE2 -0.03 0.04 -0.06 -0.04 2.99 2.89 2bqzA1 LYS 341 HE3 -0.02 0.04 -0.01 -0.04 2.99 2.95 2bqzA1 ALA 342 H -0.04 0.06 -0.14 -0.55 8.40 7.73 2bqzA1 ALA 342 HA -0.04 0.12 0.33 -0.75 4.34 3.99 2bqzA1 ALA 342 HB3 -0.03 0.02 0.02 -0.04 1.41 1.38 2bqzA1 SER 343 H -0.05 -0.00 -0.36 -0.55 8.46 7.50 2bqzA1 SER 343 HA 0.02 0.11 0.41 -0.75 4.49 4.28 2bqzA1 SER 343 HB2 -0.08 0.03 0.01 -0.04 3.95 3.86 2bqzA1 SER 343 HB3 -0.11 0.08 -0.07 -0.04 3.93 3.78 2bqzA1 ILE 344 H -0.10 0.56 -0.19 -0.55 8.25 7.97 2bqzA1 ILE 344 HA -0.23 0.16 0.27 -0.75 4.18 3.62 2bqzA1 ILE 344 HB -0.10 0.04 0.00 -0.04 1.89 1.79 2bqzA1 ILE 344 HG12 -0.19 -0.05 -0.14 -0.04 1.49 1.07 2bqzA1 ILE 344 HG13 -0.15 -0.03 -0.17 -0.04 1.21 0.82 2bqzA1 ILE 344 HG23 -0.11 -0.01 -0.16 -0.04 0.93 0.61 2bqzA1 ILE 344 HD13 -0.09 0.01 -0.18 -0.04 0.88 0.58 2bqzA1 GLU 345 H -0.09 0.47 -0.27 -0.55 8.60 8.16 2bqzA1 GLU 345 HA -0.08 0.01 0.42 -0.75 4.29 3.89 2bqzA1 GLU 345 HB2 -0.06 0.06 0.10 -0.04 2.09 2.15 2bqzA1 GLU 345 HB3 -0.07 0.08 0.11 -0.04 1.99 2.07 2bqzA1 GLU 345 HG2 -0.06 0.02 -0.12 -0.04 2.34 2.14 2bqzA1 GLU 345 HG3 -0.05 -0.03 0.03 -0.04 2.34 2.25 2bqzA1 ALA 346 H -0.14 0.39 -0.24 -0.55 8.40 7.86 2bqzA1 ALA 346 HA -0.22 0.05 0.53 -0.75 4.34 3.94 2bqzA1 ALA 346 HB3 -0.31 -0.01 0.10 -0.04 1.41 1.15 2bqzA1 HIS 347 H -0.24 0.30 -0.45 -0.55 8.41 7.47 2bqzA1 HIS 347 HA -0.27 0.15 0.85 -0.75 4.63 4.61 2bqzA1 HIS 347 HB2 -0.81 0.02 0.15 -0.04 3.26 2.58 2bqzA1 HIS 347 HB3 -1.65 -0.10 0.11 -0.04 3.20 1.51 2bqzA1 HIS 347 HD2 -0.16 -0.02 0.01 -0.04 6.97 6.76 2bqzA1 HIS 347 HE1 0.13 0.01 -0.01 -0.04 7.75 7.84 2bqzA1 PRO 348 HA -0.13 0.15 0.48 -0.51 4.44 4.43 2bqzA1 PRO 348 HB2 0.06 -0.02 0.01 -0.04 2.28 2.29 2bqzA1 PRO 348 HB3 0.02 -0.00 0.11 -0.04 2.02 2.10 2bqzA1 PRO 348 HG2 0.00 -0.01 0.05 -0.04 2.03 2.03 2bqzA1 PRO 348 HG3 -0.05 0.16 0.06 -0.04 2.03 2.15 2bqzA1 PRO 348 HD2 0.01 0.05 0.11 -0.04 3.68 3.81 2bqzA1 PRO 348 HD3 -0.13 0.27 -0.40 -0.04 3.65 3.35 2bqzA1 TRP 349 H -0.20 0.16 -0.37 -0.55 7.97 7.02 2bqzA1 TRP 349 HA 0.14 0.06 0.39 -0.75 4.62 4.46 2bqzA1 TRP 349 HB2 0.03 0.01 0.09 -0.04 3.23 3.32 2bqzA1 TRP 349 HB3 0.03 0.04 0.09 -0.04 3.23 3.34 2bqzA1 TRP 349 HD1 0.05 0.01 0.05 -0.04 7.22 7.29 2bqzA1 TRP 349 HE1 0.18 0.06 0.06 -0.04 10.20 10.46 2bqzA1 TRP 349 HE3 -0.12 -0.06 -0.41 -0.04 7.59 6.96 2bqzA1 TRP 349 HZ2 -0.28 0.03 0.02 -0.04 7.44 7.17 2bqzA1 TRP 349 HZ3 -0.61 -0.09 -0.02 -0.04 7.13 6.38 2bqzA1 TRP 349 HH2 -0.08 0.01 0.02 -0.04 7.19 7.10 2bqzA1 LEU 350 H -0.66 0.60 -0.35 -0.55 8.37 7.41 2bqzA1 LEU 350 HA -0.48 -0.01 0.35 -0.75 4.35 3.46 2bqzA1 LEU 350 HB2 -0.51 0.21 0.06 -0.04 1.64 1.36 2bqzA1 LEU 350 HB3 -0.36 0.04 0.01 -0.04 1.64 1.29 2bqzA1 LEU 350 HG -1.75 -0.01 0.00 -0.04 1.64 -0.15 2bqzA1 LEU 350 HD13 -0.42 0.04 -0.13 -0.04 0.93 0.39 2bqzA1 LEU 350 HD23 -0.56 -0.01 0.03 -0.04 0.89 0.31 2bqzA1 LYS 351 H -0.08 0.47 -0.39 -0.55 8.42 7.87 2bqzA1 LYS 351 HA -0.13 0.08 0.46 -0.75 4.32 3.98 2bqzA1 LYS 351 HB2 -0.16 -0.03 0.06 -0.04 1.87 1.69 2bqzA1 LYS 351 HB3 -0.28 0.18 0.07 -0.04 1.79 1.71 2bqzA1 LYS 351 HG2 -0.67 -0.01 -0.04 -0.04 1.46 0.70 2bqzA1 LYS 351 HG3 -0.22 -0.03 0.11 -0.04 1.46 1.27 2bqzA1 LYS 351 HD2 -0.11 0.04 0.00 -0.04 1.69 1.58 2bqzA1 LYS 351 HD3 -0.13 -0.04 -0.00 -0.04 1.68 1.47 2bqzA1 LYS 351 HE2 -0.10 -0.01 -0.00 -0.04 2.99 2.83 2bqzA1 LYS 351 HE3 -0.09 0.03 -0.02 -0.04 2.99 2.87 2bqzA1 HIS 352 H 0.20 0.40 -0.47 -0.55 8.41 7.99 2bqzA1 HIS 352 HA 0.04 0.24 0.76 -0.75 4.63 4.91 2bqzA1 HIS 352 HB2 0.10 0.08 0.05 -0.04 3.26 3.45 2bqzA1 HIS 352 HB3 0.04 -0.02 0.03 -0.04 3.20 3.20 2bqzA1 HIS 352 HD2 0.06 0.11 -0.08 -0.04 6.97 7.02 2bqzA1 HIS 352 HE1 0.01 -0.02 -0.06 -0.04 7.75 7.64