============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 1 0.900 61.824 32.551 249.925 -99.200 -91.000 TYR 21 0.840 60.370 29.340 260.788 -99.200 -91.000 PHE 35 1.000 53.973 34.848 262.577 -99.200 -91.000 PHE 41 1.000 55.153 30.257 270.855 -99.200 -91.000 PHE 47 1.000 63.122 19.287 280.218 -99.200 -91.000 HIS 71 0.900 72.934 1.071 290.666 -99.200 -91.000 TYR 72 0.840 66.544 3.996 287.006 -99.200 -91.000 TYR 80 0.840 58.161 7.932 275.405 -99.200 -91.000 HIS 87 0.900 69.027 -0.671 281.015 -99.200 -91.000 PHE 126 1.000 74.053 25.381 281.557 -99.200 -91.000 HIS 128 0.900 70.138 35.037 285.477 -99.200 -91.000 HIS 133 0.900 70.047 37.270 281.937 -99.200 -91.000 TRP 140 1.040 61.112 18.187 289.655 -99.200 -91.000 TRP6 140 1.020 63.212 17.153 289.963 -99.200 -91.000 TRP 185 1.040 74.059 11.777 273.467 -99.200 -91.000 TRP6 185 1.020 74.900 12.960 275.340 -99.200 -91.000 TRP 204 1.040 69.516 18.835 252.280 -99.200 -91.000 TRP6 204 1.020 69.040 21.067 252.884 -99.200 -91.000 PHE 205 1.000 74.287 17.350 261.206 -99.200 -91.000 TYR 237 0.840 59.427 25.898 271.173 -99.200 -91.000 HIS 262 0.900 60.711 28.960 248.331 -99.200 -91.000 TRP 263 1.040 69.718 25.976 252.726 -99.200 -91.000 TRP6 263 1.020 69.099 25.361 254.921 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1htzE1 HIS 26 HA -0.04 0.05 0.26 -0.75 4.63 4.15 1htzE1 HIS 26 HB2 -0.00 0.21 0.07 -0.04 3.26 3.50 1htzE1 HIS 26 HB3 -0.02 -0.09 0.01 -0.04 3.20 3.07 1htzE1 HIS 26 HD2 0.01 0.10 0.09 -0.04 6.97 7.12 1htzE1 HIS 26 HE1 -0.39 0.01 0.01 -0.04 7.75 7.33 1htzE1 PRO 27 HA -0.11 0.03 0.45 -0.51 4.44 4.30 1htzE1 PRO 27 HB2 -0.16 0.03 0.01 -0.04 2.28 2.11 1htzE1 PRO 27 HB3 -0.16 0.05 0.15 -0.04 2.02 2.01 1htzE1 PRO 27 HG2 -0.75 -0.01 0.10 -0.04 2.03 1.33 1htzE1 PRO 27 HG3 -0.36 0.07 0.10 -0.04 2.03 1.80 1htzE1 PRO 27 HD2 -1.01 0.17 0.23 -0.04 3.68 3.03 1htzE1 PRO 27 HD3 -0.30 0.16 0.19 -0.04 3.65 3.67 1htzE1 GLU 28 H 0.20 0.19 -0.28 -0.55 8.60 8.16 1htzE1 GLU 28 HA -0.05 0.05 0.42 -0.75 4.29 3.95 1htzE1 GLU 28 HB2 -0.53 0.08 -0.00 -0.04 2.09 1.59 1htzE1 GLU 28 HB3 -0.13 0.03 0.00 -0.04 1.99 1.85 1htzE1 GLU 28 HG2 0.03 -0.03 0.01 -0.04 2.34 2.30 1htzE1 GLU 28 HG3 -0.24 0.06 -0.00 -0.04 2.34 2.12 1htzE1 THR 29 H 0.03 0.62 -0.29 -0.55 8.28 8.10 1htzE1 THR 29 HA -0.06 0.08 0.52 -0.75 4.39 4.18 1htzE1 THR 29 HB -0.04 0.19 0.04 -0.04 4.32 4.47 1htzE1 THR 29 HG23 -0.21 -0.01 -0.13 -0.04 1.22 0.83 1htzE1 LEU 30 H -0.10 0.36 -0.06 -0.55 8.37 8.02 1htzE1 LEU 30 HA -0.28 0.02 0.36 -0.75 4.35 3.70 1htzE1 LEU 30 HB2 -0.10 0.15 0.18 -0.04 1.64 1.83 1htzE1 LEU 30 HB3 -0.15 -0.04 -0.01 -0.04 1.64 1.40 1htzE1 LEU 30 HG -0.03 0.06 -0.02 -0.04 1.64 1.61 1htzE1 LEU 30 HD13 0.00 -0.01 0.05 -0.04 0.93 0.93 1htzE1 LEU 30 HD23 -0.01 0.01 -0.03 -0.04 0.89 0.81 1htzE1 VAL 31 H -0.11 0.45 -0.30 -0.55 8.24 7.72 1htzE1 VAL 31 HA -0.13 0.00 0.37 -0.75 4.13 3.62 1htzE1 VAL 31 HB -0.07 0.17 0.09 -0.04 2.12 2.27 1htzE1 VAL 31 HG13 -0.05 -0.01 -0.12 -0.04 0.97 0.75 1htzE1 VAL 31 HG23 -0.06 0.04 0.03 -0.04 0.95 0.92 1htzE1 LYS 32 H -0.11 0.34 -0.34 -0.55 8.42 7.75 1htzE1 LYS 32 HA -0.08 -0.00 0.38 -0.75 4.32 3.87 1htzE1 LYS 32 HB2 -0.05 0.04 0.11 -0.04 1.87 1.93 1htzE1 LYS 32 HB3 -0.11 0.12 0.15 -0.04 1.79 1.92 1htzE1 LYS 32 HG2 -0.04 0.11 -0.28 -0.04 1.46 1.21 1htzE1 LYS 32 HG3 -0.08 -0.02 -0.28 -0.04 1.46 1.04 1htzE1 LYS 32 HD2 -0.05 -0.06 0.10 -0.04 1.69 1.64 1htzE1 LYS 32 HD3 -0.03 0.01 -0.06 -0.04 1.68 1.56 1htzE1 LYS 32 HE2 -0.03 -0.03 -0.11 -0.04 2.99 2.78 1htzE1 LYS 32 HE3 -0.04 -0.00 -0.05 -0.04 2.99 2.86 1htzE1 VAL 33 H -0.25 0.56 -0.22 -0.55 8.24 7.79 1htzE1 VAL 33 HA -0.16 0.03 0.40 -0.75 4.13 3.65 1htzE1 VAL 33 HB -0.44 0.12 0.16 -0.04 2.12 1.92 1htzE1 VAL 33 HG13 -0.15 -0.02 -0.19 -0.04 0.97 0.57 1htzE1 VAL 33 HG23 -0.55 0.06 -0.08 -0.04 0.95 0.33 1htzE1 LYS 34 H -0.32 0.63 -0.02 -0.55 8.42 8.16 1htzE1 LYS 34 HA -0.19 -0.02 0.42 -0.75 4.32 3.77 1htzE1 LYS 34 HB2 -0.17 0.13 0.15 -0.04 1.87 1.94 1htzE1 LYS 34 HB3 -0.11 -0.06 0.06 -0.04 1.79 1.64 1htzE1 LYS 34 HG2 -0.58 -0.06 0.07 -0.04 1.46 0.84 1htzE1 LYS 34 HG3 -0.59 0.20 0.12 -0.04 1.46 1.15 1htzE1 LYS 34 HD2 -0.15 0.00 -0.03 -0.04 1.69 1.47 1htzE1 LYS 34 HD3 -0.08 -0.03 0.01 -0.04 1.68 1.54 1htzE1 LYS 34 HE2 -0.03 -0.04 0.02 -0.04 2.99 2.91 1htzE1 LYS 34 HE3 -0.29 0.02 -0.02 -0.04 2.99 2.66 1htzE1 ASP 35 H -0.11 0.51 -0.34 -0.55 8.40 7.92 1htzE1 ASP 35 HA -0.04 -0.01 0.46 -0.75 4.63 4.29 1htzE1 ASP 35 HB2 -0.05 0.03 0.08 -0.04 2.71 2.73 1htzE1 ASP 35 HB3 -0.05 0.16 0.11 -0.04 2.70 2.87 1htzE1 ALA 36 H -0.07 0.47 -0.32 -0.55 8.40 7.93 1htzE1 ALA 36 HA -0.01 -0.02 0.45 -0.75 4.34 4.00 1htzE1 ALA 36 HB3 -0.02 0.05 0.09 -0.04 1.41 1.48 1htzE1 GLU 37 H -0.01 0.45 -0.12 -0.55 8.60 8.38 1htzE1 GLU 37 HA 0.06 0.07 0.41 -0.75 4.29 4.08 1htzE1 GLU 37 HB2 0.04 0.15 0.19 -0.04 2.09 2.44 1htzE1 GLU 37 HB3 0.09 -0.01 0.10 -0.04 1.99 2.13 1htzE1 GLU 37 HG2 0.15 -0.03 0.07 -0.04 2.34 2.48 1htzE1 GLU 37 HG3 0.07 0.11 0.05 -0.04 2.34 2.53 1htzE1 ASP 38 H 0.00 0.38 -0.26 -0.55 8.40 7.97 1htzE1 ASP 38 HA 0.02 0.02 0.42 -0.75 4.63 4.33 1htzE1 ASP 38 HB2 -0.00 0.12 0.15 -0.04 2.71 2.94 1htzE1 ASP 38 HB3 0.01 -0.05 0.03 -0.04 2.70 2.64 1htzE1 GLN 39 H 0.00 0.50 -0.06 -0.55 8.47 8.37 1htzE1 GLN 39 HA 0.01 0.00 0.39 -0.75 4.36 4.01 1htzE1 GLN 39 HB2 0.00 0.07 0.11 -0.04 2.15 2.29 1htzE1 GLN 39 HB3 0.00 -0.08 0.02 -0.04 2.02 1.92 1htzE1 GLN 39 HG2 -0.01 0.38 0.14 -0.04 2.40 2.87 1htzE1 GLN 39 HG3 -0.01 -0.06 -0.01 -0.04 2.39 2.27 1htzE1 GLN 39 HE21 -0.00 -0.04 -0.04 -0.04 6.97 6.84 1htzE1 GLN 39 HE22 -0.01 0.05 0.00 -0.04 7.69 7.69 1htzE1 LEU 40 H 0.02 0.58 -0.24 -0.55 8.37 8.19 1htzE1 LEU 40 HA 0.02 -0.00 0.55 -0.75 4.35 4.16 1htzE1 LEU 40 HB2 0.04 0.22 0.05 -0.04 1.64 1.91 1htzE1 LEU 40 HB3 0.04 -0.06 -0.24 -0.04 1.64 1.34 1htzE1 LEU 40 HG 0.03 -0.06 -0.09 -0.04 1.64 1.48 1htzE1 LEU 40 HD13 0.01 -0.00 -0.16 -0.04 0.93 0.74 1htzE1 LEU 40 HD23 0.03 0.01 -0.14 -0.04 0.89 0.75 1htzE1 GLY 41 H 0.03 0.65 -0.04 -0.55 8.43 8.52 1htzE1 GLY 41 HA2 0.03 0.00 0.36 -0.51 4.01 3.89 1htzE1 GLY 41 HA3 0.03 -0.01 0.57 -0.51 4.01 4.08 1htzE1 ALA 42 H 0.06 0.40 0.17 -0.55 8.40 8.48 1htzE1 ALA 42 HA 0.06 0.14 0.54 -0.75 4.34 4.32 1htzE1 ALA 42 HB3 0.08 0.02 -0.25 -0.04 1.41 1.22 1htzE1 ARG 43 H 0.12 0.14 0.18 -0.55 8.46 8.35 1htzE1 ARG 43 HA 0.18 0.14 0.76 -0.75 4.34 4.66 1htzE1 ARG 43 HB2 0.12 -0.01 0.14 -0.04 1.90 2.11 1htzE1 ARG 43 HB3 0.21 0.04 -0.01 -0.04 1.80 2.00 1htzE1 ARG 43 HG2 0.10 0.03 0.02 -0.04 1.67 1.77 1htzE1 ARG 43 HG3 0.06 0.01 -0.02 -0.04 1.67 1.67 1htzE1 ARG 43 HD2 -0.01 -0.01 -0.00 -0.04 3.22 3.16 1htzE1 ARG 43 HD3 0.00 -0.00 -0.00 -0.04 3.22 3.18 1htzE1 VAL 44 H 0.32 0.18 0.16 -0.55 8.24 8.35 1htzE1 VAL 44 HA 0.16 0.39 1.22 -0.75 4.13 5.14 1htzE1 VAL 44 HB 0.19 -0.06 0.04 -0.04 2.12 2.24 1htzE1 VAL 44 HG13 0.09 0.01 -0.20 -0.04 0.97 0.82 1htzE1 VAL 44 HG23 0.09 0.00 -0.28 -0.04 0.95 0.72 1htzE1 GLY 45 H -0.34 0.71 0.36 -0.55 8.43 8.61 1htzE1 GLY 45 HA2 0.16 0.26 0.86 -0.51 4.01 4.78 1htzE1 GLY 45 HA3 -0.41 -0.02 0.33 -0.51 4.01 3.41 1htzE1 TYR 46 H 0.22 0.57 0.32 -0.55 8.29 8.84 1htzE1 TYR 46 HA -0.01 0.44 0.97 -0.75 4.56 5.20 1htzE1 TYR 46 HB2 0.05 0.05 -0.30 -0.04 3.06 2.83 1htzE1 TYR 46 HB3 0.14 -0.09 -0.07 -0.04 2.98 2.92 1htzE1 TYR 46 HD2 0.02 -0.05 -0.27 -0.04 7.15 6.81 1htzE1 TYR 46 HE2 0.01 -0.00 -0.22 -0.04 6.85 6.60 1htzE1 ILE 47 H -0.72 0.42 0.28 -0.55 8.25 7.68 1htzE1 ILE 47 HA -0.10 0.24 0.67 -0.75 4.18 4.24 1htzE1 ILE 47 HB -0.02 -0.01 -0.18 -0.04 1.89 1.64 1htzE1 ILE 47 HG12 -0.06 0.04 -0.17 -0.04 1.49 1.26 1htzE1 ILE 47 HG13 -0.01 0.13 0.24 -0.04 1.21 1.53 1htzE1 ILE 47 HG23 -0.09 0.02 -0.18 -0.04 0.93 0.63 1htzE1 ILE 47 HD13 0.00 -0.03 -0.06 -0.04 0.88 0.76 1htzE1 GLU 48 H -0.09 0.61 0.38 -0.55 8.60 8.96 1htzE1 GLU 48 HA -0.15 0.38 1.12 -0.75 4.29 4.89 1htzE1 GLU 48 HB2 -0.03 -0.16 0.15 -0.04 2.09 2.01 1htzE1 GLU 48 HB3 -0.08 0.08 0.02 -0.04 1.99 1.97 1htzE1 GLU 48 HG2 -0.06 0.04 -0.09 -0.04 2.34 2.19 1htzE1 GLU 48 HG3 0.04 -0.11 -0.21 -0.04 2.34 2.02 1htzE1 LEU 49 H -0.05 0.73 0.38 -0.55 8.37 8.88 1htzE1 LEU 49 HA -0.03 0.23 0.98 -0.75 4.35 4.77 1htzE1 LEU 49 HB2 -0.03 -0.05 -0.05 -0.04 1.64 1.48 1htzE1 LEU 49 HB3 -0.01 0.02 -0.17 -0.04 1.64 1.44 1htzE1 LEU 49 HG -0.01 0.22 -0.15 -0.04 1.64 1.65 1htzE1 LEU 49 HD13 -0.02 -0.02 -0.12 -0.04 0.93 0.73 1htzE1 LEU 49 HD23 -0.01 -0.03 -0.21 -0.04 0.89 0.61 1htzE1 ASP 50 H -0.02 0.61 0.12 -0.55 8.40 8.56 1htzE1 ASP 50 HA -0.02 0.21 0.70 -0.75 4.63 4.76 1htzE1 ASP 50 HB2 -0.03 0.14 0.14 -0.04 2.71 2.92 1htzE1 ASP 50 HB3 -0.02 -0.27 0.21 -0.04 2.70 2.57 1htzE1 LEU 51 H 0.02 0.59 0.14 -0.55 8.37 8.57 1htzE1 LEU 51 HA 0.01 0.06 0.22 -0.75 4.35 3.89 1htzE1 LEU 51 HB2 0.04 -0.08 -0.40 -0.04 1.64 1.16 1htzE1 LEU 51 HB3 0.02 0.02 -0.06 -0.04 1.64 1.57 1htzE1 LEU 51 HG -0.00 0.04 -0.28 -0.04 1.64 1.36 1htzE1 LEU 51 HD13 0.02 -0.00 -0.11 -0.04 0.93 0.80 1htzE1 LEU 51 HD23 -0.02 0.02 -0.23 -0.04 0.89 0.63 1htzE1 ASN 52 H 0.00 0.04 -0.10 -0.55 8.53 7.93 1htzE1 ASN 52 HA -0.01 0.23 0.56 -0.75 4.76 4.78 1htzE1 ASN 52 HB2 -0.01 -0.09 0.10 -0.04 2.88 2.85 1htzE1 ASN 52 HB3 -0.01 0.04 -0.01 -0.04 2.79 2.77 1htzE1 ASN 52 HD21 -0.01 0.08 0.04 -0.04 7.03 7.09 1htzE1 ASN 52 HD22 -0.00 -0.03 0.06 -0.04 7.74 7.72 1htzE1 SER 53 H -0.01 -0.02 -0.04 -0.55 8.46 7.85 1htzE1 SER 53 HA -0.01 0.20 0.60 -0.75 4.49 4.53 1htzE1 SER 53 HB2 -0.01 0.04 0.08 -0.04 3.95 4.02 1htzE1 SER 53 HB3 -0.01 0.03 0.09 -0.04 3.93 4.00 1htzE1 GLY 54 H -0.01 0.26 -0.15 -0.55 8.43 7.98 1htzE1 GLY 54 HA2 -0.01 0.13 0.24 -0.51 4.01 3.87 1htzE1 GLY 54 HA3 -0.01 0.15 0.58 -0.51 4.01 4.22 1htzE1 LYS 55 H -0.01 -0.07 -0.31 -0.55 8.42 7.47 1htzE1 LYS 55 HA -0.01 0.06 0.38 -0.75 4.32 3.99 1htzE1 LYS 55 HB2 -0.01 0.03 0.04 -0.04 1.87 1.89 1htzE1 LYS 55 HB3 -0.02 -0.09 0.06 -0.04 1.79 1.70 1htzE1 LYS 55 HG2 -0.02 0.17 -0.39 -0.04 1.46 1.18 1htzE1 LYS 55 HG3 -0.01 -0.02 0.02 -0.04 1.46 1.41 1htzE1 LYS 55 HD2 -0.01 -0.02 -0.01 -0.04 1.69 1.60 1htzE1 LYS 55 HD3 -0.02 -0.05 -0.06 -0.04 1.68 1.51 1htzE1 LYS 55 HE2 -0.02 0.13 -0.05 -0.04 2.99 3.01 1htzE1 LYS 55 HE3 -0.01 -0.02 -0.00 -0.04 2.99 2.92 1htzE1 ILE 56 H -0.01 0.10 0.20 -0.55 8.25 7.99 1htzE1 ILE 56 HA -0.02 0.17 0.75 -0.75 4.18 4.33 1htzE1 ILE 56 HB 0.00 -0.03 0.16 -0.04 1.89 1.98 1htzE1 ILE 56 HG12 -0.00 0.04 0.04 -0.04 1.49 1.52 1htzE1 ILE 56 HG13 -0.00 0.03 0.12 -0.04 1.21 1.31 1htzE1 ILE 56 HG23 0.01 -0.01 -0.12 -0.04 0.93 0.77 1htzE1 ILE 56 HD13 0.01 -0.02 0.01 -0.04 0.88 0.84 1htzE1 LEU 57 H -0.03 0.68 0.40 -0.55 8.37 8.88 1htzE1 LEU 57 HA -0.02 0.13 0.79 -0.75 4.35 4.49 1htzE1 LEU 57 HB2 -0.06 -0.01 -0.01 -0.04 1.64 1.52 1htzE1 LEU 57 HB3 -0.07 0.04 0.05 -0.04 1.64 1.62 1htzE1 LEU 57 HG -0.06 0.03 -0.13 -0.04 1.64 1.44 1htzE1 LEU 57 HD13 -0.15 0.00 -0.10 -0.04 0.93 0.64 1htzE1 LEU 57 HD23 -0.05 -0.00 -0.12 -0.04 0.89 0.68 1htzE1 GLU 58 H 0.01 0.26 0.26 -0.55 8.60 8.58 1htzE1 GLU 58 HA 0.06 0.09 0.48 -0.75 4.29 4.17 1htzE1 GLU 58 HB2 0.08 0.27 -0.30 -0.04 2.09 2.09 1htzE1 GLU 58 HB3 0.22 -0.11 -0.10 -0.04 1.99 1.96 1htzE1 GLU 58 HG2 0.12 0.07 -0.10 -0.04 2.34 2.40 1htzE1 GLU 58 HG3 0.19 -0.08 -0.10 -0.04 2.34 2.32 1htzE1 SER 59 H 0.14 0.29 0.18 -0.55 8.46 8.53 1htzE1 SER 59 HA 0.21 0.23 0.54 -0.75 4.49 4.72 1htzE1 SER 59 HB2 0.09 -0.05 0.15 -0.04 3.95 4.10 1htzE1 SER 59 HB3 0.06 0.08 -0.03 -0.04 3.93 4.00 1htzE1 PHE 60 H 0.25 0.64 0.27 -0.55 8.34 8.95 1htzE1 PHE 60 HA 0.07 0.04 0.66 -0.75 4.62 4.64 1htzE1 PHE 60 HB2 0.07 0.05 -0.15 -0.04 3.15 3.09 1htzE1 PHE 60 HB3 0.13 0.00 0.09 -0.04 3.06 3.24 1htzE1 PHE 60 HD2 0.06 0.16 0.09 -0.04 7.28 7.55 1htzE1 PHE 60 HE2 0.04 -0.03 0.05 -0.04 7.38 7.40 1htzE1 PHE 60 HZ 0.03 -0.01 0.03 -0.04 7.32 7.34 1htzE1 ARG 61 H -0.30 0.14 0.18 -0.55 8.46 7.92 1htzE1 ARG 61 HA -0.14 0.00 0.37 -0.75 4.34 3.83 1htzE1 ARG 61 HB2 0.08 0.26 0.13 -0.04 1.90 2.33 1htzE1 ARG 61 HB3 0.10 -0.06 0.21 -0.04 1.80 2.00 1htzE1 ARG 61 HG2 -0.35 -0.02 0.06 -0.04 1.67 1.31 1htzE1 ARG 61 HG3 -1.16 -0.02 -0.10 -0.04 1.67 0.34 1htzE1 ARG 61 HD2 0.20 0.19 -0.17 -0.04 3.22 3.40 1htzE1 ARG 61 HD3 0.05 -0.03 -0.05 -0.04 3.22 3.15 1htzE1 PRO 62 HA 0.09 0.09 0.42 -0.51 4.44 4.53 1htzE1 PRO 62 HB2 0.04 0.02 -0.02 -0.04 2.28 2.28 1htzE1 PRO 62 HB3 0.05 0.09 0.09 -0.04 2.02 2.21 1htzE1 PRO 62 HG2 0.02 -0.00 0.05 -0.04 2.03 2.05 1htzE1 PRO 62 HG3 0.03 0.11 0.01 -0.04 2.03 2.14 1htzE1 PRO 62 HD2 -0.02 0.04 0.15 -0.04 3.68 3.81 1htzE1 PRO 62 HD3 0.05 0.07 -0.11 -0.04 3.65 3.62 1htzE1 GLU 63 H 0.02 0.08 -0.23 -0.55 8.60 7.93 1htzE1 GLU 63 HA 0.04 0.09 0.61 -0.75 4.29 4.28 1htzE1 GLU 63 HB2 -0.00 0.01 -0.04 -0.04 2.09 2.02 1htzE1 GLU 63 HB3 0.01 0.04 0.09 -0.04 1.99 2.09 1htzE1 GLU 63 HG2 0.01 -0.07 -0.01 -0.04 2.34 2.23 1htzE1 GLU 63 HG3 0.00 0.05 -0.02 -0.04 2.34 2.34 1htzE1 GLU 64 H 0.09 0.27 -0.34 -0.55 8.60 8.08 1htzE1 GLU 64 HA -0.06 0.09 0.63 -0.75 4.29 4.20 1htzE1 GLU 64 HB2 0.11 0.12 0.10 -0.04 2.09 2.38 1htzE1 GLU 64 HB3 -0.32 0.10 -0.03 -0.04 1.99 1.70 1htzE1 GLU 64 HG2 -0.09 0.03 0.01 -0.04 2.34 2.24 1htzE1 GLU 64 HG3 -0.05 -0.14 -0.03 -0.04 2.34 2.07 1htzE1 ARG 65 H -0.18 0.08 0.14 -0.55 8.46 7.94 1htzE1 ARG 65 HA 0.01 0.39 0.80 -0.75 4.34 4.79 1htzE1 ARG 65 HB2 -0.13 -0.06 0.05 -0.04 1.90 1.72 1htzE1 ARG 65 HB3 -0.09 0.02 -0.11 -0.04 1.80 1.58 1htzE1 ARG 65 HG2 -0.02 0.02 -0.22 -0.04 1.67 1.41 1htzE1 ARG 65 HG3 -0.04 -0.01 -0.09 -0.04 1.67 1.48 1htzE1 ARG 65 HD2 -0.05 -0.03 -0.06 -0.04 3.22 3.03 1htzE1 ARG 65 HD3 -0.04 0.03 -0.10 -0.04 3.22 3.06 1htzE1 PHE 66 H 0.05 0.50 0.31 -0.55 8.34 8.64 1htzE1 PHE 66 HA -0.07 0.16 0.64 -0.75 4.62 4.60 1htzE1 PHE 66 HB2 -0.46 -0.07 -0.15 -0.04 3.15 2.43 1htzE1 PHE 66 HB3 -0.12 0.10 -0.06 -0.04 3.06 2.94 1htzE1 PHE 66 HD2 0.02 0.07 -0.33 -0.04 7.28 7.00 1htzE1 PHE 66 HE2 0.06 0.06 -0.29 -0.04 7.38 7.18 1htzE1 PHE 66 HZ 0.06 -0.02 -0.33 -0.04 7.32 6.98 1htzE1 PRO 67 HA -0.05 0.27 0.70 -0.51 4.44 4.85 1htzE1 PRO 67 HB2 0.01 -0.05 0.01 -0.04 2.28 2.21 1htzE1 PRO 67 HB3 -0.01 0.06 0.06 -0.04 2.02 2.09 1htzE1 PRO 67 HG2 0.06 -0.01 0.04 -0.04 2.03 2.09 1htzE1 PRO 67 HG3 0.04 0.05 0.03 -0.04 2.03 2.10 1htzE1 PRO 67 HD2 0.13 0.13 0.17 -0.04 3.68 4.07 1htzE1 PRO 67 HD3 0.00 0.16 0.05 -0.04 3.65 3.81 1htzE1 MET 68 H -0.05 0.52 0.30 -0.55 8.47 8.69 1htzE1 MET 68 HA -0.10 0.07 0.29 -0.75 4.52 4.03 1htzE1 MET 68 HB2 0.06 0.04 0.02 -0.04 2.15 2.24 1htzE1 MET 68 HB3 0.18 -0.11 -0.19 -0.04 2.03 1.87 1htzE1 MET 68 HG2 0.01 -0.03 -0.20 -0.04 2.63 2.37 1htzE1 MET 68 HG3 -0.04 0.03 -0.26 -0.04 2.56 2.25 1htzE1 MET 68 HE3 -0.01 0.00 -0.24 -0.04 2.10 1.81 1htzE1 MET 69 H 0.05 0.17 -0.09 -0.55 8.47 8.05 1htzE1 MET 69 HA 0.10 0.08 0.21 -0.75 4.52 4.16 1htzE1 MET 69 HB2 0.15 0.21 -0.11 -0.04 2.15 2.36 1htzE1 MET 69 HB3 0.10 -0.13 0.16 -0.04 2.03 2.12 1htzE1 MET 69 HG2 0.07 0.04 -0.21 -0.04 2.63 2.48 1htzE1 MET 69 HG3 0.08 0.06 -0.59 -0.04 2.56 2.07 1htzE1 MET 69 HE3 0.20 0.06 -0.42 -0.04 2.10 1.89 1htzE1 SER 70 H 0.13 0.10 0.24 -0.55 8.46 8.39 1htzE1 SER 70 HA 0.22 -0.01 0.33 -0.75 4.49 4.28 1htzE1 SER 70 HB2 0.06 0.04 0.38 -0.04 3.95 4.40 1htzE1 SER 70 HB3 0.02 0.09 0.19 -0.04 3.93 4.19 1htzE1 THR 71 H 0.17 0.38 -0.59 -0.55 8.28 7.69 1htzE1 THR 71 HA 0.04 0.09 0.19 -0.75 4.39 3.96 1htzE1 THR 71 HB 0.13 -0.05 -0.03 -0.04 4.32 4.33 1htzE1 THR 71 HG23 0.11 0.03 -0.26 -0.04 1.22 1.06 1htzE1 PHE 72 H 0.33 0.47 -0.53 -0.55 8.34 8.06 1htzE1 PHE 72 HA 0.05 0.07 0.37 -0.75 4.62 4.36 1htzE1 PHE 72 HB2 0.01 -0.03 -0.04 -0.04 3.15 3.05 1htzE1 PHE 72 HB3 0.02 0.09 -0.04 -0.04 3.06 3.08 1htzE1 PHE 72 HD2 -0.01 0.20 -0.16 -0.04 7.28 7.27 1htzE1 PHE 72 HE2 -0.04 -0.01 -0.15 -0.04 7.38 7.14 1htzE1 PHE 72 HZ -0.03 -0.05 -0.12 -0.04 7.32 7.08 1htzE1 LYS 73 H -0.62 0.51 -0.30 -0.55 8.42 7.46 1htzE1 LYS 73 HA -0.82 -0.05 0.29 -0.75 4.32 2.99 1htzE1 LYS 73 HB2 -0.28 0.24 0.05 -0.04 1.87 1.84 1htzE1 LYS 73 HB3 -0.32 -0.07 -0.12 -0.04 1.79 1.24 1htzE1 LYS 73 HG2 -0.64 -0.12 -0.00 -0.04 1.46 0.66 1htzE1 LYS 73 HG3 -0.95 -0.06 0.05 -0.04 1.46 0.45 1htzE1 LYS 73 HD2 -0.12 0.13 0.11 -0.04 1.69 1.77 1htzE1 LYS 73 HD3 -0.15 0.05 0.01 -0.04 1.68 1.55 1htzE1 LYS 73 HE2 0.01 -0.10 -0.05 -0.04 2.99 2.81 1htzE1 LYS 73 HE3 0.09 -0.09 -0.00 -0.04 2.99 2.94 1htzE1 VAL 74 H -0.11 0.34 -0.49 -0.55 8.24 7.43 1htzE1 VAL 74 HA -0.02 0.07 0.38 -0.75 4.13 3.80 1htzE1 VAL 74 HB 0.03 0.12 0.01 -0.04 2.12 2.24 1htzE1 VAL 74 HG13 0.07 0.00 -0.23 -0.04 0.97 0.78 1htzE1 VAL 74 HG23 0.02 0.01 -0.07 -0.04 0.95 0.87 1htzE1 LEU 75 H 0.02 0.29 -0.20 -0.55 8.37 7.93 1htzE1 LEU 75 HA 0.12 0.09 0.40 -0.75 4.35 4.21 1htzE1 LEU 75 HB2 0.15 0.10 0.04 -0.04 1.64 1.88 1htzE1 LEU 75 HB3 0.17 -0.00 -0.04 -0.04 1.64 1.73 1htzE1 LEU 75 HG 0.11 0.06 0.03 -0.04 1.64 1.79 1htzE1 LEU 75 HD13 0.12 -0.02 -0.09 -0.04 0.93 0.90 1htzE1 LEU 75 HD23 0.10 0.00 -0.14 -0.04 0.89 0.81 1htzE1 LEU 76 H -0.05 0.46 -0.22 -0.55 8.37 8.01 1htzE1 LEU 76 HA -0.01 0.05 0.33 -0.75 4.35 3.96 1htzE1 LEU 76 HB2 0.00 -0.01 -0.04 -0.04 1.64 1.55 1htzE1 LEU 76 HB3 -0.20 0.15 0.09 -0.04 1.64 1.64 1htzE1 LEU 76 HG -0.09 -0.01 -0.32 -0.04 1.64 1.18 1htzE1 LEU 76 HD13 -0.02 -0.01 -0.20 -0.04 0.93 0.67 1htzE1 LEU 76 HD23 -0.03 0.00 -0.05 -0.04 0.89 0.77 1htzE1 CYS 77 H -0.08 0.57 -0.15 -0.55 8.50 8.29 1htzE1 CYS 77 HA -0.05 -0.02 0.41 -0.75 4.58 4.16 1htzE1 CYS 77 HB2 -0.02 0.16 0.08 -0.04 2.97 3.15 1htzE1 CYS 77 HB3 0.10 -0.03 0.02 -0.04 2.97 3.02 1htzE1 GLY 78 H 0.03 0.32 -0.61 -0.55 8.43 7.63 1htzE1 GLY 78 HA2 0.09 0.02 0.40 -0.51 4.01 4.01 1htzE1 GLY 78 HA3 0.12 0.12 0.26 -0.51 4.01 3.99 1htzE1 ALA 79 H -0.19 0.46 -0.25 -0.55 8.40 7.88 1htzE1 ALA 79 HA -1.54 0.06 0.38 -0.75 4.34 2.49 1htzE1 ALA 79 HB3 -0.58 0.04 0.05 -0.04 1.41 0.88 1htzE1 VAL 80 H -0.14 0.42 -0.17 -0.55 8.24 7.80 1htzE1 VAL 80 HA -0.09 0.07 0.40 -0.75 4.13 3.76 1htzE1 VAL 80 HB -0.02 0.05 0.12 -0.04 2.12 2.24 1htzE1 VAL 80 HG13 0.01 -0.02 -0.20 -0.04 0.97 0.72 1htzE1 VAL 80 HG23 -0.06 0.04 -0.06 -0.04 0.95 0.83 1htzE1 LEU 81 H 0.01 0.76 -0.16 -0.55 8.37 8.44 1htzE1 LEU 81 HA 0.05 -0.07 0.37 -0.75 4.35 3.94 1htzE1 LEU 81 HB2 0.06 0.21 0.11 -0.04 1.64 1.98 1htzE1 LEU 81 HB3 0.04 -0.13 0.01 -0.04 1.64 1.52 1htzE1 LEU 81 HG 0.24 0.10 0.05 -0.04 1.64 1.99 1htzE1 LEU 81 HD13 0.15 0.01 -0.08 -0.04 0.93 0.98 1htzE1 LEU 81 HD23 0.08 -0.05 -0.01 -0.04 0.89 0.87 1htzE1 SER 82 H -0.09 0.41 -0.46 -0.55 8.46 7.77 1htzE1 SER 82 HA 0.04 0.03 0.43 -0.75 4.49 4.23 1htzE1 SER 82 HB2 0.08 0.08 0.07 -0.04 3.95 4.14 1htzE1 SER 82 HB3 -0.21 0.16 0.11 -0.04 3.93 3.95 1htzE1 ARG 83 H -0.07 0.43 -0.26 -0.55 8.46 8.01 1htzE1 ARG 83 HA 0.00 0.09 0.44 -0.75 4.34 4.12 1htzE1 ARG 83 HB2 -0.03 0.10 0.05 -0.04 1.90 1.98 1htzE1 ARG 83 HB3 -0.01 -0.04 -0.14 -0.04 1.80 1.57 1htzE1 ARG 83 HG2 -0.03 -0.02 -0.01 -0.04 1.67 1.57 1htzE1 ARG 83 HG3 -0.11 0.26 0.09 -0.04 1.67 1.86 1htzE1 ARG 83 HD2 -0.09 -0.02 -0.11 -0.04 3.22 2.96 1htzE1 ARG 83 HD3 -0.04 -0.06 -0.07 -0.04 3.22 3.00 1htzE1 VAL 84 H 0.00 0.46 -0.21 -0.55 8.24 7.94 1htzE1 VAL 84 HA 0.01 0.21 0.49 -0.75 4.13 4.09 1htzE1 VAL 84 HB 0.02 0.18 0.16 -0.04 2.12 2.44 1htzE1 VAL 84 HG13 0.02 -0.02 -0.06 -0.04 0.97 0.87 1htzE1 VAL 84 HG23 0.03 0.03 -0.22 -0.04 0.95 0.75 1htzE1 ASP 85 H 0.01 0.52 -0.21 -0.55 8.40 8.18 1htzE1 ASP 85 HA 0.01 -0.05 0.41 -0.75 4.63 4.25 1htzE1 ASP 85 HB2 0.03 0.26 0.21 -0.04 2.71 3.17 1htzE1 ASP 85 HB3 0.02 -0.01 0.07 -0.04 2.70 2.74 1htzE1 ALA 86 H 0.02 0.27 -0.41 -0.55 8.40 7.73 1htzE1 ALA 86 HA 0.02 0.10 0.65 -0.75 4.34 4.36 1htzE1 ALA 86 HB3 0.03 -0.01 0.12 -0.04 1.41 1.51 1htzE1 GLY 87 H 0.01 0.40 -0.44 -0.55 8.43 7.85 1htzE1 GLY 87 HA2 0.01 -0.00 0.35 -0.51 4.01 3.87 1htzE1 GLY 87 HA3 0.01 0.03 0.47 -0.51 4.01 4.01 1htzE1 GLN 88 H 0.01 0.71 0.03 -0.55 8.47 8.67 1htzE1 GLN 88 HA 0.01 0.19 0.91 -0.75 4.36 4.72 1htzE1 GLN 88 HB2 0.01 -0.04 0.01 -0.04 2.15 2.09 1htzE1 GLN 88 HB3 0.01 -0.04 0.13 -0.04 2.02 2.08 1htzE1 GLN 88 HG2 0.02 0.04 -0.16 -0.04 2.40 2.26 1htzE1 GLN 88 HG3 0.02 0.10 -0.38 -0.04 2.39 2.09 1htzE1 GLN 88 HE21 0.03 -0.04 -0.01 -0.04 6.97 6.91 1htzE1 GLN 88 HE22 0.02 0.01 -0.02 -0.04 7.69 7.66 1htzE1 GLU 89 H 0.01 0.29 -0.03 -0.55 8.60 8.32 1htzE1 GLU 89 HA 0.02 0.12 0.49 -0.75 4.29 4.16 1htzE1 GLU 89 HB2 0.00 0.18 -0.30 -0.04 2.09 1.93 1htzE1 GLU 89 HB3 0.01 -0.07 -0.29 -0.04 1.99 1.60 1htzE1 GLU 89 HG2 0.01 0.01 -0.10 -0.04 2.34 2.21 1htzE1 GLU 89 HG3 0.02 -0.10 -0.24 -0.04 2.34 1.99 1htzE1 GLN 90 H 0.02 0.25 0.11 -0.55 8.47 8.31 1htzE1 GLN 90 HA 0.02 0.23 0.93 -0.75 4.36 4.79 1htzE1 GLN 90 HB2 0.02 -0.03 0.12 -0.04 2.15 2.22 1htzE1 GLN 90 HB3 0.02 -0.09 0.05 -0.04 2.02 1.95 1htzE1 GLN 90 HG2 0.02 0.10 -0.06 -0.04 2.40 2.41 1htzE1 GLN 90 HG3 0.02 0.00 -0.41 -0.04 2.39 1.96 1htzE1 GLN 90 HE21 0.02 0.02 -0.05 -0.04 6.97 6.92 1htzE1 GLN 90 HE22 0.02 0.05 -0.11 -0.04 7.69 7.60 1htzE1 LEU 91 H 0.04 0.27 0.13 -0.55 8.37 8.26 1htzE1 LEU 91 HA 0.07 0.07 0.35 -0.75 4.35 4.08 1htzE1 LEU 91 HB2 0.05 0.04 0.08 -0.04 1.64 1.77 1htzE1 LEU 91 HB3 0.11 -0.03 0.04 -0.04 1.64 1.72 1htzE1 LEU 91 HG 0.06 0.02 0.02 -0.04 1.64 1.71 1htzE1 LEU 91 HD13 0.04 0.02 -0.02 -0.04 0.93 0.93 1htzE1 LEU 91 HD23 0.21 0.01 -0.10 -0.04 0.89 0.96 1htzE1 GLY 92 H 0.03 0.05 -0.35 -0.55 8.43 7.61 1htzE1 GLY 92 HA2 0.02 0.08 0.51 -0.51 4.01 4.12 1htzE1 GLY 92 HA3 0.02 0.06 0.23 -0.51 4.01 3.81 1htzE1 ARG 93 H 0.02 0.33 -0.22 -0.55 8.46 8.05 1htzE1 ARG 93 HA 0.02 0.04 0.41 -0.75 4.34 4.06 1htzE1 ARG 93 HB2 0.02 -0.05 0.15 -0.04 1.90 1.98 1htzE1 ARG 93 HB3 0.02 -0.00 0.14 -0.04 1.80 1.92 1htzE1 ARG 93 HG2 0.03 0.04 -0.27 -0.04 1.67 1.43 1htzE1 ARG 93 HG3 0.03 0.01 0.04 -0.04 1.67 1.71 1htzE1 ARG 93 HD2 0.03 0.04 -0.01 -0.04 3.22 3.25 1htzE1 ARG 93 HD3 0.03 -0.03 0.02 -0.04 3.22 3.19 1htzE1 ARG 94 H 0.03 0.13 0.22 -0.55 8.46 8.29 1htzE1 ARG 94 HA -0.02 0.09 0.65 -0.75 4.34 4.30 1htzE1 ARG 94 HB2 -0.01 0.02 0.01 -0.04 1.90 1.88 1htzE1 ARG 94 HB3 0.04 -0.03 0.12 -0.04 1.80 1.90 1htzE1 ARG 94 HG2 -0.21 -0.01 -0.30 -0.04 1.67 1.11 1htzE1 ARG 94 HG3 -0.16 -0.08 -0.20 -0.04 1.67 1.19 1htzE1 ARG 94 HD2 0.05 -0.06 -0.04 -0.04 3.22 3.13 1htzE1 ARG 94 HD3 -0.09 0.32 -0.02 -0.04 3.22 3.39 1htzE1 ILE 95 H -0.04 0.82 0.34 -0.55 8.25 8.82 1htzE1 ILE 95 HA 0.08 0.16 1.00 -0.75 4.18 4.67 1htzE1 ILE 95 HB 0.06 -0.01 0.07 -0.04 1.89 1.98 1htzE1 ILE 95 HG12 0.05 0.06 -0.14 -0.04 1.49 1.42 1htzE1 ILE 95 HG13 0.03 -0.02 -0.36 -0.04 1.21 0.82 1htzE1 ILE 95 HG23 0.13 -0.01 -0.20 -0.04 0.93 0.80 1htzE1 ILE 95 HD13 0.03 -0.01 -0.11 -0.04 0.88 0.75 1htzE1 HIS 96 H 0.20 0.19 0.17 -0.55 8.41 8.43 1htzE1 HIS 96 HA -0.08 0.14 0.90 -0.75 4.63 4.84 1htzE1 HIS 96 HB2 -0.00 -0.04 0.09 -0.04 3.26 3.27 1htzE1 HIS 96 HB3 -0.06 0.08 0.02 -0.04 3.20 3.19 1htzE1 HIS 96 HD2 -0.08 0.20 -0.13 -0.04 6.97 6.92 1htzE1 HIS 96 HE1 -0.01 -0.04 -0.09 -0.04 7.75 7.56 1htzE1 TYR 97 H -0.41 0.34 0.22 -0.55 8.29 7.88 1htzE1 TYR 97 HA 0.04 0.15 0.68 -0.75 4.56 4.67 1htzE1 TYR 97 HB2 0.02 -0.08 0.09 -0.04 3.06 3.05 1htzE1 TYR 97 HB3 0.02 0.07 -0.14 -0.04 2.98 2.90 1htzE1 TYR 97 HD2 0.00 0.04 -0.33 -0.04 7.15 6.82 1htzE1 TYR 97 HE2 -0.01 0.04 -0.15 -0.04 6.85 6.69 1htzE1 SER 98 H 0.18 0.13 0.15 -0.55 8.46 8.37 1htzE1 SER 98 HA 0.02 0.34 1.01 -0.75 4.49 5.10 1htzE1 SER 98 HB2 0.02 -0.01 0.17 -0.04 3.95 4.09 1htzE1 SER 98 HB3 0.03 0.11 -0.07 -0.04 3.93 3.96 1htzE1 GLN 99 H 0.03 0.23 0.17 -0.55 8.47 8.36 1htzE1 GLN 99 HA 0.06 0.07 0.40 -0.75 4.36 4.14 1htzE1 GLN 99 HB2 0.02 0.03 0.16 -0.04 2.15 2.33 1htzE1 GLN 99 HB3 0.02 0.00 0.10 -0.04 2.02 2.10 1htzE1 GLN 99 HG2 0.01 0.03 0.00 -0.04 2.40 2.40 1htzE1 GLN 99 HG3 0.02 0.04 -0.09 -0.04 2.39 2.32 1htzE1 GLN 99 HE21 0.02 -0.00 0.02 -0.04 6.97 6.97 1htzE1 GLN 99 HE22 0.02 0.04 0.04 -0.04 7.69 7.75 1htzE1 ASN 100 H 0.03 0.02 -0.39 -0.55 8.53 7.65 1htzE1 ASN 100 HA 0.01 0.16 0.43 -0.75 4.76 4.61 1htzE1 ASN 100 HB2 0.01 -0.08 0.04 -0.04 2.88 2.82 1htzE1 ASN 100 HB3 -0.00 0.05 -0.04 -0.04 2.79 2.76 1htzE1 ASN 100 HD21 -0.01 0.01 0.02 -0.04 7.03 7.00 1htzE1 ASN 100 HD22 -0.02 0.01 0.02 -0.04 7.74 7.70 1htzE1 ASP 101 H 0.07 0.53 -0.35 -0.55 8.40 8.10 1htzE1 ASP 101 HA -0.01 0.17 0.76 -0.75 4.63 4.79 1htzE1 ASP 101 HB2 0.10 0.09 0.05 -0.04 2.71 2.91 1htzE1 ASP 101 HB3 -0.02 -0.04 0.03 -0.04 2.70 2.62 1htzE1 LEU 102 H 0.05 0.19 -0.12 -0.55 8.37 7.93 1htzE1 LEU 102 HA -0.01 -0.12 0.41 -0.75 4.35 3.88 1htzE1 LEU 102 HB2 0.03 0.21 0.18 -0.04 1.64 2.03 1htzE1 LEU 102 HB3 0.02 0.00 -0.04 -0.04 1.64 1.58 1htzE1 LEU 102 HG 0.13 0.01 -0.05 -0.04 1.64 1.69 1htzE1 LEU 102 HD13 0.06 0.00 0.01 -0.04 0.93 0.96 1htzE1 LEU 102 HD23 0.06 0.01 -0.23 -0.04 0.89 0.69 1htzE1 VAL 103 H 0.00 -0.01 0.13 -0.55 8.24 7.82 1htzE1 VAL 103 HA 0.02 0.24 0.80 -0.75 4.13 4.43 1htzE1 VAL 103 HB 0.05 -0.09 0.06 -0.04 2.12 2.09 1htzE1 VAL 103 HG13 0.02 0.09 -0.16 -0.04 0.97 0.88 1htzE1 VAL 103 HG23 0.05 0.01 -0.21 -0.04 0.95 0.76 1htzE1 LYS 104 H 0.05 0.13 0.09 -0.55 8.42 8.13 1htzE1 LYS 104 HA 0.06 0.01 0.38 -0.75 4.32 4.02 1htzE1 LYS 104 HB2 0.05 0.03 0.13 -0.04 1.87 2.03 1htzE1 LYS 104 HB3 0.07 -0.00 0.11 -0.04 1.79 1.93 1htzE1 LYS 104 HG2 0.11 0.04 -0.16 -0.04 1.46 1.41 1htzE1 LYS 104 HG3 0.07 -0.04 0.06 -0.04 1.46 1.52 1htzE1 LYS 104 HD2 0.04 0.01 0.02 -0.04 1.69 1.72 1htzE1 LYS 104 HD3 0.04 0.00 -0.00 -0.04 1.68 1.68 1htzE1 LYS 104 HE2 0.04 0.01 -0.01 -0.04 2.99 2.99 1htzE1 LYS 104 HE3 0.04 -0.01 0.01 -0.04 2.99 2.99 1htzE1 TYR 105 H 0.11 0.10 0.16 -0.55 8.29 8.11 1htzE1 TYR 105 HA 0.01 -0.01 0.42 -0.75 4.56 4.23 1htzE1 TYR 105 HB2 0.01 -0.02 -0.03 -0.04 3.06 2.99 1htzE1 TYR 105 HB3 0.02 0.14 0.33 -0.04 2.98 3.42 1htzE1 TYR 105 HD2 0.01 0.01 0.11 -0.04 7.15 7.23 1htzE1 TYR 105 HE2 -0.00 0.14 0.02 -0.04 6.85 6.96 1htzE1 SER 106 H -0.16 0.18 -0.03 -0.55 8.46 7.90 1htzE1 SER 106 HA -0.23 0.00 0.77 -0.75 4.49 4.27 1htzE1 SER 106 HB2 -0.06 0.12 0.12 -0.04 3.95 4.09 1htzE1 SER 106 HB3 -0.08 -0.16 0.14 -0.04 3.93 3.79 1htzE1 PRO 107 HA -0.14 0.11 0.40 -0.51 4.44 4.30 1htzE1 PRO 107 HB2 -0.12 0.10 0.02 -0.04 2.28 2.24 1htzE1 PRO 107 HB3 -0.22 0.05 0.10 -0.04 2.02 1.91 1htzE1 PRO 107 HG2 -0.26 -0.03 -0.01 -0.04 2.03 1.68 1htzE1 PRO 107 HG3 -0.50 0.25 0.02 -0.04 2.03 1.76 1htzE1 PRO 107 HD2 -0.64 0.06 -0.03 -0.04 3.68 3.03 1htzE1 PRO 107 HD3 -1.51 0.12 -0.12 -0.04 3.65 2.10 1htzE1 VAL 108 H -0.13 -0.10 -0.39 -0.55 8.24 7.07 1htzE1 VAL 108 HA -0.02 0.35 1.00 -0.75 4.13 4.71 1htzE1 VAL 108 HB -0.03 -0.13 0.05 -0.04 2.12 1.96 1htzE1 VAL 108 HG13 0.10 0.03 -0.12 -0.04 0.97 0.94 1htzE1 VAL 108 HG23 -0.04 0.03 -0.10 -0.04 0.95 0.80 1htzE1 THR 109 H -0.04 -0.04 -0.02 -0.55 8.28 7.64 1htzE1 THR 109 HA 0.20 0.16 0.27 -0.75 4.39 4.26 1htzE1 THR 109 HB -0.16 0.09 -0.08 -0.04 4.32 4.12 1htzE1 THR 109 HG23 -0.14 0.01 -0.10 -0.04 1.22 0.95 1htzE1 GLU 110 H -0.02 0.39 -0.35 -0.55 8.60 8.08 1htzE1 GLU 110 HA 0.07 0.05 0.44 -0.75 4.29 4.09 1htzE1 GLU 110 HB2 -0.01 -0.00 0.09 -0.04 2.09 2.13 1htzE1 GLU 110 HB3 -0.01 -0.05 0.07 -0.04 1.99 1.96 1htzE1 GLU 110 HG2 -0.06 0.26 0.01 -0.04 2.34 2.51 1htzE1 GLU 110 HG3 -0.05 0.05 -0.27 -0.04 2.34 2.04 1htzE1 LYS 111 H -0.05 0.45 -0.57 -0.55 8.42 7.70 1htzE1 LYS 111 HA -0.14 0.16 0.82 -0.75 4.32 4.40 1htzE1 LYS 111 HB2 -0.33 0.18 0.10 -0.04 1.87 1.78 1htzE1 LYS 111 HB3 -0.35 -0.04 0.18 -0.04 1.79 1.55 1htzE1 LYS 111 HG2 -0.10 -0.02 -0.02 -0.04 1.46 1.28 1htzE1 LYS 111 HG3 -0.09 -0.12 -0.22 -0.04 1.46 0.99 1htzE1 LYS 111 HD2 -0.06 0.02 0.07 -0.04 1.69 1.67 1htzE1 LYS 111 HD3 -0.08 0.06 0.15 -0.04 1.68 1.77 1htzE1 LYS 111 HE2 -0.04 -0.00 0.05 -0.04 2.99 2.95 1htzE1 LYS 111 HE3 -0.12 -0.02 0.05 -0.04 2.99 2.86 1htzE1 HIS 112 H 0.05 0.35 -0.35 -0.55 8.41 7.91 1htzE1 HIS 112 HA -0.03 0.12 0.81 -0.75 4.63 4.78 1htzE1 HIS 112 HB2 0.10 -0.04 -0.06 -0.04 3.26 3.23 1htzE1 HIS 112 HB3 -0.04 0.17 0.15 -0.04 3.20 3.44 1htzE1 HIS 112 HD2 0.03 -0.04 -0.24 -0.04 6.97 6.67 1htzE1 HIS 112 HE1 -0.00 -0.02 -0.00 -0.04 7.75 7.68 1htzE1 LEU 113 H -0.04 0.20 -0.11 -0.55 8.37 7.88 1htzE1 LEU 113 HA -0.40 0.11 0.41 -0.75 4.35 3.72 1htzE1 LEU 113 HB2 -0.04 -0.01 0.08 -0.04 1.64 1.63 1htzE1 LEU 113 HB3 -0.06 0.02 0.01 -0.04 1.64 1.56 1htzE1 LEU 113 HG 0.05 0.05 -0.02 -0.04 1.64 1.68 1htzE1 LEU 113 HD13 0.01 0.00 0.03 -0.04 0.93 0.93 1htzE1 LEU 113 HD23 0.05 -0.02 -0.22 -0.04 0.89 0.65 1htzE1 THR 114 H -0.04 0.01 -0.18 -0.55 8.28 7.52 1htzE1 THR 114 HA -0.02 0.15 0.51 -0.75 4.39 4.27 1htzE1 THR 114 HB 0.00 -0.06 0.10 -0.04 4.32 4.33 1htzE1 THR 114 HG23 0.01 0.02 -0.11 -0.04 1.22 1.09 1htzE1 ASP 115 H 0.02 0.02 -0.02 -0.55 8.40 7.87 1htzE1 ASP 115 HA 0.08 0.14 0.58 -0.75 4.63 4.68 1htzE1 ASP 115 HB2 0.00 0.01 0.04 -0.04 2.71 2.72 1htzE1 ASP 115 HB3 0.04 -0.04 0.05 -0.04 2.70 2.71 1htzE1 GLY 116 H -0.13 0.22 -0.21 -0.55 8.43 7.76 1htzE1 GLY 116 HA2 -0.36 0.05 0.37 -0.51 4.01 3.57 1htzE1 GLY 116 HA3 -0.60 0.11 0.51 -0.51 4.01 3.53 1htzE1 MET 117 H -0.08 0.57 0.32 -0.55 8.47 8.73 1htzE1 MET 117 HA -0.14 0.12 0.66 -0.75 4.52 4.40 1htzE1 MET 117 HB2 0.09 -0.02 -0.07 -0.04 2.15 2.11 1htzE1 MET 117 HB3 -0.04 -0.03 -0.07 -0.04 2.03 1.85 1htzE1 MET 117 HG2 -0.27 0.02 -0.02 -0.04 2.63 2.31 1htzE1 MET 117 HG3 0.01 0.15 -0.46 -0.04 2.56 2.22 1htzE1 MET 117 HE3 -0.04 -0.02 -0.26 -0.04 2.10 1.74 1htzE1 THR 118 H -0.07 0.08 0.14 -0.55 8.28 7.89 1htzE1 THR 118 HA -0.02 0.40 0.78 -0.75 4.39 4.80 1htzE1 THR 118 HB 0.01 0.17 0.11 -0.04 4.32 4.57 1htzE1 THR 118 HG23 -0.02 0.04 -0.07 -0.04 1.22 1.13 1htzE1 VAL 119 H 0.01 0.55 0.17 -0.55 8.24 8.42 1htzE1 VAL 119 HA -0.02 0.02 0.37 -0.75 4.13 3.75 1htzE1 VAL 119 HB 0.03 0.04 0.18 -0.04 2.12 2.34 1htzE1 VAL 119 HG13 0.02 -0.01 -0.15 -0.04 0.97 0.78 1htzE1 VAL 119 HG23 0.01 0.05 0.05 -0.04 0.95 1.02 1htzE1 ARG 120 H 0.05 0.60 -0.06 -0.55 8.46 8.50 1htzE1 ARG 120 HA 0.25 0.05 0.39 -0.75 4.34 4.28 1htzE1 ARG 120 HB2 0.15 -0.04 0.06 -0.04 1.90 2.02 1htzE1 ARG 120 HB3 0.08 0.01 0.07 -0.04 1.80 1.92 1htzE1 ARG 120 HG2 0.17 -0.00 -0.30 -0.04 1.67 1.50 1htzE1 ARG 120 HG3 0.35 0.01 -0.03 -0.04 1.67 1.96 1htzE1 ARG 120 HD2 0.07 0.00 -0.07 -0.04 3.22 3.18 1htzE1 ARG 120 HD3 0.10 0.04 -0.07 -0.04 3.22 3.24 1htzE1 GLU 121 H -0.00 0.12 -0.22 -0.55 8.60 7.95 1htzE1 GLU 121 HA -0.02 0.09 0.44 -0.75 4.29 4.04 1htzE1 GLU 121 HB2 -0.06 0.01 0.15 -0.04 2.09 2.15 1htzE1 GLU 121 HB3 -0.08 0.01 -0.00 -0.04 1.99 1.88 1htzE1 GLU 121 HG2 -0.03 0.06 0.03 -0.04 2.34 2.36 1htzE1 GLU 121 HG3 -0.01 -0.03 0.03 -0.04 2.34 2.30 1htzE1 LEU 122 H -0.08 0.60 -0.25 -0.55 8.37 8.09 1htzE1 LEU 122 HA -0.12 -0.06 0.40 -0.75 4.35 3.82 1htzE1 LEU 122 HB2 -0.08 0.16 0.12 -0.04 1.64 1.80 1htzE1 LEU 122 HB3 -0.12 0.00 -0.09 -0.04 1.64 1.39 1htzE1 LEU 122 HG -0.09 -0.01 -0.04 -0.04 1.64 1.46 1htzE1 LEU 122 HD13 -0.08 -0.04 -0.12 -0.04 0.93 0.65 1htzE1 LEU 122 HD23 -0.02 0.05 -0.27 -0.04 0.89 0.60 1htzE1 CYS 123 H -0.29 0.61 -0.10 -0.55 8.50 8.17 1htzE1 CYS 123 HA -0.47 0.01 0.41 -0.75 4.58 3.78 1htzE1 CYS 123 HB2 -0.80 0.12 0.14 -0.04 2.97 2.38 1htzE1 CYS 123 HB3 -2.08 0.02 -0.03 -0.04 2.97 0.83 1htzE1 SER 124 H -0.53 0.43 -0.23 -0.55 8.46 7.59 1htzE1 SER 124 HA -0.85 0.08 0.41 -0.75 4.49 3.37 1htzE1 SER 124 HB2 0.01 0.05 0.10 -0.04 3.95 4.08 1htzE1 SER 124 HB3 -0.12 0.05 0.16 -0.04 3.93 3.98 1htzE1 ALA 125 H -0.21 0.59 -0.17 -0.55 8.40 8.06 1htzE1 ALA 125 HA -0.10 0.05 0.40 -0.75 4.34 3.94 1htzE1 ALA 125 HB3 -0.10 -0.01 0.09 -0.04 1.41 1.35 1htzE1 ALA 126 H -0.24 0.66 -0.17 -0.55 8.40 8.11 1htzE1 ALA 126 HA -0.12 0.01 0.40 -0.75 4.34 3.89 1htzE1 ALA 126 HB3 -0.22 -0.00 0.00 -0.04 1.41 1.15 1htzE1 ILE 127 H -0.30 0.60 -0.14 -0.55 8.25 7.86 1htzE1 ILE 127 HA -0.11 0.10 0.63 -0.75 4.18 4.04 1htzE1 ILE 127 HB -0.25 0.09 0.09 -0.04 1.89 1.78 1htzE1 ILE 127 HG12 -0.12 -0.08 -0.25 -0.04 1.49 1.00 1htzE1 ILE 127 HG13 -0.27 -0.03 -0.05 -0.04 1.21 0.82 1htzE1 ILE 127 HG23 0.04 0.02 -0.32 -0.04 0.93 0.63 1htzE1 ILE 127 HD13 0.01 -0.00 -0.05 -0.04 0.88 0.79 1htzE1 THR 128 H -0.13 0.62 0.11 -0.55 8.28 8.33 1htzE1 THR 128 HA 0.00 0.12 0.61 -0.75 4.39 4.37 1htzE1 THR 128 HB 0.02 0.18 0.09 -0.04 4.32 4.57 1htzE1 THR 128 HG23 0.05 0.05 0.03 -0.04 1.22 1.31 1htzE1 MET 129 H -0.05 0.26 -0.13 -0.55 8.47 8.01 1htzE1 MET 129 HA 0.05 0.18 0.93 -0.75 4.52 4.92 1htzE1 MET 129 HB2 -0.05 0.04 0.13 -0.04 2.15 2.23 1htzE1 MET 129 HB3 -0.03 -0.09 0.10 -0.04 2.03 1.97 1htzE1 MET 129 HG2 -0.01 0.02 -0.26 -0.04 2.63 2.34 1htzE1 MET 129 HG3 -0.02 -0.07 -0.06 -0.04 2.56 2.37 1htzE1 MET 129 HE3 0.01 -0.02 -0.02 -0.04 2.10 2.03 1htzE1 SER 130 H -0.01 0.13 -0.36 -0.55 8.46 7.67 1htzE1 SER 130 HA 0.00 0.42 0.43 -0.75 4.49 4.58 1htzE1 SER 130 HB2 0.08 -0.03 -0.29 -0.04 3.95 3.67 1htzE1 SER 130 HB3 0.25 0.02 0.17 -0.04 3.93 4.33 1htzE1 ASP 131 H -0.05 0.46 -0.22 -0.55 8.40 8.05 1htzE1 ASP 131 HA -0.17 0.11 0.43 -0.75 4.63 4.24 1htzE1 ASP 131 HB2 -0.12 0.14 -0.04 -0.04 2.71 2.65 1htzE1 ASP 131 HB3 -0.10 -0.05 -0.16 -0.04 2.70 2.35 1htzE1 ASN 132 H 0.02 0.69 0.47 -0.55 8.53 9.15 1htzE1 ASN 132 HA 0.08 0.10 0.57 -0.75 4.76 4.76 1htzE1 ASN 132 HB2 0.09 0.21 0.13 -0.04 2.88 3.27 1htzE1 ASN 132 HB3 0.10 -0.15 0.01 -0.04 2.79 2.72 1htzE1 ASN 132 HD21 0.18 -0.08 0.13 -0.04 7.03 7.22 1htzE1 ASN 132 HD22 0.21 0.52 0.31 -0.04 7.74 8.74 1htzE1 THR 133 H -0.04 0.14 0.01 -0.55 8.28 7.84 1htzE1 THR 133 HA -0.01 0.19 0.47 -0.75 4.39 4.29 1htzE1 THR 133 HB -0.13 -0.11 0.02 -0.04 4.32 4.06 1htzE1 THR 133 HG23 -0.22 0.07 -0.21 -0.04 1.22 0.82 1htzE1 ALA 134 H -0.09 0.04 -0.35 -0.55 8.40 7.45 1htzE1 ALA 134 HA -0.14 0.06 0.31 -0.75 4.34 3.81 1htzE1 ALA 134 HB3 -0.12 0.08 0.01 -0.04 1.41 1.34 1htzE1 ALA 135 H -0.02 0.33 -0.35 -0.55 8.40 7.81 1htzE1 ALA 135 HA -0.05 0.04 0.34 -0.75 4.34 3.92 1htzE1 ALA 135 HB3 0.08 0.06 0.07 -0.04 1.41 1.58 1htzE1 ASN 136 H 0.09 0.42 -0.19 -0.55 8.53 8.30 1htzE1 ASN 136 HA 0.32 -0.01 0.48 -0.75 4.76 4.80 1htzE1 ASN 136 HB2 0.12 0.11 0.23 -0.04 2.88 3.29 1htzE1 ASN 136 HB3 0.29 0.01 0.04 -0.04 2.79 3.09 1htzE1 ASN 136 HD21 0.17 0.26 0.11 -0.04 7.03 7.53 1htzE1 ASN 136 HD22 0.10 0.07 0.04 -0.04 7.74 7.91 1htzE1 LEU 137 H 0.01 0.72 -0.01 -0.55 8.37 8.55 1htzE1 LEU 137 HA 0.07 0.02 0.36 -0.75 4.35 4.05 1htzE1 LEU 137 HB2 -0.08 0.06 0.10 -0.04 1.64 1.68 1htzE1 LEU 137 HB3 -0.03 -0.01 -0.05 -0.04 1.64 1.51 1htzE1 LEU 137 HG -0.16 0.09 -0.01 -0.04 1.64 1.52 1htzE1 LEU 137 HD13 -0.62 -0.03 -0.18 -0.04 0.93 0.06 1htzE1 LEU 137 HD23 -0.03 -0.01 -0.06 -0.04 0.89 0.75 1htzE1 LEU 138 H -0.00 0.60 -0.29 -0.55 8.37 8.13 1htzE1 LEU 138 HA -0.01 0.02 0.34 -0.75 4.35 3.95 1htzE1 LEU 138 HB2 -0.05 0.09 0.05 -0.04 1.64 1.69 1htzE1 LEU 138 HB3 -0.06 -0.04 -0.09 -0.04 1.64 1.41 1htzE1 LEU 138 HG -0.08 0.10 -0.05 -0.04 1.64 1.57 1htzE1 LEU 138 HD13 -0.17 -0.04 -0.33 -0.04 0.93 0.36 1htzE1 LEU 138 HD23 -0.06 -0.01 -0.05 -0.04 0.89 0.73 1htzE1 LEU 139 H 0.05 0.47 -0.27 -0.55 8.37 8.08 1htzE1 LEU 139 HA -0.09 0.02 0.39 -0.75 4.35 3.91 1htzE1 LEU 139 HB2 -0.05 0.16 0.25 -0.04 1.64 1.96 1htzE1 LEU 139 HB3 -0.78 -0.13 -0.04 -0.04 1.64 0.65 1htzE1 LEU 139 HG 0.00 0.08 -0.02 -0.04 1.64 1.66 1htzE1 LEU 139 HD13 -0.36 -0.03 -0.08 -0.04 0.93 0.42 1htzE1 LEU 139 HD23 -0.26 -0.03 -0.19 -0.04 0.89 0.37 1htzE1 THR 140 H 0.23 0.61 -0.16 -0.55 8.28 8.42 1htzE1 THR 140 HA 0.35 -0.04 0.41 -0.75 4.39 4.36 1htzE1 THR 140 HB 0.15 0.21 0.15 -0.04 4.32 4.78 1htzE1 THR 140 HG23 0.11 -0.01 -0.06 -0.04 1.22 1.22 1htzE1 THR 141 H 0.06 0.33 -0.29 -0.55 8.28 7.84 1htzE1 THR 141 HA 0.05 0.06 0.38 -0.75 4.39 4.12 1htzE1 THR 141 HB 0.02 -0.03 0.07 -0.04 4.32 4.33 1htzE1 THR 141 HG23 0.03 0.04 0.03 -0.04 1.22 1.28 1htzE1 ILE 142 H 0.01 0.26 -0.29 -0.55 8.25 7.67 1htzE1 ILE 142 HA -0.00 0.21 0.77 -0.75 4.18 4.41 1htzE1 ILE 142 HB -0.04 -0.00 0.01 -0.04 1.89 1.82 1htzE1 ILE 142 HG12 -0.05 0.08 0.06 -0.04 1.49 1.54 1htzE1 ILE 142 HG13 -0.04 -0.01 -0.39 -0.04 1.21 0.72 1htzE1 ILE 142 HG23 -0.06 0.03 -0.12 -0.04 0.93 0.73 1htzE1 ILE 142 HD13 -0.06 -0.03 -0.21 -0.04 0.88 0.54 1htzE1 GLY 143 H 0.05 0.23 -0.27 -0.55 8.43 7.89 1htzE1 GLY 143 HA2 0.08 0.04 0.28 -0.51 4.01 3.89 1htzE1 GLY 143 HA3 0.04 0.17 0.87 -0.51 4.01 4.58 1htzE1 GLY 144 H -0.04 0.72 0.12 -0.55 8.43 8.68 1htzE1 GLY 144 HA2 -0.65 -0.00 0.18 -0.51 4.01 3.04 1htzE1 GLY 144 HA3 -0.07 0.11 0.44 -0.51 4.01 3.98 1htzE1 PRO 145 HA -0.26 -0.01 0.26 -0.51 4.44 3.92 1htzE1 PRO 145 HB2 -0.17 0.10 -0.08 -0.04 2.28 2.09 1htzE1 PRO 145 HB3 -0.24 -0.08 -0.57 -0.04 2.02 1.08 1htzE1 PRO 145 HG2 -0.63 0.07 -0.34 -0.04 2.03 1.08 1htzE1 PRO 145 HG3 -0.79 0.08 -0.26 -0.04 2.03 1.02 1htzE1 PRO 145 HD2 -0.37 0.18 0.10 -0.04 3.68 3.54 1htzE1 PRO 145 HD3 -1.80 0.08 0.07 -0.04 3.65 1.96 1htzE1 LYS 146 H -0.07 0.17 -0.22 -0.55 8.42 7.75 1htzE1 LYS 146 HA -0.03 0.09 0.43 -0.75 4.32 4.06 1htzE1 LYS 146 HB2 0.01 0.09 0.03 -0.04 1.87 1.95 1htzE1 LYS 146 HB3 -0.00 0.02 0.02 -0.04 1.79 1.79 1htzE1 LYS 146 HG2 0.00 0.01 0.06 -0.04 1.46 1.48 1htzE1 LYS 146 HG3 0.02 -0.04 0.07 -0.04 1.46 1.47 1htzE1 LYS 146 HD2 0.01 0.00 0.01 -0.04 1.69 1.68 1htzE1 LYS 146 HD3 0.04 -0.01 0.02 -0.04 1.68 1.69 1htzE1 LYS 146 HE2 0.05 0.04 0.04 -0.04 2.99 3.08 1htzE1 LYS 146 HE3 0.03 0.03 0.00 -0.04 2.99 3.00 1htzE1 GLU 147 H -0.03 0.34 -0.32 -0.55 8.60 8.04 1htzE1 GLU 147 HA 0.03 0.03 0.41 -0.75 4.29 4.01 1htzE1 GLU 147 HB2 -0.01 0.05 -0.27 -0.04 2.09 1.81 1htzE1 GLU 147 HB3 0.02 0.02 -0.03 -0.04 1.99 1.96 1htzE1 GLU 147 HG2 0.02 0.03 -0.00 -0.04 2.34 2.34 1htzE1 GLU 147 HG3 0.02 0.32 0.23 -0.04 2.34 2.87 1htzE1 LEU 148 H -0.04 0.31 -0.32 -0.55 8.37 7.77 1htzE1 LEU 148 HA 0.09 0.08 0.42 -0.75 4.35 4.19 1htzE1 LEU 148 HB2 -0.02 -0.01 -0.06 -0.04 1.64 1.51 1htzE1 LEU 148 HB3 -0.03 0.08 0.04 -0.04 1.64 1.69 1htzE1 LEU 148 HG 0.10 -0.00 -0.31 -0.04 1.64 1.40 1htzE1 LEU 148 HD13 0.15 -0.01 -0.12 -0.04 0.93 0.92 1htzE1 LEU 148 HD23 0.15 -0.02 -0.15 -0.04 0.89 0.83 1htzE1 THR 149 H 0.01 0.60 -0.10 -0.55 8.28 8.23 1htzE1 THR 149 HA 0.05 0.00 0.37 -0.75 4.39 4.07 1htzE1 THR 149 HB -0.00 0.14 0.20 -0.04 4.32 4.62 1htzE1 THR 149 HG23 0.02 0.02 -0.00 -0.04 1.22 1.21 1htzE1 ALA 150 H 0.05 0.56 -0.15 -0.55 8.40 8.32 1htzE1 ALA 150 HA 0.06 0.01 0.41 -0.75 4.34 4.07 1htzE1 ALA 150 HB3 0.06 0.03 0.08 -0.04 1.41 1.54 1htzE1 PHE 151 H 0.22 0.58 -0.23 -0.55 8.34 8.35 1htzE1 PHE 151 HA 0.03 0.00 0.34 -0.75 4.62 4.24 1htzE1 PHE 151 HB2 0.02 0.03 0.12 -0.04 3.15 3.28 1htzE1 PHE 151 HB3 0.02 0.14 0.18 -0.04 3.06 3.36 1htzE1 PHE 151 HD2 0.02 0.01 -0.06 -0.04 7.28 7.21 1htzE1 PHE 151 HE2 0.02 0.00 -0.12 -0.04 7.38 7.24 1htzE1 PHE 151 HZ 0.02 0.03 -0.21 -0.04 7.32 7.11 1htzE1 LEU 152 H 0.10 0.52 -0.19 -0.55 8.37 8.26 1htzE1 LEU 152 HA -0.32 -0.03 0.37 -0.75 4.35 3.62 1htzE1 LEU 152 HB2 0.04 0.15 0.13 -0.04 1.64 1.92 1htzE1 LEU 152 HB3 -0.03 0.03 -0.02 -0.04 1.64 1.57 1htzE1 LEU 152 HG 0.04 -0.11 -0.10 -0.04 1.64 1.43 1htzE1 LEU 152 HD13 0.04 -0.03 -0.07 -0.04 0.93 0.83 1htzE1 LEU 152 HD23 0.14 0.03 -0.15 -0.04 0.89 0.87 1htzE1 HIS 153 H 0.10 0.59 -0.17 -0.55 8.41 8.39 1htzE1 HIS 153 HA -0.08 0.06 0.24 -0.75 4.63 4.10 1htzE1 HIS 153 HB2 0.04 0.10 0.13 -0.04 3.26 3.48 1htzE1 HIS 153 HB3 0.03 0.09 0.16 -0.04 3.20 3.43 1htzE1 HIS 153 HD2 0.22 0.05 0.00 -0.04 6.97 7.20 1htzE1 HIS 153 HE1 0.01 -0.04 -0.05 -0.04 7.75 7.63 1htzE1 ASN 154 H 0.01 0.65 -0.13 -0.55 8.53 8.52 1htzE1 ASN 154 HA -0.01 0.01 0.39 -0.75 4.76 4.40 1htzE1 ASN 154 HB2 -0.03 0.11 0.08 -0.04 2.88 3.00 1htzE1 ASN 154 HB3 0.00 -0.06 0.06 -0.04 2.79 2.75 1htzE1 ASN 154 HD21 0.09 -0.10 -0.09 -0.04 7.03 6.89 1htzE1 ASN 154 HD22 0.10 -0.00 -0.16 -0.04 7.74 7.63 1htzE1 MET 155 H -0.27 0.36 -0.42 -0.55 8.47 7.59 1htzE1 MET 155 HA -0.15 0.14 0.78 -0.75 4.52 4.54 1htzE1 MET 155 HB2 -0.21 -0.07 0.13 -0.04 2.15 1.96 1htzE1 MET 155 HB3 -0.36 0.00 0.02 -0.04 2.03 1.65 1htzE1 MET 155 HG2 -0.66 0.20 0.10 -0.04 2.63 2.23 1htzE1 MET 155 HG3 -0.30 0.15 0.04 -0.04 2.56 2.41 1htzE1 MET 155 HE3 -0.12 -0.02 -0.14 -0.04 2.10 1.77 1htzE1 GLY 156 H -0.32 0.44 -0.32 -0.55 8.43 7.69 1htzE1 GLY 156 HA2 -0.39 0.00 0.26 -0.51 4.01 3.37 1htzE1 GLY 156 HA3 -0.21 0.18 0.88 -0.51 4.01 4.35 1htzE1 ASP 157 H -0.29 0.55 -0.03 -0.55 8.40 8.08 1htzE1 ASP 157 HA -0.18 0.06 0.78 -0.75 4.63 4.54 1htzE1 ASP 157 HB2 -0.11 0.05 0.01 -0.04 2.71 2.62 1htzE1 ASP 157 HB3 -0.11 0.07 0.10 -0.04 2.70 2.71 1htzE1 HIS 158 H -0.18 0.26 0.06 -0.55 8.41 8.00 1htzE1 HIS 158 HA 0.09 0.21 0.60 -0.75 4.63 4.77 1htzE1 HIS 158 HB2 -0.01 -0.03 0.03 -0.04 3.26 3.21 1htzE1 HIS 158 HB3 0.06 -0.00 0.13 -0.04 3.20 3.34 1htzE1 HIS 158 HD2 -0.08 -0.02 -0.01 -0.04 6.97 6.82 1htzE1 HIS 158 HE1 -0.69 0.07 -0.05 -0.04 7.75 7.03 1htzE1 VAL 159 H 0.02 -0.09 -0.40 -0.55 8.24 7.22 1htzE1 VAL 159 HA 0.05 0.26 0.88 -0.75 4.13 4.57 1htzE1 VAL 159 HB 0.02 -0.14 0.08 -0.04 2.12 2.04 1htzE1 VAL 159 HG13 0.02 -0.00 -0.23 -0.04 0.97 0.72 1htzE1 VAL 159 HG23 0.04 0.00 -0.11 -0.04 0.95 0.84 1htzE1 THR 160 H 0.02 -0.06 -0.00 -0.55 8.28 7.68 1htzE1 THR 160 HA 0.02 0.18 0.51 -0.75 4.39 4.34 1htzE1 THR 160 HB 0.03 0.05 -0.04 -0.04 4.32 4.31 1htzE1 THR 160 HG23 0.05 0.00 -0.13 -0.04 1.22 1.10 1htzE1 ARG 161 H 0.00 0.46 0.27 -0.55 8.46 8.65 1htzE1 ARG 161 HA 0.01 0.09 0.64 -0.75 4.34 4.33 1htzE1 ARG 161 HB2 -0.02 -0.08 -0.04 -0.04 1.90 1.72 1htzE1 ARG 161 HB3 0.01 0.22 -0.18 -0.04 1.80 1.81 1htzE1 ARG 161 HG2 -0.01 0.17 0.04 -0.04 1.67 1.84 1htzE1 ARG 161 HG3 -0.03 -0.33 0.09 -0.04 1.67 1.37 1htzE1 ARG 161 HD2 -0.00 0.07 -0.08 -0.04 3.22 3.17 1htzE1 ARG 161 HD3 -0.02 0.13 -0.01 -0.04 3.22 3.28 1htzE1 LEU 162 H -0.04 0.33 0.16 -0.55 8.37 8.27 1htzE1 LEU 162 HA -0.14 0.07 0.98 -0.75 4.35 4.51 1htzE1 LEU 162 HB2 -0.10 0.02 -0.09 -0.04 1.64 1.43 1htzE1 LEU 162 HB3 -0.13 0.06 0.08 -0.04 1.64 1.61 1htzE1 LEU 162 HG -0.33 -0.00 -0.05 -0.04 1.64 1.21 1htzE1 LEU 162 HD13 -0.52 -0.01 0.07 -0.04 0.93 0.44 1htzE1 LEU 162 HD23 -0.38 -0.01 -0.08 -0.04 0.89 0.38 1htzE1 ASP 163 H -0.13 0.00 0.22 -0.55 8.40 7.94 1htzE1 ASP 163 HA -0.07 0.26 0.97 -0.75 4.63 5.03 1htzE1 ASP 163 HB2 -0.04 -0.04 0.03 -0.04 2.71 2.62 1htzE1 ASP 163 HB3 -0.02 0.06 0.03 -0.04 2.70 2.73 1htzE1 ARG 164 H -0.14 -0.03 0.18 -0.55 8.46 7.92 1htzE1 ARG 164 HA 0.07 0.28 1.00 -0.75 4.34 4.94 1htzE1 ARG 164 HB2 -0.02 -0.02 -0.09 -0.04 1.90 1.73 1htzE1 ARG 164 HB3 0.09 -0.03 0.05 -0.04 1.80 1.87 1htzE1 ARG 164 HG2 0.07 0.10 -0.10 -0.04 1.67 1.69 1htzE1 ARG 164 HG3 0.00 -0.12 -0.39 -0.04 1.67 1.12 1htzE1 ARG 164 HD2 0.03 -0.02 -0.12 -0.04 3.22 3.07 1htzE1 ARG 164 HD3 0.02 0.04 -0.08 -0.04 3.22 3.16 1htzE1 TRP 165 H 0.43 0.13 0.11 -0.55 7.97 8.09 1htzE1 TRP 165 HA -0.06 0.18 0.63 -0.75 4.62 4.62 1htzE1 TRP 165 HB2 -0.01 0.05 0.02 -0.04 3.23 3.24 1htzE1 TRP 165 HB3 -0.00 -0.00 0.17 -0.04 3.23 3.35 1htzE1 TRP 165 HD1 -0.02 -0.07 0.06 -0.04 7.22 7.15 1htzE1 TRP 165 HE1 -0.01 0.05 -0.00 -0.04 10.20 10.20 1htzE1 TRP 165 HE3 0.01 -0.05 0.07 -0.04 7.59 7.58 1htzE1 TRP 165 HZ2 0.00 0.05 -0.05 -0.04 7.44 7.40 1htzE1 TRP 165 HZ3 0.01 0.16 0.00 -0.04 7.13 7.26 1htzE1 TRP 165 HH2 0.01 0.04 -0.14 -0.04 7.19 7.05 1htzE1 GLU 166 H 0.28 0.18 0.14 -0.55 8.60 8.65 1htzE1 GLU 166 HA 0.10 0.03 0.56 -0.75 4.29 4.22 1htzE1 GLU 166 HB2 0.17 0.03 0.12 -0.04 2.09 2.37 1htzE1 GLU 166 HB3 0.13 0.05 0.03 -0.04 1.99 2.16 1htzE1 GLU 166 HG2 0.23 -0.06 -0.01 -0.04 2.34 2.46 1htzE1 GLU 166 HG3 0.20 0.09 0.10 -0.04 2.34 2.69 1htzE1 PRO 167 HA 0.08 0.04 0.42 -0.51 4.44 4.47 1htzE1 PRO 167 HB2 0.05 0.05 0.06 -0.04 2.28 2.41 1htzE1 PRO 167 HB3 0.07 0.06 0.10 -0.04 2.02 2.21 1htzE1 PRO 167 HG2 0.04 0.05 0.02 -0.04 2.03 2.10 1htzE1 PRO 167 HG3 0.04 0.04 0.08 -0.04 2.03 2.15 1htzE1 PRO 167 HD2 0.05 0.12 0.41 -0.04 3.68 4.21 1htzE1 PRO 167 HD3 0.06 0.10 0.03 -0.04 3.65 3.79 1htzE1 GLU 168 H 0.07 0.22 -0.08 -0.55 8.60 8.26 1htzE1 GLU 168 HA 0.03 0.06 0.34 -0.75 4.29 3.97 1htzE1 GLU 168 HB2 0.07 0.01 0.04 -0.04 2.09 2.18 1htzE1 GLU 168 HB3 0.04 0.00 0.05 -0.04 1.99 2.04 1htzE1 GLU 168 HG2 0.04 0.04 0.02 -0.04 2.34 2.40 1htzE1 GLU 168 HG3 0.03 0.02 0.05 -0.04 2.34 2.40 1htzE1 LEU 169 H 0.02 0.44 -0.35 -0.55 8.37 7.92 1htzE1 LEU 169 HA -0.04 0.02 0.35 -0.75 4.35 3.93 1htzE1 LEU 169 HB2 -0.20 -0.04 0.09 -0.04 1.64 1.46 1htzE1 LEU 169 HB3 -0.15 0.05 -0.21 -0.04 1.64 1.28 1htzE1 LEU 169 HG -0.03 -0.04 -0.25 -0.04 1.64 1.28 1htzE1 LEU 169 HD13 -0.07 0.01 -0.32 -0.04 0.93 0.50 1htzE1 LEU 169 HD23 -0.49 -0.02 -0.24 -0.04 0.89 0.10 1htzE1 ASN 170 H 0.02 0.50 -0.50 -0.55 8.53 8.01 1htzE1 ASN 170 HA 0.02 0.16 0.86 -0.75 4.76 5.05 1htzE1 ASN 170 HB2 0.04 0.14 0.12 -0.04 2.88 3.13 1htzE1 ASN 170 HB3 0.04 -0.04 0.23 -0.04 2.79 2.98 1htzE1 ASN 170 HD21 0.09 -0.18 0.09 -0.04 7.03 6.99 1htzE1 ASN 170 HD22 0.06 0.26 0.18 -0.04 7.74 8.19 1htzE1 GLU 171 H 0.01 0.43 -0.13 -0.55 8.60 8.37 1htzE1 GLU 171 HA 0.01 0.01 0.39 -0.75 4.29 3.95 1htzE1 GLU 171 HB2 0.00 0.06 0.17 -0.04 2.09 2.28 1htzE1 GLU 171 HB3 0.00 -0.05 -0.04 -0.04 1.99 1.86 1htzE1 GLU 171 HG2 0.01 -0.02 0.07 -0.04 2.34 2.37 1htzE1 GLU 171 HG3 0.01 0.05 0.13 -0.04 2.34 2.49 1htzE1 ALA 172 H 0.00 0.10 -0.17 -0.55 8.40 7.79 1htzE1 ALA 172 HA 0.00 0.07 0.21 -0.75 4.34 3.87 1htzE1 ALA 172 HB3 0.03 0.05 -0.02 -0.04 1.41 1.43 1htzE1 ILE 173 H -0.00 -0.03 -0.12 -0.55 8.25 7.55 1htzE1 ILE 173 HA -0.00 0.17 0.49 -0.75 4.18 4.09 1htzE1 ILE 173 HB -0.01 -0.10 0.11 -0.04 1.89 1.86 1htzE1 ILE 173 HG12 0.00 0.08 -0.02 -0.04 1.49 1.51 1htzE1 ILE 173 HG13 0.00 -0.11 -0.08 -0.04 1.21 0.98 1htzE1 ILE 173 HG23 -0.01 0.04 -0.11 -0.04 0.93 0.81 1htzE1 ILE 173 HD13 -0.00 -0.01 0.00 -0.04 0.88 0.83 1htzE1 PRO 174 HA -0.03 0.01 0.40 -0.51 4.44 4.31 1htzE1 PRO 174 HB2 -0.01 -0.03 0.11 -0.04 2.28 2.30 1htzE1 PRO 174 HB3 -0.02 0.03 0.11 -0.04 2.02 2.11 1htzE1 PRO 174 HG2 -0.00 0.01 0.14 -0.04 2.03 2.14 1htzE1 PRO 174 HG3 -0.00 0.16 0.19 -0.04 2.03 2.34 1htzE1 PRO 174 HD2 -0.00 0.01 0.22 -0.04 3.68 3.87 1htzE1 PRO 174 HD3 0.00 0.30 0.39 -0.04 3.65 4.31 1htzE1 ASN 175 H -0.05 0.16 0.12 -0.55 8.53 8.21 1htzE1 ASN 175 HA -0.06 0.00 0.30 -0.75 4.76 4.25 1htzE1 ASN 175 HB2 -0.03 0.29 0.09 -0.04 2.88 3.19 1htzE1 ASN 175 HB3 -0.03 -0.06 0.12 -0.04 2.79 2.77 1htzE1 ASN 175 HD21 -0.03 -0.01 -0.09 -0.04 7.03 6.86 1htzE1 ASN 175 HD22 -0.02 0.10 -0.21 -0.04 7.74 7.57 1htzE1 ASP 176 H -0.03 0.59 -0.52 -0.55 8.40 7.89 1htzE1 ASP 176 HA -0.02 -0.01 0.52 -0.75 4.63 4.37 1htzE1 ASP 176 HB2 -0.02 0.03 0.04 -0.04 2.71 2.72 1htzE1 ASP 176 HB3 -0.02 0.11 0.14 -0.04 2.70 2.89 1htzE1 GLU 177 H -0.03 0.14 0.14 -0.55 8.60 8.30 1htzE1 GLU 177 HA -0.04 0.19 0.47 -0.75 4.29 4.16 1htzE1 GLU 177 HB2 -0.02 -0.03 0.02 -0.04 2.09 2.01 1htzE1 GLU 177 HB3 -0.03 0.01 0.07 -0.04 1.99 2.00 1htzE1 GLU 177 HG2 -0.05 0.03 -0.16 -0.04 2.34 2.12 1htzE1 GLU 177 HG3 -0.03 0.07 0.05 -0.04 2.34 2.39 1htzE1 ARG 178 H -0.03 0.01 -0.39 -0.55 8.46 7.50 1htzE1 ARG 178 HA -0.03 0.07 0.43 -0.75 4.34 4.05 1htzE1 ARG 178 HB2 -0.02 0.01 0.01 -0.04 1.90 1.85 1htzE1 ARG 178 HB3 -0.03 -0.08 -0.04 -0.04 1.80 1.61 1htzE1 ARG 178 HG2 -0.02 0.03 -0.04 -0.04 1.67 1.61 1htzE1 ARG 178 HG3 -0.02 -0.02 -0.03 -0.04 1.67 1.56 1htzE1 ARG 178 HD2 -0.01 -0.04 -0.06 -0.04 3.22 3.08 1htzE1 ARG 178 HD3 -0.01 0.04 -0.03 -0.04 3.22 3.18 1htzE1 ASP 179 H -0.06 0.06 0.08 -0.55 8.40 7.94 1htzE1 ASP 179 HA -0.09 0.26 0.61 -0.75 4.63 4.65 1htzE1 ASP 179 HB2 -0.07 0.22 0.13 -0.04 2.71 2.96 1htzE1 ASP 179 HB3 -0.13 -0.03 0.29 -0.04 2.70 2.79 1htzE1 THR 180 H -0.04 0.22 -0.01 -0.55 8.28 7.90 1htzE1 THR 180 HA -0.06 0.10 1.19 -0.75 4.39 4.86 1htzE1 THR 180 HB -0.05 -0.02 -0.05 -0.04 4.32 4.16 1htzE1 THR 180 HG23 -0.05 0.02 -0.53 -0.04 1.22 0.62 1htzE1 THR 181 H -0.08 0.63 0.30 -0.55 8.28 8.58 1htzE1 THR 181 HA 0.00 0.13 0.58 -0.75 4.39 4.35 1htzE1 THR 181 HB 0.01 0.02 -0.22 -0.04 4.32 4.09 1htzE1 THR 181 HG23 -0.09 0.03 -0.32 -0.04 1.22 0.80 1htzE1 THR 182 H 0.06 0.06 0.12 -0.55 8.28 7.97 1htzE1 THR 182 HA 0.16 0.56 0.88 -0.75 4.39 5.24 1htzE1 THR 182 HB 0.05 -0.13 0.00 -0.04 4.32 4.20 1htzE1 THR 182 HG23 0.06 -0.15 0.05 -0.04 1.22 1.14 1htzE1 PRO 183 HA 0.17 0.02 0.32 -0.51 4.44 4.44 1htzE1 PRO 183 HB2 0.08 -0.02 0.04 -0.04 2.28 2.34 1htzE1 PRO 183 HB3 0.03 0.06 -0.17 -0.04 2.02 1.89 1htzE1 PRO 183 HG2 0.13 0.13 0.04 -0.04 2.03 2.29 1htzE1 PRO 183 HG3 0.04 -0.02 -0.06 -0.04 2.03 1.95 1htzE1 PRO 183 HD2 0.21 0.31 0.22 -0.04 3.68 4.38 1htzE1 PRO 183 HD3 0.38 0.31 0.20 -0.04 3.65 4.51 1htzE1 ALA 184 H 0.07 0.55 -0.08 -0.55 8.40 8.40 1htzE1 ALA 184 HA 0.02 0.08 0.38 -0.75 4.34 4.06 1htzE1 ALA 184 HB3 0.03 0.01 -0.02 -0.04 1.41 1.38 1htzE1 ALA 185 H 0.05 0.10 -0.23 -0.55 8.40 7.78 1htzE1 ALA 185 HA 0.01 0.12 0.46 -0.75 4.34 4.18 1htzE1 ALA 185 HB3 0.03 -0.04 0.09 -0.04 1.41 1.45 1htzE1 MET 186 H 0.08 0.80 -0.02 -0.55 8.47 8.78 1htzE1 MET 186 HA 0.07 0.01 0.36 -0.75 4.52 4.21 1htzE1 MET 186 HB2 0.17 -0.08 -0.02 -0.04 2.15 2.18 1htzE1 MET 186 HB3 0.17 0.13 0.03 -0.04 2.03 2.31 1htzE1 MET 186 HG2 0.25 0.01 -0.14 -0.04 2.63 2.71 1htzE1 MET 186 HG3 0.09 0.02 -0.26 -0.04 2.56 2.36 1htzE1 MET 186 HE3 0.18 -0.01 -0.18 -0.04 2.10 2.05 1htzE1 ALA 187 H 0.04 0.54 -0.26 -0.55 8.40 8.17 1htzE1 ALA 187 HA 0.01 0.00 0.32 -0.75 4.34 3.92 1htzE1 ALA 187 HB3 -0.01 0.02 0.00 -0.04 1.41 1.38 1htzE1 THR 188 H 0.01 0.54 -0.10 -0.55 8.28 8.17 1htzE1 THR 188 HA -0.00 0.06 0.40 -0.75 4.39 4.09 1htzE1 THR 188 HB -0.02 -0.01 0.04 -0.04 4.32 4.29 1htzE1 THR 188 HG23 -0.00 0.06 0.07 -0.04 1.22 1.30 1htzE1 THR 189 H 0.01 0.51 -0.29 -0.55 8.28 7.96 1htzE1 THR 189 HA -0.02 0.06 0.42 -0.75 4.39 4.11 1htzE1 THR 189 HB 0.03 0.07 0.12 -0.04 4.32 4.49 1htzE1 THR 189 HG23 0.02 -0.02 -0.17 -0.04 1.22 1.02 1htzE1 LEU 190 H 0.03 0.65 -0.12 -0.55 8.37 8.38 1htzE1 LEU 190 HA 0.05 -0.01 0.33 -0.75 4.35 3.98 1htzE1 LEU 190 HB2 0.05 0.01 0.06 -0.04 1.64 1.71 1htzE1 LEU 190 HB3 0.03 0.10 0.11 -0.04 1.64 1.84 1htzE1 LEU 190 HG 0.05 0.01 -0.26 -0.04 1.64 1.40 1htzE1 LEU 190 HD13 0.06 -0.01 -0.07 -0.04 0.93 0.86 1htzE1 LEU 190 HD23 0.04 -0.01 -0.14 -0.04 0.89 0.74 1htzE1 ARG 191 H 0.02 0.54 -0.25 -0.55 8.46 8.22 1htzE1 ARG 191 HA 0.02 0.01 0.35 -0.75 4.34 3.97 1htzE1 ARG 191 HB2 0.01 -0.03 0.04 -0.04 1.90 1.88 1htzE1 ARG 191 HB3 0.00 0.11 0.13 -0.04 1.80 2.00 1htzE1 ARG 191 HG2 0.00 -0.03 -0.28 -0.04 1.67 1.32 1htzE1 ARG 191 HG3 0.01 0.01 -0.00 -0.04 1.67 1.65 1htzE1 ARG 191 HD2 0.00 -0.03 -0.08 -0.04 3.22 3.06 1htzE1 ARG 191 HD3 -0.00 -0.05 -0.05 -0.04 3.22 3.08 1htzE1 LYS 192 H 0.00 0.54 -0.17 -0.55 8.42 8.24 1htzE1 LYS 192 HA -0.00 -0.02 0.49 -0.75 4.32 4.04 1htzE1 LYS 192 HB2 -0.02 0.11 0.14 -0.04 1.87 2.06 1htzE1 LYS 192 HB3 -0.02 -0.07 0.07 -0.04 1.79 1.73 1htzE1 LYS 192 HG2 -0.02 -0.07 0.06 -0.04 1.46 1.39 1htzE1 LYS 192 HG3 -0.02 0.19 0.09 -0.04 1.46 1.68 1htzE1 LYS 192 HD2 -0.06 -0.02 -0.05 -0.04 1.69 1.53 1htzE1 LYS 192 HD3 -0.05 0.03 0.05 -0.04 1.68 1.66 1htzE1 LYS 192 HE2 -0.03 -0.04 0.01 -0.04 2.99 2.89 1htzE1 LYS 192 HE3 -0.03 -0.03 -0.03 -0.04 2.99 2.86 1htzE1 LEU 193 H 0.03 0.43 -0.42 -0.55 8.37 7.86 1htzE1 LEU 193 HA 0.06 -0.01 0.45 -0.75 4.35 4.10 1htzE1 LEU 193 HB2 0.06 0.22 0.15 -0.04 1.64 2.04 1htzE1 LEU 193 HB3 0.07 -0.00 -0.06 -0.04 1.64 1.61 1htzE1 LEU 193 HG 0.13 -0.06 -0.02 -0.04 1.64 1.65 1htzE1 LEU 193 HD13 0.17 0.00 -0.09 -0.04 0.93 0.97 1htzE1 LEU 193 HD23 0.13 -0.01 -0.11 -0.04 0.89 0.85 1htzE1 LEU 194 H 0.03 0.35 -0.16 -0.55 8.37 8.05 1htzE1 LEU 194 HA 0.03 0.13 0.75 -0.75 4.35 4.51 1htzE1 LEU 194 HB2 0.03 0.04 0.03 -0.04 1.64 1.71 1htzE1 LEU 194 HB3 0.03 -0.04 0.04 -0.04 1.64 1.63 1htzE1 LEU 194 HG 0.06 0.16 -0.04 -0.04 1.64 1.77 1htzE1 LEU 194 HD13 0.07 -0.03 -0.10 -0.04 0.93 0.83 1htzE1 LEU 194 HD23 0.07 -0.01 -0.13 -0.04 0.89 0.78 1htzE1 THR 195 H 0.01 0.22 -0.07 -0.55 8.28 7.89 1htzE1 THR 195 HA -0.00 0.20 1.06 -0.75 4.39 4.90 1htzE1 THR 195 HB -0.01 -0.06 0.05 -0.04 4.32 4.27 1htzE1 THR 195 HG23 -0.00 -0.01 -0.24 -0.04 1.22 0.93 1htzE1 GLY 196 H 0.01 0.13 0.10 -0.55 8.43 8.12 1htzE1 GLY 196 HA2 -0.00 0.10 0.46 -0.51 4.01 4.05 1htzE1 GLY 196 HA3 -0.00 -0.03 0.49 -0.51 4.01 3.96 1htzE1 GLU 197 H 0.00 0.12 0.15 -0.55 8.60 8.33 1htzE1 GLU 197 HA 0.00 0.26 0.76 -0.75 4.29 4.56 1htzE1 GLU 197 HB2 0.00 -0.02 0.05 -0.04 2.09 2.08 1htzE1 GLU 197 HB3 0.00 -0.02 0.13 -0.04 1.99 2.06 1htzE1 GLU 197 HG2 -0.00 -0.02 -0.07 -0.04 2.34 2.20 1htzE1 GLU 197 HG3 -0.00 -0.03 0.00 -0.04 2.34 2.27 1htzE1 LEU 198 H 0.01 0.05 -0.14 -0.55 8.37 7.75 1htzE1 LEU 198 HA 0.02 0.03 0.37 -0.75 4.35 4.02 1htzE1 LEU 198 HB2 0.01 -0.04 0.10 -0.04 1.64 1.67 1htzE1 LEU 198 HB3 0.04 0.10 0.05 -0.04 1.64 1.79 1htzE1 LEU 198 HG 0.12 -0.02 -0.20 -0.04 1.64 1.50 1htzE1 LEU 198 HD13 -0.00 0.00 0.02 -0.04 0.93 0.91 1htzE1 LEU 198 HD23 -0.02 -0.00 -0.12 -0.04 0.89 0.70 1htzE1 LEU 199 H 0.04 0.18 -0.23 -0.55 8.37 7.81 1htzE1 LEU 199 HA 0.05 0.14 0.76 -0.75 4.35 4.54 1htzE1 LEU 199 HB2 0.03 0.14 -0.05 -0.04 1.64 1.73 1htzE1 LEU 199 HB3 0.03 -0.18 -0.04 -0.04 1.64 1.41 1htzE1 LEU 199 HG 0.10 -0.01 -0.14 -0.04 1.64 1.55 1htzE1 LEU 199 HD13 0.07 0.02 -0.09 -0.04 0.93 0.90 1htzE1 LEU 199 HD23 0.09 0.05 -0.15 -0.04 0.89 0.84 1htzE1 THR 200 H 0.01 0.05 0.10 -0.55 8.28 7.89 1htzE1 THR 200 HA 0.00 0.23 0.43 -0.75 4.39 4.30 1htzE1 THR 200 HB -0.01 -0.08 0.17 -0.04 4.32 4.35 1htzE1 THR 200 HG23 0.01 0.06 0.08 -0.04 1.22 1.33 1htzE1 LEU 201 H -0.01 0.18 0.17 -0.55 8.37 8.16 1htzE1 LEU 201 HA -0.02 0.22 0.39 -0.75 4.35 4.18 1htzE1 LEU 201 HB2 -0.02 0.07 0.17 -0.04 1.64 1.82 1htzE1 LEU 201 HB3 -0.02 -0.09 0.14 -0.04 1.64 1.63 1htzE1 LEU 201 HG -0.02 0.02 0.02 -0.04 1.64 1.61 1htzE1 LEU 201 HD13 -0.03 -0.02 -0.20 -0.04 0.93 0.64 1htzE1 LEU 201 HD23 -0.02 0.03 0.05 -0.04 0.89 0.90 1htzE1 ALA 202 H -0.03 0.08 -0.11 -0.55 8.40 7.80 1htzE1 ALA 202 HA -0.06 0.13 0.39 -0.75 4.34 4.04 1htzE1 ALA 202 HB3 -0.04 0.02 0.04 -0.04 1.41 1.38 1htzE1 SER 203 H -0.03 0.06 -0.29 -0.55 8.46 7.66 1htzE1 SER 203 HA -0.09 0.04 0.46 -0.75 4.49 4.14 1htzE1 SER 203 HB2 -0.00 -0.00 0.08 -0.04 3.95 3.98 1htzE1 SER 203 HB3 0.00 0.06 -0.04 -0.04 3.93 3.91 1htzE1 ARG 204 H -0.02 0.66 -0.21 -0.55 8.46 8.33 1htzE1 ARG 204 HA 0.00 0.11 0.36 -0.75 4.34 4.06 1htzE1 ARG 204 HB2 -0.01 0.23 -0.05 -0.04 1.90 2.03 1htzE1 ARG 204 HB3 -0.02 0.01 0.06 -0.04 1.80 1.81 1htzE1 ARG 204 HG2 0.00 0.06 -0.04 -0.04 1.67 1.66 1htzE1 ARG 204 HG3 0.01 0.10 -0.14 -0.04 1.67 1.60 1htzE1 ARG 204 HD2 -0.01 -0.10 -0.07 -0.04 3.22 3.00 1htzE1 ARG 204 HD3 -0.00 -0.01 -0.42 -0.04 3.22 2.74 1htzE1 GLN 205 H -0.06 0.54 -0.20 -0.55 8.47 8.21 1htzE1 GLN 205 HA -0.04 0.06 0.41 -0.75 4.36 4.03 1htzE1 GLN 205 HB2 -0.05 0.08 0.11 -0.04 2.15 2.25 1htzE1 GLN 205 HB3 -0.09 0.03 0.12 -0.04 2.02 2.05 1htzE1 GLN 205 HG2 -0.06 -0.04 -0.02 -0.04 2.40 2.24 1htzE1 GLN 205 HG3 -0.08 -0.04 -0.16 -0.04 2.39 2.06 1htzE1 GLN 205 HE21 0.02 0.04 -0.00 -0.04 6.97 6.99 1htzE1 GLN 205 HE22 -0.02 -0.06 0.01 -0.04 7.69 7.57 1htzE1 GLN 206 H -0.18 0.49 -0.23 -0.55 8.47 8.00 1htzE1 GLN 206 HA -0.45 0.00 0.41 -0.75 4.36 3.57 1htzE1 GLN 206 HB2 -0.38 0.01 0.12 -0.04 2.15 1.86 1htzE1 GLN 206 HB3 -0.40 0.08 0.17 -0.04 2.02 1.83 1htzE1 GLN 206 HG2 -0.90 -0.08 -0.04 -0.04 2.40 1.34 1htzE1 GLN 206 HG3 -2.30 0.00 -0.24 -0.04 2.39 -0.19 1htzE1 GLN 206 HE21 -0.81 0.01 -0.02 -0.04 6.97 6.11 1htzE1 GLN 206 HE22 -2.29 -0.04 0.08 -0.04 7.69 5.39 1htzE1 LEU 207 H -0.13 0.70 -0.18 -0.55 8.37 8.20 1htzE1 LEU 207 HA 0.25 -0.04 0.41 -0.75 4.35 4.21 1htzE1 LEU 207 HB2 0.08 0.01 0.04 -0.04 1.64 1.74 1htzE1 LEU 207 HB3 0.05 0.20 0.13 -0.04 1.64 1.97 1htzE1 LEU 207 HG 0.13 -0.03 -0.22 -0.04 1.64 1.48 1htzE1 LEU 207 HD13 0.25 -0.02 -0.06 -0.04 0.93 1.06 1htzE1 LEU 207 HD23 0.10 0.02 -0.12 -0.04 0.89 0.84 1htzE1 ILE 208 H 0.00 0.57 -0.07 -0.55 8.25 8.21 1htzE1 ILE 208 HA 0.11 -0.01 0.36 -0.75 4.18 3.89 1htzE1 ILE 208 HB 0.06 0.11 0.12 -0.04 1.89 2.14 1htzE1 ILE 208 HG12 0.34 -0.03 -0.02 -0.04 1.49 1.74 1htzE1 ILE 208 HG13 0.18 -0.07 0.07 -0.04 1.21 1.35 1htzE1 ILE 208 HG23 0.05 0.04 -0.03 -0.04 0.93 0.95 1htzE1 ILE 208 HD13 0.11 0.01 -0.02 -0.04 0.88 0.95 1htzE1 ASP 209 H -0.07 0.51 -0.29 -0.55 8.40 8.00 1htzE1 ASP 209 HA 0.03 0.04 0.45 -0.75 4.63 4.40 1htzE1 ASP 209 HB2 -0.26 0.07 0.12 -0.04 2.71 2.60 1htzE1 ASP 209 HB3 -0.09 -0.07 -0.01 -0.04 2.70 2.49 1htzE1 TRP 210 H 0.05 0.49 -0.24 -0.55 7.97 7.72 1htzE1 TRP 210 HA -0.00 0.01 0.46 -0.75 4.62 4.33 1htzE1 TRP 210 HB2 -0.00 0.22 0.18 -0.04 3.23 3.59 1htzE1 TRP 210 HB3 -0.01 -0.09 -0.05 -0.04 3.23 3.03 1htzE1 TRP 210 HD1 -0.01 0.01 0.00 -0.04 7.22 7.19 1htzE1 TRP 210 HE1 -0.01 -0.04 -0.02 -0.04 10.20 10.09 1htzE1 TRP 210 HE3 -0.01 0.05 -0.06 -0.04 7.59 7.53 1htzE1 TRP 210 HZ2 -0.01 -0.05 0.03 -0.04 7.44 7.37 1htzE1 TRP 210 HZ3 -0.02 0.01 -0.09 -0.04 7.13 6.99 1htzE1 TRP 210 HH2 -0.02 -0.07 -0.05 -0.04 7.19 7.01 1htzE1 MET 211 H 0.20 0.44 -0.14 -0.55 8.47 8.42 1htzE1 MET 211 HA 0.09 0.10 0.39 -0.75 4.52 4.34 1htzE1 MET 211 HB2 0.10 0.10 0.09 -0.04 2.15 2.40 1htzE1 MET 211 HB3 0.06 -0.12 -0.18 -0.04 2.03 1.76 1htzE1 MET 211 HG2 0.07 -0.01 -0.13 -0.04 2.63 2.52 1htzE1 MET 211 HG3 0.15 0.06 -0.03 -0.04 2.56 2.70 1htzE1 MET 211 HE3 0.06 0.00 -0.30 -0.04 2.10 1.82 1htzE1 GLU 212 H 0.05 0.56 -0.14 -0.55 8.60 8.53 1htzE1 GLU 212 HA -0.14 0.13 0.69 -0.75 4.29 4.22 1htzE1 GLU 212 HB2 -0.17 -0.03 0.13 -0.04 2.09 1.97 1htzE1 GLU 212 HB3 -0.02 0.05 0.18 -0.04 1.99 2.16 1htzE1 GLU 212 HG2 -0.12 -0.01 -0.11 -0.04 2.34 2.06 1htzE1 GLU 212 HG3 -0.38 0.08 0.15 -0.04 2.34 2.15 1htzE1 ALA 213 H 0.06 0.33 -0.49 -0.55 8.40 7.75 1htzE1 ALA 213 HA 0.01 0.10 0.60 -0.75 4.34 4.29 1htzE1 ALA 213 HB3 0.08 -0.03 0.14 -0.04 1.41 1.56 1htzE1 ASP 214 H 0.01 0.42 -0.58 -0.55 8.40 7.70 1htzE1 ASP 214 HA 0.02 -0.05 0.55 -0.75 4.63 4.39 1htzE1 ASP 214 HB2 0.01 0.36 0.30 -0.04 2.71 3.34 1htzE1 ASP 214 HB3 -0.01 -0.08 0.12 -0.04 2.70 2.70 1htzE1 LYS 215 H 0.02 0.59 0.46 -0.55 8.42 8.93 1htzE1 LYS 215 HA 0.01 0.21 0.94 -0.75 4.32 4.73 1htzE1 LYS 215 HB2 0.03 0.06 0.16 -0.04 1.87 2.08 1htzE1 LYS 215 HB3 0.02 -0.11 0.17 -0.04 1.79 1.84 1htzE1 LYS 215 HG2 0.02 0.25 0.10 -0.04 1.46 1.79 1htzE1 LYS 215 HG3 0.02 -0.13 0.02 -0.04 1.46 1.33 1htzE1 LYS 215 HD2 0.01 -0.11 0.03 -0.04 1.69 1.58 1htzE1 LYS 215 HD3 0.01 0.09 -0.09 -0.04 1.68 1.64 1htzE1 LYS 215 HE2 0.01 -0.07 -0.00 -0.04 2.99 2.89 1htzE1 LYS 215 HE3 0.02 0.27 0.04 -0.04 2.99 3.28 1htzE1 VAL 216 H 0.02 0.16 0.00 -0.55 8.24 7.87 1htzE1 VAL 216 HA 0.01 0.26 1.11 -0.75 4.13 4.76 1htzE1 VAL 216 HB 0.01 -0.03 0.17 -0.04 2.12 2.23 1htzE1 VAL 216 HG13 0.08 0.03 -0.10 -0.04 0.97 0.94 1htzE1 VAL 216 HG23 0.03 0.02 -0.11 -0.04 0.95 0.85 1htzE1 ALA 217 H -0.00 0.27 -0.30 -0.55 8.40 7.83 1htzE1 ALA 217 HA -0.01 0.20 0.76 -0.75 4.34 4.54 1htzE1 ALA 217 HB3 -0.01 0.01 -0.05 -0.04 1.41 1.32 1htzE1 GLY 218 H -0.01 0.16 -0.17 -0.55 8.43 7.86 1htzE1 GLY 218 HA2 -0.02 0.10 0.28 -0.51 4.01 3.86 1htzE1 GLY 218 HA3 -0.01 0.10 0.24 -0.51 4.01 3.82 1htzE1 PRO 219 HA -0.02 0.17 0.51 -0.51 4.44 4.59 1htzE1 PRO 219 HB2 -0.01 0.00 0.04 -0.04 2.28 2.27 1htzE1 PRO 219 HB3 -0.01 0.02 0.03 -0.04 2.02 2.02 1htzE1 PRO 219 HG2 -0.01 0.04 -0.15 -0.04 2.03 1.87 1htzE1 PRO 219 HG3 -0.01 0.03 -0.04 -0.04 2.03 1.96 1htzE1 PRO 219 HD2 -0.01 0.00 -0.12 -0.04 3.68 3.51 1htzE1 PRO 219 HD3 -0.01 0.13 0.00 -0.04 3.65 3.73 1htzE1 LEU 220 H -0.02 0.25 -0.80 -0.55 8.37 7.26 1htzE1 LEU 220 HA -0.01 0.23 0.70 -0.75 4.35 4.51 1htzE1 LEU 220 HB2 -0.01 0.08 0.10 -0.04 1.64 1.76 1htzE1 LEU 220 HB3 -0.01 -0.02 0.07 -0.04 1.64 1.64 1htzE1 LEU 220 HG -0.01 -0.06 -0.19 -0.04 1.64 1.34 1htzE1 LEU 220 HD13 -0.01 0.01 -0.00 -0.04 0.93 0.88 1htzE1 LEU 220 HD23 -0.01 0.04 -0.21 -0.04 0.89 0.67 1htzE1 LEU 221 H -0.01 0.14 -0.00 -0.55 8.37 7.95 1htzE1 LEU 221 HA -0.02 0.10 0.24 -0.75 4.35 3.92 1htzE1 LEU 221 HB2 0.00 -0.00 -0.04 -0.04 1.64 1.55 1htzE1 LEU 221 HB3 0.01 0.05 -0.10 -0.04 1.64 1.56 1htzE1 LEU 221 HG 0.00 -0.06 -0.06 -0.04 1.64 1.48 1htzE1 LEU 221 HD13 0.04 0.02 -0.17 -0.04 0.93 0.77 1htzE1 LEU 221 HD23 0.04 0.02 -0.12 -0.04 0.89 0.79 1htzE1 ARG 222 H -0.02 0.11 -0.31 -0.55 8.46 7.68 1htzE1 ARG 222 HA -0.04 0.07 0.34 -0.75 4.34 3.94 1htzE1 ARG 222 HB2 -0.03 0.10 0.05 -0.04 1.90 1.98 1htzE1 ARG 222 HB3 -0.03 0.04 -0.06 -0.04 1.80 1.70 1htzE1 ARG 222 HG2 -0.04 0.06 -0.05 -0.04 1.67 1.61 1htzE1 ARG 222 HG3 -0.03 -0.12 -0.08 -0.04 1.67 1.40 1htzE1 ARG 222 HD2 -0.02 -0.01 -0.33 -0.04 3.22 2.82 1htzE1 ARG 222 HD3 -0.03 0.03 -0.14 -0.04 3.22 3.04 1htzE1 SER 223 H -0.03 0.27 -0.33 -0.55 8.46 7.82 1htzE1 SER 223 HA -0.04 0.05 0.35 -0.75 4.49 4.08 1htzE1 SER 223 HB2 -0.03 -0.09 0.07 -0.04 3.95 3.86 1htzE1 SER 223 HB3 -0.03 0.10 0.11 -0.04 3.93 4.07 1htzE1 ALA 224 H -0.07 0.31 -0.71 -0.55 8.40 7.38 1htzE1 ALA 224 HA -0.10 0.12 0.76 -0.75 4.34 4.37 1htzE1 ALA 224 HB3 -0.09 -0.01 -0.06 -0.04 1.41 1.21 1htzE1 LEU 225 H -0.12 0.29 -0.17 -0.55 8.37 7.83 1htzE1 LEU 225 HA -0.41 0.07 0.50 -0.75 4.35 3.75 1htzE1 LEU 225 HB2 -0.10 -0.03 0.01 -0.04 1.64 1.48 1htzE1 LEU 225 HB3 -0.08 0.04 0.09 -0.04 1.64 1.65 1htzE1 LEU 225 HG -0.06 0.13 -0.16 -0.04 1.64 1.50 1htzE1 LEU 225 HD13 -0.12 -0.02 -0.14 -0.04 0.93 0.62 1htzE1 LEU 225 HD23 0.04 -0.03 -0.33 -0.04 0.89 0.53 1htzE1 PRO 226 HA -0.12 0.07 0.54 -0.51 4.44 4.42 1htzE1 PRO 226 HB2 -0.04 0.05 0.04 -0.04 2.28 2.28 1htzE1 PRO 226 HB3 -0.19 0.02 0.07 -0.04 2.02 1.89 1htzE1 PRO 226 HG2 -0.98 -0.04 -0.00 -0.04 2.03 0.96 1htzE1 PRO 226 HG3 -0.65 0.02 0.04 -0.04 2.03 1.40 1htzE1 PRO 226 HD2 -1.31 0.01 0.19 -0.04 3.68 2.53 1htzE1 PRO 226 HD3 -0.64 0.32 0.23 -0.04 3.65 3.52 1htzE1 ALA 227 H -0.00 0.07 0.15 -0.55 8.40 8.07 1htzE1 ALA 227 HA 0.04 0.09 0.43 -0.75 4.34 4.15 1htzE1 ALA 227 HB3 0.02 0.00 0.10 -0.04 1.41 1.50 1htzE1 GLY 228 H 0.08 0.19 0.16 -0.55 8.43 8.31 1htzE1 GLY 228 HA2 0.04 -0.01 0.35 -0.51 4.01 3.89 1htzE1 GLY 228 HA3 0.08 0.16 0.78 -0.51 4.01 4.52 1htzE1 TRP 229 H 0.34 0.45 -0.26 -0.55 7.97 7.96 1htzE1 TRP 229 HA -0.07 -0.03 0.81 -0.75 4.62 4.58 1htzE1 TRP 229 HB2 -0.09 0.22 0.01 -0.04 3.23 3.33 1htzE1 TRP 229 HB3 -0.11 0.04 -0.08 -0.04 3.23 3.04 1htzE1 TRP 229 HD1 -0.10 0.09 -0.27 -0.04 7.22 6.89 1htzE1 TRP 229 HE1 -0.15 -0.01 -0.03 -0.04 10.20 9.96 1htzE1 TRP 229 HE3 -0.37 0.03 -0.21 -0.04 7.59 7.00 1htzE1 TRP 229 HZ2 -0.34 0.01 -0.00 -0.04 7.44 7.07 1htzE1 TRP 229 HZ3 -1.97 -0.00 -0.14 -0.04 7.13 4.98 1htzE1 TRP 229 HH2 -1.38 0.05 0.01 -0.04 7.19 5.83 1htzE1 PHE 230 H 0.17 0.61 0.20 -0.55 8.34 8.77 1htzE1 PHE 230 HA 0.04 0.15 0.75 -0.75 4.62 4.81 1htzE1 PHE 230 HB2 -0.03 0.06 -0.46 -0.04 3.15 2.68 1htzE1 PHE 230 HB3 -0.03 -0.02 -0.42 -0.04 3.06 2.55 1htzE1 PHE 230 HD2 0.02 -0.00 -0.34 -0.04 7.28 6.92 1htzE1 PHE 230 HE2 0.02 -0.01 -0.09 -0.04 7.38 7.26 1htzE1 PHE 230 HZ 0.01 -0.02 -0.09 -0.04 7.32 7.18 1htzE1 ILE 231 H -0.60 0.28 0.14 -0.55 8.25 7.52 1htzE1 ILE 231 HA 0.10 0.23 0.74 -0.75 4.18 4.49 1htzE1 ILE 231 HB 0.05 0.04 -0.23 -0.04 1.89 1.71 1htzE1 ILE 231 HG12 -0.02 -0.03 -0.42 -0.04 1.49 0.99 1htzE1 ILE 231 HG13 0.06 0.02 -0.13 -0.04 1.21 1.12 1htzE1 ILE 231 HG23 -0.09 0.01 -0.05 -0.04 0.93 0.76 1htzE1 ILE 231 HD13 0.01 -0.02 -0.23 -0.04 0.88 0.60 1htzE1 ALA 232 H 0.08 0.58 0.25 -0.55 8.40 8.76 1htzE1 ALA 232 HA -0.09 0.21 0.52 -0.75 4.34 4.23 1htzE1 ALA 232 HB3 0.13 -0.02 0.07 -0.04 1.41 1.55 1htzE1 ASP 233 H -0.00 0.50 0.10 -0.55 8.40 8.44 1htzE1 ASP 233 HA 0.03 0.22 1.02 -0.75 4.63 5.14 1htzE1 ASP 233 HB2 0.00 -0.01 0.12 -0.04 2.71 2.78 1htzE1 ASP 233 HB3 0.02 -0.04 -0.21 -0.04 2.70 2.42 1htzE1 LYS 234 H 0.00 0.51 0.33 -0.55 8.42 8.71 1htzE1 LYS 234 HA 0.00 0.12 0.73 -0.75 4.32 4.42 1htzE1 LYS 234 HB2 0.01 0.07 -0.17 -0.04 1.87 1.75 1htzE1 LYS 234 HB3 0.01 -0.08 0.11 -0.04 1.79 1.79 1htzE1 LYS 234 HG2 -0.03 -0.14 -0.01 -0.04 1.46 1.24 1htzE1 LYS 234 HG3 -0.00 -0.03 -0.21 -0.04 1.46 1.18 1htzE1 LYS 234 HD2 -0.00 -0.15 0.22 -0.04 1.69 1.71 1htzE1 LYS 234 HD3 -0.02 0.15 0.19 -0.04 1.68 1.95 1htzE1 LYS 234 HE2 -0.07 0.02 0.16 -0.04 2.99 3.05 1htzE1 LYS 234 HE3 -0.05 0.11 -0.01 -0.04 2.99 3.00 1htzE1 SER 235 H 0.00 0.18 0.14 -0.55 8.46 8.23 1htzE1 SER 235 HA -0.00 0.30 1.15 -0.75 4.49 5.19 1htzE1 SER 235 HB2 -0.00 0.08 0.25 -0.04 3.95 4.24 1htzE1 SER 235 HB3 -0.01 -0.08 0.07 -0.04 3.93 3.86 1htzE1 GLY 236 H 0.03 0.59 0.41 -0.55 8.43 8.92 1htzE1 GLY 236 HA2 0.05 0.09 0.69 -0.51 4.01 4.33 1htzE1 GLY 236 HA3 0.10 -0.05 0.36 -0.51 4.01 3.91 1htzE1 ALA 237 H 0.05 0.20 0.27 -0.55 8.40 8.37 1htzE1 ALA 237 HA 0.05 0.29 0.66 -0.75 4.34 4.59 1htzE1 ALA 237 HB3 0.00 0.03 0.01 -0.04 1.41 1.41 1htzE1 SER 238 H 0.04 0.49 0.17 -0.55 8.46 8.62 1htzE1 SER 238 HA 0.03 0.17 0.88 -0.75 4.49 4.81 1htzE1 SER 238 HB2 0.03 0.19 0.14 -0.04 3.95 4.27 1htzE1 SER 238 HB3 0.05 0.01 -0.13 -0.04 3.93 3.81 1htzE1 GLU 240 H 0.02 0.25 0.18 -0.55 8.60 8.50 1htzE1 GLU 240 HA 0.01 0.11 0.56 -0.75 4.29 4.21 1htzE1 GLU 240 HB2 0.01 0.04 0.16 -0.04 2.09 2.26 1htzE1 GLU 240 HB3 0.01 0.03 0.09 -0.04 1.99 2.08 1htzE1 GLU 240 HG2 0.02 -0.00 0.08 -0.04 2.34 2.39 1htzE1 GLU 240 HG3 0.01 0.01 0.05 -0.04 2.34 2.37 1htzE1 ARG 241 H 0.02 0.13 -0.05 -0.55 8.46 8.01 1htzE1 ARG 241 HA 0.02 0.15 0.52 -0.75 4.34 4.27 1htzE1 ARG 241 HB2 0.02 0.03 0.16 -0.04 1.90 2.07 1htzE1 ARG 241 HB3 0.02 0.06 0.23 -0.04 1.80 2.07 1htzE1 ARG 241 HG2 0.01 -0.02 0.04 -0.04 1.67 1.67 1htzE1 ARG 241 HG3 0.02 -0.12 0.09 -0.04 1.67 1.62 1htzE1 ARG 241 HD2 0.01 -0.05 0.02 -0.04 3.22 3.17 1htzE1 ARG 241 HD3 0.01 0.22 0.07 -0.04 3.22 3.48 1htzE1 GLY 242 H 0.02 0.32 -0.86 -0.55 8.43 7.36 1htzE1 GLY 242 HA2 0.02 0.06 0.35 -0.51 4.01 3.94 1htzE1 GLY 242 HA3 0.03 0.08 0.56 -0.51 4.01 4.16 1htzE1 SER 243 H 0.05 0.03 -0.47 -0.55 8.46 7.52 1htzE1 SER 243 HA 0.09 -0.06 0.34 -0.75 4.49 4.10 1htzE1 SER 243 HB2 0.07 -0.15 -0.04 -0.04 3.95 3.78 1htzE1 SER 243 HB3 0.11 0.11 0.02 -0.04 3.93 4.13 1htzE1 ARG 244 H 0.12 0.25 0.30 -0.55 8.46 8.58 1htzE1 ARG 244 HA 0.07 0.23 0.82 -0.75 4.34 4.70 1htzE1 ARG 244 HB2 0.04 0.09 -0.08 -0.04 1.90 1.91 1htzE1 ARG 244 HB3 0.05 -0.06 -0.02 -0.04 1.80 1.73 1htzE1 ARG 244 HG2 0.01 -0.02 -0.11 -0.04 1.67 1.51 1htzE1 ARG 244 HG3 0.01 -0.01 -0.27 -0.04 1.67 1.37 1htzE1 ARG 244 HD2 0.01 0.00 0.12 -0.04 3.22 3.31 1htzE1 ARG 244 HD3 0.03 0.34 0.42 -0.04 3.22 3.96 1htzE1 GLY 245 H 0.05 0.49 0.40 -0.55 8.43 8.82 1htzE1 GLY 245 HA2 -0.11 0.38 0.91 -0.51 4.01 4.68 1htzE1 GLY 245 HA3 0.12 0.01 0.39 -0.51 4.01 4.01 1htzE1 ILE 246 H -0.43 0.53 0.36 -0.55 8.25 8.15 1htzE1 ILE 246 HA -0.08 0.29 0.80 -0.75 4.18 4.44 1htzE1 ILE 246 HB -0.05 0.06 -0.05 -0.04 1.89 1.80 1htzE1 ILE 246 HG12 -0.04 0.07 -0.34 -0.04 1.49 1.14 1htzE1 ILE 246 HG13 -0.03 0.02 -0.08 -0.04 1.21 1.09 1htzE1 ILE 246 HG23 -0.08 -0.01 -0.06 -0.04 0.93 0.74 1htzE1 ILE 246 HD13 -0.01 -0.02 -0.08 -0.04 0.88 0.73 1htzE1 ILE 247 H -0.05 0.55 0.42 -0.55 8.25 8.62 1htzE1 ILE 247 HA -0.09 0.27 1.10 -0.75 4.18 4.70 1htzE1 ILE 247 HB 0.00 0.02 0.06 -0.04 1.89 1.94 1htzE1 ILE 247 HG12 0.01 0.08 0.22 -0.04 1.49 1.76 1htzE1 ILE 247 HG13 0.02 -0.01 -0.05 -0.04 1.21 1.13 1htzE1 ILE 247 HG23 -0.03 -0.02 -0.11 -0.04 0.93 0.73 1htzE1 ILE 247 HD13 0.05 -0.00 -0.03 -0.04 0.88 0.85 1htzE1 ALA 248 H -0.00 0.38 0.35 -0.55 8.40 8.59 1htzE1 ALA 248 HA 0.05 0.27 0.80 -0.75 4.34 4.70 1htzE1 ALA 248 HB3 0.05 -0.00 -0.14 -0.04 1.41 1.27 1htzE1 ALA 249 H 0.13 0.67 0.37 -0.55 8.40 9.02 1htzE1 ALA 249 HA 0.14 0.32 1.05 -0.75 4.34 5.09 1htzE1 ALA 249 HB3 0.16 -0.02 0.08 -0.04 1.41 1.59 1htzE1 LEU 250 H 0.25 0.64 0.38 -0.55 8.37 9.09 1htzE1 LEU 250 HA 0.40 0.27 0.78 -0.75 4.35 5.04 1htzE1 LEU 250 HB2 0.28 0.18 0.20 -0.04 1.64 2.26 1htzE1 LEU 250 HB3 0.21 -0.11 -0.22 -0.04 1.64 1.49 1htzE1 LEU 250 HG 0.47 0.02 -0.27 -0.04 1.64 1.81 1htzE1 LEU 250 HD13 0.22 -0.01 -0.17 -0.04 0.93 0.93 1htzE1 LEU 250 HD23 0.36 -0.00 -0.14 -0.04 0.89 1.07 1htzE1 GLY 251 H 0.23 0.55 0.28 -0.55 8.43 8.94 1htzE1 GLY 251 HA2 -0.37 0.03 0.44 -0.51 4.01 3.59 1htzE1 GLY 251 HA3 -0.08 0.19 0.64 -0.51 4.01 4.25 1htzE1 PRO 252 HA -2.15 0.07 0.63 -0.51 4.44 2.49 1htzE1 PRO 252 HB2 -0.96 -0.01 0.09 -0.04 2.28 1.36 1htzE1 PRO 252 HB3 -2.60 0.05 0.10 -0.04 2.02 -0.47 1htzE1 PRO 252 HG2 -0.51 0.05 -0.03 -0.04 2.03 1.50 1htzE1 PRO 252 HG3 -0.67 0.05 0.06 -0.04 2.03 1.42 1htzE1 PRO 252 HD2 -0.40 0.12 0.25 -0.04 3.68 3.61 1htzE1 PRO 252 HD3 -2.07 0.13 0.16 -0.04 3.65 1.82 1htzE1 ASP 254 H -0.58 0.13 0.12 -0.55 8.40 7.53 1htzE1 ASP 254 HA -0.20 0.02 0.37 -0.75 4.63 4.07 1htzE1 ASP 254 HB2 -0.20 0.17 0.11 -0.04 2.71 2.75 1htzE1 ASP 254 HB3 -0.14 -0.02 0.18 -0.04 2.70 2.68 1htzE1 GLY 255 H -0.16 0.48 0.07 -0.55 8.43 8.28 1htzE1 GLY 255 HA2 0.06 -0.01 0.12 -0.51 4.01 3.68 1htzE1 GLY 255 HA3 -0.01 -0.02 0.29 -0.51 4.01 3.76 1htzE1 LYS 256 H -0.17 0.39 -0.66 -0.55 8.42 7.44 1htzE1 LYS 256 HA -0.39 0.18 0.86 -0.75 4.32 4.21 1htzE1 LYS 256 HB2 -0.15 0.01 -0.06 -0.04 1.87 1.63 1htzE1 LYS 256 HB3 -0.19 0.03 -0.05 -0.04 1.79 1.54 1htzE1 LYS 256 HG2 -0.15 0.05 -0.11 -0.04 1.46 1.21 1htzE1 LYS 256 HG3 -0.11 0.13 -0.27 -0.04 1.46 1.17 1htzE1 LYS 256 HD2 -0.11 -0.02 -0.03 -0.04 1.69 1.49 1htzE1 LYS 256 HD3 -0.08 -0.06 -0.04 -0.04 1.68 1.46 1htzE1 LYS 256 HE2 -0.09 0.05 -0.01 -0.04 2.99 2.90 1htzE1 LYS 256 HE3 -0.10 0.01 -0.05 -0.04 2.99 2.82 1htzE1 PRO 257 HA 0.03 0.01 -0.07 -0.51 4.44 3.89 1htzE1 PRO 257 HB2 -0.03 -0.02 -0.16 -0.04 2.28 2.03 1htzE1 PRO 257 HB3 -0.10 0.06 -0.24 -0.04 2.02 1.70 1htzE1 PRO 257 HG2 -0.27 0.03 0.04 -0.04 2.03 1.79 1htzE1 PRO 257 HG3 -0.53 0.04 -0.02 -0.04 2.03 1.48 1htzE1 PRO 257 HD2 -0.59 0.10 0.17 -0.04 3.68 3.32 1htzE1 PRO 257 HD3 -2.10 0.13 0.03 -0.04 3.65 1.67 1htzE1 SER 258 H 0.17 0.66 0.37 -0.55 8.46 9.12 1htzE1 SER 258 HA 0.04 0.12 0.78 -0.75 4.49 4.67 1htzE1 SER 258 HB2 0.10 -0.11 0.22 -0.04 3.95 4.12 1htzE1 SER 258 HB3 0.05 0.10 -0.12 -0.04 3.93 3.92 1htzE1 ARG 259 H 0.21 0.31 0.39 -0.55 8.46 8.81 1htzE1 ARG 259 HA 0.07 0.10 0.94 -0.75 4.34 4.70 1htzE1 ARG 259 HB2 0.17 0.00 -0.26 -0.04 1.90 1.77 1htzE1 ARG 259 HB3 0.39 -0.02 0.01 -0.04 1.80 2.15 1htzE1 ARG 259 HG2 -0.00 0.04 0.01 -0.04 1.67 1.67 1htzE1 ARG 259 HG3 -0.07 0.05 0.04 -0.04 1.67 1.66 1htzE1 ARG 259 HD2 -0.38 -0.01 -0.09 -0.04 3.22 2.69 1htzE1 ARG 259 HD3 -0.26 -0.05 -0.08 -0.04 3.22 2.79 1htzE1 ILE 260 H 0.03 0.61 0.36 -0.55 8.25 8.70 1htzE1 ILE 260 HA 0.07 0.37 1.16 -0.75 4.18 5.02 1htzE1 ILE 260 HB 0.00 -0.09 0.10 -0.04 1.89 1.86 1htzE1 ILE 260 HG12 0.04 -0.07 -0.19 -0.04 1.49 1.22 1htzE1 ILE 260 HG13 0.02 0.03 -0.08 -0.04 1.21 1.14 1htzE1 ILE 260 HG23 0.00 0.01 -0.10 -0.04 0.93 0.80 1htzE1 ILE 260 HD13 0.05 0.02 -0.10 -0.04 0.88 0.80 1htzE1 VAL 261 H 0.01 0.61 0.39 -0.55 8.24 8.71 1htzE1 VAL 261 HA -0.16 0.36 1.16 -0.75 4.13 4.74 1htzE1 VAL 261 HB 0.03 -0.05 0.03 -0.04 2.12 2.09 1htzE1 VAL 261 HG13 -0.12 -0.00 -0.20 -0.04 0.97 0.60 1htzE1 VAL 261 HG23 0.08 -0.00 -0.27 -0.04 0.95 0.72 1htzE1 VAL 262 H -0.27 0.52 0.34 -0.55 8.24 8.28 1htzE1 VAL 262 HA -0.19 0.32 1.19 -0.75 4.13 4.70 1htzE1 VAL 262 HB -0.11 -0.03 0.11 -0.04 2.12 2.05 1htzE1 VAL 262 HG13 -0.17 -0.01 -0.18 -0.04 0.97 0.58 1htzE1 VAL 262 HG23 -0.04 -0.02 -0.18 -0.04 0.95 0.66 1htzE1 ILE 263 H -0.37 0.58 0.34 -0.55 8.25 8.25 1htzE1 ILE 263 HA -0.11 0.43 1.09 -0.75 4.18 4.84 1htzE1 ILE 263 HB -0.09 -0.08 0.07 -0.04 1.89 1.75 1htzE1 ILE 263 HG12 0.28 0.07 -0.14 -0.04 1.49 1.67 1htzE1 ILE 263 HG13 -0.05 -0.09 -0.48 -0.04 1.21 0.55 1htzE1 ILE 263 HG23 0.04 0.02 -0.10 -0.04 0.93 0.85 1htzE1 ILE 263 HD13 0.16 -0.01 -0.13 -0.04 0.88 0.86 1htzE1 TYR 264 H -0.19 0.52 0.36 -0.55 8.29 8.43 1htzE1 TYR 264 HA -0.11 0.33 1.08 -0.75 4.56 5.11 1htzE1 TYR 264 HB2 -1.04 -0.08 0.00 -0.04 3.06 1.90 1htzE1 TYR 264 HB3 -0.36 0.08 -0.01 -0.04 2.98 2.64 1htzE1 TYR 264 HD2 -0.11 0.04 -0.12 -0.04 7.15 6.92 1htzE1 TYR 264 HE2 0.02 0.00 -0.18 -0.04 6.85 6.65 1htzE1 THR 265 H 0.16 0.50 0.43 -0.55 8.28 8.81 1htzE1 THR 265 HA 0.18 0.45 1.17 -0.75 4.39 5.44 1htzE1 THR 265 HB 0.11 0.04 0.04 -0.04 4.32 4.46 1htzE1 THR 265 HG23 0.05 0.03 -0.21 -0.04 1.22 1.05 1htzE1 THR 266 H 0.22 0.43 0.25 -0.55 8.28 8.63 1htzE1 THR 266 HA 0.19 0.14 0.72 -0.75 4.39 4.68 1htzE1 THR 266 HB 0.05 0.05 0.29 -0.04 4.32 4.67 1htzE1 THR 266 HG23 0.09 0.03 0.04 -0.04 1.22 1.34 1htzE1 GLY 267 H 0.10 -0.03 -0.44 -0.55 8.43 7.51 1htzE1 GLY 267 HA2 0.06 -0.13 -0.38 -0.51 4.01 3.05 1htzE1 GLY 267 HA3 0.05 0.27 0.59 -0.51 4.01 4.42 1htzE1 SER 268 H 0.04 0.19 0.22 -0.55 8.46 8.36 1htzE1 SER 268 HA 0.03 0.19 0.66 -0.75 4.49 4.61 1htzE1 SER 268 HB2 0.03 0.20 0.26 -0.04 3.95 4.40 1htzE1 SER 268 HB3 0.04 0.02 -0.44 -0.04 3.93 3.50 1htzE1 GLN 269 H 0.02 0.25 0.19 -0.55 8.47 8.38 1htzE1 GLN 269 HA 0.01 0.17 0.72 -0.75 4.36 4.50 1htzE1 GLN 269 HB2 0.01 0.02 0.07 -0.04 2.15 2.21 1htzE1 GLN 269 HB3 0.01 -0.04 0.16 -0.04 2.02 2.11 1htzE1 GLN 269 HG2 0.01 0.01 -0.02 -0.04 2.40 2.36 1htzE1 GLN 269 HG3 0.02 -0.01 -0.04 -0.04 2.39 2.32 1htzE1 GLN 269 HE21 0.01 -0.02 0.02 -0.04 6.97 6.93 1htzE1 GLN 269 HE22 0.01 0.02 0.01 -0.04 7.69 7.69 1htzE1 ALA 270 H 0.02 0.08 -0.17 -0.55 8.40 7.78 1htzE1 ALA 270 HA 0.01 0.03 0.47 -0.75 4.34 4.09 1htzE1 ALA 270 HB3 0.01 0.03 0.04 -0.04 1.41 1.45 1htzE1 THR 271 H 0.01 0.07 0.18 -0.55 8.28 7.99 1htzE1 THR 271 HA 0.00 0.19 0.44 -0.75 4.39 4.27 1htzE1 THR 271 HB 0.00 -0.04 0.17 -0.04 4.32 4.41 1htzE1 THR 271 HG23 0.00 0.05 0.12 -0.04 1.22 1.35 1htzE1 MET 272 H 0.00 0.18 0.20 -0.55 8.47 8.30 1htzE1 MET 272 HA 0.00 0.17 0.40 -0.75 4.52 4.34 1htzE1 MET 272 HB2 -0.00 0.08 0.17 -0.04 2.15 2.35 1htzE1 MET 272 HB3 -0.00 -0.06 0.15 -0.04 2.03 2.07 1htzE1 MET 272 HG2 -0.01 0.02 0.01 -0.04 2.63 2.60 1htzE1 MET 272 HG3 -0.01 -0.02 -0.17 -0.04 2.56 2.32 1htzE1 MET 272 HE3 -0.01 0.01 0.02 -0.04 2.10 2.08 1htzE1 ASP 273 H -0.00 0.07 -0.15 -0.55 8.40 7.78 1htzE1 ASP 273 HA -0.01 0.11 0.39 -0.75 4.63 4.37 1htzE1 ASP 273 HB2 -0.00 -0.04 0.05 -0.04 2.71 2.68 1htzE1 ASP 273 HB3 -0.00 0.07 -0.01 -0.04 2.70 2.72 1htzE1 GLU 274 H 0.00 0.07 -0.39 -0.55 8.60 7.73 1htzE1 GLU 274 HA -0.00 0.07 0.42 -0.75 4.29 4.02 1htzE1 GLU 274 HB2 0.00 -0.08 0.07 -0.04 2.09 2.04 1htzE1 GLU 274 HB3 0.00 0.09 0.03 -0.04 1.99 2.07 1htzE1 GLU 274 HG2 0.00 0.02 -0.01 -0.04 2.34 2.32 1htzE1 GLU 274 HG3 0.00 0.06 -0.19 -0.04 2.34 2.17 1htzE1 ARG 275 H 0.00 0.56 -0.20 -0.55 8.46 8.27 1htzE1 ARG 275 HA 0.01 0.04 0.34 -0.75 4.34 3.98 1htzE1 ARG 275 HB2 0.01 0.07 0.12 -0.04 1.90 2.05 1htzE1 ARG 275 HB3 0.01 -0.03 -0.10 -0.04 1.80 1.64 1htzE1 ARG 275 HG2 0.02 0.14 -0.02 -0.04 1.67 1.77 1htzE1 ARG 275 HG3 0.02 -0.06 -0.04 -0.04 1.67 1.55 1htzE1 ARG 275 HD2 0.02 -0.06 -0.12 -0.04 3.22 3.02 1htzE1 ARG 275 HD3 0.01 -0.08 -0.29 -0.04 3.22 2.82 1htzE1 ASN 276 H -0.00 0.51 -0.16 -0.55 8.53 8.34 1htzE1 ASN 276 HA -0.00 -0.02 0.34 -0.75 4.76 4.32 1htzE1 ASN 276 HB2 -0.01 0.05 0.12 -0.04 2.88 3.00 1htzE1 ASN 276 HB3 -0.01 0.12 -0.07 -0.04 2.79 2.80 1htzE1 ASN 276 HD21 -0.01 -0.06 -0.09 -0.04 7.03 6.82 1htzE1 ASN 276 HD22 -0.01 -0.04 -0.07 -0.04 7.74 7.58 1htzE1 ARG 277 H -0.01 0.52 -0.15 -0.55 8.46 8.27 1htzE1 ARG 277 HA -0.01 0.02 0.34 -0.75 4.34 3.94 1htzE1 ARG 277 HB2 -0.01 0.15 0.17 -0.04 1.90 2.17 1htzE1 ARG 277 HB3 -0.01 0.10 0.08 -0.04 1.80 1.93 1htzE1 ARG 277 HG2 -0.01 -0.02 -0.08 -0.04 1.67 1.52 1htzE1 ARG 277 HG3 -0.01 -0.01 0.04 -0.04 1.67 1.64 1htzE1 ARG 277 HD2 -0.01 -0.01 -0.03 -0.04 3.22 3.14 1htzE1 ARG 277 HD3 -0.01 -0.02 -0.03 -0.04 3.22 3.12 1htzE1 GLN 278 H -0.00 0.45 -0.42 -0.55 8.47 7.95 1htzE1 GLN 278 HA -0.01 -0.00 0.37 -0.75 4.36 3.96 1htzE1 GLN 278 HB2 0.00 0.19 0.08 -0.04 2.15 2.38 1htzE1 GLN 278 HB3 -0.01 -0.07 -0.02 -0.04 2.02 1.88 1htzE1 GLN 278 HG2 -0.00 0.26 0.04 -0.04 2.40 2.66 1htzE1 GLN 278 HG3 0.00 -0.01 -0.03 -0.04 2.39 2.32 1htzE1 GLN 278 HE21 -0.01 -0.03 -0.07 -0.04 6.97 6.82 1htzE1 GLN 278 HE22 -0.01 0.04 -0.06 -0.04 7.69 7.63 1htzE1 ILE 279 H -0.00 0.46 -0.15 -0.55 8.25 8.01 1htzE1 ILE 279 HA 0.00 0.02 0.40 -0.75 4.18 3.84 1htzE1 ILE 279 HB -0.00 0.17 0.12 -0.04 1.89 2.13 1htzE1 ILE 279 HG12 0.00 0.22 0.01 -0.04 1.49 1.68 1htzE1 ILE 279 HG13 -0.00 -0.05 -0.09 -0.04 1.21 1.03 1htzE1 ILE 279 HG23 -0.00 -0.03 -0.19 -0.04 0.93 0.67 1htzE1 ILE 279 HD13 0.00 -0.01 -0.15 -0.04 0.88 0.68 1htzE1 ALA 280 H -0.01 0.63 -0.12 -0.55 8.40 8.36 1htzE1 ALA 280 HA -0.02 0.03 0.15 -0.75 4.34 3.74 1htzE1 ALA 280 HB3 -0.02 0.08 -0.01 -0.04 1.41 1.42 1htzE1 GLU 281 H -0.02 0.56 -0.24 -0.55 8.60 8.36 1htzE1 GLU 281 HA -0.03 0.01 0.42 -0.75 4.29 3.94 1htzE1 GLU 281 HB2 -0.02 0.12 0.10 -0.04 2.09 2.24 1htzE1 GLU 281 HB3 -0.02 -0.06 -0.03 -0.04 1.99 1.83 1htzE1 GLU 281 HG2 -0.02 -0.05 -0.01 -0.04 2.34 2.21 1htzE1 GLU 281 HG3 -0.02 0.16 0.01 -0.04 2.34 2.45 1htzE1 ILE 282 H -0.02 0.47 -0.30 -0.55 8.25 7.85 1htzE1 ILE 282 HA -0.05 -0.01 0.37 -0.75 4.18 3.74 1htzE1 ILE 282 HB 0.01 0.15 0.10 -0.04 1.89 2.11 1htzE1 ILE 282 HG12 -0.10 -0.08 -0.18 -0.04 1.49 1.09 1htzE1 ILE 282 HG13 -0.04 0.41 0.08 -0.04 1.21 1.62 1htzE1 ILE 282 HG23 -0.06 -0.02 -0.18 -0.04 0.93 0.62 1htzE1 ILE 282 HD13 -0.03 -0.04 -0.09 -0.04 0.88 0.68 1htzE1 GLY 283 H 0.01 0.59 -0.23 -0.55 8.43 8.25 1htzE1 GLY 283 HA2 0.06 -0.02 0.30 -0.51 4.01 3.84 1htzE1 GLY 283 HA3 0.00 0.07 0.23 -0.51 4.01 3.80 1htzE1 ALA 284 H -0.03 0.67 -0.13 -0.55 8.40 8.36 1htzE1 ALA 284 HA -0.10 0.07 0.38 -0.75 4.34 3.94 1htzE1 ALA 284 HB3 -0.05 0.03 0.08 -0.04 1.41 1.42 1htzE1 SER 285 H -0.00 0.52 -0.34 -0.55 8.46 8.09 1htzE1 SER 285 HA 0.05 -0.02 0.39 -0.75 4.49 4.15 1htzE1 SER 285 HB2 0.02 -0.00 0.07 -0.04 3.95 4.00 1htzE1 SER 285 HB3 0.01 0.17 0.13 -0.04 3.93 4.21 1htzE1 LEU 286 H 0.06 0.54 -0.20 -0.55 8.37 8.22 1htzE1 LEU 286 HA 0.16 -0.02 0.29 -0.75 4.35 4.03 1htzE1 LEU 286 HB2 0.19 -0.06 0.00 -0.04 1.64 1.73 1htzE1 LEU 286 HB3 0.14 0.20 0.16 -0.04 1.64 2.10 1htzE1 LEU 286 HG 0.49 0.02 -0.37 -0.04 1.64 1.74 1htzE1 LEU 286 HD13 0.18 -0.02 -0.08 -0.04 0.93 0.97 1htzE1 LEU 286 HD23 0.26 -0.02 -0.13 -0.04 0.89 0.95 1htzE1 ILE 287 H 0.01 0.55 -0.25 -0.55 8.25 8.02 1htzE1 ILE 287 HA 0.09 0.01 0.41 -0.75 4.18 3.93 1htzE1 ILE 287 HB -0.21 0.08 0.16 -0.04 1.89 1.87 1htzE1 ILE 287 HG12 -0.19 0.25 -0.08 -0.04 1.49 1.42 1htzE1 ILE 287 HG13 -0.50 0.14 -0.10 -0.04 1.21 0.71 1htzE1 ILE 287 HG23 -0.64 -0.02 -0.11 -0.04 0.93 0.13 1htzE1 ILE 287 HD13 -0.80 -0.04 -0.13 -0.04 0.88 -0.14 1htzE1 LYS 288 H -0.08 0.65 0.03 -0.55 8.42 8.47 1htzE1 LYS 288 HA -0.11 -0.02 0.36 -0.75 4.32 3.79 1htzE1 LYS 288 HB2 -0.15 0.03 0.14 -0.04 1.87 1.84 1htzE1 LYS 288 HB3 -0.24 0.06 0.15 -0.04 1.79 1.71 1htzE1 LYS 288 HG2 -0.83 -0.01 -0.24 -0.04 1.46 0.34 1htzE1 LYS 288 HG3 -0.25 -0.05 0.04 -0.04 1.46 1.17 1htzE1 LYS 288 HD2 -0.13 0.00 -0.02 -0.04 1.69 1.50 1htzE1 LYS 288 HD3 -0.21 -0.01 -0.04 -0.04 1.68 1.38 1htzE1 LYS 288 HE2 -0.19 -0.02 -0.04 -0.04 2.99 2.70 1htzE1 LYS 288 HE3 -0.12 -0.01 -0.02 -0.04 2.99 2.80 1htzE1 HIS 289 H 0.02 0.52 -0.40 -0.55 8.41 8.00 1htzE1 HIS 289 HA -0.09 0.12 0.82 -0.75 4.63 4.73 1htzE1 HIS 289 HB2 -0.25 0.12 0.02 -0.04 3.26 3.12 1htzE1 HIS 289 HB3 -0.89 -0.09 0.16 -0.04 3.20 2.34 1htzE1 HIS 289 HD2 -0.10 0.15 -0.04 -0.04 6.97 6.94 1htzE1 HIS 289 HE1 -0.05 -0.03 -0.04 -0.04 7.75 7.59 1htzE1 TRP 290 H 0.34 0.60 -0.47 -0.55 7.97 7.88 1htzE1 TRP 290 HA 0.15 0.09 0.15 -0.75 4.62 4.26 1htzE1 TRP 290 HB2 0.31 0.19 0.20 -0.04 3.23 3.88 1htzE1 TRP 290 HB3 0.23 -0.06 0.05 -0.04 3.23 3.41 1htzE1 TRP 290 HD1 0.09 -0.03 0.03 -0.04 7.22 7.27 1htzE1 TRP 290 HE1 -0.03 -0.03 0.04 -0.04 10.20 10.14 1htzE1 TRP 290 HE3 0.27 0.21 -0.12 -0.04 7.59 7.91 1htzE1 TRP 290 HZ2 0.04 -0.03 0.02 -0.04 7.44 7.42 1htzE1 TRP 290 HZ3 0.26 -0.03 -0.17 -0.04 7.13 7.14 1htzE1 TRP 290 HH2 0.19 0.01 -0.17 -0.04 7.19 7.19