#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 2.55 0.01 12.58 -1.09 -0.49 -2.58 121.20 132.18 3hf9 s ILE 3 Ca 0.00 -1.32 0.02 0.00 -2.23 0.00 0.00 60.65 57.12 3hf9 s ILE 3 Cb 0.00 -2.06 -0.01 0.00 -1.58 0.00 0.00 42.46 38.81 3hf9 s ILE 3 CO 0.00 0.31 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.27 3hf9 s VAL 4 N -0.92 0.46 -0.08 2.92 1.01 0.15 -1.56 120.40 122.39 3hf9 s VAL 4 Ca 0.14 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 3hf9 s VAL 4 Cb -0.10 -0.44 0.02 0.00 0.00 0.00 0.00 36.38 35.86 3hf9 s VAL 4 CO 0.05 -0.03 0.20 0.00 0.00 0.00 0.00 175.10 175.32 3hf9 s ALA 5 N -0.49 -0.48 -0.01 5.51 0.00 -0.27 -0.65 121.76 125.36 3hf9 s ALA 5 Ca -0.01 0.58 -0.09 0.00 0.00 0.00 0.00 51.96 52.44 3hf9 s ALA 5 Cb -0.04 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.74 3hf9 s ALA 5 CO -0.00 -0.10 0.19 -0.48 0.00 0.00 0.00 175.76 175.37 3hf9 s LEU 6 N 0.20 1.35 0.07 0.00 0.05 -0.37 -1.28 118.68 118.70 3hf9 s LEU 6 Ca -0.01 -0.04 -0.25 0.00 0.05 0.00 0.00 54.13 53.88 3hf9 s LEU 6 Cb -0.02 0.81 -0.06 0.00 -2.05 0.00 0.00 46.19 44.87 3hf9 s LEU 6 CO -0.00 -0.34 0.77 -0.54 -0.55 0.00 0.00 176.35 175.69 3hf9 s LYS 7 N -1.13 4.51 0.45 1.48 1.02 0.03 -0.65 119.74 125.45 3hf9 s LYS 7 Ca -0.12 1.09 0.04 0.00 0.02 0.00 0.00 55.97 57.00 3hf9 s LYS 7 Cb -0.06 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 3hf9 s LYS 7 CO 0.02 0.34 0.02 1.52 -0.92 0.00 0.00 175.35 176.33 3hf9 s TYR 8 N -0.26 2.11 -0.32 3.18 -0.85 -0.69 -4.95 117.35 115.57 3hf9 s TYR 8 Ca 0.38 -0.88 -0.28 0.00 -0.52 0.00 0.00 57.07 55.77 3hf9 s TYR 8 Cb -0.21 -1.61 -0.02 0.00 0.38 0.00 0.00 41.96 40.50 3hf9 s TYR 8 CO 0.24 0.25 1.79 -2.14 -1.52 0.00 0.00 175.55 174.16 3hf9 s PRO 9 N -3.80 3.38 0.00 -3.49 0.02 -1.26 -2.26 135.00 127.58 3hf9 s PRO 9 Ca 0.20 1.46 0.00 0.00 0.02 0.00 0.00 61.00 62.69 3hf9 s PRO 9 Cb 0.05 -4.19 0.00 0.00 0.02 0.00 0.00 34.50 30.39 3hf9 s PRO 9 CO 0.10 -1.80 0.00 0.41 -0.33 0.00 0.00 177.00 175.38 3hf9 n GLY 10 N 5.37 0.56 0.00 0.52 0.00 0.84 -4.74 105.19 107.74 3hf9 n GLY 10 Ca 0.23 0.00 0.00 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 -1.55 0.89 3.16 -0.02 0.00 -0.96 -3.99 105.19 102.72 3hf9 n GLY 11 Ca 0.00 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.26 0.86 0.04 1.61 -7.23 -0.59 -1.70 120.40 111.13 3hf9 s VAL 12 Ca 0.00 -1.58 0.07 0.00 -1.81 0.00 0.00 61.98 58.66 3hf9 s VAL 12 Cb 0.00 -1.28 -0.03 0.00 0.56 0.00 0.00 36.38 35.64 3hf9 s VAL 12 CO 0.00 -0.56 -0.20 0.54 -0.31 0.00 0.00 175.10 174.57 3hf9 s VAL 13 N -2.38 1.64 -0.01 1.32 0.11 0.17 -0.99 120.40 120.26 3hf9 s VAL 13 Ca 0.04 -1.19 0.02 0.00 -2.93 0.00 0.00 61.98 57.91 3hf9 s VAL 13 Cb -0.03 -1.43 -0.00 0.00 -1.53 0.00 0.00 36.38 33.38 3hf9 s VAL 13 CO -0.00 0.19 -0.07 -0.32 -3.33 0.00 0.00 175.10 171.57 3hf9 s MET 14 N -1.18 0.55 0.06 1.54 1.75 -0.28 -1.23 119.30 120.51 3hf9 s MET 14 Ca 0.07 -0.23 -0.08 0.00 -1.25 0.00 0.00 55.69 54.19 3hf9 s MET 14 Cb -0.09 -0.53 -0.00 0.00 2.84 0.00 0.00 34.83 37.05 3hf9 s MET 14 CO 0.02 0.14 0.17 0.00 -0.65 0.00 0.00 175.02 174.70 3hf9 s ALA 15 N -0.13 -0.24 -0.16 4.11 0.00 0.18 -0.70 121.76 124.82 3hf9 s ALA 15 Ca 0.02 -0.49 -0.21 0.00 0.00 0.00 0.00 51.96 51.28 3hf9 s ALA 15 Cb -0.03 0.36 0.05 0.00 0.00 0.00 0.00 23.12 23.51 3hf9 s ALA 15 CO -0.00 -0.42 0.56 0.20 0.00 0.00 0.00 175.76 176.10 3hf9 s GLY 16 N -2.45 -0.42 1.13 0.00 0.00 -0.44 -0.67 107.32 104.46 3hf9 s GLY 16 Ca -0.00 1.40 -0.18 0.00 0.00 0.00 0.00 44.72 45.94 3hf9 s GLY 16 CO -0.07 1.16 1.15 0.51 0.00 0.00 0.00 173.10 175.85 3hf9 s ASP 17 N -0.17 1.60 0.00 1.64 3.84 -1.07 -1.67 116.67 120.84 3hf9 s ASP 17 Ca -0.04 0.61 0.05 0.00 -0.00 0.00 0.00 52.55 53.18 3hf9 s ASP 17 Cb -0.03 -0.87 0.05 0.00 -1.38 0.00 0.00 42.92 40.69 3hf9 s ASP 17 CO 0.03 -3.70 0.72 0.54 -0.00 0.00 0.00 175.17 172.75 3hf9 n ARG 18 N -4.48 0.13 -2.50 2.11 5.12 -1.26 -4.57 116.66 111.22 3hf9 n ARG 18 Ca 0.13 -0.92 -0.30 0.00 -1.93 0.00 0.00 57.85 54.82 3hf9 n ARG 18 Cb 0.59 -1.10 -0.02 0.00 -1.16 0.00 0.00 32.46 30.78 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 -0.49 3.74 -0.14 5.56 6.06 -1.26 -1.94 118.95 130.48 3hf9 s ARG 19 Ca 0.06 0.60 -0.12 0.00 -2.50 0.00 0.00 55.73 53.78 3hf9 s ARG 19 Cb 0.04 -2.26 0.04 0.00 0.06 0.00 0.00 34.95 32.83 3hf9 s ARG 19 CO 0.06 -0.24 0.36 -1.54 -2.50 0.00 0.00 175.30 171.45 3hf9 s SER 20 N -3.51 -0.39 0.20 -2.12 1.04 -0.80 -4.85 113.70 103.27 3hf9 s SER 20 Ca 0.53 0.74 0.11 0.00 0.48 0.00 0.00 55.95 57.81 3hf9 s SER 20 Cb -0.10 0.73 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 3hf9 s SER 20 CO 0.38 -0.14 -0.19 0.42 0.98 0.00 0.00 173.24 174.69 3hf9 s THR 21 N 0.43 2.61 -0.63 2.02 -4.23 -1.26 -0.96 115.64 113.63 3hf9 s THR 21 Ca -0.02 -1.96 0.04 0.00 -1.18 0.00 0.00 61.69 58.58 3hf9 s THR 21 Cb -0.04 -2.28 0.15 0.00 1.34 0.00 0.00 72.50 71.68 3hf9 s THR 21 CO -0.02 -0.14 0.39 -1.58 -0.54 0.00 0.00 174.62 172.73 3hf9 s GLN 22 N -2.80 2.26 7.80 3.99 0.74 -0.35 -4.83 119.66 126.48 3hf9 s GLN 22 Ca 0.23 -3.04 0.00 0.00 0.05 0.00 0.00 55.36 52.60 3hf9 s GLN 22 Cb -0.08 -3.39 0.00 0.00 1.10 0.00 0.00 33.01 30.65 3hf9 s GLN 22 CO 0.12 -1.21 0.00 0.41 -0.55 0.00 0.00 175.29 174.06 3hf9 n GLY 23 N 2.47 2.12 0.11 2.59 0.00 -1.26 -3.07 105.19 108.14 3hf9 n GLY 23 Ca 0.13 -0.47 0.03 0.00 0.00 0.00 0.00 46.02 45.72 3hf9 n GLY 23 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3hf9 h ASN 24 N 0.00 0.00 -3.85 1.61 2.35 -2.02 -3.47 115.58 110.20 3hf9 h ASN 24 Ca 0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 3hf9 h ASN 24 Cb 0.00 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.41 3hf9 h ASN 24 CO 0.00 0.41 0.53 -0.04 -1.65 0.00 0.00 177.43 176.68 3hf9 s MET 25 N -3.05 4.49 -0.35 0.81 -1.94 -1.18 -4.98 119.30 113.10 3hf9 s MET 25 Ca -0.01 1.94 -0.25 0.00 -1.71 0.00 0.00 55.69 55.65 3hf9 s MET 25 Cb 0.09 -3.10 0.01 0.00 2.01 0.00 0.00 34.83 33.84 3hf9 s MET 25 CO 0.79 0.03 0.90 0.42 -0.01 0.00 0.00 175.02 177.15 3hf9 s ILE 26 N -1.18 4.63 -1.71 2.53 1.01 -1.26 -1.22 121.20 124.00 3hf9 s ILE 26 Ca 0.47 1.22 0.21 0.00 0.00 0.00 0.00 60.65 62.56 3hf9 s ILE 26 Cb -0.34 -4.29 -0.07 0.00 0.01 0.00 0.00 42.46 37.77 3hf9 s ILE 26 CO 0.45 -0.46 1.01 -1.54 0.00 0.00 0.00 174.94 174.40 3hf9 n SER 27 N 6.63 1.72 -3.63 3.58 3.41 -0.13 -4.92 113.62 120.28 3hf9 n SER 27 Ca 0.07 -1.36 -0.11 0.00 -0.26 0.00 0.00 58.87 57.20 3hf9 n SER 27 Cb 0.48 0.62 -0.07 0.00 -0.26 0.00 0.00 64.21 64.97 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 -2.55 -0.41 0.00 5.00 0.00 -0.93 -4.94 107.32 103.49 3hf9 s GLY 28 Ca 0.15 2.32 0.02 0.00 0.00 0.00 0.00 44.72 47.21 3hf9 s GLY 28 CO 0.63 1.88 0.28 0.54 0.00 0.00 0.00 173.10 176.43 3hf9 n ARG 29 N 2.75 3.38 0.00 2.90 1.74 -1.25 -1.90 116.66 124.29 3hf9 n ARG 29 Ca -0.14 -0.26 0.03 0.00 -0.77 0.00 0.00 57.85 56.71 3hf9 n ARG 29 Cb 0.56 -0.78 0.01 0.00 -1.02 0.00 0.00 32.46 31.23 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 -0.55 1.16 -4.67 0.55 5.68 -1.13 -4.58 116.55 113.02 3hf9 n ASP 30 Ca 0.01 -1.08 -0.44 0.00 -0.50 0.00 0.00 54.79 52.77 3hf9 n ASP 30 Cb 0.04 0.31 -0.04 0.00 -1.14 0.00 0.00 41.12 40.29 3hf9 n ASP 30 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 3hf9 n VAL 31 N -0.09 0.64 -3.19 2.12 0.31 -0.82 -4.98 118.33 112.31 3hf9 n VAL 31 Ca 0.03 -0.11 -0.39 0.00 -0.01 0.00 0.00 64.34 63.85 3hf9 n VAL 31 Cb 0.15 -2.12 -0.06 0.00 -0.91 0.00 0.00 33.84 30.89 3hf9 n VAL 31 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3hf9 s ARG 32 N 4.03 4.23 -0.01 5.55 0.52 -1.26 -4.33 118.95 127.68 3hf9 s ARG 32 Ca 0.89 0.53 0.09 0.00 -0.52 0.00 0.00 55.73 56.71 3hf9 s ARG 32 Cb -0.54 -3.55 -0.12 0.00 0.52 0.00 0.00 34.95 31.27 3hf9 s ARG 32 CO 0.45 -0.14 0.26 1.63 0.02 0.00 0.00 175.30 177.51 3hf9 n LYS 33 N 4.73 1.87 -4.27 3.54 5.02 -1.26 -4.73 118.16 123.06 3hf9 n LYS 33 Ca -0.03 -0.05 -0.34 0.00 -2.02 0.00 0.00 58.31 55.87 3hf9 n LYS 33 Cb 0.50 -1.08 -0.14 0.00 -0.02 0.00 0.00 35.03 34.30 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 -2.27 3.46 0.12 -0.18 1.01 -1.26 -2.69 120.40 118.58 3hf9 s VAL 34 Ca -0.01 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.52 3hf9 s VAL 34 Cb 0.06 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 3hf9 s VAL 34 CO 0.35 0.47 -0.09 -0.31 0.00 0.00 0.00 175.10 175.51 3hf9 s TYR 35 N 0.88 1.13 -0.40 5.22 1.51 -0.63 -4.97 117.35 120.08 3hf9 s TYR 35 Ca -0.01 -0.75 -0.17 0.00 -1.01 0.00 0.00 57.07 55.12 3hf9 s TYR 35 Cb -0.15 -0.60 0.01 0.00 -0.11 0.00 0.00 41.96 41.12 3hf9 s TYR 35 CO 0.01 0.01 0.43 0.42 -1.11 0.00 0.00 175.55 175.31 3hf9 s ILE 36 N -3.10 5.10 0.16 2.71 1.01 -1.26 -0.83 121.20 124.99 3hf9 s ILE 36 Ca 0.12 -0.24 -0.11 0.00 0.00 0.00 0.00 60.65 60.42 3hf9 s ILE 36 Cb 0.01 -4.00 0.03 0.00 0.01 0.00 0.00 42.46 38.52 3hf9 s ILE 36 CO -0.01 -0.35 1.61 0.71 0.00 0.00 0.00 174.94 176.90 3hf9 h THR 37 N 5.69 1.26 -3.16 2.92 1.35 -1.42 -3.48 112.91 116.08 3hf9 h THR 37 Ca -0.27 -1.12 -0.12 0.00 -0.55 0.00 0.00 66.41 64.35 3hf9 h THR 37 Cb 1.12 0.93 -0.02 0.00 -1.73 0.00 0.00 68.15 68.45 3hf9 h THR 37 CO 0.77 0.40 0.03 -0.90 -0.25 0.00 0.00 175.52 175.58 3hf9 n ASP 38 N -4.27 -1.34 -0.36 5.36 5.68 -0.75 -4.43 116.55 116.43 3hf9 n ASP 38 Ca 0.01 -2.32 0.01 0.00 -0.50 0.00 0.00 54.79 52.00 3hf9 n ASP 38 Cb 0.33 2.35 0.15 0.00 -1.14 0.00 0.00 41.12 42.81 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 1.48 1.05 -0.39 -1.12 3.32 -1.92 -2.98 116.42 115.86 3hf9 h ASP 39 Ca -0.23 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.82 3hf9 h ASP 39 Cb 0.91 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.23 3hf9 h ASP 39 CO 0.30 0.70 0.00 -1.22 -1.72 0.00 0.00 179.24 177.29 3hf9 n TYR 40 N -4.48 0.51 -3.96 4.55 0.53 -1.26 -0.02 117.16 113.03 3hf9 n TYR 40 Ca 0.14 -0.33 -0.09 0.00 -1.02 0.00 0.00 57.90 56.60 3hf9 n TYR 40 Cb 0.13 -0.01 -0.09 0.00 -1.03 0.00 0.00 39.34 38.34 3hf9 n TYR 40 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 3hf9 s THR 41 N -1.20 0.15 0.05 -0.72 -4.23 -1.13 -0.42 115.64 108.14 3hf9 s THR 41 Ca 0.33 -1.20 -0.11 0.00 -1.18 0.00 0.00 61.69 59.54 3hf9 s THR 41 Cb 0.19 -0.95 0.01 0.00 1.34 0.00 0.00 72.50 73.09 3hf9 s THR 41 CO 0.26 -0.66 0.24 0.00 -0.54 0.00 0.00 174.62 173.92 3hf9 s ALA 42 N -2.76 -0.48 -0.02 3.99 0.00 -0.18 -1.08 121.76 121.23 3hf9 s ALA 42 Ca -0.04 -0.19 0.04 0.00 0.00 0.00 0.00 51.96 51.78 3hf9 s ALA 42 Cb -0.00 0.32 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 3hf9 s ALA 42 CO -0.05 -0.40 -0.15 0.95 0.00 0.00 0.00 175.76 176.11 3hf9 s THR 43 N -2.68 1.20 -0.04 0.00 -4.23 -0.01 -1.46 115.64 108.42 3hf9 s THR 43 Ca -0.04 -0.64 0.05 0.00 -1.18 0.00 0.00 61.69 59.89 3hf9 s THR 43 Cb -0.00 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.81 3hf9 s THR 43 CO -0.04 0.34 -0.20 -0.83 -0.54 0.00 0.00 174.62 173.35 3hf9 s GLY 44 N -0.27 1.40 -0.07 3.99 0.00 -0.51 -1.61 107.32 110.26 3hf9 s GLY 44 Ca 0.04 -1.04 0.04 0.00 0.00 0.00 0.00 44.72 43.76 3hf9 s GLY 44 CO -0.00 -0.79 -0.18 -0.42 0.00 0.00 0.00 173.10 171.71 3hf9 s ILE 45 N -0.56 1.55 -1.46 0.90 1.09 -1.10 -0.89 121.20 120.74 3hf9 s ILE 45 Ca 0.08 -0.75 -0.10 0.00 -1.10 0.00 0.00 60.65 58.78 3hf9 s ILE 45 Cb -0.11 -1.36 0.04 0.00 -1.06 0.00 0.00 42.46 39.97 3hf9 s ILE 45 CO 0.01 0.45 2.43 0.00 -0.10 0.00 0.00 174.94 177.72 3hf9 n ALA 46 N 3.44 6.38 -3.02 9.38 0.00 -1.26 -4.81 120.51 130.62 3hf9 n ALA 46 Ca -0.20 -3.88 0.00 0.00 0.00 0.00 0.00 53.44 49.36 3hf9 n ALA 46 Cb 0.52 -3.26 0.00 0.00 0.00 0.00 0.00 19.45 16.72 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 3.29 5.09 3.73 0.00 0.00 -1.26 -4.92 105.19 111.12 3hf9 n GLY 47 Ca 0.60 -1.53 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.08 2.87 0.21 2.61 -4.23 -1.26 -4.83 115.64 109.92 3hf9 s THR 48 Ca 0.00 0.28 -0.09 0.00 -1.18 0.00 0.00 61.69 60.70 3hf9 s THR 48 Cb 0.00 -2.63 0.16 0.00 1.34 0.00 0.00 72.50 71.37 3hf9 s THR 48 CO 0.00 -0.37 1.73 0.00 -0.54 0.00 0.00 174.62 175.44 3hf9 h ALA 49 N -1.43 0.76 -0.32 3.99 0.00 -1.96 -2.55 119.26 117.76 3hf9 h ALA 49 Ca -0.45 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 3hf9 h ALA 49 Cb 1.25 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3hf9 h ALA 49 CO 0.49 -0.25 0.06 0.00 0.00 0.00 0.00 179.25 179.56 3hf9 h ALA 50 N 1.45 0.42 -0.39 0.00 0.00 -1.93 -2.79 119.26 116.03 3hf9 h ALA 50 Ca 0.32 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3hf9 h ALA 50 Cb 0.43 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3hf9 h ALA 50 CO -0.35 0.11 0.25 0.28 0.00 0.00 0.00 179.25 179.53 3hf9 h VAL 51 N 0.36 1.08 -0.66 0.00 2.07 -1.87 0.12 116.25 117.34 3hf9 h VAL 51 Ca 0.10 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.48 3hf9 h VAL 51 Cb 0.33 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 3hf9 h VAL 51 CO 0.00 0.09 0.40 0.00 0.02 0.00 0.00 177.57 178.09 3hf9 h ALA 52 N 1.15 0.87 0.36 1.67 0.00 -1.31 -1.82 119.26 120.18 3hf9 h ALA 52 Ca 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3hf9 h ALA 52 Cb -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3hf9 h ALA 52 CO -0.04 0.13 -0.17 0.28 0.00 0.00 0.00 179.25 179.45 3hf9 h VAL 53 N 0.77 0.00 -1.02 0.00 2.07 -1.23 -2.85 116.25 114.00 3hf9 h VAL 53 Ca 0.28 -0.61 0.26 0.00 0.82 0.00 0.00 66.70 67.45 3hf9 h VAL 53 Cb 0.07 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.72 3hf9 h VAL 53 CO -0.13 0.00 0.61 -0.33 0.02 0.00 0.00 177.57 177.74 3hf9 h GLU 54 N -1.09 0.49 0.23 1.57 4.39 -0.78 0.40 114.58 119.79 3hf9 h GLU 54 Ca -0.05 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 3hf9 h GLU 54 Cb 0.37 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3hf9 h GLU 54 CO 0.08 0.33 -0.11 0.35 -1.16 0.00 0.00 179.01 178.50 3hf9 h PHE 55 N 0.51 -0.28 -0.24 4.33 3.04 -1.43 -2.20 116.94 120.66 3hf9 h PHE 55 Ca 0.65 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.65 3hf9 h PHE 55 Cb 1.36 0.09 -0.05 0.00 2.56 0.00 0.00 35.95 39.91 3hf9 h PHE 55 CO -0.01 0.10 -0.11 0.00 -2.02 0.00 0.00 178.31 176.27 3hf9 h ALA 56 N -0.20 0.09 -0.42 2.41 0.00 -0.95 -0.54 119.26 119.65 3hf9 h ALA 56 Ca -0.03 0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.06 3hf9 h ALA 56 Cb 0.51 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 18.48 3hf9 h ALA 56 CO 0.05 -0.52 -0.31 -0.09 0.00 0.00 0.00 179.25 178.38 3hf9 h ARG 57 N -0.08 -0.22 -0.24 0.00 2.43 -0.31 0.32 114.38 116.28 3hf9 h ARG 57 Ca 0.13 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.36 3hf9 h ARG 57 Cb 0.27 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.83 3hf9 h ARG 57 CO -0.29 -0.15 -0.06 1.25 -1.51 0.00 0.00 179.97 179.21 3hf9 h LEU 58 N -0.23 -0.22 -0.57 3.80 5.85 -0.91 -1.61 115.31 121.42 3hf9 h LEU 58 Ca 0.18 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 3hf9 h LEU 58 Cb 0.53 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 3hf9 h LEU 58 CO -0.55 -0.08 0.35 0.22 -0.34 0.00 0.00 178.44 178.05 3hf9 h TYR 59 N 0.00 0.75 -0.65 1.25 3.20 -0.01 -1.82 116.97 119.70 3hf9 h TYR 59 Ca 0.11 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 3hf9 h TYR 59 Cb 0.17 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 3hf9 h TYR 59 CO -0.24 0.51 0.36 0.00 -1.64 0.00 0.00 178.16 177.15 3hf9 h ALA 60 N 1.18 0.84 -0.21 1.82 0.00 -0.06 -1.11 119.26 121.70 3hf9 h ALA 60 Ca 0.21 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3hf9 h ALA 60 Cb -0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3hf9 h ALA 60 CO -0.04 0.35 0.02 0.28 0.00 0.00 0.00 179.25 179.86 3hf9 h VAL 61 N 0.89 0.87 -0.09 0.00 2.07 -1.04 -1.86 116.25 117.09 3hf9 h VAL 61 Ca 0.23 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.75 3hf9 h VAL 61 Cb 0.03 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3hf9 h VAL 61 CO -0.04 0.02 -0.10 -0.33 0.02 0.00 0.00 177.57 177.14 3hf9 h GLU 62 N 0.09 -0.13 -0.26 1.57 5.08 -0.54 0.31 114.58 120.71 3hf9 h GLU 62 Ca 0.10 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.52 3hf9 h GLU 62 Cb 0.11 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 3hf9 h GLU 62 CO -0.15 -0.08 -0.03 -0.07 -1.00 0.00 0.00 179.01 177.67 3hf9 h LEU 63 N -0.13 -0.17 -0.28 1.33 3.38 -1.11 -1.43 115.31 116.89 3hf9 h LEU 63 Ca 0.07 0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.97 3hf9 h LEU 63 Cb 0.23 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3hf9 h LEU 63 CO -0.17 -0.06 -0.37 -0.08 0.09 0.00 0.00 178.44 177.85 3hf9 h GLU 64 N 0.03 0.74 -0.65 1.13 4.81 -1.12 -2.46 114.58 117.07 3hf9 h GLU 64 Ca 0.12 -0.43 0.13 0.00 -0.13 0.00 0.00 59.36 59.06 3hf9 h GLU 64 Cb 0.17 0.03 -0.12 0.00 0.63 0.00 0.00 28.75 29.46 3hf9 h GLU 64 CO -0.24 1.05 -0.18 1.25 -0.73 0.00 0.00 179.01 180.17 3hf9 h HIS 65 N 0.49 -0.40 -0.40 0.92 2.76 -0.13 0.24 115.15 118.63 3hf9 h HIS 65 Ca 0.03 0.06 0.02 0.00 -2.20 0.00 0.00 60.37 58.28 3hf9 h HIS 65 Cb 0.96 0.28 -0.03 0.00 1.55 0.00 0.00 27.41 30.17 3hf9 h HIS 65 CO 0.08 -0.29 0.23 -0.92 -1.30 0.00 0.00 177.93 175.72 3hf9 h TYR 66 N -0.02 0.43 -0.56 5.26 3.20 -1.12 -2.07 116.97 122.10 3hf9 h TYR 66 Ca 0.31 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.20 3hf9 h TYR 66 Cb 0.49 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 3hf9 h TYR 66 CO -0.54 0.25 0.36 1.49 -1.64 0.00 0.00 178.16 178.08 3hf9 h GLU 67 N 0.47 0.74 -0.75 1.82 4.81 -0.71 0.63 114.58 121.59 3hf9 h GLU 67 Ca 0.16 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 3hf9 h GLU 67 Cb 0.01 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 3hf9 h GLU 67 CO -0.07 0.50 0.31 0.87 -0.73 0.00 0.00 179.01 179.89 3hf9 h LYS 68 N 0.76 1.10 -0.37 1.92 1.57 -0.90 0.27 116.57 120.91 3hf9 h LYS 68 Ca 0.20 -0.18 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 3hf9 h LYS 68 Cb -0.07 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 3hf9 h LYS 68 CO -0.04 0.88 -0.31 -0.07 -0.57 0.00 0.00 179.45 179.34 3hf9 h LEU 69 N 1.08 0.92 -0.90 2.94 3.38 -0.88 -3.36 115.31 118.49 3hf9 h LEU 69 Ca 0.25 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3hf9 h LEU 69 Cb 0.19 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3hf9 h LEU 69 CO -0.02 1.18 -0.24 -0.62 0.09 0.00 0.00 178.44 178.82 3hf9 n GLU 70 N -4.14 1.76 0.00 1.13 -0.58 0.17 -4.99 120.64 113.99 3hf9 n GLU 70 Ca -0.02 -0.78 0.00 0.00 -0.42 0.00 0.00 57.16 55.94 3hf9 n GLU 70 Cb 0.50 -1.19 0.00 0.00 -0.57 0.00 0.00 31.44 30.18 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 1.00 2.85 3.29 0.62 0.00 0.92 -4.97 105.19 108.90 3hf9 n GLY 71 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.43 1.23 0.62 1.61 -7.23 -1.24 -4.94 120.40 109.02 3hf9 s VAL 72 Ca 0.00 -2.08 -0.15 0.00 -1.81 0.00 0.00 61.98 57.94 3hf9 s VAL 72 Cb 0.00 -2.04 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 3hf9 s VAL 72 CO 0.00 -0.59 1.07 -2.84 -0.31 0.00 0.00 175.10 172.43 3hf9 s PRO 73 N -3.76 3.12 0.77 4.82 0.02 -1.26 -4.00 135.00 134.70 3hf9 s PRO 73 Ca 0.21 1.24 -0.14 0.00 0.02 0.00 0.00 61.00 62.33 3hf9 s PRO 73 Cb 0.03 -2.00 0.06 0.00 0.02 0.00 0.00 34.50 32.61 3hf9 s PRO 73 CO 0.04 -0.98 1.23 -0.51 -0.33 0.00 0.00 177.00 176.45 3hf9 s LEU 74 N -4.71 3.24 0.90 -5.54 1.43 -1.26 -5.01 118.68 107.73 3hf9 s LEU 74 Ca 0.64 2.44 -0.12 0.00 -1.03 0.00 0.00 54.13 56.07 3hf9 s LEU 74 Cb -0.17 -4.60 0.13 0.00 0.03 0.00 0.00 46.19 41.58 3hf9 s LEU 74 CO 0.40 -2.54 1.09 0.42 0.23 0.00 0.00 176.35 175.96 3hf9 s THR 75 N -1.96 2.58 0.18 5.49 -4.23 -1.26 -4.72 115.64 111.73 3hf9 s THR 75 Ca 0.76 0.19 -0.13 0.00 -1.18 0.00 0.00 61.69 61.33 3hf9 s THR 75 Cb -0.31 -2.71 0.08 0.00 1.34 0.00 0.00 72.50 70.90 3hf9 s THR 75 CO 0.48 -0.24 1.78 0.15 -0.54 0.00 0.00 174.62 176.25 3hf9 h PHE 76 N -1.55 0.46 -0.75 3.99 3.57 -1.96 -0.48 116.94 120.21 3hf9 h PHE 76 Ca -0.50 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.16 3hf9 h PHE 76 Cb 1.29 -0.13 -0.09 0.00 2.79 0.00 0.00 35.95 39.81 3hf9 h PHE 76 CO 0.40 0.22 0.30 0.00 -2.23 0.00 0.00 178.31 177.00 3hf9 h ALA 77 N 1.28 1.06 -0.29 2.41 0.00 -1.99 -0.56 119.26 121.16 3hf9 h ALA 77 Ca 0.23 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.28 3hf9 h ALA 77 Cb 0.15 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3hf9 h ALA 77 CO -0.17 -0.21 0.10 0.78 0.00 0.00 0.00 179.25 179.75 3hf9 h GLY 78 N 0.44 0.36 0.37 0.00 0.00 -1.48 0.60 103.07 103.37 3hf9 h GLY 78 Ca 0.41 -0.06 0.07 0.00 0.00 0.00 0.00 47.33 47.76 3hf9 h GLY 78 CO -0.40 0.03 0.02 0.50 0.00 0.00 0.00 176.54 176.69 3hf9 h LYS 79 N 0.23 0.13 -0.38 4.80 1.57 -0.06 -1.39 116.57 121.47 3hf9 h LYS 79 Ca 0.13 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3hf9 h LYS 79 Cb 0.10 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3hf9 h LYS 79 CO -0.14 0.09 0.25 0.82 -0.57 0.00 0.00 179.45 179.89 3hf9 h ILE 80 N 0.13 1.09 0.03 1.86 2.04 -0.61 -1.42 117.51 120.63 3hf9 h ILE 80 Ca 0.21 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.92 3hf9 h ILE 80 Cb 0.29 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 3hf9 h ILE 80 CO -0.32 0.09 -0.28 -1.13 0.00 0.00 0.00 178.15 176.51 3hf9 h ASN 81 N 0.51 -0.83 -0.94 1.72 -1.24 -0.12 0.59 115.58 115.26 3hf9 h ASN 81 Ca 0.14 0.11 0.05 0.00 0.71 0.00 0.00 56.30 57.31 3hf9 h ASN 81 Cb -0.05 0.33 -0.06 0.00 0.73 0.00 0.00 38.32 39.28 3hf9 h ASN 81 CO -0.04 -0.36 0.60 0.03 -1.29 0.00 0.00 177.43 176.38 3hf9 h ARG 82 N -0.45 1.11 -0.05 6.67 2.47 -1.14 0.26 114.38 123.25 3hf9 h ARG 82 Ca 0.05 -0.07 0.03 0.00 -1.26 0.00 0.00 59.98 58.74 3hf9 h ARG 82 Cb 0.52 -0.25 -0.04 0.00 -1.65 0.00 0.00 29.97 28.55 3hf9 h ARG 82 CO -0.22 0.73 -0.17 1.25 0.56 0.00 0.00 179.97 182.11 3hf9 h LEU 83 N 1.14 -0.52 -0.66 3.04 6.46 -0.56 -1.24 115.31 122.98 3hf9 h LEU 83 Ca 0.39 0.08 -0.06 0.00 -0.12 0.00 0.00 57.88 58.17 3hf9 h LEU 83 Cb 0.07 0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.20 3hf9 h LEU 83 CO -0.14 -0.23 0.17 0.00 -0.62 0.00 0.00 178.44 177.62 3hf9 h ALA 84 N 0.71 0.87 -0.65 1.25 0.00 0.32 0.18 119.26 121.93 3hf9 h ALA 84 Ca 0.07 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.80 3hf9 h ALA 84 Cb 0.36 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3hf9 h ALA 84 CO -0.20 0.57 0.37 0.82 0.00 0.00 0.00 179.25 180.81 3hf9 h ILE 85 N 0.97 1.00 -0.47 0.00 2.04 -0.85 0.14 117.51 120.35 3hf9 h ILE 85 Ca 0.21 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 3hf9 h ILE 85 Cb 0.35 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3hf9 h ILE 85 CO 0.00 0.13 0.20 -0.03 0.00 0.00 0.00 178.15 178.45 3hf9 h MET 86 N 0.70 0.69 -0.08 2.37 4.05 0.07 -0.19 114.93 122.54 3hf9 h MET 86 Ca 0.28 -0.11 -0.00 0.00 -0.28 0.00 0.00 59.70 59.59 3hf9 h MET 86 Cb 0.13 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 30.81 3hf9 h MET 86 CO -0.15 0.60 0.04 0.28 0.23 0.00 0.00 176.91 177.91 3hf9 h VAL 87 N 0.61 1.08 -0.02 -5.77 2.07 -0.23 -2.46 116.25 111.53 3hf9 h VAL 87 Ca 0.16 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 3hf9 h VAL 87 Cb 0.16 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3hf9 h VAL 87 CO -0.02 0.06 -0.13 0.03 0.02 0.00 0.00 177.57 177.54 3hf9 h ARG 88 N 0.04 0.03 -0.85 1.57 3.08 -0.87 -2.27 114.38 115.11 3hf9 h ARG 88 Ca 0.03 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3hf9 h ARG 88 Cb 0.07 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 3hf9 h ARG 88 CO -0.00 0.16 0.45 0.78 -1.07 0.00 0.00 179.97 180.29 3hf9 h GLY 89 N 0.45 1.27 1.49 0.04 0.00 -0.59 -2.70 103.07 103.03 3hf9 h GLY 89 Ca 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.76 3hf9 h GLY 89 CO 0.02 0.55 -0.50 3.43 0.00 0.00 0.00 176.54 180.04 3hf9 h ASN 90 N 1.19 0.00 0.83 0.19 2.35 -1.02 -3.15 115.58 115.97 3hf9 h ASN 90 Ca 0.30 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 3hf9 h ASN 90 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3hf9 h ASN 90 CO -0.05 0.00 -0.15 0.18 -1.65 0.00 0.00 177.43 175.76 3hf9 n LEU 91 N -2.85 0.16 0.15 1.61 4.77 -0.99 -2.03 117.00 117.83 3hf9 n LEU 91 Ca 0.02 0.34 -0.00 0.00 -0.03 0.00 0.00 56.01 56.34 3hf9 n LEU 91 Cb 0.53 -0.42 0.22 0.00 -2.33 0.00 0.00 43.42 41.43 3hf9 n LEU 91 CO 0.37 0.04 0.56 0.00 -1.33 0.00 0.00 177.39 177.02 3hf9 h ALA 92 N 3.01 1.09 0.00 -1.18 0.00 -1.44 -3.51 119.26 117.23 3hf9 h ALA 92 Ca 0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 3hf9 h ALA 92 Cb 0.50 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3hf9 h ALA 92 CO 0.00 0.69 -0.46 0.00 0.00 0.00 0.00 179.25 179.48 3hf9 h ALA 93 N 1.45 0.00 -1.90 0.00 0.00 -1.52 -3.52 119.26 113.76 3hf9 h ALA 93 Ca -0.01 -0.46 -0.56 0.00 0.00 0.00 0.00 54.91 53.89 3hf9 h ALA 93 Cb 0.98 0.45 -0.42 0.00 0.00 0.00 0.00 17.79 18.80 3hf9 h ALA 93 CO 0.07 0.45 -0.79 1.28 0.00 0.00 0.00 179.25 180.26 3hf9 n LEU 99 N -4.63 3.82 -4.40 0.00 4.77 -1.26 -5.14 117.00 110.16 3hf9 n LEU 99 Ca -0.07 -5.28 -0.44 0.00 -0.03 0.00 0.00 56.01 50.19 3hf9 n LEU 99 Cb 0.24 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 41.02 3hf9 n LEU 99 CO 0.10 2.24 0.62 0.00 -1.33 0.00 0.00 177.39 179.02 3hf9 s ALA 100 N -3.33 3.41 -0.31 -1.18 0.00 -1.26 -5.03 121.76 114.06 3hf9 s ALA 100 Ca 0.46 -2.40 -0.13 0.00 0.00 0.00 0.00 51.96 49.88 3hf9 s ALA 100 Cb 0.34 -3.73 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 3hf9 s ALA 100 CO -0.13 -2.59 0.28 -0.51 0.00 0.00 0.00 175.76 172.81 3hf9 s LEU 101 N 2.70 4.28 0.73 0.00 2.01 -1.26 -5.00 118.68 122.14 3hf9 s LEU 101 Ca 0.20 -0.15 -0.11 0.00 0.01 0.00 0.00 54.13 54.08 3hf9 s LEU 101 Cb -0.16 -2.23 0.03 0.00 0.01 0.00 0.00 46.19 43.83 3hf9 s LEU 101 CO 0.01 -0.20 1.07 -2.84 1.01 0.00 0.00 176.35 175.40 3hf9 s PRO 102 N 1.87 2.68 -0.09 1.29 0.02 -1.26 -4.36 135.00 135.14 3hf9 s PRO 102 Ca 0.09 0.81 0.00 0.00 0.02 0.00 0.00 61.00 61.93 3hf9 s PRO 102 Cb -0.17 -1.97 0.02 0.00 0.02 0.00 0.00 34.50 32.41 3hf9 s PRO 102 CO 0.11 -1.25 -0.07 -1.17 -0.33 0.00 0.00 177.00 174.30 3hf9 s LEU 103 N -5.60 1.17 -0.16 -5.54 0.20 -0.07 -3.02 118.68 105.66 3hf9 s LEU 103 Ca 0.59 -0.24 -0.04 0.00 0.69 0.00 0.00 54.13 55.13 3hf9 s LEU 103 Cb -0.14 -0.72 -0.02 0.00 -0.43 0.00 0.00 46.19 44.88 3hf9 s LEU 103 CO 0.55 -0.10 -0.04 -0.22 -0.29 0.00 0.00 176.35 176.25 3hf9 s LEU 104 N 1.48 3.18 -0.07 -0.68 2.96 0.16 -1.42 118.68 124.29 3hf9 s LEU 104 Ca -0.00 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 3hf9 s LEU 104 Cb -0.13 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 3hf9 s LEU 104 CO -0.05 0.14 -0.16 0.00 -1.32 0.00 0.00 176.35 174.97 3hf9 s ALA 105 N 0.53 2.58 0.24 5.97 0.00 -0.53 -0.63 121.76 129.92 3hf9 s ALA 105 Ca -0.03 -0.97 -0.14 0.00 0.00 0.00 0.00 51.96 50.82 3hf9 s ALA 105 Cb -0.14 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.00 3hf9 s ALA 105 CO 0.03 0.46 0.48 0.20 0.00 0.00 0.00 175.76 176.93 3hf9 s GLY 106 N -0.40 0.42 -0.10 0.00 0.00 -0.30 -1.01 107.32 105.92 3hf9 s GLY 106 Ca 0.04 -0.77 0.03 0.00 0.00 0.00 0.00 44.72 44.02 3hf9 s GLY 106 CO 0.02 -0.57 -0.18 -0.47 0.00 0.00 0.00 173.10 171.90 3hf9 s TYR 107 N -3.99 2.18 -0.53 1.90 5.04 0.45 -0.26 117.35 122.14 3hf9 s TYR 107 Ca 0.20 -0.97 -0.18 0.00 -2.44 0.00 0.00 57.07 53.67 3hf9 s TYR 107 Cb -0.01 -1.52 0.08 0.00 0.35 0.00 0.00 41.96 40.86 3hf9 s TYR 107 CO 0.07 -0.45 0.61 0.34 -1.34 0.00 0.00 175.55 174.77 3hf9 s ASP 108 N 0.72 6.20 0.27 4.32 2.15 -0.48 -4.84 116.67 124.99 3hf9 s ASP 108 Ca -0.12 -1.19 0.01 0.00 0.43 0.00 0.00 52.55 51.69 3hf9 s ASP 108 Cb -0.16 -2.27 0.36 0.00 -0.30 0.00 0.00 42.92 40.54 3hf9 s ASP 108 CO 0.02 -0.93 1.69 0.16 -0.17 0.00 0.00 175.17 175.95 3hf9 h ILE 109 N 5.87 1.27 0.00 4.11 3.07 -1.96 -1.99 117.51 127.89 3hf9 h ILE 109 Ca -0.28 -1.34 0.00 0.00 1.55 0.00 0.00 64.86 64.79 3hf9 h ILE 109 Cb 1.09 1.39 0.00 0.00 -0.27 0.00 0.00 36.82 39.03 3hf9 h ILE 109 CO 1.00 0.42 0.00 1.41 -1.05 0.00 0.00 178.15 179.94 3hf9 n HIS 110 N -4.10 0.00 -2.45 0.16 8.25 -1.26 -4.79 115.22 111.03 3hf9 n HIS 110 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 3hf9 n HIS 110 Cb 0.43 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.44 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 -2.12 3.41 0.12 -1.41 0.00 -0.75 -4.95 121.76 116.06 3hf9 s ALA 111 Ca 0.17 0.91 -0.20 0.00 0.00 0.00 0.00 51.96 52.83 3hf9 s ALA 111 Cb 0.08 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.78 3hf9 s ALA 111 CO 0.15 -0.22 1.75 0.66 0.00 0.00 0.00 175.76 178.09 3hf9 h SER 112 N 4.22 0.05 -3.58 0.00 4.64 -1.89 -3.39 113.55 113.59 3hf9 h SER 112 Ca -0.46 0.02 -0.70 0.00 -0.47 0.00 0.00 61.79 60.17 3hf9 h SER 112 Cb 1.21 0.01 -0.23 0.00 -0.31 0.00 0.00 62.40 63.08 3hf9 h SER 112 CO 0.69 0.05 -0.50 -0.62 -0.87 0.00 0.00 176.83 175.58 3hf9 s ASP 113 N -5.27 5.81 0.49 4.97 3.68 -1.26 -4.97 116.67 120.12 3hf9 s ASP 113 Ca -0.13 -0.88 0.33 0.00 2.13 0.00 0.00 52.55 54.00 3hf9 s ASP 113 Cb 0.08 -2.06 1.47 0.00 -1.45 0.00 0.00 42.92 40.97 3hf9 s ASP 113 CO 0.68 -0.37 1.97 -0.65 0.13 0.00 0.00 175.17 176.94 3hf9 h PRO 114 N 8.47 0.00 -0.34 4.34 0.11 -1.95 -2.94 132.00 139.69 3hf9 h PRO 114 Ca -0.27 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 3hf9 h PRO 114 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3hf9 h PRO 114 CO 0.67 0.00 0.04 1.96 -0.21 0.00 0.00 178.00 180.46 3hf9 h GLN 115 N 0.00 0.58 -1.09 1.05 1.08 -1.93 -3.28 115.11 111.52 3hf9 h GLN 115 Ca 0.00 -0.16 -0.62 0.00 -1.45 0.00 0.00 58.65 56.41 3hf9 h GLN 115 Cb 0.33 -0.06 -0.37 0.00 -0.05 0.00 0.00 27.48 27.33 3hf9 h GLN 115 CO 0.00 0.67 -0.05 -1.13 -0.95 0.00 0.00 178.83 177.37 3hf9 n SER 116 N -4.56 6.07 -0.30 1.46 3.41 -1.12 -0.11 113.62 118.46 3hf9 n SER 116 Ca -0.02 -3.77 0.13 0.00 -0.26 0.00 0.00 58.87 54.96 3hf9 n SER 116 Cb 0.24 -0.64 0.38 0.00 -0.26 0.00 0.00 64.21 63.92 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 -0.72 3.01 -1.76 7.33 0.00 -1.18 -4.87 120.51 122.32 3hf9 n ALA 117 Ca 0.50 -0.42 -0.39 0.00 0.00 0.00 0.00 53.44 53.13 3hf9 n ALA 117 Cb 0.74 -1.12 0.01 0.00 0.00 0.00 0.00 19.45 19.08 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 -2.41 2.90 -0.01 0.00 0.00 -1.26 -1.39 107.32 105.15 3hf9 s GLY 118 Ca 0.26 1.31 0.02 0.00 0.00 0.00 0.00 44.72 46.31 3hf9 s GLY 118 CO 0.49 1.88 -0.06 0.50 0.00 0.00 0.00 173.10 175.90 3hf9 s ARG 119 N -2.52 0.54 -0.07 2.90 1.81 0.64 -4.90 118.95 117.35 3hf9 s ARG 119 Ca 0.63 -0.22 0.02 0.00 -1.72 0.00 0.00 55.73 54.43 3hf9 s ARG 119 Cb -0.40 -0.53 0.02 0.00 -0.45 0.00 0.00 34.95 33.59 3hf9 s ARG 119 CO 0.50 0.12 -0.11 0.42 -0.68 0.00 0.00 175.30 175.55 3hf9 s ILE 120 N -0.08 1.06 -0.07 1.52 1.01 -1.26 -1.15 121.20 122.23 3hf9 s ILE 120 Ca 0.01 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.28 3hf9 s ILE 120 Cb -0.03 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.45 3hf9 s ILE 120 CO -0.00 0.35 -0.12 -0.69 0.00 0.00 0.00 174.94 174.47 3hf9 s VAL 121 N 0.91 1.14 0.33 2.92 1.01 0.20 -1.75 120.40 125.16 3hf9 s VAL 121 Ca -0.10 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.47 3hf9 s VAL 121 Cb -0.15 -1.05 -0.07 0.00 0.00 0.00 0.00 36.38 35.12 3hf9 s VAL 121 CO 0.01 0.36 -0.03 -0.94 0.00 0.00 0.00 175.10 174.50 3hf9 s SER 122 N 0.71 3.13 -0.01 3.32 1.04 -0.47 0.39 113.70 121.81 3hf9 s SER 122 Ca -0.14 -1.27 0.08 0.00 0.48 0.00 0.00 55.95 55.10 3hf9 s SER 122 Cb -0.16 -0.24 -0.02 0.00 0.10 0.00 0.00 66.02 65.70 3hf9 s SER 122 CO 0.03 -0.39 -0.25 -0.36 0.98 0.00 0.00 173.24 173.25 3hf9 s PHE 123 N -2.92 2.37 0.82 5.02 0.40 -1.17 -1.39 117.98 121.10 3hf9 s PHE 123 Ca 0.33 -0.41 -0.08 0.00 -0.60 0.00 0.00 56.93 56.18 3hf9 s PHE 123 Cb 0.06 -1.49 0.15 0.00 0.51 0.00 0.00 43.02 42.25 3hf9 s PHE 123 CO 0.15 0.02 1.13 0.16 0.70 0.00 0.00 175.22 177.38 3hf9 s ASP 124 N -0.77 3.88 0.47 1.36 1.47 -0.59 -4.82 116.67 117.66 3hf9 s ASP 124 Ca 0.11 -0.02 0.23 0.00 1.18 0.00 0.00 52.55 54.04 3hf9 s ASP 124 Cb -0.10 -0.24 1.24 0.00 -0.34 0.00 0.00 42.92 43.48 3hf9 s ASP 124 CO -0.00 -2.20 1.87 0.00 0.68 0.00 0.00 175.17 175.52 3hf9 h ALA 125 N -1.00 2.45 -0.67 2.11 0.00 -2.01 -1.34 119.26 118.80 3hf9 h ALA 125 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3hf9 h ALA 125 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3hf9 h ALA 125 CO 0.41 -0.72 0.00 0.00 0.00 0.00 0.00 179.25 178.94 3hf9 n ALA 126 N -2.59 2.91 -0.96 0.00 0.00 -1.26 -4.94 120.51 113.67 3hf9 n ALA 126 Ca 0.19 -1.48 0.00 0.00 0.00 0.00 0.00 53.44 52.14 3hf9 n ALA 126 Cb 0.79 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 1.28 0.43 3.75 0.00 0.00 -0.50 -4.98 105.19 105.17 3hf9 n GLY 127 Ca 0.25 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.93 2.22 0.70 -0.02 0.00 -1.26 -4.64 107.32 101.39 3hf9 s GLY 128 Ca 0.00 -0.47 -0.11 0.00 0.00 0.00 0.00 44.72 44.14 3hf9 s GLY 128 CO 0.00 0.30 1.09 0.66 0.00 0.00 0.00 173.10 175.15 3hf9 s TRP 129 N 0.16 3.32 -0.25 1.90 1.48 -1.26 -1.55 118.94 122.74 3hf9 s TRP 129 Ca 0.16 1.03 -0.12 0.00 -1.06 0.00 0.00 56.10 56.12 3hf9 s TRP 129 Cb -0.13 -3.06 0.09 0.00 -1.16 0.00 0.00 33.47 29.21 3hf9 s TRP 129 CO 0.04 -1.17 0.59 1.21 -4.06 0.00 0.00 176.95 173.57 3hf9 s ASN 130 N -4.36 -0.83 -0.05 -2.66 3.04 -0.49 -4.90 114.94 104.69 3hf9 s ASN 130 Ca 0.58 1.35 -0.20 0.00 0.04 0.00 0.00 52.86 54.63 3hf9 s ASN 130 Cb -0.11 1.48 -0.05 0.00 -1.54 0.00 0.00 41.25 41.03 3hf9 s ASN 130 CO 0.52 -0.23 0.56 -0.63 -3.04 0.00 0.00 177.10 174.28 3hf9 s ILE 131 N 2.00 5.04 -0.34 -5.21 1.01 -1.26 -1.36 121.20 121.07 3hf9 s ILE 131 Ca -0.08 1.16 -0.22 0.00 0.00 0.00 0.00 60.65 61.50 3hf9 s ILE 131 Cb -0.08 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.49 3hf9 s ILE 131 CO -0.18 0.37 0.73 -1.61 0.00 0.00 0.00 174.94 174.25 3hf9 s GLU 132 N 0.22 3.82 0.00 2.79 0.41 -0.72 -4.88 118.70 120.34 3hf9 s GLU 132 Ca 0.30 0.34 0.16 0.00 -0.41 0.00 0.00 54.97 55.36 3hf9 s GLU 132 Cb -0.17 -3.77 0.15 0.00 -1.78 0.00 0.00 34.13 28.56 3hf9 s GLU 132 CO 0.15 -0.74 1.03 0.39 -0.49 0.00 0.00 175.26 175.60 3hf9 n GLU 133 N 6.21 1.31 0.02 1.61 1.02 -1.26 -4.31 120.64 125.23 3hf9 n GLU 133 Ca 0.02 -1.50 0.13 0.00 -0.02 0.00 0.00 57.16 55.78 3hf9 n GLU 133 Cb 0.48 -1.31 0.36 0.00 -0.02 0.00 0.00 31.44 30.95 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 0.89 0.07 0.00 3.49 1.02 -1.26 -4.96 120.64 119.88 3hf9 n GLU 134 Ca 0.10 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 3hf9 n GLU 134 Cb 0.40 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 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 2.85 3.28 0.62 0.00 -1.26 -5.02 105.19 107.13 3hf9 n GLY 135 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.78 1.46 -0.09 1.61 1.13 -1.26 -0.79 117.35 116.63 3hf9 s TYR 136 Ca 0.00 -1.36 -0.31 0.00 -1.41 0.00 0.00 57.07 53.99 3hf9 s TYR 136 Cb 0.00 -0.76 0.12 0.00 -1.10 0.00 0.00 41.96 40.22 3hf9 s TYR 136 CO 0.00 -0.55 1.00 -1.14 -2.51 0.00 0.00 175.55 172.35 3hf9 s GLN 137 N -3.94 0.63 -0.06 -3.49 2.00 -0.40 -4.93 119.66 109.47 3hf9 s GLN 137 Ca 0.38 -0.13 -0.20 0.00 -2.00 0.00 0.00 55.36 53.40 3hf9 s GLN 137 Cb 0.06 0.29 0.04 0.00 0.80 0.00 0.00 33.01 34.20 3hf9 s GLN 137 CO 0.16 -0.25 0.46 0.00 -0.50 0.00 0.00 175.29 175.15 3hf9 s ALA 138 N -2.38 -1.17 0.09 1.58 0.00 -1.26 -1.11 121.76 117.51 3hf9 s ALA 138 Ca 0.04 0.83 0.01 0.00 0.00 0.00 0.00 51.96 52.85 3hf9 s ALA 138 Cb -0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 3hf9 s ALA 138 CO -0.05 -0.29 -0.06 0.14 0.00 0.00 0.00 175.76 175.50 3hf9 s VAL 139 N -0.99 0.61 0.00 0.00 -7.23 -0.60 -4.88 120.40 107.32 3hf9 s VAL 139 Ca -0.10 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 3hf9 s VAL 139 Cb -0.03 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.30 3hf9 s VAL 139 CO 0.05 -0.87 0.00 0.61 -0.31 0.00 0.00 175.10 174.58 3hf9 n GLY 140 N 0.05 -2.60 0.22 2.32 0.00 -1.26 -1.39 105.19 102.53 3hf9 n GLY 140 Ca -0.13 -2.16 -0.02 0.00 0.00 0.00 0.00 46.02 43.71 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 0.36 -0.39 1.61 4.64 -1.96 -1.26 113.55 116.55 3hf9 h SER 141 Ca 0.00 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3hf9 h SER 141 Cb 0.00 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3hf9 h SER 141 CO 0.00 0.65 0.00 0.61 -0.87 0.00 0.00 176.83 177.22 3hf9 n GLY 142 N -0.38 0.93 0.37 -0.77 0.00 -1.26 -4.48 105.19 99.60 3hf9 n GLY 142 Ca -0.01 -0.43 0.06 0.00 0.00 0.00 0.00 46.02 45.64 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 2.29 0.86 -0.40 1.61 4.64 -1.44 -2.13 113.55 118.98 3hf9 h SER 143 Ca 0.00 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3hf9 h SER 143 Cb 0.57 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 3hf9 h SER 143 CO 0.02 0.51 0.20 -0.07 -0.87 0.00 0.00 176.83 176.62 3hf9 h LEU 144 N 0.95 0.53 -0.44 5.97 3.38 -1.81 -0.14 115.31 123.74 3hf9 h LEU 144 Ca 0.42 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 58.11 3hf9 h LEU 144 Cb 0.35 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3hf9 h LEU 144 CO -0.18 0.50 -0.43 -0.26 0.09 0.00 0.00 178.44 178.16 3hf9 h PHE 145 N 0.51 1.00 0.17 1.13 0.04 -1.76 -1.76 116.94 116.27 3hf9 h PHE 145 Ca 0.14 -0.31 -0.01 0.00 2.80 0.00 0.00 57.97 60.59 3hf9 h PHE 145 Cb 0.11 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.06 3hf9 h PHE 145 CO -0.01 1.11 -0.08 0.00 -0.60 0.00 0.00 178.31 178.72 3hf9 h ALA 146 N 0.84 -0.23 -0.56 2.45 0.00 -1.15 -0.20 119.26 120.42 3hf9 h ALA 146 Ca 0.05 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.93 3hf9 h ALA 146 Cb 1.00 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 3hf9 h ALA 146 CO 0.10 -0.56 0.21 0.87 0.00 0.00 0.00 179.25 179.87 3hf9 h LYS 147 N -0.36 0.39 0.00 0.00 1.57 -0.99 -0.87 116.57 116.31 3hf9 h LYS 147 Ca -0.02 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 3hf9 h LYS 147 Cb 0.28 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3hf9 h LYS 147 CO 0.04 0.26 -0.28 0.77 -0.57 0.00 0.00 179.45 179.66 3hf9 h SER 148 N 0.40 0.00 -0.17 0.86 0.02 -1.02 -0.32 113.55 113.32 3hf9 h SER 148 Ca 0.28 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.15 3hf9 h SER 148 Cb 0.31 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 3hf9 h SER 148 CO -0.27 0.28 -0.21 -1.28 -1.14 0.00 0.00 176.83 174.22 3hf9 h SER 149 N 0.00 0.47 -0.27 3.07 0.87 -0.71 -3.25 113.55 113.73 3hf9 h SER 149 Ca -0.00 -0.50 -0.04 0.00 -1.23 0.00 0.00 61.79 60.02 3hf9 h SER 149 Cb 0.58 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 3hf9 h SER 149 CO 0.04 0.88 0.05 0.24 -0.53 0.00 0.00 176.83 177.51 3hf9 h MET 150 N 0.08 0.53 -0.84 2.24 2.07 -0.56 -1.86 114.93 116.59 3hf9 h MET 150 Ca 0.02 -0.10 0.17 0.00 -2.07 0.00 0.00 59.70 57.72 3hf9 h MET 150 Cb 0.76 -0.09 -0.10 0.00 -1.87 0.00 0.00 31.60 30.30 3hf9 h MET 150 CO 0.05 0.52 0.38 -0.22 1.07 0.00 0.00 176.91 178.71 3hf9 h LYS 151 N 0.52 0.48 0.01 1.72 3.64 -1.11 0.37 116.57 122.21 3hf9 h LYS 151 Ca 0.12 -0.03 -0.23 0.00 -1.27 0.00 0.00 60.65 59.24 3hf9 h LYS 151 Cb 0.25 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 3hf9 h LYS 151 CO 0.00 0.32 -1.17 0.87 -2.27 0.00 0.00 179.45 177.21 3hf9 h LYS 152 N 0.50 0.03 -0.00 1.90 1.79 -1.49 -3.36 116.57 115.94 3hf9 h LYS 152 Ca 0.48 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.90 3hf9 h LYS 152 Cb 0.77 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 3hf9 h LYS 152 CO -0.43 0.92 -0.75 1.28 -1.08 0.00 0.00 179.45 179.40 3hf9 n LEU 153 N -3.31 0.97 -0.17 2.94 4.77 -0.75 -4.48 117.00 116.97 3hf9 n LEU 153 Ca -0.04 -0.37 -0.08 0.00 -0.03 0.00 0.00 56.01 55.49 3hf9 n LEU 153 Cb 0.97 -0.08 0.06 0.00 -2.33 0.00 0.00 43.42 42.03 3hf9 n LEU 153 CO 0.47 0.22 0.80 0.22 -1.33 0.00 0.00 177.39 177.77 3hf9 h TYR 154 N 0.36 1.08 -1.46 -1.77 3.20 -0.43 -2.02 116.97 115.92 3hf9 h TYR 154 Ca 0.00 -0.20 0.49 0.00 3.14 0.00 0.00 58.73 62.16 3hf9 h TYR 154 Cb 0.53 -0.28 -0.13 0.00 1.54 0.00 0.00 36.73 38.39 3hf9 h TYR 154 CO 0.00 0.98 0.96 0.66 -1.64 0.00 0.00 178.16 179.12 3hf9 h SER 155 N 0.89 0.18 -0.02 -2.11 4.64 -1.83 0.87 113.55 116.17 3hf9 h SER 155 Ca 0.15 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3hf9 h SER 155 Cb 0.60 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3hf9 h SER 155 CO 0.04 -0.22 0.00 0.00 -0.87 0.00 0.00 176.83 175.78 3hf9 n GLN 156 N -4.62 1.11 -3.15 4.77 6.02 -0.76 -4.80 117.38 115.95 3hf9 n GLN 156 Ca 0.41 -0.16 -0.41 0.00 -0.01 0.00 0.00 57.00 56.82 3hf9 n GLN 156 Cb 1.62 -1.34 -0.07 0.00 1.02 0.00 0.00 30.24 31.47 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 -1.97 4.95 0.00 5.09 1.01 0.30 -4.85 120.40 124.92 3hf9 s VAL 157 Ca 0.32 0.71 0.00 0.00 0.00 0.00 0.00 61.98 63.00 3hf9 s VAL 157 Cb 0.15 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.53 3hf9 s VAL 157 CO 0.25 -0.18 0.00 0.35 0.00 0.00 0.00 175.10 175.52 3hf9 n THR 158 N 5.43 0.00 -4.14 3.92 -2.24 -1.26 -4.84 114.28 111.15 3hf9 n THR 158 Ca -0.02 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.67 3hf9 n THR 158 Cb 0.49 -0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 68.01 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 -1.52 -0.04 0.21 3.42 5.75 -1.26 -4.43 116.55 118.68 3hf9 n ASP 159 Ca 0.00 -1.92 0.06 0.00 -0.01 0.00 0.00 54.79 52.92 3hf9 n ASP 159 Cb 0.34 0.65 0.46 0.00 -1.03 0.00 0.00 41.12 41.54 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 0.83 0.00 0.65 6.12 0.00 -1.96 -1.99 103.07 106.71 3hf9 h GLY 160 Ca -0.11 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.11 3hf9 h GLY 160 CO 0.16 0.00 -0.45 -1.80 0.00 0.00 0.00 176.54 174.44 3hf9 h ASP 161 N 0.00 0.41 -0.55 0.19 -0.00 -1.99 -1.79 116.42 112.68 3hf9 h ASP 161 Ca -0.00 -0.76 -0.10 0.00 -0.00 0.00 0.00 57.03 56.16 3hf9 h ASP 161 Cb 0.62 -0.12 -0.02 0.00 -0.00 0.00 0.00 39.33 39.81 3hf9 h ASP 161 CO 0.04 1.12 -0.05 0.77 -0.00 0.00 0.00 179.24 181.11 3hf9 h SER 162 N -0.26 1.02 -0.90 2.28 4.64 -1.91 -1.54 113.55 116.89 3hf9 h SER 162 Ca -0.06 -0.31 0.17 0.00 -0.47 0.00 0.00 61.79 61.12 3hf9 h SER 162 Cb 1.18 -0.28 -0.10 0.00 -0.31 0.00 0.00 62.40 62.89 3hf9 h SER 162 CO 0.09 1.10 0.48 1.23 -0.87 0.00 0.00 176.83 178.86 3hf9 h GLY 163 N 0.97 1.50 0.96 -0.77 0.00 -1.36 0.11 103.07 104.48 3hf9 h GLY 163 Ca 0.16 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 3hf9 h GLY 163 CO 0.04 -0.07 -0.02 -2.00 0.00 0.00 0.00 176.54 174.50 3hf9 h LEU 164 N 0.64 0.73 0.20 3.11 6.46 -0.82 -1.57 115.31 124.05 3hf9 h LEU 164 Ca 0.50 -0.32 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 3hf9 h LEU 164 Cb 0.76 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.49 3hf9 h LEU 164 CO -0.38 0.87 -0.09 -0.09 -0.62 0.00 0.00 178.44 178.12 3hf9 h ARG 165 N 0.57 -0.25 -0.54 1.25 2.43 -0.12 -1.46 114.38 116.25 3hf9 h ARG 165 Ca 0.11 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.41 3hf9 h ARG 165 Cb 0.50 0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 30.02 3hf9 h ARG 165 CO 0.02 -0.09 0.01 0.28 -1.51 0.00 0.00 179.97 178.69 3hf9 h VAL 166 N -0.37 0.58 -0.48 0.20 2.07 -0.88 0.20 116.25 117.58 3hf9 h VAL 166 Ca -0.03 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.52 3hf9 h VAL 166 Cb 0.28 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 3hf9 h VAL 166 CO 0.04 0.02 0.15 0.00 0.02 0.00 0.00 177.57 177.81 3hf9 h ALA 167 N 1.48 0.57 -0.57 1.67 0.00 -1.11 0.15 119.26 121.44 3hf9 h ALA 167 Ca 0.28 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 3hf9 h ALA 167 Cb 0.42 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3hf9 h ALA 167 CO -0.44 -0.25 0.02 0.28 0.00 0.00 0.00 179.25 178.86 3hf9 h VAL 168 N 0.31 1.26 -0.53 0.00 2.07 -0.59 -1.85 116.25 116.92 3hf9 h VAL 168 Ca 0.23 -1.08 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 3hf9 h VAL 168 Cb 0.26 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3hf9 h VAL 168 CO -0.26 0.39 0.08 -0.08 0.02 0.00 0.00 177.57 177.73 3hf9 h GLU 169 N 0.90 0.88 -0.56 1.57 4.81 0.19 0.38 114.58 122.75 3hf9 h GLU 169 Ca 0.17 -0.24 0.05 0.00 -0.13 0.00 0.00 59.36 59.21 3hf9 h GLU 169 Cb 0.50 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.73 3hf9 h GLU 169 CO 0.02 0.86 0.30 0.00 -0.73 0.00 0.00 179.01 179.46 3hf9 h ALA 170 N 0.98 0.73 0.00 2.92 0.00 -0.49 0.27 119.26 123.67 3hf9 h ALA 170 Ca 0.16 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3hf9 h ALA 170 Cb 0.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3hf9 h ALA 170 CO 0.01 -0.04 -0.25 -0.07 0.00 0.00 0.00 179.25 178.91 3hf9 h LEU 171 N 0.57 0.00 -0.11 0.00 3.38 -0.97 -0.80 115.31 117.38 3hf9 h LEU 171 Ca 0.25 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 3hf9 h LEU 171 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3hf9 h LEU 171 CO -0.16 0.25 -0.10 0.22 0.09 0.00 0.00 178.44 178.74 3hf9 h TYR 172 N 0.00 0.30 -0.76 1.13 3.20 0.12 -2.54 116.97 118.41 3hf9 h TYR 172 Ca -0.00 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 3hf9 h TYR 172 Cb 0.61 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.78 3hf9 h TYR 172 CO 0.00 0.66 0.47 -0.44 -1.64 0.00 0.00 178.16 177.21 3hf9 h ASP 173 N -0.14 0.90 -0.57 -2.11 3.32 -0.26 -0.45 116.42 117.10 3hf9 h ASP 173 Ca 0.02 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 3hf9 h ASP 173 Cb 0.61 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3hf9 h ASP 173 CO 0.02 0.68 0.11 0.00 -1.72 0.00 0.00 179.24 178.33 3hf9 h ALA 174 N 1.48 0.76 0.00 3.45 0.00 -1.14 -2.23 119.26 121.57 3hf9 h ALA 174 Ca 0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3hf9 h ALA 174 Cb -0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3hf9 h ALA 174 CO -0.05 0.49 -0.06 0.00 0.00 0.00 0.00 179.25 179.63 3hf9 h ALA 175 N 1.01 1.00 -0.09 0.00 0.00 -0.86 -0.98 119.26 119.35 3hf9 h ALA 175 Ca 0.18 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3hf9 h ALA 175 Cb 0.39 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3hf9 h ALA 175 CO 0.01 0.07 -0.64 0.22 0.00 0.00 0.00 179.25 178.91 3hf9 h ASP 176 N 0.00 0.39 -0.00 0.00 3.58 -0.50 -3.32 116.42 116.56 3hf9 h ASP 176 Ca -0.00 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.22 3hf9 h ASP 176 Cb 0.65 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.59 3hf9 h ASP 176 CO 0.01 0.92 -0.31 0.47 -2.88 0.00 0.00 179.24 177.46 3hf9 n ASP 177 N -3.87 0.85 -3.98 2.28 8.00 -1.10 -4.95 116.55 113.79 3hf9 n ASP 177 Ca -0.03 -0.93 -0.25 0.00 0.71 0.00 0.00 54.79 54.29 3hf9 n ASP 177 Cb 0.65 0.71 -0.17 0.00 -0.02 0.00 0.00 41.12 42.29 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 -1.57 1.83 0.25 -2.24 2.15 -0.39 -5.03 116.67 111.68 3hf9 s ASP 178 Ca 0.06 -0.29 0.25 0.00 0.43 0.00 0.00 52.55 53.01 3hf9 s ASP 178 Cb 0.07 -0.80 0.71 0.00 -0.30 0.00 0.00 42.92 42.60 3hf9 s ASP 178 CO 0.30 -0.02 1.74 0.77 -0.17 0.00 0.00 175.17 177.79 3hf9 h SER 179 N 7.36 0.00 0.66 -0.34 4.64 -1.86 -3.17 113.55 120.84 3hf9 h SER 179 Ca -0.31 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3hf9 h SER 179 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3hf9 h SER 179 CO 0.45 0.00 -0.29 0.00 -0.87 0.00 0.00 176.83 176.12 3hf9 n ALA 180 N -1.85 3.06 -2.89 5.18 0.00 -1.26 -4.77 120.51 117.98 3hf9 n ALA 180 Ca 0.05 -0.26 -0.34 0.00 0.00 0.00 0.00 53.44 52.89 3hf9 n ALA 180 Cb 0.45 -1.26 -0.11 0.00 0.00 0.00 0.00 19.45 18.53 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 -2.95 4.31 0.07 0.00 2.01 -1.20 -4.68 115.64 113.20 3hf9 s THR 181 Ca 0.14 -0.21 -0.20 0.00 0.31 0.00 0.00 61.69 61.72 3hf9 s THR 181 Cb 0.18 -2.91 -0.07 0.00 0.01 0.00 0.00 72.50 69.71 3hf9 s THR 181 CO 0.62 0.48 0.60 -0.83 -0.69 0.00 0.00 174.62 174.80 3hf9 s GLY 182 N 0.33 2.69 0.58 4.40 0.00 -1.26 -4.48 107.32 109.58 3hf9 s GLY 182 Ca -0.01 0.08 -0.05 0.00 0.00 0.00 0.00 44.72 44.74 3hf9 s GLY 182 CO 0.02 0.58 0.80 0.61 0.00 0.00 0.00 173.10 175.10 3hf9 n GLY 183 N 1.87 -0.13 3.65 0.20 0.00 -1.26 -4.53 105.19 104.98 3hf9 n GLY 183 Ca -0.09 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 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 -4.60 4.09 -0.53 1.61 0.02 -1.26 -4.90 135.00 129.43 3hf9 s PRO 184 Ca 0.49 1.87 -0.23 0.00 0.02 0.00 0.00 61.00 63.15 3hf9 s PRO 184 Cb -0.02 -3.93 0.05 0.00 0.02 0.00 0.00 34.50 30.62 3hf9 s PRO 184 CO 0.33 -0.92 0.84 0.34 -0.33 0.00 0.00 177.00 177.26 3hf9 s ASP 185 N 3.13 6.31 0.21 2.53 3.68 -0.56 -4.88 116.67 127.09 3hf9 s ASP 185 Ca 0.67 -0.51 0.11 0.00 2.13 0.00 0.00 52.55 54.94 3hf9 s ASP 185 Cb -0.27 -2.39 0.02 0.00 -1.45 0.00 0.00 42.92 38.82 3hf9 s ASP 185 CO 0.25 -1.12 1.41 -0.07 0.13 0.00 0.00 175.17 175.77 3hf9 h LEU 186 N 10.56 0.00 -0.55 -1.34 3.38 -1.93 0.26 115.31 125.69 3hf9 h LEU 186 Ca -0.26 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 3hf9 h LEU 186 Cb 1.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 3hf9 h LEU 186 CO 1.05 0.75 0.17 0.58 0.09 0.00 0.00 178.44 181.08 3hf9 h VAL 187 N 0.00 1.24 0.00 1.22 2.07 -1.97 -3.13 116.25 115.67 3hf9 h VAL 187 Ca -0.01 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.71 3hf9 h VAL 187 Cb 1.50 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3hf9 h VAL 187 CO 0.10 0.30 -0.99 0.54 0.02 0.00 0.00 177.57 177.53 3hf9 n ARG 188 N -4.45 0.09 -3.06 1.57 1.74 -1.23 -4.99 116.66 106.33 3hf9 n ARG 188 Ca 0.02 -0.02 -0.13 0.00 -0.77 0.00 0.00 57.85 56.96 3hf9 n ARG 188 Cb 0.20 -1.51 0.06 0.00 -1.02 0.00 0.00 32.46 30.19 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 1.46 -0.10 3.25 -0.13 0.00 -0.00 -5.03 105.19 104.63 3hf9 n GLY 189 Ca 0.03 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 2.45 0.22 -0.61 1.01 -0.71 -5.01 121.20 115.31 3hf9 s ILE 190 Ca 0.11 -0.86 0.04 0.00 0.00 0.00 0.00 60.65 59.94 3hf9 s ILE 190 Cb -0.05 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 3hf9 s ILE 190 CO 0.50 0.54 -0.03 -0.36 0.00 0.00 0.00 174.94 175.59 3hf9 s PHE 191 N 0.62 1.57 0.76 3.97 0.40 -1.26 -1.50 117.98 122.54 3hf9 s PHE 191 Ca -0.10 -0.86 -0.15 0.00 -0.60 0.00 0.00 56.93 55.22 3hf9 s PHE 191 Cb -0.16 -0.89 0.05 0.00 0.51 0.00 0.00 43.02 42.53 3hf9 s PHE 191 CO 0.03 0.03 1.18 -2.30 0.70 0.00 0.00 175.22 174.86 3hf9 n PRO 192 N -0.41 0.43 -3.55 0.24 -0.02 -1.26 -4.82 135.00 125.61 3hf9 n PRO 192 Ca -0.06 0.21 -0.33 0.00 -2.02 0.00 0.00 63.50 61.30 3hf9 n PRO 192 Cb 0.63 -2.42 -0.05 0.00 -0.02 0.00 0.00 33.50 31.64 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 -1.92 5.06 0.12 3.45 -4.23 -0.67 -4.90 115.64 112.55 3hf9 s THR 193 Ca 0.75 0.38 -0.00 0.00 -1.18 0.00 0.00 61.69 61.65 3hf9 s THR 193 Cb -0.32 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 69.84 3hf9 s THR 193 CO 0.49 0.15 0.02 0.00 -0.54 0.00 0.00 174.62 174.74 3hf9 s ALA 194 N -1.55 0.92 -0.04 3.99 0.00 -1.26 -1.33 121.76 122.49 3hf9 s ALA 194 Ca 0.38 -1.44 -0.04 0.00 0.00 0.00 0.00 51.96 50.85 3hf9 s ALA 194 Cb -0.13 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.62 3hf9 s ALA 194 CO 0.20 -0.41 0.12 0.08 0.00 0.00 0.00 175.76 175.75 3hf9 s VAL 195 N -3.90 0.02 -0.05 0.00 1.01 0.12 -1.93 120.40 115.67 3hf9 s VAL 195 Ca 0.20 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.08 3hf9 s VAL 195 Cb 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.23 3hf9 s VAL 195 CO -0.00 -0.08 -0.16 -0.63 0.00 0.00 0.00 175.10 174.22 3hf9 s ILE 196 N -0.21 1.40 -0.11 2.22 1.01 -0.21 -1.13 121.20 124.18 3hf9 s ILE 196 Ca -0.03 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 59.97 3hf9 s ILE 196 Cb -0.02 -1.22 -0.00 0.00 0.01 0.00 0.00 42.46 41.23 3hf9 s ILE 196 CO 0.00 0.41 -0.22 -0.63 0.00 0.00 0.00 174.94 174.50 3hf9 s ILE 197 N 0.19 2.24 0.32 2.92 1.01 -0.16 -0.55 121.20 127.16 3hf9 s ILE 197 Ca -0.07 -0.95 0.05 0.00 0.00 0.00 0.00 60.65 59.68 3hf9 s ILE 197 Cb -0.13 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 3hf9 s ILE 197 CO 0.03 0.55 0.20 1.51 0.00 0.00 0.00 174.94 177.23 3hf9 s ASP 198 N 0.43 1.63 0.33 3.58 -4.77 0.78 -1.54 116.67 117.11 3hf9 s ASP 198 Ca -0.16 -1.64 0.04 0.00 -3.30 0.00 0.00 52.55 47.49 3hf9 s ASP 198 Cb -0.17 0.48 0.64 0.00 -1.09 0.00 0.00 42.92 42.78 3hf9 s ASP 198 CO 0.07 -0.96 1.93 0.00 0.70 0.00 0.00 175.17 176.90 3hf9 h ALA 199 N 2.16 1.62 -0.64 2.11 0.00 -1.92 -0.79 119.26 121.80 3hf9 h ALA 199 Ca -0.30 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 3hf9 h ALA 199 Cb 1.25 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3hf9 h ALA 199 CO 0.46 0.24 0.29 -0.44 0.00 0.00 0.00 179.25 179.80 3hf9 h ASP 200 N 0.88 0.85 0.00 0.00 3.45 -1.95 -3.49 116.42 116.16 3hf9 h ASP 200 Ca 0.36 -0.15 0.00 0.00 0.43 0.00 0.00 57.03 57.68 3hf9 h ASP 200 Cb 0.27 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 3hf9 h ASP 200 CO -0.13 0.76 0.00 0.61 -1.57 0.00 0.00 179.24 178.91 3hf9 n GLY 201 N -0.91 -1.30 3.40 2.75 0.00 -0.30 -5.06 105.19 103.76 3hf9 n GLY 201 Ca 0.04 -1.10 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.00 2.79 0.05 4.61 0.00 0.97 -0.16 121.76 129.03 3hf9 s ALA 202 Ca 0.00 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.05 3hf9 s ALA 202 Cb 0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 3hf9 s ALA 202 CO 0.00 0.08 -0.08 0.08 0.00 0.00 0.00 175.76 175.84 3hf9 s VAL 203 N 0.62 0.59 0.05 0.00 1.01 0.29 -4.95 120.40 118.01 3hf9 s VAL 203 Ca -0.05 -1.14 -0.30 0.00 0.00 0.00 0.00 61.98 60.49 3hf9 s VAL 203 Cb -0.15 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 3hf9 s VAL 203 CO 0.03 -0.40 1.10 -1.81 0.00 0.00 0.00 175.10 174.02 3hf9 s ASP 204 N -1.67 7.22 0.04 3.32 1.01 -1.26 -1.04 116.67 124.29 3hf9 s ASP 204 Ca -0.08 1.89 -0.30 0.00 0.71 0.00 0.00 52.55 54.76 3hf9 s ASP 204 Cb -0.09 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.21 3hf9 s ASP 204 CO 0.00 -0.35 1.10 -0.69 0.21 0.00 0.00 175.17 175.44 3hf9 s VAL 205 N 0.87 4.38 0.45 -1.27 1.01 -0.81 -4.92 120.40 120.10 3hf9 s VAL 205 Ca 0.55 1.73 -0.24 0.00 0.00 0.00 0.00 61.98 64.02 3hf9 s VAL 205 Cb -0.26 -4.11 -0.07 0.00 0.00 0.00 0.00 36.38 31.94 3hf9 s VAL 205 CO 0.29 0.15 1.22 -2.84 0.00 0.00 0.00 175.10 173.92 3hf9 s PRO 206 N 0.93 3.74 0.51 2.72 0.02 -1.26 -4.53 135.00 137.13 3hf9 s PRO 206 Ca 0.55 1.92 0.26 0.00 0.02 0.00 0.00 61.00 63.75 3hf9 s PRO 206 Cb -0.26 -2.48 1.36 0.00 0.02 0.00 0.00 34.50 33.13 3hf9 s PRO 206 CO 0.29 -0.60 2.03 1.49 -0.33 0.00 0.00 177.00 179.88 3hf9 h GLU 207 N 2.15 0.00 0.09 5.54 4.81 -1.95 -2.69 114.58 122.54 3hf9 h GLU 207 Ca -0.50 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.76 3hf9 h GLU 207 Cb 1.25 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.59 3hf9 h GLU 207 CO 0.60 0.14 -0.36 0.77 -0.73 0.00 0.00 179.01 179.44 3hf9 h SER 208 N 0.00 -1.04 0.64 1.04 0.02 -2.00 -2.55 113.55 109.66 3hf9 h SER 208 Ca -0.00 0.12 -0.10 0.00 -0.84 0.00 0.00 61.79 60.97 3hf9 h SER 208 Cb 0.39 0.40 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 3hf9 h SER 208 CO 0.02 -0.43 -0.46 -0.09 -1.14 0.00 0.00 176.83 174.72 3hf9 h ARG 209 N -0.57 0.00 -0.06 3.45 2.43 -1.86 -0.27 114.38 117.50 3hf9 h ARG 209 Ca 0.03 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 3hf9 h ARG 209 Cb 0.61 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3hf9 h ARG 209 CO -0.23 0.46 -0.19 0.82 -1.51 0.00 0.00 179.97 179.33 3hf9 h ILE 210 N 0.00 1.44 -0.43 1.20 2.04 -1.56 -1.82 117.51 118.37 3hf9 h ILE 210 Ca -0.00 -1.57 -0.11 0.00 1.00 0.00 0.00 64.86 64.17 3hf9 h ILE 210 Cb 0.91 2.30 -0.01 0.00 -0.74 0.00 0.00 36.82 39.28 3hf9 h ILE 210 CO 0.06 0.44 -0.17 0.00 0.00 0.00 0.00 178.15 178.48 3hf9 h ALA 211 N 0.44 0.60 -0.54 1.87 0.00 -1.32 0.34 119.26 120.66 3hf9 h ALA 211 Ca -0.01 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.60 3hf9 h ALA 211 Cb 0.81 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 3hf9 h ALA 211 CO 0.04 0.55 -0.47 1.49 0.00 0.00 0.00 179.25 180.86 3hf9 h GLU 212 N 0.71 -0.18 -0.37 0.00 4.81 -1.11 -2.23 114.58 116.21 3hf9 h GLU 212 Ca 0.10 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.42 3hf9 h GLU 212 Cb 0.73 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 30.06 3hf9 h GLU 212 CO 0.06 -0.12 -0.31 -0.07 -0.73 0.00 0.00 179.01 177.84 3hf9 h LEU 213 N -0.19 -1.02 0.88 1.64 3.38 -0.68 -3.17 115.31 116.16 3hf9 h LEU 213 Ca 0.09 0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 3hf9 h LEU 213 Cb 0.42 0.48 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3hf9 h LEU 213 CO -0.61 -0.31 -0.49 0.00 0.09 0.00 0.00 178.44 177.12 3hf9 h ALA 214 N 0.77 -1.31 -1.32 1.53 0.00 -0.13 -1.93 119.26 116.86 3hf9 h ALA 214 Ca 0.17 -0.27 0.38 0.00 0.00 0.00 0.00 54.91 55.19 3hf9 h ALA 214 Cb 0.53 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 3hf9 h ALA 214 CO -0.51 -1.25 1.16 0.00 0.00 0.00 0.00 179.25 178.66 3hf9 h ARG 215 N -1.27 0.00 0.13 0.00 3.08 -1.46 0.29 114.38 115.15 3hf9 h ARG 215 Ca -0.12 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.67 3hf9 h ARG 215 Cb 1.00 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.08 3hf9 h ARG 215 CO 0.15 0.00 -1.09 0.00 -1.07 0.00 0.00 179.97 177.96 3hf9 h ALA 216 N 0.92 -0.05 -0.18 0.04 0.00 -1.34 0.27 119.26 118.92 3hf9 h ALA 216 Ca 0.63 -0.74 0.04 0.00 0.00 0.00 0.00 54.91 54.84 3hf9 h ALA 216 Cb 2.94 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 20.80 3hf9 h ALA 216 CO -0.01 0.56 -0.08 0.82 0.00 0.00 0.00 179.25 180.54 3hf9 h ILE 217 N 0.04 0.73 0.75 0.00 2.04 0.08 0.43 117.51 121.58 3hf9 h ILE 217 Ca -0.17 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 3hf9 h ILE 217 Cb 1.81 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 38.62 3hf9 h ILE 217 CO 0.21 0.00 -0.43 0.40 0.00 0.00 0.00 178.15 178.33 3hf9 h ILE 218 N -0.06 0.13 -0.34 -0.67 2.04 -1.12 -1.53 117.51 115.96 3hf9 h ILE 218 Ca 0.10 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.98 3hf9 h ILE 218 Cb 0.21 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 3hf9 h ILE 218 CO -0.22 0.00 0.22 -0.33 0.00 0.00 0.00 178.15 177.82 3hf9 h GLU 219 N -1.10 0.35 0.30 2.37 5.08 -0.48 -1.48 114.58 119.61 3hf9 h GLU 219 Ca -0.10 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3hf9 h GLU 219 Cb 0.87 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3hf9 h GLU 219 CO 0.12 0.23 -0.23 1.03 -1.00 0.00 0.00 179.01 179.17 3hf9 h SER 220 N 0.36 -0.60 0.00 1.42 0.87 -0.72 -2.73 113.55 112.16 3hf9 h SER 220 Ca 0.13 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 3hf9 h SER 220 Cb 0.09 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 3hf9 h SER 220 CO -0.03 -0.32 0.11 0.54 -0.53 0.00 0.00 176.83 176.60 3hf9 n ARG 221 N -3.71 0.12 0.00 2.24 1.74 -0.59 -5.09 116.66 111.37 3hf9 n ARG 221 Ca -0.06 0.61 0.16 0.00 -0.77 0.00 0.00 57.85 57.79 3hf9 n ARG 221 Cb 0.22 -2.01 0.93 0.00 -1.02 0.00 0.00 32.46 30.59 3hf9 n ARG 221 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54