#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hf9 s ILE 3 N 0.00 2.80 0.01 12.58 -1.09 -0.49 -2.73 121.20 132.28 3hf9 s ILE 3 Ca 0.00 -1.23 0.02 0.00 -2.23 0.00 0.00 60.65 57.21 3hf9 s ILE 3 Cb 0.00 -2.20 -0.01 0.00 -1.58 0.00 0.00 42.46 38.67 3hf9 s ILE 3 CO 0.00 0.30 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.25 3hf9 s VAL 4 N -0.96 0.56 -0.05 2.92 1.01 -0.01 -1.85 120.40 122.02 3hf9 s VAL 4 Ca 0.15 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 3hf9 s VAL 4 Cb -0.10 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.77 3hf9 s VAL 4 CO 0.06 0.01 0.15 0.00 0.00 0.00 0.00 175.10 175.32 3hf9 s ALA 5 N -0.49 -0.36 -0.01 5.51 0.00 -0.44 -1.31 121.76 124.67 3hf9 s ALA 5 Ca -0.00 0.42 -0.11 0.00 0.00 0.00 0.00 51.96 52.26 3hf9 s ALA 5 Cb -0.05 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.84 3hf9 s ALA 5 CO 0.00 -0.07 0.23 -0.48 0.00 0.00 0.00 175.76 175.44 3hf9 s LEU 6 N 0.11 1.17 0.07 0.00 0.05 -0.58 -0.97 118.68 118.54 3hf9 s LEU 6 Ca -0.00 -0.05 -0.20 0.00 0.05 0.00 0.00 54.13 53.93 3hf9 s LEU 6 Cb -0.01 1.00 -0.07 0.00 -2.05 0.00 0.00 46.19 45.06 3hf9 s LEU 6 CO -0.00 -0.41 0.58 -0.54 -0.55 0.00 0.00 176.35 175.42 3hf9 s LYS 7 N -1.36 4.22 0.40 1.48 1.02 0.79 -1.43 119.74 124.85 3hf9 s LYS 7 Ca -0.14 0.75 0.04 0.00 0.02 0.00 0.00 55.97 56.64 3hf9 s LYS 7 Cb -0.06 -3.24 -0.05 0.00 -0.52 0.00 0.00 37.83 33.95 3hf9 s LYS 7 CO 0.03 0.63 0.05 1.52 -0.92 0.00 0.00 175.35 176.66 3hf9 s TYR 8 N -1.09 2.06 -0.26 3.18 -0.85 -0.12 -4.93 117.35 115.34 3hf9 s TYR 8 Ca 0.29 -0.94 -0.29 0.00 -0.52 0.00 0.00 57.07 55.61 3hf9 s TYR 8 Cb -0.20 -1.45 -0.03 0.00 0.38 0.00 0.00 41.96 40.66 3hf9 s TYR 8 CO 0.19 0.11 1.80 -2.14 -1.52 0.00 0.00 175.55 173.99 3hf9 s PRO 9 N -3.81 3.51 0.00 -3.49 0.02 -1.26 -2.06 135.00 127.91 3hf9 s PRO 9 Ca 0.28 1.65 0.00 0.00 0.02 0.00 0.00 61.00 62.95 3hf9 s PRO 9 Cb 0.07 -4.16 0.00 0.00 0.02 0.00 0.00 34.50 30.42 3hf9 s PRO 9 CO 0.14 -1.64 0.00 0.41 -0.33 0.00 0.00 177.00 175.57 3hf9 n GLY 10 N 5.16 0.50 1.53 0.52 0.00 0.54 -4.73 105.19 108.71 3hf9 n GLY 10 Ca 0.22 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.25 3hf9 n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hf9 n GLY 11 N -1.57 0.44 3.19 -0.02 0.00 -0.88 -4.33 105.19 102.01 3hf9 n GLY 11 Ca 0.00 -0.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.95 3hf9 n GLY 11 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hf9 s VAL 12 N -2.08 1.07 0.05 1.61 -7.23 -0.90 -0.95 120.40 111.98 3hf9 s VAL 12 Ca 0.12 -1.56 0.07 0.00 -1.81 0.00 0.00 61.98 58.80 3hf9 s VAL 12 Cb -0.00 -1.31 -0.03 0.00 0.56 0.00 0.00 36.38 35.60 3hf9 s VAL 12 CO -0.00 -0.43 -0.21 0.54 -0.31 0.00 0.00 175.10 174.68 3hf9 s VAL 13 N -2.04 1.69 -0.01 1.32 0.11 -0.52 -1.47 120.40 119.48 3hf9 s VAL 13 Ca 0.04 -1.24 0.02 0.00 -2.93 0.00 0.00 61.98 57.86 3hf9 s VAL 13 Cb -0.05 -1.47 0.00 0.00 -1.53 0.00 0.00 36.38 33.32 3hf9 s VAL 13 CO 0.01 0.18 -0.05 -0.32 -3.33 0.00 0.00 175.10 171.60 3hf9 s MET 14 N -1.26 0.52 0.02 1.54 1.75 0.01 -1.52 119.30 120.36 3hf9 s MET 14 Ca 0.07 -0.16 -0.02 0.00 -1.25 0.00 0.00 55.69 54.33 3hf9 s MET 14 Cb -0.09 -0.52 -0.02 0.00 2.84 0.00 0.00 34.83 37.04 3hf9 s MET 14 CO 0.02 0.06 0.02 0.00 -0.65 0.00 0.00 175.02 174.48 3hf9 s ALA 15 N 0.16 0.05 -0.15 4.11 0.00 -0.43 0.04 121.76 125.54 3hf9 s ALA 15 Ca -0.02 -0.56 -0.15 0.00 0.00 0.00 0.00 51.96 51.23 3hf9 s ALA 15 Cb -0.06 0.17 0.04 0.00 0.00 0.00 0.00 23.12 23.28 3hf9 s ALA 15 CO -0.00 -0.22 0.42 0.20 0.00 0.00 0.00 175.76 176.17 3hf9 s GLY 16 N -1.70 -0.31 1.25 0.00 0.00 -0.66 -0.83 107.32 105.06 3hf9 s GLY 16 Ca -0.12 1.15 -0.18 0.00 0.00 0.00 0.00 44.72 45.57 3hf9 s GLY 16 CO -0.02 0.98 1.03 0.51 0.00 0.00 0.00 173.10 175.59 3hf9 s ASP 17 N 0.09 0.44 0.00 1.64 3.84 -1.11 -1.72 116.67 119.86 3hf9 s ASP 17 Ca -0.01 0.96 0.06 0.00 -0.00 0.00 0.00 52.55 53.55 3hf9 s ASP 17 Cb -0.03 -1.42 0.03 0.00 -1.38 0.00 0.00 42.92 40.13 3hf9 s ASP 17 CO 0.01 -4.45 0.62 0.54 -0.00 0.00 0.00 175.17 171.88 3hf9 n ARG 18 N -5.03 0.69 -1.86 2.11 5.12 -1.26 -4.54 116.66 111.89 3hf9 n ARG 18 Ca 0.10 -0.73 -0.31 0.00 -1.93 0.00 0.00 57.85 54.98 3hf9 n ARG 18 Cb 0.58 -1.06 0.01 0.00 -1.16 0.00 0.00 32.46 30.84 3hf9 n ARG 18 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3hf9 s ARG 19 N -0.66 3.57 -0.20 5.56 6.06 -1.26 -1.35 118.95 130.67 3hf9 s ARG 19 Ca 0.06 0.76 -0.17 0.00 -2.50 0.00 0.00 55.73 53.89 3hf9 s ARG 19 Cb 0.05 -2.08 0.06 0.00 0.06 0.00 0.00 34.95 33.04 3hf9 s ARG 19 CO 0.10 -0.59 0.53 -1.54 -2.50 0.00 0.00 175.30 171.29 3hf9 s SER 20 N -4.16 -0.59 0.18 -2.12 1.04 -0.92 -4.83 113.70 102.30 3hf9 s SER 20 Ca 0.55 1.09 0.10 0.00 0.48 0.00 0.00 55.95 58.17 3hf9 s SER 20 Cb -0.11 1.07 -0.04 0.00 0.10 0.00 0.00 66.02 67.03 3hf9 s SER 20 CO 0.54 -0.19 -0.16 0.42 0.98 0.00 0.00 173.24 174.83 3hf9 s THR 21 N 0.64 2.85 -0.59 2.02 -4.23 -1.26 -0.69 115.64 114.37 3hf9 s THR 21 Ca -0.03 -1.79 0.03 0.00 -1.18 0.00 0.00 61.69 58.72 3hf9 s THR 21 Cb -0.05 -2.39 0.15 0.00 1.34 0.00 0.00 72.50 71.55 3hf9 s THR 21 CO -0.04 -0.10 0.36 -1.58 -0.54 0.00 0.00 174.62 172.72 3hf9 s GLN 22 N -2.73 2.25 7.38 3.99 0.74 -0.03 -4.83 119.66 126.44 3hf9 s GLN 22 Ca 0.23 -2.77 0.00 0.00 0.05 0.00 0.00 55.36 52.87 3hf9 s GLN 22 Cb -0.09 -3.45 0.00 0.00 1.10 0.00 0.00 33.01 30.57 3hf9 s GLN 22 CO 0.13 -1.16 0.00 0.41 -0.55 0.00 0.00 175.29 174.12 3hf9 n GLY 23 N 2.94 2.26 0.07 2.59 0.00 -1.26 -2.94 105.19 108.85 3hf9 n GLY 23 Ca 0.09 -0.32 0.01 0.00 0.00 0.00 0.00 46.02 45.80 3hf9 n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hf9 n ASN 24 N 9.40 0.34 -4.75 1.61 3.02 -1.26 -4.94 115.26 118.68 3hf9 n ASN 24 Ca 0.00 0.15 -0.41 0.00 -0.03 0.00 0.00 54.58 54.29 3hf9 n ASN 24 Cb 0.00 0.97 -0.03 0.00 -0.61 0.00 0.00 39.78 40.11 3hf9 n ASN 24 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3hf9 s MET 25 N -2.98 4.43 -0.38 3.52 -1.94 -1.15 -4.98 119.30 115.81 3hf9 s MET 25 Ca -0.06 2.06 -0.26 0.00 -1.71 0.00 0.00 55.69 55.71 3hf9 s MET 25 Cb 0.09 -3.15 0.02 0.00 2.01 0.00 0.00 34.83 33.80 3hf9 s MET 25 CO 0.84 -0.13 0.95 0.42 -0.01 0.00 0.00 175.02 177.09 3hf9 s ILE 26 N -0.59 4.55 -0.83 2.53 1.01 -1.26 -0.85 121.20 125.76 3hf9 s ILE 26 Ca 0.51 1.21 0.19 0.00 0.00 0.00 0.00 60.65 62.56 3hf9 s ILE 26 Cb -0.37 -4.37 -0.21 0.00 0.01 0.00 0.00 42.46 37.53 3hf9 s ILE 26 CO 0.44 -0.58 0.77 -1.54 0.00 0.00 0.00 174.94 174.03 3hf9 n SER 27 N 6.88 0.87 -3.65 3.58 3.41 0.13 -4.93 113.62 119.90 3hf9 n SER 27 Ca 0.08 -0.87 -0.14 0.00 -0.26 0.00 0.00 58.87 57.67 3hf9 n SER 27 Cb 0.48 1.07 -0.08 0.00 -0.26 0.00 0.00 64.21 65.42 3hf9 n SER 27 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3hf9 s GLY 28 N -2.90 -0.43 0.00 5.00 0.00 -0.65 -4.93 107.32 103.41 3hf9 s GLY 28 Ca 0.06 1.42 0.01 0.00 0.00 0.00 0.00 44.72 46.22 3hf9 s GLY 28 CO 0.78 1.17 0.44 0.54 0.00 0.00 0.00 173.10 176.03 3hf9 n ARG 29 N 2.20 0.83 0.00 2.90 1.74 -1.26 -2.15 116.66 120.92 3hf9 n ARG 29 Ca -0.16 -0.45 0.03 0.00 -0.77 0.00 0.00 57.85 56.50 3hf9 n ARG 29 Cb 0.56 -0.92 0.02 0.00 -1.02 0.00 0.00 32.46 31.10 3hf9 n ARG 29 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3hf9 n ASP 30 N -0.17 1.34 -4.67 0.55 5.68 -1.13 -4.56 116.55 113.59 3hf9 n ASP 30 Ca 0.01 -1.17 -0.42 0.00 -0.50 0.00 0.00 54.79 52.70 3hf9 n ASP 30 Cb 0.03 0.16 -0.03 0.00 -1.14 0.00 0.00 41.12 40.14 3hf9 n ASP 30 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3hf9 s VAL 31 N -0.71 2.91 -0.25 2.12 1.01 -0.45 -4.98 120.40 120.05 3hf9 s VAL 31 Ca 0.07 0.15 -0.19 0.00 0.00 0.00 0.00 61.98 62.01 3hf9 s VAL 31 Cb 0.05 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 3hf9 s VAL 31 CO 0.11 -0.01 0.58 -0.13 0.00 0.00 0.00 175.10 175.64 3hf9 s ARG 32 N 3.62 4.10 -0.01 2.72 0.52 -1.26 -4.23 118.95 124.41 3hf9 s ARG 32 Ca 0.83 0.45 0.11 0.00 -0.52 0.00 0.00 55.73 56.60 3hf9 s ARG 32 Cb -0.43 -3.64 -0.16 0.00 0.52 0.00 0.00 34.95 31.25 3hf9 s ARG 32 CO 0.38 -0.36 0.31 1.63 0.02 0.00 0.00 175.30 177.27 3hf9 n LYS 33 N 5.55 1.26 -4.18 3.54 5.02 -1.26 -4.74 118.16 123.35 3hf9 n LYS 33 Ca -0.02 -0.07 -0.34 0.00 -2.02 0.00 0.00 58.31 55.85 3hf9 n LYS 33 Cb 0.49 -1.19 -0.12 0.00 -0.02 0.00 0.00 35.03 34.19 3hf9 n LYS 33 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hf9 s VAL 34 N -2.55 4.09 0.10 -0.18 1.01 -1.26 -2.65 120.40 118.95 3hf9 s VAL 34 Ca -0.02 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 61.72 3hf9 s VAL 34 Cb 0.07 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 3hf9 s VAL 34 CO 0.46 0.45 -0.10 -0.31 0.00 0.00 0.00 175.10 175.61 3hf9 s TYR 35 N 0.67 1.06 -0.48 5.22 1.51 -0.51 -4.97 117.35 119.85 3hf9 s TYR 35 Ca -0.00 -0.67 -0.20 0.00 -1.01 0.00 0.00 57.07 55.19 3hf9 s TYR 35 Cb -0.14 -0.58 0.04 0.00 -0.11 0.00 0.00 41.96 41.17 3hf9 s TYR 35 CO 0.02 -0.00 0.62 0.42 -1.11 0.00 0.00 175.55 175.50 3hf9 s ILE 36 N -2.56 4.86 0.21 2.71 1.01 -1.26 -0.84 121.20 125.33 3hf9 s ILE 36 Ca 0.06 -0.24 -0.06 0.00 0.00 0.00 0.00 60.65 60.41 3hf9 s ILE 36 Cb -0.02 -4.25 0.06 0.00 0.01 0.00 0.00 42.46 38.26 3hf9 s ILE 36 CO -0.00 -0.71 1.65 0.71 0.00 0.00 0.00 174.94 176.59 3hf9 h THR 37 N 5.86 1.26 -2.09 2.92 1.35 -1.63 -3.48 112.91 117.10 3hf9 h THR 37 Ca -0.27 -1.22 -0.01 0.00 -0.55 0.00 0.00 66.41 64.37 3hf9 h THR 37 Cb 1.10 0.99 -0.00 0.00 -1.73 0.00 0.00 68.15 68.50 3hf9 h THR 37 CO 0.93 0.42 0.01 -0.90 -0.25 0.00 0.00 175.52 175.73 3hf9 n ASP 38 N -4.15 -0.15 -0.32 5.36 5.68 -1.09 -4.31 116.55 117.57 3hf9 n ASP 38 Ca 0.02 -1.12 -0.00 0.00 -0.50 0.00 0.00 54.79 53.18 3hf9 n ASP 38 Cb 0.38 0.26 0.17 0.00 -1.14 0.00 0.00 41.12 40.79 3hf9 n ASP 38 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3hf9 h ASP 39 N 0.15 1.04 -0.24 -1.12 3.32 -1.95 -3.19 116.42 114.42 3hf9 h ASP 39 Ca -0.02 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3hf9 h ASP 39 Cb 0.09 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.39 3hf9 h ASP 39 CO 0.03 0.74 0.00 -1.22 -1.72 0.00 0.00 179.24 177.07 3hf9 n TYR 40 N -4.41 0.45 -4.05 4.55 4.02 -1.26 -0.98 117.16 115.49 3hf9 n TYR 40 Ca 0.11 -0.61 -0.08 0.00 -0.01 0.00 0.00 57.90 57.31 3hf9 n TYR 40 Cb 0.04 -0.10 -0.10 0.00 -0.02 0.00 0.00 39.34 39.16 3hf9 n TYR 40 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3hf9 s THR 41 N -1.51 0.18 -0.01 -0.72 -4.23 -1.20 -1.25 115.64 106.89 3hf9 s THR 41 Ca 0.23 -1.52 -0.10 0.00 -1.18 0.00 0.00 61.69 59.12 3hf9 s THR 41 Cb 0.16 -1.16 0.01 0.00 1.34 0.00 0.00 72.50 72.85 3hf9 s THR 41 CO 0.11 -0.84 0.20 0.00 -0.54 0.00 0.00 174.62 173.55 3hf9 s ALA 42 N -3.21 -0.50 -0.02 3.99 0.00 0.04 -1.60 121.76 120.47 3hf9 s ALA 42 Ca 0.00 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.11 3hf9 s ALA 42 Cb 0.03 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 3hf9 s ALA 42 CO -0.07 -0.21 -0.17 0.95 0.00 0.00 0.00 175.76 176.25 3hf9 s THR 43 N -1.21 1.36 -0.03 0.00 -4.23 -0.02 -0.97 115.64 110.54 3hf9 s THR 43 Ca -0.13 -0.73 0.07 0.00 -1.18 0.00 0.00 61.69 59.73 3hf9 s THR 43 Cb -0.06 -1.14 -0.02 0.00 1.34 0.00 0.00 72.50 72.62 3hf9 s THR 43 CO 0.02 0.39 -0.25 -0.83 -0.54 0.00 0.00 174.62 173.41 3hf9 s GLY 44 N -0.31 1.23 -0.05 3.99 0.00 -0.58 -1.43 107.32 110.17 3hf9 s GLY 44 Ca 0.05 -1.05 0.05 0.00 0.00 0.00 0.00 44.72 43.76 3hf9 s GLY 44 CO -0.00 -0.80 -0.21 -0.42 0.00 0.00 0.00 173.10 171.67 3hf9 s ILE 45 N -0.43 1.73 -1.45 0.90 1.09 -1.09 -1.17 121.20 120.78 3hf9 s ILE 45 Ca 0.05 -0.89 -0.09 0.00 -1.10 0.00 0.00 60.65 58.62 3hf9 s ILE 45 Cb -0.11 -1.48 0.04 0.00 -1.06 0.00 0.00 42.46 39.85 3hf9 s ILE 45 CO 0.01 0.49 2.48 0.00 -0.10 0.00 0.00 174.94 177.81 3hf9 n ALA 46 N 3.07 6.59 -3.00 9.38 0.00 -1.26 -4.81 120.51 130.47 3hf9 n ALA 46 Ca -0.18 -3.88 0.00 0.00 0.00 0.00 0.00 53.44 49.38 3hf9 n ALA 46 Cb 0.52 -3.18 0.00 0.00 0.00 0.00 0.00 19.45 16.79 3hf9 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hf9 n GLY 47 N 3.05 4.88 3.77 0.00 0.00 -1.26 -4.91 105.19 110.72 3hf9 n GLY 47 Ca 0.62 -1.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 3hf9 n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hf9 s THR 48 N -1.25 3.30 0.26 2.61 -4.23 -1.26 -4.80 115.64 110.26 3hf9 s THR 48 Ca 0.00 0.42 -0.02 0.00 -1.18 0.00 0.00 61.69 60.92 3hf9 s THR 48 Cb 0.00 -2.96 0.24 0.00 1.34 0.00 0.00 72.50 71.12 3hf9 s THR 48 CO 0.00 -0.55 1.75 0.00 -0.54 0.00 0.00 174.62 175.28 3hf9 h ALA 49 N -1.14 1.23 -0.25 3.99 0.00 -1.96 -2.41 119.26 118.72 3hf9 h ALA 49 Ca -0.45 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.41 3hf9 h ALA 49 Cb 1.24 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3hf9 h ALA 49 CO 0.53 -0.14 -0.44 0.00 0.00 0.00 0.00 179.25 179.21 3hf9 h ALA 50 N 1.56 0.39 -0.71 0.00 0.00 -1.93 -2.90 119.26 115.68 3hf9 h ALA 50 Ca 0.45 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hf9 h ALA 50 Cb 0.67 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3hf9 h ALA 50 CO -0.38 0.52 0.39 0.28 0.00 0.00 0.00 179.25 180.06 3hf9 h VAL 51 N 0.48 1.22 -0.67 0.00 2.07 -1.86 0.63 116.25 118.12 3hf9 h VAL 51 Ca 0.02 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 3hf9 h VAL 51 Cb 1.04 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3hf9 h VAL 51 CO 0.10 0.24 0.38 0.00 0.02 0.00 0.00 177.57 178.31 3hf9 h ALA 52 N 1.20 0.86 0.14 1.67 0.00 -1.37 -2.49 119.26 119.27 3hf9 h ALA 52 Ca 0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3hf9 h ALA 52 Cb 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3hf9 h ALA 52 CO -0.04 0.37 -0.07 0.28 0.00 0.00 0.00 179.25 179.79 3hf9 h VAL 53 N 0.92 0.83 -0.50 0.00 2.07 -1.30 -2.66 116.25 115.62 3hf9 h VAL 53 Ca 0.24 -1.21 0.07 0.00 0.82 0.00 0.00 66.70 66.62 3hf9 h VAL 53 Cb 0.02 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3hf9 h VAL 53 CO -0.04 0.23 0.34 -0.33 0.02 0.00 0.00 177.57 177.78 3hf9 h GLU 54 N -0.89 0.37 0.05 1.57 4.39 -0.90 0.58 114.58 119.74 3hf9 h GLU 54 Ca -0.02 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 3hf9 h GLU 54 Cb 0.52 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3hf9 h GLU 54 CO 0.03 0.24 -0.02 0.35 -1.16 0.00 0.00 179.01 178.45 3hf9 h PHE 55 N 0.38 -0.06 -0.15 4.33 3.04 -1.52 -2.20 116.94 120.76 3hf9 h PHE 55 Ca 0.22 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.21 3hf9 h PHE 55 Cb 0.39 0.02 -0.04 0.00 2.56 0.00 0.00 35.95 38.88 3hf9 h PHE 55 CO -0.00 0.56 -0.09 0.00 -2.02 0.00 0.00 178.31 176.77 3hf9 h ALA 56 N 0.01 0.04 -0.59 2.41 0.00 -0.85 -0.78 119.26 119.49 3hf9 h ALA 56 Ca -0.01 0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.08 3hf9 h ALA 56 Cb 0.65 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 18.53 3hf9 h ALA 56 CO 0.01 -0.53 -0.21 -0.09 0.00 0.00 0.00 179.25 178.43 3hf9 h ARG 57 N -0.08 -0.06 -0.30 0.00 2.43 0.05 0.67 114.38 117.09 3hf9 h ARG 57 Ca 0.09 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3hf9 h ARG 57 Cb 0.21 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3hf9 h ARG 57 CO -0.20 -0.04 0.18 1.25 -1.51 0.00 0.00 179.97 179.66 3hf9 h LEU 58 N -0.06 0.35 -0.52 3.80 5.85 -0.97 -1.83 115.31 121.93 3hf9 h LEU 58 Ca 0.27 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 3hf9 h LEU 58 Cb 0.49 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3hf9 h LEU 58 CO -0.64 0.29 0.28 0.22 -0.34 0.00 0.00 178.44 178.25 3hf9 h TYR 59 N 0.39 0.72 -0.64 1.25 3.20 0.09 -1.88 116.97 120.10 3hf9 h TYR 59 Ca 0.11 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 3hf9 h TYR 59 Cb -0.00 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.01 3hf9 h TYR 59 CO -0.05 0.54 0.22 0.00 -1.64 0.00 0.00 178.16 177.24 3hf9 h ALA 60 N 1.12 0.83 -0.47 1.82 0.00 -0.73 -1.02 119.26 120.81 3hf9 h ALA 60 Ca 0.18 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3hf9 h ALA 60 Cb 0.06 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3hf9 h ALA 60 CO -0.03 0.48 0.25 0.28 0.00 0.00 0.00 179.25 180.23 3hf9 h VAL 61 N 0.91 0.99 -0.02 0.00 2.07 -1.00 -1.33 116.25 117.87 3hf9 h VAL 61 Ca 0.21 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.58 3hf9 h VAL 61 Cb 0.25 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3hf9 h VAL 61 CO -0.01 0.09 -0.14 -0.33 0.02 0.00 0.00 177.57 177.20 3hf9 h GLU 62 N 0.50 -0.22 -0.08 1.57 5.08 -0.48 0.28 114.58 121.22 3hf9 h GLU 62 Ca 0.20 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.61 3hf9 h GLU 62 Cb 0.08 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 3hf9 h GLU 62 CO -0.12 -0.15 -0.23 -0.07 -1.00 0.00 0.00 179.01 177.44 3hf9 h LEU 63 N -0.23 -0.70 -0.34 1.33 3.38 -1.09 -1.01 115.31 116.65 3hf9 h LEU 63 Ca 0.05 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 3hf9 h LEU 63 Cb 0.30 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3hf9 h LEU 63 CO -0.15 -0.29 -0.00 -0.08 0.09 0.00 0.00 178.44 178.01 3hf9 h GLU 64 N -0.32 0.60 -0.63 1.13 4.81 -1.17 -2.26 114.58 116.73 3hf9 h GLU 64 Ca 0.09 -0.19 0.13 0.00 -0.13 0.00 0.00 59.36 59.26 3hf9 h GLU 64 Cb 0.44 -0.05 -0.11 0.00 0.63 0.00 0.00 28.75 29.66 3hf9 h GLU 64 CO -0.27 0.72 -0.07 1.25 -0.73 0.00 0.00 179.01 179.92 3hf9 h HIS 65 N 0.40 -0.17 -0.27 0.92 2.76 -0.77 0.63 115.15 118.65 3hf9 h HIS 65 Ca 0.10 0.05 0.02 0.00 -2.20 0.00 0.00 60.37 58.34 3hf9 h HIS 65 Cb 0.45 0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.56 3hf9 h HIS 65 CO 0.04 -0.22 0.12 -0.92 -1.30 0.00 0.00 177.93 175.65 3hf9 h TYR 66 N 0.06 0.22 -1.01 5.26 3.20 -0.83 -1.74 116.97 122.13 3hf9 h TYR 66 Ca 0.32 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.22 3hf9 h TYR 66 Cb 0.52 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.68 3hf9 h TYR 66 CO -0.43 0.12 0.67 1.49 -1.64 0.00 0.00 178.16 178.36 3hf9 h GLU 67 N 0.26 1.31 -0.54 1.82 4.81 -0.48 0.11 114.58 121.87 3hf9 h GLU 67 Ca 0.12 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.16 3hf9 h GLU 67 Cb 0.05 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.12 3hf9 h GLU 67 CO -0.09 0.86 -0.08 0.87 -0.73 0.00 0.00 179.01 179.84 3hf9 h LYS 68 N 1.35 0.99 -0.48 1.92 1.57 -0.68 0.79 116.57 122.03 3hf9 h LYS 68 Ca 0.38 -0.35 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 3hf9 h LYS 68 Cb -0.12 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 3hf9 h LYS 68 CO -0.09 1.02 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.57 3hf9 h LEU 69 N 0.89 0.99 -0.63 2.94 3.38 -0.79 -3.34 115.31 118.74 3hf9 h LEU 69 Ca 0.15 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3hf9 h LEU 69 Cb 0.63 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3hf9 h LEU 69 CO 0.04 1.15 -0.35 -0.62 0.09 0.00 0.00 178.44 178.75 3hf9 n GLU 70 N -4.16 2.10 0.00 1.13 -0.58 -0.02 -4.98 120.64 114.13 3hf9 n GLU 70 Ca 0.00 -0.55 0.00 0.00 -0.42 0.00 0.00 57.16 56.20 3hf9 n GLU 70 Cb 0.43 -1.16 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 3hf9 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hf9 n GLY 71 N 1.09 2.90 3.31 0.62 0.00 0.26 -4.98 105.19 108.40 3hf9 n GLY 71 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 3hf9 n GLY 71 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hf9 s VAL 72 N -1.67 1.23 0.59 1.61 -7.23 -1.24 -4.95 120.40 108.74 3hf9 s VAL 72 Ca 0.00 -2.08 -0.16 0.00 -1.81 0.00 0.00 61.98 57.93 3hf9 s VAL 72 Cb 0.00 -2.12 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 3hf9 s VAL 72 CO 0.00 -0.52 1.06 -2.84 -0.31 0.00 0.00 175.10 172.48 3hf9 s PRO 73 N -3.78 3.33 0.73 4.82 0.02 -1.26 -3.96 135.00 134.91 3hf9 s PRO 73 Ca 0.23 1.22 -0.15 0.00 0.02 0.00 0.00 61.00 62.32 3hf9 s PRO 73 Cb 0.03 -2.03 0.04 0.00 0.02 0.00 0.00 34.50 32.56 3hf9 s PRO 73 CO 0.05 -0.80 1.22 -0.51 -0.33 0.00 0.00 177.00 176.63 3hf9 s LEU 74 N -4.44 3.32 0.97 -5.54 1.43 -1.26 -5.01 118.68 108.14 3hf9 s LEU 74 Ca 0.64 2.40 -0.12 0.00 -1.03 0.00 0.00 54.13 56.02 3hf9 s LEU 74 Cb -0.16 -4.59 0.17 0.00 0.03 0.00 0.00 46.19 41.63 3hf9 s LEU 74 CO 0.36 -2.30 1.09 0.42 0.23 0.00 0.00 176.35 176.14 3hf9 s THR 75 N -1.93 2.38 0.18 5.49 -4.23 -1.26 -4.68 115.64 111.58 3hf9 s THR 75 Ca 0.75 0.12 -0.13 0.00 -1.18 0.00 0.00 61.69 61.25 3hf9 s THR 75 Cb -0.30 -2.50 0.08 0.00 1.34 0.00 0.00 72.50 71.12 3hf9 s THR 75 CO 0.45 -0.16 1.81 0.15 -0.54 0.00 0.00 174.62 176.33 3hf9 h PHE 76 N -1.84 0.56 -0.82 3.99 3.57 -1.96 -0.54 116.94 119.90 3hf9 h PHE 76 Ca -0.52 0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.19 3hf9 h PHE 76 Cb 1.30 -0.18 -0.12 0.00 2.79 0.00 0.00 35.95 39.75 3hf9 h PHE 76 CO 0.37 0.31 0.28 0.00 -2.23 0.00 0.00 178.31 177.04 3hf9 h ALA 77 N 1.25 1.19 -0.09 2.41 0.00 -1.99 -0.60 119.26 121.43 3hf9 h ALA 77 Ca 0.22 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 3hf9 h ALA 77 Cb 0.06 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3hf9 h ALA 77 CO -0.11 -0.33 0.04 0.78 0.00 0.00 0.00 179.25 179.62 3hf9 h GLY 78 N 0.34 0.14 -0.02 0.00 0.00 -1.49 0.45 103.07 102.48 3hf9 h GLY 78 Ca 0.49 -0.07 0.12 0.00 0.00 0.00 0.00 47.33 47.87 3hf9 h GLY 78 CO -0.52 0.06 -0.01 0.50 0.00 0.00 0.00 176.54 176.57 3hf9 h LYS 79 N 0.02 0.11 -0.72 4.80 1.57 -0.21 -0.81 116.57 121.33 3hf9 h LYS 79 Ca 0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3hf9 h LYS 79 Cb 0.12 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 3hf9 h LYS 79 CO -0.00 0.07 0.45 0.82 -0.57 0.00 0.00 179.45 180.22 3hf9 h ILE 80 N 0.11 1.20 0.47 1.86 2.04 -0.76 -2.29 117.51 120.13 3hf9 h ILE 80 Ca 0.31 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3hf9 h ILE 80 Cb 0.49 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3hf9 h ILE 80 CO -0.51 0.20 -0.29 -1.13 0.00 0.00 0.00 178.15 176.41 3hf9 h ASN 81 N 0.98 -0.74 -0.94 1.72 -1.24 0.46 0.11 115.58 115.93 3hf9 h ASN 81 Ca 0.26 0.05 0.11 0.00 0.71 0.00 0.00 56.30 57.43 3hf9 h ASN 81 Cb -0.07 0.22 -0.08 0.00 0.73 0.00 0.00 38.32 39.12 3hf9 h ASN 81 CO -0.05 -0.46 0.57 0.03 -1.29 0.00 0.00 177.43 176.22 3hf9 h ARG 82 N -0.73 0.88 0.58 6.67 2.47 -1.25 -0.15 114.38 122.85 3hf9 h ARG 82 Ca -0.05 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.59 3hf9 h ARG 82 Cb 0.60 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 28.72 3hf9 h ARG 82 CO 0.05 0.58 -0.34 1.25 0.56 0.00 0.00 179.97 182.07 3hf9 h LEU 83 N 0.91 -0.86 -0.85 3.04 6.46 -0.88 -0.98 115.31 122.15 3hf9 h LEU 83 Ca 0.46 0.05 0.09 0.00 -0.12 0.00 0.00 57.88 58.36 3hf9 h LEU 83 Cb 0.46 0.25 -0.07 0.00 -0.73 0.00 0.00 40.66 40.56 3hf9 h LEU 83 CO -0.27 -0.55 0.50 0.00 -0.62 0.00 0.00 178.44 177.51 3hf9 h ALA 84 N -0.51 1.21 -0.40 1.25 0.00 0.08 0.10 119.26 121.00 3hf9 h ALA 84 Ca -0.07 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hf9 h ALA 84 Cb 0.70 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3hf9 h ALA 84 CO 0.08 0.14 0.24 0.82 0.00 0.00 0.00 179.25 180.53 3hf9 h ILE 85 N 0.84 1.05 -0.64 0.00 2.04 -0.84 0.74 117.51 120.71 3hf9 h ILE 85 Ca 0.40 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 66.09 3hf9 h ILE 85 Cb 0.35 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 3hf9 h ILE 85 CO -0.24 0.09 0.37 -0.03 0.00 0.00 0.00 178.15 178.34 3hf9 h MET 86 N 0.48 0.87 0.56 2.37 4.05 0.14 0.31 114.93 123.72 3hf9 h MET 86 Ca 0.16 -0.09 -0.03 0.00 -0.28 0.00 0.00 59.70 59.46 3hf9 h MET 86 Cb 0.00 -0.18 0.01 0.00 -0.80 0.00 0.00 31.60 30.63 3hf9 h MET 86 CO -0.07 0.64 -0.27 0.28 0.23 0.00 0.00 176.91 177.72 3hf9 h VAL 87 N 0.86 0.43 -0.58 -5.77 2.07 -0.33 -2.59 116.25 110.35 3hf9 h VAL 87 Ca 0.23 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.75 3hf9 h VAL 87 Cb -0.00 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 3hf9 h VAL 87 CO -0.04 0.01 0.39 0.03 0.02 0.00 0.00 177.57 177.99 3hf9 h ARG 88 N -0.81 0.36 -0.65 1.57 3.08 -0.81 -1.60 114.38 115.50 3hf9 h ARG 88 Ca -0.08 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 3hf9 h ARG 88 Cb 0.60 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 3hf9 h ARG 88 CO 0.13 0.24 0.41 0.78 -1.07 0.00 0.00 179.97 180.45 3hf9 h GLY 89 N 0.37 0.93 1.40 0.04 0.00 -0.56 -2.07 103.07 103.18 3hf9 h GLY 89 Ca 0.27 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3hf9 h GLY 89 CO -0.07 0.36 -0.56 3.43 0.00 0.00 0.00 176.54 179.70 3hf9 h ASN 90 N 0.89 0.00 1.29 0.19 2.35 -0.94 -3.21 115.58 116.16 3hf9 h ASN 90 Ca 0.24 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3hf9 h ASN 90 Cb -0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.31 3hf9 h ASN 90 CO -0.05 0.02 -0.71 -0.07 -1.65 0.00 0.00 177.43 174.97 3hf9 h LEU 91 N 0.00 0.00 0.00 1.61 3.38 -1.25 -3.24 115.31 115.81 3hf9 h LEU 91 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hf9 h LEU 91 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3hf9 h LEU 91 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3hf9 n ALA 92 N -2.16 2.18 0.00 1.53 0.00 -0.80 -5.10 120.51 116.16 3hf9 n ALA 92 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3hf9 n ALA 92 Cb 0.54 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3hf9 n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hf9 n ALA 93 N -1.33 0.87 -2.69 0.00 0.00 -1.23 -5.12 120.51 111.01 3hf9 n ALA 93 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.29 3hf9 n ALA 93 Cb 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.64 3hf9 n ALA 93 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hf9 n LEU 99 N -0.59 4.06 -4.42 0.00 4.77 -1.26 -4.96 117.00 114.60 3hf9 n LEU 99 Ca 0.00 -5.21 -0.44 0.00 -0.03 0.00 0.00 56.01 50.33 3hf9 n LEU 99 Cb 0.00 -0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 40.72 3hf9 n LEU 99 CO 0.00 2.21 0.64 0.00 -1.33 0.00 0.00 177.39 178.92 3hf9 s ALA 100 N -3.41 3.32 -0.31 -1.18 0.00 -1.26 -5.03 121.76 113.90 3hf9 s ALA 100 Ca 0.46 -2.23 -0.11 0.00 0.00 0.00 0.00 51.96 50.08 3hf9 s ALA 100 Cb 0.36 -3.75 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 3hf9 s ALA 100 CO -0.14 -2.62 0.20 -0.51 0.00 0.00 0.00 175.76 172.69 3hf9 s LEU 101 N 3.10 4.24 0.66 0.00 2.01 -1.26 -5.01 118.68 122.43 3hf9 s LEU 101 Ca 0.19 -0.30 -0.11 0.00 0.01 0.00 0.00 54.13 53.92 3hf9 s LEU 101 Cb -0.17 -2.10 -0.01 0.00 0.01 0.00 0.00 46.19 43.91 3hf9 s LEU 101 CO 0.04 -0.16 1.06 -2.84 1.01 0.00 0.00 176.35 175.46 3hf9 s PRO 102 N 1.71 3.22 -0.08 1.29 0.02 -1.26 -4.33 135.00 135.57 3hf9 s PRO 102 Ca 0.06 0.69 0.01 0.00 0.02 0.00 0.00 61.00 61.79 3hf9 s PRO 102 Cb -0.17 -2.04 0.02 0.00 0.02 0.00 0.00 34.50 32.33 3hf9 s PRO 102 CO 0.10 -0.83 -0.10 -1.17 -0.33 0.00 0.00 177.00 174.67 3hf9 s LEU 103 N -5.31 1.43 -0.12 -5.54 0.20 -0.32 -3.07 118.68 105.95 3hf9 s LEU 103 Ca 0.57 -0.28 0.01 0.00 0.69 0.00 0.00 54.13 55.11 3hf9 s LEU 103 Cb -0.12 -0.79 -0.01 0.00 -0.43 0.00 0.00 46.19 44.84 3hf9 s LEU 103 CO 0.54 -0.04 -0.14 -0.22 -0.29 0.00 0.00 176.35 176.20 3hf9 s LEU 104 N 1.09 2.65 -0.04 -0.68 2.96 0.13 -1.53 118.68 123.27 3hf9 s LEU 104 Ca -0.07 -0.34 0.05 0.00 -0.22 0.00 0.00 54.13 53.55 3hf9 s LEU 104 Cb -0.14 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.94 3hf9 s LEU 104 CO -0.01 0.18 -0.17 0.00 -1.32 0.00 0.00 176.35 175.03 3hf9 s ALA 105 N 0.25 2.54 0.25 5.97 0.00 -0.14 -0.64 121.76 130.00 3hf9 s ALA 105 Ca -0.10 -1.02 -0.19 0.00 0.00 0.00 0.00 51.96 50.65 3hf9 s ALA 105 Cb -0.16 -0.86 0.02 0.00 0.00 0.00 0.00 23.12 22.13 3hf9 s ALA 105 CO 0.06 0.55 0.62 0.20 0.00 0.00 0.00 175.76 177.19 3hf9 s GLY 106 N -0.74 0.01 -0.07 0.00 0.00 -0.66 -0.78 107.32 105.07 3hf9 s GLY 106 Ca 0.11 -0.36 0.04 0.00 0.00 0.00 0.00 44.72 44.51 3hf9 s GLY 106 CO 0.00 -0.22 -0.19 -0.47 0.00 0.00 0.00 173.10 172.23 3hf9 s TYR 107 N -3.92 2.03 -0.44 1.90 5.04 -0.38 -0.16 117.35 121.41 3hf9 s TYR 107 Ca 0.12 -0.75 -0.13 0.00 -2.44 0.00 0.00 57.07 53.87 3hf9 s TYR 107 Cb -0.04 -1.39 0.06 0.00 0.35 0.00 0.00 41.96 40.95 3hf9 s TYR 107 CO 0.04 -0.31 0.33 0.34 -1.34 0.00 0.00 175.55 174.61 3hf9 s ASP 108 N 0.34 5.96 0.27 4.32 2.15 -0.48 -4.87 116.67 124.36 3hf9 s ASP 108 Ca -0.13 -1.29 0.02 0.00 0.43 0.00 0.00 52.55 51.57 3hf9 s ASP 108 Cb -0.16 -2.11 0.37 0.00 -0.30 0.00 0.00 42.92 40.72 3hf9 s ASP 108 CO 0.06 -0.57 1.69 0.16 -0.17 0.00 0.00 175.17 176.33 3hf9 h ILE 109 N 5.84 1.28 0.00 4.11 3.07 -1.98 -2.62 117.51 127.21 3hf9 h ILE 109 Ca -0.26 -1.38 0.00 0.00 1.55 0.00 0.00 64.86 64.77 3hf9 h ILE 109 Cb 1.10 1.44 0.00 0.00 -0.27 0.00 0.00 36.82 39.10 3hf9 h ILE 109 CO 0.81 0.43 0.00 1.41 -1.05 0.00 0.00 178.15 179.75 3hf9 n HIS 110 N -4.08 0.00 -2.54 0.16 8.25 -1.26 -4.81 115.22 110.93 3hf9 n HIS 110 Ca -0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.05 3hf9 n HIS 110 Cb 0.44 -0.05 -0.05 0.00 1.12 0.00 0.00 29.99 31.46 3hf9 n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hf9 s ALA 111 N -2.10 3.39 0.10 -1.41 0.00 -0.99 -4.95 121.76 115.81 3hf9 s ALA 111 Ca 0.19 0.83 -0.22 0.00 0.00 0.00 0.00 51.96 52.77 3hf9 s ALA 111 Cb 0.09 -3.30 -0.12 0.00 0.00 0.00 0.00 23.12 19.80 3hf9 s ALA 111 CO 0.17 -0.07 1.74 0.66 0.00 0.00 0.00 175.76 178.26 3hf9 h SER 112 N 3.91 0.09 -3.54 0.00 4.64 -1.90 -3.39 113.55 113.36 3hf9 h SER 112 Ca -0.46 -0.02 -0.71 0.00 -0.47 0.00 0.00 61.79 60.13 3hf9 h SER 112 Cb 1.21 -0.02 -0.22 0.00 -0.31 0.00 0.00 62.40 63.05 3hf9 h SER 112 CO 0.67 0.08 -0.47 -0.62 -0.87 0.00 0.00 176.83 175.62 3hf9 s ASP 113 N -5.28 5.95 0.59 4.97 3.68 -1.26 -4.96 116.67 120.36 3hf9 s ASP 113 Ca -0.13 -0.92 0.37 0.00 2.13 0.00 0.00 52.55 54.00 3hf9 s ASP 113 Cb 0.07 -2.10 1.74 0.00 -1.45 0.00 0.00 42.92 41.17 3hf9 s ASP 113 CO 0.67 -0.41 2.12 -0.65 0.13 0.00 0.00 175.17 177.03 3hf9 h PRO 114 N 8.54 0.00 -0.52 4.34 0.11 -1.95 -2.68 132.00 139.85 3hf9 h PRO 114 Ca -0.27 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.76 3hf9 h PRO 114 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3hf9 h PRO 114 CO 0.70 0.01 0.01 1.96 -0.21 0.00 0.00 178.00 180.47 3hf9 h GLN 115 N 0.00 0.91 -1.26 1.05 1.08 -1.93 -3.26 115.11 111.70 3hf9 h GLN 115 Ca -0.00 -0.28 -0.62 0.00 -1.45 0.00 0.00 58.65 56.30 3hf9 h GLN 115 Cb 0.33 -0.09 -0.38 0.00 -0.05 0.00 0.00 27.48 27.30 3hf9 h GLN 115 CO 0.00 0.93 -0.21 -1.13 -0.95 0.00 0.00 178.83 177.47 3hf9 n SER 116 N -4.31 5.72 -0.37 1.46 3.41 -1.02 -0.34 113.62 118.17 3hf9 n SER 116 Ca 0.01 -3.76 0.12 0.00 -0.26 0.00 0.00 58.87 54.99 3hf9 n SER 116 Cb 0.31 -0.60 0.27 0.00 -0.26 0.00 0.00 64.21 63.93 3hf9 n SER 116 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hf9 n ALA 117 N -0.64 3.15 -1.76 7.33 0.00 -1.16 -4.90 120.51 122.55 3hf9 n ALA 117 Ca 0.47 -0.49 -0.36 0.00 0.00 0.00 0.00 53.44 53.05 3hf9 n ALA 117 Cb 0.69 -1.02 0.03 0.00 0.00 0.00 0.00 19.45 19.15 3hf9 n ALA 117 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hf9 s GLY 118 N -2.43 2.76 0.01 0.00 0.00 -1.26 -1.38 107.32 105.01 3hf9 s GLY 118 Ca 0.24 1.03 0.00 0.00 0.00 0.00 0.00 44.72 46.00 3hf9 s GLY 118 CO 0.51 1.45 -0.02 0.50 0.00 0.00 0.00 173.10 175.54 3hf9 s ARG 119 N -3.18 0.15 -0.05 2.90 1.81 0.77 -4.90 118.95 116.45 3hf9 s ARG 119 Ca 0.74 -0.18 0.01 0.00 -1.72 0.00 0.00 55.73 54.58 3hf9 s ARG 119 Cb -0.31 -0.06 0.02 0.00 -0.45 0.00 0.00 34.95 34.16 3hf9 s ARG 119 CO 0.35 0.01 -0.04 0.42 -0.68 0.00 0.00 175.30 175.36 3hf9 s ILE 120 N -0.36 0.56 -0.07 1.52 1.01 -1.26 -1.65 121.20 120.96 3hf9 s ILE 120 Ca -0.03 -0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.54 3hf9 s ILE 120 Cb -0.03 -0.60 0.01 0.00 0.01 0.00 0.00 42.46 41.85 3hf9 s ILE 120 CO -0.00 0.24 -0.15 -0.69 0.00 0.00 0.00 174.94 174.34 3hf9 s VAL 121 N 1.10 1.35 0.39 2.92 1.01 0.19 -1.80 120.40 125.55 3hf9 s VAL 121 Ca -0.08 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.34 3hf9 s VAL 121 Cb -0.14 -1.20 -0.07 0.00 0.00 0.00 0.00 36.38 34.97 3hf9 s VAL 121 CO -0.01 0.40 0.03 -0.94 0.00 0.00 0.00 175.10 174.58 3hf9 s SER 122 N 0.52 3.36 0.02 3.32 1.04 -0.61 0.21 113.70 121.56 3hf9 s SER 122 Ca -0.14 -1.40 0.06 0.00 0.48 0.00 0.00 55.95 54.94 3hf9 s SER 122 Cb -0.16 -0.20 -0.02 0.00 0.10 0.00 0.00 66.02 65.75 3hf9 s SER 122 CO 0.05 -0.55 -0.17 -0.36 0.98 0.00 0.00 173.24 173.19 3hf9 s PHE 123 N -2.93 1.49 0.86 5.02 0.40 -1.17 -1.33 117.98 120.30 3hf9 s PHE 123 Ca 0.33 -0.33 -0.09 0.00 -0.60 0.00 0.00 56.93 56.24 3hf9 s PHE 123 Cb 0.09 -0.91 0.17 0.00 0.51 0.00 0.00 43.02 42.88 3hf9 s PHE 123 CO 0.16 0.03 1.18 0.16 0.70 0.00 0.00 175.22 177.45 3hf9 s ASP 124 N -0.89 3.64 0.40 1.36 1.47 -0.79 -4.82 116.67 117.04 3hf9 s ASP 124 Ca 0.05 -0.04 0.17 0.00 1.18 0.00 0.00 52.55 53.91 3hf9 s ASP 124 Cb -0.08 -0.14 1.07 0.00 -0.34 0.00 0.00 42.92 43.44 3hf9 s ASP 124 CO 0.01 -2.36 1.79 0.00 0.68 0.00 0.00 175.17 175.29 3hf9 h ALA 125 N -1.15 2.19 -0.67 2.11 0.00 -2.01 -2.13 119.26 117.59 3hf9 h ALA 125 Ca -0.40 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3hf9 h ALA 125 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3hf9 h ALA 125 CO 0.38 -0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.07 3hf9 n ALA 126 N -2.48 3.03 -0.95 0.00 0.00 -1.26 -4.92 120.51 113.93 3hf9 n ALA 126 Ca 0.24 -1.58 0.00 0.00 0.00 0.00 0.00 53.44 52.10 3hf9 n ALA 126 Cb 0.81 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.24 3hf9 n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hf9 n GLY 127 N 1.23 0.45 3.73 0.00 0.00 -0.80 -4.98 105.19 104.82 3hf9 n GLY 127 Ca 0.26 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 3hf9 n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hf9 s GLY 128 N -2.65 2.52 0.79 -0.02 0.00 -1.26 -4.62 107.32 102.08 3hf9 s GLY 128 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 44.72 44.57 3hf9 s GLY 128 CO 0.00 0.90 1.12 0.66 0.00 0.00 0.00 173.10 175.78 3hf9 s TRP 129 N 0.47 2.95 -0.25 1.90 1.48 -1.26 -1.89 118.94 122.33 3hf9 s TRP 129 Ca 0.31 0.97 -0.11 0.00 -1.06 0.00 0.00 56.10 56.21 3hf9 s TRP 129 Cb -0.17 -3.25 0.10 0.00 -1.16 0.00 0.00 33.47 28.99 3hf9 s TRP 129 CO 0.15 -1.71 0.58 1.21 -4.06 0.00 0.00 176.95 173.12 3hf9 s ASN 130 N -4.23 -0.82 -0.13 -2.66 3.04 -0.45 -4.89 114.94 104.81 3hf9 s ASN 130 Ca 0.61 1.34 -0.18 0.00 0.04 0.00 0.00 52.86 54.67 3hf9 s ASN 130 Cb -0.13 1.64 -0.04 0.00 -1.54 0.00 0.00 41.25 41.18 3hf9 s ASN 130 CO 0.52 -0.22 0.50 -0.63 -3.04 0.00 0.00 177.10 174.22 3hf9 s ILE 131 N 2.28 5.17 -0.36 -5.21 1.01 -1.26 -1.57 121.20 121.26 3hf9 s ILE 131 Ca -0.07 0.98 -0.26 0.00 0.00 0.00 0.00 60.65 61.30 3hf9 s ILE 131 Cb -0.10 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.56 3hf9 s ILE 131 CO -0.17 0.29 0.95 -1.61 0.00 0.00 0.00 174.94 174.40 3hf9 s GLU 132 N 0.82 3.88 0.00 2.79 0.41 -0.75 -4.89 118.70 120.96 3hf9 s GLU 132 Ca 0.26 0.65 0.17 0.00 -0.41 0.00 0.00 54.97 55.64 3hf9 s GLU 132 Cb -0.15 -3.79 0.06 0.00 -1.78 0.00 0.00 34.13 28.46 3hf9 s GLU 132 CO 0.10 -0.94 0.97 0.39 -0.49 0.00 0.00 175.26 175.29 3hf9 n GLU 133 N 6.79 1.56 0.00 1.61 1.02 -1.26 -4.31 120.64 126.06 3hf9 n GLU 133 Ca 0.08 -1.16 0.14 0.00 -0.02 0.00 0.00 57.16 56.20 3hf9 n GLU 133 Cb 0.48 -1.32 0.54 0.00 -0.02 0.00 0.00 31.44 31.12 3hf9 n GLU 133 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3hf9 n GLU 134 N 0.38 0.12 0.00 3.49 1.02 -1.26 -4.95 120.64 119.43 3hf9 n GLU 134 Ca 0.09 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3hf9 n GLU 134 Cb 0.40 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 3hf9 n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hf9 n GLY 135 N 1.46 2.71 3.21 0.62 0.00 -1.26 -5.03 105.19 106.90 3hf9 n GLY 135 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 3hf9 n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hf9 s TYR 136 N -2.72 1.00 0.03 1.61 1.13 -1.26 -0.15 117.35 116.98 3hf9 s TYR 136 Ca 0.00 -1.28 -0.27 0.00 -1.41 0.00 0.00 57.07 54.11 3hf9 s TYR 136 Cb 0.00 -0.48 0.09 0.00 -1.10 0.00 0.00 41.96 40.48 3hf9 s TYR 136 CO 0.00 -0.63 0.82 -1.14 -2.51 0.00 0.00 175.55 172.09 3hf9 s GLN 137 N -4.11 0.93 -0.07 -3.49 2.00 -0.14 -4.94 119.66 109.84 3hf9 s GLN 137 Ca 0.33 -0.30 -0.21 0.00 -2.00 0.00 0.00 55.36 53.18 3hf9 s GLN 137 Cb 0.07 0.43 0.05 0.00 0.80 0.00 0.00 33.01 34.35 3hf9 s GLN 137 CO 0.08 -0.40 0.48 0.00 -0.50 0.00 0.00 175.29 174.96 3hf9 s ALA 138 N -3.12 -1.23 0.09 1.58 0.00 -1.26 -1.33 121.76 116.48 3hf9 s ALA 138 Ca 0.03 0.95 0.02 0.00 0.00 0.00 0.00 51.96 52.97 3hf9 s ALA 138 Cb -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 3hf9 s ALA 138 CO -0.09 -0.29 -0.07 0.14 0.00 0.00 0.00 175.76 175.45 3hf9 s VAL 139 N -0.84 0.72 0.00 0.00 -7.23 -0.77 -4.88 120.40 107.39 3hf9 s VAL 139 Ca -0.09 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 3hf9 s VAL 139 Cb -0.03 -1.42 0.00 0.00 0.56 0.00 0.00 36.38 35.49 3hf9 s VAL 139 CO 0.05 -0.72 0.00 0.61 -0.31 0.00 0.00 175.10 174.73 3hf9 n GLY 140 N 0.35 0.77 0.27 2.32 0.00 -1.26 -1.39 105.19 106.25 3hf9 n GLY 140 Ca -0.15 -2.21 -0.00 0.00 0.00 0.00 0.00 46.02 43.67 3hf9 n GLY 140 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hf9 h SER 141 N 0.00 0.50 -0.35 1.61 4.64 -1.97 -1.71 113.55 116.27 3hf9 h SER 141 Ca 0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3hf9 h SER 141 Cb 0.00 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3hf9 h SER 141 CO 0.00 0.56 0.00 0.61 -0.87 0.00 0.00 176.83 177.13 3hf9 n GLY 142 N -0.90 1.16 0.34 -0.77 0.00 -1.26 -4.44 105.19 99.31 3hf9 n GLY 142 Ca 0.02 -0.42 0.04 0.00 0.00 0.00 0.00 46.02 45.65 3hf9 n GLY 142 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hf9 h SER 143 N 2.14 0.69 -0.29 1.61 4.64 -1.54 -1.99 113.55 118.82 3hf9 h SER 143 Ca 0.00 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 3hf9 h SER 143 Cb 0.70 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3hf9 h SER 143 CO 0.07 0.48 -0.07 -0.07 -0.87 0.00 0.00 176.83 176.37 3hf9 h LEU 144 N 0.81 0.56 -0.45 5.97 3.38 -1.82 -1.12 115.31 122.64 3hf9 h LEU 144 Ca 0.27 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 3hf9 h LEU 144 Cb 0.07 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3hf9 h LEU 144 CO -0.08 0.80 -0.01 -0.26 0.09 0.00 0.00 178.44 178.98 3hf9 h PHE 145 N 0.32 0.88 0.32 1.13 0.04 -1.79 -2.02 116.94 115.83 3hf9 h PHE 145 Ca 0.07 -0.16 -0.01 0.00 2.80 0.00 0.00 57.97 60.68 3hf9 h PHE 145 Cb 0.55 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 3hf9 h PHE 145 CO 0.05 0.86 -0.21 0.00 -0.60 0.00 0.00 178.31 178.40 3hf9 h ALA 146 N 0.91 -0.51 -0.92 2.45 0.00 -1.25 -0.07 119.26 119.87 3hf9 h ALA 146 Ca 0.13 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3hf9 h ALA 146 Cb 0.51 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 3hf9 h ALA 146 CO 0.03 -0.80 0.59 0.87 0.00 0.00 0.00 179.25 179.93 3hf9 h LYS 147 N -0.52 1.10 0.00 0.00 1.57 -1.18 -0.15 116.57 117.38 3hf9 h LYS 147 Ca -0.03 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 3hf9 h LYS 147 Cb 0.44 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3hf9 h LYS 147 CO 0.02 0.73 -0.34 0.77 -0.57 0.00 0.00 179.45 180.05 3hf9 h SER 148 N 1.13 0.00 -0.16 0.86 0.02 -1.14 -0.32 113.55 113.94 3hf9 h SER 148 Ca 0.37 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.25 3hf9 h SER 148 Cb 0.04 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 3hf9 h SER 148 CO -0.13 0.34 -0.19 -1.28 -1.14 0.00 0.00 176.83 174.43 3hf9 h SER 149 N 0.00 0.45 -0.17 3.07 0.87 -0.34 -3.23 113.55 114.20 3hf9 h SER 149 Ca -0.00 -0.50 -0.04 0.00 -1.23 0.00 0.00 61.79 60.01 3hf9 h SER 149 Cb 0.75 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 3hf9 h SER 149 CO 0.04 0.86 -0.01 0.24 -0.53 0.00 0.00 176.83 177.43 3hf9 h MET 150 N 0.05 0.44 -1.01 2.24 2.07 -0.57 -1.89 114.93 116.27 3hf9 h MET 150 Ca 0.02 -0.09 0.19 0.00 -2.07 0.00 0.00 59.70 57.75 3hf9 h MET 150 Cb 0.74 -0.07 -0.11 0.00 -1.87 0.00 0.00 31.60 30.30 3hf9 h MET 150 CO 0.05 0.48 0.61 -0.22 1.07 0.00 0.00 176.91 178.90 3hf9 h LYS 151 N 0.43 0.75 0.03 1.72 3.64 -1.08 0.27 116.57 122.33 3hf9 h LYS 151 Ca 0.09 -0.04 -0.27 0.00 -1.27 0.00 0.00 60.65 59.16 3hf9 h LYS 151 Cb 0.30 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 3hf9 h LYS 151 CO 0.01 0.49 -1.42 0.87 -2.27 0.00 0.00 179.45 177.13 3hf9 h LYS 152 N 0.77 0.06 0.00 1.90 1.79 -1.45 -3.36 116.57 116.28 3hf9 h LYS 152 Ca 0.58 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.95 3hf9 h LYS 152 Cb 0.89 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 3hf9 h LYS 152 CO -0.38 0.82 -0.91 1.28 -1.08 0.00 0.00 179.45 179.18 3hf9 n LEU 153 N -3.25 0.70 -0.14 2.94 4.77 -0.70 -4.46 117.00 116.86 3hf9 n LEU 153 Ca -0.11 -0.19 -0.04 0.00 -0.03 0.00 0.00 56.01 55.64 3hf9 n LEU 153 Cb 1.01 -0.10 0.16 0.00 -2.33 0.00 0.00 43.42 42.16 3hf9 n LEU 153 CO 0.47 0.14 0.93 0.22 -1.33 0.00 0.00 177.39 177.82 3hf9 h TYR 154 N 0.00 0.90 -1.38 -1.77 3.20 -0.64 -1.38 116.97 115.89 3hf9 h TYR 154 Ca 0.00 -0.11 0.42 0.00 3.14 0.00 0.00 58.73 62.19 3hf9 h TYR 154 Cb 0.59 -0.25 -0.10 0.00 1.54 0.00 0.00 36.73 38.50 3hf9 h TYR 154 CO 0.00 0.78 0.93 0.66 -1.64 0.00 0.00 178.16 178.90 3hf9 h SER 155 N 0.81 0.19 -0.01 -2.11 4.64 -1.83 0.13 113.55 115.37 3hf9 h SER 155 Ca 0.17 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3hf9 h SER 155 Cb 0.38 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3hf9 h SER 155 CO 0.01 -0.09 0.00 0.00 -0.87 0.00 0.00 176.83 175.88 3hf9 n GLN 156 N -4.47 1.08 -3.11 4.77 6.02 -0.52 -4.80 117.38 116.35 3hf9 n GLN 156 Ca 0.35 -0.12 -0.41 0.00 -0.01 0.00 0.00 57.00 56.81 3hf9 n GLN 156 Cb 1.44 -1.42 -0.06 0.00 1.02 0.00 0.00 30.24 31.22 3hf9 n GLN 156 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hf9 s VAL 157 N -1.99 4.94 0.00 5.09 1.01 0.03 -4.84 120.40 124.64 3hf9 s VAL 157 Ca 0.39 0.90 0.00 0.00 0.00 0.00 0.00 61.98 63.28 3hf9 s VAL 157 Cb 0.18 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.57 3hf9 s VAL 157 CO 0.31 -0.12 0.00 0.35 0.00 0.00 0.00 175.10 175.64 3hf9 n THR 158 N 5.37 0.00 -3.97 3.92 -2.24 -1.26 -4.87 114.28 111.23 3hf9 n THR 158 Ca -0.01 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.67 3hf9 n THR 158 Cb 0.49 -0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 3hf9 n THR 158 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hf9 n ASP 159 N -1.25 -0.72 0.23 3.42 5.75 -1.26 -4.50 116.55 118.22 3hf9 n ASP 159 Ca 0.00 -2.24 0.09 0.00 -0.01 0.00 0.00 54.79 52.63 3hf9 n ASP 159 Cb 0.15 1.41 0.57 0.00 -1.03 0.00 0.00 41.12 42.23 3hf9 n ASP 159 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3hf9 h GLY 160 N 1.25 0.00 1.06 6.12 0.00 -1.96 -1.83 103.07 107.71 3hf9 h GLY 160 Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.90 3hf9 h GLY 160 CO 0.22 0.00 -1.13 -1.80 0.00 0.00 0.00 176.54 173.84 3hf9 h ASP 161 N 0.00 0.75 -0.13 0.19 -0.00 -1.99 -1.80 116.42 113.43 3hf9 h ASP 161 Ca -0.00 -0.87 -0.18 0.00 -0.00 0.00 0.00 57.03 55.98 3hf9 h ASP 161 Cb 0.50 -0.24 -0.00 0.00 -0.00 0.00 0.00 39.33 39.60 3hf9 h ASP 161 CO 0.03 1.54 -0.58 0.77 -0.00 0.00 0.00 179.24 181.00 3hf9 h SER 162 N 0.06 0.82 -0.74 2.28 4.64 -1.90 -2.21 113.55 116.50 3hf9 h SER 162 Ca -0.18 -0.45 0.11 0.00 -0.47 0.00 0.00 61.79 60.80 3hf9 h SER 162 Cb 1.84 -0.24 -0.08 0.00 -0.31 0.00 0.00 62.40 63.62 3hf9 h SER 162 CO 0.22 1.22 0.36 1.23 -0.87 0.00 0.00 176.83 178.98 3hf9 h GLY 163 N 0.85 1.14 1.02 -0.77 0.00 -1.37 0.16 103.07 104.10 3hf9 h GLY 163 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 3hf9 h GLY 163 CO 0.12 0.01 0.38 -2.00 0.00 0.00 0.00 176.54 175.05 3hf9 h LEU 164 N 0.57 0.99 0.13 3.11 6.46 -1.03 -0.98 115.31 124.56 3hf9 h LEU 164 Ca 0.38 -0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 58.01 3hf9 h LEU 164 Cb 0.47 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.15 3hf9 h LEU 164 CO -0.31 0.84 -0.06 -0.09 -0.62 0.00 0.00 178.44 178.19 3hf9 h ARG 165 N 1.07 -0.17 -0.63 1.25 2.43 -0.59 -1.60 114.38 116.15 3hf9 h ARG 165 Ca 0.26 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.57 3hf9 h ARG 165 Cb 0.10 0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 29.59 3hf9 h ARG 165 CO -0.04 0.17 0.10 0.28 -1.51 0.00 0.00 179.97 178.97 3hf9 h VAL 166 N -0.52 0.57 -0.37 0.20 2.07 -1.00 0.23 116.25 117.42 3hf9 h VAL 166 Ca -0.02 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.50 3hf9 h VAL 166 Cb 0.41 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 3hf9 h VAL 166 CO 0.03 0.04 -0.03 0.00 0.02 0.00 0.00 177.57 177.63 3hf9 h ALA 167 N 1.53 0.31 -0.27 1.67 0.00 -1.03 0.65 119.26 122.12 3hf9 h ALA 167 Ca 0.34 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.28 3hf9 h ALA 167 Cb 0.53 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3hf9 h ALA 167 CO -0.46 -0.42 -0.20 0.28 0.00 0.00 0.00 179.25 178.45 3hf9 h VAL 168 N 0.07 1.25 -0.38 0.00 2.07 -0.53 -1.53 116.25 117.20 3hf9 h VAL 168 Ca 0.18 -1.17 -0.10 0.00 0.82 0.00 0.00 66.70 66.43 3hf9 h VAL 168 Cb 0.26 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3hf9 h VAL 168 CO -0.33 0.37 -0.16 -0.08 0.02 0.00 0.00 177.57 177.39 3hf9 h GLU 169 N 0.44 0.79 -0.56 1.57 4.81 -0.11 -1.57 114.58 119.94 3hf9 h GLU 169 Ca 0.07 -0.34 0.05 0.00 -0.13 0.00 0.00 59.36 59.02 3hf9 h GLU 169 Cb 0.60 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.90 3hf9 h GLU 169 CO 0.04 0.96 0.29 0.00 -0.73 0.00 0.00 179.01 179.56 3hf9 h ALA 170 N 0.81 0.73 0.00 2.92 0.00 -0.54 0.26 119.26 123.44 3hf9 h ALA 170 Ca 0.09 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3hf9 h ALA 170 Cb 0.71 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3hf9 h ALA 170 CO 0.05 -0.06 -0.22 -0.07 0.00 0.00 0.00 179.25 178.95 3hf9 h LEU 171 N 0.54 0.00 -0.11 0.00 3.38 -1.19 -0.26 115.31 117.67 3hf9 h LEU 171 Ca 0.25 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.13 3hf9 h LEU 171 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3hf9 h LEU 171 CO -0.18 0.22 -0.30 0.22 0.09 0.00 0.00 178.44 178.49 3hf9 h TYR 172 N 0.00 0.50 -0.42 1.13 3.20 -0.03 -2.25 116.97 119.10 3hf9 h TYR 172 Ca -0.00 -0.20 -0.01 0.00 3.14 0.00 0.00 58.73 61.66 3hf9 h TYR 172 Cb 0.47 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 3hf9 h TYR 172 CO 0.00 0.91 0.21 -0.44 -1.64 0.00 0.00 178.16 177.21 3hf9 h ASP 173 N -0.05 0.52 -0.43 -2.11 3.32 -0.22 -1.86 116.42 115.58 3hf9 h ASP 173 Ca -0.01 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 3hf9 h ASP 173 Cb 0.91 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 3hf9 h ASP 173 CO 0.06 0.43 -0.02 0.00 -1.72 0.00 0.00 179.24 178.00 3hf9 h ALA 174 N 1.65 0.58 0.00 3.45 0.00 -0.94 -2.45 119.26 121.55 3hf9 h ALA 174 Ca 0.15 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hf9 h ALA 174 Cb 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3hf9 h ALA 174 CO -0.02 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.61 3hf9 h ALA 175 N 0.89 1.00 0.00 0.00 0.00 -0.82 -0.55 119.26 119.77 3hf9 h ALA 175 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 3hf9 h ALA 175 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3hf9 h ALA 175 CO 0.03 0.00 -1.14 0.22 0.00 0.00 0.00 179.25 178.35 3hf9 h ASP 176 N 0.00 0.00 -0.00 0.00 3.58 -0.87 -3.32 116.42 115.80 3hf9 h ASP 176 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3hf9 h ASP 176 Cb 0.47 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.52 3hf9 h ASP 176 CO 0.00 0.94 -0.14 0.47 -2.88 0.00 0.00 179.24 177.63 3hf9 n ASP 177 N -3.25 0.92 -3.97 2.28 8.00 -1.02 -4.97 116.55 114.53 3hf9 n ASP 177 Ca -0.04 -0.96 -0.22 0.00 0.71 0.00 0.00 54.79 54.28 3hf9 n ASP 177 Cb 0.95 0.50 -0.16 0.00 -0.02 0.00 0.00 41.12 42.39 3hf9 n ASP 177 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hf9 s ASP 178 N -1.06 1.35 0.01 -2.24 2.15 -0.25 -5.02 116.67 111.61 3hf9 s ASP 178 Ca 0.05 -0.21 0.25 0.00 0.43 0.00 0.00 52.55 53.07 3hf9 s ASP 178 Cb 0.05 -0.59 0.50 0.00 -0.30 0.00 0.00 42.92 42.58 3hf9 s ASP 178 CO 0.16 0.01 1.41 -1.54 -0.17 0.00 0.00 175.17 175.04 3hf9 n SER 179 N 3.78 0.51 0.03 -0.34 3.41 -1.26 -3.33 113.62 116.42 3hf9 n SER 179 Ca -0.23 -0.20 0.13 0.00 -0.26 0.00 0.00 58.87 58.30 3hf9 n SER 179 Cb 0.52 0.24 0.33 0.00 -0.26 0.00 0.00 64.21 65.04 3hf9 n SER 179 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hf9 n ALA 180 N -1.53 2.95 -2.84 7.33 0.00 -1.26 -4.76 120.51 120.39 3hf9 n ALA 180 Ca 0.05 -0.23 -0.35 0.00 0.00 0.00 0.00 53.44 52.92 3hf9 n ALA 180 Cb 0.35 -1.25 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 3hf9 n ALA 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hf9 s THR 181 N -3.06 4.69 0.09 0.00 2.01 -1.21 -4.67 115.64 113.49 3hf9 s THR 181 Ca 0.10 -0.07 -0.20 0.00 0.31 0.00 0.00 61.69 61.84 3hf9 s THR 181 Cb 0.16 -3.12 -0.07 0.00 0.01 0.00 0.00 72.50 69.48 3hf9 s THR 181 CO 0.66 0.45 0.60 -0.83 -0.69 0.00 0.00 174.62 174.80 3hf9 s GLY 182 N 0.52 2.69 0.43 4.40 0.00 -1.26 -4.48 107.32 109.62 3hf9 s GLY 182 Ca 0.03 0.07 -0.02 0.00 0.00 0.00 0.00 44.72 44.80 3hf9 s GLY 182 CO 0.01 0.50 0.59 0.61 0.00 0.00 0.00 173.10 174.82 3hf9 n GLY 183 N 1.62 0.32 3.66 0.20 0.00 -1.26 -4.55 105.19 105.18 3hf9 n GLY 183 Ca -0.09 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 3hf9 n GLY 183 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hf9 s PRO 184 N -4.04 4.20 -0.59 1.61 0.02 -1.26 -4.90 135.00 130.04 3hf9 s PRO 184 Ca 0.38 2.01 -0.22 0.00 0.02 0.00 0.00 61.00 63.19 3hf9 s PRO 184 Cb -0.02 -3.90 0.06 0.00 0.02 0.00 0.00 34.50 30.67 3hf9 s PRO 184 CO 0.26 -0.79 0.85 0.34 -0.33 0.00 0.00 177.00 177.32 3hf9 s ASP 185 N 2.84 6.23 0.19 2.53 3.68 -0.44 -4.90 116.67 126.80 3hf9 s ASP 185 Ca 0.67 -0.87 0.05 0.00 2.13 0.00 0.00 52.55 54.53 3hf9 s ASP 185 Cb -0.29 -2.38 0.08 0.00 -1.45 0.00 0.00 42.92 38.88 3hf9 s ASP 185 CO 0.24 -1.22 1.44 -0.07 0.13 0.00 0.00 175.17 175.69 3hf9 h LEU 186 N 10.71 0.16 -0.55 -1.34 3.38 -1.93 0.66 115.31 126.40 3hf9 h LEU 186 Ca -0.28 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.58 3hf9 h LEU 186 Cb 1.08 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 3hf9 h LEU 186 CO 1.10 0.89 0.36 0.58 0.09 0.00 0.00 178.44 181.46 3hf9 h VAL 187 N 0.07 1.13 0.00 1.22 2.07 -1.98 -3.10 116.25 115.67 3hf9 h VAL 187 Ca -0.03 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3hf9 h VAL 187 Cb 1.40 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3hf9 h VAL 187 CO 0.12 0.13 -0.99 0.54 0.02 0.00 0.00 177.57 177.39 3hf9 n ARG 188 N -4.71 0.19 -3.11 1.57 1.74 -1.23 -4.99 116.66 106.12 3hf9 n ARG 188 Ca 0.03 -0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 56.96 3hf9 n ARG 188 Cb 0.02 -1.55 0.06 0.00 -1.02 0.00 0.00 32.46 29.97 3hf9 n ARG 188 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hf9 n GLY 189 N 1.41 -0.11 3.17 -0.13 0.00 0.13 -5.04 105.19 104.62 3hf9 n GLY 189 Ca 0.03 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3hf9 n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hf9 s ILE 190 N -3.24 2.01 0.28 -0.61 1.01 -0.62 -5.01 121.20 115.03 3hf9 s ILE 190 Ca 0.16 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.90 3hf9 s ILE 190 Cb -0.07 -1.78 -0.06 0.00 0.01 0.00 0.00 42.46 40.56 3hf9 s ILE 190 CO 0.51 0.54 0.01 -0.36 0.00 0.00 0.00 174.94 175.65 3hf9 s PHE 191 N 0.76 1.80 0.72 3.97 0.40 -1.26 -1.32 117.98 123.05 3hf9 s PHE 191 Ca -0.09 -0.90 -0.16 0.00 -0.60 0.00 0.00 56.93 55.18 3hf9 s PHE 191 Cb -0.16 -1.10 0.03 0.00 0.51 0.00 0.00 43.02 42.30 3hf9 s PHE 191 CO -0.00 0.03 1.23 -2.30 0.70 0.00 0.00 175.22 174.87 3hf9 n PRO 192 N -0.56 0.69 -3.48 0.24 -0.02 -1.26 -4.80 135.00 125.80 3hf9 n PRO 192 Ca -0.04 0.30 -0.31 0.00 -2.02 0.00 0.00 63.50 61.44 3hf9 n PRO 192 Cb 0.65 -2.47 -0.05 0.00 -0.02 0.00 0.00 33.50 31.62 3hf9 n PRO 192 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hf9 s THR 193 N -1.71 5.03 0.06 3.45 -4.23 -0.70 -4.91 115.64 112.64 3hf9 s THR 193 Ca 0.78 0.21 -0.04 0.00 -1.18 0.00 0.00 61.69 61.46 3hf9 s THR 193 Cb -0.34 -3.65 -0.02 0.00 1.34 0.00 0.00 72.50 69.82 3hf9 s THR 193 CO 0.45 -0.10 0.06 0.00 -0.54 0.00 0.00 174.62 174.49 3hf9 s ALA 194 N -1.84 0.21 0.00 3.99 0.00 -1.26 -1.65 121.76 121.22 3hf9 s ALA 194 Ca 0.44 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.46 3hf9 s ALA 194 Cb -0.11 0.35 -0.01 0.00 0.00 0.00 0.00 23.12 23.35 3hf9 s ALA 194 CO 0.25 -0.42 -0.07 0.08 0.00 0.00 0.00 175.76 175.60 3hf9 s VAL 195 N -3.85 0.51 -0.09 0.00 1.01 0.11 -1.70 120.40 116.38 3hf9 s VAL 195 Ca 0.06 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.72 3hf9 s VAL 195 Cb 0.06 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 36.00 3hf9 s VAL 195 CO -0.10 0.09 -0.21 -0.63 0.00 0.00 0.00 175.10 174.25 3hf9 s ILE 196 N -0.27 1.86 -0.09 2.22 1.01 0.16 -0.81 121.20 125.28 3hf9 s ILE 196 Ca 0.01 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.80 3hf9 s ILE 196 Cb -0.03 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 3hf9 s ILE 196 CO -0.00 0.52 -0.20 -0.63 0.00 0.00 0.00 174.94 174.62 3hf9 s ILE 197 N 0.42 2.43 0.07 2.92 1.01 -0.54 -0.29 121.20 127.21 3hf9 s ILE 197 Ca -0.18 -0.90 -0.00 0.00 0.00 0.00 0.00 60.65 59.56 3hf9 s ILE 197 Cb -0.17 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.35 3hf9 s ILE 197 CO 0.08 0.56 0.10 -0.90 0.00 0.00 0.00 174.94 174.77 3hf9 n ASP 198 N 3.27 -0.27 -0.30 3.58 5.68 -0.80 -2.11 116.55 125.60 3hf9 n ASP 198 Ca -0.18 -1.38 0.02 0.00 -0.50 0.00 0.00 54.79 52.75 3hf9 n ASP 198 Cb 0.53 0.51 0.21 0.00 -1.14 0.00 0.00 41.12 41.23 3hf9 n ASP 198 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hf9 h ALA 199 N 1.55 1.45 -0.63 2.12 0.00 -1.96 -1.42 119.26 120.38 3hf9 h ALA 199 Ca -0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3hf9 h ALA 199 Cb 0.24 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3hf9 h ALA 199 CO 0.07 0.45 0.24 -0.44 0.00 0.00 0.00 179.25 179.58 3hf9 h ASP 200 N 1.10 0.84 -2.59 0.00 3.32 -1.95 -3.49 116.42 113.64 3hf9 h ASP 200 Ca 0.36 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3hf9 h ASP 200 Cb 0.05 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.38 3hf9 h ASP 200 CO -0.11 0.76 0.00 0.61 -1.72 0.00 0.00 179.24 178.78 3hf9 n GLY 201 N -0.99 -0.18 3.68 2.75 0.00 -0.53 -5.07 105.19 104.85 3hf9 n GLY 201 Ca 0.05 -1.71 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 3hf9 n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hf9 s ALA 202 N -1.22 3.52 0.02 4.61 0.00 -0.15 -1.90 121.76 126.63 3hf9 s ALA 202 Ca 0.00 -0.34 0.05 0.00 0.00 0.00 0.00 51.96 51.67 3hf9 s ALA 202 Cb 0.00 -2.74 -0.02 0.00 0.00 0.00 0.00 23.12 20.37 3hf9 s ALA 202 CO 0.00 -0.27 -0.15 0.08 0.00 0.00 0.00 175.76 175.41 3hf9 s VAL 203 N 1.25 1.21 -0.07 0.00 1.01 0.60 -4.97 120.40 119.43 3hf9 s VAL 203 Ca 0.24 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 3hf9 s VAL 203 Cb -0.15 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 3hf9 s VAL 203 CO 0.10 0.16 0.97 -1.81 0.00 0.00 0.00 175.10 174.51 3hf9 s ASP 204 N -0.84 7.26 0.32 3.32 1.01 -1.26 -0.67 116.67 125.81 3hf9 s ASP 204 Ca 0.04 1.54 -0.29 0.00 0.71 0.00 0.00 52.55 54.55 3hf9 s ASP 204 Cb -0.07 -2.55 -0.10 0.00 1.01 0.00 0.00 42.92 41.21 3hf9 s ASP 204 CO 0.01 -0.36 1.24 -0.69 0.21 0.00 0.00 175.17 175.58 3hf9 s VAL 205 N 1.59 2.95 0.42 -1.27 1.01 -0.69 -4.93 120.40 119.48 3hf9 s VAL 205 Ca 0.48 0.96 -0.25 0.00 0.00 0.00 0.00 61.98 63.17 3hf9 s VAL 205 Cb -0.19 -3.61 -0.08 0.00 0.00 0.00 0.00 36.38 32.50 3hf9 s VAL 205 CO 0.21 0.23 1.22 -2.84 0.00 0.00 0.00 175.10 173.92 3hf9 s PRO 206 N -1.70 3.95 0.35 2.72 0.02 -1.26 -4.65 135.00 134.42 3hf9 s PRO 206 Ca 0.48 1.95 0.04 0.00 0.02 0.00 0.00 61.00 63.48 3hf9 s PRO 206 Cb -0.37 -2.65 0.65 0.00 0.02 0.00 0.00 34.50 32.14 3hf9 s PRO 206 CO 0.49 -0.44 1.95 1.49 -0.33 0.00 0.00 177.00 180.16 3hf9 h GLU 207 N 2.53 0.66 -0.65 5.54 4.81 -1.95 -2.87 114.58 122.65 3hf9 h GLU 207 Ca -0.49 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 58.66 3hf9 h GLU 207 Cb 1.24 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 3hf9 h GLU 207 CO 0.62 0.53 0.43 0.77 -0.73 0.00 0.00 179.01 180.63 3hf9 h SER 208 N 0.66 0.75 -0.61 1.04 0.02 -1.99 -1.50 113.55 111.92 3hf9 h SER 208 Ca 0.16 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 3hf9 h SER 208 Cb 0.10 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 3hf9 h SER 208 CO -0.02 0.55 0.13 -0.09 -1.14 0.00 0.00 176.83 176.26 3hf9 h ARG 209 N 0.88 0.98 -0.70 3.45 2.43 -1.90 -1.67 114.38 117.86 3hf9 h ARG 209 Ca 0.24 -0.25 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3hf9 h ARG 209 Cb -0.10 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.30 3hf9 h ARG 209 CO -0.05 0.91 0.25 0.82 -1.51 0.00 0.00 179.97 180.39 3hf9 h ILE 210 N 0.89 1.25 -0.69 1.20 2.04 -1.48 0.70 117.51 121.42 3hf9 h ILE 210 Ca 0.19 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 3hf9 h ILE 210 Cb 0.38 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 3hf9 h ILE 210 CO 0.01 0.33 0.30 0.00 0.00 0.00 0.00 178.15 178.78 3hf9 h ALA 211 N 1.12 0.90 -0.57 1.87 0.00 -1.11 0.76 119.26 122.22 3hf9 h ALA 211 Ca 0.23 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3hf9 h ALA 211 Cb 0.25 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3hf9 h ALA 211 CO -0.01 0.49 0.27 1.49 0.00 0.00 0.00 179.25 181.48 3hf9 h GLU 212 N 0.98 0.81 0.04 0.00 4.81 -0.83 0.03 114.58 120.42 3hf9 h GLU 212 Ca 0.23 -0.10 -0.25 0.00 -0.13 0.00 0.00 59.36 59.11 3hf9 h GLU 212 Cb 0.17 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.40 3hf9 h GLU 212 CO -0.02 0.64 -1.05 -0.07 -0.73 0.00 0.00 179.01 177.77 3hf9 h LEU 213 N 0.81 0.62 -0.18 1.64 3.38 0.39 -2.90 115.31 119.06 3hf9 h LEU 213 Ca 0.20 -0.53 -0.11 0.00 0.09 0.00 0.00 57.88 57.53 3hf9 h LEU 213 Cb 0.10 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3hf9 h LEU 213 CO -0.03 1.35 -0.31 0.00 0.09 0.00 0.00 178.44 179.55 3hf9 h ALA 214 N 0.60 0.28 -0.36 1.53 0.00 0.78 -2.51 119.26 119.58 3hf9 h ALA 214 Ca -0.11 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 3hf9 h ALA 214 Cb 1.71 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 3hf9 h ALA 214 CO 0.19 0.31 0.01 0.00 0.00 0.00 0.00 179.25 179.76 3hf9 h ARG 215 N 0.18 0.56 0.31 0.00 3.08 -1.07 0.17 114.38 117.61 3hf9 h ARG 215 Ca 0.01 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 3hf9 h ARG 215 Cb 0.89 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 3hf9 h ARG 215 CO 0.07 0.58 -0.23 0.00 -1.07 0.00 0.00 179.97 179.32 3hf9 h ALA 216 N 1.48 -1.01 -1.04 0.04 0.00 -1.50 -2.14 119.26 115.08 3hf9 h ALA 216 Ca 0.12 -0.11 0.27 0.00 0.00 0.00 0.00 54.91 55.19 3hf9 h ALA 216 Cb 0.33 0.40 -0.11 0.00 0.00 0.00 0.00 17.79 18.41 3hf9 h ALA 216 CO 0.01 -1.01 0.65 0.82 0.00 0.00 0.00 179.25 179.72 3hf9 h ILE 217 N -0.52 0.49 0.22 0.00 2.04 -0.85 0.37 117.51 119.27 3hf9 h ILE 217 Ca -0.04 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 3hf9 h ILE 217 Cb 0.43 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3hf9 h ILE 217 CO 0.01 0.08 -0.11 0.40 0.00 0.00 0.00 178.15 178.54 3hf9 h ILE 218 N 0.43 0.00 -1.01 -0.67 2.04 -0.55 -2.90 117.51 114.86 3hf9 h ILE 218 Ca 0.63 -0.06 0.31 0.00 1.00 0.00 0.00 64.86 66.74 3hf9 h ILE 218 Cb 1.49 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.42 3hf9 h ILE 218 CO -0.37 0.00 0.58 -0.33 0.00 0.00 0.00 178.15 178.03 3hf9 h GLU 219 N -0.35 0.37 -0.95 2.37 5.08 -0.72 0.20 114.58 120.59 3hf9 h GLU 219 Ca -0.03 -0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.46 3hf9 h GLU 219 Cb 0.23 -0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.30 3hf9 h GLU 219 CO 0.05 0.25 0.55 1.03 -1.00 0.00 0.00 179.01 179.89 3hf9 h SER 220 N 0.38 0.73 0.19 1.42 0.87 -0.30 -2.51 113.55 114.33 3hf9 h SER 220 Ca 0.72 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 61.36 3hf9 h SER 220 Cb 1.58 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.49 3hf9 h SER 220 CO -0.57 0.31 -0.24 0.54 -0.53 0.00 0.00 176.83 176.34 3hf9 n ARG 221 N -4.77 0.98 0.00 2.24 1.74 0.62 -5.10 116.66 112.38 3hf9 n ARG 221 Ca 0.20 -0.60 0.13 0.00 -0.77 0.00 0.00 57.85 56.81 3hf9 n ARG 221 Cb 0.46 -1.49 0.78 0.00 -1.02 0.00 0.00 32.46 31.19 3hf9 n ARG 221 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54