============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. TYR 9 0.840 31.122 33.039 29.691 -99.200 -91.000 HIS 33 0.900 17.742 30.663 61.706 -99.200 -91.000 HIS 69 0.900 5.943 50.632 108.811 -99.200 -91.000 TYR 74 0.840 11.525 43.269 114.589 -99.200 -91.000 TYR 84 0.840 3.988 39.218 109.044 -99.200 -91.000 TYR 85 0.840 -4.783 40.110 105.118 -99.200 -91.000 PHE 91 1.000 -10.034 56.665 106.365 -99.200 -91.000 TYR 95 0.840 -2.702 48.317 103.219 -99.200 -91.000 PHE 98 1.000 7.634 39.418 101.579 -99.200 -91.000 HIS 104 0.900 19.793 47.700 105.362 -99.200 -91.000 TRP 108 1.040 13.396 48.169 106.743 -99.200 -91.000 TRP6 108 1.020 13.302 50.468 106.211 -99.200 -91.000 PHE 121 1.000 6.351 46.245 88.778 -99.200 -91.000 TRP 125 1.040 -3.040 58.890 88.133 -99.200 -91.000 TRP6 125 1.020 -1.011 59.979 88.657 -99.200 -91.000 TYR 128 0.840 2.907 52.155 88.410 -99.200 -91.000 PHE 132 1.000 1.540 47.627 89.235 -99.200 -91.000 PHE 137 1.000 3.937 34.533 93.115 -99.200 -91.000 TYR 150 0.840 4.077 44.100 96.977 -99.200 -91.000 TRP 151 1.040 3.100 51.283 92.890 -99.200 -91.000 TRP6 151 1.020 5.218 52.277 93.179 -99.200 -91.000 HIS 158 0.900 -0.872 61.420 100.056 -99.200 -91.000 HIS 164 0.900 3.875 61.806 112.663 -99.200 -91.000 PHE 170 1.000 14.335 53.645 96.721 -99.200 -91.000 TRP 175 1.040 20.110 40.089 86.617 -99.200 -91.000 TRP6 175 1.020 18.586 38.347 86.189 -99.200 -91.000 TYR 181 0.840 22.479 47.079 101.900 -99.200 -91.000 TYR 184 0.840 17.348 58.813 99.316 -99.200 -91.000 PHE 187 1.000 8.795 57.423 100.117 -99.200 -91.000 TYR 196 0.840 -0.965 59.856 94.478 -99.200 -91.000 TRP 199 1.040 7.969 67.067 98.580 -99.200 -91.000 TRP6 199 1.020 9.551 68.422 97.466 -99.200 -91.000 TYR 203 0.840 22.923 57.745 99.223 -99.200 -91.000 HIS 228 0.900 14.291 59.702 89.694 -99.200 -91.000 PHE 233 1.000 4.175 57.036 90.198 -99.200 -91.000 PHE 236 1.000 -0.016 52.774 78.736 -99.200 -91.000 TRP 243 1.040 12.004 65.334 77.474 -99.200 -91.000 TRP6 243 1.020 11.623 63.143 76.677 -99.200 -91.000 HIS 251 0.900 4.006 59.989 78.765 -99.200 -91.000 TRP 260 1.040 10.984 56.617 89.285 -99.200 -91.000 TRP6 260 1.020 10.855 55.490 91.359 -99.200 -91.000 TRP 261 1.040 7.275 59.967 92.753 -99.200 -91.000 TRP6 261 1.020 7.510 57.842 93.769 -99.200 -91.000 TYR 262 0.840 9.821 57.548 84.479 -99.200 -91.000 HIS 266 0.900 15.674 56.246 84.319 -99.200 -91.000 TYR 274 0.840 13.358 40.804 86.448 -99.200 -91.000 TYR 275 0.840 15.468 45.343 78.923 -99.200 -91.000 TRP 276 1.040 17.220 35.772 82.819 -99.200 -91.000 TRP6 276 1.020 15.714 35.096 84.513 -99.200 -91.000 TYR 280 0.840 18.623 47.795 79.671 -99.200 -91.000 TYR 287 0.840 8.440 53.752 73.084 -99.200 -91.000 TRP 295 1.040 20.372 53.136 92.422 -99.200 -91.000 TRP6 295 1.020 18.346 53.673 93.502 -99.200 -91.000 TRP 298 1.040 25.872 48.969 92.502 -99.200 -91.000 TRP6 298 1.020 24.631 46.952 92.406 -99.200 -91.000 TRP 302 1.040 22.718 51.732 78.172 -99.200 -91.000 TRP6 302 1.020 20.709 51.921 76.940 -99.200 -91.000 TYR 303 0.840 23.533 44.544 85.801 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1lwuH1 ALA 163 HA -0.01 0.09 0.16 -0.75 4.34 3.83 1lwuH1 ALA 163 HB3 -0.00 0.01 0.12 -0.04 1.41 1.50 1lwuH1 GLN 164 H -0.01 0.18 0.07 -0.55 8.47 8.17 1lwuH1 GLN 164 HA -0.01 0.16 0.50 -0.75 4.36 4.25 1lwuH1 GLN 164 HB2 -0.01 0.02 0.09 -0.04 2.15 2.21 1lwuH1 GLN 164 HB3 -0.00 0.00 0.09 -0.04 2.02 2.07 1lwuH1 GLN 164 HG2 -0.00 0.02 0.06 -0.04 2.40 2.43 1lwuH1 GLN 164 HG3 -0.00 0.00 0.19 -0.04 2.39 2.54 1lwuH1 GLN 164 HE21 -0.02 0.02 0.01 -0.04 6.97 6.94 1lwuH1 GLN 164 HE22 0.00 -0.01 0.05 -0.04 7.69 7.70 1lwuH1 LYS 165 H 0.00 0.04 -0.73 -0.55 8.42 7.17 1lwuH1 LYS 165 HA 0.01 0.25 0.85 -0.75 4.32 4.68 1lwuH1 LYS 165 HB2 0.01 0.08 -0.16 -0.04 1.87 1.75 1lwuH1 LYS 165 HB3 0.01 -0.03 0.02 -0.04 1.79 1.74 1lwuH1 LYS 165 HG2 0.01 -0.03 -0.30 -0.04 1.46 1.09 1lwuH1 LYS 165 HG3 0.01 0.04 -0.01 -0.04 1.46 1.46 1lwuH1 LYS 165 HD2 0.01 0.03 -0.04 -0.04 1.69 1.64 1lwuH1 LYS 165 HD3 0.01 -0.01 -0.05 -0.04 1.68 1.59 1lwuH1 LYS 165 HE2 0.01 -0.02 -0.06 -0.04 2.99 2.87 1lwuH1 LYS 165 HE3 0.01 0.02 -0.03 -0.04 2.99 2.94 1lwuH1 GLU 166 H 0.01 0.23 0.08 -0.55 8.60 8.36 1lwuH1 GLU 166 HA 0.01 0.10 0.50 -0.75 4.29 4.16 1lwuH1 GLU 166 HB2 0.01 0.03 0.10 -0.04 2.09 2.19 1lwuH1 GLU 166 HB3 0.01 0.03 0.14 -0.04 1.99 2.12 1lwuH1 GLU 166 HG2 0.00 0.21 0.09 -0.04 2.34 2.60 1lwuH1 GLU 166 HG3 0.00 -0.05 0.00 -0.04 2.34 2.25 1lwuH1 ILE 167 H 0.01 0.31 -0.18 -0.55 8.25 7.84 1lwuH1 ILE 167 HA 0.03 0.12 0.71 -0.75 4.18 4.29 1lwuH1 ILE 167 HB -0.02 0.18 0.09 -0.04 1.89 2.10 1lwuH1 ILE 167 HG12 0.00 -0.01 -0.05 -0.04 1.49 1.40 1lwuH1 ILE 167 HG13 -0.00 -0.02 0.00 -0.04 1.21 1.15 1lwuH1 ILE 167 HG23 -0.03 -0.00 0.12 -0.04 0.93 0.98 1lwuH1 ILE 167 HD13 -0.01 0.02 0.03 -0.04 0.88 0.87 1lwuH1 GLU 168 H 0.04 0.21 -0.70 -0.55 8.60 7.60 1lwuH1 GLU 168 HA 0.15 0.16 0.74 -0.75 4.29 4.59 1lwuH1 GLU 168 HB2 0.03 0.01 -0.28 -0.04 2.09 1.80 1lwuH1 GLU 168 HB3 0.04 0.13 -0.05 -0.04 1.99 2.07 1lwuH1 GLU 168 HG2 0.04 0.08 0.01 -0.04 2.34 2.43 1lwuH1 GLU 168 HG3 0.08 -0.06 0.07 -0.04 2.34 2.40 1lwuH1 ASN 169 H 0.05 0.10 -0.01 -0.55 8.53 8.13 1lwuH1 ASN 169 HA 0.03 0.17 0.72 -0.75 4.76 4.93 1lwuH1 ASN 169 HB2 0.02 0.04 0.20 -0.04 2.88 3.10 1lwuH1 ASN 169 HB3 0.02 0.01 0.03 -0.04 2.79 2.81 1lwuH1 ASN 169 HD21 0.01 0.00 -0.01 -0.04 7.03 7.00 1lwuH1 ASN 169 HD22 0.02 -0.01 0.06 -0.04 7.74 7.77 1lwuH1 ARG 170 H 0.06 0.20 0.02 -0.55 8.46 8.19 1lwuH1 ARG 170 HA 0.02 0.19 0.70 -0.75 4.34 4.49 1lwuH1 ARG 170 HB2 0.05 0.05 0.10 -0.04 1.90 2.06 1lwuH1 ARG 170 HB3 0.03 0.02 0.05 -0.04 1.80 1.86 1lwuH1 ARG 170 HG2 0.02 0.02 -0.01 -0.04 1.67 1.66 1lwuH1 ARG 170 HG3 0.02 0.02 0.04 -0.04 1.67 1.71 1lwuH1 ARG 170 HD2 0.02 0.03 0.03 -0.04 3.22 3.27 1lwuH1 ARG 170 HD3 0.02 -0.00 0.01 -0.04 3.22 3.21 1lwuH1 TYR 171 H 0.16 0.02 -0.45 -0.55 8.29 7.47 1lwuH1 TYR 171 HA -0.00 0.13 0.46 -0.75 4.56 4.40 1lwuH1 TYR 171 HB2 -0.00 0.16 0.04 -0.04 3.06 3.22 1lwuH1 TYR 171 HB3 -0.00 -0.03 -0.00 -0.04 2.98 2.91 1lwuH1 TYR 171 HD2 -0.00 0.01 -0.02 -0.04 7.15 7.10 1lwuH1 TYR 171 HE2 -0.00 0.01 -0.02 -0.04 6.85 6.79 1lwuH1 LYS 172 H 0.05 0.20 -0.49 -0.55 8.42 7.63 1lwuH1 LYS 172 HA -0.19 0.08 0.44 -0.75 4.32 3.89 1lwuH1 LYS 172 HB2 0.02 0.15 0.14 -0.04 1.87 2.14 1lwuH1 LYS 172 HB3 0.00 0.08 0.06 -0.04 1.79 1.88 1lwuH1 LYS 172 HG2 -0.01 0.03 0.02 -0.04 1.46 1.46 1lwuH1 LYS 172 HG3 -0.03 -0.04 -0.07 -0.04 1.46 1.28 1lwuH1 LYS 172 HD2 -0.06 -0.06 0.09 -0.04 1.69 1.62 1lwuH1 LYS 172 HD3 -0.00 0.03 0.05 -0.04 1.68 1.71 1lwuH1 LYS 172 HE2 -0.01 0.02 0.02 -0.04 2.99 2.98 1lwuH1 LYS 172 HE3 -0.03 -0.02 0.03 -0.04 2.99 2.93 1lwuH1 GLU 173 H -0.03 0.12 -0.63 -0.55 8.60 7.51 1lwuH1 GLU 173 HA -0.04 0.14 0.72 -0.75 4.29 4.35 1lwuH1 GLU 173 HB2 -0.02 -0.02 0.12 -0.04 2.09 2.13 1lwuH1 GLU 173 HB3 -0.01 0.06 0.06 -0.04 1.99 2.06 1lwuH1 GLU 173 HG2 0.00 -0.16 0.20 -0.04 2.34 2.34 1lwuH1 GLU 173 HG3 -0.00 0.04 -0.10 -0.04 2.34 2.23 1lwuH1 VAL 174 H -0.08 0.16 -0.46 -0.55 8.24 7.30 1lwuH1 VAL 174 HA -0.03 0.16 0.79 -0.75 4.13 4.30 1lwuH1 VAL 174 HB 0.01 0.21 0.13 -0.04 2.12 2.43 1lwuH1 VAL 174 HG13 -0.02 -0.04 0.04 -0.04 0.97 0.91 1lwuH1 VAL 174 HG23 0.01 -0.02 0.07 -0.04 0.95 0.97 1lwuH1 LYS 175 H -0.19 0.26 -0.17 -0.55 8.42 7.77 1lwuH1 LYS 175 HA -0.10 0.14 0.74 -0.75 4.32 4.33 1lwuH1 LYS 175 HB2 -0.46 0.15 0.09 -0.04 1.87 1.61 1lwuH1 LYS 175 HB3 -0.25 0.05 0.01 -0.04 1.79 1.56 1lwuH1 LYS 175 HG2 -0.12 -0.02 -0.06 -0.04 1.46 1.22 1lwuH1 LYS 175 HG3 -0.09 -0.06 0.05 -0.04 1.46 1.32 1lwuH1 LYS 175 HD2 -0.17 0.02 -0.01 -0.04 1.69 1.49 1lwuH1 LYS 175 HD3 -0.22 0.02 -0.02 -0.04 1.68 1.43 1lwuH1 LYS 175 HE2 -0.02 -0.01 -0.03 -0.04 2.99 2.89 1lwuH1 LYS 175 HE3 -0.01 -0.01 -0.03 -0.04 2.99 2.89 1lwuH1 ILE 176 H -0.09 0.23 -0.25 -0.55 8.25 7.59 1lwuH1 ILE 176 HA -0.05 0.01 0.35 -0.75 4.18 3.73 1lwuH1 ILE 176 HB -0.04 0.07 -0.04 -0.04 1.89 1.84 1lwuH1 ILE 176 HG12 -0.04 -0.05 0.08 -0.04 1.49 1.43 1lwuH1 ILE 176 HG13 -0.07 0.30 0.19 -0.04 1.21 1.60 1lwuH1 ILE 176 HG23 -0.03 0.00 -0.13 -0.04 0.93 0.73 1lwuH1 ILE 176 HD13 -0.03 -0.01 0.04 -0.04 0.88 0.84 1lwuH1 ARG 177 H -0.05 0.11 -0.84 -0.55 8.46 7.13 1lwuH1 ARG 177 HA -0.02 0.04 0.40 -0.75 4.34 4.01 1lwuH1 ARG 177 HB2 -0.02 -0.02 0.15 -0.04 1.90 1.97 1lwuH1 ARG 177 HB3 -0.02 0.01 0.04 -0.04 1.80 1.79 1lwuH1 ARG 177 HG2 -0.03 -0.04 -0.05 -0.04 1.67 1.51 1lwuH1 ARG 177 HG3 -0.02 0.05 0.14 -0.04 1.67 1.79 1lwuH1 ARG 177 HD2 -0.01 0.07 0.05 -0.04 3.22 3.28 1lwuH1 ARG 177 HD3 -0.01 -0.02 0.02 -0.04 3.22 3.17 1lwuH1 ILE 178 H -0.03 0.38 0.02 -0.55 8.25 8.06 1lwuH1 ILE 178 HA -0.01 0.01 0.25 -0.75 4.18 3.68 1lwuH1 ILE 178 HB -0.04 -0.02 0.20 -0.04 1.89 1.99 1lwuH1 ILE 178 HG12 -0.01 -0.02 0.09 -0.04 1.49 1.52 1lwuH1 ILE 178 HG13 -0.02 0.13 0.18 -0.04 1.21 1.46 1lwuH1 ILE 178 HG23 -0.01 -0.00 -0.14 -0.04 0.93 0.74 1lwuH1 ILE 178 HD13 0.01 -0.01 0.02 -0.04 0.88 0.86 1lwuH1 GLU 179 H -0.04 0.51 -0.54 -0.55 8.60 8.00 1lwuH1 GLU 179 HA -0.02 0.19 1.06 -0.75 4.29 4.77 1lwuH1 GLU 179 HB2 -0.02 0.00 -0.02 -0.04 2.09 2.02 1lwuH1 GLU 179 HB3 -0.02 0.03 -0.09 -0.04 1.99 1.87 1lwuH1 GLU 179 HG2 -0.05 0.21 0.00 -0.04 2.34 2.46 1lwuH1 GLU 179 HG3 -0.04 -0.46 0.11 -0.04 2.34 1.91 1lwuH1 SER 180 H -0.03 0.14 0.10 -0.55 8.46 8.12 1lwuH1 SER 180 HA -0.02 0.01 0.36 -0.75 4.49 4.08 1lwuH1 SER 180 HB2 -0.03 -0.05 0.16 -0.04 3.95 4.00 1lwuH1 SER 180 HB3 -0.03 0.06 0.21 -0.04 3.93 4.13 1lwuH1 THR 181 H -0.02 0.24 -0.53 -0.55 8.28 7.42 1lwuH1 THR 181 HA -0.01 0.19 1.14 -0.75 4.39 4.96 1lwuH1 THR 181 HB -0.02 -0.04 0.25 -0.04 4.32 4.47 1lwuH1 THR 181 HG23 -0.01 -0.02 -0.14 -0.04 1.22 1.01 1lwuH1 VAL 182 H -0.02 0.57 0.19 -0.55 8.24 8.43 1lwuH1 VAL 182 HA -0.01 0.02 0.40 -0.75 4.13 3.78 1lwuH1 VAL 182 HB -0.01 0.07 -0.30 -0.04 2.12 1.83 1lwuH1 VAL 182 HG13 -0.01 -0.01 0.07 -0.04 0.97 0.98 1lwuH1 VAL 182 HG23 -0.01 -0.01 -0.03 -0.04 0.95 0.85 1lwuH1 ALA 183 H -0.01 0.28 -0.59 -0.55 8.40 7.53 1lwuH1 ALA 183 HA -0.01 0.14 0.90 -0.75 4.34 4.62 1lwuH1 ALA 183 HB3 -0.01 0.19 0.21 -0.04 1.41 1.75 1lwuH1 GLY 184 H -0.01 0.34 -0.08 -0.55 8.43 8.13 1lwuH1 GLY 184 HA2 -0.01 0.07 0.48 -0.51 4.01 4.05 1lwuH1 GLY 184 HA3 -0.01 0.09 0.31 -0.51 4.01 3.89 1lwuH1 SER 185 H -0.01 0.12 -0.70 -0.55 8.46 7.33 1lwuH1 SER 185 HA -0.01 0.12 0.68 -0.75 4.49 4.53 1lwuH1 SER 185 HB2 -0.01 -0.03 0.02 -0.04 3.95 3.88 1lwuH1 SER 185 HB3 -0.01 0.15 0.04 -0.04 3.93 4.07 1lwuH1 LEU 186 H -0.01 0.29 -0.13 -0.55 8.37 7.98 1lwuH1 LEU 186 HA -0.00 -0.01 0.30 -0.75 4.35 3.88 1lwuH1 LEU 186 HB2 -0.00 0.14 0.09 -0.04 1.64 1.83 1lwuH1 LEU 186 HB3 -0.00 -0.02 0.19 -0.04 1.64 1.77 1lwuH1 LEU 186 HG -0.00 0.23 0.17 -0.04 1.64 2.00 1lwuH1 LEU 186 HD13 -0.00 -0.01 0.06 -0.04 0.93 0.95 1lwuH1 LEU 186 HD23 -0.00 -0.04 -0.01 -0.04 0.89 0.79 1lwuH1 ARG 187 H -0.00 0.13 -1.68 -0.55 8.46 6.35 1lwuH1 ARG 187 HA 0.00 0.15 0.58 -0.75 4.34 4.32 1lwuH1 ARG 187 HB2 -0.00 -0.01 0.16 -0.04 1.90 2.00 1lwuH1 ARG 187 HB3 -0.00 -0.02 0.04 -0.04 1.80 1.79 1lwuH1 ARG 187 HG2 -0.00 -0.03 -0.18 -0.04 1.67 1.42 1lwuH1 ARG 187 HG3 -0.00 0.00 0.03 -0.04 1.67 1.66 1lwuH1 ARG 187 HD2 -0.00 -0.03 -0.03 -0.04 3.22 3.12 1lwuH1 ARG 187 HD3 -0.00 -0.01 -0.12 -0.04 3.22 3.04 1lwuH1 SER 188 H -0.01 0.29 0.15 -0.55 8.46 8.35 1lwuH1 SER 188 HA -0.01 0.00 0.41 -0.75 4.49 4.14 1lwuH1 SER 188 HB2 -0.02 -0.01 0.10 -0.04 3.95 3.98 1lwuH1 SER 188 HB3 -0.01 0.06 0.19 -0.04 3.93 4.13 1lwuH1 MET 189 H -0.01 0.48 -0.19 -0.55 8.47 8.21 1lwuH1 MET 189 HA -0.01 0.02 0.32 -0.75 4.52 4.09 1lwuH1 MET 189 HB2 -0.00 -0.07 -0.03 -0.04 2.15 2.01 1lwuH1 MET 189 HB3 -0.00 0.02 -0.06 -0.04 2.03 1.95 1lwuH1 MET 189 HG2 -0.01 0.16 -0.04 -0.04 2.63 2.70 1lwuH1 MET 189 HG3 -0.01 -0.06 -0.31 -0.04 2.56 2.14 1lwuH1 MET 189 HE3 -0.00 0.00 -0.04 -0.04 2.10 2.02 1lwuH1 LYS 190 H 0.00 0.34 -0.48 -0.55 8.42 7.73 1lwuH1 LYS 190 HA 0.01 0.06 0.65 -0.75 4.32 4.28 1lwuH1 LYS 190 HB2 0.00 -0.03 0.08 -0.04 1.87 1.89 1lwuH1 LYS 190 HB3 0.01 0.20 0.13 -0.04 1.79 2.08 1lwuH1 LYS 190 HG2 0.01 -0.03 -0.09 -0.04 1.46 1.31 1lwuH1 LYS 190 HG3 0.01 -0.05 0.09 -0.04 1.46 1.46 1lwuH1 LYS 190 HD2 0.00 -0.00 0.03 -0.04 1.69 1.68 1lwuH1 LYS 190 HD3 0.00 0.04 0.02 -0.04 1.68 1.70 1lwuH1 LYS 190 HE2 0.00 -0.02 -0.00 -0.04 2.99 2.93 1lwuH1 LYS 190 HE3 0.00 -0.02 0.02 -0.04 2.99 2.95 1lwuH1 SER 191 H 0.01 0.57 -0.01 -0.55 8.46 8.48 1lwuH1 SER 191 HA 0.03 0.06 0.50 -0.75 4.49 4.33 1lwuH1 SER 191 HB2 0.04 -0.01 0.02 -0.04 3.95 3.96 1lwuH1 SER 191 HB3 0.02 0.08 -0.04 -0.04 3.93 3.94 1lwuH1 VAL 192 H 0.00 0.76 0.15 -0.55 8.24 8.60 1lwuH1 VAL 192 HA -0.02 -0.00 0.39 -0.75 4.13 3.74 1lwuH1 VAL 192 HB -0.01 0.16 0.13 -0.04 2.12 2.35 1lwuH1 VAL 192 HG13 -0.04 -0.01 -0.13 -0.04 0.97 0.75 1lwuH1 VAL 192 HG23 -0.06 -0.02 0.07 -0.04 0.95 0.90 1lwuH1 LEU 193 H 0.01 0.41 -0.21 -0.55 8.37 8.04 1lwuH1 LEU 193 HA 0.02 -0.01 0.39 -0.75 4.35 3.99 1lwuH1 LEU 193 HB2 0.01 0.09 0.12 -0.04 1.64 1.82 1lwuH1 LEU 193 HB3 0.01 -0.03 0.05 -0.04 1.64 1.63 1lwuH1 LEU 193 HG 0.00 0.37 0.21 -0.04 1.64 2.18 1lwuH1 LEU 193 HD13 0.00 -0.03 0.03 -0.04 0.93 0.89 1lwuH1 LEU 193 HD23 0.00 -0.04 0.01 -0.04 0.89 0.82 1lwuH1 GLU 194 H 0.04 0.46 -0.25 -0.55 8.60 8.29 1lwuH1 GLU 194 HA 0.02 0.03 0.55 -0.75 4.29 4.14 1lwuH1 GLU 194 HB2 0.03 0.14 0.18 -0.04 2.09 2.39 1lwuH1 GLU 194 HB3 0.01 -0.06 0.05 -0.04 1.99 1.95 1lwuH1 GLU 194 HG2 0.01 -0.06 0.05 -0.04 2.34 2.30 1lwuH1 GLU 194 HG3 0.01 0.14 0.12 -0.04 2.34 2.57 1lwuH1 HIS 195 H 0.13 0.58 -0.17 -0.55 8.41 8.40 1lwuH1 HIS 195 HA -0.01 0.00 0.46 -0.75 4.63 4.34 1lwuH1 HIS 195 HB2 -0.01 0.09 0.07 -0.04 3.26 3.37 1lwuH1 HIS 195 HB3 -0.01 0.13 0.25 -0.04 3.20 3.52 1lwuH1 HIS 195 HD2 -0.01 -0.01 -0.02 -0.04 6.97 6.89 1lwuH1 HIS 195 HE1 -0.01 -0.01 -0.01 -0.04 7.75 7.68 1lwuH1 LEU 196 H 0.11 0.77 0.04 -0.55 8.37 8.75 1lwuH1 LEU 196 HA 0.12 -0.01 0.52 -0.75 4.35 4.23 1lwuH1 LEU 196 HB2 0.04 0.11 0.14 -0.04 1.64 1.89 1lwuH1 LEU 196 HB3 0.03 -0.05 0.01 -0.04 1.64 1.60 1lwuH1 LEU 196 HG 0.02 0.16 -0.03 -0.04 1.64 1.75 1lwuH1 LEU 196 HD13 0.00 -0.01 -0.05 -0.04 0.93 0.83 1lwuH1 LEU 196 HD23 0.02 -0.02 -0.00 -0.04 0.89 0.85 1lwuH1 ARG 197 H 0.03 0.58 -0.14 -0.55 8.46 8.38 1lwuH1 ARG 197 HA 0.01 -0.02 0.34 -0.75 4.34 3.92 1lwuH1 ARG 197 HB2 0.01 0.06 0.18 -0.04 1.90 2.11 1lwuH1 ARG 197 HB3 0.01 0.17 0.12 -0.04 1.80 2.06 1lwuH1 ARG 197 HG2 -0.00 -0.04 0.06 -0.04 1.67 1.65 1lwuH1 ARG 197 HG3 0.00 -0.03 0.08 -0.04 1.67 1.68 1lwuH1 ARG 197 HD2 -0.00 -0.03 0.01 -0.04 3.22 3.16 1lwuH1 ARG 197 HD3 0.00 -0.01 0.03 -0.04 3.22 3.20 1lwuH1 ALA 198 H 0.00 0.24 -1.03 -0.55 8.40 7.07 1lwuH1 ALA 198 HA -0.03 0.05 0.61 -0.75 4.34 4.22 1lwuH1 ALA 198 HB3 -0.10 0.09 0.14 -0.04 1.41 1.49 1lwuH1 LYS 199 H 0.02 0.48 0.21 -0.55 8.42 8.57 1lwuH1 LYS 199 HA 0.01 0.00 0.40 -0.75 4.32 3.97 1lwuH1 LYS 199 HB2 0.10 0.03 0.19 -0.04 1.87 2.15 1lwuH1 LYS 199 HB3 0.05 0.08 0.24 -0.04 1.79 2.11 1lwuH1 LYS 199 HG2 0.04 -0.01 0.00 -0.04 1.46 1.45 1lwuH1 LYS 199 HG3 0.02 -0.02 -0.14 -0.04 1.46 1.28 1lwuH1 LYS 199 HD2 0.02 -0.01 0.01 -0.04 1.69 1.67 1lwuH1 LYS 199 HD3 0.03 -0.01 0.08 -0.04 1.68 1.73 1lwuH1 LYS 199 HE2 0.06 -0.01 0.02 -0.04 2.99 3.02 1lwuH1 LYS 199 HE3 0.11 0.02 0.03 -0.04 2.99 3.10 1lwuH1 MET 200 H 0.01 0.66 -0.28 -0.55 8.47 8.32 1lwuH1 MET 200 HA 0.00 0.02 0.50 -0.75 4.52 4.29 1lwuH1 MET 200 HB2 0.01 0.11 -0.00 -0.04 2.15 2.22 1lwuH1 MET 200 HB3 0.00 -0.05 0.03 -0.04 2.03 1.97 1lwuH1 MET 200 HG2 0.01 -0.03 -0.03 -0.04 2.63 2.53 1lwuH1 MET 200 HG3 0.02 0.08 -0.02 -0.04 2.56 2.59 1lwuH1 MET 200 HE3 0.01 0.00 -0.13 -0.04 2.10 1.95 1lwuH1 GLN 201 H -0.01 0.33 -0.34 -0.55 8.47 7.92 1lwuH1 GLN 201 HA -0.01 0.00 0.55 -0.75 4.36 4.16 1lwuH1 GLN 201 HB2 -0.01 0.36 0.34 -0.04 2.15 2.81 1lwuH1 GLN 201 HB3 -0.02 0.04 0.29 -0.04 2.02 2.29 1lwuH1 GLN 201 HG2 -0.01 -0.02 0.04 -0.04 2.40 2.36 1lwuH1 GLN 201 HG3 -0.01 -0.05 -0.05 -0.04 2.39 2.23 1lwuH1 GLN 201 HE21 -0.01 -0.01 0.03 -0.04 6.97 6.94 1lwuH1 GLN 201 HE22 -0.01 -0.01 0.02 -0.04 7.69 7.65 1lwuH1 ARG 202 H -0.01 0.68 -0.08 -0.55 8.46 8.49 1lwuH1 ARG 202 HA -0.01 0.09 0.64 -0.75 4.34 4.30 1lwuH1 ARG 202 HB2 -0.02 -0.05 0.16 -0.04 1.90 1.96 1lwuH1 ARG 202 HB3 -0.02 -0.01 0.06 -0.04 1.80 1.79 1lwuH1 ARG 202 HG2 -0.02 0.16 0.04 -0.04 1.67 1.81 1lwuH1 ARG 202 HG3 -0.01 0.03 -0.16 -0.04 1.67 1.49 1lwuH1 ARG 202 HD2 -0.02 -0.03 0.01 -0.04 3.22 3.13 1lwuH1 ARG 202 HD3 -0.03 -0.02 -0.01 -0.04 3.22 3.11 1lwuH1 MET 203 H -0.01 0.23 -0.58 -0.55 8.47 7.57 1lwuH1 MET 203 HA -0.01 0.13 0.95 -0.75 4.52 4.84 1lwuH1 MET 203 HB2 -0.00 0.06 0.21 -0.04 2.15 2.38 1lwuH1 MET 203 HB3 -0.00 -0.05 0.02 -0.04 2.03 1.96 1lwuH1 MET 203 HG2 -0.01 -0.05 0.04 -0.04 2.63 2.57 1lwuH1 MET 203 HG3 -0.00 0.37 0.05 -0.04 2.56 2.94 1lwuH1 MET 203 HE3 0.01 0.01 -0.25 -0.04 2.10 1.82 1lwuH1 GLU 204 H -0.00 0.63 0.11 -0.55 8.60 8.79 1lwuH1 GLU 204 HA -0.00 0.03 0.45 -0.75 4.29 4.01 1lwuH1 GLU 204 HB2 -0.00 0.04 0.17 -0.04 2.09 2.26 1lwuH1 GLU 204 HB3 -0.00 0.10 0.12 -0.04 1.99 2.17 1lwuH1 GLU 204 HG2 -0.00 -0.01 -0.02 -0.04 2.34 2.26 1lwuH1 GLU 204 HG3 -0.00 -0.03 0.11 -0.04 2.34 2.38 1lwuH1 GLU 205 H -0.01 0.11 -0.66 -0.55 8.60 7.49 1lwuH1 GLU 205 HA -0.01 0.09 0.47 -0.75 4.29 4.10 1lwuH1 GLU 205 HB2 -0.01 0.05 0.07 -0.04 2.09 2.17 1lwuH1 GLU 205 HB3 -0.01 -0.01 0.05 -0.04 1.99 1.98 1lwuH1 GLU 205 HG2 -0.01 -0.05 -0.19 -0.04 2.34 2.05 1lwuH1 GLU 205 HG3 -0.01 -0.00 -0.03 -0.04 2.34 2.26 1lwuH1 ALA 206 H -0.01 0.24 -0.24 -0.55 8.40 7.84 1lwuH1 ALA 206 HA -0.01 0.02 0.39 -0.75 4.34 3.97 1lwuH1 ALA 206 HB3 -0.02 0.05 0.18 -0.04 1.41 1.58 1lwuH1 ILE 207 H -0.01 0.53 -0.10 -0.55 8.25 8.12 1lwuH1 ILE 207 HA -0.01 0.02 0.39 -0.75 4.18 3.83 1lwuH1 ILE 207 HB -0.00 0.07 0.06 -0.04 1.89 1.98 1lwuH1 ILE 207 HG12 -0.00 -0.03 0.03 -0.04 1.49 1.45 1lwuH1 ILE 207 HG13 -0.01 0.08 0.10 -0.04 1.21 1.34 1lwuH1 ILE 207 HG23 -0.00 -0.00 -0.05 -0.04 0.93 0.83 1lwuH1 ILE 207 HD13 -0.00 -0.01 -0.02 -0.04 0.88 0.81 1lwuH1 LYS 208 H -0.01 0.38 -0.38 -0.55 8.42 7.86 1lwuH1 LYS 208 HA -0.00 0.03 0.47 -0.75 4.32 4.07 1lwuH1 LYS 208 HB2 -0.00 0.07 0.17 -0.04 1.87 2.07 1lwuH1 LYS 208 HB3 -0.00 0.07 0.14 -0.04 1.79 1.95 1lwuH1 LYS 208 HG2 -0.00 -0.03 0.03 -0.04 1.46 1.42 1lwuH1 LYS 208 HG3 -0.00 -0.03 0.04 -0.04 1.46 1.43 1lwuH1 LYS 208 HD2 -0.00 -0.02 0.04 -0.04 1.69 1.67 1lwuH1 LYS 208 HD3 -0.00 -0.01 0.10 -0.04 1.68 1.73 1lwuH1 LYS 208 HE2 -0.00 0.03 0.03 -0.04 2.99 3.00 1lwuH1 LYS 208 HE3 -0.00 -0.02 0.02 -0.04 2.99 2.95 1lwuH1 THR 209 H -0.01 0.45 -0.33 -0.55 8.28 7.84 1lwuH1 THR 209 HA -0.01 0.07 0.64 -0.75 4.39 4.34 1lwuH1 THR 209 HB -0.01 0.16 0.22 -0.04 4.32 4.64 1lwuH1 THR 209 HG23 -0.01 -0.02 -0.12 -0.04 1.22 1.02 1lwuH1 GLN 210 H -0.01 0.64 0.15 -0.55 8.47 8.71 1lwuH1 GLN 210 HA -0.01 -0.02 0.39 -0.75 4.36 3.96 1lwuH1 GLN 210 HB2 -0.01 0.01 0.13 -0.04 2.15 2.24 1lwuH1 GLN 210 HB3 -0.01 0.08 0.07 -0.04 2.02 2.12 1lwuH1 GLN 210 HG2 -0.01 -0.01 -0.03 -0.04 2.40 2.31 1lwuH1 GLN 210 HG3 -0.00 0.02 -0.12 -0.04 2.39 2.25 1lwuH1 GLN 210 HE21 -0.02 -0.01 -0.01 -0.04 6.97 6.90 1lwuH1 GLN 210 HE22 -0.01 -0.00 -0.01 -0.04 7.69 7.62 1lwuH1 LYS 211 H -0.00 0.40 -0.43 -0.55 8.42 7.83 1lwuH1 LYS 211 HA -0.00 0.00 0.30 -0.75 4.32 3.86 1lwuH1 LYS 211 HB2 -0.00 0.15 0.14 -0.04 1.87 2.12 1lwuH1 LYS 211 HB3 -0.00 0.13 0.02 -0.04 1.79 1.89 1lwuH1 LYS 211 HG2 -0.00 -0.05 -0.03 -0.04 1.46 1.34 1lwuH1 LYS 211 HG3 -0.00 0.02 -0.20 -0.04 1.46 1.24 1lwuH1 LYS 211 HD2 -0.00 0.02 0.03 -0.04 1.69 1.71 1lwuH1 LYS 211 HD3 -0.00 -0.02 0.01 -0.04 1.68 1.62 1lwuH1 LYS 211 HE2 0.00 0.02 -0.02 -0.04 2.99 2.94 1lwuH1 LYS 211 HE3 0.00 -0.03 -0.01 -0.04 2.99 2.91 1lwuH1 GLU 212 H -0.00 0.29 -0.54 -0.55 8.60 7.80 1lwuH1 GLU 212 HA -0.00 0.03 0.41 -0.75 4.29 3.98 1lwuH1 GLU 212 HB2 -0.00 0.10 0.28 -0.04 2.09 2.42 1lwuH1 GLU 212 HB3 -0.00 -0.09 0.05 -0.04 1.99 1.91 1lwuH1 GLU 212 HG2 -0.00 0.40 0.31 -0.04 2.34 3.01 1lwuH1 GLU 212 HG3 -0.00 -0.11 0.11 -0.04 2.34 2.30 1lwuH1 LEU 213 H -0.00 0.45 0.13 -0.55 8.37 8.40 1lwuH1 LEU 213 HA -0.00 -0.02 0.41 -0.75 4.35 3.99 1lwuH1 LEU 213 HB2 -0.01 0.02 0.13 -0.04 1.64 1.74 1lwuH1 LEU 213 HB3 -0.01 -0.01 -0.01 -0.04 1.64 1.58 1lwuH1 LEU 213 HG -0.01 0.05 0.04 -0.04 1.64 1.68 1lwuH1 LEU 213 HD13 -0.01 -0.02 -0.02 -0.04 0.93 0.84 1lwuH1 LEU 213 HD23 -0.01 -0.01 0.05 -0.04 0.89 0.88 1lwuH1 CYS 214 H -0.00 0.77 -0.55 -0.55 8.50 8.17 1lwuH1 CYS 214 HA 0.00 0.07 0.54 -0.75 4.58 4.44 1lwuH1 CYS 214 HB2 -0.00 0.18 0.03 -0.04 2.97 3.14 1lwuH1 CYS 214 HB3 0.00 -0.11 0.10 -0.04 2.97 2.92 1lwuH1 SER 215 H -0.00 0.33 -0.61 -0.55 8.46 7.63 1lwuH1 SER 215 HA 0.00 -0.06 0.44 -0.75 4.49 4.12 1lwuH1 SER 215 HB2 -0.00 0.22 0.22 -0.04 3.95 4.35 1lwuH1 SER 215 HB3 0.00 -0.13 0.07 -0.04 3.93 3.83 1lwuH1 ALA 216 H 0.00 0.34 -0.13 -0.55 8.40 8.06 1lwuH1 ALA 216 HA 0.01 0.14 0.86 -0.75 4.34 4.59 1lwuH1 ALA 216 HB3 0.01 -0.02 0.05 -0.04 1.41 1.40 1lwuH1 PRO 217 HA 0.02 0.06 0.50 -0.51 4.44 4.51 1lwuH1 PRO 217 HB2 0.02 0.06 0.13 -0.04 2.28 2.46 1lwuH1 PRO 217 HB3 0.01 0.00 0.12 -0.04 2.02 2.12 1lwuH1 PRO 217 HG2 0.02 0.03 -0.09 -0.04 2.03 1.95 1lwuH1 PRO 217 HG3 0.01 -0.01 0.06 -0.04 2.03 2.05 1lwuH1 PRO 217 HD2 0.01 0.03 0.21 -0.04 3.68 3.89 1lwuH1 PRO 217 HD3 0.01 0.17 0.18 -0.04 3.65 3.97 1lwuH1 CYS 218 H 0.04 0.05 0.18 -0.55 8.50 8.21 1lwuH1 CYS 218 HA 0.03 0.18 0.71 -0.75 4.58 4.74 1lwuH1 CYS 218 HB2 0.07 -0.05 0.11 -0.04 2.97 3.06 1lwuH1 CYS 218 HB3 0.03 0.04 0.09 -0.04 2.97 3.09 1lwuH1 THR 219 H 0.06 0.24 0.19 -0.55 8.28 8.21 1lwuH1 THR 219 HA 0.05 0.14 0.69 -0.75 4.39 4.52 1lwuH1 THR 219 HB 0.03 0.02 -0.09 -0.04 4.32 4.24 1lwuH1 THR 219 HG23 0.02 0.03 -0.33 -0.04 1.22 0.90 1lwuH1 VAL 220 H 0.05 0.29 0.14 -0.55 8.24 8.17 1lwuH1 VAL 220 HA 0.08 0.08 0.96 -0.75 4.13 4.50 1lwuH1 VAL 220 HB 0.04 -0.06 0.05 -0.04 2.12 2.11 1lwuH1 VAL 220 HG13 0.12 0.04 0.03 -0.04 0.97 1.12 1lwuH1 VAL 220 HG23 0.01 0.02 0.13 -0.04 0.95 1.07 1lwuH1 ASN 221 H 0.04 0.13 0.08 -0.55 8.53 8.24 1lwuH1 ASN 221 HA 0.02 0.25 0.79 -0.75 4.76 5.07 1lwuH1 ASN 221 HB2 0.02 -0.01 0.02 -0.04 2.88 2.87 1lwuH1 ASN 221 HB3 0.01 0.04 0.12 -0.04 2.79 2.92 1lwuH1 ASN 221 HD21 0.03 0.05 -0.11 -0.04 7.03 6.96 1lwuH1 ASN 221 HD22 0.03 -0.02 -0.02 -0.04 7.74 7.69 1lwuH1 CYS 222 H 0.03 -0.08 -0.21 -0.55 8.50 7.69 1lwuH1 CYS 222 HA 0.01 0.01 0.41 -0.75 4.58 4.25 1lwuH1 CYS 222 HB2 0.00 0.05 -0.17 -0.04 2.97 2.81 1lwuH1 CYS 222 HB3 0.03 -0.20 -0.20 -0.04 2.97 2.56 1lwuH1 ARG 223 H -0.01 0.45 0.32 -0.55 8.46 8.67 1lwuH1 ARG 223 HA -0.01 0.12 0.41 -0.75 4.34 4.10 1lwuH1 ARG 223 HB2 -0.03 -0.05 0.03 -0.04 1.90 1.81 1lwuH1 ARG 223 HB3 -0.03 -0.05 0.15 -0.04 1.80 1.82 1lwuH1 ARG 223 HG2 -0.02 0.03 0.05 -0.04 1.67 1.69 1lwuH1 ARG 223 HG3 -0.01 0.00 0.14 -0.04 1.67 1.76 1lwuH1 ARG 223 HD2 -0.02 -0.08 -0.08 -0.04 3.22 3.00 1lwuH1 ARG 223 HD3 -0.02 0.00 -0.02 -0.04 3.22 3.14 1lwuH1 VAL 224 H -0.04 0.17 0.12 -0.55 8.24 7.93 1lwuH1 VAL 224 HA -0.02 0.24 0.92 -0.75 4.13 4.53 1lwuH1 VAL 224 HB 0.04 0.03 -0.03 -0.04 2.12 2.12 1lwuH1 VAL 224 HG13 -0.10 -0.01 -0.08 -0.04 0.97 0.74 1lwuH1 VAL 224 HG23 -0.20 0.01 -0.19 -0.04 0.95 0.53 1lwuH1 PRO 225 HA -0.10 -0.08 0.46 -0.51 4.44 4.21 1lwuH1 PRO 225 HB2 -0.14 0.14 0.08 -0.04 2.28 2.32 1lwuH1 PRO 225 HB3 -0.26 -0.06 0.07 -0.04 2.02 1.73 1lwuH1 PRO 225 HG2 -0.70 0.27 0.16 -0.04 2.03 1.72 1lwuH1 PRO 225 HG3 -0.34 -0.08 0.03 -0.04 2.03 1.59 1lwuH1 PRO 225 HD2 -0.04 0.07 0.20 -0.04 3.68 3.87 1lwuH1 PRO 225 HD3 -0.11 0.17 0.15 -0.04 3.65 3.82 1lwuH1 VAL 226 H -0.04 0.03 0.21 -0.55 8.24 7.88 1lwuH1 VAL 226 HA -0.04 0.12 0.46 -0.75 4.13 3.92 1lwuH1 VAL 226 HB -0.02 -0.07 0.16 -0.04 2.12 2.14 1lwuH1 VAL 226 HG13 -0.02 0.00 -0.09 -0.04 0.97 0.81 1lwuH1 VAL 226 HG23 -0.04 0.00 0.06 -0.04 0.95 0.94 1lwuH1 VAL 227 H 0.02 -0.09 -0.01 -0.55 8.24 7.61 1lwuH1 VAL 227 HA 0.02 0.07 0.38 -0.75 4.13 3.85 1lwuH1 VAL 227 HB 0.04 -0.02 0.07 -0.04 2.12 2.16 1lwuH1 VAL 227 HG13 0.21 -0.04 -0.12 -0.04 0.97 0.98 1lwuH1 VAL 227 HG23 0.02 0.02 -0.02 -0.04 0.95 0.93 1lwuH1 SER 228 H 0.02 0.27 0.25 -0.55 8.46 8.45 1lwuH1 SER 228 HA 0.07 0.07 0.45 -0.75 4.49 4.32 1lwuH1 SER 228 HB2 0.05 0.19 -0.12 -0.04 3.95 4.03 1lwuH1 SER 228 HB3 0.01 -0.06 -0.09 -0.04 3.93 3.75 1lwuH1 GLY 229 H -0.01 0.40 0.22 -0.55 8.43 8.49 1lwuH1 GLY 229 HA2 -0.01 0.11 0.32 -0.51 4.01 3.92 1lwuH1 GLY 229 HA3 -0.02 -0.04 0.26 -0.51 4.01 3.71 1lwuH1 MET 230 H -0.00 0.05 0.11 -0.55 8.47 8.09 1lwuH1 MET 230 HA -0.02 0.18 0.24 -0.75 4.52 4.16 1lwuH1 MET 230 HB2 0.03 -0.20 0.20 -0.04 2.15 2.14 1lwuH1 MET 230 HB3 0.04 0.07 0.05 -0.04 2.03 2.14 1lwuH1 MET 230 HG2 0.02 0.19 0.06 -0.04 2.63 2.85 1lwuH1 MET 230 HG3 0.00 -0.07 0.06 -0.04 2.56 2.51 1lwuH1 MET 230 HE3 0.04 0.04 0.07 -0.04 2.10 2.21 1lwuH1 HIS 231 H 0.07 -0.06 0.11 -0.55 8.41 7.99 1lwuH1 HIS 231 HA -0.05 0.26 0.59 -0.75 4.63 4.68 1lwuH1 HIS 231 HB2 -0.05 0.15 0.09 -0.04 3.26 3.41 1lwuH1 HIS 231 HB3 -0.08 -0.28 0.12 -0.04 3.20 2.92 1lwuH1 HIS 231 HD2 -0.02 0.12 -0.01 -0.04 6.97 7.02 1lwuH1 HIS 231 HE1 -0.20 0.41 0.52 -0.04 7.75 8.44 1lwuH1 CYS 232 H -0.54 0.26 0.10 -0.55 8.50 7.78 1lwuH1 CYS 232 HA -0.16 0.19 0.48 -0.75 4.58 4.34 1lwuH1 CYS 232 HB2 -0.11 0.13 -0.41 -0.04 2.97 2.53 1lwuH1 CYS 232 HB3 -0.12 -0.03 -0.32 -0.04 2.97 2.46 1lwuH1 GLU 233 H 0.59 0.13 0.08 -0.55 8.60 8.85 1lwuH1 GLU 233 HA -0.08 0.12 0.49 -0.75 4.29 4.07 1lwuH1 GLU 233 HB2 -0.27 0.22 0.25 -0.04 2.09 2.25 1lwuH1 GLU 233 HB3 -0.16 -0.16 0.18 -0.04 1.99 1.80 1lwuH1 GLU 233 HG2 -0.23 -0.05 0.03 -0.04 2.34 2.04 1lwuH1 GLU 233 HG3 -0.10 -0.02 -0.25 -0.04 2.34 1.93 1lwuH1 ASP 234 H 0.05 -0.05 -0.39 -0.55 8.40 7.47 1lwuH1 ASP 234 HA -0.01 0.11 0.30 -0.75 4.63 4.27 1lwuH1 ASP 234 HB2 0.02 -0.18 0.13 -0.04 2.71 2.63 1lwuH1 ASP 234 HB3 -0.01 0.13 -0.02 -0.04 2.70 2.76 1lwuH1 ILE 235 H -0.05 0.09 -0.64 -0.55 8.25 7.11 1lwuH1 ILE 235 HA -0.06 0.11 0.18 -0.75 4.18 3.66 1lwuH1 ILE 235 HB -0.25 0.10 0.08 -0.04 1.89 1.78 1lwuH1 ILE 235 HG12 -0.05 -0.08 -0.36 -0.04 1.49 0.96 1lwuH1 ILE 235 HG13 -0.10 0.12 -0.13 -0.04 1.21 1.06 1lwuH1 ILE 235 HG23 -0.51 0.01 -0.23 -0.04 0.93 0.16 1lwuH1 ILE 235 HD13 -0.14 0.04 -0.14 -0.04 0.88 0.59 1lwuH1 TYR 236 H 0.04 0.59 -0.12 -0.55 8.29 8.25 1lwuH1 TYR 236 HA -0.10 0.34 0.39 -0.75 4.56 4.44 1lwuH1 TYR 236 HB2 -0.11 -0.12 0.13 -0.04 3.06 2.92 1lwuH1 TYR 236 HB3 -0.09 0.11 0.19 -0.04 2.98 3.14 1lwuH1 TYR 236 HD2 -0.06 -0.02 -0.03 -0.04 7.15 6.99 1lwuH1 TYR 236 HE2 -0.03 0.01 -0.01 -0.04 6.85 6.78 1lwuH1 ARG 237 H 0.07 0.57 -0.11 -0.55 8.46 8.43 1lwuH1 ARG 237 HA -0.03 -0.01 0.30 -0.75 4.34 3.84 1lwuH1 ARG 237 HB2 -0.02 0.14 0.05 -0.04 1.90 2.03 1lwuH1 ARG 237 HB3 -0.02 -0.07 0.11 -0.04 1.80 1.79 1lwuH1 ARG 237 HG2 0.03 -0.04 0.02 -0.04 1.67 1.65 1lwuH1 ARG 237 HG3 0.04 0.39 0.07 -0.04 1.67 2.13 1lwuH1 ARG 237 HD2 -0.04 -0.10 -0.15 -0.04 3.22 2.89 1lwuH1 ARG 237 HD3 -0.02 -0.03 -0.02 -0.04 3.22 3.11 1lwuH1 ASN 238 H -0.06 0.36 -0.99 -0.55 8.53 7.30 1lwuH1 ASN 238 HA -0.05 0.15 0.92 -0.75 4.76 5.02 1lwuH1 ASN 238 HB2 -0.03 0.04 0.15 -0.04 2.88 3.00 1lwuH1 ASN 238 HB3 -0.02 -0.12 0.23 -0.04 2.79 2.84 1lwuH1 ASN 238 HD21 -0.02 -0.13 0.02 -0.04 7.03 6.86 1lwuH1 ASN 238 HD22 -0.02 0.30 0.12 -0.04 7.74 8.10 1lwuH1 GLY 239 H -0.15 0.69 -0.11 -0.55 8.43 8.31 1lwuH1 GLY 239 HA2 -0.14 -0.02 0.28 -0.51 4.01 3.63 1lwuH1 GLY 239 HA3 -0.06 0.11 0.76 -0.51 4.01 4.31 1lwuH1 GLY 240 H -0.07 0.53 -0.17 -0.55 8.43 8.17 1lwuH1 GLY 240 HA2 0.11 -0.03 0.52 -0.51 4.01 4.10 1lwuH1 GLY 240 HA3 -0.03 -0.00 0.17 -0.51 4.01 3.63 1lwuH1 ARG 241 H 0.02 0.15 0.23 -0.55 8.46 8.32 1lwuH1 ARG 241 HA 0.03 0.24 0.93 -0.75 4.34 4.79 1lwuH1 ARG 241 HB2 -0.03 -0.02 0.01 -0.04 1.90 1.82 1lwuH1 ARG 241 HB3 -0.01 -0.02 0.07 -0.04 1.80 1.80 1lwuH1 ARG 241 HG2 -0.18 0.14 -0.23 -0.04 1.67 1.36 1lwuH1 ARG 241 HG3 -0.20 -0.04 -0.07 -0.04 1.67 1.32 1lwuH1 ARG 241 HD2 -0.83 -0.02 -0.05 -0.04 3.22 2.28 1lwuH1 ARG 241 HD3 -0.46 0.22 -0.79 -0.04 3.22 2.15 1lwuH1 THR 242 H 0.12 0.03 0.04 -0.55 8.28 7.93 1lwuH1 THR 242 HA 0.08 0.15 0.74 -0.75 4.39 4.61 1lwuH1 THR 242 HB 0.05 0.08 -0.08 -0.04 4.32 4.32 1lwuH1 THR 242 HG23 0.03 0.00 -0.03 -0.04 1.22 1.18 1lwuH1 SER 243 H 0.09 0.14 0.13 -0.55 8.46 8.27 1lwuH1 SER 243 HA 0.06 0.14 0.68 -0.75 4.49 4.62 1lwuH1 SER 243 HB2 0.15 0.02 0.24 -0.04 3.95 4.32 1lwuH1 SER 243 HB3 0.29 0.16 0.15 -0.04 3.93 4.49 1lwuH1 GLU 244 H -0.18 0.37 0.30 -0.55 8.60 8.55 1lwuH1 GLU 244 HA -0.56 0.05 0.50 -0.75 4.29 3.52 1lwuH1 GLU 244 HB2 -0.20 0.04 -0.07 -0.04 2.09 1.82 1lwuH1 GLU 244 HB3 -0.09 0.08 -0.11 -0.04 1.99 1.83 1lwuH1 GLU 244 HG2 0.00 -0.02 -0.66 -0.04 2.34 1.62 1lwuH1 GLU 244 HG3 -0.56 0.11 -0.39 -0.04 2.34 1.45 1lwuH1 ALA 245 H -0.25 0.78 0.28 -0.55 8.40 8.67 1lwuH1 ALA 245 HA -0.19 0.09 0.59 -0.75 4.34 4.07 1lwuH1 ALA 245 HB3 -0.09 -0.03 0.03 -0.04 1.41 1.28 1lwuH1 TYR 246 H 0.02 0.63 0.48 -0.55 8.29 8.87 1lwuH1 TYR 246 HA -0.02 0.19 0.87 -0.75 4.56 4.85 1lwuH1 TYR 246 HB2 -0.10 -0.06 -0.01 -0.04 3.06 2.85 1lwuH1 TYR 246 HB3 -0.04 0.09 0.04 -0.04 2.98 3.03 1lwuH1 TYR 246 HD2 -0.12 0.20 -0.10 -0.04 7.15 7.10 1lwuH1 TYR 246 HE2 -0.09 -0.03 -0.07 -0.04 6.85 6.62 1lwuH1 TYR 247 H 0.24 0.31 0.17 -0.55 8.29 8.47 1lwuH1 TYR 247 HA -0.06 0.22 0.83 -0.75 4.56 4.79 1lwuH1 TYR 247 HB2 -0.03 0.07 0.07 -0.04 3.06 3.12 1lwuH1 TYR 247 HB3 -0.06 0.02 -0.14 -0.04 2.98 2.77 1lwuH1 TYR 247 HD2 -0.05 0.00 -0.29 -0.04 7.15 6.78 1lwuH1 TYR 247 HE2 -0.03 0.04 -0.09 -0.04 6.85 6.73 1lwuH1 ILE 248 H -0.27 0.62 0.28 -0.55 8.25 8.33 1lwuH1 ILE 248 HA -0.09 0.17 0.99 -0.75 4.18 4.50 1lwuH1 ILE 248 HB -0.20 0.31 -0.05 -0.04 1.89 1.91 1lwuH1 ILE 248 HG12 -0.44 0.07 -0.03 -0.04 1.49 1.04 1lwuH1 ILE 248 HG13 -0.98 -0.05 -0.12 -0.04 1.21 0.03 1lwuH1 ILE 248 HG23 -0.13 -0.08 -0.47 -0.04 0.93 0.21 1lwuH1 ILE 248 HD13 -0.16 -0.01 -0.09 -0.04 0.88 0.58 1lwuH1 GLN 249 H -0.10 0.63 0.26 -0.55 8.47 8.71 1lwuH1 GLN 249 HA -0.15 0.16 0.72 -0.75 4.36 4.33 1lwuH1 GLN 249 HB2 -0.03 0.00 -0.12 -0.04 2.15 1.97 1lwuH1 GLN 249 HB3 -0.02 -0.04 0.02 -0.04 2.02 1.94 1lwuH1 GLN 249 HG2 0.02 -0.14 -0.25 -0.04 2.40 2.00 1lwuH1 GLN 249 HG3 0.02 0.25 -0.17 -0.04 2.39 2.45 1lwuH1 GLN 249 HE21 0.03 -0.12 -0.07 -0.04 6.97 6.76 1lwuH1 GLN 249 HE22 0.03 0.74 0.04 -0.04 7.69 8.47 1lwuH1 PRO 250 HA 0.04 -0.01 0.59 -0.51 4.44 4.55 1lwuH1 PRO 250 HB2 0.11 0.03 -0.03 -0.04 2.28 2.35 1lwuH1 PRO 250 HB3 0.06 0.03 0.01 -0.04 2.02 2.08 1lwuH1 PRO 250 HG2 0.18 -0.02 0.05 -0.04 2.03 2.19 1lwuH1 PRO 250 HG3 0.17 0.03 0.01 -0.04 2.03 2.20 1lwuH1 PRO 250 HD2 -0.20 0.17 0.06 -0.04 3.68 3.67 1lwuH1 PRO 250 HD3 -0.22 0.24 0.03 -0.04 3.65 3.66 1lwuH1 ASP 251 H 0.11 0.22 -0.14 -0.55 8.40 8.04 1lwuH1 ASP 251 HA 0.20 0.17 0.91 -0.75 4.63 5.16 1lwuH1 ASP 251 HB2 0.17 0.05 0.10 -0.04 2.71 3.00 1lwuH1 ASP 251 HB3 0.57 -0.13 -0.04 -0.04 2.70 3.06 1lwuH1 LEU 252 H 0.16 0.20 0.09 -0.55 8.37 8.27 1lwuH1 LEU 252 HA 0.09 0.18 0.33 -0.75 4.35 4.19 1lwuH1 LEU 252 HB2 0.09 -0.03 0.10 -0.04 1.64 1.76 1lwuH1 LEU 252 HB3 0.09 0.01 0.03 -0.04 1.64 1.72 1lwuH1 LEU 252 HG 0.04 -0.02 0.02 -0.04 1.64 1.64 1lwuH1 LEU 252 HD13 0.04 0.01 0.01 -0.04 0.93 0.95 1lwuH1 LEU 252 HD23 0.05 0.02 -0.09 -0.04 0.89 0.83 1lwuH1 PHE 253 H 0.64 -0.00 -0.50 -0.55 8.34 7.92 1lwuH1 PHE 253 HA 0.03 0.20 0.74 -0.75 4.62 4.83 1lwuH1 PHE 253 HB2 0.03 0.01 0.11 -0.04 3.15 3.26 1lwuH1 PHE 253 HB3 0.03 -0.04 -0.02 -0.04 3.06 2.99 1lwuH1 PHE 253 HD2 0.04 -0.07 -0.06 -0.04 7.28 7.14 1lwuH1 PHE 253 HE2 0.06 -0.01 -0.04 -0.04 7.38 7.34 1lwuH1 PHE 253 HZ 0.06 -0.01 -0.04 -0.04 7.32 7.29 1lwuH1 SER 254 H 0.02 0.58 -0.27 -0.55 8.46 8.25 1lwuH1 SER 254 HA -0.24 0.09 0.84 -0.75 4.49 4.43 1lwuH1 SER 254 HB2 -0.06 0.03 0.06 -0.04 3.95 3.95 1lwuH1 SER 254 HB3 -0.14 0.02 0.05 -0.04 3.93 3.82 1lwuH1 GLU 255 H -0.03 0.03 0.10 -0.55 8.60 8.15 1lwuH1 GLU 255 HA 0.02 0.08 0.36 -0.75 4.29 4.00 1lwuH1 GLU 255 HB2 0.04 -0.04 0.04 -0.04 2.09 2.09 1lwuH1 GLU 255 HB3 0.05 0.11 0.12 -0.04 1.99 2.22 1lwuH1 GLU 255 HG2 -0.01 -0.07 0.09 -0.04 2.34 2.31 1lwuH1 GLU 255 HG3 0.01 -0.01 0.05 -0.04 2.34 2.34 1lwuH1 PRO 256 HA -0.06 0.24 0.76 -0.51 4.44 4.87 1lwuH1 PRO 256 HB2 0.18 -0.06 -0.06 -0.04 2.28 2.30 1lwuH1 PRO 256 HB3 0.03 0.03 -0.18 -0.04 2.02 1.86 1lwuH1 PRO 256 HG2 0.01 -0.00 0.01 -0.04 2.03 2.01 1lwuH1 PRO 256 HG3 0.01 0.07 -0.01 -0.04 2.03 2.06 1lwuH1 PRO 256 HD2 0.05 0.05 0.20 -0.04 3.68 3.94 1lwuH1 PRO 256 HD3 0.03 0.08 0.20 -0.04 3.65 3.92 1lwuH1 TYR 257 H -0.48 0.54 0.40 -0.55 8.29 8.20 1lwuH1 TYR 257 HA -0.10 0.15 0.97 -0.75 4.56 4.82 1lwuH1 TYR 257 HB2 -0.14 0.02 0.07 -0.04 3.06 2.97 1lwuH1 TYR 257 HB3 -0.07 0.04 -0.08 -0.04 2.98 2.83 1lwuH1 TYR 257 HD2 -0.09 0.18 -0.19 -0.04 7.15 7.01 1lwuH1 TYR 257 HE2 -0.05 -0.04 -0.05 -0.04 6.85 6.67 1lwuH1 LYS 258 H -0.31 0.10 0.17 -0.55 8.42 7.83 1lwuH1 LYS 258 HA -0.66 0.32 0.66 -0.75 4.32 3.88 1lwuH1 LYS 258 HB2 -0.62 -0.00 0.13 -0.04 1.87 1.34 1lwuH1 LYS 258 HB3 -0.30 -0.06 0.08 -0.04 1.79 1.47 1lwuH1 LYS 258 HG2 -0.25 -0.04 -0.08 -0.04 1.46 1.04 1lwuH1 LYS 258 HG3 -0.41 0.07 -0.07 -0.04 1.46 1.01 1lwuH1 LYS 258 HD2 -0.14 0.04 -0.02 -0.04 1.69 1.53 1lwuH1 LYS 258 HD3 -0.18 -0.08 -0.02 -0.04 1.68 1.35 1lwuH1 LYS 258 HE2 -0.07 -0.02 -0.04 -0.04 2.99 2.83 1lwuH1 LYS 258 HE3 -0.11 -0.09 -0.08 -0.04 2.99 2.67 1lwuH1 VAL 259 H -0.16 0.69 0.43 -0.55 8.24 8.65 1lwuH1 VAL 259 HA -0.14 0.10 0.61 -0.75 4.13 3.94 1lwuH1 VAL 259 HB 0.06 0.08 -0.26 -0.04 2.12 1.96 1lwuH1 VAL 259 HG13 -0.05 -0.02 -0.30 -0.04 0.97 0.55 1lwuH1 VAL 259 HG23 0.09 -0.01 0.02 -0.04 0.95 1.01 1lwuH1 PHE 260 H 0.25 0.25 0.12 -0.55 8.34 8.42 1lwuH1 PHE 260 HA 0.06 0.16 0.85 -0.75 4.62 4.93 1lwuH1 PHE 260 HB2 0.11 0.07 -0.01 -0.04 3.15 3.28 1lwuH1 PHE 260 HB3 0.23 -0.03 0.12 -0.04 3.06 3.34 1lwuH1 PHE 260 HD2 0.05 -0.02 -0.47 -0.04 7.28 6.80 1lwuH1 PHE 260 HE2 0.05 -0.11 -0.33 -0.04 7.38 6.95 1lwuH1 PHE 260 HZ 0.06 0.12 -0.17 -0.04 7.32 7.28 1lwuH1 CYS 261 H -0.21 0.53 0.25 -0.55 8.50 8.51 1lwuH1 CYS 261 HA 0.08 0.19 0.83 -0.75 4.58 4.92 1lwuH1 CYS 261 HB2 -0.19 0.09 0.11 -0.04 2.97 2.94 1lwuH1 CYS 261 HB3 -0.15 -0.05 -0.17 -0.04 2.97 2.55 1lwuH1 ASP 262 H 0.19 0.87 0.26 -0.55 8.40 9.17 1lwuH1 ASP 262 HA 0.25 0.11 0.84 -0.75 4.63 5.08 1lwuH1 ASP 262 HB2 0.20 0.09 -0.01 -0.04 2.71 2.95 1lwuH1 ASP 262 HB3 0.27 0.01 0.17 -0.04 2.70 3.10 1lwuH1 MET 263 H 0.12 0.22 -0.03 -0.55 8.47 8.23 1lwuH1 MET 263 HA 0.05 -0.12 0.78 -0.75 4.52 4.48 1lwuH1 MET 263 HB2 0.12 0.04 -0.47 -0.04 2.15 1.80 1lwuH1 MET 263 HB3 0.25 0.12 -0.04 -0.04 2.03 2.32 1lwuH1 MET 263 HG2 0.02 -0.10 -0.45 -0.04 2.63 2.05 1lwuH1 MET 263 HG3 0.04 0.17 -0.58 -0.04 2.56 2.14 1lwuH1 MET 263 HE3 -0.04 -0.14 -0.41 -0.04 2.10 1.47 1lwuH1 GLU 264 H 0.10 -0.08 -0.12 -0.55 8.60 7.96 1lwuH1 GLU 264 HA 0.06 0.31 0.87 -0.75 4.29 4.77 1lwuH1 GLU 264 HB2 0.05 -0.08 0.11 -0.04 2.09 2.13 1lwuH1 GLU 264 HB3 0.02 0.03 -0.03 -0.04 1.99 1.96 1lwuH1 GLU 264 HG2 0.05 0.06 -0.01 -0.04 2.34 2.40 1lwuH1 GLU 264 HG3 0.08 0.03 -0.20 -0.04 2.34 2.21 1lwuH1 SER 265 H 0.03 -0.01 -0.02 -0.55 8.46 7.91 1lwuH1 SER 265 HA -0.19 0.07 0.33 -0.75 4.49 3.95 1lwuH1 SER 265 HB2 -0.06 0.02 -0.07 -0.04 3.95 3.79 1lwuH1 SER 265 HB3 -0.20 0.02 -0.04 -0.04 3.93 3.68 1lwuH1 HIS 266 H -0.78 0.10 0.09 -0.55 8.41 7.27 1lwuH1 HIS 266 HA -0.05 0.02 0.31 -0.75 4.63 4.15 1lwuH1 HIS 266 HB2 0.08 0.06 -0.16 -0.04 3.26 3.20 1lwuH1 HIS 266 HB3 0.06 0.06 0.09 -0.04 3.20 3.36 1lwuH1 HIS 266 HD2 -0.51 -0.00 -0.16 -0.04 6.97 6.25 1lwuH1 HIS 266 HE1 -1.41 -0.01 -0.02 -0.04 7.75 6.26 1lwuH1 GLY 267 H -0.01 0.10 -0.39 -0.55 8.43 7.58 1lwuH1 GLY 267 HA2 -0.06 -0.05 0.24 -0.51 4.01 3.63 1lwuH1 GLY 267 HA3 -0.04 0.09 0.50 -0.51 4.01 4.04 1lwuH1 GLY 268 H 0.15 0.94 -0.43 -0.55 8.43 8.55 1lwuH1 GLY 268 HA2 0.12 0.00 0.14 -0.51 4.01 3.76 1lwuH1 GLY 268 HA3 -0.24 0.16 0.26 -0.51 4.01 3.68 1lwuH1 GLY 269 H -0.12 0.10 0.08 -0.55 8.43 7.95 1lwuH1 GLY 269 HA2 -0.12 -0.03 -0.04 -0.51 4.01 3.31 1lwuH1 GLY 269 HA3 -0.35 0.17 0.55 -0.51 4.01 3.87 1lwuH1 TRP 270 H 0.11 0.39 -0.19 -0.55 7.97 7.73 1lwuH1 TRP 270 HA 0.05 0.31 0.69 -0.75 4.62 4.92 1lwuH1 TRP 270 HB2 -0.01 0.00 0.09 -0.04 3.23 3.27 1lwuH1 TRP 270 HB3 -0.02 -0.05 -0.18 -0.04 3.23 2.94 1lwuH1 TRP 270 HD1 -0.05 -0.02 -0.30 -0.04 7.22 6.81 1lwuH1 TRP 270 HE1 -0.02 0.31 -0.21 -0.04 10.20 10.24 1lwuH1 TRP 270 HE3 -0.03 -0.07 -0.63 -0.04 7.59 6.81 1lwuH1 TRP 270 HZ2 -0.08 0.01 -0.16 -0.04 7.44 7.17 1lwuH1 TRP 270 HZ3 -0.06 0.25 -0.20 -0.04 7.13 7.08 1lwuH1 TRP 270 HH2 -0.05 0.03 -0.32 -0.04 7.19 6.81 1lwuH1 THR 271 H 0.14 0.79 0.38 -0.55 8.28 9.05 1lwuH1 THR 271 HA -0.01 0.08 0.65 -0.75 4.39 4.36 1lwuH1 THR 271 HB -0.18 -0.00 0.22 -0.04 4.32 4.31 1lwuH1 THR 271 HG23 -0.09 0.04 -0.16 -0.04 1.22 0.97 1lwuH1 VAL 272 H 0.15 0.58 0.32 -0.55 8.24 8.74 1lwuH1 VAL 272 HA -0.02 0.09 0.74 -0.75 4.13 4.19 1lwuH1 VAL 272 HB 0.27 0.06 0.26 -0.04 2.12 2.67 1lwuH1 VAL 272 HG13 -0.24 0.00 -0.13 -0.04 0.97 0.57 1lwuH1 VAL 272 HG23 0.11 -0.02 -0.02 -0.04 0.95 0.98 1lwuH1 VAL 273 H -0.16 0.63 0.47 -0.55 8.24 8.63 1lwuH1 VAL 273 HA -0.12 0.13 0.80 -0.75 4.13 4.18 1lwuH1 VAL 273 HB -0.27 -0.04 -0.01 -0.04 2.12 1.76 1lwuH1 VAL 273 HG13 -0.51 -0.01 -0.05 -0.04 0.97 0.37 1lwuH1 VAL 273 HG23 -0.10 0.04 -0.09 -0.04 0.95 0.75 1lwuH1 GLN 274 H -0.28 0.38 0.36 -0.55 8.47 8.39 1lwuH1 GLN 274 HA -0.27 0.42 0.85 -0.75 4.36 4.61 1lwuH1 GLN 274 HB2 -0.07 0.12 -0.03 -0.04 2.15 2.13 1lwuH1 GLN 274 HB3 0.04 -0.17 0.07 -0.04 2.02 1.92 1lwuH1 GLN 274 HG2 0.52 0.11 0.11 -0.04 2.40 3.09 1lwuH1 GLN 274 HG3 0.88 0.02 -0.04 -0.04 2.39 3.22 1lwuH1 GLN 274 HE21 -0.01 -0.07 -0.18 -0.04 6.97 6.67 1lwuH1 GLN 274 HE22 0.03 -0.00 -0.09 -0.04 7.69 7.58 1lwuH1 ASN 275 H -0.10 0.41 0.29 -0.55 8.53 8.59 1lwuH1 ASN 275 HA -0.15 0.14 0.91 -0.75 4.76 4.90 1lwuH1 ASN 275 HB2 -0.34 0.05 -0.13 -0.04 2.88 2.41 1lwuH1 ASN 275 HB3 -0.44 0.05 0.06 -0.04 2.79 2.43 1lwuH1 ASN 275 HD21 -0.21 -0.06 -0.26 -0.04 7.03 6.46 1lwuH1 ASN 275 HD22 -0.20 0.42 -0.09 -0.04 7.74 7.84 1lwuH1 ARG 276 H -0.09 1.02 0.49 -0.55 8.46 9.33 1lwuH1 ARG 276 HA -0.11 0.10 0.87 -0.75 4.34 4.45 1lwuH1 ARG 276 HB2 -0.00 -0.10 0.04 -0.04 1.90 1.80 1lwuH1 ARG 276 HB3 0.02 0.01 0.00 -0.04 1.80 1.80 1lwuH1 ARG 276 HG2 -0.13 -0.01 -0.07 -0.04 1.67 1.42 1lwuH1 ARG 276 HG3 -0.16 -0.04 -0.04 -0.04 1.67 1.39 1lwuH1 ARG 276 HD2 -0.38 0.12 -0.37 -0.04 3.22 2.54 1lwuH1 ARG 276 HD3 -0.91 -0.07 -0.09 -0.04 3.22 2.11 1lwuH1 VAL 277 H -0.19 -0.19 0.21 -0.55 8.24 7.52 1lwuH1 VAL 277 HA -0.06 0.28 0.57 -0.75 4.13 4.16 1lwuH1 VAL 277 HB -0.09 0.13 -0.31 -0.04 2.12 1.80 1lwuH1 VAL 277 HG13 -0.02 0.01 -0.31 -0.04 0.97 0.61 1lwuH1 VAL 277 HG23 -0.08 -0.01 0.10 -0.04 0.95 0.92 1lwuH1 ASP 278 H -0.42 -0.06 0.20 -0.55 8.40 7.58 1lwuH1 ASP 278 HA -0.24 0.10 0.44 -0.75 4.63 4.18 1lwuH1 ASP 278 HB2 0.07 0.00 0.04 -0.04 2.71 2.78 1lwuH1 ASP 278 HB3 0.06 0.24 0.22 -0.04 2.70 3.17 1lwuH1 GLY 279 H -0.25 0.23 0.11 -0.55 8.43 7.97 1lwuH1 GLY 279 HA2 -0.23 0.06 0.43 -0.51 4.01 3.76 1lwuH1 GLY 279 HA3 0.01 0.08 0.45 -0.51 4.01 4.04 1lwuH1 SER 280 H -0.02 0.95 0.10 -0.55 8.46 8.95 1lwuH1 SER 280 HA 0.07 0.12 0.40 -0.75 4.49 4.32 1lwuH1 SER 280 HB2 0.18 0.01 0.12 -0.04 3.95 4.22 1lwuH1 SER 280 HB3 0.10 -0.02 0.01 -0.04 3.93 3.99 1lwuH1 SER 281 H 0.17 0.13 -0.19 -0.55 8.46 8.03 1lwuH1 SER 281 HA 0.12 0.18 0.88 -0.75 4.49 4.91 1lwuH1 SER 281 HB2 0.38 -0.06 -0.11 -0.04 3.95 4.12 1lwuH1 SER 281 HB3 0.13 0.03 -0.06 -0.04 3.93 4.00 1lwuH1 ASN 282 H 0.02 0.16 0.09 -0.55 8.53 8.26 1lwuH1 ASN 282 HA 0.12 0.08 0.59 -0.75 4.76 4.79 1lwuH1 ASN 282 HB2 -0.03 0.06 0.06 -0.04 2.88 2.93 1lwuH1 ASN 282 HB3 -0.13 0.01 0.09 -0.04 2.79 2.72 1lwuH1 ASN 282 HD21 -0.17 0.09 -0.03 -0.04 7.03 6.88 1lwuH1 ASN 282 HD22 -0.13 0.01 -0.04 -0.04 7.74 7.54 1lwuH1 PHE 283 H 0.28 0.16 0.14 -0.55 8.34 8.37 1lwuH1 PHE 283 HA -0.03 0.18 0.85 -0.75 4.62 4.86 1lwuH1 PHE 283 HB2 0.10 0.09 0.01 -0.04 3.15 3.30 1lwuH1 PHE 283 HB3 0.22 0.09 0.22 -0.04 3.06 3.55 1lwuH1 PHE 283 HD2 0.22 0.08 -0.14 -0.04 7.28 7.39 1lwuH1 PHE 283 HE2 0.16 -0.02 -0.14 -0.04 7.38 7.33 1lwuH1 PHE 283 HZ 0.02 0.02 -0.13 -0.04 7.32 7.19 1lwuH1 ALA 284 H -0.03 -0.01 -0.08 -0.55 8.40 7.73 1lwuH1 ALA 284 HA 0.03 0.18 0.45 -0.75 4.34 4.25 1lwuH1 ALA 284 HB3 -0.11 0.01 0.11 -0.04 1.41 1.38 1lwuH1 ARG 285 H -0.04 0.52 -0.20 -0.55 8.46 8.19 1lwuH1 ARG 285 HA -0.33 0.19 0.91 -0.75 4.34 4.35 1lwuH1 ARG 285 HB2 -0.77 0.04 -0.14 -0.04 1.90 0.99 1lwuH1 ARG 285 HB3 -0.50 -0.08 -0.02 -0.04 1.80 1.16 1lwuH1 ARG 285 HG2 -1.01 -0.07 -0.52 -0.04 1.67 0.03 1lwuH1 ARG 285 HG3 -2.12 0.06 -0.16 -0.04 1.67 -0.60 1lwuH1 ARG 285 HD2 -0.44 -0.02 -0.18 -0.04 3.22 2.54 1lwuH1 ARG 285 HD3 -0.43 -0.11 -0.67 -0.04 3.22 1.96 1lwuH1 ASP 286 H -0.02 0.15 0.10 -0.55 8.40 8.08 1lwuH1 ASP 286 HA 0.40 0.00 0.33 -0.75 4.63 4.61 1lwuH1 ASP 286 HB2 0.29 -0.09 0.16 -0.04 2.71 3.02 1lwuH1 ASP 286 HB3 0.35 0.14 0.11 -0.04 2.70 3.25 1lwuH1 TRP 287 H 0.45 0.16 0.08 -0.55 7.97 8.12 1lwuH1 TRP 287 HA 0.19 0.14 0.31 -0.75 4.62 4.51 1lwuH1 TRP 287 HB2 0.14 0.02 -0.01 -0.04 3.23 3.34 1lwuH1 TRP 287 HB3 0.11 -0.00 0.06 -0.04 3.23 3.36 1lwuH1 TRP 287 HD1 0.09 -0.02 -0.26 -0.04 7.22 7.00 1lwuH1 TRP 287 HE1 0.11 -0.01 -0.09 -0.04 10.20 10.18 1lwuH1 TRP 287 HE3 0.19 -0.12 -0.14 -0.04 7.59 7.48 1lwuH1 TRP 287 HZ2 0.04 -0.04 -0.05 -0.04 7.44 7.35 1lwuH1 TRP 287 HZ3 0.26 0.25 -0.40 -0.04 7.13 7.21 1lwuH1 TRP 287 HH2 0.21 0.04 -0.10 -0.04 7.19 7.29 1lwuH1 ASN 288 H 0.30 0.09 -0.10 -0.55 8.53 8.27 1lwuH1 ASN 288 HA 0.16 0.11 0.39 -0.75 4.76 4.66 1lwuH1 ASN 288 HB2 0.13 -0.07 0.06 -0.04 2.88 2.96 1lwuH1 ASN 288 HB3 0.09 0.09 -0.04 -0.04 2.79 2.89 1lwuH1 ASN 288 HD21 0.13 0.06 0.01 -0.04 7.03 7.19 1lwuH1 ASN 288 HD22 0.12 0.00 0.02 -0.04 7.74 7.84 1lwuH1 THR 289 H 0.06 0.02 -0.37 -0.55 8.28 7.44 1lwuH1 THR 289 HA 0.01 0.14 0.40 -0.75 4.39 4.18 1lwuH1 THR 289 HB -0.16 0.06 -0.07 -0.04 4.32 4.11 1lwuH1 THR 289 HG23 -0.25 0.04 -0.15 -0.04 1.22 0.82 1lwuH1 TYR 290 H 0.08 0.46 -0.20 -0.55 8.29 8.08 1lwuH1 TYR 290 HA 0.16 0.10 0.38 -0.75 4.56 4.45 1lwuH1 TYR 290 HB2 -0.23 0.06 0.04 -0.04 3.06 2.89 1lwuH1 TYR 290 HB3 -0.60 -0.03 -0.09 -0.04 2.98 2.23 1lwuH1 TYR 290 HD2 -1.02 0.10 -0.02 -0.04 7.15 6.17 1lwuH1 TYR 290 HE2 -0.65 0.01 0.14 -0.04 6.85 6.32 1lwuH1 LYS 291 H -0.13 0.35 -0.45 -0.55 8.42 7.63 1lwuH1 LYS 291 HA -0.30 -0.09 0.57 -0.75 4.32 3.74 1lwuH1 LYS 291 HB2 -0.39 0.03 0.06 -0.04 1.87 1.53 1lwuH1 LYS 291 HB3 -0.09 0.20 0.17 -0.04 1.79 2.02 1lwuH1 LYS 291 HG2 -0.01 0.03 -0.21 -0.04 1.46 1.22 1lwuH1 LYS 291 HG3 0.01 -0.10 0.03 -0.04 1.46 1.36 1lwuH1 LYS 291 HD2 0.23 -0.02 -0.03 -0.04 1.69 1.82 1lwuH1 LYS 291 HD3 0.10 0.05 -0.01 -0.04 1.68 1.78 1lwuH1 LYS 291 HE2 0.09 0.03 -0.04 -0.04 2.99 3.03 1lwuH1 LYS 291 HE3 0.20 -0.06 -0.01 -0.04 2.99 3.08 1lwuH1 ALA 292 H -0.01 0.37 -0.05 -0.55 8.40 8.17 1lwuH1 ALA 292 HA -0.04 0.02 0.55 -0.75 4.34 4.12 1lwuH1 ALA 292 HB3 0.01 0.01 0.14 -0.04 1.41 1.52 1lwuH1 GLU 293 H 0.10 0.46 -0.04 -0.55 8.60 8.57 1lwuH1 GLU 293 HA 0.06 0.23 0.28 -0.75 4.29 4.11 1lwuH1 GLU 293 HB2 -0.14 -0.55 0.47 -0.04 2.09 1.84 1lwuH1 GLU 293 HB3 -0.08 0.09 0.27 -0.04 1.99 2.22 1lwuH1 GLU 293 HG2 -0.11 -0.05 0.05 -0.04 2.34 2.19 1lwuH1 GLU 293 HG3 -0.15 -0.19 0.22 -0.04 2.34 2.18 1lwuH1 PHE 294 H -0.25 0.48 0.26 -0.55 8.34 8.28 1lwuH1 PHE 294 HA -0.08 0.10 0.53 -0.75 4.62 4.42 1lwuH1 PHE 294 HB2 -0.17 -0.05 0.10 -0.04 3.15 2.99 1lwuH1 PHE 294 HB3 -0.16 0.13 -0.18 -0.04 3.06 2.81 1lwuH1 PHE 294 HD2 -0.36 0.05 -0.37 -0.04 7.28 6.56 1lwuH1 PHE 294 HE2 -1.95 -0.01 -0.15 -0.04 7.38 5.23 1lwuH1 PHE 294 HZ -0.97 0.02 0.04 -0.04 7.32 6.37 1lwuH1 GLY 295 H 0.11 0.13 0.16 -0.55 8.43 8.29 1lwuH1 GLY 295 HA2 0.10 -0.00 0.37 -0.51 4.01 3.96 1lwuH1 GLY 295 HA3 0.04 0.25 0.99 -0.51 4.01 4.79 1lwuH1 ASN 296 H 0.04 0.54 0.16 -0.55 8.53 8.73 1lwuH1 ASN 296 HA -0.14 0.15 0.86 -0.75 4.76 4.88 1lwuH1 ASN 296 HB2 -0.28 -0.06 0.03 -0.04 2.88 2.54 1lwuH1 ASN 296 HB3 -0.55 0.02 -0.13 -0.04 2.79 2.08 1lwuH1 ASN 296 HD21 0.19 0.04 -0.04 -0.04 7.03 7.17 1lwuH1 ASN 296 HD22 0.24 -0.01 -0.02 -0.04 7.74 7.91 1lwuH1 ILE 297 H -0.26 0.18 0.02 -0.55 8.25 7.64 1lwuH1 ILE 297 HA -0.62 0.10 0.26 -0.75 4.18 3.17 1lwuH1 ILE 297 HB -0.26 0.00 0.02 -0.04 1.89 1.61 1lwuH1 ILE 297 HG12 -0.39 0.12 -0.35 -0.04 1.49 0.82 1lwuH1 ILE 297 HG13 -0.91 -0.08 -0.14 -0.04 1.21 0.05 1lwuH1 ILE 297 HG23 -0.05 -0.01 -0.40 -0.04 0.93 0.43 1lwuH1 ILE 297 HD13 -0.69 0.01 -0.25 -0.04 0.88 -0.09 1lwuH1 ALA 298 H -0.23 0.22 -0.06 -0.55 8.40 7.78 1lwuH1 ALA 298 HA -0.13 0.19 0.35 -0.75 4.34 3.99 1lwuH1 ALA 298 HB3 0.20 -0.01 -0.35 -0.04 1.41 1.20 1lwuH1 PHE 299 H 0.11 0.69 0.15 -0.55 8.34 8.74 1lwuH1 PHE 299 HA 0.04 0.13 0.84 -0.75 4.62 4.87 1lwuH1 PHE 299 HB2 0.04 0.06 -0.02 -0.04 3.15 3.20 1lwuH1 PHE 299 HB3 0.03 0.01 0.03 -0.04 3.06 3.10 1lwuH1 PHE 299 HD2 0.03 0.07 -0.10 -0.04 7.28 7.23 1lwuH1 PHE 299 HE2 0.03 -0.01 -0.06 -0.04 7.38 7.30 1lwuH1 PHE 299 HZ 0.04 0.01 -0.03 -0.04 7.32 7.29 1lwuH1 GLY 300 H 0.20 0.17 0.12 -0.55 8.43 8.37 1lwuH1 GLY 300 HA2 0.07 -0.01 0.21 -0.51 4.01 3.77 1lwuH1 GLY 300 HA3 0.08 0.06 0.24 -0.51 4.01 3.88 1lwuH1 ASN 301 H 0.06 0.33 0.18 -0.55 8.53 8.55 1lwuH1 ASN 301 HA 0.07 0.18 0.47 -0.75 4.76 4.73 1lwuH1 ASN 301 HB2 0.05 0.06 0.19 -0.04 2.88 3.15 1lwuH1 ASN 301 HB3 0.06 0.08 0.28 -0.04 2.79 3.16 1lwuH1 ASN 301 HD21 0.02 -0.03 0.03 -0.04 7.03 7.01 1lwuH1 ASN 301 HD22 0.03 0.10 0.06 -0.04 7.74 7.88 1lwuH1 GLY 302 H 0.04 0.01 -0.79 -0.55 8.43 7.14 1lwuH1 GLY 302 HA2 0.02 0.07 0.25 -0.51 4.01 3.84 1lwuH1 GLY 302 HA3 0.02 0.24 0.85 -0.51 4.01 4.61 1lwuH1 LYS 303 H 0.02 0.07 -0.39 -0.55 8.42 7.57 1lwuH1 LYS 303 HA 0.01 0.18 0.51 -0.75 4.32 4.26 1lwuH1 LYS 303 HB2 0.01 -0.46 0.23 -0.04 1.87 1.61 1lwuH1 LYS 303 HB3 0.00 0.10 0.09 -0.04 1.79 1.94 1lwuH1 LYS 303 HG2 0.01 0.03 -0.01 -0.04 1.46 1.45 1lwuH1 LYS 303 HG3 0.01 0.03 0.03 -0.04 1.46 1.48 1lwuH1 LYS 303 HD2 0.01 0.03 -0.01 -0.04 1.69 1.67 1lwuH1 LYS 303 HD3 0.01 0.02 -0.00 -0.04 1.68 1.67 1lwuH1 LYS 303 HE2 0.01 0.04 -0.08 -0.04 2.99 2.91 1lwuH1 LYS 303 HE3 0.01 0.02 -0.37 -0.04 2.99 2.61 1lwuH1 SER 304 H 0.01 -0.03 0.13 -0.55 8.46 8.01 1lwuH1 SER 304 HA 0.02 0.08 0.28 -0.75 4.49 4.11 1lwuH1 SER 304 HB2 -0.00 -0.01 -0.13 -0.04 3.95 3.77 1lwuH1 SER 304 HB3 0.00 -0.06 0.21 -0.04 3.93 4.04 1lwuH1 ILE 305 H 0.01 -0.03 0.15 -0.55 8.25 7.84 1lwuH1 ILE 305 HA -0.03 0.27 0.84 -0.75 4.18 4.50 1lwuH1 ILE 305 HB -0.03 0.12 -0.05 -0.04 1.89 1.89 1lwuH1 ILE 305 HG12 0.00 -0.30 0.19 -0.04 1.49 1.34 1lwuH1 ILE 305 HG13 0.01 -0.03 0.19 -0.04 1.21 1.34 1lwuH1 ILE 305 HG23 -0.03 0.02 -0.09 -0.04 0.93 0.79 1lwuH1 ILE 305 HD13 0.00 0.05 0.01 -0.04 0.88 0.91 1lwuH1 CYS 306 H -0.03 0.35 0.01 -0.55 8.50 8.28 1lwuH1 CYS 306 HA 0.05 0.23 0.54 -0.75 4.58 4.65 1lwuH1 CYS 306 HB2 -0.03 0.14 0.09 -0.04 2.97 3.12 1lwuH1 CYS 306 HB3 0.00 -0.03 -0.04 -0.04 2.97 2.86 1lwuH1 ASN 307 H 0.08 0.34 0.21 -0.55 8.53 8.60 1lwuH1 ASN 307 HA 0.07 0.11 0.96 -0.75 4.76 5.15 1lwuH1 ASN 307 HB2 0.10 0.14 0.25 -0.04 2.88 3.32 1lwuH1 ASN 307 HB3 0.01 -0.04 -0.03 -0.04 2.79 2.69 1lwuH1 ASN 307 HD21 0.03 -0.05 0.04 -0.04 7.03 7.01 1lwuH1 ASN 307 HD22 0.01 -0.03 -0.05 -0.04 7.74 7.63 1lwuH1 ILE 308 H 0.17 0.19 0.02 -0.55 8.25 8.09 1lwuH1 ILE 308 HA 0.16 0.23 0.84 -0.75 4.18 4.64 1lwuH1 ILE 308 HB 0.22 -0.01 0.10 -0.04 1.89 2.16 1lwuH1 ILE 308 HG12 0.10 0.07 -0.02 -0.04 1.49 1.60 1lwuH1 ILE 308 HG13 0.11 -0.14 -0.09 -0.04 1.21 1.06 1lwuH1 ILE 308 HG23 0.21 0.03 -0.13 -0.04 0.93 1.00 1lwuH1 ILE 308 HD13 0.09 0.03 -0.11 -0.04 0.88 0.85 1lwuH1 PRO 309 HA -0.14 0.14 0.42 -0.51 4.44 4.35 1lwuH1 PRO 309 HB2 -0.49 0.10 -0.06 -0.04 2.28 1.79 1lwuH1 PRO 309 HB3 -1.70 -0.02 0.02 -0.04 2.02 0.29 1lwuH1 PRO 309 HG2 -0.13 0.01 0.00 -0.04 2.03 1.88 1lwuH1 PRO 309 HG3 -0.25 0.00 0.02 -0.04 2.03 1.76 1lwuH1 PRO 309 HD2 0.06 0.05 0.25 -0.04 3.68 4.00 1lwuH1 PRO 309 HD3 0.13 0.25 0.07 -0.04 3.65 4.06 1lwuH1 GLY 310 H -0.05 0.49 -0.03 -0.55 8.43 8.30 1lwuH1 GLY 310 HA2 0.11 0.14 0.81 -0.51 4.01 4.57 1lwuH1 GLY 310 HA3 -0.26 -0.03 0.09 -0.51 4.01 3.30 1lwuH1 GLU 311 H 0.13 0.03 0.12 -0.55 8.60 8.34 1lwuH1 GLU 311 HA 0.08 0.47 0.89 -0.75 4.29 4.97 1lwuH1 GLU 311 HB2 0.23 -0.10 0.16 -0.04 2.09 2.33 1lwuH1 GLU 311 HB3 0.44 0.05 0.11 -0.04 1.99 2.56 1lwuH1 GLU 311 HG2 0.02 0.02 0.00 -0.04 2.34 2.34 1lwuH1 GLU 311 HG3 0.07 -0.05 0.25 -0.04 2.34 2.57 1lwuH1 TYR 312 H -0.02 0.34 0.34 -0.55 8.29 8.39 1lwuH1 TYR 312 HA -0.23 0.11 0.50 -0.75 4.56 4.18 1lwuH1 TYR 312 HB2 -0.19 0.13 -0.14 -0.04 3.06 2.82 1lwuH1 TYR 312 HB3 -0.10 0.05 -0.62 -0.04 2.98 2.26 1lwuH1 TYR 312 HD2 -0.15 0.13 -0.45 -0.04 7.15 6.64 1lwuH1 TYR 312 HE2 -0.09 0.07 -0.05 -0.04 6.85 6.74 1lwuH1 TRP 313 H -0.38 0.68 0.19 -0.55 7.97 7.92 1lwuH1 TRP 313 HA -0.20 0.20 0.99 -0.75 4.62 4.85 1lwuH1 TRP 313 HB2 -0.60 -0.04 -0.01 -0.04 3.23 2.54 1lwuH1 TRP 313 HB3 -1.78 -0.08 0.16 -0.04 3.23 1.49 1lwuH1 TRP 313 HD1 -0.20 -0.15 -0.09 -0.04 7.22 6.74 1lwuH1 TRP 313 HE1 -0.15 -0.09 0.11 -0.04 10.20 10.02 1lwuH1 TRP 313 HE3 0.26 -0.07 0.06 -0.04 7.59 7.80 1lwuH1 TRP 313 HZ2 -0.17 -0.05 -0.05 -0.04 7.44 7.12 1lwuH1 TRP 313 HZ3 0.48 -0.09 -0.07 -0.04 7.13 7.41 1lwuH1 TRP 313 HH2 0.45 -0.06 -0.07 -0.04 7.19 7.47 1lwuH1 LEU 314 H -0.23 0.53 0.13 -0.55 8.37 8.25 1lwuH1 LEU 314 HA -0.15 -0.00 0.47 -0.75 4.35 3.92 1lwuH1 LEU 314 HB2 0.07 0.05 0.19 -0.04 1.64 1.91 1lwuH1 LEU 314 HB3 -0.29 -0.02 0.14 -0.04 1.64 1.43 1lwuH1 LEU 314 HG -0.27 -0.02 -0.01 -0.04 1.64 1.30 1lwuH1 LEU 314 HD13 -0.10 -0.00 0.05 -0.04 0.93 0.84 1lwuH1 LEU 314 HD23 -0.00 0.00 -0.07 -0.04 0.89 0.77 1lwuH1 GLY 315 H -0.20 0.15 0.16 -0.55 8.43 7.99 1lwuH1 GLY 315 HA2 0.05 0.09 0.02 -0.51 4.01 3.66 1lwuH1 GLY 315 HA3 -0.11 0.16 -0.10 -0.51 4.01 3.45 1lwuH1 THR 316 H 0.16 0.75 0.35 -0.55 8.28 8.98 1lwuH1 THR 316 HA -0.08 0.06 0.38 -0.75 4.39 3.99 1lwuH1 THR 316 HB -0.72 -0.10 0.06 -0.04 4.32 3.52 1lwuH1 THR 316 HG23 -0.85 -0.01 -0.17 -0.04 1.22 0.15 1lwuH1 LYS 317 H -0.26 0.36 -0.03 -0.55 8.42 7.94 1lwuH1 LYS 317 HA -0.04 -0.01 0.38 -0.75 4.32 3.89 1lwuH1 LYS 317 HB2 0.01 -0.06 0.09 -0.04 1.87 1.87 1lwuH1 LYS 317 HB3 -0.04 0.15 0.04 -0.04 1.79 1.90 1lwuH1 LYS 317 HG2 0.08 0.02 -0.03 -0.04 1.46 1.49 1lwuH1 LYS 317 HG3 0.09 0.02 -0.16 -0.04 1.46 1.37 1lwuH1 LYS 317 HD2 0.23 -0.02 0.11 -0.04 1.69 1.97 1lwuH1 LYS 317 HD3 0.28 -0.05 0.04 -0.04 1.68 1.90 1lwuH1 LYS 317 HE2 0.08 -0.06 0.03 -0.04 2.99 2.99 1lwuH1 LYS 317 HE3 0.11 0.02 0.01 -0.04 2.99 3.08 1lwuH1 THR 318 H -0.12 0.27 -0.36 -0.55 8.28 7.53 1lwuH1 THR 318 HA -0.03 0.02 0.40 -0.75 4.39 4.03 1lwuH1 THR 318 HB -0.22 0.19 0.05 -0.04 4.32 4.30 1lwuH1 THR 318 HG23 -0.23 -0.01 -0.17 -0.04 1.22 0.77 1lwuH1 VAL 319 H -0.09 0.64 -0.10 -0.55 8.24 8.13 1lwuH1 VAL 319 HA 0.05 -0.02 0.30 -0.75 4.13 3.70 1lwuH1 VAL 319 HB 0.05 0.13 0.12 -0.04 2.12 2.38 1lwuH1 VAL 319 HG13 0.25 -0.03 -0.12 -0.04 0.97 1.03 1lwuH1 VAL 319 HG23 -0.24 0.10 -0.09 -0.04 0.95 0.68 1lwuH1 HIS 320 H 0.12 0.75 -0.18 -0.55 8.41 8.55 1lwuH1 HIS 320 HA 0.13 0.06 0.32 -0.75 4.63 4.39 1lwuH1 HIS 320 HB2 0.25 0.02 -0.02 -0.04 3.26 3.48 1lwuH1 HIS 320 HB3 0.17 0.04 0.15 -0.04 3.20 3.52 1lwuH1 HIS 320 HD2 0.16 0.03 -0.22 -0.04 6.97 6.90 1lwuH1 HIS 320 HE1 0.11 -0.15 -0.17 -0.04 7.75 7.50 1lwuH1 GLN 321 H 0.25 0.64 -0.04 -0.55 8.47 8.77 1lwuH1 GLN 321 HA 0.13 -0.05 0.39 -0.75 4.36 4.08 1lwuH1 GLN 321 HB2 0.15 0.14 0.16 -0.04 2.15 2.56 1lwuH1 GLN 321 HB3 0.18 -0.07 0.01 -0.04 2.02 2.10 1lwuH1 GLN 321 HG2 0.27 0.19 0.12 -0.04 2.40 2.94 1lwuH1 GLN 321 HG3 0.19 -0.04 0.01 -0.04 2.39 2.50 1lwuH1 GLN 321 HE21 0.20 -0.02 -0.00 -0.04 6.97 7.11 1lwuH1 GLN 321 HE22 0.19 0.02 0.07 -0.04 7.69 7.93 1lwuH1 LEU 322 H 0.10 0.63 -0.38 -0.55 8.37 8.17 1lwuH1 LEU 322 HA 0.11 -0.05 0.31 -0.75 4.35 3.97 1lwuH1 LEU 322 HB2 0.10 0.14 0.13 -0.04 1.64 1.97 1lwuH1 LEU 322 HB3 0.13 0.04 0.01 -0.04 1.64 1.78 1lwuH1 LEU 322 HG 0.13 -0.03 -0.03 -0.04 1.64 1.68 1lwuH1 LEU 322 HD13 0.07 -0.03 -0.08 -0.04 0.93 0.85 1lwuH1 LEU 322 HD23 0.18 -0.02 -0.03 -0.04 0.89 0.98 1lwuH1 THR 323 H 0.04 0.50 -0.15 -0.55 8.28 8.12 1lwuH1 THR 323 HA 0.08 0.17 0.44 -0.75 4.39 4.33 1lwuH1 THR 323 HB 0.03 -0.04 0.20 -0.04 4.32 4.47 1lwuH1 THR 323 HG23 0.22 -0.01 -0.07 -0.04 1.22 1.31 1lwuH1 LYS 324 H -0.11 0.44 -0.18 -0.55 8.42 8.02 1lwuH1 LYS 324 HA -0.10 0.03 0.49 -0.75 4.32 3.98 1lwuH1 LYS 324 HB2 -0.43 0.07 0.03 -0.04 1.87 1.50 1lwuH1 LYS 324 HB3 -0.04 0.02 0.10 -0.04 1.79 1.83 1lwuH1 LYS 324 HG2 -0.03 -0.00 0.04 -0.04 1.46 1.43 1lwuH1 LYS 324 HG3 0.05 -0.09 -0.02 -0.04 1.46 1.35 1lwuH1 LYS 324 HD2 0.01 0.08 -0.32 -0.04 1.69 1.42 1lwuH1 LYS 324 HD3 0.04 -0.06 -0.06 -0.04 1.68 1.56 1lwuH1 LYS 324 HE2 0.11 0.05 -0.02 -0.04 2.99 3.09 1lwuH1 LYS 324 HE3 0.07 -0.02 -0.05 -0.04 2.99 2.95 1lwuH1 GLN 325 H 0.03 0.53 -0.10 -0.55 8.47 8.38 1lwuH1 GLN 325 HA 0.03 -0.05 0.37 -0.75 4.36 3.95 1lwuH1 GLN 325 HB2 0.08 -0.01 0.09 -0.04 2.15 2.28 1lwuH1 GLN 325 HB3 0.09 0.15 0.06 -0.04 2.02 2.28 1lwuH1 GLN 325 HG2 0.10 -0.01 -0.11 -0.04 2.40 2.35 1lwuH1 GLN 325 HG3 0.07 -0.07 0.07 -0.04 2.39 2.41 1lwuH1 GLN 325 HE21 0.10 -0.05 -0.04 -0.04 6.97 6.94 1lwuH1 GLN 325 HE22 0.10 0.10 -0.03 -0.04 7.69 7.82 1lwuH1 HIS 326 H 0.06 0.20 -0.57 -0.55 8.41 7.56 1lwuH1 HIS 326 HA 0.00 -0.03 0.29 -0.75 4.63 4.14 1lwuH1 HIS 326 HB2 0.00 -0.04 -0.36 -0.04 3.26 2.83 1lwuH1 HIS 326 HB3 -0.01 -0.02 0.01 -0.04 3.20 3.14 1lwuH1 HIS 326 HD2 -0.00 0.04 0.13 -0.04 6.97 7.09 1lwuH1 HIS 326 HE1 -0.01 -0.05 0.03 -0.04 7.75 7.67 1lwuH1 THR 327 H -0.01 0.05 0.13 -0.55 8.28 7.90 1lwuH1 THR 327 HA 0.07 0.07 0.53 -0.75 4.39 4.31 1lwuH1 THR 327 HB 0.09 -0.05 0.09 -0.04 4.32 4.40 1lwuH1 THR 327 HG23 0.07 0.05 0.05 -0.04 1.22 1.35 1lwuH1 GLN 328 H 0.17 0.35 0.39 -0.55 8.47 8.83 1lwuH1 GLN 328 HA 0.07 0.24 1.06 -0.75 4.36 4.97 1lwuH1 GLN 328 HB2 0.30 -0.09 -0.01 -0.04 2.15 2.31 1lwuH1 GLN 328 HB3 0.15 -0.07 0.12 -0.04 2.02 2.17 1lwuH1 GLN 328 HG2 0.15 0.07 -0.14 -0.04 2.40 2.43 1lwuH1 GLN 328 HG3 0.21 -0.10 -0.17 -0.04 2.39 2.29 1lwuH1 GLN 328 HE21 0.04 -0.22 -0.03 -0.04 6.97 6.72 1lwuH1 GLN 328 HE22 0.09 0.60 -0.01 -0.04 7.69 8.33 1lwuH1 GLN 329 H 0.10 0.77 0.53 -0.55 8.47 9.32 1lwuH1 GLN 329 HA 0.24 0.05 0.69 -0.75 4.36 4.58 1lwuH1 GLN 329 HB2 0.21 -0.00 0.10 -0.04 2.15 2.41 1lwuH1 GLN 329 HB3 0.11 0.21 0.10 -0.04 2.02 2.40 1lwuH1 GLN 329 HG2 -0.05 0.43 0.14 -0.04 2.40 2.88 1lwuH1 GLN 329 HG3 0.18 -0.19 0.00 -0.04 2.39 2.34 1lwuH1 GLN 329 HE21 -0.12 -0.08 -0.09 -0.04 6.97 6.64 1lwuH1 GLN 329 HE22 -0.18 0.22 -0.41 -0.04 7.69 7.28 1lwuH1 VAL 330 H 0.28 0.23 0.17 -0.55 8.24 8.38 1lwuH1 VAL 330 HA 0.03 0.41 1.11 -0.75 4.13 4.92 1lwuH1 VAL 330 HB -0.91 0.00 -0.01 -0.04 2.12 1.16 1lwuH1 VAL 330 HG13 0.43 -0.02 0.00 -0.04 0.97 1.34 1lwuH1 VAL 330 HG23 -0.45 0.00 -0.01 -0.04 0.95 0.46 1lwuH1 LEU 331 H -0.29 0.40 0.35 -0.55 8.37 8.28 1lwuH1 LEU 331 HA -0.05 0.07 0.87 -0.75 4.35 4.48 1lwuH1 LEU 331 HB2 -0.76 0.08 -0.12 -0.04 1.64 0.80 1lwuH1 LEU 331 HB3 -1.61 0.05 -0.06 -0.04 1.64 -0.02 1lwuH1 LEU 331 HG -0.60 -0.04 -0.65 -0.04 1.64 0.32 1lwuH1 LEU 331 HD13 -0.60 -0.03 -0.16 -0.04 0.93 0.10 1lwuH1 LEU 331 HD23 -1.42 0.00 -0.21 -0.04 0.89 -0.78 1lwuH1 PHE 332 H 0.26 0.66 0.27 -0.55 8.34 8.98 1lwuH1 PHE 332 HA -0.16 0.39 1.16 -0.75 4.62 5.25 1lwuH1 PHE 332 HB2 -0.29 -0.03 0.17 -0.04 3.15 2.95 1lwuH1 PHE 332 HB3 -0.36 -0.01 -0.01 -0.04 3.06 2.63 1lwuH1 PHE 332 HD2 0.20 0.08 -0.01 -0.04 7.28 7.51 1lwuH1 PHE 332 HE2 0.44 0.00 -0.08 -0.04 7.38 7.70 1lwuH1 PHE 332 HZ 0.42 0.02 -0.07 -0.04 7.32 7.65 1lwuH1 ASP 333 H -0.15 0.48 0.28 -0.55 8.40 8.47 1lwuH1 ASP 333 HA -0.07 0.24 1.02 -0.75 4.63 5.06 1lwuH1 ASP 333 HB2 -0.13 -0.01 0.10 -0.04 2.71 2.62 1lwuH1 ASP 333 HB3 -0.06 0.03 -0.05 -0.04 2.70 2.58 1lwuH1 MET 334 H -0.31 0.54 0.29 -0.55 8.47 8.44 1lwuH1 MET 334 HA -0.12 0.35 0.98 -0.75 4.52 4.99 1lwuH1 MET 334 HB2 -0.04 0.03 0.10 -0.04 2.15 2.21 1lwuH1 MET 334 HB3 -0.20 -0.07 -0.03 -0.04 2.03 1.70 1lwuH1 MET 334 HG2 -0.62 0.06 -0.01 -0.04 2.63 2.03 1lwuH1 MET 334 HG3 -0.64 -0.06 -0.11 -0.04 2.56 1.72 1lwuH1 MET 334 HE3 -1.59 -0.00 -0.22 -0.04 2.10 0.25 1lwuH1 SER 335 H -0.03 0.67 0.43 -0.55 8.46 8.98 1lwuH1 SER 335 HA 0.03 0.21 1.11 -0.75 4.49 5.09 1lwuH1 SER 335 HB2 -0.11 -0.08 0.09 -0.04 3.95 3.82 1lwuH1 SER 335 HB3 -0.05 0.09 0.06 -0.04 3.93 3.99 1lwuH1 ASP 336 H 0.37 0.48 0.25 -0.55 8.40 8.94 1lwuH1 ASP 336 HA 0.40 0.10 0.63 -0.75 4.63 5.01 1lwuH1 ASP 336 HB2 0.14 0.04 0.08 -0.04 2.71 2.93 1lwuH1 ASP 336 HB3 0.00 0.07 0.02 -0.04 2.70 2.75 1lwuH1 TRP 337 H 0.71 0.23 0.06 -0.55 7.97 8.42 1lwuH1 TRP 337 HA -0.03 0.17 0.62 -0.75 4.62 4.63 1lwuH1 TRP 337 HB2 0.03 0.06 0.00 -0.04 3.23 3.29 1lwuH1 TRP 337 HB3 -0.08 0.04 0.18 -0.04 3.23 3.33 1lwuH1 TRP 337 HD1 -0.29 -0.05 -0.03 -0.04 7.22 6.81 1lwuH1 TRP 337 HE1 -0.46 0.50 -0.48 -0.04 10.20 9.72 1lwuH1 TRP 337 HE3 -0.34 0.06 0.08 -0.04 7.59 7.35 1lwuH1 TRP 337 HZ2 -0.95 0.19 0.02 -0.04 7.44 6.66 1lwuH1 TRP 337 HZ3 -1.66 0.06 0.06 -0.04 7.13 5.56 1lwuH1 TRP 337 HH2 -2.09 0.04 0.06 -0.04 7.19 5.15 1lwuH1 GLU 338 H 0.13 0.01 -0.80 -0.55 8.60 7.40 1lwuH1 GLU 338 HA 0.10 0.25 0.75 -0.75 4.29 4.63 1lwuH1 GLU 338 HB2 0.04 -0.07 -0.01 -0.04 2.09 2.00 1lwuH1 GLU 338 HB3 0.04 0.05 0.16 -0.04 1.99 2.20 1lwuH1 GLU 338 HG2 0.10 0.11 -0.04 -0.04 2.34 2.47 1lwuH1 GLU 338 HG3 0.20 -0.14 -0.74 -0.04 2.34 1.62 1lwuH1 GLY 339 H 0.03 0.21 -0.03 -0.55 8.43 8.10 1lwuH1 GLY 339 HA2 0.02 0.04 0.30 -0.51 4.01 3.86 1lwuH1 GLY 339 HA3 0.03 0.11 0.39 -0.51 4.01 4.03 1lwuH1 SER 340 H 0.11 -0.09 -0.32 -0.55 8.46 7.61 1lwuH1 SER 340 HA 0.08 0.25 0.92 -0.75 4.49 4.99 1lwuH1 SER 340 HB2 0.30 -0.13 -0.02 -0.04 3.95 4.06 1lwuH1 SER 340 HB3 0.31 0.04 0.03 -0.04 3.93 4.27 1lwuH1 SER 341 H -0.03 0.28 0.18 -0.55 8.46 8.34 1lwuH1 SER 341 HA -0.21 0.11 0.93 -0.75 4.49 4.57 1lwuH1 SER 341 HB2 -0.12 -0.05 0.02 -0.04 3.95 3.76 1lwuH1 SER 341 HB3 -0.17 0.11 0.05 -0.04 3.93 3.88 1lwuH1 VAL 342 H -0.83 0.39 0.28 -0.55 8.24 7.53 1lwuH1 VAL 342 HA -0.97 0.20 1.03 -0.75 4.13 3.63 1lwuH1 VAL 342 HB -0.80 -0.10 -0.06 -0.04 2.12 1.12 1lwuH1 VAL 342 HG13 -0.90 0.03 -0.18 -0.04 0.97 -0.12 1lwuH1 VAL 342 HG23 -1.85 0.00 -0.05 -0.04 0.95 -0.99 1lwuH1 TYR 343 H -0.56 -0.02 0.28 -0.55 8.29 7.44 1lwuH1 TYR 343 HA -0.30 0.51 1.08 -0.75 4.56 5.09 1lwuH1 TYR 343 HB2 -0.24 -0.12 0.07 -0.04 3.06 2.73 1lwuH1 TYR 343 HB3 -0.35 0.04 0.13 -0.04 2.98 2.76 1lwuH1 TYR 343 HD2 -0.07 0.03 -0.04 -0.04 7.15 7.03 1lwuH1 TYR 343 HE2 -0.03 0.03 -0.07 -0.04 6.85 6.73 1lwuH1 ALA 344 H -0.08 0.26 0.10 -0.55 8.40 8.13 1lwuH1 ALA 344 HA -0.08 0.14 0.63 -0.75 4.34 4.27 1lwuH1 ALA 344 HB3 0.12 0.01 0.03 -0.04 1.41 1.53 1lwuH1 GLN 345 H -0.25 0.51 0.36 -0.55 8.47 8.54 1lwuH1 GLN 345 HA 0.25 0.15 1.17 -0.75 4.36 5.18 1lwuH1 GLN 345 HB2 0.03 0.32 0.14 -0.04 2.15 2.60 1lwuH1 GLN 345 HB3 -0.19 -0.16 0.14 -0.04 2.02 1.76 1lwuH1 GLN 345 HG2 -0.24 -0.15 0.07 -0.04 2.40 2.04 1lwuH1 GLN 345 HG3 -0.13 0.06 -0.06 -0.04 2.39 2.21 1lwuH1 GLN 345 HE21 -0.51 0.04 -0.06 -0.04 6.97 6.41 1lwuH1 GLN 345 HE22 -0.53 -0.14 -0.05 -0.04 7.69 6.93 1lwuH1 TYR 346 H 0.43 0.50 0.28 -0.55 8.29 8.94 1lwuH1 TYR 346 HA 0.14 0.45 0.87 -0.75 4.56 5.26 1lwuH1 TYR 346 HB2 0.27 -0.03 0.13 -0.04 3.06 3.39 1lwuH1 TYR 346 HB3 0.20 -0.08 0.07 -0.04 2.98 3.13 1lwuH1 TYR 346 HD2 0.26 0.01 -0.29 -0.04 7.15 7.09 1lwuH1 TYR 346 HE2 0.21 -0.01 -0.15 -0.04 6.85 6.85 1lwuH1 ALA 347 H 0.12 0.46 0.46 -0.55 8.40 8.89 1lwuH1 ALA 347 HA 0.12 0.03 0.47 -0.75 4.34 4.20 1lwuH1 ALA 347 HB3 0.07 -0.02 0.14 -0.04 1.41 1.56 1lwuH1 SER 348 H 0.24 0.18 -0.12 -0.55 8.46 8.22 1lwuH1 SER 348 HA 0.16 0.42 1.03 -0.75 4.49 5.34 1lwuH1 SER 348 HB2 0.10 0.00 -0.15 -0.04 3.95 3.86 1lwuH1 SER 348 HB3 0.13 -0.16 0.02 -0.04 3.93 3.88 1lwuH1 PHE 349 H 0.25 1.06 0.43 -0.55 8.34 9.53 1lwuH1 PHE 349 HA 0.07 0.08 0.90 -0.75 4.62 4.92 1lwuH1 PHE 349 HB2 0.14 -0.16 -0.15 -0.04 3.15 2.93 1lwuH1 PHE 349 HB3 0.10 0.01 -0.27 -0.04 3.06 2.85 1lwuH1 PHE 349 HD2 0.03 -0.02 -0.15 -0.04 7.28 7.11 1lwuH1 PHE 349 HE2 -0.09 -0.01 -0.13 -0.04 7.38 7.12 1lwuH1 PHE 349 HZ -0.02 0.01 -0.12 -0.04 7.32 7.14 1lwuH1 ARG 350 H -0.53 0.15 0.08 -0.55 8.46 7.61 1lwuH1 ARG 350 HA -0.19 0.09 0.49 -0.75 4.34 3.98 1lwuH1 ARG 350 HB2 -0.00 0.09 0.15 -0.04 1.90 2.09 1lwuH1 ARG 350 HB3 0.01 -0.04 -0.30 -0.04 1.80 1.43 1lwuH1 ARG 350 HG2 0.17 -0.06 -0.43 -0.04 1.67 1.30 1lwuH1 ARG 350 HG3 0.03 0.10 -0.27 -0.04 1.67 1.49 1lwuH1 ARG 350 HD2 -0.01 -0.03 -0.10 -0.04 3.22 3.03 1lwuH1 ARG 350 HD3 0.02 -0.05 -0.14 -0.04 3.22 3.01 1lwuH1 PRO 351 HA -0.07 0.54 0.88 -0.51 4.44 5.29 1lwuH1 PRO 351 HB2 0.29 0.13 -0.19 -0.04 2.28 2.46 1lwuH1 PRO 351 HB3 -0.19 -0.10 -0.17 -0.04 2.02 1.51 1lwuH1 PRO 351 HG2 0.27 0.01 -0.03 -0.04 2.03 2.23 1lwuH1 PRO 351 HG3 0.14 -0.03 -0.14 -0.04 2.03 1.96 1lwuH1 PRO 351 HD2 -0.06 0.13 0.15 -0.04 3.68 3.85 1lwuH1 PRO 351 HD3 -0.37 0.03 -0.08 -0.04 3.65 3.19 1lwuH1 GLU 352 H 0.16 0.49 0.02 -0.55 8.60 8.73 1lwuH1 GLU 352 HA 0.28 0.09 0.45 -0.75 4.29 4.36 1lwuH1 GLU 352 HB2 0.20 0.12 0.10 -0.04 2.09 2.47 1lwuH1 GLU 352 HB3 0.15 -0.05 0.02 -0.04 1.99 2.07 1lwuH1 GLU 352 HG2 0.27 0.06 -0.02 -0.04 2.34 2.60 1lwuH1 GLU 352 HG3 0.23 0.03 0.01 -0.04 2.34 2.57 1lwuH1 ASN 353 H 0.18 0.10 0.09 -0.55 8.53 8.36 1lwuH1 ASN 353 HA -0.75 0.19 0.37 -0.75 4.76 3.82 1lwuH1 ASN 353 HB2 -0.17 -0.09 0.14 -0.04 2.88 2.72 1lwuH1 ASN 353 HB3 0.01 0.14 0.10 -0.04 2.79 3.00 1lwuH1 ASN 353 HD21 0.05 0.05 -0.01 -0.04 7.03 7.09 1lwuH1 ASN 353 HD22 0.10 0.09 0.04 -0.04 7.74 7.92 1lwuH1 GLU 354 H -0.47 0.21 0.13 -0.55 8.60 7.93 1lwuH1 GLU 354 HA -1.24 0.07 0.32 -0.75 4.29 2.69 1lwuH1 GLU 354 HB2 -0.36 0.05 0.09 -0.04 2.09 1.83 1lwuH1 GLU 354 HB3 -0.14 -0.01 0.12 -0.04 1.99 1.92 1lwuH1 GLU 354 HG2 0.05 0.03 -0.29 -0.04 2.34 2.10 1lwuH1 GLU 354 HG3 0.33 0.00 -0.03 -0.04 2.34 2.60 1lwuH1 ALA 355 H -0.11 0.09 -0.18 -0.55 8.40 7.64 1lwuH1 ALA 355 HA -0.04 0.08 0.35 -0.75 4.34 3.98 1lwuH1 ALA 355 HB3 -0.02 0.01 0.03 -0.04 1.41 1.39 1lwuH1 GLN 356 H -0.07 0.31 -0.77 -0.55 8.47 7.40 1lwuH1 GLN 356 HA 0.02 0.22 0.79 -0.75 4.36 4.64 1lwuH1 GLN 356 HB2 0.06 0.00 -0.01 -0.04 2.15 2.16 1lwuH1 GLN 356 HB3 0.08 0.02 0.14 -0.04 2.02 2.23 1lwuH1 GLN 356 HG2 0.03 -0.13 -0.20 -0.04 2.40 2.06 1lwuH1 GLN 356 HG3 0.09 -0.01 -0.02 -0.04 2.39 2.40 1lwuH1 GLN 356 HE21 0.03 0.02 -0.05 -0.04 6.97 6.94 1lwuH1 GLN 356 HE22 0.03 -0.07 -0.12 -0.04 7.69 7.48 1lwuH1 GLY 357 H -0.00 0.79 -0.24 -0.55 8.43 8.43 1lwuH1 GLY 357 HA2 0.37 0.02 0.30 -0.51 4.01 4.19 1lwuH1 GLY 357 HA3 0.20 0.07 0.37 -0.51 4.01 4.14 1lwuH1 TYR 358 H -0.14 0.27 -0.50 -0.55 8.29 7.38 1lwuH1 TYR 358 HA 0.21 0.54 0.02 -0.75 4.56 4.57 1lwuH1 TYR 358 HB2 0.24 0.05 -0.29 -0.04 3.06 3.01 1lwuH1 TYR 358 HB3 0.31 -0.01 0.04 -0.04 2.98 3.28 1lwuH1 TYR 358 HD2 -0.08 0.17 -0.19 -0.04 7.15 7.01 1lwuH1 TYR 358 HE2 -0.20 0.00 -0.06 -0.04 6.85 6.55 1lwuH1 ARG 359 H 0.15 0.21 -0.41 -0.55 8.46 7.87 1lwuH1 ARG 359 HA 0.10 0.24 0.53 -0.75 4.34 4.46 1lwuH1 ARG 359 HB2 -0.01 0.12 0.05 -0.04 1.90 2.02 1lwuH1 ARG 359 HB3 -0.06 -0.23 0.06 -0.04 1.80 1.53 1lwuH1 ARG 359 HG2 -1.14 0.01 -0.31 -0.04 1.67 0.19 1lwuH1 ARG 359 HG3 -0.40 0.21 -0.52 -0.04 1.67 0.93 1lwuH1 ARG 359 HD2 0.03 -0.17 -0.02 -0.04 3.22 3.01 1lwuH1 ARG 359 HD3 -0.51 0.10 0.09 -0.04 3.22 2.86 1lwuH1 LEU 360 H -0.40 0.57 0.28 -0.55 8.37 8.27 1lwuH1 LEU 360 HA -0.72 0.07 0.54 -0.75 4.35 3.48 1lwuH1 LEU 360 HB2 -2.48 0.02 0.06 -0.04 1.64 -0.80 1lwuH1 LEU 360 HB3 -0.85 0.12 0.12 -0.04 1.64 0.99 1lwuH1 LEU 360 HG -0.53 -0.16 -0.25 -0.04 1.64 0.66 1lwuH1 LEU 360 HD13 -0.82 -0.06 -0.07 -0.04 0.93 -0.06 1lwuH1 LEU 360 HD23 -0.73 0.01 -0.13 -0.04 0.89 -0.01 1lwuH1 TRP 361 H -0.41 0.13 0.09 -0.55 7.97 7.23 1lwuH1 TRP 361 HA -0.14 -0.02 0.78 -0.75 4.62 4.48 1lwuH1 TRP 361 HB2 -0.16 0.31 0.18 -0.04 3.23 3.52 1lwuH1 TRP 361 HB3 -0.08 -0.05 0.05 -0.04 3.23 3.10 1lwuH1 TRP 361 HD1 -0.05 -0.01 -0.20 -0.04 7.22 6.92 1lwuH1 TRP 361 HE1 -0.00 -0.07 -0.07 -0.04 10.20 10.02 1lwuH1 TRP 361 HE3 -0.05 -0.05 0.14 -0.04 7.59 7.58 1lwuH1 TRP 361 HZ2 0.00 -0.02 0.01 -0.04 7.44 7.39 1lwuH1 TRP 361 HZ3 -0.01 -0.03 -0.02 -0.04 7.13 7.02 1lwuH1 TRP 361 HH2 -0.00 -0.01 0.03 -0.04 7.19 7.17 1lwuH1 VAL 362 H 0.06 0.03 0.11 -0.55 8.24 7.89 1lwuH1 VAL 362 HA 0.14 0.54 1.14 -0.75 4.13 5.19 1lwuH1 VAL 362 HB 0.01 -0.02 0.13 -0.04 2.12 2.20 1lwuH1 VAL 362 HG13 -0.03 -0.02 -0.05 -0.04 0.97 0.83 1lwuH1 VAL 362 HG23 -0.18 -0.05 -0.14 -0.04 0.95 0.55 1lwuH1 GLU 363 H 0.33 0.34 0.28 -0.55 8.60 9.01 1lwuH1 GLU 363 HA 0.25 0.01 0.52 -0.75 4.29 4.31 1lwuH1 GLU 363 HB2 0.12 0.19 -0.18 -0.04 2.09 2.17 1lwuH1 GLU 363 HB3 0.13 0.01 -0.03 -0.04 1.99 2.06 1lwuH1 GLU 363 HG2 0.06 0.04 -0.02 -0.04 2.34 2.39 1lwuH1 GLU 363 HG3 0.09 -0.01 -0.15 -0.04 2.34 2.24 1lwuH1 ASP 364 H 0.18 0.14 0.15 -0.55 8.40 8.32 1lwuH1 ASP 364 HA 0.09 0.01 0.49 -0.75 4.63 4.47 1lwuH1 ASP 364 HB2 0.09 0.02 0.29 -0.04 2.71 3.07 1lwuH1 ASP 364 HB3 0.03 0.10 0.16 -0.04 2.70 2.95 1lwuH1 TYR 365 H 0.13 0.03 0.16 -0.55 8.29 8.05 1lwuH1 TYR 365 HA -0.71 0.27 0.61 -0.75 4.56 3.97 1lwuH1 TYR 365 HB2 -0.26 -0.09 0.06 -0.04 3.06 2.73 1lwuH1 TYR 365 HB3 -0.07 0.02 0.10 -0.04 2.98 2.98 1lwuH1 TYR 365 HD2 -0.29 0.06 -0.12 -0.04 7.15 6.76 1lwuH1 TYR 365 HE2 0.04 0.08 -0.14 -0.04 6.85 6.78 1lwuH1 SER 366 H -1.69 0.22 0.27 -0.55 8.46 6.72 1lwuH1 SER 366 HA -0.53 0.04 0.46 -0.75 4.49 3.71 1lwuH1 SER 366 HB2 -0.22 -0.05 0.11 -0.04 3.95 3.75 1lwuH1 SER 366 HB3 -0.21 0.26 0.09 -0.04 3.93 4.02 1lwuH1 GLY 367 H -0.29 0.26 0.21 -0.55 8.43 8.06 1lwuH1 GLY 367 HA2 -0.11 0.08 0.32 -0.51 4.01 3.79 1lwuH1 GLY 367 HA3 -0.24 0.12 0.87 -0.51 4.01 4.25 1lwuH1 ASN 368 H -0.11 0.07 0.22 -0.55 8.53 8.16 1lwuH1 ASN 368 HA 0.03 0.26 1.01 -0.75 4.76 5.31 1lwuH1 ASN 368 HB2 -0.09 0.08 0.20 -0.04 2.88 3.03 1lwuH1 ASN 368 HB3 -0.05 0.03 0.03 -0.04 2.79 2.76 1lwuH1 ASN 368 HD21 -0.48 0.09 0.13 -0.04 7.03 6.73 1lwuH1 ASN 368 HD22 -0.13 0.05 0.07 -0.04 7.74 7.69 1lwuH1 ALA 369 H -0.07 0.36 0.22 -0.55 8.40 8.36 1lwuH1 ALA 369 HA -0.47 0.15 0.67 -0.75 4.34 3.93 1lwuH1 ALA 369 HB3 -0.61 -0.05 -0.03 -0.04 1.41 0.68 1lwuH1 GLY 370 H 0.41 -0.03 -0.19 -0.55 8.43 8.08 1lwuH1 GLY 370 HA2 0.08 0.03 0.26 -0.51 4.01 3.86 1lwuH1 GLY 370 HA3 0.25 0.30 0.79 -0.51 4.01 4.84 1lwuH1 ASN 371 H -0.71 0.23 0.02 -0.55 8.53 7.52 1lwuH1 ASN 371 HA -0.53 0.02 0.37 -0.75 4.76 3.86 1lwuH1 ASN 371 HB2 -1.40 0.04 0.10 -0.04 2.88 1.58 1lwuH1 ASN 371 HB3 -0.36 0.12 0.15 -0.04 2.79 2.66 1lwuH1 ASN 371 HD21 0.18 -0.08 -0.04 -0.04 7.03 7.05 1lwuH1 ASN 371 HD22 0.01 -0.02 -0.15 -0.04 7.74 7.54 1lwuH1 ALA 372 H 0.08 0.76 0.33 -0.55 8.40 9.02 1lwuH1 ALA 372 HA -0.18 0.17 0.16 -0.75 4.34 3.74 1lwuH1 ALA 372 HB3 -0.88 -0.01 -0.09 -0.04 1.41 0.39 1lwuH1 LEU 373 H 0.10 0.08 -0.16 -0.55 8.37 7.85 1lwuH1 LEU 373 HA 0.12 0.13 0.50 -0.75 4.35 4.35 1lwuH1 LEU 373 HB2 -0.36 -0.05 0.04 -0.04 1.64 1.23 1lwuH1 LEU 373 HB3 -0.22 0.04 -0.05 -0.04 1.64 1.37 1lwuH1 LEU 373 HG -0.18 -0.02 -0.01 -0.04 1.64 1.39 1lwuH1 LEU 373 HD13 -0.42 0.02 -0.06 -0.04 0.93 0.42 1lwuH1 LEU 373 HD23 0.05 0.01 -0.06 -0.04 0.89 0.85 1lwuH1 LEU 374 H 0.16 0.08 -0.09 -0.55 8.37 7.97 1lwuH1 LEU 374 HA 0.03 0.25 1.07 -0.75 4.35 4.95 1lwuH1 LEU 374 HB2 0.11 0.10 0.16 -0.04 1.64 1.97 1lwuH1 LEU 374 HB3 0.11 0.01 -0.02 -0.04 1.64 1.70 1lwuH1 LEU 374 HG 0.45 -0.13 -0.03 -0.04 1.64 1.88 1lwuH1 LEU 374 HD13 0.15 0.02 -0.13 -0.04 0.93 0.93 1lwuH1 LEU 374 HD23 0.28 -0.01 -0.12 -0.04 0.89 1.00 1lwuH1 GLU 375 H -0.00 0.12 -0.21 -0.55 8.60 7.96 1lwuH1 GLU 375 HA -0.01 0.19 0.86 -0.75 4.29 4.57 1lwuH1 GLU 375 HB2 -0.04 -0.22 -0.00 -0.04 2.09 1.79 1lwuH1 GLU 375 HB3 -0.07 0.19 0.01 -0.04 1.99 2.07 1lwuH1 GLU 375 HG2 -0.03 0.03 0.07 -0.04 2.34 2.38 1lwuH1 GLU 375 HG3 -0.01 0.01 0.05 -0.04 2.34 2.35 1lwuH1 GLY 376 H -0.06 -0.03 -0.20 -0.55 8.43 7.59 1lwuH1 GLY 376 HA2 -0.13 0.29 0.12 -0.51 4.01 3.78 1lwuH1 GLY 376 HA3 -0.09 0.16 0.07 -0.51 4.01 3.64 1lwuH1 ALA 377 H -0.12 0.22 0.05 -0.55 8.40 8.01 1lwuH1 ALA 377 HA -0.09 -0.07 0.42 -0.75 4.34 3.85 1lwuH1 ALA 377 HB3 -0.10 0.01 0.08 -0.04 1.41 1.37 1lwuH1 THR 378 H -0.04 0.12 0.14 -0.55 8.28 7.96 1lwuH1 THR 378 HA -0.03 0.19 0.33 -0.75 4.39 4.12 1lwuH1 THR 378 HB -0.00 0.01 0.07 -0.04 4.32 4.35 1lwuH1 THR 378 HG23 -0.02 0.01 0.02 -0.04 1.22 1.19 1lwuH1 GLN 379 H -0.02 -0.03 -0.46 -0.55 8.47 7.42 1lwuH1 GLN 379 HA -0.01 0.11 0.40 -0.75 4.36 4.11 1lwuH1 GLN 379 HB2 -0.01 0.00 0.08 -0.04 2.15 2.18 1lwuH1 GLN 379 HB3 0.00 0.02 0.00 -0.04 2.02 2.00 1lwuH1 GLN 379 HG2 -0.01 -0.08 -0.15 -0.04 2.40 2.11 1lwuH1 GLN 379 HG3 -0.04 0.07 -0.24 -0.04 2.39 2.14 1lwuH1 GLN 379 HE21 -0.01 -0.11 0.01 -0.04 6.97 6.82 1lwuH1 GLN 379 HE22 -0.02 0.06 -0.08 -0.04 7.69 7.61 1lwuH1 LEU 380 H -0.04 0.45 -0.67 -0.55 8.37 7.57 1lwuH1 LEU 380 HA -0.03 0.10 0.79 -0.75 4.35 4.45 1lwuH1 LEU 380 HB2 -0.06 0.19 -0.06 -0.04 1.64 1.68 1lwuH1 LEU 380 HB3 -0.05 -0.11 -0.28 -0.04 1.64 1.15 1lwuH1 LEU 380 HG -0.07 -0.12 -0.21 -0.04 1.64 1.20 1lwuH1 LEU 380 HD13 -0.11 0.01 -0.15 -0.04 0.93 0.64 1lwuH1 LEU 380 HD23 -0.05 0.02 -0.07 -0.04 0.89 0.74 1lwuH1 MET 381 H -0.03 0.13 0.11 -0.55 8.47 8.15 1lwuH1 MET 381 HA -0.02 0.29 1.01 -0.75 4.52 5.05 1lwuH1 MET 381 HB2 -0.01 -0.03 0.04 -0.04 2.15 2.11 1lwuH1 MET 381 HB3 -0.01 -0.03 0.06 -0.04 2.03 2.01 1lwuH1 MET 381 HG2 -0.01 0.01 -0.20 -0.04 2.63 2.39 1lwuH1 MET 381 HG3 -0.01 -0.01 -0.05 -0.04 2.56 2.45 1lwuH1 MET 381 HE3 -0.01 -0.04 0.06 -0.04 2.10 2.08 1lwuH1 GLY 382 H -0.01 0.19 0.15 -0.55 8.43 8.21 1lwuH1 GLY 382 HA2 -0.01 0.10 0.34 -0.51 4.01 3.94 1lwuH1 GLY 382 HA3 -0.01 0.04 0.40 -0.51 4.01 3.92 1lwuH1 ASP 383 H -0.01 0.16 0.18 -0.55 8.40 8.18 1lwuH1 ASP 383 HA -0.02 0.06 0.32 -0.75 4.63 4.24 1lwuH1 ASP 383 HB2 -0.01 -0.01 0.11 -0.04 2.71 2.76 1lwuH1 ASP 383 HB3 -0.01 0.07 0.02 -0.04 2.70 2.73 1lwuH1 ASN 384 H -0.03 0.19 -0.29 -0.55 8.53 7.85 1lwuH1 ASN 384 HA -0.06 0.08 0.34 -0.75 4.76 4.36 1lwuH1 ASN 384 HB2 -0.04 0.25 0.12 -0.04 2.88 3.17 1lwuH1 ASN 384 HB3 -0.06 -0.01 -0.07 -0.04 2.79 2.61 1lwuH1 ASN 384 HD21 -0.04 -0.01 0.01 -0.04 7.03 6.96 1lwuH1 ASN 384 HD22 -0.05 0.00 0.01 -0.04 7.74 7.67 1lwuH1 ARG 385 H -0.04 0.27 -0.64 -0.55 8.46 7.50 1lwuH1 ARG 385 HA -0.07 0.04 0.22 -0.75 4.34 3.78 1lwuH1 ARG 385 HB2 -0.04 -0.06 -0.46 -0.04 1.90 1.30 1lwuH1 ARG 385 HB3 -0.03 -0.05 -0.08 -0.04 1.80 1.59 1lwuH1 ARG 385 HG2 -0.06 -0.13 -0.31 -0.04 1.67 1.13 1lwuH1 ARG 385 HG3 -0.04 0.24 -0.06 -0.04 1.67 1.76 1lwuH1 ARG 385 HD2 -0.03 0.03 -0.14 -0.04 3.22 3.04 1lwuH1 ARG 385 HD3 -0.02 -0.07 -0.02 -0.04 3.22 3.07 1lwuH1 THR 386 H -0.04 0.29 -0.18 -0.55 8.28 7.81 1lwuH1 THR 386 HA -0.04 0.02 0.15 -0.75 4.39 3.77 1lwuH1 THR 386 HB -0.02 0.01 -0.01 -0.04 4.32 4.26 1lwuH1 THR 386 HG23 -0.01 0.00 -0.05 -0.04 1.22 1.12 1lwuH1 MET 387 H -0.06 0.40 -0.68 -0.55 8.47 7.58 1lwuH1 MET 387 HA -0.06 0.08 0.56 -0.75 4.52 4.35 1lwuH1 MET 387 HB2 -0.08 -0.03 0.20 -0.04 2.15 2.19 1lwuH1 MET 387 HB3 -0.05 -0.10 0.06 -0.04 2.03 1.89 1lwuH1 MET 387 HG2 -0.07 0.19 0.18 -0.04 2.63 2.88 1lwuH1 MET 387 HG3 -0.12 0.09 0.00 -0.04 2.56 2.49 1lwuH1 MET 387 HE3 -0.03 -0.02 -0.08 -0.04 2.10 1.93 1lwuH1 THR 388 H -0.11 0.38 -0.58 -0.55 8.28 7.42 1lwuH1 THR 388 HA -0.19 0.25 0.61 -0.75 4.39 4.31 1lwuH1 THR 388 HB -0.18 -0.21 -0.36 -0.04 4.32 3.53 1lwuH1 THR 388 HG23 -0.16 0.06 -0.16 -0.04 1.22 0.91 1lwuH1 ILE 389 H -0.14 0.41 -0.08 -0.55 8.25 7.90 1lwuH1 ILE 389 HA -0.16 -0.04 0.66 -0.75 4.18 3.88 1lwuH1 ILE 389 HB -0.06 0.15 0.12 -0.04 1.89 2.06 1lwuH1 ILE 389 HG12 -0.05 -0.18 -0.59 -0.04 1.49 0.62 1lwuH1 ILE 389 HG13 -0.07 0.00 -0.24 -0.04 1.21 0.86 1lwuH1 ILE 389 HG23 -0.02 -0.04 -0.08 -0.04 0.93 0.75 1lwuH1 ILE 389 HD13 -0.02 0.02 -0.13 -0.04 0.88 0.72 1lwuH1 HIS 390 H -0.09 0.27 0.40 -0.55 8.41 8.44 1lwuH1 HIS 390 HA -0.01 0.25 0.67 -0.75 4.63 4.79 1lwuH1 HIS 390 HB2 -0.05 -0.15 0.18 -0.04 3.26 3.20 1lwuH1 HIS 390 HB3 -0.10 -0.03 0.08 -0.04 3.20 3.11 1lwuH1 HIS 390 HD2 -0.00 -0.05 -0.03 -0.04 6.97 6.85 1lwuH1 HIS 390 HE1 0.52 0.13 0.14 -0.04 7.75 8.49 1lwuH1 ASN 391 H -0.02 0.42 0.12 -0.55 8.53 8.51 1lwuH1 ASN 391 HA -0.19 -0.10 0.28 -0.75 4.76 3.99 1lwuH1 ASN 391 HB2 0.01 -0.14 -0.02 -0.04 2.88 2.69 1lwuH1 ASN 391 HB3 0.03 0.06 0.07 -0.04 2.79 2.91 1lwuH1 ASN 391 HD21 0.46 0.03 -0.02 -0.04 7.03 7.45 1lwuH1 ASN 391 HD22 0.20 0.01 -0.08 -0.04 7.74 7.82 1lwuH1 GLY 392 H -0.66 0.28 0.17 -0.55 8.43 7.67 1lwuH1 GLY 392 HA2 -2.31 0.09 0.45 -0.51 4.01 1.73 1lwuH1 GLY 392 HA3 -0.58 -0.01 0.45 -0.51 4.01 3.36 1lwuH1 MET 393 H -0.28 0.46 -0.36 -0.55 8.47 7.74 1lwuH1 MET 393 HA -0.08 0.07 0.57 -0.75 4.52 4.32 1lwuH1 MET 393 HB2 0.04 0.02 0.06 -0.04 2.15 2.22 1lwuH1 MET 393 HB3 0.07 0.04 -0.07 -0.04 2.03 2.03 1lwuH1 MET 393 HG2 -0.05 0.14 -0.14 -0.04 2.63 2.54 1lwuH1 MET 393 HG3 0.04 -0.04 -0.10 -0.04 2.56 2.42 1lwuH1 MET 393 HE3 0.04 -0.03 0.11 -0.04 2.10 2.18 1lwuH1 GLN 394 H 0.07 0.21 0.16 -0.55 8.47 8.36 1lwuH1 GLN 394 HA 0.25 0.15 0.80 -0.75 4.36 4.81 1lwuH1 GLN 394 HB2 0.09 0.08 0.13 -0.04 2.15 2.41 1lwuH1 GLN 394 HB3 0.17 0.05 0.02 -0.04 2.02 2.22 1lwuH1 GLN 394 HG2 0.12 0.18 0.07 -0.04 2.40 2.73 1lwuH1 GLN 394 HG3 0.04 -0.03 -0.09 -0.04 2.39 2.28 1lwuH1 GLN 394 HE21 0.00 -0.05 -0.04 -0.04 6.97 6.83 1lwuH1 GLN 394 HE22 0.05 0.00 -0.05 -0.04 7.69 7.66 1lwuH1 PHE 395 H 0.47 0.78 0.14 -0.55 8.34 9.18 1lwuH1 PHE 395 HA -0.48 -0.00 0.25 -0.75 4.62 3.63 1lwuH1 PHE 395 HB2 -0.05 0.17 0.00 -0.04 3.15 3.23 1lwuH1 PHE 395 HB3 0.16 -0.09 -0.11 -0.04 3.06 2.98 1lwuH1 PHE 395 HD2 -1.34 0.00 -0.26 -0.04 7.28 5.64 1lwuH1 PHE 395 HE2 -1.32 -0.03 -0.14 -0.04 7.38 5.84 1lwuH1 PHE 395 HZ -1.64 0.13 -0.27 -0.04 7.32 5.51 1lwuH1 SER 396 H -0.60 0.43 0.33 -0.55 8.46 8.07 1lwuH1 SER 396 HA 0.31 0.31 0.97 -0.75 4.49 5.32 1lwuH1 SER 396 HB2 0.28 0.00 0.15 -0.04 3.95 4.35 1lwuH1 SER 396 HB3 0.23 -0.09 0.22 -0.04 3.93 4.25 1lwuH1 THR 397 H 0.37 0.51 0.23 -0.55 8.28 8.85 1lwuH1 THR 397 HA 0.18 0.34 0.96 -0.75 4.39 5.12 1lwuH1 THR 397 HB 0.37 0.01 0.02 -0.04 4.32 4.69 1lwuH1 THR 397 HG23 0.29 0.02 -0.27 -0.04 1.22 1.23 1lwuH1 PHE 398 H 0.35 0.31 -0.09 -0.55 8.34 8.36 1lwuH1 PHE 398 HA -0.05 0.12 0.15 -0.75 4.62 4.09 1lwuH1 PHE 398 HB2 0.08 0.12 -0.22 -0.04 3.15 3.09 1lwuH1 PHE 398 HB3 0.12 -0.20 -0.18 -0.04 3.06 2.76 1lwuH1 PHE 398 HD2 0.04 -0.07 -0.10 -0.04 7.28 7.11 1lwuH1 PHE 398 HE2 0.04 0.00 -0.04 -0.04 7.38 7.33 1lwuH1 PHE 398 HZ 0.03 0.02 -0.04 -0.04 7.32 7.29 1lwuH1 ASP 399 H 0.31 -0.07 -0.34 -0.55 8.40 7.75 1lwuH1 ASP 399 HA -0.05 0.27 0.76 -0.75 4.63 4.86 1lwuH1 ASP 399 HB2 -0.01 0.08 0.17 -0.04 2.71 2.92 1lwuH1 ASP 399 HB3 -0.07 0.01 -0.01 -0.04 2.70 2.60 1lwuH1 ARG 400 H 0.27 0.88 -0.34 -0.55 8.46 8.73 1lwuH1 ARG 400 HA -0.08 0.14 0.53 -0.75 4.34 4.18 1lwuH1 ARG 400 HB2 0.03 -0.11 -0.38 -0.04 1.90 1.40 1lwuH1 ARG 400 HB3 0.11 -0.11 0.11 -0.04 1.80 1.87 1lwuH1 ARG 400 HG2 -0.80 0.02 -0.05 -0.04 1.67 0.80 1lwuH1 ARG 400 HG3 -0.29 0.11 -0.02 -0.04 1.67 1.43 1lwuH1 ARG 400 HD2 -0.30 0.05 0.06 -0.04 3.22 2.99 1lwuH1 ARG 400 HD3 -0.27 -0.03 0.02 -0.04 3.22 2.89 1lwuH1 ASP 401 H -0.24 0.20 0.06 -0.55 8.40 7.87 1lwuH1 ASP 401 HA -0.10 -0.06 0.64 -0.75 4.63 4.36 1lwuH1 ASP 401 HB2 -1.17 -0.01 0.08 -0.04 2.71 1.57 1lwuH1 ASP 401 HB3 -0.35 0.08 0.14 -0.04 2.70 2.53 1lwuH1 ASN 402 H 0.06 0.03 0.27 -0.55 8.53 8.34 1lwuH1 ASN 402 HA -0.03 0.19 0.75 -0.75 4.76 4.92 1lwuH1 ASN 402 HB2 0.10 0.18 -0.16 -0.04 2.88 2.96 1lwuH1 ASN 402 HB3 0.05 -0.04 0.10 -0.04 2.79 2.86 1lwuH1 ASN 402 HD21 -0.39 -0.15 -0.08 -0.04 7.03 6.37 1lwuH1 ASN 402 HD22 0.13 0.64 0.10 -0.04 7.74 8.58 1lwuH1 ASP 403 H 0.07 -0.15 0.13 -0.55 8.40 7.91 1lwuH1 ASP 403 HA 0.13 0.48 0.60 -0.75 4.63 5.08 1lwuH1 ASP 403 HB2 0.21 -0.33 0.03 -0.04 2.71 2.58 1lwuH1 ASP 403 HB3 0.24 0.09 0.03 -0.04 2.70 3.02 1lwuH1 ASN 404 H 0.13 -0.10 0.19 -0.55 8.53 8.20 1lwuH1 ASN 404 HA 0.08 0.24 0.72 -0.75 4.76 5.04 1lwuH1 ASN 404 HB2 0.06 -0.05 0.16 -0.04 2.88 3.01 1lwuH1 ASN 404 HB3 0.06 0.01 0.24 -0.04 2.79 3.06 1lwuH1 ASN 404 HD21 0.03 0.03 0.00 -0.04 7.03 7.04 1lwuH1 ASN 404 HD22 0.03 -0.00 0.01 -0.04 7.74 7.74 1lwuH1 TRP 405 H 0.21 0.31 -0.64 -0.55 7.97 7.30 1lwuH1 TRP 405 HA -0.01 0.19 0.97 -0.75 4.62 5.02 1lwuH1 TRP 405 HB2 -0.00 -0.09 -0.12 -0.04 3.23 2.98 1lwuH1 TRP 405 HB3 -0.01 -0.01 0.02 -0.04 3.23 3.19 1lwuH1 TRP 405 HD1 -0.01 0.00 -0.03 -0.04 7.22 7.14 1lwuH1 TRP 405 HE1 -0.01 -0.00 -0.07 -0.04 10.20 10.08 1lwuH1 TRP 405 HE3 -0.03 -0.15 -0.37 -0.04 7.59 6.99 1lwuH1 TRP 405 HZ2 -0.01 0.02 -0.08 -0.04 7.44 7.33 1lwuH1 TRP 405 HZ3 -0.06 0.05 -0.46 -0.04 7.13 6.63 1lwuH1 TRP 405 HH2 -0.02 0.05 -0.09 -0.04 7.19 7.09 1lwuH1 ASN 406 H 0.16 0.17 0.01 -0.55 8.53 8.32 1lwuH1 ASN 406 HA -0.01 0.02 0.35 -0.75 4.76 4.36 1lwuH1 ASN 406 HB2 -0.50 0.25 -0.12 -0.04 2.88 2.47 1lwuH1 ASN 406 HB3 -0.20 -0.17 0.29 -0.04 2.79 2.67 1lwuH1 ASN 406 HD21 0.02 0.03 0.01 -0.04 7.03 7.04 1lwuH1 ASN 406 HD22 -0.11 -0.05 0.05 -0.04 7.74 7.59 1lwuH1 PRO 407 HA -0.07 0.13 0.17 -0.51 4.44 4.17 1lwuH1 PRO 407 HB2 -0.02 -0.04 -0.05 -0.04 2.28 2.13 1lwuH1 PRO 407 HB3 -0.03 0.08 0.05 -0.04 2.02 2.08 1lwuH1 PRO 407 HG2 0.01 0.03 0.00 -0.04 2.03 2.04 1lwuH1 PRO 407 HG3 0.01 0.19 0.01 -0.04 2.03 2.20 1lwuH1 PRO 407 HD2 0.01 0.06 0.07 -0.04 3.68 3.78 1lwuH1 PRO 407 HD3 0.05 -0.04 -0.22 -0.04 3.65 3.40 1lwuH1 GLY 408 H -0.08 -0.08 -0.67 -0.55 8.43 7.05 1lwuH1 GLY 408 HA2 -0.08 0.20 0.89 -0.51 4.01 4.51 1lwuH1 GLY 408 HA3 -0.07 -0.08 0.27 -0.51 4.01 3.62 1lwuH1 ASP 409 H -0.13 0.10 0.18 -0.55 8.40 8.00 1lwuH1 ASP 409 HA -0.12 0.09 0.53 -0.75 4.63 4.37 1lwuH1 ASP 409 HB2 -0.14 -0.02 0.18 -0.04 2.71 2.69 1lwuH1 ASP 409 HB3 -0.27 0.07 0.27 -0.04 2.70 2.72 1lwuH1 PRO 410 HA -0.20 0.16 0.38 -0.51 4.44 4.27 1lwuH1 PRO 410 HB2 -0.10 -0.02 0.02 -0.04 2.28 2.14 1lwuH1 PRO 410 HB3 -0.12 0.01 0.11 -0.04 2.02 1.98 1lwuH1 PRO 410 HG2 -0.09 -0.02 0.10 -0.04 2.03 1.98 1lwuH1 PRO 410 HG3 -0.11 0.15 0.06 -0.04 2.03 2.09 1lwuH1 PRO 410 HD2 -0.10 -0.01 0.23 -0.04 3.68 3.76 1lwuH1 PRO 410 HD3 -0.10 0.42 0.48 -0.04 3.65 4.41 1lwuH1 THR 411 H -0.20 0.02 -0.53 -0.55 8.28 7.02 1lwuH1 THR 411 HA -0.14 0.12 0.51 -0.75 4.39 4.13 1lwuH1 THR 411 HB -0.19 -0.01 -0.03 -0.04 4.32 4.04 1lwuH1 THR 411 HG23 -0.09 0.00 -0.01 -0.04 1.22 1.08 1lwuH1 LYS 412 H -0.47 0.37 -0.34 -0.55 8.42 7.42 1lwuH1 LYS 412 HA -1.89 0.07 0.57 -0.75 4.32 2.32 1lwuH1 LYS 412 HB2 -0.91 0.33 0.21 -0.04 1.87 1.47 1lwuH1 LYS 412 HB3 -3.23 -0.09 -0.03 -0.04 1.79 -1.60 1lwuH1 LYS 412 HG2 -0.53 -0.11 -0.02 -0.04 1.46 0.77 1lwuH1 LYS 412 HG3 -0.65 -0.05 -0.04 -0.04 1.46 0.68 1lwuH1 LYS 412 HD2 -0.64 0.01 -0.11 -0.04 1.69 0.91 1lwuH1 LYS 412 HD3 -0.70 0.06 -0.42 -0.04 1.68 0.58 1lwuH1 LYS 412 HE2 -0.08 -0.02 -0.06 -0.04 2.99 2.80 1lwuH1 LYS 412 HE3 0.04 0.03 -0.09 -0.04 2.99 2.93 1lwuH1 HIS 413 H -0.25 0.38 -0.17 -0.55 8.41 7.83 1lwuH1 HIS 413 HA -0.05 0.13 0.84 -0.75 4.63 4.80 1lwuH1 HIS 413 HB2 -0.16 0.25 -0.15 -0.04 3.26 3.17 1lwuH1 HIS 413 HB3 -0.12 -0.04 0.15 -0.04 3.20 3.15 1lwuH1 HIS 413 HD2 0.01 -0.29 -0.14 -0.04 6.97 6.51 1lwuH1 HIS 413 HE1 -0.06 0.14 -0.02 -0.04 7.75 7.76 1lwuH1 CYS 414 H 0.38 0.18 0.02 -0.55 8.50 8.54 1lwuH1 CYS 414 HA 0.11 0.07 0.20 -0.75 4.58 4.21 1lwuH1 CYS 414 HB2 0.08 -0.05 0.03 -0.04 2.97 2.98 1lwuH1 CYS 414 HB3 -0.55 0.09 -0.03 -0.04 2.97 2.43 1lwuH1 SER 415 H 0.25 -0.10 -0.53 -0.55 8.46 7.53 1lwuH1 SER 415 HA -0.18 0.25 0.59 -0.75 4.49 4.40 1lwuH1 SER 415 HB2 0.26 -0.05 -0.31 -0.04 3.95 3.81 1lwuH1 SER 415 HB3 -0.06 0.05 -0.42 -0.04 3.93 3.46 1lwuH1 ARG 416 H -0.83 0.02 -0.14 -0.55 8.46 6.96 1lwuH1 ARG 416 HA -0.18 -0.02 0.31 -0.75 4.34 3.69 1lwuH1 ARG 416 HB2 -0.32 0.06 0.15 -0.04 1.90 1.75 1lwuH1 ARG 416 HB3 -0.41 -0.02 -0.03 -0.04 1.80 1.30 1lwuH1 ARG 416 HG2 -0.32 0.02 0.07 -0.04 1.67 1.41 1lwuH1 ARG 416 HG3 -0.63 -0.03 0.07 -0.04 1.67 1.04 1lwuH1 ARG 416 HD2 -0.11 0.03 0.04 -0.04 3.22 3.13 1lwuH1 ARG 416 HD3 -0.11 -0.04 0.02 -0.04 3.22 3.05 1lwuH1 GLU 417 H -0.22 0.29 -0.15 -0.55 8.60 7.98 1lwuH1 GLU 417 HA 0.05 -0.00 0.56 -0.75 4.29 4.14 1lwuH1 GLU 417 HB2 0.05 -0.03 -0.13 -0.04 2.09 1.94 1lwuH1 GLU 417 HB3 -0.00 -0.01 0.04 -0.04 1.99 1.97 1lwuH1 GLU 417 HG2 -0.21 -0.03 0.02 -0.04 2.34 2.08 1lwuH1 GLU 417 HG3 0.08 0.10 -0.08 -0.04 2.34 2.41 1lwuH1 ASP 418 H 0.15 -0.02 0.03 -0.55 8.40 8.01 1lwuH1 ASP 418 HA 0.09 -0.13 0.22 -0.75 4.63 4.06 1lwuH1 ASP 418 HB2 -0.25 0.94 0.50 -0.04 2.71 3.86 1lwuH1 ASP 418 HB3 0.04 -0.05 0.11 -0.04 2.70 2.75 1lwuH1 ALA 419 H 0.10 0.16 -0.50 -0.55 8.40 7.60 1lwuH1 ALA 419 HA 0.11 0.20 0.21 -0.75 4.34 4.10 1lwuH1 ALA 419 HB3 0.07 -0.07 0.03 -0.04 1.41 1.40 1lwuH1 GLY 420 H 0.20 0.30 -0.23 -0.55 8.43 8.16 1lwuH1 GLY 420 HA2 0.19 0.16 0.69 -0.51 4.01 4.54 1lwuH1 GLY 420 HA3 0.10 0.15 0.10 -0.51 4.01 3.85 1lwuH1 GLY 421 H -0.07 0.24 0.24 -0.55 8.43 8.29 1lwuH1 GLY 421 HA2 -0.27 0.28 1.01 -0.51 4.01 4.52 1lwuH1 GLY 421 HA3 -1.03 -0.07 0.39 -0.51 4.01 2.79 1lwuH1 TRP 422 H -0.97 0.54 0.37 -0.55 7.97 7.36 1lwuH1 TRP 422 HA -1.60 0.05 0.44 -0.75 4.62 2.76 1lwuH1 TRP 422 HB2 -0.79 0.22 -0.43 -0.04 3.23 2.18 1lwuH1 TRP 422 HB3 -1.91 0.00 -0.25 -0.04 3.23 1.03 1lwuH1 TRP 422 HD1 -0.65 0.01 -0.31 -0.04 7.22 6.23 1lwuH1 TRP 422 HE1 -1.42 -0.03 -0.05 -0.04 10.20 8.66 1lwuH1 TRP 422 HE3 -0.29 0.15 0.03 -0.04 7.59 7.43 1lwuH1 TRP 422 HZ2 -0.08 -0.09 -0.08 -0.04 7.44 7.15 1lwuH1 TRP 422 HZ3 0.77 -0.02 -0.08 -0.04 7.13 7.75 1lwuH1 TRP 422 HH2 0.78 -0.06 -0.08 -0.04 7.19 7.79 1lwuH1 TRP 423 H -2.12 0.14 0.00 -0.55 7.97 5.45 1lwuH1 TRP 423 HA -0.43 0.30 0.29 -0.75 4.62 4.02 1lwuH1 TRP 423 HB2 -1.00 -0.09 0.10 -0.04 3.23 2.19 1lwuH1 TRP 423 HB3 -0.37 0.11 0.01 -0.04 3.23 2.94 1lwuH1 TRP 423 HD1 -0.10 0.08 -0.43 -0.04 7.22 6.73 1lwuH1 TRP 423 HE1 0.17 0.59 0.05 -0.04 10.20 10.96 1lwuH1 TRP 423 HE3 -2.37 -0.02 -0.02 -0.04 7.59 5.14 1lwuH1 TRP 423 HZ2 0.20 0.04 -0.08 -0.04 7.44 7.57 1lwuH1 TRP 423 HZ3 0.15 -0.03 -0.07 -0.04 7.13 7.14 1lwuH1 TRP 423 HH2 0.54 -0.00 -0.08 -0.04 7.19 7.60 1lwuH1 TYR 424 H -0.20 0.61 -0.19 -0.55 8.29 7.96 1lwuH1 TYR 424 HA 0.36 0.25 0.42 -0.75 4.56 4.83 1lwuH1 TYR 424 HB2 0.08 -0.05 0.10 -0.04 3.06 3.16 1lwuH1 TYR 424 HB3 0.16 -0.22 -0.04 -0.04 2.98 2.84 1lwuH1 TYR 424 HD2 0.18 0.04 -0.13 -0.04 7.15 7.20 1lwuH1 TYR 424 HE2 -0.02 0.26 -0.07 -0.04 6.85 6.98 1lwuH1 ASN 425 H 0.26 0.71 0.12 -0.55 8.53 9.07 1lwuH1 ASN 425 HA 0.10 -0.07 0.87 -0.75 4.76 4.90 1lwuH1 ASN 425 HB2 0.02 0.05 0.01 -0.04 2.88 2.92 1lwuH1 ASN 425 HB3 -0.04 0.04 -0.06 -0.04 2.79 2.69 1lwuH1 ASN 425 HD21 -0.07 0.02 0.02 -0.04 7.03 6.96 1lwuH1 ASN 425 HD22 -0.14 -0.01 -0.21 -0.04 7.74 7.34 1lwuH1 ARG 426 H 0.13 -0.23 -0.02 -0.55 8.46 7.79 1lwuH1 ARG 426 HA 0.03 -0.08 0.10 -0.75 4.34 3.64 1lwuH1 ARG 426 HB2 0.01 0.05 -0.07 -0.04 1.90 1.85 1lwuH1 ARG 426 HB3 -0.07 0.53 0.15 -0.04 1.80 2.36 1lwuH1 ARG 426 HG2 -0.12 -0.02 0.13 -0.04 1.67 1.62 1lwuH1 ARG 426 HG3 -0.33 -0.07 0.19 -0.04 1.67 1.42 1lwuH1 ARG 426 HD2 0.13 -0.08 0.19 -0.04 3.22 3.42 1lwuH1 ARG 426 HD3 0.05 0.06 0.15 -0.04 3.22 3.44 1lwuH1 CYS 427 H 0.11 -0.18 -0.64 -0.55 8.50 7.25 1lwuH1 CYS 427 HA 0.16 -0.08 0.20 -0.75 4.58 4.11 1lwuH1 CYS 427 HB2 -0.26 0.36 0.29 -0.04 2.97 3.33 1lwuH1 CYS 427 HB3 -0.06 -0.02 0.12 -0.04 2.97 2.97 1lwuH1 HIS 428 H -0.18 0.21 0.17 -0.55 8.41 8.06 1lwuH1 HIS 428 HA -0.01 0.18 0.56 -0.75 4.63 4.61 1lwuH1 HIS 428 HB2 0.54 0.03 0.06 -0.04 3.26 3.85 1lwuH1 HIS 428 HB3 0.60 0.06 -0.60 -0.04 3.20 3.21 1lwuH1 HIS 428 HD2 -0.03 -0.16 -1.23 -0.04 6.97 5.51 1lwuH1 HIS 428 HE1 -0.03 0.06 -0.12 -0.04 7.75 7.61 1lwuH1 ALA 429 H 0.45 0.08 0.25 -0.55 8.40 8.63 1lwuH1 ALA 429 HA -0.12 0.07 0.77 -0.75 4.34 4.31 1lwuH1 ALA 429 HB3 -0.13 -0.00 0.10 -0.04 1.41 1.34 1lwuH1 ALA 430 H 0.63 0.10 0.19 -0.55 8.40 8.78 1lwuH1 ALA 430 HA -0.29 0.16 0.83 -0.75 4.34 4.28 1lwuH1 ALA 430 HB3 -0.74 -0.01 0.01 -0.04 1.41 0.63 1lwuH1 ASN 431 H -0.19 0.80 0.17 -0.55 8.53 8.75 1lwuH1 ASN 431 HA -1.11 0.18 0.72 -0.75 4.76 3.80 1lwuH1 ASN 431 HB2 -1.66 -0.03 -0.29 -0.04 2.88 0.85 1lwuH1 ASN 431 HB3 -0.41 -0.08 0.18 -0.04 2.79 2.44 1lwuH1 ASN 431 HD21 -0.07 0.16 0.15 -0.04 7.03 7.23 1lwuH1 ASN 431 HD22 -0.16 0.19 0.26 -0.04 7.74 7.99 1lwuH1 PRO 432 HA -0.14 0.01 0.39 -0.51 4.44 4.19 1lwuH1 PRO 432 HB2 -0.10 0.08 -0.13 -0.04 2.28 2.09 1lwuH1 PRO 432 HB3 0.01 -0.03 -0.02 -0.04 2.02 1.94 1lwuH1 PRO 432 HG2 0.03 0.04 -0.07 -0.04 2.03 1.98 1lwuH1 PRO 432 HG3 0.19 0.01 -0.04 -0.04 2.03 2.15 1lwuH1 PRO 432 HD2 -2.34 0.16 -0.05 -0.04 3.68 1.40 1lwuH1 PRO 432 HD3 -0.89 0.02 -0.18 -0.04 3.65 2.55 1lwuH1 ASN 433 H -0.24 0.07 0.04 -0.55 8.53 7.85 1lwuH1 ASN 433 HA -0.21 -0.04 0.30 -0.75 4.76 4.06 1lwuH1 ASN 433 HB2 -0.16 0.43 0.13 -0.04 2.88 3.23 1lwuH1 ASN 433 HB3 0.23 -0.09 0.21 -0.04 2.79 3.09 1lwuH1 ASN 433 HD21 -0.58 -0.10 -0.03 -0.04 7.03 6.28 1lwuH1 ASN 433 HD22 -0.23 0.61 0.13 -0.04 7.74 8.22 1lwuH1 GLY 434 H -0.17 0.06 -0.63 -0.55 8.43 7.14 1lwuH1 GLY 434 HA2 -0.01 0.29 0.37 -0.51 4.01 4.15 1lwuH1 GLY 434 HA3 -0.08 0.04 0.11 -0.51 4.01 3.57 1lwuH1 ARG 435 H -0.06 0.03 -0.04 -0.55 8.46 7.85 1lwuH1 ARG 435 HA -0.08 0.07 0.35 -0.75 4.34 3.92 1lwuH1 ARG 435 HB2 -0.29 -0.04 -0.10 -0.04 1.90 1.43 1lwuH1 ARG 435 HB3 -0.70 0.03 -0.17 -0.04 1.80 0.93 1lwuH1 ARG 435 HG2 -0.14 0.04 -0.00 -0.04 1.67 1.52 1lwuH1 ARG 435 HG3 -0.05 0.06 -0.00 -0.04 1.67 1.63 1lwuH1 ARG 435 HD2 -0.00 0.04 0.01 -0.04 3.22 3.23 1lwuH1 ARG 435 HD3 0.01 -0.10 -0.04 -0.04 3.22 3.05 1lwuH1 TYR 436 H 0.02 0.15 0.08 -0.55 8.29 7.99 1lwuH1 TYR 436 HA -0.05 0.15 0.67 -0.75 4.56 4.57 1lwuH1 TYR 436 HB2 -0.03 0.05 0.07 -0.04 3.06 3.11 1lwuH1 TYR 436 HB3 0.04 -0.03 0.23 -0.04 2.98 3.18 1lwuH1 TYR 436 HD2 0.13 -0.02 -0.07 -0.04 7.15 7.14 1lwuH1 TYR 436 HE2 0.14 0.02 -0.17 -0.04 6.85 6.80 1lwuH1 TYR 437 H -0.16 0.24 -0.05 -0.55 8.29 7.77 1lwuH1 TYR 437 HA -0.05 0.03 0.43 -0.75 4.56 4.22 1lwuH1 TYR 437 HB2 -0.32 -0.01 -0.03 -0.04 3.06 2.66 1lwuH1 TYR 437 HB3 -0.16 0.13 -0.18 -0.04 2.98 2.73 1lwuH1 TYR 437 HD2 -0.41 0.01 -0.04 -0.04 7.15 6.67 1lwuH1 TYR 437 HE2 -0.30 0.18 -0.17 -0.04 6.85 6.51 1lwuH1 TRP 438 H 0.19 0.11 0.16 -0.55 7.97 7.88 1lwuH1 TRP 438 HA -0.54 0.10 0.62 -0.75 4.62 4.05 1lwuH1 TRP 438 HB2 0.01 0.03 0.12 -0.04 3.23 3.34 1lwuH1 TRP 438 HB3 -0.13 0.01 0.11 -0.04 3.23 3.17 1lwuH1 TRP 438 HD1 -0.24 0.01 -0.25 -0.04 7.22 6.70 1lwuH1 TRP 438 HE1 0.09 0.01 0.01 -0.04 10.20 10.27 1lwuH1 TRP 438 HE3 0.40 -0.01 0.03 -0.04 7.59 7.97 1lwuH1 TRP 438 HZ2 0.30 0.01 0.03 -0.04 7.44 7.74 1lwuH1 TRP 438 HZ3 0.30 -0.05 0.05 -0.04 7.13 7.39 1lwuH1 TRP 438 HH2 0.22 0.03 0.04 -0.04 7.19 7.43 1lwuH1 GLY 439 H -4.02 0.15 0.16 -0.55 8.43 4.17 1lwuH1 GLY 439 HA2 -1.13 0.01 0.38 -0.51 4.01 2.76 1lwuH1 GLY 439 HA3 -0.52 0.15 0.58 -0.51 4.01 3.72 1lwuH1 GLY 440 H -1.61 0.23 -0.37 -0.55 8.43 6.14 1lwuH1 GLY 440 HA2 -1.01 0.34 0.36 -0.51 4.01 3.20 1lwuH1 GLY 440 HA3 -0.90 0.02 0.53 -0.51 4.01 3.15 1lwuH1 ILE 441 H -0.18 0.31 0.07 -0.55 8.25 7.90 1lwuH1 ILE 441 HA 0.02 0.29 0.75 -0.75 4.18 4.49 1lwuH1 ILE 441 HB 0.00 0.04 0.10 -0.04 1.89 1.99 1lwuH1 ILE 441 HG12 -0.02 -0.02 0.01 -0.04 1.49 1.41 1lwuH1 ILE 441 HG13 -0.06 0.02 0.04 -0.04 1.21 1.16 1lwuH1 ILE 441 HG23 0.15 0.00 0.06 -0.04 0.93 1.11 1lwuH1 ILE 441 HD13 -0.06 -0.02 -0.35 -0.04 0.88 0.42 1lwuH1 TYR 442 H -0.14 0.65 0.33 -0.55 8.29 8.58 1lwuH1 TYR 442 HA -0.19 0.09 0.58 -0.75 4.56 4.29 1lwuH1 TYR 442 HB2 -0.76 -0.07 0.03 -0.04 3.06 2.21 1lwuH1 TYR 442 HB3 -0.63 0.08 -0.24 -0.04 2.98 2.15 1lwuH1 TYR 442 HD2 -0.26 0.04 -0.25 -0.04 7.15 6.64 1lwuH1 TYR 442 HE2 0.06 -0.05 -0.34 -0.04 6.85 6.47 1lwuH1 THR 443 H -0.06 0.14 0.15 -0.55 8.28 7.96 1lwuH1 THR 443 HA -0.56 0.31 1.05 -0.75 4.39 4.44 1lwuH1 THR 443 HB -0.35 -0.01 0.12 -0.04 4.32 4.04 1lwuH1 THR 443 HG23 -0.18 0.05 -0.12 -0.04 1.22 0.93 1lwuH1 LYS 444 H -1.11 0.22 0.14 -0.55 8.42 7.12 1lwuH1 LYS 444 HA -0.02 0.11 0.28 -0.75 4.32 3.94 1lwuH1 LYS 444 HB2 -0.99 0.02 0.10 -0.04 1.87 0.97 1lwuH1 LYS 444 HB3 -0.43 -0.05 0.09 -0.04 1.79 1.36 1lwuH1 LYS 444 HG2 -0.03 -0.02 -0.11 -0.04 1.46 1.27 1lwuH1 LYS 444 HG3 0.15 0.29 0.13 -0.04 1.46 1.99 1lwuH1 LYS 444 HD2 -0.11 -0.05 -0.00 -0.04 1.69 1.49 1lwuH1 LYS 444 HD3 0.03 0.03 0.03 -0.04 1.68 1.73 1lwuH1 LYS 444 HE2 0.27 0.11 0.05 -0.04 2.99 3.38 1lwuH1 LYS 444 HE3 -0.21 -0.08 0.02 -0.04 2.99 2.69 1lwuH1 GLU 445 H -0.21 -0.03 -0.42 -0.55 8.60 7.40 1lwuH1 GLU 445 HA -0.03 0.13 0.38 -0.75 4.29 4.01 1lwuH1 GLU 445 HB2 -0.09 -0.07 0.00 -0.04 2.09 1.89 1lwuH1 GLU 445 HB3 -0.04 0.06 -0.00 -0.04 1.99 1.96 1lwuH1 GLU 445 HG2 -0.08 0.02 -0.00 -0.04 2.34 2.24 1lwuH1 GLU 445 HG3 -0.07 0.06 -0.00 -0.04 2.34 2.29 1lwuH1 GLN 446 H 0.01 0.35 -0.24 -0.55 8.47 8.04 1lwuH1 GLN 446 HA 0.07 0.14 0.59 -0.75 4.36 4.41 1lwuH1 GLN 446 HB2 0.11 0.02 0.05 -0.04 2.15 2.29 1lwuH1 GLN 446 HB3 0.16 0.01 0.04 -0.04 2.02 2.19 1lwuH1 GLN 446 HG2 0.02 0.06 -0.06 -0.04 2.40 2.38 1lwuH1 GLN 446 HG3 -0.02 -0.15 0.10 -0.04 2.39 2.28 1lwuH1 GLN 446 HE21 0.02 0.07 0.01 -0.04 6.97 7.03 1lwuH1 GLN 446 HE22 0.02 0.02 -0.01 -0.04 7.69 7.68 1lwuH1 ALA 447 H 0.23 0.28 -0.07 -0.55 8.40 8.30 1lwuH1 ALA 447 HA 0.40 -0.02 0.38 -0.75 4.34 4.35 1lwuH1 ALA 447 HB3 0.42 -0.02 0.10 -0.04 1.41 1.87 1lwuH1 ASP 448 H 0.17 0.08 0.20 -0.55 8.40 8.30 1lwuH1 ASP 448 HA -0.04 0.18 0.40 -0.75 4.63 4.42 1lwuH1 ASP 448 HB2 0.04 -0.02 0.19 -0.04 2.71 2.87 1lwuH1 ASP 448 HB3 -0.00 -0.04 0.07 -0.04 2.70 2.69 1lwuH1 TYR 449 H 0.23 -0.10 -0.23 -0.55 8.29 7.64 1lwuH1 TYR 449 HA 0.09 0.33 0.90 -0.75 4.56 5.13 1lwuH1 TYR 449 HB2 0.11 -0.19 0.06 -0.04 3.06 3.00 1lwuH1 TYR 449 HB3 0.11 0.05 0.16 -0.04 2.98 3.26 1lwuH1 TYR 449 HD2 0.08 -0.07 0.00 -0.04 7.15 7.11 1lwuH1 TYR 449 HE2 0.06 0.04 -0.04 -0.04 6.85 6.87 1lwuH1 GLY 450 H 0.18 0.43 -0.31 -0.55 8.43 8.18 1lwuH1 GLY 450 HA2 0.20 0.33 0.38 -0.51 4.01 4.41 1lwuH1 GLY 450 HA3 0.17 0.05 0.38 -0.51 4.01 4.09 1lwuH1 THR 451 H 0.28 -0.18 -0.52 -0.55 8.28 7.31 1lwuH1 THR 451 HA 0.21 0.28 0.82 -0.75 4.39 4.94 1lwuH1 THR 451 HB 0.04 0.01 -0.01 -0.04 4.32 4.32 1lwuH1 THR 451 HG23 0.14 0.09 -0.16 -0.04 1.22 1.25 1lwuH1 ASP 452 H -0.14 0.19 0.00 -0.55 8.40 7.90 1lwuH1 ASP 452 HA -0.45 0.18 0.58 -0.75 4.63 4.18 1lwuH1 ASP 452 HB2 -0.58 0.30 0.13 -0.04 2.71 2.51 1lwuH1 ASP 452 HB3 -1.43 -0.08 -0.01 -0.04 2.70 1.14 1lwuH1 ASP 453 H 0.22 0.28 -0.32 -0.55 8.40 8.03 1lwuH1 ASP 453 HA 0.09 0.21 0.53 -0.75 4.63 4.71 1lwuH1 ASP 453 HB2 0.09 0.04 -0.16 -0.04 2.71 2.64 1lwuH1 ASP 453 HB3 0.15 -0.27 0.05 -0.04 2.70 2.58 1lwuH1 GLY 454 H -0.02 0.24 0.16 -0.55 8.43 8.27 1lwuH1 GLY 454 HA2 -0.08 0.27 0.29 -0.51 4.01 3.98 1lwuH1 GLY 454 HA3 -0.10 0.21 0.71 -0.51 4.01 4.32 1lwuH1 VAL 455 H -0.03 0.23 0.02 -0.55 8.24 7.91 1lwuH1 VAL 455 HA -0.06 0.25 0.51 -0.75 4.13 4.09 1lwuH1 VAL 455 HB 0.02 -0.05 0.18 -0.04 2.12 2.23 1lwuH1 VAL 455 HG13 0.03 -0.04 -0.11 -0.04 0.97 0.82 1lwuH1 VAL 455 HG23 -0.00 0.04 -0.15 -0.04 0.95 0.79 1lwuH1 VAL 456 H -0.03 0.62 0.04 -0.55 8.24 8.32 1lwuH1 VAL 456 HA 0.21 0.26 0.60 -0.75 4.13 4.45 1lwuH1 VAL 456 HB 0.08 0.03 -0.06 -0.04 2.12 2.13 1lwuH1 VAL 456 HG13 0.12 0.01 -0.17 -0.04 0.97 0.89 1lwuH1 VAL 456 HG23 0.14 0.02 -0.34 -0.04 0.95 0.74 1lwuH1 TRP 457 H 0.33 0.31 -0.09 -0.55 7.97 7.97 1lwuH1 TRP 457 HA 0.09 0.10 0.66 -0.75 4.62 4.72 1lwuH1 TRP 457 HB2 0.12 0.06 -0.19 -0.04 3.23 3.17 1lwuH1 TRP 457 HB3 0.26 -0.02 0.11 -0.04 3.23 3.53 1lwuH1 TRP 457 HD1 0.19 -0.02 -0.14 -0.04 7.22 7.21 1lwuH1 TRP 457 HE1 0.03 0.15 -0.40 -0.04 10.20 9.94 1lwuH1 TRP 457 HE3 -0.00 0.06 -0.03 -0.04 7.59 7.58 1lwuH1 TRP 457 HZ2 -0.01 -0.02 0.00 -0.04 7.44 7.38 1lwuH1 TRP 457 HZ3 -0.23 0.03 -0.06 -0.04 7.13 6.83 1lwuH1 TRP 457 HH2 -0.95 -0.01 -0.04 -0.04 7.19 6.16 1lwuH1 MET 458 H 0.01 0.59 0.07 -0.55 8.47 8.59 1lwuH1 MET 458 HA 0.06 0.11 0.28 -0.75 4.52 4.22 1lwuH1 MET 458 HB2 -0.09 0.01 0.17 -0.04 2.15 2.20 1lwuH1 MET 458 HB3 -0.05 -0.07 -0.03 -0.04 2.03 1.84 1lwuH1 MET 458 HG2 -0.10 -0.16 -0.29 -0.04 2.63 2.04 1lwuH1 MET 458 HG3 -0.04 0.10 -0.05 -0.04 2.56 2.53 1lwuH1 MET 458 HE3 -0.15 -0.04 -0.01 -0.04 2.10 1.86 1lwuH1 ASN 459 H -0.10 0.11 -0.26 -0.55 8.53 7.73 1lwuH1 ASN 459 HA 0.09 -0.07 0.28 -0.75 4.76 4.31 1lwuH1 ASN 459 HB2 0.24 0.09 -0.06 -0.04 2.88 3.10 1lwuH1 ASN 459 HB3 0.19 -0.01 0.18 -0.04 2.79 3.11 1lwuH1 ASN 459 HD21 -0.08 0.48 -0.26 -0.04 7.03 7.14 1lwuH1 ASN 459 HD22 -0.01 -0.05 -0.15 -0.04 7.74 7.49 1lwuH1 TRP 460 H 0.46 0.31 -0.66 -0.55 7.97 7.54 1lwuH1 TRP 460 HA 0.10 0.22 1.15 -0.75 4.62 5.34 1lwuH1 TRP 460 HB2 0.22 0.15 0.01 -0.04 3.23 3.57 1lwuH1 TRP 460 HB3 0.21 -0.05 0.10 -0.04 3.23 3.45 1lwuH1 TRP 460 HD1 0.02 0.10 0.15 -0.04 7.22 7.45 1lwuH1 TRP 460 HE1 -0.05 -0.01 -0.03 -0.04 10.20 10.07 1lwuH1 TRP 460 HE3 0.04 0.03 -0.12 -0.04 7.59 7.51 1lwuH1 TRP 460 HZ2 -0.08 -0.02 -0.18 -0.04 7.44 7.11 1lwuH1 TRP 460 HZ3 0.02 -0.04 -0.28 -0.04 7.13 6.78 1lwuH1 TRP 460 HH2 -0.06 -0.08 -0.22 -0.04 7.19 6.80 1lwuH1 LYS 461 H 0.26 0.23 0.12 -0.55 8.42 8.48 1lwuH1 LYS 461 HA -0.31 0.22 0.90 -0.75 4.32 4.37 1lwuH1 LYS 461 HB2 0.11 0.06 -0.04 -0.04 1.87 1.95 1lwuH1 LYS 461 HB3 -0.34 -0.04 0.07 -0.04 1.79 1.44 1lwuH1 LYS 461 HG2 -1.13 -0.04 -0.40 -0.04 1.46 -0.15 1lwuH1 LYS 461 HG3 -0.55 -0.05 -0.15 -0.04 1.46 0.67 1lwuH1 LYS 461 HD2 -1.27 -0.02 -0.05 -0.04 1.69 0.31 1lwuH1 LYS 461 HD3 -1.00 0.14 -0.05 -0.04 1.68 0.73 1lwuH1 LYS 461 HE2 -2.39 0.03 -0.11 -0.04 2.99 0.48 1lwuH1 LYS 461 HE3 -1.17 -0.12 -0.08 -0.04 2.99 1.58 1lwuH1 GLY 462 H 0.08 0.52 0.13 -0.55 8.43 8.61 1lwuH1 GLY 462 HA2 0.01 0.05 0.36 -0.51 4.01 3.92 1lwuH1 GLY 462 HA3 0.01 0.07 0.48 -0.51 4.01 4.07 1lwuH1 SER 463 H -0.10 0.13 0.15 -0.55 8.46 8.09 1lwuH1 SER 463 HA -0.19 0.14 0.58 -0.75 4.49 4.27 1lwuH1 SER 463 HB2 -0.44 -0.02 0.12 -0.04 3.95 3.57 1lwuH1 SER 463 HB3 -1.12 0.02 -0.02 -0.04 3.93 2.77 1lwuH1 TRP 464 H -0.02 0.09 -0.12 -0.55 7.97 7.37 1lwuH1 TRP 464 HA -0.69 0.30 0.95 -0.75 4.62 4.43 1lwuH1 TRP 464 HB2 -0.26 -0.03 0.16 -0.04 3.23 3.06 1lwuH1 TRP 464 HB3 -0.67 0.37 0.30 -0.04 3.23 3.19 1lwuH1 TRP 464 HD1 -0.12 0.00 0.02 -0.04 7.22 7.08 1lwuH1 TRP 464 HE1 -0.09 0.02 -0.03 -0.04 10.20 10.07 1lwuH1 TRP 464 HE3 -0.99 0.08 -0.32 -0.04 7.59 6.33 1lwuH1 TRP 464 HZ2 -0.05 0.04 -0.06 -0.04 7.44 7.33 1lwuH1 TRP 464 HZ3 0.05 0.08 -0.38 -0.04 7.13 6.84 1lwuH1 TRP 464 HH2 0.01 0.21 -0.35 -0.04 7.19 7.02 1lwuH1 TYR 465 H 0.19 0.28 -0.51 -0.55 8.29 7.70 1lwuH1 TYR 465 HA 0.13 0.29 0.70 -0.75 4.56 4.93 1lwuH1 TYR 465 HB2 -0.00 0.03 -0.24 -0.04 3.06 2.80 1lwuH1 TYR 465 HB3 0.03 -0.02 -0.08 -0.04 2.98 2.86 1lwuH1 TYR 465 HD2 0.02 -0.00 -0.28 -0.04 7.15 6.85 1lwuH1 TYR 465 HE2 0.06 -0.04 -0.06 -0.04 6.85 6.76 1lwuH1 SER 466 H -0.18 0.96 0.17 -0.55 8.46 8.86 1lwuH1 SER 466 HA 0.09 0.19 0.57 -0.75 4.49 4.59 1lwuH1 SER 466 HB2 -0.05 -0.04 -0.00 -0.04 3.95 3.82 1lwuH1 SER 466 HB3 -0.13 0.09 0.12 -0.04 3.93 3.96 1lwuH1 MET 467 H 0.15 0.60 0.21 -0.55 8.47 8.87 1lwuH1 MET 467 HA 0.29 -0.06 0.30 -0.75 4.52 4.30 1lwuH1 MET 467 HB2 0.09 -0.07 -0.13 -0.04 2.15 2.00 1lwuH1 MET 467 HB3 0.11 0.05 0.09 -0.04 2.03 2.24 1lwuH1 MET 467 HG2 0.27 0.29 0.01 -0.04 2.63 3.16 1lwuH1 MET 467 HG3 0.19 -0.06 -0.06 -0.04 2.56 2.59 1lwuH1 MET 467 HE3 0.50 -0.03 -0.17 -0.04 2.10 2.36 1lwuH1 ARG 468 H -0.19 0.52 0.38 -0.55 8.46 8.61 1lwuH1 ARG 468 HA -0.91 0.10 0.61 -0.75 4.34 3.38 1lwuH1 ARG 468 HB2 -2.69 -0.13 -0.14 -0.04 1.90 -1.10 1lwuH1 ARG 468 HB3 -0.75 0.13 -0.16 -0.04 1.80 0.98 1lwuH1 ARG 468 HG2 -0.78 0.05 -0.10 -0.04 1.67 0.80 1lwuH1 ARG 468 HG3 -2.38 -0.04 0.05 -0.04 1.67 -0.75 1lwuH1 ARG 468 HD2 -0.63 0.01 -0.00 -0.04 3.22 2.55 1lwuH1 ARG 468 HD3 -0.98 -0.07 0.01 -0.04 3.22 2.14 1lwuH1 GLN 469 H -0.12 0.33 0.23 -0.55 8.47 8.36 1lwuH1 GLN 469 HA -0.05 0.26 0.62 -0.75 4.36 4.43 1lwuH1 GLN 469 HB2 -0.12 -0.12 0.06 -0.04 2.15 1.93 1lwuH1 GLN 469 HB3 -0.10 0.05 -0.03 -0.04 2.02 1.89 1lwuH1 GLN 469 HG2 -0.12 0.13 0.17 -0.04 2.40 2.54 1lwuH1 GLN 469 HG3 -0.22 -0.01 -0.40 -0.04 2.39 1.72 1lwuH1 GLN 469 HE21 -0.08 -0.04 -0.03 -0.04 6.97 6.79 1lwuH1 GLN 469 HE22 -0.11 0.08 0.01 -0.04 7.69 7.63 1lwuH1 MET 470 H -0.05 0.52 0.26 -0.55 8.47 8.65 1lwuH1 MET 470 HA -0.06 0.23 0.91 -0.75 4.52 4.85 1lwuH1 MET 470 HB2 0.03 0.05 -0.12 -0.04 2.15 2.07 1lwuH1 MET 470 HB3 -0.01 -0.07 -0.02 -0.04 2.03 1.89 1lwuH1 MET 470 HG2 0.03 -0.09 -0.08 -0.04 2.63 2.44 1lwuH1 MET 470 HG3 0.02 0.02 -0.37 -0.04 2.56 2.20 1lwuH1 MET 470 HE3 0.22 -0.00 -0.17 -0.04 2.10 2.11 1lwuH1 ALA 471 H -0.07 0.30 0.26 -0.55 8.40 8.35 1lwuH1 ALA 471 HA -0.11 0.07 0.60 -0.75 4.34 4.14 1lwuH1 ALA 471 HB3 -0.16 0.05 0.08 -0.04 1.41 1.34 1lwuH1 MET 472 H -0.18 0.57 0.35 -0.55 8.47 8.66 1lwuH1 MET 472 HA -0.65 0.17 0.96 -0.75 4.52 4.25 1lwuH1 MET 472 HB2 -0.14 -0.04 0.16 -0.04 2.15 2.10 1lwuH1 MET 472 HB3 -0.32 0.04 -0.03 -0.04 2.03 1.67 1lwuH1 MET 472 HG2 -1.32 0.01 -0.01 -0.04 2.63 1.27 1lwuH1 MET 472 HG3 0.06 -0.04 -0.13 -0.04 2.56 2.41 1lwuH1 MET 472 HE3 -0.23 0.01 -0.09 -0.04 2.10 1.74 1lwuH1 LYS 473 H -0.43 0.39 0.33 -0.55 8.42 8.16 1lwuH1 LYS 473 HA -0.05 0.23 1.02 -0.75 4.32 4.76 1lwuH1 LYS 473 HB2 -0.55 0.04 0.04 -0.04 1.87 1.37 1lwuH1 LYS 473 HB3 0.22 -0.01 -0.17 -0.04 1.79 1.79 1lwuH1 LYS 473 HG2 -0.02 0.02 -0.23 -0.04 1.46 1.19 1lwuH1 LYS 473 HG3 -0.20 -0.08 -0.60 -0.04 1.46 0.54 1lwuH1 LYS 473 HD2 -0.43 0.02 -0.17 -0.04 1.69 1.07 1lwuH1 LYS 473 HD3 -0.35 -0.01 -0.16 -0.04 1.68 1.12 1lwuH1 LYS 473 HE2 -0.04 -0.01 -0.10 -0.04 2.99 2.80 1lwuH1 LYS 473 HE3 -0.14 0.02 -0.13 -0.04 2.99 2.70 1lwuH1 LEU 474 H 0.17 0.69 0.34 -0.55 8.37 9.02 1lwuH1 LEU 474 HA 0.24 0.34 1.13 -0.75 4.35 5.30 1lwuH1 LEU 474 HB2 0.05 0.03 0.13 -0.04 1.64 1.80 1lwuH1 LEU 474 HB3 0.22 0.01 -0.05 -0.04 1.64 1.78 1lwuH1 LEU 474 HG 0.09 0.04 -0.08 -0.04 1.64 1.65 1lwuH1 LEU 474 HD13 -0.63 0.00 -0.22 -0.04 0.93 0.05 1lwuH1 LEU 474 HD23 0.10 0.00 -0.09 -0.04 0.89 0.86 1lwuH1 ARG 475 H 0.12 0.58 0.42 -0.55 8.46 9.03 1lwuH1 ARG 475 HA -0.25 0.03 0.72 -0.75 4.34 4.08 1lwuH1 ARG 475 HB2 -1.87 -0.03 -0.25 -0.04 1.90 -0.29 1lwuH1 ARG 475 HB3 -1.09 0.05 -0.06 -0.04 1.80 0.66 1lwuH1 ARG 475 HG2 -0.58 -0.03 -0.23 -0.04 1.67 0.80 1lwuH1 ARG 475 HG3 -0.66 -0.05 0.11 -0.04 1.67 1.02 1lwuH1 ARG 475 HD2 -0.64 -0.00 -0.06 -0.04 3.22 2.48 1lwuH1 ARG 475 HD3 -1.59 0.05 -0.22 -0.04 3.22 1.42 1lwuH1 PRO 476 HA -0.13 0.27 0.73 -0.51 4.44 4.80 1lwuH1 PRO 476 HB2 -0.20 0.01 0.20 -0.04 2.28 2.26 1lwuH1 PRO 476 HB3 -0.26 0.10 0.15 -0.04 2.02 1.97 1lwuH1 PRO 476 HG2 -0.35 -0.08 0.19 -0.04 2.03 1.75 1lwuH1 PRO 476 HG3 -0.43 -0.03 0.14 -0.04 2.03 1.68 1lwuH1 PRO 476 HD2 -0.78 0.16 0.25 -0.04 3.68 3.27 1lwuH1 PRO 476 HD3 -1.97 0.03 0.21 -0.04 3.65 1.88 1lwuH1 LYS 477 H -0.21 0.01 0.07 -0.55 8.42 7.74 1lwuH1 LYS 477 HA -0.13 0.19 0.40 -0.75 4.32 4.02 1lwuH1 LYS 477 HB2 -0.10 -0.03 -0.00 -0.04 1.87 1.70 1lwuH1 LYS 477 HB3 -0.07 -0.02 0.06 -0.04 1.79 1.72 1lwuH1 LYS 477 HG2 -0.06 0.02 -0.73 -0.04 1.46 0.65 1lwuH1 LYS 477 HG3 -0.04 -0.04 -0.09 -0.04 1.46 1.25 1lwuH1 LYS 477 HD2 -0.02 -0.12 0.03 -0.04 1.69 1.54 1lwuH1 LYS 477 HD3 -0.05 -0.04 0.21 -0.04 1.68 1.76 1lwuH1 LYS 477 HE2 0.03 0.03 0.10 -0.04 2.99 3.10 1lwuH1 LYS 477 HE3 0.00 0.28 0.10 -0.04 2.99 3.33