============================================================================= 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. TRP 3 1.040 50.482 0.990 -19.960 -99.200 -91.000 TRP6 3 1.020 48.409 1.539 -20.947 -99.200 -91.000 TYR 10 0.840 59.456 -8.655 -12.412 -99.200 -91.000 PHE 16 1.000 59.713 -2.128 -3.310 -99.200 -91.000 HIS 37 0.900 50.202 24.995 -2.836 -99.200 -91.000 TYR 47 0.840 60.553 -3.881 -9.481 -99.200 -91.000 PHE 56 1.000 46.599 4.453 -4.883 -99.200 -91.000 PHE 70 1.000 43.654 9.734 -11.469 -99.200 -91.000 HIS 71 0.900 51.229 6.043 -16.972 -99.200 -91.000 PHE 83 1.000 47.042 1.151 -11.253 -99.200 -91.000 PHE 90 1.000 52.795 3.396 -12.962 -99.200 -91.000 TYR 95 0.840 48.118 13.894 -4.045 -99.200 -91.000 PHE 105 1.000 58.430 20.571 12.306 -99.200 -91.000 PHE 129 1.000 55.647 15.562 13.493 -99.200 -91.000 TYR 162 0.840 74.839 36.916 10.657 -99.200 -91.000 TRP 171 1.040 67.968 25.531 15.630 -99.200 -91.000 TRP6 171 1.020 65.838 25.988 16.471 -99.200 -91.000 TRP 199 1.040 64.801 43.842 8.521 -99.200 -91.000 TRP6 199 1.020 64.489 42.169 10.166 -99.200 -91.000 PHE 208 1.000 58.062 20.590 7.208 -99.200 -91.000 PHE 212 1.000 52.910 13.839 9.024 -99.200 -91.000 TYR 221 0.840 41.347 -0.747 -2.191 -99.200 -91.000 PHE 225 1.000 41.517 -8.150 -7.831 -99.200 -91.000 TYR 231 0.840 50.837 -12.601 -9.804 -99.200 -91.000 HIS 234 0.900 47.111 -15.327 -0.659 -99.200 -91.000 TRP 239 1.040 57.951 -3.822 0.272 -99.200 -91.000 TRP6 239 1.020 58.651 -4.186 2.480 -99.200 -91.000 TYR 242 0.840 51.888 7.292 3.441 -99.200 -91.000 TYR 249 0.840 55.531 24.764 7.206 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bp5M1 ILE 159 HA -0.97 -0.10 0.24 -0.75 4.18 2.60 2bp5M1 ILE 159 HB -0.43 0.07 0.15 -0.04 1.89 1.63 2bp5M1 ILE 159 HG12 -0.89 0.01 0.05 -0.04 1.49 0.62 2bp5M1 ILE 159 HG13 -0.40 -0.03 0.06 -0.04 1.21 0.80 2bp5M1 ILE 159 HG23 -1.48 -0.06 -0.03 -0.04 0.93 -0.68 2bp5M1 ILE 159 HD13 -0.18 0.01 0.03 -0.04 0.88 0.70 2bp5M1 GLY 160 H -0.23 0.12 0.11 -0.55 8.43 7.88 2bp5M1 GLY 160 HA2 -0.10 0.16 0.61 -0.51 4.01 4.17 2bp5M1 GLY 160 HA3 -0.01 -0.00 0.32 -0.51 4.01 3.81 2bp5M1 TRP 161 H -0.37 0.05 -0.18 -0.55 7.97 6.93 2bp5M1 TRP 161 HA 0.02 0.16 0.72 -0.75 4.62 4.77 2bp5M1 TRP 161 HB2 0.06 0.01 0.13 -0.04 3.23 3.38 2bp5M1 TRP 161 HB3 0.05 -0.06 0.05 -0.04 3.23 3.23 2bp5M1 TRP 161 HD1 -0.07 -0.05 -0.34 -0.04 7.22 6.72 2bp5M1 TRP 161 HE1 -0.00 0.63 -0.01 -0.04 10.20 10.77 2bp5M1 TRP 161 HE3 0.02 -0.07 0.01 -0.04 7.59 7.51 2bp5M1 TRP 161 HZ2 0.06 0.05 0.10 -0.04 7.44 7.61 2bp5M1 TRP 161 HZ3 0.02 0.01 -0.02 -0.04 7.13 7.09 2bp5M1 TRP 161 HH2 0.04 0.04 -0.00 -0.04 7.19 7.23 2bp5M1 ARG 162 H -0.39 0.25 -0.32 -0.55 8.46 7.45 2bp5M1 ARG 162 HA 0.01 0.01 0.75 -0.75 4.34 4.35 2bp5M1 ARG 162 HB2 0.09 0.01 -0.19 -0.04 1.90 1.77 2bp5M1 ARG 162 HB3 -0.25 -0.01 -0.00 -0.04 1.80 1.49 2bp5M1 ARG 162 HG2 -0.03 0.34 -0.28 -0.04 1.67 1.66 2bp5M1 ARG 162 HG3 0.04 -0.17 0.03 -0.04 1.67 1.54 2bp5M1 ARG 162 HD2 0.09 0.20 -0.13 -0.04 3.22 3.34 2bp5M1 ARG 162 HD3 -0.01 -0.06 -0.03 -0.04 3.22 3.07 2bp5M1 ARG 163 H -0.01 0.04 0.07 -0.55 8.46 8.00 2bp5M1 ARG 163 HA -0.06 0.17 0.38 -0.75 4.34 4.07 2bp5M1 ARG 163 HB2 -0.02 -0.01 0.16 -0.04 1.90 1.99 2bp5M1 ARG 163 HB3 -0.01 0.03 0.11 -0.04 1.80 1.90 2bp5M1 ARG 163 HG2 -0.01 0.06 -0.26 -0.04 1.67 1.43 2bp5M1 ARG 163 HG3 -0.01 -0.18 0.04 -0.04 1.67 1.48 2bp5M1 ARG 163 HD2 0.00 0.02 0.02 -0.04 3.22 3.22 2bp5M1 ARG 163 HD3 0.01 0.04 0.01 -0.04 3.22 3.24 2bp5M1 GLU 164 H -0.03 0.01 0.18 -0.55 8.60 8.21 2bp5M1 GLU 164 HA -0.02 0.40 0.96 -0.75 4.29 4.87 2bp5M1 GLU 164 HB2 -0.04 0.01 0.01 -0.04 2.09 2.03 2bp5M1 GLU 164 HB3 -0.02 -0.03 0.04 -0.04 1.99 1.93 2bp5M1 GLU 164 HG2 -0.02 -0.05 0.05 -0.04 2.34 2.28 2bp5M1 GLU 164 HG3 -0.03 0.11 0.04 -0.04 2.34 2.42 2bp5M1 GLY 165 H -0.02 0.01 0.06 -0.55 8.43 7.93 2bp5M1 GLY 165 HA2 -0.01 0.18 0.53 -0.51 4.01 4.20 2bp5M1 GLY 165 HA3 -0.02 -0.02 0.36 -0.51 4.01 3.82 2bp5M1 ILE 166 H -0.00 0.38 -0.26 -0.55 8.25 7.82 2bp5M1 ILE 166 HA -0.10 0.06 0.22 -0.75 4.18 3.61 2bp5M1 ILE 166 HB 0.04 0.20 0.12 -0.04 1.89 2.20 2bp5M1 ILE 166 HG12 -0.01 -0.02 -0.10 -0.04 1.49 1.32 2bp5M1 ILE 166 HG13 -0.00 -0.19 -0.25 -0.04 1.21 0.72 2bp5M1 ILE 166 HG23 -0.00 -0.01 -0.17 -0.04 0.93 0.71 2bp5M1 ILE 166 HD13 0.05 0.04 -0.05 -0.04 0.88 0.88 2bp5M1 LYS 167 H -0.25 0.25 0.22 -0.55 8.42 8.08 2bp5M1 LYS 167 HA -0.05 0.05 0.80 -0.75 4.32 4.37 2bp5M1 LYS 167 HB2 -0.07 0.05 -0.03 -0.04 1.87 1.78 2bp5M1 LYS 167 HB3 -0.05 -0.01 -0.10 -0.04 1.79 1.59 2bp5M1 LYS 167 HG2 0.01 -0.03 -0.02 -0.04 1.46 1.38 2bp5M1 LYS 167 HG3 0.00 0.20 -0.30 -0.04 1.46 1.32 2bp5M1 LYS 167 HD2 -0.01 0.04 -0.18 -0.04 1.69 1.50 2bp5M1 LYS 167 HD3 -0.01 -0.02 -0.09 -0.04 1.68 1.52 2bp5M1 LYS 167 HE2 0.04 -0.01 -0.08 -0.04 2.99 2.90 2bp5M1 LYS 167 HE3 0.01 0.01 -0.09 -0.04 2.99 2.89 2bp5M1 TYR 168 H 0.03 0.27 0.05 -0.55 8.29 8.09 2bp5M1 TYR 168 HA 0.00 0.12 0.75 -0.75 4.56 4.68 2bp5M1 TYR 168 HB2 -0.02 -0.01 -0.26 -0.04 3.06 2.73 2bp5M1 TYR 168 HB3 0.01 0.07 -0.13 -0.04 2.98 2.89 2bp5M1 TYR 168 HD2 0.04 -0.04 -0.39 -0.04 7.15 6.73 2bp5M1 TYR 168 HE2 0.11 0.05 -0.06 -0.04 6.85 6.91 2bp5M1 ARG 169 H 0.09 0.16 0.09 -0.55 8.46 8.24 2bp5M1 ARG 169 HA 0.01 0.07 0.45 -0.75 4.34 4.12 2bp5M1 ARG 169 HB2 0.03 -0.01 0.12 -0.04 1.90 1.99 2bp5M1 ARG 169 HB3 0.04 -0.01 0.09 -0.04 1.80 1.88 2bp5M1 ARG 169 HG2 0.01 -0.01 0.01 -0.04 1.67 1.65 2bp5M1 ARG 169 HG3 0.01 0.02 -0.07 -0.04 1.67 1.59 2bp5M1 ARG 169 HD2 0.00 0.03 0.12 -0.04 3.22 3.34 2bp5M1 ARG 169 HD3 0.01 -0.02 0.04 -0.04 3.22 3.21 2bp5M1 ARG 170 H 0.08 0.07 -0.18 -0.55 8.46 7.88 2bp5M1 ARG 170 HA -0.01 0.17 0.65 -0.75 4.34 4.40 2bp5M1 ARG 170 HB2 0.03 -0.09 0.06 -0.04 1.90 1.86 2bp5M1 ARG 170 HB3 0.02 0.01 0.12 -0.04 1.80 1.90 2bp5M1 ARG 170 HG2 0.03 0.07 -0.06 -0.04 1.67 1.67 2bp5M1 ARG 170 HG3 0.02 0.02 -0.02 -0.04 1.67 1.64 2bp5M1 ARG 170 HD2 0.04 -0.01 -0.02 -0.04 3.22 3.18 2bp5M1 ARG 170 HD3 0.03 -0.03 -0.02 -0.04 3.22 3.16 2bp5M1 ASN 171 H -0.08 0.24 0.08 -0.55 8.53 8.23 2bp5M1 ASN 171 HA -0.07 0.40 1.01 -0.75 4.76 5.34 2bp5M1 ASN 171 HB2 -0.21 0.03 0.12 -0.04 2.88 2.78 2bp5M1 ASN 171 HB3 -0.18 -0.04 0.07 -0.04 2.79 2.60 2bp5M1 ASN 171 HD21 -0.48 0.03 -0.01 -0.04 7.03 6.52 2bp5M1 ASN 171 HD22 -0.40 0.03 0.01 -0.04 7.74 7.33 2bp5M1 GLU 172 H -0.01 0.67 0.32 -0.55 8.60 9.03 2bp5M1 GLU 172 HA -0.04 0.23 1.00 -0.75 4.29 4.73 2bp5M1 GLU 172 HB2 0.05 -0.06 -0.33 -0.04 2.09 1.71 2bp5M1 GLU 172 HB3 0.16 -0.05 -0.00 -0.04 1.99 2.06 2bp5M1 GLU 172 HG2 -0.21 0.02 -0.16 -0.04 2.34 1.95 2bp5M1 GLU 172 HG3 0.08 0.07 0.02 -0.04 2.34 2.47 2bp5M1 LEU 173 H -0.12 0.71 0.38 -0.55 8.37 8.80 2bp5M1 LEU 173 HA 0.05 0.21 0.90 -0.75 4.35 4.75 2bp5M1 LEU 173 HB2 0.03 0.04 0.03 -0.04 1.64 1.69 2bp5M1 LEU 173 HB3 0.01 -0.05 -0.07 -0.04 1.64 1.49 2bp5M1 LEU 173 HG -0.06 0.05 0.00 -0.04 1.64 1.60 2bp5M1 LEU 173 HD13 -0.00 -0.02 -0.29 -0.04 0.93 0.57 2bp5M1 LEU 173 HD23 0.02 0.00 -0.20 -0.04 0.89 0.67 2bp5M1 PHE 174 H 0.20 1.02 0.42 -0.55 8.34 9.43 2bp5M1 PHE 174 HA 0.19 0.18 1.01 -0.75 4.62 5.25 2bp5M1 PHE 174 HB2 0.03 -0.05 0.13 -0.04 3.15 3.22 2bp5M1 PHE 174 HB3 0.02 0.00 -0.05 -0.04 3.06 3.00 2bp5M1 PHE 174 HD2 0.07 0.03 -0.13 -0.04 7.28 7.22 2bp5M1 PHE 174 HE2 -0.45 -0.00 -0.14 -0.04 7.38 6.74 2bp5M1 PHE 174 HZ -0.20 -0.01 -0.11 -0.04 7.32 6.96 2bp5M1 LEU 175 H 0.13 0.73 0.36 -0.55 8.37 9.04 2bp5M1 LEU 175 HA -0.05 0.31 1.22 -0.75 4.35 5.08 2bp5M1 LEU 175 HB2 -0.01 0.03 0.22 -0.04 1.64 1.85 2bp5M1 LEU 175 HB3 -0.09 -0.03 -0.07 -0.04 1.64 1.41 2bp5M1 LEU 175 HG -0.01 -0.04 -0.25 -0.04 1.64 1.30 2bp5M1 LEU 175 HD13 0.04 -0.01 -0.13 -0.04 0.93 0.79 2bp5M1 LEU 175 HD23 -0.22 0.02 -0.04 -0.04 0.89 0.60 2bp5M1 ASP 176 H -0.09 0.71 0.32 -0.55 8.40 8.79 2bp5M1 ASP 176 HA -0.09 0.31 1.07 -0.75 4.63 5.17 2bp5M1 ASP 176 HB2 -0.08 -0.08 0.14 -0.04 2.71 2.65 2bp5M1 ASP 176 HB3 -0.06 0.03 -0.07 -0.04 2.70 2.55 2bp5M1 VAL 177 H -0.16 0.66 0.36 -0.55 8.24 8.55 2bp5M1 VAL 177 HA 0.01 0.22 1.04 -0.75 4.13 4.64 2bp5M1 VAL 177 HB -0.05 -0.05 0.19 -0.04 2.12 2.17 2bp5M1 VAL 177 HG13 0.27 -0.01 -0.19 -0.04 0.97 1.01 2bp5M1 VAL 177 HG23 -0.05 -0.00 -0.17 -0.04 0.95 0.70 2bp5M1 LEU 178 H -0.00 0.77 0.33 -0.55 8.37 8.92 2bp5M1 LEU 178 HA -0.02 0.30 1.00 -0.75 4.35 4.88 2bp5M1 LEU 178 HB2 -0.07 -0.06 0.22 -0.04 1.64 1.69 2bp5M1 LEU 178 HB3 -0.06 0.05 0.03 -0.04 1.64 1.62 2bp5M1 LEU 178 HG -0.05 -0.09 -0.36 -0.04 1.64 1.09 2bp5M1 LEU 178 HD13 -0.07 -0.01 -0.07 -0.04 0.93 0.74 2bp5M1 LEU 178 HD23 -0.05 0.02 -0.11 -0.04 0.89 0.71 2bp5M1 GLU 179 H -0.02 0.61 0.40 -0.55 8.60 9.05 2bp5M1 GLU 179 HA -0.10 0.30 1.24 -0.75 4.29 4.98 2bp5M1 GLU 179 HB2 0.02 -0.01 0.13 -0.04 2.09 2.19 2bp5M1 GLU 179 HB3 0.01 0.03 -0.06 -0.04 1.99 1.92 2bp5M1 GLU 179 HG2 -0.01 0.06 -0.19 -0.04 2.34 2.15 2bp5M1 GLU 179 HG3 0.13 -0.04 -0.32 -0.04 2.34 2.07 2bp5M1 SER 180 H -0.08 0.77 0.46 -0.55 8.46 9.06 2bp5M1 SER 180 HA -0.09 0.42 1.06 -0.75 4.49 5.13 2bp5M1 SER 180 HB2 -0.09 0.08 0.02 -0.04 3.95 3.92 2bp5M1 SER 180 HB3 -0.07 -0.00 0.14 -0.04 3.93 3.96 2bp5M1 VAL 181 H -0.06 0.62 0.33 -0.55 8.24 8.58 2bp5M1 VAL 181 HA -0.01 0.21 1.21 -0.75 4.13 4.78 2bp5M1 VAL 181 HB 0.09 -0.07 -0.04 -0.04 2.12 2.06 2bp5M1 VAL 181 HG13 0.24 0.02 -0.03 -0.04 0.97 1.16 2bp5M1 VAL 181 HG23 0.17 0.03 -0.23 -0.04 0.95 0.89 2bp5M1 ASN 182 H -0.17 0.86 0.48 -0.55 8.53 9.16 2bp5M1 ASN 182 HA -0.01 0.21 0.92 -0.75 4.76 5.13 2bp5M1 ASN 182 HB2 -0.82 -0.05 0.22 -0.04 2.88 2.18 2bp5M1 ASN 182 HB3 -0.24 0.06 0.09 -0.04 2.79 2.65 2bp5M1 ASN 182 HD21 -0.12 -0.01 -0.08 -0.04 7.03 6.78 2bp5M1 ASN 182 HD22 -0.52 0.19 0.02 -0.04 7.74 7.39 2bp5M1 LEU 183 H -0.06 0.73 0.57 -0.55 8.37 9.06 2bp5M1 LEU 183 HA -0.10 0.27 1.15 -0.75 4.35 4.92 2bp5M1 LEU 183 HB2 -0.29 0.01 -0.18 -0.04 1.64 1.15 2bp5M1 LEU 183 HB3 -0.76 -0.09 0.12 -0.04 1.64 0.87 2bp5M1 LEU 183 HG -0.27 0.02 -0.36 -0.04 1.64 0.98 2bp5M1 LEU 183 HD13 -0.10 0.02 0.02 -0.04 0.93 0.83 2bp5M1 LEU 183 HD23 -0.52 -0.01 -0.09 -0.04 0.89 0.23 2bp5M1 LEU 184 H -0.07 0.61 0.37 -0.55 8.37 8.73 2bp5M1 LEU 184 HA -0.06 0.24 0.95 -0.75 4.35 4.73 2bp5M1 LEU 184 HB2 -0.02 0.01 0.00 -0.04 1.64 1.59 2bp5M1 LEU 184 HB3 -0.02 -0.07 0.18 -0.04 1.64 1.69 2bp5M1 LEU 184 HG -0.03 -0.05 -0.28 -0.04 1.64 1.24 2bp5M1 LEU 184 HD13 -0.03 0.03 -0.00 -0.04 0.93 0.89 2bp5M1 LEU 184 HD23 -0.01 -0.01 -0.07 -0.04 0.89 0.76 2bp5M1 MET 185 H -0.06 0.77 0.42 -0.55 8.47 9.05 2bp5M1 MET 185 HA -0.04 0.06 1.13 -0.75 4.52 4.92 2bp5M1 MET 185 HB2 -0.08 -0.06 -0.01 -0.04 2.15 1.96 2bp5M1 MET 185 HB3 -0.04 -0.01 0.26 -0.04 2.03 2.19 2bp5M1 MET 185 HG2 -0.01 0.00 0.01 -0.04 2.63 2.59 2bp5M1 MET 185 HG3 -0.01 0.23 -0.10 -0.04 2.56 2.63 2bp5M1 MET 185 HE3 -0.00 -0.02 -0.01 -0.04 2.10 2.03 2bp5M1 SER 186 H -0.02 0.72 0.31 -0.55 8.46 8.93 2bp5M1 SER 186 HA -0.02 0.07 0.57 -0.75 4.49 4.36 2bp5M1 SER 186 HB2 -0.01 0.01 0.12 -0.04 3.95 4.03 2bp5M1 SER 186 HB3 -0.01 0.06 0.12 -0.04 3.93 4.06 2bp5M1 PRO 187 HA -0.00 0.39 0.44 -0.51 4.44 4.76 2bp5M1 PRO 187 HB2 -0.01 -0.04 0.08 -0.04 2.28 2.27 2bp5M1 PRO 187 HB3 -0.01 0.03 0.08 -0.04 2.02 2.08 2bp5M1 PRO 187 HG2 -0.02 0.04 0.06 -0.04 2.03 2.07 2bp5M1 PRO 187 HG3 -0.03 0.02 -0.12 -0.04 2.03 1.86 2bp5M1 PRO 187 HD2 -0.01 0.02 0.19 -0.04 3.68 3.83 2bp5M1 PRO 187 HD3 -0.02 0.10 0.22 -0.04 3.65 3.90 2bp5M1 GLN 188 H -0.00 0.06 -0.14 -0.55 8.47 7.84 2bp5M1 GLN 188 HA 0.01 0.20 0.56 -0.75 4.36 4.37 2bp5M1 GLN 188 HB2 -0.00 -0.05 0.11 -0.04 2.15 2.17 2bp5M1 GLN 188 HB3 0.00 0.01 0.21 -0.04 2.02 2.20 2bp5M1 GLN 188 HG2 0.00 0.03 0.03 -0.04 2.40 2.42 2bp5M1 GLN 188 HG3 0.00 0.00 -0.05 -0.04 2.39 2.30 2bp5M1 GLN 188 HE21 -0.00 -0.01 0.02 -0.04 6.97 6.94 2bp5M1 GLN 188 HE22 -0.00 0.03 0.01 -0.04 7.69 7.68 2bp5M1 GLY 189 H 0.01 0.50 -0.55 -0.55 8.43 7.84 2bp5M1 GLY 189 HA2 0.01 0.10 0.26 -0.51 4.01 3.87 2bp5M1 GLY 189 HA3 0.01 0.02 0.38 -0.51 4.01 3.90 2bp5M1 GLN 190 H -0.00 0.01 -0.39 -0.55 8.47 7.54 2bp5M1 GLN 190 HA -0.00 0.11 0.66 -0.75 4.36 4.37 2bp5M1 GLN 190 HB2 -0.01 -0.10 0.04 -0.04 2.15 2.04 2bp5M1 GLN 190 HB3 -0.00 0.09 -0.06 -0.04 2.02 2.00 2bp5M1 GLN 190 HG2 -0.00 -0.02 -0.00 -0.04 2.40 2.33 2bp5M1 GLN 190 HG3 -0.00 -0.00 0.01 -0.04 2.39 2.35 2bp5M1 GLN 190 HE21 0.00 -0.00 -0.06 -0.04 6.97 6.87 2bp5M1 GLN 190 HE22 0.00 0.13 -0.04 -0.04 7.69 7.74 2bp5M1 VAL 191 H -0.00 0.16 0.18 -0.55 8.24 8.02 2bp5M1 VAL 191 HA -0.02 0.10 0.72 -0.75 4.13 4.17 2bp5M1 VAL 191 HB -0.00 -0.03 0.21 -0.04 2.12 2.26 2bp5M1 VAL 191 HG13 -0.01 0.01 -0.19 -0.04 0.97 0.74 2bp5M1 VAL 191 HG23 -0.01 0.03 0.05 -0.04 0.95 0.97 2bp5M1 LEU 192 H -0.02 0.58 0.49 -0.55 8.37 8.87 2bp5M1 LEU 192 HA -0.01 0.06 0.58 -0.75 4.35 4.23 2bp5M1 LEU 192 HB2 -0.02 0.07 0.04 -0.04 1.64 1.70 2bp5M1 LEU 192 HB3 -0.01 -0.05 0.05 -0.04 1.64 1.58 2bp5M1 LEU 192 HG -0.02 -0.00 -0.04 -0.04 1.64 1.54 2bp5M1 LEU 192 HD13 -0.02 -0.01 -0.10 -0.04 0.93 0.75 2bp5M1 LEU 192 HD23 -0.01 -0.02 -0.13 -0.04 0.89 0.69 2bp5M1 SER 193 H -0.01 0.27 0.06 -0.55 8.46 8.23 2bp5M1 SER 193 HA 0.02 0.09 0.62 -0.75 4.49 4.46 2bp5M1 SER 193 HB2 0.01 0.14 -0.23 -0.04 3.95 3.83 2bp5M1 SER 193 HB3 0.01 -0.08 -0.04 -0.04 3.93 3.78 2bp5M1 ALA 194 H 0.06 0.29 0.17 -0.55 8.40 8.36 2bp5M1 ALA 194 HA -0.02 0.37 0.89 -0.75 4.34 4.83 2bp5M1 ALA 194 HB3 0.01 0.01 0.02 -0.04 1.41 1.41 2bp5M1 HIS 195 H -0.14 0.52 0.40 -0.55 8.41 8.65 2bp5M1 HIS 195 HA 0.03 0.19 0.50 -0.75 4.63 4.60 2bp5M1 HIS 195 HB2 0.01 0.06 0.28 -0.04 3.26 3.58 2bp5M1 HIS 195 HB3 0.01 0.06 0.09 -0.04 3.20 3.32 2bp5M1 HIS 195 HD2 0.00 -0.01 -0.12 -0.04 6.97 6.79 2bp5M1 HIS 195 HE1 -0.02 -0.01 -0.05 -0.04 7.75 7.62 2bp5M1 VAL 196 H 0.16 0.66 0.39 -0.55 8.24 8.90 2bp5M1 VAL 196 HA 0.01 0.30 1.14 -0.75 4.13 4.83 2bp5M1 VAL 196 HB 0.11 -0.05 0.07 -0.04 2.12 2.20 2bp5M1 VAL 196 HG13 0.04 -0.03 -0.26 -0.04 0.97 0.68 2bp5M1 VAL 196 HG23 0.07 -0.01 -0.27 -0.04 0.95 0.71 2bp5M1 SER 197 H 0.01 0.44 0.35 -0.55 8.46 8.72 2bp5M1 SER 197 HA -0.10 0.32 1.14 -0.75 4.49 5.09 2bp5M1 SER 197 HB2 -0.06 -0.04 0.14 -0.04 3.95 3.95 2bp5M1 SER 197 HB3 -0.07 0.03 0.17 -0.04 3.93 4.02 2bp5M1 GLY 198 H -0.59 0.71 0.41 -0.55 8.43 8.42 2bp5M1 GLY 198 HA2 -0.31 0.38 1.15 -0.51 4.01 4.72 2bp5M1 GLY 198 HA3 -0.96 -0.07 0.26 -0.51 4.01 2.73 2bp5M1 ARG 199 H -0.16 0.62 0.41 -0.55 8.46 8.78 2bp5M1 ARG 199 HA -0.05 0.25 0.79 -0.75 4.34 4.58 2bp5M1 ARG 199 HB2 -0.09 0.01 0.04 -0.04 1.90 1.82 2bp5M1 ARG 199 HB3 -0.10 0.01 0.20 -0.04 1.80 1.86 2bp5M1 ARG 199 HG2 -0.12 0.01 0.03 -0.04 1.67 1.55 2bp5M1 ARG 199 HG3 -0.09 -0.04 0.02 -0.04 1.67 1.52 2bp5M1 ARG 199 HD2 -0.09 -0.00 -0.07 -0.04 3.22 3.02 2bp5M1 ARG 199 HD3 -0.08 -0.00 -0.05 -0.04 3.22 3.04 2bp5M1 VAL 200 H -0.00 0.44 0.26 -0.55 8.24 8.39 2bp5M1 VAL 200 HA -0.06 0.36 1.08 -0.75 4.13 4.76 2bp5M1 VAL 200 HB -0.18 -0.16 0.18 -0.04 2.12 1.92 2bp5M1 VAL 200 HG13 -0.36 0.01 -0.20 -0.04 0.97 0.39 2bp5M1 VAL 200 HG23 0.12 -0.00 -0.11 -0.04 0.95 0.92 2bp5M1 VAL 201 H -0.14 0.64 0.32 -0.55 8.24 8.51 2bp5M1 VAL 201 HA -0.32 0.15 1.13 -0.75 4.13 4.34 2bp5M1 VAL 201 HB -0.12 -0.04 0.11 -0.04 2.12 2.02 2bp5M1 VAL 201 HG13 -0.15 0.02 -0.18 -0.04 0.97 0.62 2bp5M1 VAL 201 HG23 -0.12 -0.01 -0.13 -0.04 0.95 0.64 2bp5M1 MET 202 H -0.55 0.76 0.42 -0.55 8.47 8.56 2bp5M1 MET 202 HA -0.16 0.32 1.18 -0.75 4.52 5.11 2bp5M1 MET 202 HB2 -0.45 -0.08 -0.09 -0.04 2.15 1.49 2bp5M1 MET 202 HB3 -0.72 0.01 0.06 -0.04 2.03 1.35 2bp5M1 MET 202 HG2 0.04 0.01 -0.31 -0.04 2.63 2.33 2bp5M1 MET 202 HG3 -0.04 0.00 -0.07 -0.04 2.56 2.41 2bp5M1 MET 202 HE3 0.16 -0.01 -0.18 -0.04 2.10 2.03 2bp5M1 LYS 203 H 0.03 0.88 0.34 -0.55 8.42 9.12 2bp5M1 LYS 203 HA -0.06 0.26 0.66 -0.75 4.32 4.43 2bp5M1 LYS 203 HB2 0.19 -0.05 0.16 -0.04 1.87 2.14 2bp5M1 LYS 203 HB3 0.10 -0.00 -0.05 -0.04 1.79 1.79 2bp5M1 LYS 203 HG2 -0.01 -0.01 -0.09 -0.04 1.46 1.31 2bp5M1 LYS 203 HG3 -0.03 -0.02 -0.32 -0.04 1.46 1.05 2bp5M1 LYS 203 HD2 -0.09 -0.02 -0.10 -0.04 1.69 1.43 2bp5M1 LYS 203 HD3 -0.09 0.00 -0.09 -0.04 1.68 1.47 2bp5M1 LYS 203 HE2 -0.07 0.00 -0.10 -0.04 2.99 2.78 2bp5M1 LYS 203 HE3 -0.06 -0.01 -0.18 -0.04 2.99 2.70 2bp5M1 SER 204 H -0.20 0.71 0.20 -0.55 8.46 8.62 2bp5M1 SER 204 HA -0.11 0.15 1.16 -0.75 4.49 4.93 2bp5M1 SER 204 HB2 0.02 -0.03 -0.07 -0.04 3.95 3.83 2bp5M1 SER 204 HB3 0.08 -0.03 -0.15 -0.04 3.93 3.79 2bp5M1 TYR 205 H -0.09 0.85 0.22 -0.55 8.29 8.72 2bp5M1 TYR 205 HA -0.49 0.06 0.72 -0.75 4.56 4.10 2bp5M1 TYR 205 HB2 -0.39 0.03 0.30 -0.04 3.06 2.96 2bp5M1 TYR 205 HB3 -1.50 -0.03 0.13 -0.04 2.98 1.55 2bp5M1 TYR 205 HD2 -0.01 0.06 -0.05 -0.04 7.15 7.10 2bp5M1 TYR 205 HE2 0.11 -0.01 -0.11 -0.04 6.85 6.79 2bp5M1 LEU 206 H 0.11 0.29 -0.08 -0.55 8.37 8.15 2bp5M1 LEU 206 HA 0.04 0.08 0.80 -0.75 4.35 4.52 2bp5M1 LEU 206 HB2 0.12 0.08 -0.14 -0.04 1.64 1.66 2bp5M1 LEU 206 HB3 0.18 0.06 -0.16 -0.04 1.64 1.68 2bp5M1 LEU 206 HG 0.03 -0.10 -0.33 -0.04 1.64 1.21 2bp5M1 LEU 206 HD13 0.08 0.02 -0.21 -0.04 0.93 0.78 2bp5M1 LEU 206 HD23 0.04 0.03 -0.30 -0.04 0.89 0.62 2bp5M1 SER 207 H -0.03 0.11 0.06 -0.55 8.46 8.06 2bp5M1 SER 207 HA 0.15 0.12 0.36 -0.75 4.49 4.37 2bp5M1 SER 207 HB2 -0.30 -0.01 0.12 -0.04 3.95 3.72 2bp5M1 SER 207 HB3 0.12 0.03 0.06 -0.04 3.93 4.10 2bp5M1 GLY 208 H 0.10 0.57 0.29 -0.55 8.43 8.85 2bp5M1 GLY 208 HA2 0.07 0.05 0.30 -0.51 4.01 3.92 2bp5M1 GLY 208 HA3 0.13 -0.04 0.35 -0.51 4.01 3.94 2bp5M1 MET 209 H 0.06 0.05 0.04 -0.55 8.47 8.08 2bp5M1 MET 209 HA 0.05 0.22 0.49 -0.75 4.52 4.53 2bp5M1 MET 209 HB2 0.01 -0.11 0.24 -0.04 2.15 2.26 2bp5M1 MET 209 HB3 0.01 0.05 0.12 -0.04 2.03 2.17 2bp5M1 MET 209 HG2 0.01 -0.09 -0.25 -0.04 2.63 2.25 2bp5M1 MET 209 HG3 -0.02 -0.07 0.03 -0.04 2.56 2.46 2bp5M1 MET 209 HE3 -0.12 0.02 0.03 -0.04 2.10 1.98 2bp5M1 PRO 210 HA 0.03 0.10 0.63 -0.51 4.44 4.69 2bp5M1 PRO 210 HB2 0.04 -0.03 -0.19 -0.04 2.28 2.06 2bp5M1 PRO 210 HB3 0.12 0.01 -0.09 -0.04 2.02 2.02 2bp5M1 PRO 210 HG2 0.08 0.05 -0.07 -0.04 2.03 2.04 2bp5M1 PRO 210 HG3 0.15 -0.05 -0.23 -0.04 2.03 1.86 2bp5M1 PRO 210 HD2 0.09 0.18 -0.07 -0.04 3.68 3.84 2bp5M1 PRO 210 HD3 0.13 0.14 -0.49 -0.04 3.65 3.38 2bp5M1 GLU 211 H 0.05 0.87 0.44 -0.55 8.60 9.40 2bp5M1 GLU 211 HA -0.00 0.28 0.91 -0.75 4.29 4.73 2bp5M1 GLU 211 HB2 0.13 -0.02 0.28 -0.04 2.09 2.43 2bp5M1 GLU 211 HB3 0.09 -0.02 0.03 -0.04 1.99 2.05 2bp5M1 GLU 211 HG2 0.06 -0.01 -0.04 -0.04 2.34 2.31 2bp5M1 GLU 211 HG3 0.05 0.07 -0.12 -0.04 2.34 2.30 2bp5M1 CYS 212 H -0.33 0.68 0.34 -0.55 8.50 8.64 2bp5M1 CYS 212 HA -0.15 0.38 1.19 -0.75 4.58 5.24 2bp5M1 CYS 212 HB2 -0.66 -0.10 -0.19 -0.04 2.97 1.98 2bp5M1 CYS 212 HB3 -0.16 0.02 -0.08 -0.04 2.97 2.71 2bp5M1 LYS 213 H 0.01 0.36 0.28 -0.55 8.42 8.52 2bp5M1 LYS 213 HA 0.17 0.39 1.05 -0.75 4.32 5.17 2bp5M1 LYS 213 HB2 0.25 -0.13 0.18 -0.04 1.87 2.13 2bp5M1 LYS 213 HB3 0.31 0.05 -0.05 -0.04 1.79 2.06 2bp5M1 LYS 213 HG2 0.17 0.08 -0.12 -0.04 1.46 1.55 2bp5M1 LYS 213 HG3 0.35 -0.02 -0.10 -0.04 1.46 1.65 2bp5M1 LYS 213 HD2 0.17 -0.06 -0.06 -0.04 1.69 1.71 2bp5M1 LYS 213 HD3 0.14 0.07 -0.11 -0.04 1.68 1.75 2bp5M1 LYS 213 HE2 0.06 -0.05 -0.05 -0.04 2.99 2.91 2bp5M1 LYS 213 HE3 0.04 0.02 -0.06 -0.04 2.99 2.95 2bp5M1 PHE 214 H 0.52 0.33 0.05 -0.55 8.34 8.69 2bp5M1 PHE 214 HA 0.08 0.13 0.91 -0.75 4.62 4.99 2bp5M1 PHE 214 HB2 0.44 -0.01 -0.02 -0.04 3.15 3.52 2bp5M1 PHE 214 HB3 0.26 -0.01 0.08 -0.04 3.06 3.35 2bp5M1 PHE 214 HD2 0.05 0.03 -0.04 -0.04 7.28 7.28 2bp5M1 PHE 214 HE2 -0.03 -0.03 -0.14 -0.04 7.38 7.14 2bp5M1 PHE 214 HZ -0.04 -0.04 -0.18 -0.04 7.32 7.02 2bp5M1 GLY 215 H -0.68 0.66 0.34 -0.55 8.43 8.20 2bp5M1 GLY 215 HA2 -0.52 0.13 0.89 -0.51 4.01 4.00 2bp5M1 GLY 215 HA3 -1.41 0.04 0.32 -0.51 4.01 2.44 2bp5M1 MET 216 H -0.40 0.26 0.19 -0.55 8.47 7.97 2bp5M1 MET 216 HA -0.28 0.04 0.94 -0.75 4.52 4.47 2bp5M1 MET 216 HB2 -0.17 0.15 0.13 -0.04 2.15 2.21 2bp5M1 MET 216 HB3 -0.56 -0.02 -0.17 -0.04 2.03 1.24 2bp5M1 MET 216 HG2 -0.24 -0.03 -0.09 -0.04 2.63 2.22 2bp5M1 MET 216 HG3 -0.15 -0.04 -0.33 -0.04 2.56 1.99 2bp5M1 MET 216 HE3 -0.05 0.02 -0.09 -0.04 2.10 1.94 2bp5M1 ASN 217 H -0.09 0.28 0.14 -0.55 8.53 8.32 2bp5M1 ASN 217 HA -0.06 0.21 0.61 -0.75 4.76 4.77 2bp5M1 ASN 217 HB2 -0.03 0.05 0.17 -0.04 2.88 3.03 2bp5M1 ASN 217 HB3 -0.03 0.03 0.03 -0.04 2.79 2.78 2bp5M1 ASN 217 HD21 -0.02 0.22 0.07 -0.04 7.03 7.26 2bp5M1 ASN 217 HD22 -0.02 0.02 0.02 -0.04 7.74 7.72 2bp5M1 ASP 218 H -0.09 0.24 -0.55 -0.55 8.40 7.45 2bp5M1 ASP 218 HA -0.04 0.22 0.59 -0.75 4.63 4.64 2bp5M1 ASP 218 HB2 -0.07 -0.08 -0.04 -0.04 2.71 2.47 2bp5M1 ASP 218 HB3 -0.06 -0.02 0.08 -0.04 2.70 2.66 2bp5M1 LYS 219 H -0.02 0.27 -0.84 -0.55 8.42 7.28 2bp5M1 LYS 219 HA -0.01 0.17 0.66 -0.75 4.32 4.40 2bp5M1 LYS 219 HB2 -0.01 -0.01 0.05 -0.04 1.87 1.86 2bp5M1 LYS 219 HB3 -0.00 0.03 0.12 -0.04 1.79 1.90 2bp5M1 LYS 219 HG2 -0.00 0.03 0.01 -0.04 1.46 1.46 2bp5M1 LYS 219 HG3 -0.00 -0.03 -0.11 -0.04 1.46 1.28 2bp5M1 LYS 219 HD2 0.00 -0.00 0.02 -0.04 1.69 1.67 2bp5M1 LYS 219 HD3 0.00 -0.02 -0.00 -0.04 1.68 1.62 2bp5M1 LYS 219 HE2 -0.00 0.05 0.04 -0.04 2.99 3.03 2bp5M1 LYS 219 HE3 -0.00 -0.02 0.01 -0.04 2.99 2.94 2bp5M1 SER 240 HA -0.02 0.02 0.33 -0.75 4.49 4.06 2bp5M1 SER 240 HB2 -0.01 0.00 0.16 -0.04 3.95 4.06 2bp5M1 SER 240 HB3 -0.01 -0.10 0.48 -0.04 3.93 4.26 2bp5M1 ILE 241 H -0.02 0.37 0.13 -0.55 8.25 8.18 2bp5M1 ILE 241 HA 0.00 0.16 0.20 -0.75 4.18 3.78 2bp5M1 ILE 241 HB 0.01 0.02 0.02 -0.04 1.89 1.90 2bp5M1 ILE 241 HG12 -0.01 -0.08 -0.39 -0.04 1.49 0.97 2bp5M1 ILE 241 HG13 -0.03 0.06 -0.16 -0.04 1.21 1.04 2bp5M1 ILE 241 HG23 0.00 0.01 -0.07 -0.04 0.93 0.83 2bp5M1 ILE 241 HD13 -0.03 -0.02 -0.37 -0.04 0.88 0.41 2bp5M1 ALA 242 H 0.02 0.22 0.12 -0.55 8.40 8.22 2bp5M1 ALA 242 HA 0.01 0.21 0.78 -0.75 4.34 4.58 2bp5M1 ALA 242 HB3 0.02 0.01 0.07 -0.04 1.41 1.47 2bp5M1 ILE 243 H 0.00 0.26 0.14 -0.55 8.25 8.10 2bp5M1 ILE 243 HA 0.04 0.14 0.88 -0.75 4.18 4.49 2bp5M1 ILE 243 HB 0.00 0.04 0.15 -0.04 1.89 2.04 2bp5M1 ILE 243 HG12 -0.07 0.01 -0.18 -0.04 1.49 1.20 2bp5M1 ILE 243 HG13 -0.06 0.01 -0.16 -0.04 1.21 0.96 2bp5M1 ILE 243 HG23 0.03 -0.01 -0.09 -0.04 0.93 0.82 2bp5M1 ILE 243 HD13 -0.22 -0.00 -0.12 -0.04 0.88 0.50 2bp5M1 ASP 244 H 0.06 0.40 0.40 -0.55 8.40 8.71 2bp5M1 ASP 244 HA 0.03 0.10 0.45 -0.75 4.63 4.46 2bp5M1 ASP 244 HB2 0.03 0.01 -0.11 -0.04 2.71 2.61 2bp5M1 ASP 244 HB3 0.02 -0.01 0.10 -0.04 2.70 2.77 2bp5M1 ASP 245 H 0.05 0.29 0.09 -0.55 8.40 8.28 2bp5M1 ASP 245 HA 0.04 0.09 0.07 -0.75 4.63 4.08 2bp5M1 ASP 245 HB2 0.03 -0.03 0.19 -0.04 2.71 2.86 2bp5M1 ASP 245 HB3 0.02 0.48 0.76 -0.04 2.70 3.91 2bp5M1 CYS 246 H 0.03 0.16 0.10 -0.55 8.50 8.24 2bp5M1 CYS 246 HA -0.02 -0.05 0.52 -0.75 4.58 4.28 2bp5M1 CYS 246 HB2 -0.18 0.39 0.22 -0.04 2.97 3.35 2bp5M1 CYS 246 HB3 0.03 0.04 0.32 -0.04 2.97 3.32 2bp5M1 THR 247 H -0.05 0.07 0.18 -0.55 8.28 7.93 2bp5M1 THR 247 HA 0.07 0.13 0.85 -0.75 4.39 4.68 2bp5M1 THR 247 HB 0.01 0.11 0.16 -0.04 4.32 4.55 2bp5M1 THR 247 HG23 0.01 -0.01 0.05 -0.04 1.22 1.23 2bp5M1 PHE 248 H 0.23 0.12 0.21 -0.55 8.34 8.35 2bp5M1 PHE 248 HA -0.00 0.18 0.96 -0.75 4.62 5.01 2bp5M1 PHE 248 HB2 -0.01 -0.01 0.06 -0.04 3.15 3.14 2bp5M1 PHE 248 HB3 -0.02 0.03 0.16 -0.04 3.06 3.20 2bp5M1 PHE 248 HD2 -0.00 -0.02 -0.01 -0.04 7.28 7.20 2bp5M1 PHE 248 HE2 0.05 -0.02 -0.06 -0.04 7.38 7.31 2bp5M1 PHE 248 HZ 0.03 -0.02 -0.08 -0.04 7.32 7.21 2bp5M1 HIS 249 H 0.21 0.38 0.29 -0.55 8.41 8.75 2bp5M1 HIS 249 HA -0.03 0.04 0.69 -0.75 4.63 4.58 2bp5M1 HIS 249 HB2 0.05 0.44 0.30 -0.04 3.26 4.01 2bp5M1 HIS 249 HB3 -0.02 -0.07 0.15 -0.04 3.20 3.23 2bp5M1 HIS 249 HD2 0.05 0.02 0.11 -0.04 6.97 7.11 2bp5M1 HIS 249 HE1 -0.63 0.03 0.03 -0.04 7.75 7.13 2bp5M1 GLN 250 H -0.67 0.14 0.20 -0.55 8.47 7.59 2bp5M1 GLN 250 HA -0.23 0.07 0.40 -0.75 4.36 3.84 2bp5M1 GLN 250 HB2 -0.40 0.01 0.19 -0.04 2.15 1.91 2bp5M1 GLN 250 HB3 -0.83 -0.05 0.14 -0.04 2.02 1.25 2bp5M1 GLN 250 HG2 -0.47 0.04 -0.22 -0.04 2.40 1.71 2bp5M1 GLN 250 HG3 -0.11 0.01 0.07 -0.04 2.39 2.32 2bp5M1 GLN 250 HE21 0.20 -0.02 0.01 -0.04 6.97 7.12 2bp5M1 GLN 250 HE22 0.18 0.02 0.01 -0.04 7.69 7.86 2bp5M1 CYS 251 H -0.42 -0.00 -0.38 -0.55 8.50 7.15 2bp5M1 CYS 251 HA -0.81 0.05 0.30 -0.75 4.58 3.37 2bp5M1 CYS 251 HB2 -0.18 0.03 0.21 -0.04 2.97 2.99 2bp5M1 CYS 251 HB3 -2.22 -0.07 0.09 -0.04 2.97 0.74 2bp5M1 VAL 252 H -0.09 0.55 -0.37 -0.55 8.24 7.77 2bp5M1 VAL 252 HA 0.11 0.23 0.91 -0.75 4.13 4.62 2bp5M1 VAL 252 HB -0.05 -0.03 0.07 -0.04 2.12 2.06 2bp5M1 VAL 252 HG13 -0.26 -0.02 -0.12 -0.04 0.97 0.53 2bp5M1 VAL 252 HG23 0.07 0.01 0.01 -0.04 0.95 1.00 2bp5M1 ARG 253 H 0.10 0.89 0.48 -0.55 8.46 9.37 2bp5M1 ARG 253 HA 0.02 0.05 0.83 -0.75 4.34 4.48 2bp5M1 ARG 253 HB2 0.08 -0.01 0.17 -0.04 1.90 2.11 2bp5M1 ARG 253 HB3 0.05 -0.06 -0.01 -0.04 1.80 1.74 2bp5M1 ARG 253 HG2 0.14 0.13 -0.05 -0.04 1.67 1.85 2bp5M1 ARG 253 HG3 0.10 -0.05 -0.04 -0.04 1.67 1.64 2bp5M1 ARG 253 HD2 0.08 -0.06 -0.01 -0.04 3.22 3.19 2bp5M1 ARG 253 HD3 0.06 0.01 0.03 -0.04 3.22 3.28 2bp5M1 LEU 254 H -0.02 0.07 0.18 -0.55 8.37 8.05 2bp5M1 LEU 254 HA -0.18 0.04 -0.14 -0.75 4.35 3.31 2bp5M1 LEU 254 HB2 -0.03 -0.04 0.15 -0.04 1.64 1.68 2bp5M1 LEU 254 HB3 -0.05 -0.01 0.05 -0.04 1.64 1.59 2bp5M1 LEU 254 HG -0.05 0.13 0.19 -0.04 1.64 1.87 2bp5M1 LEU 254 HD13 -0.00 -0.01 0.08 -0.04 0.93 0.96 2bp5M1 LEU 254 HD23 -0.07 -0.01 0.03 -0.04 0.89 0.80 2bp5M1 SER 255 H -0.02 0.06 0.07 -0.55 8.46 8.02 2bp5M1 SER 255 HA -0.04 0.39 0.84 -0.75 4.49 4.92 2bp5M1 SER 255 HB2 -0.00 0.01 0.16 -0.04 3.95 4.08 2bp5M1 SER 255 HB3 -0.01 -0.07 -0.03 -0.04 3.93 3.77 2bp5M1 GLU 260 HA 0.02 -0.02 0.27 -0.75 4.29 3.80 2bp5M1 GLU 260 HB2 0.04 -0.02 0.11 -0.04 2.09 2.18 2bp5M1 GLU 260 HB3 0.04 -0.04 0.01 -0.04 1.99 1.95 2bp5M1 GLU 260 HG2 0.02 -0.00 0.04 -0.04 2.34 2.35 2bp5M1 GLU 260 HG3 0.03 -0.02 0.00 -0.04 2.34 2.31 2bp5M1 ARG 261 H 0.02 0.13 0.23 -0.55 8.46 8.28 2bp5M1 ARG 261 HA 0.02 0.09 2.39 -0.75 4.34 6.08 2bp5M1 ARG 261 HB2 0.01 -0.07 0.27 -0.04 1.90 2.07 2bp5M1 ARG 261 HB3 0.01 -0.00 0.17 -0.04 1.80 1.94 2bp5M1 SER 262 H 0.05 0.57 -0.77 -0.55 8.46 7.77 2bp5M1 SER 262 HA 0.04 -0.01 0.02 -0.75 4.49 3.79 2bp5M1 SER 262 HB2 0.11 0.08 -0.04 -0.04 3.95 4.05 2bp5M1 SER 262 HB3 0.14 0.05 -0.10 -0.04 3.93 3.98 2bp5M1 ILE 263 H 0.12 0.30 0.20 -0.55 8.25 8.32 2bp5M1 ILE 263 HA 0.05 0.21 0.35 -0.75 4.18 4.04 2bp5M1 ILE 263 HB 0.33 0.02 0.18 -0.04 1.89 2.38 2bp5M1 ILE 263 HG12 0.09 0.04 -0.06 -0.04 1.49 1.52 2bp5M1 ILE 263 HG13 0.07 -0.01 -0.12 -0.04 1.21 1.11 2bp5M1 ILE 263 HG23 0.22 -0.01 -0.09 -0.04 0.93 1.01 2bp5M1 ILE 263 HD13 0.22 -0.01 -0.04 -0.04 0.88 1.01 2bp5M1 SER 264 H 0.15 0.30 0.31 -0.55 8.46 8.68 2bp5M1 SER 264 HA 0.21 0.25 1.17 -0.75 4.49 5.37 2bp5M1 SER 264 HB2 0.10 0.11 0.15 -0.04 3.95 4.27 2bp5M1 SER 264 HB3 0.11 -0.04 -0.00 -0.04 3.93 3.96 2bp5M1 PHE 265 H -0.11 0.61 0.38 -0.55 8.34 8.68 2bp5M1 PHE 265 HA 0.12 0.14 0.69 -0.75 4.62 4.82 2bp5M1 PHE 265 HB2 0.07 0.01 -0.09 -0.04 3.15 3.09 2bp5M1 PHE 265 HB3 0.08 0.09 -0.15 -0.04 3.06 3.04 2bp5M1 PHE 265 HD2 0.11 -0.05 -0.46 -0.04 7.28 6.84 2bp5M1 PHE 265 HE2 0.21 -0.07 -0.17 -0.04 7.38 7.31 2bp5M1 PHE 265 HZ 0.05 -0.04 -0.19 -0.04 7.32 7.10 2bp5M1 ILE 266 H 0.39 0.28 0.20 -0.55 8.25 8.56 2bp5M1 ILE 266 HA 0.11 0.42 0.92 -0.75 4.18 4.88 2bp5M1 ILE 266 HB 0.36 -0.09 0.17 -0.04 1.89 2.29 2bp5M1 ILE 266 HG12 0.08 0.26 -0.27 -0.04 1.49 1.52 2bp5M1 ILE 266 HG13 0.10 -0.11 -0.15 -0.04 1.21 1.02 2bp5M1 ILE 266 HG23 0.17 -0.01 -0.16 -0.04 0.93 0.90 2bp5M1 ILE 266 HD13 0.07 -0.03 -0.06 -0.04 0.88 0.82 2bp5M1 PRO 267 HA -0.15 0.04 0.25 -0.51 4.44 4.07 2bp5M1 PRO 267 HB2 0.07 0.26 -0.19 -0.04 2.28 2.38 2bp5M1 PRO 267 HB3 0.52 -0.07 -0.07 -0.04 2.02 2.35 2bp5M1 PRO 267 HG2 0.12 0.03 -0.10 -0.04 2.03 2.04 2bp5M1 PRO 267 HG3 0.17 -0.05 -0.10 -0.04 2.03 2.01 2bp5M1 PRO 267 HD2 0.10 0.24 0.13 -0.04 3.68 4.11 2bp5M1 PRO 267 HD3 -0.00 0.10 -0.02 -0.04 3.65 3.69 2bp5M1 PRO 268 HA 0.16 0.07 0.57 -0.51 4.44 4.74 2bp5M1 PRO 268 HB2 -0.14 0.11 -0.20 -0.04 2.28 2.01 2bp5M1 PRO 268 HB3 0.07 0.16 0.14 -0.04 2.02 2.35 2bp5M1 PRO 268 HG2 -0.91 -0.03 -0.00 -0.04 2.03 1.04 2bp5M1 PRO 268 HG3 -0.29 -0.02 0.06 -0.04 2.03 1.74 2bp5M1 PRO 268 HD2 -2.47 0.04 0.10 -0.04 3.68 1.30 2bp5M1 PRO 268 HD3 -0.83 0.11 0.14 -0.04 3.65 3.03 2bp5M1 ASP 269 H 0.07 0.07 0.18 -0.55 8.40 8.17 2bp5M1 ASP 269 HA 0.06 0.11 0.55 -0.75 4.63 4.59 2bp5M1 ASP 269 HB2 0.11 0.02 0.13 -0.04 2.71 2.93 2bp5M1 ASP 269 HB3 0.10 -0.05 0.11 -0.04 2.70 2.81 2bp5M1 GLY 270 H -0.15 0.58 0.35 -0.55 8.43 8.67 2bp5M1 GLY 270 HA2 -0.17 -0.03 0.35 -0.51 4.01 3.65 2bp5M1 GLY 270 HA3 0.04 0.05 0.56 -0.51 4.01 4.15 2bp5M1 GLU 271 H 0.05 0.13 0.22 -0.55 8.60 8.45 2bp5M1 GLU 271 HA 0.01 0.33 0.77 -0.75 4.29 4.65 2bp5M1 GLU 271 HB2 0.01 -0.07 0.05 -0.04 2.09 2.04 2bp5M1 GLU 271 HB3 0.03 -0.03 0.17 -0.04 1.99 2.12 2bp5M1 GLU 271 HG2 -0.06 0.08 -0.09 -0.04 2.34 2.24 2bp5M1 GLU 271 HG3 -0.03 -0.04 -0.07 -0.04 2.34 2.15 2bp5M1 PHE 272 H -0.08 0.73 0.45 -0.55 8.34 8.88 2bp5M1 PHE 272 HA -0.08 0.07 0.47 -0.75 4.62 4.34 2bp5M1 PHE 272 HB2 -0.28 -0.08 0.13 -0.04 3.15 2.88 2bp5M1 PHE 272 HB3 -0.15 0.12 -0.14 -0.04 3.06 2.85 2bp5M1 PHE 272 HD2 -0.47 0.12 -0.21 -0.04 7.28 6.68 2bp5M1 PHE 272 HE2 -0.26 0.01 -0.14 -0.04 7.38 6.95 2bp5M1 PHE 272 HZ -0.20 -0.02 -0.14 -0.04 7.32 6.92 2bp5M1 GLU 273 H 0.02 0.16 0.14 -0.55 8.60 8.37 2bp5M1 GLU 273 HA -0.29 0.12 0.87 -0.75 4.29 4.23 2bp5M1 GLU 273 HB2 -0.05 -0.02 0.06 -0.04 2.09 2.03 2bp5M1 GLU 273 HB3 0.01 -0.01 0.10 -0.04 1.99 2.05 2bp5M1 GLU 273 HG2 -0.11 0.04 -0.27 -0.04 2.34 1.96 2bp5M1 GLU 273 HG3 -0.11 -0.01 -0.05 -0.04 2.34 2.12 2bp5M1 LEU 274 H -0.46 0.55 0.39 -0.55 8.37 8.30 2bp5M1 LEU 274 HA -0.20 0.04 0.48 -0.75 4.35 3.91 2bp5M1 LEU 274 HB2 -0.67 0.00 0.00 -0.04 1.64 0.93 2bp5M1 LEU 274 HB3 -0.39 -0.01 0.15 -0.04 1.64 1.34 2bp5M1 LEU 274 HG -0.18 0.01 -0.28 -0.04 1.64 1.15 2bp5M1 LEU 274 HD13 -0.67 -0.00 -0.07 -0.04 0.93 0.14 2bp5M1 LEU 274 HD23 -0.62 -0.01 -0.12 -0.04 0.89 0.10 2bp5M1 MET 275 H -0.17 0.21 0.26 -0.55 8.47 8.23 2bp5M1 MET 275 HA -0.18 0.21 0.65 -0.75 4.52 4.44 2bp5M1 MET 275 HB2 -0.50 0.16 0.07 -0.04 2.15 1.84 2bp5M1 MET 275 HB3 -0.42 0.04 -0.05 -0.04 2.03 1.56 2bp5M1 MET 275 HG2 -0.08 -0.10 -0.07 -0.04 2.63 2.34 2bp5M1 MET 275 HG3 0.02 -0.10 -0.22 -0.04 2.56 2.22 2bp5M1 MET 275 HE3 -0.35 0.03 -0.17 -0.04 2.10 1.56 2bp5M1 ARG 276 H -0.19 0.72 0.31 -0.55 8.46 8.75 2bp5M1 ARG 276 HA -0.09 0.24 1.02 -0.75 4.34 4.76 2bp5M1 ARG 276 HB2 -0.08 -0.03 -0.08 -0.04 1.90 1.67 2bp5M1 ARG 276 HB3 -0.08 -0.09 0.16 -0.04 1.80 1.76 2bp5M1 ARG 276 HG2 -0.08 -0.01 0.00 -0.04 1.67 1.54 2bp5M1 ARG 276 HG3 -0.09 0.05 0.09 -0.04 1.67 1.68 2bp5M1 ARG 276 HD2 -0.05 -0.02 -0.03 -0.04 3.22 3.08 2bp5M1 ARG 276 HD3 -0.05 -0.02 -0.02 -0.04 3.22 3.09 2bp5M1 TYR 277 H -0.30 0.71 0.46 -0.55 8.29 8.61 2bp5M1 TYR 277 HA -0.07 0.15 0.92 -0.75 4.56 4.81 2bp5M1 TYR 277 HB2 -0.03 0.05 0.15 -0.04 3.06 3.19 2bp5M1 TYR 277 HB3 -0.10 0.07 -0.19 -0.04 2.98 2.72 2bp5M1 TYR 277 HD2 -0.03 0.02 -0.44 -0.04 7.15 6.66 2bp5M1 TYR 277 HE2 0.01 -0.04 -0.36 -0.04 6.85 6.43 2bp5M1 ARG 278 H 0.14 0.51 0.37 -0.55 8.46 8.93 2bp5M1 ARG 278 HA 0.04 0.40 1.12 -0.75 4.34 5.14 2bp5M1 ARG 278 HB2 -0.01 -0.04 -0.08 -0.04 1.90 1.73 2bp5M1 ARG 278 HB3 0.02 -0.04 -0.03 -0.04 1.80 1.72 2bp5M1 ARG 278 HG2 0.02 -0.03 0.05 -0.04 1.67 1.66 2bp5M1 ARG 278 HG3 0.00 0.09 0.15 -0.04 1.67 1.87 2bp5M1 ARG 278 HD2 -0.12 -0.01 -0.03 -0.04 3.22 3.02 2bp5M1 ARG 278 HD3 -0.05 -0.01 -0.07 -0.04 3.22 3.05 2bp5M1 THR 279 H 0.10 0.49 0.41 -0.55 8.28 8.73 2bp5M1 THR 279 HA 0.09 0.05 0.93 -0.75 4.39 4.70 2bp5M1 THR 279 HB 0.15 -0.01 0.03 -0.04 4.32 4.45 2bp5M1 THR 279 HG23 0.10 -0.00 -0.18 -0.04 1.22 1.09 2bp5M1 THR 280 H 0.06 0.03 0.30 -0.55 8.28 8.12 2bp5M1 THR 280 HA 0.09 0.21 0.84 -0.75 4.39 4.77 2bp5M1 THR 280 HB 0.05 0.06 0.16 -0.04 4.32 4.55 2bp5M1 THR 280 HG23 0.05 -0.01 -0.05 -0.04 1.22 1.18 2bp5M1 LYS 281 H 0.05 -0.03 0.24 -0.55 8.42 8.13 2bp5M1 LYS 281 HA 0.03 0.10 0.50 -0.75 4.32 4.20 2bp5M1 LYS 281 HB2 0.03 0.00 0.20 -0.04 1.87 2.06 2bp5M1 LYS 281 HB3 0.02 0.06 0.01 -0.04 1.79 1.84 2bp5M1 ASP 282 H 0.03 0.14 0.21 -0.55 8.40 8.23 2bp5M1 ASP 282 HA 0.03 0.02 0.31 -0.75 4.63 4.23 2bp5M1 ASP 282 HB2 0.02 0.04 -0.54 -0.04 2.71 2.19 2bp5M1 ASP 282 HB3 0.02 0.05 0.13 -0.04 2.70 2.86 2bp5M1 ILE 283 H 0.05 0.02 -0.12 -0.55 8.25 7.65 2bp5M1 ILE 283 HA 0.07 0.17 0.32 -0.75 4.18 3.98 2bp5M1 ILE 283 HB 0.06 -0.05 -0.11 -0.04 1.89 1.76 2bp5M1 ILE 283 HG12 0.08 -0.04 -0.33 -0.04 1.49 1.16 2bp5M1 ILE 283 HG13 0.07 -0.01 -0.66 -0.04 1.21 0.56 2bp5M1 ILE 283 HG23 0.10 -0.01 -0.46 -0.04 0.93 0.51 2bp5M1 ILE 283 HD13 0.07 0.02 -0.37 -0.04 0.88 0.56 2bp5M1 ILE 284 H 0.10 0.75 0.24 -0.55 8.25 8.80 2bp5M1 ILE 284 HA 0.06 0.06 0.67 -0.75 4.18 4.22 2bp5M1 ILE 284 HB 0.20 -0.04 0.19 -0.04 1.89 2.20 2bp5M1 ILE 284 HG12 -0.02 -0.03 -0.03 -0.04 1.49 1.38 2bp5M1 ILE 284 HG13 0.03 0.08 -0.07 -0.04 1.21 1.21 2bp5M1 ILE 284 HG23 0.09 -0.03 -0.25 -0.04 0.93 0.69 2bp5M1 ILE 284 HD13 -0.04 -0.02 -0.05 -0.04 0.88 0.73 2bp5M1 LEU 285 H 0.09 0.20 0.03 -0.55 8.37 8.15 2bp5M1 LEU 285 HA 0.24 0.12 0.62 -0.75 4.35 4.57 2bp5M1 LEU 285 HB2 0.09 -0.01 0.14 -0.04 1.64 1.82 2bp5M1 LEU 285 HB3 0.16 0.06 0.02 -0.04 1.64 1.84 2bp5M1 LEU 285 HG 0.07 0.08 -0.12 -0.04 1.64 1.63 2bp5M1 LEU 285 HD13 0.00 -0.01 -0.02 -0.04 0.93 0.87 2bp5M1 LEU 285 HD23 0.08 0.01 -0.17 -0.04 0.89 0.76 2bp5M1 PRO 286 HA 0.13 0.14 0.13 -0.51 4.44 4.33 2bp5M1 PRO 286 HB2 -0.65 0.01 -0.20 -0.04 2.28 1.40 2bp5M1 PRO 286 HB3 -0.28 -0.02 -0.06 -0.04 2.02 1.61 2bp5M1 PRO 286 HG2 -0.12 -0.00 -0.09 -0.04 2.03 1.77 2bp5M1 PRO 286 HG3 0.05 0.04 -0.08 -0.04 2.03 2.00 2bp5M1 PRO 286 HD2 0.22 0.05 0.06 -0.04 3.68 3.97 2bp5M1 PRO 286 HD3 0.20 0.47 0.21 -0.04 3.65 4.49 2bp5M1 PHE 287 H 0.26 0.15 -0.40 -0.55 8.34 7.80 2bp5M1 PHE 287 HA 0.02 0.33 1.04 -0.75 4.62 5.25 2bp5M1 PHE 287 HB2 -0.14 -0.05 -0.16 -0.04 3.15 2.76 2bp5M1 PHE 287 HB3 0.03 -0.00 -0.23 -0.04 3.06 2.82 2bp5M1 PHE 287 HD2 -0.74 -0.04 -0.33 -0.04 7.28 6.14 2bp5M1 PHE 287 HE2 -0.29 -0.03 -0.23 -0.04 7.38 6.78 2bp5M1 PHE 287 HZ 0.02 -0.02 -0.17 -0.04 7.32 7.11 2bp5M1 ARG 288 H 0.20 0.49 0.31 -0.55 8.46 8.91 2bp5M1 ARG 288 HA 0.15 0.18 0.98 -0.75 4.34 4.90 2bp5M1 ARG 288 HB2 0.07 0.05 -0.08 -0.04 1.90 1.89 2bp5M1 ARG 288 HB3 0.08 -0.04 0.11 -0.04 1.80 1.90 2bp5M1 ARG 288 HG2 0.05 -0.05 -0.16 -0.04 1.67 1.48 2bp5M1 ARG 288 HG3 0.07 0.08 -0.30 -0.04 1.67 1.48 2bp5M1 ARG 288 HD2 0.05 0.02 0.01 -0.04 3.22 3.26 2bp5M1 ARG 288 HD3 0.04 -0.03 -0.05 -0.04 3.22 3.14 2bp5M1 VAL 289 H 0.12 0.23 0.12 -0.55 8.24 8.16 2bp5M1 VAL 289 HA 0.13 0.26 1.00 -0.75 4.13 4.77 2bp5M1 VAL 289 HB 0.11 0.01 0.07 -0.04 2.12 2.26 2bp5M1 VAL 289 HG13 0.12 0.01 -0.20 -0.04 0.97 0.85 2bp5M1 VAL 289 HG23 0.18 -0.00 -0.26 -0.04 0.95 0.83 2bp5M1 ILE 290 H 0.10 0.60 0.26 -0.55 8.25 8.66 2bp5M1 ILE 290 HA 0.05 0.30 1.05 -0.75 4.18 4.83 2bp5M1 ILE 290 HB 0.07 -0.09 0.20 -0.04 1.89 2.03 2bp5M1 ILE 290 HG12 0.04 0.05 -0.15 -0.04 1.49 1.39 2bp5M1 ILE 290 HG13 0.07 -0.12 -0.66 -0.04 1.21 0.46 2bp5M1 ILE 290 HG23 0.04 0.01 -0.09 -0.04 0.93 0.85 2bp5M1 ILE 290 HD13 0.05 -0.01 -0.15 -0.04 0.88 0.73 2bp5M1 PRO 291 HA 0.06 0.15 0.87 -0.51 4.44 5.01 2bp5M1 PRO 291 HB2 0.05 -0.03 -0.06 -0.04 2.28 2.20 2bp5M1 PRO 291 HB3 0.06 -0.00 0.02 -0.04 2.02 2.06 2bp5M1 PRO 291 HG2 0.03 -0.02 0.15 -0.04 2.03 2.15 2bp5M1 PRO 291 HG3 0.04 0.13 -0.04 -0.04 2.03 2.11 2bp5M1 PRO 291 HD2 0.04 0.13 0.33 -0.04 3.68 4.14 2bp5M1 PRO 291 HD3 0.05 0.29 0.03 -0.04 3.65 3.98 2bp5M1 LEU 292 H 0.04 0.68 0.45 -0.55 8.37 8.99 2bp5M1 LEU 292 HA 0.03 0.11 0.83 -0.75 4.35 4.56 2bp5M1 LEU 292 HB2 0.03 0.05 -0.14 -0.04 1.64 1.54 2bp5M1 LEU 292 HB3 0.02 -0.10 0.17 -0.04 1.64 1.69 2bp5M1 LEU 292 HG 0.02 -0.01 -0.06 -0.04 1.64 1.54 2bp5M1 LEU 292 HD13 0.02 0.01 0.07 -0.04 0.93 0.99 2bp5M1 LEU 292 HD23 0.01 -0.02 -0.06 -0.04 0.89 0.79 2bp5M1 VAL 293 H 0.03 0.23 0.19 -0.55 8.24 8.14 2bp5M1 VAL 293 HA 0.04 0.29 1.13 -0.75 4.13 4.84 2bp5M1 VAL 293 HB 0.06 -0.03 0.07 -0.04 2.12 2.18 2bp5M1 VAL 293 HG13 0.12 -0.01 -0.16 -0.04 0.97 0.89 2bp5M1 VAL 293 HG23 0.09 0.00 -0.21 -0.04 0.95 0.78 2bp5M1 ARG 294 H 0.03 0.65 0.35 -0.55 8.46 8.93 2bp5M1 ARG 294 HA 0.02 0.12 1.01 -0.75 4.34 4.74 2bp5M1 ARG 294 HB2 0.01 0.02 -0.06 -0.04 1.90 1.83 2bp5M1 ARG 294 HB3 0.00 -0.06 -0.00 -0.04 1.80 1.70 2bp5M1 ARG 294 HG2 0.01 0.02 0.10 -0.04 1.67 1.76 2bp5M1 ARG 294 HG3 0.01 0.03 -0.02 -0.04 1.67 1.66 2bp5M1 ARG 294 HD2 0.00 -0.01 -0.01 -0.04 3.22 3.17 2bp5M1 ARG 294 HD3 0.00 -0.01 -0.05 -0.04 3.22 3.12 2bp5M1 GLU 295 H 0.02 0.17 0.21 -0.55 8.60 8.46 2bp5M1 GLU 295 HA 0.01 0.19 0.87 -0.75 4.29 4.60 2bp5M1 GLU 295 HB2 0.02 -0.05 0.10 -0.04 2.09 2.12 2bp5M1 GLU 295 HB3 0.02 0.14 0.06 -0.04 1.99 2.17 2bp5M1 GLU 295 HG2 0.06 0.03 -0.07 -0.04 2.34 2.32 2bp5M1 GLU 295 HG3 0.04 -0.05 0.05 -0.04 2.34 2.34 2bp5M1 VAL 296 H -0.01 0.73 0.23 -0.55 8.24 8.64 2bp5M1 VAL 296 HA -0.00 0.09 0.87 -0.75 4.13 4.33 2bp5M1 VAL 296 HB -0.02 -0.00 0.13 -0.04 2.12 2.19 2bp5M1 VAL 296 HG13 -0.01 -0.02 -0.03 -0.04 0.97 0.87 2bp5M1 VAL 296 HG23 -0.01 0.01 -0.26 -0.04 0.95 0.65 2bp5M1 GLY 297 H -0.00 0.19 0.04 -0.55 8.43 8.11 2bp5M1 GLY 297 HA2 -0.00 0.07 0.32 -0.51 4.01 3.89 2bp5M1 GLY 297 HA3 -0.01 -0.03 0.45 -0.51 4.01 3.91 2bp5M1 ARG 298 H -0.01 0.08 0.27 -0.55 8.46 8.25 2bp5M1 ARG 298 HA -0.01 0.20 0.67 -0.75 4.34 4.44 2bp5M1 ARG 298 HB2 -0.01 -0.00 0.09 -0.04 1.90 1.93 2bp5M1 ARG 298 HB3 -0.01 0.04 0.13 -0.04 1.80 1.93 2bp5M1 THR 299 H -0.02 0.30 0.13 -0.55 8.28 8.14 2bp5M1 THR 299 HA -0.03 0.28 0.41 -0.75 4.39 4.29 2bp5M1 THR 299 HB -0.02 -0.07 0.02 -0.04 4.32 4.21 2bp5M1 THR 299 HG23 -0.02 -0.01 0.04 -0.04 1.22 1.18 2bp5M1 LYS 300 H -0.03 0.41 0.21 -0.55 8.42 8.45 2bp5M1 LYS 300 HA -0.06 0.35 1.17 -0.75 4.32 5.03 2bp5M1 LYS 300 HB2 -0.03 -0.08 0.07 -0.04 1.87 1.78 2bp5M1 LYS 300 HB3 -0.04 0.03 -0.06 -0.04 1.79 1.68 2bp5M1 LYS 300 HG2 -0.05 0.05 -0.11 -0.04 1.46 1.31 2bp5M1 LYS 300 HG3 -0.04 -0.08 -0.30 -0.04 1.46 1.00 2bp5M1 LYS 300 HD2 -0.03 -0.02 -0.06 -0.04 1.69 1.53 2bp5M1 LYS 300 HD3 -0.04 0.00 -0.08 -0.04 1.68 1.53 2bp5M1 LYS 300 HE2 -0.03 0.01 -0.06 -0.04 2.99 2.87 2bp5M1 LYS 300 HE3 -0.02 -0.03 -0.06 -0.04 2.99 2.83 2bp5M1 LEU 301 H -0.08 0.69 0.38 -0.55 8.37 8.82 2bp5M1 LEU 301 HA -0.02 0.21 0.91 -0.75 4.35 4.70 2bp5M1 LEU 301 HB2 -0.09 -0.06 0.18 -0.04 1.64 1.63 2bp5M1 LEU 301 HB3 -0.01 0.03 -0.07 -0.04 1.64 1.55 2bp5M1 LEU 301 HG -0.10 0.00 -0.12 -0.04 1.64 1.38 2bp5M1 LEU 301 HD13 -0.08 -0.00 -0.06 -0.04 0.93 0.74 2bp5M1 LEU 301 HD23 0.03 0.01 -0.02 -0.04 0.89 0.88 2bp5M1 GLU 302 H -0.01 0.72 0.28 -0.55 8.60 9.04 2bp5M1 GLU 302 HA -0.03 0.17 1.03 -0.75 4.29 4.71 2bp5M1 GLU 302 HB2 -0.01 -0.02 0.21 -0.04 2.09 2.24 2bp5M1 GLU 302 HB3 -0.01 0.01 -0.01 -0.04 1.99 1.94 2bp5M1 GLU 302 HG2 -0.02 -0.03 -0.09 -0.04 2.34 2.16 2bp5M1 GLU 302 HG3 -0.01 -0.02 -0.03 -0.04 2.34 2.23 2bp5M1 VAL 303 H -0.03 0.74 0.40 -0.55 8.24 8.80 2bp5M1 VAL 303 HA 0.02 0.32 1.25 -0.75 4.13 4.97 2bp5M1 VAL 303 HB -0.01 -0.05 0.11 -0.04 2.12 2.13 2bp5M1 VAL 303 HG13 0.04 0.01 -0.20 -0.04 0.97 0.77 2bp5M1 VAL 303 HG23 0.05 -0.01 -0.22 -0.04 0.95 0.72 2bp5M1 LYS 304 H 0.01 0.72 0.42 -0.55 8.42 9.02 2bp5M1 LYS 304 HA -0.04 0.27 1.04 -0.75 4.32 4.83 2bp5M1 LYS 304 HB2 -0.01 -0.05 0.03 -0.04 1.87 1.80 2bp5M1 LYS 304 HB3 0.01 -0.03 0.12 -0.04 1.79 1.84 2bp5M1 LYS 304 HG2 0.01 0.01 -0.23 -0.04 1.46 1.21 2bp5M1 LYS 304 HG3 -0.03 0.08 0.03 -0.04 1.46 1.50 2bp5M1 LYS 304 HD2 -0.00 -0.03 -0.09 -0.04 1.69 1.53 2bp5M1 LYS 304 HD3 -0.01 -0.03 -0.06 -0.04 1.68 1.55 2bp5M1 LYS 304 HE2 0.02 0.03 -0.11 -0.04 2.99 2.89 2bp5M1 LYS 304 HE3 0.02 -0.01 -0.10 -0.04 2.99 2.86 2bp5M1 VAL 305 H -0.03 0.65 0.34 -0.55 8.24 8.65 2bp5M1 VAL 305 HA 0.07 0.27 1.10 -0.75 4.13 4.81 2bp5M1 VAL 305 HB 0.07 -0.05 0.03 -0.04 2.12 2.13 2bp5M1 VAL 305 HG13 0.20 -0.00 -0.27 -0.04 0.97 0.86 2bp5M1 VAL 305 HG23 0.08 -0.02 -0.25 -0.04 0.95 0.72 2bp5M1 VAL 306 H 0.10 0.58 0.29 -0.55 8.24 8.66 2bp5M1 VAL 306 HA 0.17 0.24 1.15 -0.75 4.13 4.93 2bp5M1 VAL 306 HB 0.08 0.03 0.15 -0.04 2.12 2.34 2bp5M1 VAL 306 HG13 0.09 -0.00 -0.16 -0.04 0.97 0.85 2bp5M1 VAL 306 HG23 0.06 -0.02 -0.12 -0.04 0.95 0.83 2bp5M1 ILE 307 H 0.23 0.72 0.41 -0.55 8.25 9.06 2bp5M1 ILE 307 HA 0.16 0.41 1.17 -0.75 4.18 5.16 2bp5M1 ILE 307 HB 0.15 0.01 -0.06 -0.04 1.89 1.95 2bp5M1 ILE 307 HG12 0.11 0.01 -0.09 -0.04 1.49 1.48 2bp5M1 ILE 307 HG13 0.10 -0.13 0.01 -0.04 1.21 1.16 2bp5M1 ILE 307 HG23 0.10 -0.01 -0.25 -0.04 0.93 0.73 2bp5M1 ILE 307 HD13 -0.31 -0.00 -0.21 -0.04 0.88 0.32 2bp5M1 LYS 308 H 0.18 0.54 0.32 -0.55 8.42 8.90 2bp5M1 LYS 308 HA 0.04 0.37 1.13 -0.75 4.32 5.10 2bp5M1 LYS 308 HB2 0.05 -0.04 0.12 -0.04 1.87 1.97 2bp5M1 LYS 308 HB3 -0.01 0.03 -0.08 -0.04 1.79 1.68 2bp5M1 LYS 308 HG2 0.02 0.07 -0.02 -0.04 1.46 1.50 2bp5M1 LYS 308 HG3 0.05 -0.05 -0.25 -0.04 1.46 1.17 2bp5M1 LYS 308 HD2 0.02 -0.01 -0.09 -0.04 1.69 1.57 2bp5M1 LYS 308 HD3 -0.00 0.01 -0.09 -0.04 1.68 1.56 2bp5M1 LYS 308 HE2 0.03 0.00 -0.10 -0.04 2.99 2.88 2bp5M1 LYS 308 HE3 0.01 -0.02 -0.08 -0.04 2.99 2.87 2bp5M1 SER 309 H -0.10 0.30 0.17 -0.55 8.46 8.29 2bp5M1 SER 309 HA -0.63 0.28 0.89 -0.75 4.49 4.28 2bp5M1 SER 309 HB2 -1.29 -0.05 -0.12 -0.04 3.95 2.45 2bp5M1 SER 309 HB3 -0.35 0.02 -0.08 -0.04 3.93 3.48 2bp5M1 ASN 310 H -0.28 0.72 0.17 -0.55 8.53 8.60 2bp5M1 ASN 310 HA -0.20 0.09 0.66 -0.75 4.76 4.56 2bp5M1 ASN 310 HB2 -0.06 -0.02 -0.14 -0.04 2.88 2.62 2bp5M1 ASN 310 HB3 -0.02 0.16 0.01 -0.04 2.79 2.90 2bp5M1 ASN 310 HD21 0.02 -0.08 -0.04 -0.04 7.03 6.89 2bp5M1 ASN 310 HD22 0.05 0.32 -0.10 -0.04 7.74 7.98 2bp5M1 PHE 311 H -0.53 0.20 0.09 -0.55 8.34 7.54 2bp5M1 PHE 311 HA -0.21 0.09 0.38 -0.75 4.62 4.12 2bp5M1 PHE 311 HB2 -0.35 -0.09 0.06 -0.04 3.15 2.74 2bp5M1 PHE 311 HB3 -0.27 0.19 0.02 -0.04 3.06 2.96 2bp5M1 PHE 311 HD2 -0.10 0.12 -0.29 -0.04 7.28 6.96 2bp5M1 PHE 311 HE2 -0.52 0.14 -0.16 -0.04 7.38 6.81 2bp5M1 PHE 311 HZ -0.18 0.04 -0.15 -0.04 7.32 6.99 2bp5M1 LYS 312 H -0.04 0.12 0.10 -0.55 8.42 8.05 2bp5M1 LYS 312 HA -0.05 0.11 0.32 -0.75 4.32 3.95 2bp5M1 LYS 312 HB2 0.01 -0.04 0.12 -0.04 1.87 1.92 2bp5M1 LYS 312 HB3 -0.01 -0.04 0.08 -0.04 1.79 1.78 2bp5M1 LYS 312 HG2 -0.06 0.05 0.06 -0.04 1.46 1.47 2bp5M1 LYS 312 HG3 -0.10 -0.01 0.11 -0.04 1.46 1.42 2bp5M1 LYS 312 HD2 -0.04 -0.01 0.02 -0.04 1.69 1.62 2bp5M1 LYS 312 HD3 -0.03 0.01 0.02 -0.04 1.68 1.63 2bp5M1 LYS 312 HE2 -0.10 0.01 0.01 -0.04 2.99 2.88 2bp5M1 LYS 312 HE3 -0.11 0.02 0.01 -0.04 2.99 2.87 2bp5M1 PRO 313 HA -0.07 0.20 0.52 -0.51 4.44 4.58 2bp5M1 PRO 313 HB2 -0.02 -0.03 -0.06 -0.04 2.28 2.13 2bp5M1 PRO 313 HB3 -0.04 0.08 0.09 -0.04 2.02 2.12 2bp5M1 PRO 313 HG2 -0.04 -0.00 0.06 -0.04 2.03 2.01 2bp5M1 PRO 313 HG3 -0.07 0.15 0.05 -0.04 2.03 2.12 2bp5M1 PRO 313 HD2 -0.04 0.03 0.20 -0.04 3.68 3.84 2bp5M1 PRO 313 HD3 -0.08 0.18 0.13 -0.04 3.65 3.84 2bp5M1 SER 314 H 0.02 0.00 -0.40 -0.55 8.46 7.54 2bp5M1 SER 314 HA 0.03 0.13 0.55 -0.75 4.49 4.45 2bp5M1 SER 314 HB2 0.04 0.02 -0.05 -0.04 3.95 3.92 2bp5M1 SER 314 HB3 0.02 0.01 0.06 -0.04 3.93 3.98 2bp5M1 LEU 315 H 0.11 0.25 -0.22 -0.55 8.37 7.97 2bp5M1 LEU 315 HA 0.11 0.08 0.74 -0.75 4.35 4.54 2bp5M1 LEU 315 HB2 0.35 0.09 0.05 -0.04 1.64 2.10 2bp5M1 LEU 315 HB3 0.18 0.04 -0.04 -0.04 1.64 1.78 2bp5M1 LEU 315 HG 0.08 -0.15 -0.04 -0.04 1.64 1.49 2bp5M1 LEU 315 HD13 0.06 -0.01 -0.04 -0.04 0.93 0.89 2bp5M1 LEU 315 HD23 0.09 0.04 -0.06 -0.04 0.89 0.91 2bp5M1 LEU 316 H 0.11 0.17 0.14 -0.55 8.37 8.24 2bp5M1 LEU 316 HA 0.20 0.19 0.77 -0.75 4.35 4.77 2bp5M1 LEU 316 HB2 0.07 -0.04 0.06 -0.04 1.64 1.69 2bp5M1 LEU 316 HB3 0.08 0.07 -0.10 -0.04 1.64 1.65 2bp5M1 LEU 316 HG 0.07 0.04 -0.07 -0.04 1.64 1.63 2bp5M1 LEU 316 HD13 0.05 -0.02 -0.06 -0.04 0.93 0.86 2bp5M1 LEU 316 HD23 0.07 -0.00 -0.20 -0.04 0.89 0.72 2bp5M1 ALA 317 H 0.27 0.67 0.26 -0.55 8.40 9.06 2bp5M1 ALA 317 HA 0.00 0.21 0.94 -0.75 4.34 4.74 2bp5M1 ALA 317 HB3 0.27 -0.02 0.04 -0.04 1.41 1.67 2bp5M1 GLN 318 H 0.04 0.54 0.33 -0.55 8.47 8.83 2bp5M1 GLN 318 HA 0.03 0.09 0.43 -0.75 4.36 4.16 2bp5M1 GLN 318 HB2 0.01 0.12 0.36 -0.04 2.15 2.59 2bp5M1 GLN 318 HB3 0.03 -0.01 0.03 -0.04 2.02 2.03 2bp5M1 GLN 318 HG2 0.01 0.01 -0.00 -0.04 2.40 2.37 2bp5M1 GLN 318 HG3 -0.00 -0.02 -0.07 -0.04 2.39 2.25 2bp5M1 GLN 318 HE21 0.00 -0.02 -0.03 -0.04 6.97 6.88 2bp5M1 GLN 318 HE22 -0.01 -0.01 -0.04 -0.04 7.69 7.59 2bp5M1 LYS 319 H -0.01 0.42 0.26 -0.55 8.42 8.53 2bp5M1 LYS 319 HA -0.04 0.03 0.34 -0.75 4.32 3.90 2bp5M1 LYS 319 HB2 -0.04 0.14 0.09 -0.04 1.87 2.02 2bp5M1 LYS 319 HB3 -0.05 -0.02 0.14 -0.04 1.79 1.82 2bp5M1 LYS 319 HG2 -0.03 -0.00 0.00 -0.04 1.46 1.39 2bp5M1 LYS 319 HG3 -0.02 -0.03 -0.09 -0.04 1.46 1.28 2bp5M1 LYS 319 HD2 -0.04 0.02 -0.11 -0.04 1.69 1.52 2bp5M1 LYS 319 HD3 -0.05 0.00 -0.04 -0.04 1.68 1.55 2bp5M1 LYS 319 HE2 -0.03 -0.01 -0.04 -0.04 2.99 2.87 2bp5M1 LYS 319 HE3 -0.02 -0.00 -0.05 -0.04 2.99 2.87 2bp5M1 ILE 320 H -0.09 0.47 0.07 -0.55 8.25 8.15 2bp5M1 ILE 320 HA -0.14 0.51 0.72 -0.75 4.18 4.52 2bp5M1 ILE 320 HB -0.24 -0.11 0.03 -0.04 1.89 1.53 2bp5M1 ILE 320 HG12 -0.19 0.04 -0.18 -0.04 1.49 1.12 2bp5M1 ILE 320 HG13 -0.03 -0.08 -0.55 -0.04 1.21 0.50 2bp5M1 ILE 320 HG23 -0.48 0.00 -0.20 -0.04 0.93 0.21 2bp5M1 ILE 320 HD13 0.03 -0.01 -0.36 -0.04 0.88 0.50 2bp5M1 GLU 321 H -0.14 0.55 0.43 -0.55 8.60 8.89 2bp5M1 GLU 321 HA -0.13 0.41 1.03 -0.75 4.29 4.85 2bp5M1 GLU 321 HB2 -0.08 -0.07 0.16 -0.04 2.09 2.06 2bp5M1 GLU 321 HB3 -0.03 0.01 -0.23 -0.04 1.99 1.70 2bp5M1 GLU 321 HG2 -0.02 0.05 -0.04 -0.04 2.34 2.28 2bp5M1 GLU 321 HG3 -0.05 -0.02 -0.16 -0.04 2.34 2.07 2bp5M1 VAL 322 H -0.03 0.53 0.30 -0.55 8.24 8.49 2bp5M1 VAL 322 HA 0.02 0.32 1.11 -0.75 4.13 4.83 2bp5M1 VAL 322 HB 0.37 -0.08 0.03 -0.04 2.12 2.40 2bp5M1 VAL 322 HG13 0.20 0.01 -0.21 -0.04 0.97 0.93 2bp5M1 VAL 322 HG23 -0.18 -0.01 -0.23 -0.04 0.95 0.50 2bp5M1 ARG 323 H 0.08 0.70 0.29 -0.55 8.46 8.98 2bp5M1 ARG 323 HA 0.11 0.25 1.07 -0.75 4.34 5.02 2bp5M1 ARG 323 HB2 0.05 -0.05 -0.15 -0.04 1.90 1.70 2bp5M1 ARG 323 HB3 0.06 -0.03 0.19 -0.04 1.80 1.98 2bp5M1 ARG 323 HG2 0.08 0.05 -0.28 -0.04 1.67 1.48 2bp5M1 ARG 323 HG3 0.07 -0.02 -0.11 -0.04 1.67 1.57 2bp5M1 ARG 323 HD2 0.03 -0.03 -0.11 -0.04 3.22 3.06 2bp5M1 ARG 323 HD3 0.04 0.01 -0.08 -0.04 3.22 3.15 2bp5M1 ILE 324 H 0.13 0.85 0.29 -0.55 8.25 8.97 2bp5M1 ILE 324 HA 0.13 0.26 1.07 -0.75 4.18 4.89 2bp5M1 ILE 324 HB 0.11 -0.14 0.11 -0.04 1.89 1.93 2bp5M1 ILE 324 HG12 0.13 0.04 -0.18 -0.04 1.49 1.44 2bp5M1 ILE 324 HG13 0.16 -0.06 -0.40 -0.04 1.21 0.87 2bp5M1 ILE 324 HG23 0.13 0.03 -0.24 -0.04 0.93 0.81 2bp5M1 ILE 324 HD13 0.09 -0.02 -0.19 -0.04 0.88 0.71 2bp5M1 PRO 325 HA 0.19 0.19 0.63 -0.51 4.44 4.93 2bp5M1 PRO 325 HB2 0.38 -0.04 -0.07 -0.04 2.28 2.51 2bp5M1 PRO 325 HB3 0.21 0.05 0.06 -0.04 2.02 2.30 2bp5M1 PRO 325 HG2 0.09 0.15 -0.24 -0.04 2.03 1.98 2bp5M1 PRO 325 HG3 0.11 -0.01 -0.03 -0.04 2.03 2.05 2bp5M1 PRO 325 HD2 0.16 0.05 0.05 -0.04 3.68 3.90 2bp5M1 PRO 325 HD3 0.12 0.24 0.29 -0.04 3.65 4.26 2bp5M1 THR 326 H 0.18 0.77 0.22 -0.55 8.28 8.89 2bp5M1 THR 326 HA -0.14 0.13 0.75 -0.75 4.39 4.38 2bp5M1 THR 326 HB -0.17 0.01 -0.13 -0.04 4.32 3.98 2bp5M1 THR 326 HG23 -0.01 -0.01 -0.26 -0.04 1.22 0.90 2bp5M1 PRO 327 HA -0.77 0.06 0.17 -0.51 4.44 3.39 2bp5M1 PRO 327 HB2 -0.53 -0.04 -0.20 -0.04 2.28 1.47 2bp5M1 PRO 327 HB3 -1.24 0.00 -0.01 -0.04 2.02 0.73 2bp5M1 PRO 327 HG2 -0.67 0.05 -0.08 -0.04 2.03 1.29 2bp5M1 PRO 327 HG3 -2.04 0.06 -0.02 -0.04 2.03 -0.01 2bp5M1 PRO 327 HD2 -0.46 0.07 -0.02 -0.04 3.68 3.23 2bp5M1 PRO 327 HD3 -0.77 0.16 0.13 -0.04 3.65 3.13 2bp5M1 LEU 328 H -0.11 0.10 0.11 -0.55 8.37 7.93 2bp5M1 LEU 328 HA -0.01 0.14 0.39 -0.75 4.35 4.12 2bp5M1 LEU 328 HB2 -0.00 -0.06 0.09 -0.04 1.64 1.62 2bp5M1 LEU 328 HB3 0.01 0.01 0.01 -0.04 1.64 1.62 2bp5M1 LEU 328 HG 0.08 0.03 0.09 -0.04 1.64 1.80 2bp5M1 LEU 328 HD13 0.08 -0.01 0.02 -0.04 0.93 0.98 2bp5M1 LEU 328 HD23 0.04 0.02 0.03 -0.04 0.89 0.94 2bp5M1 ASN 329 H -0.13 0.03 -0.32 -0.55 8.53 7.57 2bp5M1 ASN 329 HA -0.05 0.16 0.66 -0.75 4.76 4.79 2bp5M1 ASN 329 HB2 -0.06 0.06 0.03 -0.04 2.88 2.88 2bp5M1 ASN 329 HB3 -0.05 -0.05 -0.03 -0.04 2.79 2.63 2bp5M1 ASN 329 HD21 -0.09 -0.03 -0.05 -0.04 7.03 6.81 2bp5M1 ASN 329 HD22 -0.06 0.45 -0.02 -0.04 7.74 8.07 2bp5M1 THR 330 H -0.05 0.41 -0.36 -0.55 8.28 7.73 2bp5M1 THR 330 HA -0.13 0.18 0.76 -0.75 4.39 4.45 2bp5M1 THR 330 HB 0.00 0.02 0.02 -0.04 4.32 4.32 2bp5M1 THR 330 HG23 -0.30 -0.04 -0.23 -0.04 1.22 0.61 2bp5M1 SER 331 H -0.07 0.54 0.32 -0.55 8.46 8.70 2bp5M1 SER 331 HA -0.01 0.06 0.52 -0.75 4.49 4.30 2bp5M1 SER 331 HB2 -0.02 -0.04 0.01 -0.04 3.95 3.85 2bp5M1 SER 331 HB3 -0.04 0.02 -0.13 -0.04 3.93 3.75 2bp5M1 GLY 332 H -0.11 0.39 0.19 -0.55 8.43 8.36 2bp5M1 GLY 332 HA2 -0.05 0.08 0.32 -0.51 4.01 3.86 2bp5M1 GLY 332 HA3 -0.05 0.04 0.36 -0.51 4.01 3.85 2bp5M1 VAL 333 H -0.12 0.24 0.18 -0.55 8.24 7.98 2bp5M1 VAL 333 HA -0.20 0.33 1.12 -0.75 4.13 4.62 2bp5M1 VAL 333 HB -0.36 -0.07 0.04 -0.04 2.12 1.68 2bp5M1 VAL 333 HG13 -0.15 -0.01 -0.32 -0.04 0.97 0.45 2bp5M1 VAL 333 HG23 -0.85 -0.01 -0.31 -0.04 0.95 -0.26 2bp5M1 GLN 334 H -0.10 0.65 0.38 -0.55 8.47 8.86 2bp5M1 GLN 334 HA -0.05 0.18 1.00 -0.75 4.36 4.74 2bp5M1 GLN 334 HB2 -0.06 -0.09 0.18 -0.04 2.15 2.14 2bp5M1 GLN 334 HB3 -0.05 0.04 0.04 -0.04 2.02 2.01 2bp5M1 GLN 334 HG2 -0.05 0.01 -0.00 -0.04 2.40 2.31 2bp5M1 GLN 334 HG3 -0.04 -0.00 0.00 -0.04 2.39 2.31 2bp5M1 GLN 334 HE21 -0.03 0.02 -0.11 -0.04 6.97 6.81 2bp5M1 GLN 334 HE22 -0.05 -0.02 -0.21 -0.04 7.69 7.37 2bp5M1 VAL 335 H -0.05 0.21 0.15 -0.55 8.24 8.00 2bp5M1 VAL 335 HA -0.09 0.28 1.05 -0.75 4.13 4.62 2bp5M1 VAL 335 HB -0.15 0.15 0.04 -0.04 2.12 2.12 2bp5M1 VAL 335 HG13 -0.06 -0.01 -0.28 -0.04 0.97 0.58 2bp5M1 VAL 335 HG23 -0.07 -0.03 -0.18 -0.04 0.95 0.62 2bp5M1 ILE 336 H -0.11 0.53 0.27 -0.55 8.25 8.39 2bp5M1 ILE 336 HA -0.08 0.20 0.92 -0.75 4.18 4.47 2bp5M1 ILE 336 HB -0.08 -0.04 0.11 -0.04 1.89 1.85 2bp5M1 ILE 336 HG12 -0.04 0.05 0.08 -0.04 1.49 1.54 2bp5M1 ILE 336 HG13 -0.05 -0.02 -0.26 -0.04 1.21 0.84 2bp5M1 ILE 336 HG23 -0.06 -0.01 -0.21 -0.04 0.93 0.61 2bp5M1 ILE 336 HD13 -0.03 -0.01 -0.04 -0.04 0.88 0.75 2bp5M1 CYS 337 H -0.09 0.28 0.11 -0.55 8.50 8.26 2bp5M1 CYS 337 HA -0.15 0.09 0.50 -0.75 4.58 4.27 2bp5M1 CYS 337 HB2 -0.22 0.07 0.05 -0.04 2.97 2.82 2bp5M1 CYS 337 HB3 -0.63 -0.00 0.07 -0.04 2.97 2.36 2bp5M1 MET 338 H 0.01 0.19 0.21 -0.55 8.47 8.33 2bp5M1 MET 338 HA 0.03 0.08 0.44 -0.75 4.52 4.33 2bp5M1 MET 338 HB2 0.06 -0.02 0.18 -0.04 2.15 2.34 2bp5M1 MET 338 HB3 0.05 0.01 0.08 -0.04 2.03 2.12 2bp5M1 MET 338 HG2 0.01 -0.02 0.06 -0.04 2.63 2.64 2bp5M1 MET 338 HG3 0.02 0.01 0.05 -0.04 2.56 2.60 2bp5M1 MET 338 HE3 0.02 0.00 0.05 -0.04 2.10 2.13 2bp5M1 LYS 339 H 0.21 0.08 0.06 -0.55 8.42 8.20 2bp5M1 LYS 339 HA 0.13 0.14 0.92 -0.75 4.32 4.76 2bp5M1 LYS 339 HB2 0.29 -0.06 0.14 -0.04 1.87 2.19 2bp5M1 LYS 339 HB3 0.16 0.01 -0.05 -0.04 1.79 1.87 2bp5M1 LYS 339 HG2 0.09 0.02 0.04 -0.04 1.46 1.57 2bp5M1 LYS 339 HG3 0.09 0.04 0.05 -0.04 1.46 1.60 2bp5M1 LYS 339 HD2 0.10 -0.06 -0.07 -0.04 1.69 1.62 2bp5M1 LYS 339 HD3 0.14 -0.04 0.10 -0.04 1.68 1.84 2bp5M1 LYS 339 HE2 0.06 0.00 0.03 -0.04 2.99 3.04 2bp5M1 LYS 339 HE3 0.06 -0.00 0.06 -0.04 2.99 3.06 2bp5M1 GLY 340 H 0.13 0.09 0.19 -0.55 8.43 8.30 2bp5M1 GLY 340 HA2 0.11 -0.08 0.44 -0.51 4.01 3.96 2bp5M1 GLY 340 HA3 0.28 0.16 0.37 -0.51 4.01 4.31 2bp5M1 LYS 341 H 0.21 0.57 0.41 -0.55 8.42 9.05 2bp5M1 LYS 341 HA 0.12 0.15 0.70 -0.75 4.32 4.53 2bp5M1 LYS 341 HB2 0.09 -0.04 0.08 -0.04 1.87 1.97 2bp5M1 LYS 341 HB3 0.07 0.01 0.09 -0.04 1.79 1.92 2bp5M1 ALA 342 H 0.07 0.25 0.17 -0.55 8.40 8.35 2bp5M1 ALA 342 HA 0.18 0.38 1.07 -0.75 4.34 5.22 2bp5M1 ALA 342 HB3 -0.03 -0.01 -0.13 -0.04 1.41 1.20 2bp5M1 LYS 343 H 0.10 0.62 0.31 -0.55 8.42 8.89 2bp5M1 LYS 343 HA 0.06 0.15 0.96 -0.75 4.32 4.74 2bp5M1 LYS 343 HB2 0.04 -0.03 -0.02 -0.04 1.87 1.83 2bp5M1 LYS 343 HB3 0.04 0.10 -0.00 -0.04 1.79 1.88 2bp5M1 LYS 343 HG2 0.04 0.03 -0.02 -0.04 1.46 1.46 2bp5M1 LYS 343 HG3 0.05 -0.08 -0.39 -0.04 1.46 1.00 2bp5M1 LYS 343 HD2 0.02 -0.00 -0.07 -0.04 1.69 1.60 2bp5M1 LYS 343 HD3 0.02 -0.00 -0.03 -0.04 1.68 1.62 2bp5M1 LYS 343 HE2 0.03 -0.00 -0.09 -0.04 2.99 2.89 2bp5M1 LYS 343 HE3 0.04 0.01 -0.10 -0.04 2.99 2.89 2bp5M1 TYR 344 H 0.16 0.15 0.15 -0.55 8.29 8.20 2bp5M1 TYR 344 HA 0.01 0.15 0.81 -0.75 4.56 4.78 2bp5M1 TYR 344 HB2 -0.01 0.01 0.06 -0.04 3.06 3.08 2bp5M1 TYR 344 HB3 -0.01 -0.01 0.15 -0.04 2.98 3.07 2bp5M1 TYR 344 HD2 -0.01 0.03 -0.15 -0.04 7.15 6.98 2bp5M1 TYR 344 HE2 -0.02 0.06 -0.26 -0.04 6.85 6.59 2bp5M1 LYS 345 H -0.15 0.76 0.17 -0.55 8.42 8.65 2bp5M1 LYS 345 HA -0.24 0.12 0.90 -0.75 4.32 4.34 2bp5M1 LYS 345 HB2 -0.07 0.17 0.15 -0.04 1.87 2.08 2bp5M1 LYS 345 HB3 -0.10 -0.12 0.05 -0.04 1.79 1.58 2bp5M1 LYS 345 HG2 -0.06 0.07 -0.15 -0.04 1.46 1.28 2bp5M1 LYS 345 HG3 -0.01 0.07 -0.23 -0.04 1.46 1.25 2bp5M1 LYS 345 HD2 -0.01 0.03 -0.08 -0.04 1.69 1.60 2bp5M1 LYS 345 HD3 -0.04 -0.05 -0.04 -0.04 1.68 1.51 2bp5M1 LYS 345 HE2 -0.03 -0.02 -0.03 -0.04 2.99 2.87 2bp5M1 LYS 345 HE3 -0.01 0.01 -0.07 -0.04 2.99 2.88 2bp5M1 ALA 346 H -0.45 0.22 0.02 -0.55 8.40 7.65 2bp5M1 ALA 346 HA -0.63 0.10 0.19 -0.75 4.34 3.24 2bp5M1 ALA 346 HB3 -0.20 0.03 0.06 -0.04 1.41 1.26 2bp5M1 SER 347 H -0.14 0.04 -0.08 -0.55 8.46 7.73 2bp5M1 SER 347 HA -0.05 0.10 0.41 -0.75 4.49 4.20 2bp5M1 SER 347 HB2 -0.04 0.04 0.08 -0.04 3.95 3.99 2bp5M1 SER 347 HB3 -0.06 -0.04 0.10 -0.04 3.93 3.89 2bp5M1 GLU 348 H -0.10 0.11 -0.42 -0.55 8.60 7.64 2bp5M1 GLU 348 HA -0.01 0.19 0.77 -0.75 4.29 4.49 2bp5M1 GLU 348 HB2 -0.02 0.02 -0.02 -0.04 2.09 2.02 2bp5M1 GLU 348 HB3 0.01 0.02 0.06 -0.04 1.99 2.04 2bp5M1 GLU 348 HG2 -0.01 0.03 -0.09 -0.04 2.34 2.23 2bp5M1 GLU 348 HG3 -0.03 -0.13 -0.18 -0.04 2.34 1.96 2bp5M1 ASN 349 H -0.06 0.30 -0.22 -0.55 8.53 8.00 2bp5M1 ASN 349 HA 0.11 -0.05 0.25 -0.75 4.76 4.33 2bp5M1 ASN 349 HB2 0.09 0.06 -0.00 -0.04 2.88 2.99 2bp5M1 ASN 349 HB3 0.10 0.25 0.18 -0.04 2.79 3.27 2bp5M1 ASN 349 HD21 0.03 -0.03 -0.04 -0.04 7.03 6.95 2bp5M1 ASN 349 HD22 0.06 -0.02 -0.12 -0.04 7.74 7.62 2bp5M1 ALA 350 H 0.04 0.27 -0.15 -0.55 8.40 8.01 2bp5M1 ALA 350 HA 0.16 0.23 0.75 -0.75 4.34 4.73 2bp5M1 ALA 350 HB3 0.08 0.02 -0.25 -0.04 1.41 1.22 2bp5M1 ILE 351 H 0.16 0.74 0.22 -0.55 8.25 8.81 2bp5M1 ILE 351 HA 0.19 0.16 0.92 -0.75 4.18 4.70 2bp5M1 ILE 351 HB 0.10 0.01 0.07 -0.04 1.89 2.03 2bp5M1 ILE 351 HG12 0.07 -0.06 -0.13 -0.04 1.49 1.33 2bp5M1 ILE 351 HG13 0.13 -0.03 -0.14 -0.04 1.21 1.12 2bp5M1 ILE 351 HG23 0.06 -0.01 -0.33 -0.04 0.93 0.62 2bp5M1 ILE 351 HD13 -0.04 0.01 -0.17 -0.04 0.88 0.64 2bp5M1 VAL 352 H 0.12 0.65 0.26 -0.55 8.24 8.72 2bp5M1 VAL 352 HA 0.13 0.30 1.08 -0.75 4.13 4.88 2bp5M1 VAL 352 HB 0.07 -0.06 0.10 -0.04 2.12 2.19 2bp5M1 VAL 352 HG13 0.06 -0.00 -0.26 -0.04 0.97 0.72 2bp5M1 VAL 352 HG23 0.05 0.00 -0.23 -0.04 0.95 0.73 2bp5M1 TRP 353 H 0.24 0.64 0.33 -0.55 7.97 8.64 2bp5M1 TRP 353 HA 0.01 0.25 0.99 -0.75 4.62 5.12 2bp5M1 TRP 353 HB2 0.02 -0.04 -0.14 -0.04 3.23 3.03 2bp5M1 TRP 353 HB3 0.01 -0.02 0.13 -0.04 3.23 3.31 2bp5M1 TRP 353 HD1 0.01 0.13 -0.15 -0.04 7.22 7.18 2bp5M1 TRP 353 HE1 0.01 0.59 -0.01 -0.04 10.20 10.75 2bp5M1 TRP 353 HE3 0.01 -0.00 -0.15 -0.04 7.59 7.41 2bp5M1 TRP 353 HZ2 0.02 -0.05 -0.16 -0.04 7.44 7.20 2bp5M1 TRP 353 HZ3 0.02 0.03 -0.24 -0.04 7.13 6.91 2bp5M1 TRP 353 HH2 0.02 -0.04 -0.47 -0.04 7.19 6.66 2bp5M1 LYS 354 H 0.23 0.74 0.43 -0.55 8.42 9.26 2bp5M1 LYS 354 HA -0.15 0.47 1.16 -0.75 4.32 5.05 2bp5M1 LYS 354 HB2 0.03 -0.09 0.06 -0.04 1.87 1.83 2bp5M1 LYS 354 HB3 -0.03 0.01 -0.02 -0.04 1.79 1.71 2bp5M1 LYS 354 HG2 -0.00 0.08 -0.17 -0.04 1.46 1.33 2bp5M1 LYS 354 HG3 0.06 -0.02 -0.28 -0.04 1.46 1.18 2bp5M1 LYS 354 HD2 0.02 -0.04 -0.09 -0.04 1.69 1.54 2bp5M1 LYS 354 HD3 -0.01 0.00 -0.10 -0.04 1.68 1.53 2bp5M1 LYS 354 HE2 -0.00 0.03 -0.12 -0.04 2.99 2.85 2bp5M1 LYS 354 HE3 0.02 -0.01 -0.15 -0.04 2.99 2.81 2bp5M1 ILE 355 H -0.19 0.73 0.27 -0.55 8.25 8.52 2bp5M1 ILE 355 HA -0.06 0.03 0.79 -0.75 4.18 4.19 2bp5M1 ILE 355 HB -0.28 0.01 -0.03 -0.04 1.89 1.56 2bp5M1 ILE 355 HG12 -0.17 0.00 -0.31 -0.04 1.49 0.97 2bp5M1 ILE 355 HG13 -0.60 -0.04 -0.80 -0.04 1.21 -0.27 2bp5M1 ILE 355 HG23 -0.07 -0.03 -0.20 -0.04 0.93 0.60 2bp5M1 ILE 355 HD13 -1.07 0.01 -0.25 -0.04 0.88 -0.47 2bp5M1 LYS 356 H -0.01 0.15 0.19 -0.55 8.42 8.19 2bp5M1 LYS 356 HA -0.02 0.05 0.31 -0.75 4.32 3.91 2bp5M1 LYS 356 HB2 0.01 0.02 0.13 -0.04 1.87 1.99 2bp5M1 LYS 356 HB3 0.00 0.02 0.06 -0.04 1.79 1.83 2bp5M1 LYS 356 HG2 0.00 -0.04 0.02 -0.04 1.46 1.40 2bp5M1 LYS 356 HG3 0.01 0.03 0.07 -0.04 1.46 1.53 2bp5M1 LYS 356 HD2 0.00 0.02 0.01 -0.04 1.69 1.68 2bp5M1 LYS 356 HD3 -0.00 -0.00 0.01 -0.04 1.68 1.65 2bp5M1 LYS 356 HE2 0.01 0.01 -0.01 -0.04 2.99 2.95 2bp5M1 LYS 356 HE3 0.01 0.00 -0.03 -0.04 2.99 2.93 2bp5M1 ARG 357 H 0.00 0.16 0.09 -0.55 8.46 8.16 2bp5M1 ARG 357 HA 0.04 0.30 0.84 -0.75 4.34 4.77 2bp5M1 ARG 357 HB2 0.05 0.07 0.05 -0.04 1.90 2.03 2bp5M1 ARG 357 HB3 0.02 0.02 -0.19 -0.04 1.80 1.61 2bp5M1 ARG 357 HG2 0.02 -0.13 0.02 -0.04 1.67 1.55 2bp5M1 ARG 357 HG3 0.04 0.02 -0.21 -0.04 1.67 1.47 2bp5M1 ARG 357 HD2 0.02 -0.02 -0.04 -0.04 3.22 3.15 2bp5M1 ARG 357 HD3 0.03 0.04 -0.06 -0.04 3.22 3.18 2bp5M1 MET 358 H 0.11 0.73 0.26 -0.55 8.47 9.03 2bp5M1 MET 358 HA 0.06 0.03 0.53 -0.75 4.52 4.39 2bp5M1 MET 358 HB2 0.05 0.05 -0.11 -0.04 2.15 2.10 2bp5M1 MET 358 HB3 0.16 -0.03 -0.13 -0.04 2.03 1.99 2bp5M1 MET 358 HG2 0.08 0.20 -0.39 -0.04 2.63 2.48 2bp5M1 MET 358 HG3 0.05 -0.04 -0.01 -0.04 2.56 2.52 2bp5M1 MET 358 HE3 0.02 -0.01 -0.14 -0.04 2.10 1.93 2bp5M1 ALA 359 H 0.04 0.09 0.12 -0.55 8.40 8.10 2bp5M1 ALA 359 HA 0.12 0.20 0.60 -0.75 4.34 4.51 2bp5M1 ALA 359 HB3 0.01 0.03 0.08 -0.04 1.41 1.49 2bp5M1 GLY 360 H -0.02 0.41 0.20 -0.55 8.43 8.47 2bp5M1 GLY 360 HA2 -1.49 -0.12 0.19 -0.51 4.01 2.07 2bp5M1 GLY 360 HA3 -0.52 0.26 -0.07 -0.51 4.01 3.17 2bp5M1 MET 361 H -0.57 0.20 0.17 -0.55 8.47 7.72 2bp5M1 MET 361 HA -0.20 0.11 0.49 -0.75 4.52 4.16 2bp5M1 MET 361 HB2 -0.13 0.13 0.06 -0.04 2.15 2.17 2bp5M1 MET 361 HB3 -0.10 -0.07 0.21 -0.04 2.03 2.03 2bp5M1 MET 361 HG2 -0.18 0.17 -0.18 -0.04 2.63 2.40 2bp5M1 MET 361 HG3 -0.10 -0.08 -0.03 -0.04 2.56 2.31 2bp5M1 MET 361 HE3 -0.08 -0.00 0.01 -0.04 2.10 1.99 2bp5M1 LYS 362 H -0.19 0.04 0.12 -0.55 8.42 7.83 2bp5M1 LYS 362 HA -0.04 0.16 0.83 -0.75 4.32 4.52 2bp5M1 LYS 362 HB2 -0.05 0.08 -0.00 -0.04 1.87 1.85 2bp5M1 LYS 362 HB3 -0.01 -0.09 0.15 -0.04 1.79 1.80 2bp5M1 LYS 362 HG2 -0.05 0.16 -0.11 -0.04 1.46 1.42 2bp5M1 LYS 362 HG3 -0.08 0.23 -0.43 -0.04 1.46 1.14 2bp5M1 LYS 362 HD2 -0.01 -0.13 0.01 -0.04 1.69 1.52 2bp5M1 LYS 362 HD3 0.00 -0.04 0.05 -0.04 1.68 1.64 2bp5M1 LYS 362 HE2 -0.02 0.02 0.03 -0.04 2.99 2.98 2bp5M1 LYS 362 HE3 -0.02 0.06 -0.02 -0.04 2.99 2.97 2bp5M1 GLU 363 H 0.02 0.25 0.23 -0.55 8.60 8.54 2bp5M1 GLU 363 HA 0.06 0.41 0.99 -0.75 4.29 4.99 2bp5M1 GLU 363 HB2 0.03 -0.06 0.09 -0.04 2.09 2.11 2bp5M1 GLU 363 HB3 0.06 -0.01 -0.06 -0.04 1.99 1.94 2bp5M1 GLU 363 HG2 0.03 0.09 0.03 -0.04 2.34 2.45 2bp5M1 GLU 363 HG3 0.01 -0.02 -0.27 -0.04 2.34 2.02 2bp5M1 SER 364 H 0.14 0.63 0.38 -0.55 8.46 9.06 2bp5M1 SER 364 HA 0.16 0.12 0.72 -0.75 4.49 4.73 2bp5M1 SER 364 HB2 0.18 -0.01 0.02 -0.04 3.95 4.11 2bp5M1 SER 364 HB3 0.40 -0.01 0.11 -0.04 3.93 4.39 2bp5M1 GLN 365 H 0.18 0.16 0.25 -0.55 8.47 8.51 2bp5M1 GLN 365 HA 0.21 0.32 0.87 -0.75 4.36 5.01 2bp5M1 GLN 365 HB2 0.00 0.07 0.05 -0.04 2.15 2.23 2bp5M1 GLN 365 HB3 0.08 0.01 -0.06 -0.04 2.02 2.01 2bp5M1 GLN 365 HG2 0.04 -0.08 0.01 -0.04 2.40 2.33 2bp5M1 GLN 365 HG3 -0.02 -0.01 -0.18 -0.04 2.39 2.13 2bp5M1 GLN 365 HE21 0.02 0.01 -0.09 -0.04 6.97 6.88 2bp5M1 GLN 365 HE22 0.04 -0.02 -0.13 -0.04 7.69 7.54 2bp5M1 ILE 366 H -0.21 0.62 0.38 -0.55 8.25 8.49 2bp5M1 ILE 366 HA -0.49 0.23 0.98 -0.75 4.18 4.14 2bp5M1 ILE 366 HB -2.22 -0.01 -0.09 -0.04 1.89 -0.48 2bp5M1 ILE 366 HG12 -0.36 -0.03 -0.27 -0.04 1.49 0.78 2bp5M1 ILE 366 HG13 -0.50 0.17 -0.02 -0.04 1.21 0.81 2bp5M1 ILE 366 HG23 -0.39 0.01 -0.02 -0.04 0.93 0.48 2bp5M1 ILE 366 HD13 -0.71 -0.02 -0.20 -0.04 0.88 -0.09 2bp5M1 SER 367 H -0.20 0.65 0.40 -0.55 8.46 8.76 2bp5M1 SER 367 HA -0.10 0.33 0.95 -0.75 4.49 4.92 2bp5M1 SER 367 HB2 -0.08 -0.10 0.12 -0.04 3.95 3.85 2bp5M1 SER 367 HB3 -0.06 0.04 0.15 -0.04 3.93 4.02 2bp5M1 ALA 368 H -0.07 0.73 0.40 -0.55 8.40 8.92 2bp5M1 ALA 368 HA -0.09 0.29 0.98 -0.75 4.34 4.77 2bp5M1 ALA 368 HB3 -0.08 -0.01 -0.07 -0.04 1.41 1.21 2bp5M1 GLU 369 H -0.08 0.59 0.35 -0.55 8.60 8.92 2bp5M1 GLU 369 HA -0.06 0.26 1.02 -0.75 4.29 4.76 2bp5M1 GLU 369 HB2 -0.05 -0.02 0.09 -0.04 2.09 2.07 2bp5M1 GLU 369 HB3 -0.06 -0.09 0.21 -0.04 1.99 2.00 2bp5M1 GLU 369 HG2 -0.06 0.01 -0.20 -0.04 2.34 2.05 2bp5M1 GLU 369 HG3 -0.05 0.04 -0.00 -0.04 2.34 2.29 2bp5M1 ILE 370 H -0.09 0.75 0.34 -0.55 8.25 8.70 2bp5M1 ILE 370 HA -0.18 0.15 0.97 -0.75 4.18 4.36 2bp5M1 ILE 370 HB -0.13 -0.06 0.21 -0.04 1.89 1.86 2bp5M1 ILE 370 HG12 -0.21 0.00 -0.13 -0.04 1.49 1.11 2bp5M1 ILE 370 HG13 -0.12 -0.07 -0.28 -0.04 1.21 0.70 2bp5M1 ILE 370 HG23 -0.24 0.01 -0.20 -0.04 0.93 0.46 2bp5M1 ILE 370 HD13 -0.10 0.01 -0.11 -0.04 0.88 0.63 2bp5M1 GLU 371 H -0.16 0.82 0.42 -0.55 8.60 9.14 2bp5M1 GLU 371 HA -0.08 0.19 0.85 -0.75 4.29 4.49 2bp5M1 GLU 371 HB2 -0.09 -0.05 0.17 -0.04 2.09 2.08 2bp5M1 GLU 371 HB3 -0.06 0.04 0.04 -0.04 1.99 1.96 2bp5M1 GLU 371 HG2 -0.05 0.02 -0.07 -0.04 2.34 2.19 2bp5M1 GLU 371 HG3 -0.08 -0.05 -0.26 -0.04 2.34 1.91 2bp5M1 LEU 372 H -0.08 0.90 0.46 -0.55 8.37 9.11 2bp5M1 LEU 372 HA -0.11 0.17 0.90 -0.75 4.35 4.56 2bp5M1 LEU 372 HB2 -0.06 0.03 0.15 -0.04 1.64 1.71 2bp5M1 LEU 372 HB3 -0.08 0.14 0.05 -0.04 1.64 1.70 2bp5M1 LEU 372 HG -0.10 -0.04 -0.24 -0.04 1.64 1.21 2bp5M1 LEU 372 HD13 -0.06 -0.04 -0.39 -0.04 0.93 0.39 2bp5M1 LEU 372 HD23 -0.20 -0.02 -0.20 -0.04 0.89 0.44 2bp5M1 LEU 373 H -0.06 0.50 0.23 -0.55 8.37 8.49 2bp5M1 LEU 373 HA -0.03 0.05 0.75 -0.75 4.35 4.36 2bp5M1 LEU 373 HB2 -0.04 -0.03 0.01 -0.04 1.64 1.54 2bp5M1 LEU 373 HB3 -0.02 0.05 0.11 -0.04 1.64 1.74 2bp5M1 LEU 373 HG -0.04 -0.07 -0.17 -0.04 1.64 1.32 2bp5M1 LEU 373 HD13 -0.02 -0.01 -0.09 -0.04 0.93 0.77 2bp5M1 LEU 373 HD23 -0.02 -0.00 0.01 -0.04 0.89 0.84 2bp5M1 PRO 374 HA -0.02 0.17 0.63 -0.51 4.44 4.70 2bp5M1 PRO 374 HB2 -0.01 -0.02 -0.02 -0.04 2.28 2.20 2bp5M1 PRO 374 HB3 -0.01 0.02 0.11 -0.04 2.02 2.10 2bp5M1 PRO 374 HG2 -0.01 0.00 0.06 -0.04 2.03 2.04 2bp5M1 PRO 374 HG3 -0.01 0.03 0.08 -0.04 2.03 2.09 2bp5M1 PRO 374 HD2 -0.02 0.07 0.20 -0.04 3.68 3.88 2bp5M1 PRO 374 HD3 -0.02 0.12 0.23 -0.04 3.65 3.94 2bp5M1 THR 375 H -0.01 0.24 0.20 -0.55 8.28 8.16 2bp5M1 THR 375 HA -0.01 0.15 0.85 -0.75 4.39 4.63 2bp5M1 THR 375 HB -0.03 0.16 -0.46 -0.04 4.32 3.96 2bp5M1 THR 375 HG23 -0.01 -0.00 -0.26 -0.04 1.22 0.91 2bp5M1 ASN 376 H 0.01 0.17 0.09 -0.55 8.53 8.25 2bp5M1 ASN 376 HA 0.01 0.02 0.49 -0.75 4.76 4.52 2bp5M1 ASN 376 HB2 0.01 0.03 0.16 -0.04 2.88 3.04 2bp5M1 ASN 376 HB3 0.02 0.04 0.21 -0.04 2.79 3.01 2bp5M1 ASN 376 HD21 0.01 0.01 0.02 -0.04 7.03 7.03 2bp5M1 ASN 376 HD22 0.01 0.04 0.04 -0.04 7.74 7.79 2bp5M1 ASP 377 H 0.01 0.22 0.38 -0.55 8.40 8.46 2bp5M1 ASP 377 HA 0.01 0.08 0.29 -0.75 4.63 4.26 2bp5M1 ASP 377 HB2 0.01 -0.01 0.20 -0.04 2.71 2.86 2bp5M1 ASP 377 HB3 0.01 -0.03 0.00 -0.04 2.70 2.64 2bp5M1 LYS 378 H 0.01 -0.07 -0.36 -0.55 8.42 7.45 2bp5M1 LYS 378 HA 0.02 0.03 0.37 -0.75 4.32 3.97 2bp5M1 LYS 378 HB2 0.01 -0.06 0.09 -0.04 1.87 1.87 2bp5M1 LYS 378 HB3 0.02 0.02 0.02 -0.04 1.79 1.80 2bp5M1 LYS 378 HG2 0.01 0.03 0.02 -0.04 1.46 1.48 2bp5M1 LYS 378 HG3 0.01 -0.06 0.01 -0.04 1.46 1.38 2bp5M1 LYS 378 HD2 0.01 -0.02 0.01 -0.04 1.69 1.65 2bp5M1 LYS 378 HD3 0.01 0.01 0.00 -0.04 1.68 1.67 2bp5M1 LYS 378 HE2 0.01 0.01 -0.00 -0.04 2.99 2.96 2bp5M1 LYS 378 HE3 0.01 0.00 -0.01 -0.04 2.99 2.95 2bp5M1 LYS 379 H 0.03 0.02 0.00 -0.55 8.42 7.91 2bp5M1 LYS 379 HA 0.03 -0.04 0.38 -0.75 4.32 3.93 2bp5M1 LYS 379 HB2 0.05 0.03 0.02 -0.04 1.87 1.94 2bp5M1 LYS 379 HB3 0.04 0.00 0.08 -0.04 1.79 1.88 2bp5M1 LYS 379 HG2 0.02 -0.12 0.11 -0.04 1.46 1.44 2bp5M1 LYS 379 HG3 0.03 -0.01 0.09 -0.04 1.46 1.53 2bp5M1 LYS 379 HD2 0.03 0.00 0.03 -0.04 1.69 1.71 2bp5M1 LYS 379 HD3 0.03 0.03 0.03 -0.04 1.68 1.73 2bp5M1 LYS 379 HE2 0.02 -0.03 0.02 -0.04 2.99 2.95 2bp5M1 LYS 379 HE3 0.02 -0.02 0.03 -0.04 2.99 2.97 2bp5M1 LYS 380 H 0.05 0.02 0.19 -0.55 8.42 8.12 2bp5M1 LYS 380 HA 0.08 0.16 0.56 -0.75 4.32 4.37 2bp5M1 LYS 380 HB2 0.05 0.02 -0.10 -0.04 1.87 1.79 2bp5M1 LYS 380 HB3 0.06 -0.00 0.12 -0.04 1.79 1.93 2bp5M1 LYS 380 HG2 0.03 -0.05 0.15 -0.04 1.46 1.55 2bp5M1 LYS 380 HG3 0.02 -0.03 0.02 -0.04 1.46 1.44 2bp5M1 LYS 380 HD2 0.02 -0.04 0.04 -0.04 1.69 1.67 2bp5M1 LYS 380 HD3 0.03 -0.03 0.03 -0.04 1.68 1.67 2bp5M1 LYS 380 HE2 0.04 -0.00 -0.04 -0.04 2.99 2.95 2bp5M1 LYS 380 HE3 0.03 0.31 0.08 -0.04 2.99 3.37 2bp5M1 TRP 381 H 0.24 0.14 0.09 -0.55 7.97 7.89 2bp5M1 TRP 381 HA 0.01 0.08 0.56 -0.75 4.62 4.51 2bp5M1 TRP 381 HB2 0.00 0.02 0.03 -0.04 3.23 3.25 2bp5M1 TRP 381 HB3 0.00 0.00 0.12 -0.04 3.23 3.31 2bp5M1 TRP 381 HD1 0.01 -0.04 -0.06 -0.04 7.22 7.10 2bp5M1 TRP 381 HE1 0.02 0.10 -0.25 -0.04 10.20 10.03 2bp5M1 TRP 381 HE3 0.00 -0.03 -0.05 -0.04 7.59 7.48 2bp5M1 TRP 381 HZ2 0.02 0.08 -0.50 -0.04 7.44 7.00 2bp5M1 TRP 381 HZ3 0.00 -0.03 -0.07 -0.04 7.13 7.00 2bp5M1 TRP 381 HH2 0.01 0.27 -0.06 -0.04 7.19 7.37 2bp5M1 ALA 382 H 0.12 0.19 0.12 -0.55 8.40 8.29 2bp5M1 ALA 382 HA -0.17 0.06 0.48 -0.75 4.34 3.96 2bp5M1 ALA 382 HB3 -0.02 0.01 0.12 -0.04 1.41 1.47 2bp5M1 ARG 383 H -0.57 0.29 0.08 -0.55 8.46 7.71 2bp5M1 ARG 383 HA -1.88 0.03 -0.01 -0.75 4.34 1.73 2bp5M1 ARG 383 HB2 -0.45 -0.06 0.19 -0.04 1.90 1.53 2bp5M1 ARG 383 HB3 -0.62 0.04 0.06 -0.04 1.80 1.24 2bp5M1 ARG 383 HG2 -1.71 -0.02 -0.04 -0.04 1.67 -0.14 2bp5M1 ARG 383 HG3 -0.45 0.08 0.09 -0.04 1.67 1.35 2bp5M1 ARG 383 HD2 -0.22 -0.12 0.04 -0.04 3.22 2.88 2bp5M1 ARG 383 HD3 -0.35 0.06 -0.02 -0.04 3.22 2.87 2bp5M1 PRO 384 HA -0.11 0.00 0.15 -0.51 4.44 3.97 2bp5M1 PRO 384 HB2 0.02 0.12 0.02 -0.04 2.28 2.41 2bp5M1 PRO 384 HB3 -0.01 -0.04 0.11 -0.04 2.02 2.04 2bp5M1 PRO 384 HG2 0.13 0.03 0.04 -0.04 2.03 2.19 2bp5M1 PRO 384 HG3 0.02 0.02 0.11 -0.04 2.03 2.14 2bp5M1 PRO 384 HD2 0.01 0.07 -0.02 -0.04 3.68 3.70 2bp5M1 PRO 384 HD3 -0.24 0.17 0.06 -0.04 3.65 3.60 2bp5M1 PRO 385 HA -0.03 0.06 0.57 -0.51 4.44 4.53 2bp5M1 PRO 385 HB2 0.00 0.04 -0.18 -0.04 2.28 2.10 2bp5M1 PRO 385 HB3 -0.02 -0.02 -0.34 -0.04 2.02 1.61 2bp5M1 PRO 385 HG2 -0.02 -0.01 -0.03 -0.04 2.03 1.93 2bp5M1 PRO 385 HG3 -0.04 -0.00 -0.00 -0.04 2.03 1.95 2bp5M1 PRO 385 HD2 -0.01 0.08 0.12 -0.04 3.68 3.83 2bp5M1 PRO 385 HD3 -0.04 0.05 0.16 -0.04 3.65 3.78 2bp5M1 ILE 386 H 0.03 0.43 0.34 -0.55 8.25 8.50 2bp5M1 ILE 386 HA 0.08 0.29 0.89 -0.75 4.18 4.69 2bp5M1 ILE 386 HB 0.07 0.03 0.20 -0.04 1.89 2.15 2bp5M1 ILE 386 HG12 0.11 -0.01 0.06 -0.04 1.49 1.60 2bp5M1 ILE 386 HG13 0.07 0.02 0.05 -0.04 1.21 1.31 2bp5M1 ILE 386 HG23 0.11 -0.01 -0.15 -0.04 0.93 0.85 2bp5M1 ILE 386 HD13 0.08 -0.02 -0.05 -0.04 0.88 0.85 2bp5M1 SER 387 H 0.08 0.41 0.35 -0.55 8.46 8.75 2bp5M1 SER 387 HA 0.10 0.33 1.18 -0.75 4.49 5.34 2bp5M1 SER 387 HB2 0.05 -0.03 0.09 -0.04 3.95 4.01 2bp5M1 SER 387 HB3 0.05 -0.01 -0.15 -0.04 3.93 3.78 2bp5M1 MET 388 H 0.13 0.40 0.37 -0.55 8.47 8.83 2bp5M1 MET 388 HA -0.00 0.36 1.27 -0.75 4.52 5.39 2bp5M1 MET 388 HB2 0.25 0.01 0.05 -0.04 2.15 2.42 2bp5M1 MET 388 HB3 0.01 -0.01 -0.08 -0.04 2.03 1.91 2bp5M1 MET 388 HG2 -0.03 0.08 -0.01 -0.04 2.63 2.63 2bp5M1 MET 388 HG3 0.13 -0.04 -0.31 -0.04 2.56 2.30 2bp5M1 MET 388 HE3 -0.75 0.01 -0.19 -0.04 2.10 1.13 2bp5M1 ASN 389 H -0.10 0.58 0.46 -0.55 8.53 8.92 2bp5M1 ASN 389 HA -0.34 0.12 0.71 -0.75 4.76 4.50 2bp5M1 ASN 389 HB2 -0.11 -0.08 0.17 -0.04 2.88 2.82 2bp5M1 ASN 389 HB3 -0.16 0.05 0.15 -0.04 2.79 2.79 2bp5M1 ASN 389 HD21 -0.05 -0.01 -0.10 -0.04 7.03 6.84 2bp5M1 ASN 389 HD22 -0.06 -0.05 -0.08 -0.04 7.74 7.51 2bp5M1 PHE 390 H -0.63 0.22 0.33 -0.55 8.34 7.71 2bp5M1 PHE 390 HA -0.15 0.33 0.30 -0.75 4.62 4.35 2bp5M1 PHE 390 HB2 -0.02 0.04 -0.03 -0.04 3.15 3.10 2bp5M1 PHE 390 HB3 -0.37 0.09 -0.09 -0.04 3.06 2.64 2bp5M1 PHE 390 HD2 -0.29 0.05 -0.48 -0.04 7.28 6.52 2bp5M1 PHE 390 HE2 -0.93 0.03 -0.22 -0.04 7.38 6.22 2bp5M1 PHE 390 HZ -0.39 0.04 -0.11 -0.04 7.32 6.82 2bp5M1 GLU 391 H 0.11 0.61 0.34 -0.55 8.60 9.11 2bp5M1 GLU 391 HA -0.02 0.25 1.00 -0.75 4.29 4.77 2bp5M1 GLU 391 HB2 -0.03 0.04 0.06 -0.04 2.09 2.12 2bp5M1 GLU 391 HB3 -0.01 -0.11 0.05 -0.04 1.99 1.88 2bp5M1 GLU 391 HG2 -0.05 0.02 0.01 -0.04 2.34 2.28 2bp5M1 GLU 391 HG3 -0.07 0.00 0.02 -0.04 2.34 2.26 2bp5M1 VAL 392 H -0.10 0.82 0.47 -0.55 8.24 8.88 2bp5M1 VAL 392 HA -0.18 0.22 1.00 -0.75 4.13 4.42 2bp5M1 VAL 392 HB -0.96 -0.01 -0.02 -0.04 2.12 1.10 2bp5M1 VAL 392 HG13 -0.46 -0.01 -0.21 -0.04 0.97 0.24 2bp5M1 VAL 392 HG23 -0.74 0.02 -0.02 -0.04 0.95 0.17 2bp5M1 PRO 393 HA 0.01 0.40 0.64 -0.51 4.44 4.98 2bp5M1 PRO 393 HB2 0.10 -0.02 0.31 -0.04 2.28 2.62 2bp5M1 PRO 393 HB3 0.04 0.03 0.17 -0.04 2.02 2.22 2bp5M1 PRO 393 HG2 0.13 -0.03 0.02 -0.04 2.03 2.10 2bp5M1 PRO 393 HG3 0.06 0.04 0.14 -0.04 2.03 2.23 2bp5M1 PRO 393 HD2 -0.11 0.03 0.02 -0.04 3.68 3.58 2bp5M1 PRO 393 HD3 -0.07 0.41 0.23 -0.04 3.65 4.18 2bp5M1 PHE 394 H -0.50 0.30 -0.47 -0.55 8.34 7.12 2bp5M1 PHE 394 HA -0.20 0.08 0.47 -0.75 4.62 4.21 2bp5M1 PHE 394 HB2 -0.20 0.04 0.01 -0.04 3.15 2.96 2bp5M1 PHE 394 HB3 -0.15 0.08 -0.14 -0.04 3.06 2.81 2bp5M1 PHE 394 HD2 -0.15 0.09 -0.52 -0.04 7.28 6.65 2bp5M1 PHE 394 HE2 -0.59 0.03 -0.17 -0.04 7.38 6.61 2bp5M1 PHE 394 HZ -0.37 0.04 -0.14 -0.04 7.32 6.81 2bp5M1 ALA 395 H -0.10 0.21 0.05 -0.55 8.40 8.02 2bp5M1 ALA 395 HA 0.10 0.15 0.64 -0.75 4.34 4.48 2bp5M1 ALA 395 HB3 0.18 0.03 0.06 -0.04 1.41 1.64 2bp5M1 PRO 396 HA 0.33 0.14 0.53 -0.51 4.44 4.93 2bp5M1 PRO 396 HB2 0.10 -0.05 -0.10 -0.04 2.28 2.19 2bp5M1 PRO 396 HB3 0.15 0.32 0.11 -0.04 2.02 2.56 2bp5M1 PRO 396 HG2 0.02 0.01 -0.02 -0.04 2.03 2.00 2bp5M1 PRO 396 HG3 -0.15 0.07 -0.01 -0.04 2.03 1.90 2bp5M1 PRO 396 HD2 0.03 -0.01 0.15 -0.04 3.68 3.81 2bp5M1 PRO 396 HD3 -0.10 0.41 0.36 -0.04 3.65 4.28 2bp5M1 SER 397 H 0.14 0.03 -0.34 -0.55 8.46 7.74 2bp5M1 SER 397 HA 0.11 0.15 0.48 -0.75 4.49 4.47 2bp5M1 SER 397 HB2 0.15 0.06 -0.06 -0.04 3.95 4.06 2bp5M1 SER 397 HB3 0.19 0.01 -0.06 -0.04 3.93 4.03 2bp5M1 GLY 398 H 0.11 0.25 -0.37 -0.55 8.43 7.87 2bp5M1 GLY 398 HA2 0.02 0.07 0.20 -0.51 4.01 3.79 2bp5M1 GLY 398 HA3 0.02 0.21 0.63 -0.51 4.01 4.36 2bp5M1 LEU 399 H 0.07 -0.09 -0.33 -0.55 8.37 7.48 2bp5M1 LEU 399 HA 0.00 0.02 0.31 -0.75 4.35 3.93 2bp5M1 LEU 399 HB2 -0.00 0.03 -0.11 -0.04 1.64 1.51 2bp5M1 LEU 399 HB3 0.12 -0.08 -0.04 -0.04 1.64 1.60 2bp5M1 LEU 399 HG -0.05 -0.02 -0.11 -0.04 1.64 1.42 2bp5M1 LEU 399 HD13 -0.31 0.00 -0.20 -0.04 0.93 0.38 2bp5M1 LEU 399 HD23 0.18 -0.00 -0.46 -0.04 0.89 0.56 2bp5M1 LYS 400 H 0.01 0.10 0.22 -0.55 8.42 8.19 2bp5M1 LYS 400 HA 0.20 0.11 0.54 -0.75 4.32 4.42 2bp5M1 LYS 400 HB2 0.01 -0.05 -0.03 -0.04 1.87 1.76 2bp5M1 LYS 400 HB3 0.06 0.06 0.04 -0.04 1.79 1.91 2bp5M1 LYS 400 HG2 -0.09 0.18 -0.27 -0.04 1.46 1.24 2bp5M1 LYS 400 HG3 -0.03 0.13 -0.12 -0.04 1.46 1.39 2bp5M1 LYS 400 HD2 -0.03 -0.01 -0.01 -0.04 1.69 1.60 2bp5M1 LYS 400 HD3 -0.13 -0.03 0.01 -0.04 1.68 1.48 2bp5M1 LYS 400 HE2 -0.08 0.08 -0.05 -0.04 2.99 2.89 2bp5M1 LYS 400 HE3 -0.05 0.01 -0.02 -0.04 2.99 2.89 2bp5M1 VAL 401 H 0.30 0.19 0.07 -0.55 8.24 8.25 2bp5M1 VAL 401 HA -0.06 0.11 0.80 -0.75 4.13 4.23 2bp5M1 VAL 401 HB 0.15 0.00 0.06 -0.04 2.12 2.29 2bp5M1 VAL 401 HG13 0.18 0.03 -0.22 -0.04 0.97 0.92 2bp5M1 VAL 401 HG23 0.27 -0.01 -0.15 -0.04 0.95 1.02 2bp5M1 ARG 402 H -0.23 0.56 0.38 -0.55 8.46 8.62 2bp5M1 ARG 402 HA 0.01 0.13 0.67 -0.75 4.34 4.40 2bp5M1 ARG 402 HB2 -0.26 0.01 -0.23 -0.04 1.90 1.37 2bp5M1 ARG 402 HB3 0.06 0.00 -0.11 -0.04 1.80 1.71 2bp5M1 ARG 402 HG2 -0.02 0.01 -0.23 -0.04 1.67 1.39 2bp5M1 ARG 402 HG3 -0.09 -0.10 -0.41 -0.04 1.67 1.03 2bp5M1 ARG 402 HD2 0.02 0.03 -0.16 -0.04 3.22 3.07 2bp5M1 ARG 402 HD3 0.05 0.00 -0.09 -0.04 3.22 3.14 2bp5M1 TYR 403 H -0.33 0.47 0.26 -0.55 8.29 8.14 2bp5M1 TYR 403 HA 0.03 0.11 0.45 -0.75 4.56 4.39 2bp5M1 TYR 403 HB2 0.01 -0.01 -0.04 -0.04 3.06 2.98 2bp5M1 TYR 403 HB3 0.01 0.15 -0.18 -0.04 2.98 2.91 2bp5M1 TYR 403 HD2 0.02 0.04 -0.33 -0.04 7.15 6.84 2bp5M1 TYR 403 HE2 0.03 0.06 -0.20 -0.04 6.85 6.70 2bp5M1 LEU 404 H 0.17 0.31 0.04 -0.55 8.37 8.35 2bp5M1 LEU 404 HA 0.30 0.26 0.58 -0.75 4.35 4.74 2bp5M1 LEU 404 HB2 0.25 -0.01 -0.08 -0.04 1.64 1.76 2bp5M1 LEU 404 HB3 0.11 -0.01 0.01 -0.04 1.64 1.71 2bp5M1 LEU 404 HG 0.28 0.02 -0.17 -0.04 1.64 1.73 2bp5M1 LEU 404 HD13 0.14 -0.01 -0.14 -0.04 0.93 0.88 2bp5M1 LEU 404 HD23 0.05 0.01 -0.39 -0.04 0.89 0.52 2bp5M1 LYS 405 H 0.14 0.49 0.16 -0.55 8.42 8.66 2bp5M1 LYS 405 HA -0.19 0.10 0.66 -0.75 4.32 4.14 2bp5M1 LYS 405 HB2 -0.04 0.00 0.19 -0.04 1.87 1.98 2bp5M1 LYS 405 HB3 -0.71 0.04 -0.01 -0.04 1.79 1.06 2bp5M1 LYS 405 HG2 -0.12 -0.04 -0.14 -0.04 1.46 1.12 2bp5M1 LYS 405 HG3 -0.20 0.03 -0.03 -0.04 1.46 1.21 2bp5M1 LYS 405 HD2 -0.11 -0.01 -0.00 -0.04 1.69 1.53 2bp5M1 LYS 405 HD3 -0.18 0.01 0.04 -0.04 1.68 1.51 2bp5M1 LYS 405 HE2 -0.06 0.00 -0.02 -0.04 2.99 2.87 2bp5M1 LYS 405 HE3 -0.04 -0.03 -0.09 -0.04 2.99 2.79 2bp5M1 VAL 406 H -0.33 0.17 0.19 -0.55 8.24 7.72 2bp5M1 VAL 406 HA -0.29 0.29 0.91 -0.75 4.13 4.29 2bp5M1 VAL 406 HB -0.06 -0.02 -0.05 -0.04 2.12 1.95 2bp5M1 VAL 406 HG13 -0.00 0.00 -0.28 -0.04 0.97 0.65 2bp5M1 VAL 406 HG23 -0.04 0.02 -0.26 -0.04 0.95 0.63 2bp5M1 PHE 407 H -0.10 0.50 0.05 -0.55 8.34 8.24 2bp5M1 PHE 407 HA -0.10 0.07 0.72 -0.75 4.62 4.56 2bp5M1 PHE 407 HB2 -0.05 0.10 0.22 -0.04 3.15 3.38 2bp5M1 PHE 407 HB3 -0.06 -0.01 0.04 -0.04 3.06 2.99 2bp5M1 PHE 407 HD2 -0.05 0.09 0.01 -0.04 7.28 7.30 2bp5M1 PHE 407 HE2 -0.04 -0.01 -0.04 -0.04 7.38 7.25 2bp5M1 PHE 407 HZ -0.07 -0.00 -0.04 -0.04 7.32 7.16 2bp5M1 GLU 408 H -0.16 0.37 0.06 -0.55 8.60 8.33 2bp5M1 GLU 408 HA -0.01 0.19 0.47 -0.75 4.29 4.18 2bp5M1 GLU 408 HB2 -0.02 0.04 0.04 -0.04 2.09 2.11 2bp5M1 GLU 408 HB3 -0.36 0.01 0.06 -0.04 1.99 1.66 2bp5M1 GLU 408 HG2 0.02 0.07 -0.03 -0.04 2.34 2.36 2bp5M1 GLU 408 HG3 -0.09 -0.10 -0.24 -0.04 2.34 1.87 2bp5M1 PRO 409 HA -0.03 0.28 0.61 -0.51 4.44 4.79 2bp5M1 PRO 409 HB2 -0.02 0.04 0.04 -0.04 2.28 2.30 2bp5M1 PRO 409 HB3 -0.02 0.01 -0.01 -0.04 2.02 1.96 2bp5M1 PRO 409 HG2 -0.01 0.04 0.03 -0.04 2.03 2.05 2bp5M1 PRO 409 HG3 -0.01 0.07 0.02 -0.04 2.03 2.07 2bp5M1 PRO 409 HD2 -0.00 -0.02 0.20 -0.04 3.68 3.81 2bp5M1 PRO 409 HD3 0.01 0.21 0.14 -0.04 3.65 3.96 2bp5M1 LYS 410 H -0.01 0.06 0.02 -0.55 8.42 7.94 2bp5M1 LYS 410 HA -0.00 0.10 0.62 -0.75 4.32 4.29 2bp5M1 LYS 410 HB2 0.01 -0.07 0.09 -0.04 1.87 1.87 2bp5M1 LYS 410 HB3 0.01 0.00 -0.00 -0.04 1.79 1.76 2bp5M1 LYS 410 HG2 0.00 0.02 0.04 -0.04 1.46 1.48 2bp5M1 LYS 410 HG3 -0.00 -0.04 0.06 -0.04 1.46 1.44 2bp5M1 LYS 410 HD2 0.01 0.01 0.04 -0.04 1.69 1.70 2bp5M1 LYS 410 HD3 0.01 -0.00 0.01 -0.04 1.68 1.66 2bp5M1 LYS 410 HE2 -0.00 -0.01 0.01 -0.04 2.99 2.94 2bp5M1 LYS 410 HE3 -0.00 0.02 0.02 -0.04 2.99 2.98 2bp5M1 LEU 411 H -0.00 -0.01 -0.18 -0.55 8.37 7.63 2bp5M1 LEU 411 HA 0.05 0.13 0.52 -0.75 4.35 4.30 2bp5M1 LEU 411 HB2 0.11 0.07 -0.04 -0.04 1.64 1.74 2bp5M1 LEU 411 HB3 0.19 -0.09 0.05 -0.04 1.64 1.75 2bp5M1 LEU 411 HG 0.07 -0.09 -0.04 -0.04 1.64 1.54 2bp5M1 LEU 411 HD13 0.18 0.04 -0.17 -0.04 0.93 0.94 2bp5M1 LEU 411 HD23 0.06 0.02 -0.14 -0.04 0.89 0.79 2bp5M1 ASN 412 H 0.11 0.09 0.09 -0.55 8.53 8.27 2bp5M1 ASN 412 HA 0.04 0.22 0.29 -0.75 4.76 4.55 2bp5M1 ASN 412 HB2 0.05 -0.00 0.17 -0.04 2.88 3.06 2bp5M1 ASN 412 HB3 0.04 0.05 0.04 -0.04 2.79 2.88 2bp5M1 ASN 412 HD21 0.05 -0.01 -0.00 -0.04 7.03 7.02 2bp5M1 ASN 412 HD22 0.05 0.01 0.04 -0.04 7.74 7.79 2bp5M1 TYR 413 H 0.21 0.04 -0.30 -0.55 8.29 7.69 2bp5M1 TYR 413 HA 0.04 0.14 0.66 -0.75 4.56 4.64 2bp5M1 TYR 413 HB2 0.01 0.03 0.12 -0.04 3.06 3.18 2bp5M1 TYR 413 HB3 0.03 -0.01 0.07 -0.04 2.98 3.02 2bp5M1 TYR 413 HD2 0.02 0.01 -0.13 -0.04 7.15 7.01 2bp5M1 TYR 413 HE2 0.03 0.03 -0.12 -0.04 6.85 6.75 2bp5M1 SER 414 H 0.16 0.13 0.12 -0.55 8.46 8.32 2bp5M1 SER 414 HA -0.07 0.24 0.79 -0.75 4.49 4.69 2bp5M1 SER 414 HB2 0.08 -0.03 0.17 -0.04 3.95 4.13 2bp5M1 SER 414 HB3 0.06 0.12 -0.06 -0.04 3.93 4.01 2bp5M1 ASP 415 H -0.00 0.22 0.23 -0.55 8.40 8.30 2bp5M1 ASP 415 HA -0.07 0.04 0.45 -0.75 4.63 4.30 2bp5M1 ASP 415 HB2 -0.28 0.21 0.29 -0.04 2.71 2.89 2bp5M1 ASP 415 HB3 -0.03 -0.07 0.21 -0.04 2.70 2.77 2bp5M1 HIS 416 H 0.26 0.05 -0.13 -0.55 8.41 8.04 2bp5M1 HIS 416 HA -0.03 0.16 0.29 -0.75 4.63 4.30 2bp5M1 HIS 416 HB2 -0.02 0.05 0.15 -0.04 3.26 3.40 2bp5M1 HIS 416 HB3 -0.01 -0.05 0.11 -0.04 3.20 3.21 2bp5M1 HIS 416 HD2 -0.01 0.01 0.01 -0.04 6.97 6.94 2bp5M1 HIS 416 HE1 0.02 0.01 -0.04 -0.04 7.75 7.69 2bp5M1 ASP 417 H 0.06 0.33 -0.42 -0.55 8.40 7.82 2bp5M1 ASP 417 HA -0.21 0.13 0.88 -0.75 4.63 4.67 2bp5M1 ASP 417 HB2 0.15 0.09 0.07 -0.04 2.71 2.98 2bp5M1 ASP 417 HB3 -0.01 -0.02 0.14 -0.04 2.70 2.77 2bp5M1 VAL 418 H 0.01 0.54 0.01 -0.55 8.24 8.26 2bp5M1 VAL 418 HA -0.03 0.19 0.58 -0.75 4.13 4.11 2bp5M1 VAL 418 HB -0.02 0.04 0.08 -0.04 2.12 2.19 2bp5M1 VAL 418 HG13 -0.02 -0.02 -0.31 -0.04 0.97 0.57 2bp5M1 VAL 418 HG23 0.14 -0.01 -0.05 -0.04 0.95 0.99 2bp5M1 ILE 419 H -0.08 0.65 0.46 -0.55 8.25 8.73 2bp5M1 ILE 419 HA -0.23 0.13 0.84 -0.75 4.18 4.16 2bp5M1 ILE 419 HB -0.03 -0.08 0.15 -0.04 1.89 1.89 2bp5M1 ILE 419 HG12 -0.09 0.01 -0.02 -0.04 1.49 1.34 2bp5M1 ILE 419 HG13 -0.07 0.13 -0.02 -0.04 1.21 1.21 2bp5M1 ILE 419 HG23 -0.31 -0.00 -0.05 -0.04 0.93 0.52 2bp5M1 ILE 419 HD13 0.02 -0.03 -0.01 -0.04 0.88 0.82 2bp5M1 LYS 420 H -0.45 0.21 0.20 -0.55 8.42 7.83 2bp5M1 LYS 420 HA -0.24 0.21 1.00 -0.75 4.32 4.53 2bp5M1 LYS 420 HB2 -0.19 0.00 0.09 -0.04 1.87 1.73 2bp5M1 LYS 420 HB3 -0.11 -0.02 -0.07 -0.04 1.79 1.56 2bp5M1 LYS 420 HG2 -0.07 -0.03 -0.20 -0.04 1.46 1.12 2bp5M1 LYS 420 HG3 -0.12 0.04 -0.51 -0.04 1.46 0.83 2bp5M1 LYS 420 HD2 -0.06 -0.02 -0.01 -0.04 1.69 1.55 2bp5M1 LYS 420 HD3 -0.01 -0.05 -0.01 -0.04 1.68 1.57 2bp5M1 LYS 420 HE2 -0.04 -0.03 -0.01 -0.04 2.99 2.87 2bp5M1 LYS 420 HE3 -0.05 0.11 -0.01 -0.04 2.99 3.00 2bp5M1 TRP 421 H -0.05 0.46 0.33 -0.55 7.97 8.16 2bp5M1 TRP 421 HA -0.04 0.16 0.98 -0.75 4.62 4.97 2bp5M1 TRP 421 HB2 -0.19 -0.03 0.20 -0.04 3.23 3.16 2bp5M1 TRP 421 HB3 0.07 0.01 -0.00 -0.04 3.23 3.27 2bp5M1 TRP 421 HD1 -1.21 0.16 -0.13 -0.04 7.22 6.00 2bp5M1 TRP 421 HE1 -0.19 -0.03 -0.14 -0.04 10.20 9.80 2bp5M1 TRP 421 HE3 0.04 0.02 0.05 -0.04 7.59 7.66 2bp5M1 TRP 421 HZ2 0.01 -0.02 -0.05 -0.04 7.44 7.33 2bp5M1 TRP 421 HZ3 0.04 -0.01 0.01 -0.04 7.13 7.13 2bp5M1 TRP 421 HH2 0.03 -0.02 -0.01 -0.04 7.19 7.14 2bp5M1 VAL 422 H 0.20 0.25 0.22 -0.55 8.24 8.37 2bp5M1 VAL 422 HA 0.04 0.30 1.22 -0.75 4.13 4.94 2bp5M1 VAL 422 HB 0.00 -0.03 -0.14 -0.04 2.12 1.91 2bp5M1 VAL 422 HG13 -0.29 -0.01 -0.06 -0.04 0.97 0.57 2bp5M1 VAL 422 HG23 0.06 0.00 -0.12 -0.04 0.95 0.86 2bp5M1 ARG 423 H -0.07 0.71 0.43 -0.55 8.46 8.97 2bp5M1 ARG 423 HA 0.04 0.16 0.53 -0.75 4.34 4.32 2bp5M1 ARG 423 HB2 0.05 0.05 0.10 -0.04 1.90 2.05 2bp5M1 ARG 423 HB3 0.06 0.03 -0.01 -0.04 1.80 1.85 2bp5M1 ARG 423 HG2 -0.01 -0.00 0.02 -0.04 1.67 1.64 2bp5M1 ARG 423 HG3 -0.02 -0.02 -0.27 -0.04 1.67 1.32 2bp5M1 ARG 423 HD2 -0.01 0.03 -0.10 -0.04 3.22 3.10 2bp5M1 ARG 423 HD3 -0.00 0.00 -0.09 -0.04 3.22 3.08 2bp5M1 TYR 424 H 0.21 0.27 0.14 -0.55 8.29 8.36 2bp5M1 TYR 424 HA 0.03 0.17 0.95 -0.75 4.56 4.96 2bp5M1 TYR 424 HB2 0.05 0.20 -0.20 -0.04 3.06 3.07 2bp5M1 TYR 424 HB3 0.04 -0.07 -0.34 -0.04 2.98 2.57 2bp5M1 TYR 424 HD2 0.08 0.04 -0.03 -0.04 7.15 7.19 2bp5M1 TYR 424 HE2 0.08 0.02 -0.10 -0.04 6.85 6.81 2bp5M1 ILE 425 H 0.06 0.73 0.27 -0.55 8.25 8.76 2bp5M1 ILE 425 HA -0.01 0.25 0.98 -0.75 4.18 4.64 2bp5M1 ILE 425 HB -0.03 -0.05 0.15 -0.04 1.89 1.93 2bp5M1 ILE 425 HG12 -0.01 0.07 -0.14 -0.04 1.49 1.37 2bp5M1 ILE 425 HG13 0.00 -0.12 -0.63 -0.04 1.21 0.42 2bp5M1 ILE 425 HG23 -0.04 0.00 -0.09 -0.04 0.93 0.75 2bp5M1 ILE 425 HD13 -0.03 -0.01 -0.11 -0.04 0.88 0.68 2bp5M1 GLY 426 H -0.12 0.73 0.37 -0.55 8.43 8.86 2bp5M1 GLY 426 HA2 -0.06 0.21 1.09 -0.51 4.01 4.74 2bp5M1 GLY 426 HA3 -0.17 0.09 0.48 -0.51 4.01 3.90 2bp5M1 ARG 427 H -0.10 0.73 0.54 -0.55 8.46 9.08 2bp5M1 ARG 427 HA -0.22 0.27 1.17 -0.75 4.34 4.81 2bp5M1 ARG 427 HB2 -0.18 0.08 0.21 -0.04 1.90 1.96 2bp5M1 ARG 427 HB3 -0.11 -0.08 -0.08 -0.04 1.80 1.49 2bp5M1 ARG 427 HG2 -0.11 0.09 0.10 -0.04 1.67 1.71 2bp5M1 ARG 427 HG3 -0.15 0.09 -0.10 -0.04 1.67 1.47 2bp5M1 ARG 427 HD2 -0.10 0.01 -0.01 -0.04 3.22 3.08 2bp5M1 ARG 427 HD3 -0.08 -0.03 -0.05 -0.04 3.22 3.01 2bp5M1 SER 428 H -0.92 0.40 0.34 -0.55 8.46 7.73 2bp5M1 SER 428 HA -0.45 0.09 0.81 -0.75 4.49 4.18 2bp5M1 SER 428 HB2 -0.42 0.19 0.09 -0.04 3.95 3.77 2bp5M1 SER 428 HB3 -1.71 -0.05 0.11 -0.04 3.93 2.24 2bp5M1 GLY 429 H -0.10 0.37 0.05 -0.55 8.43 8.21 2bp5M1 GLY 429 HA2 -0.09 0.16 0.68 -0.51 4.01 4.25 2bp5M1 GLY 429 HA3 -0.08 -0.08 0.30 -0.51 4.01 3.65 2bp5M1 ILE 430 H -0.04 0.09 0.10 -0.55 8.25 7.85 2bp5M1 ILE 430 HA 0.00 0.18 0.89 -0.75 4.18 4.49 2bp5M1 ILE 430 HB -0.02 -0.07 0.21 -0.04 1.89 1.98 2bp5M1 ILE 430 HG12 -0.00 0.07 -0.00 -0.04 1.49 1.51 2bp5M1 ILE 430 HG13 -0.01 -0.07 -0.02 -0.04 1.21 1.06 2bp5M1 ILE 430 HG23 0.00 0.02 -0.13 -0.04 0.93 0.79 2bp5M1 ILE 430 HD13 0.01 0.00 -0.01 -0.04 0.88 0.84 2bp5M1 TYR 431 H 0.10 0.25 0.13 -0.55 8.29 8.22 2bp5M1 TYR 431 HA 0.02 0.08 0.99 -0.75 4.56 4.89 2bp5M1 TYR 431 HB2 -0.04 -0.00 -0.11 -0.04 3.06 2.87 2bp5M1 TYR 431 HB3 0.02 0.02 0.27 -0.04 2.98 3.26 2bp5M1 TYR 431 HD2 0.14 0.05 -0.08 -0.04 7.15 7.22 2bp5M1 TYR 431 HE2 0.23 0.01 -0.14 -0.04 6.85 6.90 2bp5M1 GLU 432 H -0.08 0.80 0.37 -0.55 8.60 9.14 2bp5M1 GLU 432 HA 0.05 0.35 1.14 -0.75 4.29 5.07 2bp5M1 GLU 432 HB2 -0.02 -0.01 0.18 -0.04 2.09 2.20 2bp5M1 GLU 432 HB3 -0.01 0.01 -0.11 -0.04 1.99 1.85 2bp5M1 GLU 432 HG2 0.03 0.12 -0.20 -0.04 2.34 2.25 2bp5M1 GLU 432 HG3 0.02 -0.20 -0.29 -0.04 2.34 1.83 2bp5M1 THR 433 H 0.03 0.78 0.38 -0.55 8.28 8.92 2bp5M1 THR 433 HA -0.02 0.12 1.07 -0.75 4.39 4.80 2bp5M1 THR 433 HB 0.05 -0.06 0.18 -0.04 4.32 4.45 2bp5M1 THR 433 HG23 0.02 0.11 -0.04 -0.04 1.22 1.27 2bp5M1 ARG 434 H -0.02 0.66 0.26 -0.55 8.46 8.81 2bp5M1 ARG 434 HA -0.04 0.04 0.62 -0.75 4.34 4.21 2bp5M1 ARG 434 HB2 -0.03 -0.04 -0.02 -0.04 1.90 1.77 2bp5M1 ARG 434 HB3 -0.05 -0.01 0.12 -0.04 1.80 1.82 2bp5M1 ARG 434 HG2 -0.03 -0.03 0.04 -0.04 1.67 1.61 2bp5M1 ARG 434 HG3 -0.03 -0.02 0.06 -0.04 1.67 1.64 2bp5M1 ARG 434 HD2 -0.05 0.02 0.01 -0.04 3.22 3.16 2bp5M1 ARG 434 HD3 -0.04 -0.01 -0.03 -0.04 3.22 3.10 2bp5M1 CYS 435 H -0.06 0.18 0.09 -0.55 8.50 8.16 2bp5M1 CYS 435 HA -0.02 0.11 0.15 -0.75 4.58 4.07 2bp5M1 CYS 435 HB2 0.00 -0.04 0.06 -0.04 2.97 2.95 2bp5M1 CYS 435 HB3 0.01 0.14 0.14 -0.04 2.97 3.22