============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. TYR 12 0.840 39.838 -70.746 -1.668 -99.200 -91.000 HIS 35 0.900 26.370 -74.043 -3.941 -99.200 -91.000 PHE 39 1.000 28.706 -78.815 -9.733 -99.200 -91.000 TYR 53 0.840 50.974 -80.512 -14.805 -99.200 -91.000 PHE 75 1.000 44.566 -81.227 3.583 -99.200 -91.000 PHE 87 1.000 54.332-109.138 6.429 -99.200 -91.000 PHE 99 1.000 39.603 -93.485 -0.829 -99.200 -91.000 PHE 111 1.000 47.956 -82.701 -1.344 -99.200 -91.000 PHE 147 1.000 26.140 -97.063 -3.992 -99.200 -91.000 PHE 175 1.000 43.263 -89.027 -8.877 -99.200 -91.000 HIS 196 0.900 54.128 -66.544 2.827 -99.200 -91.000 TYR 241 0.840 64.227 -50.617 12.279 -99.200 -91.000 PHE 247 1.000 62.274 -58.437 2.998 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3h4mB1 ALA 158 HA 0.02 -0.07 0.12 -0.75 4.34 3.65 3h4mB1 ALA 158 HB3 0.01 -0.01 0.09 -0.04 1.41 1.46 3h4mB1 MET 159 H 0.01 0.32 0.04 -0.55 8.47 8.30 3h4mB1 MET 159 HA 0.02 -0.10 0.33 -0.75 4.52 4.02 3h4mB1 MET 159 HB2 -0.01 0.11 -0.07 -0.04 2.15 2.14 3h4mB1 MET 159 HB3 0.00 -0.08 0.28 -0.04 2.03 2.20 3h4mB1 MET 159 HG2 -0.00 -0.04 -0.14 -0.04 2.63 2.41 3h4mB1 MET 159 HG3 0.01 0.00 -0.84 -0.04 2.56 1.70 3h4mB1 MET 159 HE3 0.01 -0.01 -0.06 -0.04 2.10 1.99 3h4mB1 GLU 160 H 0.05 0.10 0.17 -0.55 8.60 8.37 3h4mB1 GLU 160 HA 0.04 0.09 0.56 -0.75 4.29 4.21 3h4mB1 GLU 160 HB2 0.10 -0.08 0.08 -0.04 2.09 2.15 3h4mB1 GLU 160 HB3 0.06 0.07 0.02 -0.04 1.99 2.10 3h4mB1 GLU 160 HG2 0.04 0.04 0.01 -0.04 2.34 2.39 3h4mB1 GLU 160 HG3 0.05 -0.06 0.07 -0.04 2.34 2.37 3h4mB1 VAL 161 H 0.04 0.18 0.24 -0.55 8.24 8.14 3h4mB1 VAL 161 HA 0.04 0.24 0.94 -0.75 4.13 4.59 3h4mB1 VAL 161 HB 0.02 -0.05 0.15 -0.04 2.12 2.20 3h4mB1 VAL 161 HG13 0.01 -0.01 -0.23 -0.04 0.97 0.70 3h4mB1 VAL 161 HG23 -0.00 0.04 -0.15 -0.04 0.95 0.79 3h4mB1 ASP 162 H 0.13 0.90 0.20 -0.55 8.40 9.08 3h4mB1 ASP 162 HA 0.05 0.17 0.96 -0.75 4.63 5.05 3h4mB1 ASP 162 HB2 0.11 -0.10 -0.13 -0.04 2.71 2.55 3h4mB1 ASP 162 HB3 0.18 -0.03 0.17 -0.04 2.70 2.98 3h4mB1 GLU 163 H 0.03 0.14 -0.02 -0.55 8.60 8.20 3h4mB1 GLU 163 HA 0.03 0.07 0.58 -0.75 4.29 4.22 3h4mB1 GLU 163 HB2 0.01 0.01 -0.07 -0.04 2.09 2.00 3h4mB1 GLU 163 HB3 0.01 0.06 0.07 -0.04 1.99 2.09 3h4mB1 GLU 163 HG2 0.02 -0.07 0.03 -0.04 2.34 2.28 3h4mB1 GLU 163 HG3 0.01 -0.01 0.03 -0.04 2.34 2.32 3h4mB1 ARG 164 H 0.01 0.15 0.03 -0.55 8.46 8.10 3h4mB1 ARG 164 HA -0.01 0.14 0.35 -0.75 4.34 4.07 3h4mB1 ARG 164 HB2 -0.02 0.03 0.05 -0.04 1.90 1.92 3h4mB1 ARG 164 HB3 -0.01 -0.03 0.02 -0.04 1.80 1.74 3h4mB1 ARG 164 HG2 -0.01 0.27 -0.09 -0.04 1.67 1.80 3h4mB1 ARG 164 HG3 -0.02 -0.07 0.07 -0.04 1.67 1.61 3h4mB1 ARG 164 HD2 -0.01 0.02 -0.04 -0.04 3.22 3.15 3h4mB1 ARG 164 HD3 -0.00 -0.03 -0.12 -0.04 3.22 3.03 3h4mB1 PRO 165 HA -0.08 0.05 0.58 -0.51 4.44 4.47 3h4mB1 PRO 165 HB2 -0.24 -0.10 -0.03 -0.04 2.28 1.86 3h4mB1 PRO 165 HB3 -0.18 -0.00 0.08 -0.04 2.02 1.88 3h4mB1 PRO 165 HG2 -0.07 -0.01 -0.11 -0.04 2.03 1.80 3h4mB1 PRO 165 HG3 0.02 0.01 -0.04 -0.04 2.03 1.97 3h4mB1 PRO 165 HD2 -0.00 0.12 0.14 -0.04 3.68 3.90 3h4mB1 PRO 165 HD3 0.05 0.22 0.13 -0.04 3.65 4.01 3h4mB1 ASN 166 H -0.11 0.08 -0.00 -0.55 8.53 7.95 3h4mB1 ASN 166 HA -0.09 0.32 0.89 -0.75 4.76 5.13 3h4mB1 ASN 166 HB2 -0.05 0.12 -0.20 -0.04 2.88 2.71 3h4mB1 ASN 166 HB3 -0.06 -0.06 0.14 -0.04 2.79 2.77 3h4mB1 ASN 166 HD21 -0.06 -0.06 -0.14 -0.04 7.03 6.73 3h4mB1 ASN 166 HD22 -0.08 0.09 -0.12 -0.04 7.74 7.59 3h4mB1 VAL 167 H -0.16 0.32 -0.17 -0.55 8.24 7.69 3h4mB1 VAL 167 HA -0.11 0.18 0.88 -0.75 4.13 4.32 3h4mB1 VAL 167 HB -0.20 -0.01 -0.31 -0.04 2.12 1.56 3h4mB1 VAL 167 HG13 -0.12 -0.00 -0.27 -0.04 0.97 0.54 3h4mB1 VAL 167 HG23 -0.17 -0.01 -0.21 -0.04 0.95 0.51 3h4mB1 ARG 168 H -0.11 0.18 0.06 -0.55 8.46 8.03 3h4mB1 ARG 168 HA -0.25 0.27 0.89 -0.75 4.34 4.49 3h4mB1 ARG 168 HB2 -0.08 0.04 0.03 -0.04 1.90 1.85 3h4mB1 ARG 168 HB3 -0.06 -0.12 -0.06 -0.04 1.80 1.51 3h4mB1 ARG 168 HG2 -0.07 0.00 -0.02 -0.04 1.67 1.54 3h4mB1 ARG 168 HG3 -0.11 0.11 -0.22 -0.04 1.67 1.41 3h4mB1 ARG 168 HD2 -0.04 -0.03 -0.06 -0.04 3.22 3.04 3h4mB1 ARG 168 HD3 -0.04 0.06 -0.07 -0.04 3.22 3.12 3h4mB1 TYR 169 H -0.34 0.26 0.12 -0.55 8.29 7.77 3h4mB1 TYR 169 HA -0.03 0.06 0.25 -0.75 4.56 4.09 3h4mB1 TYR 169 HB2 -0.01 -0.01 0.09 -0.04 3.06 3.08 3h4mB1 TYR 169 HB3 -0.01 0.02 0.00 -0.04 2.98 2.95 3h4mB1 TYR 169 HD2 -0.01 -0.02 -0.01 -0.04 7.15 7.07 3h4mB1 TYR 169 HE2 0.00 0.04 -0.07 -0.04 6.85 6.78 3h4mB1 GLU 170 H 0.07 0.09 -0.22 -0.55 8.60 7.99 3h4mB1 GLU 170 HA 0.03 0.03 0.31 -0.75 4.29 3.91 3h4mB1 GLU 170 HB2 -0.01 -0.05 -0.07 -0.04 2.09 1.91 3h4mB1 GLU 170 HB3 -0.01 0.06 -0.12 -0.04 1.99 1.88 3h4mB1 GLU 170 HG2 0.00 0.05 -0.02 -0.04 2.34 2.34 3h4mB1 GLU 170 HG3 0.01 0.01 0.02 -0.04 2.34 2.34 3h4mB1 ASP 171 H -0.03 0.68 -0.59 -0.55 8.40 7.91 3h4mB1 ASP 171 HA -0.08 0.15 0.67 -0.75 4.63 4.61 3h4mB1 ASP 171 HB2 -0.07 0.00 0.07 -0.04 2.71 2.67 3h4mB1 ASP 171 HB3 -0.11 -0.02 0.13 -0.04 2.70 2.65 3h4mB1 ILE 172 H 0.00 0.82 -0.25 -0.55 8.25 8.28 3h4mB1 ILE 172 HA -0.01 0.12 1.01 -0.75 4.18 4.54 3h4mB1 ILE 172 HB 0.06 0.06 0.11 -0.04 1.89 2.09 3h4mB1 ILE 172 HG12 -0.00 -0.05 -0.15 -0.04 1.49 1.25 3h4mB1 ILE 172 HG13 -0.01 0.02 -0.54 -0.04 1.21 0.63 3h4mB1 ILE 172 HG23 0.02 -0.05 -0.15 -0.04 0.93 0.72 3h4mB1 ILE 172 HD13 0.03 -0.01 -0.33 -0.04 0.88 0.52 3h4mB1 GLY 173 H -0.01 0.18 0.10 -0.55 8.43 8.15 3h4mB1 GLY 173 HA2 -0.01 0.18 0.67 -0.51 4.01 4.35 3h4mB1 GLY 173 HA3 -0.01 0.03 0.19 -0.51 4.01 3.71 3h4mB1 GLY 174 H -0.00 0.18 0.10 -0.55 8.43 8.16 3h4mB1 GLY 174 HA2 -0.00 -0.11 0.47 -0.51 4.01 3.86 3h4mB1 GLY 174 HA3 0.00 0.25 0.61 -0.51 4.01 4.36 3h4mB1 LEU 175 H 0.00 0.30 -0.84 -0.55 8.37 7.28 3h4mB1 LEU 175 HA -0.01 0.14 0.27 -0.75 4.35 4.00 3h4mB1 LEU 175 HB2 0.01 0.10 -0.07 -0.04 1.64 1.63 3h4mB1 LEU 175 HB3 -0.01 -0.09 0.07 -0.04 1.64 1.57 3h4mB1 LEU 175 HG -0.00 -0.01 -0.10 -0.04 1.64 1.49 3h4mB1 LEU 175 HD13 0.01 0.05 -0.08 -0.04 0.93 0.86 3h4mB1 LEU 175 HD23 -0.02 0.03 -0.12 -0.04 0.89 0.74 3h4mB1 GLU 176 H -0.01 0.15 -0.43 -0.55 8.60 7.76 3h4mB1 GLU 176 HA -0.02 0.10 0.40 -0.75 4.29 4.02 3h4mB1 GLU 176 HB2 -0.01 0.05 0.13 -0.04 2.09 2.22 3h4mB1 GLU 176 HB3 -0.01 0.06 0.05 -0.04 1.99 2.04 3h4mB1 GLU 176 HG2 -0.01 -0.04 0.02 -0.04 2.34 2.27 3h4mB1 GLU 176 HG3 -0.01 0.02 0.02 -0.04 2.34 2.33 3h4mB1 LYS 177 H -0.01 0.13 -0.09 -0.55 8.42 7.89 3h4mB1 LYS 177 HA -0.02 0.13 0.42 -0.75 4.32 4.09 3h4mB1 LYS 177 HB2 -0.01 -0.00 0.09 -0.04 1.87 1.90 3h4mB1 LYS 177 HB3 -0.01 0.07 0.00 -0.04 1.79 1.81 3h4mB1 LYS 177 HG2 -0.01 0.03 -0.00 -0.04 1.46 1.44 3h4mB1 LYS 177 HG3 -0.01 -0.04 0.02 -0.04 1.46 1.39 3h4mB1 LYS 177 HD2 -0.00 0.01 0.01 -0.04 1.69 1.67 3h4mB1 LYS 177 HD3 -0.00 0.04 0.01 -0.04 1.68 1.69 3h4mB1 LYS 177 HE2 -0.01 0.02 -0.00 -0.04 2.99 2.96 3h4mB1 LYS 177 HE3 -0.01 -0.04 0.01 -0.04 2.99 2.91 3h4mB1 GLN 178 H -0.02 0.12 -0.10 -0.55 8.47 7.93 3h4mB1 GLN 178 HA -0.01 0.14 0.69 -0.75 4.36 4.42 3h4mB1 GLN 178 HB2 -0.01 0.00 -0.04 -0.04 2.15 2.07 3h4mB1 GLN 178 HB3 -0.03 0.10 0.08 -0.04 2.02 2.14 3h4mB1 GLN 178 HG2 -0.01 0.10 0.11 -0.04 2.40 2.56 3h4mB1 GLN 178 HG3 -0.02 0.02 -0.01 -0.04 2.39 2.34 3h4mB1 GLN 178 HE21 -0.04 -0.06 0.03 -0.04 6.97 6.86 3h4mB1 GLN 178 HE22 -0.06 0.43 0.19 -0.04 7.69 8.21 3h4mB1 MET 179 H -0.02 0.67 -0.14 -0.55 8.47 8.43 3h4mB1 MET 179 HA -0.03 0.04 0.41 -0.75 4.52 4.18 3h4mB1 MET 179 HB2 -0.02 0.05 -0.02 -0.04 2.15 2.11 3h4mB1 MET 179 HB3 -0.07 0.12 0.01 -0.04 2.03 2.05 3h4mB1 MET 179 HG2 -0.28 -0.02 -0.07 -0.04 2.63 2.22 3h4mB1 MET 179 HG3 -0.01 -0.03 -0.01 -0.04 2.56 2.47 3h4mB1 MET 179 HE3 -0.15 -0.00 -0.11 -0.04 2.10 1.79 3h4mB1 GLN 180 H -0.05 0.31 -0.15 -0.55 8.47 8.04 3h4mB1 GLN 180 HA -0.09 0.06 0.39 -0.75 4.36 3.96 3h4mB1 GLN 180 HB2 -0.05 0.03 0.11 -0.04 2.15 2.20 3h4mB1 GLN 180 HB3 -0.03 0.02 0.19 -0.04 2.02 2.15 3h4mB1 GLN 180 HG2 -0.02 -0.01 -0.01 -0.04 2.40 2.31 3h4mB1 GLN 180 HG3 -0.02 0.03 -0.19 -0.04 2.39 2.17 3h4mB1 GLN 180 HE21 -0.01 0.03 -0.01 -0.04 6.97 6.93 3h4mB1 GLN 180 HE22 -0.01 0.02 -0.07 -0.04 7.69 7.59 3h4mB1 GLU 181 H -0.02 0.40 -0.30 -0.55 8.60 8.13 3h4mB1 GLU 181 HA 0.01 0.05 0.32 -0.75 4.29 3.91 3h4mB1 GLU 181 HB2 0.01 0.05 0.16 -0.04 2.09 2.26 3h4mB1 GLU 181 HB3 0.01 0.06 0.16 -0.04 1.99 2.18 3h4mB1 GLU 181 HG2 0.03 -0.01 -0.23 -0.04 2.34 2.09 3h4mB1 GLU 181 HG3 0.03 -0.00 0.05 -0.04 2.34 2.37 3h4mB1 ILE 182 H -0.01 0.49 -0.26 -0.55 8.25 7.93 3h4mB1 ILE 182 HA 0.04 0.05 0.36 -0.75 4.18 3.87 3h4mB1 ILE 182 HB 0.02 0.08 0.09 -0.04 1.89 2.04 3h4mB1 ILE 182 HG12 0.05 -0.04 -0.06 -0.04 1.49 1.40 3h4mB1 ILE 182 HG13 0.03 0.19 0.00 -0.04 1.21 1.39 3h4mB1 ILE 182 HG23 0.08 -0.02 -0.18 -0.04 0.93 0.77 3h4mB1 ILE 182 HD13 0.08 -0.02 -0.13 -0.04 0.88 0.77 3h4mB1 ARG 183 H -0.05 0.52 -0.25 -0.55 8.46 8.12 3h4mB1 ARG 183 HA 0.01 -0.03 0.43 -0.75 4.34 4.00 3h4mB1 ARG 183 HB2 -0.11 0.11 0.17 -0.04 1.90 2.03 3h4mB1 ARG 183 HB3 -0.07 -0.02 0.03 -0.04 1.80 1.71 3h4mB1 ARG 183 HG2 -0.23 -0.03 0.01 -0.04 1.67 1.38 3h4mB1 ARG 183 HG3 -0.35 0.14 0.05 -0.04 1.67 1.47 3h4mB1 ARG 183 HD2 -1.22 -0.08 -0.05 -0.04 3.22 1.84 3h4mB1 ARG 183 HD3 -0.33 0.00 -0.04 -0.04 3.22 2.81 3h4mB1 GLU 184 H 0.01 0.47 -0.15 -0.55 8.60 8.38 3h4mB1 GLU 184 HA 0.10 0.08 0.55 -0.75 4.29 4.26 3h4mB1 GLU 184 HB2 0.07 0.01 0.04 -0.04 2.09 2.17 3h4mB1 GLU 184 HB3 0.04 -0.04 0.06 -0.04 1.99 2.00 3h4mB1 GLU 184 HG2 0.02 0.31 0.14 -0.04 2.34 2.77 3h4mB1 GLU 184 HG3 0.04 0.04 0.02 -0.04 2.34 2.41 3h4mB1 VAL 185 H 0.05 0.33 -0.22 -0.55 8.24 7.86 3h4mB1 VAL 185 HA 0.10 0.17 0.75 -0.75 4.13 4.39 3h4mB1 VAL 185 HB 0.05 0.23 0.15 -0.04 2.12 2.51 3h4mB1 VAL 185 HG13 0.04 -0.02 -0.11 -0.04 0.97 0.84 3h4mB1 VAL 185 HG23 0.07 -0.02 0.01 -0.04 0.95 0.96 3h4mB1 VAL 186 H 0.05 0.35 -0.08 -0.55 8.24 8.00 3h4mB1 VAL 186 HA -0.03 0.30 0.86 -0.75 4.13 4.51 3h4mB1 VAL 186 HB 0.01 0.08 -0.00 -0.04 2.12 2.17 3h4mB1 VAL 186 HG13 0.05 0.03 -0.14 -0.04 0.97 0.87 3h4mB1 VAL 186 HG23 0.05 -0.02 -0.22 -0.04 0.95 0.71 3h4mB1 GLU 187 H 0.06 0.19 0.20 -0.55 8.60 8.51 3h4mB1 GLU 187 HA 0.05 0.09 0.48 -0.75 4.29 4.16 3h4mB1 GLU 187 HB2 0.11 -0.11 0.16 -0.04 2.09 2.21 3h4mB1 GLU 187 HB3 0.07 0.21 0.25 -0.04 1.99 2.48 3h4mB1 GLU 187 HG2 0.07 0.02 -0.14 -0.04 2.34 2.25 3h4mB1 GLU 187 HG3 0.10 0.03 0.01 -0.04 2.34 2.45 3h4mB1 LEU 188 H 0.11 0.33 -0.12 -0.55 8.37 8.14 3h4mB1 LEU 188 HA 0.24 0.00 0.28 -0.75 4.35 4.13 3h4mB1 LEU 188 HB2 0.26 0.17 0.16 -0.04 1.64 2.19 3h4mB1 LEU 188 HB3 0.61 0.03 -0.06 -0.04 1.64 2.17 3h4mB1 LEU 188 HG 0.21 -0.03 -0.01 -0.04 1.64 1.77 3h4mB1 LEU 188 HD13 0.20 -0.01 -0.08 -0.04 0.93 1.00 3h4mB1 LEU 188 HD23 0.10 -0.01 0.01 -0.04 0.89 0.94 3h4mB1 PRO 189 HA -0.50 0.02 0.29 -0.51 4.44 3.73 3h4mB1 PRO 189 HB2 -0.26 0.10 -0.10 -0.04 2.28 1.98 3h4mB1 PRO 189 HB3 -0.64 0.01 0.03 -0.04 2.02 1.38 3h4mB1 PRO 189 HG2 -0.28 0.33 -0.09 -0.04 2.03 1.94 3h4mB1 PRO 189 HG3 -1.17 -0.01 0.01 -0.04 2.03 0.82 3h4mB1 PRO 189 HD2 -0.03 -0.05 -0.73 -0.04 3.68 2.83 3h4mB1 PRO 189 HD3 0.14 0.24 -0.15 -0.04 3.65 3.84 3h4mB1 LEU 190 H -0.05 0.33 -0.55 -0.55 8.37 7.54 3h4mB1 LEU 190 HA -0.06 0.06 0.29 -0.75 4.35 3.89 3h4mB1 LEU 190 HB2 -0.02 0.14 0.11 -0.04 1.64 1.84 3h4mB1 LEU 190 HB3 -0.03 0.02 -0.06 -0.04 1.64 1.53 3h4mB1 LEU 190 HG -0.01 -0.06 -0.09 -0.04 1.64 1.44 3h4mB1 LEU 190 HD13 -0.03 0.02 -0.06 -0.04 0.93 0.82 3h4mB1 LEU 190 HD23 -0.03 -0.00 -0.15 -0.04 0.89 0.67 3h4mB1 LYS 191 H -0.06 0.39 -0.13 -0.55 8.42 8.07 3h4mB1 LYS 191 HA -0.18 0.09 0.49 -0.75 4.32 3.97 3h4mB1 LYS 191 HB2 -0.37 0.03 0.14 -0.04 1.87 1.63 3h4mB1 LYS 191 HB3 -0.78 -0.11 0.04 -0.04 1.79 0.89 3h4mB1 LYS 191 HG2 -0.11 0.03 0.02 -0.04 1.46 1.36 3h4mB1 LYS 191 HG3 -0.06 0.13 0.04 -0.04 1.46 1.53 3h4mB1 LYS 191 HD2 0.03 -0.06 -0.08 -0.04 1.69 1.54 3h4mB1 LYS 191 HD3 -0.05 -0.07 -0.02 -0.04 1.68 1.50 3h4mB1 LYS 191 HE2 -0.01 0.02 -0.00 -0.04 2.99 2.96 3h4mB1 LYS 191 HE3 0.02 0.06 -0.11 -0.04 2.99 2.92 3h4mB1 HIS 192 H 0.04 0.60 -0.23 -0.55 8.41 8.29 3h4mB1 HIS 192 HA 0.07 0.17 0.98 -0.75 4.63 5.10 3h4mB1 HIS 192 HB2 0.19 0.01 0.17 -0.04 3.26 3.59 3h4mB1 HIS 192 HB3 0.08 -0.16 0.11 -0.04 3.20 3.19 3h4mB1 HIS 192 HD2 0.12 0.02 0.01 -0.04 6.97 7.08 3h4mB1 HIS 192 HE1 0.03 -0.02 -0.05 -0.04 7.75 7.67 3h4mB1 PRO 193 HA 0.08 0.13 0.48 -0.51 4.44 4.63 3h4mB1 PRO 193 HB2 0.04 -0.08 0.09 -0.04 2.28 2.29 3h4mB1 PRO 193 HB3 0.01 0.05 0.16 -0.04 2.02 2.19 3h4mB1 PRO 193 HG2 0.01 -0.00 0.11 -0.04 2.03 2.10 3h4mB1 PRO 193 HG3 -0.01 0.27 0.12 -0.04 2.03 2.37 3h4mB1 PRO 193 HD2 0.05 -0.03 0.13 -0.04 3.68 3.79 3h4mB1 PRO 193 HD3 0.00 0.36 -0.43 -0.04 3.65 3.53 3h4mB1 GLU 194 H 0.10 0.21 -0.10 -0.55 8.60 8.26 3h4mB1 GLU 194 HA 0.07 0.07 0.32 -0.75 4.29 3.99 3h4mB1 GLU 194 HB2 0.05 0.02 -0.04 -0.04 2.09 2.08 3h4mB1 GLU 194 HB3 0.04 0.02 0.11 -0.04 1.99 2.12 3h4mB1 GLU 194 HG2 0.05 0.02 0.05 -0.04 2.34 2.42 3h4mB1 GLU 194 HG3 0.05 0.04 0.08 -0.04 2.34 2.47 3h4mB1 LEU 195 H 0.16 0.20 -0.49 -0.55 8.37 7.70 3h4mB1 LEU 195 HA 0.01 0.03 0.45 -0.75 4.35 4.08 3h4mB1 LEU 195 HB2 0.05 -0.05 0.08 -0.04 1.64 1.67 3h4mB1 LEU 195 HB3 0.07 0.17 0.09 -0.04 1.64 1.94 3h4mB1 LEU 195 HG -0.17 -0.01 -0.10 -0.04 1.64 1.33 3h4mB1 LEU 195 HD13 -0.07 -0.01 0.01 -0.04 0.93 0.81 3h4mB1 LEU 195 HD23 -0.24 -0.00 -0.03 -0.04 0.89 0.58 3h4mB1 PHE 196 H 0.40 0.46 -0.01 -0.55 8.34 8.64 3h4mB1 PHE 196 HA 0.01 -0.03 0.53 -0.75 4.62 4.37 3h4mB1 PHE 196 HB2 0.02 0.13 0.23 -0.04 3.15 3.49 3h4mB1 PHE 196 HB3 0.01 0.21 0.13 -0.04 3.06 3.37 3h4mB1 PHE 196 HD2 0.04 0.20 0.01 -0.04 7.28 7.48 3h4mB1 PHE 196 HE2 0.05 -0.07 -0.29 -0.04 7.38 7.04 3h4mB1 PHE 196 HZ 0.03 0.14 0.01 -0.04 7.32 7.46 3h4mB1 GLU 197 H 0.15 0.53 -0.13 -0.55 8.60 8.61 3h4mB1 GLU 197 HA 0.07 0.05 0.47 -0.75 4.29 4.13 3h4mB1 GLU 197 HB2 0.06 0.05 0.08 -0.04 2.09 2.24 3h4mB1 GLU 197 HB3 0.06 -0.05 0.22 -0.04 1.99 2.17 3h4mB1 GLU 197 HG2 0.03 0.02 -0.25 -0.04 2.34 2.10 3h4mB1 GLU 197 HG3 0.03 -0.00 -0.00 -0.04 2.34 2.32 3h4mB1 LYS 198 H 0.04 0.69 0.10 -0.55 8.42 8.69 3h4mB1 LYS 198 HA 0.01 -0.00 0.30 -0.75 4.32 3.88 3h4mB1 LYS 198 HB2 0.01 0.07 0.12 -0.04 1.87 2.02 3h4mB1 LYS 198 HB3 0.00 -0.07 0.07 -0.04 1.79 1.75 3h4mB1 LYS 198 HG2 0.01 -0.06 0.04 -0.04 1.46 1.42 3h4mB1 LYS 198 HG3 0.02 -0.05 0.09 -0.04 1.46 1.48 3h4mB1 LYS 198 HD2 0.02 -0.07 0.02 -0.04 1.69 1.63 3h4mB1 LYS 198 HD3 0.03 0.10 -0.02 -0.04 1.68 1.75 3h4mB1 LYS 198 HE2 0.00 0.02 -0.01 -0.04 2.99 2.96 3h4mB1 LYS 198 HE3 0.01 -0.05 -0.01 -0.04 2.99 2.91 3h4mB1 VAL 199 H -0.01 0.49 -0.33 -0.55 8.24 7.85 3h4mB1 VAL 199 HA -0.03 -0.02 0.70 -0.75 4.13 4.03 3h4mB1 VAL 199 HB -0.09 -0.00 0.17 -0.04 2.12 2.16 3h4mB1 VAL 199 HG13 -0.06 -0.03 -0.18 -0.04 0.97 0.66 3h4mB1 VAL 199 HG23 -0.12 0.02 0.04 -0.04 0.95 0.85 3h4mB1 GLY 200 H 0.03 0.54 0.06 -0.55 8.43 8.52 3h4mB1 GLY 200 HA2 0.03 0.12 0.31 -0.51 4.01 3.96 3h4mB1 GLY 200 HA3 0.01 0.09 0.91 -0.51 4.01 4.52 3h4mB1 ILE 201 H 0.10 0.36 0.25 -0.55 8.25 8.41 3h4mB1 ILE 201 HA 0.06 0.14 0.80 -0.75 4.18 4.42 3h4mB1 ILE 201 HB 0.09 0.01 0.01 -0.04 1.89 1.96 3h4mB1 ILE 201 HG12 0.11 -0.03 0.07 -0.04 1.49 1.59 3h4mB1 ILE 201 HG13 0.33 0.04 -0.20 -0.04 1.21 1.34 3h4mB1 ILE 201 HG23 0.03 -0.01 -0.20 -0.04 0.93 0.71 3h4mB1 ILE 201 HD13 0.04 -0.02 -0.07 -0.04 0.88 0.80 3h4mB1 GLU 202 H 0.05 0.09 0.09 -0.55 8.60 8.28 3h4mB1 GLU 202 HA 0.02 0.13 0.53 -0.75 4.29 4.22 3h4mB1 GLU 202 HB2 0.01 -0.08 0.11 -0.04 2.09 2.09 3h4mB1 GLU 202 HB3 -0.02 0.13 0.04 -0.04 1.99 2.10 3h4mB1 GLU 202 HG2 0.02 -0.04 -0.02 -0.04 2.34 2.25 3h4mB1 GLU 202 HG3 0.01 -0.05 0.05 -0.04 2.34 2.31 3h4mB1 PRO 203 HA -0.08 0.05 0.50 -0.51 4.44 4.40 3h4mB1 PRO 203 HB2 -0.25 0.17 0.02 -0.04 2.28 2.18 3h4mB1 PRO 203 HB3 -0.69 -0.04 0.13 -0.04 2.02 1.38 3h4mB1 PRO 203 HG2 -0.15 0.03 -0.00 -0.04 2.03 1.86 3h4mB1 PRO 203 HG3 -0.29 0.01 0.08 -0.04 2.03 1.79 3h4mB1 PRO 203 HD2 -0.06 0.03 0.24 -0.04 3.68 3.84 3h4mB1 PRO 203 HD3 -0.10 0.20 0.28 -0.04 3.65 3.98 3h4mB1 PRO 204 HA -0.03 -0.00 0.60 -0.51 4.44 4.50 3h4mB1 PRO 204 HB2 -0.01 0.03 -0.02 -0.04 2.28 2.24 3h4mB1 PRO 204 HB3 0.01 -0.07 0.09 -0.04 2.02 2.00 3h4mB1 PRO 204 HG2 0.03 -0.04 0.09 -0.04 2.03 2.07 3h4mB1 PRO 204 HG3 0.02 0.02 0.08 -0.04 2.03 2.11 3h4mB1 PRO 204 HD2 -0.04 0.27 0.30 -0.04 3.68 4.16 3h4mB1 PRO 204 HD3 0.01 0.14 0.23 -0.04 3.65 3.99 3h4mB1 LYS 205 H -0.07 0.11 0.19 -0.55 8.42 8.10 3h4mB1 LYS 205 HA -0.08 0.10 0.51 -0.75 4.32 4.10 3h4mB1 LYS 205 HB2 -0.08 -0.05 0.15 -0.04 1.87 1.84 3h4mB1 LYS 205 HB3 -0.15 0.08 0.01 -0.04 1.79 1.69 3h4mB1 LYS 205 HG2 -0.07 -0.06 0.08 -0.04 1.46 1.37 3h4mB1 LYS 205 HG3 -0.06 -0.07 0.16 -0.04 1.46 1.44 3h4mB1 LYS 205 HD2 -0.07 -0.16 0.12 -0.04 1.69 1.53 3h4mB1 LYS 205 HD3 -0.07 0.30 0.12 -0.04 1.68 1.99 3h4mB1 LYS 205 HE2 -0.05 -0.07 0.07 -0.04 2.99 2.90 3h4mB1 LYS 205 HE3 -0.07 -0.17 0.04 -0.04 2.99 2.75 3h4mB1 GLY 206 H -0.10 0.09 0.06 -0.55 8.43 7.93 3h4mB1 GLY 206 HA2 -0.06 0.09 0.91 -0.51 4.01 4.44 3h4mB1 GLY 206 HA3 -0.46 0.02 0.25 -0.51 4.01 3.31 3h4mB1 ILE 207 H 0.17 0.56 0.37 -0.55 8.25 8.80 3h4mB1 ILE 207 HA 0.22 0.17 1.12 -0.75 4.18 4.93 3h4mB1 ILE 207 HB 0.11 -0.06 0.10 -0.04 1.89 1.99 3h4mB1 ILE 207 HG12 0.12 0.03 -0.08 -0.04 1.49 1.51 3h4mB1 ILE 207 HG13 0.14 -0.01 -0.56 -0.04 1.21 0.74 3h4mB1 ILE 207 HG23 0.07 0.03 -0.18 -0.04 0.93 0.81 3h4mB1 ILE 207 HD13 0.09 -0.02 -0.14 -0.04 0.88 0.77 3h4mB1 LEU 208 H 0.14 0.32 0.18 -0.55 8.37 8.46 3h4mB1 LEU 208 HA -0.01 0.24 1.11 -0.75 4.35 4.94 3h4mB1 LEU 208 HB2 0.02 0.08 -0.11 -0.04 1.64 1.58 3h4mB1 LEU 208 HB3 0.05 -0.05 0.14 -0.04 1.64 1.74 3h4mB1 LEU 208 HG -0.09 -0.07 -0.20 -0.04 1.64 1.24 3h4mB1 LEU 208 HD13 -0.65 0.03 -0.08 -0.04 0.93 0.19 3h4mB1 LEU 208 HD23 -0.14 0.01 -0.16 -0.04 0.89 0.55 3h4mB1 LEU 209 H 0.03 0.71 0.42 -0.55 8.37 8.99 3h4mB1 LEU 209 HA 0.06 0.33 0.93 -0.75 4.35 4.91 3h4mB1 LEU 209 HB2 0.13 0.08 0.11 -0.04 1.64 1.92 3h4mB1 LEU 209 HB3 0.10 -0.11 -0.02 -0.04 1.64 1.56 3h4mB1 LEU 209 HG 0.06 -0.03 -0.08 -0.04 1.64 1.56 3h4mB1 LEU 209 HD13 0.07 0.03 -0.20 -0.04 0.93 0.80 3h4mB1 LEU 209 HD23 0.18 -0.02 -0.12 -0.04 0.89 0.89 3h4mB1 TYR 210 H -0.12 0.54 0.34 -0.55 8.29 8.51 3h4mB1 TYR 210 HA 0.01 0.28 1.15 -0.75 4.56 5.25 3h4mB1 TYR 210 HB2 -0.00 -0.04 0.02 -0.04 3.06 2.99 3h4mB1 TYR 210 HB3 -0.01 0.01 -0.26 -0.04 2.98 2.67 3h4mB1 TYR 210 HD2 0.00 0.03 -0.30 -0.04 7.15 6.84 3h4mB1 TYR 210 HE2 0.01 0.07 -0.19 -0.04 6.85 6.71 3h4mB1 GLY 211 H 0.16 0.42 0.38 -0.55 8.43 8.84 3h4mB1 GLY 211 HA2 0.11 -0.01 0.34 -0.51 4.01 3.94 3h4mB1 GLY 211 HA3 -0.00 0.30 0.75 -0.51 4.01 4.55 3h4mB1 PRO 212 HA 0.04 0.05 0.37 -0.51 4.44 4.39 3h4mB1 PRO 212 HB2 0.02 0.13 0.03 -0.04 2.28 2.43 3h4mB1 PRO 212 HB3 0.03 0.04 0.16 -0.04 2.02 2.20 3h4mB1 PRO 212 HG2 0.02 0.04 -0.08 -0.04 2.03 1.97 3h4mB1 PRO 212 HG3 0.02 0.03 0.07 -0.04 2.03 2.11 3h4mB1 PRO 212 HD2 0.02 0.20 0.20 -0.04 3.68 4.06 3h4mB1 PRO 212 HD3 0.04 0.12 0.22 -0.04 3.65 3.99 3h4mB1 PRO 213 HA 0.04 -0.02 0.55 -0.51 4.44 4.50 3h4mB1 PRO 213 HB2 0.03 0.07 -0.00 -0.04 2.28 2.34 3h4mB1 PRO 213 HB3 0.04 -0.02 0.11 -0.04 2.02 2.10 3h4mB1 PRO 213 HG2 0.02 0.11 0.10 -0.04 2.03 2.22 3h4mB1 PRO 213 HG3 0.03 -0.00 0.10 -0.04 2.03 2.12 3h4mB1 PRO 213 HD2 0.02 0.17 0.22 -0.04 3.68 4.05 3h4mB1 PRO 213 HD3 0.03 0.10 0.26 -0.04 3.65 4.00 3h4mB1 GLY 214 H 0.04 0.04 0.20 -0.55 8.43 8.16 3h4mB1 GLY 214 HA2 0.02 0.00 0.32 -0.51 4.01 3.84 3h4mB1 GLY 214 HA3 0.02 0.14 0.58 -0.51 4.01 4.23 3h4mB1 THR 215 H 0.03 -0.06 0.06 -0.55 8.28 7.76 3h4mB1 THR 215 HA 0.02 0.12 0.80 -0.75 4.39 4.58 3h4mB1 THR 215 HB 0.02 -0.04 0.05 -0.04 4.32 4.31 3h4mB1 THR 215 HG23 0.00 0.20 -0.29 -0.04 1.22 1.09 3h4mB1 GLY 216 H 0.02 -0.26 0.17 -0.55 8.43 7.82 3h4mB1 GLY 216 HA2 0.00 0.02 0.20 -0.51 4.01 3.73 3h4mB1 GLY 216 HA3 0.01 0.32 0.72 -0.51 4.01 4.55 3h4mB1 LYS 217 H 0.04 -0.06 0.13 -0.55 8.42 7.97 3h4mB1 LYS 217 HA 0.07 0.17 0.24 -0.75 4.32 4.04 3h4mB1 LYS 217 HB2 0.15 -0.13 0.15 -0.04 1.87 1.99 3h4mB1 LYS 217 HB3 0.27 0.09 -0.04 -0.04 1.79 2.07 3h4mB1 LYS 217 HG2 0.09 0.06 -0.10 -0.04 1.46 1.47 3h4mB1 LYS 217 HG3 0.05 -0.01 -0.05 -0.04 1.46 1.41 3h4mB1 LYS 217 HD2 0.12 -0.08 -0.07 -0.04 1.69 1.61 3h4mB1 LYS 217 HD3 0.06 0.09 -0.29 -0.04 1.68 1.50 3h4mB1 LYS 217 HE2 0.05 0.28 -0.12 -0.04 2.99 3.16 3h4mB1 LYS 217 HE3 0.08 -0.38 0.07 -0.04 2.99 2.72 3h4mB1 THR 218 H -0.01 0.03 -0.04 -0.55 8.28 7.71 3h4mB1 THR 218 HA -1.00 0.12 0.31 -0.75 4.39 3.07 3h4mB1 THR 218 HB -0.12 -0.06 -0.00 -0.04 4.32 4.09 3h4mB1 THR 218 HG23 -0.26 0.04 -0.15 -0.04 1.22 0.81 3h4mB1 LEU 219 H -0.09 -0.11 -0.57 -0.55 8.37 7.06 3h4mB1 LEU 219 HA -0.15 0.06 0.23 -0.75 4.35 3.74 3h4mB1 LEU 219 HB2 -0.03 -0.13 0.04 -0.04 1.64 1.48 3h4mB1 LEU 219 HB3 -0.03 0.08 -0.13 -0.04 1.64 1.53 3h4mB1 LEU 219 HG -0.03 -0.09 -0.07 -0.04 1.64 1.40 3h4mB1 LEU 219 HD13 0.01 0.02 -0.05 -0.04 0.93 0.87 3h4mB1 LEU 219 HD23 -0.08 0.02 -0.08 -0.04 0.89 0.71 3h4mB1 LEU 220 H -0.02 0.73 -0.04 -0.55 8.37 8.50 3h4mB1 LEU 220 HA 0.07 0.00 0.35 -0.75 4.35 4.02 3h4mB1 LEU 220 HB2 0.06 0.08 0.05 -0.04 1.64 1.78 3h4mB1 LEU 220 HB3 0.08 -0.01 -0.07 -0.04 1.64 1.60 3h4mB1 LEU 220 HG 0.03 0.02 -0.02 -0.04 1.64 1.63 3h4mB1 LEU 220 HD13 0.03 -0.02 -0.18 -0.04 0.93 0.72 3h4mB1 LEU 220 HD23 0.07 -0.01 -0.08 -0.04 0.89 0.82 3h4mB1 ALA 221 H -0.03 0.44 -0.22 -0.55 8.40 8.04 3h4mB1 ALA 221 HA 0.15 0.03 0.31 -0.75 4.34 4.08 3h4mB1 ALA 221 HB3 0.17 0.02 0.02 -0.04 1.41 1.58 3h4mB1 LYS 222 H -0.23 0.57 -0.11 -0.55 8.42 8.09 3h4mB1 LYS 222 HA -0.47 0.05 0.18 -0.75 4.32 3.32 3h4mB1 LYS 222 HB2 -0.33 0.05 -0.01 -0.04 1.87 1.53 3h4mB1 LYS 222 HB3 -0.49 -0.06 -0.03 -0.04 1.79 1.17 3h4mB1 LYS 222 HG2 -1.71 -0.03 -0.04 -0.04 1.46 -0.36 3h4mB1 LYS 222 HG3 -0.53 0.01 -0.12 -0.04 1.46 0.78 3h4mB1 LYS 222 HD2 -0.50 -0.03 -0.07 -0.04 1.69 1.04 3h4mB1 LYS 222 HD3 -1.07 0.04 -0.07 -0.04 1.68 0.54 3h4mB1 LYS 222 HE2 -0.30 -0.08 -0.13 -0.04 2.99 2.43 3h4mB1 LYS 222 HE3 -0.24 -0.00 -0.11 -0.04 2.99 2.60 3h4mB1 ALA 223 H -0.11 0.47 -0.42 -0.55 8.40 7.80 3h4mB1 ALA 223 HA -0.28 0.25 0.33 -0.75 4.34 3.88 3h4mB1 ALA 223 HB3 -0.24 -0.02 -0.07 -0.04 1.41 1.03 3h4mB1 VAL 224 H 0.07 0.64 -0.06 -0.55 8.24 8.35 3h4mB1 VAL 224 HA 0.20 -0.03 0.39 -0.75 4.13 3.94 3h4mB1 VAL 224 HB 0.12 0.11 0.10 -0.04 2.12 2.41 3h4mB1 VAL 224 HG13 0.10 -0.01 -0.23 -0.04 0.97 0.79 3h4mB1 VAL 224 HG23 0.18 0.02 -0.06 -0.04 0.95 1.06 3h4mB1 ALA 225 H 0.08 0.65 -0.14 -0.55 8.40 8.44 3h4mB1 ALA 225 HA 0.07 -0.01 0.25 -0.75 4.34 3.90 3h4mB1 ALA 225 HB3 0.19 0.04 -0.01 -0.04 1.41 1.59 3h4mB1 THR 226 H -0.09 0.52 -0.28 -0.55 8.28 7.89 3h4mB1 THR 226 HA -0.05 0.08 0.42 -0.75 4.39 4.09 3h4mB1 THR 226 HB -0.19 0.11 0.26 -0.04 4.32 4.45 3h4mB1 THR 226 HG23 -0.10 0.01 -0.05 -0.04 1.22 1.05 3h4mB1 GLU 227 H -0.13 0.62 0.07 -0.55 8.60 8.61 3h4mB1 GLU 227 HA -0.04 -0.04 0.36 -0.75 4.29 3.82 3h4mB1 GLU 227 HB2 -0.09 -0.12 0.16 -0.04 2.09 2.00 3h4mB1 GLU 227 HB3 0.08 0.09 0.18 -0.04 1.99 2.30 3h4mB1 GLU 227 HG2 0.24 -0.10 -0.00 -0.04 2.34 2.43 3h4mB1 GLU 227 HG3 0.08 0.09 -0.22 -0.04 2.34 2.25 3h4mB1 THR 228 H 0.01 0.52 -0.26 -0.55 8.28 8.00 3h4mB1 THR 228 HA 0.00 0.08 0.51 -0.75 4.39 4.23 3h4mB1 THR 228 HB 0.00 0.02 0.05 -0.04 4.32 4.35 3h4mB1 THR 228 HG23 0.03 -0.02 -0.00 -0.04 1.22 1.18 3h4mB1 ASN 229 H -0.01 0.41 -0.53 -0.55 8.53 7.86 3h4mB1 ASN 229 HA -0.01 0.02 0.38 -0.75 4.76 4.40 3h4mB1 ASN 229 HB2 -0.01 0.16 0.27 -0.04 2.88 3.26 3h4mB1 ASN 229 HB3 -0.00 -0.10 0.25 -0.04 2.79 2.90 3h4mB1 ASN 229 HD21 -0.01 -0.09 0.04 -0.04 7.03 6.94 3h4mB1 ASN 229 HD22 -0.01 -0.02 0.09 -0.04 7.74 7.76 3h4mB1 ALA 230 H 0.02 0.64 0.05 -0.55 8.40 8.56 3h4mB1 ALA 230 HA 0.01 0.38 0.91 -0.75 4.34 4.89 3h4mB1 ALA 230 HB3 0.02 -0.05 -0.20 -0.04 1.41 1.14 3h4mB1 THR 231 H 0.01 0.77 0.46 -0.55 8.28 8.97 3h4mB1 THR 231 HA 0.05 -0.03 0.62 -0.75 4.39 4.28 3h4mB1 THR 231 HB -0.00 0.41 0.32 -0.04 4.32 5.01 3h4mB1 THR 231 HG23 -0.01 -0.06 -0.26 -0.04 1.22 0.86 3h4mB1 PHE 232 H 0.16 0.63 0.28 -0.55 8.34 8.86 3h4mB1 PHE 232 HA -0.01 0.23 1.01 -0.75 4.62 5.10 3h4mB1 PHE 232 HB2 -0.03 0.06 0.05 -0.04 3.15 3.19 3h4mB1 PHE 232 HB3 -0.02 -0.01 0.20 -0.04 3.06 3.19 3h4mB1 PHE 232 HD2 -0.02 0.02 -0.24 -0.04 7.28 7.01 3h4mB1 PHE 232 HE2 -0.06 -0.11 -0.22 -0.04 7.38 6.95 3h4mB1 PHE 232 HZ -0.38 -0.11 -0.08 -0.04 7.32 6.72 3h4mB1 ILE 233 H -0.55 0.59 0.28 -0.55 8.25 8.02 3h4mB1 ILE 233 HA -0.08 0.28 1.01 -0.75 4.18 4.63 3h4mB1 ILE 233 HB -0.21 0.02 0.17 -0.04 1.89 1.82 3h4mB1 ILE 233 HG12 -0.06 -0.02 -0.19 -0.04 1.49 1.19 3h4mB1 ILE 233 HG13 -0.08 -0.06 -0.53 -0.04 1.21 0.51 3h4mB1 ILE 233 HG23 -0.10 -0.01 -0.24 -0.04 0.93 0.54 3h4mB1 ILE 233 HD13 -0.10 0.03 -0.18 -0.04 0.88 0.58 3h4mB1 ARG 234 H 0.01 0.58 0.26 -0.55 8.46 8.75 3h4mB1 ARG 234 HA 0.03 0.16 0.91 -0.75 4.34 4.69 3h4mB1 ARG 234 HB2 0.42 -0.01 0.03 -0.04 1.90 2.30 3h4mB1 ARG 234 HB3 0.16 -0.05 0.15 -0.04 1.80 2.01 3h4mB1 ARG 234 HG2 0.18 -0.05 -0.22 -0.04 1.67 1.53 3h4mB1 ARG 234 HG3 0.44 0.01 0.05 -0.04 1.67 2.13 3h4mB1 ARG 234 HD2 0.26 -0.02 -0.04 -0.04 3.22 3.38 3h4mB1 ARG 234 HD3 0.18 0.03 -0.04 -0.04 3.22 3.35 3h4mB1 VAL 235 H 0.03 0.71 0.46 -0.55 8.24 8.88 3h4mB1 VAL 235 HA 0.01 0.16 0.90 -0.75 4.13 4.44 3h4mB1 VAL 235 HB -0.06 0.05 0.02 -0.04 2.12 2.08 3h4mB1 VAL 235 HG13 -0.01 -0.02 -0.29 -0.04 0.97 0.62 3h4mB1 VAL 235 HG23 -0.04 0.03 -0.24 -0.04 0.95 0.67 3h4mB1 VAL 236 H 0.02 0.28 0.09 -0.55 8.24 8.08 3h4mB1 VAL 236 HA 0.01 0.13 0.91 -0.75 4.13 4.42 3h4mB1 VAL 236 HB 0.02 -0.13 -0.07 -0.04 2.12 1.91 3h4mB1 VAL 236 HG13 0.06 -0.00 -0.06 -0.04 0.97 0.92 3h4mB1 VAL 236 HG23 0.03 0.04 0.03 -0.04 0.95 1.01 3h4mB1 GLY 237 H -0.02 0.52 0.15 -0.55 8.43 8.53 3h4mB1 GLY 237 HA2 -0.01 0.08 0.28 -0.51 4.01 3.84 3h4mB1 GLY 237 HA3 -0.02 0.34 0.43 -0.51 4.01 4.25 3h4mB1 SER 238 H 0.00 0.11 -0.00 -0.55 8.46 8.03 3h4mB1 SER 238 HA 0.01 0.07 0.33 -0.75 4.49 4.15 3h4mB1 SER 238 HB2 0.01 0.06 0.00 -0.04 3.95 3.99 3h4mB1 SER 238 HB3 0.01 0.01 0.11 -0.04 3.93 4.02 3h4mB1 GLU 239 H 0.01 0.18 -0.74 -0.55 8.60 7.51 3h4mB1 GLU 239 HA 0.02 0.10 0.58 -0.75 4.29 4.23 3h4mB1 GLU 239 HB2 0.02 0.10 0.05 -0.04 2.09 2.22 3h4mB1 GLU 239 HB3 0.02 0.06 0.15 -0.04 1.99 2.18 3h4mB1 GLU 239 HG2 0.02 0.02 -0.09 -0.04 2.34 2.24 3h4mB1 GLU 239 HG3 0.02 -0.12 -0.10 -0.04 2.34 2.10 3h4mB1 LEU 240 H 0.01 0.73 -0.14 -0.55 8.37 8.43 3h4mB1 LEU 240 HA 0.02 0.21 0.99 -0.75 4.35 4.82 3h4mB1 LEU 240 HB2 0.01 0.15 0.11 -0.04 1.64 1.87 3h4mB1 LEU 240 HB3 0.02 -0.10 0.01 -0.04 1.64 1.53 3h4mB1 LEU 240 HG 0.02 0.05 -0.15 -0.04 1.64 1.53 3h4mB1 LEU 240 HD13 0.03 -0.01 -0.13 -0.04 0.93 0.77 3h4mB1 LEU 240 HD23 0.03 0.02 0.05 -0.04 0.89 0.94 3h4mB1 VAL 241 H 0.01 0.21 -0.09 -0.55 8.24 7.83 3h4mB1 VAL 241 HA 0.01 0.02 0.31 -0.75 4.13 3.72 3h4mB1 VAL 241 HB 0.01 0.07 0.06 -0.04 2.12 2.21 3h4mB1 VAL 241 HG13 0.00 -0.02 0.11 -0.04 0.97 1.03 3h4mB1 VAL 241 HG23 0.01 0.01 0.02 -0.04 0.95 0.95 3h4mB1 LYS 242 H 0.02 0.05 -0.95 -0.55 8.42 6.99 3h4mB1 LYS 242 HA 0.03 0.01 0.49 -0.75 4.32 4.09 3h4mB1 LYS 242 HB2 0.03 0.09 -0.04 -0.04 1.87 1.90 3h4mB1 LYS 242 HB3 0.04 -0.03 -0.08 -0.04 1.79 1.67 3h4mB1 LYS 242 HG2 0.03 -0.02 -0.02 -0.04 1.46 1.40 3h4mB1 LYS 242 HG3 0.02 -0.02 -0.07 -0.04 1.46 1.35 3h4mB1 LYS 242 HD2 0.02 0.38 -0.01 -0.04 1.69 2.04 3h4mB1 LYS 242 HD3 0.02 -0.03 0.01 -0.04 1.68 1.64 3h4mB1 LYS 242 HE2 0.02 -0.04 -0.01 -0.04 2.99 2.92 3h4mB1 LYS 242 HE3 0.02 -0.08 0.07 -0.04 2.99 2.96 3h4mB1 LYS 243 H 0.04 0.19 0.13 -0.55 8.42 8.22 3h4mB1 LYS 243 HA 0.06 0.00 1.04 -0.75 4.32 4.67 3h4mB1 LYS 243 HB2 0.01 0.02 0.01 -0.04 1.87 1.87 3h4mB1 LYS 243 HB3 0.02 0.04 -0.26 -0.04 1.79 1.55 3h4mB1 LYS 243 HG2 0.01 -0.00 0.22 -0.04 1.46 1.64 3h4mB1 LYS 243 HG3 -0.02 -0.01 0.09 -0.04 1.46 1.48 3h4mB1 LYS 243 HD2 -0.00 -0.17 -0.01 -0.04 1.69 1.46 3h4mB1 LYS 243 HD3 0.01 0.15 0.03 -0.04 1.68 1.82 3h4mB1 LYS 243 HE2 -0.00 0.03 0.09 -0.04 2.99 3.07 3h4mB1 LYS 243 HE3 -0.01 -0.10 0.04 -0.04 2.99 2.88 3h4mB1 PHE 244 H 0.19 0.09 -0.01 -0.55 8.34 8.06 3h4mB1 PHE 244 HA 0.00 0.21 0.70 -0.75 4.62 4.78 3h4mB1 PHE 244 HB2 0.00 0.03 0.12 -0.04 3.15 3.27 3h4mB1 PHE 244 HB3 0.00 0.07 0.25 -0.04 3.06 3.34 3h4mB1 PHE 244 HD2 0.00 -0.11 0.10 -0.04 7.28 7.23 3h4mB1 PHE 244 HE2 0.00 0.01 0.02 -0.04 7.38 7.38 3h4mB1 PHE 244 HZ 0.00 0.01 0.02 -0.04 7.32 7.31 3h4mB1 ILE 245 H 0.70 0.22 0.15 -0.55 8.25 8.77 3h4mB1 ILE 245 HA 0.05 0.16 0.90 -0.75 4.18 4.54 3h4mB1 ILE 245 HB 0.21 0.04 0.08 -0.04 1.89 2.19 3h4mB1 ILE 245 HG12 -0.04 0.06 -0.04 -0.04 1.49 1.43 3h4mB1 ILE 245 HG13 -0.03 -0.09 -0.09 -0.04 1.21 0.95 3h4mB1 ILE 245 HG23 0.05 0.02 0.02 -0.04 0.93 0.98 3h4mB1 ILE 245 HD13 0.07 0.02 0.00 -0.04 0.88 0.93 3h4mB1 GLY 246 H 0.05 0.17 0.10 -0.55 8.43 8.21 3h4mB1 GLY 246 HA2 0.03 0.01 0.28 -0.51 4.01 3.82 3h4mB1 GLY 246 HA3 0.04 0.12 0.29 -0.51 4.01 3.95 3h4mB1 GLU 247 H 0.07 -0.01 -0.57 -0.55 8.60 7.55 3h4mB1 GLU 247 HA 0.05 0.18 0.27 -0.75 4.29 4.04 3h4mB1 GLU 247 HB2 0.17 -0.09 -0.06 -0.04 2.09 2.07 3h4mB1 GLU 247 HB3 0.09 0.16 0.09 -0.04 1.99 2.29 3h4mB1 GLU 247 HG2 0.04 0.07 0.03 -0.04 2.34 2.44 3h4mB1 GLU 247 HG3 0.12 -0.06 -0.04 -0.04 2.34 2.33 3h4mB1 GLY 248 H 0.04 0.08 0.07 -0.55 8.43 8.08 3h4mB1 GLY 248 HA2 0.03 0.14 0.68 -0.51 4.01 4.34 3h4mB1 GLY 248 HA3 0.03 0.22 0.34 -0.51 4.01 4.08 3h4mB1 ALA 249 H 0.03 -0.04 -0.38 -0.55 8.40 7.46 3h4mB1 ALA 249 HA 0.01 0.09 0.32 -0.75 4.34 4.00 3h4mB1 ALA 249 HB3 0.01 0.02 -0.11 -0.04 1.41 1.29 3h4mB1 SER 250 H 0.03 0.18 -0.89 -0.55 8.46 7.23 3h4mB1 SER 250 HA 0.02 0.06 0.32 -0.75 4.49 4.13 3h4mB1 SER 250 HB2 0.02 0.19 0.24 -0.04 3.95 4.36 3h4mB1 SER 250 HB3 0.01 -0.00 0.10 -0.04 3.93 4.00 3h4mB1 LEU 251 H 0.03 0.34 0.09 -0.55 8.37 8.28 3h4mB1 LEU 251 HA 0.03 -0.00 0.29 -0.75 4.35 3.91 3h4mB1 LEU 251 HB2 0.04 0.05 -0.07 -0.04 1.64 1.61 3h4mB1 LEU 251 HB3 0.03 0.02 0.08 -0.04 1.64 1.73 3h4mB1 LEU 251 HG 0.03 0.05 0.23 -0.04 1.64 1.90 3h4mB1 LEU 251 HD13 0.02 0.01 0.07 -0.04 0.93 0.99 3h4mB1 LEU 251 HD23 0.02 -0.04 0.10 -0.04 0.89 0.93 3h4mB1 VAL 252 H 0.05 0.37 -0.40 -0.55 8.24 7.70 3h4mB1 VAL 252 HA 0.15 0.00 0.35 -0.75 4.13 3.88 3h4mB1 VAL 252 HB 0.03 0.14 -0.02 -0.04 2.12 2.23 3h4mB1 VAL 252 HG13 0.06 -0.01 -0.30 -0.04 0.97 0.68 3h4mB1 VAL 252 HG23 0.06 0.03 -0.08 -0.04 0.95 0.93 3h4mB1 LYS 253 H 0.04 0.35 -0.20 -0.55 8.42 8.06 3h4mB1 LYS 253 HA 0.05 0.02 0.36 -0.75 4.32 4.00 3h4mB1 LYS 253 HB2 0.01 0.08 0.23 -0.04 1.87 2.15 3h4mB1 LYS 253 HB3 0.03 -0.02 0.12 -0.04 1.79 1.88 3h4mB1 LYS 253 HG2 0.02 -0.01 0.07 -0.04 1.46 1.49 3h4mB1 LYS 253 HG3 -0.01 -0.01 0.05 -0.04 1.46 1.45 3h4mB1 LYS 253 HD2 0.01 -0.03 0.00 -0.04 1.69 1.62 3h4mB1 LYS 253 HD3 0.02 -0.01 -0.07 -0.04 1.68 1.58 3h4mB1 LYS 253 HE2 0.02 0.01 -0.03 -0.04 2.99 2.94 3h4mB1 LYS 253 HE3 0.00 0.01 -0.01 -0.04 2.99 2.95 3h4mB1 ASP 254 H 0.05 0.37 -0.04 -0.55 8.40 8.24 3h4mB1 ASP 254 HA 0.04 -0.03 0.44 -0.75 4.63 4.33 3h4mB1 ASP 254 HB2 0.03 0.09 0.16 -0.04 2.71 2.95 3h4mB1 ASP 254 HB3 0.02 -0.02 -0.00 -0.04 2.70 2.66 3h4mB1 ILE 255 H 0.08 0.93 -0.10 -0.55 8.25 8.61 3h4mB1 ILE 255 HA -0.00 -0.03 0.24 -0.75 4.18 3.63 3h4mB1 ILE 255 HB 0.12 0.14 0.12 -0.04 1.89 2.24 3h4mB1 ILE 255 HG12 0.00 -0.04 -0.09 -0.04 1.49 1.33 3h4mB1 ILE 255 HG13 0.04 0.19 -0.02 -0.04 1.21 1.38 3h4mB1 ILE 255 HG23 -0.15 -0.03 -0.20 -0.04 0.93 0.51 3h4mB1 ILE 255 HD13 0.05 -0.04 -0.16 -0.04 0.88 0.68 3h4mB1 PHE 256 H 0.31 0.62 -0.10 -0.55 8.34 8.62 3h4mB1 PHE 256 HA -0.01 0.03 0.43 -0.75 4.62 4.31 3h4mB1 PHE 256 HB2 -0.00 0.11 0.13 -0.04 3.15 3.34 3h4mB1 PHE 256 HB3 -0.00 0.00 -0.01 -0.04 3.06 3.01 3h4mB1 PHE 256 HD2 -0.01 0.12 -0.02 -0.04 7.28 7.33 3h4mB1 PHE 256 HE2 -0.02 -0.00 -0.12 -0.04 7.38 7.20 3h4mB1 PHE 256 HZ -0.02 -0.04 -0.11 -0.04 7.32 7.11 3h4mB1 LYS 257 H 0.12 0.53 -0.18 -0.55 8.42 8.34 3h4mB1 LYS 257 HA 0.07 0.00 0.37 -0.75 4.32 4.01 3h4mB1 LYS 257 HB2 0.06 0.13 0.15 -0.04 1.87 2.17 3h4mB1 LYS 257 HB3 0.04 0.07 0.17 -0.04 1.79 2.02 3h4mB1 LYS 257 HG2 0.02 -0.02 -0.07 -0.04 1.46 1.35 3h4mB1 LYS 257 HG3 0.03 -0.02 0.03 -0.04 1.46 1.46 3h4mB1 LYS 257 HD2 0.03 -0.00 -0.04 -0.04 1.69 1.63 3h4mB1 LYS 257 HD3 0.02 -0.02 -0.01 -0.04 1.68 1.63 3h4mB1 LYS 257 HE2 0.02 -0.00 -0.02 -0.04 2.99 2.94 3h4mB1 LYS 257 HE3 0.01 -0.04 -0.03 -0.04 2.99 2.89 3h4mB1 LEU 258 H 0.02 0.58 -0.12 -0.55 8.37 8.29 3h4mB1 LEU 258 HA 0.00 -0.01 0.31 -0.75 4.35 3.90 3h4mB1 LEU 258 HB2 0.00 -0.07 0.03 -0.04 1.64 1.56 3h4mB1 LEU 258 HB3 -0.01 0.15 0.10 -0.04 1.64 1.85 3h4mB1 LEU 258 HG -0.03 0.06 -0.32 -0.04 1.64 1.31 3h4mB1 LEU 258 HD13 -0.01 -0.02 -0.07 -0.04 0.93 0.79 3h4mB1 LEU 258 HD23 -0.01 -0.02 -0.09 -0.04 0.89 0.73 3h4mB1 ALA 259 H -0.06 0.61 -0.18 -0.55 8.40 8.22 3h4mB1 ALA 259 HA -0.08 0.01 0.30 -0.75 4.34 3.82 3h4mB1 ALA 259 HB3 -0.20 0.02 0.04 -0.04 1.41 1.23 3h4mB1 LYS 260 H 0.00 0.65 -0.25 -0.55 8.42 8.26 3h4mB1 LYS 260 HA 0.00 0.00 0.36 -0.75 4.32 3.93 3h4mB1 LYS 260 HB2 0.05 0.18 0.20 -0.04 1.87 2.25 3h4mB1 LYS 260 HB3 0.04 -0.10 0.01 -0.04 1.79 1.69 3h4mB1 LYS 260 HG2 0.05 -0.07 0.04 -0.04 1.46 1.45 3h4mB1 LYS 260 HG3 0.07 0.01 0.03 -0.04 1.46 1.53 3h4mB1 LYS 260 HD2 0.10 -0.00 -0.06 -0.04 1.69 1.69 3h4mB1 LYS 260 HD3 0.07 -0.08 0.00 -0.04 1.68 1.63 3h4mB1 LYS 260 HE2 0.09 0.02 0.01 -0.04 2.99 3.08 3h4mB1 LYS 260 HE3 0.17 0.02 -0.01 -0.04 2.99 3.13 3h4mB1 GLU 261 H 0.00 0.40 -0.21 -0.55 8.60 8.24 3h4mB1 GLU 261 HA 0.01 0.01 0.39 -0.75 4.29 3.94 3h4mB1 GLU 261 HB2 0.00 0.05 0.09 -0.04 2.09 2.18 3h4mB1 GLU 261 HB3 0.01 -0.08 0.09 -0.04 1.99 1.96 3h4mB1 GLU 261 HG2 0.01 -0.06 0.02 -0.04 2.34 2.27 3h4mB1 GLU 261 HG3 0.02 0.15 0.02 -0.04 2.34 2.48 3h4mB1 LYS 262 H -0.01 0.39 -0.65 -0.55 8.42 7.59 3h4mB1 LYS 262 HA -0.00 0.13 0.84 -0.75 4.32 4.53 3h4mB1 LYS 262 HB2 -0.01 0.03 0.07 -0.04 1.87 1.92 3h4mB1 LYS 262 HB3 -0.00 -0.08 0.13 -0.04 1.79 1.79 3h4mB1 LYS 262 HG2 -0.00 0.13 -0.31 -0.04 1.46 1.24 3h4mB1 LYS 262 HG3 -0.01 0.06 -0.20 -0.04 1.46 1.28 3h4mB1 LYS 262 HD2 -0.00 -0.06 -0.07 -0.04 1.69 1.51 3h4mB1 LYS 262 HD3 0.00 -0.03 -0.02 -0.04 1.68 1.59 3h4mB1 LYS 262 HE2 0.00 0.04 -0.02 -0.04 2.99 2.97 3h4mB1 LYS 262 HE3 0.00 -0.02 -0.06 -0.04 2.99 2.87 3h4mB1 ALA 263 H -0.00 0.17 -0.19 -0.55 8.40 7.83 3h4mB1 ALA 263 HA -0.02 -0.01 0.43 -0.75 4.34 3.99 3h4mB1 ALA 263 HB3 -0.01 -0.00 0.09 -0.04 1.41 1.45 3h4mB1 PRO 264 HA -0.02 0.19 0.54 -0.51 4.44 4.64 3h4mB1 PRO 264 HB2 -0.01 -0.03 0.02 -0.04 2.28 2.23 3h4mB1 PRO 264 HB3 -0.02 0.06 0.19 -0.04 2.02 2.20 3h4mB1 PRO 264 HG2 -0.01 0.09 0.13 -0.04 2.03 2.20 3h4mB1 PRO 264 HG3 -0.01 -0.02 0.11 -0.04 2.03 2.06 3h4mB1 PRO 264 HD2 -0.01 0.17 0.35 -0.04 3.68 4.15 3h4mB1 PRO 264 HD3 -0.01 0.09 0.53 -0.04 3.65 4.22 3h4mB1 SER 265 H -0.03 0.42 0.40 -0.55 8.46 8.70 3h4mB1 SER 265 HA -0.01 -0.06 0.59 -0.75 4.49 4.26 3h4mB1 SER 265 HB2 -0.06 0.03 0.05 -0.04 3.95 3.93 3h4mB1 SER 265 HB3 -0.03 0.23 0.21 -0.04 3.93 4.31 3h4mB1 ILE 266 H -0.00 0.29 0.14 -0.55 8.25 8.13 3h4mB1 ILE 266 HA -0.03 0.21 0.89 -0.75 4.18 4.49 3h4mB1 ILE 266 HB 0.00 -0.08 0.07 -0.04 1.89 1.85 3h4mB1 ILE 266 HG12 0.08 0.05 -0.07 -0.04 1.49 1.51 3h4mB1 ILE 266 HG13 0.14 -0.05 -0.10 -0.04 1.21 1.17 3h4mB1 ILE 266 HG23 0.06 -0.04 -0.31 -0.04 0.93 0.60 3h4mB1 ILE 266 HD13 0.04 0.01 -0.21 -0.04 0.88 0.68 3h4mB1 ILE 267 H -0.10 0.72 0.38 -0.55 8.25 8.70 3h4mB1 ILE 267 HA -0.23 0.23 1.07 -0.75 4.18 4.49 3h4mB1 ILE 267 HB -0.20 -0.02 0.18 -0.04 1.89 1.82 3h4mB1 ILE 267 HG12 -0.31 0.01 -0.09 -0.04 1.49 1.06 3h4mB1 ILE 267 HG13 -0.25 0.04 -0.24 -0.04 1.21 0.73 3h4mB1 ILE 267 HG23 -0.20 -0.03 -0.24 -0.04 0.93 0.43 3h4mB1 ILE 267 HD13 -0.81 0.00 -0.12 -0.04 0.88 -0.09 3h4mB1 PHE 268 H -0.25 0.78 0.26 -0.55 8.34 8.58 3h4mB1 PHE 268 HA -0.06 0.33 1.03 -0.75 4.62 5.17 3h4mB1 PHE 268 HB2 -0.16 -0.01 -0.05 -0.04 3.15 2.90 3h4mB1 PHE 268 HB3 -0.35 -0.01 0.14 -0.04 3.06 2.80 3h4mB1 PHE 268 HD2 0.08 0.01 -0.08 -0.04 7.28 7.25 3h4mB1 PHE 268 HE2 0.08 -0.04 -0.20 -0.04 7.38 7.17 3h4mB1 PHE 268 HZ 0.06 -0.16 -0.15 -0.04 7.32 7.03 3h4mB1 ILE 269 H -0.32 0.85 0.37 -0.55 8.25 8.60 3h4mB1 ILE 269 HA -0.20 0.22 1.05 -0.75 4.18 4.50 3h4mB1 ILE 269 HB -0.14 -0.04 0.18 -0.04 1.89 1.85 3h4mB1 ILE 269 HG12 -0.03 -0.00 -0.13 -0.04 1.49 1.29 3h4mB1 ILE 269 HG13 -0.06 0.03 -0.32 -0.04 1.21 0.81 3h4mB1 ILE 269 HG23 -0.10 -0.04 -0.20 -0.04 0.93 0.55 3h4mB1 ILE 269 HD13 0.11 0.01 -0.12 -0.04 0.88 0.84 3h4mB1 ASP 270 H -0.22 0.62 0.29 -0.55 8.40 8.54 3h4mB1 ASP 270 HA -0.33 -0.07 0.54 -0.75 4.63 4.02 3h4mB1 ASP 270 HB2 0.21 0.09 0.11 -0.04 2.71 3.08 3h4mB1 ASP 270 HB3 0.05 -0.08 0.09 -0.04 2.70 2.71 3h4mB1 GLU 271 H -0.06 0.11 0.17 -0.55 8.60 8.29 3h4mB1 GLU 271 HA -0.02 -0.05 0.46 -0.75 4.29 3.92 3h4mB1 GLU 271 HB2 0.01 0.01 -0.20 -0.04 2.09 1.86 3h4mB1 GLU 271 HB3 -0.01 -0.05 0.05 -0.04 1.99 1.94 3h4mB1 GLU 271 HG2 -0.01 -0.05 0.13 -0.04 2.34 2.37 3h4mB1 GLU 271 HG3 0.00 0.04 0.08 -0.04 2.34 2.42 3h4mB1 ILE 272 H -0.10 0.67 0.25 -0.55 8.25 8.53 3h4mB1 ILE 272 HA -0.07 0.16 0.34 -0.75 4.18 3.86 3h4mB1 ILE 272 HB -0.17 0.11 0.06 -0.04 1.89 1.85 3h4mB1 ILE 272 HG12 -0.10 -0.05 -0.06 -0.04 1.49 1.23 3h4mB1 ILE 272 HG13 -0.06 0.01 0.03 -0.04 1.21 1.15 3h4mB1 ILE 272 HG23 -0.18 0.04 -0.18 -0.04 0.93 0.57 3h4mB1 ILE 272 HD13 -0.22 0.03 -0.06 -0.04 0.88 0.59 3h4mB1 ASP 273 H -0.05 0.06 -0.12 -0.55 8.40 7.75 3h4mB1 ASP 273 HA -0.04 0.12 0.27 -0.75 4.63 4.22 3h4mB1 ASP 273 HB2 -0.03 0.09 -0.05 -0.04 2.71 2.69 3h4mB1 ASP 273 HB3 -0.04 0.09 0.01 -0.04 2.70 2.73 3h4mB1 ALA 274 H -0.02 0.23 -0.48 -0.55 8.40 7.57 3h4mB1 ALA 274 HA -0.01 0.08 0.40 -0.75 4.34 4.06 3h4mB1 ALA 274 HB3 -0.01 0.00 -0.03 -0.04 1.41 1.33 3h4mB1 ILE 275 H -0.02 0.25 -0.50 -0.55 8.25 7.43 3h4mB1 ILE 275 HA -0.00 0.15 0.85 -0.75 4.18 4.43 3h4mB1 ILE 275 HB -0.01 0.05 0.02 -0.04 1.89 1.91 3h4mB1 ILE 275 HG12 0.01 -0.00 -0.07 -0.04 1.49 1.39 3h4mB1 ILE 275 HG13 0.00 0.02 -0.42 -0.04 1.21 0.77 3h4mB1 ILE 275 HG23 0.01 0.00 -0.17 -0.04 0.93 0.74 3h4mB1 ILE 275 HD13 0.01 -0.01 -0.12 -0.04 0.88 0.72 3h4mB1 ALA 276 H -0.03 0.12 0.11 -0.55 8.40 8.06 3h4mB1 ALA 276 HA -0.01 0.24 0.65 -0.75 4.34 4.47 3h4mB1 ALA 276 HB3 -0.04 -0.02 0.02 -0.04 1.41 1.33 3h4mB1 ALA 277 H -0.02 0.11 -0.36 -0.55 8.40 7.60 3h4mB1 ALA 277 HA -0.02 0.27 0.76 -0.75 4.34 4.59 3h4mB1 ALA 277 HB3 -0.02 0.00 0.06 -0.04 1.41 1.42 3h4mB1 LYS 278 H -0.01 0.35 0.24 -0.55 8.42 8.44 3h4mB1 LYS 278 HA -0.01 0.11 0.50 -0.75 4.32 4.16 3h4mB1 LYS 278 HB2 -0.01 0.18 0.02 -0.04 1.87 2.01 3h4mB1 LYS 278 HB3 -0.01 -0.03 0.18 -0.04 1.79 1.89 3h4mB1 LYS 278 HG2 -0.01 -0.05 0.01 -0.04 1.46 1.38 3h4mB1 LYS 278 HG3 -0.01 -0.07 -0.19 -0.04 1.46 1.14 3h4mB1 LYS 278 HD2 -0.01 -0.03 0.04 -0.04 1.69 1.64 3h4mB1 LYS 278 HD3 -0.01 -0.00 -0.03 -0.04 1.68 1.60 3h4mB1 LYS 278 HE2 -0.01 -0.09 -0.12 -0.04 2.99 2.73 3h4mB1 LYS 278 HE3 -0.02 0.14 -0.61 -0.04 2.99 2.46 3h4mB1 ARG 279 H -0.01 0.10 0.05 -0.55 8.46 8.05 3h4mB1 ARG 279 HA -0.01 0.21 0.80 -0.75 4.34 4.59 3h4mB1 ARG 279 HB2 -0.01 0.01 0.06 -0.04 1.90 1.92 3h4mB1 ARG 279 HB3 -0.01 -0.21 0.11 -0.04 1.80 1.65 3h4mB1 ARG 279 HG2 -0.01 0.01 0.00 -0.04 1.67 1.64 3h4mB1 ARG 279 HG3 -0.01 0.07 -0.15 -0.04 1.67 1.54 3h4mB1 ARG 279 HD2 -0.01 0.09 -0.01 -0.04 3.22 3.25 3h4mB1 ARG 279 HD3 -0.01 -0.25 -0.00 -0.04 3.22 2.92 3h4mB1 THR 280 H -0.01 0.06 0.07 -0.55 8.28 7.85 3h4mB1 THR 280 HA -0.01 0.13 0.32 -0.75 4.39 4.08 3h4mB1 THR 280 HB -0.00 -0.16 0.09 -0.04 4.32 4.20 3h4mB1 THR 280 HG23 -0.00 0.02 -0.11 -0.04 1.22 1.09 3h4mB1 ASP 281 H -0.00 -0.13 -0.19 -0.55 8.40 7.53 3h4mB1 ASP 281 HA -0.00 0.25 0.42 -0.75 4.63 4.54 3h4mB1 ASP 281 HB2 -0.00 0.03 0.06 -0.04 2.71 2.75 3h4mB1 ASP 281 HB3 -0.00 0.16 0.12 -0.04 2.70 2.93 3h4mB1 ALA 282 H -0.00 0.21 -0.00 -0.55 8.40 8.05 3h4mB1 ALA 282 HA -0.00 0.09 0.55 -0.75 4.34 4.22 3h4mB1 ALA 282 HB3 -0.00 0.05 0.08 -0.04 1.41 1.50 3h4mB1 LEU 283 H -0.00 -0.14 0.05 -0.55 8.37 7.73 3h4mB1 LEU 283 HA -0.01 0.25 0.65 -0.75 4.35 4.49 3h4mB1 LEU 283 HB2 -0.01 -0.08 -0.00 -0.04 1.64 1.51 3h4mB1 LEU 283 HB3 -0.01 0.03 0.08 -0.04 1.64 1.71 3h4mB1 LEU 283 HG -0.00 -0.06 -0.42 -0.04 1.64 1.11 3h4mB1 LEU 283 HD13 -0.00 -0.00 -0.04 -0.04 0.93 0.84 3h4mB1 LEU 283 HD23 -0.00 0.04 0.08 -0.04 0.89 0.97 3h4mB1 THR 284 H -0.01 -0.14 0.07 -0.55 8.28 7.66 3h4mB1 THR 284 HA -0.01 -0.00 0.32 -0.75 4.39 3.95 3h4mB1 THR 284 HB -0.01 0.20 -0.21 -0.04 4.32 4.26 3h4mB1 THR 284 HG23 -0.01 0.01 -0.09 -0.04 1.22 1.08 3h4mB1 GLY 285 H -0.01 0.75 0.32 -0.55 8.43 8.94 3h4mB1 GLY 285 HA2 -0.01 0.08 0.35 -0.51 4.01 3.91 3h4mB1 GLY 285 HA3 -0.01 0.03 0.61 -0.51 4.01 4.13 3h4mB1 GLY 286 H -0.01 0.17 0.19 -0.55 8.43 8.22 3h4mB1 GLY 286 HA2 -0.02 0.12 0.60 -0.51 4.01 4.20 3h4mB1 GLY 286 HA3 -0.02 0.07 0.39 -0.51 4.01 3.94 3h4mB1 ASP 287 H -0.01 0.11 -0.28 -0.55 8.40 7.67 3h4mB1 ASP 287 HA -0.01 0.00 0.15 -0.75 4.63 4.01 3h4mB1 ASP 287 HB2 -0.01 0.19 0.18 -0.04 2.71 3.03 3h4mB1 ASP 287 HB3 -0.00 -0.02 0.20 -0.04 2.70 2.83 3h4mB1 ARG 288 H -0.01 0.66 -0.23 -0.55 8.46 8.33 3h4mB1 ARG 288 HA -0.00 0.07 0.55 -0.75 4.34 4.20 3h4mB1 ARG 288 HB2 -0.01 0.12 0.04 -0.04 1.90 2.01 3h4mB1 ARG 288 HB3 -0.01 0.01 0.04 -0.04 1.80 1.80 3h4mB1 ARG 288 HG2 -0.00 -0.04 0.01 -0.04 1.67 1.60 3h4mB1 ARG 288 HG3 -0.00 -0.02 0.06 -0.04 1.67 1.67 3h4mB1 ARG 288 HD2 -0.01 0.01 -0.01 -0.04 3.22 3.18 3h4mB1 ARG 288 HD3 -0.00 0.00 -0.01 -0.04 3.22 3.17 3h4mB1 GLU 289 H -0.01 0.25 -0.03 -0.55 8.60 8.27 3h4mB1 GLU 289 HA 0.00 0.02 0.43 -0.75 4.29 3.99 3h4mB1 GLU 289 HB2 -0.00 0.11 0.14 -0.04 2.09 2.30 3h4mB1 GLU 289 HB3 -0.00 0.01 0.08 -0.04 1.99 2.03 3h4mB1 GLU 289 HG2 0.02 0.10 -0.09 -0.04 2.34 2.33 3h4mB1 GLU 289 HG3 0.02 -0.06 -0.27 -0.04 2.34 1.99 3h4mB1 VAL 290 H 0.00 0.16 -0.29 -0.55 8.24 7.56 3h4mB1 VAL 290 HA 0.01 0.03 0.28 -0.75 4.13 3.69 3h4mB1 VAL 290 HB -0.00 0.18 0.12 -0.04 2.12 2.38 3h4mB1 VAL 290 HG13 0.00 0.03 -0.03 -0.04 0.97 0.93 3h4mB1 VAL 290 HG23 0.00 -0.03 0.09 -0.04 0.95 0.97 3h4mB1 GLN 291 H 0.00 0.25 -0.30 -0.55 8.47 7.88 3h4mB1 GLN 291 HA 0.00 0.12 0.44 -0.75 4.36 4.16 3h4mB1 GLN 291 HB2 -0.00 0.12 0.13 -0.04 2.15 2.36 3h4mB1 GLN 291 HB3 -0.00 -0.01 0.01 -0.04 2.02 1.98 3h4mB1 GLN 291 HG2 -0.00 -0.02 0.05 -0.04 2.40 2.39 3h4mB1 GLN 291 HG3 -0.00 0.06 0.05 -0.04 2.39 2.46 3h4mB1 GLN 291 HE21 -0.00 0.48 0.19 -0.04 6.97 7.60 3h4mB1 GLN 291 HE22 -0.00 -0.07 0.14 -0.04 7.69 7.72 3h4mB1 ARG 292 H 0.00 0.36 -0.12 -0.55 8.46 8.15 3h4mB1 ARG 292 HA -0.00 0.03 0.42 -0.75 4.34 4.04 3h4mB1 ARG 292 HB2 0.01 0.04 0.18 -0.04 1.90 2.08 3h4mB1 ARG 292 HB3 0.00 -0.03 0.10 -0.04 1.80 1.83 3h4mB1 ARG 292 HG2 0.00 -0.01 0.07 -0.04 1.67 1.69 3h4mB1 ARG 292 HG3 0.00 0.20 0.14 -0.04 1.67 1.97 3h4mB1 ARG 292 HD2 0.01 -0.11 0.03 -0.04 3.22 3.11 3h4mB1 ARG 292 HD3 0.01 0.00 0.04 -0.04 3.22 3.23 3h4mB1 THR 293 H 0.01 0.46 -0.22 -0.55 8.28 7.98 3h4mB1 THR 293 HA 0.01 -0.05 0.33 -0.75 4.39 3.93 3h4mB1 THR 293 HB 0.01 0.25 0.09 -0.04 4.32 4.63 3h4mB1 THR 293 HG23 0.02 0.01 -0.38 -0.04 1.22 0.84 3h4mB1 LEU 294 H 0.01 0.53 -0.04 -0.55 8.37 8.33 3h4mB1 LEU 294 HA 0.02 -0.04 0.26 -0.75 4.35 3.83 3h4mB1 LEU 294 HB2 0.01 0.12 0.14 -0.04 1.64 1.86 3h4mB1 LEU 294 HB3 0.01 0.09 0.25 -0.04 1.64 1.94 3h4mB1 LEU 294 HG 0.01 -0.04 -0.18 -0.04 1.64 1.40 3h4mB1 LEU 294 HD13 0.03 -0.03 -0.09 -0.04 0.93 0.79 3h4mB1 LEU 294 HD23 0.01 0.07 0.07 -0.04 0.89 1.00 3h4mB1 MET 295 H -0.00 0.65 -0.19 -0.55 8.47 8.39 3h4mB1 MET 295 HA -0.01 0.01 0.47 -0.75 4.52 4.24 3h4mB1 MET 295 HB2 -0.01 0.06 0.10 -0.04 2.15 2.26 3h4mB1 MET 295 HB3 -0.01 -0.05 0.06 -0.04 2.03 1.99 3h4mB1 MET 295 HG2 -0.00 0.67 0.20 -0.04 2.63 3.46 3h4mB1 MET 295 HG3 -0.00 -0.12 -0.02 -0.04 2.56 2.37 3h4mB1 MET 295 HE3 -0.00 -0.02 -0.09 -0.04 2.10 1.95 3h4mB1 GLN 296 H -0.02 0.61 -0.04 -0.55 8.47 8.48 3h4mB1 GLN 296 HA -0.06 -0.04 0.33 -0.75 4.36 3.84 3h4mB1 GLN 296 HB2 -0.02 -0.02 0.23 -0.04 2.15 2.30 3h4mB1 GLN 296 HB3 -0.02 0.09 0.17 -0.04 2.02 2.23 3h4mB1 GLN 296 HG2 -0.01 0.48 0.20 -0.04 2.40 3.03 3h4mB1 GLN 296 HG3 -0.06 -0.06 -0.01 -0.04 2.39 2.21 3h4mB1 GLN 296 HE21 -0.05 -0.02 0.03 -0.04 6.97 6.89 3h4mB1 GLN 296 HE22 -0.09 0.00 0.08 -0.04 7.69 7.64 3h4mB1 LEU 297 H -0.03 0.35 -0.49 -0.55 8.37 7.66 3h4mB1 LEU 297 HA -0.17 0.05 0.49 -0.75 4.35 3.95 3h4mB1 LEU 297 HB2 0.04 -0.06 -0.01 -0.04 1.64 1.58 3h4mB1 LEU 297 HB3 0.03 0.20 0.14 -0.04 1.64 1.96 3h4mB1 LEU 297 HG 0.10 0.04 -0.27 -0.04 1.64 1.47 3h4mB1 LEU 297 HD13 0.22 -0.01 -0.07 -0.04 0.93 1.03 3h4mB1 LEU 297 HD23 0.15 -0.02 -0.09 -0.04 0.89 0.89 3h4mB1 LEU 298 H -0.02 0.53 0.09 -0.55 8.37 8.42 3h4mB1 LEU 298 HA -0.04 0.02 0.33 -0.75 4.35 3.91 3h4mB1 LEU 298 HB2 -0.02 0.01 0.15 -0.04 1.64 1.74 3h4mB1 LEU 298 HB3 -0.01 0.00 0.03 -0.04 1.64 1.62 3h4mB1 LEU 298 HG 0.02 0.31 0.09 -0.04 1.64 2.01 3h4mB1 LEU 298 HD13 0.01 -0.02 -0.06 -0.04 0.93 0.82 3h4mB1 LEU 298 HD23 0.07 -0.02 -0.04 -0.04 0.89 0.86 3h4mB1 ALA 299 H -0.07 0.94 -0.13 -0.55 8.40 8.60 3h4mB1 ALA 299 HA -0.06 -0.03 0.39 -0.75 4.34 3.89 3h4mB1 ALA 299 HB3 -0.07 0.00 0.04 -0.04 1.41 1.33 3h4mB1 GLU 300 H -0.25 0.49 -0.13 -0.55 8.60 8.17 3h4mB1 GLU 300 HA -0.24 -0.06 0.25 -0.75 4.29 3.48 3h4mB1 GLU 300 HB2 -0.96 0.10 0.19 -0.04 2.09 1.38 3h4mB1 GLU 300 HB3 -1.50 -0.03 0.00 -0.04 1.99 0.42 3h4mB1 GLU 300 HG2 -0.28 -0.02 0.11 -0.04 2.34 2.11 3h4mB1 GLU 300 HG3 -0.51 -0.07 -0.04 -0.04 2.34 1.68 3h4mB1 MET 301 H -0.22 0.46 -0.41 -0.55 8.47 7.75 3h4mB1 MET 301 HA -0.07 0.02 0.38 -0.75 4.52 4.10 3h4mB1 MET 301 HB2 -0.11 0.01 0.02 -0.04 2.15 2.02 3h4mB1 MET 301 HB3 -0.10 0.03 0.06 -0.04 2.03 1.97 3h4mB1 MET 301 HG2 -0.18 0.15 -0.02 -0.04 2.63 2.54 3h4mB1 MET 301 HG3 -0.10 0.00 -0.02 -0.04 2.56 2.41 3h4mB1 MET 301 HE3 0.02 -0.01 -0.20 -0.04 2.10 1.87 3h4mB1 ASP 302 H -0.08 0.69 0.11 -0.55 8.40 8.58 3h4mB1 ASP 302 HA -0.05 0.01 0.41 -0.75 4.63 4.26 3h4mB1 ASP 302 HB2 -0.04 0.01 0.16 -0.04 2.71 2.80 3h4mB1 ASP 302 HB3 -0.02 -0.14 0.01 -0.04 2.70 2.51 3h4mB1 GLY 303 H -0.06 0.70 -0.21 -0.55 8.43 8.32 3h4mB1 GLY 303 HA2 0.02 -0.24 0.24 -0.51 4.01 3.52 3h4mB1 GLY 303 HA3 -0.01 0.02 0.22 -0.51 4.01 3.73 3h4mB1 PHE 304 H 0.17 -0.07 0.12 -0.55 8.34 8.02 3h4mB1 PHE 304 HA -0.01 0.03 0.43 -0.75 4.62 4.31 3h4mB1 PHE 304 HB2 -0.01 -0.03 0.13 -0.04 3.15 3.20 3h4mB1 PHE 304 HB3 -0.01 -0.04 0.10 -0.04 3.06 3.07 3h4mB1 PHE 304 HD2 -0.00 0.01 -0.12 -0.04 7.28 7.12 3h4mB1 PHE 304 HE2 -0.00 -0.02 -0.05 -0.04 7.38 7.27 3h4mB1 PHE 304 HZ -0.00 -0.01 -0.05 -0.04 7.32 7.22 3h4mB1 ASP 305 H -0.81 0.09 0.12 -0.55 8.40 7.26 3h4mB1 ASP 305 HA -0.20 0.03 0.84 -0.75 4.63 4.55 3h4mB1 ASP 305 HB2 -0.09 0.34 -0.25 -0.04 2.71 2.67 3h4mB1 ASP 305 HB3 -0.17 -0.03 0.05 -0.04 2.70 2.52 3h4mB1 ALA 306 H -0.14 0.14 0.11 -0.55 8.40 7.96 3h4mB1 ALA 306 HA -0.22 0.05 0.24 -0.75 4.34 3.65 3h4mB1 ALA 306 HB3 0.01 -0.01 0.08 -0.04 1.41 1.44 3h4mB1 ARG 307 H -0.05 0.12 0.04 -0.55 8.46 8.01 3h4mB1 ARG 307 HA -0.05 0.19 0.95 -0.75 4.34 4.68 3h4mB1 ARG 307 HB2 -0.03 0.21 -0.05 -0.04 1.90 1.99 3h4mB1 ARG 307 HB3 -0.02 -0.03 -0.02 -0.04 1.80 1.69 3h4mB1 ARG 307 HG2 -0.02 -0.01 -0.02 -0.04 1.67 1.59 3h4mB1 ARG 307 HG3 -0.01 0.05 -0.02 -0.04 1.67 1.65 3h4mB1 ARG 307 HD2 -0.00 -0.03 -0.11 -0.04 3.22 3.03 3h4mB1 ARG 307 HD3 -0.01 -0.09 0.08 -0.04 3.22 3.16 3h4mB1 GLY 308 H -0.06 0.13 0.05 -0.55 8.43 8.01 3h4mB1 GLY 308 HA2 -0.06 0.08 0.60 -0.51 4.01 4.11 3h4mB1 GLY 308 HA3 -0.08 0.04 0.28 -0.51 4.01 3.75 3h4mB1 ASP 309 H -0.04 -0.18 0.27 -0.55 8.40 7.90 3h4mB1 ASP 309 HA -0.03 0.15 0.79 -0.75 4.63 4.79 3h4mB1 ASP 309 HB2 -0.03 0.18 -0.32 -0.04 2.71 2.50 3h4mB1 ASP 309 HB3 -0.02 -0.01 -0.01 -0.04 2.70 2.62 3h4mB1 VAL 310 H -0.03 0.03 0.29 -0.55 8.24 7.98 3h4mB1 VAL 310 HA -0.05 0.27 1.01 -0.75 4.13 4.61 3h4mB1 VAL 310 HB -0.01 -0.01 0.17 -0.04 2.12 2.24 3h4mB1 VAL 310 HG13 -0.12 0.01 -0.11 -0.04 0.97 0.71 3h4mB1 VAL 310 HG23 -0.02 0.01 -0.20 -0.04 0.95 0.69 3h4mB1 LYS 311 H -0.04 0.32 0.22 -0.55 8.42 8.37 3h4mB1 LYS 311 HA -0.04 0.40 1.02 -0.75 4.32 4.95 3h4mB1 LYS 311 HB2 -0.00 -0.12 -0.03 -0.04 1.87 1.68 3h4mB1 LYS 311 HB3 -0.01 0.01 0.05 -0.04 1.79 1.79 3h4mB1 LYS 311 HG2 -0.04 -0.09 -0.37 -0.04 1.46 0.93 3h4mB1 LYS 311 HG3 -0.03 0.01 -0.11 -0.04 1.46 1.29 3h4mB1 LYS 311 HD2 -0.06 0.13 -0.01 -0.04 1.69 1.71 3h4mB1 LYS 311 HD3 -0.06 0.16 0.03 -0.04 1.68 1.78 3h4mB1 LYS 311 HE2 -0.07 -0.16 -0.39 -0.04 2.99 2.33 3h4mB1 LYS 311 HE3 -0.09 -0.01 -0.24 -0.04 2.99 2.60 3h4mB1 ILE 312 H -0.02 0.45 0.33 -0.55 8.25 8.46 3h4mB1 ILE 312 HA -0.01 0.17 1.18 -0.75 4.18 4.77 3h4mB1 ILE 312 HB -0.10 -0.01 0.16 -0.04 1.89 1.90 3h4mB1 ILE 312 HG12 -0.04 -0.03 -0.13 -0.04 1.49 1.25 3h4mB1 ILE 312 HG13 -0.02 -0.03 -0.43 -0.04 1.21 0.69 3h4mB1 ILE 312 HG23 0.19 -0.03 -0.18 -0.04 0.93 0.87 3h4mB1 ILE 312 HD13 0.15 0.02 -0.11 -0.04 0.88 0.90 3h4mB1 ILE 313 H 0.08 0.75 0.33 -0.55 8.25 8.86 3h4mB1 ILE 313 HA 0.21 0.39 1.19 -0.75 4.18 5.22 3h4mB1 ILE 313 HB 0.31 -0.07 0.05 -0.04 1.89 2.14 3h4mB1 ILE 313 HG12 0.15 -0.02 -0.11 -0.04 1.49 1.47 3h4mB1 ILE 313 HG13 0.12 0.01 -0.54 -0.04 1.21 0.77 3h4mB1 ILE 313 HG23 0.23 -0.03 -0.21 -0.04 0.93 0.88 3h4mB1 ILE 313 HD13 0.15 -0.01 -0.15 -0.04 0.88 0.83 3h4mB1 GLY 314 H 0.07 0.61 0.37 -0.55 8.43 8.94 3h4mB1 GLY 314 HA2 -0.29 0.19 1.09 -0.51 4.01 4.50 3h4mB1 GLY 314 HA3 -0.26 0.04 0.36 -0.51 4.01 3.64 3h4mB1 ALA 315 H -0.31 0.65 0.37 -0.55 8.40 8.56 3h4mB1 ALA 315 HA -0.01 0.39 1.06 -0.75 4.34 5.03 3h4mB1 ALA 315 HB3 0.06 -0.03 0.02 -0.04 1.41 1.42 3h4mB1 THR 316 H 0.04 0.66 0.40 -0.55 8.28 8.84 3h4mB1 THR 316 HA -0.00 -0.05 0.66 -0.75 4.39 4.25 3h4mB1 THR 316 HB -0.05 0.02 -0.08 -0.04 4.32 4.17 3h4mB1 THR 316 HG23 -0.00 0.07 -0.19 -0.04 1.22 1.05 3h4mB1 ASN 317 H 0.02 0.13 0.17 -0.55 8.53 8.31 3h4mB1 ASN 317 HA 0.07 0.30 0.87 -0.75 4.76 5.24 3h4mB1 ASN 317 HB2 0.03 0.03 -0.00 -0.04 2.88 2.89 3h4mB1 ASN 317 HB3 0.04 0.02 0.08 -0.04 2.79 2.89 3h4mB1 ASN 317 HD21 0.05 -0.11 -0.11 -0.04 7.03 6.82 3h4mB1 ASN 317 HD22 0.05 0.47 -0.14 -0.04 7.74 8.08 3h4mB1 ARG 318 H 0.01 -0.04 -0.15 -0.55 8.46 7.72 3h4mB1 ARG 318 HA -0.01 0.27 0.86 -0.75 4.34 4.72 3h4mB1 ARG 318 HB2 -0.00 -0.04 -0.18 -0.04 1.90 1.64 3h4mB1 ARG 318 HB3 -0.01 -0.02 0.14 -0.04 1.80 1.86 3h4mB1 ARG 318 HG2 -0.01 0.04 -0.03 -0.04 1.67 1.63 3h4mB1 ARG 318 HG3 -0.02 -0.04 -0.02 -0.04 1.67 1.55 3h4mB1 ARG 318 HD2 -0.01 0.09 0.10 -0.04 3.22 3.36 3h4mB1 ARG 318 HD3 -0.00 0.04 -0.03 -0.04 3.22 3.20 3h4mB1 PRO 319 HA -0.10 0.07 0.23 -0.51 4.44 4.13 3h4mB1 PRO 319 HB2 -0.27 0.07 -0.01 -0.04 2.28 2.02 3h4mB1 PRO 319 HB3 -0.37 0.09 -0.04 -0.04 2.02 1.66 3h4mB1 PRO 319 HG2 -0.42 0.09 -0.04 -0.04 2.03 1.62 3h4mB1 PRO 319 HG3 -0.21 0.01 -0.09 -0.04 2.03 1.70 3h4mB1 PRO 319 HD2 -0.06 0.14 0.07 -0.04 3.68 3.78 3h4mB1 PRO 319 HD3 0.01 0.15 -0.45 -0.04 3.65 3.32 3h4mB1 ASP 320 H -0.08 0.12 -0.10 -0.55 8.40 7.79 3h4mB1 ASP 320 HA -0.07 0.13 0.20 -0.75 4.63 4.13 3h4mB1 ASP 320 HB2 -0.04 -0.03 -0.01 -0.04 2.71 2.59 3h4mB1 ASP 320 HB3 -0.04 0.06 0.04 -0.04 2.70 2.72 3h4mB1 ILE 321 H -0.04 0.08 -0.59 -0.55 8.25 7.15 3h4mB1 ILE 321 HA -0.03 0.09 0.51 -0.75 4.18 4.00 3h4mB1 ILE 321 HB -0.03 0.02 0.04 -0.04 1.89 1.89 3h4mB1 ILE 321 HG12 -0.02 0.03 0.07 -0.04 1.49 1.53 3h4mB1 ILE 321 HG13 -0.02 -0.00 -0.03 -0.04 1.21 1.12 3h4mB1 ILE 321 HG23 -0.03 -0.03 -0.09 -0.04 0.93 0.74 3h4mB1 ILE 321 HD13 -0.01 -0.02 -0.02 -0.04 0.88 0.79 3h4mB1 LEU 322 H -0.05 0.65 -0.20 -0.55 8.37 8.22 3h4mB1 LEU 322 HA -0.04 0.14 0.37 -0.75 4.35 4.07 3h4mB1 LEU 322 HB2 -0.06 0.03 0.05 -0.04 1.64 1.61 3h4mB1 LEU 322 HB3 -0.06 0.06 -0.08 -0.04 1.64 1.52 3h4mB1 LEU 322 HG -0.07 -0.03 0.02 -0.04 1.64 1.52 3h4mB1 LEU 322 HD13 -0.10 -0.02 -0.09 -0.04 0.93 0.68 3h4mB1 LEU 322 HD23 -0.09 -0.03 -0.16 -0.04 0.89 0.56 3h4mB1 ASP 323 H -0.02 0.49 0.24 -0.55 8.40 8.57 3h4mB1 ASP 323 HA -0.01 0.11 0.58 -0.75 4.63 4.55 3h4mB1 ASP 323 HB2 -0.01 0.03 -0.02 -0.04 2.71 2.67 3h4mB1 ASP 323 HB3 -0.01 0.14 0.05 -0.04 2.70 2.84 3h4mB1 PRO 324 HA -0.00 0.10 0.30 -0.51 4.44 4.33 3h4mB1 PRO 324 HB2 0.00 0.02 0.01 -0.04 2.28 2.26 3h4mB1 PRO 324 HB3 -0.00 0.03 0.11 -0.04 2.02 2.12 3h4mB1 PRO 324 HG2 -0.01 0.01 0.08 -0.04 2.03 2.08 3h4mB1 PRO 324 HG3 -0.01 0.12 0.10 -0.04 2.03 2.19 3h4mB1 PRO 324 HD2 -0.00 0.05 0.19 -0.04 3.68 3.87 3h4mB1 PRO 324 HD3 -0.01 0.25 0.32 -0.04 3.65 4.17 3h4mB1 ALA 325 H 0.01 0.11 -0.52 -0.55 8.40 7.46 3h4mB1 ALA 325 HA 0.02 0.07 0.34 -0.75 4.34 4.01 3h4mB1 ALA 325 HB3 0.01 0.02 0.03 -0.04 1.41 1.43 3h4mB1 ILE 326 H 0.03 0.18 -0.86 -0.55 8.25 7.05 3h4mB1 ILE 326 HA 0.11 0.14 0.43 -0.75 4.18 4.10 3h4mB1 ILE 326 HB 0.03 0.22 0.03 -0.04 1.89 2.13 3h4mB1 ILE 326 HG12 0.07 0.01 -0.19 -0.04 1.49 1.34 3h4mB1 ILE 326 HG13 0.03 0.05 -0.03 -0.04 1.21 1.22 3h4mB1 ILE 326 HG23 0.13 -0.02 -0.13 -0.04 0.93 0.87 3h4mB1 ILE 326 HD13 0.09 -0.02 -0.04 -0.04 0.88 0.87 3h4mB1 LEU 327 H 0.05 0.39 -0.08 -0.55 8.37 8.18 3h4mB1 LEU 327 HA 0.12 0.75 0.89 -0.75 4.35 5.35 3h4mB1 LEU 327 HB2 0.03 0.00 0.10 -0.04 1.64 1.73 3h4mB1 LEU 327 HB3 0.05 -0.01 0.13 -0.04 1.64 1.76 3h4mB1 LEU 327 HG 0.07 -0.04 -0.33 -0.04 1.64 1.30 3h4mB1 LEU 327 HD13 -0.00 -0.04 -0.09 -0.04 0.93 0.76 3h4mB1 LEU 327 HD23 0.05 0.02 -0.18 -0.04 0.89 0.74 3h4mB1 ARG 328 H 0.04 0.09 -0.35 -0.55 8.46 7.69 3h4mB1 ARG 328 HA 0.02 0.02 0.34 -0.75 4.34 3.96 3h4mB1 ARG 328 HB2 0.02 -0.09 0.07 -0.04 1.90 1.86 3h4mB1 ARG 328 HB3 0.02 0.25 0.11 -0.04 1.80 2.14 3h4mB1 ARG 328 HG2 0.01 0.03 -0.10 -0.04 1.67 1.57 3h4mB1 ARG 328 HG3 0.01 -0.10 0.01 -0.04 1.67 1.55 3h4mB1 ARG 328 HD2 0.01 -0.01 0.05 -0.04 3.22 3.22 3h4mB1 ARG 328 HD3 0.00 0.09 0.05 -0.04 3.22 3.33 3h4mB1 PRO 329 HA 0.01 -0.03 0.09 -0.51 4.44 4.00 3h4mB1 PRO 329 HB2 0.00 0.04 -0.04 -0.04 2.28 2.24 3h4mB1 PRO 329 HB3 0.01 0.00 0.11 -0.04 2.02 2.10 3h4mB1 PRO 329 HG2 0.01 0.01 0.02 -0.04 2.03 2.03 3h4mB1 PRO 329 HG3 0.01 0.01 0.08 -0.04 2.03 2.09 3h4mB1 PRO 329 HD2 0.01 -0.00 0.12 -0.04 3.68 3.77 3h4mB1 PRO 329 HD3 0.02 0.27 0.27 -0.04 3.65 4.17 3h4mB1 GLY 330 H -0.02 0.10 0.06 -0.55 8.43 8.03 3h4mB1 GLY 330 HA2 -0.04 0.02 0.40 -0.51 4.01 3.89 3h4mB1 GLY 330 HA3 -0.03 0.21 0.78 -0.51 4.01 4.46 3h4mB1 ARG 331 H -0.03 -0.05 -0.61 -0.55 8.46 7.22 3h4mB1 ARG 331 HA -0.18 0.22 0.71 -0.75 4.34 4.34 3h4mB1 ARG 331 HB2 0.01 0.09 -0.33 -0.04 1.90 1.63 3h4mB1 ARG 331 HB3 0.01 -0.06 0.06 -0.04 1.80 1.77 3h4mB1 ARG 331 HG2 -0.06 -0.04 -0.09 -0.04 1.67 1.44 3h4mB1 ARG 331 HG3 -0.04 0.03 -0.38 -0.04 1.67 1.24 3h4mB1 ARG 331 HD2 0.01 0.18 -0.01 -0.04 3.22 3.36 3h4mB1 ARG 331 HD3 0.04 -0.09 0.01 -0.04 3.22 3.13 3h4mB1 PHE 332 H 0.14 0.55 0.09 -0.55 8.34 8.58 3h4mB1 PHE 332 HA 0.02 0.43 0.98 -0.75 4.62 5.29 3h4mB1 PHE 332 HB2 0.01 0.17 0.10 -0.04 3.15 3.39 3h4mB1 PHE 332 HB3 0.02 -0.07 -0.13 -0.04 3.06 2.84 3h4mB1 PHE 332 HD2 0.01 0.04 -0.31 -0.04 7.28 6.98 3h4mB1 PHE 332 HE2 0.01 0.00 -0.16 -0.04 7.38 7.19 3h4mB1 PHE 332 HZ 0.01 -0.03 -0.16 -0.04 7.32 7.09 3h4mB1 ASP 333 H 0.08 0.26 0.19 -0.55 8.40 8.38 3h4mB1 ASP 333 HA 0.08 0.37 1.15 -0.75 4.63 5.48 3h4mB1 ASP 333 HB2 0.04 -0.01 0.11 -0.04 2.71 2.81 3h4mB1 ASP 333 HB3 0.03 -0.05 -0.06 -0.04 2.70 2.58 3h4mB1 ARG 334 H 0.09 0.10 0.20 -0.55 8.46 8.30 3h4mB1 ARG 334 HA 0.07 0.17 0.88 -0.75 4.34 4.71 3h4mB1 ARG 334 HB2 0.09 -0.10 0.12 -0.04 1.90 1.98 3h4mB1 ARG 334 HB3 0.07 -0.02 -0.04 -0.04 1.80 1.77 3h4mB1 ARG 334 HG2 0.06 0.00 -0.01 -0.04 1.67 1.67 3h4mB1 ARG 334 HG3 0.06 0.04 0.02 -0.04 1.67 1.75 3h4mB1 ARG 334 HD2 0.05 -0.04 -0.03 -0.04 3.22 3.16 3h4mB1 ARG 334 HD3 0.05 0.00 0.02 -0.04 3.22 3.25 3h4mB1 ILE 335 H 0.09 0.23 0.07 -0.55 8.25 8.09 3h4mB1 ILE 335 HA 0.13 0.30 0.65 -0.75 4.18 4.50 3h4mB1 ILE 335 HB 0.23 -0.08 0.01 -0.04 1.89 2.01 3h4mB1 ILE 335 HG12 0.04 0.09 -0.18 -0.04 1.49 1.40 3h4mB1 ILE 335 HG13 0.07 -0.04 -0.06 -0.04 1.21 1.14 3h4mB1 ILE 335 HG23 0.11 0.00 -0.13 -0.04 0.93 0.87 3h4mB1 ILE 335 HD13 0.02 -0.01 -0.02 -0.04 0.88 0.83 3h4mB1 ILE 336 H 0.10 0.62 0.19 -0.55 8.25 8.60 3h4mB1 ILE 336 HA 0.03 0.12 0.87 -0.75 4.18 4.44 3h4mB1 ILE 336 HB 0.02 -0.03 0.10 -0.04 1.89 1.93 3h4mB1 ILE 336 HG12 0.03 0.03 -0.05 -0.04 1.49 1.46 3h4mB1 ILE 336 HG13 0.06 -0.07 -0.17 -0.04 1.21 0.99 3h4mB1 ILE 336 HG23 -0.03 0.03 -0.11 -0.04 0.93 0.77 3h4mB1 ILE 336 HD13 0.04 0.01 -0.10 -0.04 0.88 0.80 3h4mB1 GLU 337 H -0.17 0.16 0.17 -0.55 8.60 8.21 3h4mB1 GLU 337 HA -1.32 0.08 0.72 -0.75 4.29 3.01 3h4mB1 GLU 337 HB2 -0.55 0.02 0.09 -0.04 2.09 1.61 3h4mB1 GLU 337 HB3 -0.22 -0.03 0.13 -0.04 1.99 1.83 3h4mB1 GLU 337 HG2 -0.25 -0.00 -0.28 -0.04 2.34 1.77 3h4mB1 GLU 337 HG3 -0.60 0.04 -0.04 -0.04 2.34 1.70 3h4mB1 VAL 338 H -0.33 1.09 0.34 -0.55 8.24 8.78 3h4mB1 VAL 338 HA -0.09 0.12 0.85 -0.75 4.13 4.26 3h4mB1 VAL 338 HB -0.04 -0.05 0.08 -0.04 2.12 2.08 3h4mB1 VAL 338 HG13 -0.01 -0.02 -0.20 -0.04 0.97 0.70 3h4mB1 VAL 338 HG23 -0.05 0.01 -0.20 -0.04 0.95 0.66 3h4mB1 PRO 339 HA -0.03 0.06 0.31 -0.51 4.44 4.27 3h4mB1 PRO 339 HB2 -0.01 0.10 0.13 -0.04 2.28 2.46 3h4mB1 PRO 339 HB3 -0.03 -0.02 0.06 -0.04 2.02 1.98 3h4mB1 PRO 339 HG2 -0.02 0.09 -0.18 -0.04 2.03 1.87 3h4mB1 PRO 339 HG3 -0.03 0.00 -0.01 -0.04 2.03 1.95 3h4mB1 PRO 339 HD2 -0.05 0.04 0.02 -0.04 3.68 3.65 3h4mB1 PRO 339 HD3 -0.09 0.20 -0.20 -0.04 3.65 3.52 3h4mB1 ALA 340 H 0.00 0.07 0.15 -0.55 8.40 8.07 3h4mB1 ALA 340 HA 0.01 0.09 0.68 -0.75 4.34 4.37 3h4mB1 ALA 340 HB3 0.01 0.03 0.05 -0.04 1.41 1.46 3h4mB1 PRO 341 HA -0.00 0.00 0.47 -0.51 4.44 4.40 3h4mB1 PRO 341 HB2 0.01 -0.02 -0.13 -0.04 2.28 2.10 3h4mB1 PRO 341 HB3 0.01 0.02 0.03 -0.04 2.02 2.03 3h4mB1 PRO 341 HG2 0.01 0.12 0.07 -0.04 2.03 2.19 3h4mB1 PRO 341 HG3 0.02 -0.08 0.02 -0.04 2.03 1.95 3h4mB1 PRO 341 HD2 0.01 0.37 0.39 -0.04 3.68 4.41 3h4mB1 PRO 341 HD3 0.01 0.06 0.34 -0.04 3.65 4.02 3h4mB1 ASP 342 H -0.00 0.07 0.20 -0.55 8.40 8.12 3h4mB1 ASP 342 HA 0.00 0.25 0.73 -0.75 4.63 4.85 3h4mB1 ASP 342 HB2 -0.00 -0.07 0.22 -0.04 2.71 2.82 3h4mB1 ASP 342 HB3 -0.00 0.15 0.17 -0.04 2.70 2.98 3h4mB1 GLU 343 H -0.00 0.20 0.14 -0.55 8.60 8.40 3h4mB1 GLU 343 HA -0.00 0.18 0.27 -0.75 4.29 3.98 3h4mB1 GLU 343 HB2 -0.00 0.07 0.11 -0.04 2.09 2.23 3h4mB1 GLU 343 HB3 -0.00 -0.04 0.06 -0.04 1.99 1.97 3h4mB1 GLU 343 HG2 -0.01 -0.05 -0.17 -0.04 2.34 2.08 3h4mB1 GLU 343 HG3 -0.00 0.11 -0.27 -0.04 2.34 2.14 3h4mB1 LYS 344 H -0.00 0.09 -0.12 -0.55 8.42 7.84 3h4mB1 LYS 344 HA -0.01 0.11 0.43 -0.75 4.32 4.10 3h4mB1 LYS 344 HB2 -0.00 -0.02 0.06 -0.04 1.87 1.87 3h4mB1 LYS 344 HB3 -0.01 0.09 0.07 -0.04 1.79 1.90 3h4mB1 LYS 344 HG2 -0.00 -0.11 0.12 -0.04 1.46 1.43 3h4mB1 LYS 344 HG3 -0.00 -0.00 0.08 -0.04 1.46 1.49 3h4mB1 LYS 344 HD2 -0.00 0.05 0.04 -0.04 1.69 1.73 3h4mB1 LYS 344 HD3 -0.00 0.04 0.03 -0.04 1.68 1.71 3h4mB1 LYS 344 HE2 -0.00 0.02 0.01 -0.04 2.99 2.97 3h4mB1 LYS 344 HE3 -0.00 -0.06 0.03 -0.04 2.99 2.92 3h4mB1 GLY 345 H -0.00 0.03 -0.17 -0.55 8.43 7.74 3h4mB1 GLY 345 HA2 -0.00 -0.07 0.39 -0.51 4.01 3.82 3h4mB1 GLY 345 HA3 -0.00 0.04 0.33 -0.51 4.01 3.87 3h4mB1 ARG 346 H 0.00 0.92 -0.23 -0.55 8.46 8.60 3h4mB1 ARG 346 HA 0.01 -0.02 0.32 -0.75 4.34 3.90 3h4mB1 ARG 346 HB2 0.00 0.03 0.07 -0.04 1.90 1.96 3h4mB1 ARG 346 HB3 -0.00 -0.05 -0.06 -0.04 1.80 1.65 3h4mB1 ARG 346 HG2 0.01 -0.10 -0.07 -0.04 1.67 1.47 3h4mB1 ARG 346 HG3 0.01 0.13 -0.15 -0.04 1.67 1.62 3h4mB1 ARG 346 HD2 0.01 -0.08 -0.06 -0.04 3.22 3.05 3h4mB1 ARG 346 HD3 0.01 0.14 -0.05 -0.04 3.22 3.28 3h4mB1 LEU 347 H -0.01 0.70 -0.08 -0.55 8.37 8.44 3h4mB1 LEU 347 HA -0.02 -0.03 0.36 -0.75 4.35 3.91 3h4mB1 LEU 347 HB2 -0.02 0.02 0.13 -0.04 1.64 1.73 3h4mB1 LEU 347 HB3 -0.01 0.15 0.19 -0.04 1.64 1.92 3h4mB1 LEU 347 HG -0.02 0.01 -0.21 -0.04 1.64 1.38 3h4mB1 LEU 347 HD13 -0.04 -0.01 -0.17 -0.04 0.93 0.68 3h4mB1 LEU 347 HD23 -0.02 -0.01 -0.02 -0.04 0.89 0.80 3h4mB1 GLU 348 H -0.01 0.49 -0.11 -0.55 8.60 8.42 3h4mB1 GLU 348 HA -0.01 0.03 0.34 -0.75 4.29 3.89 3h4mB1 GLU 348 HB2 -0.01 -0.03 0.13 -0.04 2.09 2.14 3h4mB1 GLU 348 HB3 -0.01 0.03 0.06 -0.04 1.99 2.02 3h4mB1 GLU 348 HG2 -0.01 0.02 0.02 -0.04 2.34 2.33 3h4mB1 GLU 348 HG3 -0.01 0.23 0.02 -0.04 2.34 2.54 3h4mB1 ILE 349 H 0.01 0.56 -0.15 -0.55 8.25 8.12 3h4mB1 ILE 349 HA -0.01 -0.01 0.26 -0.75 4.18 3.66 3h4mB1 ILE 349 HB 0.05 0.20 0.13 -0.04 1.89 2.22 3h4mB1 ILE 349 HG12 0.03 -0.06 0.05 -0.04 1.49 1.47 3h4mB1 ILE 349 HG13 0.01 -0.10 -0.04 -0.04 1.21 1.04 3h4mB1 ILE 349 HG23 0.17 -0.02 -0.08 -0.04 0.93 0.95 3h4mB1 ILE 349 HD13 0.03 -0.01 -0.14 -0.04 0.88 0.72 3h4mB1 LEU 350 H 0.02 0.52 -0.21 -0.55 8.37 8.15 3h4mB1 LEU 350 HA 0.08 0.00 0.31 -0.75 4.35 3.99 3h4mB1 LEU 350 HB2 -0.02 0.11 0.08 -0.04 1.64 1.77 3h4mB1 LEU 350 HB3 -0.05 -0.07 -0.06 -0.04 1.64 1.42 3h4mB1 LEU 350 HG 0.02 0.08 -0.07 -0.04 1.64 1.62 3h4mB1 LEU 350 HD13 -0.05 -0.02 -0.17 -0.04 0.93 0.65 3h4mB1 LEU 350 HD23 0.03 -0.01 -0.08 -0.04 0.89 0.79 3h4mB1 LYS 351 H -0.01 0.52 -0.22 -0.55 8.42 8.15 3h4mB1 LYS 351 HA -0.01 0.01 0.51 -0.75 4.32 4.07 3h4mB1 LYS 351 HB2 -0.02 0.12 0.17 -0.04 1.87 2.10 3h4mB1 LYS 351 HB3 -0.02 -0.03 0.05 -0.04 1.79 1.75 3h4mB1 LYS 351 HG2 -0.03 -0.11 -0.02 -0.04 1.46 1.27 3h4mB1 LYS 351 HG3 -0.02 0.28 0.02 -0.04 1.46 1.69 3h4mB1 LYS 351 HD2 -0.02 0.03 -0.01 -0.04 1.69 1.65 3h4mB1 LYS 351 HD3 -0.02 -0.03 -0.02 -0.04 1.68 1.57 3h4mB1 LYS 351 HE2 -0.02 -0.07 -0.09 -0.04 2.99 2.77 3h4mB1 LYS 351 HE3 -0.02 -0.01 -0.15 -0.04 2.99 2.77 3h4mB1 ILE 352 H -0.04 0.52 -0.05 -0.55 8.25 8.14 3h4mB1 ILE 352 HA -0.07 0.02 0.28 -0.75 4.18 3.66 3h4mB1 ILE 352 HB -0.22 0.12 0.19 -0.04 1.89 1.94 3h4mB1 ILE 352 HG12 -0.08 0.09 0.04 -0.04 1.49 1.51 3h4mB1 ILE 352 HG13 -0.06 0.07 0.01 -0.04 1.21 1.19 3h4mB1 ILE 352 HG23 -0.30 0.02 -0.14 -0.04 0.93 0.47 3h4mB1 ILE 352 HD13 -0.07 -0.07 -0.36 -0.04 0.88 0.34 3h4mB1 HIS 353 H -0.01 0.53 -0.11 -0.55 8.41 8.28 3h4mB1 HIS 353 HA 0.01 0.09 0.39 -0.75 4.63 4.36 3h4mB1 HIS 353 HB2 0.03 0.04 0.04 -0.04 3.26 3.33 3h4mB1 HIS 353 HB3 0.03 -0.03 0.06 -0.04 3.20 3.22 3h4mB1 HIS 353 HD2 0.01 0.02 -0.06 -0.04 6.97 6.89 3h4mB1 HIS 353 HE1 -0.01 -0.01 -0.02 -0.04 7.75 7.66 3h4mB1 THR 354 H 0.06 0.38 -0.46 -0.55 8.28 7.72 3h4mB1 THR 354 HA 0.12 0.13 0.82 -0.75 4.39 4.70 3h4mB1 THR 354 HB 0.11 -0.07 0.11 -0.04 4.32 4.43 3h4mB1 THR 354 HG23 0.13 0.01 -0.03 -0.04 1.22 1.29 3h4mB1 ARG 355 H 0.02 0.43 -0.13 -0.55 8.46 8.23 3h4mB1 ARG 355 HA 0.02 -0.02 0.29 -0.75 4.34 3.88 3h4mB1 ARG 355 HB2 -0.01 -0.01 0.13 -0.04 1.90 1.97 3h4mB1 ARG 355 HB3 -0.01 0.23 0.13 -0.04 1.80 2.10 3h4mB1 ARG 355 HG2 0.00 0.01 -0.20 -0.04 1.67 1.44 3h4mB1 ARG 355 HG3 -0.00 -0.06 0.04 -0.04 1.67 1.60 3h4mB1 ARG 355 HD2 -0.02 0.04 -0.07 -0.04 3.22 3.13 3h4mB1 ARG 355 HD3 -0.01 -0.05 -0.06 -0.04 3.22 3.06 3h4mB1 LYS 356 H 0.04 0.10 -0.74 -0.55 8.42 7.27 3h4mB1 LYS 356 HA 0.02 0.17 0.84 -0.75 4.32 4.60 3h4mB1 LYS 356 HB2 0.03 0.02 -0.02 -0.04 1.87 1.86 3h4mB1 LYS 356 HB3 0.02 -0.03 0.07 -0.04 1.79 1.81 3h4mB1 LYS 356 HG2 0.01 0.02 0.04 -0.04 1.46 1.49 3h4mB1 LYS 356 HG3 0.01 -0.01 -0.11 -0.04 1.46 1.31 3h4mB1 LYS 356 HD2 0.01 -0.01 0.01 -0.04 1.69 1.66 3h4mB1 LYS 356 HD3 0.00 -0.01 -0.01 -0.04 1.68 1.62 3h4mB1 LYS 356 HE2 0.00 0.00 -0.04 -0.04 2.99 2.92 3h4mB1 LYS 356 HE3 0.02 0.01 -0.03 -0.04 2.99 2.95 3h4mB1 MET 357 H 0.05 0.97 0.08 -0.55 8.47 9.02 3h4mB1 MET 357 HA 0.04 0.21 1.18 -0.75 4.52 5.19 3h4mB1 MET 357 HB2 0.05 -0.07 -0.01 -0.04 2.15 2.07 3h4mB1 MET 357 HB3 0.04 0.02 -0.09 -0.04 2.03 1.96 3h4mB1 MET 357 HG2 0.09 0.18 0.28 -0.04 2.63 3.14 3h4mB1 MET 357 HG3 0.13 -0.10 -0.00 -0.04 2.56 2.55 3h4mB1 MET 357 HE3 -0.02 -0.01 -0.00 -0.04 2.10 2.03 3h4mB1 ASN 358 H 0.05 0.17 0.15 -0.55 8.53 8.35 3h4mB1 ASN 358 HA 0.05 0.07 0.45 -0.75 4.76 4.59 3h4mB1 ASN 358 HB2 0.05 0.04 0.20 -0.04 2.88 3.13 3h4mB1 ASN 358 HB3 0.08 0.00 0.36 -0.04 2.79 3.20 3h4mB1 ASN 358 HD21 0.07 -0.10 -0.05 -0.04 7.03 6.91 3h4mB1 ASN 358 HD22 0.13 0.70 0.22 -0.04 7.74 8.76 3h4mB1 LEU 359 H 0.07 0.23 0.29 -0.55 8.37 8.41 3h4mB1 LEU 359 HA 0.15 -0.02 0.57 -0.75 4.35 4.29 3h4mB1 LEU 359 HB2 0.07 0.02 0.18 -0.04 1.64 1.87 3h4mB1 LEU 359 HB3 0.10 0.08 0.02 -0.04 1.64 1.80 3h4mB1 LEU 359 HG 0.11 0.25 0.02 -0.04 1.64 1.98 3h4mB1 LEU 359 HD13 0.04 -0.02 -0.03 -0.04 0.93 0.88 3h4mB1 LEU 359 HD23 0.34 -0.04 -0.12 -0.04 0.89 1.03 3h4mB1 ALA 360 H 0.17 0.67 0.36 -0.55 8.40 9.05 3h4mB1 ALA 360 HA 0.10 0.11 0.48 -0.75 4.34 4.28 3h4mB1 ALA 360 HB3 0.17 -0.07 0.09 -0.04 1.41 1.56 3h4mB1 GLU 361 H 0.04 0.13 0.21 -0.55 8.60 8.42 3h4mB1 GLU 361 HA 0.02 0.23 0.43 -0.75 4.29 4.22 3h4mB1 GLU 361 HB2 0.00 -0.03 0.17 -0.04 2.09 2.19 3h4mB1 GLU 361 HB3 0.01 0.01 -0.01 -0.04 1.99 1.95 3h4mB1 GLU 361 HG2 0.00 0.07 0.04 -0.04 2.34 2.41 3h4mB1 GLU 361 HG3 -0.01 0.01 0.04 -0.04 2.34 2.34 3h4mB1 ASP 362 H 0.05 -0.05 -0.09 -0.55 8.40 7.76 3h4mB1 ASP 362 HA 0.02 0.20 0.43 -0.75 4.63 4.53 3h4mB1 ASP 362 HB2 0.04 0.05 0.11 -0.04 2.71 2.87 3h4mB1 ASP 362 HB3 0.04 0.05 0.08 -0.04 2.70 2.83 3h4mB1 VAL 363 H 0.06 0.24 -0.70 -0.55 8.24 7.30 3h4mB1 VAL 363 HA 0.05 -0.13 0.27 -0.75 4.13 3.58 3h4mB1 VAL 363 HB 0.06 0.25 0.06 -0.04 2.12 2.44 3h4mB1 VAL 363 HG13 -0.10 -0.02 -0.24 -0.04 0.97 0.57 3h4mB1 VAL 363 HG23 0.21 -0.09 -0.10 -0.04 0.95 0.93 3h4mB1 ASN 364 H -0.03 0.13 0.25 -0.55 8.53 8.34 3h4mB1 ASN 364 HA -0.04 0.24 1.04 -0.75 4.76 5.24 3h4mB1 ASN 364 HB2 -0.01 0.17 0.05 -0.04 2.88 3.05 3h4mB1 ASN 364 HB3 -0.02 -0.01 0.21 -0.04 2.79 2.93 3h4mB1 ASN 364 HD21 -0.02 0.01 -0.03 -0.04 7.03 6.96 3h4mB1 ASN 364 HD22 -0.01 0.09 0.01 -0.04 7.74 7.79 3h4mB1 LEU 365 H -0.08 0.32 0.10 -0.55 8.37 8.16 3h4mB1 LEU 365 HA -0.18 0.09 0.40 -0.75 4.35 3.91 3h4mB1 LEU 365 HB2 -0.08 0.04 0.07 -0.04 1.64 1.63 3h4mB1 LEU 365 HB3 -0.09 0.03 -0.06 -0.04 1.64 1.47 3h4mB1 LEU 365 HG -0.15 0.06 -0.10 -0.04 1.64 1.41 3h4mB1 LEU 365 HD13 -0.07 0.03 -0.17 -0.04 0.93 0.68 3h4mB1 LEU 365 HD23 -0.35 -0.01 -0.12 -0.04 0.89 0.37 3h4mB1 GLU 366 H -0.05 0.15 -0.05 -0.55 8.60 8.11 3h4mB1 GLU 366 HA -0.03 0.09 0.41 -0.75 4.29 4.01 3h4mB1 GLU 366 HB2 -0.03 -0.03 0.07 -0.04 2.09 2.06 3h4mB1 GLU 366 HB3 -0.02 0.06 -0.07 -0.04 1.99 1.93 3h4mB1 GLU 366 HG2 -0.02 0.06 0.02 -0.04 2.34 2.36 3h4mB1 GLU 366 HG3 -0.02 0.01 0.04 -0.04 2.34 2.34 3h4mB1 GLU 367 H -0.04 0.10 -0.58 -0.55 8.60 7.54 3h4mB1 GLU 367 HA -0.02 0.10 0.31 -0.75 4.29 3.93 3h4mB1 GLU 367 HB2 -0.02 -0.02 0.02 -0.04 2.09 2.04 3h4mB1 GLU 367 HB3 -0.04 0.26 0.11 -0.04 1.99 2.29 3h4mB1 GLU 367 HG2 -0.01 -0.01 -0.02 -0.04 2.34 2.26 3h4mB1 GLU 367 HG3 -0.01 0.02 -0.33 -0.04 2.34 1.98 3h4mB1 ILE 368 H -0.07 0.20 -0.08 -0.55 8.25 7.75 3h4mB1 ILE 368 HA -0.02 0.09 0.32 -0.75 4.18 3.82 3h4mB1 ILE 368 HB -0.13 0.04 0.07 -0.04 1.89 1.83 3h4mB1 ILE 368 HG12 -0.03 0.01 -0.06 -0.04 1.49 1.37 3h4mB1 ILE 368 HG13 -0.08 -0.02 0.04 -0.04 1.21 1.12 3h4mB1 ILE 368 HG23 -0.02 0.01 -0.15 -0.04 0.93 0.73 3h4mB1 ILE 368 HD13 -0.43 -0.03 -0.11 -0.04 0.88 0.28 3h4mB1 ALA 369 H -0.04 0.49 -0.19 -0.55 8.40 8.11 3h4mB1 ALA 369 HA -0.01 0.03 0.34 -0.75 4.34 3.94 3h4mB1 ALA 369 HB3 -0.02 0.05 0.05 -0.04 1.41 1.45 3h4mB1 LYS 370 H -0.02 0.33 -0.35 -0.55 8.42 7.83 3h4mB1 LYS 370 HA -0.00 -0.06 0.31 -0.75 4.32 3.81 3h4mB1 LYS 370 HB2 -0.01 0.11 0.20 -0.04 1.87 2.13 3h4mB1 LYS 370 HB3 -0.01 0.10 0.04 -0.04 1.79 1.88 3h4mB1 LYS 370 HG2 -0.00 -0.00 0.03 -0.04 1.46 1.45 3h4mB1 LYS 370 HG3 -0.00 -0.06 0.09 -0.04 1.46 1.45 3h4mB1 LYS 370 HD2 -0.01 0.05 0.01 -0.04 1.69 1.70 3h4mB1 LYS 370 HD3 -0.01 -0.02 -0.01 -0.04 1.68 1.61 3h4mB1 LYS 370 HE2 -0.00 -0.04 0.01 -0.04 2.99 2.92 3h4mB1 LYS 370 HE3 -0.00 -0.02 -0.01 -0.04 2.99 2.92 3h4mB1 MET 371 H -0.01 0.31 -0.78 -0.55 8.47 7.44 3h4mB1 MET 371 HA 0.00 0.05 0.32 -0.75 4.52 4.14 3h4mB1 MET 371 HB2 -0.00 0.04 0.10 -0.04 2.15 2.25 3h4mB1 MET 371 HB3 0.01 0.01 -0.03 -0.04 2.03 1.98 3h4mB1 MET 371 HG2 0.01 -0.02 0.03 -0.04 2.63 2.61 3h4mB1 MET 371 HG3 0.01 0.00 0.04 -0.04 2.56 2.57 3h4mB1 MET 371 HE3 0.03 -0.02 -0.05 -0.04 2.10 2.02 3h4mB1 THR 372 H 0.00 0.44 -0.36 -0.55 8.28 7.81 3h4mB1 THR 372 HA 0.01 0.26 0.96 -0.75 4.39 4.86 3h4mB1 THR 372 HB 0.01 -0.12 0.14 -0.04 4.32 4.31 3h4mB1 THR 372 HG23 0.02 -0.02 -0.17 -0.04 1.22 1.01 3h4mB1 GLU 373 H 0.00 0.19 -0.15 -0.55 8.60 8.09 3h4mB1 GLU 373 HA 0.00 -0.01 0.51 -0.75 4.29 4.03 3h4mB1 GLU 373 HB2 0.00 0.04 0.05 -0.04 2.09 2.15 3h4mB1 GLU 373 HB3 0.01 -0.02 0.04 -0.04 1.99 1.97 3h4mB1 GLU 373 HG2 0.00 0.06 0.06 -0.04 2.34 2.42 3h4mB1 GLU 373 HG3 0.00 0.05 0.06 -0.04 2.34 2.40 3h4mB1 GLY 374 H 0.01 0.09 0.16 -0.55 8.43 8.15 3h4mB1 GLY 374 HA2 0.01 -0.05 0.35 -0.51 4.01 3.81 3h4mB1 GLY 374 HA3 0.01 0.11 0.51 -0.51 4.01 4.13 3h4mB1 CYS 375 H 0.01 0.39 -0.24 -0.55 8.50 8.11 3h4mB1 CYS 375 HA 0.01 0.09 0.58 -0.75 4.58 4.50 3h4mB1 CYS 375 HB2 0.01 0.36 0.12 -0.04 2.97 3.42 3h4mB1 CYS 375 HB3 0.01 -0.11 -0.10 -0.04 2.97 2.73 3h4mB1 VAL 376 H 0.01 0.11 0.22 -0.55 8.24 8.03 3h4mB1 VAL 376 HA 0.01 0.22 0.95 -0.75 4.13 4.56 3h4mB1 VAL 376 HB 0.01 0.10 0.05 -0.04 2.12 2.24 3h4mB1 VAL 376 HG13 0.01 0.04 -0.11 -0.04 0.97 0.87 3h4mB1 VAL 376 HG23 0.01 -0.02 0.06 -0.04 0.95 0.95 3h4mB1 GLY 377 H 0.02 0.26 0.25 -0.55 8.43 8.41 3h4mB1 GLY 377 HA2 0.05 0.01 0.39 -0.51 4.01 3.95 3h4mB1 GLY 377 HA3 0.04 0.11 0.35 -0.51 4.01 4.01 3h4mB1 ALA 378 H 0.01 0.50 -0.06 -0.55 8.40 8.31 3h4mB1 ALA 378 HA -0.03 0.04 0.39 -0.75 4.34 3.99 3h4mB1 ALA 378 HB3 -0.00 -0.00 0.10 -0.04 1.41 1.46 3h4mB1 GLU 379 H -0.00 0.33 -0.15 -0.55 8.60 8.23 3h4mB1 GLU 379 HA -0.01 0.08 0.51 -0.75 4.29 4.11 3h4mB1 GLU 379 HB2 0.00 0.02 0.23 -0.04 2.09 2.30 3h4mB1 GLU 379 HB3 0.00 0.03 0.01 -0.04 1.99 2.00 3h4mB1 GLU 379 HG2 0.00 0.06 0.04 -0.04 2.34 2.40 3h4mB1 GLU 379 HG3 0.00 -0.08 0.03 -0.04 2.34 2.25 3h4mB1 LEU 380 H 0.00 0.48 -0.06 -0.55 8.37 8.24 3h4mB1 LEU 380 HA 0.02 0.03 0.46 -0.75 4.35 4.11 3h4mB1 LEU 380 HB2 0.04 0.11 0.06 -0.04 1.64 1.80 3h4mB1 LEU 380 HB3 0.05 -0.03 -0.07 -0.04 1.64 1.55 3h4mB1 LEU 380 HG 0.02 0.07 -0.20 -0.04 1.64 1.50 3h4mB1 LEU 380 HD13 0.03 0.00 -0.10 -0.04 0.93 0.82 3h4mB1 LEU 380 HD23 0.02 0.01 -0.10 -0.04 0.89 0.77 3h4mB1 LYS 381 H -0.12 0.58 -0.08 -0.55 8.42 8.25 3h4mB1 LYS 381 HA -0.34 0.03 0.41 -0.75 4.32 3.66 3h4mB1 LYS 381 HB2 -0.34 0.07 0.12 -0.04 1.87 1.68 3h4mB1 LYS 381 HB3 -0.20 0.08 -0.05 -0.04 1.79 1.58 3h4mB1 LYS 381 HG2 -1.68 -0.00 0.04 -0.04 1.46 -0.23 3h4mB1 LYS 381 HG3 -0.45 -0.02 -0.02 -0.04 1.46 0.93 3h4mB1 LYS 381 HD2 -0.14 0.00 -0.09 -0.04 1.69 1.42 3h4mB1 LYS 381 HD3 -0.18 -0.06 -0.08 -0.04 1.68 1.32 3h4mB1 LYS 381 HE2 -0.03 0.02 -0.01 -0.04 2.99 2.94 3h4mB1 LYS 381 HE3 0.00 0.01 -0.00 -0.04 2.99 2.96 3h4mB1 ALA 382 H -0.07 0.37 -0.37 -0.55 8.40 7.78 3h4mB1 ALA 382 HA -0.05 0.00 0.33 -0.75 4.34 3.87 3h4mB1 ALA 382 HB3 -0.02 0.08 0.16 -0.04 1.41 1.58 3h4mB1 ILE 383 H -0.00 0.59 -0.13 -0.55 8.25 8.15 3h4mB1 ILE 383 HA 0.01 -0.02 0.41 -0.75 4.18 3.83 3h4mB1 ILE 383 HB 0.06 0.16 0.21 -0.04 1.89 2.27 3h4mB1 ILE 383 HG12 0.04 -0.03 -0.19 -0.04 1.49 1.26 3h4mB1 ILE 383 HG13 0.02 0.10 0.02 -0.04 1.21 1.31 3h4mB1 ILE 383 HG23 0.17 -0.03 -0.19 -0.04 0.93 0.85 3h4mB1 ILE 383 HD13 0.04 -0.02 -0.11 -0.04 0.88 0.75 3h4mB1 CYS 384 H 0.05 0.71 -0.05 -0.55 8.50 8.67 3h4mB1 CYS 384 HA 0.21 -0.08 0.35 -0.75 4.58 4.31 3h4mB1 CYS 384 HB2 0.02 0.15 0.15 -0.04 2.97 3.26 3h4mB1 CYS 384 HB3 0.11 0.03 -0.04 -0.04 2.97 3.02 3h4mB1 THR 385 H -0.03 0.51 -0.37 -0.55 8.28 7.84 3h4mB1 THR 385 HA -0.04 0.14 0.90 -0.75 4.39 4.63 3h4mB1 THR 385 HB -0.03 -0.05 0.11 -0.04 4.32 4.32 3h4mB1 THR 385 HG23 -0.03 0.07 -0.06 -0.04 1.22 1.16 3h4mB1 GLU 386 H -0.05 0.48 -0.09 -0.55 8.60 8.39 3h4mB1 GLU 386 HA -0.06 0.12 0.77 -0.75 4.29 4.37 3h4mB1 GLU 386 HB2 -0.04 0.16 0.23 -0.04 2.09 2.41 3h4mB1 GLU 386 HB3 -0.05 -0.08 0.01 -0.04 1.99 1.84 3h4mB1 GLU 386 HG2 -0.03 0.03 0.03 -0.04 2.34 2.33 3h4mB1 GLU 386 HG3 -0.03 -0.00 0.03 -0.04 2.34 2.30 3h4mB1 ALA 387 H -0.17 0.66 -0.00 -0.55 8.40 8.35 3h4mB1 ALA 387 HA -0.27 0.03 0.31 -0.75 4.34 3.65 3h4mB1 ALA 387 HB3 -0.88 0.03 -0.05 -0.04 1.41 0.47 3h4mB1 GLY 388 H -0.17 0.39 -0.32 -0.55 8.43 7.78 3h4mB1 GLY 388 HA2 -0.13 -0.02 0.34 -0.51 4.01 3.70 3h4mB1 GLY 388 HA3 -0.09 0.15 0.24 -0.51 4.01 3.80 3h4mB1 MET 389 H -0.09 0.24 -0.61 -0.55 8.47 7.46 3h4mB1 MET 389 HA -0.06 0.03 0.41 -0.75 4.52 4.15 3h4mB1 MET 389 HB2 -0.06 0.10 0.25 -0.04 2.15 2.40 3h4mB1 MET 389 HB3 -0.05 -0.05 0.00 -0.04 2.03 1.89 3h4mB1 MET 389 HG2 -0.05 0.29 0.15 -0.04 2.63 2.98 3h4mB1 MET 389 HG3 -0.04 -0.04 0.06 -0.04 2.56 2.49 3h4mB1 MET 389 HE3 -0.03 -0.01 0.01 -0.04 2.10 2.03 3h4mB1 ASN 390 H -0.11 0.60 -0.13 -0.55 8.53 8.35 3h4mB1 ASN 390 HA -0.07 0.05 0.47 -0.75 4.76 4.45 3h4mB1 ASN 390 HB2 -0.13 0.10 0.23 -0.04 2.88 3.03 3h4mB1 ASN 390 HB3 -0.09 -0.10 0.03 -0.04 2.79 2.59 3h4mB1 ASN 390 HD21 -0.05 -0.05 -0.10 -0.04 7.03 6.79 3h4mB1 ASN 390 HD22 -0.09 0.05 0.09 -0.04 7.74 7.75 3h4mB1 ALA 391 H -0.13 0.46 -0.23 -0.55 8.40 7.95 3h4mB1 ALA 391 HA -0.15 -0.04 0.33 -0.75 4.34 3.72 3h4mB1 ALA 391 HB3 -0.15 -0.01 -0.04 -0.04 1.41 1.16 3h4mB1 ILE 392 H -0.08 0.63 -0.10 -0.55 8.25 8.15 3h4mB1 ILE 392 HA -0.06 0.10 0.37 -0.75 4.18 3.84 3h4mB1 ILE 392 HB -0.05 0.11 0.17 -0.04 1.89 2.08 3h4mB1 ILE 392 HG12 -0.05 0.13 0.07 -0.04 1.49 1.59 3h4mB1 ILE 392 HG13 -0.04 -0.05 -0.01 -0.04 1.21 1.07 3h4mB1 ILE 392 HG23 -0.03 -0.02 -0.10 -0.04 0.93 0.74 3h4mB1 ILE 392 HD13 -0.03 0.01 0.02 -0.04 0.88 0.84 3h4mB1 ARG 393 H -0.06 0.50 -0.42 -0.55 8.46 7.92 3h4mB1 ARG 393 HA -0.04 -0.00 0.30 -0.75 4.34 3.85 3h4mB1 ARG 393 HB2 -0.05 0.17 0.20 -0.04 1.90 2.17 3h4mB1 ARG 393 HB3 -0.04 -0.09 0.11 -0.04 1.80 1.75 3h4mB1 ARG 393 HG2 -0.03 -0.05 0.05 -0.04 1.67 1.60 3h4mB1 ARG 393 HG3 -0.04 0.16 0.05 -0.04 1.67 1.80 3h4mB1 ARG 393 HD2 -0.03 -0.03 0.02 -0.04 3.22 3.13 3h4mB1 ARG 393 HD3 -0.03 -0.04 -0.00 -0.04 3.22 3.10 3h4mB1 GLU 394 H -0.07 0.52 -0.53 -0.55 8.60 7.97 3h4mB1 GLU 394 HA -0.04 0.15 0.89 -0.75 4.29 4.54 3h4mB1 GLU 394 HB2 -0.08 0.06 0.08 -0.04 2.09 2.11 3h4mB1 GLU 394 HB3 -0.08 -0.09 0.14 -0.04 1.99 1.92 3h4mB1 GLU 394 HG2 -0.04 -0.05 0.10 -0.04 2.34 2.31 3h4mB1 GLU 394 HG3 -0.04 0.08 0.09 -0.04 2.34 2.44 3h4mB1 LEU 395 H -0.05 0.78 0.04 -0.55 8.37 8.59 3h4mB1 LEU 395 HA -0.03 0.07 0.42 -0.75 4.35 4.06 3h4mB1 LEU 395 HB2 -0.02 0.11 -0.22 -0.04 1.64 1.46 3h4mB1 LEU 395 HB3 -0.01 -0.07 0.23 -0.04 1.64 1.75 3h4mB1 LEU 395 HG -0.02 0.00 -0.10 -0.04 1.64 1.48 3h4mB1 LEU 395 HD13 -0.01 -0.02 0.01 -0.04 0.93 0.87 3h4mB1 LEU 395 HD23 -0.02 0.04 0.11 -0.04 0.89 0.98 3h4mB1 ARG 396 H -0.10 0.17 -0.50 -0.55 8.46 7.48 3h4mB1 ARG 396 HA -0.06 0.13 0.63 -0.75 4.34 4.29 3h4mB1 ARG 396 HB2 -0.27 0.12 0.06 -0.04 1.90 1.77 3h4mB1 ARG 396 HB3 -0.64 -0.33 0.18 -0.04 1.80 0.97 3h4mB1 ARG 396 HG2 -0.43 -0.06 0.07 -0.04 1.67 1.21 3h4mB1 ARG 396 HG3 -0.13 0.15 -0.03 -0.04 1.67 1.62 3h4mB1 ARG 396 HD2 -0.22 -0.06 0.03 -0.04 3.22 2.92 3h4mB1 ARG 396 HD3 -0.16 0.07 0.03 -0.04 3.22 3.13 3h4mB1 ASP 397 H -0.26 -0.19 0.27 -0.55 8.40 7.68 3h4mB1 ASP 397 HA 0.03 0.17 0.27 -0.75 4.63 4.35 3h4mB1 ASP 397 HB2 0.11 0.10 -0.14 -0.04 2.71 2.74 3h4mB1 ASP 397 HB3 0.38 -0.04 0.00 -0.04 2.70 3.00 3h4mB1 TYR 398 H -0.25 -0.05 0.19 -0.55 8.29 7.63 3h4mB1 TYR 398 HA 0.01 0.39 0.79 -0.75 4.56 5.00 3h4mB1 TYR 398 HB2 0.02 -0.02 -0.14 -0.04 3.06 2.88 3h4mB1 TYR 398 HB3 0.01 0.12 -0.20 -0.04 2.98 2.87 3h4mB1 TYR 398 HD2 0.01 -0.04 -0.15 -0.04 7.15 6.93 3h4mB1 TYR 398 HE2 0.00 0.03 0.00 -0.04 6.85 6.84 3h4mB1 VAL 399 H 0.11 0.60 0.32 -0.55 8.24 8.72 3h4mB1 VAL 399 HA -0.10 0.15 0.84 -0.75 4.13 4.26 3h4mB1 VAL 399 HB 0.04 0.00 0.01 -0.04 2.12 2.13 3h4mB1 VAL 399 HG13 -0.43 0.04 -0.19 -0.04 0.97 0.36 3h4mB1 VAL 399 HG23 -0.08 0.06 -0.15 -0.04 0.95 0.74 3h4mB1 THR 400 H -0.05 0.16 0.21 -0.55 8.28 8.05 3h4mB1 THR 400 HA 0.12 0.15 0.60 -0.75 4.39 4.51 3h4mB1 THR 400 HB 0.02 -0.38 0.08 -0.04 4.32 4.00 3h4mB1 THR 400 HG23 0.07 0.02 0.09 -0.04 1.22 1.36 3h4mB1 MET 401 H 0.11 0.20 0.07 -0.55 8.47 8.31 3h4mB1 MET 401 HA 0.22 0.09 0.40 -0.75 4.52 4.48 3h4mB1 MET 401 HB2 0.07 -0.01 0.00 -0.04 2.15 2.17 3h4mB1 MET 401 HB3 0.07 0.08 -0.07 -0.04 2.03 2.06 3h4mB1 MET 401 HG2 0.04 -0.06 0.12 -0.04 2.63 2.69 3h4mB1 MET 401 HG3 0.03 0.16 0.10 -0.04 2.56 2.81 3h4mB1 MET 401 HE3 0.04 0.01 0.00 -0.04 2.10 2.11 3h4mB1 ASP 402 H 0.07 0.00 -0.38 -0.55 8.40 7.54 3h4mB1 ASP 402 HA 0.05 0.14 0.32 -0.75 4.63 4.39 3h4mB1 ASP 402 HB2 0.03 -0.00 0.03 -0.04 2.71 2.73 3h4mB1 ASP 402 HB3 0.01 0.04 -0.02 -0.04 2.70 2.69 3h4mB1 ASP 403 H -0.00 -0.03 -0.12 -0.55 8.40 7.70 3h4mB1 ASP 403 HA -0.07 0.12 0.51 -0.75 4.63 4.44 3h4mB1 ASP 403 HB2 -0.23 0.06 0.14 -0.04 2.71 2.65 3h4mB1 ASP 403 HB3 -0.23 0.13 0.14 -0.04 2.70 2.70 3h4mB1 PHE 404 H 0.11 0.44 -0.31 -0.55 8.34 8.04 3h4mB1 PHE 404 HA -0.00 0.02 0.28 -0.75 4.62 4.16 3h4mB1 PHE 404 HB2 0.01 0.10 0.14 -0.04 3.15 3.36 3h4mB1 PHE 404 HB3 0.00 -0.01 -0.04 -0.04 3.06 2.97 3h4mB1 PHE 404 HD2 0.01 0.01 -0.16 -0.04 7.28 7.09 3h4mB1 PHE 404 HE2 0.01 0.02 -0.13 -0.04 7.38 7.24 3h4mB1 PHE 404 HZ 0.02 0.09 -0.07 -0.04 7.32 7.31 3h4mB1 ARG 405 H 0.12 0.41 -0.11 -0.55 8.46 8.33 3h4mB1 ARG 405 HA 0.07 0.00 0.25 -0.75 4.34 3.92 3h4mB1 ARG 405 HB2 0.04 0.07 0.16 -0.04 1.90 2.13 3h4mB1 ARG 405 HB3 0.03 0.00 -0.01 -0.04 1.80 1.78 3h4mB1 ARG 405 HG2 0.05 -0.02 0.02 -0.04 1.67 1.68 3h4mB1 ARG 405 HG3 0.06 0.07 -0.01 -0.04 1.67 1.75 3h4mB1 ARG 405 HD2 0.03 -0.03 -0.03 -0.04 3.22 3.14 3h4mB1 ARG 405 HD3 0.02 0.03 -0.01 -0.04 3.22 3.22 3h4mB1 LYS 406 H 0.02 0.45 -0.29 -0.55 8.42 8.04 3h4mB1 LYS 406 HA 0.01 0.02 0.43 -0.75 4.32 4.03 3h4mB1 LYS 406 HB2 -0.02 0.09 0.12 -0.04 1.87 2.01 3h4mB1 LYS 406 HB3 -0.01 -0.02 0.02 -0.04 1.79 1.74 3h4mB1 LYS 406 HG2 0.00 -0.06 0.01 -0.04 1.46 1.37 3h4mB1 LYS 406 HG3 -0.00 0.27 0.10 -0.04 1.46 1.78 3h4mB1 LYS 406 HD2 -0.02 0.01 -0.00 -0.04 1.69 1.64 3h4mB1 LYS 406 HD3 -0.01 -0.01 -0.01 -0.04 1.68 1.61 3h4mB1 LYS 406 HE2 -0.01 -0.01 -0.04 -0.04 2.99 2.89 3h4mB1 LYS 406 HE3 -0.01 -0.01 -0.12 -0.04 2.99 2.80 3h4mB1 ALA 407 H -0.01 0.52 -0.09 -0.55 8.40 8.28 3h4mB1 ALA 407 HA -0.01 0.01 0.45 -0.75 4.34 4.02 3h4mB1 ALA 407 HB3 -0.01 0.01 0.10 -0.04 1.41 1.47 3h4mB1 VAL 408 H 0.06 0.58 -0.15 -0.55 8.24 8.18 3h4mB1 VAL 408 HA 0.04 -0.02 0.37 -0.75 4.13 3.76 3h4mB1 VAL 408 HB 0.04 0.12 0.14 -0.04 2.12 2.38 3h4mB1 VAL 408 HG13 0.02 -0.00 -0.14 -0.04 0.97 0.81 3h4mB1 VAL 408 HG23 0.08 0.04 -0.03 -0.04 0.95 0.99 3h4mB1 GLU 409 H 0.02 0.57 0.02 -0.55 8.60 8.66 3h4mB1 GLU 409 HA 0.01 -0.03 0.43 -0.75 4.29 3.95 3h4mB1 GLU 409 HB2 0.01 0.05 0.21 -0.04 2.09 2.32 3h4mB1 GLU 409 HB3 0.00 0.36 0.20 -0.04 1.99 2.52 3h4mB1 GLU 409 HG2 0.00 -0.02 0.01 -0.04 2.34 2.29 3h4mB1 GLU 409 HG3 0.00 -0.04 -0.02 -0.04 2.34 2.25 3h4mB1 LYS 410 H 0.00 0.42 -0.47 -0.55 8.42 7.81 3h4mB1 LYS 410 HA -0.00 -0.02 0.18 -0.75 4.32 3.72 3h4mB1 LYS 410 HB2 -0.01 0.00 0.10 -0.04 1.87 1.92 3h4mB1 LYS 410 HB3 -0.01 0.10 0.26 -0.04 1.79 2.11 3h4mB1 LYS 410 HG2 -0.01 -0.01 -0.18 -0.04 1.46 1.22 3h4mB1 LYS 410 HG3 -0.01 -0.06 -0.04 -0.04 1.46 1.31 3h4mB1 LYS 410 HD2 -0.01 0.00 -0.01 -0.04 1.69 1.63 3h4mB1 LYS 410 HD3 -0.02 -0.01 -0.01 -0.04 1.68 1.60 3h4mB1 LYS 410 HE2 -0.01 -0.01 -0.05 -0.04 2.99 2.88 3h4mB1 LYS 410 HE3 -0.01 -0.01 -0.02 -0.04 2.99 2.91 3h4mB1 ILE 411 H 0.01 0.59 0.18 -0.55 8.25 8.47 3h4mB1 ILE 411 HA 0.00 -0.03 0.34 -0.75 4.18 3.74 3h4mB1 ILE 411 HB 0.01 0.11 0.14 -0.04 1.89 2.11 3h4mB1 ILE 411 HG12 0.00 0.02 0.02 -0.04 1.49 1.49 3h4mB1 ILE 411 HG13 -0.00 -0.03 0.04 -0.04 1.21 1.18 3h4mB1 ILE 411 HG23 0.01 -0.01 -0.14 -0.04 0.93 0.74 3h4mB1 ILE 411 HD13 -0.00 -0.02 -0.05 -0.04 0.88 0.77 3h4mB1 MET 412 H 0.01 0.67 -0.34 -0.55 8.47 8.26 3h4mB1 MET 412 HA 0.01 -0.01 0.40 -0.75 4.52 4.16 3h4mB1 MET 412 HB2 0.01 0.16 0.07 -0.04 2.15 2.35 3h4mB1 MET 412 HB3 0.01 -0.07 -0.02 -0.04 2.03 1.91 3h4mB1 MET 412 HG2 0.01 0.02 -0.01 -0.04 2.63 2.61 3h4mB1 MET 412 HG3 0.01 -0.04 -0.08 -0.04 2.56 2.41 3h4mB1 MET 412 HE3 0.01 -0.01 -0.15 -0.04 2.10 1.90 3h4mB1 GLU 413 H 0.00 0.64 0.09 -0.55 8.60 8.79 3h4mB1 GLU 413 HA 0.00 0.01 0.61 -0.75 4.29 4.16 3h4mB1 GLU 413 HB2 0.00 0.16 0.22 -0.04 2.09 2.43 3h4mB1 GLU 413 HB3 0.00 -0.02 0.07 -0.04 1.99 2.00 3h4mB1 GLU 413 HG2 0.00 -0.04 0.03 -0.04 2.34 2.28 3h4mB1 GLU 413 HG3 0.00 -0.01 0.02 -0.04 2.34 2.31 3h4mB1 LYS 414 H 0.00 0.72 0.01 -0.55 8.42 8.59 3h4mB1 LYS 414 HA 0.00 -0.06 0.25 -0.75 4.32 3.75 3h4mB1 LYS 414 HB2 -0.00 0.05 0.03 -0.04 1.87 1.91 3h4mB1 LYS 414 HB3 0.00 0.16 0.08 -0.04 1.79 1.99 3h4mB1 LYS 414 HG2 -0.00 -0.03 -0.05 -0.04 1.46 1.34 3h4mB1 LYS 414 HG3 -0.00 -0.03 0.04 -0.04 1.46 1.43 3h4mB1 LYS 414 HD2 -0.00 0.01 -0.06 -0.04 1.69 1.59 3h4mB1 LYS 414 HD3 -0.00 -0.04 -0.03 -0.04 1.68 1.56 3h4mB1 LYS 414 HE2 -0.00 -0.03 -0.02 -0.04 2.99 2.90 3h4mB1 LYS 414 HE3 -0.00 0.01 -0.01 -0.04 2.99 2.94 3h4mB1 LYS 415 H 0.00 0.27 -0.74 -0.55 8.42 7.40 3h4mB1 LYS 415 HA 0.00 -0.05 0.34 -0.75 4.32 3.86 3h4mB1 LYS 415 HB2 0.01 0.11 0.12 -0.04 1.87 2.07 3h4mB1 LYS 415 HB3 0.01 0.13 0.14 -0.04 1.79 2.02 3h4mB1 LYS 415 HG2 0.01 -0.03 -0.07 -0.04 1.46 1.33 3h4mB1 LYS 415 HG3 0.01 -0.08 0.07 -0.04 1.46 1.42 3h4mB1 LYS 415 HD2 0.01 -0.09 -0.02 -0.04 1.69 1.54 3h4mB1 LYS 415 HD3 0.01 0.04 -0.05 -0.04 1.68 1.63 3h4mB1 LYS 415 HE2 0.01 0.01 -0.03 -0.04 2.99 2.93 3h4mB1 LYS 415 HE3 0.01 -0.07 0.03 -0.04 2.99 2.91 3h4mB1 LYS 416 H 0.00 0.48 -0.00 -0.55 8.42 8.35 3h4mB1 LYS 416 HA 0.00 0.02 0.50 -0.75 4.32 4.09 3h4mB1 LYS 416 HB2 0.00 0.03 0.27 -0.04 1.87 2.13 3h4mB1 LYS 416 HB3 0.00 -0.08 0.12 -0.04 1.79 1.79 3h4mB1 LYS 416 HG2 0.00 -0.05 0.03 -0.04 1.46 1.41 3h4mB1 LYS 416 HG3 0.00 0.27 0.14 -0.04 1.46 1.84 3h4mB1 LYS 416 HD2 0.00 -0.04 0.05 -0.04 1.69 1.66 3h4mB1 LYS 416 HD3 0.00 -0.05 0.02 -0.04 1.68 1.61 3h4mB1 LYS 416 HE2 0.00 -0.01 -0.03 -0.04 2.99 2.92 3h4mB1 LYS 416 HE3 0.00 0.04 -0.02 -0.04 2.99 2.98 3h4mB1 VAL 417 H 0.00 0.54 0.03 -0.55 8.24 8.27 3h4mB1 VAL 417 HA 0.00 0.03 0.43 -0.75 4.13 3.84 3h4mB1 VAL 417 HB 0.00 -0.04 0.23 -0.04 2.12 2.27 3h4mB1 VAL 417 HG13 0.00 -0.03 -0.03 -0.04 0.97 0.87 3h4mB1 VAL 417 HG23 0.00 0.06 0.09 -0.04 0.95 1.06 3h4mB1 LYS 418 H 0.00 0.27 0.21 -0.55 8.42 8.35 3h4mB1 LYS 418 HA 0.00 0.09 0.15 -0.75 4.32 3.82