============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 14 0.900 39.224 42.707 -14.251 -99.200 -91.000 HIS 17 0.900 34.863 45.226 -14.825 -99.200 -91.000 TRP 30 1.040 25.991 53.651 7.581 -99.200 -91.000 TRP6 30 1.020 24.640 54.893 9.073 -99.200 -91.000 HIS 34 0.900 41.602 53.276 17.575 -99.200 -91.000 PHE 48 1.000 33.253 40.186 7.448 -99.200 -91.000 TYR 62 0.840 14.074 51.562 0.145 -99.200 -91.000 TYR 70 0.840 18.308 60.843 -4.029 -99.200 -91.000 HIS 73 0.900 12.104 66.746 4.057 -99.200 -91.000 PHE 77 1.000 18.088 49.921 10.848 -99.200 -91.000 PHE 83 1.000 27.246 46.674 0.922 -99.200 -91.000 HIS 89 0.900 40.561 36.809 -9.483 -99.200 -91.000 HIS 124 0.900 35.733 37.770 -8.616 -99.200 -91.000 TYR 155 0.840 20.194 44.157 -20.615 -99.200 -91.000 PHE 161 1.000 30.077 36.188 -17.093 -99.200 -91.000 HIS 179 0.900 29.834 61.469 -12.021 -99.200 -91.000 PHE 193 1.000 16.155 41.477 -7.059 -99.200 -91.000 PHE 213 1.000 41.135 42.122 17.237 -99.200 -91.000 TYR 253 0.840 49.030 22.997 28.261 -99.200 -91.000 HIS 256 0.900 52.517 17.418 27.167 -99.200 -91.000 TYR 261 0.840 47.858 24.158 18.081 -99.200 -91.000 PHE 277 1.000 30.825 47.931 23.909 -99.200 -91.000 TYR 282 0.840 20.478 38.292 17.490 -99.200 -91.000 TYR 296 0.840 51.880 36.286 27.520 -99.200 -91.000 TRP 318 1.040 38.585 17.648 10.919 -99.200 -91.000 TRP6 318 1.020 37.918 15.769 9.654 -99.200 -91.000 HIS 326 0.900 35.288 17.953 -7.566 -99.200 -91.000 TRP 396 1.040 51.818 30.603 -0.511 -99.200 -91.000 TRP6 396 1.020 52.178 28.269 -0.546 -99.200 -91.000 TYR 401 0.840 35.817 22.799 -4.973 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dcuA1 LYS 6 HA 0.09 -0.06 0.13 -0.75 4.32 3.72 2dcuA1 LYS 6 HB2 -0.47 -0.10 0.13 -0.04 1.87 1.40 2dcuA1 LYS 6 HB3 -0.27 -0.01 0.05 -0.04 1.79 1.51 2dcuA1 LYS 6 HG2 -0.10 -0.03 -0.08 -0.04 1.46 1.21 2dcuA1 LYS 6 HG3 -0.21 0.08 -0.02 -0.04 1.46 1.27 2dcuA1 LYS 6 HD2 -0.05 -0.04 0.01 -0.04 1.69 1.57 2dcuA1 LYS 6 HD3 -0.06 -0.02 -0.01 -0.04 1.68 1.55 2dcuA1 LYS 6 HE2 -0.15 0.06 0.01 -0.04 2.99 2.87 2dcuA1 LYS 6 HE3 -0.16 -0.00 0.01 -0.04 2.99 2.80 2dcuA1 THR 7 H -0.16 0.13 0.10 -0.55 8.28 7.81 2dcuA1 THR 7 HA -0.04 0.23 0.94 -0.75 4.39 4.77 2dcuA1 THR 7 HB 0.02 -0.10 0.01 -0.04 4.32 4.21 2dcuA1 THR 7 HG23 -0.01 -0.02 0.07 -0.04 1.22 1.22 2dcuA1 ARG 8 H -0.11 0.13 0.11 -0.55 8.46 8.04 2dcuA1 ARG 8 HA -0.10 0.20 0.59 -0.75 4.34 4.28 2dcuA1 ARG 8 HB2 -0.29 -0.04 0.06 -0.04 1.90 1.60 2dcuA1 ARG 8 HB3 -0.66 -0.02 0.13 -0.04 1.80 1.20 2dcuA1 ARG 8 HG2 -0.54 0.07 -0.05 -0.04 1.67 1.10 2dcuA1 ARG 8 HG3 -0.28 0.00 -0.03 -0.04 1.67 1.32 2dcuA1 ARG 8 HD2 -0.38 -0.02 -0.00 -0.04 3.22 2.78 2dcuA1 ARG 8 HD3 -1.04 -0.02 -0.01 -0.04 3.22 2.10 2dcuA1 GLN 9 H -0.03 -0.09 -0.69 -0.55 8.47 7.12 2dcuA1 GLN 9 HA -0.02 -0.04 0.28 -0.75 4.36 3.83 2dcuA1 GLN 9 HB2 0.02 -0.06 -0.06 -0.04 2.15 2.01 2dcuA1 GLN 9 HB3 0.03 -0.05 -0.05 -0.04 2.02 1.91 2dcuA1 GLN 9 HG2 0.02 -0.10 -0.15 -0.04 2.40 2.13 2dcuA1 GLN 9 HG3 0.02 0.26 -0.61 -0.04 2.39 2.02 2dcuA1 GLN 9 HE21 0.11 0.75 -0.00 -0.04 6.97 7.79 2dcuA1 GLN 9 HE22 0.07 0.48 -0.26 -0.04 7.69 7.93 2dcuA1 ALA 10 H 0.00 -0.03 -0.01 -0.55 8.40 7.82 2dcuA1 ALA 10 HA -0.01 0.20 0.15 -0.75 4.34 3.92 2dcuA1 ALA 10 HB3 0.01 0.01 -0.41 -0.04 1.41 0.98 2dcuA1 GLU 11 H -0.03 0.62 0.47 -0.55 8.60 9.11 2dcuA1 GLU 11 HA -0.01 0.32 0.87 -0.75 4.29 4.71 2dcuA1 GLU 11 HB2 -0.03 -0.04 0.18 -0.04 2.09 2.15 2dcuA1 GLU 11 HB3 -0.03 -0.03 0.14 -0.04 1.99 2.03 2dcuA1 GLU 11 HG2 -0.05 0.02 -0.00 -0.04 2.34 2.27 2dcuA1 GLU 11 HG3 -0.01 0.17 0.01 -0.04 2.34 2.47 2dcuA1 VAL 12 H -0.05 0.06 0.17 -0.55 8.24 7.87 2dcuA1 VAL 12 HA -0.02 0.23 0.67 -0.75 4.13 4.26 2dcuA1 VAL 12 HB -0.05 -0.01 -0.11 -0.04 2.12 1.91 2dcuA1 VAL 12 HG13 -0.03 0.03 -0.39 -0.04 0.97 0.54 2dcuA1 VAL 12 HG23 -0.09 0.01 -0.11 -0.04 0.95 0.72 2dcuA1 ASN 13 H -0.02 0.31 0.14 -0.55 8.53 8.40 2dcuA1 ASN 13 HA -0.08 0.24 0.96 -0.75 4.76 5.14 2dcuA1 ASN 13 HB2 0.00 0.34 0.29 -0.04 2.88 3.47 2dcuA1 ASN 13 HB3 -0.05 -0.08 -0.08 -0.04 2.79 2.54 2dcuA1 ASN 13 HD21 0.29 -0.05 0.01 -0.04 7.03 7.24 2dcuA1 ASN 13 HD22 0.14 0.32 0.03 -0.04 7.74 8.18 2dcuA1 ILE 14 H -0.25 0.62 0.28 -0.55 8.25 8.34 2dcuA1 ILE 14 HA -0.09 0.22 0.78 -0.75 4.18 4.33 2dcuA1 ILE 14 HB -0.51 -0.09 -0.03 -0.04 1.89 1.22 2dcuA1 ILE 14 HG12 -0.14 0.09 -0.23 -0.04 1.49 1.17 2dcuA1 ILE 14 HG13 -0.31 0.01 -0.22 -0.04 1.21 0.65 2dcuA1 ILE 14 HG23 0.02 -0.01 -0.34 -0.04 0.93 0.56 2dcuA1 ILE 14 HD13 -0.33 0.01 -0.15 -0.04 0.88 0.37 2dcuA1 GLY 15 H -0.04 0.69 0.42 -0.55 8.43 8.95 2dcuA1 GLY 15 HA2 -0.06 0.08 0.78 -0.51 4.01 4.30 2dcuA1 GLY 15 HA3 -0.06 0.07 0.38 -0.51 4.01 3.89 2dcuA1 MET 16 H -0.02 0.59 0.22 -0.55 8.47 8.71 2dcuA1 MET 16 HA 0.04 0.16 0.84 -0.75 4.52 4.81 2dcuA1 MET 16 HB2 -0.00 0.01 0.14 -0.04 2.15 2.25 2dcuA1 MET 16 HB3 -0.00 -0.11 0.00 -0.04 2.03 1.88 2dcuA1 MET 16 HG2 0.18 0.03 -0.17 -0.04 2.63 2.63 2dcuA1 MET 16 HG3 -0.00 -0.04 -0.11 -0.04 2.56 2.37 2dcuA1 MET 16 HE3 -0.11 -0.03 -0.11 -0.04 2.10 1.81 2dcuA1 VAL 17 H -0.01 0.48 0.15 -0.55 8.24 8.31 2dcuA1 VAL 17 HA -0.19 0.19 1.01 -0.75 4.13 4.38 2dcuA1 VAL 17 HB -0.41 -0.06 -0.00 -0.04 2.12 1.60 2dcuA1 VAL 17 HG13 -0.18 0.02 -0.33 -0.04 0.97 0.43 2dcuA1 VAL 17 HG23 0.00 0.01 -0.25 -0.04 0.95 0.67 2dcuA1 GLY 18 H 0.09 0.35 0.25 -0.55 8.43 8.57 2dcuA1 GLY 18 HA2 0.22 0.05 0.37 -0.51 4.01 4.14 2dcuA1 GLY 18 HA3 0.12 0.24 0.65 -0.51 4.01 4.51 2dcuA1 HIS 19 H -0.12 0.22 0.25 -0.55 8.41 8.22 2dcuA1 HIS 19 HA -0.17 0.06 0.38 -0.75 4.63 4.15 2dcuA1 HIS 19 HB2 -0.75 0.12 0.25 -0.04 3.26 2.84 2dcuA1 HIS 19 HB3 -1.18 -0.15 0.17 -0.04 3.20 1.99 2dcuA1 HIS 19 HD2 -0.09 -0.12 -0.01 -0.04 6.97 6.70 2dcuA1 HIS 19 HE1 -0.12 0.08 0.06 -0.04 7.75 7.73 2dcuA1 VAL 20 H -1.47 0.14 0.20 -0.55 8.24 6.56 2dcuA1 VAL 20 HA -0.11 0.22 0.61 -0.75 4.13 4.09 2dcuA1 VAL 20 HB -0.40 -0.03 0.20 -0.04 2.12 1.86 2dcuA1 VAL 20 HG13 -0.16 0.02 0.01 -0.04 0.97 0.79 2dcuA1 VAL 20 HG23 -0.04 0.02 0.17 -0.04 0.95 1.05 2dcuA1 ASP 21 H 0.09 -0.15 -0.42 -0.55 8.40 7.37 2dcuA1 ASP 21 HA 0.07 0.17 0.58 -0.75 4.63 4.69 2dcuA1 ASP 21 HB2 0.25 -0.06 -0.11 -0.04 2.71 2.75 2dcuA1 ASP 21 HB3 0.14 0.05 0.04 -0.04 2.70 2.89 2dcuA1 HIS 22 H 0.18 -0.00 -0.03 -0.55 8.41 8.01 2dcuA1 HIS 22 HA 0.04 0.15 0.40 -0.75 4.63 4.46 2dcuA1 HIS 22 HB2 0.08 0.13 0.02 -0.04 3.26 3.45 2dcuA1 HIS 22 HB3 0.04 0.03 -0.05 -0.04 3.20 3.17 2dcuA1 HIS 22 HD2 0.06 -0.02 -0.13 -0.04 6.97 6.84 2dcuA1 HIS 22 HE1 -0.08 0.32 0.13 -0.04 7.75 8.07 2dcuA1 GLY 23 H 0.10 -0.05 -0.53 -0.55 8.43 7.40 2dcuA1 GLY 23 HA2 0.03 0.04 0.12 -0.51 4.01 3.69 2dcuA1 GLY 23 HA3 0.04 0.24 0.87 -0.51 4.01 4.64 2dcuA1 LYS 24 H 0.04 0.10 -0.06 -0.55 8.42 7.95 2dcuA1 LYS 24 HA 0.00 0.15 0.29 -0.75 4.32 4.01 2dcuA1 LYS 24 HB2 -0.01 0.08 -0.15 -0.04 1.87 1.75 2dcuA1 LYS 24 HB3 0.01 0.11 -0.13 -0.04 1.79 1.74 2dcuA1 LYS 24 HG2 0.04 -0.07 -0.05 -0.04 1.46 1.34 2dcuA1 LYS 24 HG3 0.01 -0.15 0.01 -0.04 1.46 1.28 2dcuA1 LYS 24 HD2 -0.00 -0.01 -0.21 -0.04 1.69 1.43 2dcuA1 LYS 24 HD3 0.02 0.18 -0.08 -0.04 1.68 1.76 2dcuA1 LYS 24 HE2 -0.02 0.09 0.01 -0.04 2.99 3.03 2dcuA1 LYS 24 HE3 -0.01 -0.12 -0.08 -0.04 2.99 2.75 2dcuA1 THR 25 H -0.00 0.06 -0.17 -0.55 8.28 7.62 2dcuA1 THR 25 HA -0.03 0.14 0.33 -0.75 4.39 4.08 2dcuA1 THR 25 HB -0.01 -0.03 -0.06 -0.04 4.32 4.19 2dcuA1 THR 25 HG23 -0.01 0.03 -0.13 -0.04 1.22 1.07 2dcuA1 THR 26 H -0.02 0.03 -0.44 -0.55 8.28 7.30 2dcuA1 THR 26 HA -0.03 0.12 0.39 -0.75 4.39 4.11 2dcuA1 THR 26 HB -0.02 0.03 0.05 -0.04 4.32 4.33 2dcuA1 THR 26 HG23 -0.04 0.02 -0.23 -0.04 1.22 0.92 2dcuA1 LEU 27 H -0.04 0.38 -0.12 -0.55 8.37 8.05 2dcuA1 LEU 27 HA -0.07 0.04 0.33 -0.75 4.35 3.89 2dcuA1 LEU 27 HB2 -0.04 -0.08 0.06 -0.04 1.64 1.54 2dcuA1 LEU 27 HB3 -0.07 0.14 0.04 -0.04 1.64 1.71 2dcuA1 LEU 27 HG -0.13 0.07 -0.23 -0.04 1.64 1.30 2dcuA1 LEU 27 HD13 -0.03 -0.03 -0.07 -0.04 0.93 0.76 2dcuA1 LEU 27 HD23 -0.02 0.00 -0.14 -0.04 0.89 0.69 2dcuA1 THR 28 H -0.10 0.32 -0.38 -0.55 8.28 7.57 2dcuA1 THR 28 HA -0.39 0.07 0.32 -0.75 4.39 3.63 2dcuA1 THR 28 HB -0.07 0.02 0.09 -0.04 4.32 4.32 2dcuA1 THR 28 HG23 -0.07 0.01 -0.16 -0.04 1.22 0.97 2dcuA1 LYS 29 H -0.06 0.44 -0.08 -0.55 8.42 8.17 2dcuA1 LYS 29 HA -0.02 0.07 0.31 -0.75 4.32 3.92 2dcuA1 LYS 29 HB2 -0.04 0.07 0.15 -0.04 1.87 2.02 2dcuA1 LYS 29 HB3 -0.03 -0.03 -0.04 -0.04 1.79 1.65 2dcuA1 LYS 29 HG2 -0.01 0.04 -0.04 -0.04 1.46 1.41 2dcuA1 LYS 29 HG3 -0.02 0.13 0.07 -0.04 1.46 1.59 2dcuA1 LYS 29 HD2 -0.02 -0.02 -0.04 -0.04 1.69 1.56 2dcuA1 LYS 29 HD3 -0.01 -0.01 -0.08 -0.04 1.68 1.54 2dcuA1 LYS 29 HE2 -0.00 0.00 -0.10 -0.04 2.99 2.85 2dcuA1 LYS 29 HE3 -0.01 -0.06 -0.11 -0.04 2.99 2.77 2dcuA1 ALA 30 H -0.06 0.57 -0.18 -0.55 8.40 8.19 2dcuA1 ALA 30 HA -0.05 -0.02 0.35 -0.75 4.34 3.87 2dcuA1 ALA 30 HB3 -0.05 0.01 0.06 -0.04 1.41 1.39 2dcuA1 LEU 31 H -0.10 0.46 -0.38 -0.55 8.37 7.80 2dcuA1 LEU 31 HA 0.01 0.03 0.69 -0.75 4.35 4.33 2dcuA1 LEU 31 HB2 -0.29 0.12 0.07 -0.04 1.64 1.50 2dcuA1 LEU 31 HB3 0.00 -0.06 0.01 -0.04 1.64 1.55 2dcuA1 LEU 31 HG -0.12 0.17 0.01 -0.04 1.64 1.66 2dcuA1 LEU 31 HD13 -0.19 -0.03 -0.12 -0.04 0.93 0.55 2dcuA1 LEU 31 HD23 0.03 -0.03 -0.09 -0.04 0.89 0.75 2dcuA1 THR 32 H -0.02 0.40 0.02 -0.55 8.28 8.14 2dcuA1 THR 32 HA 0.32 0.24 1.06 -0.75 4.39 5.26 2dcuA1 THR 32 HB 0.20 0.09 0.04 -0.04 4.32 4.61 2dcuA1 THR 32 HG23 0.14 -0.01 -0.25 -0.04 1.22 1.05 2dcuA1 GLY 33 H -0.02 0.93 0.16 -0.55 8.43 8.95 2dcuA1 GLY 33 HA2 -0.02 -0.02 0.38 -0.51 4.01 3.85 2dcuA1 GLY 33 HA3 -0.06 0.00 0.33 -0.51 4.01 3.77 2dcuA1 VAL 34 H -0.24 0.15 -0.30 -0.55 8.24 7.30 2dcuA1 VAL 34 HA -0.27 0.04 0.38 -0.75 4.13 3.52 2dcuA1 VAL 34 HB -0.39 -0.05 0.09 -0.04 2.12 1.73 2dcuA1 VAL 34 HG13 -1.43 0.01 -0.06 -0.04 0.97 -0.56 2dcuA1 VAL 34 HG23 -0.56 -0.03 0.16 -0.04 0.95 0.48 2dcuA1 TRP 35 H 0.03 0.76 -0.56 -0.55 7.97 7.65 2dcuA1 TRP 35 HA 0.04 0.10 0.87 -0.75 4.62 4.88 2dcuA1 TRP 35 HB2 0.07 0.28 0.16 -0.04 3.23 3.69 2dcuA1 TRP 35 HB3 0.06 -0.12 0.11 -0.04 3.23 3.24 2dcuA1 TRP 35 HD1 0.08 0.19 0.25 -0.04 7.22 7.70 2dcuA1 TRP 35 HE1 0.06 0.29 0.20 -0.04 10.20 10.71 2dcuA1 TRP 35 HE3 0.05 -0.03 0.10 -0.04 7.59 7.68 2dcuA1 TRP 35 HZ2 0.06 0.05 -0.13 -0.04 7.44 7.38 2dcuA1 TRP 35 HZ3 0.06 -0.05 0.02 -0.04 7.13 7.12 2dcuA1 TRP 35 HH2 0.08 -0.07 -0.04 -0.04 7.19 7.12 2dcuA1 THR 36 H 0.08 0.22 -0.19 -0.55 8.28 7.84 2dcuA1 THR 36 HA 0.11 0.04 0.69 -0.75 4.39 4.48 2dcuA1 THR 36 HB 0.04 0.05 0.17 -0.04 4.32 4.54 2dcuA1 THR 36 HG23 0.05 -0.08 -0.27 -0.04 1.22 0.87 2dcuA1 ASP 37 H 0.09 0.10 0.03 -0.55 8.40 8.06 2dcuA1 ASP 37 HA 0.03 0.27 1.09 -0.75 4.63 5.26 2dcuA1 ASP 37 HB2 0.05 -0.01 -0.03 -0.04 2.71 2.67 2dcuA1 ASP 37 HB3 0.06 0.03 -0.00 -0.04 2.70 2.74 2dcuA1 THR 38 H 0.05 0.15 0.07 -0.55 8.28 8.00 2dcuA1 THR 38 HA -0.00 0.19 1.09 -0.75 4.39 4.91 2dcuA1 THR 38 HB 0.08 0.02 -0.07 -0.04 4.32 4.30 2dcuA1 THR 38 HG23 0.03 -0.00 -0.17 -0.04 1.22 1.03 2dcuA1 HIS 39 H -0.12 0.16 0.05 -0.55 8.41 7.97 2dcuA1 HIS 39 HA 0.01 -0.01 0.23 -0.75 4.63 4.11 2dcuA1 HIS 39 HB2 -0.00 0.08 -0.26 -0.04 3.26 3.05 2dcuA1 HIS 39 HB3 -0.01 0.03 0.24 -0.04 3.20 3.42 2dcuA1 HIS 39 HD2 0.01 -0.00 -0.07 -0.04 6.97 6.86 2dcuA1 HIS 39 HE1 0.01 -0.00 -0.02 -0.04 7.75 7.70 2dcuA1 SER 40 H -0.02 0.08 -0.42 -0.55 8.46 7.55 2dcuA1 SER 40 HA 0.04 0.06 0.41 -0.75 4.49 4.24 2dcuA1 SER 40 HB2 0.05 -0.09 -0.26 -0.04 3.95 3.61 2dcuA1 SER 40 HB3 0.05 0.10 -0.14 -0.04 3.93 3.90 2dcuA1 GLU 41 H -0.00 0.08 0.05 -0.55 8.60 8.18 2dcuA1 GLU 41 HA -0.01 0.12 0.53 -0.75 4.29 4.17 2dcuA1 GLU 41 HB2 -0.00 0.00 0.09 -0.04 2.09 2.14 2dcuA1 GLU 41 HB3 -0.01 0.01 0.08 -0.04 1.99 2.03 2dcuA1 GLU 41 HG2 -0.02 0.02 0.04 -0.04 2.34 2.33 2dcuA1 GLU 41 HG3 -0.03 0.05 0.02 -0.04 2.34 2.34 2dcuA1 GLU 42 H 0.00 0.10 0.10 -0.55 8.60 8.25 2dcuA1 GLU 42 HA 0.03 0.15 0.05 -0.75 4.29 3.77 2dcuA1 GLU 42 HB2 0.01 0.06 0.13 -0.04 2.09 2.25 2dcuA1 GLU 42 HB3 -0.01 -0.00 0.17 -0.04 1.99 2.12 2dcuA1 GLU 42 HG2 0.00 0.02 -0.24 -0.04 2.34 2.08 2dcuA1 GLU 42 HG3 -0.00 -0.05 -0.20 -0.04 2.34 2.04 2dcuA1 LEU 43 H 0.02 0.17 -0.14 -0.55 8.37 7.88 2dcuA1 LEU 43 HA 0.04 0.13 0.53 -0.75 4.35 4.29 2dcuA1 LEU 43 HB2 0.01 -0.10 -0.20 -0.04 1.64 1.31 2dcuA1 LEU 43 HB3 0.01 -0.05 -0.13 -0.04 1.64 1.43 2dcuA1 LEU 43 HG 0.00 -0.12 -0.11 -0.04 1.64 1.37 2dcuA1 LEU 43 HD13 0.01 -0.03 -0.06 -0.04 0.93 0.80 2dcuA1 LEU 43 HD23 0.04 0.14 0.10 -0.04 0.89 1.12 2dcuA1 ARG 44 H 0.04 0.30 0.11 -0.55 8.46 8.36 2dcuA1 ARG 44 HA 0.03 -0.00 0.52 -0.75 4.34 4.13 2dcuA1 ARG 44 HB2 0.04 0.00 0.10 -0.04 1.90 2.00 2dcuA1 ARG 44 HB3 0.04 0.01 -0.39 -0.04 1.80 1.42 2dcuA1 ARG 44 HG2 0.06 0.08 -0.10 -0.04 1.67 1.66 2dcuA1 ARG 44 HG3 0.06 -0.02 -0.10 -0.04 1.67 1.57 2dcuA1 ARG 44 HD2 0.06 -0.05 -0.02 -0.04 3.22 3.18 2dcuA1 ARG 44 HD3 0.07 0.13 -0.42 -0.04 3.22 2.96 2dcuA1 ARG 45 H 0.03 0.06 0.12 -0.55 8.46 8.12 2dcuA1 ARG 45 HA 0.04 0.18 0.76 -0.75 4.34 4.56 2dcuA1 ARG 45 HB2 0.02 0.07 0.05 -0.04 1.90 2.00 2dcuA1 ARG 45 HB3 0.02 0.02 0.18 -0.04 1.80 1.98 2dcuA1 ARG 45 HG2 0.01 -0.08 -0.01 -0.04 1.67 1.56 2dcuA1 ARG 45 HG3 0.02 0.00 0.13 -0.04 1.67 1.78 2dcuA1 ARG 45 HD2 0.01 0.13 0.11 -0.04 3.22 3.43 2dcuA1 ARG 45 HD3 0.01 -0.10 0.04 -0.04 3.22 3.14 2dcuA1 GLY 46 H 0.03 0.79 -0.07 -0.55 8.43 8.63 2dcuA1 GLY 46 HA2 0.05 0.10 0.19 -0.51 4.01 3.85 2dcuA1 GLY 46 HA3 0.05 0.16 0.15 -0.51 4.01 3.86 2dcuA1 ILE 47 H 0.03 0.17 0.01 -0.55 8.25 7.91 2dcuA1 ILE 47 HA -0.00 0.16 0.69 -0.75 4.18 4.28 2dcuA1 ILE 47 HB -0.03 -0.01 0.11 -0.04 1.89 1.92 2dcuA1 ILE 47 HG12 -0.06 0.08 0.14 -0.04 1.49 1.61 2dcuA1 ILE 47 HG13 -0.04 0.02 0.03 -0.04 1.21 1.18 2dcuA1 ILE 47 HG23 -0.02 0.04 0.22 -0.04 0.93 1.13 2dcuA1 ILE 47 HD13 -0.05 0.00 0.03 -0.04 0.88 0.82 2dcuA1 THR 48 H -0.03 0.18 0.09 -0.55 8.28 7.98 2dcuA1 THR 48 HA -0.02 0.22 0.82 -0.75 4.39 4.65 2dcuA1 THR 48 HB -0.05 0.05 -0.03 -0.04 4.32 4.25 2dcuA1 THR 48 HG23 -0.06 -0.01 0.00 -0.04 1.22 1.11 2dcuA1 ILE 49 H -0.01 0.19 -0.02 -0.55 8.25 7.85 2dcuA1 ILE 49 HA -0.02 0.11 0.58 -0.75 4.18 4.10 2dcuA1 ILE 49 HB -0.00 0.10 0.13 -0.04 1.89 2.08 2dcuA1 ILE 49 HG12 -0.00 -0.05 0.03 -0.04 1.49 1.43 2dcuA1 ILE 49 HG13 -0.02 0.00 0.02 -0.04 1.21 1.17 2dcuA1 ILE 49 HG23 0.05 -0.02 0.09 -0.04 0.93 1.01 2dcuA1 ILE 49 HD13 -0.02 0.04 -0.04 -0.04 0.88 0.82 2dcuA1 LYS 50 H -0.00 0.34 -0.22 -0.55 8.42 7.98 2dcuA1 LYS 50 HA 0.02 0.03 -0.07 -0.75 4.32 3.55 2dcuA1 LYS 50 HB2 0.01 0.11 0.02 -0.04 1.87 1.96 2dcuA1 LYS 50 HB3 0.01 -0.09 -0.00 -0.04 1.79 1.66 2dcuA1 LYS 50 HG2 0.02 -0.21 0.06 -0.04 1.46 1.29 2dcuA1 LYS 50 HG3 0.02 0.32 -0.06 -0.04 1.46 1.70 2dcuA1 LYS 50 HD2 0.02 -0.03 0.03 -0.04 1.69 1.67 2dcuA1 LYS 50 HD3 0.02 -0.03 0.05 -0.04 1.68 1.67 2dcuA1 LYS 50 HE2 0.02 -0.05 -0.02 -0.04 2.99 2.90 2dcuA1 LYS 50 HE3 0.02 0.23 0.02 -0.04 2.99 3.22 2dcuA1 ILE 51 H 0.03 0.52 -1.69 -0.55 8.25 6.56 2dcuA1 ILE 51 HA -0.02 0.02 0.25 -0.75 4.18 3.68 2dcuA1 ILE 51 HB 0.02 -0.06 -0.08 -0.04 1.89 1.74 2dcuA1 ILE 51 HG12 -0.17 0.01 -0.33 -0.04 1.49 0.96 2dcuA1 ILE 51 HG13 -0.16 -0.03 -0.11 -0.04 1.21 0.87 2dcuA1 ILE 51 HG23 0.22 0.09 -0.04 -0.04 0.93 1.17 2dcuA1 ILE 51 HD13 -0.02 0.00 -0.13 -0.04 0.88 0.69 2dcuA1 GLY 52 H -0.06 0.35 0.24 -0.55 8.43 8.41 2dcuA1 GLY 52 HA2 0.18 0.14 0.90 -0.51 4.01 4.72 2dcuA1 GLY 52 HA3 0.06 0.10 0.38 -0.51 4.01 4.04 2dcuA1 PHE 53 H 0.38 0.18 0.10 -0.55 8.34 8.45 2dcuA1 PHE 53 HA 0.06 0.32 1.04 -0.75 4.62 5.29 2dcuA1 PHE 53 HB2 0.04 -0.02 0.07 -0.04 3.15 3.19 2dcuA1 PHE 53 HB3 0.04 -0.05 -0.13 -0.04 3.06 2.88 2dcuA1 PHE 53 HD2 0.02 -0.07 -0.25 -0.04 7.28 6.94 2dcuA1 PHE 53 HE2 0.00 0.04 -0.18 -0.04 7.38 7.20 2dcuA1 PHE 53 HZ -0.00 0.04 -0.13 -0.04 7.32 7.18 2dcuA1 ALA 54 H 0.13 0.77 0.31 -0.55 8.40 9.06 2dcuA1 ALA 54 HA 0.16 0.18 1.01 -0.75 4.34 4.94 2dcuA1 ALA 54 HB3 0.14 -0.00 0.01 -0.04 1.41 1.53 2dcuA1 ASP 55 H 0.17 0.19 0.19 -0.55 8.40 8.40 2dcuA1 ASP 55 HA 0.11 0.20 0.89 -0.75 4.63 5.08 2dcuA1 ASP 55 HB2 0.12 0.07 0.17 -0.04 2.71 3.02 2dcuA1 ASP 55 HB3 0.01 0.03 0.05 -0.04 2.70 2.74 2dcuA1 ALA 56 H 0.01 0.58 0.38 -0.55 8.40 8.83 2dcuA1 ALA 56 HA 0.23 0.11 0.66 -0.75 4.34 4.59 2dcuA1 ALA 56 HB3 0.43 0.02 -0.12 -0.04 1.41 1.69 2dcuA1 GLU 57 H -0.97 0.24 0.14 -0.55 8.60 7.47 2dcuA1 GLU 57 HA -0.32 0.17 1.13 -0.75 4.29 4.52 2dcuA1 GLU 57 HB2 -1.27 -0.01 0.13 -0.04 2.09 0.90 2dcuA1 GLU 57 HB3 -0.29 -0.00 -0.06 -0.04 1.99 1.60 2dcuA1 GLU 57 HG2 -0.01 0.08 -0.01 -0.04 2.34 2.37 2dcuA1 GLU 57 HG3 -0.85 -0.06 -0.07 -0.04 2.34 1.31 2dcuA1 ILE 58 H -0.18 0.33 0.26 -0.55 8.25 8.11 2dcuA1 ILE 58 HA 0.08 0.09 0.56 -0.75 4.18 4.16 2dcuA1 ILE 58 HB -0.10 -0.03 0.12 -0.04 1.89 1.84 2dcuA1 ILE 58 HG12 0.10 -0.04 -0.09 -0.04 1.49 1.42 2dcuA1 ILE 58 HG13 -0.01 -0.01 -0.04 -0.04 1.21 1.11 2dcuA1 ILE 58 HG23 0.16 -0.01 -0.19 -0.04 0.93 0.85 2dcuA1 ILE 58 HD13 0.01 0.03 -0.14 -0.04 0.88 0.74 2dcuA1 ARG 59 H 0.07 0.57 0.41 -0.55 8.46 8.96 2dcuA1 ARG 59 HA -0.13 0.23 1.03 -0.75 4.34 4.72 2dcuA1 ARG 59 HB2 0.07 -0.06 -0.18 -0.04 1.90 1.69 2dcuA1 ARG 59 HB3 0.03 -0.02 -0.27 -0.04 1.80 1.51 2dcuA1 ARG 59 HG2 -0.02 -0.03 -0.70 -0.04 1.67 0.88 2dcuA1 ARG 59 HG3 0.19 0.28 -0.28 -0.04 1.67 1.81 2dcuA1 ARG 59 HD2 0.46 0.01 -0.29 -0.04 3.22 3.36 2dcuA1 ARG 59 HD3 0.27 0.01 -0.47 -0.04 3.22 2.99 2dcuA1 ARG 60 H -0.16 0.56 0.26 -0.55 8.46 8.58 2dcuA1 ARG 60 HA -0.51 0.19 0.92 -0.75 4.34 4.19 2dcuA1 ARG 60 HB2 -0.97 0.05 -0.14 -0.04 1.90 0.80 2dcuA1 ARG 60 HB3 -0.28 0.02 0.04 -0.04 1.80 1.54 2dcuA1 ARG 60 HG2 -0.20 0.03 -0.65 -0.04 1.67 0.80 2dcuA1 ARG 60 HG3 -0.40 0.06 -0.23 -0.04 1.67 1.06 2dcuA1 ARG 60 HD2 -0.09 0.03 -0.11 -0.04 3.22 3.00 2dcuA1 ARG 60 HD3 -0.10 -0.05 -0.15 -0.04 3.22 2.87 2dcuA1 CYS 61 H -0.09 0.89 0.20 -0.55 8.50 8.95 2dcuA1 CYS 61 HA 0.01 0.08 0.47 -0.75 4.58 4.39 2dcuA1 CYS 61 HB2 0.07 0.14 0.14 -0.04 2.97 3.28 2dcuA1 CYS 61 HB3 0.01 -0.26 0.26 -0.04 2.97 2.94 2dcuA1 SER 62 H 0.00 0.33 0.29 -0.55 8.46 8.54 2dcuA1 SER 62 HA -0.03 0.16 0.42 -0.75 4.49 4.29 2dcuA1 SER 62 HB2 -0.00 0.01 0.06 -0.04 3.95 3.97 2dcuA1 SER 62 HB3 0.00 0.06 0.11 -0.04 3.93 4.06 2dcuA1 ASN 63 H -0.06 -0.07 -0.18 -0.55 8.53 7.68 2dcuA1 ASN 63 HA -0.12 0.26 0.71 -0.75 4.76 4.86 2dcuA1 ASN 63 HB2 -0.50 0.03 0.05 -0.04 2.88 2.41 2dcuA1 ASN 63 HB3 -0.30 -0.17 0.09 -0.04 2.79 2.37 2dcuA1 ASN 63 HD21 -0.17 0.05 -0.08 -0.04 7.03 6.79 2dcuA1 ASN 63 HD22 -0.23 -0.14 -0.08 -0.04 7.74 7.25 2dcuA1 CYS 64 H -0.05 -0.09 0.02 -0.55 8.50 7.83 2dcuA1 CYS 64 HA -0.05 0.25 0.74 -0.75 4.58 4.76 2dcuA1 CYS 64 HB2 -0.07 0.08 0.09 -0.04 2.97 3.03 2dcuA1 CYS 64 HB3 -0.03 -0.03 0.07 -0.04 2.97 2.94 2dcuA1 GLY 65 H -0.03 0.08 -0.14 -0.55 8.43 7.79 2dcuA1 GLY 65 HA2 -0.03 0.24 0.25 -0.51 4.01 3.97 2dcuA1 GLY 65 HA3 -0.01 0.13 0.51 -0.51 4.01 4.13 2dcuA1 ARG 66 H -0.02 -0.13 -0.07 -0.55 8.46 7.70 2dcuA1 ARG 66 HA 0.13 0.26 0.82 -0.75 4.34 4.80 2dcuA1 ARG 66 HB2 -0.10 -0.13 0.03 -0.04 1.90 1.66 2dcuA1 ARG 66 HB3 -0.05 0.03 0.07 -0.04 1.80 1.81 2dcuA1 ARG 66 HG2 -0.06 0.15 -0.26 -0.04 1.67 1.46 2dcuA1 ARG 66 HG3 -0.18 -0.05 -0.12 -0.04 1.67 1.27 2dcuA1 ARG 66 HD2 -0.19 -0.03 -0.00 -0.04 3.22 2.96 2dcuA1 ARG 66 HD3 -0.16 0.06 -0.04 -0.04 3.22 3.04 2dcuA1 TYR 67 H 0.34 0.14 0.20 -0.55 8.29 8.41 2dcuA1 TYR 67 HA 0.06 0.31 1.03 -0.75 4.56 5.22 2dcuA1 TYR 67 HB2 0.05 0.02 0.16 -0.04 3.06 3.24 2dcuA1 TYR 67 HB3 0.05 0.05 -0.01 -0.04 2.98 3.04 2dcuA1 TYR 67 HD2 0.01 -0.05 -0.10 -0.04 7.15 6.97 2dcuA1 TYR 67 HE2 -0.01 0.05 -0.10 -0.04 6.85 6.75 2dcuA1 SER 68 H 0.15 0.71 0.40 -0.55 8.46 9.17 2dcuA1 SER 68 HA 0.17 0.07 0.52 -0.75 4.49 4.49 2dcuA1 SER 68 HB2 0.09 -0.04 0.17 -0.04 3.95 4.12 2dcuA1 SER 68 HB3 0.19 0.02 -0.25 -0.04 3.93 3.86 2dcuA1 THR 69 H 0.12 0.14 0.14 -0.55 8.28 8.12 2dcuA1 THR 69 HA 0.27 0.33 0.85 -0.75 4.39 5.08 2dcuA1 THR 69 HB 0.20 -0.08 -0.00 -0.04 4.32 4.39 2dcuA1 THR 69 HG23 0.08 -0.06 0.05 -0.04 1.22 1.24 2dcuA1 SER 70 H 0.12 -0.03 -0.17 -0.55 8.46 7.84 2dcuA1 SER 70 HA -0.01 0.34 1.03 -0.75 4.49 5.09 2dcuA1 SER 70 HB2 -0.08 0.07 0.01 -0.04 3.95 3.90 2dcuA1 SER 70 HB3 -0.01 -0.14 0.01 -0.04 3.93 3.75 2dcuA1 PRO 71 HA 0.17 0.07 0.37 -0.51 4.44 4.54 2dcuA1 PRO 71 HB2 -0.01 -0.01 0.06 -0.04 2.28 2.28 2dcuA1 PRO 71 HB3 0.10 0.03 0.06 -0.04 2.02 2.17 2dcuA1 PRO 71 HG2 -0.25 0.07 0.09 -0.04 2.03 1.91 2dcuA1 PRO 71 HG3 0.16 0.08 0.04 -0.04 2.03 2.27 2dcuA1 PRO 71 HD2 -0.19 0.07 0.21 -0.04 3.68 3.73 2dcuA1 PRO 71 HD3 -0.32 0.28 0.26 -0.04 3.65 3.83 2dcuA1 ILE 72 H -0.01 0.16 -0.15 -0.55 8.25 7.69 2dcuA1 ILE 72 HA 0.04 0.22 0.83 -0.75 4.18 4.51 2dcuA1 ILE 72 HB -0.02 -0.05 0.02 -0.04 1.89 1.80 2dcuA1 ILE 72 HG12 0.01 0.04 -0.14 -0.04 1.49 1.36 2dcuA1 ILE 72 HG13 -0.01 -0.10 -0.16 -0.04 1.21 0.90 2dcuA1 ILE 72 HG23 0.00 0.08 -0.25 -0.04 0.93 0.72 2dcuA1 ILE 72 HD13 -0.02 0.01 -0.04 -0.04 0.88 0.79 2dcuA1 CYS 73 H 0.07 0.61 0.02 -0.55 8.50 8.66 2dcuA1 CYS 73 HA 0.09 0.09 0.23 -0.75 4.58 4.23 2dcuA1 CYS 73 HB2 0.12 0.09 0.03 -0.04 2.97 3.17 2dcuA1 CYS 73 HB3 0.13 -0.31 0.11 -0.04 2.97 2.87 2dcuA1 PRO 74 HA -0.16 0.16 0.40 -0.51 4.44 4.33 2dcuA1 PRO 74 HB2 -1.14 -0.06 0.04 -0.04 2.28 1.08 2dcuA1 PRO 74 HB3 -0.35 0.06 0.10 -0.04 2.02 1.79 2dcuA1 PRO 74 HG2 -0.16 -0.03 0.07 -0.04 2.03 1.87 2dcuA1 PRO 74 HG3 -0.12 0.11 0.08 -0.04 2.03 2.06 2dcuA1 PRO 74 HD2 0.04 -0.00 0.11 -0.04 3.68 3.78 2dcuA1 PRO 74 HD3 0.02 0.17 0.05 -0.04 3.65 3.84 2dcuA1 TYR 75 H 0.02 -0.09 -0.37 -0.55 8.29 7.31 2dcuA1 TYR 75 HA 0.02 0.25 0.71 -0.75 4.56 4.79 2dcuA1 TYR 75 HB2 0.02 -0.17 0.12 -0.04 3.06 3.00 2dcuA1 TYR 75 HB3 0.02 0.07 0.01 -0.04 2.98 3.04 2dcuA1 TYR 75 HD2 0.02 -0.02 -0.01 -0.04 7.15 7.10 2dcuA1 TYR 75 HE2 0.04 0.04 -0.02 -0.04 6.85 6.86 2dcuA1 CYS 76 H 0.24 -0.04 0.05 -0.55 8.50 8.19 2dcuA1 CYS 76 HA 0.12 0.16 0.46 -0.75 4.58 4.56 2dcuA1 CYS 76 HB2 0.12 0.08 0.03 -0.04 2.97 3.16 2dcuA1 CYS 76 HB3 0.06 0.03 0.09 -0.04 2.97 3.11 2dcuA1 GLY 77 H 0.14 -0.03 -0.15 -0.55 8.43 7.84 2dcuA1 GLY 77 HA2 0.04 0.21 0.14 -0.51 4.01 3.90 2dcuA1 GLY 77 HA3 0.05 0.22 0.78 -0.51 4.01 4.55 2dcuA1 HIS 78 H 0.32 -0.12 -0.07 -0.55 8.41 7.99 2dcuA1 HIS 78 HA 0.02 0.20 0.54 -0.75 4.63 4.63 2dcuA1 HIS 78 HB2 0.03 -0.19 0.06 -0.04 3.26 3.13 2dcuA1 HIS 78 HB3 0.02 0.06 0.16 -0.04 3.20 3.40 2dcuA1 HIS 78 HD2 0.01 0.03 0.02 -0.04 6.97 6.99 2dcuA1 HIS 78 HE1 0.02 0.05 -0.06 -0.04 7.75 7.72 2dcuA1 GLU 79 H 0.11 0.11 0.19 -0.55 8.60 8.46 2dcuA1 GLU 79 HA 0.06 0.21 0.66 -0.75 4.29 4.47 2dcuA1 GLU 79 HB2 0.05 -0.08 0.21 -0.04 2.09 2.23 2dcuA1 GLU 79 HB3 0.06 0.07 0.03 -0.04 1.99 2.11 2dcuA1 GLU 79 HG2 0.06 0.10 0.08 -0.04 2.34 2.53 2dcuA1 GLU 79 HG3 0.04 0.01 0.07 -0.04 2.34 2.42 2dcuA1 THR 80 H 0.08 0.64 0.34 -0.55 8.28 8.79 2dcuA1 THR 80 HA 0.04 -0.03 0.75 -0.75 4.39 4.40 2dcuA1 THR 80 HB 0.03 -0.09 -0.22 -0.04 4.32 4.00 2dcuA1 THR 80 HG23 0.07 -0.05 -0.23 -0.04 1.22 0.96 2dcuA1 GLU 81 H -0.01 0.38 0.20 -0.55 8.60 8.61 2dcuA1 GLU 81 HA 0.08 0.17 1.00 -0.75 4.29 4.78 2dcuA1 GLU 81 HB2 -0.02 0.00 0.10 -0.04 2.09 2.13 2dcuA1 GLU 81 HB3 0.04 0.09 0.04 -0.04 1.99 2.11 2dcuA1 GLU 81 HG2 0.03 0.05 -0.18 -0.04 2.34 2.21 2dcuA1 GLU 81 HG3 0.01 -0.05 -0.05 -0.04 2.34 2.21 2dcuA1 PHE 82 H 0.20 0.13 0.13 -0.55 8.34 8.25 2dcuA1 PHE 82 HA -0.01 0.09 0.47 -0.75 4.62 4.41 2dcuA1 PHE 82 HB2 -0.02 -0.01 0.05 -0.04 3.15 3.13 2dcuA1 PHE 82 HB3 -0.02 -0.01 0.10 -0.04 3.06 3.09 2dcuA1 PHE 82 HD2 -0.09 -0.01 -0.31 -0.04 7.28 6.83 2dcuA1 PHE 82 HE2 -0.14 0.05 -0.21 -0.04 7.38 7.05 2dcuA1 PHE 82 HZ -0.10 0.12 -0.14 -0.04 7.32 7.16 2dcuA1 ILE 83 H -0.66 0.35 0.38 -0.55 8.25 7.77 2dcuA1 ILE 83 HA -0.04 0.16 0.94 -0.75 4.18 4.49 2dcuA1 ILE 83 HB -0.13 0.12 0.04 -0.04 1.89 1.88 2dcuA1 ILE 83 HG12 -0.07 0.04 -0.24 -0.04 1.49 1.18 2dcuA1 ILE 83 HG13 -0.16 0.03 -0.08 -0.04 1.21 0.96 2dcuA1 ILE 83 HG23 0.02 -0.01 -0.07 -0.04 0.93 0.83 2dcuA1 ILE 83 HD13 -0.14 -0.02 -0.16 -0.04 0.88 0.52 2dcuA1 ARG 84 H -0.93 0.34 0.35 -0.55 8.46 7.67 2dcuA1 ARG 84 HA -0.20 0.13 0.46 -0.75 4.34 3.98 2dcuA1 ARG 84 HB2 -0.10 0.20 -0.13 -0.04 1.90 1.82 2dcuA1 ARG 84 HB3 -0.15 -0.06 -0.11 -0.04 1.80 1.44 2dcuA1 ARG 84 HG2 -0.09 -0.01 -0.09 -0.04 1.67 1.44 2dcuA1 ARG 84 HG3 -0.03 0.04 0.18 -0.04 1.67 1.82 2dcuA1 ARG 84 HD2 -0.04 0.00 0.03 -0.04 3.22 3.18 2dcuA1 ARG 84 HD3 -0.04 0.02 0.02 -0.04 3.22 3.18 2dcuA1 ARG 85 H -0.01 0.32 0.19 -0.55 8.46 8.42 2dcuA1 ARG 85 HA -0.16 0.13 1.06 -0.75 4.34 4.61 2dcuA1 ARG 85 HB2 0.23 0.01 -0.02 -0.04 1.90 2.09 2dcuA1 ARG 85 HB3 0.10 0.28 -0.20 -0.04 1.80 1.93 2dcuA1 ARG 85 HG2 -0.02 -0.17 -0.31 -0.04 1.67 1.12 2dcuA1 ARG 85 HG3 -0.08 0.06 -0.12 -0.04 1.67 1.49 2dcuA1 ARG 85 HD2 -0.23 -0.04 -0.08 -0.04 3.22 2.83 2dcuA1 ARG 85 HD3 -0.06 0.13 -0.02 -0.04 3.22 3.23 2dcuA1 VAL 86 H -0.10 0.72 0.42 -0.55 8.24 8.74 2dcuA1 VAL 86 HA -0.10 0.06 1.10 -0.75 4.13 4.43 2dcuA1 VAL 86 HB -0.29 0.05 0.12 -0.04 2.12 1.95 2dcuA1 VAL 86 HG13 -0.11 0.00 -0.19 -0.04 0.97 0.63 2dcuA1 VAL 86 HG23 -0.19 0.00 -0.08 -0.04 0.95 0.64 2dcuA1 SER 87 H -0.19 0.62 0.33 -0.55 8.46 8.68 2dcuA1 SER 87 HA 0.01 0.31 1.07 -0.75 4.49 5.13 2dcuA1 SER 87 HB2 0.06 -0.04 -0.21 -0.04 3.95 3.72 2dcuA1 SER 87 HB3 0.06 -0.05 0.04 -0.04 3.93 3.94 2dcuA1 PHE 88 H 0.27 0.78 0.35 -0.55 8.34 9.19 2dcuA1 PHE 88 HA -0.05 0.37 0.90 -0.75 4.62 5.08 2dcuA1 PHE 88 HB2 -0.01 -0.03 0.10 -0.04 3.15 3.17 2dcuA1 PHE 88 HB3 -0.03 -0.06 -0.04 -0.04 3.06 2.89 2dcuA1 PHE 88 HD2 0.02 0.09 -0.11 -0.04 7.28 7.23 2dcuA1 PHE 88 HE2 0.04 0.01 -0.18 -0.04 7.38 7.21 2dcuA1 PHE 88 HZ 0.04 0.00 -0.16 -0.04 7.32 7.16 2dcuA1 ILE 89 H -0.04 0.61 0.33 -0.55 8.25 8.60 2dcuA1 ILE 89 HA -0.36 0.44 1.00 -0.75 4.18 4.51 2dcuA1 ILE 89 HB -0.20 -0.07 0.11 -0.04 1.89 1.69 2dcuA1 ILE 89 HG12 -1.37 0.02 -0.19 -0.04 1.49 -0.10 2dcuA1 ILE 89 HG13 -0.40 0.01 -0.30 -0.04 1.21 0.47 2dcuA1 ILE 89 HG23 -0.28 -0.02 -0.15 -0.04 0.93 0.44 2dcuA1 ILE 89 HD13 -0.21 0.01 -0.20 -0.04 0.88 0.43 2dcuA1 ASP 90 H -0.07 0.51 0.22 -0.55 8.40 8.52 2dcuA1 ASP 90 HA -0.04 0.15 0.90 -0.75 4.63 4.89 2dcuA1 ASP 90 HB2 -0.00 0.00 -0.09 -0.04 2.71 2.58 2dcuA1 ASP 90 HB3 -0.00 0.06 -0.04 -0.04 2.70 2.68 2dcuA1 SER 91 H -0.03 0.14 0.03 -0.55 8.46 8.04 2dcuA1 SER 91 HA -0.01 0.21 0.55 -0.75 4.49 4.48 2dcuA1 SER 91 HB2 -0.04 0.08 -0.34 -0.04 3.95 3.61 2dcuA1 SER 91 HB3 -0.05 -0.08 -0.15 -0.04 3.93 3.61 2dcuA1 PRO 92 HA 0.00 -0.05 0.54 -0.51 4.44 4.42 2dcuA1 PRO 92 HB2 0.01 0.07 0.14 -0.04 2.28 2.46 2dcuA1 PRO 92 HB3 0.01 0.00 0.08 -0.04 2.02 2.07 2dcuA1 PRO 92 HG2 0.01 0.07 0.01 -0.04 2.03 2.08 2dcuA1 PRO 92 HG3 0.00 -0.03 -0.04 -0.04 2.03 1.92 2dcuA1 PRO 92 HD2 0.01 0.17 0.18 -0.04 3.68 4.00 2dcuA1 PRO 92 HD3 0.00 0.14 -0.04 -0.04 3.65 3.72 2dcuA1 GLY 93 H 0.02 0.07 0.12 -0.55 8.43 8.09 2dcuA1 GLY 93 HA2 0.03 -0.02 0.40 -0.51 4.01 3.92 2dcuA1 GLY 93 HA3 0.02 0.26 0.90 -0.51 4.01 4.68 2dcuA1 HIS 94 H 0.11 0.15 0.19 -0.55 8.41 8.31 2dcuA1 HIS 94 HA 0.08 0.11 0.36 -0.75 4.63 4.42 2dcuA1 HIS 94 HB2 -0.06 -0.05 0.18 -0.04 3.26 3.28 2dcuA1 HIS 94 HB3 -0.02 0.00 0.13 -0.04 3.20 3.27 2dcuA1 HIS 94 HD2 -0.02 0.04 -0.10 -0.04 6.97 6.85 2dcuA1 HIS 94 HE1 -0.38 0.06 0.06 -0.04 7.75 7.45 2dcuA1 GLU 95 H 0.02 0.01 -0.38 -0.55 8.60 7.71 2dcuA1 GLU 95 HA -0.19 0.12 0.54 -0.75 4.29 4.01 2dcuA1 GLU 95 HB2 0.03 -0.02 0.11 -0.04 2.09 2.17 2dcuA1 GLU 95 HB3 0.01 -0.02 0.12 -0.04 1.99 2.06 2dcuA1 GLU 95 HG2 0.05 0.15 0.01 -0.04 2.34 2.50 2dcuA1 GLU 95 HG3 -0.01 -0.03 -0.03 -0.04 2.34 2.23 2dcuA1 ALA 96 H -0.01 0.08 -0.02 -0.55 8.40 7.91 2dcuA1 ALA 96 HA -0.02 0.07 0.31 -0.75 4.34 3.95 2dcuA1 ALA 96 HB3 -0.01 0.03 0.00 -0.04 1.41 1.39 2dcuA1 LEU 97 H -0.05 0.43 -0.41 -0.55 8.37 7.79 2dcuA1 LEU 97 HA -0.07 0.03 0.27 -0.75 4.35 3.83 2dcuA1 LEU 97 HB2 -0.05 0.07 -0.01 -0.04 1.64 1.60 2dcuA1 LEU 97 HB3 -0.13 0.01 -0.06 -0.04 1.64 1.42 2dcuA1 LEU 97 HG -0.09 0.02 -0.01 -0.04 1.64 1.51 2dcuA1 LEU 97 HD13 -0.28 0.06 0.04 -0.04 0.93 0.70 2dcuA1 LEU 97 HD23 -0.11 0.01 -0.08 -0.04 0.89 0.67 2dcuA1 MET 98 H -0.11 0.31 -0.15 -0.55 8.47 7.97 2dcuA1 MET 98 HA -0.03 -0.04 0.32 -0.75 4.52 4.02 2dcuA1 MET 98 HB2 -0.16 0.15 0.32 -0.04 2.15 2.42 2dcuA1 MET 98 HB3 -0.07 -0.03 -0.01 -0.04 2.03 1.88 2dcuA1 MET 98 HG2 -0.21 0.05 0.14 -0.04 2.63 2.56 2dcuA1 MET 98 HG3 -0.47 -0.09 0.06 -0.04 2.56 2.01 2dcuA1 MET 98 HE3 0.03 0.01 -0.02 -0.04 2.10 2.07 2dcuA1 THR 99 H -0.05 0.58 -0.17 -0.55 8.28 8.09 2dcuA1 THR 99 HA -0.03 -0.00 0.33 -0.75 4.39 3.94 2dcuA1 THR 99 HB -0.03 0.07 0.05 -0.04 4.32 4.36 2dcuA1 THR 99 HG23 -0.04 -0.00 -0.15 -0.04 1.22 0.99 2dcuA1 THR 100 H -0.04 0.64 -0.11 -0.55 8.28 8.22 2dcuA1 THR 100 HA -0.03 -0.02 0.32 -0.75 4.39 3.91 2dcuA1 THR 100 HB -0.05 0.09 0.12 -0.04 4.32 4.44 2dcuA1 THR 100 HG23 -0.02 -0.01 -0.14 -0.04 1.22 1.00 2dcuA1 MET 101 H -0.06 0.64 -0.11 -0.55 8.47 8.40 2dcuA1 MET 101 HA -0.05 -0.01 0.16 -0.75 4.52 3.86 2dcuA1 MET 101 HB2 -0.05 0.07 0.05 -0.04 2.15 2.18 2dcuA1 MET 101 HB3 -0.05 0.01 -0.18 -0.04 2.03 1.76 2dcuA1 MET 101 HG2 -0.07 -0.02 -0.07 -0.04 2.63 2.42 2dcuA1 MET 101 HG3 -0.09 0.06 -0.11 -0.04 2.56 2.38 2dcuA1 MET 101 HE3 -0.04 -0.03 -0.07 -0.04 2.10 1.92 2dcuA1 LEU 102 H -0.06 0.46 -0.15 -0.55 8.37 8.07 2dcuA1 LEU 102 HA -0.13 0.05 0.41 -0.75 4.35 3.92 2dcuA1 LEU 102 HB2 -0.06 0.00 0.12 -0.04 1.64 1.66 2dcuA1 LEU 102 HB3 -0.15 -0.04 -0.05 -0.04 1.64 1.36 2dcuA1 LEU 102 HG -0.06 0.16 0.07 -0.04 1.64 1.76 2dcuA1 LEU 102 HD13 -0.02 -0.04 -0.09 -0.04 0.93 0.74 2dcuA1 LEU 102 HD23 -0.20 -0.01 -0.03 -0.04 0.89 0.62 2dcuA1 ALA 103 H -0.05 0.56 -0.04 -0.55 8.40 8.33 2dcuA1 ALA 103 HA -0.04 0.10 0.40 -0.75 4.34 4.04 2dcuA1 ALA 103 HB3 -0.03 -0.05 0.00 -0.04 1.41 1.28 2dcuA1 GLY 104 H -0.03 0.57 0.09 -0.55 8.43 8.52 2dcuA1 GLY 104 HA2 -0.01 0.06 0.78 -0.51 4.01 4.33 2dcuA1 GLY 104 HA3 -0.00 -0.05 0.37 -0.51 4.01 3.83 2dcuA1 ALA 105 H -0.04 0.45 -0.49 -0.55 8.40 7.78 2dcuA1 ALA 105 HA -0.04 -0.04 0.42 -0.75 4.34 3.93 2dcuA1 ALA 105 HB3 -0.05 0.07 0.16 -0.04 1.41 1.55 2dcuA1 SER 106 H -0.01 0.00 -0.62 -0.55 8.46 7.29 2dcuA1 SER 106 HA -0.00 0.16 0.46 -0.75 4.49 4.35 2dcuA1 SER 106 HB2 0.00 0.05 0.16 -0.04 3.95 4.12 2dcuA1 SER 106 HB3 -0.00 -0.02 0.10 -0.04 3.93 3.96 2dcuA1 LEU 107 H 0.00 0.40 -0.45 -0.55 8.37 7.78 2dcuA1 LEU 107 HA 0.05 0.15 0.76 -0.75 4.35 4.55 2dcuA1 LEU 107 HB2 0.03 0.03 0.07 -0.04 1.64 1.73 2dcuA1 LEU 107 HB3 0.13 -0.12 -0.02 -0.04 1.64 1.58 2dcuA1 LEU 107 HG 0.03 0.01 -0.02 -0.04 1.64 1.62 2dcuA1 LEU 107 HD13 0.10 -0.03 -0.02 -0.04 0.93 0.94 2dcuA1 LEU 107 HD23 0.08 -0.00 -0.06 -0.04 0.89 0.86 2dcuA1 MET 108 H -0.01 0.12 0.02 -0.55 8.47 8.05 2dcuA1 MET 108 HA -0.03 0.07 0.63 -0.75 4.52 4.43 2dcuA1 MET 108 HB2 -0.03 0.08 0.06 -0.04 2.15 2.22 2dcuA1 MET 108 HB3 -0.04 0.06 0.17 -0.04 2.03 2.18 2dcuA1 MET 108 HG2 -0.07 -0.05 -0.09 -0.04 2.63 2.38 2dcuA1 MET 108 HG3 -0.04 0.04 0.01 -0.04 2.56 2.52 2dcuA1 MET 108 HE3 -0.05 0.02 -0.07 -0.04 2.10 1.96 2dcuA1 ASP 109 H -0.04 0.54 0.47 -0.55 8.40 8.83 2dcuA1 ASP 109 HA -0.01 0.20 0.86 -0.75 4.63 4.93 2dcuA1 ASP 109 HB2 -0.03 -0.12 0.10 -0.04 2.71 2.62 2dcuA1 ASP 109 HB3 -0.02 0.04 0.10 -0.04 2.70 2.78 2dcuA1 GLY 110 H -0.03 0.22 0.41 -0.55 8.43 8.49 2dcuA1 GLY 110 HA2 -0.01 0.18 0.49 -0.51 4.01 4.16 2dcuA1 GLY 110 HA3 -0.01 0.07 0.40 -0.51 4.01 3.96 2dcuA1 ALA 111 H -0.01 0.57 0.34 -0.55 8.40 8.76 2dcuA1 ALA 111 HA -0.01 0.02 0.83 -0.75 4.34 4.43 2dcuA1 ALA 111 HB3 -0.02 0.01 -0.09 -0.04 1.41 1.27 2dcuA1 ILE 112 H 0.03 0.82 0.33 -0.55 8.25 8.89 2dcuA1 ILE 112 HA 0.02 0.27 1.08 -0.75 4.18 4.80 2dcuA1 ILE 112 HB 0.09 -0.07 0.12 -0.04 1.89 2.00 2dcuA1 ILE 112 HG12 0.06 0.08 -0.16 -0.04 1.49 1.44 2dcuA1 ILE 112 HG13 0.10 -0.03 -0.29 -0.04 1.21 0.95 2dcuA1 ILE 112 HG23 0.05 -0.02 -0.27 -0.04 0.93 0.64 2dcuA1 ILE 112 HD13 0.25 -0.01 -0.18 -0.04 0.88 0.90 2dcuA1 LEU 113 H 0.02 0.56 0.20 -0.55 8.37 8.61 2dcuA1 LEU 113 HA 0.06 0.35 0.73 -0.75 4.35 4.74 2dcuA1 LEU 113 HB2 0.05 0.02 -0.03 -0.04 1.64 1.64 2dcuA1 LEU 113 HB3 0.06 -0.02 0.12 -0.04 1.64 1.75 2dcuA1 LEU 113 HG 0.14 -0.08 -0.28 -0.04 1.64 1.38 2dcuA1 LEU 113 HD13 0.15 0.05 -0.10 -0.04 0.93 0.99 2dcuA1 LEU 113 HD23 0.16 0.01 -0.10 -0.04 0.89 0.92 2dcuA1 VAL 114 H 0.07 0.62 0.39 -0.55 8.24 8.78 2dcuA1 VAL 114 HA 0.07 0.20 0.76 -0.75 4.13 4.41 2dcuA1 VAL 114 HB 0.08 -0.12 0.01 -0.04 2.12 2.05 2dcuA1 VAL 114 HG13 0.09 -0.04 -0.39 -0.04 0.97 0.58 2dcuA1 VAL 114 HG23 0.03 0.06 -0.13 -0.04 0.95 0.88 2dcuA1 ILE 115 H 0.10 0.59 0.15 -0.55 8.25 8.54 2dcuA1 ILE 115 HA 0.50 -0.01 0.99 -0.75 4.18 4.90 2dcuA1 ILE 115 HB 0.10 0.00 0.00 -0.04 1.89 1.95 2dcuA1 ILE 115 HG12 0.18 -0.05 -0.12 -0.04 1.49 1.46 2dcuA1 ILE 115 HG13 0.15 -0.06 -0.61 -0.04 1.21 0.66 2dcuA1 ILE 115 HG23 0.08 0.04 -0.12 -0.04 0.93 0.89 2dcuA1 ILE 115 HD13 0.19 0.02 -0.13 -0.04 0.88 0.93 2dcuA1 ALA 116 H -0.68 0.02 0.14 -0.55 8.40 7.33 2dcuA1 ALA 116 HA -0.16 0.05 0.47 -0.75 4.34 3.96 2dcuA1 ALA 116 HB3 -0.66 -0.02 0.07 -0.04 1.41 0.76 2dcuA1 ALA 117 H -0.09 0.57 0.27 -0.55 8.40 8.61 2dcuA1 ALA 117 HA -0.05 0.17 0.53 -0.75 4.34 4.23 2dcuA1 ALA 117 HB3 -0.02 -0.00 -0.02 -0.04 1.41 1.33 2dcuA1 ASN 118 H -0.11 0.01 -0.22 -0.55 8.53 7.66 2dcuA1 ASN 118 HA -0.05 0.20 0.67 -0.75 4.76 4.83 2dcuA1 ASN 118 HB2 -0.04 0.05 0.12 -0.04 2.88 2.97 2dcuA1 ASN 118 HB3 -0.04 -0.01 -0.03 -0.04 2.79 2.67 2dcuA1 ASN 118 HD21 -0.04 -0.03 -0.05 -0.04 7.03 6.88 2dcuA1 ASN 118 HD22 -0.03 0.04 0.05 -0.04 7.74 7.75 2dcuA1 GLU 119 H -0.12 0.40 -0.59 -0.55 8.60 7.75 2dcuA1 GLU 119 HA -0.07 0.13 0.55 -0.75 4.29 4.14 2dcuA1 GLU 119 HB2 -0.21 -0.13 -0.19 -0.04 2.09 1.52 2dcuA1 GLU 119 HB3 -0.09 0.11 -0.08 -0.04 1.99 1.89 2dcuA1 GLU 119 HG2 -0.06 0.03 0.07 -0.04 2.34 2.35 2dcuA1 GLU 119 HG3 -0.07 0.11 -0.22 -0.04 2.34 2.13 2dcuA1 PRO 120 HA -0.05 0.01 0.35 -0.51 4.44 4.23 2dcuA1 PRO 120 HB2 -0.08 0.01 -0.09 -0.04 2.28 2.09 2dcuA1 PRO 120 HB3 -0.06 0.05 0.01 -0.04 2.02 1.99 2dcuA1 PRO 120 HG2 -0.05 0.03 0.04 -0.04 2.03 2.01 2dcuA1 PRO 120 HG3 -0.04 0.05 0.04 -0.04 2.03 2.04 2dcuA1 PRO 120 HD2 -0.07 0.05 0.12 -0.04 3.68 3.74 2dcuA1 PRO 120 HD3 -0.05 0.13 0.15 -0.04 3.65 3.84 2dcuA1 CYS 121 H -0.06 0.07 0.12 -0.55 8.50 8.08 2dcuA1 CYS 121 HA -0.06 0.09 0.29 -0.75 4.58 4.15 2dcuA1 CYS 121 HB2 -0.03 0.02 0.10 -0.04 2.97 3.01 2dcuA1 CYS 121 HB3 -0.09 0.02 0.08 -0.04 2.97 2.94 2dcuA1 PRO 122 HA -0.64 0.03 0.55 -0.51 4.44 3.87 2dcuA1 PRO 122 HB2 -0.29 -0.00 0.08 -0.04 2.28 2.03 2dcuA1 PRO 122 HB3 -0.95 0.06 -0.02 -0.04 2.02 1.07 2dcuA1 PRO 122 HG2 -0.17 0.08 0.01 -0.04 2.03 1.90 2dcuA1 PRO 122 HG3 -0.58 0.09 -0.04 -0.04 2.03 1.46 2dcuA1 PRO 122 HD2 -0.16 0.07 -0.01 -0.04 3.68 3.54 2dcuA1 PRO 122 HD3 -0.15 0.04 0.08 -0.04 3.65 3.59 2dcuA1 ARG 123 H -0.18 0.16 0.24 -0.55 8.46 8.13 2dcuA1 ARG 123 HA -0.14 0.27 0.68 -0.75 4.34 4.39 2dcuA1 ARG 123 HB2 -0.24 -0.20 0.20 -0.04 1.90 1.62 2dcuA1 ARG 123 HB3 -0.37 -0.09 0.10 -0.04 1.80 1.40 2dcuA1 ARG 123 HG2 -0.03 0.27 -0.01 -0.04 1.67 1.86 2dcuA1 ARG 123 HG3 -0.27 -0.13 0.02 -0.04 1.67 1.25 2dcuA1 ARG 123 HD2 -0.12 0.10 -0.36 -0.04 3.22 2.79 2dcuA1 ARG 123 HD3 -0.10 0.03 -0.09 -0.04 3.22 3.02 2dcuA1 PRO 124 HA -0.06 0.14 0.31 -0.51 4.44 4.31 2dcuA1 PRO 124 HB2 -0.04 -0.11 0.09 -0.04 2.28 2.18 2dcuA1 PRO 124 HB3 -0.05 0.10 -0.06 -0.04 2.02 1.96 2dcuA1 PRO 124 HG2 -0.04 0.05 0.10 -0.04 2.03 2.10 2dcuA1 PRO 124 HG3 -0.05 0.15 0.09 -0.04 2.03 2.18 2dcuA1 PRO 124 HD2 -0.10 0.02 0.20 -0.04 3.68 3.76 2dcuA1 PRO 124 HD3 -0.09 0.27 0.24 -0.04 3.65 4.03 2dcuA1 GLN 125 H 0.02 0.04 -0.25 -0.55 8.47 7.72 2dcuA1 GLN 125 HA -0.44 0.14 0.61 -0.75 4.36 3.92 2dcuA1 GLN 125 HB2 -0.13 -0.14 0.16 -0.04 2.15 2.00 2dcuA1 GLN 125 HB3 -0.49 0.09 0.03 -0.04 2.02 1.61 2dcuA1 GLN 125 HG2 -1.35 0.09 0.05 -0.04 2.40 1.15 2dcuA1 GLN 125 HG3 -0.36 -0.00 0.04 -0.04 2.39 2.03 2dcuA1 GLN 125 HE21 -0.20 0.01 0.08 -0.04 6.97 6.82 2dcuA1 GLN 125 HE22 -0.22 0.06 0.04 -0.04 7.69 7.53 2dcuA1 THR 126 H -0.04 0.09 -0.02 -0.55 8.28 7.77 2dcuA1 THR 126 HA 0.02 -0.03 0.28 -0.75 4.39 3.90 2dcuA1 THR 126 HB -0.13 0.02 0.21 -0.04 4.32 4.38 2dcuA1 THR 126 HG23 0.13 0.05 -0.08 -0.04 1.22 1.28 2dcuA1 ARG 127 H -0.05 0.39 -0.49 -0.55 8.46 7.76 2dcuA1 ARG 127 HA 0.39 0.11 0.38 -0.75 4.34 4.46 2dcuA1 ARG 127 HB2 0.02 0.06 0.01 -0.04 1.90 1.95 2dcuA1 ARG 127 HB3 0.13 0.06 -0.04 -0.04 1.80 1.91 2dcuA1 ARG 127 HG2 -0.15 -0.01 -0.17 -0.04 1.67 1.31 2dcuA1 ARG 127 HG3 -0.10 0.08 -0.40 -0.04 1.67 1.20 2dcuA1 ARG 127 HD2 -0.07 0.02 -0.23 -0.04 3.22 2.90 2dcuA1 ARG 127 HD3 -0.00 -0.01 -0.10 -0.04 3.22 3.06 2dcuA1 GLU 128 H -0.03 0.26 -0.09 -0.55 8.60 8.20 2dcuA1 GLU 128 HA 0.06 0.10 0.37 -0.75 4.29 4.07 2dcuA1 GLU 128 HB2 0.11 0.07 0.15 -0.04 2.09 2.37 2dcuA1 GLU 128 HB3 0.12 0.02 0.07 -0.04 1.99 2.16 2dcuA1 GLU 128 HG2 0.03 0.01 0.15 -0.04 2.34 2.49 2dcuA1 GLU 128 HG3 -0.05 0.05 0.22 -0.04 2.34 2.52 2dcuA1 HIS 129 H -0.07 0.33 -0.30 -0.55 8.41 7.82 2dcuA1 HIS 129 HA 0.04 0.10 0.53 -0.75 4.63 4.54 2dcuA1 HIS 129 HB2 0.09 0.08 0.05 -0.04 3.26 3.44 2dcuA1 HIS 129 HB3 0.04 0.01 -0.07 -0.04 3.20 3.14 2dcuA1 HIS 129 HD2 0.03 0.04 -0.10 -0.04 6.97 6.89 2dcuA1 HIS 129 HE1 0.10 0.09 0.08 -0.04 7.75 7.98 2dcuA1 LEU 130 H 0.19 0.43 -0.07 -0.55 8.37 8.38 2dcuA1 LEU 130 HA 0.04 0.01 0.31 -0.75 4.35 3.95 2dcuA1 LEU 130 HB2 0.20 0.08 0.14 -0.04 1.64 2.02 2dcuA1 LEU 130 HB3 0.02 0.13 -0.02 -0.04 1.64 1.73 2dcuA1 LEU 130 HG -0.17 -0.03 -0.04 -0.04 1.64 1.36 2dcuA1 LEU 130 HD13 -0.85 0.02 -0.09 -0.04 0.93 -0.04 2dcuA1 LEU 130 HD23 -0.10 -0.04 0.04 -0.04 0.89 0.75 2dcuA1 MET 131 H 0.09 0.27 -0.68 -0.55 8.47 7.59 2dcuA1 MET 131 HA 0.02 0.06 0.42 -0.75 4.52 4.26 2dcuA1 MET 131 HB2 0.06 0.06 0.01 -0.04 2.15 2.25 2dcuA1 MET 131 HB3 0.06 0.18 0.16 -0.04 2.03 2.38 2dcuA1 MET 131 HG2 0.03 0.00 -0.19 -0.04 2.63 2.44 2dcuA1 MET 131 HG3 0.03 0.00 0.02 -0.04 2.56 2.57 2dcuA1 MET 131 HE3 0.05 0.05 -0.06 -0.04 2.10 2.09 2dcuA1 ALA 132 H 0.06 0.32 -0.10 -0.55 8.40 8.14 2dcuA1 ALA 132 HA -0.04 0.05 0.49 -0.75 4.34 4.08 2dcuA1 ALA 132 HB3 0.02 -0.01 0.11 -0.04 1.41 1.50 2dcuA1 LEU 133 H 0.02 0.95 0.04 -0.55 8.37 8.84 2dcuA1 LEU 133 HA -0.03 0.03 0.31 -0.75 4.35 3.90 2dcuA1 LEU 133 HB2 0.00 0.00 0.04 -0.04 1.64 1.64 2dcuA1 LEU 133 HB3 -0.02 0.13 -0.08 -0.04 1.64 1.63 2dcuA1 LEU 133 HG 0.01 -0.04 -0.13 -0.04 1.64 1.44 2dcuA1 LEU 133 HD13 0.01 -0.02 -0.20 -0.04 0.93 0.68 2dcuA1 LEU 133 HD23 -0.03 0.01 -0.12 -0.04 0.89 0.71 2dcuA1 GLN 134 H -0.02 0.40 -0.50 -0.55 8.47 7.80 2dcuA1 GLN 134 HA -0.04 -0.04 0.39 -0.75 4.36 3.92 2dcuA1 GLN 134 HB2 -0.04 0.01 0.17 -0.04 2.15 2.25 2dcuA1 GLN 134 HB3 -0.03 0.16 0.16 -0.04 2.02 2.27 2dcuA1 GLN 134 HG2 -0.03 -0.00 0.01 -0.04 2.40 2.34 2dcuA1 GLN 134 HG3 -0.03 0.03 -0.19 -0.04 2.39 2.15 2dcuA1 GLN 134 HE21 -0.03 -0.03 -0.02 -0.04 6.97 6.85 2dcuA1 GLN 134 HE22 -0.03 0.04 0.03 -0.04 7.69 7.69 2dcuA1 ILE 135 H -0.06 0.35 -0.26 -0.55 8.25 7.73 2dcuA1 ILE 135 HA -0.08 0.04 0.50 -0.75 4.18 3.89 2dcuA1 ILE 135 HB -0.16 0.07 0.15 -0.04 1.89 1.91 2dcuA1 ILE 135 HG12 -0.05 -0.06 0.03 -0.04 1.49 1.37 2dcuA1 ILE 135 HG13 -0.05 0.28 0.13 -0.04 1.21 1.54 2dcuA1 ILE 135 HG23 -0.45 -0.02 -0.06 -0.04 0.93 0.36 2dcuA1 ILE 135 HD13 -0.04 -0.05 -0.04 -0.04 0.88 0.71 2dcuA1 ILE 136 H -0.08 0.36 -0.26 -0.55 8.25 7.73 2dcuA1 ILE 136 HA -0.09 0.20 0.85 -0.75 4.18 4.38 2dcuA1 ILE 136 HB -0.06 0.00 0.18 -0.04 1.89 1.97 2dcuA1 ILE 136 HG12 -0.06 0.14 0.02 -0.04 1.49 1.56 2dcuA1 ILE 136 HG13 -0.05 -0.07 -0.22 -0.04 1.21 0.83 2dcuA1 ILE 136 HG23 -0.11 0.07 -0.05 -0.04 0.93 0.80 2dcuA1 ILE 136 HD13 -0.05 -0.01 -0.05 -0.04 0.88 0.73 2dcuA1 GLY 137 H -0.05 0.26 -0.52 -0.55 8.43 7.57 2dcuA1 GLY 137 HA2 -0.03 0.00 0.23 -0.51 4.01 3.71 2dcuA1 GLY 137 HA3 -0.03 0.02 0.31 -0.51 4.01 3.80 2dcuA1 GLN 138 H -0.03 0.43 -0.23 -0.55 8.47 8.10 2dcuA1 GLN 138 HA -0.02 0.14 0.68 -0.75 4.36 4.41 2dcuA1 GLN 138 HB2 -0.03 0.11 -0.08 -0.04 2.15 2.11 2dcuA1 GLN 138 HB3 -0.03 -0.09 0.06 -0.04 2.02 1.93 2dcuA1 GLN 138 HG2 -0.02 -0.07 -0.25 -0.04 2.40 2.02 2dcuA1 GLN 138 HG3 -0.02 -0.05 -0.39 -0.04 2.39 1.89 2dcuA1 GLN 138 HE21 -0.02 0.10 -0.51 -0.04 6.97 6.51 2dcuA1 GLN 138 HE22 -0.02 -0.08 -0.44 -0.04 7.69 7.11 2dcuA1 LYS 139 H -0.01 0.25 0.11 -0.55 8.42 8.21 2dcuA1 LYS 139 HA -0.01 0.15 0.66 -0.75 4.32 4.36 2dcuA1 LYS 139 HB2 0.00 0.00 0.06 -0.04 1.87 1.90 2dcuA1 LYS 139 HB3 -0.00 0.01 0.12 -0.04 1.79 1.88 2dcuA1 LYS 139 HG2 -0.02 -0.05 -0.23 -0.04 1.46 1.12 2dcuA1 LYS 139 HG3 -0.01 0.22 -0.07 -0.04 1.46 1.55 2dcuA1 LYS 139 HD2 -0.01 0.00 0.02 -0.04 1.69 1.66 2dcuA1 LYS 139 HD3 -0.01 -0.04 0.01 -0.04 1.68 1.60 2dcuA1 LYS 139 HE2 -0.01 -0.05 -0.00 -0.04 2.99 2.89 2dcuA1 LYS 139 HE3 -0.02 -0.03 -0.04 -0.04 2.99 2.86 2dcuA1 ASN 140 H 0.00 0.11 0.02 -0.55 8.53 8.12 2dcuA1 ASN 140 HA 0.05 0.07 0.50 -0.75 4.76 4.62 2dcuA1 ASN 140 HB2 0.01 0.12 0.36 -0.04 2.88 3.32 2dcuA1 ASN 140 HB3 0.04 -0.07 0.19 -0.04 2.79 2.92 2dcuA1 ASN 140 HD21 0.00 -0.03 0.12 -0.04 7.03 7.08 2dcuA1 ASN 140 HD22 0.00 0.38 0.23 -0.04 7.74 8.32 2dcuA1 ILE 141 H 0.01 0.41 0.33 -0.55 8.25 8.45 2dcuA1 ILE 141 HA -0.01 0.24 1.10 -0.75 4.18 4.75 2dcuA1 ILE 141 HB -0.03 0.01 -0.01 -0.04 1.89 1.82 2dcuA1 ILE 141 HG12 -0.01 -0.04 -0.35 -0.04 1.49 1.05 2dcuA1 ILE 141 HG13 -0.01 -0.02 -0.95 -0.04 1.21 0.18 2dcuA1 ILE 141 HG23 -0.02 -0.03 -0.23 -0.04 0.93 0.62 2dcuA1 ILE 141 HD13 -0.02 0.02 -0.26 -0.04 0.88 0.58 2dcuA1 ILE 142 H -0.03 0.50 0.36 -0.55 8.25 8.53 2dcuA1 ILE 142 HA -0.20 0.22 0.95 -0.75 4.18 4.39 2dcuA1 ILE 142 HB -0.03 -0.08 0.04 -0.04 1.89 1.77 2dcuA1 ILE 142 HG12 -0.33 0.07 -0.17 -0.04 1.49 1.01 2dcuA1 ILE 142 HG13 -0.05 -0.02 -0.37 -0.04 1.21 0.74 2dcuA1 ILE 142 HG23 -0.13 -0.01 -0.20 -0.04 0.93 0.56 2dcuA1 ILE 142 HD13 0.03 0.03 -0.34 -0.04 0.88 0.57 2dcuA1 ILE 143 H -0.08 0.60 0.17 -0.55 8.25 8.38 2dcuA1 ILE 143 HA 0.02 0.16 0.95 -0.75 4.18 4.55 2dcuA1 ILE 143 HB 0.00 0.29 0.16 -0.04 1.89 2.30 2dcuA1 ILE 143 HG12 0.04 -0.06 -0.06 -0.04 1.49 1.37 2dcuA1 ILE 143 HG13 -0.01 -0.01 -0.20 -0.04 1.21 0.95 2dcuA1 ILE 143 HG23 0.06 -0.05 -0.21 -0.04 0.93 0.69 2dcuA1 ILE 143 HD13 0.02 0.02 -0.11 -0.04 0.88 0.77 2dcuA1 ALA 144 H 0.04 0.86 0.20 -0.55 8.40 8.95 2dcuA1 ALA 144 HA 0.02 0.28 0.98 -0.75 4.34 4.86 2dcuA1 ALA 144 HB3 0.03 -0.04 -0.12 -0.04 1.41 1.24 2dcuA1 GLN 145 H 0.03 0.32 -0.08 -0.55 8.47 8.20 2dcuA1 GLN 145 HA 0.03 0.34 0.64 -0.75 4.36 4.62 2dcuA1 GLN 145 HB2 0.06 0.03 -0.03 -0.04 2.15 2.17 2dcuA1 GLN 145 HB3 0.03 -0.04 -0.03 -0.04 2.02 1.94 2dcuA1 GLN 145 HG2 0.01 -0.10 -0.16 -0.04 2.40 2.11 2dcuA1 GLN 145 HG3 0.01 0.10 -0.05 -0.04 2.39 2.42 2dcuA1 GLN 145 HE21 0.05 0.02 -0.02 -0.04 6.97 6.98 2dcuA1 GLN 145 HE22 0.03 -0.02 -0.06 -0.04 7.69 7.60 2dcuA1 ASN 146 H 0.01 0.34 0.17 -0.55 8.53 8.49 2dcuA1 ASN 146 HA 0.01 0.25 0.88 -0.75 4.76 5.14 2dcuA1 ASN 146 HB2 0.02 0.12 -0.09 -0.04 2.88 2.89 2dcuA1 ASN 146 HB3 0.01 0.10 -0.01 -0.04 2.79 2.84 2dcuA1 ASN 146 HD21 -0.01 -0.15 0.09 -0.04 7.03 6.91 2dcuA1 ASN 146 HD22 0.01 0.24 0.06 -0.04 7.74 8.01 2dcuA1 LYS 147 H -0.00 0.01 0.31 -0.55 8.42 8.19 2dcuA1 LYS 147 HA -0.00 -0.06 0.44 -0.75 4.32 3.95 2dcuA1 LYS 147 HB2 -0.04 0.08 0.23 -0.04 1.87 2.09 2dcuA1 LYS 147 HB3 -0.02 0.03 0.23 -0.04 1.79 1.98 2dcuA1 LYS 147 HG2 -0.02 -0.04 0.05 -0.04 1.46 1.41 2dcuA1 LYS 147 HG3 -0.02 0.03 -0.21 -0.04 1.46 1.21 2dcuA1 LYS 147 HD2 -0.06 -0.07 -0.01 -0.04 1.69 1.52 2dcuA1 LYS 147 HD3 -0.02 0.03 0.01 -0.04 1.68 1.66 2dcuA1 LYS 147 HE2 0.00 -0.02 -0.06 -0.04 2.99 2.87 2dcuA1 LYS 147 HE3 0.01 0.04 -0.01 -0.04 2.99 2.99 2dcuA1 ILE 148 H 0.01 0.45 0.01 -0.55 8.25 8.17 2dcuA1 ILE 148 HA -0.00 0.13 0.32 -0.75 4.18 3.87 2dcuA1 ILE 148 HB 0.01 0.12 0.01 -0.04 1.89 1.99 2dcuA1 ILE 148 HG12 -0.00 0.03 -0.04 -0.04 1.49 1.43 2dcuA1 ILE 148 HG13 -0.00 0.02 0.05 -0.04 1.21 1.24 2dcuA1 ILE 148 HG23 0.02 -0.03 -0.30 -0.04 0.93 0.58 2dcuA1 ILE 148 HD13 -0.00 0.01 0.00 -0.04 0.88 0.85 2dcuA1 GLU 149 H 0.04 -0.05 -0.33 -0.55 8.60 7.72 2dcuA1 GLU 149 HA 0.02 0.14 0.34 -0.75 4.29 4.04 2dcuA1 GLU 149 HB2 0.07 0.08 0.10 -0.04 2.09 2.29 2dcuA1 GLU 149 HB3 0.12 -0.06 0.05 -0.04 1.99 2.06 2dcuA1 GLU 149 HG2 0.10 0.11 -0.24 -0.04 2.34 2.27 2dcuA1 GLU 149 HG3 0.27 -0.01 -0.02 -0.04 2.34 2.54 2dcuA1 LEU 150 H 0.01 0.39 -0.67 -0.55 8.37 7.55 2dcuA1 LEU 150 HA 0.01 0.21 0.90 -0.75 4.35 4.71 2dcuA1 LEU 150 HB2 -0.01 0.10 0.09 -0.04 1.64 1.79 2dcuA1 LEU 150 HB3 -0.01 0.00 0.04 -0.04 1.64 1.63 2dcuA1 LEU 150 HG 0.00 0.03 0.05 -0.04 1.64 1.68 2dcuA1 LEU 150 HD13 0.03 0.02 -0.22 -0.04 0.93 0.72 2dcuA1 LEU 150 HD23 -0.01 -0.02 0.01 -0.04 0.89 0.84 2dcuA1 VAL 151 H -0.00 0.40 -0.10 -0.55 8.24 7.99 2dcuA1 VAL 151 HA -0.01 0.15 0.99 -0.75 4.13 4.52 2dcuA1 VAL 151 HB -0.01 -0.09 -0.05 -0.04 2.12 1.94 2dcuA1 VAL 151 HG13 -0.02 0.07 -0.31 -0.04 0.97 0.67 2dcuA1 VAL 151 HG23 -0.01 0.01 -0.01 -0.04 0.95 0.90 2dcuA1 ASP 152 H -0.00 0.13 0.12 -0.55 8.40 8.10 2dcuA1 ASP 152 HA -0.00 0.14 0.40 -0.75 4.63 4.42 2dcuA1 ASP 152 HB2 -0.00 -0.00 0.15 -0.04 2.71 2.81 2dcuA1 ASP 152 HB3 -0.00 0.12 0.14 -0.04 2.70 2.91 2dcuA1 LYS 153 H -0.01 0.19 0.18 -0.55 8.42 8.22 2dcuA1 LYS 153 HA -0.01 0.11 0.33 -0.75 4.32 4.00 2dcuA1 LYS 153 HB2 -0.01 0.03 0.16 -0.04 1.87 2.02 2dcuA1 LYS 153 HB3 -0.01 0.01 0.04 -0.04 1.79 1.79 2dcuA1 LYS 153 HG2 -0.01 -0.04 0.17 -0.04 1.46 1.54 2dcuA1 LYS 153 HG3 -0.02 0.04 0.07 -0.04 1.46 1.51 2dcuA1 LYS 153 HD2 -0.01 -0.01 -0.09 -0.04 1.69 1.54 2dcuA1 LYS 153 HD3 -0.01 0.03 0.02 -0.04 1.68 1.67 2dcuA1 LYS 153 HE2 -0.01 0.02 0.02 -0.04 2.99 2.97 2dcuA1 LYS 153 HE3 -0.01 -0.02 0.00 -0.04 2.99 2.92 2dcuA1 GLU 154 H -0.00 -0.00 -0.53 -0.55 8.60 7.52 2dcuA1 GLU 154 HA 0.01 0.13 0.48 -0.75 4.29 4.15 2dcuA1 GLU 154 HB2 0.00 0.02 0.06 -0.04 2.09 2.13 2dcuA1 GLU 154 HB3 -0.00 -0.08 0.08 -0.04 1.99 1.96 2dcuA1 GLU 154 HG2 0.00 0.02 -0.30 -0.04 2.34 2.03 2dcuA1 GLU 154 HG3 0.00 0.03 -0.00 -0.04 2.34 2.33 2dcuA1 LYS 155 H -0.00 0.11 -0.03 -0.55 8.42 7.94 2dcuA1 LYS 155 HA 0.00 0.06 0.38 -0.75 4.32 4.01 2dcuA1 LYS 155 HB2 -0.00 0.01 0.08 -0.04 1.87 1.92 2dcuA1 LYS 155 HB3 -0.01 0.10 -0.02 -0.04 1.79 1.83 2dcuA1 LYS 155 HG2 -0.01 0.05 0.03 -0.04 1.46 1.48 2dcuA1 LYS 155 HG3 -0.00 -0.09 0.06 -0.04 1.46 1.39 2dcuA1 LYS 155 HD2 -0.01 -0.12 0.10 -0.04 1.69 1.62 2dcuA1 LYS 155 HD3 -0.01 0.08 0.04 -0.04 1.68 1.74 2dcuA1 LYS 155 HE2 -0.01 0.03 0.01 -0.04 2.99 2.98 2dcuA1 LYS 155 HE3 -0.01 -0.03 0.03 -0.04 2.99 2.94 2dcuA1 ALA 156 H 0.00 0.44 -0.31 -0.55 8.40 7.98 2dcuA1 ALA 156 HA 0.01 0.06 0.36 -0.75 4.34 4.02 2dcuA1 ALA 156 HB3 -0.00 0.05 0.01 -0.04 1.41 1.43 2dcuA1 LEU 157 H 0.02 0.45 -0.18 -0.55 8.37 8.11 2dcuA1 LEU 157 HA 0.11 0.02 0.47 -0.75 4.35 4.19 2dcuA1 LEU 157 HB2 0.03 0.17 0.19 -0.04 1.64 1.98 2dcuA1 LEU 157 HB3 0.07 -0.03 0.05 -0.04 1.64 1.68 2dcuA1 LEU 157 HG -0.00 -0.00 0.11 -0.04 1.64 1.71 2dcuA1 LEU 157 HD13 0.01 0.00 0.05 -0.04 0.93 0.94 2dcuA1 LEU 157 HD23 -0.01 -0.01 0.05 -0.04 0.89 0.88 2dcuA1 GLU 158 H 0.03 0.36 -0.30 -0.55 8.60 8.15 2dcuA1 GLU 158 HA 0.03 0.02 0.45 -0.75 4.29 4.03 2dcuA1 GLU 158 HB2 0.01 0.03 0.10 -0.04 2.09 2.19 2dcuA1 GLU 158 HB3 0.01 0.13 0.12 -0.04 1.99 2.21 2dcuA1 GLU 158 HG2 0.00 -0.03 -0.01 -0.04 2.34 2.26 2dcuA1 GLU 158 HG3 0.00 -0.02 -0.05 -0.04 2.34 2.23 2dcuA1 ASN 159 H 0.04 0.52 -0.16 -0.55 8.53 8.39 2dcuA1 ASN 159 HA 0.01 -0.02 0.49 -0.75 4.76 4.48 2dcuA1 ASN 159 HB2 0.00 0.10 0.14 -0.04 2.88 3.08 2dcuA1 ASN 159 HB3 0.04 0.10 0.24 -0.04 2.79 3.12 2dcuA1 ASN 159 HD21 -0.05 0.20 0.07 -0.04 7.03 7.21 2dcuA1 ASN 159 HD22 -0.04 0.13 0.04 -0.04 7.74 7.83 2dcuA1 TYR 160 H 0.16 0.75 0.08 -0.55 8.29 8.74 2dcuA1 TYR 160 HA 0.01 -0.01 0.34 -0.75 4.56 4.14 2dcuA1 TYR 160 HB2 0.00 -0.00 0.12 -0.04 3.06 3.14 2dcuA1 TYR 160 HB3 0.00 0.08 0.25 -0.04 2.98 3.28 2dcuA1 TYR 160 HD2 0.00 -0.01 0.03 -0.04 7.15 7.14 2dcuA1 TYR 160 HE2 0.00 0.00 0.01 -0.04 6.85 6.82 2dcuA1 ARG 161 H 0.09 0.64 -0.11 -0.55 8.46 8.52 2dcuA1 ARG 161 HA -0.27 -0.01 0.36 -0.75 4.34 3.66 2dcuA1 ARG 161 HB2 0.01 0.12 0.19 -0.04 1.90 2.17 2dcuA1 ARG 161 HB3 -0.03 -0.03 -0.01 -0.04 1.80 1.70 2dcuA1 ARG 161 HG2 -0.00 -0.03 0.03 -0.04 1.67 1.62 2dcuA1 ARG 161 HG3 -0.02 -0.04 0.07 -0.04 1.67 1.64 2dcuA1 ARG 161 HD2 0.09 -0.06 0.01 -0.04 3.22 3.21 2dcuA1 ARG 161 HD3 0.12 0.33 0.07 -0.04 3.22 3.70 2dcuA1 GLN 162 H -0.02 0.50 -0.21 -0.55 8.47 8.20 2dcuA1 GLN 162 HA -0.01 -0.04 0.38 -0.75 4.36 3.92 2dcuA1 GLN 162 HB2 -0.01 0.20 0.32 -0.04 2.15 2.62 2dcuA1 GLN 162 HB3 -0.02 -0.14 0.09 -0.04 2.02 1.90 2dcuA1 GLN 162 HG2 -0.02 -0.06 0.09 -0.04 2.40 2.38 2dcuA1 GLN 162 HG3 -0.01 0.37 0.19 -0.04 2.39 2.90 2dcuA1 GLN 162 HE21 -0.02 -0.06 -0.06 -0.04 6.97 6.78 2dcuA1 GLN 162 HE22 -0.01 0.09 -0.14 -0.04 7.69 7.59 2dcuA1 ILE 163 H -0.01 0.71 -0.03 -0.55 8.25 8.37 2dcuA1 ILE 163 HA 0.16 -0.08 0.35 -0.75 4.18 3.86 2dcuA1 ILE 163 HB -0.01 0.19 0.17 -0.04 1.89 2.20 2dcuA1 ILE 163 HG12 0.09 -0.08 -0.03 -0.04 1.49 1.42 2dcuA1 ILE 163 HG13 0.04 0.15 0.00 -0.04 1.21 1.36 2dcuA1 ILE 163 HG23 0.09 -0.02 -0.16 -0.04 0.93 0.80 2dcuA1 ILE 163 HD13 0.08 -0.02 -0.12 -0.04 0.88 0.78 2dcuA1 LYS 164 H -0.19 0.61 -0.05 -0.55 8.42 8.23 2dcuA1 LYS 164 HA -0.11 0.01 0.37 -0.75 4.32 3.84 2dcuA1 LYS 164 HB2 -0.36 0.11 0.20 -0.04 1.87 1.78 2dcuA1 LYS 164 HB3 -0.16 -0.04 -0.00 -0.04 1.79 1.55 2dcuA1 LYS 164 HG2 -0.37 -0.01 0.03 -0.04 1.46 1.07 2dcuA1 LYS 164 HG3 -0.36 -0.07 0.01 -0.04 1.46 1.00 2dcuA1 LYS 164 HD2 -0.09 -0.03 0.01 -0.04 1.69 1.54 2dcuA1 LYS 164 HD3 -0.09 0.04 0.09 -0.04 1.68 1.68 2dcuA1 LYS 164 HE2 -0.03 -0.06 0.00 -0.04 2.99 2.86 2dcuA1 LYS 164 HE3 -0.02 0.01 0.02 -0.04 2.99 2.95 2dcuA1 GLU 165 H -0.04 0.55 -0.10 -0.55 8.60 8.47 2dcuA1 GLU 165 HA -0.01 -0.01 0.47 -0.75 4.29 3.99 2dcuA1 GLU 165 HB2 -0.01 -0.09 0.08 -0.04 2.09 2.03 2dcuA1 GLU 165 HB3 0.00 0.10 0.16 -0.04 1.99 2.21 2dcuA1 GLU 165 HG2 0.06 0.05 -0.31 -0.04 2.34 2.10 2dcuA1 GLU 165 HG3 0.03 -0.01 -0.04 -0.04 2.34 2.27 2dcuA1 PHE 166 H 0.15 0.48 -0.16 -0.55 8.34 8.26 2dcuA1 PHE 166 HA -0.02 -0.00 0.43 -0.75 4.62 4.28 2dcuA1 PHE 166 HB2 -0.02 -0.09 0.04 -0.04 3.15 3.04 2dcuA1 PHE 166 HB3 -0.02 0.15 0.19 -0.04 3.06 3.34 2dcuA1 PHE 166 HD2 -0.00 0.03 -0.05 -0.04 7.28 7.22 2dcuA1 PHE 166 HE2 0.01 -0.03 -0.10 -0.04 7.38 7.21 2dcuA1 PHE 166 HZ 0.01 -0.01 -0.17 -0.04 7.32 7.10 2dcuA1 ILE 167 H -0.04 0.52 -0.07 -0.55 8.25 8.11 2dcuA1 ILE 167 HA -0.42 0.05 0.49 -0.75 4.18 3.55 2dcuA1 ILE 167 HB -0.13 -0.03 -0.37 -0.04 1.89 1.32 2dcuA1 ILE 167 HG12 -0.05 0.22 0.05 -0.04 1.49 1.66 2dcuA1 ILE 167 HG13 -0.07 0.06 0.01 -0.04 1.21 1.17 2dcuA1 ILE 167 HG23 -0.14 -0.03 -0.11 -0.04 0.93 0.61 2dcuA1 ILE 167 HD13 -0.04 -0.01 -0.03 -0.04 0.88 0.75 2dcuA1 LYS 168 H -0.06 0.40 -0.15 -0.55 8.42 8.05 2dcuA1 LYS 168 HA -0.05 -0.08 0.40 -0.75 4.32 3.83 2dcuA1 LYS 168 HB2 -0.04 0.11 0.17 -0.04 1.87 2.07 2dcuA1 LYS 168 HB3 -0.03 0.07 0.06 -0.04 1.79 1.85 2dcuA1 LYS 168 HG2 -0.02 -0.01 -0.08 -0.04 1.46 1.30 2dcuA1 LYS 168 HG3 -0.03 -0.05 0.09 -0.04 1.46 1.43 2dcuA1 LYS 168 HD2 -0.02 0.03 0.01 -0.04 1.69 1.67 2dcuA1 LYS 168 HD3 -0.01 -0.02 -0.01 -0.04 1.68 1.59 2dcuA1 LYS 168 HE2 -0.02 0.02 0.02 -0.04 2.99 2.96 2dcuA1 LYS 168 HE3 -0.01 -0.04 -0.00 -0.04 2.99 2.90 2dcuA1 GLY 169 H -0.04 0.04 0.22 -0.55 8.43 8.10 2dcuA1 GLY 169 HA2 -0.03 -0.05 0.36 -0.51 4.01 3.77 2dcuA1 GLY 169 HA3 -0.03 0.05 0.45 -0.51 4.01 3.97 2dcuA1 THR 170 H -0.07 0.14 0.08 -0.55 8.28 7.89 2dcuA1 THR 170 HA -0.07 0.18 0.71 -0.75 4.39 4.46 2dcuA1 THR 170 HB -0.14 -0.11 0.13 -0.04 4.32 4.16 2dcuA1 THR 170 HG23 -0.20 0.11 -0.37 -0.04 1.22 0.72 2dcuA1 VAL 171 H -0.07 0.22 0.12 -0.55 8.24 7.96 2dcuA1 VAL 171 HA -0.03 0.10 0.48 -0.75 4.13 3.92 2dcuA1 VAL 171 HB -0.03 0.20 -0.10 -0.04 2.12 2.15 2dcuA1 VAL 171 HG13 -0.03 -0.01 -0.17 -0.04 0.97 0.72 2dcuA1 VAL 171 HG23 -0.05 0.01 -0.10 -0.04 0.95 0.77 2dcuA1 ALA 172 H -0.09 0.09 -0.29 -0.55 8.40 7.56 2dcuA1 ALA 172 HA -0.04 0.27 0.72 -0.75 4.34 4.53 2dcuA1 ALA 172 HB3 -0.07 0.00 -0.01 -0.04 1.41 1.29 2dcuA1 GLU 173 H -0.05 0.33 -0.59 -0.55 8.60 7.74 2dcuA1 GLU 173 HA -0.06 0.08 0.21 -0.75 4.29 3.77 2dcuA1 GLU 173 HB2 -0.05 -0.03 0.19 -0.04 2.09 2.16 2dcuA1 GLU 173 HB3 -0.03 0.03 0.07 -0.04 1.99 2.02 2dcuA1 GLU 173 HG2 -0.02 0.04 -0.09 -0.04 2.34 2.22 2dcuA1 GLU 173 HG3 -0.04 -0.02 0.07 -0.04 2.34 2.31 2dcuA1 ASN 174 H -0.01 0.16 -0.26 -0.55 8.53 7.87 2dcuA1 ASN 174 HA 0.01 0.19 0.77 -0.75 4.76 4.97 2dcuA1 ASN 174 HB2 0.02 0.04 0.07 -0.04 2.88 2.97 2dcuA1 ASN 174 HB3 0.05 -0.00 0.19 -0.04 2.79 2.99 2dcuA1 ASN 174 HD21 0.01 -0.03 -0.01 -0.04 7.03 6.96 2dcuA1 ASN 174 HD22 0.03 0.02 0.02 -0.04 7.74 7.76 2dcuA1 ALA 175 H -0.03 0.32 -0.54 -0.55 8.40 7.60 2dcuA1 ALA 175 HA -0.11 0.23 0.87 -0.75 4.34 4.58 2dcuA1 ALA 175 HB3 -0.07 -0.03 -0.00 -0.04 1.41 1.27 2dcuA1 PRO 176 HA -0.04 0.06 0.44 -0.51 4.44 4.39 2dcuA1 PRO 176 HB2 -0.27 -0.05 0.00 -0.04 2.28 1.93 2dcuA1 PRO 176 HB3 -0.12 -0.00 0.06 -0.04 2.02 1.92 2dcuA1 PRO 176 HG2 -1.46 0.03 0.08 -0.04 2.03 0.65 2dcuA1 PRO 176 HG3 -0.26 0.07 0.06 -0.04 2.03 1.87 2dcuA1 PRO 176 HD2 -0.60 0.03 0.33 -0.04 3.68 3.40 2dcuA1 PRO 176 HD3 -0.48 0.29 0.35 -0.04 3.65 3.77 2dcuA1 ILE 177 H 0.04 0.16 0.09 -0.55 8.25 7.99 2dcuA1 ILE 177 HA 0.03 0.23 0.90 -0.75 4.18 4.59 2dcuA1 ILE 177 HB 0.28 -0.04 0.20 -0.04 1.89 2.30 2dcuA1 ILE 177 HG12 0.07 0.05 -0.16 -0.04 1.49 1.41 2dcuA1 ILE 177 HG13 0.10 0.10 -0.17 -0.04 1.21 1.21 2dcuA1 ILE 177 HG23 0.20 -0.03 -0.10 -0.04 0.93 0.95 2dcuA1 ILE 177 HD13 0.05 -0.01 -0.04 -0.04 0.88 0.84 2dcuA1 ILE 178 H -0.01 0.70 0.13 -0.55 8.25 8.52 2dcuA1 ILE 178 HA -0.01 0.20 0.80 -0.75 4.18 4.41 2dcuA1 ILE 178 HB -0.01 -0.00 0.06 -0.04 1.89 1.90 2dcuA1 ILE 178 HG12 -0.02 0.02 -0.13 -0.04 1.49 1.31 2dcuA1 ILE 178 HG13 -0.06 -0.03 -0.23 -0.04 1.21 0.85 2dcuA1 ILE 178 HG23 0.00 -0.02 -0.26 -0.04 0.93 0.61 2dcuA1 ILE 178 HD13 -0.04 -0.00 -0.16 -0.04 0.88 0.63 2dcuA1 PRO 179 HA 0.01 0.20 0.61 -0.51 4.44 4.75 2dcuA1 PRO 179 HB2 -0.02 -0.04 0.13 -0.04 2.28 2.32 2dcuA1 PRO 179 HB3 -0.01 -0.02 0.10 -0.04 2.02 2.04 2dcuA1 PRO 179 HG2 -0.07 0.00 0.12 -0.04 2.03 2.04 2dcuA1 PRO 179 HG3 -0.05 0.06 0.06 -0.04 2.03 2.07 2dcuA1 PRO 179 HD2 -0.03 0.03 0.26 -0.04 3.68 3.90 2dcuA1 PRO 179 HD3 -0.03 0.48 0.50 -0.04 3.65 4.56 2dcuA1 ILE 180 H 0.01 0.78 0.44 -0.55 8.25 8.93 2dcuA1 ILE 180 HA 0.02 0.49 0.93 -0.75 4.18 4.87 2dcuA1 ILE 180 HB 0.02 -0.12 -0.11 -0.04 1.89 1.64 2dcuA1 ILE 180 HG12 0.01 0.16 -0.30 -0.04 1.49 1.32 2dcuA1 ILE 180 HG13 0.01 -0.32 -0.50 -0.04 1.21 0.36 2dcuA1 ILE 180 HG23 0.02 0.12 -0.50 -0.04 0.93 0.52 2dcuA1 ILE 180 HD13 0.01 0.01 -0.22 -0.04 0.88 0.64 2dcuA1 SER 181 H 0.03 0.35 0.05 -0.55 8.46 8.35 2dcuA1 SER 181 HA 0.01 -0.00 0.99 -0.75 4.49 4.73 2dcuA1 SER 181 HB2 0.08 0.12 0.04 -0.04 3.95 4.14 2dcuA1 SER 181 HB3 0.08 -0.18 0.26 -0.04 3.93 4.06 2dcuA1 ALA 182 H -0.01 0.18 0.06 -0.55 8.40 8.08 2dcuA1 ALA 182 HA -0.02 0.14 0.32 -0.75 4.34 4.02 2dcuA1 ALA 182 HB3 -0.03 0.03 0.02 -0.04 1.41 1.39 2dcuA1 LEU 183 H -0.10 -0.14 -0.42 -0.55 8.37 7.17 2dcuA1 LEU 183 HA -0.13 0.20 0.48 -0.75 4.35 4.14 2dcuA1 LEU 183 HB2 -0.18 -0.04 0.05 -0.04 1.64 1.43 2dcuA1 LEU 183 HB3 -0.47 -0.12 0.07 -0.04 1.64 1.08 2dcuA1 LEU 183 HG -0.56 0.06 -0.16 -0.04 1.64 0.94 2dcuA1 LEU 183 HD13 -0.12 0.02 0.01 -0.04 0.93 0.80 2dcuA1 LEU 183 HD23 -0.19 -0.00 -0.03 -0.04 0.89 0.64 2dcuA1 HIS 184 H -0.13 -0.12 -0.00 -0.55 8.41 7.61 2dcuA1 HIS 184 HA -0.01 0.28 0.77 -0.75 4.63 4.92 2dcuA1 HIS 184 HB2 0.00 -0.13 0.04 -0.04 3.26 3.13 2dcuA1 HIS 184 HB3 0.00 0.08 0.07 -0.04 3.20 3.31 2dcuA1 HIS 184 HD2 -0.00 -0.10 0.02 -0.04 6.97 6.84 2dcuA1 HIS 184 HE1 -0.01 0.05 -0.05 -0.04 7.75 7.70 2dcuA1 GLY 185 H 0.03 0.69 0.07 -0.55 8.43 8.67 2dcuA1 GLY 185 HA2 0.03 0.02 0.21 -0.51 4.01 3.76 2dcuA1 GLY 185 HA3 0.03 0.22 0.61 -0.51 4.01 4.36 2dcuA1 ALA 186 H 0.07 0.03 0.10 -0.55 8.40 8.06 2dcuA1 ALA 186 HA 0.07 0.16 0.56 -0.75 4.34 4.37 2dcuA1 ALA 186 HB3 0.05 0.00 0.05 -0.04 1.41 1.48 2dcuA1 ASN 187 H 0.08 0.26 0.29 -0.55 8.53 8.61 2dcuA1 ASN 187 HA 0.05 0.00 0.38 -0.75 4.76 4.44 2dcuA1 ASN 187 HB2 0.03 0.54 0.51 -0.04 2.88 3.91 2dcuA1 ASN 187 HB3 0.02 -0.08 0.21 -0.04 2.79 2.91 2dcuA1 ASN 187 HD21 -0.00 -0.07 0.01 -0.04 7.03 6.92 2dcuA1 ASN 187 HD22 0.01 0.63 0.11 -0.04 7.74 8.45 2dcuA1 ILE 188 H 0.08 0.34 -0.27 -0.55 8.25 7.85 2dcuA1 ILE 188 HA 0.05 0.08 0.26 -0.75 4.18 3.81 2dcuA1 ILE 188 HB 0.09 0.07 0.06 -0.04 1.89 2.06 2dcuA1 ILE 188 HG12 0.04 -0.17 -0.28 -0.04 1.49 1.04 2dcuA1 ILE 188 HG13 0.02 0.12 -0.04 -0.04 1.21 1.27 2dcuA1 ILE 188 HG23 0.06 0.03 -0.12 -0.04 0.93 0.86 2dcuA1 ILE 188 HD13 0.01 0.01 -0.16 -0.04 0.88 0.69 2dcuA1 ASP 189 H 0.14 0.03 -0.20 -0.55 8.40 7.82 2dcuA1 ASP 189 HA 0.17 0.32 0.41 -0.75 4.63 4.78 2dcuA1 ASP 189 HB2 0.12 -0.03 0.14 -0.04 2.71 2.90 2dcuA1 ASP 189 HB3 0.25 -0.00 0.14 -0.04 2.70 3.05 2dcuA1 VAL 190 H 0.05 -0.00 -0.28 -0.55 8.24 7.46 2dcuA1 VAL 190 HA 0.01 0.07 0.37 -0.75 4.13 3.82 2dcuA1 VAL 190 HB 0.02 0.15 0.13 -0.04 2.12 2.38 2dcuA1 VAL 190 HG13 0.01 0.01 -0.13 -0.04 0.97 0.82 2dcuA1 VAL 190 HG23 0.01 -0.03 0.06 -0.04 0.95 0.95 2dcuA1 LEU 191 H 0.04 0.49 -0.21 -0.55 8.37 8.14 2dcuA1 LEU 191 HA 0.02 0.04 0.31 -0.75 4.35 3.97 2dcuA1 LEU 191 HB2 0.03 -0.01 -0.04 -0.04 1.64 1.58 2dcuA1 LEU 191 HB3 0.05 0.05 0.13 -0.04 1.64 1.83 2dcuA1 LEU 191 HG 0.07 0.06 -0.34 -0.04 1.64 1.39 2dcuA1 LEU 191 HD13 0.03 0.00 -0.17 -0.04 0.93 0.74 2dcuA1 LEU 191 HD23 0.03 -0.02 -0.16 -0.04 0.89 0.70 2dcuA1 VAL 192 H 0.08 0.66 -0.02 -0.55 8.24 8.40 2dcuA1 VAL 192 HA 0.11 0.01 0.22 -0.75 4.13 3.73 2dcuA1 VAL 192 HB 0.15 0.04 -0.07 -0.04 2.12 2.20 2dcuA1 VAL 192 HG13 0.19 0.02 -0.23 -0.04 0.97 0.92 2dcuA1 VAL 192 HG23 0.13 0.02 -0.09 -0.04 0.95 0.97 2dcuA1 LYS 193 H -0.02 0.46 -0.39 -0.55 8.42 7.92 2dcuA1 LYS 193 HA -0.55 0.02 0.36 -0.75 4.32 3.40 2dcuA1 LYS 193 HB2 -0.49 -0.09 0.11 -0.04 1.87 1.36 2dcuA1 LYS 193 HB3 -0.12 0.15 0.18 -0.04 1.79 1.95 2dcuA1 LYS 193 HG2 -0.14 -0.05 -0.02 -0.04 1.46 1.21 2dcuA1 LYS 193 HG3 -0.15 0.01 -0.43 -0.04 1.46 0.85 2dcuA1 LYS 193 HD2 -0.30 0.00 -0.04 -0.04 1.69 1.31 2dcuA1 LYS 193 HD3 -1.03 -0.01 0.02 -0.04 1.68 0.62 2dcuA1 LYS 193 HE2 -0.14 -0.03 0.00 -0.04 2.99 2.78 2dcuA1 LYS 193 HE3 -0.10 -0.02 -0.02 -0.04 2.99 2.81 2dcuA1 ALA 194 H 0.01 0.53 -0.12 -0.55 8.40 8.27 2dcuA1 ALA 194 HA 0.23 -0.07 0.43 -0.75 4.34 4.18 2dcuA1 ALA 194 HB3 0.05 0.01 0.09 -0.04 1.41 1.53 2dcuA1 ILE 195 H 0.06 0.40 -0.36 -0.55 8.25 7.80 2dcuA1 ILE 195 HA 0.08 -0.02 0.27 -0.75 4.18 3.76 2dcuA1 ILE 195 HB 0.06 0.25 0.04 -0.04 1.89 2.19 2dcuA1 ILE 195 HG12 0.09 -0.04 -0.13 -0.04 1.49 1.37 2dcuA1 ILE 195 HG13 0.10 0.02 -0.18 -0.04 1.21 1.11 2dcuA1 ILE 195 HG23 -0.01 -0.02 -0.13 -0.04 0.93 0.73 2dcuA1 ILE 195 HD13 0.24 -0.05 -0.14 -0.04 0.88 0.89 2dcuA1 GLU 196 H -0.01 0.32 -0.53 -0.55 8.60 7.84 2dcuA1 GLU 196 HA -0.02 0.11 0.55 -0.75 4.29 4.19 2dcuA1 GLU 196 HB2 -0.13 0.19 0.16 -0.04 2.09 2.26 2dcuA1 GLU 196 HB3 -0.04 -0.08 -0.06 -0.04 1.99 1.76 2dcuA1 GLU 196 HG2 0.01 0.02 -0.12 -0.04 2.34 2.21 2dcuA1 GLU 196 HG3 0.09 -0.10 -0.08 -0.04 2.34 2.21 2dcuA1 GLU 197 H -0.02 0.23 0.06 -0.55 8.60 8.32 2dcuA1 GLU 197 HA -0.21 -0.04 0.37 -0.75 4.29 3.66 2dcuA1 GLU 197 HB2 -0.08 -0.04 0.10 -0.04 2.09 2.03 2dcuA1 GLU 197 HB3 -0.25 0.02 0.15 -0.04 1.99 1.87 2dcuA1 GLU 197 HG2 -0.30 -0.08 -0.01 -0.04 2.34 1.92 2dcuA1 GLU 197 HG3 -0.75 0.02 -0.05 -0.04 2.34 1.51 2dcuA1 PHE 198 H 0.31 0.84 0.02 -0.55 8.34 8.96 2dcuA1 PHE 198 HA -0.02 0.07 0.67 -0.75 4.62 4.58 2dcuA1 PHE 198 HB2 -0.01 0.00 -0.14 -0.04 3.15 2.96 2dcuA1 PHE 198 HB3 -0.01 -0.07 0.00 -0.04 3.06 2.94 2dcuA1 PHE 198 HD2 -0.02 0.23 0.10 -0.04 7.28 7.55 2dcuA1 PHE 198 HE2 -0.02 -0.02 0.03 -0.04 7.38 7.33 2dcuA1 PHE 198 HZ -0.01 -0.06 -0.00 -0.04 7.32 7.21 2dcuA1 ILE 199 H 0.09 0.02 0.07 -0.55 8.25 7.88 2dcuA1 ILE 199 HA 0.02 0.03 0.32 -0.75 4.18 3.80 2dcuA1 ILE 199 HB 0.02 0.37 0.27 -0.04 1.89 2.51 2dcuA1 ILE 199 HG12 0.04 0.04 -0.14 -0.04 1.49 1.39 2dcuA1 ILE 199 HG13 0.11 -0.12 -0.78 -0.04 1.21 0.38 2dcuA1 ILE 199 HG23 -0.03 -0.03 -0.14 -0.04 0.93 0.69 2dcuA1 ILE 199 HD13 0.02 -0.05 -0.20 -0.04 0.88 0.60 2dcuA1 PRO 200 HA -0.02 0.14 0.57 -0.51 4.44 4.61 2dcuA1 PRO 200 HB2 -0.03 -0.00 -0.03 -0.04 2.28 2.18 2dcuA1 PRO 200 HB3 -0.04 0.21 -0.05 -0.04 2.02 2.09 2dcuA1 PRO 200 HG2 -0.02 -0.01 -0.15 -0.04 2.03 1.82 2dcuA1 PRO 200 HG3 -0.04 -0.00 -0.02 -0.04 2.03 1.92 2dcuA1 PRO 200 HD2 -0.00 -0.03 0.15 -0.04 3.68 3.75 2dcuA1 PRO 200 HD3 -0.02 0.12 -0.15 -0.04 3.65 3.55 2dcuA1 THR 201 H -0.03 0.06 0.10 -0.55 8.28 7.86 2dcuA1 THR 201 HA -0.02 0.13 0.42 -0.75 4.39 4.16 2dcuA1 THR 201 HB -0.02 -0.09 0.17 -0.04 4.32 4.33 2dcuA1 THR 201 HG23 -0.02 0.09 0.01 -0.04 1.22 1.26 2dcuA1 PRO 202 HA -0.01 0.02 0.42 -0.51 4.44 4.36 2dcuA1 PRO 202 HB2 -0.00 0.00 -0.08 -0.04 2.28 2.16 2dcuA1 PRO 202 HB3 -0.00 -0.03 0.12 -0.04 2.02 2.07 2dcuA1 PRO 202 HG2 -0.01 0.02 0.10 -0.04 2.03 2.11 2dcuA1 PRO 202 HG3 -0.01 0.10 0.13 -0.04 2.03 2.21 2dcuA1 PRO 202 HD2 -0.01 0.11 0.20 -0.04 3.68 3.94 2dcuA1 PRO 202 HD3 -0.02 0.19 0.31 -0.04 3.65 4.10 2dcuA1 LYS 203 H -0.01 0.11 0.14 -0.55 8.42 8.11 2dcuA1 LYS 203 HA -0.00 0.14 0.73 -0.75 4.32 4.44 2dcuA1 LYS 203 HB2 -0.00 -0.03 0.19 -0.04 1.87 1.99 2dcuA1 LYS 203 HB3 -0.00 -0.03 0.01 -0.04 1.79 1.73 2dcuA1 LYS 203 HG2 -0.01 0.01 0.03 -0.04 1.46 1.45 2dcuA1 LYS 203 HG3 -0.01 -0.05 0.03 -0.04 1.46 1.39 2dcuA1 LYS 203 HD2 -0.01 -0.04 0.01 -0.04 1.69 1.61 2dcuA1 LYS 203 HD3 -0.01 0.15 -0.11 -0.04 1.68 1.67 2dcuA1 LYS 203 HE2 -0.01 0.03 -0.03 -0.04 2.99 2.94 2dcuA1 LYS 203 HE3 -0.01 -0.07 -0.01 -0.04 2.99 2.86 2dcuA1 ARG 204 H 0.01 0.28 0.16 -0.55 8.46 8.34 2dcuA1 ARG 204 HA 0.01 0.16 0.92 -0.75 4.34 4.68 2dcuA1 ARG 204 HB2 0.03 -0.01 0.02 -0.04 1.90 1.90 2dcuA1 ARG 204 HB3 0.03 -0.01 -0.05 -0.04 1.80 1.73 2dcuA1 ARG 204 HG2 0.01 0.01 -0.41 -0.04 1.67 1.25 2dcuA1 ARG 204 HG3 0.01 0.16 -0.22 -0.04 1.67 1.58 2dcuA1 ARG 204 HD2 0.03 0.02 -0.06 -0.04 3.22 3.17 2dcuA1 ARG 204 HD3 0.02 -0.02 -0.09 -0.04 3.22 3.09 2dcuA1 ASP 205 H 0.02 0.21 0.09 -0.55 8.40 8.17 2dcuA1 ASP 205 HA 0.02 0.10 0.67 -0.75 4.63 4.67 2dcuA1 ASP 205 HB2 0.01 0.05 0.10 -0.04 2.71 2.83 2dcuA1 ASP 205 HB3 0.01 0.02 0.23 -0.04 2.70 2.92 2dcuA1 SER 206 H 0.04 0.31 0.18 -0.55 8.46 8.44 2dcuA1 SER 206 HA 0.05 0.11 0.27 -0.75 4.49 4.16 2dcuA1 SER 206 HB2 0.06 0.01 -0.09 -0.04 3.95 3.89 2dcuA1 SER 206 HB3 0.13 0.09 0.05 -0.04 3.93 4.16 2dcuA1 ASN 207 H 0.02 -0.04 -0.44 -0.55 8.53 7.53 2dcuA1 ASN 207 HA 0.01 0.09 0.35 -0.75 4.76 4.46 2dcuA1 ASN 207 HB2 0.01 -0.03 -0.03 -0.04 2.88 2.79 2dcuA1 ASN 207 HB3 0.01 0.01 0.03 -0.04 2.79 2.79 2dcuA1 ASN 207 HD21 0.01 -0.01 -0.04 -0.04 7.03 6.95 2dcuA1 ASN 207 HD22 0.01 0.07 -0.03 -0.04 7.74 7.76 2dcuA1 LYS 208 H 0.01 0.42 -0.25 -0.55 8.42 8.05 2dcuA1 LYS 208 HA 0.01 -0.01 0.38 -0.75 4.32 3.94 2dcuA1 LYS 208 HB2 0.01 -0.07 -0.01 -0.04 1.87 1.77 2dcuA1 LYS 208 HB3 0.01 0.07 0.04 -0.04 1.79 1.87 2dcuA1 LYS 208 HG2 0.01 -0.06 0.07 -0.04 1.46 1.44 2dcuA1 LYS 208 HG3 0.01 0.12 0.16 -0.04 1.46 1.71 2dcuA1 LYS 208 HD2 0.01 -0.08 0.08 -0.04 1.69 1.66 2dcuA1 LYS 208 HD3 0.01 0.03 0.04 -0.04 1.68 1.72 2dcuA1 LYS 208 HE2 0.01 -0.06 0.04 -0.04 2.99 2.94 2dcuA1 LYS 208 HE3 0.01 0.02 0.04 -0.04 2.99 3.01 2dcuA1 PRO 209 HA -0.00 0.08 0.53 -0.51 4.44 4.54 2dcuA1 PRO 209 HB2 0.00 0.14 0.05 -0.04 2.28 2.43 2dcuA1 PRO 209 HB3 0.00 -0.04 0.16 -0.04 2.02 2.10 2dcuA1 PRO 209 HG2 0.01 0.03 0.06 -0.04 2.03 2.09 2dcuA1 PRO 209 HG3 0.01 -0.01 0.07 -0.04 2.03 2.06 2dcuA1 PRO 209 HD2 0.01 0.01 0.22 -0.04 3.68 3.88 2dcuA1 PRO 209 HD3 0.00 0.10 0.20 -0.04 3.65 3.91 2dcuA1 PRO 210 HA -0.01 0.32 0.50 -0.51 4.44 4.73 2dcuA1 PRO 210 HB2 -0.02 -0.16 -0.02 -0.04 2.28 2.05 2dcuA1 PRO 210 HB3 -0.03 -0.02 -0.08 -0.04 2.02 1.85 2dcuA1 PRO 210 HG2 -0.02 -0.07 0.16 -0.04 2.03 2.06 2dcuA1 PRO 210 HG3 -0.03 0.15 0.28 -0.04 2.03 2.40 2dcuA1 PRO 210 HD2 -0.01 -0.05 0.28 -0.04 3.68 3.86 2dcuA1 PRO 210 HD3 -0.01 0.16 0.33 -0.04 3.65 4.08 2dcuA1 LYS 211 H -0.01 0.35 0.20 -0.55 8.42 8.41 2dcuA1 LYS 211 HA -0.00 0.42 0.78 -0.75 4.32 4.76 2dcuA1 LYS 211 HB2 0.01 0.15 -0.09 -0.04 1.87 1.89 2dcuA1 LYS 211 HB3 0.00 -0.06 0.03 -0.04 1.79 1.73 2dcuA1 LYS 211 HG2 0.00 -0.09 -0.22 -0.04 1.46 1.11 2dcuA1 LYS 211 HG3 0.00 0.02 0.01 -0.04 1.46 1.45 2dcuA1 LYS 211 HD2 0.02 -0.05 -0.07 -0.04 1.69 1.55 2dcuA1 LYS 211 HD3 0.02 0.06 -0.07 -0.04 1.68 1.65 2dcuA1 LYS 211 HE2 0.01 0.05 -0.08 -0.04 2.99 2.93 2dcuA1 LYS 211 HE3 0.01 -0.03 -0.07 -0.04 2.99 2.86 2dcuA1 MET 212 H -0.01 0.46 0.26 -0.55 8.47 8.63 2dcuA1 MET 212 HA -0.01 0.25 0.85 -0.75 4.52 4.85 2dcuA1 MET 212 HB2 -0.03 0.03 -0.25 -0.04 2.15 1.86 2dcuA1 MET 212 HB3 -0.02 -0.06 -0.09 -0.04 2.03 1.82 2dcuA1 MET 212 HG2 -0.03 -0.00 -0.79 -0.04 2.63 1.76 2dcuA1 MET 212 HG3 -0.04 -0.02 -0.57 -0.04 2.56 1.89 2dcuA1 MET 212 HE3 -0.04 0.04 -0.26 -0.04 2.10 1.80 2dcuA1 LEU 213 H -0.02 0.44 0.07 -0.55 8.37 8.31 2dcuA1 LEU 213 HA -0.02 0.22 0.87 -0.75 4.35 4.67 2dcuA1 LEU 213 HB2 -0.01 -0.05 0.20 -0.04 1.64 1.74 2dcuA1 LEU 213 HB3 -0.01 -0.04 0.07 -0.04 1.64 1.61 2dcuA1 LEU 213 HG -0.00 0.08 -0.02 -0.04 1.64 1.66 2dcuA1 LEU 213 HD13 0.01 -0.01 -0.00 -0.04 0.93 0.88 2dcuA1 LEU 213 HD23 -0.00 0.01 -0.12 -0.04 0.89 0.74 2dcuA1 VAL 214 H -0.03 0.60 0.17 -0.55 8.24 8.42 2dcuA1 VAL 214 HA -0.04 -0.02 0.32 -0.75 4.13 3.63 2dcuA1 VAL 214 HB -0.05 0.01 0.06 -0.04 2.12 2.10 2dcuA1 VAL 214 HG13 -0.05 -0.05 -0.30 -0.04 0.97 0.53 2dcuA1 VAL 214 HG23 -0.03 0.01 -0.26 -0.04 0.95 0.64 2dcuA1 LEU 215 H -0.06 0.60 0.67 -0.55 8.37 9.04 2dcuA1 LEU 215 HA -0.04 0.10 0.75 -0.75 4.35 4.41 2dcuA1 LEU 215 HB2 -0.09 -0.01 0.15 -0.04 1.64 1.65 2dcuA1 LEU 215 HB3 -0.07 0.02 0.07 -0.04 1.64 1.62 2dcuA1 LEU 215 HG 0.00 -0.05 0.15 -0.04 1.64 1.71 2dcuA1 LEU 215 HD13 0.08 0.01 0.01 -0.04 0.93 0.99 2dcuA1 LEU 215 HD23 0.02 0.01 -0.07 -0.04 0.89 0.81 2dcuA1 ARG 216 H -0.05 0.46 0.33 -0.55 8.46 8.65 2dcuA1 ARG 216 HA -0.24 0.16 0.68 -0.75 4.34 4.18 2dcuA1 ARG 216 HB2 0.01 -0.06 -0.02 -0.04 1.90 1.79 2dcuA1 ARG 216 HB3 -0.88 0.02 0.02 -0.04 1.80 0.92 2dcuA1 ARG 216 HG2 -0.12 0.32 0.09 -0.04 1.67 1.92 2dcuA1 ARG 216 HG3 -0.00 -0.06 -0.27 -0.04 1.67 1.30 2dcuA1 ARG 216 HD2 0.10 -0.02 -0.07 -0.04 3.22 3.19 2dcuA1 ARG 216 HD3 -0.27 -0.01 0.01 -0.04 3.22 2.91 2dcuA1 SER 217 H -0.56 0.31 0.25 -0.55 8.46 7.92 2dcuA1 SER 217 HA -0.06 0.26 0.99 -0.75 4.49 4.92 2dcuA1 SER 217 HB2 -0.06 0.03 0.12 -0.04 3.95 4.00 2dcuA1 SER 217 HB3 -0.10 0.00 -0.14 -0.04 3.93 3.66 2dcuA1 PHE 218 H 0.31 0.55 0.32 -0.55 8.34 8.96 2dcuA1 PHE 218 HA -0.02 0.17 0.83 -0.75 4.62 4.84 2dcuA1 PHE 218 HB2 -0.02 -0.03 -0.13 -0.04 3.15 2.93 2dcuA1 PHE 218 HB3 -0.02 -0.01 0.04 -0.04 3.06 3.03 2dcuA1 PHE 218 HD2 -0.02 0.13 -0.10 -0.04 7.28 7.26 2dcuA1 PHE 218 HE2 -0.02 0.02 -0.21 -0.04 7.38 7.13 2dcuA1 PHE 218 HZ -0.03 0.02 -0.15 -0.04 7.32 7.13 2dcuA1 ASP 219 H 0.18 0.26 -0.03 -0.55 8.40 8.27 2dcuA1 ASP 219 HA 0.07 0.14 0.73 -0.75 4.63 4.82 2dcuA1 ASP 219 HB2 0.05 0.04 -0.03 -0.04 2.71 2.73 2dcuA1 ASP 219 HB3 0.06 0.03 0.21 -0.04 2.70 2.95 2dcuA1 VAL 220 H 0.04 0.21 -0.09 -0.55 8.24 7.85 2dcuA1 VAL 220 HA -0.03 0.06 0.32 -0.75 4.13 3.74 2dcuA1 VAL 220 HB -0.09 0.01 0.04 -0.04 2.12 2.04 2dcuA1 VAL 220 HG13 -0.01 0.01 -0.06 -0.04 0.97 0.87 2dcuA1 VAL 220 HG23 -0.02 0.00 -0.15 -0.04 0.95 0.74 2dcuA1 ASN 221 H 0.03 -0.14 -0.88 -0.55 8.53 6.99 2dcuA1 ASN 221 HA 0.01 0.03 0.38 -0.75 4.76 4.43 2dcuA1 ASN 221 HB2 0.03 -0.07 -0.03 -0.04 2.88 2.77 2dcuA1 ASN 221 HB3 0.03 -0.02 -0.09 -0.04 2.79 2.66 2dcuA1 ASN 221 HD21 0.03 0.49 0.04 -0.04 7.03 7.55 2dcuA1 ASN 221 HD22 0.04 -0.20 -0.01 -0.04 7.74 7.52 2dcuA1 LYS 222 H 0.01 0.28 0.25 -0.55 8.42 8.41 2dcuA1 LYS 222 HA 0.02 0.14 0.54 -0.75 4.32 4.26 2dcuA1 LYS 222 HB2 0.00 -0.05 -0.16 -0.04 1.87 1.63 2dcuA1 LYS 222 HB3 0.01 0.02 0.05 -0.04 1.79 1.82 2dcuA1 LYS 222 HG2 -0.01 0.19 -0.49 -0.04 1.46 1.11 2dcuA1 LYS 222 HG3 -0.01 -0.04 -0.28 -0.04 1.46 1.09 2dcuA1 LYS 222 HD2 -0.01 -0.07 -0.07 -0.04 1.69 1.49 2dcuA1 LYS 222 HD3 -0.03 -0.03 -0.07 -0.04 1.68 1.51 2dcuA1 LYS 222 HE2 -0.10 -0.08 -0.03 -0.04 2.99 2.74 2dcuA1 LYS 222 HE3 -0.09 0.02 -0.02 -0.04 2.99 2.86 2dcuA1 PRO 223 HA 0.01 -0.01 0.46 -0.51 4.44 4.39 2dcuA1 PRO 223 HB2 0.01 0.03 0.19 -0.04 2.28 2.48 2dcuA1 PRO 223 HB3 0.01 0.04 0.12 -0.04 2.02 2.15 2dcuA1 PRO 223 HG2 0.02 0.04 0.08 -0.04 2.03 2.13 2dcuA1 PRO 223 HG3 0.02 0.04 0.05 -0.04 2.03 2.10 2dcuA1 PRO 223 HD2 0.02 0.12 0.16 -0.04 3.68 3.93 2dcuA1 PRO 223 HD3 0.02 0.13 0.10 -0.04 3.65 3.87 2dcuA1 GLY 224 H 0.01 0.57 0.74 -0.55 8.43 9.21 2dcuA1 GLY 224 HA2 0.01 0.11 0.74 -0.51 4.01 4.36 2dcuA1 GLY 224 HA3 0.01 0.00 0.35 -0.51 4.01 3.86 2dcuA1 THR 225 H 0.01 -0.09 0.20 -0.55 8.28 7.85 2dcuA1 THR 225 HA 0.01 -0.01 0.28 -0.75 4.39 3.92 2dcuA1 THR 225 HB 0.00 0.32 -0.04 -0.04 4.32 4.56 2dcuA1 THR 225 HG23 0.00 -0.02 -0.05 -0.04 1.22 1.11 2dcuA1 PRO 226 HA 0.00 0.10 0.47 -0.51 4.44 4.50 2dcuA1 PRO 226 HB2 -0.00 -0.03 0.04 -0.04 2.28 2.24 2dcuA1 PRO 226 HB3 -0.00 -0.02 0.06 -0.04 2.02 2.02 2dcuA1 PRO 226 HG2 -0.00 0.01 0.01 -0.04 2.03 2.01 2dcuA1 PRO 226 HG3 0.00 0.06 0.03 -0.04 2.03 2.08 2dcuA1 PRO 226 HD2 0.00 -0.02 -0.14 -0.04 3.68 3.49 2dcuA1 PRO 226 HD3 0.00 0.66 -0.59 -0.04 3.65 3.69 2dcuA1 PRO 227 HA 0.00 0.18 0.72 -0.51 4.44 4.83 2dcuA1 PRO 227 HB2 -0.00 -0.03 0.04 -0.04 2.28 2.25 2dcuA1 PRO 227 HB3 -0.00 0.01 0.13 -0.04 2.02 2.13 2dcuA1 PRO 227 HG2 -0.00 -0.03 0.09 -0.04 2.03 2.05 2dcuA1 PRO 227 HG3 0.00 0.15 0.07 -0.04 2.03 2.21 2dcuA1 PRO 227 HD2 -0.00 -0.01 0.24 -0.04 3.68 3.87 2dcuA1 PRO 227 HD3 0.00 0.21 0.30 -0.04 3.65 4.13 2dcuA1 GLU 228 H -0.00 0.02 -0.12 -0.55 8.60 7.96 2dcuA1 GLU 228 HA -0.00 0.09 0.31 -0.75 4.29 3.94 2dcuA1 GLU 228 HB2 -0.01 -0.31 0.21 -0.04 2.09 1.95 2dcuA1 GLU 228 HB3 -0.00 0.04 0.11 -0.04 1.99 2.10 2dcuA1 GLU 228 HG2 -0.00 0.01 -0.11 -0.04 2.34 2.19 2dcuA1 GLU 228 HG3 -0.01 0.03 0.00 -0.04 2.34 2.33 2dcuA1 LYS 229 H -0.01 0.08 0.01 -0.55 8.42 7.95 2dcuA1 LYS 229 HA -0.00 0.29 0.70 -0.75 4.32 4.56 2dcuA1 LYS 229 HB2 -0.01 -0.05 0.11 -0.04 1.87 1.88 2dcuA1 LYS 229 HB3 -0.01 0.01 0.17 -0.04 1.79 1.92 2dcuA1 LYS 229 HG2 -0.00 -0.05 -0.04 -0.04 1.46 1.33 2dcuA1 LYS 229 HG3 -0.00 -0.00 0.00 -0.04 1.46 1.42 2dcuA1 LYS 229 HD2 0.00 0.09 -0.01 -0.04 1.69 1.73 2dcuA1 LYS 229 HD3 -0.00 0.04 -0.15 -0.04 1.68 1.53 2dcuA1 LYS 229 HE2 -0.00 -0.02 -0.02 -0.04 2.99 2.90 2dcuA1 LYS 229 HE3 0.00 0.03 -0.03 -0.04 2.99 2.96 2dcuA1 LEU 230 H 0.00 0.31 -0.77 -0.55 8.37 7.36 2dcuA1 LEU 230 HA -0.00 -0.06 0.40 -0.75 4.35 3.94 2dcuA1 LEU 230 HB2 0.01 0.10 0.00 -0.04 1.64 1.71 2dcuA1 LEU 230 HB3 0.01 -0.03 -0.04 -0.04 1.64 1.54 2dcuA1 LEU 230 HG 0.00 0.86 0.02 -0.04 1.64 2.48 2dcuA1 LEU 230 HD13 0.00 -0.04 -0.02 -0.04 0.93 0.83 2dcuA1 LEU 230 HD23 -0.00 -0.07 -0.34 -0.04 0.89 0.43 2dcuA1 VAL 231 H 0.01 0.02 0.13 -0.55 8.24 7.85 2dcuA1 VAL 231 HA 0.01 0.02 0.26 -0.75 4.13 3.67 2dcuA1 VAL 231 HB 0.02 0.04 -0.11 -0.04 2.12 2.02 2dcuA1 VAL 231 HG13 0.03 -0.01 0.02 -0.04 0.97 0.97 2dcuA1 VAL 231 HG23 0.01 -0.01 0.04 -0.04 0.95 0.95 2dcuA1 GLY 232 H 0.02 0.10 0.13 -0.55 8.43 8.14 2dcuA1 GLY 232 HA2 0.03 0.12 0.80 -0.51 4.01 4.46 2dcuA1 GLY 232 HA3 0.03 0.11 0.38 -0.51 4.01 4.01 2dcuA1 GLY 233 H 0.04 0.55 0.04 -0.55 8.43 8.51 2dcuA1 GLY 233 HA2 0.06 0.10 0.44 -0.51 4.01 4.09 2dcuA1 GLY 233 HA3 0.04 -0.05 0.18 -0.51 4.01 3.67 2dcuA1 VAL 234 H 0.10 0.33 0.28 -0.55 8.24 8.41 2dcuA1 VAL 234 HA 0.05 0.29 1.06 -0.75 4.13 4.78 2dcuA1 VAL 234 HB 0.08 -0.14 0.01 -0.04 2.12 2.02 2dcuA1 VAL 234 HG13 -0.01 0.06 -0.22 -0.04 0.97 0.76 2dcuA1 VAL 234 HG23 0.02 0.03 -0.17 -0.04 0.95 0.79 2dcuA1 LEU 235 H 0.05 0.46 0.25 -0.55 8.37 8.59 2dcuA1 LEU 235 HA 0.13 0.24 1.17 -0.75 4.35 5.14 2dcuA1 LEU 235 HB2 0.02 -0.05 -0.00 -0.04 1.64 1.57 2dcuA1 LEU 235 HB3 0.01 0.05 -0.05 -0.04 1.64 1.62 2dcuA1 LEU 235 HG 0.03 -0.08 -0.29 -0.04 1.64 1.26 2dcuA1 LEU 235 HD13 -0.01 0.01 -0.19 -0.04 0.93 0.70 2dcuA1 LEU 235 HD23 0.00 0.04 -0.14 -0.04 0.89 0.75 2dcuA1 ASP 236 H 0.13 0.76 0.35 -0.55 8.40 9.09 2dcuA1 ASP 236 HA 0.01 0.55 1.11 -0.75 4.63 5.55 2dcuA1 ASP 236 HB2 0.26 -0.06 0.11 -0.04 2.71 2.97 2dcuA1 ASP 236 HB3 0.04 0.01 -0.05 -0.04 2.70 2.66 2dcuA1 GLY 237 H -0.07 0.54 0.36 -0.55 8.43 8.72 2dcuA1 GLY 237 HA2 -0.12 0.08 0.75 -0.51 4.01 4.22 2dcuA1 GLY 237 HA3 -0.06 0.06 0.19 -0.51 4.01 3.69 2dcuA1 SER 238 H -0.08 0.38 0.17 -0.55 8.46 8.40 2dcuA1 SER 238 HA -0.09 0.24 0.98 -0.75 4.49 4.87 2dcuA1 SER 238 HB2 0.01 -0.04 0.16 -0.04 3.95 4.04 2dcuA1 SER 238 HB3 0.03 0.14 0.05 -0.04 3.93 4.11 2dcuA1 ILE 239 H -0.03 0.17 -0.03 -0.55 8.25 7.81 2dcuA1 ILE 239 HA -0.02 0.02 0.45 -0.75 4.18 3.88 2dcuA1 ILE 239 HB 0.01 0.02 -0.31 -0.04 1.89 1.56 2dcuA1 ILE 239 HG12 -0.04 -0.06 -0.21 -0.04 1.49 1.15 2dcuA1 ILE 239 HG13 -0.03 -0.03 -0.17 -0.04 1.21 0.93 2dcuA1 ILE 239 HG23 -0.01 -0.01 -0.27 -0.04 0.93 0.60 2dcuA1 ILE 239 HD13 -0.06 -0.02 -0.40 -0.04 0.88 0.35 2dcuA1 VAL 240 H 0.00 0.61 0.41 -0.55 8.24 8.71 2dcuA1 VAL 240 HA 0.02 0.23 0.94 -0.75 4.13 4.56 2dcuA1 VAL 240 HB 0.01 0.08 0.17 -0.04 2.12 2.34 2dcuA1 VAL 240 HG13 0.01 0.06 -0.14 -0.04 0.97 0.86 2dcuA1 VAL 240 HG23 0.01 -0.00 -0.13 -0.04 0.95 0.78 2dcuA1 GLN 241 H 0.01 0.13 0.07 -0.55 8.47 8.13 2dcuA1 GLN 241 HA 0.02 0.04 0.47 -0.75 4.36 4.12 2dcuA1 GLN 241 HB2 0.01 0.15 -0.20 -0.04 2.15 2.08 2dcuA1 GLN 241 HB3 0.01 -0.04 -0.03 -0.04 2.02 1.91 2dcuA1 GLN 241 HG2 0.01 0.16 -0.23 -0.04 2.40 2.29 2dcuA1 GLN 241 HG3 0.01 -0.07 0.05 -0.04 2.39 2.34 2dcuA1 GLN 241 HE21 0.01 -0.07 -0.05 -0.04 6.97 6.83 2dcuA1 GLN 241 HE22 0.01 0.20 -0.07 -0.04 7.69 7.79 2dcuA1 GLY 242 H 0.02 0.07 -0.00 -0.55 8.43 7.97 2dcuA1 GLY 242 HA2 0.01 0.08 0.30 -0.51 4.01 3.89 2dcuA1 GLY 242 HA3 -0.00 0.23 0.26 -0.51 4.01 3.99 2dcuA1 LYS 243 H -0.03 0.29 0.25 -0.55 8.42 8.38 2dcuA1 LYS 243 HA -0.10 0.04 0.45 -0.75 4.32 3.96 2dcuA1 LYS 243 HB2 -0.36 0.10 0.11 -0.04 1.87 1.68 2dcuA1 LYS 243 HB3 -0.13 0.13 -0.05 -0.04 1.79 1.69 2dcuA1 LYS 243 HG2 -0.04 0.13 -0.17 -0.04 1.46 1.34 2dcuA1 LYS 243 HG3 -0.09 -0.06 -0.20 -0.04 1.46 1.08 2dcuA1 LYS 243 HD2 -0.13 -0.04 -0.17 -0.04 1.69 1.31 2dcuA1 LYS 243 HD3 -0.25 0.03 -0.12 -0.04 1.68 1.30 2dcuA1 LYS 243 HE2 0.05 -0.05 -0.14 -0.04 2.99 2.81 2dcuA1 LYS 243 HE3 0.00 -0.01 -0.14 -0.04 2.99 2.79 2dcuA1 LEU 244 H -0.17 0.39 0.20 -0.55 8.37 8.24 2dcuA1 LEU 244 HA -0.07 0.17 0.80 -0.75 4.35 4.50 2dcuA1 LEU 244 HB2 -0.09 -0.05 -0.04 -0.04 1.64 1.42 2dcuA1 LEU 244 HB3 -0.05 -0.03 -0.10 -0.04 1.64 1.42 2dcuA1 LEU 244 HG -0.06 0.01 -0.26 -0.04 1.64 1.30 2dcuA1 LEU 244 HD13 -0.04 -0.02 -0.21 -0.04 0.93 0.62 2dcuA1 LEU 244 HD23 -0.03 0.05 -0.26 -0.04 0.89 0.61 2dcuA1 LYS 245 H -0.05 0.21 0.09 -0.55 8.42 8.11 2dcuA1 LYS 245 HA -0.08 0.16 0.95 -0.75 4.32 4.60 2dcuA1 LYS 245 HB2 -0.07 -0.01 -0.27 -0.04 1.87 1.48 2dcuA1 LYS 245 HB3 -0.04 -0.04 0.01 -0.04 1.79 1.68 2dcuA1 LYS 245 HG2 -0.02 0.13 -0.02 -0.04 1.46 1.50 2dcuA1 LYS 245 HG3 -0.05 0.05 0.12 -0.04 1.46 1.54 2dcuA1 LYS 245 HD2 -0.03 -0.02 -0.07 -0.04 1.69 1.53 2dcuA1 LYS 245 HD3 -0.02 -0.03 -0.06 -0.04 1.68 1.53 2dcuA1 LYS 245 HE2 -0.01 0.03 -0.03 -0.04 2.99 2.94 2dcuA1 LYS 245 HE3 -0.00 -0.02 -0.04 -0.04 2.99 2.88 2dcuA1 VAL 246 H -0.02 0.50 0.09 -0.55 8.24 8.25 2dcuA1 VAL 246 HA -0.00 -0.07 0.23 -0.75 4.13 3.53 2dcuA1 VAL 246 HB 0.00 -0.00 0.17 -0.04 2.12 2.25 2dcuA1 VAL 246 HG13 0.01 0.02 -0.12 -0.04 0.97 0.83 2dcuA1 VAL 246 HG23 0.02 -0.05 0.01 -0.04 0.95 0.89 2dcuA1 GLY 247 H -0.00 0.48 0.29 -0.55 8.43 8.66 2dcuA1 GLY 247 HA2 -0.00 0.00 0.38 -0.51 4.01 3.88 2dcuA1 GLY 247 HA3 -0.00 0.09 0.67 -0.51 4.01 4.26 2dcuA1 ASP 248 H -0.01 0.22 0.06 -0.55 8.40 8.12 2dcuA1 ASP 248 HA -0.01 0.11 0.69 -0.75 4.63 4.67 2dcuA1 ASP 248 HB2 -0.02 -0.05 0.15 -0.04 2.71 2.74 2dcuA1 ASP 248 HB3 -0.02 0.02 -0.06 -0.04 2.70 2.60 2dcuA1 GLU 249 H -0.01 0.20 0.22 -0.55 8.60 8.47 2dcuA1 GLU 249 HA -0.00 0.12 0.92 -0.75 4.29 4.58 2dcuA1 GLU 249 HB2 -0.00 -0.01 0.11 -0.04 2.09 2.16 2dcuA1 GLU 249 HB3 -0.00 -0.01 0.25 -0.04 1.99 2.19 2dcuA1 GLU 249 HG2 0.00 0.04 -0.14 -0.04 2.34 2.21 2dcuA1 GLU 249 HG3 0.00 0.00 -0.02 -0.04 2.34 2.28 2dcuA1 ILE 250 H -0.00 0.45 0.35 -0.55 8.25 8.50 2dcuA1 ILE 250 HA -0.01 0.35 1.13 -0.75 4.18 4.91 2dcuA1 ILE 250 HB -0.01 -0.03 -0.01 -0.04 1.89 1.81 2dcuA1 ILE 250 HG12 -0.00 0.05 -0.04 -0.04 1.49 1.46 2dcuA1 ILE 250 HG13 -0.00 -0.10 -0.16 -0.04 1.21 0.90 2dcuA1 ILE 250 HG23 -0.01 -0.00 -0.25 -0.04 0.93 0.62 2dcuA1 ILE 250 HD13 -0.00 -0.03 -0.21 -0.04 0.88 0.60 2dcuA1 GLU 251 H -0.00 0.74 0.24 -0.55 8.60 9.03 2dcuA1 GLU 251 HA 0.00 0.15 1.00 -0.75 4.29 4.69 2dcuA1 GLU 251 HB2 0.00 -0.11 -0.14 -0.04 2.09 1.81 2dcuA1 GLU 251 HB3 0.00 0.02 -0.19 -0.04 1.99 1.78 2dcuA1 GLU 251 HG2 0.00 0.31 -0.28 -0.04 2.34 2.33 2dcuA1 GLU 251 HG3 0.01 -0.03 -0.18 -0.04 2.34 2.10 2dcuA1 ILE 252 H 0.00 0.61 0.30 -0.55 8.25 8.61 2dcuA1 ILE 252 HA -0.01 0.06 0.56 -0.75 4.18 4.04 2dcuA1 ILE 252 HB -0.00 -0.05 -0.00 -0.04 1.89 1.79 2dcuA1 ILE 252 HG12 0.00 0.01 -0.05 -0.04 1.49 1.41 2dcuA1 ILE 252 HG13 0.00 -0.05 -0.14 -0.04 1.21 0.98 2dcuA1 ILE 252 HG23 -0.01 -0.04 -0.06 -0.04 0.93 0.78 2dcuA1 ILE 252 HD13 -0.00 -0.02 -0.17 -0.04 0.88 0.64 2dcuA1 ARG 253 H -0.01 0.05 0.22 -0.55 8.46 8.16 2dcuA1 ARG 253 HA 0.00 0.26 0.64 -0.75 4.34 4.49 2dcuA1 ARG 253 HB2 -0.00 0.22 0.21 -0.04 1.90 2.29 2dcuA1 ARG 253 HB3 -0.01 -0.16 0.35 -0.04 1.80 1.94 2dcuA1 ARG 253 HG2 0.02 0.02 -0.08 -0.04 1.67 1.59 2dcuA1 ARG 253 HG3 0.02 -0.08 -0.05 -0.04 1.67 1.52 2dcuA1 ARG 253 HD2 0.01 0.02 -0.56 -0.04 3.22 2.65 2dcuA1 ARG 253 HD3 0.01 0.04 -0.14 -0.04 3.22 3.08 2dcuA1 PRO 254 HA -0.01 0.02 0.26 -0.51 4.44 4.19 2dcuA1 PRO 254 HB2 -0.20 0.02 0.04 -0.04 2.28 2.11 2dcuA1 PRO 254 HB3 -0.29 0.07 -0.03 -0.04 2.02 1.73 2dcuA1 PRO 254 HG2 -0.12 0.15 -0.01 -0.04 2.03 2.01 2dcuA1 PRO 254 HG3 -0.06 -0.05 -0.06 -0.04 2.03 1.82 2dcuA1 PRO 254 HD2 -0.06 0.02 0.18 -0.04 3.68 3.78 2dcuA1 PRO 254 HD3 -0.03 0.02 0.25 -0.04 3.65 3.86 2dcuA1 GLY 255 H -0.04 -0.00 -0.30 -0.55 8.43 7.54 2dcuA1 GLY 255 HA2 0.01 -0.15 0.13 -0.51 4.01 3.49 2dcuA1 GLY 255 HA3 0.05 0.55 0.62 -0.51 4.01 4.72 2dcuA1 VAL 256 H 0.01 0.22 0.17 -0.55 8.24 8.10 2dcuA1 VAL 256 HA 0.06 0.16 0.66 -0.75 4.13 4.25 2dcuA1 VAL 256 HB -0.15 -0.01 0.11 -0.04 2.12 2.03 2dcuA1 VAL 256 HG13 -0.11 0.05 0.02 -0.04 0.97 0.90 2dcuA1 VAL 256 HG23 -0.02 -0.02 0.01 -0.04 0.95 0.87 2dcuA1 PRO 257 HA -0.30 0.25 0.51 -0.51 4.44 4.39 2dcuA1 PRO 257 HB2 -0.10 -0.01 -0.01 -0.04 2.28 2.11 2dcuA1 PRO 257 HB3 -0.36 -0.03 0.09 -0.04 2.02 1.68 2dcuA1 PRO 257 HG2 0.08 0.02 0.07 -0.04 2.03 2.16 2dcuA1 PRO 257 HG3 0.32 0.09 0.04 -0.04 2.03 2.43 2dcuA1 PRO 257 HD2 -0.01 0.05 0.20 -0.04 3.68 3.88 2dcuA1 PRO 257 HD3 0.14 0.23 0.31 -0.04 3.65 4.29 2dcuA1 TYR 258 H -0.03 0.17 0.28 -0.55 8.29 8.17 2dcuA1 TYR 258 HA 0.02 0.19 0.84 -0.75 4.56 4.86 2dcuA1 TYR 258 HB2 0.02 0.08 -0.03 -0.04 3.06 3.09 2dcuA1 TYR 258 HB3 0.22 -0.01 -0.01 -0.04 2.98 3.14 2dcuA1 TYR 258 HD2 0.03 -0.06 0.03 -0.04 7.15 7.11 2dcuA1 TYR 258 HE2 0.03 -0.02 -0.00 -0.04 6.85 6.81 2dcuA1 GLU 259 H 0.32 0.13 0.10 -0.55 8.60 8.60 2dcuA1 GLU 259 HA 0.03 0.08 0.59 -0.75 4.29 4.24 2dcuA1 GLU 259 HB2 0.05 -0.03 0.11 -0.04 2.09 2.18 2dcuA1 GLU 259 HB3 -0.14 0.02 0.06 -0.04 1.99 1.88 2dcuA1 GLU 259 HG2 -0.05 0.08 -0.08 -0.04 2.34 2.25 2dcuA1 GLU 259 HG3 0.00 -0.01 0.02 -0.04 2.34 2.30 2dcuA1 GLU 260 H -0.01 0.14 0.20 -0.55 8.60 8.38 2dcuA1 GLU 260 HA 0.04 -0.11 0.06 -0.75 4.29 3.53 2dcuA1 GLU 260 HB2 -0.00 0.22 0.14 -0.04 2.09 2.40 2dcuA1 GLU 260 HB3 -0.01 0.08 0.25 -0.04 1.99 2.26 2dcuA1 GLU 260 HG2 -0.02 -0.06 0.09 -0.04 2.34 2.30 2dcuA1 GLU 260 HG3 -0.06 -0.03 0.09 -0.04 2.34 2.29 2dcuA1 HIS 261 H 0.24 -0.16 -0.07 -0.55 8.41 7.88 2dcuA1 HIS 261 HA -0.02 0.08 0.67 -0.75 4.63 4.61 2dcuA1 HIS 261 HB2 -0.02 -0.17 0.08 -0.04 3.26 3.11 2dcuA1 HIS 261 HB3 -0.03 -0.02 0.05 -0.04 3.20 3.15 2dcuA1 HIS 261 HD2 -0.06 -0.04 0.00 -0.04 6.97 6.82 2dcuA1 HIS 261 HE1 -0.12 -0.15 -0.07 -0.04 7.75 7.37 2dcuA1 GLY 262 H 0.16 -0.05 -0.07 -0.55 8.43 7.92 2dcuA1 GLY 262 HA2 0.04 0.18 0.62 -0.51 4.01 4.34 2dcuA1 GLY 262 HA3 0.04 -0.02 0.30 -0.51 4.01 3.82 2dcuA1 ARG 263 H 0.02 0.11 0.05 -0.55 8.46 8.09 2dcuA1 ARG 263 HA 0.01 0.23 0.81 -0.75 4.34 4.64 2dcuA1 ARG 263 HB2 0.01 -0.06 0.20 -0.04 1.90 2.02 2dcuA1 ARG 263 HB3 0.01 0.04 0.06 -0.04 1.80 1.86 2dcuA1 ARG 263 HG2 0.01 0.00 -0.16 -0.04 1.67 1.49 2dcuA1 ARG 263 HG3 0.02 -0.07 0.01 -0.04 1.67 1.59 2dcuA1 ARG 263 HD2 0.02 -0.01 -0.01 -0.04 3.22 3.18 2dcuA1 ARG 263 HD3 0.02 0.03 0.03 -0.04 3.22 3.26 2dcuA1 ILE 264 H 0.00 0.20 0.19 -0.55 8.25 8.09 2dcuA1 ILE 264 HA -0.08 0.22 0.89 -0.75 4.18 4.46 2dcuA1 ILE 264 HB -0.12 0.06 -0.05 -0.04 1.89 1.75 2dcuA1 ILE 264 HG12 0.00 0.02 -0.04 -0.04 1.49 1.43 2dcuA1 ILE 264 HG13 0.00 -0.19 0.19 -0.04 1.21 1.17 2dcuA1 ILE 264 HG23 -0.08 0.02 0.02 -0.04 0.93 0.85 2dcuA1 ILE 264 HD13 0.05 0.03 0.05 -0.04 0.88 0.97 2dcuA1 LYS 265 H -0.17 0.25 0.11 -0.55 8.42 8.05 2dcuA1 LYS 265 HA -0.04 0.15 0.71 -0.75 4.32 4.39 2dcuA1 LYS 265 HB2 0.01 -0.16 -0.32 -0.04 1.87 1.35 2dcuA1 LYS 265 HB3 0.01 0.03 -0.12 -0.04 1.79 1.67 2dcuA1 LYS 265 HG2 0.02 0.07 0.11 -0.04 1.46 1.62 2dcuA1 LYS 265 HG3 -0.01 -0.09 -0.06 -0.04 1.46 1.26 2dcuA1 LYS 265 HD2 -0.03 -0.06 -0.13 -0.04 1.69 1.43 2dcuA1 LYS 265 HD3 0.03 0.18 -0.22 -0.04 1.68 1.63 2dcuA1 LYS 265 HE2 0.02 0.03 -0.01 -0.04 2.99 2.99 2dcuA1 LYS 265 HE3 -0.01 -0.07 -0.03 -0.04 2.99 2.83 2dcuA1 TYR 266 H 0.13 0.18 0.06 -0.55 8.29 8.11 2dcuA1 TYR 266 HA 0.01 0.19 0.52 -0.75 4.56 4.52 2dcuA1 TYR 266 HB2 0.01 -0.06 -0.04 -0.04 3.06 2.94 2dcuA1 TYR 266 HB3 -0.00 0.18 -0.58 -0.04 2.98 2.53 2dcuA1 TYR 266 HD2 -0.00 0.09 -0.19 -0.04 7.15 7.00 2dcuA1 TYR 266 HE2 -0.00 0.02 -0.00 -0.04 6.85 6.82 2dcuA1 GLU 267 H 0.08 0.51 0.10 -0.55 8.60 8.74 2dcuA1 GLU 267 HA 0.07 0.15 0.85 -0.75 4.29 4.61 2dcuA1 GLU 267 HB2 0.16 -0.07 -0.05 -0.04 2.09 2.09 2dcuA1 GLU 267 HB3 0.09 -0.04 0.04 -0.04 1.99 2.04 2dcuA1 GLU 267 HG2 0.12 -0.08 -0.03 -0.04 2.34 2.31 2dcuA1 GLU 267 HG3 0.06 0.15 0.02 -0.04 2.34 2.53 2dcuA1 PRO 268 HA 0.03 0.19 0.44 -0.51 4.44 4.58 2dcuA1 PRO 268 HB2 0.01 -0.03 -0.02 -0.04 2.28 2.21 2dcuA1 PRO 268 HB3 0.02 0.13 0.09 -0.04 2.02 2.22 2dcuA1 PRO 268 HG2 0.02 -0.07 0.12 -0.04 2.03 2.06 2dcuA1 PRO 268 HG3 0.01 -0.01 0.07 -0.04 2.03 2.06 2dcuA1 PRO 268 HD2 0.04 -0.03 0.25 -0.04 3.68 3.90 2dcuA1 PRO 268 HD3 0.04 0.19 0.17 -0.04 3.65 4.01 2dcuA1 ILE 269 H 0.01 0.17 0.17 -0.55 8.25 8.05 2dcuA1 ILE 269 HA 0.02 0.20 0.98 -0.75 4.18 4.62 2dcuA1 ILE 269 HB 0.01 0.03 0.07 -0.04 1.89 1.95 2dcuA1 ILE 269 HG12 0.00 -0.09 -0.18 -0.04 1.49 1.19 2dcuA1 ILE 269 HG13 0.01 0.11 -0.78 -0.04 1.21 0.51 2dcuA1 ILE 269 HG23 0.00 0.04 0.07 -0.04 0.93 1.00 2dcuA1 ILE 269 HD13 0.01 -0.02 -0.05 -0.04 0.88 0.78 2dcuA1 THR 270 H 0.01 0.19 0.22 -0.55 8.28 8.15 2dcuA1 THR 270 HA 0.01 0.26 1.21 -0.75 4.39 5.11 2dcuA1 THR 270 HB 0.01 0.11 0.07 -0.04 4.32 4.46 2dcuA1 THR 270 HG23 0.01 0.01 -0.13 -0.04 1.22 1.07 2dcuA1 THR 271 H 0.00 0.66 0.35 -0.55 8.28 8.75 2dcuA1 THR 271 HA 0.01 0.17 0.73 -0.75 4.39 4.55 2dcuA1 THR 271 HB 0.01 0.06 -0.23 -0.04 4.32 4.12 2dcuA1 THR 271 HG23 0.01 0.01 -0.25 -0.04 1.22 0.95 2dcuA1 GLU 272 H 0.01 0.05 0.22 -0.55 8.60 8.33 2dcuA1 GLU 272 HA 0.00 0.31 1.10 -0.75 4.29 4.94 2dcuA1 GLU 272 HB2 0.00 -0.02 -0.04 -0.04 2.09 2.00 2dcuA1 GLU 272 HB3 0.01 -0.06 0.06 -0.04 1.99 1.95 2dcuA1 GLU 272 HG2 0.00 0.06 -0.20 -0.04 2.34 2.16 2dcuA1 GLU 272 HG3 0.00 0.09 -0.20 -0.04 2.34 2.19 2dcuA1 ILE 273 H -0.00 0.76 0.28 -0.55 8.25 8.74 2dcuA1 ILE 273 HA 0.01 0.18 0.67 -0.75 4.18 4.29 2dcuA1 ILE 273 HB -0.01 -0.11 0.21 -0.04 1.89 1.95 2dcuA1 ILE 273 HG12 -0.00 -0.04 -0.09 -0.04 1.49 1.31 2dcuA1 ILE 273 HG13 -0.01 0.12 0.02 -0.04 1.21 1.30 2dcuA1 ILE 273 HG23 -0.00 -0.03 -0.21 -0.04 0.93 0.65 2dcuA1 ILE 273 HD13 -0.02 -0.00 -0.13 -0.04 0.88 0.69 2dcuA1 VAL 274 H 0.02 1.09 0.49 -0.55 8.24 9.29 2dcuA1 VAL 274 HA 0.01 0.12 0.75 -0.75 4.13 4.27 2dcuA1 VAL 274 HB 0.02 0.01 -0.14 -0.04 2.12 1.97 2dcuA1 VAL 274 HG13 0.02 -0.01 -0.20 -0.04 0.97 0.74 2dcuA1 VAL 274 HG23 0.01 0.01 -0.11 -0.04 0.95 0.82 2dcuA1 SER 275 H 0.04 0.14 0.35 -0.55 8.46 8.44 2dcuA1 SER 275 HA 0.08 0.25 0.81 -0.75 4.49 4.88 2dcuA1 SER 275 HB2 0.30 0.01 0.04 -0.04 3.95 4.26 2dcuA1 SER 275 HB3 0.11 0.08 -0.16 -0.04 3.93 3.91 2dcuA1 LEU 276 H 0.13 0.28 0.15 -0.55 8.37 8.39 2dcuA1 LEU 276 HA -0.03 0.35 0.79 -0.75 4.35 4.71 2dcuA1 LEU 276 HB2 0.00 0.14 -0.08 -0.04 1.64 1.66 2dcuA1 LEU 276 HB3 -0.03 -0.00 -0.22 -0.04 1.64 1.35 2dcuA1 LEU 276 HG -0.01 -0.04 -0.49 -0.04 1.64 1.07 2dcuA1 LEU 276 HD13 -0.05 -0.03 -0.41 -0.04 0.93 0.40 2dcuA1 LEU 276 HD23 -0.03 0.02 -0.09 -0.04 0.89 0.75 2dcuA1 GLN 277 H -0.14 0.57 0.29 -0.55 8.47 8.64 2dcuA1 GLN 277 HA -0.39 0.31 1.06 -0.75 4.36 4.60 2dcuA1 GLN 277 HB2 -0.29 -0.05 0.17 -0.04 2.15 1.94 2dcuA1 GLN 277 HB3 -0.35 -0.03 -0.04 -0.04 2.02 1.56 2dcuA1 GLN 277 HG2 -1.76 0.07 -0.20 -0.04 2.40 0.48 2dcuA1 GLN 277 HG3 -0.99 -0.07 -0.16 -0.04 2.39 1.13 2dcuA1 GLN 277 HE21 -0.06 0.01 -0.09 -0.04 6.97 6.79 2dcuA1 GLN 277 HE22 -0.09 -0.03 -0.12 -0.04 7.69 7.41 2dcuA1 ALA 278 H -0.14 0.57 0.12 -0.55 8.40 8.42 2dcuA1 ALA 278 HA -0.06 0.14 0.66 -0.75 4.34 4.33 2dcuA1 ALA 278 HB3 -0.02 0.04 -0.04 -0.04 1.41 1.35 2dcuA1 GLY 279 H -0.04 0.21 0.18 -0.55 8.43 8.24 2dcuA1 GLY 279 HA2 -0.02 0.06 0.35 -0.51 4.01 3.88 2dcuA1 GLY 279 HA3 -0.03 0.18 0.71 -0.51 4.01 4.36 2dcuA1 GLY 280 H -0.06 0.04 -0.08 -0.55 8.43 7.79 2dcuA1 GLY 280 HA2 -0.02 0.01 0.31 -0.51 4.01 3.80 2dcuA1 GLY 280 HA3 0.02 0.20 0.70 -0.51 4.01 4.42 2dcuA1 GLN 281 H -0.04 0.12 -0.57 -0.55 8.47 7.43 2dcuA1 GLN 281 HA 0.08 0.22 0.86 -0.75 4.36 4.76 2dcuA1 GLN 281 HB2 0.03 0.08 -0.10 -0.04 2.15 2.12 2dcuA1 GLN 281 HB3 0.09 -0.02 0.11 -0.04 2.02 2.17 2dcuA1 GLN 281 HG2 0.03 0.02 -0.22 -0.04 2.40 2.19 2dcuA1 GLN 281 HG3 -0.01 0.04 -0.23 -0.04 2.39 2.16 2dcuA1 GLN 281 HE21 -0.02 -0.01 -0.02 -0.04 6.97 6.89 2dcuA1 GLN 281 HE22 0.02 -0.01 -0.04 -0.04 7.69 7.62 2dcuA1 PHE 282 H 0.30 0.19 0.17 -0.55 8.34 8.45 2dcuA1 PHE 282 HA -0.01 0.24 1.05 -0.75 4.62 5.15 2dcuA1 PHE 282 HB2 -0.01 -0.03 0.14 -0.04 3.15 3.22 2dcuA1 PHE 282 HB3 -0.01 0.05 0.04 -0.04 3.06 3.10 2dcuA1 PHE 282 HD2 -0.01 -0.05 -0.05 -0.04 7.28 7.12 2dcuA1 PHE 282 HE2 -0.01 0.01 -0.08 -0.04 7.38 7.25 2dcuA1 PHE 282 HZ -0.02 0.00 -0.08 -0.04 7.32 7.18 2dcuA1 VAL 283 H 0.05 0.79 0.37 -0.55 8.24 8.90 2dcuA1 VAL 283 HA 0.06 0.21 0.94 -0.75 4.13 4.59 2dcuA1 VAL 283 HB 0.05 -0.02 0.12 -0.04 2.12 2.23 2dcuA1 VAL 283 HG13 0.03 0.01 -0.20 -0.04 0.97 0.76 2dcuA1 VAL 283 HG23 0.01 0.02 -0.39 -0.04 0.95 0.54 2dcuA1 GLU 284 H 0.04 0.21 0.17 -0.55 8.60 8.47 2dcuA1 GLU 284 HA 0.02 0.14 0.80 -0.75 4.29 4.50 2dcuA1 GLU 284 HB2 0.02 0.06 0.03 -0.04 2.09 2.16 2dcuA1 GLU 284 HB3 0.01 0.04 0.15 -0.04 1.99 2.14 2dcuA1 GLU 284 HG2 0.02 0.03 -0.07 -0.04 2.34 2.28 2dcuA1 GLU 284 HG3 0.03 -0.04 0.00 -0.04 2.34 2.29 2dcuA1 GLU 285 H 0.01 0.09 -0.09 -0.55 8.60 8.07 2dcuA1 GLU 285 HA -0.13 0.23 0.78 -0.75 4.29 4.41 2dcuA1 GLU 285 HB2 -0.04 -0.00 -0.29 -0.04 2.09 1.72 2dcuA1 GLU 285 HB3 0.01 -0.04 0.02 -0.04 1.99 1.94 2dcuA1 GLU 285 HG2 -0.62 0.02 -0.16 -0.04 2.34 1.54 2dcuA1 GLU 285 HG3 -0.26 0.17 0.02 -0.04 2.34 2.24 2dcuA1 ALA 286 H -0.23 0.47 0.18 -0.55 8.40 8.27 2dcuA1 ALA 286 HA 0.00 0.16 0.88 -0.75 4.34 4.62 2dcuA1 ALA 286 HB3 -0.06 -0.01 -0.10 -0.04 1.41 1.20 2dcuA1 TYR 287 H 0.22 0.21 0.11 -0.55 8.29 8.28 2dcuA1 TYR 287 HA -0.01 0.19 0.87 -0.75 4.56 4.86 2dcuA1 TYR 287 HB2 -0.01 0.12 -0.06 -0.04 3.06 3.06 2dcuA1 TYR 287 HB3 -0.01 0.09 0.10 -0.04 2.98 3.13 2dcuA1 TYR 287 HD2 -0.01 -0.00 -0.06 -0.04 7.15 7.04 2dcuA1 TYR 287 HE2 -0.01 0.02 -0.07 -0.04 6.85 6.75 2dcuA1 PRO 288 HA 0.04 -0.03 0.44 -0.51 4.44 4.38 2dcuA1 PRO 288 HB2 0.04 0.06 -0.08 -0.04 2.28 2.26 2dcuA1 PRO 288 HB3 0.03 0.08 -0.23 -0.04 2.02 1.87 2dcuA1 PRO 288 HG2 0.07 0.06 0.04 -0.04 2.03 2.16 2dcuA1 PRO 288 HG3 0.05 -0.01 -0.10 -0.04 2.03 1.93 2dcuA1 PRO 288 HD2 0.19 0.08 0.19 -0.04 3.68 4.10 2dcuA1 PRO 288 HD3 0.06 0.11 -0.04 -0.04 3.65 3.75 2dcuA1 GLY 289 H 0.04 0.07 0.00 -0.55 8.43 8.00 2dcuA1 GLY 289 HA2 0.04 -0.17 0.08 -0.51 4.01 3.46 2dcuA1 GLY 289 HA3 0.03 0.45 0.48 -0.51 4.01 4.45 2dcuA1 GLY 290 H 0.13 0.08 -0.01 -0.55 8.43 8.09 2dcuA1 GLY 290 HA2 0.20 -0.04 0.22 -0.51 4.01 3.88 2dcuA1 GLY 290 HA3 0.05 0.08 0.57 -0.51 4.01 4.21 2dcuA1 LEU 291 H -0.02 0.06 0.15 -0.55 8.37 8.01 2dcuA1 LEU 291 HA -0.29 0.26 0.78 -0.75 4.35 4.35 2dcuA1 LEU 291 HB2 -0.15 -0.05 0.03 -0.04 1.64 1.44 2dcuA1 LEU 291 HB3 -0.11 -0.02 -0.09 -0.04 1.64 1.38 2dcuA1 LEU 291 HG -0.23 -0.05 -0.09 -0.04 1.64 1.23 2dcuA1 LEU 291 HD13 -1.16 0.03 -0.19 -0.04 0.93 -0.43 2dcuA1 LEU 291 HD23 -0.08 0.00 -0.08 -0.04 0.89 0.69 2dcuA1 VAL 292 H -0.12 0.55 0.36 -0.55 8.24 8.48 2dcuA1 VAL 292 HA -0.07 0.33 1.14 -0.75 4.13 4.77 2dcuA1 VAL 292 HB -0.06 -0.07 0.05 -0.04 2.12 2.00 2dcuA1 VAL 292 HG13 -0.05 -0.02 -0.25 -0.04 0.97 0.61 2dcuA1 VAL 292 HG23 -0.04 0.02 -0.22 -0.04 0.95 0.67 2dcuA1 GLY 293 H -0.09 0.61 0.27 -0.55 8.43 8.67 2dcuA1 GLY 293 HA2 -0.04 0.30 0.96 -0.51 4.01 4.72 2dcuA1 GLY 293 HA3 -0.10 -0.04 0.33 -0.51 4.01 3.69 2dcuA1 ILE 294 H -0.01 0.77 0.32 -0.55 8.25 8.78 2dcuA1 ILE 294 HA -0.01 0.27 0.86 -0.75 4.18 4.55 2dcuA1 ILE 294 HB -0.01 0.02 -0.01 -0.04 1.89 1.85 2dcuA1 ILE 294 HG12 0.00 -0.02 -0.18 -0.04 1.49 1.25 2dcuA1 ILE 294 HG13 0.01 -0.18 -0.40 -0.04 1.21 0.61 2dcuA1 ILE 294 HG23 -0.01 0.04 -0.04 -0.04 0.93 0.88 2dcuA1 ILE 294 HD13 0.01 0.00 -0.29 -0.04 0.88 0.56 2dcuA1 GLY 295 H 0.02 0.73 0.42 -0.55 8.43 9.05 2dcuA1 GLY 295 HA2 0.03 0.24 0.98 -0.51 4.01 4.75 2dcuA1 GLY 295 HA3 0.04 -0.04 0.40 -0.51 4.01 3.90 2dcuA1 THR 296 H 0.03 0.81 0.28 -0.55 8.28 8.86 2dcuA1 THR 296 HA 0.01 0.37 1.14 -0.75 4.39 5.16 2dcuA1 THR 296 HB 0.01 -0.14 0.10 -0.04 4.32 4.26 2dcuA1 THR 296 HG23 0.01 0.02 -0.30 -0.04 1.22 0.91 2dcuA1 LYS 297 H 0.01 0.13 0.26 -0.55 8.42 8.27 2dcuA1 LYS 297 HA 0.01 0.18 0.70 -0.75 4.32 4.46 2dcuA1 LYS 297 HB2 0.01 -0.05 0.11 -0.04 1.87 1.90 2dcuA1 LYS 297 HB3 0.01 0.05 0.19 -0.04 1.79 1.99 2dcuA1 LYS 297 HG2 0.01 0.05 -0.03 -0.04 1.46 1.44 2dcuA1 LYS 297 HG3 0.01 0.14 0.23 -0.04 1.46 1.80 2dcuA1 LYS 297 HD2 0.01 0.04 -0.02 -0.04 1.69 1.67 2dcuA1 LYS 297 HD3 0.01 -0.04 0.05 -0.04 1.68 1.66 2dcuA1 LYS 297 HE2 0.00 0.01 0.00 -0.04 2.99 2.97 2dcuA1 LYS 297 HE3 0.01 -0.01 0.04 -0.04 2.99 2.99 2dcuA1 LEU 298 H 0.02 -0.05 -0.30 -0.55 8.37 7.50 2dcuA1 LEU 298 HA 0.02 0.17 0.52 -0.75 4.35 4.31 2dcuA1 LEU 298 HB2 0.02 -0.05 -0.03 -0.04 1.64 1.54 2dcuA1 LEU 298 HB3 0.02 0.07 -0.07 -0.04 1.64 1.63 2dcuA1 LEU 298 HG 0.01 -0.12 -0.04 -0.04 1.64 1.46 2dcuA1 LEU 298 HD13 0.01 0.02 -0.15 -0.04 0.93 0.77 2dcuA1 LEU 298 HD23 0.02 0.06 -0.03 -0.04 0.89 0.89 2dcuA1 ASP 299 H 0.03 0.17 0.16 -0.55 8.40 8.21 2dcuA1 ASP 299 HA 0.04 0.23 0.52 -0.75 4.63 4.66 2dcuA1 ASP 299 HB2 0.04 0.10 0.18 -0.04 2.71 2.98 2dcuA1 ASP 299 HB3 0.07 -0.02 0.19 -0.04 2.70 2.90 2dcuA1 PRO 300 HA 0.06 0.02 0.38 -0.51 4.44 4.38 2dcuA1 PRO 300 HB2 0.08 0.04 0.02 -0.04 2.28 2.38 2dcuA1 PRO 300 HB3 0.06 -0.03 0.08 -0.04 2.02 2.09 2dcuA1 PRO 300 HG2 0.04 0.22 0.14 -0.04 2.03 2.39 2dcuA1 PRO 300 HG3 0.04 -0.08 0.00 -0.04 2.03 1.95 2dcuA1 PRO 300 HD2 0.05 0.09 0.25 -0.04 3.68 4.04 2dcuA1 PRO 300 HD3 0.04 0.33 0.41 -0.04 3.65 4.40 2dcuA1 TYR 301 H 0.18 0.10 -0.55 -0.55 8.29 7.47 2dcuA1 TYR 301 HA 0.01 0.06 0.33 -0.75 4.56 4.21 2dcuA1 TYR 301 HB2 0.01 -0.02 0.05 -0.04 3.06 3.05 2dcuA1 TYR 301 HB3 0.00 0.03 -0.07 -0.04 2.98 2.91 2dcuA1 TYR 301 HD2 0.00 -0.01 -0.04 -0.04 7.15 7.07 2dcuA1 TYR 301 HE2 0.00 0.01 -0.01 -0.04 6.85 6.81 2dcuA1 LEU 302 H 0.08 0.71 -0.38 -0.55 8.37 8.23 2dcuA1 LEU 302 HA -0.02 0.22 0.75 -0.75 4.35 4.54 2dcuA1 LEU 302 HB2 0.03 0.06 0.04 -0.04 1.64 1.73 2dcuA1 LEU 302 HB3 0.01 -0.01 -0.01 -0.04 1.64 1.59 2dcuA1 LEU 302 HG 0.10 -0.10 -0.09 -0.04 1.64 1.51 2dcuA1 LEU 302 HD13 0.03 -0.03 0.03 -0.04 0.93 0.91 2dcuA1 LEU 302 HD23 0.02 0.03 -0.03 -0.04 0.89 0.88 2dcuA1 THR 303 H 0.01 0.19 -0.06 -0.55 8.28 7.87 2dcuA1 THR 303 HA -0.03 0.11 0.83 -0.75 4.39 4.54 2dcuA1 THR 303 HB 0.01 -0.12 0.07 -0.04 4.32 4.24 2dcuA1 THR 303 HG23 0.02 -0.02 -0.17 -0.04 1.22 1.00 2dcuA1 LYS 304 H -0.02 0.42 -0.06 -0.55 8.42 8.21 2dcuA1 LYS 304 HA 0.01 -0.12 0.21 -0.75 4.32 3.66 2dcuA1 LYS 304 HB2 -0.02 0.18 0.07 -0.04 1.87 2.06 2dcuA1 LYS 304 HB3 -0.10 0.07 -0.10 -0.04 1.79 1.62 2dcuA1 LYS 304 HG2 -0.02 -0.04 0.03 -0.04 1.46 1.40 2dcuA1 LYS 304 HG3 0.02 -0.02 0.06 -0.04 1.46 1.48 2dcuA1 LYS 304 HD2 0.01 -0.02 -0.05 -0.04 1.69 1.59 2dcuA1 LYS 304 HD3 -0.05 0.02 -0.04 -0.04 1.68 1.57 2dcuA1 LYS 304 HE2 0.04 0.04 -0.01 -0.04 2.99 3.01 2dcuA1 LYS 304 HE3 0.05 -0.02 -0.03 -0.04 2.99 2.96 2dcuA1 GLY 305 H -0.03 0.07 0.17 -0.55 8.43 8.10 2dcuA1 GLY 305 HA2 -0.05 0.00 0.35 -0.51 4.01 3.81 2dcuA1 GLY 305 HA3 -0.06 0.07 0.31 -0.51 4.01 3.81 2dcuA1 ASP 306 H -0.15 0.26 -0.23 -0.55 8.40 7.73 2dcuA1 ASP 306 HA -0.23 -0.04 0.46 -0.75 4.63 4.07 2dcuA1 ASP 306 HB2 -0.13 0.18 -0.14 -0.04 2.71 2.58 2dcuA1 ASP 306 HB3 -0.16 -0.03 0.31 -0.04 2.70 2.78 2dcuA1 LEU 307 H -0.09 0.37 -0.25 -0.55 8.37 7.85 2dcuA1 LEU 307 HA -0.06 0.15 0.53 -0.75 4.35 4.21 2dcuA1 LEU 307 HB2 -0.06 0.10 -0.00 -0.04 1.64 1.63 2dcuA1 LEU 307 HB3 -0.04 -0.02 -0.01 -0.04 1.64 1.53 2dcuA1 LEU 307 HG -0.07 0.09 -0.12 -0.04 1.64 1.50 2dcuA1 LEU 307 HD13 -0.08 -0.02 -0.04 -0.04 0.93 0.75 2dcuA1 LEU 307 HD23 -0.04 -0.01 -0.01 -0.04 0.89 0.79 2dcuA1 MET 308 H -0.08 0.03 -0.07 -0.55 8.47 7.81 2dcuA1 MET 308 HA -0.06 0.14 0.38 -0.75 4.52 4.23 2dcuA1 MET 308 HB2 -0.06 -0.07 -0.08 -0.04 2.15 1.90 2dcuA1 MET 308 HB3 -0.04 -0.06 -0.05 -0.04 2.03 1.84 2dcuA1 MET 308 HG2 -0.04 0.19 0.06 -0.04 2.63 2.80 2dcuA1 MET 308 HG3 -0.02 -0.12 -0.09 -0.04 2.56 2.29 2dcuA1 MET 308 HE3 -0.01 -0.03 -0.15 -0.04 2.10 1.87 2dcuA1 ALA 309 H -0.11 0.06 -0.64 -0.55 8.40 7.16 2dcuA1 ALA 309 HA -0.09 -0.08 0.08 -0.75 4.34 3.50 2dcuA1 ALA 309 HB3 -0.11 0.03 0.02 -0.04 1.41 1.31 2dcuA1 GLY 310 H -0.06 0.46 0.17 -0.55 8.43 8.45 2dcuA1 GLY 310 HA2 -0.06 -0.06 -0.00 -0.51 4.01 3.38 2dcuA1 GLY 310 HA3 -0.07 0.17 0.79 -0.51 4.01 4.39 2dcuA1 ASN 311 H -0.06 0.44 -0.09 -0.55 8.53 8.28 2dcuA1 ASN 311 HA -0.05 0.08 0.58 -0.75 4.76 4.62 2dcuA1 ASN 311 HB2 -0.04 -0.01 0.04 -0.04 2.88 2.83 2dcuA1 ASN 311 HB3 -0.03 -0.22 0.17 -0.04 2.79 2.67 2dcuA1 ASN 311 HD21 -0.06 0.09 -0.04 -0.04 7.03 6.99 2dcuA1 ASN 311 HD22 -0.04 -0.12 -0.04 -0.04 7.74 7.51 2dcuA1 VAL 312 H -0.02 0.12 0.34 -0.55 8.24 8.13 2dcuA1 VAL 312 HA -0.02 0.27 1.11 -0.75 4.13 4.74 2dcuA1 VAL 312 HB 0.00 -0.01 0.05 -0.04 2.12 2.12 2dcuA1 VAL 312 HG13 0.00 0.03 0.00 -0.04 0.97 0.96 2dcuA1 VAL 312 HG23 -0.00 0.01 -0.05 -0.04 0.95 0.87 2dcuA1 VAL 313 H -0.01 0.46 0.35 -0.55 8.24 8.49 2dcuA1 VAL 313 HA -0.01 0.35 1.01 -0.75 4.13 4.73 2dcuA1 VAL 313 HB -0.02 -0.06 -0.08 -0.04 2.12 1.92 2dcuA1 VAL 313 HG13 -0.01 0.01 -0.14 -0.04 0.97 0.79 2dcuA1 VAL 313 HG23 -0.01 -0.01 -0.27 -0.04 0.95 0.62 2dcuA1 GLY 314 H -0.01 0.26 0.20 -0.55 8.43 8.34 2dcuA1 GLY 314 HA2 -0.01 0.03 0.21 -0.51 4.01 3.73 2dcuA1 GLY 314 HA3 -0.00 0.30 0.41 -0.51 4.01 4.20 2dcuA1 LYS 315 H -0.01 0.32 0.20 -0.55 8.42 8.38 2dcuA1 LYS 315 HA -0.01 0.20 0.79 -0.75 4.32 4.56 2dcuA1 LYS 315 HB2 -0.00 0.01 0.20 -0.04 1.87 2.03 2dcuA1 LYS 315 HB3 -0.00 0.05 0.07 -0.04 1.79 1.86 2dcuA1 LYS 315 HG2 -0.01 0.03 0.10 -0.04 1.46 1.55 2dcuA1 LYS 315 HG3 -0.01 -0.01 0.11 -0.04 1.46 1.50 2dcuA1 LYS 315 HD2 -0.01 0.02 0.11 -0.04 1.69 1.76 2dcuA1 LYS 315 HD3 -0.01 -0.02 0.08 -0.04 1.68 1.69 2dcuA1 LYS 315 HE2 -0.01 -0.05 0.07 -0.04 2.99 2.95 2dcuA1 LYS 315 HE3 -0.02 0.07 0.08 -0.04 2.99 3.08 2dcuA1 PRO 316 HA -0.00 -0.01 0.29 -0.51 4.44 4.21 2dcuA1 PRO 316 HB2 -0.00 0.01 -0.03 -0.04 2.28 2.22 2dcuA1 PRO 316 HB3 0.00 0.01 -0.01 -0.04 2.02 1.98 2dcuA1 PRO 316 HG2 -0.00 -0.00 0.11 -0.04 2.03 2.09 2dcuA1 PRO 316 HG3 -0.00 0.00 0.03 -0.04 2.03 2.02 2dcuA1 PRO 316 HD2 -0.00 0.13 0.32 -0.04 3.68 4.09 2dcuA1 PRO 316 HD3 -0.00 0.12 0.03 -0.04 3.65 3.76 2dcuA1 GLY 317 H -0.00 0.14 0.02 -0.55 8.43 8.04 2dcuA1 GLY 317 HA2 -0.00 -0.03 0.37 -0.51 4.01 3.83 2dcuA1 GLY 317 HA3 -0.00 0.16 0.81 -0.51 4.01 4.46 2dcuA1 LYS 318 H -0.00 0.34 -0.35 -0.55 8.42 7.85 2dcuA1 LYS 318 HA 0.00 0.11 0.73 -0.75 4.32 4.41 2dcuA1 LYS 318 HB2 -0.00 -0.01 0.20 -0.04 1.87 2.01 2dcuA1 LYS 318 HB3 0.00 0.02 0.10 -0.04 1.79 1.87 2dcuA1 LYS 318 HG2 0.00 -0.00 0.01 -0.04 1.46 1.43 2dcuA1 LYS 318 HG3 -0.00 -0.06 -0.10 -0.04 1.46 1.25 2dcuA1 LYS 318 HD2 -0.00 0.01 0.04 -0.04 1.69 1.70 2dcuA1 LYS 318 HD3 0.00 0.01 0.05 -0.04 1.68 1.70 2dcuA1 LYS 318 HE2 -0.00 -0.02 0.02 -0.04 2.99 2.95 2dcuA1 LYS 318 HE3 -0.00 -0.02 0.00 -0.04 2.99 2.93 2dcuA1 LEU 319 H 0.00 0.36 0.12 -0.55 8.37 8.31 2dcuA1 LEU 319 HA 0.01 0.18 0.62 -0.75 4.35 4.41 2dcuA1 LEU 319 HB2 0.00 -0.06 -0.18 -0.04 1.64 1.36 2dcuA1 LEU 319 HB3 0.01 0.05 -0.03 -0.04 1.64 1.64 2dcuA1 LEU 319 HG 0.00 0.05 -0.20 -0.04 1.64 1.45 2dcuA1 LEU 319 HD13 0.00 -0.08 -0.74 -0.04 0.93 0.07 2dcuA1 LEU 319 HD23 0.00 0.06 -0.27 -0.04 0.89 0.64 2dcuA1 PRO 320 HA 0.06 0.13 0.48 -0.51 4.44 4.60 2dcuA1 PRO 320 HB2 0.10 -0.03 -0.37 -0.04 2.28 1.94 2dcuA1 PRO 320 HB3 0.11 -0.01 -0.29 -0.04 2.02 1.78 2dcuA1 PRO 320 HG2 0.04 0.03 -0.12 -0.04 2.03 1.94 2dcuA1 PRO 320 HG3 0.04 0.06 -0.11 -0.04 2.03 1.98 2dcuA1 PRO 320 HD2 0.03 0.05 -0.00 -0.04 3.68 3.71 2dcuA1 PRO 320 HD3 0.02 0.16 0.06 -0.04 3.65 3.86 2dcuA1 PRO 321 HA -0.09 0.06 0.66 -0.51 4.44 4.55 2dcuA1 PRO 321 HB2 -0.43 0.04 0.10 -0.04 2.28 1.95 2dcuA1 PRO 321 HB3 -0.30 -0.02 0.12 -0.04 2.02 1.77 2dcuA1 PRO 321 HG2 0.04 -0.01 0.15 -0.04 2.03 2.17 2dcuA1 PRO 321 HG3 -0.03 0.04 0.05 -0.04 2.03 2.05 2dcuA1 PRO 321 HD2 0.28 0.52 0.28 -0.04 3.68 4.72 2dcuA1 PRO 321 HD3 0.10 0.05 0.19 -0.04 3.65 3.95 2dcuA1 VAL 322 H -0.10 0.11 0.15 -0.55 8.24 7.85 2dcuA1 VAL 322 HA 0.17 0.08 0.49 -0.75 4.13 4.10 2dcuA1 VAL 322 HB 0.01 0.05 -0.02 -0.04 2.12 2.12 2dcuA1 VAL 322 HG13 -0.03 -0.01 -0.12 -0.04 0.97 0.77 2dcuA1 VAL 322 HG23 0.06 0.01 -0.15 -0.04 0.95 0.83 2dcuA1 TRP 323 H 0.34 0.28 0.21 -0.55 7.97 8.25 2dcuA1 TRP 323 HA 0.00 0.15 1.01 -0.75 4.62 5.03 2dcuA1 TRP 323 HB2 -0.01 -0.03 0.08 -0.04 3.23 3.24 2dcuA1 TRP 323 HB3 -0.00 0.12 0.16 -0.04 3.23 3.47 2dcuA1 TRP 323 HD1 -0.01 0.09 0.20 -0.04 7.22 7.46 2dcuA1 TRP 323 HE1 -0.00 0.66 0.21 -0.04 10.20 11.03 2dcuA1 TRP 323 HE3 0.00 0.08 0.14 -0.04 7.59 7.78 2dcuA1 TRP 323 HZ2 0.00 0.01 -0.03 -0.04 7.44 7.38 2dcuA1 TRP 323 HZ3 0.00 -0.11 0.13 -0.04 7.13 7.11 2dcuA1 TRP 323 HH2 0.00 -0.06 -0.11 -0.04 7.19 6.99 2dcuA1 THR 324 H 0.18 0.01 0.27 -0.55 8.28 8.19 2dcuA1 THR 324 HA 0.12 0.21 0.90 -0.75 4.39 4.87 2dcuA1 THR 324 HB 0.07 0.04 -0.03 -0.04 4.32 4.36 2dcuA1 THR 324 HG23 0.05 -0.01 -0.05 -0.04 1.22 1.17 2dcuA1 ASP 325 H 0.21 0.01 0.29 -0.55 8.40 8.37 2dcuA1 ASP 325 HA 0.09 0.15 0.98 -0.75 4.63 5.10 2dcuA1 ASP 325 HB2 0.10 -0.06 0.06 -0.04 2.71 2.77 2dcuA1 ASP 325 HB3 0.10 -0.02 0.02 -0.04 2.70 2.76 2dcuA1 LEU 326 H 0.06 0.58 0.30 -0.55 8.37 8.77 2dcuA1 LEU 326 HA 0.09 0.09 0.70 -0.75 4.35 4.47 2dcuA1 LEU 326 HB2 -0.01 -0.06 -0.54 -0.04 1.64 0.99 2dcuA1 LEU 326 HB3 -0.07 -0.07 -0.20 -0.04 1.64 1.26 2dcuA1 LEU 326 HG -0.32 0.04 -0.12 -0.04 1.64 1.20 2dcuA1 LEU 326 HD13 -0.55 0.03 0.11 -0.04 0.93 0.48 2dcuA1 LEU 326 HD23 -0.23 -0.01 -0.24 -0.04 0.89 0.37 2dcuA1 ARG 327 H 0.02 0.26 0.13 -0.55 8.46 8.33 2dcuA1 ARG 327 HA -0.00 0.24 1.06 -0.75 4.34 4.88 2dcuA1 ARG 327 HB2 0.02 -0.03 -0.01 -0.04 1.90 1.84 2dcuA1 ARG 327 HB3 0.06 -0.05 -0.09 -0.04 1.80 1.67 2dcuA1 ARG 327 HG2 0.02 -0.05 -0.31 -0.04 1.67 1.30 2dcuA1 ARG 327 HG3 -0.02 0.11 -0.61 -0.04 1.67 1.11 2dcuA1 ARG 327 HD2 0.00 0.00 -0.14 -0.04 3.22 3.04 2dcuA1 ARG 327 HD3 0.00 -0.05 -0.12 -0.04 3.22 3.02 2dcuA1 LEU 328 H -0.04 0.51 0.31 -0.55 8.37 8.61 2dcuA1 LEU 328 HA -0.07 0.38 0.77 -0.75 4.35 4.68 2dcuA1 LEU 328 HB2 -0.06 -0.07 -0.20 -0.04 1.64 1.26 2dcuA1 LEU 328 HB3 -0.07 -0.12 -0.20 -0.04 1.64 1.21 2dcuA1 LEU 328 HG -0.09 -0.03 -0.97 -0.04 1.64 0.51 2dcuA1 LEU 328 HD13 -0.07 -0.01 -0.34 -0.04 0.93 0.47 2dcuA1 LEU 328 HD23 -0.13 0.03 -0.38 -0.04 0.89 0.36 2dcuA1 GLU 329 H -0.05 0.40 0.26 -0.55 8.60 8.66 2dcuA1 GLU 329 HA -0.10 0.21 0.81 -0.75 4.29 4.46 2dcuA1 GLU 329 HB2 -0.02 0.03 0.15 -0.04 2.09 2.21 2dcuA1 GLU 329 HB3 -0.00 -0.08 0.31 -0.04 1.99 2.17 2dcuA1 GLU 329 HG2 -0.17 0.08 -0.03 -0.04 2.34 2.18 2dcuA1 GLU 329 HG3 -0.06 0.05 0.10 -0.04 2.34 2.39 2dcuA1 VAL 330 H -0.15 0.16 -0.13 -0.55 8.24 7.57 2dcuA1 VAL 330 HA -0.20 0.13 0.41 -0.75 4.13 3.72 2dcuA1 VAL 330 HB -0.13 -0.08 -0.14 -0.04 2.12 1.72 2dcuA1 VAL 330 HG13 -0.10 -0.02 -0.27 -0.04 0.97 0.55 2dcuA1 VAL 330 HG23 -0.08 0.01 -0.20 -0.04 0.95 0.63 2dcuA1 HIS 331 H -0.29 0.54 0.24 -0.55 8.41 8.35 2dcuA1 HIS 331 HA -0.15 0.10 0.82 -0.75 4.63 4.64 2dcuA1 HIS 331 HB2 -1.13 0.05 0.16 -0.04 3.26 2.31 2dcuA1 HIS 331 HB3 -0.27 0.00 0.05 -0.04 3.20 2.94 2dcuA1 HIS 331 HD2 -0.24 0.07 -0.09 -0.04 6.97 6.66 2dcuA1 HIS 331 HE1 -0.02 -0.05 0.01 -0.04 7.75 7.64 2dcuA1 LEU 332 H -0.03 0.11 0.07 -0.55 8.37 7.98 2dcuA1 LEU 332 HA 0.02 0.06 0.69 -0.75 4.35 4.36 2dcuA1 LEU 332 HB2 0.01 -0.03 0.09 -0.04 1.64 1.67 2dcuA1 LEU 332 HB3 0.02 0.16 0.11 -0.04 1.64 1.89 2dcuA1 LEU 332 HG -0.03 -0.05 -0.00 -0.04 1.64 1.52 2dcuA1 LEU 332 HD13 0.00 -0.01 -0.07 -0.04 0.93 0.82 2dcuA1 LEU 332 HD23 -0.02 -0.03 -0.17 -0.04 0.89 0.62 2dcuA1 LEU 333 H 0.07 0.54 0.41 -0.55 8.37 8.84 2dcuA1 LEU 333 HA 0.09 0.16 0.72 -0.75 4.35 4.57 2dcuA1 LEU 333 HB2 0.08 0.00 -0.09 -0.04 1.64 1.59 2dcuA1 LEU 333 HB3 0.08 -0.04 -0.05 -0.04 1.64 1.60 2dcuA1 LEU 333 HG 0.14 -0.06 -0.09 -0.04 1.64 1.59 2dcuA1 LEU 333 HD13 0.09 0.00 -0.13 -0.04 0.93 0.84 2dcuA1 LEU 333 HD23 0.31 0.02 -0.17 -0.04 0.89 1.01 2dcuA1 GLU 334 H 0.06 0.17 0.05 -0.55 8.60 8.34 2dcuA1 GLU 334 HA 0.04 0.16 0.67 -0.75 4.29 4.40 2dcuA1 GLU 334 HB2 0.03 0.01 0.07 -0.04 2.09 2.16 2dcuA1 GLU 334 HB3 0.04 0.03 0.06 -0.04 1.99 2.08 2dcuA1 GLU 334 HG2 0.04 0.04 0.08 -0.04 2.34 2.47 2dcuA1 GLU 334 HG3 0.05 -0.05 0.15 -0.04 2.34 2.44 2dcuA1 ARG 335 H 0.04 0.35 -0.10 -0.55 8.46 8.20 2dcuA1 ARG 335 HA 0.05 0.01 0.50 -0.75 4.34 4.14 2dcuA1 ARG 335 HB2 0.04 0.09 -0.04 -0.04 1.90 1.95 2dcuA1 ARG 335 HB3 0.06 -0.10 0.03 -0.04 1.80 1.75 2dcuA1 ARG 335 HG2 0.06 -0.12 -0.23 -0.04 1.67 1.33 2dcuA1 ARG 335 HG3 0.05 0.16 0.05 -0.04 1.67 1.89 2dcuA1 ARG 335 HD2 0.07 -0.13 -0.04 -0.04 3.22 3.08 2dcuA1 ARG 335 HD3 0.06 -0.01 -0.10 -0.04 3.22 3.13 2dcuA1 VAL 336 H 0.03 -0.03 0.18 -0.55 8.24 7.86 2dcuA1 VAL 336 HA 0.01 0.25 0.86 -0.75 4.13 4.50 2dcuA1 VAL 336 HB -0.01 -0.07 -0.02 -0.04 2.12 1.97 2dcuA1 VAL 336 HG13 0.01 0.04 -0.11 -0.04 0.97 0.86 2dcuA1 VAL 336 HG23 -0.00 0.00 0.08 -0.04 0.95 1.00 2dcuA1 VAL 337 H 0.00 -0.00 0.10 -0.55 8.24 7.79 2dcuA1 VAL 337 HA -0.04 0.09 0.63 -0.75 4.13 4.05 2dcuA1 VAL 337 HB -0.18 -0.11 -0.10 -0.04 2.12 1.69 2dcuA1 VAL 337 HG13 -0.02 0.01 0.08 -0.04 0.97 0.99 2dcuA1 VAL 337 HG23 -0.10 -0.01 -0.18 -0.04 0.95 0.62 2dcuA1 GLY 338 H -0.01 0.22 0.22 -0.55 8.43 8.32 2dcuA1 GLY 338 HA2 0.01 -0.02 0.26 -0.51 4.01 3.74 2dcuA1 GLY 338 HA3 0.01 0.23 0.72 -0.51 4.01 4.46 2dcuA1 THR 339 H 0.01 0.18 0.11 -0.55 8.28 8.03 2dcuA1 THR 339 HA -0.00 0.24 0.91 -0.75 4.39 4.79 2dcuA1 THR 339 HB -0.00 0.01 0.08 -0.04 4.32 4.37 2dcuA1 THR 339 HG23 -0.00 0.02 -0.09 -0.04 1.22 1.10 2dcuA1 GLU 340 H -0.00 0.19 0.10 -0.55 8.60 8.35 2dcuA1 GLU 340 HA 0.00 0.10 0.26 -0.75 4.29 3.90 2dcuA1 GLU 340 HB2 0.00 0.08 0.06 -0.04 2.09 2.19 2dcuA1 GLU 340 HB3 -0.00 0.01 0.14 -0.04 1.99 2.11 2dcuA1 GLU 340 HG2 -0.00 0.10 -0.20 -0.04 2.34 2.19 2dcuA1 GLU 340 HG3 -0.00 0.05 -0.01 -0.04 2.34 2.34 2dcuA1 GLN 341 H -0.00 -0.02 -0.33 -0.55 8.47 7.58 2dcuA1 GLN 341 HA -0.00 0.10 0.34 -0.75 4.36 4.04 2dcuA1 GLN 341 HB2 -0.01 -0.02 0.07 -0.04 2.15 2.15 2dcuA1 GLN 341 HB3 -0.01 -0.19 0.10 -0.04 2.02 1.89 2dcuA1 GLN 341 HG2 -0.01 0.02 -0.02 -0.04 2.40 2.35 2dcuA1 GLN 341 HG3 -0.01 -0.03 -0.04 -0.04 2.39 2.26 2dcuA1 GLN 341 HE21 -0.01 0.03 -0.19 -0.04 6.97 6.76 2dcuA1 GLN 341 HE22 -0.02 -0.07 -0.12 -0.04 7.69 7.45 2dcuA1 GLU 342 H -0.00 -0.06 -0.04 -0.55 8.60 7.96 2dcuA1 GLU 342 HA 0.00 0.01 0.24 -0.75 4.29 3.79 2dcuA1 GLU 342 HB2 0.01 -0.20 0.17 -0.04 2.09 2.03 2dcuA1 GLU 342 HB3 0.02 0.07 -0.08 -0.04 1.99 1.96 2dcuA1 GLU 342 HG2 0.01 -0.00 0.02 -0.04 2.34 2.33 2dcuA1 GLU 342 HG3 0.00 0.08 0.03 -0.04 2.34 2.41 2dcuA1 LEU 343 H 0.01 0.43 -0.67 -0.55 8.37 7.60 2dcuA1 LEU 343 HA 0.02 -0.02 0.11 -0.75 4.35 3.70 2dcuA1 LEU 343 HB2 0.01 -0.15 -0.43 -0.04 1.64 1.03 2dcuA1 LEU 343 HB3 0.01 -0.07 0.08 -0.04 1.64 1.63 2dcuA1 LEU 343 HG 0.02 0.10 -0.19 -0.04 1.64 1.53 2dcuA1 LEU 343 HD13 0.01 -0.04 -0.55 -0.04 0.93 0.31 2dcuA1 LEU 343 HD23 0.01 -0.03 -0.07 -0.04 0.89 0.75 2dcuA1 ASN 344 H 0.01 0.26 0.05 -0.55 8.53 8.31 2dcuA1 ASN 344 HA 0.01 -0.00 0.41 -0.75 4.76 4.43 2dcuA1 ASN 344 HB2 0.01 -0.08 0.14 -0.04 2.88 2.91 2dcuA1 ASN 344 HB3 0.01 -0.01 0.19 -0.04 2.79 2.93 2dcuA1 ASN 344 HD21 0.01 -0.03 -0.09 -0.04 7.03 6.87 2dcuA1 ASN 344 HD22 0.01 -0.04 -0.12 -0.04 7.74 7.55 2dcuA1 VAL 345 H 0.02 0.25 0.42 -0.55 8.24 8.38 2dcuA1 VAL 345 HA 0.02 -0.00 0.37 -0.75 4.13 3.75 2dcuA1 VAL 345 HB 0.03 0.10 0.21 -0.04 2.12 2.41 2dcuA1 VAL 345 HG13 0.02 -0.01 0.13 -0.04 0.97 1.06 2dcuA1 VAL 345 HG23 0.02 -0.02 -0.16 -0.04 0.95 0.75 2dcuA1 GLU 346 H 0.01 0.06 0.18 -0.55 8.60 8.30 2dcuA1 GLU 346 HA 0.00 0.10 0.58 -0.75 4.29 4.21 2dcuA1 GLU 346 HB2 0.00 -0.09 0.11 -0.04 2.09 2.08 2dcuA1 GLU 346 HB3 0.00 0.06 0.01 -0.04 1.99 2.02 2dcuA1 GLU 346 HG2 0.00 0.12 0.03 -0.04 2.34 2.44 2dcuA1 GLU 346 HG3 0.00 -0.07 0.03 -0.04 2.34 2.26 2dcuA1 PRO 347 HA -0.00 -0.00 0.38 -0.51 4.44 4.31 2dcuA1 PRO 347 HB2 -0.01 0.09 0.03 -0.04 2.28 2.35 2dcuA1 PRO 347 HB3 -0.01 0.01 0.12 -0.04 2.02 2.09 2dcuA1 PRO 347 HG2 -0.00 0.02 0.03 -0.04 2.03 2.04 2dcuA1 PRO 347 HG3 -0.00 0.01 0.08 -0.04 2.03 2.07 2dcuA1 PRO 347 HD2 0.00 0.03 0.21 -0.04 3.68 3.88 2dcuA1 PRO 347 HD3 0.00 0.17 0.20 -0.04 3.65 3.97 2dcuA1 ILE 348 H -0.00 0.03 0.11 -0.55 8.25 7.84 2dcuA1 ILE 348 HA 0.01 0.02 0.35 -0.75 4.18 3.81 2dcuA1 ILE 348 HB -0.01 -0.02 -0.01 -0.04 1.89 1.81 2dcuA1 ILE 348 HG12 0.02 0.01 -0.05 -0.04 1.49 1.43 2dcuA1 ILE 348 HG13 0.00 -0.01 0.05 -0.04 1.21 1.21 2dcuA1 ILE 348 HG23 0.01 0.02 -0.07 -0.04 0.93 0.85 2dcuA1 ILE 348 HD13 -0.02 -0.00 -0.13 -0.04 0.88 0.69 2dcuA1 LYS 349 H 0.01 0.09 0.18 -0.55 8.42 8.14 2dcuA1 LYS 349 HA 0.00 0.20 0.92 -0.75 4.32 4.69 2dcuA1 LYS 349 HB2 0.01 0.05 -0.01 -0.04 1.87 1.88 2dcuA1 LYS 349 HB3 0.01 0.00 -0.06 -0.04 1.79 1.70 2dcuA1 LYS 349 HG2 0.01 0.04 0.01 -0.04 1.46 1.47 2dcuA1 LYS 349 HG3 0.00 -0.09 0.12 -0.04 1.46 1.46 2dcuA1 LYS 349 HD2 0.00 -0.04 -0.00 -0.04 1.69 1.61 2dcuA1 LYS 349 HD3 0.00 0.11 -0.07 -0.04 1.68 1.68 2dcuA1 LYS 349 HE2 0.00 -0.02 -0.02 -0.04 2.99 2.91 2dcuA1 LYS 349 HE3 0.00 -0.02 -0.03 -0.04 2.99 2.91 2dcuA1 ARG 350 H 0.00 0.13 0.11 -0.55 8.46 8.15 2dcuA1 ARG 350 HA 0.01 0.03 0.36 -0.75 4.34 3.99 2dcuA1 ARG 350 HB2 0.01 -0.02 0.12 -0.04 1.90 1.96 2dcuA1 ARG 350 HB3 0.01 0.07 -0.07 -0.04 1.80 1.77 2dcuA1 ARG 350 HG2 0.01 0.02 -0.19 -0.04 1.67 1.47 2dcuA1 ARG 350 HG3 0.00 -0.01 -0.18 -0.04 1.67 1.45 2dcuA1 ARG 350 HD2 0.00 -0.01 -0.04 -0.04 3.22 3.14 2dcuA1 ARG 350 HD3 0.00 0.00 0.00 -0.04 3.22 3.18 2dcuA1 LYS 351 H 0.02 0.76 0.40 -0.55 8.42 9.04 2dcuA1 LYS 351 HA 0.02 0.05 0.39 -0.75 4.32 4.02 2dcuA1 LYS 351 HB2 0.01 0.34 -0.14 -0.04 1.87 2.04 2dcuA1 LYS 351 HB3 0.02 -0.06 0.14 -0.04 1.79 1.84 2dcuA1 LYS 351 HG2 0.02 -0.03 0.05 -0.04 1.46 1.45 2dcuA1 LYS 351 HG3 0.02 0.03 0.01 -0.04 1.46 1.47 2dcuA1 LYS 351 HD2 0.01 -0.02 -0.14 -0.04 1.69 1.50 2dcuA1 LYS 351 HD3 0.01 -0.01 -0.04 -0.04 1.68 1.60 2dcuA1 LYS 351 HE2 0.01 -0.02 -0.03 -0.04 2.99 2.91 2dcuA1 LYS 351 HE3 0.01 -0.01 -0.01 -0.04 2.99 2.94 2dcuA1 GLU 352 H 0.02 0.39 -0.20 -0.55 8.60 8.27 2dcuA1 GLU 352 HA 0.04 0.06 0.52 -0.75 4.29 4.15 2dcuA1 GLU 352 HB2 0.03 -0.00 0.07 -0.04 2.09 2.15 2dcuA1 GLU 352 HB3 0.03 0.01 0.13 -0.04 1.99 2.13 2dcuA1 GLU 352 HG2 0.08 0.02 -0.21 -0.04 2.34 2.19 2dcuA1 GLU 352 HG3 0.05 -0.02 0.09 -0.04 2.34 2.41 2dcuA1 VAL 353 H 0.08 0.13 0.18 -0.55 8.24 8.08 2dcuA1 VAL 353 HA 0.08 0.27 1.03 -0.75 4.13 4.76 2dcuA1 VAL 353 HB 0.16 -0.06 0.22 -0.04 2.12 2.40 2dcuA1 VAL 353 HG13 0.13 0.01 -0.11 -0.04 0.97 0.97 2dcuA1 VAL 353 HG23 0.07 0.01 -0.03 -0.04 0.95 0.96 2dcuA1 LEU 354 H 0.06 0.52 0.28 -0.55 8.37 8.68 2dcuA1 LEU 354 HA 0.21 0.16 0.83 -0.75 4.35 4.80 2dcuA1 LEU 354 HB2 0.01 0.00 -0.04 -0.04 1.64 1.57 2dcuA1 LEU 354 HB3 0.03 -0.01 -0.03 -0.04 1.64 1.59 2dcuA1 LEU 354 HG 0.06 0.03 -0.18 -0.04 1.64 1.50 2dcuA1 LEU 354 HD13 0.02 -0.01 -0.15 -0.04 0.93 0.75 2dcuA1 LEU 354 HD23 0.10 -0.00 -0.20 -0.04 0.89 0.75 2dcuA1 LEU 355 H -0.07 0.70 0.33 -0.55 8.37 8.79 2dcuA1 LEU 355 HA -0.41 0.12 0.85 -0.75 4.35 4.16 2dcuA1 LEU 355 HB2 -1.80 -0.01 -0.04 -0.04 1.64 -0.25 2dcuA1 LEU 355 HB3 -0.46 0.01 0.15 -0.04 1.64 1.29 2dcuA1 LEU 355 HG -0.38 0.01 -0.31 -0.04 1.64 0.92 2dcuA1 LEU 355 HD13 -0.53 0.01 -0.13 -0.04 0.93 0.24 2dcuA1 LEU 355 HD23 -1.05 -0.01 -0.13 -0.04 0.89 -0.34 2dcuA1 LEU 356 H -0.17 0.85 0.31 -0.55 8.37 8.81 2dcuA1 LEU 356 HA -0.09 0.38 1.16 -0.75 4.35 5.05 2dcuA1 LEU 356 HB2 -0.09 0.09 -0.01 -0.04 1.64 1.59 2dcuA1 LEU 356 HB3 -0.08 0.01 -0.16 -0.04 1.64 1.37 2dcuA1 LEU 356 HG -0.07 -0.09 -0.32 -0.04 1.64 1.13 2dcuA1 LEU 356 HD13 -0.06 -0.01 -0.30 -0.04 0.93 0.52 2dcuA1 LEU 356 HD23 -0.05 0.01 -0.25 -0.04 0.89 0.57 2dcuA1 ASN 357 H -0.07 0.64 0.30 -0.55 8.53 8.86 2dcuA1 ASN 357 HA -0.08 0.36 0.96 -0.75 4.76 5.25 2dcuA1 ASN 357 HB2 -0.05 -0.10 0.14 -0.04 2.88 2.82 2dcuA1 ASN 357 HB3 -0.05 0.06 -0.06 -0.04 2.79 2.69 2dcuA1 ASN 357 HD21 -0.12 -0.03 -0.29 -0.04 7.03 6.55 2dcuA1 ASN 357 HD22 -0.08 0.03 -0.28 -0.04 7.74 7.37 2dcuA1 VAL 358 H -0.06 0.73 0.13 -0.55 8.24 8.49 2dcuA1 VAL 358 HA -0.05 0.19 0.76 -0.75 4.13 4.27 2dcuA1 VAL 358 HB -0.09 -0.04 -0.18 -0.04 2.12 1.76 2dcuA1 VAL 358 HG13 -0.08 -0.01 -0.17 -0.04 0.97 0.66 2dcuA1 VAL 358 HG23 -0.09 0.05 -0.13 -0.04 0.95 0.74 2dcuA1 GLY 359 H -0.03 0.28 0.05 -0.55 8.43 8.18 2dcuA1 GLY 359 HA2 -0.02 0.05 0.32 -0.51 4.01 3.85 2dcuA1 GLY 359 HA3 -0.02 0.06 0.49 -0.51 4.01 4.02 2dcuA1 THR 360 H -0.02 0.16 0.22 -0.55 8.28 8.09 2dcuA1 THR 360 HA -0.02 0.11 0.76 -0.75 4.39 4.50 2dcuA1 THR 360 HB -0.03 -0.05 0.20 -0.04 4.32 4.40 2dcuA1 THR 360 HG23 0.00 -0.02 -0.15 -0.04 1.22 1.00 2dcuA1 ALA 361 H -0.04 0.33 0.09 -0.55 8.40 8.23 2dcuA1 ALA 361 HA -0.06 0.06 0.70 -0.75 4.34 4.28 2dcuA1 ALA 361 HB3 -0.06 0.09 0.13 -0.04 1.41 1.53 2dcuA1 ARG 362 H -0.08 0.27 0.21 -0.55 8.46 8.30 2dcuA1 ARG 362 HA -0.10 0.37 1.00 -0.75 4.34 4.85 2dcuA1 ARG 362 HB2 -0.09 -0.02 -0.07 -0.04 1.90 1.68 2dcuA1 ARG 362 HB3 -0.08 -0.02 0.11 -0.04 1.80 1.76 2dcuA1 ARG 362 HG2 -0.13 -0.02 -0.42 -0.04 1.67 1.05 2dcuA1 ARG 362 HG3 -0.18 0.01 -0.11 -0.04 1.67 1.35 2dcuA1 ARG 362 HD2 -0.12 -0.02 -0.07 -0.04 3.22 2.97 2dcuA1 ARG 362 HD3 -0.09 -0.00 -0.02 -0.04 3.22 3.07 2dcuA1 THR 363 H -0.12 0.68 0.28 -0.55 8.28 8.57 2dcuA1 THR 363 HA -0.09 0.11 0.70 -0.75 4.39 4.35 2dcuA1 THR 363 HB -0.07 0.16 -0.17 -0.04 4.32 4.20 2dcuA1 THR 363 HG23 -0.07 0.01 -0.24 -0.04 1.22 0.89 2dcuA1 MET 364 H -0.07 0.13 0.21 -0.55 8.47 8.19 2dcuA1 MET 364 HA -0.14 0.30 0.86 -0.75 4.52 4.78 2dcuA1 MET 364 HB2 -0.02 -0.06 0.11 -0.04 2.15 2.14 2dcuA1 MET 364 HB3 -0.01 0.06 0.05 -0.04 2.03 2.09 2dcuA1 MET 364 HG2 -0.13 -0.08 -0.00 -0.04 2.63 2.38 2dcuA1 MET 364 HG3 -0.02 0.00 0.02 -0.04 2.56 2.53 2dcuA1 MET 364 HE3 -0.46 -0.01 -0.09 -0.04 2.10 1.49 2dcuA1 GLY 365 H -0.03 0.52 0.29 -0.55 8.43 8.66 2dcuA1 GLY 365 HA2 -0.00 0.42 0.98 -0.51 4.01 4.90 2dcuA1 GLY 365 HA3 -0.02 -0.04 0.15 -0.51 4.01 3.60 2dcuA1 LEU 366 H 0.02 0.41 0.28 -0.55 8.37 8.53 2dcuA1 LEU 366 HA 0.03 0.30 1.06 -0.75 4.35 4.99 2dcuA1 LEU 366 HB2 0.03 0.03 -0.01 -0.04 1.64 1.65 2dcuA1 LEU 366 HB3 0.02 -0.08 0.16 -0.04 1.64 1.70 2dcuA1 LEU 366 HG 0.02 -0.01 -0.35 -0.04 1.64 1.26 2dcuA1 LEU 366 HD13 0.03 0.03 -0.09 -0.04 0.93 0.85 2dcuA1 LEU 366 HD23 0.02 -0.01 -0.04 -0.04 0.89 0.82 2dcuA1 VAL 367 H 0.02 0.50 0.25 -0.55 8.24 8.46 2dcuA1 VAL 367 HA 0.01 0.46 0.72 -0.75 4.13 4.57 2dcuA1 VAL 367 HB 0.02 -0.16 0.40 -0.04 2.12 2.34 2dcuA1 VAL 367 HG13 0.00 -0.04 -0.07 -0.04 0.97 0.83 2dcuA1 VAL 367 HG23 0.02 0.05 0.07 -0.04 0.95 1.04 2dcuA1 THR 368 H 0.01 0.33 0.20 -0.55 8.28 8.27 2dcuA1 THR 368 HA 0.01 0.17 0.91 -0.75 4.39 4.73 2dcuA1 THR 368 HB 0.02 -0.00 0.14 -0.04 4.32 4.43 2dcuA1 THR 368 HG23 0.02 0.11 -0.10 -0.04 1.22 1.21 2dcuA1 ALA 369 H 0.01 0.22 0.11 -0.55 8.40 8.19 2dcuA1 ALA 369 HA 0.00 0.14 0.54 -0.75 4.34 4.27 2dcuA1 ALA 369 HB3 0.01 0.03 -0.08 -0.04 1.41 1.32 2dcuA1 LEU 370 H -0.00 0.29 0.18 -0.55 8.37 8.30 2dcuA1 LEU 370 HA -0.01 0.18 0.92 -0.75 4.35 4.68 2dcuA1 LEU 370 HB2 -0.00 -0.08 0.01 -0.04 1.64 1.53 2dcuA1 LEU 370 HB3 -0.01 0.07 -0.02 -0.04 1.64 1.64 2dcuA1 LEU 370 HG -0.01 0.08 0.08 -0.04 1.64 1.75 2dcuA1 LEU 370 HD13 -0.00 0.08 -0.23 -0.04 0.93 0.74 2dcuA1 LEU 370 HD23 -0.00 0.01 0.02 -0.04 0.89 0.87 2dcuA1 GLY 371 H -0.02 0.42 0.26 -0.55 8.43 8.54 2dcuA1 GLY 371 HA2 -0.01 0.14 0.67 -0.51 4.01 4.30 2dcuA1 GLY 371 HA3 -0.02 0.02 0.27 -0.51 4.01 3.78 2dcuA1 LYS 372 H -0.02 0.18 0.08 -0.55 8.42 8.11 2dcuA1 LYS 372 HA -0.03 0.12 0.81 -0.75 4.32 4.47 2dcuA1 LYS 372 HB2 -0.02 -0.02 0.10 -0.04 1.87 1.89 2dcuA1 LYS 372 HB3 -0.02 0.02 0.21 -0.04 1.79 1.96 2dcuA1 LYS 372 HG2 -0.03 0.06 -0.11 -0.04 1.46 1.33 2dcuA1 LYS 372 HG3 -0.02 -0.01 0.04 -0.04 1.46 1.43 2dcuA1 LYS 372 HD2 -0.01 0.01 0.00 -0.04 1.69 1.64 2dcuA1 LYS 372 HD3 -0.01 -0.02 0.02 -0.04 1.68 1.63 2dcuA1 LYS 372 HE2 -0.02 -0.02 0.05 -0.04 2.99 2.96 2dcuA1 LYS 372 HE3 -0.02 0.05 -0.01 -0.04 2.99 2.96 2dcuA1 ASP 373 H -0.05 0.22 0.18 -0.55 8.40 8.20 2dcuA1 ASP 373 HA -0.11 0.00 0.35 -0.75 4.63 4.12 2dcuA1 ASP 373 HB2 -0.10 0.18 0.14 -0.04 2.71 2.89 2dcuA1 ASP 373 HB3 -0.20 0.15 0.23 -0.04 2.70 2.84 2dcuA1 GLU 374 H -0.06 0.23 -0.15 -0.55 8.60 8.07 2dcuA1 GLU 374 HA -0.08 0.21 0.77 -0.75 4.29 4.44 2dcuA1 GLU 374 HB2 -0.05 0.16 0.00 -0.04 2.09 2.16 2dcuA1 GLU 374 HB3 -0.04 -0.12 -0.34 -0.04 1.99 1.45 2dcuA1 GLU 374 HG2 -0.03 0.02 -0.39 -0.04 2.34 1.90 2dcuA1 GLU 374 HG3 -0.02 0.03 -0.08 -0.04 2.34 2.23 2dcuA1 ILE 375 H -0.04 0.48 0.33 -0.55 8.25 8.46 2dcuA1 ILE 375 HA -0.02 0.13 0.61 -0.75 4.18 4.15 2dcuA1 ILE 375 HB -0.02 0.07 0.15 -0.04 1.89 2.05 2dcuA1 ILE 375 HG12 -0.05 -0.06 -0.13 -0.04 1.49 1.21 2dcuA1 ILE 375 HG13 -0.03 0.01 -0.40 -0.04 1.21 0.76 2dcuA1 ILE 375 HG23 -0.03 -0.03 -0.23 -0.04 0.93 0.60 2dcuA1 ILE 375 HD13 -0.02 0.01 -0.20 -0.04 0.88 0.63 2dcuA1 GLU 376 H -0.00 0.30 0.23 -0.55 8.60 8.58 2dcuA1 GLU 376 HA 0.00 0.30 1.08 -0.75 4.29 4.92 2dcuA1 GLU 376 HB2 0.01 -0.06 -0.09 -0.04 2.09 1.90 2dcuA1 GLU 376 HB3 0.01 -0.06 -0.13 -0.04 1.99 1.77 2dcuA1 GLU 376 HG2 0.03 -0.00 -0.11 -0.04 2.34 2.22 2dcuA1 GLU 376 HG3 0.03 0.05 -0.08 -0.04 2.34 2.29 2dcuA1 LEU 377 H 0.01 0.55 0.29 -0.55 8.37 8.68 2dcuA1 LEU 377 HA 0.01 0.37 0.70 -0.75 4.35 4.69 2dcuA1 LEU 377 HB2 -0.02 0.07 -0.16 -0.04 1.64 1.49 2dcuA1 LEU 377 HB3 -0.00 -0.01 -0.26 -0.04 1.64 1.33 2dcuA1 LEU 377 HG -0.00 0.16 -0.48 -0.04 1.64 1.28 2dcuA1 LEU 377 HD13 -0.03 -0.00 -0.38 -0.04 0.93 0.48 2dcuA1 LEU 377 HD23 -0.00 -0.03 -0.46 -0.04 0.89 0.36 2dcuA1 LYS 378 H 0.02 0.31 0.30 -0.55 8.42 8.50 2dcuA1 LYS 378 HA 0.05 0.11 0.92 -0.75 4.32 4.64 2dcuA1 LYS 378 HB2 0.03 -0.04 0.11 -0.04 1.87 1.93 2dcuA1 LYS 378 HB3 0.03 -0.07 0.16 -0.04 1.79 1.87 2dcuA1 LYS 378 HG2 0.04 0.16 -0.11 -0.04 1.46 1.50 2dcuA1 LYS 378 HG3 0.05 0.07 0.14 -0.04 1.46 1.67 2dcuA1 LYS 378 HD2 0.03 -0.05 0.01 -0.04 1.69 1.64 2dcuA1 LYS 378 HD3 0.03 -0.02 -0.01 -0.04 1.68 1.63 2dcuA1 LYS 378 HE2 0.04 0.10 0.02 -0.04 2.99 3.11 2dcuA1 LYS 378 HE3 0.03 -0.05 0.01 -0.04 2.99 2.94 2dcuA1 LEU 379 H 0.05 0.58 0.17 -0.55 8.37 8.62 2dcuA1 LEU 379 HA 0.01 0.15 0.71 -0.75 4.35 4.46 2dcuA1 LEU 379 HB2 0.06 0.03 -0.19 -0.04 1.64 1.50 2dcuA1 LEU 379 HB3 0.02 0.14 -0.17 -0.04 1.64 1.59 2dcuA1 LEU 379 HG 0.06 -0.07 -0.50 -0.04 1.64 1.08 2dcuA1 LEU 379 HD13 0.06 0.04 -0.34 -0.04 0.93 0.64 2dcuA1 LEU 379 HD23 -0.02 -0.01 -0.45 -0.04 0.89 0.38 2dcuA1 GLN 380 H 0.00 0.55 0.28 -0.55 8.47 8.76 2dcuA1 GLN 380 HA 0.04 0.03 0.49 -0.75 4.36 4.17 2dcuA1 GLN 380 HB2 0.01 0.02 0.15 -0.04 2.15 2.29 2dcuA1 GLN 380 HB3 -0.01 -0.14 0.22 -0.04 2.02 2.05 2dcuA1 GLN 380 HG2 0.03 0.05 -0.04 -0.04 2.40 2.41 2dcuA1 GLN 380 HG3 0.03 -0.02 0.07 -0.04 2.39 2.42 2dcuA1 GLN 380 HE21 0.01 -0.00 0.01 -0.04 6.97 6.95 2dcuA1 GLN 380 HE22 0.03 0.01 0.01 -0.04 7.69 7.69 2dcuA1 ILE 381 H 0.01 0.12 -0.10 -0.55 8.25 7.73 2dcuA1 ILE 381 HA 0.11 0.19 0.74 -0.75 4.18 4.46 2dcuA1 ILE 381 HB -0.09 0.07 -0.08 -0.04 1.89 1.76 2dcuA1 ILE 381 HG12 0.01 0.06 -0.30 -0.04 1.49 1.22 2dcuA1 ILE 381 HG13 -0.02 -0.24 -0.03 -0.04 1.21 0.88 2dcuA1 ILE 381 HG23 -0.14 0.02 0.04 -0.04 0.93 0.81 2dcuA1 ILE 381 HD13 -0.05 0.04 0.08 -0.04 0.88 0.91 2dcuA1 PRO 382 HA 0.07 0.22 0.53 -0.51 4.44 4.75 2dcuA1 PRO 382 HB2 -0.04 -0.03 0.02 -0.04 2.28 2.18 2dcuA1 PRO 382 HB3 0.09 0.06 0.06 -0.04 2.02 2.18 2dcuA1 PRO 382 HG2 0.38 -0.04 0.03 -0.04 2.03 2.36 2dcuA1 PRO 382 HG3 0.16 0.03 0.06 -0.04 2.03 2.25 2dcuA1 PRO 382 HD2 -0.04 0.09 0.13 -0.04 3.68 3.83 2dcuA1 PRO 382 HD3 0.26 0.16 0.03 -0.04 3.65 4.06 2dcuA1 VAL 383 H 0.11 0.26 0.24 -0.55 8.24 8.30 2dcuA1 VAL 383 HA -0.02 0.19 0.89 -0.75 4.13 4.43 2dcuA1 VAL 383 HB -0.04 0.04 -0.09 -0.04 2.12 1.99 2dcuA1 VAL 383 HG13 -0.04 0.03 -0.28 -0.04 0.97 0.64 2dcuA1 VAL 383 HG23 -0.06 -0.02 -0.15 -0.04 0.95 0.68 2dcuA1 CYS 384 H 0.02 0.20 0.08 -0.55 8.50 8.25 2dcuA1 CYS 384 HA 0.19 0.12 0.51 -0.75 4.58 4.64 2dcuA1 CYS 384 HB2 0.04 -0.03 0.00 -0.04 2.97 2.94 2dcuA1 CYS 384 HB3 0.02 -0.01 0.19 -0.04 2.97 3.13 2dcuA1 ALA 385 H 0.45 0.62 0.23 -0.55 8.40 9.16 2dcuA1 ALA 385 HA 0.07 0.10 0.80 -0.75 4.34 4.56 2dcuA1 ALA 385 HB3 -0.18 0.01 -0.21 -0.04 1.41 0.99 2dcuA1 GLU 386 H 0.06 0.13 0.13 -0.55 8.60 8.38 2dcuA1 GLU 386 HA 0.18 0.15 0.69 -0.75 4.29 4.56 2dcuA1 GLU 386 HB2 0.06 -0.04 0.12 -0.04 2.09 2.19 2dcuA1 GLU 386 HB3 0.05 -0.00 0.01 -0.04 1.99 2.01 2dcuA1 GLU 386 HG2 0.05 -0.00 -0.01 -0.04 2.34 2.34 2dcuA1 GLU 386 HG3 0.08 0.07 0.05 -0.04 2.34 2.49 2dcuA1 PRO 387 HA 0.05 -0.00 0.44 -0.51 4.44 4.41 2dcuA1 PRO 387 HB2 0.16 0.03 -0.04 -0.04 2.28 2.40 2dcuA1 PRO 387 HB3 0.44 0.01 0.02 -0.04 2.02 2.45 2dcuA1 PRO 387 HG2 0.12 0.02 0.13 -0.04 2.03 2.26 2dcuA1 PRO 387 HG3 0.18 0.01 0.09 -0.04 2.03 2.26 2dcuA1 PRO 387 HD2 0.17 0.06 0.28 -0.04 3.68 4.15 2dcuA1 PRO 387 HD3 0.40 0.21 0.26 -0.04 3.65 4.48 2dcuA1 GLY 388 H -0.02 0.23 0.26 -0.55 8.43 8.36 2dcuA1 GLY 388 HA2 0.02 0.00 0.37 -0.51 4.01 3.89 2dcuA1 GLY 388 HA3 0.03 0.16 0.83 -0.51 4.01 4.51 2dcuA1 GLU 389 H -0.01 0.37 -0.05 -0.55 8.60 8.36 2dcuA1 GLU 389 HA -0.01 0.06 0.54 -0.75 4.29 4.13 2dcuA1 GLU 389 HB2 -0.05 0.16 0.18 -0.04 2.09 2.34 2dcuA1 GLU 389 HB3 -0.04 0.03 0.04 -0.04 1.99 1.97 2dcuA1 GLU 389 HG2 -0.01 0.01 0.10 -0.04 2.34 2.41 2dcuA1 GLU 389 HG3 0.01 0.04 0.01 -0.04 2.34 2.36 2dcuA1 ARG 390 H -0.01 0.16 0.29 -0.55 8.46 8.34 2dcuA1 ARG 390 HA 0.05 0.11 0.75 -0.75 4.34 4.51 2dcuA1 ARG 390 HB2 -0.01 -0.00 0.22 -0.04 1.90 2.06 2dcuA1 ARG 390 HB3 -0.04 0.19 0.20 -0.04 1.80 2.11 2dcuA1 ARG 390 HG2 0.06 -0.08 -0.13 -0.04 1.67 1.48 2dcuA1 ARG 390 HG3 0.22 -0.01 0.02 -0.04 1.67 1.85 2dcuA1 ARG 390 HD2 -0.25 0.11 0.01 -0.04 3.22 3.06 2dcuA1 ARG 390 HD3 -0.79 -0.09 -0.05 -0.04 3.22 2.25 2dcuA1 VAL 391 H 0.05 0.65 0.37 -0.55 8.24 8.76 2dcuA1 VAL 391 HA -0.03 0.31 1.19 -0.75 4.13 4.84 2dcuA1 VAL 391 HB -0.05 -0.13 -0.03 -0.04 2.12 1.87 2dcuA1 VAL 391 HG13 -0.07 0.01 -0.34 -0.04 0.97 0.53 2dcuA1 VAL 391 HG23 -0.13 0.02 -0.24 -0.04 0.95 0.55 2dcuA1 ALA 392 H -0.02 0.96 0.42 -0.55 8.40 9.21 2dcuA1 ALA 392 HA 0.06 0.06 0.72 -0.75 4.34 4.43 2dcuA1 ALA 392 HB3 -0.02 -0.02 0.14 -0.04 1.41 1.48 2dcuA1 ILE 393 H 0.06 0.57 0.43 -0.55 8.25 8.76 2dcuA1 ILE 393 HA -0.02 0.22 0.91 -0.75 4.18 4.55 2dcuA1 ILE 393 HB 0.03 -0.03 -0.22 -0.04 1.89 1.62 2dcuA1 ILE 393 HG12 -0.02 0.04 -0.29 -0.04 1.49 1.17 2dcuA1 ILE 393 HG13 0.01 0.08 -0.40 -0.04 1.21 0.85 2dcuA1 ILE 393 HG23 0.01 -0.03 -0.28 -0.04 0.93 0.59 2dcuA1 ILE 393 HD13 -0.04 -0.02 -0.38 -0.04 0.88 0.40 2dcuA1 SER 394 H -0.01 0.62 0.27 -0.55 8.46 8.79 2dcuA1 SER 394 HA 0.09 0.00 1.12 -0.75 4.49 4.95 2dcuA1 SER 394 HB2 -0.04 0.00 0.01 -0.04 3.95 3.88 2dcuA1 SER 394 HB3 0.14 0.02 -0.36 -0.04 3.93 3.69 2dcuA1 ARG 395 H 0.16 0.41 0.30 -0.55 8.46 8.77 2dcuA1 ARG 395 HA 0.34 0.11 0.83 -0.75 4.34 4.87 2dcuA1 ARG 395 HB2 0.10 -0.03 0.01 -0.04 1.90 1.94 2dcuA1 ARG 395 HB3 0.09 0.09 0.04 -0.04 1.80 1.97 2dcuA1 ARG 395 HG2 0.04 -0.08 -0.06 -0.04 1.67 1.52 2dcuA1 ARG 395 HG3 0.09 -0.01 0.06 -0.04 1.67 1.77 2dcuA1 ARG 395 HD2 0.03 0.05 -0.06 -0.04 3.22 3.20 2dcuA1 ARG 395 HD3 0.02 -0.04 -0.03 -0.04 3.22 3.13 2dcuA1 GLN 396 H 0.04 0.10 0.15 -0.55 8.47 8.22 2dcuA1 GLN 396 HA -0.58 0.11 0.54 -0.75 4.36 3.68 2dcuA1 GLN 396 HB2 -1.11 0.03 0.11 -0.04 2.15 1.14 2dcuA1 GLN 396 HB3 -0.35 -0.21 0.19 -0.04 2.02 1.61 2dcuA1 GLN 396 HG2 -0.41 -0.07 -0.32 -0.04 2.40 1.56 2dcuA1 GLN 396 HG3 -0.83 0.48 -0.39 -0.04 2.39 1.60 2dcuA1 GLN 396 HE21 -0.25 -0.09 0.01 -0.04 6.97 6.59 2dcuA1 GLN 396 HE22 -0.28 0.32 0.07 -0.04 7.69 7.76 2dcuA1 ILE 397 H -0.15 0.02 0.04 -0.55 8.25 7.61 2dcuA1 ILE 397 HA -0.07 -0.05 0.33 -0.75 4.18 3.64 2dcuA1 ILE 397 HB -0.04 0.36 0.15 -0.04 1.89 2.32 2dcuA1 ILE 397 HG12 -0.02 -0.02 -0.07 -0.04 1.49 1.34 2dcuA1 ILE 397 HG13 -0.01 -0.09 -0.41 -0.04 1.21 0.66 2dcuA1 ILE 397 HG23 -0.03 -0.05 -0.04 -0.04 0.93 0.77 2dcuA1 ILE 397 HD13 0.01 -0.00 -0.08 -0.04 0.88 0.77 2dcuA1 GLY 398 H -0.11 0.08 0.08 -0.55 8.43 7.93 2dcuA1 GLY 398 HA2 -0.09 0.01 0.32 -0.51 4.01 3.74 2dcuA1 GLY 398 HA3 -0.09 0.02 0.59 -0.51 4.01 4.03 2dcuA1 SER 399 H -0.10 0.05 0.21 -0.55 8.46 8.07 2dcuA1 SER 399 HA -0.16 0.18 0.76 -0.75 4.49 4.52 2dcuA1 SER 399 HB2 -0.06 -0.03 0.07 -0.04 3.95 3.88 2dcuA1 SER 399 HB3 -0.07 0.03 0.06 -0.04 3.93 3.91 2dcuA1 ARG 400 H -0.13 0.00 0.04 -0.55 8.46 7.82 2dcuA1 ARG 400 HA -0.10 0.14 0.65 -0.75 4.34 4.28 2dcuA1 ARG 400 HB2 -0.04 0.06 0.05 -0.04 1.90 1.94 2dcuA1 ARG 400 HB3 0.02 -0.02 0.10 -0.04 1.80 1.86 2dcuA1 ARG 400 HG2 -0.03 -0.10 0.00 -0.04 1.67 1.50 2dcuA1 ARG 400 HG3 0.01 -0.03 0.02 -0.04 1.67 1.63 2dcuA1 ARG 400 HD2 -0.00 0.07 -0.16 -0.04 3.22 3.08 2dcuA1 ARG 400 HD3 0.02 -0.03 -0.02 -0.04 3.22 3.14 2dcuA1 TRP 401 H 0.17 0.10 0.12 -0.55 7.97 7.82 2dcuA1 TRP 401 HA 0.00 0.25 0.85 -0.75 4.62 4.96 2dcuA1 TRP 401 HB2 0.00 -0.09 0.08 -0.04 3.23 3.19 2dcuA1 TRP 401 HB3 0.00 0.01 -0.17 -0.04 3.23 3.03 2dcuA1 TRP 401 HD1 0.00 -0.04 -0.08 -0.04 7.22 7.06 2dcuA1 TRP 401 HE1 0.00 -0.01 -0.09 -0.04 10.20 10.07 2dcuA1 TRP 401 HE3 0.00 0.05 -0.66 -0.04 7.59 6.94 2dcuA1 TRP 401 HZ2 0.00 -0.02 -0.08 -0.04 7.44 7.31 2dcuA1 TRP 401 HZ3 0.00 -0.02 0.11 -0.04 7.13 7.18 2dcuA1 TRP 401 HH2 0.00 0.08 -0.06 -0.04 7.19 7.17 2dcuA1 ARG 402 H 0.18 0.98 0.32 -0.55 8.46 9.39 2dcuA1 ARG 402 HA 0.11 0.03 0.99 -0.75 4.34 4.71 2dcuA1 ARG 402 HB2 0.05 -0.04 -0.06 -0.04 1.90 1.81 2dcuA1 ARG 402 HB3 0.06 0.05 0.02 -0.04 1.80 1.89 2dcuA1 ARG 402 HG2 0.06 0.18 -0.28 -0.04 1.67 1.59 2dcuA1 ARG 402 HG3 0.06 -0.12 0.01 -0.04 1.67 1.59 2dcuA1 ARG 402 HD2 0.03 -0.15 -0.04 -0.04 3.22 3.02 2dcuA1 ARG 402 HD3 0.04 0.02 -0.08 -0.04 3.22 3.16 2dcuA1 LEU 403 H 0.07 0.08 0.14 -0.55 8.37 8.11 2dcuA1 LEU 403 HA 0.07 0.09 0.65 -0.75 4.35 4.41 2dcuA1 LEU 403 HB2 0.03 -0.02 0.07 -0.04 1.64 1.67 2dcuA1 LEU 403 HB3 0.03 -0.06 0.16 -0.04 1.64 1.74 2dcuA1 LEU 403 HG 0.06 -0.02 -0.19 -0.04 1.64 1.44 2dcuA1 LEU 403 HD13 0.04 0.08 -0.00 -0.04 0.93 1.00 2dcuA1 LEU 403 HD23 0.01 -0.01 -0.13 -0.04 0.89 0.72 2dcuA1 ILE 404 H 0.07 0.31 0.46 -0.55 8.25 8.54 2dcuA1 ILE 404 HA 0.06 0.25 1.02 -0.75 4.18 4.75 2dcuA1 ILE 404 HB 0.04 -0.01 0.10 -0.04 1.89 1.98 2dcuA1 ILE 404 HG12 0.07 -0.10 0.12 -0.04 1.49 1.55 2dcuA1 ILE 404 HG13 0.05 0.05 -0.12 -0.04 1.21 1.15 2dcuA1 ILE 404 HG23 0.05 0.04 -0.07 -0.04 0.93 0.92 2dcuA1 ILE 404 HD13 0.05 -0.02 -0.10 -0.04 0.88 0.78 2dcuA1 GLY 405 H 0.07 0.41 0.31 -0.55 8.43 8.68 2dcuA1 GLY 405 HA2 0.15 0.05 0.40 -0.51 4.01 4.10 2dcuA1 GLY 405 HA3 0.06 0.07 0.59 -0.51 4.01 4.22 2dcuA1 TYR 406 H -0.05 0.57 0.31 -0.55 8.29 8.58 2dcuA1 TYR 406 HA -0.00 0.02 0.93 -0.75 4.56 4.75 2dcuA1 TYR 406 HB2 -0.01 0.15 0.04 -0.04 3.06 3.20 2dcuA1 TYR 406 HB3 0.00 -0.05 -0.14 -0.04 2.98 2.74 2dcuA1 TYR 406 HD2 0.02 -0.02 -0.12 -0.04 7.15 6.99 2dcuA1 TYR 406 HE2 -0.01 0.00 -0.07 -0.04 6.85 6.73 2dcuA1 GLY 407 H 0.09 0.80 0.33 -0.55 8.43 9.10 2dcuA1 GLY 407 HA2 -0.14 0.29 0.73 -0.51 4.01 4.38 2dcuA1 GLY 407 HA3 -0.06 -0.07 0.09 -0.51 4.01 3.46 2dcuA1 ILE 408 H -0.04 -0.01 0.13 -0.55 8.25 7.77 2dcuA1 ILE 408 HA 0.04 0.28 0.94 -0.75 4.18 4.68 2dcuA1 ILE 408 HB 0.02 -0.13 0.19 -0.04 1.89 1.94 2dcuA1 ILE 408 HG12 0.19 0.08 -0.13 -0.04 1.49 1.60 2dcuA1 ILE 408 HG13 0.09 0.06 -0.12 -0.04 1.21 1.21 2dcuA1 ILE 408 HG23 0.04 0.06 -0.10 -0.04 0.93 0.89 2dcuA1 ILE 408 HD13 0.16 -0.00 -0.00 -0.04 0.88 0.99 2dcuA1 ILE 409 H -0.07 0.56 0.12 -0.55 8.25 8.31 2dcuA1 ILE 409 HA -0.21 0.09 0.46 -0.75 4.18 3.76 2dcuA1 ILE 409 HB -0.15 -0.28 0.27 -0.04 1.89 1.68 2dcuA1 ILE 409 HG12 -0.43 -0.03 -0.05 -0.04 1.49 0.94 2dcuA1 ILE 409 HG13 -0.20 0.21 0.02 -0.04 1.21 1.20 2dcuA1 ILE 409 HG23 -0.55 0.02 -0.19 -0.04 0.93 0.16 2dcuA1 ILE 409 HD13 -0.44 0.01 -0.16 -0.04 0.88 0.26 2dcuA1 LYS 410 H -0.09 0.35 0.29 -0.55 8.42 8.42 2dcuA1 LYS 410 HA 0.05 0.15 0.83 -0.75 4.32 4.59 2dcuA1 LYS 410 HB2 0.01 -0.06 -0.12 -0.04 1.87 1.66 2dcuA1 LYS 410 HB3 0.04 0.01 0.09 -0.04 1.79 1.89 2dcuA1 LYS 410 HG2 -0.01 0.17 -0.21 -0.04 1.46 1.37 2dcuA1 LYS 410 HG3 -0.00 -0.06 -0.11 -0.04 1.46 1.25 2dcuA1 LYS 410 HD2 0.02 -0.03 0.00 -0.04 1.69 1.64 2dcuA1 LYS 410 HD3 0.03 0.04 0.03 -0.04 1.68 1.74 2dcuA1 LYS 410 HE2 0.02 0.04 -0.12 -0.04 2.99 2.90 2dcuA1 LYS 410 HE3 0.01 -0.03 -0.02 -0.04 2.99 2.90 2dcuA1 GLU 411 H 0.11 0.13 0.15 -0.55 8.60 8.43 2dcuA1 GLU 411 HA 0.37 0.13 0.70 -0.75 4.29 4.74 2dcuA1 GLU 411 HB2 0.12 -0.02 0.11 -0.04 2.09 2.25 2dcuA1 GLU 411 HB3 0.08 0.07 -0.03 -0.04 1.99 2.07 2dcuA1 GLU 411 HG2 0.04 0.02 0.02 -0.04 2.34 2.37 2dcuA1 GLU 411 HG3 0.08 -0.05 0.11 -0.04 2.34 2.44 2dcuA1 LEU 412 H 0.17 0.12 0.05 -0.55 8.37 8.16 2dcuA1 LEU 412 HA 0.08 0.21 0.55 -0.75 4.35 4.44 2dcuA1 LEU 412 HB2 0.16 0.03 0.02 -0.04 1.64 1.81 2dcuA1 LEU 412 HB3 0.07 0.03 0.04 -0.04 1.64 1.74 2dcuA1 LEU 412 HG 0.09 -0.01 -0.14 -0.04 1.64 1.54 2dcuA1 LEU 412 HD13 0.09 -0.00 -0.12 -0.04 0.93 0.86 2dcuA1 LEU 412 HD23 0.04 0.01 -0.03 -0.04 0.89 0.87