#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 3.12 0.03 12.58 -1.09 -0.46 -2.73 121.20 132.65 3hf9 s ILE 3 Ca 0.00 -0.93 0.04 0.00 -2.23 0.00 0.00 60.65 57.53 3hf9 s ILE 3 Cb 0.00 -2.30 -0.02 0.00 -1.58 0.00 0.00 42.46 38.56 3hf9 s ILE 3 CO 0.00 0.43 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.32 3hf9 s VAL 4 N -0.89 1.00 -0.06 2.92 1.01 0.11 -1.70 120.40 122.80 3hf9 s VAL 4 Ca 0.14 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 3hf9 s VAL 4 Cb -0.11 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.38 3hf9 s VAL 4 CO 0.05 -0.01 0.16 0.00 0.00 0.00 0.00 175.10 175.29 3hf9 s ALA 5 N -0.83 -0.40 0.01 5.51 0.00 -0.04 -1.00 121.76 125.01 3hf9 s ALA 5 Ca 0.01 0.41 -0.11 0.00 0.00 0.00 0.00 51.96 52.26 3hf9 s ALA 5 Cb -0.07 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.82 3hf9 s ALA 5 CO 0.01 -0.09 0.23 -0.48 0.00 0.00 0.00 175.76 175.43 3hf9 s LEU 6 N -0.05 1.17 0.08 0.00 0.05 -0.37 -1.52 118.68 118.03 3hf9 s LEU 6 Ca -0.01 -0.13 -0.18 0.00 0.05 0.00 0.00 54.13 53.86 3hf9 s LEU 6 Cb -0.02 1.04 -0.07 0.00 -2.05 0.00 0.00 46.19 45.09 3hf9 s LEU 6 CO 0.00 -0.47 0.55 -0.54 -0.55 0.00 0.00 176.35 175.35 3hf9 s LYS 7 N -1.74 4.13 0.36 1.48 1.02 0.34 -1.27 119.74 124.07 3hf9 s LYS 7 Ca -0.11 0.66 0.04 0.00 0.02 0.00 0.00 55.97 56.58 3hf9 s LYS 7 Cb -0.05 -3.18 -0.06 0.00 -0.52 0.00 0.00 37.83 34.03 3hf9 s LYS 7 CO 0.01 0.61 0.06 1.52 -0.92 0.00 0.00 175.35 176.63 3hf9 s TYR 8 N -1.18 2.03 -0.29 3.18 -0.85 -0.60 -4.94 117.35 114.70 3hf9 s TYR 8 Ca 0.30 -0.95 -0.28 0.00 -0.52 0.00 0.00 57.07 55.62 3hf9 s TYR 8 Cb -0.18 -1.36 -0.03 0.00 0.38 0.00 0.00 41.96 40.77 3hf9 s TYR 8 CO 0.18 0.05 1.88 -2.14 -1.52 0.00 0.00 175.55 174.01 3hf9 s PRO 9 N -3.84 3.35 0.00 -3.49 0.02 -1.26 -1.94 135.00 127.84 3hf9 s PRO 9 Ca 0.33 1.61 0.00 0.00 0.02 0.00 0.00 61.00 62.96 3hf9 s PRO 9 Cb 0.08 -4.22 0.00 0.00 0.02 0.00 0.00 34.50 30.38 3hf9 s PRO 9 CO 0.15 -1.84 0.00 0.41 -0.33 0.00 0.00 177.00 175.39 3hf9 n GLY 10 N 5.42 0.55 0.00 0.52 0.00 0.10 -4.74 105.19 107.04 3hf9 n GLY 10 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.43 1.13 3.09 -0.02 0.00 -0.82 -4.15 105.19 103.00 3hf9 n GLY 11 Ca 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.35 0.58 0.02 1.61 -7.23 -0.78 -1.56 120.40 110.68 3hf9 s VAL 12 Ca 0.00 -1.30 0.07 0.00 -1.81 0.00 0.00 61.98 58.94 3hf9 s VAL 12 Cb 0.00 -0.88 -0.02 0.00 0.56 0.00 0.00 36.38 36.03 3hf9 s VAL 12 CO 0.00 -0.51 -0.21 0.54 -0.31 0.00 0.00 175.10 174.61 3hf9 s VAL 13 N -1.96 1.70 -0.03 1.32 0.11 -0.40 -1.17 120.40 119.98 3hf9 s VAL 13 Ca -0.04 -1.07 0.02 0.00 -2.93 0.00 0.00 61.98 57.95 3hf9 s VAL 13 Cb -0.06 -1.44 0.01 0.00 -1.53 0.00 0.00 36.38 33.36 3hf9 s VAL 13 CO -0.01 0.34 -0.06 -0.32 -3.33 0.00 0.00 175.10 171.72 3hf9 s MET 14 N -0.86 0.71 0.04 1.54 1.75 -0.55 -1.24 119.30 120.69 3hf9 s MET 14 Ca 0.08 -0.17 0.01 0.00 -1.25 0.00 0.00 55.69 54.36 3hf9 s MET 14 Cb -0.09 -0.70 -0.03 0.00 2.84 0.00 0.00 34.83 36.86 3hf9 s MET 14 CO 0.01 0.03 -0.06 0.00 -0.65 0.00 0.00 175.02 174.34 3hf9 s ALA 15 N 0.42 0.48 -0.14 4.11 0.00 -0.17 -0.61 121.76 125.85 3hf9 s ALA 15 Ca -0.05 -0.81 -0.12 0.00 0.00 0.00 0.00 51.96 50.97 3hf9 s ALA 15 Cb -0.09 0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.17 3hf9 s ALA 15 CO 0.00 -0.11 0.36 0.20 0.00 0.00 0.00 175.76 176.21 3hf9 s GLY 16 N -1.81 -0.27 1.24 0.00 0.00 -0.32 -0.71 107.32 105.45 3hf9 s GLY 16 Ca -0.08 1.03 -0.16 0.00 0.00 0.00 0.00 44.72 45.51 3hf9 s GLY 16 CO -0.01 0.92 1.01 0.51 0.00 0.00 0.00 173.10 175.52 3hf9 s ASP 17 N 0.27 0.43 0.00 1.64 3.84 -1.11 -1.78 116.67 119.97 3hf9 s ASP 17 Ca -0.01 1.19 0.05 0.00 -0.00 0.00 0.00 52.55 53.78 3hf9 s ASP 17 Cb -0.03 -1.80 0.07 0.00 -1.38 0.00 0.00 42.92 39.78 3hf9 s ASP 17 CO -0.00 -4.49 0.78 0.54 -0.00 0.00 0.00 175.17 172.00 3hf9 n ARG 18 N -5.08 0.54 -2.64 2.11 5.12 -1.26 -4.57 116.66 110.89 3hf9 n ARG 18 Ca 0.07 -1.06 -0.29 0.00 -1.93 0.00 0.00 57.85 54.64 3hf9 n ARG 18 Cb 0.57 -1.11 -0.02 0.00 -1.16 0.00 0.00 32.46 30.74 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 -0.58 3.68 -0.12 5.56 6.06 -1.26 -1.30 118.95 130.99 3hf9 s ARG 19 Ca 0.07 0.43 -0.12 0.00 -2.50 0.00 0.00 55.73 53.61 3hf9 s ARG 19 Cb 0.05 -2.34 0.03 0.00 0.06 0.00 0.00 34.95 32.75 3hf9 s ARG 19 CO 0.07 -0.17 0.33 -1.54 -2.50 0.00 0.00 175.30 171.49 3hf9 s SER 20 N -3.62 -0.34 0.20 -2.12 1.04 -0.86 -4.85 113.70 103.15 3hf9 s SER 20 Ca 0.51 0.63 0.11 0.00 0.48 0.00 0.00 55.95 57.68 3hf9 s SER 20 Cb -0.10 0.66 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 3hf9 s SER 20 CO 0.39 -0.14 -0.24 0.42 0.98 0.00 0.00 173.24 174.65 3hf9 s THR 21 N 0.06 2.34 -0.58 2.02 -4.23 -1.26 -1.01 115.64 112.97 3hf9 s THR 21 Ca -0.01 -2.05 0.04 0.00 -1.18 0.00 0.00 61.69 58.49 3hf9 s THR 21 Cb -0.03 -2.12 0.14 0.00 1.34 0.00 0.00 72.50 71.83 3hf9 s THR 21 CO 0.01 -0.14 0.34 -1.58 -0.54 0.00 0.00 174.62 172.71 3hf9 s GLN 22 N -2.72 2.16 7.80 3.99 0.74 -0.32 -4.83 119.66 126.48 3hf9 s GLN 22 Ca 0.21 -2.86 0.00 0.00 0.05 0.00 0.00 55.36 52.76 3hf9 s GLN 22 Cb -0.08 -3.37 0.00 0.00 1.10 0.00 0.00 33.01 30.66 3hf9 s GLN 22 CO 0.10 -1.17 0.00 0.41 -0.55 0.00 0.00 175.29 174.08 3hf9 n GLY 23 N 2.74 2.43 0.09 2.59 0.00 -1.26 -2.92 105.19 108.85 3hf9 n GLY 23 Ca 0.10 -0.37 0.06 0.00 0.00 0.00 0.00 46.02 45.81 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 9.12 0.63 -4.77 1.61 3.02 -1.26 -4.94 115.26 118.67 3hf9 n ASN 24 Ca 0.00 0.26 -0.38 0.00 -0.03 0.00 0.00 54.58 54.43 3hf9 n ASN 24 Cb 0.00 0.69 -0.03 0.00 -0.61 0.00 0.00 39.78 39.82 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 -3.17 4.22 -0.37 3.52 -1.94 -1.15 -4.99 119.30 115.42 3hf9 s MET 25 Ca -0.04 1.74 -0.24 0.00 -1.71 0.00 0.00 55.69 55.45 3hf9 s MET 25 Cb 0.10 -2.76 0.01 0.00 2.01 0.00 0.00 34.83 34.19 3hf9 s MET 25 CO 0.82 -0.15 0.83 0.42 -0.01 0.00 0.00 175.02 176.94 3hf9 s ILE 26 N -1.42 4.68 -1.48 2.53 1.01 -1.26 -1.17 121.20 124.08 3hf9 s ILE 26 Ca 0.54 0.97 0.18 0.00 0.00 0.00 0.00 60.65 62.34 3hf9 s ILE 26 Cb -0.29 -4.25 -0.03 0.00 0.01 0.00 0.00 42.46 37.90 3hf9 s ILE 26 CO 0.36 -0.48 0.88 -1.54 0.00 0.00 0.00 174.94 174.17 3hf9 n SER 27 N 6.54 1.58 -3.61 3.58 3.41 -0.18 -4.93 113.62 120.01 3hf9 n SER 27 Ca 0.04 -1.29 -0.14 0.00 -0.26 0.00 0.00 58.87 57.23 3hf9 n SER 27 Cb 0.48 0.56 -0.07 0.00 -0.26 0.00 0.00 64.21 64.92 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 -2.13 -0.48 0.00 5.00 0.00 -0.96 -4.93 107.32 103.82 3hf9 s GLY 28 Ca 0.13 2.00 0.00 0.00 0.00 0.00 0.00 44.72 46.86 3hf9 s GLY 28 CO 0.49 1.60 0.33 0.54 0.00 0.00 0.00 173.10 176.05 3hf9 n ARG 29 N 2.23 1.72 0.00 2.90 1.74 -1.26 -2.03 116.66 121.96 3hf9 n ARG 29 Ca -0.14 -0.33 0.02 0.00 -0.77 0.00 0.00 57.85 56.63 3hf9 n ARG 29 Cb 0.56 -0.83 0.01 0.00 -1.02 0.00 0.00 32.46 31.18 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 -0.34 1.20 -4.67 0.55 5.68 -1.11 -4.59 116.55 113.28 3hf9 n ASP 30 Ca 0.00 -1.10 -0.42 0.00 -0.50 0.00 0.00 54.79 52.77 3hf9 n ASP 30 Cb 0.00 0.16 -0.03 0.00 -1.14 0.00 0.00 41.12 40.11 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 -0.56 2.92 -0.20 2.12 1.01 -0.42 -4.98 120.40 120.30 3hf9 s VAL 31 Ca 0.05 0.01 -0.20 0.00 0.00 0.00 0.00 61.98 61.83 3hf9 s VAL 31 Cb 0.04 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 3hf9 s VAL 31 CO 0.08 -0.00 0.62 -0.13 0.00 0.00 0.00 175.10 175.67 3hf9 s ARG 32 N 4.19 4.20 -0.01 2.72 0.52 -1.26 -4.30 118.95 125.01 3hf9 s ARG 32 Ca 0.88 0.59 0.10 0.00 -0.52 0.00 0.00 55.73 56.77 3hf9 s ARG 32 Cb -0.44 -3.58 -0.13 0.00 0.52 0.00 0.00 34.95 31.32 3hf9 s ARG 32 CO 0.41 -0.25 0.27 1.63 0.02 0.00 0.00 175.30 177.38 3hf9 n LYS 33 N 5.09 1.50 -4.23 3.54 5.02 -1.26 -4.71 118.16 123.11 3hf9 n LYS 33 Ca -0.02 -0.06 -0.34 0.00 -2.02 0.00 0.00 58.31 55.87 3hf9 n LYS 33 Cb 0.50 -1.13 -0.14 0.00 -0.02 0.00 0.00 35.03 34.23 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 -2.41 3.28 0.12 -0.18 1.01 -1.26 -2.68 120.40 118.28 3hf9 s VAL 34 Ca -0.01 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.46 3hf9 s VAL 34 Cb 0.06 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 3hf9 s VAL 34 CO 0.39 0.47 -0.10 -0.31 0.00 0.00 0.00 175.10 175.55 3hf9 s TYR 35 N 1.00 1.15 -0.48 5.22 1.51 -0.29 -4.97 117.35 120.50 3hf9 s TYR 35 Ca -0.00 -0.69 -0.19 0.00 -1.01 0.00 0.00 57.07 55.17 3hf9 s TYR 35 Cb -0.15 -0.61 0.04 0.00 -0.11 0.00 0.00 41.96 41.13 3hf9 s TYR 35 CO -0.00 0.03 0.59 0.42 -1.11 0.00 0.00 175.55 175.48 3hf9 s ILE 36 N -2.76 4.91 0.17 2.71 1.01 -1.26 -0.90 121.20 125.08 3hf9 s ILE 36 Ca 0.10 -0.35 -0.09 0.00 0.00 0.00 0.00 60.65 60.31 3hf9 s ILE 36 Cb -0.01 -4.23 0.01 0.00 0.01 0.00 0.00 42.46 38.24 3hf9 s ILE 36 CO 0.00 -0.69 1.56 0.71 0.00 0.00 0.00 174.94 176.52 3hf9 h THR 37 N 5.84 1.27 -2.25 2.92 1.35 -1.72 -3.48 112.91 116.83 3hf9 h THR 37 Ca -0.27 -1.38 -0.03 0.00 -0.55 0.00 0.00 66.41 64.18 3hf9 h THR 37 Cb 1.10 1.13 -0.01 0.00 -1.73 0.00 0.00 68.15 68.65 3hf9 h THR 37 CO 0.92 0.48 0.01 -0.90 -0.25 0.00 0.00 175.52 175.77 3hf9 n ASP 38 N -4.11 -0.29 -0.37 5.36 5.75 -1.03 -4.36 116.55 117.49 3hf9 n ASP 38 Ca 0.00 -1.29 -0.02 0.00 -0.01 0.00 0.00 54.79 53.47 3hf9 n ASP 38 Cb 0.46 0.52 0.11 0.00 -1.03 0.00 0.00 41.12 41.17 3hf9 n ASP 38 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3hf9 h ASP 39 N 0.32 1.14 -0.28 -1.12 3.32 -1.95 -3.20 116.42 114.65 3hf9 h ASP 39 Ca -0.05 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3hf9 h ASP 39 Cb 0.20 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3hf9 h ASP 39 CO 0.06 0.82 0.00 -1.22 -1.72 0.00 0.00 179.24 177.19 3hf9 n TYR 40 N -4.39 0.42 -4.07 4.55 4.02 -1.26 -0.68 117.16 115.74 3hf9 n TYR 40 Ca 0.12 -0.54 -0.08 0.00 -0.01 0.00 0.00 57.90 57.39 3hf9 n TYR 40 Cb 0.02 -0.06 -0.10 0.00 -0.02 0.00 0.00 39.34 39.18 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 -1.17 0.26 0.00 -0.72 -4.23 -1.21 -0.64 115.64 107.93 3hf9 s THR 41 Ca 0.21 -1.61 -0.15 0.00 -1.18 0.00 0.00 61.69 58.96 3hf9 s THR 41 Cb 0.12 -1.25 0.02 0.00 1.34 0.00 0.00 72.50 72.74 3hf9 s THR 41 CO 0.13 -0.86 0.31 0.00 -0.54 0.00 0.00 174.62 173.66 3hf9 s ALA 42 N -3.29 -0.77 -0.02 3.99 0.00 -0.12 -1.97 121.76 119.58 3hf9 s ALA 42 Ca 0.02 0.25 0.07 0.00 0.00 0.00 0.00 51.96 52.30 3hf9 s ALA 42 Cb 0.03 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.28 3hf9 s ALA 42 CO -0.07 -0.30 -0.21 0.95 0.00 0.00 0.00 175.76 176.12 3hf9 s THR 43 N -1.66 1.69 -0.04 0.00 -4.23 -0.08 -1.24 115.64 110.09 3hf9 s THR 43 Ca -0.11 -0.92 0.07 0.00 -1.18 0.00 0.00 61.69 59.55 3hf9 s THR 43 Cb -0.04 -1.40 -0.02 0.00 1.34 0.00 0.00 72.50 72.38 3hf9 s THR 43 CO 0.02 0.48 -0.24 -0.83 -0.54 0.00 0.00 174.62 173.51 3hf9 s GLY 44 N -0.51 1.32 -0.07 3.99 0.00 -0.60 -1.14 107.32 110.31 3hf9 s GLY 44 Ca 0.08 -1.08 0.04 0.00 0.00 0.00 0.00 44.72 43.77 3hf9 s GLY 44 CO -0.01 -0.82 -0.21 -0.42 0.00 0.00 0.00 173.10 171.64 3hf9 s ILE 45 N -0.50 1.75 -1.47 0.90 1.09 -1.09 -0.57 121.20 121.31 3hf9 s ILE 45 Ca 0.06 -0.87 -0.09 0.00 -1.10 0.00 0.00 60.65 58.65 3hf9 s ILE 45 Cb -0.11 -1.51 0.02 0.00 -1.06 0.00 0.00 42.46 39.80 3hf9 s ILE 45 CO 0.00 0.49 2.54 0.00 -0.10 0.00 0.00 174.94 177.87 3hf9 n ALA 46 N 3.32 6.72 -3.00 9.38 0.00 -1.26 -4.82 120.51 130.85 3hf9 n ALA 46 Ca -0.19 -3.84 0.00 0.00 0.00 0.00 0.00 53.44 49.41 3hf9 n ALA 46 Cb 0.52 -3.20 0.00 0.00 0.00 0.00 0.00 19.45 16.78 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 3.09 5.50 3.70 0.00 0.00 -1.26 -4.93 105.19 111.29 3hf9 n GLY 47 Ca 0.65 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.58 2.43 0.22 2.61 -4.23 -1.26 -4.81 115.64 110.01 3hf9 s THR 48 Ca 0.00 0.14 -0.08 0.00 -1.18 0.00 0.00 61.69 60.57 3hf9 s THR 48 Cb 0.00 -2.34 0.19 0.00 1.34 0.00 0.00 72.50 71.69 3hf9 s THR 48 CO 0.00 -0.17 1.70 0.00 -0.54 0.00 0.00 174.62 175.61 3hf9 h ALA 49 N -1.52 0.81 -0.42 3.99 0.00 -1.96 -2.69 119.26 117.47 3hf9 h ALA 49 Ca -0.44 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 3hf9 h ALA 49 Cb 1.26 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3hf9 h ALA 49 CO 0.45 -0.30 -0.03 0.00 0.00 0.00 0.00 179.25 179.37 3hf9 h ALA 50 N 1.52 0.57 -0.28 0.00 0.00 -1.92 -2.84 119.26 116.30 3hf9 h ALA 50 Ca 0.35 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hf9 h ALA 50 Cb 0.54 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3hf9 h ALA 50 CO -0.43 0.39 0.18 0.28 0.00 0.00 0.00 179.25 179.67 3hf9 h VAL 51 N 0.59 1.09 -0.71 0.00 2.07 -1.88 0.14 116.25 117.54 3hf9 h VAL 51 Ca 0.11 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.47 3hf9 h VAL 51 Cb 0.54 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 3hf9 h VAL 51 CO 0.03 0.09 0.46 0.00 0.02 0.00 0.00 177.57 178.17 3hf9 h ALA 52 N 1.08 0.92 0.31 1.67 0.00 -1.36 -1.62 119.26 120.26 3hf9 h ALA 52 Ca 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3hf9 h ALA 52 Cb -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3hf9 h ALA 52 CO -0.02 0.29 -0.15 0.28 0.00 0.00 0.00 179.25 179.65 3hf9 h VAL 53 N 0.93 0.36 -0.84 0.00 2.07 -1.29 -2.73 116.25 114.75 3hf9 h VAL 53 Ca 0.27 -0.80 0.19 0.00 0.82 0.00 0.00 66.70 67.18 3hf9 h VAL 53 Cb -0.06 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.24 3hf9 h VAL 53 CO -0.08 0.09 0.56 -0.33 0.02 0.00 0.00 177.57 177.83 3hf9 h GLU 54 N -1.02 0.36 0.28 1.57 4.39 -0.67 0.36 114.58 119.86 3hf9 h GLU 54 Ca -0.04 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 3hf9 h GLU 54 Cb 0.46 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3hf9 h GLU 54 CO 0.07 0.24 -0.13 0.35 -1.16 0.00 0.00 179.01 178.37 3hf9 h PHE 55 N 0.37 -0.35 -0.70 4.33 3.04 -1.39 -2.41 116.94 119.82 3hf9 h PHE 55 Ca 0.42 -0.01 0.15 0.00 3.98 0.00 0.00 57.97 62.52 3hf9 h PHE 55 Cb 1.08 0.12 -0.11 0.00 2.56 0.00 0.00 35.95 39.60 3hf9 h PHE 55 CO -0.00 -0.04 0.11 0.00 -2.02 0.00 0.00 178.31 176.35 3hf9 h ALA 56 N -0.71 0.83 -0.70 2.41 0.00 -1.05 -0.65 119.26 119.38 3hf9 h ALA 56 Ca -0.04 0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.12 3hf9 h ALA 56 Cb 0.46 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 3hf9 h ALA 56 CO 0.06 -0.37 0.39 -0.09 0.00 0.00 0.00 179.25 179.25 3hf9 h ARG 57 N 0.20 0.69 -0.23 0.00 2.43 -0.36 0.18 114.38 117.31 3hf9 h ARG 57 Ca 0.39 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.47 3hf9 h ARG 57 Cb 0.65 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3hf9 h ARG 57 CO -0.53 0.46 -0.04 1.25 -1.51 0.00 0.00 179.97 179.60 3hf9 h LEU 58 N 0.72 0.43 -0.48 3.80 5.85 -0.83 -2.12 115.31 122.67 3hf9 h LEU 58 Ca 0.32 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3hf9 h LEU 58 Cb 0.21 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3hf9 h LEU 58 CO -0.19 0.68 0.25 0.22 -0.34 0.00 0.00 178.44 179.05 3hf9 h TYR 59 N 0.17 0.67 -0.44 1.25 3.20 -0.69 -1.39 116.97 119.74 3hf9 h TYR 59 Ca 0.06 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 3hf9 h TYR 59 Cb 0.48 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 3hf9 h TYR 59 CO 0.05 0.52 0.09 0.00 -1.64 0.00 0.00 178.16 177.18 3hf9 h ALA 60 N 1.09 1.34 -0.22 1.82 0.00 -0.58 -1.00 119.26 121.71 3hf9 h ALA 60 Ca 0.17 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3hf9 h ALA 60 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3hf9 h ALA 60 CO -0.02 0.47 -0.05 0.28 0.00 0.00 0.00 179.25 179.93 3hf9 h VAL 61 N 0.65 1.28 -0.14 0.00 2.07 -0.86 -2.20 116.25 117.04 3hf9 h VAL 61 Ca 0.15 -1.03 0.05 0.00 0.82 0.00 0.00 66.70 66.69 3hf9 h VAL 61 Cb 0.26 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 3hf9 h VAL 61 CO -0.00 0.32 -0.20 -0.33 0.02 0.00 0.00 177.57 177.37 3hf9 h GLU 62 N 0.16 -0.24 -0.26 1.57 5.08 -0.31 1.00 114.58 121.57 3hf9 h GLU 62 Ca 0.06 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 3hf9 h GLU 62 Cb 0.50 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 3hf9 h GLU 62 CO 0.02 -0.16 0.03 -0.07 -1.00 0.00 0.00 179.01 177.83 3hf9 h LEU 63 N -0.25 -0.04 -0.22 1.33 3.38 -1.13 -0.68 115.31 117.71 3hf9 h LEU 63 Ca 0.10 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 3hf9 h LEU 63 Cb 0.40 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3hf9 h LEU 63 CO -0.29 0.01 -0.11 -0.08 0.09 0.00 0.00 178.44 178.06 3hf9 h GLU 64 N 0.12 0.46 -0.83 1.13 4.81 -1.23 -2.32 114.58 116.71 3hf9 h GLU 64 Ca 0.12 -0.20 0.19 0.00 -0.13 0.00 0.00 59.36 59.34 3hf9 h GLU 64 Cb 0.14 -0.01 -0.15 0.00 0.63 0.00 0.00 28.75 29.36 3hf9 h GLU 64 CO -0.18 0.74 -0.09 1.25 -0.73 0.00 0.00 179.01 180.00 3hf9 h HIS 65 N 0.16 -0.23 -0.70 0.92 2.76 -0.52 0.13 115.15 117.67 3hf9 h HIS 65 Ca 0.05 0.07 -0.06 0.00 -2.20 0.00 0.00 60.37 58.22 3hf9 h HIS 65 Cb 0.61 0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.77 3hf9 h HIS 65 CO 0.06 -0.33 0.19 -0.92 -1.30 0.00 0.00 177.93 175.64 3hf9 h TYR 66 N 0.04 1.15 -0.21 5.26 3.20 -0.73 -2.00 116.97 123.68 3hf9 h TYR 66 Ca 0.44 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 62.14 3hf9 h TYR 66 Cb 0.76 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3hf9 h TYR 66 CO -0.54 0.92 -0.06 1.49 -1.64 0.00 0.00 178.16 178.33 3hf9 h GLU 67 N 1.06 0.41 -0.64 1.82 4.81 -0.32 -0.13 114.58 121.59 3hf9 h GLU 67 Ca 0.22 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3hf9 h GLU 67 Cb 0.34 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 3hf9 h GLU 67 CO -0.00 0.66 0.42 0.87 -0.73 0.00 0.00 179.01 180.24 3hf9 h LYS 68 N 0.14 0.80 -0.07 1.92 1.57 -0.86 0.14 116.57 120.22 3hf9 h LYS 68 Ca 0.05 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 58.59 3hf9 h LYS 68 Cb 0.51 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 3hf9 h LYS 68 CO 0.02 0.53 -0.78 -0.07 -0.57 0.00 0.00 179.45 178.58 3hf9 h LEU 69 N 0.83 0.52 -0.52 2.94 3.38 -0.95 -3.35 115.31 118.15 3hf9 h LEU 69 Ca 0.24 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3hf9 h LEU 69 Cb -0.03 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3hf9 h LEU 69 CO -0.06 1.11 -0.24 -0.62 0.09 0.00 0.00 178.44 178.72 3hf9 n GLU 70 N -3.82 2.74 0.00 1.13 -0.58 -0.10 -4.99 120.64 115.02 3hf9 n GLU 70 Ca -0.05 -0.41 0.00 0.00 -0.42 0.00 0.00 57.16 56.28 3hf9 n GLU 70 Cb 0.74 -1.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.60 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 0.94 2.93 3.31 0.62 0.00 0.48 -4.98 105.19 108.49 3hf9 n GLY 71 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.92 1.02 0.59 1.61 -7.23 -1.25 -4.94 120.40 108.27 3hf9 s VAL 72 Ca 0.00 -2.03 -0.15 0.00 -1.81 0.00 0.00 61.98 57.99 3hf9 s VAL 72 Cb 0.00 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 3hf9 s VAL 72 CO 0.00 -0.41 1.04 -2.84 -0.31 0.00 0.00 175.10 172.58 3hf9 s PRO 73 N -3.85 3.43 0.73 4.82 0.02 -1.26 -4.05 135.00 134.83 3hf9 s PRO 73 Ca 0.26 1.07 -0.15 0.00 0.02 0.00 0.00 61.00 62.20 3hf9 s PRO 73 Cb 0.05 -2.05 0.04 0.00 0.02 0.00 0.00 34.50 32.56 3hf9 s PRO 73 CO 0.07 -0.71 1.23 -0.51 -0.33 0.00 0.00 177.00 176.75 3hf9 s LEU 74 N -4.61 3.34 0.96 -5.54 1.43 -1.26 -5.02 118.68 107.98 3hf9 s LEU 74 Ca 0.61 2.44 -0.12 0.00 -1.03 0.00 0.00 54.13 56.03 3hf9 s LEU 74 Cb -0.14 -4.60 0.17 0.00 0.03 0.00 0.00 46.19 41.65 3hf9 s LEU 74 CO 0.40 -2.31 1.09 0.42 0.23 0.00 0.00 176.35 176.17 3hf9 s THR 75 N -1.86 2.39 0.11 5.49 -4.23 -1.26 -4.73 115.64 111.55 3hf9 s THR 75 Ca 0.76 0.13 -0.21 0.00 -1.18 0.00 0.00 61.69 61.19 3hf9 s THR 75 Cb -0.31 -2.51 -0.09 0.00 1.34 0.00 0.00 72.50 70.93 3hf9 s THR 75 CO 0.45 -0.16 1.75 0.15 -0.54 0.00 0.00 174.62 176.27 3hf9 h PHE 76 N -1.82 0.10 -0.79 3.99 3.57 -1.96 -0.21 116.94 119.81 3hf9 h PHE 76 Ca -0.52 0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.17 3hf9 h PHE 76 Cb 1.30 -0.03 -0.14 0.00 2.79 0.00 0.00 35.95 39.88 3hf9 h PHE 76 CO 0.38 0.05 0.02 0.00 -2.23 0.00 0.00 178.31 176.53 3hf9 h ALA 77 N 1.07 0.85 -0.21 2.41 0.00 -1.99 -0.86 119.26 120.53 3hf9 h ALA 77 Ca 0.05 0.25 0.04 0.00 0.00 0.00 0.00 54.91 55.26 3hf9 h ALA 77 Cb 0.02 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3hf9 h ALA 77 CO -0.05 -0.44 -0.06 0.78 0.00 0.00 0.00 179.25 179.48 3hf9 h GLY 78 N 0.10 0.13 0.22 0.00 0.00 -1.43 0.33 103.07 102.43 3hf9 h GLY 78 Ca 0.44 0.08 0.08 0.00 0.00 0.00 0.00 47.33 47.94 3hf9 h GLY 78 CO -0.70 -0.09 -0.09 0.50 0.00 0.00 0.00 176.54 176.16 3hf9 h LYS 79 N -0.02 0.01 -0.64 4.80 1.57 0.03 -1.02 116.57 121.30 3hf9 h LYS 79 Ca 0.10 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.93 3hf9 h LYS 79 Cb 0.18 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 3hf9 h LYS 79 CO -0.23 0.01 0.38 0.82 -0.57 0.00 0.00 179.45 179.86 3hf9 h ILE 80 N 0.01 1.03 0.44 1.86 2.04 -0.75 -1.61 117.51 120.52 3hf9 h ILE 80 Ca 0.19 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3hf9 h ILE 80 Cb 0.29 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 3hf9 h ILE 80 CO -0.40 0.13 -0.40 -1.13 0.00 0.00 0.00 178.15 176.35 3hf9 h ASN 81 N 0.72 -1.07 -0.80 1.72 -1.24 0.17 0.08 115.58 115.16 3hf9 h ASN 81 Ca 0.27 0.09 0.11 0.00 0.71 0.00 0.00 56.30 57.48 3hf9 h ASN 81 Cb 0.10 0.35 -0.08 0.00 0.73 0.00 0.00 38.32 39.42 3hf9 h ASN 81 CO -0.14 -0.56 0.42 0.03 -1.29 0.00 0.00 177.43 175.89 3hf9 h ARG 82 N -0.85 0.65 0.16 6.67 2.47 -1.12 0.21 114.38 122.57 3hf9 h ARG 82 Ca -0.04 -0.04 0.01 0.00 -1.26 0.00 0.00 59.98 58.65 3hf9 h ARG 82 Cb 0.74 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.88 3hf9 h ARG 82 CO -0.04 0.43 -0.29 1.25 0.56 0.00 0.00 179.97 181.88 3hf9 h LEU 83 N 0.67 -0.81 -0.90 3.04 6.46 -0.92 -0.07 115.31 122.77 3hf9 h LEU 83 Ca 0.41 0.09 0.03 0.00 -0.12 0.00 0.00 57.88 58.29 3hf9 h LEU 83 Cb 0.48 0.30 -0.05 0.00 -0.73 0.00 0.00 40.66 40.66 3hf9 h LEU 83 CO -0.30 -0.39 0.59 0.00 -0.62 0.00 0.00 178.44 177.72 3hf9 h ALA 84 N 0.15 1.18 -0.50 1.25 0.00 -0.08 0.13 119.26 121.39 3hf9 h ALA 84 Ca 0.02 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hf9 h ALA 84 Cb 0.54 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3hf9 h ALA 84 CO -0.14 0.47 0.29 0.82 0.00 0.00 0.00 179.25 180.69 3hf9 h ILE 85 N 1.16 1.04 -0.25 0.00 2.04 -0.64 0.15 117.51 121.02 3hf9 h ILE 85 Ca 0.35 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 66.01 3hf9 h ILE 85 Cb -0.03 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 3hf9 h ILE 85 CO -0.11 0.11 0.15 -0.03 0.00 0.00 0.00 178.15 178.27 3hf9 h MET 86 N 0.58 0.34 -0.11 2.37 4.05 0.18 0.14 114.93 122.48 3hf9 h MET 86 Ca 0.20 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.59 3hf9 h MET 86 Cb 0.03 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 3hf9 h MET 86 CO -0.10 0.27 0.06 0.28 0.23 0.00 0.00 176.91 177.66 3hf9 h VAL 87 N 0.32 1.01 -0.08 -5.77 2.07 -0.36 -2.15 116.25 111.29 3hf9 h VAL 87 Ca 0.09 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 3hf9 h VAL 87 Cb 0.02 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3hf9 h VAL 87 CO -0.02 0.02 -0.07 0.03 0.02 0.00 0.00 177.57 177.56 3hf9 h ARG 88 N 0.13 0.11 -0.74 1.57 3.08 -0.47 -2.02 114.38 116.04 3hf9 h ARG 88 Ca 0.04 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3hf9 h ARG 88 Cb -0.00 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 3hf9 h ARG 88 CO -0.02 0.19 0.46 0.78 -1.07 0.00 0.00 179.97 180.31 3hf9 h GLY 89 N 0.43 1.06 1.28 0.04 0.00 -0.08 -2.84 103.07 102.97 3hf9 h GLY 89 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3hf9 h GLY 89 CO 0.01 0.41 -0.61 3.43 0.00 0.00 0.00 176.54 179.79 3hf9 h ASN 90 N 1.02 0.00 0.67 0.19 2.35 -0.98 -3.15 115.58 115.67 3hf9 h ASN 90 Ca 0.27 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3hf9 h ASN 90 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.30 3hf9 h ASN 90 CO -0.05 0.06 -0.25 0.18 -1.65 0.00 0.00 177.43 175.71 3hf9 n LEU 91 N -2.40 0.32 -0.05 1.61 4.77 -1.03 -3.95 117.00 116.26 3hf9 n LEU 91 Ca 0.03 0.19 -0.02 0.00 -0.03 0.00 0.00 56.01 56.17 3hf9 n LEU 91 Cb 0.48 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 3hf9 n LEU 91 CO 0.37 0.07 -0.17 0.00 -1.33 0.00 0.00 177.39 176.33 3hf9 h ALA 92 N 3.09 0.00 0.00 -1.18 0.00 -1.49 -3.52 119.26 116.17 3hf9 h ALA 92 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3hf9 h ALA 92 Cb 0.48 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3hf9 h ALA 92 CO 0.00 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.49 3hf9 n ALA 93 N -3.12 2.18 -2.63 0.00 0.00 -1.20 -5.15 120.51 110.58 3hf9 n ALA 93 Ca -0.03 -0.08 -0.31 0.00 0.00 0.00 0.00 53.44 53.01 3hf9 n ALA 93 Cb 0.13 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.15 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 -1.54 5.46 -4.39 0.00 4.77 -1.26 -5.08 117.00 114.96 3hf9 n LEU 99 Ca 0.06 -5.40 -0.45 0.00 -0.03 0.00 0.00 56.01 50.20 3hf9 n LEU 99 Cb 0.31 -0.71 -0.04 0.00 -2.33 0.00 0.00 43.42 40.65 3hf9 n LEU 99 CO 0.24 2.19 0.53 0.00 -1.33 0.00 0.00 177.39 179.03 3hf9 s ALA 100 N -3.73 3.44 -0.32 -1.18 0.00 -1.26 -5.02 121.76 113.70 3hf9 s ALA 100 Ca 0.47 -2.39 -0.12 0.00 0.00 0.00 0.00 51.96 49.93 3hf9 s ALA 100 Cb 0.32 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 3hf9 s ALA 100 CO -0.19 -2.49 0.21 -0.51 0.00 0.00 0.00 175.76 172.79 3hf9 s LEU 101 N 2.57 4.29 0.59 0.00 2.01 -1.26 -5.00 118.68 121.88 3hf9 s LEU 101 Ca 0.16 -0.31 -0.15 0.00 0.01 0.00 0.00 54.13 53.85 3hf9 s LEU 101 Cb -0.19 -2.11 -0.04 0.00 0.01 0.00 0.00 46.19 43.86 3hf9 s LEU 101 CO 0.03 -0.17 1.04 -2.84 1.01 0.00 0.00 176.35 175.42 3hf9 s PRO 102 N 1.72 3.39 -0.12 1.29 0.02 -1.26 -4.32 135.00 135.71 3hf9 s PRO 102 Ca 0.06 1.13 0.02 0.00 0.02 0.00 0.00 61.00 62.23 3hf9 s PRO 102 Cb -0.17 -2.05 0.01 0.00 0.02 0.00 0.00 34.50 32.32 3hf9 s PRO 102 CO 0.10 -0.74 -0.18 -1.17 -0.33 0.00 0.00 177.00 174.68 3hf9 s LEU 103 N -4.54 1.87 -0.14 -5.54 0.20 0.27 -3.11 118.68 107.69 3hf9 s LEU 103 Ca 0.62 -0.50 -0.01 0.00 0.69 0.00 0.00 54.13 54.93 3hf9 s LEU 103 Cb -0.15 -1.23 -0.02 0.00 -0.43 0.00 0.00 46.19 44.36 3hf9 s LEU 103 CO 0.38 0.04 -0.09 -0.22 -0.29 0.00 0.00 176.35 176.17 3hf9 s LEU 104 N 0.95 2.95 -0.04 -0.68 2.96 0.12 -1.56 118.68 123.37 3hf9 s LEU 104 Ca -0.06 -0.23 0.06 0.00 -0.22 0.00 0.00 54.13 53.68 3hf9 s LEU 104 Cb -0.15 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 3hf9 s LEU 104 CO -0.02 0.18 -0.24 0.00 -1.32 0.00 0.00 176.35 174.95 3hf9 s ALA 105 N 0.29 2.23 0.24 5.97 0.00 -0.37 -0.67 121.76 129.46 3hf9 s ALA 105 Ca -0.07 -1.07 -0.13 0.00 0.00 0.00 0.00 51.96 50.70 3hf9 s ALA 105 Cb -0.15 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 22.30 3hf9 s ALA 105 CO 0.04 0.48 0.47 0.20 0.00 0.00 0.00 175.76 176.95 3hf9 s GLY 106 N -0.41 0.54 -0.10 0.00 0.00 -0.54 -0.95 107.32 105.86 3hf9 s GLY 106 Ca 0.04 -0.89 0.02 0.00 0.00 0.00 0.00 44.72 43.89 3hf9 s GLY 106 CO 0.01 -0.64 -0.15 -0.47 0.00 0.00 0.00 173.10 171.85 3hf9 s TYR 107 N -4.02 1.94 -0.53 1.90 5.04 0.19 -0.08 117.35 121.79 3hf9 s TYR 107 Ca 0.23 -0.87 -0.19 0.00 -2.44 0.00 0.00 57.07 53.79 3hf9 s TYR 107 Cb -0.00 -1.39 0.07 0.00 0.35 0.00 0.00 41.96 40.98 3hf9 s TYR 107 CO 0.09 -0.44 0.67 0.34 -1.34 0.00 0.00 175.55 174.87 3hf9 s ASP 108 N 0.88 6.22 0.25 4.32 2.15 -0.43 -4.83 116.67 125.23 3hf9 s ASP 108 Ca -0.09 -0.97 -0.01 0.00 0.43 0.00 0.00 52.55 51.91 3hf9 s ASP 108 Cb -0.15 -2.31 0.29 0.00 -0.30 0.00 0.00 42.92 40.45 3hf9 s ASP 108 CO 0.00 -0.97 1.66 0.16 -0.17 0.00 0.00 175.17 175.85 3hf9 h ILE 109 N 5.89 1.28 0.00 4.11 3.07 -1.98 -2.55 117.51 127.32 3hf9 h ILE 109 Ca -0.28 -1.36 0.00 0.00 1.55 0.00 0.00 64.86 64.77 3hf9 h ILE 109 Cb 1.09 1.35 0.00 0.00 -0.27 0.00 0.00 36.82 39.00 3hf9 h ILE 109 CO 1.00 0.44 0.00 1.41 -1.05 0.00 0.00 178.15 179.95 3hf9 n HIS 110 N -4.09 0.00 -2.46 0.16 8.25 -1.26 -4.80 115.22 111.01 3hf9 n HIS 110 Ca -0.01 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 3hf9 n HIS 110 Cb 0.44 -0.10 -0.04 0.00 1.12 0.00 0.00 29.99 31.41 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 -2.20 3.29 0.08 -1.41 0.00 -0.96 -4.95 121.76 115.60 3hf9 s ALA 111 Ca 0.16 0.86 -0.24 0.00 0.00 0.00 0.00 51.96 52.74 3hf9 s ALA 111 Cb 0.08 -3.32 -0.16 0.00 0.00 0.00 0.00 23.12 19.72 3hf9 s ALA 111 CO 0.15 -0.23 1.69 0.66 0.00 0.00 0.00 175.76 178.03 3hf9 h SER 112 N 3.29 -0.03 -3.54 0.00 4.64 -1.90 -3.40 113.55 112.61 3hf9 h SER 112 Ca -0.47 -0.05 -0.71 0.00 -0.47 0.00 0.00 61.79 60.08 3hf9 h SER 112 Cb 1.22 0.01 -0.23 0.00 -0.31 0.00 0.00 62.40 63.09 3hf9 h SER 112 CO 0.65 0.03 -0.47 -0.62 -0.87 0.00 0.00 176.83 175.55 3hf9 s ASP 113 N -5.21 5.94 0.53 4.97 3.68 -1.26 -4.97 116.67 120.35 3hf9 s ASP 113 Ca -0.13 -0.94 0.35 0.00 2.13 0.00 0.00 52.55 53.95 3hf9 s ASP 113 Cb 0.05 -2.10 1.65 0.00 -1.45 0.00 0.00 42.92 41.07 3hf9 s ASP 113 CO 0.66 -0.42 2.04 -0.65 0.13 0.00 0.00 175.17 176.93 3hf9 h PRO 114 N 8.54 0.00 -0.35 4.34 0.11 -1.94 -2.77 132.00 139.93 3hf9 h PRO 114 Ca -0.26 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.75 3hf9 h PRO 114 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3hf9 h PRO 114 CO 0.70 0.00 -0.15 1.96 -0.21 0.00 0.00 178.00 180.30 3hf9 h GLN 115 N 0.00 0.72 -1.32 1.05 1.08 -1.93 -3.25 115.11 111.47 3hf9 h GLN 115 Ca 0.00 -0.31 -0.63 0.00 -1.45 0.00 0.00 58.65 56.26 3hf9 h GLN 115 Cb 0.28 -0.02 -0.37 0.00 -0.05 0.00 0.00 27.48 27.31 3hf9 h GLN 115 CO 0.00 0.91 -0.15 -1.13 -0.95 0.00 0.00 178.83 177.51 3hf9 n SER 116 N -4.33 5.79 -0.26 1.46 3.41 -1.06 0.02 113.62 118.65 3hf9 n SER 116 Ca -0.02 -3.76 0.13 0.00 -0.26 0.00 0.00 58.87 54.95 3hf9 n SER 116 Cb 0.39 -0.63 0.30 0.00 -0.26 0.00 0.00 64.21 64.02 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 -0.62 3.22 -1.76 7.33 0.00 -1.14 -4.90 120.51 122.63 3hf9 n ALA 117 Ca 0.47 -0.44 -0.38 0.00 0.00 0.00 0.00 53.44 53.09 3hf9 n ALA 117 Cb 0.66 -1.08 0.01 0.00 0.00 0.00 0.00 19.45 19.05 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 -2.54 2.85 0.00 0.00 0.00 -1.26 -1.31 107.32 105.06 3hf9 s GLY 118 Ca 0.22 1.16 0.01 0.00 0.00 0.00 0.00 44.72 46.11 3hf9 s GLY 118 CO 0.55 1.66 -0.03 0.50 0.00 0.00 0.00 173.10 175.77 3hf9 s ARG 119 N -2.72 0.27 -0.06 2.90 1.81 0.88 -4.89 118.95 117.15 3hf9 s ARG 119 Ca 0.66 -0.22 0.00 0.00 -1.72 0.00 0.00 55.73 54.45 3hf9 s ARG 119 Cb -0.35 -0.20 0.02 0.00 -0.45 0.00 0.00 34.95 33.97 3hf9 s ARG 119 CO 0.43 0.05 -0.03 0.42 -0.68 0.00 0.00 175.30 175.49 3hf9 s ILE 120 N -0.34 0.51 -0.05 1.52 1.01 -1.26 -1.47 121.20 121.11 3hf9 s ILE 120 Ca -0.02 -0.05 0.04 0.00 0.00 0.00 0.00 60.65 60.62 3hf9 s ILE 120 Cb -0.03 -0.57 0.00 0.00 0.01 0.00 0.00 42.46 41.87 3hf9 s ILE 120 CO -0.00 0.24 -0.16 -0.69 0.00 0.00 0.00 174.94 174.33 3hf9 s VAL 121 N 1.29 1.40 0.38 2.92 1.01 0.16 -1.79 120.40 125.77 3hf9 s VAL 121 Ca -0.05 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.30 3hf9 s VAL 121 Cb -0.14 -1.22 -0.06 0.00 0.00 0.00 0.00 36.38 34.96 3hf9 s VAL 121 CO -0.02 0.41 0.04 -0.94 0.00 0.00 0.00 175.10 174.59 3hf9 s SER 122 N 0.24 3.13 -0.03 3.32 1.04 -0.55 0.11 113.70 120.97 3hf9 s SER 122 Ca -0.08 -1.43 0.05 0.00 0.48 0.00 0.00 55.95 54.97 3hf9 s SER 122 Cb -0.13 -0.08 -0.01 0.00 0.10 0.00 0.00 66.02 65.89 3hf9 s SER 122 CO 0.03 -0.61 -0.20 -0.36 0.98 0.00 0.00 173.24 173.09 3hf9 s PHE 123 N -3.04 1.84 0.88 5.02 0.40 -1.18 -1.42 117.98 120.49 3hf9 s PHE 123 Ca 0.32 -0.44 -0.12 0.00 -0.60 0.00 0.00 56.93 56.08 3hf9 s PHE 123 Cb 0.08 -1.21 0.16 0.00 0.51 0.00 0.00 43.02 42.56 3hf9 s PHE 123 CO 0.15 -0.10 1.23 0.16 0.70 0.00 0.00 175.22 177.36 3hf9 s ASP 124 N -0.25 3.65 0.44 1.36 1.47 -0.71 -4.82 116.67 117.82 3hf9 s ASP 124 Ca 0.02 0.27 0.25 0.00 1.18 0.00 0.00 52.55 54.28 3hf9 s ASP 124 Cb -0.10 -0.49 1.28 0.00 -0.34 0.00 0.00 42.92 43.27 3hf9 s ASP 124 CO 0.01 -2.38 1.75 0.00 0.68 0.00 0.00 175.17 175.23 3hf9 h ALA 125 N -1.30 2.56 -0.69 2.11 0.00 -2.01 -1.41 119.26 118.52 3hf9 h ALA 125 Ca -0.43 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3hf9 h ALA 125 Cb 1.26 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3hf9 h ALA 125 CO 0.45 -0.98 0.00 0.00 0.00 0.00 0.00 179.25 178.71 3hf9 n ALA 126 N -2.56 2.75 -0.93 0.00 0.00 -1.26 -4.93 120.51 113.58 3hf9 n ALA 126 Ca 0.27 -1.47 0.00 0.00 0.00 0.00 0.00 53.44 52.25 3hf9 n ALA 126 Cb 1.07 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 1.37 0.43 3.72 0.00 0.00 -0.53 -4.97 105.19 105.20 3hf9 n GLY 127 Ca 0.25 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.88 2.26 0.73 -0.02 0.00 -1.26 -4.62 107.32 101.52 3hf9 s GLY 128 Ca 0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 44.72 44.23 3hf9 s GLY 128 CO 0.00 0.56 1.07 0.66 0.00 0.00 0.00 173.10 175.39 3hf9 s TRP 129 N 0.57 3.05 -0.19 1.90 1.48 -1.26 -1.74 118.94 122.75 3hf9 s TRP 129 Ca 0.19 1.29 -0.10 0.00 -1.06 0.00 0.00 56.10 56.43 3hf9 s TRP 129 Cb -0.14 -2.97 0.07 0.00 -1.16 0.00 0.00 33.47 29.27 3hf9 s TRP 129 CO 0.06 -1.40 0.46 1.21 -4.06 0.00 0.00 176.95 173.22 3hf9 s ASN 130 N -3.90 -0.53 -0.07 -2.66 3.04 -0.50 -4.89 114.94 105.43 3hf9 s ASN 130 Ca 0.59 1.02 -0.15 0.00 0.04 0.00 0.00 52.86 54.35 3hf9 s ASN 130 Cb -0.14 1.04 -0.05 0.00 -1.54 0.00 0.00 41.25 40.56 3hf9 s ASN 130 CO 0.54 -0.21 0.40 -0.63 -3.04 0.00 0.00 177.10 174.16 3hf9 s ILE 131 N 1.78 5.14 -0.29 -5.21 1.01 -1.26 -1.48 121.20 120.90 3hf9 s ILE 131 Ca -0.08 0.80 -0.20 0.00 0.00 0.00 0.00 60.65 61.17 3hf9 s ILE 131 Cb -0.09 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 3hf9 s ILE 131 CO -0.14 0.47 0.59 -1.61 0.00 0.00 0.00 174.94 174.25 3hf9 s GLU 132 N -0.27 3.95 0.00 2.79 0.41 -0.74 -4.89 118.70 119.95 3hf9 s GLU 132 Ca 0.23 0.31 0.14 0.00 -0.41 0.00 0.00 54.97 55.23 3hf9 s GLU 132 Cb -0.15 -3.71 0.08 0.00 -1.78 0.00 0.00 34.13 28.57 3hf9 s GLU 132 CO 0.10 -0.50 0.89 0.39 -0.49 0.00 0.00 175.26 175.65 3hf9 n GLU 133 N 5.77 1.16 0.01 1.61 1.02 -1.26 -4.34 120.64 124.61 3hf9 n GLU 133 Ca -0.02 -1.18 0.13 0.00 -0.02 0.00 0.00 57.16 56.07 3hf9 n GLU 133 Cb 0.49 -1.25 0.42 0.00 -0.02 0.00 0.00 31.44 31.09 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 0.54 0.04 0.00 3.49 1.02 -1.26 -4.95 120.64 119.52 3hf9 n GLU 134 Ca 0.07 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 3hf9 n GLU 134 Cb 0.33 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 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 1.47 3.09 3.23 0.62 0.00 -1.26 -5.02 105.19 107.32 3hf9 n GLY 135 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.93 1.35 -0.14 1.61 1.13 -1.26 -0.50 117.35 116.60 3hf9 s TYR 136 Ca 0.00 -1.45 -0.31 0.00 -1.41 0.00 0.00 57.07 53.90 3hf9 s TYR 136 Cb 0.00 -0.63 0.13 0.00 -1.10 0.00 0.00 41.96 40.36 3hf9 s TYR 136 CO 0.00 -0.68 1.07 -1.14 -2.51 0.00 0.00 175.55 172.29 3hf9 s GLN 137 N -3.95 0.51 -0.06 -3.49 2.00 -0.58 -4.93 119.66 109.16 3hf9 s GLN 137 Ca 0.39 -0.06 -0.17 0.00 -2.00 0.00 0.00 55.36 53.52 3hf9 s GLN 137 Cb 0.06 0.23 0.04 0.00 0.80 0.00 0.00 33.01 34.14 3hf9 s GLN 137 CO 0.16 -0.20 0.40 0.00 -0.50 0.00 0.00 175.29 175.16 3hf9 s ALA 138 N -2.00 -1.01 0.15 1.58 0.00 -1.26 -0.86 121.76 118.36 3hf9 s ALA 138 Ca 0.04 0.72 0.05 0.00 0.00 0.00 0.00 51.96 52.77 3hf9 s ALA 138 Cb -0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 3hf9 s ALA 138 CO -0.04 -0.26 -0.10 0.14 0.00 0.00 0.00 175.76 175.50 3hf9 s VAL 139 N -0.88 1.19 0.00 0.00 -7.23 -0.69 -4.88 120.40 107.91 3hf9 s VAL 139 Ca -0.09 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.01 3hf9 s VAL 139 Cb -0.04 -1.88 0.00 0.00 0.56 0.00 0.00 36.38 35.03 3hf9 s VAL 139 CO 0.04 -0.72 0.00 0.61 -0.31 0.00 0.00 175.10 174.72 3hf9 n GLY 140 N -0.21 0.98 0.32 2.32 0.00 -1.26 -1.36 105.19 105.98 3hf9 n GLY 140 Ca -0.10 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.78 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 0.72 -0.12 1.61 4.64 -1.96 -0.20 113.55 118.23 3hf9 h SER 141 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3hf9 h SER 141 Cb 0.00 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 3hf9 h SER 141 CO 0.00 0.60 0.00 0.61 -0.87 0.00 0.00 176.83 177.17 3hf9 n GLY 142 N -1.21 -0.38 0.30 -0.77 0.00 -1.26 -4.44 105.19 97.43 3hf9 n GLY 142 Ca 0.05 -0.17 0.04 0.00 0.00 0.00 0.00 46.02 45.94 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 0.83 0.44 -0.34 1.61 4.64 -1.25 -2.19 113.55 117.30 3hf9 h SER 143 Ca 0.00 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.18 3hf9 h SER 143 Cb 0.19 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3hf9 h SER 143 CO 0.00 0.34 -0.25 -0.07 -0.87 0.00 0.00 176.83 175.98 3hf9 h LEU 144 N 0.51 0.80 -0.59 5.97 3.38 -1.81 -1.26 115.31 122.31 3hf9 h LEU 144 Ca 0.14 -0.44 -0.14 0.00 0.09 0.00 0.00 57.88 57.53 3hf9 h LEU 144 Cb -0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3hf9 h LEU 144 CO -0.03 1.07 -0.34 -0.26 0.09 0.00 0.00 178.44 178.98 3hf9 h PHE 145 N 0.54 0.88 -0.08 1.13 0.04 -1.75 -1.68 116.94 116.03 3hf9 h PHE 145 Ca 0.06 -0.24 -0.01 0.00 2.80 0.00 0.00 57.97 60.58 3hf9 h PHE 145 Cb 0.81 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.77 3hf9 h PHE 145 CO 0.06 0.98 -0.01 0.00 -0.60 0.00 0.00 178.31 178.75 3hf9 h ALA 146 N 0.99 0.10 -0.72 2.45 0.00 -1.25 -0.66 119.26 120.18 3hf9 h ALA 146 Ca 0.06 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.81 3hf9 h ALA 146 Cb 0.87 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3hf9 h ALA 146 CO 0.08 -0.20 0.45 0.87 0.00 0.00 0.00 179.25 180.45 3hf9 h LYS 147 N -0.17 0.86 0.00 0.00 1.57 -1.21 -0.66 116.57 116.96 3hf9 h LYS 147 Ca 0.02 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 3hf9 h LYS 147 Cb 0.38 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3hf9 h LYS 147 CO 0.01 0.57 -0.31 0.77 -0.57 0.00 0.00 179.45 179.91 3hf9 h SER 148 N 0.88 0.00 -0.11 0.86 0.02 -1.04 -0.38 113.55 113.78 3hf9 h SER 148 Ca 0.29 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.12 3hf9 h SER 148 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3hf9 h SER 148 CO -0.11 0.31 -0.40 -1.28 -1.14 0.00 0.00 176.83 174.22 3hf9 h SER 149 N 0.00 0.54 -0.90 3.07 0.87 -0.62 -3.24 113.55 113.27 3hf9 h SER 149 Ca -0.00 -0.62 0.02 0.00 -1.23 0.00 0.00 61.79 59.96 3hf9 h SER 149 Cb 0.62 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.37 3hf9 h SER 149 CO 0.04 1.06 0.59 0.24 -0.53 0.00 0.00 176.83 178.24 3hf9 h MET 150 N 0.04 1.14 -0.94 2.24 2.07 -0.64 -1.33 114.93 117.52 3hf9 h MET 150 Ca -0.02 -0.07 0.25 0.00 -2.07 0.00 0.00 59.70 57.80 3hf9 h MET 150 Cb 1.03 -0.26 -0.13 0.00 -1.87 0.00 0.00 31.60 30.37 3hf9 h MET 150 CO 0.08 0.75 0.44 -0.22 1.07 0.00 0.00 176.91 179.04 3hf9 h LYS 151 N 1.17 0.36 0.00 1.72 3.64 -1.10 0.33 116.57 122.69 3hf9 h LYS 151 Ca 0.35 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.50 3hf9 h LYS 151 Cb -0.05 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 3hf9 h LYS 151 CO -0.10 0.24 -1.19 0.87 -2.27 0.00 0.00 179.45 177.00 3hf9 h LYS 152 N 0.37 0.00 0.00 1.90 1.79 -1.33 -3.36 116.57 115.94 3hf9 h LYS 152 Ca 0.62 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.09 3hf9 h LYS 152 Cb 1.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 3hf9 h LYS 152 CO -0.57 0.61 -1.02 1.28 -1.08 0.00 0.00 179.45 178.67 3hf9 n LEU 153 N -3.14 0.70 -0.05 2.94 4.77 -0.36 -4.48 117.00 117.37 3hf9 n LEU 153 Ca -0.06 -0.21 -0.04 0.00 -0.03 0.00 0.00 56.01 55.66 3hf9 n LEU 153 Cb 0.91 -0.07 0.18 0.00 -2.33 0.00 0.00 43.42 42.11 3hf9 n LEU 153 CO 0.44 0.14 0.81 0.22 -1.33 0.00 0.00 177.39 177.67 3hf9 h TYR 154 N 0.00 0.71 -1.48 -1.77 3.20 -0.57 -1.71 116.97 115.36 3hf9 h TYR 154 Ca 0.00 -0.12 0.44 0.00 3.14 0.00 0.00 58.73 62.18 3hf9 h TYR 154 Cb 0.62 -0.19 -0.08 0.00 1.54 0.00 0.00 36.73 38.63 3hf9 h TYR 154 CO 0.00 0.74 1.04 0.66 -1.64 0.00 0.00 178.16 178.96 3hf9 h SER 155 N 0.60 0.09 -0.04 -2.11 4.64 -1.83 0.19 113.55 115.09 3hf9 h SER 155 Ca 0.10 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3hf9 h SER 155 Cb 0.55 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3hf9 h SER 155 CO 0.03 -0.03 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3hf9 n GLN 156 N -4.24 1.22 -3.10 4.77 6.02 -0.64 -4.82 117.38 116.59 3hf9 n GLN 156 Ca 0.34 -0.32 -0.41 0.00 -0.01 0.00 0.00 57.00 56.60 3hf9 n GLN 156 Cb 1.52 -1.38 -0.06 0.00 1.02 0.00 0.00 30.24 31.34 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 -1.96 4.97 0.00 5.09 1.01 0.67 -4.83 120.40 125.35 3hf9 s VAL 157 Ca 0.34 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.42 3hf9 s VAL 157 Cb 0.17 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.59 3hf9 s VAL 157 CO 0.27 -0.01 0.00 0.35 0.00 0.00 0.00 175.10 175.71 3hf9 n THR 158 N 5.24 0.00 -4.11 3.92 -2.24 -1.26 -4.85 114.28 110.98 3hf9 n THR 158 Ca -0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.70 3hf9 n THR 158 Cb 0.49 -0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.51 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 -0.99 -0.19 0.20 3.42 5.75 -1.26 -4.51 116.55 118.97 3hf9 n ASP 159 Ca 0.00 -1.81 0.05 0.00 -0.01 0.00 0.00 54.79 53.02 3hf9 n ASP 159 Cb 0.14 0.61 0.40 0.00 -1.03 0.00 0.00 41.12 41.24 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 0.75 0.00 0.90 6.12 0.00 -1.96 -2.04 103.07 106.84 3hf9 h GLY 160 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.09 3hf9 h GLY 160 CO 0.13 0.00 -0.52 -1.80 0.00 0.00 0.00 176.54 174.35 3hf9 h ASP 161 N 0.00 0.65 0.17 0.19 -0.00 -1.99 -1.22 116.42 114.23 3hf9 h ASP 161 Ca -0.00 -0.64 -0.16 0.00 -0.00 0.00 0.00 57.03 56.23 3hf9 h ASP 161 Cb 0.70 -0.19 -0.01 0.00 -0.00 0.00 0.00 39.33 39.83 3hf9 h ASP 161 CO 0.04 1.18 -0.62 0.77 -0.00 0.00 0.00 179.24 180.61 3hf9 h SER 162 N 0.16 0.50 -0.50 2.28 4.64 -1.90 -1.89 113.55 116.83 3hf9 h SER 162 Ca -0.03 -0.29 0.04 0.00 -0.47 0.00 0.00 61.79 61.04 3hf9 h SER 162 Cb 1.16 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 63.06 3hf9 h SER 162 CO 0.11 0.99 0.27 1.23 -0.87 0.00 0.00 176.83 178.56 3hf9 h GLY 163 N 1.21 0.71 1.00 -0.77 0.00 -1.35 0.28 103.07 104.14 3hf9 h GLY 163 Ca -0.01 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.15 3hf9 h GLY 163 CO 0.11 0.13 0.55 -2.00 0.00 0.00 0.00 176.54 175.33 3hf9 h LEU 164 N 0.52 0.95 -0.16 3.11 6.46 -0.86 -1.56 115.31 123.76 3hf9 h LEU 164 Ca 0.22 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.93 3hf9 h LEU 164 Cb 0.11 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 3hf9 h LEU 164 CO -0.14 0.68 0.00 -0.09 -0.62 0.00 0.00 178.44 178.27 3hf9 h ARG 165 N 1.12 0.28 -0.69 1.25 2.43 -0.52 -1.32 114.38 116.94 3hf9 h ARG 165 Ca 0.31 -0.09 0.06 0.00 -0.81 0.00 0.00 59.98 59.45 3hf9 h ARG 165 Cb -0.12 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.35 3hf9 h ARG 165 CO -0.07 0.50 0.39 0.28 -1.51 0.00 0.00 179.97 179.57 3hf9 h VAL 166 N 0.03 0.97 -0.37 0.20 2.07 -0.95 0.21 116.25 118.42 3hf9 h VAL 166 Ca 0.05 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.35 3hf9 h VAL 166 Cb 0.38 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3hf9 h VAL 166 CO 0.01 0.13 0.18 0.00 0.02 0.00 0.00 177.57 177.91 3hf9 h ALA 167 N 1.36 0.45 -0.46 1.67 0.00 -1.03 0.90 119.26 122.14 3hf9 h ALA 167 Ca 0.31 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 3hf9 h ALA 167 Cb 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3hf9 h ALA 167 CO -0.18 -0.18 0.14 0.28 0.00 0.00 0.00 179.25 179.31 3hf9 h VAL 168 N 0.38 1.22 -0.80 0.00 2.07 -0.51 -1.80 116.25 116.81 3hf9 h VAL 168 Ca 0.15 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 3hf9 h VAL 168 Cb 0.06 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 3hf9 h VAL 168 CO -0.11 0.27 0.42 -0.08 0.02 0.00 0.00 177.57 178.09 3hf9 h GLU 169 N 0.61 1.12 -0.78 1.57 4.81 -0.32 0.16 114.58 121.75 3hf9 h GLU 169 Ca 0.15 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3hf9 h GLU 169 Cb 0.27 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 3hf9 h GLU 169 CO -0.00 0.84 0.51 0.00 -0.73 0.00 0.00 179.01 179.63 3hf9 h ALA 170 N 1.33 0.99 0.00 2.92 0.00 -0.63 0.41 119.26 124.29 3hf9 h ALA 170 Ca 0.28 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3hf9 h ALA 170 Cb 0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3hf9 h ALA 170 CO -0.04 0.41 -0.30 -0.07 0.00 0.00 0.00 179.25 179.25 3hf9 h LEU 171 N 1.06 0.00 -0.10 0.00 3.38 -0.62 -0.98 115.31 118.05 3hf9 h LEU 171 Ca 0.29 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.01 3hf9 h LEU 171 Cb -0.11 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.65 3hf9 h LEU 171 CO -0.06 0.30 -0.92 0.22 0.09 0.00 0.00 178.44 178.08 3hf9 h TYR 172 N 0.00 1.01 -0.27 1.13 3.20 -0.23 -2.36 116.97 119.44 3hf9 h TYR 172 Ca -0.00 -0.50 -0.09 0.00 3.14 0.00 0.00 58.73 61.28 3hf9 h TYR 172 Cb 0.70 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 3hf9 h TYR 172 CO 0.00 1.33 -0.20 -0.44 -1.64 0.00 0.00 178.16 177.21 3hf9 h ASP 173 N 0.44 0.50 -0.35 -2.11 3.32 -0.55 -1.79 116.42 115.88 3hf9 h ASP 173 Ca -0.09 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.78 3hf9 h ASP 173 Cb 1.55 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.96 3hf9 h ASP 173 CO 0.18 0.71 0.11 0.00 -1.72 0.00 0.00 179.24 178.52 3hf9 h ALA 174 N 1.34 0.46 0.00 3.45 0.00 -1.14 -2.52 119.26 120.84 3hf9 h ALA 174 Ca 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3hf9 h ALA 174 Cb 0.61 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3hf9 h ALA 174 CO 0.04 0.10 -0.07 0.00 0.00 0.00 0.00 179.25 179.32 3hf9 h ALA 175 N 0.95 1.05 0.00 0.00 0.00 -1.11 -0.38 119.26 119.77 3hf9 h ALA 175 Ca 0.11 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 3hf9 h ALA 175 Cb 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3hf9 h ALA 175 CO -0.00 0.08 -0.82 0.22 0.00 0.00 0.00 179.25 178.73 3hf9 h ASP 176 N 0.00 0.04 -0.00 0.00 3.58 -0.89 -3.33 116.42 115.83 3hf9 h ASP 176 Ca -0.00 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.41 3hf9 h ASP 176 Cb 0.47 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.50 3hf9 h ASP 176 CO 0.01 0.84 -0.17 0.47 -2.88 0.00 0.00 179.24 177.51 3hf9 n ASP 177 N -3.59 0.47 -4.02 2.28 8.00 -1.07 -4.97 116.55 113.65 3hf9 n ASP 177 Ca -0.01 -0.74 -0.24 0.00 0.71 0.00 0.00 54.79 54.51 3hf9 n ASP 177 Cb 0.78 0.79 -0.17 0.00 -0.02 0.00 0.00 41.12 42.51 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 -1.23 1.76 0.09 -2.24 2.15 -0.17 -5.03 116.67 112.00 3hf9 s ASP 178 Ca 0.03 -0.30 0.26 0.00 0.43 0.00 0.00 52.55 52.97 3hf9 s ASP 178 Cb 0.04 -0.81 0.67 0.00 -0.30 0.00 0.00 42.92 42.52 3hf9 s ASP 178 CO 0.16 0.04 1.57 -1.54 -0.17 0.00 0.00 175.17 175.23 3hf9 n SER 179 N 3.79 0.54 -0.04 -0.34 3.41 -1.26 -3.12 113.62 116.60 3hf9 n SER 179 Ca -0.23 0.22 0.12 0.00 -0.26 0.00 0.00 58.87 58.72 3hf9 n SER 179 Cb 0.52 -0.17 0.30 0.00 -0.26 0.00 0.00 64.21 64.60 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 -1.68 3.40 -2.79 7.33 0.00 -1.26 -4.73 120.51 120.78 3hf9 n ALA 180 Ca 0.05 -0.34 -0.35 0.00 0.00 0.00 0.00 53.44 52.80 3hf9 n ALA 180 Cb 0.39 -1.15 -0.09 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.92 5.01 0.05 0.00 2.01 -1.18 -4.68 115.64 113.92 3hf9 s THR 181 Ca 0.13 0.05 -0.19 0.00 0.31 0.00 0.00 61.69 61.99 3hf9 s THR 181 Cb 0.18 -3.28 -0.06 0.00 0.01 0.00 0.00 72.50 69.35 3hf9 s THR 181 CO 0.66 0.43 0.55 -0.83 -0.69 0.00 0.00 174.62 174.74 3hf9 s GLY 182 N 0.53 2.63 0.51 4.40 0.00 -1.26 -4.52 107.32 109.61 3hf9 s GLY 182 Ca 0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 44.72 44.71 3hf9 s GLY 182 CO 0.00 0.47 0.69 0.61 0.00 0.00 0.00 173.10 174.87 3hf9 n GLY 183 N 1.88 -0.33 3.66 0.20 0.00 -1.26 -4.50 105.19 104.83 3hf9 n GLY 183 Ca -0.10 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 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 -4.36 4.19 -0.59 1.61 0.02 -1.26 -4.90 135.00 129.70 3hf9 s PRO 184 Ca 0.42 1.97 -0.22 0.00 0.02 0.00 0.00 61.00 63.19 3hf9 s PRO 184 Cb -0.02 -3.91 0.07 0.00 0.02 0.00 0.00 34.50 30.66 3hf9 s PRO 184 CO 0.29 -0.81 0.86 0.34 -0.33 0.00 0.00 177.00 177.34 3hf9 s ASP 185 N 2.86 6.23 0.24 2.53 3.68 -0.79 -4.89 116.67 126.52 3hf9 s ASP 185 Ca 0.66 -0.87 0.10 0.00 2.13 0.00 0.00 52.55 54.57 3hf9 s ASP 185 Cb -0.29 -2.38 0.22 0.00 -1.45 0.00 0.00 42.92 39.02 3hf9 s ASP 185 CO 0.24 -1.23 1.52 -0.07 0.13 0.00 0.00 175.17 175.76 3hf9 h LEU 186 N 10.74 0.00 -0.30 -1.34 3.38 -1.93 0.92 115.31 126.78 3hf9 h LEU 186 Ca -0.28 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 3hf9 h LEU 186 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3hf9 h LEU 186 CO 1.10 0.70 0.14 0.58 0.09 0.00 0.00 178.44 181.05 3hf9 h VAL 187 N 0.00 1.16 0.00 1.22 2.07 -1.97 -3.09 116.25 115.63 3hf9 h VAL 187 Ca -0.01 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3hf9 h VAL 187 Cb 1.28 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3hf9 h VAL 187 CO 0.09 0.16 -0.75 0.54 0.02 0.00 0.00 177.57 177.63 3hf9 n ARG 188 N -4.77 0.05 -3.18 1.57 1.74 -1.22 -4.99 116.66 105.87 3hf9 n ARG 188 Ca -0.02 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.92 3hf9 n ARG 188 Cb 0.11 -1.52 0.07 0.00 -1.02 0.00 0.00 32.46 30.10 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 1.47 -0.20 3.25 -0.13 0.00 0.26 -5.02 105.19 104.82 3hf9 n GLY 189 Ca 0.04 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.28 2.51 0.30 -0.61 1.01 -0.84 -5.02 121.20 115.27 3hf9 s ILE 190 Ca 0.10 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 59.98 3hf9 s ILE 190 Cb -0.04 -2.04 -0.06 0.00 0.01 0.00 0.00 42.46 40.33 3hf9 s ILE 190 CO 0.58 0.53 -0.04 -0.36 0.00 0.00 0.00 174.94 175.64 3hf9 s PHE 191 N 0.73 2.03 0.71 3.97 0.40 -1.26 -1.89 117.98 122.67 3hf9 s PHE 191 Ca -0.07 -0.71 -0.16 0.00 -0.60 0.00 0.00 56.93 55.38 3hf9 s PHE 191 Cb -0.16 -1.21 0.01 0.00 0.51 0.00 0.00 43.02 42.17 3hf9 s PHE 191 CO 0.01 0.28 1.01 -2.30 0.70 0.00 0.00 175.22 174.92 3hf9 n PRO 192 N -0.64 0.57 -3.62 0.24 -0.02 -1.26 -4.81 135.00 125.46 3hf9 n PRO 192 Ca -0.05 0.25 -0.33 0.00 -2.02 0.00 0.00 63.50 61.35 3hf9 n PRO 192 Cb 0.64 -2.26 -0.05 0.00 -0.02 0.00 0.00 33.50 31.81 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 -1.77 5.13 0.08 3.45 -4.23 -0.73 -4.90 115.64 112.67 3hf9 s THR 193 Ca 0.74 0.27 -0.02 0.00 -1.18 0.00 0.00 61.69 61.51 3hf9 s THR 193 Cb -0.35 -3.63 -0.03 0.00 1.34 0.00 0.00 72.50 69.83 3hf9 s THR 193 CO 0.49 0.19 0.03 0.00 -0.54 0.00 0.00 174.62 174.79 3hf9 s ALA 194 N -1.50 0.50 -0.01 3.99 0.00 -1.26 -1.18 121.76 122.30 3hf9 s ALA 194 Ca 0.36 -1.20 0.02 0.00 0.00 0.00 0.00 51.96 51.14 3hf9 s ALA 194 Cb -0.13 0.49 -0.00 0.00 0.00 0.00 0.00 23.12 23.48 3hf9 s ALA 194 CO 0.20 -0.43 -0.06 0.08 0.00 0.00 0.00 175.76 175.55 3hf9 s VAL 195 N -3.95 0.53 -0.09 0.00 1.01 0.22 -1.45 120.40 116.67 3hf9 s VAL 195 Ca 0.12 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.89 3hf9 s VAL 195 Cb 0.07 -0.46 -0.00 0.00 0.00 0.00 0.00 36.38 35.99 3hf9 s VAL 195 CO -0.06 0.16 -0.24 -0.63 0.00 0.00 0.00 175.10 174.33 3hf9 s ILE 196 N 0.03 2.04 -0.14 2.22 1.01 0.26 -1.47 121.20 125.15 3hf9 s ILE 196 Ca 0.00 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.64 3hf9 s ILE 196 Cb -0.05 -1.75 -0.00 0.00 0.01 0.00 0.00 42.46 40.67 3hf9 s ILE 196 CO -0.00 0.56 -0.18 -0.63 0.00 0.00 0.00 174.94 174.69 3hf9 s ILE 197 N 0.19 2.52 0.18 2.92 1.01 -0.32 -0.58 121.20 127.13 3hf9 s ILE 197 Ca -0.14 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.71 3hf9 s ILE 197 Cb -0.17 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.25 3hf9 s ILE 197 CO 0.07 0.53 0.13 -0.90 0.00 0.00 0.00 174.94 174.77 3hf9 n ASP 198 N 3.85 -0.02 -0.23 3.58 3.85 -1.05 -1.86 116.55 124.67 3hf9 n ASP 198 Ca -0.19 -2.15 0.04 0.00 -0.71 0.00 0.00 54.79 51.78 3hf9 n ASP 198 Cb 0.52 0.80 0.28 0.00 -1.35 0.00 0.00 41.12 41.37 3hf9 n ASP 198 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hf9 h ALA 199 N 1.51 1.57 -0.78 2.12 0.00 -1.95 -1.55 119.26 120.17 3hf9 h ALA 199 Ca -0.13 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3hf9 h ALA 199 Cb 0.63 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3hf9 h ALA 199 CO 0.20 0.34 0.30 -0.44 0.00 0.00 0.00 179.25 179.65 3hf9 h ASP 200 N 0.92 1.09 -2.27 0.00 3.45 -1.95 -3.49 116.42 114.16 3hf9 h ASP 200 Ca 0.32 -0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.61 3hf9 h ASP 200 Cb 0.11 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 38.60 3hf9 h ASP 200 CO -0.10 0.97 0.00 0.61 -1.57 0.00 0.00 179.24 179.15 3hf9 n GLY 201 N -0.87 0.22 3.73 2.75 0.00 -0.59 -5.08 105.19 105.35 3hf9 n GLY 201 Ca 0.07 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.44 3.29 0.02 4.61 0.00 0.14 -2.54 121.76 125.84 3hf9 s ALA 202 Ca 0.00 0.39 0.03 0.00 0.00 0.00 0.00 51.96 52.38 3hf9 s ALA 202 Cb 0.00 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 19.97 3hf9 s ALA 202 CO 0.00 -0.04 -0.10 0.08 0.00 0.00 0.00 175.76 175.70 3hf9 s VAL 203 N 0.30 0.76 0.05 0.00 1.01 0.25 -4.98 120.40 117.80 3hf9 s VAL 203 Ca 0.43 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 3hf9 s VAL 203 Cb -0.21 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 3hf9 s VAL 203 CO 0.25 -0.02 1.08 -1.81 0.00 0.00 0.00 175.10 174.60 3hf9 s ASP 204 N -0.83 7.26 -0.01 3.32 1.01 -1.26 -0.58 116.67 125.57 3hf9 s ASP 204 Ca -0.01 1.86 -0.30 0.00 0.71 0.00 0.00 52.55 54.81 3hf9 s ASP 204 Cb -0.06 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 3hf9 s ASP 204 CO 0.00 -0.32 1.09 -0.69 0.21 0.00 0.00 175.17 175.47 3hf9 s VAL 205 N 0.79 4.49 0.27 -1.27 1.01 -0.53 -4.90 120.40 120.26 3hf9 s VAL 205 Ca 0.54 1.79 -0.30 0.00 0.00 0.00 0.00 61.98 64.00 3hf9 s VAL 205 Cb -0.25 -4.15 -0.12 0.00 0.00 0.00 0.00 36.38 31.86 3hf9 s VAL 205 CO 0.29 0.09 1.61 -2.65 0.00 0.00 0.00 175.10 174.44 3hf9 n PRO 206 N 4.36 2.67 0.03 2.72 -0.02 -1.26 -4.52 135.00 138.99 3hf9 n PRO 206 Ca 0.08 0.95 0.21 0.00 -2.02 0.00 0.00 63.50 62.72 3hf9 n PRO 206 Cb 0.48 -2.74 0.72 0.00 -0.02 0.00 0.00 33.50 31.95 3hf9 n PRO 206 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3hf9 h GLU 207 N 5.12 0.00 -0.57 -0.52 4.81 -1.94 -0.92 114.58 120.56 3hf9 h GLU 207 Ca -0.46 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.78 3hf9 h GLU 207 Cb 1.22 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 3hf9 h GLU 207 CO 0.82 0.00 0.36 0.77 -0.73 0.00 0.00 179.01 180.24 3hf9 h SER 208 N 0.00 0.62 -0.27 1.04 0.02 -1.97 0.79 113.55 113.78 3hf9 h SER 208 Ca 0.23 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.12 3hf9 h SER 208 Cb 1.02 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 3hf9 h SER 208 CO -0.00 0.44 -0.02 -0.09 -1.14 0.00 0.00 176.83 176.02 3hf9 h ARG 209 N 0.74 0.49 -0.54 3.45 2.43 -1.53 0.18 114.38 119.59 3hf9 h ARG 209 Ca 0.22 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 3hf9 h ARG 209 Cb -0.05 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 3hf9 h ARG 209 CO -0.07 0.67 0.11 0.82 -1.51 0.00 0.00 179.97 180.00 3hf9 h ILE 210 N 0.26 1.25 -0.67 1.20 2.04 -1.44 -1.16 117.51 118.98 3hf9 h ILE 210 Ca 0.07 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 3hf9 h ILE 210 Cb 0.46 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3hf9 h ILE 210 CO 0.02 0.33 0.34 0.00 0.00 0.00 0.00 178.15 178.83 3hf9 h ALA 211 N 1.00 0.87 -0.24 1.87 0.00 0.72 -0.22 119.26 123.26 3hf9 h ALA 211 Ca 0.17 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hf9 h ALA 211 Cb 0.37 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hf9 h ALA 211 CO 0.01 0.42 0.13 1.05 0.00 0.00 0.00 179.25 180.86 3hf9 h GLU 212 N 0.93 0.34 -0.57 0.00 4.11 -0.48 0.89 114.58 119.79 3hf9 h GLU 212 Ca 0.23 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.61 3hf9 h GLU 212 Cb 0.09 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3hf9 h GLU 212 CO -0.03 0.30 0.29 -0.07 0.07 0.00 0.00 179.01 179.57 3hf9 h LEU 213 N 0.28 0.73 -0.51 3.06 3.38 -0.80 0.19 115.31 121.65 3hf9 h LEU 213 Ca 0.09 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3hf9 h LEU 213 Cb 0.06 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3hf9 h LEU 213 CO -0.01 0.64 0.24 0.00 0.09 0.00 0.00 178.44 179.39 3hf9 h ALA 214 N 1.12 0.66 -0.66 1.53 0.00 -0.73 -1.67 119.26 119.51 3hf9 h ALA 214 Ca 0.20 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3hf9 h ALA 214 Cb 0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3hf9 h ALA 214 CO -0.03 0.23 0.23 0.00 0.00 0.00 0.00 179.25 179.68 3hf9 h ARG 215 N 0.68 1.00 -0.46 0.00 3.08 -0.53 -1.53 114.38 116.62 3hf9 h ARG 215 Ca 0.17 -0.20 0.06 0.00 0.07 0.00 0.00 59.98 60.09 3hf9 h ARG 215 Cb 0.13 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 3hf9 h ARG 215 CO -0.02 0.86 0.15 0.00 -1.07 0.00 0.00 179.97 179.89 3hf9 h ALA 216 N 1.10 0.55 -0.28 0.04 0.00 -0.44 0.39 119.26 120.62 3hf9 h ALA 216 Ca 0.22 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 3hf9 h ALA 216 Cb 0.25 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hf9 h ALA 216 CO -0.01 -0.24 -0.01 0.82 0.00 0.00 0.00 179.25 179.81 3hf9 h ILE 217 N 0.31 1.26 -0.10 0.00 2.04 -0.91 -2.76 117.51 117.35 3hf9 h ILE 217 Ca 0.22 -0.95 -0.21 0.00 1.00 0.00 0.00 64.86 64.92 3hf9 h ILE 217 Cb 0.24 1.32 0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3hf9 h ILE 217 CO -0.24 0.30 -0.77 0.40 0.00 0.00 0.00 178.15 177.84 3hf9 h ILE 218 N 0.28 1.30 -0.44 -0.67 1.08 -1.12 -1.31 117.51 116.63 3hf9 h ILE 218 Ca 0.08 -2.00 -0.14 0.00 -0.39 0.00 0.00 64.86 62.41 3hf9 h ILE 218 Cb 0.44 2.14 -0.01 0.00 -3.07 0.00 0.00 36.82 36.32 3hf9 h ILE 218 CO 0.02 0.62 -0.26 -0.33 -0.69 0.00 0.00 178.15 177.51 3hf9 h GLU 219 N 0.39 0.94 0.01 2.37 5.08 -1.02 -2.15 114.58 120.20 3hf9 h GLU 219 Ca -0.07 -0.42 -0.24 0.00 -1.00 0.00 0.00 59.36 57.63 3hf9 h GLU 219 Cb 1.41 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.65 3hf9 h GLU 219 CO 0.16 1.08 -0.99 0.77 -1.00 0.00 0.00 179.01 179.03 3hf9 h SER 220 N 0.80 0.65 0.27 1.42 0.02 -1.59 -0.52 113.55 114.60 3hf9 h SER 220 Ca 0.09 -0.53 -0.02 0.00 -0.84 0.00 0.00 61.79 60.49 3hf9 h SER 220 Cb 0.84 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 3hf9 h SER 220 CO 0.07 1.33 -0.10 -0.09 -1.14 0.00 0.00 176.83 176.90 3hf9 h ARG 221 N 0.28 0.00 -0.37 3.45 9.65 -1.16 -3.22 114.38 123.01 3hf9 h ARG 221 Ca -0.10 0.00 -0.27 0.00 -1.10 0.00 0.00 59.98 58.51 3hf9 h ARG 221 Cb 1.64 0.00 -0.37 0.00 -1.39 0.00 0.00 29.97 29.84 3hf9 h ARG 221 CO 0.18 0.10 -1.00 -1.13 2.80 0.00 0.00 179.97 180.93 3hf9 n SER 222 N -3.78 2.12 0.00 -3.80 3.41 -0.82 -5.06 113.62 105.69 3hf9 n SER 222 Ca -0.02 -2.50 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 3hf9 n SER 222 Cb 0.21 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 3hf9 n SER 222 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49