============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 12 1.040 128.177-105.804 13.553 -99.200 -91.000 TRP6 12 1.020 128.466-105.643 11.200 -99.200 -91.000 PHE 15 1.000 129.180-104.880 20.571 -99.200 -91.000 TYR 27 0.840 134.187 -94.331 30.222 -99.200 -91.000 PHE 28 1.000 142.824 -99.021 26.689 -99.200 -91.000 PHE 41 1.000 127.256-108.586 17.585 -99.200 -91.000 TYR 45 0.840 128.858-110.653 21.817 -99.200 -91.000 PHE 59 1.000 130.785-102.994 26.092 -99.200 -91.000 PHE 71 1.000 137.127 -84.868 31.029 -99.200 -91.000 TRP 78 1.040 127.075-102.772 33.656 -99.200 -91.000 TRP6 78 1.020 128.247-104.710 32.963 -99.200 -91.000 PHE 81 1.000 124.381-103.927 24.790 -99.200 -91.000 PHE 95 1.000 122.018-101.112 34.337 -99.200 -91.000 HIS 98 0.900 126.652-105.232 37.796 -99.200 -91.000 PHE 104 1.000 130.349-100.819 37.475 -99.200 -91.000 PHE 109 1.000 118.832-101.958 30.849 -99.200 -91.000 TYR 111 0.840 114.752 -98.142 25.647 -99.200 -91.000 PHE 134 1.000 122.326 -93.380 25.136 -99.200 -91.000 HIS 145 0.900 130.626 -92.022 13.313 -99.200 -91.000 HIS 146 0.900 124.007 -86.023 8.395 -99.200 -91.000 HIS 152 0.900 128.630 -81.239 19.179 -99.200 -91.000 TYR 167 0.840 135.710 -65.621 24.585 -99.200 -91.000 TYR 186 0.840 128.421 -90.367 20.263 -99.200 -91.000 TYR 207 0.840 132.686 -69.400 15.195 -99.200 -91.000 TYR 210 0.840 134.135 -72.041 23.607 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hozE1 ASP 2 HA 0.00 -0.00 0.18 -0.75 4.63 4.06 3hozE1 ASP 2 HB2 0.01 -0.02 0.06 -0.04 2.71 2.71 3hozE1 ASP 2 HB3 0.00 -0.01 0.03 -0.04 2.70 2.68 3hozE1 GLN 3 H 0.01 0.18 0.10 -0.55 8.47 8.21 3hozE1 GLN 3 HA 0.01 0.06 0.34 -0.75 4.36 4.01 3hozE1 GLN 3 HB2 0.01 -0.14 0.20 -0.04 2.15 2.18 3hozE1 GLN 3 HB3 0.01 0.09 0.05 -0.04 2.02 2.12 3hozE1 GLN 3 HG2 0.01 0.10 -0.82 -0.04 2.40 1.64 3hozE1 GLN 3 HG3 0.01 -0.24 -0.01 -0.04 2.39 2.12 3hozE1 GLN 3 HE21 0.01 0.00 -0.06 -0.04 6.97 6.88 3hozE1 GLN 3 HE22 0.00 0.06 -0.14 -0.04 7.69 7.58 3hozE1 GLU 4 H 0.01 0.19 0.13 -0.55 8.60 8.39 3hozE1 GLU 4 HA 0.02 0.15 0.98 -0.75 4.29 4.69 3hozE1 GLU 4 HB2 0.02 0.05 0.18 -0.04 2.09 2.29 3hozE1 GLU 4 HB3 0.02 -0.01 0.23 -0.04 1.99 2.20 3hozE1 GLU 4 HG2 0.01 -0.04 -0.09 -0.04 2.34 2.19 3hozE1 GLU 4 HG3 0.02 0.05 0.02 -0.04 2.34 2.38 3hozE1 ASN 5 H 0.02 0.50 -0.08 -0.55 8.53 8.42 3hozE1 ASN 5 HA 0.03 0.13 0.76 -0.75 4.76 4.93 3hozE1 ASN 5 HB2 0.02 -0.03 0.02 -0.04 2.88 2.85 3hozE1 ASN 5 HB3 0.01 0.18 -0.02 -0.04 2.79 2.92 3hozE1 ASN 5 HD21 0.02 0.04 0.04 -0.04 7.03 7.09 3hozE1 ASN 5 HD22 0.03 -0.12 0.19 -0.04 7.74 7.80 3hozE1 GLU 6 H 0.02 0.10 -0.03 -0.55 8.60 8.14 3hozE1 GLU 6 HA 0.02 0.16 0.46 -0.75 4.29 4.18 3hozE1 GLU 6 HB2 0.02 0.23 0.07 -0.04 2.09 2.37 3hozE1 GLU 6 HB3 0.03 -0.07 0.08 -0.04 1.99 1.99 3hozE1 GLU 6 HG2 0.01 0.03 0.01 -0.04 2.34 2.35 3hozE1 GLU 6 HG3 0.02 -0.04 -0.04 -0.04 2.34 2.23 3hozE1 ARG 7 H 0.04 0.11 -0.11 -0.55 8.46 7.94 3hozE1 ARG 7 HA 0.08 0.09 0.43 -0.75 4.34 4.18 3hozE1 ARG 7 HB2 0.05 0.04 -0.02 -0.04 1.90 1.93 3hozE1 ARG 7 HB3 0.05 0.05 0.08 -0.04 1.80 1.94 3hozE1 ARG 7 HG2 0.03 -0.02 0.09 -0.04 1.67 1.73 3hozE1 ARG 7 HG3 0.04 -0.23 -0.05 -0.04 1.67 1.39 3hozE1 ARG 7 HD2 0.04 -0.00 -0.05 -0.04 3.22 3.16 3hozE1 ARG 7 HD3 0.03 0.01 0.02 -0.04 3.22 3.25 3hozE1 ASN 8 H 0.05 0.14 -0.43 -0.55 8.53 7.75 3hozE1 ASN 8 HA 0.06 0.00 0.27 -0.75 4.76 4.34 3hozE1 ASN 8 HB2 0.04 0.01 0.17 -0.04 2.88 3.06 3hozE1 ASN 8 HB3 0.05 0.09 -0.03 -0.04 2.79 2.86 3hozE1 ASN 8 HD21 0.03 -0.02 0.07 -0.04 7.03 7.07 3hozE1 ASN 8 HD22 0.03 0.15 0.16 -0.04 7.74 8.04 3hozE1 ILE 9 H 0.07 0.25 -0.97 -0.55 8.25 7.05 3hozE1 ILE 9 HA 0.11 0.04 0.54 -0.75 4.18 4.12 3hozE1 ILE 9 HB 0.07 0.24 0.21 -0.04 1.89 2.36 3hozE1 ILE 9 HG12 0.01 -0.07 0.04 -0.04 1.49 1.43 3hozE1 ILE 9 HG13 0.04 0.09 0.06 -0.04 1.21 1.35 3hozE1 ILE 9 HG23 0.08 -0.02 -0.16 -0.04 0.93 0.79 3hozE1 ILE 9 HD13 -0.00 -0.03 0.05 -0.04 0.88 0.86 3hozE1 SER 10 H 0.14 0.36 0.12 -0.55 8.46 8.53 3hozE1 SER 10 HA 0.44 0.00 0.37 -0.75 4.49 4.55 3hozE1 SER 10 HB2 0.17 0.01 0.20 -0.04 3.95 4.29 3hozE1 SER 10 HB3 0.15 0.06 0.19 -0.04 3.93 4.29 3hozE1 ARG 11 H 0.14 0.46 -0.37 -0.55 8.46 8.14 3hozE1 ARG 11 HA 0.07 0.02 0.38 -0.75 4.34 4.06 3hozE1 ARG 11 HB2 0.09 0.11 0.07 -0.04 1.90 2.13 3hozE1 ARG 11 HB3 0.07 -0.03 -0.04 -0.04 1.80 1.75 3hozE1 ARG 11 HG2 0.05 -0.01 -0.02 -0.04 1.67 1.65 3hozE1 ARG 11 HG3 0.07 0.06 -0.10 -0.04 1.67 1.66 3hozE1 ARG 11 HD2 0.04 -0.03 -0.06 -0.04 3.22 3.14 3hozE1 ARG 11 HD3 0.06 0.02 -0.02 -0.04 3.22 3.24 3hozE1 LEU 12 H 0.15 0.36 -0.01 -0.55 8.37 8.32 3hozE1 LEU 12 HA 0.16 -0.06 0.29 -0.75 4.35 3.98 3hozE1 LEU 12 HB2 0.14 -0.03 0.17 -0.04 1.64 1.88 3hozE1 LEU 12 HB3 0.22 0.15 0.14 -0.04 1.64 2.10 3hozE1 LEU 12 HG 0.31 0.06 -0.19 -0.04 1.64 1.78 3hozE1 LEU 12 HD13 0.19 -0.02 0.06 -0.04 0.93 1.12 3hozE1 LEU 12 HD23 0.06 -0.02 -0.05 -0.04 0.89 0.84 3hozE1 TRP 13 H 0.34 0.33 -1.00 -0.55 7.97 7.10 3hozE1 TRP 13 HA -0.59 0.05 0.55 -0.75 4.62 3.88 3hozE1 TRP 13 HB2 0.18 -0.07 -0.03 -0.04 3.23 3.27 3hozE1 TRP 13 HB3 0.03 0.26 0.21 -0.04 3.23 3.69 3hozE1 TRP 13 HD1 -0.82 -0.03 0.02 -0.04 7.22 6.35 3hozE1 TRP 13 HE1 -0.06 0.40 -0.07 -0.04 10.20 10.43 3hozE1 TRP 13 HE3 0.03 0.01 0.09 -0.04 7.59 7.68 3hozE1 TRP 13 HZ2 0.01 0.06 -0.16 -0.04 7.44 7.31 3hozE1 TRP 13 HZ3 0.02 -0.04 0.03 -0.04 7.13 7.11 3hozE1 TRP 13 HH2 0.02 -0.04 0.02 -0.04 7.19 7.15 3hozE1 ARG 14 H -0.04 0.59 0.30 -0.55 8.46 8.75 3hozE1 ARG 14 HA -0.70 -0.02 0.43 -0.75 4.34 3.30 3hozE1 ARG 14 HB2 -0.13 -0.04 0.21 -0.04 1.90 1.90 3hozE1 ARG 14 HB3 -0.27 0.08 0.15 -0.04 1.80 1.71 3hozE1 ARG 14 HG2 -0.66 -0.07 0.11 -0.04 1.67 1.01 3hozE1 ARG 14 HG3 -0.07 0.16 0.08 -0.04 1.67 1.80 3hozE1 ARG 14 HD2 -0.26 0.00 0.03 -0.04 3.22 2.95 3hozE1 ARG 14 HD3 -0.13 -0.08 -0.00 -0.04 3.22 2.97 3hozE1 ALA 15 H -0.01 0.65 -0.18 -0.55 8.40 8.31 3hozE1 ALA 15 HA -0.03 0.16 -0.09 -0.75 4.34 3.63 3hozE1 ALA 15 HB3 0.08 -0.02 -0.14 -0.04 1.41 1.28 3hozE1 PHE 16 H 0.13 0.36 -0.43 -0.55 8.34 7.85 3hozE1 PHE 16 HA 0.13 -0.04 0.35 -0.75 4.62 4.31 3hozE1 PHE 16 HB2 -0.14 0.06 0.19 -0.04 3.15 3.21 3hozE1 PHE 16 HB3 -0.34 0.25 0.29 -0.04 3.06 3.22 3hozE1 PHE 16 HD2 -0.19 -0.02 -0.00 -0.04 7.28 7.02 3hozE1 PHE 16 HE2 0.10 0.08 -0.03 -0.04 7.38 7.49 3hozE1 PHE 16 HZ -0.03 0.01 -0.02 -0.04 7.32 7.24 3hozE1 ARG 17 H -0.09 0.58 0.00 -0.55 8.46 8.40 3hozE1 ARG 17 HA -0.33 0.04 0.38 -0.75 4.34 3.67 3hozE1 ARG 17 HB2 -0.29 0.07 0.11 -0.04 1.90 1.75 3hozE1 ARG 17 HB3 -0.34 0.22 0.18 -0.04 1.80 1.83 3hozE1 ARG 17 HG2 -0.20 -0.03 -0.37 -0.04 1.67 1.03 3hozE1 ARG 17 HG3 -0.15 -0.07 -0.07 -0.04 1.67 1.34 3hozE1 ARG 17 HD2 -0.37 0.05 -0.05 -0.04 3.22 2.81 3hozE1 ARG 17 HD3 -0.31 -0.03 -0.03 -0.04 3.22 2.81 3hozE1 THR 18 H -0.17 0.58 -0.29 -0.55 8.28 7.85 3hozE1 THR 18 HA -0.10 -0.11 0.41 -0.75 4.39 3.84 3hozE1 THR 18 HB -0.07 0.27 0.08 -0.04 4.32 4.55 3hozE1 THR 18 HG23 0.03 -0.03 -0.16 -0.04 1.22 1.01 3hozE1 VAL 19 H -0.11 0.63 -0.12 -0.55 8.24 8.09 3hozE1 VAL 19 HA -0.18 -0.06 0.31 -0.75 4.13 3.44 3hozE1 VAL 19 HB -0.06 0.11 0.05 -0.04 2.12 2.18 3hozE1 VAL 19 HG13 -0.24 -0.04 -0.10 -0.04 0.97 0.54 3hozE1 VAL 19 HG23 -0.01 0.09 0.07 -0.04 0.95 1.05 3hozE1 LYS 20 H -0.26 0.46 -0.34 -0.55 8.42 7.73 3hozE1 LYS 20 HA -0.06 0.00 0.31 -0.75 4.32 3.82 3hozE1 LYS 20 HB2 -0.23 0.35 0.29 -0.04 1.87 2.23 3hozE1 LYS 20 HB3 -0.17 -0.09 -0.07 -0.04 1.79 1.42 3hozE1 LYS 20 HG2 -0.90 0.02 -0.10 -0.04 1.46 0.43 3hozE1 LYS 20 HG3 -0.53 0.08 0.05 -0.04 1.46 1.03 3hozE1 LYS 20 HD2 -0.31 -0.09 -0.08 -0.04 1.69 1.18 3hozE1 LYS 20 HD3 -0.49 -0.05 -0.08 -0.04 1.68 1.03 3hozE1 LYS 20 HE2 -0.60 -0.02 -0.03 -0.04 2.99 2.29 3hozE1 LYS 20 HE3 -0.16 0.28 0.08 -0.04 2.99 3.15 3hozE1 GLU 21 H -0.10 0.59 0.10 -0.55 8.60 8.64 3hozE1 GLU 21 HA 0.01 -0.03 0.31 -0.75 4.29 3.83 3hozE1 GLU 21 HB2 0.05 0.05 0.13 -0.04 2.09 2.29 3hozE1 GLU 21 HB3 0.13 -0.06 0.02 -0.04 1.99 2.03 3hozE1 GLU 21 HG2 -0.00 -0.07 0.03 -0.04 2.34 2.26 3hozE1 GLU 21 HG3 -0.08 0.38 0.01 -0.04 2.34 2.61 3hozE1 MET 22 H -0.08 0.80 -0.20 -0.55 8.47 8.44 3hozE1 MET 22 HA -0.49 -0.07 0.35 -0.75 4.52 3.56 3hozE1 MET 22 HB2 -0.37 -0.06 0.08 -0.04 2.15 1.77 3hozE1 MET 22 HB3 -0.31 0.11 0.09 -0.04 2.03 1.87 3hozE1 MET 22 HG2 -0.63 0.03 -0.05 -0.04 2.63 1.95 3hozE1 MET 22 HG3 -1.87 -0.15 0.08 -0.04 2.56 0.59 3hozE1 MET 22 HE3 -0.40 -0.01 -0.13 -0.04 2.10 1.52 3hozE1 VAL 23 H -0.11 0.70 -0.09 -0.55 8.24 8.19 3hozE1 VAL 23 HA -0.00 -0.01 0.37 -0.75 4.13 3.74 3hozE1 VAL 23 HB 0.04 0.10 0.09 -0.04 2.12 2.31 3hozE1 VAL 23 HG13 0.03 -0.05 -0.15 -0.04 0.97 0.76 3hozE1 VAL 23 HG23 -0.14 0.08 -0.00 -0.04 0.95 0.86 3hozE1 LYS 24 H 0.00 0.58 -0.34 -0.55 8.42 8.10 3hozE1 LYS 24 HA 0.12 0.07 0.55 -0.75 4.32 4.32 3hozE1 LYS 24 HB2 0.07 -0.01 0.04 -0.04 1.87 1.93 3hozE1 LYS 24 HB3 0.04 0.00 -0.08 -0.04 1.79 1.72 3hozE1 LYS 24 HG2 0.03 0.31 0.15 -0.04 1.46 1.91 3hozE1 LYS 24 HG3 0.04 -0.05 -0.34 -0.04 1.46 1.07 3hozE1 LYS 24 HD2 0.03 -0.02 -0.11 -0.04 1.69 1.55 3hozE1 LYS 24 HD3 0.04 -0.08 -0.05 -0.04 1.68 1.54 3hozE1 LYS 24 HE2 0.03 -0.06 -0.04 -0.04 2.99 2.88 3hozE1 LYS 24 HE3 0.06 0.08 0.03 -0.04 2.99 3.11 3hozE1 ASP 25 H -0.01 0.56 0.04 -0.55 8.40 8.43 3hozE1 ASP 25 HA 0.03 -0.00 0.45 -0.75 4.63 4.35 3hozE1 ASP 25 HB2 -0.02 0.14 0.14 -0.04 2.71 2.93 3hozE1 ASP 25 HB3 0.11 -0.06 0.01 -0.04 2.70 2.73 3hozE1 ARG 26 H -0.06 0.41 -0.37 -0.55 8.46 7.89 3hozE1 ARG 26 HA -0.12 0.01 0.27 -0.75 4.34 3.75 3hozE1 ARG 26 HB2 -0.03 0.10 -0.06 -0.04 1.90 1.86 3hozE1 ARG 26 HB3 -0.19 -0.05 -0.05 -0.04 1.80 1.47 3hozE1 ARG 26 HG2 -0.13 0.29 0.09 -0.04 1.67 1.88 3hozE1 ARG 26 HG3 0.05 -0.10 -0.02 -0.04 1.67 1.56 3hozE1 ARG 26 HD2 -0.01 -0.07 -0.12 -0.04 3.22 2.98 3hozE1 ARG 26 HD3 -0.09 -0.02 -0.10 -0.04 3.22 2.97 3hozE1 GLY 27 H -0.10 0.17 -0.71 -0.55 8.43 7.24 3hozE1 GLY 27 HA2 -0.06 -0.02 0.25 -0.51 4.01 3.67 3hozE1 GLY 27 HA3 -0.17 0.12 0.85 -0.51 4.01 4.30 3hozE1 TYR 28 H -0.01 0.14 0.14 -0.55 8.29 8.01 3hozE1 TYR 28 HA 0.05 0.09 0.80 -0.75 4.56 4.76 3hozE1 TYR 28 HB2 0.01 0.75 0.15 -0.04 3.06 3.93 3hozE1 TYR 28 HB3 0.06 -0.10 -0.10 -0.04 2.98 2.79 3hozE1 TYR 28 HD2 -0.01 0.04 -0.34 -0.04 7.15 6.81 3hozE1 TYR 28 HE2 -0.03 0.13 -0.07 -0.04 6.85 6.83 3hozE1 PHE 29 H 0.38 0.77 0.32 -0.55 8.34 9.26 3hozE1 PHE 29 HA 0.06 0.01 0.68 -0.75 4.62 4.62 3hozE1 PHE 29 HB2 0.07 0.16 0.06 -0.04 3.15 3.40 3hozE1 PHE 29 HB3 0.05 -0.08 0.19 -0.04 3.06 3.18 3hozE1 PHE 29 HD2 0.03 0.07 -0.09 -0.04 7.28 7.26 3hozE1 PHE 29 HE2 0.02 -0.03 -0.06 -0.04 7.38 7.27 3hozE1 PHE 29 HZ 0.02 -0.02 -0.01 -0.04 7.32 7.26 3hozE1 ILE 30 H 0.37 0.29 0.19 -0.55 8.25 8.55 3hozE1 ILE 30 HA 0.09 0.06 0.55 -0.75 4.18 4.12 3hozE1 ILE 30 HB 0.08 -0.01 -0.10 -0.04 1.89 1.83 3hozE1 ILE 30 HG12 -0.01 0.03 0.05 -0.04 1.49 1.51 3hozE1 ILE 30 HG13 0.12 0.01 -0.81 -0.04 1.21 0.48 3hozE1 ILE 30 HG23 -0.02 0.09 -0.23 -0.04 0.93 0.73 3hozE1 ILE 30 HD13 0.01 -0.02 -0.21 -0.04 0.88 0.63 3hozE1 THR 31 H 0.05 0.13 0.11 -0.55 8.28 8.02 3hozE1 THR 31 HA 0.14 0.14 0.48 -0.75 4.39 4.40 3hozE1 THR 31 HB 0.08 0.09 0.17 -0.04 4.32 4.62 3hozE1 THR 31 HG23 0.00 0.07 0.10 -0.04 1.22 1.34 3hozE1 GLN 32 H 0.05 0.15 0.21 -0.55 8.47 8.34 3hozE1 GLN 32 HA 0.03 0.23 0.54 -0.75 4.36 4.40 3hozE1 GLN 32 HB2 0.03 0.06 0.13 -0.04 2.15 2.33 3hozE1 GLN 32 HB3 0.03 -0.02 0.07 -0.04 2.02 2.06 3hozE1 GLN 32 HG2 0.02 0.03 0.03 -0.04 2.40 2.45 3hozE1 GLN 32 HG3 0.03 -0.02 0.00 -0.04 2.39 2.36 3hozE1 GLN 32 HE21 0.03 0.05 0.03 -0.04 6.97 7.04 3hozE1 GLN 32 HE22 0.03 -0.03 0.06 -0.04 7.69 7.70 3hozE1 GLU 33 H 0.04 0.02 -0.03 -0.55 8.60 8.08 3hozE1 GLU 33 HA 0.04 0.14 0.47 -0.75 4.29 4.19 3hozE1 GLU 33 HB2 0.03 -0.06 0.08 -0.04 2.09 2.10 3hozE1 GLU 33 HB3 0.04 0.10 -0.06 -0.04 1.99 2.02 3hozE1 GLU 33 HG2 0.03 0.06 0.00 -0.04 2.34 2.39 3hozE1 GLU 33 HG3 0.04 0.05 -0.00 -0.04 2.34 2.38 3hozE1 GLU 34 H 0.02 -0.06 -0.30 -0.55 8.60 7.72 3hozE1 GLU 34 HA 0.03 0.09 0.22 -0.75 4.29 3.88 3hozE1 GLU 34 HB2 -0.02 -0.11 0.10 -0.04 2.09 2.02 3hozE1 GLU 34 HB3 -0.02 0.13 -0.01 -0.04 1.99 2.04 3hozE1 GLU 34 HG2 -0.14 0.07 -0.02 -0.04 2.34 2.21 3hozE1 GLU 34 HG3 -0.06 0.05 0.10 -0.04 2.34 2.39 3hozE1 VAL 35 H 0.02 -0.07 -1.55 -0.55 8.24 6.09 3hozE1 VAL 35 HA -0.05 0.17 0.76 -0.75 4.13 4.26 3hozE1 VAL 35 HB 0.01 0.15 0.14 -0.04 2.12 2.37 3hozE1 VAL 35 HG13 -0.03 -0.01 -0.12 -0.04 0.97 0.77 3hozE1 VAL 35 HG23 -0.02 0.03 -0.13 -0.04 0.95 0.79 3hozE1 GLU 36 H 0.04 0.42 0.16 -0.55 8.60 8.68 3hozE1 GLU 36 HA 0.08 0.03 0.27 -0.75 4.29 3.92 3hozE1 GLU 36 HB2 0.06 -0.04 0.12 -0.04 2.09 2.19 3hozE1 GLU 36 HB3 0.07 -0.06 0.18 -0.04 1.99 2.14 3hozE1 GLU 36 HG2 0.04 -0.03 0.05 -0.04 2.34 2.36 3hozE1 GLU 36 HG3 0.04 0.25 0.20 -0.04 2.34 2.78 3hozE1 LEU 37 H 0.14 0.22 -1.23 -0.55 8.37 6.95 3hozE1 LEU 37 HA 0.13 -0.06 0.32 -0.75 4.35 3.99 3hozE1 LEU 37 HB2 0.16 -0.06 -0.06 -0.04 1.64 1.64 3hozE1 LEU 37 HB3 0.25 0.13 -0.02 -0.04 1.64 1.96 3hozE1 LEU 37 HG 0.27 0.02 -0.12 -0.04 1.64 1.77 3hozE1 LEU 37 HD13 0.12 -0.03 -0.30 -0.04 0.93 0.68 3hozE1 LEU 37 HD23 0.36 0.00 -0.09 -0.04 0.89 1.12 3hozE1 PRO 38 HA 0.39 0.08 0.30 -0.51 4.44 4.70 3hozE1 PRO 38 HB2 -0.02 -0.18 0.09 -0.04 2.28 2.13 3hozE1 PRO 38 HB3 0.10 0.07 0.17 -0.04 2.02 2.33 3hozE1 PRO 38 HG2 0.02 -0.11 0.01 -0.04 2.03 1.91 3hozE1 PRO 38 HG3 0.04 0.03 0.09 -0.04 2.03 2.15 3hozE1 PRO 38 HD2 0.09 0.02 0.20 -0.04 3.68 3.96 3hozE1 PRO 38 HD3 0.11 0.31 0.32 -0.04 3.65 4.34 3hozE1 LEU 39 H -0.42 0.11 0.15 -0.55 8.37 7.66 3hozE1 LEU 39 HA -2.16 0.17 0.43 -0.75 4.35 2.03 3hozE1 LEU 39 HB2 -1.39 0.06 0.14 -0.04 1.64 0.41 3hozE1 LEU 39 HB3 -0.43 -0.09 0.19 -0.04 1.64 1.28 3hozE1 LEU 39 HG -0.31 0.00 -0.24 -0.04 1.64 1.06 3hozE1 LEU 39 HD13 -0.36 0.01 0.00 -0.04 0.93 0.54 3hozE1 LEU 39 HD23 -0.05 0.00 0.01 -0.04 0.89 0.81 3hozE1 GLU 40 H -0.23 0.08 -0.01 -0.55 8.60 7.90 3hozE1 GLU 40 HA -0.14 0.05 0.36 -0.75 4.29 3.80 3hozE1 GLU 40 HB2 -0.08 -0.04 0.06 -0.04 2.09 1.99 3hozE1 GLU 40 HB3 -0.07 0.07 -0.02 -0.04 1.99 1.93 3hozE1 GLU 40 HG2 -0.09 -0.06 0.09 -0.04 2.34 2.24 3hozE1 GLU 40 HG3 -0.05 0.05 0.03 -0.04 2.34 2.33 3hozE1 ASP 41 H -0.08 0.04 -0.28 -0.55 8.40 7.53 3hozE1 ASP 41 HA -0.04 0.06 0.33 -0.75 4.63 4.23 3hozE1 ASP 41 HB2 0.03 0.13 -0.17 -0.04 2.71 2.65 3hozE1 ASP 41 HB3 0.02 0.06 -0.02 -0.04 2.70 2.71 3hozE1 PHE 42 H -0.06 0.22 -0.64 -0.55 8.34 7.31 3hozE1 PHE 42 HA 0.02 0.09 0.35 -0.75 4.62 4.32 3hozE1 PHE 42 HB2 -0.29 0.18 0.04 -0.04 3.15 3.03 3hozE1 PHE 42 HB3 -0.49 0.04 0.16 -0.04 3.06 2.73 3hozE1 PHE 42 HD2 -0.15 -0.00 -0.08 -0.04 7.28 7.01 3hozE1 PHE 42 HE2 -0.94 -0.02 -0.19 -0.04 7.38 6.19 3hozE1 PHE 42 HZ -0.56 -0.03 -0.11 -0.04 7.32 6.57 3hozE1 LYS 43 H -0.14 0.38 -0.01 -0.55 8.42 8.08 3hozE1 LYS 43 HA -0.30 -0.05 0.22 -0.75 4.32 3.44 3hozE1 LYS 43 HB2 -0.12 0.00 0.14 -0.04 1.87 1.85 3hozE1 LYS 43 HB3 -0.12 -0.04 -0.01 -0.04 1.79 1.58 3hozE1 LYS 43 HG2 -0.10 -0.04 0.00 -0.04 1.46 1.27 3hozE1 LYS 43 HG3 -0.16 0.21 0.04 -0.04 1.46 1.50 3hozE1 LYS 43 HD2 -0.10 -0.01 0.02 -0.04 1.69 1.55 3hozE1 LYS 43 HD3 -0.08 0.01 0.00 -0.04 1.68 1.58 3hozE1 LYS 43 HE2 -0.06 0.00 -0.02 -0.04 2.99 2.87 3hozE1 LYS 43 HE3 -0.13 -0.07 -0.12 -0.04 2.99 2.63 3hozE1 ALA 44 H -0.11 0.45 -0.17 -0.55 8.40 8.02 3hozE1 ALA 44 HA -0.11 -0.04 0.37 -0.75 4.34 3.81 3hozE1 ALA 44 HB3 -0.08 -0.02 0.08 -0.04 1.41 1.35 3hozE1 LYS 45 H -0.17 0.03 0.38 -0.55 8.42 8.11 3hozE1 LYS 45 HA -0.26 -0.08 0.38 -0.75 4.32 3.61 3hozE1 LYS 45 HB2 -0.15 0.74 0.35 -0.04 1.87 2.77 3hozE1 LYS 45 HB3 -0.32 0.05 -0.05 -0.04 1.79 1.44 3hozE1 LYS 45 HG2 -0.83 -0.05 0.02 -0.04 1.46 0.56 3hozE1 LYS 45 HG3 -0.27 -0.11 0.14 -0.04 1.46 1.19 3hozE1 LYS 45 HD2 -0.03 0.02 0.04 -0.04 1.69 1.68 3hozE1 LYS 45 HD3 0.11 0.01 -0.02 -0.04 1.68 1.74 3hozE1 LYS 45 HE2 -0.24 0.02 0.00 -0.04 2.99 2.73 3hozE1 LYS 45 HE3 -0.09 -0.08 0.02 -0.04 2.99 2.80 3hozE1 TYR 46 H -0.17 0.58 0.20 -0.55 8.29 8.35 3hozE1 TYR 46 HA -0.18 0.22 0.96 -0.75 4.56 4.81 3hozE1 TYR 46 HB2 -0.56 -0.06 -0.01 -0.04 3.06 2.38 3hozE1 TYR 46 HB3 -0.27 -0.01 0.11 -0.04 2.98 2.77 3hozE1 TYR 46 HD2 -0.43 0.12 -0.32 -0.04 7.15 6.49 3hozE1 TYR 46 HE2 -0.02 0.10 0.01 -0.04 6.85 6.91 3hozE1 CYS 47 H -0.13 0.11 0.17 -0.55 8.50 8.11 3hozE1 CYS 47 HA -0.08 0.24 0.85 -0.75 4.58 4.83 3hozE1 CYS 47 HB2 -0.11 0.14 -0.03 -0.04 2.97 2.92 3hozE1 CYS 47 HB3 -0.08 -0.06 -0.20 -0.04 2.97 2.59 3hozE1 ASP 48 H -0.05 0.14 0.07 -0.55 8.40 8.02 3hozE1 ASP 48 HA -0.04 0.24 0.62 -0.75 4.63 4.70 3hozE1 ASP 48 HB2 -0.02 0.03 0.14 -0.04 2.71 2.82 3hozE1 ASP 48 HB3 -0.02 0.10 0.06 -0.04 2.70 2.80 3hozE1 SER 49 H -0.02 0.01 0.11 -0.55 8.46 8.02 3hozE1 SER 49 HA -0.03 0.26 0.66 -0.75 4.49 4.63 3hozE1 SER 49 HB2 -0.02 0.09 0.08 -0.04 3.95 4.06 3hozE1 SER 49 HB3 -0.02 0.05 0.11 -0.04 3.93 4.03 3hozE1 MET 50 H -0.02 0.06 0.13 -0.55 8.47 8.10 3hozE1 MET 50 HA -0.02 0.13 0.33 -0.75 4.52 4.20 3hozE1 MET 50 HB2 -0.01 -0.00 0.12 -0.04 2.15 2.22 3hozE1 MET 50 HB3 -0.01 -0.09 0.04 -0.04 2.03 1.93 3hozE1 MET 50 HG2 -0.01 -0.01 -0.04 -0.04 2.63 2.53 3hozE1 MET 50 HG3 -0.01 0.05 -0.14 -0.04 2.56 2.42 3hozE1 MET 50 HE3 -0.01 0.02 0.06 -0.04 2.10 2.13 3hozE1 GLY 51 H -0.03 -0.30 -0.29 -0.55 8.43 7.26 3hozE1 GLY 51 HA2 -0.05 0.08 0.06 -0.51 4.01 3.59 3hozE1 GLY 51 HA3 -0.04 0.25 0.81 -0.51 4.01 4.52 3hozE1 ARG 52 H -0.03 -0.24 0.07 -0.55 8.46 7.71 3hozE1 ARG 52 HA -0.02 0.22 0.62 -0.75 4.34 4.41 3hozE1 ARG 52 HB2 -0.01 -0.07 0.08 -0.04 1.90 1.86 3hozE1 ARG 52 HB3 -0.01 0.12 0.07 -0.04 1.80 1.94 3hozE1 ARG 52 HG2 -0.01 -0.23 0.04 -0.04 1.67 1.42 3hozE1 ARG 52 HG3 -0.01 0.03 0.04 -0.04 1.67 1.69 3hozE1 ARG 52 HD2 0.00 0.05 -0.01 -0.04 3.22 3.21 3hozE1 ARG 52 HD3 -0.01 0.09 -0.18 -0.04 3.22 3.09 3hozE1 PRO 53 HA -0.09 0.14 0.43 -0.51 4.44 4.41 3hozE1 PRO 53 HB2 -0.01 -0.02 -0.02 -0.04 2.28 2.19 3hozE1 PRO 53 HB3 -0.02 0.08 0.07 -0.04 2.02 2.11 3hozE1 PRO 53 HG2 0.01 -0.03 0.16 -0.04 2.03 2.13 3hozE1 PRO 53 HG3 0.03 0.07 0.07 -0.04 2.03 2.15 3hozE1 PRO 53 HD2 -0.00 0.01 0.25 -0.04 3.68 3.90 3hozE1 PRO 53 HD3 -0.01 0.24 0.20 -0.04 3.65 4.05 3hozE1 GLN 54 H -0.08 0.61 0.23 -0.55 8.47 8.68 3hozE1 GLN 54 HA -0.00 0.06 1.02 -0.75 4.36 4.68 3hozE1 GLN 54 HB2 -0.01 0.26 0.24 -0.04 2.15 2.60 3hozE1 GLN 54 HB3 0.00 -0.14 0.09 -0.04 2.02 1.92 3hozE1 GLN 54 HG2 -0.02 -0.04 -0.26 -0.04 2.40 2.04 3hozE1 GLN 54 HG3 -0.04 0.14 -0.03 -0.04 2.39 2.41 3hozE1 GLN 54 HE21 -0.02 -0.02 -0.13 -0.04 6.97 6.76 3hozE1 GLN 54 HE22 -0.03 0.12 -0.27 -0.04 7.69 7.46 3hozE1 ARG 55 H 0.01 0.23 -0.07 -0.55 8.46 8.08 3hozE1 ARG 55 HA -0.12 0.19 0.35 -0.75 4.34 4.01 3hozE1 ARG 55 HB2 0.07 -0.13 -0.28 -0.04 1.90 1.52 3hozE1 ARG 55 HB3 0.12 -0.04 -0.15 -0.04 1.80 1.69 3hozE1 ARG 55 HG2 0.06 0.09 -0.05 -0.04 1.67 1.73 3hozE1 ARG 55 HG3 0.04 0.00 -0.09 -0.04 1.67 1.58 3hozE1 ARG 55 HD2 0.10 0.00 -0.08 -0.04 3.22 3.21 3hozE1 ARG 55 HD3 0.18 -0.00 -0.06 -0.04 3.22 3.30 3hozE1 LYS 56 H 0.04 0.08 -0.15 -0.55 8.42 7.83 3hozE1 LYS 56 HA 0.08 0.09 0.32 -0.75 4.32 4.05 3hozE1 LYS 56 HB2 0.06 0.12 -0.07 -0.04 1.87 1.93 3hozE1 LYS 56 HB3 0.08 0.06 0.10 -0.04 1.79 1.99 3hozE1 LYS 56 HG2 0.05 -0.06 0.08 -0.04 1.46 1.48 3hozE1 LYS 56 HG3 0.05 0.08 0.04 -0.04 1.46 1.59 3hozE1 LYS 56 HD2 0.08 0.16 0.10 -0.04 1.69 1.98 3hozE1 LYS 56 HD3 0.08 -0.18 0.10 -0.04 1.68 1.64 3hozE1 LYS 56 HE2 0.05 0.08 0.09 -0.04 2.99 3.18 3hozE1 LYS 56 HE3 0.06 0.15 0.04 -0.04 2.99 3.20 3hozE1 MET 57 H 0.03 0.15 -0.74 -0.55 8.47 7.36 3hozE1 MET 57 HA 0.09 0.09 0.53 -0.75 4.52 4.47 3hozE1 MET 57 HB2 0.04 -0.20 0.08 -0.04 2.15 2.03 3hozE1 MET 57 HB3 0.16 0.17 0.13 -0.04 2.03 2.45 3hozE1 MET 57 HG2 -0.05 0.10 0.13 -0.04 2.63 2.77 3hozE1 MET 57 HG3 0.01 -0.07 0.09 -0.04 2.56 2.55 3hozE1 MET 57 HE3 -0.02 -0.04 -0.03 -0.04 2.10 1.97 3hozE1 MET 58 H -0.08 0.42 -0.13 -0.55 8.47 8.14 3hozE1 MET 58 HA 0.05 0.19 0.69 -0.75 4.52 4.70 3hozE1 MET 58 HB2 -0.67 -0.04 0.15 -0.04 2.15 1.55 3hozE1 MET 58 HB3 -1.10 -0.01 -0.04 -0.04 2.03 0.83 3hozE1 MET 58 HG2 -1.31 0.06 -0.02 -0.04 2.63 1.31 3hozE1 MET 58 HG3 -0.87 0.02 -0.11 -0.04 2.56 1.56 3hozE1 MET 58 HE3 -0.24 0.05 -0.01 -0.04 2.10 1.86 3hozE1 SER 59 H -0.03 0.07 -0.09 -0.55 8.46 7.87 3hozE1 SER 59 HA -0.13 -0.02 0.36 -0.75 4.49 3.95 3hozE1 SER 59 HB2 0.17 0.05 0.08 -0.04 3.95 4.21 3hozE1 SER 59 HB3 -0.31 0.08 0.16 -0.04 3.93 3.82 3hozE1 PHE 60 H -1.08 0.65 0.45 -0.55 8.34 7.82 3hozE1 PHE 60 HA 0.09 0.01 0.47 -0.75 4.62 4.44 3hozE1 PHE 60 HB2 0.05 -0.07 0.22 -0.04 3.15 3.30 3hozE1 PHE 60 HB3 0.05 0.35 -0.08 -0.04 3.06 3.34 3hozE1 PHE 60 HD2 0.04 0.28 -0.31 -0.04 7.28 7.25 3hozE1 PHE 60 HE2 -0.05 -0.03 -0.19 -0.04 7.38 7.06 3hozE1 PHE 60 HZ -0.18 -0.02 -0.22 -0.04 7.32 6.87 3hozE1 GLN 61 H 0.42 0.18 0.24 -0.55 8.47 8.77 3hozE1 GLN 61 HA 0.10 0.11 1.03 -0.75 4.36 4.85 3hozE1 GLN 61 HB2 0.69 -0.06 0.03 -0.04 2.15 2.78 3hozE1 GLN 61 HB3 0.25 -0.05 0.08 -0.04 2.02 2.26 3hozE1 GLN 61 HG2 -0.06 0.05 0.17 -0.04 2.40 2.52 3hozE1 GLN 61 HG3 -0.20 0.33 0.32 -0.04 2.39 2.80 3hozE1 GLN 61 HE21 0.07 -0.02 -0.02 -0.04 6.97 6.96 3hozE1 GLN 61 HE22 0.07 -0.05 -0.06 -0.04 7.69 7.61 3hozE1 ALA 62 H -0.11 0.54 0.26 -0.55 8.40 8.54 3hozE1 ALA 62 HA 0.01 0.13 0.71 -0.75 4.34 4.43 3hozE1 ALA 62 HB3 -0.06 0.01 -0.08 -0.04 1.41 1.24 3hozE1 ASN 63 H 0.10 0.20 0.24 -0.55 8.53 8.52 3hozE1 ASN 63 HA 0.07 0.25 1.01 -0.75 4.76 5.34 3hozE1 ASN 63 HB2 0.14 -0.08 -0.01 -0.04 2.88 2.89 3hozE1 ASN 63 HB3 0.12 0.13 0.06 -0.04 2.79 3.06 3hozE1 ASN 63 HD21 0.02 0.02 -0.17 -0.04 7.03 6.86 3hozE1 ASN 63 HD22 0.01 -0.04 -0.09 -0.04 7.74 7.59 3hozE1 PRO 64 HA 0.14 0.17 0.54 -0.51 4.44 4.78 3hozE1 PRO 64 HB2 0.12 -0.08 0.17 -0.04 2.28 2.45 3hozE1 PRO 64 HB3 0.09 0.09 0.10 -0.04 2.02 2.26 3hozE1 PRO 64 HG2 0.15 0.18 0.15 -0.04 2.03 2.48 3hozE1 PRO 64 HG3 0.29 0.14 0.16 -0.04 2.03 2.58 3hozE1 PRO 64 HD2 0.16 0.04 0.22 -0.04 3.68 4.06 3hozE1 PRO 64 HD3 0.24 0.08 0.36 -0.04 3.65 4.28 3hozE1 THR 65 H 0.07 0.37 0.27 -0.55 8.28 8.44 3hozE1 THR 65 HA -0.04 0.03 0.37 -0.75 4.39 4.00 3hozE1 THR 65 HB -0.26 -0.06 0.06 -0.04 4.32 4.02 3hozE1 THR 65 HG23 -0.00 0.12 -0.53 -0.04 1.22 0.77 3hozE1 GLU 66 H -0.15 0.08 0.15 -0.55 8.60 8.13 3hozE1 GLU 66 HA -0.01 0.13 0.37 -0.75 4.29 4.03 3hozE1 GLU 66 HB2 -0.10 -0.11 0.20 -0.04 2.09 2.04 3hozE1 GLU 66 HB3 -0.04 0.05 0.04 -0.04 1.99 2.00 3hozE1 GLU 66 HG2 -0.05 0.03 0.12 -0.04 2.34 2.40 3hozE1 GLU 66 HG3 -0.07 -0.01 0.08 -0.04 2.34 2.29 3hozE1 GLU 67 H -0.06 0.07 -0.04 -0.55 8.60 8.02 3hozE1 GLU 67 HA -0.04 0.05 0.42 -0.75 4.29 3.96 3hozE1 GLU 67 HB2 -0.04 0.02 0.05 -0.04 2.09 2.08 3hozE1 GLU 67 HB3 -0.05 0.02 0.01 -0.04 1.99 1.93 3hozE1 GLU 67 HG2 -0.04 0.03 0.05 -0.04 2.34 2.33 3hozE1 GLU 67 HG3 -0.05 -0.08 0.09 -0.04 2.34 2.26 3hozE1 SER 68 H -0.00 0.08 -0.32 -0.55 8.46 7.67 3hozE1 SER 68 HA 0.12 -0.09 0.35 -0.75 4.49 4.12 3hozE1 SER 68 HB2 0.03 0.14 0.07 -0.04 3.95 4.15 3hozE1 SER 68 HB3 0.05 0.05 0.17 -0.04 3.93 4.16 3hozE1 ILE 69 H 0.03 0.35 -0.52 -0.55 8.25 7.57 3hozE1 ILE 69 HA 0.08 0.49 0.69 -0.75 4.18 4.69 3hozE1 ILE 69 HB 0.03 -0.01 0.04 -0.04 1.89 1.91 3hozE1 ILE 69 HG12 0.06 -0.10 0.04 -0.04 1.49 1.44 3hozE1 ILE 69 HG13 0.07 0.14 0.06 -0.04 1.21 1.44 3hozE1 ILE 69 HG23 0.04 -0.00 0.08 -0.04 0.93 1.00 3hozE1 ILE 69 HD13 0.05 -0.07 -0.08 -0.04 0.88 0.74 3hozE1 SER 70 H -0.02 0.47 -0.02 -0.55 8.46 8.35 3hozE1 SER 70 HA -0.03 -0.01 0.38 -0.75 4.49 4.07 3hozE1 SER 70 HB2 -0.08 -0.03 0.25 -0.04 3.95 4.05 3hozE1 SER 70 HB3 -0.06 -0.08 0.04 -0.04 3.93 3.79 3hozE1 LYS 71 H -0.20 0.20 -0.06 -0.55 8.42 7.81 3hozE1 LYS 71 HA -0.27 -0.02 0.40 -0.75 4.32 3.68 3hozE1 LYS 71 HB2 -0.89 0.06 0.10 -0.04 1.87 1.09 3hozE1 LYS 71 HB3 -1.12 -0.10 -0.00 -0.04 1.79 0.52 3hozE1 LYS 71 HG2 -0.26 -0.03 0.03 -0.04 1.46 1.16 3hozE1 LYS 71 HG3 -0.25 0.00 0.02 -0.04 1.46 1.19 3hozE1 LYS 71 HD2 -0.28 0.06 -0.02 -0.04 1.69 1.41 3hozE1 LYS 71 HD3 -0.36 -0.09 0.00 -0.04 1.68 1.19 3hozE1 LYS 71 HE2 -0.13 -0.03 0.00 -0.04 2.99 2.79 3hozE1 LYS 71 HE3 -0.11 -0.00 -0.01 -0.04 2.99 2.82 3hozE1 PHE 72 H -0.30 0.34 -0.10 -0.55 8.34 7.73 3hozE1 PHE 72 HA -0.01 0.11 0.98 -0.75 4.62 4.95 3hozE1 PHE 72 HB2 -0.02 0.08 0.10 -0.04 3.15 3.26 3hozE1 PHE 72 HB3 -0.01 -0.09 0.04 -0.04 3.06 2.96 3hozE1 PHE 72 HD2 -0.03 0.16 0.09 -0.04 7.28 7.45 3hozE1 PHE 72 HE2 -0.04 -0.06 -0.07 -0.04 7.38 7.16 3hozE1 PHE 72 HZ -0.03 0.01 -0.07 -0.04 7.32 7.18 3hozE1 PRO 73 HA 0.06 0.21 0.62 -0.51 4.44 4.82 3hozE1 PRO 73 HB2 0.05 -0.20 0.22 -0.04 2.28 2.31 3hozE1 PRO 73 HB3 0.03 0.01 0.12 -0.04 2.02 2.14 3hozE1 PRO 73 HG2 0.02 -0.08 0.12 -0.04 2.03 2.05 3hozE1 PRO 73 HG3 0.01 0.27 0.08 -0.04 2.03 2.35 3hozE1 PRO 73 HD2 0.07 -0.08 0.23 -0.04 3.68 3.86 3hozE1 PRO 73 HD3 0.02 0.44 0.06 -0.04 3.65 4.13 3hozE1 ASP 74 H 0.07 0.07 0.04 -0.55 8.40 8.04 3hozE1 ASP 74 HA 0.06 0.10 0.22 -0.75 4.63 4.25 3hozE1 ASP 74 HB2 0.06 -0.03 0.03 -0.04 2.71 2.73 3hozE1 ASP 74 HB3 0.05 0.01 0.17 -0.04 2.70 2.88 3hozE1 MET 75 H 0.09 0.41 -0.87 -0.55 8.47 7.55 3hozE1 MET 75 HA 0.01 -0.10 0.38 -0.75 4.52 4.06 3hozE1 MET 75 HB2 0.01 -0.03 0.06 -0.04 2.15 2.15 3hozE1 MET 75 HB3 0.05 0.08 0.18 -0.04 2.03 2.29 3hozE1 MET 75 HG2 0.01 0.14 -0.18 -0.04 2.63 2.56 3hozE1 MET 75 HG3 -0.17 -0.09 -0.03 -0.04 2.56 2.23 3hozE1 MET 75 HE3 -0.45 -0.02 0.08 -0.04 2.10 1.66 3hozE1 GLY 76 H 0.07 0.04 0.24 -0.55 8.43 8.23 3hozE1 GLY 76 HA2 0.09 0.08 0.28 -0.51 4.01 3.95 3hozE1 GLY 76 HA3 0.10 -0.02 0.33 -0.51 4.01 3.90 3hozE1 SER 77 H 0.10 0.19 0.07 -0.55 8.46 8.28 3hozE1 SER 77 HA 0.08 0.23 1.13 -0.75 4.49 5.17 3hozE1 SER 77 HB2 0.05 -0.00 0.05 -0.04 3.95 4.00 3hozE1 SER 77 HB3 -0.09 -0.02 0.13 -0.04 3.93 3.91 3hozE1 LEU 78 H -0.50 0.18 0.13 -0.55 8.37 7.64 3hozE1 LEU 78 HA -0.15 0.09 0.72 -0.75 4.35 4.25 3hozE1 LEU 78 HB2 -0.23 0.01 -0.00 -0.04 1.64 1.38 3hozE1 LEU 78 HB3 -1.09 0.02 0.03 -0.04 1.64 0.57 3hozE1 LEU 78 HG -0.23 -0.06 -0.11 -0.04 1.64 1.20 3hozE1 LEU 78 HD13 -0.19 0.02 -0.10 -0.04 0.93 0.62 3hozE1 LEU 78 HD23 -0.33 0.00 -0.47 -0.04 0.89 0.04 3hozE1 TRP 79 H -0.08 0.26 0.23 -0.55 7.97 7.84 3hozE1 TRP 79 HA -0.32 0.10 0.85 -0.75 4.62 4.51 3hozE1 TRP 79 HB2 -0.70 0.07 -0.00 -0.04 3.23 2.55 3hozE1 TRP 79 HB3 -0.08 0.05 0.19 -0.04 3.23 3.35 3hozE1 TRP 79 HD1 -0.15 -0.05 -0.10 -0.04 7.22 6.88 3hozE1 TRP 79 HE1 0.07 -0.10 -0.11 -0.04 10.20 10.02 3hozE1 TRP 79 HE3 -0.09 -0.01 -0.13 -0.04 7.59 7.32 3hozE1 TRP 79 HZ2 0.02 -0.08 -0.02 -0.04 7.44 7.32 3hozE1 TRP 79 HZ3 0.11 -0.06 -0.16 -0.04 7.13 6.98 3hozE1 TRP 79 HH2 0.12 0.02 -0.13 -0.04 7.19 7.15 3hozE1 VAL 80 H -1.09 0.89 0.43 -0.55 8.24 7.92 3hozE1 VAL 80 HA -0.63 0.25 1.05 -0.75 4.13 4.06 3hozE1 VAL 80 HB -1.38 0.02 0.12 -0.04 2.12 0.83 3hozE1 VAL 80 HG13 -0.64 -0.02 -0.14 -0.04 0.97 0.12 3hozE1 VAL 80 HG23 -0.62 0.00 -0.15 -0.04 0.95 0.14 3hozE1 GLU 81 H -0.66 0.56 0.37 -0.55 8.60 8.32 3hozE1 GLU 81 HA -0.38 0.10 1.02 -0.75 4.29 4.28 3hozE1 GLU 81 HB2 0.06 0.05 -0.10 -0.04 2.09 2.06 3hozE1 GLU 81 HB3 -0.85 -0.03 0.09 -0.04 1.99 1.17 3hozE1 GLU 81 HG2 -0.53 0.10 -0.12 -0.04 2.34 1.75 3hozE1 GLU 81 HG3 0.01 -0.01 0.15 -0.04 2.34 2.45 3hozE1 PHE 82 H 0.19 0.16 0.15 -0.55 8.34 8.28 3hozE1 PHE 82 HA -0.14 0.25 0.81 -0.75 4.62 4.78 3hozE1 PHE 82 HB2 -0.06 0.09 -0.04 -0.04 3.15 3.11 3hozE1 PHE 82 HB3 -0.02 -0.05 0.11 -0.04 3.06 3.06 3hozE1 PHE 82 HD2 -0.14 -0.10 -0.13 -0.04 7.28 6.88 3hozE1 PHE 82 HE2 -0.20 0.05 -0.21 -0.04 7.38 6.98 3hozE1 PHE 82 HZ 0.02 0.06 -0.13 -0.04 7.32 7.23 3hozE1 CYS 83 H 0.23 0.36 0.08 -0.55 8.50 8.62 3hozE1 CYS 83 HA 0.12 0.06 0.51 -0.75 4.58 4.51 3hozE1 CYS 83 HB2 0.28 0.05 -0.10 -0.04 2.97 3.15 3hozE1 CYS 83 HB3 0.16 -0.24 0.01 -0.04 2.97 2.85 3hozE1 ASP 84 H 0.08 0.18 0.13 -0.55 8.40 8.24 3hozE1 ASP 84 HA 0.07 0.17 0.57 -0.75 4.63 4.69 3hozE1 ASP 84 HB2 0.05 -0.01 0.13 -0.04 2.71 2.84 3hozE1 ASP 84 HB3 0.04 0.08 0.17 -0.04 2.70 2.95 3hozE1 GLU 85 H 0.09 -0.06 -0.47 -0.55 8.60 7.62 3hozE1 GLU 85 HA 0.05 0.16 0.47 -0.75 4.29 4.22 3hozE1 GLU 85 HB2 0.09 -0.03 -0.00 -0.04 2.09 2.10 3hozE1 GLU 85 HB3 0.05 0.09 -0.15 -0.04 1.99 1.94 3hozE1 GLU 85 HG2 0.06 0.08 0.01 -0.04 2.34 2.45 3hozE1 GLU 85 HG3 0.08 -0.11 0.05 -0.04 2.34 2.32 3hozE1 PRO 86 HA 0.04 0.01 0.40 -0.51 4.44 4.39 3hozE1 PRO 86 HB2 0.01 0.01 0.05 -0.04 2.28 2.31 3hozE1 PRO 86 HB3 0.02 0.03 0.12 -0.04 2.02 2.14 3hozE1 PRO 86 HG2 0.02 0.03 0.12 -0.04 2.03 2.16 3hozE1 PRO 86 HG3 0.03 0.08 0.14 -0.04 2.03 2.24 3hozE1 PRO 86 HD2 0.03 0.01 0.23 -0.04 3.68 3.91 3hozE1 PRO 86 HD3 0.04 0.60 0.53 -0.04 3.65 4.78 3hozE1 SER 87 H 0.01 0.10 -0.57 -0.55 8.46 7.46 3hozE1 SER 87 HA -0.07 0.18 0.82 -0.75 4.49 4.67 3hozE1 SER 87 HB2 -0.04 0.04 -0.18 -0.04 3.95 3.73 3hozE1 SER 87 HB3 -0.02 -0.04 0.03 -0.04 3.93 3.86 3hozE1 VAL 88 H -0.07 0.34 0.13 -0.55 8.24 8.10 3hozE1 VAL 88 HA 0.02 -0.03 0.49 -0.75 4.13 3.86 3hozE1 VAL 88 HB -0.20 0.02 0.17 -0.04 2.12 2.07 3hozE1 VAL 88 HG13 -0.05 0.03 -0.13 -0.04 0.97 0.77 3hozE1 VAL 88 HG23 0.07 0.01 0.03 -0.04 0.95 1.01 3hozE1 GLY 89 H 0.02 0.08 0.25 -0.55 8.43 8.23 3hozE1 GLY 89 HA2 -0.02 0.18 0.66 -0.51 4.01 4.32 3hozE1 GLY 89 HA3 0.01 0.04 0.41 -0.51 4.01 3.96 3hozE1 VAL 90 H -0.00 0.23 0.18 -0.55 8.24 8.10 3hozE1 VAL 90 HA 0.01 0.08 0.38 -0.75 4.13 3.85 3hozE1 VAL 90 HB -0.00 -0.16 0.04 -0.04 2.12 1.95 3hozE1 VAL 90 HG13 0.01 0.02 -0.02 -0.04 0.97 0.94 3hozE1 VAL 90 HG23 0.01 0.07 -0.15 -0.04 0.95 0.84 3hozE1 LYS 91 H 0.03 -0.15 -0.78 -0.55 8.42 6.97 3hozE1 LYS 91 HA 0.04 0.21 0.50 -0.75 4.32 4.32 3hozE1 LYS 91 HB2 0.04 -0.17 0.15 -0.04 1.87 1.85 3hozE1 LYS 91 HB3 0.04 0.12 0.02 -0.04 1.79 1.92 3hozE1 LYS 91 HG2 0.02 0.10 -0.03 -0.04 1.46 1.51 3hozE1 LYS 91 HG3 0.02 -0.16 0.02 -0.04 1.46 1.31 3hozE1 LYS 91 HD2 0.02 -0.02 0.04 -0.04 1.69 1.69 3hozE1 LYS 91 HD3 0.03 0.07 0.01 -0.04 1.68 1.74 3hozE1 LYS 91 HE2 0.02 0.04 -0.01 -0.04 2.99 3.00 3hozE1 LYS 91 HE3 0.01 -0.05 0.01 -0.04 2.99 2.93 3hozE1 THR 92 H 0.07 0.03 0.05 -0.55 8.28 7.88 3hozE1 THR 92 HA 0.12 0.08 0.29 -0.75 4.39 4.13 3hozE1 THR 92 HB 0.13 0.01 0.06 -0.04 4.32 4.49 3hozE1 THR 92 HG23 0.20 0.02 0.07 -0.04 1.22 1.48 3hozE1 MET 93 H 0.10 0.08 -1.16 -0.55 8.47 6.94 3hozE1 MET 93 HA 0.29 0.08 0.48 -0.75 4.52 4.62 3hozE1 MET 93 HB2 0.06 -0.05 -0.06 -0.04 2.15 2.06 3hozE1 MET 93 HB3 0.09 0.10 0.04 -0.04 2.03 2.21 3hozE1 MET 93 HG2 0.08 0.22 -0.07 -0.04 2.63 2.81 3hozE1 MET 93 HG3 0.15 0.05 -0.23 -0.04 2.56 2.48 3hozE1 MET 93 HE3 -0.17 -0.02 -0.16 -0.04 2.10 1.70 3hozE1 LYS 94 H 0.10 0.35 0.07 -0.55 8.42 8.38 3hozE1 LYS 94 HA 0.09 0.06 0.33 -0.75 4.32 4.04 3hozE1 LYS 94 HB2 0.06 0.05 0.19 -0.04 1.87 2.13 3hozE1 LYS 94 HB3 0.06 0.01 0.06 -0.04 1.79 1.89 3hozE1 LYS 94 HG2 0.03 -0.02 0.02 -0.04 1.46 1.45 3hozE1 LYS 94 HG3 0.04 -0.00 0.00 -0.04 1.46 1.46 3hozE1 LYS 94 HD2 0.04 -0.01 0.07 -0.04 1.69 1.76 3hozE1 LYS 94 HD3 0.04 0.01 0.05 -0.04 1.68 1.73 3hozE1 LYS 94 HE2 0.02 -0.01 0.01 -0.04 2.99 2.98 3hozE1 LYS 94 HE3 0.02 0.06 0.01 -0.04 2.99 3.03 3hozE1 THR 95 H 0.15 0.09 -0.95 -0.55 8.28 7.02 3hozE1 THR 95 HA 0.10 0.04 0.29 -0.75 4.39 4.06 3hozE1 THR 95 HB 0.22 0.32 0.18 -0.04 4.32 5.00 3hozE1 THR 95 HG23 0.17 0.00 -0.11 -0.04 1.22 1.25 3hozE1 PHE 96 H 0.37 0.35 0.10 -0.55 8.34 8.61 3hozE1 PHE 96 HA 0.12 0.01 0.40 -0.75 4.62 4.41 3hozE1 PHE 96 HB2 0.14 -0.02 0.12 -0.04 3.15 3.35 3hozE1 PHE 96 HB3 0.26 0.08 0.20 -0.04 3.06 3.55 3hozE1 PHE 96 HD2 0.27 -0.01 -0.11 -0.04 7.28 7.39 3hozE1 PHE 96 HE2 0.15 0.04 -0.18 -0.04 7.38 7.35 3hozE1 PHE 96 HZ 0.11 -0.02 -0.54 -0.04 7.32 6.83 3hozE1 VAL 97 H 0.28 0.76 -0.20 -0.55 8.24 8.52 3hozE1 VAL 97 HA -0.06 0.04 0.32 -0.75 4.13 3.68 3hozE1 VAL 97 HB 0.10 -0.02 -0.03 -0.04 2.12 2.13 3hozE1 VAL 97 HG13 0.04 0.02 -0.19 -0.04 0.97 0.80 3hozE1 VAL 97 HG23 0.22 0.01 -0.16 -0.04 0.95 0.97 3hozE1 ILE 98 H 0.04 0.52 -0.13 -0.55 8.25 8.14 3hozE1 ILE 98 HA -0.05 0.07 0.51 -0.75 4.18 3.95 3hozE1 ILE 98 HB -0.01 0.08 0.07 -0.04 1.89 1.99 3hozE1 ILE 98 HG12 0.00 -0.04 0.01 -0.04 1.49 1.42 3hozE1 ILE 98 HG13 0.03 0.37 0.23 -0.04 1.21 1.81 3hozE1 ILE 98 HG23 -0.04 -0.02 0.02 -0.04 0.93 0.85 3hozE1 ILE 98 HD13 0.01 -0.05 0.02 -0.04 0.88 0.82 3hozE1 HIS 99 H 0.02 0.38 -0.32 -0.55 8.41 7.95 3hozE1 HIS 99 HA -0.21 0.00 0.39 -0.75 4.63 4.06 3hozE1 HIS 99 HB2 -0.10 0.00 0.04 -0.04 3.26 3.16 3hozE1 HIS 99 HB3 -0.25 0.25 0.18 -0.04 3.20 3.34 3hozE1 HIS 99 HD2 -0.11 -0.05 -0.03 -0.04 6.97 6.73 3hozE1 HIS 99 HE1 -0.68 0.02 -0.07 -0.04 7.75 6.98 3hozE1 ILE 100 H -0.24 0.49 -0.26 -0.55 8.25 7.69 3hozE1 ILE 100 HA -0.73 0.04 0.41 -0.75 4.18 3.15 3hozE1 ILE 100 HB -0.20 0.19 -0.01 -0.04 1.89 1.84 3hozE1 ILE 100 HG12 -0.01 -0.02 -0.01 -0.04 1.49 1.41 3hozE1 ILE 100 HG13 -0.54 0.10 0.07 -0.04 1.21 0.80 3hozE1 ILE 100 HG23 0.07 -0.01 -0.11 -0.04 0.93 0.84 3hozE1 ILE 100 HD13 -0.68 -0.03 -0.08 -0.04 0.88 0.06 3hozE1 GLN 101 H -0.15 0.18 -0.33 -0.55 8.47 7.62 3hozE1 GLN 101 HA -0.09 0.10 0.49 -0.75 4.36 4.10 3hozE1 GLN 101 HB2 -0.06 0.10 0.08 -0.04 2.15 2.23 3hozE1 GLN 101 HB3 -0.07 -0.03 0.20 -0.04 2.02 2.07 3hozE1 GLN 101 HG2 -0.05 -0.03 -0.08 -0.04 2.40 2.20 3hozE1 GLN 101 HG3 -0.04 0.04 0.08 -0.04 2.39 2.43 3hozE1 GLN 101 HE21 -0.01 -0.02 -0.01 -0.04 6.97 6.89 3hozE1 GLN 101 HE22 -0.02 -0.01 0.00 -0.04 7.69 7.62 3hozE1 GLU 102 H -0.20 0.34 -0.29 -0.55 8.60 7.90 3hozE1 GLU 102 HA -0.12 0.18 0.86 -0.75 4.29 4.45 3hozE1 GLU 102 HB2 -0.19 0.04 0.10 -0.04 2.09 1.99 3hozE1 GLU 102 HB3 -0.13 -0.06 0.03 -0.04 1.99 1.79 3hozE1 GLU 102 HG2 -0.08 -0.01 -0.09 -0.04 2.34 2.12 3hozE1 GLU 102 HG3 -0.10 0.19 -0.01 -0.04 2.34 2.37 3hozE1 LYS 103 H -0.39 0.52 0.09 -0.55 8.42 8.09 3hozE1 LYS 103 HA -0.26 0.01 0.43 -0.75 4.32 3.74 3hozE1 LYS 103 HB2 -1.37 -0.03 0.03 -0.04 1.87 0.46 3hozE1 LYS 103 HB3 -0.60 -0.04 0.07 -0.04 1.79 1.17 3hozE1 LYS 103 HG2 -0.54 0.23 0.22 -0.04 1.46 1.33 3hozE1 LYS 103 HG3 -0.50 -0.11 -0.01 -0.04 1.46 0.80 3hozE1 LYS 103 HD2 -0.21 -0.02 0.03 -0.04 1.69 1.44 3hozE1 LYS 103 HD3 -0.28 -0.00 0.01 -0.04 1.68 1.36 3hozE1 LYS 103 HE2 -0.63 -0.01 0.02 -0.04 2.99 2.33 3hozE1 LYS 103 HE3 -0.72 -0.03 -0.00 -0.04 2.99 2.21 3hozE1 ASN 104 H -0.29 -0.04 -0.98 -0.55 8.53 6.67 3hozE1 ASN 104 HA -0.11 0.07 0.20 -0.75 4.76 4.17 3hozE1 ASN 104 HB2 -0.04 0.06 -0.12 -0.04 2.88 2.73 3hozE1 ASN 104 HB3 -0.01 -0.04 0.11 -0.04 2.79 2.80 3hozE1 ASN 104 HD21 -0.05 -0.06 0.02 -0.04 7.03 6.91 3hozE1 ASN 104 HD22 -0.03 -0.07 -0.02 -0.04 7.74 7.57 3hozE1 PHE 105 H -0.10 0.27 -0.00 -0.55 8.34 7.95 3hozE1 PHE 105 HA 0.01 0.17 0.75 -0.75 4.62 4.80 3hozE1 PHE 105 HB2 -0.02 -0.05 0.17 -0.04 3.15 3.21 3hozE1 PHE 105 HB3 0.02 0.17 0.38 -0.04 3.06 3.59 3hozE1 PHE 105 HD2 -0.03 0.06 -0.10 -0.04 7.28 7.18 3hozE1 PHE 105 HE2 -0.44 -0.03 -0.07 -0.04 7.38 6.80 3hozE1 PHE 105 HZ -0.23 -0.06 -0.05 -0.04 7.32 6.94 3hozE1 GLN 106 H 0.26 0.10 0.18 -0.55 8.47 8.46 3hozE1 GLN 106 HA 0.09 -0.00 0.45 -0.75 4.36 4.14 3hozE1 GLN 106 HB2 0.10 0.31 0.17 -0.04 2.15 2.68 3hozE1 GLN 106 HB3 0.11 -0.06 -0.13 -0.04 2.02 1.89 3hozE1 GLN 106 HG2 0.06 -0.07 0.10 -0.04 2.40 2.45 3hozE1 GLN 106 HG3 0.07 0.00 -0.11 -0.04 2.39 2.31 3hozE1 GLN 106 HE21 0.04 -0.01 -0.26 -0.04 6.97 6.70 3hozE1 GLN 106 HE22 0.05 -0.01 0.04 -0.04 7.69 7.72 3hozE1 THR 107 H 0.12 0.32 0.17 -0.55 8.28 8.35 3hozE1 THR 107 HA 0.08 0.31 1.04 -0.75 4.39 5.06 3hozE1 THR 107 HB -0.01 -0.10 0.07 -0.04 4.32 4.24 3hozE1 THR 107 HG23 0.01 0.00 -0.15 -0.04 1.22 1.04 3hozE1 GLY 108 H 0.10 0.49 0.32 -0.55 8.43 8.79 3hozE1 GLY 108 HA2 0.19 0.23 1.07 -0.51 4.01 5.00 3hozE1 GLY 108 HA3 0.14 -0.00 0.36 -0.51 4.01 3.99 3hozE1 ILE 109 H 0.04 0.70 0.31 -0.55 8.25 8.74 3hozE1 ILE 109 HA 0.02 0.20 1.04 -0.75 4.18 4.69 3hozE1 ILE 109 HB -0.31 0.04 0.19 -0.04 1.89 1.77 3hozE1 ILE 109 HG12 -0.19 0.02 -0.07 -0.04 1.49 1.21 3hozE1 ILE 109 HG13 -0.10 -0.10 -0.14 -0.04 1.21 0.82 3hozE1 ILE 109 HG23 -0.48 -0.02 -0.23 -0.04 0.93 0.16 3hozE1 ILE 109 HD13 -0.28 0.01 -0.10 -0.04 0.88 0.47 3hozE1 PHE 110 H 0.08 0.85 0.46 -0.55 8.34 9.18 3hozE1 PHE 110 HA -0.44 0.23 1.16 -0.75 4.62 4.81 3hozE1 PHE 110 HB2 -0.40 0.03 -0.11 -0.04 3.15 2.63 3hozE1 PHE 110 HB3 -0.16 -0.10 0.15 -0.04 3.06 2.91 3hozE1 PHE 110 HD2 -0.71 0.03 -0.34 -0.04 7.28 6.23 3hozE1 PHE 110 HE2 -0.18 -0.03 -0.25 -0.04 7.38 6.88 3hozE1 PHE 110 HZ -0.09 -0.10 -0.16 -0.04 7.32 6.93 3hozE1 VAL 111 H -0.44 0.76 0.26 -0.55 8.24 8.28 3hozE1 VAL 111 HA -0.20 0.26 0.94 -0.75 4.13 4.38 3hozE1 VAL 111 HB -1.08 -0.07 0.12 -0.04 2.12 1.05 3hozE1 VAL 111 HG13 -0.16 0.01 -0.15 -0.04 0.97 0.63 3hozE1 VAL 111 HG23 -0.70 0.01 -0.18 -0.04 0.95 0.03 3hozE1 TYR 112 H -0.09 0.26 0.02 -0.55 8.29 7.94 3hozE1 TYR 112 HA 0.11 0.01 0.35 -0.75 4.56 4.28 3hozE1 TYR 112 HB2 -0.13 -0.05 0.07 -0.04 3.06 2.91 3hozE1 TYR 112 HB3 -0.35 0.01 -0.01 -0.04 2.98 2.59 3hozE1 TYR 112 HD2 -0.10 0.04 -0.61 -0.04 7.15 6.43 3hozE1 TYR 112 HE2 -0.05 0.02 -0.16 -0.04 6.85 6.62 3hozE1 GLN 113 H 0.19 0.11 0.16 -0.55 8.47 8.38 3hozE1 GLN 113 HA 0.19 0.14 0.99 -0.75 4.36 4.93 3hozE1 GLN 113 HB2 0.09 0.07 0.26 -0.04 2.15 2.53 3hozE1 GLN 113 HB3 0.09 -0.02 0.15 -0.04 2.02 2.20 3hozE1 GLN 113 HG2 0.14 0.02 -0.02 -0.04 2.40 2.50 3hozE1 GLN 113 HG3 0.13 0.18 -0.07 -0.04 2.39 2.59 3hozE1 GLN 113 HE21 0.07 0.02 -0.02 -0.04 6.97 6.99 3hozE1 GLN 113 HE22 0.09 0.01 -0.36 -0.04 7.69 7.39 3hozE1 ASN 114 H 0.01 0.79 0.43 -0.55 8.53 9.21 3hozE1 ASN 114 HA 0.00 0.16 0.95 -0.75 4.76 5.11 3hozE1 ASN 114 HB2 -0.03 0.16 0.12 -0.04 2.88 3.09 3hozE1 ASN 114 HB3 -0.04 -0.04 0.19 -0.04 2.79 2.86 3hozE1 ASN 114 HD21 0.02 -0.01 0.02 -0.04 7.03 7.02 3hozE1 ASN 114 HD22 0.00 0.01 0.06 -0.04 7.74 7.77 3hozE1 ASN 115 H -0.38 0.06 0.01 -0.55 8.53 7.68 3hozE1 ASN 115 HA -1.00 0.05 0.19 -0.75 4.76 3.25 3hozE1 ASN 115 HB2 -0.27 -0.03 0.23 -0.04 2.88 2.77 3hozE1 ASN 115 HB3 -0.21 0.67 0.75 -0.04 2.79 3.96 3hozE1 ASN 115 HD21 -0.10 -0.09 -0.30 -0.04 7.03 6.49 3hozE1 ASN 115 HD22 -0.14 0.13 -0.13 -0.04 7.74 7.55 3hozE1 ILE 116 H -0.33 0.34 0.15 -0.55 8.25 7.86 3hozE1 ILE 116 HA -0.20 0.26 0.72 -0.75 4.18 4.21 3hozE1 ILE 116 HB -0.17 0.03 -0.07 -0.04 1.89 1.64 3hozE1 ILE 116 HG12 -0.31 0.02 0.01 -0.04 1.49 1.18 3hozE1 ILE 116 HG13 -0.33 -0.11 -0.55 -0.04 1.21 0.18 3hozE1 ILE 116 HG23 -0.15 0.02 -0.20 -0.04 0.93 0.57 3hozE1 ILE 116 HD13 -0.38 0.02 -0.12 -0.04 0.88 0.35 3hozE1 THR 117 H -0.09 0.28 0.07 -0.55 8.28 7.98 3hozE1 THR 117 HA -0.06 0.20 0.40 -0.75 4.39 4.18 3hozE1 THR 117 HB -0.03 -0.04 0.14 -0.04 4.32 4.35 3hozE1 THR 117 HG23 -0.02 -0.22 0.05 -0.04 1.22 0.98 3hozE1 PRO 118 HA -0.03 0.14 0.45 -0.51 4.44 4.49 3hozE1 PRO 118 HB2 -0.02 0.02 0.04 -0.04 2.28 2.28 3hozE1 PRO 118 HB3 -0.02 0.09 0.13 -0.04 2.02 2.17 3hozE1 PRO 118 HG2 -0.03 0.07 0.09 -0.04 2.03 2.12 3hozE1 PRO 118 HG3 -0.04 0.11 0.12 -0.04 2.03 2.17 3hozE1 PRO 118 HD2 -0.03 0.06 0.22 -0.04 3.68 3.90 3hozE1 PRO 118 HD3 -0.05 0.16 0.22 -0.04 3.65 3.94 3hozE1 SER 119 H -0.02 -0.06 -0.42 -0.55 8.46 7.42 3hozE1 SER 119 HA -0.00 0.25 0.66 -0.75 4.49 4.64 3hozE1 SER 119 HB2 -0.01 -0.12 0.01 -0.04 3.95 3.80 3hozE1 SER 119 HB3 0.00 0.09 0.03 -0.04 3.93 4.01 3hozE1 ALA 120 H -0.02 -0.09 -0.26 -0.55 8.40 7.49 3hozE1 ALA 120 HA 0.01 0.17 0.50 -0.75 4.34 4.26 3hozE1 ALA 120 HB3 -0.03 -0.02 -0.06 -0.04 1.41 1.26 3hozE1 MET 121 H -0.02 0.54 -0.16 -0.55 8.47 8.28 3hozE1 MET 121 HA 0.01 0.09 0.41 -0.75 4.52 4.27 3hozE1 MET 121 HB2 -0.01 0.07 -0.02 -0.04 2.15 2.15 3hozE1 MET 121 HB3 0.00 0.02 0.02 -0.04 2.03 2.04 3hozE1 MET 121 HG2 -0.03 -0.03 -0.10 -0.04 2.63 2.43 3hozE1 MET 121 HG3 -0.05 0.07 -0.18 -0.04 2.56 2.36 3hozE1 MET 121 HE3 -0.07 0.00 -0.16 -0.04 2.10 1.84 3hozE1 LYS 122 H 0.01 0.14 -0.65 -0.55 8.42 7.35 3hozE1 LYS 122 HA 0.02 0.08 0.36 -0.75 4.32 4.01 3hozE1 LYS 122 HB2 0.01 0.15 0.02 -0.04 1.87 2.01 3hozE1 LYS 122 HB3 0.01 -0.00 0.15 -0.04 1.79 1.91 3hozE1 LYS 122 HG2 0.00 0.03 0.05 -0.04 1.46 1.50 3hozE1 LYS 122 HG3 0.00 -0.03 0.12 -0.04 1.46 1.50 3hozE1 LYS 122 HD2 0.01 -0.01 0.04 -0.04 1.69 1.69 3hozE1 LYS 122 HD3 0.01 -0.01 -0.00 -0.04 1.68 1.64 3hozE1 LYS 122 HE2 -0.00 0.01 0.03 -0.04 2.99 2.99 3hozE1 LYS 122 HE3 -0.00 -0.03 0.03 -0.04 2.99 2.95 3hozE1 LEU 123 H 0.04 0.14 -1.10 -0.55 8.37 6.90 3hozE1 LEU 123 HA 0.04 0.20 0.75 -0.75 4.35 4.59 3hozE1 LEU 123 HB2 0.08 -0.02 -0.10 -0.04 1.64 1.56 3hozE1 LEU 123 HB3 0.05 -0.03 0.04 -0.04 1.64 1.66 3hozE1 LEU 123 HG 0.03 0.29 -0.08 -0.04 1.64 1.84 3hozE1 LEU 123 HD13 0.05 -0.08 0.05 -0.04 0.93 0.91 3hozE1 LEU 123 HD23 0.02 0.03 -0.27 -0.04 0.89 0.64 3hozE1 VAL 124 H 0.05 0.34 -0.05 -0.55 8.24 8.03 3hozE1 VAL 124 HA 0.10 0.11 0.61 -0.75 4.13 4.19 3hozE1 VAL 124 HB 0.06 0.10 0.16 -0.04 2.12 2.40 3hozE1 VAL 124 HG13 0.09 0.01 -0.06 -0.04 0.97 0.97 3hozE1 VAL 124 HG23 0.10 -0.02 -0.01 -0.04 0.95 0.98 3hozE1 PRO 125 HA 0.03 0.14 0.46 -0.51 4.44 4.57 3hozE1 PRO 125 HB2 0.02 0.03 0.16 -0.04 2.28 2.46 3hozE1 PRO 125 HB3 0.03 -0.01 0.10 -0.04 2.02 2.10 3hozE1 PRO 125 HG2 0.02 0.12 -0.23 -0.04 2.03 1.90 3hozE1 PRO 125 HG3 0.02 -0.00 -0.01 -0.04 2.03 2.00 3hozE1 PRO 125 HD2 0.04 -0.06 -0.25 -0.04 3.68 3.36 3hozE1 PRO 125 HD3 0.04 0.14 0.14 -0.04 3.65 3.93 3hozE1 SER 126 H 0.04 0.26 -1.19 -0.55 8.46 7.02 3hozE1 SER 126 HA 0.02 0.21 0.93 -0.75 4.49 4.90 3hozE1 SER 126 HB2 0.02 -0.05 0.08 -0.04 3.95 3.96 3hozE1 SER 126 HB3 0.03 -0.03 -0.18 -0.04 3.93 3.71 3hozE1 ILE 127 H 0.03 0.21 -0.10 -0.55 8.25 7.83 3hozE1 ILE 127 HA 0.01 0.22 0.87 -0.75 4.18 4.53 3hozE1 ILE 127 HB -0.01 -0.01 0.08 -0.04 1.89 1.91 3hozE1 ILE 127 HG12 0.02 0.01 -0.05 -0.04 1.49 1.44 3hozE1 ILE 127 HG13 0.01 0.13 -0.03 -0.04 1.21 1.27 3hozE1 ILE 127 HG23 0.01 -0.00 -0.31 -0.04 0.93 0.59 3hozE1 ILE 127 HD13 -0.03 -0.02 -0.13 -0.04 0.88 0.66 3hozE1 PRO 128 HA 0.02 0.41 0.07 -0.51 4.44 4.43 3hozE1 PRO 128 HB2 0.02 -0.04 -0.02 -0.04 2.28 2.20 3hozE1 PRO 128 HB3 0.02 0.03 0.05 -0.04 2.02 2.08 3hozE1 PRO 128 HG2 0.01 0.00 -0.04 -0.04 2.03 1.96 3hozE1 PRO 128 HG3 0.01 -0.00 -0.04 -0.04 2.03 1.97 3hozE1 PRO 128 HD2 0.01 0.17 -0.37 -0.04 3.68 3.45 3hozE1 PRO 128 HD3 0.02 0.06 -0.24 -0.04 3.65 3.44 3hozE1 PRO 129 HA 0.02 0.01 0.35 -0.51 4.44 4.32 3hozE1 PRO 129 HB2 0.03 0.04 0.05 -0.04 2.28 2.35 3hozE1 PRO 129 HB3 0.02 -0.01 0.13 -0.04 2.02 2.11 3hozE1 PRO 129 HG2 0.02 -0.16 0.17 -0.04 2.03 2.02 3hozE1 PRO 129 HG3 0.02 0.04 0.13 -0.04 2.03 2.18 3hozE1 PRO 129 HD2 0.01 0.19 0.29 -0.04 3.68 4.13 3hozE1 PRO 129 HD3 0.01 0.01 0.26 -0.04 3.65 3.90 3hozE1 ALA 130 H 0.03 0.10 0.06 -0.55 8.40 8.04 3hozE1 ALA 130 HA 0.05 -0.01 0.42 -0.75 4.34 4.04 3hozE1 ALA 130 HB3 0.02 0.09 -0.05 -0.04 1.41 1.44 3hozE1 THR 131 H 0.06 0.55 0.29 -0.55 8.28 8.63 3hozE1 THR 131 HA 0.05 0.20 0.98 -0.75 4.39 4.86 3hozE1 THR 131 HB 0.06 -0.04 -0.03 -0.04 4.32 4.27 3hozE1 THR 131 HG23 0.04 0.05 -0.03 -0.04 1.22 1.24 3hozE1 ILE 132 H 0.08 0.18 0.17 -0.55 8.25 8.14 3hozE1 ILE 132 HA 0.14 0.14 1.26 -0.75 4.18 4.97 3hozE1 ILE 132 HB 0.19 -0.09 -0.05 -0.04 1.89 1.90 3hozE1 ILE 132 HG12 0.09 0.03 -0.29 -0.04 1.49 1.28 3hozE1 ILE 132 HG13 0.10 0.04 0.11 -0.04 1.21 1.42 3hozE1 ILE 132 HG23 0.37 0.04 -0.00 -0.04 0.93 1.30 3hozE1 ILE 132 HD13 0.14 -0.01 0.02 -0.04 0.88 0.99 3hozE1 GLU 133 H 0.17 1.08 0.46 -0.55 8.60 9.77 3hozE1 GLU 133 HA 0.15 0.14 1.02 -0.75 4.29 4.84 3hozE1 GLU 133 HB2 0.08 -0.04 0.07 -0.04 2.09 2.16 3hozE1 GLU 133 HB3 0.37 0.02 -0.09 -0.04 1.99 2.26 3hozE1 GLU 133 HG2 0.16 0.02 -0.04 -0.04 2.34 2.44 3hozE1 GLU 133 HG3 0.10 -0.02 -0.26 -0.04 2.34 2.12 3hozE1 THR 134 H 0.13 0.20 0.21 -0.55 8.28 8.26 3hozE1 THR 134 HA 0.10 0.24 1.08 -0.75 4.39 5.06 3hozE1 THR 134 HB 0.06 -0.01 -0.00 -0.04 4.32 4.32 3hozE1 THR 134 HG23 0.03 0.00 0.08 -0.04 1.22 1.30 3hozE1 PHE 135 H -0.08 0.66 0.42 -0.55 8.34 8.79 3hozE1 PHE 135 HA -0.25 0.11 0.83 -0.75 4.62 4.55 3hozE1 PHE 135 HB2 -0.24 0.01 -0.06 -0.04 3.15 2.82 3hozE1 PHE 135 HB3 -0.22 0.09 -0.04 -0.04 3.06 2.86 3hozE1 PHE 135 HD2 -0.11 -0.12 -0.60 -0.04 7.28 6.41 3hozE1 PHE 135 HE2 -0.04 -0.03 -0.14 -0.04 7.38 7.13 3hozE1 PHE 135 HZ -0.05 0.15 -0.26 -0.04 7.32 7.11 3hozE1 ASN 136 H -0.26 0.11 0.12 -0.55 8.53 7.96 3hozE1 ASN 136 HA -0.84 0.21 0.64 -0.75 4.76 4.02 3hozE1 ASN 136 HB2 0.14 0.05 0.00 -0.04 2.88 3.04 3hozE1 ASN 136 HB3 -0.06 -0.01 0.07 -0.04 2.79 2.74 3hozE1 ASN 136 HD21 0.14 -0.01 0.07 -0.04 7.03 7.20 3hozE1 ASN 136 HD22 0.36 0.03 -0.01 -0.04 7.74 8.08 3hozE1 GLU 137 H 0.06 0.31 0.22 -0.55 8.60 8.64 3hozE1 GLU 137 HA 0.01 0.20 0.55 -0.75 4.29 4.29 3hozE1 GLU 137 HB2 0.09 -0.09 0.23 -0.04 2.09 2.28 3hozE1 GLU 137 HB3 0.09 -0.03 -0.01 -0.04 1.99 2.00 3hozE1 GLU 137 HG2 0.07 0.04 -0.04 -0.04 2.34 2.36 3hozE1 GLU 137 HG3 0.12 0.36 0.22 -0.04 2.34 2.99 3hozE1 ALA 138 H 0.06 0.19 0.10 -0.55 8.40 8.21 3hozE1 ALA 138 HA 0.03 0.05 0.34 -0.75 4.34 4.01 3hozE1 ALA 138 HB3 0.04 0.02 0.07 -0.04 1.41 1.50 3hozE1 ALA 139 H 0.01 -0.02 -1.01 -0.55 8.40 6.84 3hozE1 ALA 139 HA -0.01 0.08 0.46 -0.75 4.34 4.12 3hozE1 ALA 139 HB3 -0.04 0.05 -0.00 -0.04 1.41 1.37 3hozE1 LEU 140 H 0.02 0.53 -0.12 -0.55 8.37 8.25 3hozE1 LEU 140 HA 0.04 0.17 0.69 -0.75 4.35 4.50 3hozE1 LEU 140 HB2 0.01 0.02 0.00 -0.04 1.64 1.63 3hozE1 LEU 140 HB3 0.02 -0.02 0.04 -0.04 1.64 1.64 3hozE1 LEU 140 HG 0.03 0.25 0.12 -0.04 1.64 1.99 3hozE1 LEU 140 HD13 -0.08 -0.01 -0.09 -0.04 0.93 0.70 3hozE1 LEU 140 HD23 0.31 -0.09 -0.20 -0.04 0.89 0.86 3hozE1 VAL 141 H 0.00 0.17 -0.34 -0.55 8.24 7.52 3hozE1 VAL 141 HA -0.03 -0.03 0.12 -0.75 4.13 3.44 3hozE1 VAL 141 HB -0.01 0.05 -0.02 -0.04 2.12 2.10 3hozE1 VAL 141 HG13 -0.02 -0.02 -0.09 -0.04 0.97 0.79 3hozE1 VAL 141 HG23 0.02 -0.02 -0.02 -0.04 0.95 0.89 3hozE1 VAL 142 H -0.03 0.18 -0.41 -0.55 8.24 7.43 3hozE1 VAL 142 HA -0.10 0.18 0.86 -0.75 4.13 4.32 3hozE1 VAL 142 HB -0.03 -0.01 -0.06 -0.04 2.12 1.98 3hozE1 VAL 142 HG13 -0.03 -0.01 -0.24 -0.04 0.97 0.65 3hozE1 VAL 142 HG23 -0.04 -0.01 -0.17 -0.04 0.95 0.69 3hozE1 ASN 143 H -0.18 0.17 0.04 -0.55 8.53 8.02 3hozE1 ASN 143 HA -0.05 0.17 0.66 -0.75 4.76 4.78 3hozE1 ASN 143 HB2 -0.34 0.10 0.08 -0.04 2.88 2.67 3hozE1 ASN 143 HB3 -0.68 -0.04 0.13 -0.04 2.79 2.15 3hozE1 ASN 143 HD21 0.39 0.04 -0.06 -0.04 7.03 7.36 3hozE1 ASN 143 HD22 -0.15 0.02 -0.01 -0.04 7.74 7.56 3hozE1 ILE 144 H -0.05 0.30 0.15 -0.55 8.25 8.10 3hozE1 ILE 144 HA -0.01 0.07 0.33 -0.75 4.18 3.82 3hozE1 ILE 144 HB -0.07 -0.01 -0.02 -0.04 1.89 1.75 3hozE1 ILE 144 HG12 -0.07 0.11 0.11 -0.04 1.49 1.61 3hozE1 ILE 144 HG13 -0.21 -0.20 0.09 -0.04 1.21 0.85 3hozE1 ILE 144 HG23 -0.05 0.04 0.04 -0.04 0.93 0.93 3hozE1 ILE 144 HD13 -0.09 0.01 -0.11 -0.04 0.88 0.64 3hozE1 THR 145 H -0.27 0.10 -0.11 -0.55 8.28 7.46 3hozE1 THR 145 HA -0.14 0.06 0.25 -0.75 4.39 3.81 3hozE1 THR 145 HB -0.29 0.08 0.04 -0.04 4.32 4.11 3hozE1 THR 145 HG23 -1.47 -0.02 0.03 -0.04 1.22 -0.29 3hozE1 HIS 146 H 0.16 0.20 -0.97 -0.55 8.41 7.25 3hozE1 HIS 146 HA -0.04 0.15 0.55 -0.75 4.63 4.52 3hozE1 HIS 146 HB2 -0.03 0.23 0.06 -0.04 3.26 3.48 3hozE1 HIS 146 HB3 -0.04 -0.07 0.07 -0.04 3.20 3.12 3hozE1 HIS 146 HD2 -0.03 -0.02 -0.00 -0.04 6.97 6.87 3hozE1 HIS 146 HE1 0.03 0.01 -0.09 -0.04 7.75 7.66 3hozE1 HIS 147 H 0.13 0.88 -0.03 -0.55 8.41 8.84 3hozE1 HIS 147 HA 0.01 -0.00 0.46 -0.75 4.63 4.35 3hozE1 HIS 147 HB2 -0.01 0.03 0.15 -0.04 3.26 3.38 3hozE1 HIS 147 HB3 -0.01 0.00 0.06 -0.04 3.20 3.20 3hozE1 HIS 147 HD2 -0.01 0.04 0.03 -0.04 6.97 6.99 3hozE1 HIS 147 HE1 -0.00 0.04 0.01 -0.04 7.75 7.75 3hozE1 GLU 148 H -0.81 0.08 0.18 -0.55 8.60 7.51 3hozE1 GLU 148 HA -0.14 0.11 0.37 -0.75 4.29 3.88 3hozE1 GLU 148 HB2 -0.40 -0.01 0.19 -0.04 2.09 1.83 3hozE1 GLU 148 HB3 -0.27 -0.07 0.10 -0.04 1.99 1.71 3hozE1 GLU 148 HG2 -0.06 0.01 -0.07 -0.04 2.34 2.18 3hozE1 GLU 148 HG3 -0.10 0.04 0.07 -0.04 2.34 2.31 3hozE1 LEU 149 H 0.31 -0.01 -0.22 -0.55 8.37 7.90 3hozE1 LEU 149 HA 0.06 0.12 0.46 -0.75 4.35 4.24 3hozE1 LEU 149 HB2 0.16 -0.00 -0.08 -0.04 1.64 1.68 3hozE1 LEU 149 HB3 0.08 0.00 0.10 -0.04 1.64 1.79 3hozE1 LEU 149 HG 0.39 -0.06 0.02 -0.04 1.64 1.94 3hozE1 LEU 149 HD13 0.07 0.00 -0.01 -0.04 0.93 0.94 3hozE1 LEU 149 HD23 0.06 -0.01 -0.10 -0.04 0.89 0.80 3hozE1 VAL 150 H 0.11 0.65 -0.40 -0.55 8.24 8.05 3hozE1 VAL 150 HA 0.08 0.15 0.99 -0.75 4.13 4.60 3hozE1 VAL 150 HB 0.03 0.17 0.01 -0.04 2.12 2.29 3hozE1 VAL 150 HG13 0.03 -0.02 -0.06 -0.04 0.97 0.88 3hozE1 VAL 150 HG23 0.09 -0.03 -0.12 -0.04 0.95 0.84 3hozE1 PRO 151 HA 0.00 0.12 0.52 -0.51 4.44 4.57 3hozE1 PRO 151 HB2 -0.10 0.06 -0.12 -0.04 2.28 2.07 3hozE1 PRO 151 HB3 -0.02 -0.01 0.01 -0.04 2.02 1.95 3hozE1 PRO 151 HG2 -0.07 -0.03 -0.15 -0.04 2.03 1.74 3hozE1 PRO 151 HG3 -0.03 -0.00 -0.05 -0.04 2.03 1.91 3hozE1 PRO 151 HD2 0.16 -0.02 0.21 -0.04 3.68 3.99 3hozE1 PRO 151 HD3 0.06 0.34 0.22 -0.04 3.65 4.22 3hozE1 LYS 152 H -0.04 0.26 0.21 -0.55 8.42 8.30 3hozE1 LYS 152 HA 0.05 0.08 0.58 -0.75 4.32 4.28 3hozE1 LYS 152 HB2 -0.02 -0.01 0.16 -0.04 1.87 1.96 3hozE1 LYS 152 HB3 -0.05 0.03 0.29 -0.04 1.79 2.02 3hozE1 LYS 152 HG2 -0.03 -0.06 0.01 -0.04 1.46 1.34 3hozE1 LYS 152 HG3 -0.01 0.13 -0.25 -0.04 1.46 1.29 3hozE1 LYS 152 HD2 0.02 0.01 0.09 -0.04 1.69 1.77 3hozE1 LYS 152 HD3 -0.01 -0.05 0.04 -0.04 1.68 1.62 3hozE1 LYS 152 HE2 -0.00 -0.06 0.00 -0.04 2.99 2.89 3hozE1 LYS 152 HE3 0.02 0.14 0.04 -0.04 2.99 3.15 3hozE1 HIS 153 H 0.22 0.16 0.21 -0.55 8.41 8.45 3hozE1 HIS 153 HA -0.04 0.13 0.65 -0.75 4.63 4.62 3hozE1 HIS 153 HB2 0.01 0.03 -0.04 -0.04 3.26 3.23 3hozE1 HIS 153 HB3 -0.00 -0.08 -0.07 -0.04 3.20 3.00 3hozE1 HIS 153 HD2 -0.01 -0.03 -0.16 -0.04 6.97 6.73 3hozE1 HIS 153 HE1 -0.02 0.03 -0.10 -0.04 7.75 7.61 3hozE1 ILE 154 H 0.04 -0.09 0.04 -0.55 8.25 7.68 3hozE1 ILE 154 HA 0.06 0.11 0.72 -0.75 4.18 4.32 3hozE1 ILE 154 HB -0.04 0.03 0.05 -0.04 1.89 1.88 3hozE1 ILE 154 HG12 0.02 0.01 0.08 -0.04 1.49 1.57 3hozE1 ILE 154 HG13 -0.00 0.06 -0.84 -0.04 1.21 0.39 3hozE1 ILE 154 HG23 0.02 0.06 -0.08 -0.04 0.93 0.89 3hozE1 ILE 154 HD13 -0.03 -0.02 -0.06 -0.04 0.88 0.74 3hozE1 ARG 155 H 0.08 0.16 0.08 -0.55 8.46 8.23 3hozE1 ARG 155 HA 0.07 0.03 0.29 -0.75 4.34 3.98 3hozE1 ARG 155 HB2 0.18 0.02 0.04 -0.04 1.90 2.10 3hozE1 ARG 155 HB3 0.13 -0.08 0.03 -0.04 1.80 1.84 3hozE1 ARG 155 HG2 -0.04 -0.01 -0.01 -0.04 1.67 1.57 3hozE1 ARG 155 HG3 0.01 -0.08 0.00 -0.04 1.67 1.57 3hozE1 ARG 155 HD2 -0.15 0.19 0.02 -0.04 3.22 3.24 3hozE1 ARG 155 HD3 -0.10 0.03 0.03 -0.04 3.22 3.13 3hozE1 LEU 156 H 0.14 0.11 0.10 -0.55 8.37 8.18 3hozE1 LEU 156 HA 0.09 0.09 0.74 -0.75 4.35 4.52 3hozE1 LEU 156 HB2 0.08 0.04 0.12 -0.04 1.64 1.85 3hozE1 LEU 156 HB3 0.07 -0.14 -0.13 -0.04 1.64 1.40 3hozE1 LEU 156 HG 0.04 0.24 -0.35 -0.04 1.64 1.53 3hozE1 LEU 156 HD13 0.15 -0.03 -0.24 -0.04 0.93 0.77 3hozE1 LEU 156 HD23 0.03 -0.01 0.01 -0.04 0.89 0.89 3hozE1 SER 157 H 0.01 0.17 0.08 -0.55 8.46 8.18 3hozE1 SER 157 HA 0.23 0.13 0.37 -0.75 4.49 4.46 3hozE1 SER 157 HB2 -0.03 0.19 0.12 -0.04 3.95 4.19 3hozE1 SER 157 HB3 -0.23 0.12 0.11 -0.04 3.93 3.88 3hozE1 SER 158 H 0.10 0.23 0.21 -0.55 8.46 8.45 3hozE1 SER 158 HA 0.05 0.11 0.37 -0.75 4.49 4.26 3hozE1 SER 158 HB2 0.03 0.03 0.16 -0.04 3.95 4.13 3hozE1 SER 158 HB3 0.05 0.05 0.18 -0.04 3.93 4.18 3hozE1 ASP 159 H 0.01 -0.12 -1.23 -0.55 8.40 6.52 3hozE1 ASP 159 HA -0.00 0.14 0.68 -0.75 4.63 4.70 3hozE1 ASP 159 HB2 -0.03 -0.06 0.09 -0.04 2.71 2.67 3hozE1 ASP 159 HB3 -0.02 0.04 -0.01 -0.04 2.70 2.66 3hozE1 GLU 160 H -0.01 0.07 0.07 -0.55 8.60 8.18 3hozE1 GLU 160 HA -0.02 0.03 0.34 -0.75 4.29 3.89 3hozE1 GLU 160 HB2 0.02 0.01 -0.01 -0.04 2.09 2.06 3hozE1 GLU 160 HB3 0.01 0.07 0.04 -0.04 1.99 2.07 3hozE1 GLU 160 HG2 -0.04 0.04 0.07 -0.04 2.34 2.37 3hozE1 GLU 160 HG3 -0.06 -0.07 0.13 -0.04 2.34 2.31 3hozE1 LYS 161 H 0.02 0.38 -0.68 -0.55 8.42 7.59 3hozE1 LYS 161 HA 0.03 0.09 0.50 -0.75 4.32 4.17 3hozE1 LYS 161 HB2 0.05 0.04 -0.02 -0.04 1.87 1.90 3hozE1 LYS 161 HB3 0.04 0.04 -0.05 -0.04 1.79 1.77 3hozE1 LYS 161 HG2 0.02 0.02 -0.32 -0.04 1.46 1.14 3hozE1 LYS 161 HG3 0.02 -0.06 -0.16 -0.04 1.46 1.21 3hozE1 LYS 161 HD2 0.04 0.07 -0.02 -0.04 1.69 1.74 3hozE1 LYS 161 HD3 0.04 -0.03 -0.01 -0.04 1.68 1.64 3hozE1 LYS 161 HE2 0.02 -0.04 -0.02 -0.04 2.99 2.91 3hozE1 LYS 161 HE3 0.02 -0.07 -0.04 -0.04 2.99 2.86 3hozE1 ARG 162 H 0.00 0.34 -0.08 -0.55 8.46 8.17 3hozE1 ARG 162 HA -0.01 -0.00 0.35 -0.75 4.34 3.93 3hozE1 ARG 162 HB2 0.00 0.19 0.28 -0.04 1.90 2.34 3hozE1 ARG 162 HB3 -0.01 0.03 0.14 -0.04 1.80 1.92 3hozE1 ARG 162 HG2 -0.01 -0.03 0.02 -0.04 1.67 1.61 3hozE1 ARG 162 HG3 -0.00 -0.03 0.12 -0.04 1.67 1.71 3hozE1 ARG 162 HD2 -0.00 -0.03 0.03 -0.04 3.22 3.17 3hozE1 ARG 162 HD3 0.00 -0.01 0.06 -0.04 3.22 3.23 3hozE1 GLU 163 H -0.03 0.43 -0.72 -0.55 8.60 7.74 3hozE1 GLU 163 HA -0.05 0.02 0.50 -0.75 4.29 4.00 3hozE1 GLU 163 HB2 -0.04 -0.02 -0.03 -0.04 2.09 1.96 3hozE1 GLU 163 HB3 -0.05 0.15 0.05 -0.04 1.99 2.10 3hozE1 GLU 163 HG2 -0.06 -0.01 -0.06 -0.04 2.34 2.17 3hozE1 GLU 163 HG3 -0.10 0.00 -0.27 -0.04 2.34 1.94 3hozE1 LEU 164 H -0.07 0.44 0.00 -0.55 8.37 8.19 3hozE1 LEU 164 HA -0.33 -0.01 0.34 -0.75 4.35 3.59 3hozE1 LEU 164 HB2 -0.12 0.05 0.15 -0.04 1.64 1.68 3hozE1 LEU 164 HB3 -0.09 0.08 0.24 -0.04 1.64 1.83 3hozE1 LEU 164 HG -0.29 -0.01 -0.37 -0.04 1.64 0.93 3hozE1 LEU 164 HD13 -1.17 -0.01 -0.05 -0.04 0.93 -0.34 3hozE1 LEU 164 HD23 -0.04 -0.01 -0.08 -0.04 0.89 0.72 3hozE1 LEU 165 H -0.07 0.57 -0.15 -0.55 8.37 8.17 3hozE1 LEU 165 HA -0.02 -0.02 0.33 -0.75 4.35 3.87 3hozE1 LEU 165 HB2 -0.02 0.05 0.02 -0.04 1.64 1.65 3hozE1 LEU 165 HB3 -0.00 0.12 -0.05 -0.04 1.64 1.66 3hozE1 LEU 165 HG -0.02 0.07 -0.06 -0.04 1.64 1.60 3hozE1 LEU 165 HD13 0.01 -0.03 -0.11 -0.04 0.93 0.76 3hozE1 LEU 165 HD23 0.01 0.00 -0.21 -0.04 0.89 0.65 3hozE1 LYS 166 H -0.05 0.38 -0.31 -0.55 8.42 7.89 3hozE1 LYS 166 HA -0.01 -0.02 0.43 -0.75 4.32 3.97 3hozE1 LYS 166 HB2 -0.02 0.07 0.20 -0.04 1.87 2.07 3hozE1 LYS 166 HB3 -0.04 0.07 0.27 -0.04 1.79 2.04 3hozE1 LYS 166 HG2 -0.02 0.00 -0.30 -0.04 1.46 1.10 3hozE1 LYS 166 HG3 -0.01 -0.05 0.03 -0.04 1.46 1.39 3hozE1 LYS 166 HD2 -0.02 -0.01 0.01 -0.04 1.69 1.63 3hozE1 LYS 166 HD3 -0.03 -0.00 -0.01 -0.04 1.68 1.60 3hozE1 LYS 166 HE2 -0.01 0.00 -0.05 -0.04 2.99 2.89 3hozE1 LYS 166 HE3 -0.01 -0.02 -0.02 -0.04 2.99 2.90 3hozE1 ARG 167 H -0.11 0.78 0.05 -0.55 8.46 8.63 3hozE1 ARG 167 HA -0.02 -0.01 0.40 -0.75 4.34 3.95 3hozE1 ARG 167 HB2 -0.32 0.10 0.04 -0.04 1.90 1.67 3hozE1 ARG 167 HB3 -0.15 -0.06 0.11 -0.04 1.80 1.66 3hozE1 ARG 167 HG2 -0.10 0.12 0.04 -0.04 1.67 1.69 3hozE1 ARG 167 HG3 -0.11 -0.06 -0.01 -0.04 1.67 1.45 3hozE1 ARG 167 HD2 -0.04 -0.03 0.03 -0.04 3.22 3.14 3hozE1 ARG 167 HD3 -0.04 0.02 -0.05 -0.04 3.22 3.12 3hozE1 TYR 168 H 0.04 0.27 -0.72 -0.55 8.29 7.32 3hozE1 TYR 168 HA -0.04 0.15 0.92 -0.75 4.56 4.84 3hozE1 TYR 168 HB2 -0.09 0.11 0.04 -0.04 3.06 3.08 3hozE1 TYR 168 HB3 -0.06 -0.08 0.06 -0.04 2.98 2.86 3hozE1 TYR 168 HD2 -0.12 0.16 -0.03 -0.04 7.15 7.11 3hozE1 TYR 168 HE2 -0.13 -0.03 -0.02 -0.04 6.85 6.63 3hozE1 ARG 169 H 0.06 0.43 0.15 -0.55 8.46 8.54 3hozE1 ARG 169 HA 0.02 0.01 0.35 -0.75 4.34 3.97 3hozE1 ARG 169 HB2 0.02 0.16 0.26 -0.04 1.90 2.30 3hozE1 ARG 169 HB3 0.02 -0.11 0.18 -0.04 1.80 1.85 3hozE1 ARG 169 HG2 0.03 0.03 -0.07 -0.04 1.67 1.62 3hozE1 ARG 169 HG3 0.05 -0.02 -0.71 -0.04 1.67 0.95 3hozE1 ARG 169 HD2 0.02 -0.00 -0.09 -0.04 3.22 3.11 3hozE1 ARG 169 HD3 0.01 -0.04 -0.01 -0.04 3.22 3.13 3hozE1 LEU 170 H 0.06 0.21 -0.20 -0.55 8.37 7.89 3hozE1 LEU 170 HA 0.02 0.02 0.46 -0.75 4.35 4.10 3hozE1 LEU 170 HB2 0.03 -0.06 0.01 -0.04 1.64 1.58 3hozE1 LEU 170 HB3 0.03 0.06 -0.07 -0.04 1.64 1.62 3hozE1 LEU 170 HG 0.15 -0.03 -0.13 -0.04 1.64 1.58 3hozE1 LEU 170 HD13 0.10 -0.01 -0.12 -0.04 0.93 0.87 3hozE1 LEU 170 HD23 -0.01 0.01 -0.10 -0.04 0.89 0.75 3hozE1 LYS 171 H 0.01 0.07 0.16 -0.55 8.42 8.11 3hozE1 LYS 171 HA 0.01 0.15 0.53 -0.75 4.32 4.26 3hozE1 LYS 171 HB2 0.01 -0.15 -0.03 -0.04 1.87 1.66 3hozE1 LYS 171 HB3 0.01 0.02 0.13 -0.04 1.79 1.90 3hozE1 LYS 171 HG2 0.01 0.01 0.10 -0.04 1.46 1.53 3hozE1 LYS 171 HG3 0.01 0.00 0.02 -0.04 1.46 1.44 3hozE1 LYS 171 HD2 0.01 -0.03 0.00 -0.04 1.69 1.63 3hozE1 LYS 171 HD3 0.01 0.10 -0.11 -0.04 1.68 1.64 3hozE1 LYS 171 HE2 0.00 0.08 0.05 -0.04 2.99 3.08 3hozE1 LYS 171 HE3 0.00 -0.05 0.01 -0.04 2.99 2.91 3hozE1 GLU 172 H 0.01 0.15 0.12 -0.55 8.60 8.34 3hozE1 GLU 172 HA 0.02 0.16 0.38 -0.75 4.29 4.09 3hozE1 GLU 172 HB2 0.02 0.03 0.13 -0.04 2.09 2.22 3hozE1 GLU 172 HB3 0.02 -0.03 0.10 -0.04 1.99 2.03 3hozE1 GLU 172 HG2 0.02 0.01 -0.07 -0.04 2.34 2.25 3hozE1 GLU 172 HG3 0.02 0.03 0.06 -0.04 2.34 2.41 3hozE1 SER 173 H 0.01 0.04 -0.15 -0.55 8.46 7.82 3hozE1 SER 173 HA 0.02 0.17 0.39 -0.75 4.49 4.32 3hozE1 SER 173 HB2 0.01 0.04 0.11 -0.04 3.95 4.07 3hozE1 SER 173 HB3 0.01 -0.02 0.07 -0.04 3.93 3.95 3hozE1 GLN 174 H 0.02 0.30 -0.71 -0.55 8.47 7.53 3hozE1 GLN 174 HA 0.01 0.16 0.74 -0.75 4.36 4.52 3hozE1 GLN 174 HB2 0.01 0.08 0.03 -0.04 2.15 2.23 3hozE1 GLN 174 HB3 0.01 0.03 0.10 -0.04 2.02 2.12 3hozE1 GLN 174 HG2 0.01 0.06 -0.12 -0.04 2.40 2.31 3hozE1 GLN 174 HG3 0.01 -0.16 -0.11 -0.04 2.39 2.09 3hozE1 GLN 174 HE21 0.00 0.04 0.01 -0.04 6.97 6.98 3hozE1 GLN 174 HE22 0.00 -0.01 -0.02 -0.04 7.69 7.63 3hozE1 LEU 175 H 0.03 0.25 -0.21 -0.55 8.37 7.90 3hozE1 LEU 175 HA 0.05 0.14 0.58 -0.75 4.35 4.37 3hozE1 LEU 175 HB2 0.04 0.24 0.13 -0.04 1.64 2.01 3hozE1 LEU 175 HB3 0.06 -0.03 -0.16 -0.04 1.64 1.47 3hozE1 LEU 175 HG 0.03 -0.01 -0.10 -0.04 1.64 1.52 3hozE1 LEU 175 HD13 0.04 -0.02 -0.08 -0.04 0.93 0.83 3hozE1 LEU 175 HD23 0.06 0.00 -0.07 -0.04 0.89 0.84 3hozE1 PRO 176 HA 0.04 -0.02 0.43 -0.51 4.44 4.38 3hozE1 PRO 176 HB2 0.08 0.27 0.29 -0.04 2.28 2.87 3hozE1 PRO 176 HB3 0.06 -0.04 0.12 -0.04 2.02 2.12 3hozE1 PRO 176 HG2 0.10 -0.02 0.17 -0.04 2.03 2.24 3hozE1 PRO 176 HG3 0.06 0.03 0.12 -0.04 2.03 2.21 3hozE1 PRO 176 HD2 0.11 0.11 0.21 -0.04 3.68 4.06 3hozE1 PRO 176 HD3 0.06 0.20 0.31 -0.04 3.65 4.18 3hozE1 ARG 177 H 0.04 0.08 0.19 -0.55 8.46 8.21 3hozE1 ARG 177 HA 0.05 0.16 0.75 -0.75 4.34 4.54 3hozE1 ARG 177 HB2 0.03 -0.07 0.01 -0.04 1.90 1.83 3hozE1 ARG 177 HB3 0.03 -0.03 -0.10 -0.04 1.80 1.65 3hozE1 ARG 177 HG2 0.03 0.02 -0.17 -0.04 1.67 1.51 3hozE1 ARG 177 HG3 0.03 0.19 0.02 -0.04 1.67 1.87 3hozE1 ARG 177 HD2 0.02 -0.08 -0.07 -0.04 3.22 3.05 3hozE1 ARG 177 HD3 0.02 -0.01 -0.10 -0.04 3.22 3.08 3hozE1 ILE 178 H 0.04 0.92 0.31 -0.55 8.25 8.96 3hozE1 ILE 178 HA 0.04 0.12 0.86 -0.75 4.18 4.45 3hozE1 ILE 178 HB 0.06 0.03 -0.16 -0.04 1.89 1.78 3hozE1 ILE 178 HG12 0.03 0.03 -0.09 -0.04 1.49 1.42 3hozE1 ILE 178 HG13 0.05 -0.01 0.04 -0.04 1.21 1.25 3hozE1 ILE 178 HG23 0.05 0.09 -0.37 -0.04 0.93 0.66 3hozE1 ILE 178 HD13 0.08 -0.02 -0.14 -0.04 0.88 0.76 3hozE1 GLN 179 H 0.02 0.15 0.11 -0.55 8.47 8.20 3hozE1 GLN 179 HA 0.01 0.07 0.47 -0.75 4.36 4.15 3hozE1 GLN 179 HB2 0.00 0.03 0.15 -0.04 2.15 2.29 3hozE1 GLN 179 HB3 -0.00 -0.14 -0.00 -0.04 2.02 1.83 3hozE1 GLN 179 HG2 0.01 0.07 0.02 -0.04 2.40 2.45 3hozE1 GLN 179 HG3 -0.00 0.07 0.01 -0.04 2.39 2.42 3hozE1 GLN 179 HE21 -0.00 0.04 0.00 -0.04 6.97 6.97 3hozE1 GLN 179 HE22 -0.00 0.04 -0.01 -0.04 7.69 7.67 3hozE1 ARG 180 H 0.01 0.15 0.20 -0.55 8.46 8.27 3hozE1 ARG 180 HA 0.01 0.14 0.32 -0.75 4.34 4.05 3hozE1 ARG 180 HB2 0.01 -0.16 0.09 -0.04 1.90 1.80 3hozE1 ARG 180 HB3 0.00 0.00 0.06 -0.04 1.80 1.83 3hozE1 ARG 180 HG2 0.00 0.08 -0.12 -0.04 1.67 1.59 3hozE1 ARG 180 HG3 0.01 0.02 -0.01 -0.04 1.67 1.65 3hozE1 ARG 180 HD2 0.01 -0.02 -0.03 -0.04 3.22 3.13 3hozE1 ARG 180 HD3 0.01 0.08 -0.01 -0.04 3.22 3.25 3hozE1 ALA 181 H -0.01 -0.07 -0.24 -0.55 8.40 7.54 3hozE1 ALA 181 HA -0.04 0.24 0.55 -0.75 4.34 4.34 3hozE1 ALA 181 HB3 -0.03 -0.00 0.00 -0.04 1.41 1.34 3hozE1 ASP 182 H -0.01 0.07 -0.60 -0.55 8.40 7.31 3hozE1 ASP 182 HA -0.03 0.05 0.29 -0.75 4.63 4.19 3hozE1 ASP 182 HB2 -0.00 0.04 0.13 -0.04 2.71 2.84 3hozE1 ASP 182 HB3 -0.02 -0.12 -0.07 -0.04 2.70 2.46 3hozE1 PRO 183 HA -0.06 0.15 0.42 -0.51 4.44 4.43 3hozE1 PRO 183 HB2 -0.07 -0.14 0.17 -0.04 2.28 2.20 3hozE1 PRO 183 HB3 -0.06 0.07 0.10 -0.04 2.02 2.09 3hozE1 PRO 183 HG2 -0.05 0.05 0.09 -0.04 2.03 2.08 3hozE1 PRO 183 HG3 -0.05 0.10 0.11 -0.04 2.03 2.14 3hozE1 PRO 183 HD2 -0.04 0.06 0.17 -0.04 3.68 3.82 3hozE1 PRO 183 HD3 -0.04 0.13 0.18 -0.04 3.65 3.88 3hozE1 VAL 184 H -0.11 0.15 -0.05 -0.55 8.24 7.69 3hozE1 VAL 184 HA -0.12 0.05 0.32 -0.75 4.13 3.63 3hozE1 VAL 184 HB -0.35 -0.04 -0.05 -0.04 2.12 1.64 3hozE1 VAL 184 HG13 -0.86 0.03 -0.16 -0.04 0.97 -0.05 3hozE1 VAL 184 HG23 -0.24 0.01 -0.00 -0.04 0.95 0.68 3hozE1 ALA 185 H -0.06 -0.01 -0.65 -0.55 8.40 7.13 3hozE1 ALA 185 HA -0.00 -0.00 0.15 -0.75 4.34 3.73 3hozE1 ALA 185 HB3 -0.00 0.03 -0.12 -0.04 1.41 1.27 3hozE1 LEU 186 H 0.01 0.60 -0.36 -0.55 8.37 8.08 3hozE1 LEU 186 HA 0.06 0.07 0.67 -0.75 4.35 4.40 3hozE1 LEU 186 HB2 -0.06 0.08 0.12 -0.04 1.64 1.73 3hozE1 LEU 186 HB3 -0.09 -0.05 0.02 -0.04 1.64 1.48 3hozE1 LEU 186 HG -0.04 0.18 -0.19 -0.04 1.64 1.56 3hozE1 LEU 186 HD13 -0.14 -0.06 -0.01 -0.04 0.93 0.68 3hozE1 LEU 186 HD23 -0.00 0.05 -0.03 -0.04 0.89 0.86 3hozE1 TYR 187 H 0.18 0.37 0.02 -0.55 8.29 8.31 3hozE1 TYR 187 HA 0.16 0.01 0.33 -0.75 4.56 4.30 3hozE1 TYR 187 HB2 0.01 -0.10 0.09 -0.04 3.06 3.03 3hozE1 TYR 187 HB3 -0.02 0.17 0.11 -0.04 2.98 3.20 3hozE1 TYR 187 HD2 0.03 0.03 -0.10 -0.04 7.15 7.06 3hozE1 TYR 187 HE2 0.02 0.02 -0.04 -0.04 6.85 6.81 3hozE1 LEU 188 H 0.13 0.29 -0.62 -0.55 8.37 7.62 3hozE1 LEU 188 HA -0.02 0.19 0.65 -0.75 4.35 4.42 3hozE1 LEU 188 HB2 0.05 -0.02 -0.17 -0.04 1.64 1.46 3hozE1 LEU 188 HB3 0.02 -0.00 0.01 -0.04 1.64 1.63 3hozE1 LEU 188 HG 0.15 0.03 -0.16 -0.04 1.64 1.62 3hozE1 LEU 188 HD13 0.09 -0.04 -0.22 -0.04 0.93 0.72 3hozE1 LEU 188 HD23 0.18 0.03 -0.22 -0.04 0.89 0.84 3hozE1 GLY 189 H 0.08 0.85 -0.46 -0.55 8.43 8.35 3hozE1 GLY 189 HA2 0.07 -0.02 0.37 -0.51 4.01 3.92 3hozE1 GLY 189 HA3 0.03 -0.05 0.28 -0.51 4.01 3.76 3hozE1 LEU 190 H 0.03 0.71 0.06 -0.55 8.37 8.63 3hozE1 LEU 190 HA 0.01 0.07 0.40 -0.75 4.35 4.08 3hozE1 LEU 190 HB2 0.02 0.04 -0.03 -0.04 1.64 1.64 3hozE1 LEU 190 HB3 0.02 -0.13 -0.14 -0.04 1.64 1.35 3hozE1 LEU 190 HG 0.03 0.10 -0.10 -0.04 1.64 1.62 3hozE1 LEU 190 HD13 0.04 -0.04 -0.19 -0.04 0.93 0.70 3hozE1 LEU 190 HD23 0.03 0.01 -0.18 -0.04 0.89 0.71 3hozE1 LYS 191 H 0.01 0.14 0.11 -0.55 8.42 8.13 3hozE1 LYS 191 HA 0.02 0.12 0.81 -0.75 4.32 4.51 3hozE1 LYS 191 HB2 0.01 -0.05 0.01 -0.04 1.87 1.80 3hozE1 LYS 191 HB3 0.02 0.03 0.01 -0.04 1.79 1.81 3hozE1 LYS 191 HG2 0.01 0.15 -0.44 -0.04 1.46 1.15 3hozE1 LYS 191 HG3 -0.00 -0.03 -0.29 -0.04 1.46 1.09 3hozE1 LYS 191 HD2 -0.02 0.05 -0.04 -0.04 1.69 1.64 3hozE1 LYS 191 HD3 0.00 -0.07 -0.05 -0.04 1.68 1.52 3hozE1 LYS 191 HE2 0.02 -0.04 -0.06 -0.04 2.99 2.87 3hozE1 LYS 191 HE3 0.01 0.07 -0.09 -0.04 2.99 2.95 3hozE1 ARG 192 H 0.02 0.16 0.06 -0.55 8.46 8.15 3hozE1 ARG 192 HA 0.02 -0.10 0.21 -0.75 4.34 3.71 3hozE1 ARG 192 HB2 0.02 -0.00 0.08 -0.04 1.90 1.95 3hozE1 ARG 192 HB3 0.02 -0.01 0.15 -0.04 1.80 1.91 3hozE1 ARG 192 HG2 0.02 -0.03 -0.17 -0.04 1.67 1.44 3hozE1 ARG 192 HG3 0.02 0.11 -0.06 -0.04 1.67 1.70 3hozE1 ARG 192 HD2 0.01 0.13 0.01 -0.04 3.22 3.34 3hozE1 ARG 192 HD3 0.01 -0.06 0.01 -0.04 3.22 3.14 3hozE1 GLY 193 H 0.03 0.09 0.27 -0.55 8.43 8.28 3hozE1 GLY 193 HA2 0.03 -0.02 0.44 -0.51 4.01 3.94 3hozE1 GLY 193 HA3 0.02 0.18 0.94 -0.51 4.01 4.65 3hozE1 GLU 194 H 0.03 0.69 0.07 -0.55 8.60 8.85 3hozE1 GLU 194 HA 0.04 0.06 0.45 -0.75 4.29 4.09 3hozE1 GLU 194 HB2 0.03 -0.09 0.11 -0.04 2.09 2.10 3hozE1 GLU 194 HB3 0.04 -0.04 0.08 -0.04 1.99 2.03 3hozE1 GLU 194 HG2 0.03 -0.01 0.05 -0.04 2.34 2.37 3hozE1 GLU 194 HG3 0.02 0.10 0.08 -0.04 2.34 2.49 3hozE1 VAL 195 H 0.06 0.19 0.18 -0.55 8.24 8.12 3hozE1 VAL 195 HA 0.07 0.22 1.03 -0.75 4.13 4.70 3hozE1 VAL 195 HB 0.09 -0.06 0.05 -0.04 2.12 2.16 3hozE1 VAL 195 HG13 0.15 0.06 -0.23 -0.04 0.97 0.92 3hozE1 VAL 195 HG23 0.06 -0.01 -0.20 -0.04 0.95 0.76 3hozE1 VAL 196 H 0.06 0.55 0.23 -0.55 8.24 8.53 3hozE1 VAL 196 HA 0.04 0.38 0.66 -0.75 4.13 4.45 3hozE1 VAL 196 HB 0.07 -0.25 0.01 -0.04 2.12 1.91 3hozE1 VAL 196 HG13 0.10 -0.00 -0.23 -0.04 0.97 0.79 3hozE1 VAL 196 HG23 0.10 0.03 -0.08 -0.04 0.95 0.96 3hozE1 LYS 197 H -0.07 0.05 0.17 -0.55 8.42 8.01 3hozE1 LYS 197 HA -0.50 0.23 0.95 -0.75 4.32 4.24 3hozE1 LYS 197 HB2 -0.26 0.02 -0.07 -0.04 1.87 1.52 3hozE1 LYS 197 HB3 -0.16 -0.00 0.16 -0.04 1.79 1.75 3hozE1 LYS 197 HG2 -0.33 -0.01 -0.26 -0.04 1.46 0.82 3hozE1 LYS 197 HG3 -0.88 0.04 -0.09 -0.04 1.46 0.49 3hozE1 LYS 197 HD2 -0.11 -0.01 -0.06 -0.04 1.69 1.47 3hozE1 LYS 197 HD3 -0.12 -0.02 -0.04 -0.04 1.68 1.46 3hozE1 LYS 197 HE2 -0.13 -0.02 -0.10 -0.04 2.99 2.71 3hozE1 LYS 197 HE3 -0.15 0.01 -0.11 -0.04 2.99 2.70 3hozE1 ILE 198 H -0.28 0.20 0.01 -0.55 8.25 7.62 3hozE1 ILE 198 HA -0.36 0.31 0.63 -0.75 4.18 4.00 3hozE1 ILE 198 HB -0.21 -0.06 -0.00 -0.04 1.89 1.57 3hozE1 ILE 198 HG12 -0.61 -0.02 -0.14 -0.04 1.49 0.67 3hozE1 ILE 198 HG13 -0.21 -0.05 -0.13 -0.04 1.21 0.79 3hozE1 ILE 198 HG23 -0.38 -0.00 -0.23 -0.04 0.93 0.28 3hozE1 ILE 198 HD13 -0.05 -0.00 -0.19 -0.04 0.88 0.59 3hozE1 ILE 199 H -0.18 0.52 0.30 -0.55 8.25 8.34 3hozE1 ILE 199 HA -0.15 0.28 1.10 -0.75 4.18 4.65 3hozE1 ILE 199 HB -0.10 0.03 0.18 -0.04 1.89 1.96 3hozE1 ILE 199 HG12 -0.15 -0.02 -0.08 -0.04 1.49 1.20 3hozE1 ILE 199 HG13 -0.19 0.08 -0.45 -0.04 1.21 0.62 3hozE1 ILE 199 HG23 -0.06 -0.03 -0.14 -0.04 0.93 0.67 3hozE1 ILE 199 HD13 -0.09 -0.02 -0.07 -0.04 0.88 0.67 3hozE1 ARG 200 H -0.03 0.45 0.26 -0.55 8.46 8.59 3hozE1 ARG 200 HA -0.02 0.18 1.11 -0.75 4.34 4.86 3hozE1 ARG 200 HB2 0.02 0.09 0.11 -0.04 1.90 2.08 3hozE1 ARG 200 HB3 -0.01 -0.01 -0.00 -0.04 1.80 1.73 3hozE1 ARG 200 HG2 0.03 -0.00 -0.05 -0.04 1.67 1.60 3hozE1 ARG 200 HG3 0.11 -0.00 -0.06 -0.04 1.67 1.69 3hozE1 ARG 200 HD2 0.05 0.01 -0.03 -0.04 3.22 3.21 3hozE1 ARG 200 HD3 0.02 0.01 -0.06 -0.04 3.22 3.15 3hozE1 LYS 201 H 0.00 0.10 0.19 -0.55 8.42 8.16 3hozE1 LYS 201 HA 0.02 0.25 0.66 -0.75 4.32 4.49 3hozE1 LYS 201 HB2 0.00 -0.04 0.08 -0.04 1.87 1.87 3hozE1 LYS 201 HB3 0.00 0.01 0.12 -0.04 1.79 1.88 3hozE1 LYS 201 HG2 -0.01 -0.03 0.10 -0.04 1.46 1.49 3hozE1 LYS 201 HG3 -0.01 -0.00 0.06 -0.04 1.46 1.47 3hozE1 LYS 201 HD2 -0.00 -0.03 0.04 -0.04 1.69 1.66 3hozE1 LYS 201 HD3 0.00 0.14 0.10 -0.04 1.68 1.88 3hozE1 LYS 201 HE2 -0.01 -0.01 -0.01 -0.04 2.99 2.92 3hozE1 LYS 201 HE3 -0.01 0.00 -0.04 -0.04 2.99 2.90 3hozE1 SER 202 H 0.02 0.59 0.01 -0.55 8.46 8.53 3hozE1 SER 202 HA 0.01 0.18 0.72 -0.75 4.49 4.65 3hozE1 SER 202 HB2 0.08 0.21 -0.44 -0.04 3.95 3.76 3hozE1 SER 202 HB3 0.04 -0.14 -0.25 -0.04 3.93 3.53 3hozE1 GLU 203 H -0.01 0.25 0.07 -0.55 8.60 8.37 3hozE1 GLU 203 HA -0.00 0.12 0.34 -0.75 4.29 3.99 3hozE1 GLU 203 HB2 -0.01 0.05 0.13 -0.04 2.09 2.22 3hozE1 GLU 203 HB3 -0.01 0.02 0.08 -0.04 1.99 2.05 3hozE1 GLU 203 HG2 -0.01 -0.00 0.03 -0.04 2.34 2.32 3hozE1 GLU 203 HG3 -0.02 0.00 -0.18 -0.04 2.34 2.10 3hozE1 THR 204 H -0.02 -0.15 -0.74 -0.55 8.28 6.82 3hozE1 THR 204 HA -0.02 0.25 0.90 -0.75 4.39 4.77 3hozE1 THR 204 HB -0.04 -0.01 -0.04 -0.04 4.32 4.18 3hozE1 THR 204 HG23 -0.07 -0.00 -0.06 -0.04 1.22 1.05 3hozE1 SER 205 H -0.00 -0.09 -0.09 -0.55 8.46 7.74 3hozE1 SER 205 HA 0.01 0.29 0.99 -0.75 4.49 5.02 3hozE1 SER 205 HB2 0.03 0.04 0.17 -0.04 3.95 4.15 3hozE1 SER 205 HB3 0.01 -0.01 -0.13 -0.04 3.93 3.75 3hozE1 GLY 206 H 0.01 0.75 0.12 -0.55 8.43 8.76 3hozE1 GLY 206 HA2 0.01 0.00 0.44 -0.51 4.01 3.95 3hozE1 GLY 206 HA3 0.01 0.19 0.74 -0.51 4.01 4.44 3hozE1 ARG 207 H 0.04 0.51 -0.22 -0.55 8.46 8.24 3hozE1 ARG 207 HA 0.04 0.21 0.83 -0.75 4.34 4.67 3hozE1 ARG 207 HB2 0.02 -0.00 -0.00 -0.04 1.90 1.88 3hozE1 ARG 207 HB3 0.01 0.05 -0.05 -0.04 1.80 1.77 3hozE1 ARG 207 HG2 0.01 0.13 -0.39 -0.04 1.67 1.38 3hozE1 ARG 207 HG3 0.01 -0.03 -0.19 -0.04 1.67 1.42 3hozE1 ARG 207 HD2 -0.01 0.03 -0.08 -0.04 3.22 3.12 3hozE1 ARG 207 HD3 -0.00 -0.02 -0.07 -0.04 3.22 3.08 3hozE1 TYR 208 H 0.10 0.74 0.21 -0.55 8.29 8.79 3hozE1 TYR 208 HA 0.01 0.15 0.86 -0.75 4.56 4.83 3hozE1 TYR 208 HB2 0.00 -0.09 -0.17 -0.04 3.06 2.77 3hozE1 TYR 208 HB3 -0.01 0.03 -0.04 -0.04 2.98 2.92 3hozE1 TYR 208 HD2 0.01 -0.01 -0.05 -0.04 7.15 7.05 3hozE1 TYR 208 HE2 0.03 -0.01 -0.05 -0.04 6.85 6.77 3hozE1 ALA 209 H -0.47 0.18 0.13 -0.55 8.40 7.70 3hozE1 ALA 209 HA -0.32 0.31 1.20 -0.75 4.34 4.78 3hozE1 ALA 209 HB3 -0.14 0.00 -0.00 -0.04 1.41 1.23 3hozE1 SER 210 H -0.35 0.85 0.33 -0.55 8.46 8.74 3hozE1 SER 210 HA -0.05 0.17 0.94 -0.75 4.49 4.79 3hozE1 SER 210 HB2 -0.09 -0.05 -0.12 -0.04 3.95 3.65 3hozE1 SER 210 HB3 -0.09 -0.03 -0.03 -0.04 3.93 3.74 3hozE1 TYR 211 H 0.26 0.20 0.20 -0.55 8.29 8.40 3hozE1 TYR 211 HA -0.02 0.22 1.05 -0.75 4.56 5.05 3hozE1 TYR 211 HB2 0.03 -0.03 0.06 -0.04 3.06 3.08 3hozE1 TYR 211 HB3 0.01 0.04 -0.02 -0.04 2.98 2.97 3hozE1 TYR 211 HD2 -0.01 -0.04 -0.13 -0.04 7.15 6.93 3hozE1 TYR 211 HE2 -0.04 0.03 -0.16 -0.04 6.85 6.63 3hozE1 ARG 212 H 0.05 0.42 0.11 -0.55 8.46 8.49 3hozE1 ARG 212 HA 0.08 0.71 0.96 -0.75 4.34 5.32 3hozE1 ARG 212 HB2 0.05 -0.14 -0.04 -0.04 1.90 1.73 3hozE1 ARG 212 HB3 0.07 -0.04 -0.15 -0.04 1.80 1.64 3hozE1 ARG 212 HG2 0.05 0.15 -0.38 -0.04 1.67 1.45 3hozE1 ARG 212 HG3 0.04 -0.10 -0.23 -0.04 1.67 1.34 3hozE1 ARG 212 HD2 0.06 -0.18 -0.33 -0.04 3.22 2.73 3hozE1 ARG 212 HD3 0.05 0.05 -0.74 -0.04 3.22 2.54 3hozE1 ILE 213 H 0.07 0.47 0.06 -0.55 8.25 8.30 3hozE1 ILE 213 HA 0.06 0.20 0.82 -0.75 4.18 4.52 3hozE1 ILE 213 HB 0.06 -0.00 -0.02 -0.04 1.89 1.89 3hozE1 ILE 213 HG12 0.04 -0.28 0.14 -0.04 1.49 1.35 3hozE1 ILE 213 HG13 0.05 0.15 -0.00 -0.04 1.21 1.37 3hozE1 ILE 213 HG23 0.04 0.01 -0.33 -0.04 0.93 0.61 3hozE1 ILE 213 HD13 0.03 -0.01 0.01 -0.04 0.88 0.87 3hozE1 CYS 214 H 0.04 0.37 0.15 -0.55 8.50 8.51 3hozE1 CYS 214 HA 0.03 0.27 0.85 -0.75 4.58 4.98 3hozE1 CYS 214 HB2 0.03 0.12 -0.13 -0.04 2.97 2.96 3hozE1 CYS 214 HB3 0.03 -0.28 -0.00 -0.04 2.97 2.67 3hozE1 MET 215 H 0.02 0.51 0.14 -0.55 8.47 8.60 3hozE1 MET 215 HA 0.02 0.22 0.53 -0.75 4.52 4.54 3hozE1 MET 215 HB2 0.01 -0.04 0.10 -0.04 2.15 2.18 3hozE1 MET 215 HB3 0.01 -0.02 0.08 -0.04 2.03 2.06 3hozE1 MET 215 HG2 0.02 0.03 -0.18 -0.04 2.63 2.46 3hozE1 MET 215 HG3 0.01 -0.02 -0.07 -0.04 2.56 2.44 3hozE1 MET 215 HE3 0.01 -0.00 -0.02 -0.04 2.10 2.04