#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i81 n VAL 956 N 0.00 -1.36 -4.19 2.53 3.14 -1.26 -5.04 118.33 112.14 3i81 n VAL 956 Ca 0.00 0.20 -0.34 0.00 -2.96 0.00 0.00 64.34 61.25 3i81 n VAL 956 Cb 0.00 -1.11 -0.15 0.00 -1.06 0.00 0.00 33.84 31.52 3i81 n VAL 956 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 3i81 s TYR 957 N -1.17 2.82 -0.27 1.45 5.04 -1.26 -5.02 117.35 118.94 3i81 s TYR 957 Ca 0.00 -1.30 -0.16 0.00 -2.44 0.00 0.00 57.07 53.17 3i81 s TYR 957 Cb 0.00 -1.96 -0.03 0.00 0.35 0.00 0.00 41.96 40.32 3i81 s TYR 957 CO 0.00 -0.65 0.43 0.54 -1.34 0.00 0.00 175.55 174.53 3i81 s VAL 958 N 1.20 5.13 0.28 3.14 0.11 -1.26 -5.06 120.40 123.94 3i81 s VAL 958 Ca 0.02 0.68 -0.29 0.00 -2.93 0.00 0.00 61.98 59.45 3i81 s VAL 958 Cb -0.14 -3.75 -0.10 0.00 -1.53 0.00 0.00 36.38 30.86 3i81 s VAL 958 CO -0.07 0.12 1.33 -2.84 -3.33 0.00 0.00 175.10 170.32 3i81 s PRO 959 N 2.16 4.35 0.00 1.54 0.02 -1.26 -5.03 135.00 136.78 3i81 s PRO 959 Ca 0.17 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.38 3i81 s PRO 959 Cb -0.16 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.25 3i81 s PRO 959 CO 0.10 -0.25 0.00 -0.40 -0.33 0.00 0.00 177.00 176.12 3i81 n ASP 960 N 1.59 1.58 0.18 2.53 5.68 -1.26 -5.03 116.55 121.82 3i81 n ASP 960 Ca 0.03 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.45 3i81 n ASP 960 Cb 0.42 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 40.99 3i81 n ASP 960 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3i81 h GLU 961 N 0.00 0.00 0.00 0.11 9.09 -2.02 -2.80 114.58 118.96 3i81 h GLU 961 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3i81 h GLU 961 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3i81 h GLU 961 CO 0.00 0.00 0.00 0.91 0.05 0.00 0.00 179.01 179.97 3i81 n TRP 962 N -2.44 0.50 -1.84 2.06 7.02 -1.26 -4.87 117.44 116.61 3i81 n TRP 962 Ca 0.01 0.15 -0.42 0.00 -1.02 0.00 0.00 57.50 56.22 3i81 n TRP 962 Cb 0.19 -0.75 -0.03 0.00 -2.42 0.00 0.00 31.31 28.30 3i81 n TRP 962 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 3i81 s GLU 963 N -3.07 4.17 -0.05 -0.99 2.56 -1.06 -1.56 118.70 118.70 3i81 s GLU 963 Ca 0.11 2.45 0.06 0.00 0.00 0.00 0.00 54.97 57.59 3i81 s GLU 963 Cb 0.14 -3.49 -0.01 0.00 2.00 0.00 0.00 34.13 32.78 3i81 s GLU 963 CO 0.53 -0.75 -0.23 0.08 -0.56 0.00 0.00 175.26 174.33 3i81 s VAL 964 N 2.32 1.85 0.43 3.70 1.01 -0.43 -4.87 120.40 124.42 3i81 s VAL 964 Ca 0.76 -0.96 -0.26 0.00 0.00 0.00 0.00 61.98 61.52 3i81 s VAL 964 Cb -0.43 -1.57 -0.09 0.00 0.00 0.00 0.00 36.38 34.29 3i81 s VAL 964 CO 0.33 0.52 1.43 0.00 0.00 0.00 0.00 175.10 177.39 3i81 s ALA 965 N -0.13 3.32 0.25 5.51 0.00 -1.26 -4.48 121.76 124.96 3i81 s ALA 965 Ca -0.03 1.47 -0.05 0.00 0.00 0.00 0.00 51.96 53.36 3i81 s ALA 965 Cb -0.13 -3.59 0.33 0.00 0.00 0.00 0.00 23.12 19.74 3i81 s ALA 965 CO 0.03 -1.13 1.87 -0.09 0.00 0.00 0.00 175.76 176.44 3i81 h ARG 966 N 2.51 1.05 -0.15 0.00 2.43 -1.95 -2.81 114.38 115.46 3i81 h ARG 966 Ca -0.51 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 58.64 3i81 h ARG 966 Cb 1.26 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 3i81 h ARG 966 CO 0.62 0.70 0.14 0.93 -1.51 0.00 0.00 179.97 180.84 3i81 h GLU 967 N 1.08 0.00 0.00 0.20 5.08 -2.02 -1.62 114.58 117.31 3i81 h GLU 967 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 3i81 h GLU 967 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3i81 h GLU 967 CO -0.15 0.00 0.00 0.87 -1.00 0.00 0.00 179.01 178.73 3i81 h LYS 968 N 0.00 0.00 -5.48 2.33 1.57 -1.83 -3.45 116.57 109.71 3i81 h LYS 968 Ca 0.07 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.22 3i81 h LYS 968 Cb 0.34 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.52 3i81 h LYS 968 CO -0.00 0.00 -0.55 0.42 -0.57 0.00 0.00 179.45 178.74 3i81 s ILE 969 N -3.24 4.86 -0.18 1.86 -1.09 -0.61 -1.25 121.20 121.55 3i81 s ILE 969 Ca 0.07 -0.02 -0.01 0.00 -2.23 0.00 0.00 60.65 58.47 3i81 s ILE 969 Cb 0.10 -3.15 0.05 0.00 -1.58 0.00 0.00 42.46 37.88 3i81 s ILE 969 CO 0.53 0.52 -0.03 -0.89 -1.23 0.00 0.00 174.94 173.84 3i81 s THR 970 N -0.14 1.05 -0.09 2.92 2.01 -0.69 -5.02 115.64 115.69 3i81 s THR 970 Ca 0.07 -0.71 -0.20 0.00 0.31 0.00 0.00 61.69 61.17 3i81 s THR 970 Cb -0.12 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 3i81 s THR 970 CO 0.01 0.02 0.54 -0.04 -0.69 0.00 0.00 174.62 174.47 3i81 s MET 971 N 1.64 4.36 0.00 4.92 -1.94 -1.26 -1.88 119.30 125.14 3i81 s MET 971 Ca -0.01 0.59 0.00 0.00 -1.71 0.00 0.00 55.69 54.56 3i81 s MET 971 Cb -0.16 -3.43 0.00 0.00 2.01 0.00 0.00 34.83 33.25 3i81 s MET 971 CO -0.07 0.16 0.00 0.45 -0.01 0.00 0.00 175.02 175.54 3i81 n SER 972 N 3.61 0.00 -4.81 3.03 2.88 0.18 -4.99 113.62 113.52 3i81 n SER 972 Ca -0.06 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.15 3i81 n SER 972 Cb 0.51 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 3i81 n SER 972 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3i81 s ARG 973 N 1.59 4.07 0.37 -1.46 0.52 -1.22 -4.81 118.95 118.02 3i81 s ARG 973 Ca 0.00 1.23 -0.26 0.00 -0.52 0.00 0.00 55.73 56.18 3i81 s ARG 973 Cb 0.00 -2.17 -0.09 0.00 0.52 0.00 0.00 34.95 33.21 3i81 s ARG 973 CO 0.00 -0.18 1.09 -1.21 0.02 0.00 0.00 175.30 175.02 3i81 s GLU 974 N -3.16 4.26 -0.18 3.54 2.02 -1.26 0.07 118.70 124.00 3i81 s GLU 974 Ca 0.64 1.66 -0.01 0.00 0.02 0.00 0.00 54.97 57.27 3i81 s GLU 974 Cb -0.12 -2.73 -0.11 0.00 0.10 0.00 0.00 34.13 31.26 3i81 s GLU 974 CO 0.16 -0.09 -0.17 1.28 0.02 0.00 0.00 175.26 176.46 3i81 n LEU 975 N 0.28 2.66 0.00 1.80 4.77 0.08 -4.77 117.00 121.82 3i81 n LEU 975 Ca 0.03 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i81 n LEU 975 Cb 0.48 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3i81 n LEU 975 CO 0.48 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.87 3i81 n GLY 976 N 2.49 2.53 3.71 -0.72 0.00 -1.13 -5.04 105.19 107.03 3i81 n GLY 976 Ca -0.32 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 3i81 n GLY 976 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i81 s GLN 977 N -2.02 4.39 0.14 1.61 2.00 -1.26 -1.27 119.66 123.25 3i81 s GLN 977 Ca 0.00 1.89 0.02 0.00 -2.00 0.00 0.00 55.36 55.28 3i81 s GLN 977 Cb 0.00 -3.30 0.02 0.00 0.80 0.00 0.00 33.01 30.53 3i81 s GLN 977 CO 0.00 -0.33 0.19 0.41 -0.50 0.00 0.00 175.29 175.07 3i81 n GLY 978 N 3.31 1.90 0.24 2.59 0.00 -0.02 -4.75 105.19 108.46 3i81 n GLY 978 Ca 0.10 -2.15 -0.15 0.00 0.00 0.00 0.00 46.02 43.82 3i81 n GLY 978 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3i81 h SER 979 N 0.02 0.97 0.00 1.61 0.02 -1.93 -3.34 113.55 110.89 3i81 h SER 979 Ca -0.06 -0.54 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 3i81 h SER 979 Cb 0.30 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3i81 h SER 979 CO 0.09 1.34 -1.20 0.49 -1.14 0.00 0.00 176.83 176.41 3i81 n PHE 980 N -3.99 0.00 -1.32 3.45 3.01 -1.26 -5.09 117.46 112.26 3i81 n PHE 980 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.41 3i81 n PHE 980 Cb 0.65 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 3i81 n PHE 980 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i81 n GLY 981 N 1.43 -1.83 3.76 1.37 0.00 -1.13 -2.24 105.19 106.57 3i81 n GLY 981 Ca 0.01 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 3i81 n GLY 981 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3i81 s MET 982 N -1.67 4.24 -0.18 1.61 -2.45 -1.26 -0.84 119.30 118.75 3i81 s MET 982 Ca 0.00 2.38 -0.04 0.00 -1.25 0.00 0.00 55.69 56.77 3i81 s MET 982 Cb 0.00 -3.05 -0.03 0.00 1.25 0.00 0.00 34.83 33.01 3i81 s MET 982 CO 0.00 -0.40 -0.02 0.08 1.05 0.00 0.00 175.02 175.74 3i81 s VAL 983 N -0.70 3.95 0.25 10.11 1.01 -0.39 -2.29 120.40 132.33 3i81 s VAL 983 Ca 0.54 -0.33 0.10 0.00 0.00 0.00 0.00 61.98 62.30 3i81 s VAL 983 Cb -0.43 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 3i81 s VAL 983 CO 0.53 0.46 -0.10 -0.31 0.00 0.00 0.00 175.10 175.68 3i81 s TYR 984 N 0.66 2.53 0.26 5.22 1.51 0.19 -0.74 117.35 126.98 3i81 s TYR 984 Ca -0.01 -0.27 0.06 0.00 -1.01 0.00 0.00 57.07 55.84 3i81 s TYR 984 Cb -0.14 -1.15 -0.03 0.00 -0.11 0.00 0.00 41.96 40.53 3i81 s TYR 984 CO 0.02 0.62 0.34 -1.83 -1.11 0.00 0.00 175.55 173.59 3i81 s GLU 985 N -3.36 3.25 0.00 -0.62 -1.05 0.11 0.12 118.70 117.16 3i81 s GLU 985 Ca 0.29 -0.89 0.00 0.00 -0.15 0.00 0.00 54.97 54.22 3i81 s GLU 985 Cb -0.07 -2.79 0.00 0.00 -0.44 0.00 0.00 34.13 30.83 3i81 s GLU 985 CO 0.17 0.35 0.00 0.41 0.95 0.00 0.00 175.26 177.13 3i81 n GLY 986 N -1.40 -0.67 3.19 -3.83 0.00 -0.08 -0.64 105.19 101.76 3i81 n GLY 986 Ca -0.07 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.24 3i81 n GLY 986 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i81 s VAL 987 N -3.59 1.31 0.01 1.61 -7.23 -0.79 -0.82 120.40 110.91 3i81 s VAL 987 Ca 0.00 -1.18 0.02 0.00 -1.81 0.00 0.00 61.98 59.01 3i81 s VAL 987 Cb 0.00 -1.19 -0.01 0.00 0.56 0.00 0.00 36.38 35.74 3i81 s VAL 987 CO 0.00 -0.01 -0.07 0.00 -0.31 0.00 0.00 175.10 174.71 3i81 s ALA 988 N -0.97 0.53 -0.17 1.32 0.00 -0.24 -1.70 121.76 120.54 3i81 s ALA 988 Ca 0.03 -0.44 -0.06 0.00 0.00 0.00 0.00 51.96 51.48 3i81 s ALA 988 Cb -0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 3i81 s ALA 988 CO 0.02 0.07 0.03 0.21 0.00 0.00 0.00 175.76 176.10 3i81 s LYS 989 N -0.67 3.83 -1.30 0.00 2.20 -0.38 -1.53 119.74 121.89 3i81 s LYS 989 Ca -0.02 -0.39 -0.01 0.00 -0.36 0.00 0.00 55.97 55.19 3i81 s LYS 989 Cb -0.05 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 3i81 s LYS 989 CO 0.00 0.30 0.10 0.41 -0.36 0.00 0.00 175.35 175.81 3i81 n GLY 990 N 3.41 -0.26 0.10 5.54 0.00 -0.70 -4.86 105.19 108.41 3i81 n GLY 990 Ca -0.17 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 3i81 n GLY 990 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i81 n VAL 991 N -4.06 1.47 -3.73 1.61 0.24 -1.26 -4.61 118.33 108.00 3i81 n VAL 991 Ca -0.16 -0.81 -0.35 0.00 -2.04 0.00 0.00 64.34 60.98 3i81 n VAL 991 Cb 0.63 -0.75 -0.09 0.00 -1.47 0.00 0.00 33.84 32.15 3i81 n VAL 991 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3i81 s VAL 992 N -2.52 3.74 0.00 3.34 1.01 -1.26 -4.90 120.40 119.81 3i81 s VAL 992 Ca -0.12 -3.34 0.00 0.00 0.00 0.00 0.00 61.98 58.53 3i81 s VAL 992 Cb 0.07 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 33.03 3i81 s VAL 992 CO 0.80 -0.94 0.00 0.29 0.00 0.00 0.00 175.10 175.25 3i81 n LYS 993 N 3.03 0.00 -0.57 2.72 4.76 -1.26 -2.02 118.16 124.81 3i81 n LYS 993 Ca 0.12 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.61 3i81 n LYS 993 Cb 0.37 0.00 0.25 0.00 -1.84 0.00 0.00 35.03 33.81 3i81 n LYS 993 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3i81 n ASP 994 N 8.27 3.68 -4.66 4.39 3.85 -1.26 -4.48 116.55 126.35 3i81 n ASP 994 Ca 0.00 -3.20 -0.42 0.00 -0.71 0.00 0.00 54.79 50.46 3i81 n ASP 994 Cb 0.00 -0.58 -0.03 0.00 -1.35 0.00 0.00 41.12 39.16 3i81 n ASP 994 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 3i81 s GLU 995 N -2.94 4.16 0.47 0.11 2.02 -0.86 -4.73 118.70 116.94 3i81 s GLU 995 Ca 0.44 2.33 0.25 0.00 0.02 0.00 0.00 54.97 58.00 3i81 s GLU 995 Cb 0.36 -4.05 1.16 0.00 0.10 0.00 0.00 34.13 31.71 3i81 s GLU 995 CO 0.07 -0.89 1.94 -1.00 0.02 0.00 0.00 175.26 175.40 3i81 h PRO 996 N 9.93 0.00 -2.76 0.39 0.13 -1.91 -1.87 132.00 135.91 3i81 h PRO 996 Ca -0.43 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.26 3i81 h PRO 996 Cb 1.20 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.94 3i81 h PRO 996 CO 0.95 0.19 -0.72 -2.00 -0.23 0.00 0.00 178.00 176.19 3i81 s GLU 997 N -3.95 0.16 -0.11 0.86 2.12 -1.25 -3.95 118.70 112.57 3i81 s GLU 997 Ca -0.01 -0.18 0.03 0.00 0.36 0.00 0.00 54.97 55.17 3i81 s GLU 997 Cb 0.12 -1.36 0.00 0.00 0.26 0.00 0.00 34.13 33.15 3i81 s GLU 997 CO 0.62 -0.82 -0.23 0.99 -0.54 0.00 0.00 175.26 175.28 3i81 s THR 998 N 2.19 2.04 -0.07 -1.70 2.01 -0.58 -4.92 115.64 114.60 3i81 s THR 998 Ca 0.06 -0.99 -0.30 0.00 0.31 0.00 0.00 61.69 60.77 3i81 s THR 998 Cb -0.16 -1.78 -0.05 0.00 0.01 0.00 0.00 72.50 70.53 3i81 s THR 998 CO -0.21 0.55 1.57 -0.13 -0.69 0.00 0.00 174.62 175.71 3i81 s ARG 999 N 0.53 4.20 0.26 4.92 0.52 -1.26 -1.07 118.95 127.03 3i81 s ARG 999 Ca -0.14 2.08 0.05 0.00 -0.52 0.00 0.00 55.73 57.19 3i81 s ARG 999 Cb -0.17 -3.92 -0.06 0.00 0.52 0.00 0.00 34.95 31.33 3i81 s ARG 999 CO 0.05 -0.80 -0.01 0.14 0.02 0.00 0.00 175.30 174.69 3i81 s VAL 1000N 3.83 1.25 -0.16 3.52 -7.23 -0.00 -4.16 120.40 117.45 3i81 s VAL 1000Ca 0.69 -2.06 -0.04 0.00 -1.81 0.00 0.00 61.98 58.77 3i81 s VAL 1000Cb -0.31 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.17 3i81 s VAL 1000CO 0.27 -0.28 -0.04 0.00 -0.31 0.00 0.00 175.10 174.74 3i81 s ALA 1001N -3.27 2.98 -0.25 1.32 0.00 -0.36 -0.90 121.76 121.28 3i81 s ALA 1001Ca 0.30 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 3i81 s ALA 1001Cb 0.05 -1.56 0.03 0.00 0.00 0.00 0.00 23.12 21.65 3i81 s ALA 1001CO 0.11 0.18 -0.07 0.42 0.00 0.00 0.00 175.76 176.39 3i81 s ILE 1002N 0.43 2.69 -0.05 0.00 1.01 0.33 -0.25 121.20 125.35 3i81 s ILE 1002Ca -0.04 -1.18 -0.21 0.00 0.00 0.00 0.00 60.65 59.22 3i81 s ILE 1002Cb -0.14 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 3i81 s ILE 1002CO 0.03 0.14 0.62 -0.54 0.00 0.00 0.00 174.94 175.20 3i81 s LYS 1003N 1.27 4.38 0.38 2.79 1.02 -0.53 -0.63 119.74 128.42 3i81 s LYS 1003Ca -0.02 0.75 0.08 0.00 0.02 0.00 0.00 55.97 56.81 3i81 s LYS 1003Cb -0.17 -3.40 -0.07 0.00 -0.52 0.00 0.00 37.83 33.66 3i81 s LYS 1003CO -0.05 0.21 -0.01 0.95 -0.92 0.00 0.00 175.35 175.53 3i81 s THR 1004N 0.35 2.15 -0.14 2.17 -4.23 -0.97 -2.15 115.64 112.82 3i81 s THR 1004Ca 0.33 -2.04 -0.00 0.00 -1.18 0.00 0.00 61.69 58.80 3i81 s THR 1004Cb -0.18 -2.87 -0.01 0.00 1.34 0.00 0.00 72.50 70.78 3i81 s THR 1004CO 0.17 -0.08 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.35 3i81 s VAL 1005N -2.66 3.02 0.47 2.29 1.01 -1.16 -2.83 120.40 120.54 3i81 s VAL 1005Ca 0.35 -0.67 -0.24 0.00 0.00 0.00 0.00 61.98 61.42 3i81 s VAL 1005Cb 0.06 -2.27 -0.08 0.00 0.00 0.00 0.00 36.38 34.09 3i81 s VAL 1005CO 0.18 0.52 1.19 -0.46 0.00 0.00 0.00 175.10 176.52 3i81 n ASN 1006N 3.65 2.04 -0.16 3.32 0.23 -0.95 -4.64 115.26 118.75 3i81 n ASN 1006Ca -0.18 1.03 0.13 0.00 -0.53 0.00 0.00 54.58 55.02 3i81 n ASN 1006Cb 0.52 -1.47 0.46 0.00 -2.08 0.00 0.00 39.78 37.22 3i81 n ASN 1006CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3i81 h GLU 1007N 1.62 0.49 -0.00 -3.83 -0.00 -1.99 -2.39 114.58 108.48 3i81 h GLU 1007Ca -0.48 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 58.85 3i81 h GLU 1007Cb 1.32 -0.11 0.00 0.00 -0.00 0.00 0.00 28.75 29.96 3i81 h GLU 1007CO 0.57 0.32 -0.02 0.00 -0.00 0.00 0.00 179.01 179.88 3i81 n ALA 1008N -2.50 2.60 -1.78 1.06 0.00 -1.26 -4.93 120.51 113.70 3i81 n ALA 1008Ca 0.13 -0.19 -0.35 0.00 0.00 0.00 0.00 53.44 53.03 3i81 n ALA 1008Cb 0.44 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 3i81 n ALA 1008CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i81 s ALA 1009N -2.38 2.82 0.73 0.00 0.00 -0.90 -5.06 121.76 116.96 3i81 s ALA 1009Ca 0.34 0.74 -0.11 0.00 0.00 0.00 0.00 51.96 52.93 3i81 s ALA 1009Cb 0.21 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 20.05 3i81 s ALA 1009CO 0.44 -0.54 1.10 -1.54 0.00 0.00 0.00 175.76 175.22 3i81 s SER 1010N -1.81 5.13 0.37 0.00 1.04 -1.26 -4.92 113.70 112.25 3i81 s SER 1010Ca 0.69 0.93 0.05 0.00 0.48 0.00 0.00 55.95 58.10 3i81 s SER 1010Cb -0.21 -1.65 0.72 0.00 0.10 0.00 0.00 66.02 64.99 3i81 s SER 1010CO 0.25 -1.50 1.98 -0.03 0.98 0.00 0.00 173.24 174.92 3i81 h MET 1011N -0.72 0.59 -0.68 4.02 4.05 -1.99 -2.20 114.93 118.00 3i81 h MET 1011Ca -0.45 -0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 58.86 3i81 h MET 1011Cb 1.28 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.93 3i81 h MET 1011CO 0.64 0.47 0.27 -0.09 0.23 0.00 0.00 176.91 178.43 3i81 h ARG 1012N 0.60 1.01 -0.46 0.39 1.12 -1.99 -1.64 114.38 113.41 3i81 h ARG 1012Ca 0.15 -0.18 -0.11 0.00 -1.11 0.00 0.00 59.98 58.73 3i81 h ARG 1012Cb 0.07 -0.17 -0.02 0.00 -0.01 0.00 0.00 29.97 29.85 3i81 h ARG 1012CO -0.02 0.84 -0.16 0.93 -3.11 0.00 0.00 179.97 178.45 3i81 h GLU 1013N 0.96 0.89 -0.37 0.20 5.08 -1.81 -1.03 114.58 118.51 3i81 h GLU 1013Ca 0.23 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 3i81 h GLU 1013Cb 0.20 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3i81 h GLU 1013CO -0.02 0.99 -0.04 0.00 -1.00 0.00 0.00 179.01 178.94 3i81 h ARG 1014N 0.79 0.68 -0.56 2.33 3.08 -1.23 -1.71 114.38 117.76 3i81 h ARG 1014Ca 0.12 -0.24 -0.07 0.00 0.07 0.00 0.00 59.98 59.85 3i81 h ARG 1014Cb 0.70 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3i81 h ARG 1014CO 0.05 0.81 0.06 0.82 -1.07 0.00 0.00 179.97 180.64 3i81 h ILE 1015N 0.49 1.26 -0.66 2.04 2.04 -1.25 -2.31 117.51 119.12 3i81 h ILE 1015Ca 0.10 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 3i81 h ILE 1015Cb 0.53 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 3i81 h ILE 1015CO 0.03 0.37 0.34 -0.08 0.00 0.00 0.00 178.15 178.81 3i81 h GLU 1016N 0.84 0.93 -0.44 2.37 4.81 -1.11 -1.72 114.58 120.26 3i81 h GLU 1016Ca 0.17 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3i81 h GLU 1016Cb 0.46 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 3i81 h GLU 1016CO 0.02 0.72 0.22 0.35 -0.73 0.00 0.00 179.01 179.59 3i81 h PHE 1017N 0.90 0.62 -0.36 0.92 3.57 -1.16 -1.55 116.94 119.88 3i81 h PHE 1017Ca 0.23 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.61 3i81 h PHE 1017Cb 0.08 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 3i81 h PHE 1017CO -0.00 0.50 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.37 3i81 h LEU 1018N 0.57 0.74 -0.46 0.59 3.38 -1.24 -2.23 115.31 116.66 3i81 h LEU 1018Ca 0.15 -0.39 -0.16 0.00 0.09 0.00 0.00 57.88 57.57 3i81 h LEU 1018Cb 0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3i81 h LEU 1018CO -0.02 0.97 -0.49 0.78 0.09 0.00 0.00 178.44 179.77 3i81 h ASN 1019N 0.52 0.79 -0.45 -0.43 2.35 -1.30 -1.87 115.58 115.18 3i81 h ASN 1019Ca 0.08 -0.40 -0.07 0.00 -0.55 0.00 0.00 56.30 55.37 3i81 h ASN 1019Cb 0.67 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 3i81 h ASN 1019CO 0.05 1.14 0.01 -0.08 -1.65 0.00 0.00 177.43 176.90 3i81 h GLU 1020N 0.57 0.79 -0.10 0.81 4.81 -1.32 -3.01 114.58 117.12 3i81 h GLU 1020Ca 0.03 -0.25 -0.10 0.00 -0.13 0.00 0.00 59.36 58.91 3i81 h GLU 1020Cb 1.06 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 3i81 h GLU 1020CO 0.10 0.85 -0.40 0.00 -0.73 0.00 0.00 179.01 178.83 3i81 h ALA 1021N 0.92 1.14 0.00 2.92 0.00 -1.38 -3.21 119.26 119.65 3i81 h ALA 1021Ca 0.13 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3i81 h ALA 1021Cb 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3i81 h ALA 1021CO 0.02 0.57 0.03 0.43 0.00 0.00 0.00 179.25 180.30 3i81 n SER 1022N -4.04 0.26 -0.04 0.00 7.64 -0.71 -2.05 113.62 114.69 3i81 n SER 1022Ca -0.01 0.60 -0.05 0.00 1.01 0.00 0.00 58.87 60.42 3i81 n SER 1022Cb 0.47 -0.63 0.15 0.00 -1.01 0.00 0.00 64.21 63.18 3i81 n SER 1022CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3i81 h VAL 1023N 0.00 1.27 0.00 0.44 2.07 -1.67 -2.99 116.25 115.36 3i81 h VAL 1023Ca 0.00 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 3i81 h VAL 1023Cb 0.06 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3i81 h VAL 1023CO 0.00 0.42 -0.07 0.24 0.02 0.00 0.00 177.57 178.17 3i81 h MET 1024N 0.56 0.00 -0.52 1.57 2.86 -1.67 -3.08 114.93 114.65 3i81 h MET 1024Ca 0.08 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.80 3i81 h MET 1024Cb 0.68 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 3i81 h MET 1024CO 0.05 0.07 0.35 0.87 1.06 0.00 0.00 176.91 179.31 3i81 h LYS 1025N 0.00 0.38 0.00 1.72 1.57 -1.71 -2.14 116.57 116.39 3i81 h LYS 1025Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3i81 h LYS 1025Cb 0.24 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3i81 h LYS 1025CO 0.01 0.25 0.00 1.49 -0.57 0.00 0.00 179.45 180.63 3i81 h GLU 1026N 0.39 0.00 -5.52 3.15 4.81 -1.74 -3.45 114.58 112.22 3i81 h GLU 1026Ca 0.23 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.84 3i81 h GLU 1026Cb 0.42 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.70 3i81 h GLU 1026CO -0.06 0.00 -0.43 -0.06 -0.73 0.00 0.00 179.01 177.73 3i81 s PHE 1027N -3.39 3.52 -0.41 0.92 0.08 -0.81 -5.04 117.98 112.85 3i81 s PHE 1027Ca 0.05 0.51 0.04 0.00 0.12 0.00 0.00 56.93 57.65 3i81 s PHE 1027Cb 0.09 -2.12 0.17 0.00 -0.57 0.00 0.00 43.02 40.59 3i81 s PHE 1027CO 0.51 0.48 0.35 1.21 -0.10 0.00 0.00 175.22 177.68 3i81 s ASN 1028N -0.28 1.33 -0.00 1.36 2.47 -1.26 -4.81 114.94 113.74 3i81 s ASN 1028Ca 0.14 -3.00 0.00 0.00 0.42 0.00 0.00 52.86 50.42 3i81 s ASN 1028Cb -0.12 -0.34 0.00 0.00 -1.45 0.00 0.00 41.25 39.34 3i81 s ASN 1028CO 0.03 -0.17 -0.00 0.00 -3.72 0.00 0.00 177.10 173.24 3i81 h HIS 1030N 6.22 0.00 -0.55 0.00 2.76 -1.96 -2.95 115.15 118.66 3i81 h HIS 1030Ca -0.26 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 57.82 3i81 h HIS 1030Cb 1.20 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 30.11 3i81 h HIS 1030CO 0.42 0.16 0.10 0.72 -1.30 0.00 0.00 177.93 178.03 3i81 n HIS 1031N -3.56 1.91 -4.00 5.26 8.25 -1.26 -4.87 115.22 116.95 3i81 n HIS 1031Ca -0.01 -1.01 -0.20 0.00 -0.26 0.00 0.00 57.72 56.24 3i81 n HIS 1031Cb 0.30 -0.54 -0.17 0.00 1.12 0.00 0.00 29.99 30.71 3i81 n HIS 1031CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3i81 s VAL 1032N -2.91 0.40 -0.02 1.59 1.01 -1.11 -0.78 120.40 118.57 3i81 s VAL 1032Ca 0.52 -0.00 -0.34 0.00 0.00 0.00 0.00 61.98 62.15 3i81 s VAL 1032Cb 0.41 -0.48 -0.12 0.00 0.00 0.00 0.00 36.38 36.19 3i81 s VAL 1032CO 0.12 0.21 1.81 0.52 0.00 0.00 0.00 175.10 177.77 3i81 n VAL 1033N 4.37 0.45 -3.02 2.92 0.31 -0.02 -4.63 118.33 118.70 3i81 n VAL 1033Ca -0.20 -0.08 -0.35 0.00 -0.01 0.00 0.00 64.34 63.69 3i81 n VAL 1033Cb 0.50 -1.81 -0.06 0.00 -0.91 0.00 0.00 33.84 31.56 3i81 n VAL 1033CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3i81 s ARG 1034N 3.33 4.26 -0.11 5.55 0.52 -1.26 -4.86 118.95 126.39 3i81 s ARG 1034Ca 0.89 0.94 -0.18 0.00 -0.52 0.00 0.00 55.73 56.86 3i81 s ARG 1034Cb -0.68 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.03 3i81 s ARG 1034CO 0.48 0.29 0.47 -1.17 0.02 0.00 0.00 175.30 175.39 3i81 s LEU 1035N -2.29 4.29 -0.11 2.53 0.20 -1.26 -0.92 118.68 121.12 3i81 s LEU 1035Ca 0.48 0.82 0.09 0.00 0.69 0.00 0.00 54.13 56.21 3i81 s LEU 1035Cb -0.15 -2.68 -0.13 0.00 -0.43 0.00 0.00 46.19 42.80 3i81 s LEU 1035CO 0.20 0.02 0.02 0.18 -0.29 0.00 0.00 176.35 176.49 3i81 n LEU 1036N 3.54 0.30 -3.71 -0.68 4.77 0.51 -4.94 117.00 116.79 3i81 n LEU 1036Ca -0.08 -0.01 -0.04 0.00 -0.03 0.00 0.00 56.01 55.86 3i81 n LEU 1036Cb 0.52 0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.78 3i81 n LEU 1036CO 0.43 0.31 0.73 -0.83 -1.33 0.00 0.00 177.39 176.70 3i81 s GLY 1037N -4.40 -0.27 -0.03 -0.72 0.00 -1.03 -4.88 107.32 95.97 3i81 s GLY 1037Ca -0.07 0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.94 3i81 s GLY 1037CO 0.42 0.06 0.00 0.14 0.00 0.00 0.00 173.10 173.72 3i81 s VAL 1038N -3.22 0.18 -0.67 1.40 1.01 -0.60 0.23 120.40 118.73 3i81 s VAL 1038Ca 0.11 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.20 3i81 s VAL 1038Cb -0.01 -0.28 0.17 0.00 0.00 0.00 0.00 36.38 36.26 3i81 s VAL 1038CO 0.00 0.15 0.47 -0.69 0.00 0.00 0.00 175.10 175.03 3i81 s VAL 1039N 1.06 3.29 -0.12 2.92 1.01 0.14 -1.32 120.40 127.37 3i81 s VAL 1039Ca -0.09 -3.61 0.21 0.00 0.00 0.00 0.00 61.98 58.49 3i81 s VAL 1039Cb -0.13 -3.15 -0.20 0.00 0.00 0.00 0.00 36.38 32.90 3i81 s VAL 1039CO -0.02 -0.93 0.65 -1.54 0.00 0.00 0.00 175.10 173.26 3i81 n SER 1040N 2.73 0.40 -4.63 3.32 3.41 -1.26 -0.84 113.62 116.75 3i81 n SER 1040Ca 0.13 0.16 -0.43 0.00 -0.26 0.00 0.00 58.87 58.47 3i81 n SER 1040Cb 0.35 1.10 -0.02 0.00 -0.26 0.00 0.00 64.21 65.38 3i81 n SER 1040CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3i81 s GLN 1041N -3.24 4.02 1.00 4.33 -1.52 -1.26 -4.85 119.66 118.14 3i81 s GLN 1041Ca -0.05 1.02 0.00 0.00 -1.95 0.00 0.00 55.36 54.38 3i81 s GLN 1041Cb 0.11 -3.76 0.00 0.00 -0.22 0.00 0.00 33.01 29.14 3i81 s GLN 1041CO 0.85 -0.96 0.00 0.41 -0.25 0.00 0.00 175.29 175.33 3i81 n GLY 1042N 4.00 -2.02 3.22 3.09 0.00 -1.26 -4.95 105.19 107.27 3i81 n GLY 1042Ca 0.12 -1.40 -0.21 0.00 0.00 0.00 0.00 46.02 44.53 3i81 n GLY 1042CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i81 s GLN 1043N -0.11 0.97 0.45 1.61 -0.21 -1.26 -4.26 119.66 116.85 3i81 s GLN 1043Ca 0.00 -1.01 -0.23 0.00 0.02 0.00 0.00 55.36 54.13 3i81 s GLN 1043Cb 0.00 -1.09 -0.07 0.00 1.00 0.00 0.00 33.01 32.85 3i81 s GLN 1043CO 0.00 0.25 1.18 -1.25 -2.12 0.00 0.00 175.29 173.35 3i81 s PRO 1044N -1.72 3.79 -0.04 2.91 0.04 -1.26 -5.12 135.00 133.59 3i81 s PRO 1044Ca 0.02 1.82 -0.30 0.00 0.04 0.00 0.00 61.00 62.58 3i81 s PRO 1044Cb -0.10 -2.46 -0.04 0.00 0.04 0.00 0.00 34.50 31.95 3i81 s PRO 1044CO 0.03 -0.54 1.29 0.99 0.04 0.00 0.00 177.00 178.81 3i81 s THR 1045N -1.50 4.04 0.10 1.26 2.01 -1.26 -4.92 115.64 115.36 3i81 s THR 1045Ca 0.63 1.38 0.08 0.00 0.31 0.00 0.00 61.69 64.08 3i81 s THR 1045Cb -0.30 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.29 3i81 s THR 1045CO 0.36 -0.01 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.33 3i81 s LEU 1046N 2.41 2.31 -0.13 4.42 1.43 -0.02 -2.98 118.68 126.12 3i81 s LEU 1046Ca 0.59 -0.69 -0.02 0.00 -1.03 0.00 0.00 54.13 52.98 3i81 s LEU 1046Cb -0.27 -0.81 0.04 0.00 0.03 0.00 0.00 46.19 45.18 3i81 s LEU 1046CO 0.23 0.02 -0.00 -0.69 0.23 0.00 0.00 176.35 176.14 3i81 s VAL 1047N -1.29 0.61 -0.14 -1.59 1.01 -0.92 0.28 120.40 118.37 3i81 s VAL 1047Ca 0.06 -0.27 -0.22 0.00 0.00 0.00 0.00 61.98 61.55 3i81 s VAL 1047Cb -0.09 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 3i81 s VAL 1047CO 0.04 0.09 0.65 -0.63 0.00 0.00 0.00 175.10 175.25 3i81 s ILE 1048N 1.85 5.04 0.26 2.22 -1.09 0.13 -1.45 121.20 128.17 3i81 s ILE 1048Ca 0.02 1.28 0.09 0.00 -2.23 0.00 0.00 60.65 59.81 3i81 s ILE 1048Cb -0.14 -3.98 -0.05 0.00 -1.58 0.00 0.00 42.46 36.71 3i81 s ILE 1048CO -0.07 0.18 -0.12 -0.04 -1.23 0.00 0.00 174.94 173.66 3i81 s MET 1049N 1.39 1.54 0.23 2.79 -1.94 0.65 -0.36 119.30 123.60 3i81 s MET 1049Ca 0.32 -1.74 -0.30 0.00 -1.71 0.00 0.00 55.69 52.26 3i81 s MET 1049Cb -0.16 -1.35 -0.10 0.00 2.01 0.00 0.00 34.83 35.23 3i81 s MET 1049CO 0.13 0.16 1.38 -2.00 -0.01 0.00 0.00 175.02 174.68 3i81 s GLU 1050N -3.64 4.32 -0.06 2.03 2.12 -0.10 -1.22 118.70 122.15 3i81 s GLU 1050Ca 0.28 2.19 -0.26 0.00 0.36 0.00 0.00 54.97 57.54 3i81 s GLU 1050Cb 0.00 -3.14 -0.03 0.00 0.26 0.00 0.00 34.13 31.22 3i81 s GLU 1050CO 0.12 -0.34 0.81 -1.17 -0.54 0.00 0.00 175.26 174.13 3i81 s LEU 1051N -0.31 4.31 -0.51 2.70 2.96 -1.26 -4.51 118.68 122.06 3i81 s LEU 1051Ca 0.58 1.34 0.04 0.00 -0.22 0.00 0.00 54.13 55.86 3i81 s LEU 1051Cb -0.40 -3.26 0.13 0.00 0.50 0.00 0.00 46.19 43.17 3i81 s LEU 1051CO 0.41 -0.20 0.25 -0.04 -1.32 0.00 0.00 176.35 175.46 3i81 s MET 1052N 1.05 1.88 0.60 1.98 -1.94 -1.26 -4.81 119.30 116.81 3i81 s MET 1052Ca 0.42 -2.54 0.32 0.00 -1.71 0.00 0.00 55.69 52.18 3i81 s MET 1052Cb -0.19 -3.19 1.88 0.00 2.01 0.00 0.00 34.83 35.34 3i81 s MET 1052CO 0.20 -1.11 2.25 1.79 -0.01 0.00 0.00 175.02 178.14 3i81 h THR 1053N 5.48 0.45 -0.53 2.05 1.35 -1.86 -2.99 112.91 116.85 3i81 h THR 1053Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 3i81 h THR 1053Cb 0.90 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 3i81 h THR 1053CO 0.66 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.47 3i81 n ARG 1054N -3.73 2.30 0.00 4.72 1.74 -0.80 -4.98 116.66 115.91 3i81 n ARG 1054Ca -0.02 -2.02 0.00 0.00 -0.77 0.00 0.00 57.85 55.04 3i81 n ARG 1054Cb 0.12 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 3i81 n ARG 1054CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i81 n GLY 1055N 1.40 0.25 3.79 -0.13 0.00 -1.13 -4.50 105.19 104.87 3i81 n GLY 1055Ca 0.19 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 3i81 n GLY 1055CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3i81 s ASP 1056N -4.00 5.99 0.34 1.61 1.47 -1.26 -0.46 116.67 120.36 3i81 s ASP 1056Ca 0.00 1.94 0.02 0.00 1.18 0.00 0.00 52.55 55.69 3i81 s ASP 1056Cb 0.00 -2.56 0.62 0.00 -0.34 0.00 0.00 42.92 40.65 3i81 s ASP 1056CO 0.00 -1.03 2.00 0.25 0.68 0.00 0.00 175.17 177.07 3i81 h LEU 1057N 1.06 0.75 -0.51 2.11 5.85 -0.31 -0.35 115.31 123.90 3i81 h LEU 1057Ca -0.49 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.18 3i81 h LEU 1057Cb 1.23 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 3i81 h LEU 1057CO 0.58 0.54 0.18 0.50 -0.34 0.00 0.00 178.44 179.89 3i81 h LYS 1058N 0.88 0.79 -0.49 1.25 3.64 -1.74 0.18 116.57 121.08 3i81 h LYS 1058Ca 0.26 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3i81 h LYS 1058Cb -0.04 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 3i81 h LYS 1058CO -0.06 0.72 0.10 0.77 -2.27 0.00 0.00 179.45 178.70 3i81 h SER 1059N 0.70 0.77 -0.27 4.20 0.02 -1.77 -1.63 113.55 115.57 3i81 h SER 1059Ca 0.17 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 3i81 h SER 1059Cb 0.24 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 3i81 h SER 1059CO -0.01 0.82 0.08 0.22 -1.14 0.00 0.00 176.83 176.80 3i81 h TYR 1060N 0.68 0.43 -0.76 3.45 3.20 -0.83 -1.98 116.97 121.16 3i81 h TYR 1060Ca 0.15 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 3i81 h TYR 1060Cb 0.37 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 3i81 h TYR 1060CO 0.03 0.47 0.27 -0.07 -1.64 0.00 0.00 178.16 177.22 3i81 h LEU 1061N 0.27 1.08 -1.11 2.82 3.38 -0.59 -2.67 115.31 118.49 3i81 h LEU 1061Ca 0.09 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 3i81 h LEU 1061Cb 0.25 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3i81 h LEU 1061CO -0.00 0.99 -0.30 0.03 0.09 0.00 0.00 178.44 179.24 3i81 h ARG 1062N 1.13 0.00 0.00 1.13 3.08 -1.23 -2.79 114.38 115.69 3i81 h ARG 1062Ca 0.25 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 3i81 h ARG 1062Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 3i81 h ARG 1062CO -0.01 0.30 -0.01 0.66 -1.07 0.00 0.00 179.97 179.84 3i81 h SER 1063N 0.00 0.00 0.78 7.04 4.64 -1.01 -2.97 113.55 122.03 3i81 h SER 1063Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i81 h SER 1063Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 3i81 h SER 1063CO 0.04 0.01 -0.24 0.18 -0.87 0.00 0.00 176.83 175.95 3i81 n LEU 1064N -3.10 0.25 -4.77 5.97 4.77 -1.05 -4.92 117.00 114.15 3i81 n LEU 1064Ca 0.02 0.27 -0.40 0.00 -0.03 0.00 0.00 56.01 55.87 3i81 n LEU 1064Cb 0.38 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3i81 n LEU 1064CO 0.30 0.05 0.98 -0.13 -1.33 0.00 0.00 177.39 177.26 3i81 s ARG 1065N -3.01 4.20 0.14 3.23 0.52 -1.13 -4.90 118.95 118.01 3i81 s ARG 1065Ca 0.12 2.21 -0.31 0.00 -0.52 0.00 0.00 55.73 57.24 3i81 s ARG 1065Cb 0.18 -2.95 -0.08 0.00 0.52 0.00 0.00 34.95 32.63 3i81 s ARG 1065CO 0.61 -0.32 1.36 -1.25 0.02 0.00 0.00 175.30 175.72 3i81 s PRO 1066N -1.98 4.34 0.00 3.54 0.04 -1.26 -5.09 135.00 134.59 3i81 s PRO 1066Ca 0.52 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.62 3i81 s PRO 1066Cb -0.39 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 30.91 3i81 s PRO 1066CO 0.52 -0.38 0.00 -0.85 0.04 0.00 0.00 177.00 176.33 3i81 n GLU 1067N 3.56 0.00 -4.30 4.56 0.00 -1.26 -5.19 120.64 118.01 3i81 n GLU 1067Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 57.16 57.08 3i81 n GLU 1067Cb 0.43 0.00 -0.15 0.00 0.00 0.00 0.00 31.44 31.72 3i81 n GLU 1067CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 3i81 s GLU 1069N 0.00 0.64 0.00 3.44 8.01 -1.26 -4.91 118.70 124.62 3i81 s GLU 1069Ca 0.00 -0.28 0.00 0.00 0.01 0.00 0.00 54.97 54.70 3i81 s GLU 1069Cb 0.00 -0.62 0.00 0.00 -4.31 0.00 0.00 34.13 29.20 3i81 s GLU 1069CO 0.00 0.16 0.00 0.09 0.01 0.00 0.00 175.26 175.52 3i81 n ASN 1070N 2.92 0.00 -4.75 -0.19 3.02 -1.26 -4.95 115.26 110.04 3i81 n ASN 1070Ca -0.14 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.05 3i81 n ASN 1070Cb 0.57 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.77 3i81 n ASN 1070CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3i81 s ASN 1071N 0.00 5.29 0.62 6.41 0.01 -1.26 -5.00 114.94 121.00 3i81 s ASN 1071Ca 0.00 2.51 -0.16 0.00 -0.71 0.00 0.00 52.86 54.50 3i81 s ASN 1071Cb 0.00 -2.61 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 3i81 s ASN 1071CO 0.00 -1.54 1.11 -2.16 -1.51 0.00 0.00 177.10 173.00 3i81 s PRO 1072N -3.12 3.03 0.06 -0.60 0.04 -1.26 -4.99 135.00 128.15 3i81 s PRO 1072Ca 0.74 1.43 0.04 0.00 0.04 0.00 0.00 61.00 63.25 3i81 s PRO 1072Cb -0.34 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 3i81 s PRO 1072CO 0.38 -1.07 -0.12 0.54 0.04 0.00 0.00 177.00 176.77 3i81 s VAL 1073N -2.19 0.90 0.30 -0.36 0.11 -1.26 -5.06 120.40 112.85 3i81 s VAL 1073Ca 0.68 -1.16 -0.29 0.00 -2.93 0.00 0.00 61.98 58.28 3i81 s VAL 1073Cb -0.21 -0.89 -0.10 0.00 -1.53 0.00 0.00 36.38 33.65 3i81 s VAL 1073CO 0.37 -0.24 1.29 -0.76 -3.33 0.00 0.00 175.10 172.43 3i81 s LEU 1074N -1.56 4.44 0.66 2.54 1.43 -1.26 -5.00 118.68 119.93 3i81 s LEU 1074Ca -0.04 2.60 -0.17 0.00 -1.03 0.00 0.00 54.13 55.49 3i81 s LEU 1074Cb -0.09 -3.64 -0.00 0.00 0.03 0.00 0.00 46.19 42.48 3i81 s LEU 1074CO 0.01 -0.50 1.25 0.00 0.23 0.00 0.00 176.35 177.35 3i81 s ALA 1075N -0.90 2.33 0.66 4.21 0.00 -1.26 -4.95 121.76 121.84 3i81 s ALA 1075Ca 0.50 1.08 -0.17 0.00 0.00 0.00 0.00 51.96 53.37 3i81 s ALA 1075Cb -0.39 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.20 3i81 s ALA 1075CO 0.49 -1.59 0.92 -2.30 0.00 0.00 0.00 175.76 173.28 3i81 n PRO 1076N -2.08 0.69 -1.60 0.00 -0.02 -1.26 -4.84 135.00 125.89 3i81 n PRO 1076Ca 0.15 0.28 -0.48 0.00 -2.02 0.00 0.00 63.50 61.43 3i81 n PRO 1076Cb 0.49 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.78 3i81 n PRO 1076CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3i81 n PRO 1077N -1.31 1.38 -1.18 0.52 -0.02 -1.26 -4.95 135.00 128.18 3i81 n PRO 1077Ca 0.13 0.49 -0.31 0.00 -2.02 0.00 0.00 63.50 61.79 3i81 n PRO 1077Cb 0.48 -2.04 0.10 0.00 -0.02 0.00 0.00 33.50 32.02 3i81 n PRO 1077CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3i81 s SER 1078N 0.13 4.26 0.23 2.55 1.04 -1.26 -4.79 113.70 115.86 3i81 s SER 1078Ca 0.73 1.88 -0.06 0.00 0.48 0.00 0.00 55.95 58.99 3i81 s SER 1078Cb -0.81 -2.53 0.38 0.00 0.10 0.00 0.00 66.02 63.16 3i81 s SER 1078CO 0.51 -2.20 1.74 0.25 0.98 0.00 0.00 173.24 174.52 3i81 h LEU 1079N -1.23 0.30 -0.72 2.42 5.85 -1.99 -0.67 115.31 119.28 3i81 h LEU 1079Ca -0.43 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.41 3i81 h LEU 1079Cb 1.24 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.27 3i81 h LEU 1079CO 0.50 0.15 0.44 0.28 -0.34 0.00 0.00 178.44 179.47 3i81 h SER 1080N 0.47 0.71 -0.11 1.25 0.02 -1.95 0.16 113.55 114.10 3i81 h SER 1080Ca 0.37 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.21 3i81 h SER 1080Cb 0.49 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 3i81 h SER 1080CO -0.35 0.48 -0.29 0.11 -1.14 0.00 0.00 176.83 175.64 3i81 h LYS 1081N 0.85 0.58 -0.30 3.45 1.79 -1.69 -1.61 116.57 119.63 3i81 h LYS 1081Ca 0.30 -0.25 -0.17 0.00 -2.18 0.00 0.00 60.65 58.35 3i81 h LYS 1081Cb 0.07 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 3i81 h LYS 1081CO -0.13 0.81 -0.48 0.52 -1.08 0.00 0.00 179.45 179.09 3i81 h MET 1082N 0.50 0.86 -0.61 3.15 2.86 -0.47 -2.71 114.93 118.51 3i81 h MET 1082Ca 0.06 -0.52 -0.10 0.00 -2.06 0.00 0.00 59.70 57.08 3i81 h MET 1082Cb 0.76 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 3i81 h MET 1082CO 0.06 1.16 0.00 0.82 1.06 0.00 0.00 176.91 180.01 3i81 h ILE 1083N 0.64 1.27 -0.66 -1.22 2.04 -0.62 -1.05 117.51 117.91 3i81 h ILE 1083Ca 0.03 -1.16 0.01 0.00 1.00 0.00 0.00 64.86 64.73 3i81 h ILE 1083Cb 1.09 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 3i81 h ILE 1083CO 0.11 0.42 0.43 -0.61 0.00 0.00 0.00 178.15 178.51 3i81 h GLN 1084N 0.98 0.87 -0.32 2.37 5.75 -1.28 0.29 115.11 123.77 3i81 h GLN 1084Ca 0.17 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.58 3i81 h GLN 1084Cb 0.56 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 3i81 h GLN 1084CO 0.03 0.58 0.04 0.52 -2.65 0.00 0.00 178.83 177.34 3i81 h MET 1085N 0.89 0.54 -0.20 1.69 2.86 -1.31 -2.70 114.93 116.71 3i81 h MET 1085Ca 0.24 -0.15 0.04 0.00 -2.06 0.00 0.00 59.70 57.76 3i81 h MET 1085Cb -0.10 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.46 3i81 h MET 1085CO -0.05 0.65 -0.03 0.00 1.06 0.00 0.00 176.91 178.54 3i81 h ALA 1086N 0.88 0.15 -0.33 6.32 0.00 -0.74 -1.63 119.26 123.90 3i81 h ALA 1086Ca 0.10 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3i81 h ALA 1086Cb 0.37 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3i81 h ALA 1086CO 0.01 -0.46 -0.02 0.78 0.00 0.00 0.00 179.25 179.56 3i81 h GLY 1087N 0.03 0.57 0.70 0.00 0.00 -0.95 -0.70 103.07 102.71 3i81 h GLY 1087Ca 0.09 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 3i81 h GLY 1087CO -0.18 0.32 -0.15 0.83 0.00 0.00 0.00 176.54 177.36 3i81 h GLU 1088N 0.50 0.30 -0.05 4.80 5.08 -1.18 -0.82 114.58 123.22 3i81 h GLU 1088Ca 0.11 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3i81 h GLU 1088Cb 0.36 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 3i81 h GLU 1088CO 0.01 0.73 0.02 0.82 -1.00 0.00 0.00 179.01 179.60 3i81 h ILE 1089N -0.11 1.11 -0.55 3.13 2.04 -1.20 -2.21 117.51 119.73 3i81 h ILE 1089Ca 0.01 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3i81 h ILE 1089Cb 0.69 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 3i81 h ILE 1089CO 0.03 0.09 0.35 0.00 0.00 0.00 0.00 178.15 178.63 3i81 h ALA 1090N 0.89 1.58 -0.33 1.87 0.00 -1.17 -1.46 119.26 120.63 3i81 h ALA 1090Ca 0.02 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3i81 h ALA 1090Cb 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3i81 h ALA 1090CO -0.00 0.38 -0.15 0.22 0.00 0.00 0.00 179.25 179.70 3i81 h ASP 1091N 0.75 0.70 -0.62 0.00 3.58 -0.95 0.75 116.42 120.64 3i81 h ASP 1091Ca 0.20 -0.40 -0.04 0.00 0.42 0.00 0.00 57.03 57.21 3i81 h ASP 1091Cb -0.06 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.76 3i81 h ASP 1091CO -0.04 0.95 0.23 1.23 -2.88 0.00 0.00 179.24 178.73 3i81 h GLY 1092N 0.46 1.04 1.23 -0.78 0.00 -1.07 -1.74 103.07 102.21 3i81 h GLY 1092Ca 0.08 -0.57 -0.20 0.00 0.00 0.00 0.00 47.33 46.64 3i81 h GLY 1092CO 0.05 0.53 -0.68 -0.33 0.00 0.00 0.00 176.54 176.11 3i81 h MET 1093N 0.95 0.77 -0.35 4.80 2.86 -1.16 -2.36 114.93 120.44 3i81 h MET 1093Ca 0.22 -0.57 -0.06 0.00 -2.06 0.00 0.00 59.70 57.23 3i81 h MET 1093Cb 0.23 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 3i81 h MET 1093CO -0.01 1.19 -0.03 0.00 1.06 0.00 0.00 176.91 179.11 3i81 h ALA 1094N 0.67 1.29 -0.14 6.32 0.00 -0.65 -1.05 119.26 125.69 3i81 h ALA 1094Ca -0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3i81 h ALA 1094Cb 1.29 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 3i81 h ALA 1094CO 0.14 0.48 -0.02 -0.92 0.00 0.00 0.00 179.25 178.93 3i81 h TYR 1095N 0.53 0.30 -0.70 0.00 5.03 -1.27 -2.06 116.97 118.81 3i81 h TYR 1095Ca 0.11 -0.06 -0.00 0.00 2.58 0.00 0.00 58.73 61.36 3i81 h TYR 1095Cb 0.39 -0.08 -0.03 0.00 1.55 0.00 0.00 36.73 38.56 3i81 h TYR 1095CO 0.01 0.54 0.44 -0.07 -1.32 0.00 0.00 178.16 177.76 3i81 h LEU 1096N -0.02 0.83 -0.66 2.82 3.38 -1.16 -1.73 115.31 118.77 3i81 h LEU 1096Ca 0.04 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3i81 h LEU 1096Cb 0.43 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3i81 h LEU 1096CO 0.01 0.64 0.20 -1.13 0.09 0.00 0.00 178.44 178.25 3i81 h ASN 1097N 0.96 0.98 0.47 -0.43 -0.00 -1.20 0.49 115.58 116.85 3i81 h ASN 1097Ca 0.25 -0.21 -0.05 0.00 -0.00 0.00 0.00 56.30 56.29 3i81 h ASN 1097Cb -0.05 -0.26 -0.01 0.00 -0.00 0.00 0.00 38.32 38.00 3i81 h ASN 1097CO -0.05 0.94 -0.25 0.00 -0.00 0.00 0.00 177.43 178.07 3i81 h ALA 1098N 1.08 1.28 -0.36 1.57 0.00 -1.10 -2.27 119.26 119.46 3i81 h ALA 1098Ca 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i81 h ALA 1098Cb 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3i81 h ALA 1098CO -0.00 0.31 0.00 0.09 0.00 0.00 0.00 179.25 179.65 3i81 n ASN 1099N -3.80 3.78 -1.33 0.00 3.02 -0.67 -4.92 115.26 111.34 3i81 n ASN 1099Ca -0.01 -2.52 -0.14 0.00 -0.03 0.00 0.00 54.58 51.88 3i81 n ASN 1099Cb 0.35 -0.59 -0.03 0.00 -0.61 0.00 0.00 39.78 38.90 3i81 n ASN 1099CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3i81 n LYS 1100N 0.42 -1.03 -4.16 3.52 5.02 -0.85 -5.03 118.16 116.05 3i81 n LYS 1100Ca 0.17 0.81 -0.33 0.00 -2.02 0.00 0.00 58.31 56.94 3i81 n LYS 1100Cb 0.79 -4.99 -0.08 0.00 -0.02 0.00 0.00 35.03 30.74 3i81 n LYS 1100CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3i81 s PHE 1101N -2.60 3.23 -0.23 2.13 0.40 0.13 -5.00 117.98 116.04 3i81 s PHE 1101Ca 0.00 0.18 -0.01 0.00 -0.60 0.00 0.00 56.93 56.50 3i81 s PHE 1101Cb 0.00 -1.73 0.02 0.00 0.51 0.00 0.00 43.02 41.82 3i81 s PHE 1101CO 0.00 0.53 -0.10 0.08 0.70 0.00 0.00 175.22 176.43 3i81 s VAL 1102N -1.15 2.71 0.08 -0.44 1.01 -1.26 -3.69 120.40 117.66 3i81 s VAL 1102Ca 0.21 -0.94 -0.22 0.00 0.00 0.00 0.00 61.98 61.03 3i81 s VAL 1102Cb -0.12 -2.30 -0.12 0.00 0.00 0.00 0.00 36.38 33.84 3i81 s VAL 1102CO 0.12 0.32 1.65 -0.74 0.00 0.00 0.00 175.10 176.45 3i81 h HIS 1103N 8.00 0.14 0.00 5.22 2.76 -1.96 -3.47 115.15 125.83 3i81 h HIS 1103Ca -0.37 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.79 3i81 h HIS 1103Cb 1.12 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.04 3i81 h HIS 1103CO 0.55 0.20 0.00 0.54 -1.30 0.00 0.00 177.93 177.93 3i81 n ARG 1104N -4.95 0.00 -2.64 5.26 1.74 -1.26 -4.70 116.66 110.11 3i81 n ARG 1104Ca -0.06 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.97 3i81 n ARG 1104Cb 0.09 -2.04 0.04 0.00 -1.02 0.00 0.00 32.46 29.53 3i81 n ARG 1104CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3i81 n ASP 1105N 0.00 2.38 -4.66 0.55 2.03 -1.26 -4.92 116.55 110.67 3i81 n ASP 1105Ca 0.00 -2.45 -0.43 0.00 0.52 0.00 0.00 54.79 52.44 3i81 n ASP 1105Cb 0.00 -0.45 -0.02 0.00 -0.72 0.00 0.00 41.12 39.93 3i81 n ASP 1105CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3i81 s LEU 1106N -3.75 4.26 0.18 -2.67 2.96 -1.26 -4.75 118.68 113.65 3i81 s LEU 1106Ca 0.33 2.00 -0.23 0.00 -0.22 0.00 0.00 54.13 56.01 3i81 s LEU 1106Cb 0.34 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.55 3i81 s LEU 1106CO -0.02 -0.85 0.72 0.00 -1.32 0.00 0.00 176.35 174.87 3i81 s ALA 1107N 3.79 -1.49 0.34 5.97 0.00 -1.26 -4.68 121.76 124.43 3i81 s ALA 1107Ca 0.65 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.85 3i81 s ALA 1107Cb -0.28 0.79 0.62 0.00 0.00 0.00 0.00 23.12 24.25 3i81 s ALA 1107CO 0.23 -0.89 1.97 0.00 0.00 0.00 0.00 175.76 177.07 3i81 h ALA 1108N 2.00 1.49 0.00 0.00 0.00 -1.93 -1.82 119.26 119.00 3i81 h ALA 1108Ca -0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 3i81 h ALA 1108Cb 1.27 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3i81 h ALA 1108CO 0.30 0.43 -0.01 0.07 0.00 0.00 0.00 179.25 180.04 3i81 h ARG 1109N 0.77 0.00 -0.54 0.00 0.11 -1.93 -2.30 114.38 110.48 3i81 h ARG 1109Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 3i81 h ARG 1109Cb 0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.10 3i81 h ARG 1109CO -0.03 0.01 0.00 0.09 0.10 0.00 0.00 179.97 180.13 3i81 n ASN 1110N -3.11 3.90 -4.51 0.08 3.02 -0.70 -4.70 115.26 109.24 3i81 n ASN 1110Ca -0.01 -2.24 -0.31 0.00 -0.03 0.00 0.00 54.58 51.99 3i81 n ASN 1110Cb 0.20 -0.45 -0.12 0.00 -0.61 0.00 0.00 39.78 38.81 3i81 n ASN 1110CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i81 s MET 1112N -1.48 1.68 -0.18 0.00 -1.94 0.50 -0.40 119.30 117.47 3i81 s MET 1112Ca 0.16 -1.29 -0.02 0.00 -1.71 0.00 0.00 55.69 52.83 3i81 s MET 1112Cb -0.11 -2.02 -0.01 0.00 2.01 0.00 0.00 34.83 34.70 3i81 s MET 1112CO 0.07 0.45 -0.09 0.08 -0.01 0.00 0.00 175.02 175.52 3i81 s VAL 1113N -1.27 3.11 0.82 -6.03 1.01 0.39 -0.88 120.40 117.55 3i81 s VAL 1113Ca 0.18 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 3i81 s VAL 1113Cb -0.10 -2.37 0.11 0.00 0.00 0.00 0.00 36.38 34.02 3i81 s VAL 1113CO 0.10 0.47 1.16 0.00 0.00 0.00 0.00 175.10 176.83 3i81 s ALA 1114N 1.05 2.73 0.22 5.51 0.00 -0.33 -1.90 121.76 129.04 3i81 s ALA 1114Ca -0.00 -0.91 -0.08 0.00 0.00 0.00 0.00 51.96 50.97 3i81 s ALA 1114Cb -0.15 -2.78 0.30 0.00 0.00 0.00 0.00 23.12 20.50 3i81 s ALA 1114CO -0.01 -1.76 1.77 1.49 0.00 0.00 0.00 175.76 177.24 3i81 h GLU 1115N -1.06 0.52 -0.27 0.00 4.57 -1.89 -1.65 114.58 114.80 3i81 h GLU 1115Ca -0.45 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 3i81 h GLU 1115Cb 1.30 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3i81 h GLU 1115CO 0.56 0.34 0.00 -0.40 -1.18 0.00 0.00 179.01 178.33 3i81 n ASP 1116N -4.91 0.63 0.00 1.04 5.75 -1.26 -4.89 116.55 112.91 3i81 n ASP 1116Ca 0.10 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 3i81 n ASP 1116Cb 0.26 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 3i81 n ASP 1116CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3i81 n PHE 1117N -0.21 0.00 -1.99 2.11 3.72 -0.62 -5.02 117.46 115.45 3i81 n PHE 1117Ca 0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 3i81 n PHE 1117Cb 0.12 -0.34 -0.03 0.00 -0.94 0.00 0.00 39.48 38.29 3i81 n PHE 1117CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3i81 s THR 1118N -2.69 3.09 -0.02 4.37 2.01 -1.26 -4.67 115.64 116.48 3i81 s THR 1118Ca 0.00 0.61 -0.18 0.00 0.31 0.00 0.00 61.69 62.43 3i81 s THR 1118Cb 0.00 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 3i81 s THR 1118CO 0.00 0.01 0.49 -0.69 -0.69 0.00 0.00 174.62 173.74 3i81 s VAL 1119N 2.23 4.99 0.09 3.82 1.01 -1.26 -1.18 120.40 130.10 3i81 s VAL 1119Ca 0.71 1.02 0.02 0.00 0.00 0.00 0.00 61.98 63.72 3i81 s VAL 1119Cb -0.39 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 3i81 s VAL 1119CO 0.31 0.48 -0.06 -0.54 0.00 0.00 0.00 175.10 175.28 3i81 s LYS 1120N -0.46 0.79 -0.12 2.72 1.02 -0.06 -4.46 119.74 119.16 3i81 s LYS 1120Ca 0.27 -1.28 -0.29 0.00 0.02 0.00 0.00 55.97 54.69 3i81 s LYS 1120Cb -0.17 -0.17 -0.03 0.00 -0.52 0.00 0.00 37.83 36.93 3i81 s LYS 1120CO 0.14 -0.02 1.46 0.42 -0.92 0.00 0.00 175.35 176.43 3i81 s ILE 1121N -3.46 3.94 1.13 2.17 -1.09 0.04 -0.37 121.20 123.55 3i81 s ILE 1121Ca 0.10 1.13 -0.17 0.00 -2.23 0.00 0.00 60.65 59.48 3i81 s ILE 1121Cb 0.04 -3.75 0.25 0.00 -1.58 0.00 0.00 42.46 37.43 3i81 s ILE 1121CO -0.05 -0.12 1.10 -0.83 -1.23 0.00 0.00 174.94 173.81 3i81 s GLY 1122N 2.74 1.57 0.35 6.18 0.00 -0.27 -0.84 107.32 117.06 3i81 s GLY 1122Ca 0.64 -0.72 -0.27 0.00 0.00 0.00 0.00 44.72 44.37 3i81 s GLY 1122CO 0.22 0.06 1.17 -0.35 0.00 0.00 0.00 173.10 174.21 3i81 s ASP 1123N -3.70 6.78 0.20 1.64 2.15 -1.26 -4.75 116.67 117.73 3i81 s ASP 1123Ca 0.69 2.38 -0.30 0.00 0.43 0.00 0.00 52.55 55.75 3i81 s ASP 1123Cb -0.13 -2.62 -0.08 0.00 -0.30 0.00 0.00 42.92 39.78 3i81 s ASP 1123CO 0.57 -0.50 1.06 -0.36 -0.17 0.00 0.00 175.17 175.78 3i81 s PHE 1124N -1.31 3.67 -0.44 -5.34 2.99 -1.26 -3.62 117.98 112.68 3i81 s PHE 1124Ca 0.52 1.68 0.00 0.00 0.00 0.00 0.00 56.93 59.13 3i81 s PHE 1124Cb -0.32 -3.21 0.00 0.00 0.00 0.00 0.00 43.02 39.48 3i81 s PHE 1124CO 0.41 -0.36 0.00 0.41 -0.00 0.00 0.00 175.22 175.68 3i81 n GLY 1125N 1.85 0.63 1.35 4.36 0.00 -1.26 -4.88 105.19 107.24 3i81 n GLY 1125Ca 0.01 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 45.90 3i81 n GLY 1125CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i81 n MET 1126N -1.80 2.81 -1.31 1.61 2.81 -1.24 -4.55 117.12 115.46 3i81 n MET 1126Ca -0.04 -2.66 -0.35 0.00 -1.81 0.00 0.00 57.70 52.83 3i81 n MET 1126Cb 0.27 -1.58 0.09 0.00 -0.71 0.00 0.00 33.22 31.29 3i81 n MET 1126CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3i81 n THR 1127N 1.57 2.59 -2.37 2.03 -1.04 -1.26 -4.82 114.28 110.99 3i81 n THR 1127Ca 0.24 -0.35 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 3i81 n THR 1127Cb 0.64 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.07 3i81 n THR 1127CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 3i81 n ARG 1128N -1.94 0.00 -0.04 -2.82 -4.01 -1.26 -4.88 116.66 101.71 3i81 n ARG 1128Ca 0.13 0.00 0.06 0.00 -1.04 0.00 0.00 57.85 57.00 3i81 n ARG 1128Cb 0.50 0.00 0.31 0.00 -3.04 0.00 0.00 32.46 30.23 3i81 n ARG 1128CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 3i81 n ASP 1129N 3.23 0.52 -0.81 2.89 8.00 -1.26 -4.82 116.55 124.31 3i81 n ASP 1129Ca 0.00 -1.71 0.09 0.00 0.71 0.00 0.00 54.79 53.88 3i81 n ASP 1129Cb 0.00 -0.05 0.24 0.00 -0.02 0.00 0.00 41.12 41.30 3i81 n ASP 1129CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3i81 n ILE 1130N -0.35 0.51 -2.16 0.53 -6.64 -1.26 -4.34 119.36 105.64 3i81 n ILE 1130Ca 0.10 -0.56 -0.26 0.00 -1.77 0.00 0.00 62.75 60.25 3i81 n ILE 1130Cb 0.12 0.39 0.02 0.00 -1.44 0.00 0.00 39.64 38.73 3i81 n ILE 1130CO 0.00 0.00 0.00 -1.22 -1.77 0.00 0.00 176.55 173.56 3i81 n TYR 1131N 0.79 3.04 0.15 4.28 4.01 -1.26 -4.78 117.16 123.39 3i81 n TYR 1131Ca 0.16 -2.62 0.01 0.00 -0.16 0.00 0.00 57.90 55.30 3i81 n TYR 1131Cb 0.40 -0.33 0.32 0.00 -0.31 0.00 0.00 39.34 39.42 3i81 n TYR 1131CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3i81 h GLU 1132N 2.36 0.09 0.00 -0.72 3.07 -1.96 -2.83 114.58 114.59 3i81 h GLU 1132Ca 0.36 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 59.18 3i81 h GLU 1132Cb 1.20 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.11 3i81 h GLU 1132CO 0.87 0.44 -0.01 1.79 -1.40 0.00 0.00 179.01 180.69 3i81 h THR 1133N 0.08 0.07 0.00 1.13 1.35 -1.96 -2.67 112.91 110.91 3i81 h THR 1133Ca 0.01 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 3i81 h THR 1133Cb 0.67 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 3i81 h THR 1133CO 0.05 0.01 0.00 0.47 -0.25 0.00 0.00 175.52 175.80 3i81 n ASP 1134N -3.15 0.00 -4.16 5.36 9.92 -1.07 -4.82 116.55 118.64 3i81 n ASP 1134Ca -0.01 -1.03 -0.22 0.00 -0.53 0.00 0.00 54.79 53.00 3i81 n ASP 1134Cb 0.20 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.54 3i81 n ASP 1134CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3i81 s TYR 1135N -2.00 1.35 -0.05 1.24 1.51 -1.01 -4.35 117.35 114.04 3i81 s TYR 1135Ca 0.43 -0.33 0.01 0.00 -1.01 0.00 0.00 57.07 56.17 3i81 s TYR 1135Cb 0.20 -0.81 0.02 0.00 -0.11 0.00 0.00 41.96 41.25 3i81 s TYR 1135CO 0.33 0.03 -0.07 -0.47 -1.11 0.00 0.00 175.55 174.27 3i81 s TYR 1136N -0.73 0.95 -0.83 2.71 5.04 -0.23 -4.78 117.35 119.47 3i81 s TYR 1136Ca 0.03 -0.30 -0.26 0.00 -2.44 0.00 0.00 57.07 54.11 3i81 s TYR 1136Cb -0.08 -0.77 0.03 0.00 0.35 0.00 0.00 41.96 41.50 3i81 s TYR 1136CO 0.01 -0.21 1.40 0.50 -1.34 0.00 0.00 175.55 175.91 3i81 s ARG 1137N 0.79 3.26 0.00 4.97 3.00 -1.26 -2.20 118.95 127.52 3i81 s ARG 1137Ca -0.12 -0.49 0.00 0.00 -1.00 0.00 0.00 55.73 54.12 3i81 s ARG 1137Cb -0.15 -4.63 0.00 0.00 0.00 0.00 0.00 34.95 30.17 3i81 s ARG 1137CO 0.01 -2.26 0.00 -0.11 0.00 0.00 0.00 175.30 172.95 3i81 n LEU 1143N 9.61 0.00 -4.17 -0.88 -0.00 -1.26 -5.17 117.00 115.13 3i81 n LEU 1143Ca 0.16 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.92 3i81 n LEU 1143Cb 0.50 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.76 3i81 n LEU 1143CO 0.69 0.00 -0.50 -0.76 -0.00 0.00 0.00 177.39 176.82 3i81 s LEU 1144N 0.00 2.02 -1.29 -1.96 1.43 -0.94 -5.07 118.68 112.88 3i81 s LEU 1144Ca 0.00 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.67 3i81 s LEU 1144Cb 0.00 -0.92 0.15 0.00 0.03 0.00 0.00 46.19 45.46 3i81 s LEU 1144CO 0.00 0.21 1.83 -0.81 0.23 0.00 0.00 176.35 177.82 3i81 n PRO 1145N 2.69 3.49 -0.33 1.29 -0.04 -1.26 -1.06 135.00 139.78 3i81 n PRO 1145Ca -0.15 -3.48 0.20 0.00 -0.04 0.00 0.00 63.50 60.02 3i81 n PRO 1145Cb 0.54 -3.00 0.41 0.00 -0.04 0.00 0.00 33.50 31.41 3i81 n PRO 1145CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3i81 h VAL 1146N 3.97 0.38 0.00 0.52 -1.51 -1.90 -1.28 116.25 116.43 3i81 h VAL 1146Ca 0.40 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.74 3i81 h VAL 1146Cb 0.68 -0.03 0.00 0.00 -2.13 0.00 0.00 31.29 29.80 3i81 h VAL 1146CO 1.58 0.07 0.00 0.54 -1.23 0.00 0.00 177.57 178.53 3i81 n ARG 1147N -5.04 0.19 0.00 5.19 1.74 -1.26 -2.79 116.66 114.69 3i81 n ARG 1147Ca 0.28 0.38 0.05 0.00 -0.77 0.00 0.00 57.85 57.79 3i81 n ARG 1147Cb 0.85 -1.84 0.02 0.00 -1.02 0.00 0.00 32.46 30.47 3i81 n ARG 1147CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3i81 n TRP 1148N -2.19 0.00 -3.20 -1.55 8.01 -0.51 -4.90 117.44 113.10 3i81 n TRP 1148Ca 0.03 0.00 -0.36 0.00 -1.31 0.00 0.00 57.50 55.85 3i81 n TRP 1148Cb 0.25 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.50 3i81 n TRP 1148CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3i81 s MET 1149N -1.15 4.17 0.75 -0.99 -1.94 -1.05 -3.95 119.30 115.13 3i81 s MET 1149Ca 0.11 0.75 -0.11 0.00 -1.71 0.00 0.00 55.69 54.72 3i81 s MET 1149Cb 0.09 -2.96 0.04 0.00 2.01 0.00 0.00 34.83 34.01 3i81 s MET 1149CO 0.20 0.46 1.09 -1.54 -0.01 0.00 0.00 175.02 175.22 3i81 s SER 1150N -1.58 4.70 0.41 3.03 1.04 -1.26 -4.88 113.70 115.17 3i81 s SER 1150Ca 0.39 1.82 0.08 0.00 0.48 0.00 0.00 55.95 58.72 3i81 s SER 1150Cb -0.17 -2.52 0.86 0.00 0.10 0.00 0.00 66.02 64.29 3i81 s SER 1150CO 0.20 -1.90 2.03 -0.65 0.98 0.00 0.00 173.24 173.90 3i81 h PRO 1151N -0.91 0.45 -0.28 4.02 0.11 -1.89 -2.53 132.00 130.96 3i81 h PRO 1151Ca -0.44 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.49 3i81 h PRO 1151Cb 1.23 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3i81 h PRO 1151CO 0.52 0.35 -0.39 1.05 -0.21 0.00 0.00 178.00 179.33 3i81 h GLU 1152N 0.46 0.66 -0.14 1.05 9.09 -1.92 -2.54 114.58 121.23 3i81 h GLU 1152Ca 0.12 -0.34 -0.12 0.00 0.05 0.00 0.00 59.36 59.07 3i81 h GLU 1152Cb 0.04 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.14 3i81 h GLU 1152CO -0.02 0.94 -0.44 0.77 0.05 0.00 0.00 179.01 180.31 3i81 h SER 1153N 0.55 0.35 0.93 3.06 0.02 -1.60 -0.80 113.55 116.06 3i81 h SER 1153Ca 0.05 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 60.77 3i81 h SER 1153Cb 0.91 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 3i81 h SER 1153CO 0.08 0.74 -0.36 -0.07 -1.14 0.00 0.00 176.83 176.08 3i81 h LEU 1154N 0.27 0.00 0.00 5.07 3.38 -1.39 -1.72 115.31 120.92 3i81 h LEU 1154Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3i81 h LEU 1154Cb 0.88 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 3i81 h LEU 1154CO 0.07 0.36 -0.13 0.11 0.09 0.00 0.00 178.44 178.95 3i81 h LYS 1155N 0.00 0.00 -0.01 1.13 1.57 -1.06 -3.43 116.57 114.78 3i81 h LYS 1155Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i81 h LYS 1155Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 3i81 h LYS 1155CO 0.05 0.00 -0.25 -0.40 -0.57 0.00 0.00 179.45 178.28 3i81 n ASP 1156N -4.74 1.24 -0.38 0.86 5.75 -0.34 -5.01 116.55 113.93 3i81 n ASP 1156Ca -0.02 -1.12 -0.05 0.00 -0.01 0.00 0.00 54.79 53.59 3i81 n ASP 1156Cb 0.07 0.50 -0.02 0.00 -1.03 0.00 0.00 41.12 40.64 3i81 n ASP 1156CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i81 n GLY 1157N 0.96 0.76 3.74 6.12 0.00 -0.65 -5.03 105.19 111.10 3i81 n GLY 1157Ca 0.04 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 3i81 n GLY 1157CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i81 s VAL 1158N -2.13 5.36 -0.08 1.61 1.01 -1.26 -5.00 120.40 119.91 3i81 s VAL 1158Ca 0.00 0.38 0.04 0.00 0.00 0.00 0.00 61.98 62.40 3i81 s VAL 1158Cb 0.00 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 3i81 s VAL 1158CO 0.00 0.43 -0.20 -0.36 0.00 0.00 0.00 175.10 174.97 3i81 s PHE 1159N 0.29 2.59 0.29 5.22 0.40 -1.26 -3.90 117.98 121.61 3i81 s PHE 1159Ca 0.13 -0.61 0.04 0.00 -0.60 0.00 0.00 56.93 55.89 3i81 s PHE 1159Cb -0.12 -1.67 -0.01 0.00 0.51 0.00 0.00 43.02 41.73 3i81 s PHE 1159CO 0.02 -0.14 0.13 0.25 0.70 0.00 0.00 175.22 176.17 3i81 n THR 1160N 2.98 0.00 0.24 0.64 -2.24 -1.26 -5.01 114.28 109.63 3i81 n THR 1160Ca -0.18 -1.77 0.11 0.00 -2.27 0.00 0.00 64.05 59.94 3i81 n THR 1160Cb 0.52 0.69 0.59 0.00 -2.10 0.00 0.00 70.33 70.03 3i81 n THR 1160CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i81 h THR 1161N 1.56 0.64 -0.28 4.28 1.03 -1.98 -2.46 112.91 115.70 3i81 h THR 1161Ca -0.22 -0.83 -0.15 0.00 -0.01 0.00 0.00 66.41 65.20 3i81 h THR 1161Cb 0.90 1.53 -0.01 0.00 -1.07 0.00 0.00 68.15 69.50 3i81 h THR 1161CO 0.35 0.19 -0.42 1.88 -0.01 0.00 0.00 175.52 177.51 3i81 h TYR 1162N 0.00 0.83 0.00 0.00 0.05 -1.95 -2.01 116.97 113.89 3i81 h TYR 1162Ca -0.00 -0.25 -0.10 0.00 0.05 0.00 0.00 58.73 58.42 3i81 h TYR 1162Cb 0.52 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 3i81 h TYR 1162CO 0.00 0.99 -0.50 0.66 -1.05 0.00 0.00 178.16 178.27 3i81 h SER 1163N 0.56 0.00 -0.02 3.88 4.64 -1.83 -2.55 113.55 118.23 3i81 h SER 1163Ca 0.04 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.23 3i81 h SER 1163Cb 0.96 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 3i81 h SER 1163CO 0.09 0.50 -0.41 0.44 -0.87 0.00 0.00 176.83 176.57 3i81 h ASP 1164N 0.00 0.58 -0.58 4.97 3.32 -1.24 -2.36 116.42 121.11 3i81 h ASP 1164Ca -0.00 -0.26 -0.07 0.00 0.02 0.00 0.00 57.03 56.72 3i81 h ASP 1164Cb 1.10 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 3i81 h ASP 1164CO 0.06 0.92 0.08 0.58 -1.72 0.00 0.00 179.24 179.16 3i81 h VAL 1165N 0.45 1.26 -0.28 -1.35 2.07 -1.17 -0.62 116.25 116.60 3i81 h VAL 1165Ca 0.04 -1.00 0.03 0.00 0.82 0.00 0.00 66.70 66.58 3i81 h VAL 1165Cb 0.91 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3i81 h VAL 1165CO 0.08 0.37 0.10 -0.25 0.02 0.00 0.00 177.57 177.88 3i81 h TRP 1166N 0.86 0.17 -0.70 1.57 2.91 -1.26 -1.74 115.95 117.76 3i81 h TRP 1166Ca 0.17 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.19 3i81 h TRP 1166Cb 0.44 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 29.02 3i81 h TRP 1166CO 0.03 0.08 0.38 0.77 -1.03 0.00 0.00 178.44 178.67 3i81 h SER 1167N 0.22 0.87 -0.90 2.65 0.02 -1.21 -2.32 113.55 112.88 3i81 h SER 1167Ca 0.13 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3i81 h SER 1167Cb 0.09 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 3i81 h SER 1167CO -0.13 0.70 0.56 0.15 -1.14 0.00 0.00 176.83 176.97 3i81 h PHE 1168N 0.98 1.18 -0.84 3.45 3.57 -0.47 -0.82 116.94 123.99 3i81 h PHE 1168Ca 0.25 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 3i81 h PHE 1168Cb 0.03 -0.39 -0.04 0.00 2.79 0.00 0.00 35.95 38.33 3i81 h PHE 1168CO 0.01 0.77 0.51 0.78 -2.23 0.00 0.00 178.31 178.15 3i81 h GLY 1169N 1.25 1.21 1.70 2.40 0.00 -0.78 -1.22 103.07 107.62 3i81 h GLY 1169Ca 0.33 -0.50 -0.13 0.00 0.00 0.00 0.00 47.33 47.03 3i81 h GLY 1169CO -0.06 0.48 -0.49 -2.08 0.00 0.00 0.00 176.54 174.39 3i81 h VAL 1170N 1.15 1.34 -0.53 4.60 2.07 -1.11 -2.27 116.25 121.49 3i81 h VAL 1170Ca 0.30 -1.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.06 3i81 h VAL 1170Cb -0.06 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3i81 h VAL 1170CO -0.06 0.52 0.18 0.58 0.02 0.00 0.00 177.57 178.81 3i81 h VAL 1171N 0.26 1.23 -0.67 2.57 2.07 -0.37 0.15 116.25 121.49 3i81 h VAL 1171Ca 0.01 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.77 3i81 h VAL 1171Cb 0.96 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 3i81 h VAL 1171CO 0.08 0.29 0.44 -0.07 0.02 0.00 0.00 177.57 178.33 3i81 h LEU 1172N 0.74 0.76 -0.90 2.57 3.38 -1.06 -0.74 115.31 120.06 3i81 h LEU 1172Ca 0.17 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3i81 h LEU 1172Cb 0.26 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3i81 h LEU 1172CO -0.01 0.55 0.37 -0.25 0.09 0.00 0.00 178.44 179.19 3i81 h TRP 1173N 0.90 1.17 -0.64 1.13 7.01 -1.08 -1.52 115.95 122.92 3i81 h TRP 1173Ca 0.25 -0.06 -0.07 0.00 2.11 0.00 0.00 58.89 61.12 3i81 h TRP 1173Cb -0.10 -0.36 -0.03 0.00 -2.10 0.00 0.00 29.16 26.57 3i81 h TRP 1173CO -0.03 0.86 0.14 0.93 -2.79 0.00 0.00 178.44 177.55 3i81 h GLU 1174N 1.15 1.03 -0.38 2.65 5.08 -0.24 -1.44 114.58 122.44 3i81 h GLU 1174Ca 0.28 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3i81 h GLU 1174Cb 0.14 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3i81 h GLU 1174CO -0.03 0.93 0.15 0.82 -1.00 0.00 0.00 179.01 179.89 3i81 h ILE 1175N 0.95 1.19 0.00 3.13 2.04 -0.79 0.52 117.51 124.55 3i81 h ILE 1175Ca 0.20 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 3i81 h ILE 1175Cb 0.38 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3i81 h ILE 1175CO 0.00 0.21 -0.25 0.00 0.00 0.00 0.00 178.15 178.12 3i81 h ALA 1176N 1.00 1.10 -0.02 1.87 0.00 -1.15 -3.13 119.26 118.93 3i81 h ALA 1176Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3i81 h ALA 1176Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3i81 h ALA 1176CO -0.01 0.31 -0.14 0.25 0.00 0.00 0.00 179.25 179.66 3i81 n THR 1177N -3.54 0.00 -3.20 0.00 -2.24 -0.55 -4.85 114.28 99.90 3i81 n THR 1177Ca -0.01 -0.43 -0.15 0.00 -2.27 0.00 0.00 64.05 61.20 3i81 n THR 1177Cb 0.40 1.32 0.07 0.00 -2.10 0.00 0.00 70.33 70.02 3i81 n THR 1177CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i81 n LEU 1178N 0.60 -4.40 -3.56 3.22 4.77 -0.24 -3.88 117.00 113.52 3i81 n LEU 1178Ca 0.09 -0.59 -0.19 0.00 -0.03 0.00 0.00 56.01 55.29 3i81 n LEU 1178Cb 0.42 -2.90 0.06 0.00 -2.33 0.00 0.00 43.42 38.68 3i81 n LEU 1178CO 0.15 0.24 0.02 0.00 -1.33 0.00 0.00 177.39 176.48 3i81 n ALA 1179N -3.52 -2.05 -1.76 -1.18 0.00 0.17 -4.10 120.51 108.07 3i81 n ALA 1179Ca -0.18 -0.11 -0.31 0.00 0.00 0.00 0.00 53.44 52.84 3i81 n ALA 1179Cb 0.64 -2.35 0.01 0.00 0.00 0.00 0.00 19.45 17.75 3i81 n ALA 1179CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i81 s GLU 1180N -5.63 3.44 -0.16 0.00 2.02 -1.25 -4.91 118.70 112.21 3i81 s GLU 1180Ca 0.03 0.89 -0.29 0.00 0.02 0.00 0.00 54.97 55.61 3i81 s GLU 1180Cb -0.01 -2.06 -0.02 0.00 0.10 0.00 0.00 34.13 32.14 3i81 s GLU 1180CO 0.77 -0.70 1.37 -0.65 0.02 0.00 0.00 175.26 176.08 3i81 s GLN 1181N -4.85 4.16 0.26 1.61 -1.52 -1.26 -4.89 119.66 113.18 3i81 s GLN 1181Ca 0.57 1.73 -0.30 0.00 -1.95 0.00 0.00 55.36 55.41 3i81 s GLN 1181Cb -0.12 -3.84 -0.11 0.00 -0.22 0.00 0.00 33.01 28.72 3i81 s GLN 1181CO 0.49 -0.82 1.53 -2.14 -0.25 0.00 0.00 175.29 174.10 3i81 s PRO 1182N 3.76 4.19 -1.21 2.91 0.02 -1.26 -2.32 135.00 141.09 3i81 s PRO 1182Ca 0.60 2.44 -0.05 0.00 0.02 0.00 0.00 61.00 64.01 3i81 s PRO 1182Cb -0.24 -3.07 0.01 0.00 0.02 0.00 0.00 34.50 31.22 3i81 s PRO 1182CO 0.20 -0.54 1.04 0.66 -0.33 0.00 0.00 177.00 178.03 3i81 n TYR 1183N 2.42 -2.43 -0.33 6.54 4.01 -1.26 -4.93 117.16 121.18 3i81 n TYR 1183Ca 0.08 0.93 0.06 0.00 -0.16 0.00 0.00 57.90 58.81 3i81 n TYR 1183Cb 0.39 -4.85 0.15 0.00 -0.31 0.00 0.00 39.34 34.72 3i81 n TYR 1183CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 3i81 h GLN 1184N -2.22 0.01 0.00 -0.72 4.15 -1.88 -0.12 115.11 114.33 3i81 h GLN 1184Ca -0.54 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.88 3i81 h GLN 1184Cb 1.34 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.02 3i81 h GLN 1184CO 0.50 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.82 3i81 n GLY 1185N -1.57 -0.91 3.28 2.39 0.00 -1.26 -4.81 105.19 102.30 3i81 n GLY 1185Ca 0.16 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 3i81 n GLY 1185CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i81 s LEU 1186N -1.45 2.06 0.76 0.99 1.43 -0.06 -5.14 118.68 117.28 3i81 s LEU 1186Ca 0.20 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.73 3i81 s LEU 1186Cb 0.09 -1.23 0.05 0.00 0.03 0.00 0.00 46.19 45.12 3i81 s LEU 1186CO 0.15 0.29 1.09 -0.94 0.23 0.00 0.00 176.35 177.17 3i81 s SER 1187N -0.65 4.87 0.29 2.29 1.04 -1.26 -4.76 113.70 115.52 3i81 s SER 1187Ca 0.09 1.31 0.04 0.00 0.48 0.00 0.00 55.95 57.87 3i81 s SER 1187Cb -0.09 -2.08 0.69 0.00 0.10 0.00 0.00 66.02 64.63 3i81 s SER 1187CO -0.01 -1.73 1.76 0.78 0.98 0.00 0.00 173.24 175.03 3i81 h ASN 1188N -0.92 0.68 -0.29 7.02 2.35 -1.99 0.45 115.58 122.89 3i81 h ASN 1188Ca -0.46 0.10 -0.13 0.00 -0.55 0.00 0.00 56.30 55.26 3i81 h ASN 1188Cb 1.26 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.60 3i81 h ASN 1188CO 0.60 0.23 -0.30 -0.33 -1.65 0.00 0.00 177.43 175.99 3i81 h GLU 1189N 0.69 0.80 -0.29 0.81 4.39 -2.00 -2.53 114.58 116.46 3i81 h GLU 1189Ca 0.55 -0.37 -0.12 0.00 0.34 0.00 0.00 59.36 59.76 3i81 h GLU 1189Cb 0.86 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 3i81 h GLU 1189CO -0.39 0.99 -0.33 1.96 -1.16 0.00 0.00 179.01 180.08 3i81 h GLN 1190N 0.68 0.63 -0.33 2.33 4.20 -1.53 -3.01 115.11 118.08 3i81 h GLN 1190Ca 0.08 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 3i81 h GLN 1190Cb 0.84 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.59 3i81 h GLN 1190CO 0.07 0.88 0.15 0.28 -0.67 0.00 0.00 178.83 179.54 3i81 h VAL 1191N 0.54 1.17 0.01 -0.54 2.07 -0.86 -1.01 116.25 117.62 3i81 h VAL 1191Ca 0.06 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.12 3i81 h VAL 1191Cb 0.83 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 3i81 h VAL 1191CO 0.07 0.18 -0.35 -0.07 0.02 0.00 0.00 177.57 177.41 3i81 h LEU 1192N 0.40 -1.06 -0.01 2.57 3.38 -1.39 -1.46 115.31 117.73 3i81 h LEU 1192Ca 0.11 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 3i81 h LEU 1192Cb 0.14 0.42 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 3i81 h LEU 1192CO -0.01 -0.41 0.01 0.03 0.09 0.00 0.00 178.44 178.14 3i81 h ARG 1193N -0.51 0.02 -0.16 1.13 3.08 -1.49 -2.47 114.38 113.97 3i81 h ARG 1193Ca 0.06 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.14 3i81 h ARG 1193Cb 0.59 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 3i81 h ARG 1193CO -0.28 0.13 -0.11 0.35 -1.07 0.00 0.00 179.97 178.98 3i81 h PHE 1194N -0.09 -0.28 -0.34 3.04 3.57 -1.05 -0.65 116.94 121.14 3i81 h PHE 1194Ca 0.00 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 3i81 h PHE 1194Cb 0.11 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3i81 h PHE 1194CO -0.04 -0.17 -0.01 0.28 -2.23 0.00 0.00 178.31 176.14 3i81 h VAL 1195N -0.12 1.26 0.00 1.41 2.07 -1.32 0.18 116.25 119.74 3i81 h VAL 1195Ca 0.10 -1.00 -0.05 0.00 0.82 0.00 0.00 66.70 66.57 3i81 h VAL 1195Cb 0.26 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3i81 h VAL 1195CO -0.23 0.33 -0.23 0.24 0.02 0.00 0.00 177.57 177.70 3i81 h MET 1196N 0.42 0.00 -0.01 1.57 2.86 -1.30 -2.49 114.93 115.98 3i81 h MET 1196Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3i81 h MET 1196Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 3i81 h MET 1196CO 0.02 0.23 -0.01 0.39 1.06 0.00 0.00 176.91 178.60 3i81 n GLU 1197N -3.91 1.31 0.00 1.72 1.02 -0.26 -4.91 120.64 115.61 3i81 n GLU 1197Ca -0.02 -0.48 0.00 0.00 -0.02 0.00 0.00 57.16 56.64 3i81 n GLU 1197Cb 0.32 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 3i81 n GLU 1197CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i81 n GLY 1198N 1.10 1.02 3.77 0.62 0.00 -0.94 -5.07 105.19 105.70 3i81 n GLY 1198Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 3i81 n GLY 1198CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i81 s GLY 1199N -2.00 2.76 0.14 -0.02 0.00 0.64 -4.99 107.32 103.84 3i81 s GLY 1199Ca 0.00 0.88 0.05 0.00 0.00 0.00 0.00 44.72 45.65 3i81 s GLY 1199CO 0.00 1.32 -0.12 1.08 0.00 0.00 0.00 173.10 175.38 3i81 s LEU 1200N -2.95 2.47 0.39 0.66 1.43 -1.26 -4.42 118.68 115.00 3i81 s LEU 1200Ca 0.62 -0.91 -0.26 0.00 -1.03 0.00 0.00 54.13 52.55 3i81 s LEU 1200Cb -0.27 -0.45 -0.09 0.00 0.03 0.00 0.00 46.19 45.42 3i81 s LEU 1200CO 0.33 -0.24 1.20 -0.76 0.23 0.00 0.00 176.35 177.11 3i81 s LEU 1201N -2.82 4.24 0.65 1.79 1.43 -1.26 -5.02 118.68 117.69 3i81 s LEU 1201Ca 0.13 2.42 -0.15 0.00 -1.03 0.00 0.00 54.13 55.50 3i81 s LEU 1201Cb -0.01 -3.95 -0.00 0.00 0.03 0.00 0.00 46.19 42.26 3i81 s LEU 1201CO 0.02 -0.66 1.09 -1.81 0.23 0.00 0.00 176.35 175.22 3i81 s ASP 1202N -1.00 5.25 -0.06 2.29 1.01 -1.26 -4.97 116.67 117.93 3i81 s ASP 1202Ca 0.56 1.91 -0.30 0.00 0.71 0.00 0.00 52.55 55.43 3i81 s ASP 1202Cb -0.33 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.01 3i81 s ASP 1202CO 0.42 -1.53 1.57 -0.75 0.21 0.00 0.00 175.17 175.09 3i81 s LYS 1203N -4.22 4.20 0.73 8.23 2.20 -1.26 -4.97 119.74 124.65 3i81 s LYS 1203Ca 0.65 2.10 -0.15 0.00 -0.36 0.00 0.00 55.97 58.21 3i81 s LYS 1203Cb -0.19 -3.89 0.04 0.00 -1.51 0.00 0.00 37.83 32.29 3i81 s LYS 1203CO 0.42 -0.79 1.25 -2.14 -0.36 0.00 0.00 175.35 173.73 3i81 s PRO 1204N 3.71 2.05 0.16 4.03 0.02 -1.26 -4.93 135.00 138.78 3i81 s PRO 1204Ca 0.70 1.90 -0.32 0.00 0.02 0.00 0.00 61.00 63.31 3i81 s PRO 1204Cb -0.32 -1.81 -0.10 0.00 0.02 0.00 0.00 34.50 32.29 3i81 s PRO 1204CO 0.27 -1.94 1.60 -0.51 -0.33 0.00 0.00 177.00 176.09 3i81 s ASP 1205N -1.80 6.56 -0.04 2.53 1.01 -1.26 -2.33 116.67 121.34 3i81 s ASP 1205Ca 0.78 2.64 0.00 0.00 0.71 0.00 0.00 52.55 56.68 3i81 s ASP 1205Cb -0.33 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.01 3i81 s ASP 1205CO 0.46 -0.85 0.00 0.59 0.21 0.00 0.00 175.17 175.58 3i81 n ASN 1206N 4.12 -4.64 -4.67 0.27 3.02 -1.26 -4.99 115.26 107.11 3i81 n ASN 1206Ca 0.14 0.01 -0.43 0.00 -0.03 0.00 0.00 54.58 54.28 3i81 n ASN 1206Cb 0.38 -2.17 -0.02 0.00 -0.61 0.00 0.00 39.78 37.36 3i81 n ASN 1206CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i81 s PRO 1208N 2.76 3.97 0.55 0.00 0.02 -1.26 -4.87 135.00 136.17 3i81 s PRO 1208Ca 0.51 2.35 0.26 0.00 0.02 0.00 0.00 61.00 64.13 3i81 s PRO 1208Cb -0.20 -2.82 1.46 0.00 0.02 0.00 0.00 34.50 32.97 3i81 s PRO 1208CO 0.15 -0.56 2.02 -0.44 -0.33 0.00 0.00 177.00 177.83 3i81 h ASP 1209N 2.74 0.00 -0.32 2.53 5.19 -1.99 -1.85 116.42 122.72 3i81 h ASP 1209Ca -0.50 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.89 3i81 h ASP 1209Cb 1.25 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.74 3i81 h ASP 1209CO 0.63 0.00 0.15 -0.03 -3.12 0.00 0.00 179.24 176.87 3i81 h MET 1210N 0.00 0.47 -0.25 3.56 4.05 -1.99 -0.13 114.93 120.64 3i81 h MET 1210Ca 0.19 -0.07 -0.17 0.00 -0.28 0.00 0.00 59.70 59.36 3i81 h MET 1210Cb 0.84 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.55 3i81 h MET 1210CO -0.00 0.44 -0.54 1.25 0.23 0.00 0.00 176.91 178.29 3i81 h LEU 1211N 0.38 0.82 -0.78 3.39 5.85 -1.72 -3.04 115.31 120.20 3i81 h LEU 1211Ca 0.11 -0.43 -0.13 0.00 0.84 0.00 0.00 57.88 58.27 3i81 h LEU 1211Cb 0.14 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3i81 h LEU 1211CO -0.01 1.19 -0.55 0.15 -0.34 0.00 0.00 178.44 178.88 3i81 h PHE 1212N 0.57 0.21 -0.49 1.25 3.57 -1.39 -2.55 116.94 118.10 3i81 h PHE 1212Ca 0.01 -0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.37 3i81 h PHE 1212Cb 1.12 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.80 3i81 h PHE 1212CO 0.06 0.68 0.01 0.93 -2.23 0.00 0.00 178.31 177.76 3i81 h GLU 1213N 0.13 0.81 -0.58 1.11 3.07 -1.01 -0.98 114.58 117.14 3i81 h GLU 1213Ca -0.00 -0.22 -0.10 0.00 -0.50 0.00 0.00 59.36 58.55 3i81 h GLU 1213Cb 1.01 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.80 3i81 h GLU 1213CO 0.08 0.81 -0.01 1.25 -1.40 0.00 0.00 179.01 179.74 3i81 h LEU 1214N 0.76 0.99 -0.29 1.33 5.85 -1.41 -1.86 115.31 120.69 3i81 h LEU 1214Ca 0.15 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 3i81 h LEU 1214Cb 0.45 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3i81 h LEU 1214CO 0.02 1.05 0.13 0.24 -0.34 0.00 0.00 178.44 179.54 3i81 h MET 1215N 0.93 0.42 -0.66 1.25 2.86 -1.03 -2.46 114.93 116.24 3i81 h MET 1215Ca 0.16 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3i81 h MET 1215Cb 0.56 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 3i81 h MET 1215CO 0.03 0.42 0.41 0.00 1.06 0.00 0.00 176.91 178.82 3i81 h ARG 1216N 0.33 0.89 -0.47 1.72 3.08 -1.03 -0.21 114.38 118.69 3i81 h ARG 1216Ca 0.10 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3i81 h ARG 1216Cb 0.14 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3i81 h ARG 1216CO -0.01 0.62 0.20 0.52 -1.07 0.00 0.00 179.97 180.22 3i81 h MET 1217N 0.91 0.69 0.00 0.04 2.86 -1.13 -2.51 114.93 115.79 3i81 h MET 1217Ca 0.24 -0.12 -0.08 0.00 -2.06 0.00 0.00 59.70 57.68 3i81 h MET 1217Cb -0.05 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 3i81 h MET 1217CO -0.05 0.62 -0.36 0.00 1.06 0.00 0.00 176.91 178.18 3i81 n TRP 1219N -3.86 1.37 -2.07 0.00 8.01 -0.15 -3.85 117.44 116.90 3i81 n TRP 1219Ca -0.01 -0.48 -0.42 0.00 -1.31 0.00 0.00 57.50 55.28 3i81 n TRP 1219Cb 0.43 -0.35 -0.03 0.00 -2.01 0.00 0.00 31.31 29.35 3i81 n TRP 1219CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 3i81 s GLN 1220N -2.13 4.29 0.20 -0.99 -1.52 -1.13 -4.93 119.66 113.45 3i81 s GLN 1220Ca 0.37 2.22 -0.10 0.00 -1.95 0.00 0.00 55.36 55.90 3i81 s GLN 1220Cb 0.28 -3.17 0.23 0.00 -0.22 0.00 0.00 33.01 30.13 3i81 s GLN 1220CO 0.12 -0.45 1.78 -0.92 -0.25 0.00 0.00 175.29 175.57 3i81 h TYR 1221N 6.08 0.56 -3.05 0.91 5.03 -1.92 -3.40 116.97 121.19 3i81 h TYR 1221Ca -0.44 0.03 -0.57 0.00 2.58 0.00 0.00 58.73 60.33 3i81 h TYR 1221Cb 1.21 -0.16 -0.05 0.00 1.55 0.00 0.00 36.73 39.28 3i81 h TYR 1221CO 0.63 0.24 0.90 1.21 -1.32 0.00 0.00 178.16 179.82 3i81 s ASN 1222N -5.51 6.90 0.50 -2.11 3.84 -1.26 -4.87 114.94 112.43 3i81 s ASN 1222Ca -0.13 1.44 0.18 0.00 0.21 0.00 0.00 52.86 54.56 3i81 s ASN 1222Cb 0.16 -2.54 1.24 0.00 -0.55 0.00 0.00 41.25 39.56 3i81 s ASN 1222CO 0.75 -0.84 2.07 1.55 -2.79 0.00 0.00 177.10 177.84 3i81 h PRO 1223N 8.35 0.10 0.00 0.43 0.13 -1.95 -1.78 132.00 137.28 3i81 h PRO 1223Ca -0.24 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3i81 h PRO 1223Cb 1.09 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3i81 h PRO 1223CO 1.00 0.07 0.00 0.87 -0.23 0.00 0.00 178.00 179.70 3i81 h LYS 1224N 0.11 0.00 0.00 0.86 1.57 -1.93 -3.03 116.57 114.15 3i81 h LYS 1224Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3i81 h LYS 1224Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3i81 h LYS 1224CO -0.01 0.00 -0.46 -1.33 -0.57 0.00 0.00 179.45 177.07 3i81 n MET 1225N -3.08 0.15 -2.54 3.15 2.81 -0.67 -4.90 117.12 112.04 3i81 n MET 1225Ca 0.01 0.05 -0.38 0.00 -1.81 0.00 0.00 57.70 55.58 3i81 n MET 1225Cb 0.33 -1.60 -0.04 0.00 -0.71 0.00 0.00 33.22 31.19 3i81 n MET 1225CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3i81 s ARG 1226N -3.08 4.32 0.60 0.03 0.52 -1.15 -4.95 118.95 115.24 3i81 s ARG 1226Ca 0.09 1.58 -0.16 0.00 -0.52 0.00 0.00 55.73 56.73 3i81 s ARG 1226Cb 0.16 -2.74 -0.03 0.00 0.52 0.00 0.00 34.95 32.85 3i81 s ARG 1226CO 0.68 -0.02 1.06 -1.25 0.02 0.00 0.00 175.30 175.80 3i81 s PRO 1227N -2.16 3.26 0.80 3.54 0.04 -1.26 -5.04 135.00 134.18 3i81 s PRO 1227Ca 0.53 1.24 -0.12 0.00 0.04 0.00 0.00 61.00 62.70 3i81 s PRO 1227Cb -0.25 -2.02 0.07 0.00 0.04 0.00 0.00 34.50 32.34 3i81 s PRO 1227CO 0.31 -0.86 1.12 -1.54 0.04 0.00 0.00 177.00 176.07 3i81 s SER 1228N -2.73 4.49 0.37 6.66 1.04 -1.26 -4.86 113.70 117.41 3i81 s SER 1228Ca 0.64 1.11 0.05 0.00 0.48 0.00 0.00 55.95 58.24 3i81 s SER 1228Cb -0.17 -1.79 0.70 0.00 0.10 0.00 0.00 66.02 64.87 3i81 s SER 1228CO 0.37 -1.95 1.95 -0.26 0.98 0.00 0.00 173.24 174.33 3i81 h PHE 1229N -1.08 0.54 -0.64 5.02 0.04 -1.92 -1.19 116.94 117.71 3i81 h PHE 1229Ca -0.47 -0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.19 3i81 h PHE 1229Cb 1.29 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 39.25 3i81 h PHE 1229CO 0.41 0.45 0.07 -0.07 -0.60 0.00 0.00 178.31 178.57 3i81 h LEU 1230N 0.54 1.05 -0.91 1.54 3.38 -1.93 -2.16 115.31 116.82 3i81 h LEU 1230Ca 0.13 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 3i81 h LEU 1230Cb 0.16 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3i81 h LEU 1230CO -0.01 1.06 -0.16 -0.08 0.09 0.00 0.00 178.44 179.34 3i81 h GLU 1231N 1.01 0.61 -0.07 1.13 4.81 -1.75 -1.80 114.58 118.52 3i81 h GLU 1231Ca 0.19 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3i81 h GLU 1231Cb 0.48 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 3i81 h GLU 1231CO 0.02 0.75 0.01 0.82 -0.73 0.00 0.00 179.01 179.88 3i81 h ILE 1232N 0.55 1.22 -0.49 2.32 2.04 -0.95 -2.75 117.51 119.46 3i81 h ILE 1232Ca 0.09 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 65.28 3i81 h ILE 1232Cb 0.60 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 3i81 h ILE 1232CO 0.04 0.19 0.32 0.40 0.00 0.00 0.00 178.15 179.10 3i81 h ILE 1233N -0.12 1.11 -0.89 -0.67 2.04 -1.29 -2.87 117.51 114.83 3i81 h ILE 1233Ca 0.02 -0.22 0.12 0.00 1.00 0.00 0.00 64.86 65.78 3i81 h ILE 1233Cb 0.29 0.41 -0.08 0.00 -0.74 0.00 0.00 36.82 36.70 3i81 h ILE 1233CO 0.00 0.12 0.51 -1.28 0.00 0.00 0.00 178.15 177.50 3i81 h SER 1234N 0.65 0.72 1.22 1.72 0.87 -1.29 0.43 113.55 117.87 3i81 h SER 1234Ca 0.18 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 3i81 h SER 1234Cb -0.06 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 3i81 h SER 1234CO -0.05 0.37 -0.03 0.77 -0.53 0.00 0.00 176.83 177.37 3i81 h SER 1235N 0.81 0.00 -0.00 6.23 4.64 -1.26 -3.31 113.55 120.66 3i81 h SER 1235Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 3i81 h SER 1235Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3i81 h SER 1235CO -0.28 0.03 0.00 2.30 -0.87 0.00 0.00 176.83 178.00 3i81 n ILE 1236N -3.12 0.07 -0.15 0.95 -5.35 -0.60 -4.81 119.36 106.34 3i81 n ILE 1236Ca 0.01 -0.53 0.14 0.00 -0.27 0.00 0.00 62.75 62.10 3i81 n ILE 1236Cb 0.37 0.97 0.49 0.00 -1.74 0.00 0.00 39.64 39.73 3i81 n ILE 1236CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 3i81 h LYS 1237N 0.03 0.43 0.00 6.28 2.10 -0.27 -1.55 116.57 123.61 3i81 h LYS 1237Ca 0.00 -0.03 -0.05 0.00 -2.00 0.00 0.00 60.65 58.57 3i81 h LYS 1237Cb 0.04 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.27 3i81 h LYS 1237CO 0.00 0.29 -0.25 0.93 -2.00 0.00 0.00 179.45 178.42 3i81 h GLU 1238N 0.45 0.00 -0.00 0.07 3.07 -1.86 -2.96 114.58 113.35 3i81 h GLU 1238Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 3i81 h GLU 1238Cb 0.75 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.66 3i81 h GLU 1238CO -0.11 0.25 -0.46 0.39 -1.40 0.00 0.00 179.01 177.67 3i81 n GLU 1239N -3.86 0.36 -2.33 2.33 -0.58 -0.59 -4.94 120.64 111.03 3i81 n GLU 1239Ca -0.02 -0.23 -0.33 0.00 -0.42 0.00 0.00 57.16 56.16 3i81 n GLU 1239Cb 0.33 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.69 3i81 n GLU 1239CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 3i81 s MET 1240N -2.80 3.65 0.51 3.49 -1.94 -1.12 -4.78 119.30 116.31 3i81 s MET 1240Ca 0.16 1.22 -0.23 0.00 -1.71 0.00 0.00 55.69 55.13 3i81 s MET 1240Cb 0.18 -2.08 -0.06 0.00 2.01 0.00 0.00 34.83 34.88 3i81 s MET 1240CO 0.65 -0.54 1.38 0.39 -0.01 0.00 0.00 175.02 176.89 3i81 n GLU 1241N -1.49 1.88 -0.05 2.03 1.02 -1.26 -4.89 120.64 117.88 3i81 n GLU 1241Ca 0.08 0.68 0.24 0.00 -0.02 0.00 0.00 57.16 58.15 3i81 n GLU 1241Cb 0.53 -2.59 0.72 0.00 -0.02 0.00 0.00 31.44 30.08 3i81 n GLU 1241CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3i81 h PRO 1242N 1.72 0.00 0.00 3.49 0.11 -1.96 -1.16 132.00 134.20 3i81 h PRO 1242Ca -0.51 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 3i81 h PRO 1242Cb 1.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 3i81 h PRO 1242CO 0.58 0.00 -0.10 0.78 -0.21 0.00 0.00 178.00 179.05 3i81 h GLY 1243N 0.00 0.00 0.61 -0.55 0.00 -2.02 -3.11 103.07 97.99 3i81 h GLY 1243Ca 0.31 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.73 3i81 h GLY 1243CO -0.00 0.00 0.63 -2.75 0.00 0.00 0.00 176.54 174.42 3i81 h PHE 1244N 0.00 1.16 0.00 5.60 3.57 -1.56 -1.70 116.94 124.02 3i81 h PHE 1244Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3i81 h PHE 1244Cb 0.28 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.64 3i81 h PHE 1244CO 0.00 0.53 0.00 0.00 -2.23 0.00 0.00 178.31 176.61 3i81 h ARG 1245N 1.08 0.00 0.00 1.11 3.08 -1.74 -1.24 114.38 116.67 3i81 h ARG 1245Ca 0.46 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.41 3i81 h ARG 1245Cb 0.32 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3i81 h ARG 1245CO -0.22 0.00 -1.92 0.39 -1.07 0.00 0.00 179.97 177.15 3i81 n GLU 1246N -2.92 0.78 -0.05 0.04 1.02 -0.66 -4.73 120.64 114.13 3i81 n GLU 1246Ca -0.02 -0.11 -0.03 0.00 -0.02 0.00 0.00 57.16 56.97 3i81 n GLU 1246Cb 0.08 -1.43 -0.09 0.00 -0.02 0.00 0.00 31.44 29.99 3i81 n GLU 1246CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3i81 n VAL 1247N -2.28 0.61 -1.48 2.62 0.24 -1.06 -5.02 118.33 111.96 3i81 n VAL 1247Ca -0.11 -0.44 -0.33 0.00 -2.04 0.00 0.00 64.34 61.43 3i81 n VAL 1247Cb 0.65 -0.51 0.08 0.00 -1.47 0.00 0.00 33.84 32.60 3i81 n VAL 1247CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3i81 s SER 1248N -4.18 4.56 0.18 -1.34 1.04 -0.49 -4.37 113.70 109.11 3i81 s SER 1248Ca -0.05 2.07 -0.03 0.00 0.48 0.00 0.00 55.95 58.42 3i81 s SER 1248Cb 0.04 -2.56 0.09 0.00 0.10 0.00 0.00 66.02 63.70 3i81 s SER 1248CO 0.47 -2.00 1.47 0.15 0.98 0.00 0.00 173.24 174.32 3i81 h PHE 1249N -0.45 0.65 -0.77 5.02 3.57 -1.89 -3.10 116.94 119.97 3i81 h PHE 1249Ca -0.46 -0.25 0.14 0.00 3.53 0.00 0.00 57.97 60.93 3i81 h PHE 1249Cb 1.26 -0.11 -0.09 0.00 2.79 0.00 0.00 35.95 39.79 3i81 h PHE 1249CO 0.53 0.99 0.33 -0.92 -2.23 0.00 0.00 178.31 177.01 3i81 h TYR 1250N 0.37 0.57 -0.01 0.41 5.03 -1.93 -2.22 116.97 119.19 3i81 h TYR 1250Ca -0.01 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.34 3i81 h TYR 1250Cb 1.18 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 39.32 3i81 h TYR 1250CO 0.05 0.09 -0.30 0.66 -1.32 0.00 0.00 178.16 177.34 3i81 n TYR 1251N -4.97 0.00 -1.78 -3.82 4.01 -1.23 -4.82 117.16 104.55 3i81 n TYR 1251Ca 0.15 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.58 3i81 n TYR 1251Cb 0.42 -0.07 0.05 0.00 -0.31 0.00 0.00 39.34 39.42 3i81 n TYR 1251CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3i81 s SER 1252N -2.44 5.40 0.56 7.72 1.04 -0.83 -4.97 113.70 120.17 3i81 s SER 1252Ca 0.24 1.28 0.33 0.00 0.48 0.00 0.00 55.95 58.28 3i81 s SER 1252Cb 0.19 -2.13 1.56 0.00 0.10 0.00 0.00 66.02 65.74 3i81 s SER 1252CO 0.51 -1.39 2.07 1.05 0.98 0.00 0.00 173.24 176.46 3i81 h GLU 1253N -0.69 0.00 -0.28 4.02 4.11 -1.93 -2.95 114.58 116.87 3i81 h GLU 1253Ca -0.45 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.96 3i81 h GLU 1253Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 3i81 h GLU 1253CO 0.62 0.06 0.09 0.93 0.07 0.00 0.00 179.01 180.77 3i81 h GLU 1254N 0.00 0.39 -6.06 1.06 4.39 -1.93 -3.37 114.58 109.05 3i81 h GLU 1254Ca -0.00 -0.05 -0.58 0.00 0.34 0.00 0.00 59.36 59.07 3i81 h GLU 1254Cb 0.39 -0.07 -0.10 0.00 -0.10 0.00 0.00 28.75 28.87 3i81 h GLU 1254CO 0.01 0.35 1.13 1.21 -1.16 0.00 0.00 179.01 180.55 3i81 s ASN 1255N -6.80 6.31 0.00 1.42 2.47 -1.12 -5.14 114.94 112.09 3i81 s ASN 1255Ca -0.07 -0.98 0.00 0.00 0.42 0.00 0.00 52.86 52.23 3i81 s ASN 1255Cb 0.16 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.43 3i81 s ASN 1255CO 0.73 -1.62 0.00 2.29 -3.72 0.00 0.00 177.10 174.78