============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 1 0.900 19.002 52.151 68.341 -99.200 -91.000 HIS 18 0.900 6.814 46.068 44.433 -99.200 -91.000 HIS 19 0.900 6.288 52.546 45.330 -99.200 -91.000 TYR 22 0.840 2.823 44.450 41.230 -99.200 -91.000 TYR 26 0.840 -2.222 44.149 38.204 -99.200 -91.000 PHE 29 1.000 -0.960 41.597 33.620 -99.200 -91.000 PHE 32 1.000 1.531 40.293 29.503 -99.200 -91.000 HIS 44 0.900 -2.912 36.501 29.332 -99.200 -91.000 TYR 51 0.840 4.857 43.065 32.350 -99.200 -91.000 PHE 59 1.000 12.871 44.158 44.137 -99.200 -91.000 PHE 66 1.000 21.308 40.870 41.431 -99.200 -91.000 PHE 94 1.000 -4.856 34.539 46.355 -99.200 -91.000 TRP 101 1.040 -2.301 35.141 41.861 -99.200 -91.000 TRP6 101 1.020 -2.737 32.816 41.830 -99.200 -91.000 PHE 108 1.000 -5.793 41.128 30.746 -99.200 -91.000 TYR 110 0.840 -4.353 36.069 35.039 -99.200 -91.000 HIS 120 0.900 2.767 24.462 35.918 -99.200 -91.000 PHE 131 1.000 3.827 31.807 49.424 -99.200 -91.000 HIS 141 0.900 3.616 48.040 58.083 -99.200 -91.000 HIS 145 0.900 5.211 42.374 48.378 -99.200 -91.000 HIS 164 0.900 29.584 29.415 49.576 -99.200 -91.000 TYR 181 0.840 9.147 48.673 58.356 -99.200 -91.000 HIS 186 0.900 3.601 45.076 60.669 -99.200 -91.000 TYR 193 0.840 13.388 37.900 60.866 -99.200 -91.000 HIS 210 0.900 7.573 26.612 37.624 -99.200 -91.000 TYR 214 0.840 9.912 25.450 32.283 -99.200 -91.000 PHE 219 1.000 12.749 17.286 29.661 -99.200 -91.000 HIS 223 0.900 2.092 20.724 25.561 -99.200 -91.000 PHE 235 1.000 10.847 29.844 35.017 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2hc4A1 HIS 154 HA -0.01 -0.04 0.13 -0.75 4.63 3.95 2hc4A1 HIS 154 HB2 -0.01 -0.00 0.05 -0.04 3.26 3.26 2hc4A1 HIS 154 HB3 -0.01 -0.01 0.03 -0.04 3.20 3.16 2hc4A1 HIS 154 HD2 -0.01 0.01 0.02 -0.04 6.97 6.95 2hc4A1 HIS 154 HE1 -0.00 -0.03 0.02 -0.04 7.75 7.69 2hc4A1 MET 155 H -0.46 0.20 0.10 -0.55 8.47 7.77 2hc4A1 MET 155 HA -0.07 0.08 0.48 -0.75 4.52 4.25 2hc4A1 MET 155 HB2 -0.10 -0.04 0.09 -0.04 2.15 2.06 2hc4A1 MET 155 HB3 -0.16 0.17 -0.16 -0.04 2.03 1.84 2hc4A1 MET 155 HG2 -0.51 -0.09 -0.08 -0.04 2.63 1.92 2hc4A1 MET 155 HG3 -0.20 0.13 -0.19 -0.04 2.56 2.26 2hc4A1 MET 155 HE3 -0.06 -0.01 -0.04 -0.04 2.10 1.95 2hc4A1 LEU 156 H -0.02 0.13 0.08 -0.55 8.37 8.02 2hc4A1 LEU 156 HA 0.04 0.01 0.36 -0.75 4.35 4.01 2hc4A1 LEU 156 HB2 0.03 0.03 0.01 -0.04 1.64 1.66 2hc4A1 LEU 156 HB3 0.05 -0.06 0.05 -0.04 1.64 1.64 2hc4A1 LEU 156 HG 0.01 0.03 0.02 -0.04 1.64 1.66 2hc4A1 LEU 156 HD13 0.13 0.01 -0.03 -0.04 0.93 0.99 2hc4A1 LEU 156 HD23 0.08 -0.00 -0.09 -0.04 0.89 0.84 2hc4A1 SER 157 H 0.04 0.03 0.19 -0.55 8.46 8.18 2hc4A1 SER 157 HA 0.02 0.27 0.70 -0.75 4.49 4.73 2hc4A1 SER 157 HB2 0.03 -0.03 0.19 -0.04 3.95 4.10 2hc4A1 SER 157 HB3 0.05 0.16 0.13 -0.04 3.93 4.23 2hc4A1 ASP 158 H 0.02 0.21 0.18 -0.55 8.40 8.26 2hc4A1 ASP 158 HA 0.02 0.15 0.43 -0.75 4.63 4.48 2hc4A1 ASP 158 HB2 0.01 -0.04 0.18 -0.04 2.71 2.83 2hc4A1 ASP 158 HB3 0.01 0.06 0.01 -0.04 2.70 2.74 2hc4A1 GLU 159 H 0.02 0.11 -0.02 -0.55 8.60 8.17 2hc4A1 GLU 159 HA 0.01 0.12 0.39 -0.75 4.29 4.06 2hc4A1 GLU 159 HB2 0.01 0.04 0.11 -0.04 2.09 2.21 2hc4A1 GLU 159 HB3 0.02 -0.05 0.07 -0.04 1.99 2.00 2hc4A1 GLU 159 HG2 0.02 0.01 -0.17 -0.04 2.34 2.15 2hc4A1 GLU 159 HG3 0.01 0.04 0.02 -0.04 2.34 2.37 2hc4A1 GLN 160 H 0.03 0.00 -0.30 -0.55 8.47 7.66 2hc4A1 GLN 160 HA 0.03 0.10 0.41 -0.75 4.36 4.15 2hc4A1 GLN 160 HB2 0.04 -0.08 0.17 -0.04 2.15 2.23 2hc4A1 GLN 160 HB3 0.06 0.07 0.02 -0.04 2.02 2.12 2hc4A1 GLN 160 HG2 0.04 0.09 0.05 -0.04 2.40 2.53 2hc4A1 GLN 160 HG3 0.03 -0.05 0.06 -0.04 2.39 2.39 2hc4A1 GLN 160 HE21 0.04 0.07 -0.03 -0.04 6.97 7.00 2hc4A1 GLN 160 HE22 0.04 0.03 -0.08 -0.04 7.69 7.64 2hc4A1 MET 161 H 0.03 0.54 -0.22 -0.55 8.47 8.27 2hc4A1 MET 161 HA 0.05 0.03 0.49 -0.75 4.52 4.34 2hc4A1 MET 161 HB2 0.04 0.02 0.03 -0.04 2.15 2.19 2hc4A1 MET 161 HB3 0.03 0.08 0.15 -0.04 2.03 2.25 2hc4A1 MET 161 HG2 0.04 -0.07 0.03 -0.04 2.63 2.59 2hc4A1 MET 161 HG3 0.04 0.01 -0.00 -0.04 2.56 2.56 2hc4A1 MET 161 HE3 0.02 -0.01 -0.25 -0.04 2.10 1.82 2hc4A1 GLN 162 H 0.02 0.59 -0.10 -0.55 8.47 8.43 2hc4A1 GLN 162 HA 0.02 0.03 0.48 -0.75 4.36 4.13 2hc4A1 GLN 162 HB2 0.01 0.08 0.17 -0.04 2.15 2.37 2hc4A1 GLN 162 HB3 0.01 -0.02 0.04 -0.04 2.02 2.00 2hc4A1 GLN 162 HG2 0.01 -0.03 0.02 -0.04 2.40 2.36 2hc4A1 GLN 162 HG3 0.01 0.24 0.01 -0.04 2.39 2.61 2hc4A1 GLN 162 HE21 0.01 0.00 -0.03 -0.04 6.97 6.91 2hc4A1 GLN 162 HE22 0.01 -0.02 -0.04 -0.04 7.69 7.60 2hc4A1 ILE 163 H 0.02 0.45 -0.20 -0.55 8.25 7.97 2hc4A1 ILE 163 HA -0.00 0.06 0.50 -0.75 4.18 3.98 2hc4A1 ILE 163 HB 0.02 0.13 0.19 -0.04 1.89 2.19 2hc4A1 ILE 163 HG12 0.00 -0.01 0.06 -0.04 1.49 1.50 2hc4A1 ILE 163 HG13 0.01 0.11 0.08 -0.04 1.21 1.37 2hc4A1 ILE 163 HG23 0.00 -0.00 -0.08 -0.04 0.93 0.80 2hc4A1 ILE 163 HD13 0.02 -0.03 -0.05 -0.04 0.88 0.77 2hc4A1 ILE 164 H 0.02 0.36 -0.20 -0.55 8.25 7.87 2hc4A1 ILE 164 HA -0.01 0.03 0.43 -0.75 4.18 3.88 2hc4A1 ILE 164 HB 0.04 0.16 0.20 -0.04 1.89 2.24 2hc4A1 ILE 164 HG12 -0.01 -0.03 0.02 -0.04 1.49 1.43 2hc4A1 ILE 164 HG13 0.04 0.28 0.15 -0.04 1.21 1.64 2hc4A1 ILE 164 HG23 -0.01 -0.02 -0.06 -0.04 0.93 0.79 2hc4A1 ILE 164 HD13 0.12 -0.03 -0.02 -0.04 0.88 0.91 2hc4A1 ASN 165 H 0.01 0.47 -0.15 -0.55 8.53 8.31 2hc4A1 ASN 165 HA 0.01 -0.01 0.39 -0.75 4.76 4.39 2hc4A1 ASN 165 HB2 0.01 0.10 0.21 -0.04 2.88 3.17 2hc4A1 ASN 165 HB3 0.01 -0.02 -0.02 -0.04 2.79 2.73 2hc4A1 ASN 165 HD21 0.02 -0.03 -0.02 -0.04 7.03 6.96 2hc4A1 ASN 165 HD22 0.02 -0.01 0.00 -0.04 7.74 7.71 2hc4A1 SER 166 H -0.00 0.52 -0.15 -0.55 8.46 8.27 2hc4A1 SER 166 HA -0.01 -0.00 0.45 -0.75 4.49 4.18 2hc4A1 SER 166 HB2 -0.02 0.07 0.24 -0.04 3.95 4.20 2hc4A1 SER 166 HB3 -0.04 0.13 0.07 -0.04 3.93 4.06 2hc4A1 LEU 167 H -0.01 0.50 -0.10 -0.55 8.37 8.21 2hc4A1 LEU 167 HA -0.02 0.10 0.48 -0.75 4.35 4.15 2hc4A1 LEU 167 HB2 0.01 0.05 0.14 -0.04 1.64 1.79 2hc4A1 LEU 167 HB3 0.11 -0.05 -0.07 -0.04 1.64 1.59 2hc4A1 LEU 167 HG -0.04 0.13 0.11 -0.04 1.64 1.79 2hc4A1 LEU 167 HD13 0.01 -0.01 -0.07 -0.04 0.93 0.82 2hc4A1 LEU 167 HD23 -0.20 0.01 -0.01 -0.04 0.89 0.64 2hc4A1 VAL 168 H -0.01 0.64 -0.02 -0.55 8.24 8.29 2hc4A1 VAL 168 HA -0.07 0.01 0.41 -0.75 4.13 3.73 2hc4A1 VAL 168 HB -0.06 0.10 0.13 -0.04 2.12 2.25 2hc4A1 VAL 168 HG13 -0.29 -0.02 -0.14 -0.04 0.97 0.48 2hc4A1 VAL 168 HG23 -0.05 0.02 -0.01 -0.04 0.95 0.87 2hc4A1 GLU 169 H -0.03 0.53 -0.18 -0.55 8.60 8.38 2hc4A1 GLU 169 HA 0.00 -0.00 0.45 -0.75 4.29 3.98 2hc4A1 GLU 169 HB2 0.03 -0.01 0.11 -0.04 2.09 2.18 2hc4A1 GLU 169 HB3 0.02 0.14 0.11 -0.04 1.99 2.22 2hc4A1 GLU 169 HG2 0.05 0.02 -0.16 -0.04 2.34 2.21 2hc4A1 GLU 169 HG3 0.07 -0.05 0.04 -0.04 2.34 2.36 2hc4A1 ALA 170 H 0.05 0.48 -0.20 -0.55 8.40 8.18 2hc4A1 ALA 170 HA 0.08 0.01 0.40 -0.75 4.34 4.09 2hc4A1 ALA 170 HB3 0.03 0.05 0.12 -0.04 1.41 1.57 2hc4A1 HIS 171 H 0.32 0.60 -0.13 -0.55 8.41 8.65 2hc4A1 HIS 171 HA 0.15 0.03 0.36 -0.75 4.63 4.41 2hc4A1 HIS 171 HB2 0.04 0.01 0.10 -0.04 3.26 3.37 2hc4A1 HIS 171 HB3 -0.03 0.11 0.14 -0.04 3.20 3.38 2hc4A1 HIS 171 HD2 0.02 -0.03 -0.07 -0.04 6.97 6.84 2hc4A1 HIS 171 HE1 -0.15 0.02 -0.05 -0.04 7.75 7.53 2hc4A1 HIS 172 H 0.06 0.47 -0.19 -0.55 8.41 8.20 2hc4A1 HIS 172 HA -0.08 0.04 0.47 -0.75 4.63 4.31 2hc4A1 HIS 172 HB2 0.04 0.09 0.17 -0.04 3.26 3.53 2hc4A1 HIS 172 HB3 0.01 -0.07 0.03 -0.04 3.20 3.13 2hc4A1 HIS 172 HD2 0.00 0.01 -0.03 -0.04 6.97 6.90 2hc4A1 HIS 172 HE1 0.03 -0.06 -0.03 -0.04 7.75 7.64 2hc4A1 LYS 173 H 0.13 0.48 -0.39 -0.55 8.42 8.08 2hc4A1 LYS 173 HA 0.06 0.01 0.51 -0.75 4.32 4.14 2hc4A1 LYS 173 HB2 0.07 -0.02 0.08 -0.04 1.87 1.96 2hc4A1 LYS 173 HB3 0.08 0.17 0.10 -0.04 1.79 2.09 2hc4A1 LYS 173 HG2 0.04 -0.01 0.07 -0.04 1.46 1.52 2hc4A1 LYS 173 HG3 0.04 -0.08 0.08 -0.04 1.46 1.46 2hc4A1 LYS 173 HD2 0.04 0.05 -0.03 -0.04 1.69 1.70 2hc4A1 LYS 173 HD3 0.03 -0.06 -0.01 -0.04 1.68 1.60 2hc4A1 LYS 173 HE2 0.03 -0.06 -0.01 -0.04 2.99 2.92 2hc4A1 LYS 173 HE3 0.05 0.09 -0.04 -0.04 2.99 3.05 2hc4A1 THR 174 H 0.07 0.35 -0.48 -0.55 8.28 7.68 2hc4A1 THR 174 HA 0.03 0.14 0.91 -0.75 4.39 4.70 2hc4A1 THR 174 HB 0.06 -0.07 0.19 -0.04 4.32 4.46 2hc4A1 THR 174 HG23 0.09 -0.03 -0.21 -0.04 1.22 1.02 2hc4A1 TYR 175 H 0.04 0.30 -0.17 -0.55 8.29 7.91 2hc4A1 TYR 175 HA 0.03 0.08 0.80 -0.75 4.56 4.71 2hc4A1 TYR 175 HB2 -0.21 0.02 -0.19 -0.04 3.06 2.65 2hc4A1 TYR 175 HB3 -0.52 0.03 0.11 -0.04 2.98 2.57 2hc4A1 TYR 175 HD2 0.06 -0.06 -0.33 -0.04 7.15 6.77 2hc4A1 TYR 175 HE2 0.15 0.03 -0.20 -0.04 6.85 6.78 2hc4A1 ASP 176 H -0.13 0.15 0.03 -0.55 8.40 7.91 2hc4A1 ASP 176 HA -0.06 0.17 0.71 -0.75 4.63 4.69 2hc4A1 ASP 176 HB2 -0.04 0.13 0.07 -0.04 2.71 2.83 2hc4A1 ASP 176 HB3 -0.06 0.03 0.18 -0.04 2.70 2.81 2hc4A1 ASP 177 H -0.10 0.23 0.23 -0.55 8.40 8.21 2hc4A1 ASP 177 HA -0.39 0.20 0.44 -0.75 4.63 4.13 2hc4A1 ASP 177 HB2 -0.09 -0.05 0.14 -0.04 2.71 2.68 2hc4A1 ASP 177 HB3 -0.09 0.03 0.10 -0.04 2.70 2.70 2hc4A1 SER 178 H -0.31 -0.08 -0.33 -0.55 8.46 7.19 2hc4A1 SER 178 HA -0.17 0.26 0.77 -0.75 4.49 4.59 2hc4A1 SER 178 HB2 -0.08 0.05 0.07 -0.04 3.95 3.95 2hc4A1 SER 178 HB3 -0.11 0.01 0.03 -0.04 3.93 3.81 2hc4A1 TYR 179 H -0.54 0.11 -0.18 -0.55 8.29 7.13 2hc4A1 TYR 179 HA -0.42 -0.01 0.33 -0.75 4.56 3.71 2hc4A1 TYR 179 HB2 -0.53 0.40 0.16 -0.04 3.06 3.06 2hc4A1 TYR 179 HB3 -1.85 -0.13 0.20 -0.04 2.98 1.16 2hc4A1 TYR 179 HD2 -0.31 0.04 -0.08 -0.04 7.15 6.76 2hc4A1 TYR 179 HE2 -0.05 0.02 -0.02 -0.04 6.85 6.76 2hc4A1 SER 180 H -0.11 0.01 -0.21 -0.55 8.46 7.60 2hc4A1 SER 180 HA -0.03 0.18 0.34 -0.75 4.49 4.22 2hc4A1 SER 180 HB2 -0.02 0.03 0.05 -0.04 3.95 3.98 2hc4A1 SER 180 HB3 -0.04 0.02 0.02 -0.04 3.93 3.89 2hc4A1 ASP 181 H -0.06 0.05 -0.30 -0.55 8.40 7.54 2hc4A1 ASP 181 HA -0.08 0.11 0.44 -0.75 4.63 4.35 2hc4A1 ASP 181 HB2 -0.21 0.02 -0.03 -0.04 2.71 2.46 2hc4A1 ASP 181 HB3 -0.15 0.04 0.01 -0.04 2.70 2.55 2hc4A1 PHE 182 H -0.10 0.38 -0.35 -0.55 8.34 7.72 2hc4A1 PHE 182 HA -2.09 0.03 0.27 -0.75 4.62 2.07 2hc4A1 PHE 182 HB2 -0.82 0.21 0.07 -0.04 3.15 2.57 2hc4A1 PHE 182 HB3 -1.79 -0.02 0.00 -0.04 3.06 1.21 2hc4A1 PHE 182 HD2 -0.65 -0.14 -0.06 -0.04 7.28 6.39 2hc4A1 PHE 182 HE2 -0.03 -0.02 -0.04 -0.04 7.38 7.26 2hc4A1 PHE 182 HZ -0.02 0.02 -0.03 -0.04 7.32 7.25 2hc4A1 VAL 183 H -0.10 0.24 -0.55 -0.55 8.24 7.28 2hc4A1 VAL 183 HA 0.27 0.12 0.51 -0.75 4.13 4.27 2hc4A1 VAL 183 HB 0.10 -0.02 0.08 -0.04 2.12 2.24 2hc4A1 VAL 183 HG13 0.19 -0.01 0.00 -0.04 0.97 1.11 2hc4A1 VAL 183 HG23 0.02 0.04 -0.07 -0.04 0.95 0.89 2hc4A1 ARG 184 H -0.20 0.58 -0.12 -0.55 8.46 8.17 2hc4A1 ARG 184 HA 0.05 0.09 0.56 -0.75 4.34 4.28 2hc4A1 ARG 184 HB2 0.02 0.08 0.07 -0.04 1.90 2.02 2hc4A1 ARG 184 HB3 0.08 -0.05 0.11 -0.04 1.80 1.90 2hc4A1 ARG 184 HG2 0.03 -0.01 -0.01 -0.04 1.67 1.63 2hc4A1 ARG 184 HG3 -0.02 -0.01 0.05 -0.04 1.67 1.65 2hc4A1 ARG 184 HD2 0.05 -0.02 0.02 -0.04 3.22 3.23 2hc4A1 ARG 184 HD3 0.04 -0.05 0.01 -0.04 3.22 3.17 2hc4A1 PHE 185 H -0.09 0.20 -0.60 -0.55 8.34 7.29 2hc4A1 PHE 185 HA -0.07 0.01 0.51 -0.75 4.62 4.31 2hc4A1 PHE 185 HB2 -0.06 0.18 -0.03 -0.04 3.15 3.20 2hc4A1 PHE 185 HB3 -0.28 0.03 0.02 -0.04 3.06 2.78 2hc4A1 PHE 185 HD2 -0.59 0.02 -0.22 -0.04 7.28 6.44 2hc4A1 PHE 185 HE2 -1.00 -0.03 -0.10 -0.04 7.38 6.21 2hc4A1 PHE 185 HZ -1.54 -0.05 -0.11 -0.04 7.32 5.58 2hc4A1 ARG 186 H 0.11 0.05 0.10 -0.55 8.46 8.17 2hc4A1 ARG 186 HA 0.12 0.05 0.38 -0.75 4.34 4.14 2hc4A1 ARG 186 HB2 0.07 0.00 -0.05 -0.04 1.90 1.88 2hc4A1 ARG 186 HB3 0.09 0.06 -0.07 -0.04 1.80 1.85 2hc4A1 ARG 186 HG2 0.06 -0.00 0.05 -0.04 1.67 1.73 2hc4A1 ARG 186 HG3 0.05 -0.03 0.07 -0.04 1.67 1.72 2hc4A1 ARG 186 HD2 0.03 -0.00 0.03 -0.04 3.22 3.24 2hc4A1 ARG 186 HD3 0.02 -0.02 0.04 -0.04 3.22 3.22 2hc4A1 PRO 187 HA 0.18 0.10 0.41 -0.51 4.44 4.61 2hc4A1 PRO 187 HB2 0.04 0.09 0.03 -0.04 2.28 2.39 2hc4A1 PRO 187 HB3 0.08 -0.02 0.14 -0.04 2.02 2.18 2hc4A1 PRO 187 HG2 0.07 0.00 0.05 -0.04 2.03 2.10 2hc4A1 PRO 187 HG3 0.06 -0.02 0.08 -0.04 2.03 2.10 2hc4A1 PRO 187 HD2 0.09 0.00 0.21 -0.04 3.68 3.95 2hc4A1 PRO 187 HD3 0.11 0.17 0.20 -0.04 3.65 4.09 2hc4A1 PRO 188 HA 0.04 0.07 0.59 -0.51 4.44 4.63 2hc4A1 PRO 188 HB2 -0.01 -0.02 -0.00 -0.04 2.28 2.20 2hc4A1 PRO 188 HB3 -0.43 0.02 0.06 -0.04 2.02 1.64 2hc4A1 PRO 188 HG2 -0.08 -0.06 0.02 -0.04 2.03 1.86 2hc4A1 PRO 188 HG3 -0.11 0.07 -0.03 -0.04 2.03 1.92 2hc4A1 PRO 188 HD2 -0.02 0.03 0.20 -0.04 3.68 3.85 2hc4A1 PRO 188 HD3 -0.30 0.19 0.09 -0.04 3.65 3.59 2hc4A1 VAL 189 H 0.04 0.21 0.06 -0.55 8.24 8.01 2hc4A1 VAL 189 HA 0.01 0.08 0.77 -0.75 4.13 4.24 2hc4A1 VAL 189 HB 0.03 0.16 0.09 -0.04 2.12 2.36 2hc4A1 VAL 189 HG13 0.02 -0.03 -0.10 -0.04 0.97 0.81 2hc4A1 VAL 189 HG23 0.03 0.04 -0.26 -0.04 0.95 0.72 2hc4A1 ARG 190 H 0.01 0.16 -0.01 -0.55 8.46 8.07 2hc4A1 ARG 190 HA 0.03 0.20 0.69 -0.75 4.34 4.51 2hc4A1 ARG 190 HB2 0.01 0.03 0.06 -0.04 1.90 1.96 2hc4A1 ARG 190 HB3 0.02 0.00 0.06 -0.04 1.80 1.84 2hc4A1 ARG 190 HG2 0.04 -0.01 -0.01 -0.04 1.67 1.65 2hc4A1 ARG 190 HG3 0.05 0.01 -0.06 -0.04 1.67 1.63 2hc4A1 ARG 190 HD2 0.03 -0.09 -0.27 -0.04 3.22 2.86 2hc4A1 ARG 190 HD3 0.01 0.02 -0.06 -0.04 3.22 3.15 2hc4A1 ARG 251 HA 0.01 -0.13 0.25 -0.75 4.34 3.72 2hc4A1 ARG 251 HB2 0.06 0.03 0.09 -0.04 1.90 2.04 2hc4A1 ARG 251 HB3 0.08 0.01 -0.04 -0.04 1.80 1.80 2hc4A1 ARG 251 HG2 0.03 -0.01 0.05 -0.04 1.67 1.70 2hc4A1 ARG 251 HG3 0.05 0.00 0.02 -0.04 1.67 1.70 2hc4A1 ARG 251 HD2 0.03 -0.01 0.02 -0.04 3.22 3.22 2hc4A1 ARG 251 HD3 0.05 0.01 0.01 -0.04 3.22 3.24 2hc4A1 LEU 252 H -0.03 0.03 0.08 -0.55 8.37 7.90 2hc4A1 LEU 252 HA -0.06 0.07 0.34 -0.75 4.35 3.95 2hc4A1 LEU 252 HB2 -0.16 0.23 0.09 -0.04 1.64 1.76 2hc4A1 LEU 252 HB3 -0.17 -0.04 0.06 -0.04 1.64 1.45 2hc4A1 LEU 252 HG -0.23 -0.06 -0.36 -0.04 1.64 0.95 2hc4A1 LEU 252 HD13 -0.80 0.03 -0.14 -0.04 0.93 -0.02 2hc4A1 LEU 252 HD23 -0.14 -0.04 -0.12 -0.04 0.89 0.54 2hc4A1 SER 253 H -0.00 0.02 -0.10 -0.55 8.46 7.84 2hc4A1 SER 253 HA 0.01 0.14 0.43 -0.75 4.49 4.31 2hc4A1 SER 253 HB2 0.02 -0.05 0.09 -0.04 3.95 3.98 2hc4A1 SER 253 HB3 0.01 0.01 0.24 -0.04 3.93 4.15 2hc4A1 MET 254 H 0.01 0.27 -0.13 -0.55 8.47 8.07 2hc4A1 MET 254 HA 0.06 0.03 0.77 -0.75 4.52 4.63 2hc4A1 MET 254 HB2 0.03 0.03 -0.17 -0.04 2.15 1.99 2hc4A1 MET 254 HB3 0.05 -0.09 -0.05 -0.04 2.03 1.91 2hc4A1 MET 254 HG2 0.05 0.14 0.01 -0.04 2.63 2.80 2hc4A1 MET 254 HG3 0.08 -0.04 0.05 -0.04 2.56 2.61 2hc4A1 MET 254 HE3 0.22 0.01 -0.05 -0.04 2.10 2.24 2hc4A1 LEU 255 H -0.01 0.46 -0.22 -0.55 8.37 8.05 2hc4A1 LEU 255 HA -0.03 -0.06 0.37 -0.75 4.35 3.88 2hc4A1 LEU 255 HB2 -0.09 -0.04 0.18 -0.04 1.64 1.65 2hc4A1 LEU 255 HB3 -0.04 0.20 0.16 -0.04 1.64 1.92 2hc4A1 LEU 255 HG -0.03 -0.01 -0.27 -0.04 1.64 1.29 2hc4A1 LEU 255 HD13 -0.05 0.02 0.05 -0.04 0.93 0.90 2hc4A1 LEU 255 HD23 -0.08 0.02 -0.01 -0.04 0.89 0.77 2hc4A1 PRO 256 HA -0.01 0.18 0.51 -0.51 4.44 4.61 2hc4A1 PRO 256 HB2 0.06 0.09 0.02 -0.04 2.28 2.41 2hc4A1 PRO 256 HB3 0.03 0.01 0.09 -0.04 2.02 2.11 2hc4A1 PRO 256 HG2 0.03 0.05 0.07 -0.04 2.03 2.15 2hc4A1 PRO 256 HG3 0.02 0.05 0.08 -0.04 2.03 2.14 2hc4A1 PRO 256 HD2 0.03 0.25 -0.16 -0.04 3.68 3.77 2hc4A1 PRO 256 HD3 0.00 0.21 0.11 -0.04 3.65 3.94 2hc4A1 HIS 257 H 0.13 0.23 -0.23 -0.55 8.41 8.00 2hc4A1 HIS 257 HA -0.00 0.15 0.46 -0.75 4.63 4.48 2hc4A1 HIS 257 HB2 0.09 0.17 -0.24 -0.04 3.26 3.24 2hc4A1 HIS 257 HB3 0.04 -0.03 0.07 -0.04 3.20 3.24 2hc4A1 HIS 257 HD2 0.08 -0.05 -0.19 -0.04 6.97 6.76 2hc4A1 HIS 257 HE1 0.18 0.12 -0.07 -0.04 7.75 7.93 2hc4A1 LEU 258 H 0.00 0.59 -0.05 -0.55 8.37 8.36 2hc4A1 LEU 258 HA -0.31 0.01 0.43 -0.75 4.35 3.72 2hc4A1 LEU 258 HB2 -0.07 0.12 0.03 -0.04 1.64 1.69 2hc4A1 LEU 258 HB3 -0.15 -0.06 0.00 -0.04 1.64 1.39 2hc4A1 LEU 258 HG -0.01 0.17 0.00 -0.04 1.64 1.76 2hc4A1 LEU 258 HD13 -0.05 -0.02 -0.15 -0.04 0.93 0.66 2hc4A1 LEU 258 HD23 -0.35 -0.02 -0.11 -0.04 0.89 0.37 2hc4A1 ALA 259 H -0.10 0.59 -0.31 -0.55 8.40 8.03 2hc4A1 ALA 259 HA -0.06 -0.02 0.44 -0.75 4.34 3.94 2hc4A1 ALA 259 HB3 -0.05 0.03 0.11 -0.04 1.41 1.46 2hc4A1 ASP 260 H -0.27 0.53 -0.15 -0.55 8.40 7.97 2hc4A1 ASP 260 HA -0.36 -0.04 0.46 -0.75 4.63 3.94 2hc4A1 ASP 260 HB2 -0.48 0.21 0.24 -0.04 2.71 2.64 2hc4A1 ASP 260 HB3 -0.80 -0.07 0.06 -0.04 2.70 1.85 2hc4A1 LEU 261 H -0.66 0.52 -0.24 -0.55 8.37 7.45 2hc4A1 LEU 261 HA -1.08 0.00 0.36 -0.75 4.35 2.89 2hc4A1 LEU 261 HB2 -0.66 0.06 0.05 -0.04 1.64 1.05 2hc4A1 LEU 261 HB3 -0.47 0.08 0.15 -0.04 1.64 1.36 2hc4A1 LEU 261 HG -0.28 -0.01 -0.34 -0.04 1.64 0.97 2hc4A1 LEU 261 HD13 -0.46 -0.01 -0.01 -0.04 0.93 0.40 2hc4A1 LEU 261 HD23 -0.46 -0.00 -0.08 -0.04 0.89 0.31 2hc4A1 VAL 262 H -0.28 0.69 -0.11 -0.55 8.24 7.98 2hc4A1 VAL 262 HA -0.12 0.03 0.46 -0.75 4.13 3.74 2hc4A1 VAL 262 HB -0.07 0.11 0.16 -0.04 2.12 2.29 2hc4A1 VAL 262 HG13 0.08 -0.02 -0.14 -0.04 0.97 0.85 2hc4A1 VAL 262 HG23 -0.11 0.03 0.01 -0.04 0.95 0.84 2hc4A1 SER 263 H -0.21 0.68 -0.16 -0.55 8.46 8.22 2hc4A1 SER 263 HA -0.13 -0.04 0.34 -0.75 4.49 3.90 2hc4A1 SER 263 HB2 -0.13 0.10 0.13 -0.04 3.95 4.01 2hc4A1 SER 263 HB3 -0.19 0.13 0.14 -0.04 3.93 3.96 2hc4A1 TYR 264 H -0.21 0.69 -0.16 -0.55 8.29 8.06 2hc4A1 TYR 264 HA -0.08 -0.02 0.42 -0.75 4.56 4.12 2hc4A1 TYR 264 HB2 -0.22 0.01 0.09 -0.04 3.06 2.90 2hc4A1 TYR 264 HB3 -0.33 0.15 0.18 -0.04 2.98 2.95 2hc4A1 TYR 264 HD2 0.12 0.05 -0.10 -0.04 7.15 7.19 2hc4A1 TYR 264 HE2 0.14 -0.01 -0.05 -0.04 6.85 6.89 2hc4A1 SER 265 H 0.03 0.57 -0.23 -0.55 8.46 8.28 2hc4A1 SER 265 HA -0.03 0.00 0.34 -0.75 4.49 4.05 2hc4A1 SER 265 HB2 -0.03 0.09 0.17 -0.04 3.95 4.14 2hc4A1 SER 265 HB3 0.02 -0.07 -0.00 -0.04 3.93 3.83 2hc4A1 ILE 266 H -0.10 0.62 -0.19 -0.55 8.25 8.04 2hc4A1 ILE 266 HA -0.09 0.01 0.42 -0.75 4.18 3.76 2hc4A1 ILE 266 HB -0.14 0.10 0.10 -0.04 1.89 1.91 2hc4A1 ILE 266 HG12 -0.20 -0.05 -0.04 -0.04 1.49 1.15 2hc4A1 ILE 266 HG13 -0.14 0.33 0.03 -0.04 1.21 1.38 2hc4A1 ILE 266 HG23 -0.15 -0.02 -0.15 -0.04 0.93 0.57 2hc4A1 ILE 266 HD13 -0.43 -0.03 -0.13 -0.04 0.88 0.25 2hc4A1 GLN 267 H -0.12 0.52 -0.17 -0.55 8.47 8.15 2hc4A1 GLN 267 HA -0.08 -0.04 0.37 -0.75 4.36 3.86 2hc4A1 GLN 267 HB2 -0.19 0.30 0.20 -0.04 2.15 2.41 2hc4A1 GLN 267 HB3 -0.11 -0.07 0.03 -0.04 2.02 1.83 2hc4A1 GLN 267 HG2 -0.06 -0.08 0.05 -0.04 2.40 2.27 2hc4A1 GLN 267 HG3 -0.09 0.17 0.12 -0.04 2.39 2.56 2hc4A1 GLN 267 HE21 0.01 -0.04 -0.06 -0.04 6.97 6.84 2hc4A1 GLN 267 HE22 -0.05 0.13 -0.22 -0.04 7.69 7.51 2hc4A1 LYS 268 H -0.18 0.39 -0.33 -0.55 8.42 7.75 2hc4A1 LYS 268 HA -0.08 0.01 0.52 -0.75 4.32 4.01 2hc4A1 LYS 268 HB2 -0.09 0.15 0.18 -0.04 1.87 2.07 2hc4A1 LYS 268 HB3 -0.03 0.13 0.11 -0.04 1.79 1.96 2hc4A1 LYS 268 HG2 -0.64 0.13 -0.00 -0.04 1.46 0.91 2hc4A1 LYS 268 HG3 -0.28 -0.03 0.02 -0.04 1.46 1.13 2hc4A1 LYS 268 HD2 -0.11 0.06 0.08 -0.04 1.69 1.68 2hc4A1 LYS 268 HD3 -0.21 -0.06 -0.03 -0.04 1.68 1.34 2hc4A1 LYS 268 HE2 -1.00 -0.00 -0.05 -0.04 2.99 1.89 2hc4A1 LYS 268 HE3 -0.18 -0.08 -0.07 -0.04 2.99 2.63 2hc4A1 VAL 269 H -0.04 0.59 -0.01 -0.55 8.24 8.24 2hc4A1 VAL 269 HA 0.06 0.02 0.42 -0.75 4.13 3.87 2hc4A1 VAL 269 HB -0.03 0.10 0.20 -0.04 2.12 2.34 2hc4A1 VAL 269 HG13 0.00 -0.03 -0.12 -0.04 0.97 0.78 2hc4A1 VAL 269 HG23 -0.01 0.03 -0.06 -0.04 0.95 0.87 2hc4A1 ILE 270 H -0.03 0.60 -0.23 -0.55 8.25 8.04 2hc4A1 ILE 270 HA -0.03 -0.01 0.38 -0.75 4.18 3.77 2hc4A1 ILE 270 HB -0.03 0.23 0.15 -0.04 1.89 2.19 2hc4A1 ILE 270 HG12 -0.01 -0.06 -0.02 -0.04 1.49 1.36 2hc4A1 ILE 270 HG13 -0.05 0.15 0.00 -0.04 1.21 1.27 2hc4A1 ILE 270 HG23 0.01 -0.03 -0.14 -0.04 0.93 0.73 2hc4A1 ILE 270 HD13 -0.04 -0.03 -0.09 -0.04 0.88 0.68 2hc4A1 GLY 271 H -0.00 0.46 -0.14 -0.55 8.43 8.20 2hc4A1 GLY 271 HA2 0.01 -0.02 0.39 -0.51 4.01 3.87 2hc4A1 GLY 271 HA3 0.02 0.09 0.30 -0.51 4.01 3.91 2hc4A1 PHE 272 H 0.16 0.57 -0.22 -0.55 8.34 8.30 2hc4A1 PHE 272 HA -0.01 0.02 0.30 -0.75 4.62 4.18 2hc4A1 PHE 272 HB2 0.04 0.04 -0.02 -0.04 3.15 3.17 2hc4A1 PHE 272 HB3 -0.03 0.12 0.10 -0.04 3.06 3.22 2hc4A1 PHE 272 HD2 -0.01 0.02 -0.24 -0.04 7.28 7.01 2hc4A1 PHE 272 HE2 -0.05 0.02 -0.13 -0.04 7.38 7.18 2hc4A1 PHE 272 HZ -0.08 0.09 0.01 -0.04 7.32 7.30 2hc4A1 ALA 273 H -0.02 0.54 -0.26 -0.55 8.40 8.12 2hc4A1 ALA 273 HA -0.54 -0.02 0.36 -0.75 4.34 3.38 2hc4A1 ALA 273 HB3 -0.56 0.03 0.08 -0.04 1.41 0.92 2hc4A1 LYS 274 H -0.10 0.61 -0.15 -0.55 8.42 8.23 2hc4A1 LYS 274 HA 0.21 -0.06 0.34 -0.75 4.32 4.06 2hc4A1 LYS 274 HB2 0.00 0.16 0.05 -0.04 1.87 2.04 2hc4A1 LYS 274 HB3 0.05 -0.10 0.08 -0.04 1.79 1.78 2hc4A1 LYS 274 HG2 0.13 -0.10 0.01 -0.04 1.46 1.47 2hc4A1 LYS 274 HG3 0.05 0.24 0.10 -0.04 1.46 1.81 2hc4A1 LYS 274 HD2 0.04 -0.06 -0.09 -0.04 1.69 1.54 2hc4A1 LYS 274 HD3 0.02 0.04 -0.05 -0.04 1.68 1.65 2hc4A1 LYS 274 HE2 0.03 0.00 -0.01 -0.04 2.99 2.97 2hc4A1 LYS 274 HE3 0.04 -0.05 -0.01 -0.04 2.99 2.93 2hc4A1 MET 275 H -0.20 0.38 -0.82 -0.55 8.47 7.27 2hc4A1 MET 275 HA -0.06 0.09 0.81 -0.75 4.52 4.62 2hc4A1 MET 275 HB2 -0.16 0.16 0.07 -0.04 2.15 2.18 2hc4A1 MET 275 HB3 -0.09 -0.08 0.10 -0.04 2.03 1.92 2hc4A1 MET 275 HG2 -0.02 -0.06 -0.06 -0.04 2.63 2.44 2hc4A1 MET 275 HG3 -0.03 0.07 -0.16 -0.04 2.56 2.41 2hc4A1 MET 275 HE3 0.03 0.09 -0.08 -0.04 2.10 2.09 2hc4A1 ILE 276 H -0.28 0.53 -0.14 -0.55 8.25 7.81 2hc4A1 ILE 276 HA -0.25 0.07 0.53 -0.75 4.18 3.77 2hc4A1 ILE 276 HB -0.23 0.08 0.17 -0.04 1.89 1.87 2hc4A1 ILE 276 HG12 -0.56 -0.04 0.01 -0.04 1.49 0.85 2hc4A1 ILE 276 HG13 -0.77 0.19 0.04 -0.04 1.21 0.63 2hc4A1 ILE 276 HG23 -0.06 -0.03 -0.19 -0.04 0.93 0.61 2hc4A1 ILE 276 HD13 -0.23 -0.01 -0.02 -0.04 0.88 0.58 2hc4A1 PRO 277 HA -0.00 -0.01 0.42 -0.51 4.44 4.34 2hc4A1 PRO 277 HB2 -0.00 -0.02 0.03 -0.04 2.28 2.25 2hc4A1 PRO 277 HB3 -0.01 0.04 0.11 -0.04 2.02 2.12 2hc4A1 PRO 277 HG2 -0.01 0.00 0.14 -0.04 2.03 2.12 2hc4A1 PRO 277 HG3 -0.02 -0.01 0.14 -0.04 2.03 2.10 2hc4A1 PRO 277 HD2 -0.09 0.06 0.25 -0.04 3.68 3.86 2hc4A1 PRO 277 HD3 -0.07 0.24 0.26 -0.04 3.65 4.05 2hc4A1 GLY 278 H 0.02 0.14 0.17 -0.55 8.43 8.22 2hc4A1 GLY 278 HA2 0.01 -0.03 0.34 -0.51 4.01 3.82 2hc4A1 GLY 278 HA3 0.02 0.21 0.75 -0.51 4.01 4.48 2hc4A1 PHE 279 H 0.15 0.54 -0.26 -0.55 8.34 8.22 2hc4A1 PHE 279 HA -0.03 0.03 0.39 -0.75 4.62 4.26 2hc4A1 PHE 279 HB2 -0.05 -0.01 -0.01 -0.04 3.15 3.04 2hc4A1 PHE 279 HB3 -0.07 0.24 0.13 -0.04 3.06 3.32 2hc4A1 PHE 279 HD2 -0.03 0.01 -0.18 -0.04 7.28 7.03 2hc4A1 PHE 279 HE2 -0.02 0.02 -0.11 -0.04 7.38 7.23 2hc4A1 PHE 279 HZ -0.01 0.02 -0.06 -0.04 7.32 7.23 2hc4A1 ARG 280 H 0.12 0.21 -0.03 -0.55 8.46 8.20 2hc4A1 ARG 280 HA -0.15 0.11 0.36 -0.75 4.34 3.90 2hc4A1 ARG 280 HB2 0.09 0.18 0.14 -0.04 1.90 2.27 2hc4A1 ARG 280 HB3 0.01 -0.05 -0.01 -0.04 1.80 1.71 2hc4A1 ARG 280 HG2 -0.01 -0.04 0.07 -0.04 1.67 1.65 2hc4A1 ARG 280 HG3 0.02 -0.01 0.09 -0.04 1.67 1.73 2hc4A1 ARG 280 HD2 0.06 0.13 0.09 -0.04 3.22 3.47 2hc4A1 ARG 280 HD3 0.02 -0.02 0.03 -0.04 3.22 3.22 2hc4A1 ASP 281 H -0.06 0.11 -0.74 -0.55 8.40 7.16 2hc4A1 ASP 281 HA -0.06 0.10 0.55 -0.75 4.63 4.47 2hc4A1 ASP 281 HB2 -0.04 0.16 0.02 -0.04 2.71 2.81 2hc4A1 ASP 281 HB3 -0.04 -0.06 0.03 -0.04 2.70 2.59 2hc4A1 LEU 282 H -0.20 0.41 -0.24 -0.55 8.37 7.80 2hc4A1 LEU 282 HA -0.10 -0.07 0.44 -0.75 4.35 3.86 2hc4A1 LEU 282 HB2 -0.39 0.19 0.03 -0.04 1.64 1.42 2hc4A1 LEU 282 HB3 -0.17 -0.20 0.07 -0.04 1.64 1.30 2hc4A1 LEU 282 HG -0.15 0.18 0.14 -0.04 1.64 1.77 2hc4A1 LEU 282 HD13 -0.14 -0.00 -0.05 -0.04 0.93 0.69 2hc4A1 LEU 282 HD23 -0.06 -0.04 -0.04 -0.04 0.89 0.71 2hc4A1 THR 283 H -0.09 -0.02 0.19 -0.55 8.28 7.82 2hc4A1 THR 283 HA -0.07 0.21 0.50 -0.75 4.39 4.27 2hc4A1 THR 283 HB -0.05 0.00 0.17 -0.04 4.32 4.41 2hc4A1 THR 283 HG23 -0.04 0.04 0.13 -0.04 1.22 1.30 2hc4A1 ALA 284 H -0.06 0.20 0.19 -0.55 8.40 8.19 2hc4A1 ALA 284 HA -0.08 0.16 0.37 -0.75 4.34 4.04 2hc4A1 ALA 284 HB3 -0.03 0.03 0.11 -0.04 1.41 1.48 2hc4A1 GLU 285 H -0.04 0.03 -0.27 -0.55 8.60 7.77 2hc4A1 GLU 285 HA -0.02 0.14 0.40 -0.75 4.29 4.06 2hc4A1 GLU 285 HB2 -0.03 -0.10 0.08 -0.04 2.09 2.00 2hc4A1 GLU 285 HB3 -0.01 0.11 0.01 -0.04 1.99 2.06 2hc4A1 GLU 285 HG2 -0.01 0.04 0.04 -0.04 2.34 2.36 2hc4A1 GLU 285 HG3 -0.01 0.08 0.03 -0.04 2.34 2.40 2hc4A1 ASP 286 H -0.06 0.08 -0.18 -0.55 8.40 7.70 2hc4A1 ASP 286 HA -0.01 0.13 0.51 -0.75 4.63 4.50 2hc4A1 ASP 286 HB2 -0.08 0.00 0.15 -0.04 2.71 2.74 2hc4A1 ASP 286 HB3 -0.05 0.10 -0.01 -0.04 2.70 2.70 2hc4A1 GLN 287 H -0.13 0.44 -0.27 -0.55 8.47 7.97 2hc4A1 GLN 287 HA -0.20 0.07 0.38 -0.75 4.36 3.86 2hc4A1 GLN 287 HB2 -0.11 0.07 0.11 -0.04 2.15 2.18 2hc4A1 GLN 287 HB3 -0.06 -0.01 -0.06 -0.04 2.02 1.86 2hc4A1 GLN 287 HG2 -1.21 0.04 -0.10 -0.04 2.40 1.09 2hc4A1 GLN 287 HG3 -0.37 0.11 -0.26 -0.04 2.39 1.83 2hc4A1 GLN 287 HE21 -0.13 -0.03 -0.04 -0.04 6.97 6.72 2hc4A1 GLN 287 HE22 -0.23 0.43 -0.29 -0.04 7.69 7.56 2hc4A1 ILE 288 H -0.01 0.53 -0.12 -0.55 8.25 8.09 2hc4A1 ILE 288 HA 0.04 0.02 0.41 -0.75 4.18 3.89 2hc4A1 ILE 288 HB -0.00 0.08 0.17 -0.04 1.89 2.10 2hc4A1 ILE 288 HG12 0.01 -0.03 0.02 -0.04 1.49 1.45 2hc4A1 ILE 288 HG13 -0.00 0.13 0.11 -0.04 1.21 1.41 2hc4A1 ILE 288 HG23 0.00 -0.00 -0.09 -0.04 0.93 0.80 2hc4A1 ILE 288 HD13 -0.01 -0.03 -0.04 -0.04 0.88 0.77 2hc4A1 ALA 289 H 0.01 0.39 -0.22 -0.55 8.40 8.04 2hc4A1 ALA 289 HA 0.02 0.05 0.31 -0.75 4.34 3.97 2hc4A1 ALA 289 HB3 0.02 0.01 -0.07 -0.04 1.41 1.33 2hc4A1 LEU 290 H 0.06 0.50 -0.28 -0.55 8.37 8.12 2hc4A1 LEU 290 HA 0.06 0.05 0.47 -0.75 4.35 4.18 2hc4A1 LEU 290 HB2 0.24 0.04 0.18 -0.04 1.64 2.06 2hc4A1 LEU 290 HB3 0.17 0.15 0.06 -0.04 1.64 1.98 2hc4A1 LEU 290 HG 0.07 0.02 0.04 -0.04 1.64 1.72 2hc4A1 LEU 290 HD13 0.13 -0.04 -0.07 -0.04 0.93 0.91 2hc4A1 LEU 290 HD23 0.07 0.01 -0.07 -0.04 0.89 0.86 2hc4A1 LEU 291 H 0.12 0.64 -0.04 -0.55 8.37 8.54 2hc4A1 LEU 291 HA 0.03 -0.02 0.38 -0.75 4.35 3.98 2hc4A1 LEU 291 HB2 0.06 0.10 0.20 -0.04 1.64 1.96 2hc4A1 LEU 291 HB3 -0.01 -0.03 -0.05 -0.04 1.64 1.51 2hc4A1 LEU 291 HG 0.04 -0.05 -0.04 -0.04 1.64 1.55 2hc4A1 LEU 291 HD13 -0.03 -0.01 -0.07 -0.04 0.93 0.77 2hc4A1 LEU 291 HD23 0.28 -0.02 -0.07 -0.04 0.89 1.04 2hc4A1 LYS 292 H 0.02 0.74 -0.00 -0.55 8.42 8.62 2hc4A1 LYS 292 HA -0.04 -0.02 0.41 -0.75 4.32 3.92 2hc4A1 LYS 292 HB2 0.01 0.03 0.12 -0.04 1.87 2.00 2hc4A1 LYS 292 HB3 0.01 0.09 0.04 -0.04 1.79 1.89 2hc4A1 LYS 292 HG2 -0.05 -0.06 0.13 -0.04 1.46 1.45 2hc4A1 LYS 292 HG3 -0.01 0.02 0.10 -0.04 1.46 1.53 2hc4A1 LYS 292 HD2 -0.01 -0.10 -0.03 -0.04 1.69 1.51 2hc4A1 LYS 292 HD3 0.01 -0.10 -0.07 -0.04 1.68 1.47 2hc4A1 LYS 292 HE2 0.02 -0.00 -0.03 -0.04 2.99 2.93 2hc4A1 LYS 292 HE3 -0.01 0.12 0.08 -0.04 2.99 3.14 2hc4A1 SER 293 H 0.03 0.42 -0.26 -0.55 8.46 8.11 2hc4A1 SER 293 HA 0.04 0.12 0.71 -0.75 4.49 4.61 2hc4A1 SER 293 HB2 0.02 -0.10 0.12 -0.04 3.95 3.95 2hc4A1 SER 293 HB3 0.03 0.00 0.11 -0.04 3.93 4.02 2hc4A1 SER 294 H 0.02 0.46 -0.10 -0.55 8.46 8.29 2hc4A1 SER 294 HA -0.00 0.15 0.99 -0.75 4.49 4.87 2hc4A1 SER 294 HB2 -0.00 -0.13 -0.04 -0.04 3.95 3.75 2hc4A1 SER 294 HB3 0.02 0.09 0.04 -0.04 3.93 4.04 2hc4A1 ALA 295 H 0.01 0.78 0.10 -0.55 8.40 8.75 2hc4A1 ALA 295 HA -0.02 -0.03 0.33 -0.75 4.34 3.87 2hc4A1 ALA 295 HB3 -0.06 0.04 0.04 -0.04 1.41 1.39 2hc4A1 ILE 296 H 0.12 0.27 -0.31 -0.55 8.25 7.78 2hc4A1 ILE 296 HA -0.03 0.02 0.34 -0.75 4.18 3.76 2hc4A1 ILE 296 HB -0.00 0.10 0.03 -0.04 1.89 1.98 2hc4A1 ILE 296 HG12 -0.72 -0.00 -0.01 -0.04 1.49 0.71 2hc4A1 ILE 296 HG13 -1.12 0.03 -0.04 -0.04 1.21 0.04 2hc4A1 ILE 296 HG23 -0.12 0.01 -0.15 -0.04 0.93 0.63 2hc4A1 ILE 296 HD13 -0.50 -0.02 -0.04 -0.04 0.88 0.27 2hc4A1 GLU 297 H -0.05 0.36 -0.23 -0.55 8.60 8.14 2hc4A1 GLU 297 HA -0.12 0.01 0.50 -0.75 4.29 3.91 2hc4A1 GLU 297 HB2 -0.05 0.17 0.13 -0.04 2.09 2.31 2hc4A1 GLU 297 HB3 -0.08 -0.07 0.02 -0.04 1.99 1.82 2hc4A1 GLU 297 HG2 -0.12 -0.00 -0.01 -0.04 2.34 2.17 2hc4A1 GLU 297 HG3 -0.07 -0.02 0.04 -0.04 2.34 2.24 2hc4A1 ILE 298 H -0.03 0.64 -0.07 -0.55 8.25 8.24 2hc4A1 ILE 298 HA -0.04 0.01 0.35 -0.75 4.18 3.74 2hc4A1 ILE 298 HB -0.02 0.10 0.01 -0.04 1.89 1.94 2hc4A1 ILE 298 HG12 -0.01 0.19 -0.25 -0.04 1.49 1.38 2hc4A1 ILE 298 HG13 -0.00 -0.01 -0.13 -0.04 1.21 1.03 2hc4A1 ILE 298 HG23 -0.06 -0.02 -0.05 -0.04 0.93 0.76 2hc4A1 ILE 298 HD13 -0.01 -0.01 -0.10 -0.04 0.88 0.71 2hc4A1 ILE 299 H -0.03 0.51 -0.36 -0.55 8.25 7.82 2hc4A1 ILE 299 HA 0.03 0.03 0.43 -0.75 4.18 3.92 2hc4A1 ILE 299 HB -0.05 0.16 0.12 -0.04 1.89 2.07 2hc4A1 ILE 299 HG12 -0.00 -0.05 -0.08 -0.04 1.49 1.31 2hc4A1 ILE 299 HG13 -0.02 0.12 -0.05 -0.04 1.21 1.21 2hc4A1 ILE 299 HG23 -0.08 -0.02 -0.19 -0.04 0.93 0.60 2hc4A1 ILE 299 HD13 -0.02 -0.03 -0.12 -0.04 0.88 0.67 2hc4A1 MET 300 H -0.05 0.44 -0.15 -0.55 8.47 8.16 2hc4A1 MET 300 HA 0.06 0.00 0.34 -0.75 4.52 4.17 2hc4A1 MET 300 HB2 -0.11 0.11 0.09 -0.04 2.15 2.20 2hc4A1 MET 300 HB3 -0.02 -0.07 0.00 -0.04 2.03 1.90 2hc4A1 MET 300 HG2 -0.12 -0.09 -0.01 -0.04 2.63 2.37 2hc4A1 MET 300 HG3 -0.14 0.49 0.17 -0.04 2.56 3.04 2hc4A1 MET 300 HE3 -0.19 -0.02 -0.09 -0.04 2.10 1.76 2hc4A1 LEU 301 H 0.04 0.46 -0.36 -0.55 8.37 7.96 2hc4A1 LEU 301 HA 0.23 0.03 0.40 -0.75 4.35 4.25 2hc4A1 LEU 301 HB2 -0.02 0.12 0.15 -0.04 1.64 1.84 2hc4A1 LEU 301 HB3 -0.11 -0.03 -0.11 -0.04 1.64 1.35 2hc4A1 LEU 301 HG 0.06 0.05 -0.05 -0.04 1.64 1.66 2hc4A1 LEU 301 HD13 -0.05 -0.02 -0.16 -0.04 0.93 0.65 2hc4A1 LEU 301 HD23 0.14 -0.02 -0.07 -0.04 0.89 0.89 2hc4A1 ARG 302 H 0.08 0.63 -0.05 -0.55 8.46 8.56 2hc4A1 ARG 302 HA 0.26 0.03 0.41 -0.75 4.34 4.29 2hc4A1 ARG 302 HB2 0.45 -0.04 -0.00 -0.04 1.90 2.26 2hc4A1 ARG 302 HB3 0.11 -0.02 0.06 -0.04 1.80 1.90 2hc4A1 ARG 302 HG2 0.06 0.48 0.16 -0.04 1.67 2.32 2hc4A1 ARG 302 HG3 0.16 0.17 0.14 -0.04 1.67 2.10 2hc4A1 ARG 302 HD2 0.08 -0.05 -0.08 -0.04 3.22 3.13 2hc4A1 ARG 302 HD3 0.21 -0.04 -0.07 -0.04 3.22 3.28 2hc4A1 SER 303 H 0.24 0.43 -0.47 -0.55 8.46 8.12 2hc4A1 SER 303 HA 0.42 0.04 0.37 -0.75 4.49 4.56 2hc4A1 SER 303 HB2 0.20 -0.11 0.01 -0.04 3.95 4.01 2hc4A1 SER 303 HB3 0.13 0.19 0.06 -0.04 3.93 4.26 2hc4A1 ASN 304 H 0.32 0.43 -0.53 -0.55 8.53 8.19 2hc4A1 ASN 304 HA 0.26 -0.03 0.37 -0.75 4.76 4.60 2hc4A1 ASN 304 HB2 0.17 0.07 0.11 -0.04 2.88 3.19 2hc4A1 ASN 304 HB3 0.21 0.11 0.02 -0.04 2.79 3.08 2hc4A1 ASN 304 HD21 0.01 -0.05 -0.16 -0.04 7.03 6.79 2hc4A1 ASN 304 HD22 0.05 0.01 -0.21 -0.04 7.74 7.55 2hc4A1 GLN 305 H 0.23 0.38 -0.49 -0.55 8.47 8.03 2hc4A1 GLN 305 HA 0.02 0.03 0.39 -0.75 4.36 4.04 2hc4A1 GLN 305 HB2 -0.13 0.07 0.09 -0.04 2.15 2.15 2hc4A1 GLN 305 HB3 0.13 0.04 -0.05 -0.04 2.02 2.10 2hc4A1 GLN 305 HG2 -0.14 -0.02 -0.02 -0.04 2.40 2.19 2hc4A1 GLN 305 HG3 -0.12 -0.02 0.08 -0.04 2.39 2.28 2hc4A1 GLN 305 HE21 -0.28 -0.06 -0.03 -0.04 6.97 6.55 2hc4A1 GLN 305 HE22 -0.34 0.00 -0.03 -0.04 7.69 7.28 2hc4A1 SER 306 H 0.41 0.46 -0.37 -0.55 8.46 8.42 2hc4A1 SER 306 HA 0.29 0.21 0.86 -0.75 4.49 5.09 2hc4A1 SER 306 HB2 0.13 0.02 -0.06 -0.04 3.95 3.99 2hc4A1 SER 306 HB3 0.38 -0.03 -0.06 -0.04 3.93 4.19 2hc4A1 PHE 307 H 0.33 0.20 -0.19 -0.55 8.34 8.13 2hc4A1 PHE 307 HA -0.27 0.12 0.60 -0.75 4.62 4.32 2hc4A1 PHE 307 HB2 -0.28 -0.01 -0.00 -0.04 3.15 2.81 2hc4A1 PHE 307 HB3 -0.12 0.11 0.05 -0.04 3.06 3.06 2hc4A1 PHE 307 HD2 -1.21 -0.00 -0.34 -0.04 7.28 5.68 2hc4A1 PHE 307 HE2 -0.60 -0.01 -0.29 -0.04 7.38 6.44 2hc4A1 PHE 307 HZ -0.27 -0.01 -0.12 -0.04 7.32 6.89 2hc4A1 SER 308 H -1.24 0.50 0.29 -0.55 8.46 7.46 2hc4A1 SER 308 HA -0.19 0.21 0.96 -0.75 4.49 4.72 2hc4A1 SER 308 HB2 -0.16 0.20 -0.06 -0.04 3.95 3.89 2hc4A1 SER 308 HB3 -0.31 -0.04 0.13 -0.04 3.93 3.66 2hc4A1 LEU 309 H -0.10 0.26 0.12 -0.55 8.37 8.10 2hc4A1 LEU 309 HA -0.06 0.10 0.42 -0.75 4.35 4.05 2hc4A1 LEU 309 HB2 -0.03 -0.01 0.10 -0.04 1.64 1.66 2hc4A1 LEU 309 HB3 -0.01 0.03 0.03 -0.04 1.64 1.65 2hc4A1 LEU 309 HG 0.07 0.03 0.02 -0.04 1.64 1.72 2hc4A1 LEU 309 HD13 0.02 0.01 -0.03 -0.04 0.93 0.89 2hc4A1 LEU 309 HD23 0.15 0.02 0.02 -0.04 0.89 1.05 2hc4A1 GLU 310 H -0.11 0.06 -0.17 -0.55 8.60 7.83 2hc4A1 GLU 310 HA -0.06 0.09 0.39 -0.75 4.29 3.96 2hc4A1 GLU 310 HB2 -0.09 -0.07 0.09 -0.04 2.09 1.98 2hc4A1 GLU 310 HB3 -0.06 0.05 -0.02 -0.04 1.99 1.92 2hc4A1 GLU 310 HG2 -0.04 0.03 0.03 -0.04 2.34 2.32 2hc4A1 GLU 310 HG3 -0.05 -0.05 0.06 -0.04 2.34 2.25 2hc4A1 ASP 311 H -0.17 0.06 -0.15 -0.55 8.40 7.60 2hc4A1 ASP 311 HA -0.08 0.24 0.79 -0.75 4.63 4.82 2hc4A1 ASP 311 HB2 -0.08 0.01 0.06 -0.04 2.71 2.66 2hc4A1 ASP 311 HB3 -0.07 -0.00 -0.03 -0.04 2.70 2.56 2hc4A1 MET 312 H -0.27 0.22 -0.41 -0.55 8.47 7.46 2hc4A1 MET 312 HA -0.40 0.06 0.31 -0.75 4.52 3.74 2hc4A1 MET 312 HB2 -0.05 0.09 -0.14 -0.04 2.15 2.01 2hc4A1 MET 312 HB3 0.02 -0.10 0.20 -0.04 2.03 2.11 2hc4A1 MET 312 HG2 -0.05 0.14 -0.17 -0.04 2.63 2.51 2hc4A1 MET 312 HG3 0.00 -0.07 -0.04 -0.04 2.56 2.41 2hc4A1 MET 312 HE3 0.06 -0.02 -0.02 -0.04 2.10 2.07 2hc4A1 SER 313 H -0.70 0.19 -0.06 -0.55 8.46 7.35 2hc4A1 SER 313 HA -0.16 0.15 0.78 -0.75 4.49 4.50 2hc4A1 SER 313 HB2 0.11 0.19 -0.17 -0.04 3.95 4.05 2hc4A1 SER 313 HB3 -0.04 0.08 -0.35 -0.04 3.93 3.57 2hc4A1 TRP 314 H 0.58 0.53 0.23 -0.55 7.97 8.75 2hc4A1 TRP 314 HA 0.13 0.23 0.53 -0.75 4.62 4.75 2hc4A1 TRP 314 HB2 0.38 -0.09 0.18 -0.04 3.23 3.66 2hc4A1 TRP 314 HB3 0.27 0.07 -0.08 -0.04 3.23 3.45 2hc4A1 TRP 314 HD1 0.28 0.23 -0.11 -0.04 7.22 7.58 2hc4A1 TRP 314 HE1 0.16 0.02 -0.23 -0.04 10.20 10.11 2hc4A1 TRP 314 HE3 0.28 0.22 -0.01 -0.04 7.59 8.04 2hc4A1 TRP 314 HZ2 0.03 0.02 -0.16 -0.04 7.44 7.28 2hc4A1 TRP 314 HZ3 0.18 -0.08 -0.20 -0.04 7.13 6.99 2hc4A1 TRP 314 HH2 0.09 -0.07 -0.13 -0.04 7.19 7.04 2hc4A1 SER 315 H 0.07 0.79 0.21 -0.55 8.46 8.99 2hc4A1 SER 315 HA -0.03 0.04 0.98 -0.75 4.49 4.72 2hc4A1 SER 315 HB2 0.01 0.07 0.16 -0.04 3.95 4.15 2hc4A1 SER 315 HB3 -0.02 0.02 0.01 -0.04 3.93 3.89 2hc4A1 CYS 316 H -0.12 0.60 0.25 -0.55 8.50 8.68 2hc4A1 CYS 316 HA -0.37 0.24 0.97 -0.75 4.58 4.66 2hc4A1 CYS 316 HB2 -0.12 0.07 0.07 -0.04 2.97 2.95 2hc4A1 CYS 316 HB3 -1.19 -0.07 0.09 -0.04 2.97 1.76 2hc4A1 GLY 317 H -0.00 0.20 -0.06 -0.55 8.43 8.01 2hc4A1 GLY 317 HA2 0.10 0.17 0.44 -0.51 4.01 4.20 2hc4A1 GLY 317 HA3 0.24 -0.07 0.31 -0.51 4.01 3.98 2hc4A1 GLY 318 H -0.11 0.11 0.07 -0.55 8.43 7.95 2hc4A1 GLY 318 HA2 -0.06 0.13 0.31 -0.51 4.01 3.88 2hc4A1 GLY 318 HA3 -0.11 0.03 0.41 -0.51 4.01 3.83 2hc4A1 PRO 319 HA -0.07 0.15 0.49 -0.51 4.44 4.50 2hc4A1 PRO 319 HB2 -0.08 0.03 0.01 -0.04 2.28 2.19 2hc4A1 PRO 319 HB3 -0.05 0.05 0.09 -0.04 2.02 2.06 2hc4A1 PRO 319 HG2 -0.06 0.05 0.07 -0.04 2.03 2.05 2hc4A1 PRO 319 HG3 -0.06 0.06 0.04 -0.04 2.03 2.04 2hc4A1 PRO 319 HD2 -0.12 0.08 0.20 -0.04 3.68 3.80 2hc4A1 PRO 319 HD3 -0.08 0.11 0.21 -0.04 3.65 3.84 2hc4A1 ASP 320 H -0.23 0.03 -0.22 -0.55 8.40 7.43 2hc4A1 ASP 320 HA -0.15 0.11 0.37 -0.75 4.63 4.20 2hc4A1 ASP 320 HB2 -0.78 -0.10 0.03 -0.04 2.71 1.81 2hc4A1 ASP 320 HB3 -0.50 0.11 -0.05 -0.04 2.70 2.21 2hc4A1 PHE 321 H -0.31 -0.02 -0.37 -0.55 8.34 7.09 2hc4A1 PHE 321 HA -0.28 0.26 0.60 -0.75 4.62 4.44 2hc4A1 PHE 321 HB2 -0.09 -0.07 -0.21 -0.04 3.15 2.73 2hc4A1 PHE 321 HB3 0.06 0.04 -0.01 -0.04 3.06 3.10 2hc4A1 PHE 321 HD2 0.08 0.10 -0.22 -0.04 7.28 7.19 2hc4A1 PHE 321 HE2 0.07 0.05 -0.12 -0.04 7.38 7.33 2hc4A1 PHE 321 HZ 0.08 0.08 -0.28 -0.04 7.32 7.16 2hc4A1 LYS 322 H -0.20 0.36 -0.70 -0.55 8.42 7.33 2hc4A1 LYS 322 HA -0.19 0.18 0.98 -0.75 4.32 4.54 2hc4A1 LYS 322 HB2 -0.08 0.11 0.01 -0.04 1.87 1.87 2hc4A1 LYS 322 HB3 -0.08 0.07 0.09 -0.04 1.79 1.83 2hc4A1 LYS 322 HG2 0.00 -0.06 -0.40 -0.04 1.46 0.96 2hc4A1 LYS 322 HG3 -0.03 -0.01 -0.18 -0.04 1.46 1.20 2hc4A1 LYS 322 HD2 -0.04 0.01 -0.07 -0.04 1.69 1.54 2hc4A1 LYS 322 HD3 -0.03 -0.00 -0.04 -0.04 1.68 1.57 2hc4A1 LYS 322 HE2 -0.02 -0.03 -0.07 -0.04 2.99 2.83 2hc4A1 LYS 322 HE3 -0.00 -0.04 -0.15 -0.04 2.99 2.76 2hc4A1 TYR 323 H 0.07 0.78 0.26 -0.55 8.29 8.84 2hc4A1 TYR 323 HA 0.18 0.12 0.94 -0.75 4.56 5.04 2hc4A1 TYR 323 HB2 0.37 -0.05 0.11 -0.04 3.06 3.44 2hc4A1 TYR 323 HB3 0.16 -0.02 -0.03 -0.04 2.98 3.05 2hc4A1 TYR 323 HD2 0.18 -0.01 -0.11 -0.04 7.15 7.16 2hc4A1 TYR 323 HE2 0.30 0.03 -0.10 -0.04 6.85 7.03 2hc4A1 CYS 324 H 0.26 0.12 0.20 -0.55 8.50 8.53 2hc4A1 CYS 324 HA 0.25 0.32 0.85 -0.75 4.58 5.25 2hc4A1 CYS 324 HB2 0.13 -0.17 0.08 -0.04 2.97 2.97 2hc4A1 CYS 324 HB3 0.12 -0.02 0.16 -0.04 2.97 3.18 2hc4A1 ILE 325 H 0.20 0.30 0.19 -0.55 8.25 8.39 2hc4A1 ILE 325 HA 0.28 0.10 0.35 -0.75 4.18 4.15 2hc4A1 ILE 325 HB 0.12 -0.03 0.12 -0.04 1.89 2.06 2hc4A1 ILE 325 HG12 0.23 0.03 0.06 -0.04 1.49 1.77 2hc4A1 ILE 325 HG13 0.17 0.10 0.16 -0.04 1.21 1.60 2hc4A1 ILE 325 HG23 0.12 -0.01 -0.14 -0.04 0.93 0.86 2hc4A1 ILE 325 HD13 0.10 0.00 -0.00 -0.04 0.88 0.94 2hc4A1 ASN 326 H 0.12 0.11 -0.17 -0.55 8.53 8.05 2hc4A1 ASN 326 HA 0.08 0.06 0.35 -0.75 4.76 4.50 2hc4A1 ASN 326 HB2 0.07 0.03 0.09 -0.04 2.88 3.02 2hc4A1 ASN 326 HB3 0.08 -0.03 0.06 -0.04 2.79 2.86 2hc4A1 ASN 326 HD21 0.05 0.05 -0.09 -0.04 7.03 7.00 2hc4A1 ASN 326 HD22 0.06 -0.02 -0.10 -0.04 7.74 7.64 2hc4A1 ASP 327 H 0.14 0.09 -0.23 -0.55 8.40 7.85 2hc4A1 ASP 327 HA 0.09 0.06 0.38 -0.75 4.63 4.41 2hc4A1 ASP 327 HB2 0.22 0.10 0.12 -0.04 2.71 3.10 2hc4A1 ASP 327 HB3 0.18 0.06 0.01 -0.04 2.70 2.90 2hc4A1 VAL 328 H 0.13 0.40 -0.24 -0.55 8.24 7.98 2hc4A1 VAL 328 HA 0.04 0.08 0.34 -0.75 4.13 3.83 2hc4A1 VAL 328 HB 0.10 0.09 0.02 -0.04 2.12 2.30 2hc4A1 VAL 328 HG13 0.04 -0.02 -0.07 -0.04 0.97 0.88 2hc4A1 VAL 328 HG23 0.02 0.04 -0.06 -0.04 0.95 0.91 2hc4A1 THR 329 H 0.08 0.39 -0.31 -0.55 8.28 7.90 2hc4A1 THR 329 HA 0.06 0.29 0.55 -0.75 4.39 4.54 2hc4A1 THR 329 HB 0.06 0.41 0.26 -0.04 4.32 5.01 2hc4A1 THR 329 HG23 0.03 -0.02 -0.06 -0.04 1.22 1.12 2hc4A1 LYS 330 H 0.04 0.41 -0.33 -0.55 8.42 7.99 2hc4A1 LYS 330 HA -0.01 0.06 0.57 -0.75 4.32 4.19 2hc4A1 LYS 330 HB2 0.03 0.24 0.16 -0.04 1.87 2.26 2hc4A1 LYS 330 HB3 0.01 -0.25 0.23 -0.04 1.79 1.74 2hc4A1 LYS 330 HG2 0.02 -0.03 0.02 -0.04 1.46 1.42 2hc4A1 LYS 330 HG3 0.03 0.09 0.04 -0.04 1.46 1.59 2hc4A1 LYS 330 HD2 0.04 0.00 0.07 -0.04 1.69 1.76 2hc4A1 LYS 330 HD3 0.02 0.03 0.08 -0.04 1.68 1.77 2hc4A1 LYS 330 HE2 0.02 -0.01 0.03 -0.04 2.99 2.99 2hc4A1 LYS 330 HE3 0.04 -0.06 -0.04 -0.04 2.99 2.89 2hc4A1 ALA 331 H -0.00 0.43 -0.79 -0.55 8.40 7.49 2hc4A1 ALA 331 HA -0.06 0.11 0.77 -0.75 4.34 4.40 2hc4A1 ALA 331 HB3 0.02 0.04 -0.03 -0.04 1.41 1.39 2hc4A1 GLY 332 H -0.09 0.29 -0.06 -0.55 8.43 8.03 2hc4A1 GLY 332 HA2 -0.17 -0.01 0.29 -0.51 4.01 3.61 2hc4A1 GLY 332 HA3 -0.30 0.18 0.74 -0.51 4.01 4.12 2hc4A1 HIS 333 H -0.01 0.22 0.13 -0.55 8.41 8.20 2hc4A1 HIS 333 HA -0.03 0.19 0.99 -0.75 4.63 5.02 2hc4A1 HIS 333 HB2 -0.00 0.09 -0.06 -0.04 3.26 3.24 2hc4A1 HIS 333 HB3 0.00 -0.08 -0.01 -0.04 3.20 3.06 2hc4A1 HIS 333 HD2 -0.01 0.01 -0.16 -0.04 6.97 6.76 2hc4A1 HIS 333 HE1 -0.25 0.05 -0.12 -0.04 7.75 7.38 2hc4A1 THR 334 H 0.12 0.13 0.17 -0.55 8.28 8.14 2hc4A1 THR 334 HA 0.05 0.31 0.92 -0.75 4.39 4.91 2hc4A1 THR 334 HB 0.03 -0.09 0.19 -0.04 4.32 4.41 2hc4A1 THR 334 HG23 0.02 0.06 -0.06 -0.04 1.22 1.20 2hc4A1 LEU 335 H 0.04 0.26 0.18 -0.55 8.37 8.30 2hc4A1 LEU 335 HA 0.06 0.05 0.44 -0.75 4.35 4.14 2hc4A1 LEU 335 HB2 0.03 0.03 0.11 -0.04 1.64 1.77 2hc4A1 LEU 335 HB3 0.04 0.05 0.03 -0.04 1.64 1.71 2hc4A1 LEU 335 HG 0.04 0.07 0.03 -0.04 1.64 1.74 2hc4A1 LEU 335 HD13 0.06 0.00 -0.01 -0.04 0.93 0.94 2hc4A1 LEU 335 HD23 0.04 0.00 0.06 -0.04 0.89 0.96 2hc4A1 GLU 336 H 0.03 0.05 -0.24 -0.55 8.60 7.90 2hc4A1 GLU 336 HA 0.02 0.09 0.33 -0.75 4.29 3.98 2hc4A1 GLU 336 HB2 0.02 -0.01 0.09 -0.04 2.09 2.14 2hc4A1 GLU 336 HB3 0.03 -0.03 -0.02 -0.04 1.99 1.93 2hc4A1 GLU 336 HG2 0.01 0.03 -0.00 -0.04 2.34 2.34 2hc4A1 GLU 336 HG3 0.01 0.05 -0.08 -0.04 2.34 2.28 2hc4A1 LEU 337 H 0.04 0.24 -0.58 -0.55 8.37 7.53 2hc4A1 LEU 337 HA 0.00 0.22 0.87 -0.75 4.35 4.68 2hc4A1 LEU 337 HB2 -0.01 0.01 -0.08 -0.04 1.64 1.52 2hc4A1 LEU 337 HB3 0.01 0.01 0.10 -0.04 1.64 1.72 2hc4A1 LEU 337 HG -0.06 -0.03 -0.38 -0.04 1.64 1.14 2hc4A1 LEU 337 HD13 -0.05 -0.00 -0.00 -0.04 0.93 0.83 2hc4A1 LEU 337 HD23 -0.30 0.01 -0.07 -0.04 0.89 0.49 2hc4A1 LEU 338 H 0.05 0.43 0.14 -0.55 8.37 8.44 2hc4A1 LEU 338 HA 0.10 0.04 0.35 -0.75 4.35 4.08 2hc4A1 LEU 338 HB2 0.09 -0.06 0.01 -0.04 1.64 1.64 2hc4A1 LEU 338 HB3 0.14 -0.03 0.02 -0.04 1.64 1.73 2hc4A1 LEU 338 HG 0.08 0.18 -0.06 -0.04 1.64 1.79 2hc4A1 LEU 338 HD13 0.11 0.01 -0.23 -0.04 0.93 0.78 2hc4A1 LEU 338 HD23 0.06 0.00 -0.09 -0.04 0.89 0.82 2hc4A1 GLU 339 H 0.06 0.58 -0.11 -0.55 8.60 8.58 2hc4A1 GLU 339 HA 0.06 -0.00 0.41 -0.75 4.29 4.00 2hc4A1 GLU 339 HB2 0.04 -0.09 0.10 -0.04 2.09 2.10 2hc4A1 GLU 339 HB3 0.04 0.16 0.07 -0.04 1.99 2.22 2hc4A1 GLU 339 HG2 0.04 -0.04 0.00 -0.04 2.34 2.30 2hc4A1 GLU 339 HG3 0.03 -0.02 -0.03 -0.04 2.34 2.28 2hc4A1 PRO 340 HA 0.05 0.02 0.41 -0.51 4.44 4.41 2hc4A1 PRO 340 HB2 0.01 0.09 0.01 -0.04 2.28 2.36 2hc4A1 PRO 340 HB3 0.03 -0.01 0.06 -0.04 2.02 2.06 2hc4A1 PRO 340 HG2 0.01 0.16 0.08 -0.04 2.03 2.25 2hc4A1 PRO 340 HG3 0.02 -0.04 0.02 -0.04 2.03 2.00 2hc4A1 PRO 340 HD2 0.03 0.35 -0.28 -0.04 3.68 3.74 2hc4A1 PRO 340 HD3 0.03 0.07 -0.01 -0.04 3.65 3.70 2hc4A1 LEU 341 H 0.06 0.48 -0.32 -0.55 8.37 8.04 2hc4A1 LEU 341 HA 0.09 0.04 0.36 -0.75 4.35 4.09 2hc4A1 LEU 341 HB2 0.08 0.14 0.03 -0.04 1.64 1.84 2hc4A1 LEU 341 HB3 0.24 0.01 0.07 -0.04 1.64 1.91 2hc4A1 LEU 341 HG 0.00 0.01 -0.05 -0.04 1.64 1.57 2hc4A1 LEU 341 HD13 0.12 -0.01 -0.10 -0.04 0.93 0.90 2hc4A1 LEU 341 HD23 0.28 -0.01 -0.08 -0.04 0.89 1.04 2hc4A1 VAL 342 H 0.13 0.65 0.02 -0.55 8.24 8.49 2hc4A1 VAL 342 HA -0.21 0.02 0.36 -0.75 4.13 3.54 2hc4A1 VAL 342 HB 0.07 0.11 0.16 -0.04 2.12 2.42 2hc4A1 VAL 342 HG13 0.08 -0.01 -0.10 -0.04 0.97 0.90 2hc4A1 VAL 342 HG23 0.14 0.00 0.06 -0.04 0.95 1.11 2hc4A1 LYS 343 H 0.04 0.55 -0.27 -0.55 8.42 8.19 2hc4A1 LYS 343 HA -0.01 -0.01 0.40 -0.75 4.32 3.95 2hc4A1 LYS 343 HB2 0.03 0.02 0.07 -0.04 1.87 1.95 2hc4A1 LYS 343 HB3 0.05 0.07 0.14 -0.04 1.79 2.01 2hc4A1 LYS 343 HG2 0.03 0.01 -0.16 -0.04 1.46 1.30 2hc4A1 LYS 343 HG3 0.01 -0.05 0.05 -0.04 1.46 1.44 2hc4A1 LYS 343 HD2 0.02 -0.02 -0.03 -0.04 1.69 1.62 2hc4A1 LYS 343 HD3 0.03 -0.00 -0.04 -0.04 1.68 1.62 2hc4A1 LYS 343 HE2 0.02 -0.02 -0.03 -0.04 2.99 2.92 2hc4A1 LYS 343 HE3 0.02 0.01 -0.04 -0.04 2.99 2.94 2hc4A1 PHE 344 H 0.15 0.64 -0.23 -0.55 8.34 8.35 2hc4A1 PHE 344 HA -0.05 -0.04 0.47 -0.75 4.62 4.25 2hc4A1 PHE 344 HB2 -0.03 -0.03 0.09 -0.04 3.15 3.14 2hc4A1 PHE 344 HB3 -0.04 0.18 0.26 -0.04 3.06 3.42 2hc4A1 PHE 344 HD2 -0.03 0.01 -0.09 -0.04 7.28 7.13 2hc4A1 PHE 344 HE2 -0.01 0.07 -0.10 -0.04 7.38 7.30 2hc4A1 PHE 344 HZ -0.02 0.00 -0.10 -0.04 7.32 7.16 2hc4A1 GLN 345 H -0.05 0.73 0.00 -0.55 8.47 8.60 2hc4A1 GLN 345 HA -0.37 0.02 0.36 -0.75 4.36 3.62 2hc4A1 GLN 345 HB2 -1.25 0.09 0.10 -0.04 2.15 1.04 2hc4A1 GLN 345 HB3 -1.81 -0.05 -0.06 -0.04 2.02 0.06 2hc4A1 GLN 345 HG2 0.04 0.28 -0.06 -0.04 2.40 2.62 2hc4A1 GLN 345 HG3 -0.42 -0.08 -0.13 -0.04 2.39 1.72 2hc4A1 GLN 345 HE21 0.25 0.10 -0.04 -0.04 6.97 7.24 2hc4A1 GLN 345 HE22 -0.23 -0.04 -0.01 -0.04 7.69 7.37 2hc4A1 VAL 346 H -0.28 0.58 -0.29 -0.55 8.24 7.71 2hc4A1 VAL 346 HA -0.01 -0.01 0.40 -0.75 4.13 3.76 2hc4A1 VAL 346 HB -0.05 0.13 0.16 -0.04 2.12 2.31 2hc4A1 VAL 346 HG13 0.00 -0.02 -0.14 -0.04 0.97 0.76 2hc4A1 VAL 346 HG23 0.08 0.03 0.02 -0.04 0.95 1.03 2hc4A1 GLY 347 H -0.15 0.53 -0.07 -0.55 8.43 8.19 2hc4A1 GLY 347 HA2 -0.08 -0.00 0.39 -0.51 4.01 3.81 2hc4A1 GLY 347 HA3 -0.13 0.05 0.32 -0.51 4.01 3.74 2hc4A1 LEU 348 H -0.42 0.68 -0.12 -0.55 8.37 7.97 2hc4A1 LEU 348 HA -0.21 -0.01 0.37 -0.75 4.35 3.75 2hc4A1 LEU 348 HB2 -0.78 -0.02 0.06 -0.04 1.64 0.86 2hc4A1 LEU 348 HB3 -0.49 0.12 0.10 -0.04 1.64 1.33 2hc4A1 LEU 348 HG -0.08 0.01 -0.27 -0.04 1.64 1.26 2hc4A1 LEU 348 HD13 -0.07 -0.03 -0.00 -0.04 0.93 0.79 2hc4A1 LEU 348 HD23 -0.04 0.01 -0.03 -0.04 0.89 0.78 2hc4A1 LYS 349 H -0.14 0.54 -0.22 -0.55 8.42 8.04 2hc4A1 LYS 349 HA -0.01 0.02 0.40 -0.75 4.32 3.98 2hc4A1 LYS 349 HB2 0.04 0.21 0.15 -0.04 1.87 2.22 2hc4A1 LYS 349 HB3 0.03 0.05 0.10 -0.04 1.79 1.93 2hc4A1 LYS 349 HG2 0.10 -0.16 -0.03 -0.04 1.46 1.33 2hc4A1 LYS 349 HG3 0.03 -0.06 -0.02 -0.04 1.46 1.37 2hc4A1 LYS 349 HD2 0.04 -0.06 0.05 -0.04 1.69 1.68 2hc4A1 LYS 349 HD3 0.13 0.10 0.02 -0.04 1.68 1.89 2hc4A1 LYS 349 HE2 0.04 -0.11 0.06 -0.04 2.99 2.94 2hc4A1 LYS 349 HE3 0.03 -0.11 0.04 -0.04 2.99 2.91 2hc4A1 LYS 350 H -0.05 0.46 -0.28 -0.55 8.42 8.00 2hc4A1 LYS 350 HA 0.00 0.01 0.41 -0.75 4.32 3.98 2hc4A1 LYS 350 HB2 -0.04 0.20 0.12 -0.04 1.87 2.12 2hc4A1 LYS 350 HB3 -0.01 -0.08 0.09 -0.04 1.79 1.74 2hc4A1 LYS 350 HG2 -0.00 -0.08 0.04 -0.04 1.46 1.38 2hc4A1 LYS 350 HG3 -0.01 0.25 0.08 -0.04 1.46 1.74 2hc4A1 LYS 350 HD2 -0.02 0.00 -0.03 -0.04 1.69 1.60 2hc4A1 LYS 350 HD3 -0.01 -0.05 0.01 -0.04 1.68 1.59 2hc4A1 LYS 350 HE2 -0.00 -0.03 -0.01 -0.04 2.99 2.91 2hc4A1 LYS 350 HE3 -0.00 0.01 -0.05 -0.04 2.99 2.90 2hc4A1 LEU 351 H -0.03 0.46 -0.58 -0.55 8.37 7.67 2hc4A1 LEU 351 HA 0.00 0.07 0.57 -0.75 4.35 4.24 2hc4A1 LEU 351 HB2 -0.00 0.07 0.04 -0.04 1.64 1.70 2hc4A1 LEU 351 HB3 0.00 -0.12 0.09 -0.04 1.64 1.58 2hc4A1 LEU 351 HG -0.07 0.20 0.05 -0.04 1.64 1.79 2hc4A1 LEU 351 HD13 -0.05 -0.03 -0.10 -0.04 0.93 0.71 2hc4A1 LEU 351 HD23 -0.03 -0.03 -0.13 -0.04 0.89 0.65 2hc4A1 LYS 352 H 0.03 0.44 -0.39 -0.55 8.42 7.94 2hc4A1 LYS 352 HA 0.05 0.08 0.30 -0.75 4.32 4.00 2hc4A1 LYS 352 HB2 0.12 0.02 -0.15 -0.04 1.87 1.82 2hc4A1 LYS 352 HB3 0.09 -0.05 0.15 -0.04 1.79 1.93 2hc4A1 LYS 352 HG2 0.03 0.01 0.05 -0.04 1.46 1.52 2hc4A1 LYS 352 HG3 0.04 0.10 -0.12 -0.04 1.46 1.43 2hc4A1 LYS 352 HD2 0.06 -0.00 -0.04 -0.04 1.69 1.66 2hc4A1 LYS 352 HD3 0.05 -0.05 0.01 -0.04 1.68 1.64 2hc4A1 LYS 352 HE2 0.02 0.05 0.01 -0.04 2.99 3.03 2hc4A1 LYS 352 HE3 0.02 -0.06 0.00 -0.04 2.99 2.92 2hc4A1 LEU 353 H 0.08 0.04 -0.42 -0.55 8.37 7.52 2hc4A1 LEU 353 HA 0.20 0.03 0.31 -0.75 4.35 4.14 2hc4A1 LEU 353 HB2 0.09 -0.00 -0.11 -0.04 1.64 1.58 2hc4A1 LEU 353 HB3 0.10 -0.13 -0.03 -0.04 1.64 1.54 2hc4A1 LEU 353 HG 0.05 0.08 -0.08 -0.04 1.64 1.65 2hc4A1 LEU 353 HD13 0.08 -0.01 -0.13 -0.04 0.93 0.83 2hc4A1 LEU 353 HD23 0.05 0.03 -0.06 -0.04 0.89 0.87 2hc4A1 HIS 354 H 0.13 0.03 0.20 -0.55 8.41 8.22 2hc4A1 HIS 354 HA -0.03 0.25 0.67 -0.75 4.63 4.77 2hc4A1 HIS 354 HB2 -0.02 -0.18 0.13 -0.04 3.26 3.16 2hc4A1 HIS 354 HB3 -0.00 -0.06 0.14 -0.04 3.20 3.23 2hc4A1 HIS 354 HD2 -0.23 0.19 -0.08 -0.04 6.97 6.81 2hc4A1 HIS 354 HE1 -0.20 0.24 0.10 -0.04 7.75 7.85 2hc4A1 GLU 355 H 0.03 0.25 0.17 -0.55 8.60 8.49 2hc4A1 GLU 355 HA -0.01 0.14 0.34 -0.75 4.29 4.00 2hc4A1 GLU 355 HB2 0.03 0.09 0.15 -0.04 2.09 2.32 2hc4A1 GLU 355 HB3 0.03 -0.04 0.10 -0.04 1.99 2.04 2hc4A1 GLU 355 HG2 0.02 -0.04 -0.08 -0.04 2.34 2.21 2hc4A1 GLU 355 HG3 0.08 0.05 0.06 -0.04 2.34 2.49 2hc4A1 GLU 356 H -0.02 0.07 -0.34 -0.55 8.60 7.76 2hc4A1 GLU 356 HA -0.12 0.12 0.41 -0.75 4.29 3.95 2hc4A1 GLU 356 HB2 -0.54 -0.02 0.03 -0.04 2.09 1.52 2hc4A1 GLU 356 HB3 -0.63 0.03 -0.04 -0.04 1.99 1.31 2hc4A1 GLU 356 HG2 -0.08 0.03 -0.01 -0.04 2.34 2.25 2hc4A1 GLU 356 HG3 -0.07 0.03 -0.02 -0.04 2.34 2.24 2hc4A1 GLU 357 H -0.11 0.18 -0.18 -0.55 8.60 7.95 2hc4A1 GLU 357 HA -0.11 0.07 0.52 -0.75 4.29 4.03 2hc4A1 GLU 357 HB2 0.04 0.06 0.09 -0.04 2.09 2.24 2hc4A1 GLU 357 HB3 0.03 0.03 0.06 -0.04 1.99 2.07 2hc4A1 GLU 357 HG2 -0.01 0.05 -0.02 -0.04 2.34 2.31 2hc4A1 GLU 357 HG3 -0.15 -0.12 0.07 -0.04 2.34 2.09 2hc4A1 HIS 358 H 0.06 0.52 -0.22 -0.55 8.41 8.23 2hc4A1 HIS 358 HA -0.07 0.06 0.36 -0.75 4.63 4.23 2hc4A1 HIS 358 HB2 -0.06 0.03 -0.09 -0.04 3.26 3.11 2hc4A1 HIS 358 HB3 -0.13 0.07 0.06 -0.04 3.20 3.16 2hc4A1 HIS 358 HD2 -0.05 -0.01 -0.09 -0.04 6.97 6.78 2hc4A1 HIS 358 HE1 -0.25 0.01 -0.08 -0.04 7.75 7.39 2hc4A1 VAL 359 H -0.04 0.54 -0.14 -0.55 8.24 8.05 2hc4A1 VAL 359 HA -0.25 0.08 0.39 -0.75 4.13 3.60 2hc4A1 VAL 359 HB -0.08 0.09 0.06 -0.04 2.12 2.15 2hc4A1 VAL 359 HG13 -0.03 -0.01 -0.04 -0.04 0.97 0.84 2hc4A1 VAL 359 HG23 0.17 -0.00 -0.25 -0.04 0.95 0.83 2hc4A1 LEU 360 H -0.06 0.30 -0.45 -0.55 8.37 7.62 2hc4A1 LEU 360 HA 0.01 0.05 0.46 -0.75 4.35 4.11 2hc4A1 LEU 360 HB2 -0.05 0.09 0.18 -0.04 1.64 1.82 2hc4A1 LEU 360 HB3 0.00 -0.05 -0.04 -0.04 1.64 1.51 2hc4A1 LEU 360 HG -0.05 0.05 0.03 -0.04 1.64 1.63 2hc4A1 LEU 360 HD13 -0.08 -0.03 -0.11 -0.04 0.93 0.67 2hc4A1 LEU 360 HD23 0.01 -0.00 0.01 -0.04 0.89 0.87 2hc4A1 LEU 361 H -0.07 0.54 -0.19 -0.55 8.37 8.10 2hc4A1 LEU 361 HA -0.04 -0.01 0.36 -0.75 4.35 3.90 2hc4A1 LEU 361 HB2 -0.06 0.05 0.11 -0.04 1.64 1.69 2hc4A1 LEU 361 HB3 -0.15 0.16 0.08 -0.04 1.64 1.69 2hc4A1 LEU 361 HG -0.05 -0.01 -0.14 -0.04 1.64 1.40 2hc4A1 LEU 361 HD13 -0.05 -0.02 -0.00 -0.04 0.93 0.82 2hc4A1 LEU 361 HD23 -0.02 -0.00 -0.04 -0.04 0.89 0.78 2hc4A1 MET 362 H -0.14 0.33 -0.47 -0.55 8.47 7.63 2hc4A1 MET 362 HA -0.09 0.07 0.50 -0.75 4.52 4.25 2hc4A1 MET 362 HB2 -0.24 0.11 0.08 -0.04 2.15 2.05 2hc4A1 MET 362 HB3 -0.20 -0.02 -0.04 -0.04 2.03 1.72 2hc4A1 MET 362 HG2 -0.26 -0.05 -0.05 -0.04 2.63 2.22 2hc4A1 MET 362 HG3 -0.54 0.20 -0.04 -0.04 2.56 2.14 2hc4A1 MET 362 HE3 -0.74 -0.00 -0.11 -0.04 2.10 1.21 2hc4A1 ALA 363 H 0.10 0.41 -0.14 -0.55 8.40 8.23 2hc4A1 ALA 363 HA 0.11 0.06 0.38 -0.75 4.34 4.13 2hc4A1 ALA 363 HB3 0.04 0.01 0.09 -0.04 1.41 1.51 2hc4A1 ILE 364 H 0.02 0.62 -0.22 -0.55 8.25 8.12 2hc4A1 ILE 364 HA 0.02 0.02 0.37 -0.75 4.18 3.84 2hc4A1 ILE 364 HB -0.01 0.08 0.07 -0.04 1.89 1.99 2hc4A1 ILE 364 HG12 0.03 -0.01 -0.03 -0.04 1.49 1.44 2hc4A1 ILE 364 HG13 0.02 0.08 -0.02 -0.04 1.21 1.24 2hc4A1 ILE 364 HG23 -0.00 -0.01 -0.18 -0.04 0.93 0.70 2hc4A1 ILE 364 HD13 0.04 -0.03 -0.24 -0.04 0.88 0.61 2hc4A1 CYS 365 H -0.00 0.42 -0.31 -0.55 8.50 8.05 2hc4A1 CYS 365 HA -0.00 -0.00 0.34 -0.75 4.58 4.16 2hc4A1 CYS 365 HB2 -0.02 0.02 0.09 -0.04 2.97 3.03 2hc4A1 CYS 365 HB3 -0.02 0.10 0.11 -0.04 2.97 3.12 2hc4A1 LEU 366 H 0.02 0.42 -0.36 -0.55 8.37 7.90 2hc4A1 LEU 366 HA 0.02 0.04 0.40 -0.75 4.35 4.05 2hc4A1 LEU 366 HB2 0.02 0.04 0.05 -0.04 1.64 1.71 2hc4A1 LEU 366 HB3 -0.00 0.10 0.05 -0.04 1.64 1.75 2hc4A1 LEU 366 HG -0.13 -0.03 -0.15 -0.04 1.64 1.29 2hc4A1 LEU 366 HD13 -0.00 -0.02 -0.08 -0.04 0.93 0.79 2hc4A1 LEU 366 HD23 -0.15 -0.02 -0.06 -0.04 0.89 0.62 2hc4A1 LEU 367 H 0.03 0.34 -0.48 -0.55 8.37 7.71 2hc4A1 LEU 367 HA 0.09 0.12 0.66 -0.75 4.35 4.47 2hc4A1 LEU 367 HB2 0.04 0.08 0.07 -0.04 1.64 1.79 2hc4A1 LEU 367 HB3 0.06 -0.11 0.13 -0.04 1.64 1.67 2hc4A1 LEU 367 HG 0.06 0.05 -0.18 -0.04 1.64 1.53 2hc4A1 LEU 367 HD13 0.04 -0.03 -0.18 -0.04 0.93 0.72 2hc4A1 LEU 367 HD23 0.18 -0.02 -0.10 -0.04 0.89 0.91 2hc4A1 SER 368 H 0.03 0.34 -0.62 -0.55 8.46 7.67 2hc4A1 SER 368 HA 0.03 0.07 0.54 -0.75 4.49 4.37 2hc4A1 SER 368 HB2 0.02 0.07 0.04 -0.04 3.95 4.03 2hc4A1 SER 368 HB3 0.01 -0.13 -0.03 -0.04 3.93 3.74 2hc4A1 PRO 369 HA 0.06 0.05 0.37 -0.51 4.44 4.41 2hc4A1 PRO 369 HB2 0.08 0.03 0.09 -0.04 2.28 2.44 2hc4A1 PRO 369 HB3 0.07 -0.13 -0.00 -0.04 2.02 1.92 2hc4A1 PRO 369 HG2 0.03 0.01 0.01 -0.04 2.03 2.04 2hc4A1 PRO 369 HG3 0.05 0.00 0.08 -0.04 2.03 2.12 2hc4A1 PRO 369 HD2 0.03 0.06 0.23 -0.04 3.68 3.96 2hc4A1 PRO 369 HD3 0.04 0.36 0.16 -0.04 3.65 4.17 2hc4A1 ASP 370 H 0.02 0.08 -0.51 -0.55 8.40 7.44 2hc4A1 ASP 370 HA -0.02 0.09 0.48 -0.75 4.63 4.42 2hc4A1 ASP 370 HB2 -0.00 0.04 0.18 -0.04 2.71 2.88 2hc4A1 ASP 370 HB3 -0.01 -0.02 0.05 -0.04 2.70 2.68 2hc4A1 ARG 371 H 0.01 0.42 -0.41 -0.55 8.46 7.93 2hc4A1 ARG 371 HA 0.01 0.22 0.91 -0.75 4.34 4.72 2hc4A1 ARG 371 HB2 0.03 -0.11 -0.10 -0.04 1.90 1.67 2hc4A1 ARG 371 HB3 0.02 0.11 -0.03 -0.04 1.80 1.86 2hc4A1 ARG 371 HG2 0.02 0.09 -0.36 -0.04 1.67 1.38 2hc4A1 ARG 371 HG3 0.03 0.02 -0.06 -0.04 1.67 1.62 2hc4A1 ARG 371 HD2 0.01 -0.00 -0.08 -0.04 3.22 3.11 2hc4A1 ARG 371 HD3 0.01 0.07 -0.17 -0.04 3.22 3.08 2hc4A1 PRO 372 HA 0.01 -0.02 0.50 -0.51 4.44 4.41 2hc4A1 PRO 372 HB2 0.01 0.03 0.01 -0.04 2.28 2.30 2hc4A1 PRO 372 HB3 0.01 -0.00 0.11 -0.04 2.02 2.09 2hc4A1 PRO 372 HG2 0.02 0.08 0.10 -0.04 2.03 2.19 2hc4A1 PRO 372 HG3 0.01 0.05 0.08 -0.04 2.03 2.13 2hc4A1 PRO 372 HD2 0.01 0.15 0.24 -0.04 3.68 4.04 2hc4A1 PRO 372 HD3 0.01 0.12 0.14 -0.04 3.65 3.88 2hc4A1 GLY 373 H 0.01 0.11 0.19 -0.55 8.43 8.20 2hc4A1 GLY 373 HA2 0.02 -0.04 0.33 -0.51 4.01 3.81 2hc4A1 GLY 373 HA3 0.02 0.16 0.55 -0.51 4.01 4.23 2hc4A1 VAL 374 H 0.03 0.41 -0.26 -0.55 8.24 7.87 2hc4A1 VAL 374 HA 0.03 -0.01 0.45 -0.75 4.13 3.85 2hc4A1 VAL 374 HB 0.07 -0.18 -0.07 -0.04 2.12 1.89 2hc4A1 VAL 374 HG13 0.04 0.05 -0.13 -0.04 0.97 0.89 2hc4A1 VAL 374 HG23 0.05 0.18 0.11 -0.04 0.95 1.25 2hc4A1 GLN 375 H 0.02 0.00 0.10 -0.55 8.47 8.05 2hc4A1 GLN 375 HA 0.06 0.28 0.90 -0.75 4.36 4.85 2hc4A1 GLN 375 HB2 -0.01 -0.21 0.24 -0.04 2.15 2.13 2hc4A1 GLN 375 HB3 -0.00 0.02 0.08 -0.04 2.02 2.08 2hc4A1 GLN 375 HG2 0.01 0.15 -0.09 -0.04 2.40 2.43 2hc4A1 GLN 375 HG3 -0.00 -0.05 0.01 -0.04 2.39 2.31 2hc4A1 GLN 375 HE21 0.02 -0.03 -0.09 -0.04 6.97 6.83 2hc4A1 GLN 375 HE22 0.02 0.21 -0.38 -0.04 7.69 7.50 2hc4A1 ASP 376 H -0.02 0.11 0.15 -0.55 8.40 8.10 2hc4A1 ASP 376 HA -0.13 0.13 0.48 -0.75 4.63 4.36 2hc4A1 ASP 376 HB2 -0.05 0.06 0.23 -0.04 2.71 2.90 2hc4A1 ASP 376 HB3 -0.04 0.02 0.28 -0.04 2.70 2.92 2hc4A1 HIS 377 H -0.15 0.98 0.10 -0.55 8.41 8.80 2hc4A1 HIS 377 HA 0.00 0.04 0.33 -0.75 4.63 4.25 2hc4A1 HIS 377 HB2 0.01 0.02 0.14 -0.04 3.26 3.39 2hc4A1 HIS 377 HB3 0.00 0.11 -0.01 -0.04 3.20 3.26 2hc4A1 HIS 377 HD2 0.00 0.18 0.10 -0.04 6.97 7.20 2hc4A1 HIS 377 HE1 0.00 -0.02 -0.04 -0.04 7.75 7.65 2hc4A1 VAL 378 H -0.23 -0.01 -0.64 -0.55 8.24 6.81 2hc4A1 VAL 378 HA -0.00 0.21 0.69 -0.75 4.13 4.28 2hc4A1 VAL 378 HB -0.13 -0.06 0.08 -0.04 2.12 1.97 2hc4A1 VAL 378 HG13 -0.03 0.02 -0.14 -0.04 0.97 0.77 2hc4A1 VAL 378 HG23 -0.18 0.02 -0.02 -0.04 0.95 0.73 2hc4A1 ARG 379 H -0.06 0.14 0.05 -0.55 8.46 8.04 2hc4A1 ARG 379 HA -0.01 0.10 0.49 -0.75 4.34 4.17 2hc4A1 ARG 379 HB2 -0.03 -0.00 0.12 -0.04 1.90 1.94 2hc4A1 ARG 379 HB3 -0.03 0.04 0.16 -0.04 1.80 1.92 2hc4A1 ARG 379 HG2 -0.01 0.03 -0.26 -0.04 1.67 1.38 2hc4A1 ARG 379 HG3 -0.01 -0.01 0.04 -0.04 1.67 1.65 2hc4A1 ARG 379 HD2 -0.04 -0.04 -0.03 -0.04 3.22 3.07 2hc4A1 ARG 379 HD3 -0.03 0.08 -0.07 -0.04 3.22 3.16 2hc4A1 ILE 380 H 0.00 0.34 -0.09 -0.55 8.25 7.96 2hc4A1 ILE 380 HA 0.03 0.09 0.38 -0.75 4.18 3.93 2hc4A1 ILE 380 HB 0.05 -0.06 0.02 -0.04 1.89 1.86 2hc4A1 ILE 380 HG12 0.02 0.05 -0.05 -0.04 1.49 1.48 2hc4A1 ILE 380 HG13 0.00 -0.02 0.02 -0.04 1.21 1.17 2hc4A1 ILE 380 HG23 0.06 0.05 -0.32 -0.04 0.93 0.68 2hc4A1 ILE 380 HD13 0.03 -0.01 -0.15 -0.04 0.88 0.71 2hc4A1 GLU 381 H 0.05 0.19 -0.43 -0.55 8.60 7.85 2hc4A1 GLU 381 HA 0.05 0.06 0.37 -0.75 4.29 4.02 2hc4A1 GLU 381 HB2 0.08 0.14 0.22 -0.04 2.09 2.48 2hc4A1 GLU 381 HB3 0.05 0.12 0.20 -0.04 1.99 2.31 2hc4A1 GLU 381 HG2 0.05 -0.03 0.02 -0.04 2.34 2.33 2hc4A1 GLU 381 HG3 0.04 -0.03 -0.28 -0.04 2.34 2.03 2hc4A1 ALA 382 H 0.02 0.34 -0.36 -0.55 8.40 7.85 2hc4A1 ALA 382 HA 0.02 0.00 0.42 -0.75 4.34 4.03 2hc4A1 ALA 382 HB3 0.01 0.02 0.11 -0.04 1.41 1.51 2hc4A1 LEU 383 H 0.02 0.57 -0.06 -0.55 8.37 8.35 2hc4A1 LEU 383 HA 0.02 -0.05 0.42 -0.75 4.35 3.98 2hc4A1 LEU 383 HB2 0.04 0.14 0.19 -0.04 1.64 1.96 2hc4A1 LEU 383 HB3 0.04 0.00 -0.01 -0.04 1.64 1.63 2hc4A1 LEU 383 HG 0.01 0.13 0.09 -0.04 1.64 1.84 2hc4A1 LEU 383 HD13 0.03 -0.01 -0.15 -0.04 0.93 0.75 2hc4A1 LEU 383 HD23 0.02 -0.00 0.04 -0.04 0.89 0.90 2hc4A1 GLN 384 H 0.04 0.69 -0.07 -0.55 8.47 8.59 2hc4A1 GLN 384 HA 0.04 -0.00 0.38 -0.75 4.36 4.02 2hc4A1 GLN 384 HB2 0.04 0.45 0.19 -0.04 2.15 2.79 2hc4A1 GLN 384 HB3 0.04 0.03 0.13 -0.04 2.02 2.18 2hc4A1 GLN 384 HG2 0.04 -0.17 -0.11 -0.04 2.40 2.12 2hc4A1 GLN 384 HG3 0.03 0.08 0.02 -0.04 2.39 2.48 2hc4A1 GLN 384 HE21 0.02 -0.11 -0.04 -0.04 6.97 6.80 2hc4A1 GLN 384 HE22 0.02 0.32 -0.15 -0.04 7.69 7.84 2hc4A1 ASP 385 H 0.03 0.46 -0.31 -0.55 8.40 8.03 2hc4A1 ASP 385 HA 0.05 -0.02 0.43 -0.75 4.63 4.33 2hc4A1 ASP 385 HB2 0.03 0.22 0.25 -0.04 2.71 3.17 2hc4A1 ASP 385 HB3 0.03 -0.10 -0.01 -0.04 2.70 2.58 2hc4A1 ARG 386 H 0.03 0.58 -0.01 -0.55 8.46 8.50 2hc4A1 ARG 386 HA 0.03 -0.02 0.46 -0.75 4.34 4.06 2hc4A1 ARG 386 HB2 0.02 0.01 0.11 -0.04 1.90 2.00 2hc4A1 ARG 386 HB3 0.02 0.15 0.14 -0.04 1.80 2.08 2hc4A1 ARG 386 HG2 0.02 0.00 -0.13 -0.04 1.67 1.52 2hc4A1 ARG 386 HG3 0.02 -0.08 0.08 -0.04 1.67 1.65 2hc4A1 ARG 386 HD2 0.02 -0.09 -0.03 -0.04 3.22 3.08 2hc4A1 ARG 386 HD3 0.01 0.01 -0.00 -0.04 3.22 3.20 2hc4A1 LEU 387 H 0.03 0.58 -0.17 -0.55 8.37 8.26 2hc4A1 LEU 387 HA 0.03 -0.02 0.47 -0.75 4.35 4.08 2hc4A1 LEU 387 HB2 0.04 0.21 0.16 -0.04 1.64 2.00 2hc4A1 LEU 387 HB3 0.03 -0.05 -0.04 -0.04 1.64 1.55 2hc4A1 LEU 387 HG 0.01 -0.02 -0.08 -0.04 1.64 1.51 2hc4A1 LEU 387 HD13 0.01 -0.03 -0.00 -0.04 0.93 0.86 2hc4A1 LEU 387 HD23 0.02 0.03 -0.07 -0.04 0.89 0.83 2hc4A1 CYS 388 H 0.06 0.73 -0.03 -0.55 8.50 8.71 2hc4A1 CYS 388 HA 0.16 -0.03 0.37 -0.75 4.58 4.33 2hc4A1 CYS 388 HB2 0.09 0.16 0.19 -0.04 2.97 3.36 2hc4A1 CYS 388 HB3 0.20 -0.08 -0.01 -0.04 2.97 3.04 2hc4A1 ASP 389 H 0.05 0.44 -0.49 -0.55 8.40 7.86 2hc4A1 ASP 389 HA -0.00 0.01 0.47 -0.75 4.63 4.36 2hc4A1 ASP 389 HB2 0.03 0.23 0.23 -0.04 2.71 3.17 2hc4A1 ASP 389 HB3 0.02 -0.10 -0.01 -0.04 2.70 2.57 2hc4A1 VAL 390 H 0.05 0.48 -0.05 -0.55 8.24 8.17 2hc4A1 VAL 390 HA 0.07 -0.05 0.47 -0.75 4.13 3.86 2hc4A1 VAL 390 HB 0.05 0.16 0.23 -0.04 2.12 2.51 2hc4A1 VAL 390 HG13 0.06 -0.03 -0.03 -0.04 0.97 0.92 2hc4A1 VAL 390 HG23 0.04 0.07 0.13 -0.04 0.95 1.15 2hc4A1 LEU 391 H 0.09 0.70 -0.04 -0.55 8.37 8.58 2hc4A1 LEU 391 HA 0.11 -0.02 0.34 -0.75 4.35 4.02 2hc4A1 LEU 391 HB2 0.08 0.01 0.04 -0.04 1.64 1.73 2hc4A1 LEU 391 HB3 0.22 0.11 0.10 -0.04 1.64 2.03 2hc4A1 LEU 391 HG 0.30 -0.02 -0.25 -0.04 1.64 1.63 2hc4A1 LEU 391 HD13 0.07 -0.02 0.06 -0.04 0.93 1.00 2hc4A1 LEU 391 HD23 0.01 0.01 -0.08 -0.04 0.89 0.79 2hc4A1 GLN 392 H 0.09 0.55 -0.26 -0.55 8.47 8.31 2hc4A1 GLN 392 HA -0.03 -0.03 0.42 -0.75 4.36 3.96 2hc4A1 GLN 392 HB2 -0.37 0.20 0.18 -0.04 2.15 2.11 2hc4A1 GLN 392 HB3 -0.14 0.05 0.13 -0.04 2.02 2.02 2hc4A1 GLN 392 HG2 -0.23 -0.01 -0.07 -0.04 2.40 2.04 2hc4A1 GLN 392 HG3 -0.69 -0.06 0.06 -0.04 2.39 1.65 2hc4A1 GLN 392 HE21 -0.17 -0.01 -0.02 -0.04 6.97 6.73 2hc4A1 GLN 392 HE22 -0.17 -0.00 -0.03 -0.04 7.69 7.45 2hc4A1 ALA 393 H 0.03 0.64 -0.07 -0.55 8.40 8.46 2hc4A1 ALA 393 HA 0.01 0.03 0.41 -0.75 4.34 4.04 2hc4A1 ALA 393 HB3 0.05 -0.00 0.10 -0.04 1.41 1.52 2hc4A1 TYR 394 H 0.18 0.75 -0.06 -0.55 8.29 8.61 2hc4A1 TYR 394 HA 0.03 -0.06 0.35 -0.75 4.56 4.12 2hc4A1 TYR 394 HB2 0.03 0.02 0.08 -0.04 3.06 3.15 2hc4A1 TYR 394 HB3 0.04 0.11 0.13 -0.04 2.98 3.22 2hc4A1 TYR 394 HD2 0.02 0.04 -0.18 -0.04 7.15 6.98 2hc4A1 TYR 394 HE2 -0.11 0.01 -0.06 -0.04 6.85 6.65 2hc4A1 ILE 395 H 0.22 0.65 -0.09 -0.55 8.25 8.48 2hc4A1 ILE 395 HA 0.17 -0.05 0.40 -0.75 4.18 3.95 2hc4A1 ILE 395 HB 0.10 0.11 0.19 -0.04 1.89 2.26 2hc4A1 ILE 395 HG12 0.19 -0.07 0.06 -0.04 1.49 1.63 2hc4A1 ILE 395 HG13 0.23 0.20 0.13 -0.04 1.21 1.72 2hc4A1 ILE 395 HG23 0.02 -0.06 -0.07 -0.04 0.93 0.78 2hc4A1 ILE 395 HD13 0.19 -0.06 -0.03 -0.04 0.88 0.95 2hc4A1 ARG 396 H 0.01 0.48 -0.14 -0.55 8.46 8.27 2hc4A1 ARG 396 HA -0.01 -0.02 0.39 -0.75 4.34 3.95 2hc4A1 ARG 396 HB2 -0.02 -0.02 0.13 -0.04 1.90 1.95 2hc4A1 ARG 396 HB3 -0.01 0.09 0.18 -0.04 1.80 2.02 2hc4A1 ARG 396 HG2 -0.01 -0.03 0.01 -0.04 1.67 1.59 2hc4A1 ARG 396 HG3 -0.02 -0.07 0.01 -0.04 1.67 1.55 2hc4A1 ARG 396 HD2 -0.00 0.07 -0.31 -0.04 3.22 2.94 2hc4A1 ARG 396 HD3 0.00 -0.02 -0.08 -0.04 3.22 3.09 2hc4A1 ILE 397 H -0.05 0.63 -0.04 -0.55 8.25 8.23 2hc4A1 ILE 397 HA -0.04 0.14 0.62 -0.75 4.18 4.14 2hc4A1 ILE 397 HB -0.10 -0.05 0.05 -0.04 1.89 1.75 2hc4A1 ILE 397 HG12 -0.01 0.15 -0.17 -0.04 1.49 1.42 2hc4A1 ILE 397 HG13 -0.01 0.07 -0.03 -0.04 1.21 1.21 2hc4A1 ILE 397 HG23 -0.07 -0.03 -0.07 -0.04 0.93 0.72 2hc4A1 ILE 397 HD13 0.01 -0.08 -0.21 -0.04 0.88 0.56 2hc4A1 GLN 398 H -0.31 0.88 0.15 -0.55 8.47 8.64 2hc4A1 GLN 398 HA -0.14 0.20 0.99 -0.75 4.36 4.65 2hc4A1 GLN 398 HB2 -1.46 0.04 0.07 -0.04 2.15 0.75 2hc4A1 GLN 398 HB3 -0.38 -0.07 0.14 -0.04 2.02 1.67 2hc4A1 GLN 398 HG2 -0.31 -0.06 -0.12 -0.04 2.40 1.86 2hc4A1 GLN 398 HG3 -0.40 -0.09 0.01 -0.04 2.39 1.88 2hc4A1 GLN 398 HE21 -0.04 0.00 -0.00 -0.04 6.97 6.89 2hc4A1 GLN 398 HE22 -0.06 -0.08 -0.03 -0.04 7.69 7.48 2hc4A1 HIS 399 H -0.05 0.48 -0.11 -0.55 8.41 8.19 2hc4A1 HIS 399 HA -0.00 0.23 1.09 -0.75 4.63 5.19 2hc4A1 HIS 399 HB2 -0.20 -0.13 -0.03 -0.04 3.26 2.87 2hc4A1 HIS 399 HB3 -0.08 0.02 0.27 -0.04 3.20 3.37 2hc4A1 HIS 399 HD2 0.07 0.15 -0.07 -0.04 6.97 7.07 2hc4A1 HIS 399 HE1 -0.00 0.09 -0.06 -0.04 7.75 7.73 2hc4A1 PRO 400 HA 0.03 0.00 0.47 -0.51 4.44 4.43 2hc4A1 PRO 400 HB2 0.09 0.01 0.09 -0.04 2.28 2.43 2hc4A1 PRO 400 HB3 0.04 -0.00 0.07 -0.04 2.02 2.09 2hc4A1 PRO 400 HG2 0.06 0.02 0.06 -0.04 2.03 2.13 2hc4A1 PRO 400 HG3 0.04 0.07 -0.01 -0.04 2.03 2.09 2hc4A1 PRO 400 HD2 0.21 0.08 0.21 -0.04 3.68 4.13 2hc4A1 PRO 400 HD3 0.09 0.35 -0.21 -0.04 3.65 3.85 2hc4A1 GLY 401 H -0.00 0.14 0.22 -0.55 8.43 8.24 2hc4A1 GLY 401 HA2 -0.02 -0.04 0.39 -0.51 4.01 3.84 2hc4A1 GLY 401 HA3 -0.01 0.15 0.54 -0.51 4.01 4.18 2hc4A1 GLY 402 H -0.07 0.43 -0.16 -0.55 8.43 8.08 2hc4A1 GLY 402 HA2 -0.20 0.09 0.72 -0.51 4.01 4.11 2hc4A1 GLY 402 HA3 -0.24 0.16 0.31 -0.51 4.01 3.74 2hc4A1 ARG 403 H -0.04 0.16 -0.46 -0.55 8.46 7.57 2hc4A1 ARG 403 HA -0.01 0.14 0.40 -0.75 4.34 4.11 2hc4A1 ARG 403 HB2 -0.01 -0.02 0.05 -0.04 1.90 1.88 2hc4A1 ARG 403 HB3 -0.01 0.03 0.02 -0.04 1.80 1.81 2hc4A1 ARG 403 HG2 -0.01 0.03 0.03 -0.04 1.67 1.68 2hc4A1 ARG 403 HG3 -0.01 0.06 0.02 -0.04 1.67 1.69 2hc4A1 ARG 403 HD2 -0.03 -0.15 -0.14 -0.04 3.22 2.86 2hc4A1 ARG 403 HD3 -0.01 0.06 0.02 -0.04 3.22 3.25 2hc4A1 LEU 404 H -0.02 0.13 -0.08 -0.55 8.37 7.85 2hc4A1 LEU 404 HA 0.02 0.17 0.67 -0.75 4.35 4.45 2hc4A1 LEU 404 HB2 -0.01 0.06 0.01 -0.04 1.64 1.66 2hc4A1 LEU 404 HB3 0.00 0.00 0.03 -0.04 1.64 1.63 2hc4A1 LEU 404 HG 0.00 0.02 -0.05 -0.04 1.64 1.57 2hc4A1 LEU 404 HD13 -0.01 -0.03 0.01 -0.04 0.93 0.85 2hc4A1 LEU 404 HD23 -0.00 0.02 -0.01 -0.04 0.89 0.85 2hc4A1 LEU 405 H -0.04 0.06 -0.28 -0.55 8.37 7.57 2hc4A1 LEU 405 HA -0.03 0.06 0.29 -0.75 4.35 3.92 2hc4A1 LEU 405 HB2 -0.13 0.03 0.12 -0.04 1.64 1.62 2hc4A1 LEU 405 HB3 -0.02 0.07 0.10 -0.04 1.64 1.75 2hc4A1 LEU 405 HG 0.02 -0.05 -0.22 -0.04 1.64 1.35 2hc4A1 LEU 405 HD13 -0.03 0.01 0.01 -0.04 0.93 0.88 2hc4A1 LEU 405 HD23 -0.09 0.01 0.01 -0.04 0.89 0.78 2hc4A1 TYR 406 H 0.14 0.27 -0.15 -0.55 8.29 8.01 2hc4A1 TYR 406 HA 0.01 0.02 0.34 -0.75 4.56 4.17 2hc4A1 TYR 406 HB2 0.01 0.07 0.09 -0.04 3.06 3.19 2hc4A1 TYR 406 HB3 0.00 0.01 0.06 -0.04 2.98 3.01 2hc4A1 TYR 406 HD2 0.01 -0.00 -0.15 -0.04 7.15 6.97 2hc4A1 TYR 406 HE2 0.01 0.03 -0.01 -0.04 6.85 6.84 2hc4A1 ALA 407 H 0.16 0.25 -0.15 -0.55 8.40 8.11 2hc4A1 ALA 407 HA 0.02 -0.01 0.42 -0.75 4.34 4.02 2hc4A1 ALA 407 HB3 0.06 0.04 0.10 -0.04 1.41 1.56 2hc4A1 LYS 408 H -0.01 0.47 -0.21 -0.55 8.42 8.12 2hc4A1 LYS 408 HA -0.02 -0.00 0.45 -0.75 4.32 3.99 2hc4A1 LYS 408 HB2 -0.03 0.17 0.12 -0.04 1.87 2.10 2hc4A1 LYS 408 HB3 -0.03 -0.02 -0.02 -0.04 1.79 1.67 2hc4A1 LYS 408 HG2 -0.01 -0.04 -0.04 -0.04 1.46 1.33 2hc4A1 LYS 408 HG3 -0.01 0.05 -0.14 -0.04 1.46 1.32 2hc4A1 LYS 408 HD2 -0.02 -0.00 -0.09 -0.04 1.69 1.53 2hc4A1 LYS 408 HD3 -0.02 0.03 -0.06 -0.04 1.68 1.59 2hc4A1 LYS 408 HE2 -0.01 -0.01 -0.05 -0.04 2.99 2.88 2hc4A1 LYS 408 HE3 -0.01 -0.09 -0.11 -0.04 2.99 2.73 2hc4A1 MET 409 H -0.09 0.55 -0.05 -0.55 8.47 8.34 2hc4A1 MET 409 HA -0.06 0.04 0.44 -0.75 4.52 4.19 2hc4A1 MET 409 HB2 -0.20 0.11 0.13 -0.04 2.15 2.15 2hc4A1 MET 409 HB3 -0.10 -0.03 0.00 -0.04 2.03 1.85 2hc4A1 MET 409 HG2 -0.03 0.00 -0.03 -0.04 2.63 2.53 2hc4A1 MET 409 HG3 -0.03 0.09 -0.09 -0.04 2.56 2.48 2hc4A1 MET 409 HE3 -0.02 0.01 -0.05 -0.04 2.10 2.00 2hc4A1 ILE 410 H -0.22 0.51 -0.11 -0.55 8.25 7.88 2hc4A1 ILE 410 HA -0.13 0.05 0.46 -0.75 4.18 3.80 2hc4A1 ILE 410 HB -0.12 0.12 0.12 -0.04 1.89 1.97 2hc4A1 ILE 410 HG12 -0.69 0.23 0.05 -0.04 1.49 1.04 2hc4A1 ILE 410 HG13 -0.29 -0.04 -0.01 -0.04 1.21 0.82 2hc4A1 ILE 410 HG23 -0.05 -0.02 -0.05 -0.04 0.93 0.78 2hc4A1 ILE 410 HD13 -0.31 -0.01 -0.05 -0.04 0.88 0.47 2hc4A1 GLN 411 H -0.05 0.45 -0.22 -0.55 8.47 8.10 2hc4A1 GLN 411 HA -0.01 -0.01 0.42 -0.75 4.36 4.00 2hc4A1 GLN 411 HB2 -0.01 0.02 0.14 -0.04 2.15 2.26 2hc4A1 GLN 411 HB3 -0.01 0.26 0.18 -0.04 2.02 2.41 2hc4A1 GLN 411 HG2 0.01 -0.01 -0.01 -0.04 2.40 2.35 2hc4A1 GLN 411 HG3 0.02 -0.01 -0.21 -0.04 2.39 2.15 2hc4A1 GLN 411 HE21 0.01 -0.01 0.00 -0.04 6.97 6.94 2hc4A1 GLN 411 HE22 0.02 0.01 -0.02 -0.04 7.69 7.66 2hc4A1 LYS 412 H -0.00 0.37 -0.43 -0.55 8.42 7.80 2hc4A1 LYS 412 HA 0.17 -0.01 0.44 -0.75 4.32 4.16 2hc4A1 LYS 412 HB2 0.03 0.27 0.16 -0.04 1.87 2.30 2hc4A1 LYS 412 HB3 0.21 -0.05 0.01 -0.04 1.79 1.92 2hc4A1 LYS 412 HG2 -0.03 0.22 0.03 -0.04 1.46 1.64 2hc4A1 LYS 412 HG3 -0.08 -0.02 -0.02 -0.04 1.46 1.29 2hc4A1 LYS 412 HD2 -0.20 -0.01 0.01 -0.04 1.69 1.45 2hc4A1 LYS 412 HD3 0.08 -0.06 -0.04 -0.04 1.68 1.62 2hc4A1 LYS 412 HE2 -0.06 0.03 -0.11 -0.04 2.99 2.80 2hc4A1 LYS 412 HE3 -0.20 0.02 -0.26 -0.04 2.99 2.51 2hc4A1 LEU 413 H 0.01 0.40 -0.28 -0.55 8.37 7.95 2hc4A1 LEU 413 HA 0.01 0.04 0.44 -0.75 4.35 4.09 2hc4A1 LEU 413 HB2 -0.02 0.19 0.17 -0.04 1.64 1.94 2hc4A1 LEU 413 HB3 -0.02 -0.03 0.04 -0.04 1.64 1.59 2hc4A1 LEU 413 HG -0.04 0.14 0.10 -0.04 1.64 1.81 2hc4A1 LEU 413 HD13 -0.04 -0.02 -0.05 -0.04 0.93 0.79 2hc4A1 LEU 413 HD23 -0.01 0.00 -0.01 -0.04 0.89 0.83 2hc4A1 ALA 414 H 0.01 0.37 -0.24 -0.55 8.40 7.99 2hc4A1 ALA 414 HA -0.01 0.04 0.48 -0.75 4.34 4.10 2hc4A1 ALA 414 HB3 0.00 0.04 0.11 -0.04 1.41 1.52 2hc4A1 ASP 415 H 0.04 0.43 -0.14 -0.55 8.40 8.19 2hc4A1 ASP 415 HA -0.00 0.00 0.45 -0.75 4.63 4.33 2hc4A1 ASP 415 HB2 0.20 0.17 0.12 -0.04 2.71 3.15 2hc4A1 ASP 415 HB3 0.11 -0.05 0.04 -0.04 2.70 2.76 2hc4A1 LEU 416 H -0.08 0.45 -0.32 -0.55 8.37 7.87 2hc4A1 LEU 416 HA -0.35 -0.02 0.42 -0.75 4.35 3.64 2hc4A1 LEU 416 HB2 -0.09 0.24 0.19 -0.04 1.64 1.94 2hc4A1 LEU 416 HB3 -0.14 -0.06 0.03 -0.04 1.64 1.43 2hc4A1 LEU 416 HG -0.20 0.19 0.05 -0.04 1.64 1.64 2hc4A1 LEU 416 HD13 0.00 -0.02 -0.06 -0.04 0.93 0.81 2hc4A1 LEU 416 HD23 -0.60 -0.03 -0.02 -0.04 0.89 0.21 2hc4A1 ARG 417 H -0.06 0.38 -0.23 -0.55 8.46 8.00 2hc4A1 ARG 417 HA -0.05 0.07 0.44 -0.75 4.34 4.05 2hc4A1 ARG 417 HB2 -0.03 0.16 0.20 -0.04 1.90 2.19 2hc4A1 ARG 417 HB3 -0.02 -0.05 0.05 -0.04 1.80 1.73 2hc4A1 ARG 417 HG2 -0.02 0.16 0.12 -0.04 1.67 1.88 2hc4A1 ARG 417 HG3 -0.02 -0.05 0.06 -0.04 1.67 1.62 2hc4A1 ARG 417 HD2 -0.02 -0.01 0.07 -0.04 3.22 3.23 2hc4A1 ARG 417 HD3 -0.04 -0.05 -0.02 -0.04 3.22 3.08 2hc4A1 SER 418 H -0.05 0.40 -0.20 -0.55 8.46 8.07 2hc4A1 SER 418 HA -0.03 0.01 0.45 -0.75 4.49 4.18 2hc4A1 SER 418 HB2 -0.04 0.14 0.13 -0.04 3.95 4.15 2hc4A1 SER 418 HB3 -0.02 -0.06 0.06 -0.04 3.93 3.87 2hc4A1 LEU 419 H -0.11 0.56 -0.09 -0.55 8.37 8.18 2hc4A1 LEU 419 HA -0.07 -0.02 0.45 -0.75 4.35 3.97 2hc4A1 LEU 419 HB2 -0.23 0.12 0.14 -0.04 1.64 1.63 2hc4A1 LEU 419 HB3 -0.17 -0.06 -0.02 -0.04 1.64 1.35 2hc4A1 LEU 419 HG -0.17 0.22 0.01 -0.04 1.64 1.66 2hc4A1 LEU 419 HD13 -0.47 -0.01 -0.10 -0.04 0.93 0.31 2hc4A1 LEU 419 HD23 -0.05 -0.04 -0.12 -0.04 0.89 0.64 2hc4A1 ASN 420 H -0.09 0.72 -0.20 -0.55 8.53 8.41 2hc4A1 ASN 420 HA -0.07 -0.04 0.35 -0.75 4.76 4.24 2hc4A1 ASN 420 HB2 -0.07 0.06 0.14 -0.04 2.88 2.96 2hc4A1 ASN 420 HB3 -0.04 0.16 0.24 -0.04 2.79 3.10 2hc4A1 ASN 420 HD21 -0.00 0.34 0.18 -0.04 7.03 7.51 2hc4A1 ASN 420 HD22 -0.03 -0.06 0.10 -0.04 7.74 7.70 2hc4A1 GLU 421 H -0.03 0.59 -0.08 -0.55 8.60 8.52 2hc4A1 GLU 421 HA -0.01 0.02 0.39 -0.75 4.29 3.93 2hc4A1 GLU 421 HB2 -0.02 0.14 0.20 -0.04 2.09 2.37 2hc4A1 GLU 421 HB3 -0.02 0.04 0.17 -0.04 1.99 2.14 2hc4A1 GLU 421 HG2 -0.01 -0.03 0.02 -0.04 2.34 2.28 2hc4A1 GLU 421 HG3 -0.01 -0.06 -0.05 -0.04 2.34 2.19 2hc4A1 GLU 422 H -0.02 0.63 -0.07 -0.55 8.60 8.60 2hc4A1 GLU 422 HA -0.01 -0.03 0.40 -0.75 4.29 3.89 2hc4A1 GLU 422 HB2 -0.01 0.07 0.15 -0.04 2.09 2.26 2hc4A1 GLU 422 HB3 -0.02 0.07 0.15 -0.04 1.99 2.15 2hc4A1 GLU 422 HG2 -0.00 0.19 -0.15 -0.04 2.34 2.34 2hc4A1 GLU 422 HG3 -0.00 -0.11 -0.20 -0.04 2.34 1.99 2hc4A1 HIS 423 H 0.01 0.76 -0.09 -0.55 8.41 8.55 2hc4A1 HIS 423 HA -0.12 -0.09 0.38 -0.75 4.63 4.05 2hc4A1 HIS 423 HB2 -0.22 -0.05 0.08 -0.04 3.26 3.03 2hc4A1 HIS 423 HB3 -0.19 0.18 0.16 -0.04 3.20 3.30 2hc4A1 HIS 423 HD2 -0.48 -0.05 -0.04 -0.04 6.97 6.35 2hc4A1 HIS 423 HE1 -1.56 0.04 -0.08 -0.04 7.75 6.11 2hc4A1 SER 424 H -0.02 0.68 -0.15 -0.55 8.46 8.42 2hc4A1 SER 424 HA -0.15 0.01 0.40 -0.75 4.49 3.99 2hc4A1 SER 424 HB2 -0.02 0.18 0.22 -0.04 3.95 4.29 2hc4A1 SER 424 HB3 -0.02 -0.08 -0.02 -0.04 3.93 3.77 2hc4A1 LYS 425 H -0.05 0.47 -0.16 -0.55 8.42 8.13 2hc4A1 LYS 425 HA -0.02 0.02 0.48 -0.75 4.32 4.04 2hc4A1 LYS 425 HB2 -0.02 0.14 0.24 -0.04 1.87 2.20 2hc4A1 LYS 425 HB3 -0.01 -0.08 0.02 -0.04 1.79 1.68 2hc4A1 LYS 425 HG2 0.00 -0.03 0.06 -0.04 1.46 1.44 2hc4A1 LYS 425 HG3 -0.01 0.13 0.05 -0.04 1.46 1.60 2hc4A1 LYS 425 HD2 0.00 -0.04 0.01 -0.04 1.69 1.62 2hc4A1 LYS 425 HD3 0.00 -0.02 0.00 -0.04 1.68 1.62 2hc4A1 LYS 425 HE2 -0.00 0.04 -0.07 -0.04 2.99 2.91 2hc4A1 LYS 425 HE3 -0.00 -0.01 0.03 -0.04 2.99 2.97 2hc4A1 GLN 426 H -0.05 0.53 0.05 -0.55 8.47 8.46 2hc4A1 GLN 426 HA -0.05 -0.03 0.45 -0.75 4.36 3.97 2hc4A1 GLN 426 HB2 0.11 0.12 0.17 -0.04 2.15 2.52 2hc4A1 GLN 426 HB3 0.09 0.05 0.09 -0.04 2.02 2.21 2hc4A1 GLN 426 HG2 0.03 -0.03 0.09 -0.04 2.40 2.45 2hc4A1 GLN 426 HG3 0.02 0.09 0.10 -0.04 2.39 2.56 2hc4A1 GLN 426 HE21 0.05 -0.19 -0.05 -0.04 6.97 6.74 2hc4A1 GLN 426 HE22 0.03 0.12 -0.08 -0.04 7.69 7.72 2hc4A1 TYR 427 H -0.17 0.72 -0.18 -0.55 8.29 8.11 2hc4A1 TYR 427 HA -0.24 0.00 0.43 -0.75 4.56 4.00 2hc4A1 TYR 427 HB2 -0.80 -0.02 0.04 -0.04 3.06 2.25 2hc4A1 TYR 427 HB3 -0.39 0.11 0.12 -0.04 2.98 2.79 2hc4A1 TYR 427 HD2 -0.12 0.02 -0.10 -0.04 7.15 6.91 2hc4A1 TYR 427 HE2 0.07 0.01 -0.14 -0.04 6.85 6.74 2hc4A1 ARG 428 H -0.11 0.61 -0.10 -0.55 8.46 8.30 2hc4A1 ARG 428 HA -0.49 0.01 0.41 -0.75 4.34 3.52 2hc4A1 ARG 428 HB2 -0.10 0.23 0.25 -0.04 1.90 2.24 2hc4A1 ARG 428 HB3 -0.12 0.02 0.15 -0.04 1.80 1.81 2hc4A1 ARG 428 HG2 -0.79 -0.06 -0.01 -0.04 1.67 0.76 2hc4A1 ARG 428 HG3 -0.23 0.00 0.07 -0.04 1.67 1.47 2hc4A1 ARG 428 HD2 0.18 -0.03 0.00 -0.04 3.22 3.33 2hc4A1 ARG 428 HD3 0.25 -0.05 0.01 -0.04 3.22 3.38 2hc4A1 SER 429 H -0.16 0.41 -0.18 -0.55 8.46 7.99 2hc4A1 SER 429 HA 0.04 -0.01 0.41 -0.75 4.49 4.17 2hc4A1 SER 429 HB2 -0.08 0.14 0.14 -0.04 3.95 4.10 2hc4A1 SER 429 HB3 -0.00 -0.07 0.05 -0.04 3.93 3.87 2hc4A1 LEU 430 H -0.24 0.49 -0.06 -0.55 8.37 8.02 2hc4A1 LEU 430 HA -0.04 -0.04 0.44 -0.75 4.35 3.96 2hc4A1 LEU 430 HB2 -0.29 0.13 0.21 -0.04 1.64 1.64 2hc4A1 LEU 430 HB3 -0.44 0.11 0.13 -0.04 1.64 1.40 2hc4A1 LEU 430 HG -0.17 -0.06 -0.08 -0.04 1.64 1.29 2hc4A1 LEU 430 HD13 -0.27 -0.01 0.07 -0.04 0.93 0.68 2hc4A1 LEU 430 HD23 -0.23 0.00 -0.01 -0.04 0.89 0.62 2hc4A1 SER 431 H -0.57 0.74 -0.22 -0.55 8.46 7.87 2hc4A1 SER 431 HA -0.33 -0.04 0.37 -0.75 4.49 3.74 2hc4A1 SER 431 HB2 -0.99 -0.03 0.03 -0.04 3.95 2.92 2hc4A1 SER 431 HB3 -0.73 0.12 0.21 -0.04 3.93 3.49 2hc4A1 PHE 432 H -0.27 0.45 -0.16 -0.55 8.34 7.81 2hc4A1 PHE 432 HA -0.05 0.05 0.52 -0.75 4.62 4.38 2hc4A1 PHE 432 HB2 -0.05 0.08 0.12 -0.04 3.15 3.25 2hc4A1 PHE 432 HB3 -0.04 -0.11 0.11 -0.04 3.06 2.98 2hc4A1 PHE 432 HD2 -0.03 -0.02 -0.04 -0.04 7.28 7.14 2hc4A1 PHE 432 HE2 -0.01 -0.05 -0.03 -0.04 7.38 7.24 2hc4A1 PHE 432 HZ 0.00 -0.04 -0.00 -0.04 7.32 7.24 2hc4A1 GLN 433 H 0.00 0.41 -0.38 -0.55 8.47 7.95 2hc4A1 GLN 433 HA -0.04 0.15 0.85 -0.75 4.36 4.57 2hc4A1 GLN 433 HB2 -0.05 0.16 0.24 -0.04 2.15 2.45 2hc4A1 GLN 433 HB3 -0.33 -0.15 0.10 -0.04 2.02 1.59 2hc4A1 GLN 433 HG2 -0.06 -0.04 0.02 -0.04 2.40 2.27 2hc4A1 GLN 433 HG3 0.02 0.08 -0.05 -0.04 2.39 2.39 2hc4A1 GLN 433 HE21 0.03 -0.02 -0.01 -0.04 6.97 6.93 2hc4A1 GLN 433 HE22 -0.08 -0.03 0.01 -0.04 7.69 7.54 2hc4A1 PRO 434 HA -0.01 0.08 0.38 -0.51 4.44 4.38 2hc4A1 PRO 434 HB2 -0.02 0.02 -0.01 -0.04 2.28 2.23 2hc4A1 PRO 434 HB3 -0.01 0.06 0.09 -0.04 2.02 2.13 2hc4A1 PRO 434 HG2 -0.05 -0.05 0.11 -0.04 2.03 2.01 2hc4A1 PRO 434 HG3 -0.02 0.05 0.10 -0.04 2.03 2.12 2hc4A1 PRO 434 HD2 -0.04 0.06 0.36 -0.04 3.68 4.02 2hc4A1 PRO 434 HD3 0.00 0.33 0.19 -0.04 3.65 4.13 2hc4A1 GLU 435 H -0.13 0.11 -0.24 -0.55 8.60 7.79 2hc4A1 GLU 435 HA -0.03 0.07 0.35 -0.75 4.29 3.92 2hc4A1 GLU 435 HB2 -0.06 0.05 0.06 -0.04 2.09 2.10 2hc4A1 GLU 435 HB3 -0.10 -0.04 0.08 -0.04 1.99 1.89 2hc4A1 GLU 435 HG2 -0.71 0.07 -0.14 -0.04 2.34 1.52 2hc4A1 GLU 435 HG3 -0.30 0.03 -0.06 -0.04 2.34 1.97 2hc4A1 HIS 436 H -0.12 0.35 -0.33 -0.55 8.41 7.76 2hc4A1 HIS 436 HA -0.03 0.14 0.75 -0.75 4.63 4.73 2hc4A1 HIS 436 HB2 -0.08 0.30 0.25 -0.04 3.26 3.69 2hc4A1 HIS 436 HB3 -0.08 -0.03 0.04 -0.04 3.20 3.08 2hc4A1 HIS 436 HD2 -0.07 0.05 0.07 -0.04 6.97 6.97 2hc4A1 HIS 436 HE1 -0.02 -0.01 -0.09 -0.04 7.75 7.58 2hc4A1 SER 437 H 0.01 0.66 0.15 -0.55 8.46 8.74 2hc4A1 SER 437 HA -0.02 0.00 0.33 -0.75 4.49 4.05 2hc4A1 SER 437 HB2 -0.02 -0.07 0.06 -0.04 3.95 3.88 2hc4A1 SER 437 HB3 -0.04 0.23 0.04 -0.04 3.93 4.12 2hc4A1 MET 438 H 0.01 0.46 -0.45 -0.55 8.47 7.94 2hc4A1 MET 438 HA 0.01 0.01 0.40 -0.75 4.52 4.18 2hc4A1 MET 438 HB2 0.01 -0.09 0.09 -0.04 2.15 2.11 2hc4A1 MET 438 HB3 0.00 0.02 0.07 -0.04 2.03 2.08 2hc4A1 MET 438 HG2 0.02 0.17 -0.14 -0.04 2.63 2.64 2hc4A1 MET 438 HG3 0.02 0.01 -0.31 -0.04 2.56 2.23 2hc4A1 MET 438 HE3 0.01 -0.02 -0.02 -0.04 2.10 2.03 2hc4A1 GLN 439 H 0.03 0.55 -0.52 -0.55 8.47 7.98 2hc4A1 GLN 439 HA 0.01 0.06 0.67 -0.75 4.36 4.35 2hc4A1 GLN 439 HB2 0.02 0.22 0.11 -0.04 2.15 2.46 2hc4A1 GLN 439 HB3 0.01 -0.13 0.03 -0.04 2.02 1.89 2hc4A1 GLN 439 HG2 0.04 0.05 0.01 -0.04 2.40 2.46 2hc4A1 GLN 439 HG3 0.04 -0.00 0.10 -0.04 2.39 2.48 2hc4A1 GLN 439 HE21 0.02 -0.07 0.03 -0.04 6.97 6.91 2hc4A1 GLN 439 HE22 0.03 0.05 0.04 -0.04 7.69 7.78 2hc4A1 LEU 440 H 0.02 0.29 -0.26 -0.55 8.37 7.87 2hc4A1 LEU 440 HA 0.01 0.02 0.46 -0.75 4.35 4.09 2hc4A1 LEU 440 HB2 0.05 0.13 0.01 -0.04 1.64 1.80 2hc4A1 LEU 440 HB3 0.09 -0.20 0.12 -0.04 1.64 1.61 2hc4A1 LEU 440 HG 0.02 0.09 0.02 -0.04 1.64 1.73 2hc4A1 LEU 440 HD13 0.06 -0.00 -0.07 -0.04 0.93 0.88 2hc4A1 LEU 440 HD23 0.08 -0.01 -0.09 -0.04 0.89 0.83 2hc4A1 THR 441 H 0.01 0.04 0.14 -0.55 8.28 7.92 2hc4A1 THR 441 HA -0.01 0.38 0.93 -0.75 4.39 4.93 2hc4A1 THR 441 HB -0.04 0.01 0.11 -0.04 4.32 4.36 2hc4A1 THR 441 HG23 -0.07 0.04 -0.14 -0.04 1.22 1.01 2hc4A1 PRO 442 HA -0.00 0.12 0.39 -0.51 4.44 4.44 2hc4A1 PRO 442 HB2 -0.02 -0.04 0.12 -0.04 2.28 2.31 2hc4A1 PRO 442 HB3 -0.01 0.06 0.07 -0.04 2.02 2.11 2hc4A1 PRO 442 HG2 -0.01 0.05 0.09 -0.04 2.03 2.13 2hc4A1 PRO 442 HG3 -0.00 0.10 0.07 -0.04 2.03 2.16 2hc4A1 PRO 442 HD2 -0.02 0.07 0.21 -0.04 3.68 3.91 2hc4A1 PRO 442 HD3 -0.01 0.29 0.21 -0.04 3.65 4.09 2hc4A1 LEU 443 H -0.04 0.15 -0.13 -0.55 8.37 7.80 2hc4A1 LEU 443 HA -0.07 0.08 0.36 -0.75 4.35 3.97 2hc4A1 LEU 443 HB2 -0.06 0.03 0.08 -0.04 1.64 1.64 2hc4A1 LEU 443 HB3 -0.08 -0.03 0.06 -0.04 1.64 1.55 2hc4A1 LEU 443 HG -0.15 0.01 -0.24 -0.04 1.64 1.22 2hc4A1 LEU 443 HD13 -0.09 -0.01 0.01 -0.04 0.93 0.80 2hc4A1 LEU 443 HD23 -0.09 0.03 -0.02 -0.04 0.89 0.77 2hc4A1 VAL 444 H -0.07 0.06 -0.22 -0.55 8.24 7.46 2hc4A1 VAL 444 HA -0.28 0.06 0.39 -0.75 4.13 3.54 2hc4A1 VAL 444 HB 0.02 -0.09 0.17 -0.04 2.12 2.18 2hc4A1 VAL 444 HG13 0.26 0.03 -0.12 -0.04 0.97 1.10 2hc4A1 VAL 444 HG23 -0.07 0.01 0.02 -0.04 0.95 0.87 2hc4A1 LEU 445 H 0.02 0.63 -0.13 -0.55 8.37 8.34 2hc4A1 LEU 445 HA 0.19 0.04 0.34 -0.75 4.35 4.16 2hc4A1 LEU 445 HB2 0.03 0.09 0.11 -0.04 1.64 1.83 2hc4A1 LEU 445 HB3 0.06 -0.05 -0.03 -0.04 1.64 1.58 2hc4A1 LEU 445 HG 0.08 -0.06 -0.06 -0.04 1.64 1.55 2hc4A1 LEU 445 HD13 0.03 0.02 -0.23 -0.04 0.93 0.71 2hc4A1 LEU 445 HD23 0.09 0.01 -0.02 -0.04 0.89 0.92 2hc4A1 GLU 446 H -0.04 0.42 -0.21 -0.55 8.60 8.23 2hc4A1 GLU 446 HA -0.00 0.03 0.45 -0.75 4.29 4.01 2hc4A1 GLU 446 HB2 -0.03 0.07 0.10 -0.04 2.09 2.19 2hc4A1 GLU 446 HB3 -0.06 0.02 0.07 -0.04 1.99 1.97 2hc4A1 GLU 446 HG2 -0.02 0.04 -0.00 -0.04 2.34 2.32 2hc4A1 GLU 446 HG3 -0.01 -0.03 0.02 -0.04 2.34 2.27 2hc4A1 VAL 447 H -0.19 0.59 0.04 -0.55 8.24 8.13 2hc4A1 VAL 447 HA -0.13 0.06 0.48 -0.75 4.13 3.78 2hc4A1 VAL 447 HB -0.60 0.02 0.11 -0.04 2.12 1.61 2hc4A1 VAL 447 HG13 -0.43 -0.02 -0.11 -0.04 0.97 0.38 2hc4A1 VAL 447 HG23 -0.18 -0.02 0.00 -0.04 0.95 0.71 2hc4A1 PHE 448 H -0.20 0.48 -0.15 -0.55 8.34 7.92 2hc4A1 PHE 448 HA -0.16 0.20 0.80 -0.75 4.62 4.71 2hc4A1 PHE 448 HB2 -0.60 0.11 0.03 -0.04 3.15 2.64 2hc4A1 PHE 448 HB3 -1.05 -0.07 0.11 -0.04 3.06 2.01 2hc4A1 PHE 448 HD2 -0.29 0.10 -0.04 -0.04 7.28 7.00 2hc4A1 PHE 448 HE2 -0.16 -0.08 -0.06 -0.04 7.38 7.04 2hc4A1 PHE 448 HZ -0.22 -0.05 -0.11 -0.04 7.32 6.90 2hc4A1 GLY 449 H 0.05 0.18 -0.53 -0.55 8.43 7.59 2hc4A1 GLY 449 HA2 0.16 0.03 0.58 -0.51 4.01 4.27 2hc4A1 GLY 449 HA3 0.09 0.08 0.34 -0.51 4.01 4.00 2hc4A1 SER 450 H 0.08 0.10 0.12 -0.55 8.46 8.21 2hc4A1 SER 450 HA 0.06 0.24 0.60 -0.75 4.49 4.63 2hc4A1 SER 450 HB2 0.06 -0.04 0.13 -0.04 3.95 4.06 2hc4A1 SER 450 HB3 0.08 0.05 0.05 -0.04 3.93 4.06 2hc4A1 GLU 451 H 0.05 0.10 -0.27 -0.55 8.60 7.94 2hc4A1 GLU 451 HA 0.03 0.06 0.57 -0.75 4.29 4.21 2hc4A1 VAL 452 H 0.02 0.23 0.06 -0.55 8.24 8.00 2hc4A1 VAL 452 HA 0.01 0.28 0.69 -0.75 4.13 4.36