#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 3.35 0.01 12.58 -1.09 -0.24 -2.66 121.20 133.15 3hf9 s ILE 3 Ca 0.00 -0.89 0.03 0.00 -2.23 0.00 0.00 60.65 57.56 3hf9 s ILE 3 Cb 0.00 -2.43 -0.01 0.00 -1.58 0.00 0.00 42.46 38.43 3hf9 s ILE 3 CO 0.00 0.39 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.31 3hf9 s VAL 4 N -0.96 0.80 -0.06 2.92 1.01 0.52 -1.49 120.40 123.14 3hf9 s VAL 4 Ca 0.16 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 3hf9 s VAL 4 Cb -0.11 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.59 3hf9 s VAL 4 CO 0.06 0.10 0.15 0.00 0.00 0.00 0.00 175.10 175.41 3hf9 s ALA 5 N -0.49 -0.37 0.01 5.51 0.00 -0.51 -0.49 121.76 125.43 3hf9 s ALA 5 Ca 0.02 0.48 -0.07 0.00 0.00 0.00 0.00 51.96 52.38 3hf9 s ALA 5 Cb -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.78 3hf9 s ALA 5 CO 0.00 -0.09 0.14 -0.48 0.00 0.00 0.00 175.76 175.34 3hf9 s LEU 6 N 0.25 1.55 0.10 0.00 0.05 -0.15 -1.38 118.68 119.09 3hf9 s LEU 6 Ca -0.01 -0.24 -0.22 0.00 0.05 0.00 0.00 54.13 53.71 3hf9 s LEU 6 Cb -0.03 0.70 -0.07 0.00 -2.05 0.00 0.00 46.19 44.74 3hf9 s LEU 6 CO -0.01 -0.39 0.67 -0.54 -0.55 0.00 0.00 176.35 175.52 3hf9 s LYS 7 N -1.54 4.38 0.38 1.48 1.02 0.28 -1.38 119.74 124.36 3hf9 s LYS 7 Ca -0.14 0.92 0.04 0.00 0.02 0.00 0.00 55.97 56.82 3hf9 s LYS 7 Cb -0.07 -3.27 -0.06 0.00 -0.52 0.00 0.00 37.83 33.91 3hf9 s LYS 7 CO 0.01 0.55 0.05 1.52 -0.92 0.00 0.00 175.35 176.56 3hf9 s TYR 8 N -0.92 2.09 -0.36 3.18 -0.85 -0.65 -4.93 117.35 114.90 3hf9 s TYR 8 Ca 0.33 -0.92 -0.28 0.00 -0.52 0.00 0.00 57.07 55.68 3hf9 s TYR 8 Cb -0.21 -1.45 -0.02 0.00 0.38 0.00 0.00 41.96 40.67 3hf9 s TYR 8 CO 0.22 0.12 1.78 -2.14 -1.52 0.00 0.00 175.55 174.01 3hf9 s PRO 9 N -3.82 3.27 0.00 -3.49 0.02 -1.26 -2.28 135.00 127.45 3hf9 s PRO 9 Ca 0.31 1.31 0.00 0.00 0.02 0.00 0.00 61.00 62.64 3hf9 s PRO 9 Cb 0.08 -4.21 0.00 0.00 0.02 0.00 0.00 34.50 30.39 3hf9 s PRO 9 CO 0.15 -1.93 0.00 0.41 -0.33 0.00 0.00 177.00 175.30 3hf9 n GLY 10 N 5.43 0.69 0.00 0.52 0.00 0.87 -4.75 105.19 107.95 3hf9 n GLY 10 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.10 1.14 3.16 -0.02 0.00 -0.97 -4.14 105.19 103.26 3hf9 n GLY 11 Ca 0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.42 0.85 0.05 1.61 -7.23 -0.50 -1.64 120.40 111.11 3hf9 s VAL 12 Ca 0.00 -1.63 0.07 0.00 -1.81 0.00 0.00 61.98 58.61 3hf9 s VAL 12 Cb 0.00 -1.33 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 3hf9 s VAL 12 CO 0.00 -0.60 -0.19 0.54 -0.31 0.00 0.00 175.10 174.55 3hf9 s VAL 13 N -2.54 1.50 -0.01 1.32 0.11 -0.48 -0.80 120.40 119.51 3hf9 s VAL 13 Ca 0.05 -1.20 0.01 0.00 -2.93 0.00 0.00 61.98 57.92 3hf9 s VAL 13 Cb -0.02 -1.33 -0.00 0.00 -1.53 0.00 0.00 36.38 33.50 3hf9 s VAL 13 CO -0.01 0.09 -0.04 -0.32 -3.33 0.00 0.00 175.10 171.49 3hf9 s MET 14 N -1.29 0.40 0.03 1.54 1.75 -0.53 -0.98 119.30 120.21 3hf9 s MET 14 Ca 0.05 -0.15 -0.08 0.00 -1.25 0.00 0.00 55.69 54.26 3hf9 s MET 14 Cb -0.09 -0.40 -0.00 0.00 2.84 0.00 0.00 34.83 37.18 3hf9 s MET 14 CO 0.02 0.08 0.16 0.00 -0.65 0.00 0.00 175.02 174.63 3hf9 s ALA 15 N 0.01 -0.29 -0.17 4.11 0.00 0.35 -0.77 121.76 125.00 3hf9 s ALA 15 Ca 0.00 -0.30 -0.15 0.00 0.00 0.00 0.00 51.96 51.51 3hf9 s ALA 15 Cb -0.03 0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.36 3hf9 s ALA 15 CO -0.00 -0.31 0.45 0.20 0.00 0.00 0.00 175.76 176.09 3hf9 s GLY 16 N -1.93 -0.34 1.27 0.00 0.00 -0.50 -0.36 107.32 105.47 3hf9 s GLY 16 Ca -0.07 1.28 -0.18 0.00 0.00 0.00 0.00 44.72 45.74 3hf9 s GLY 16 CO -0.03 1.12 1.00 0.51 0.00 0.00 0.00 173.10 175.70 3hf9 s ASP 17 N 0.30 0.19 0.00 1.64 3.84 -1.09 -2.02 116.67 119.53 3hf9 s ASP 17 Ca -0.00 1.06 0.08 0.00 -0.00 0.00 0.00 52.55 53.69 3hf9 s ASP 17 Cb -0.03 -1.59 0.11 0.00 -1.38 0.00 0.00 42.92 40.02 3hf9 s ASP 17 CO -0.00 -4.62 0.87 0.54 -0.00 0.00 0.00 175.17 171.95 3hf9 n ARG 18 N -5.15 0.84 -2.75 2.11 5.12 -1.26 -4.57 116.66 110.99 3hf9 n ARG 18 Ca 0.08 -1.22 -0.30 0.00 -1.93 0.00 0.00 57.85 54.48 3hf9 n ARG 18 Cb 0.58 -1.17 -0.03 0.00 -1.16 0.00 0.00 32.46 30.68 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 -0.76 3.77 -0.10 5.56 6.06 -1.26 -1.75 118.95 130.46 3hf9 s ARG 19 Ca 0.11 0.50 -0.09 0.00 -2.50 0.00 0.00 55.73 53.76 3hf9 s ARG 19 Cb 0.07 -2.35 0.03 0.00 0.06 0.00 0.00 34.95 32.76 3hf9 s ARG 19 CO 0.11 -0.10 0.26 -1.54 -2.50 0.00 0.00 175.30 171.53 3hf9 s SER 20 N -3.28 -0.27 0.20 -2.12 1.04 -0.68 -4.85 113.70 103.74 3hf9 s SER 20 Ca 0.52 0.53 0.11 0.00 0.48 0.00 0.00 55.95 57.58 3hf9 s SER 20 Cb -0.10 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 3hf9 s SER 20 CO 0.33 -0.10 -0.19 0.42 0.98 0.00 0.00 173.24 174.69 3hf9 s THR 21 N 0.30 2.65 -0.54 2.02 -4.23 -1.26 -0.74 115.64 113.84 3hf9 s THR 21 Ca -0.01 -1.95 0.04 0.00 -1.18 0.00 0.00 61.69 58.59 3hf9 s THR 21 Cb -0.03 -2.30 0.14 0.00 1.34 0.00 0.00 72.50 71.65 3hf9 s THR 21 CO -0.01 -0.15 0.30 -1.58 -0.54 0.00 0.00 174.62 172.64 3hf9 s GLN 22 N -2.82 2.01 7.83 3.99 0.74 -0.20 -4.82 119.66 126.39 3hf9 s GLN 22 Ca 0.23 -2.70 0.00 0.00 0.05 0.00 0.00 55.36 52.94 3hf9 s GLN 22 Cb -0.08 -3.27 0.00 0.00 1.10 0.00 0.00 33.01 30.76 3hf9 s GLN 22 CO 0.12 -1.14 0.00 0.41 -0.55 0.00 0.00 175.29 174.13 3hf9 n GLY 23 N 2.95 2.48 0.09 2.59 0.00 -1.26 -2.79 105.19 109.25 3hf9 n GLY 23 Ca 0.08 -0.36 -0.03 0.00 0.00 0.00 0.00 46.02 45.71 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 9.11 0.65 -4.76 1.61 3.02 -1.26 -4.93 115.26 118.71 3hf9 n ASN 24 Ca 0.00 0.29 -0.41 0.00 -0.03 0.00 0.00 54.58 54.43 3hf9 n ASN 24 Cb 0.00 0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 39.54 3hf9 n ASN 24 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3hf9 s MET 25 N -2.82 4.33 -0.33 3.52 -1.94 -1.12 -4.97 119.30 115.97 3hf9 s MET 25 Ca -0.05 2.22 -0.27 0.00 -1.71 0.00 0.00 55.69 55.88 3hf9 s MET 25 Cb 0.08 -3.11 0.01 0.00 2.01 0.00 0.00 34.83 33.83 3hf9 s MET 25 CO 0.82 -0.28 0.96 0.42 -0.01 0.00 0.00 175.02 176.94 3hf9 s ILE 26 N -0.54 4.61 -0.84 2.53 1.01 -1.26 -1.03 121.20 125.67 3hf9 s ILE 26 Ca 0.54 1.45 0.18 0.00 0.00 0.00 0.00 60.65 62.82 3hf9 s ILE 26 Cb -0.40 -4.32 -0.20 0.00 0.01 0.00 0.00 42.46 37.56 3hf9 s ILE 26 CO 0.47 -0.42 0.76 -1.54 0.00 0.00 0.00 174.94 174.21 3hf9 n SER 27 N 6.65 0.85 -3.62 3.58 3.41 0.08 -4.92 113.62 119.64 3hf9 n SER 27 Ca 0.08 -0.92 -0.15 0.00 -0.26 0.00 0.00 58.87 57.63 3hf9 n SER 27 Cb 0.48 1.01 -0.07 0.00 -0.26 0.00 0.00 64.21 65.36 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 -2.71 -0.50 0.00 5.00 0.00 -0.69 -4.92 107.32 103.50 3hf9 s GLY 28 Ca 0.07 1.64 0.00 0.00 0.00 0.00 0.00 44.72 46.43 3hf9 s GLY 28 CO 0.74 1.36 0.32 0.54 0.00 0.00 0.00 173.10 176.06 3hf9 n ARG 29 N 2.19 1.45 0.00 2.90 1.74 -1.25 -1.69 116.66 121.99 3hf9 n ARG 29 Ca -0.16 -0.32 0.02 0.00 -0.77 0.00 0.00 57.85 56.63 3hf9 n ARG 29 Cb 0.56 -0.81 0.00 0.00 -1.02 0.00 0.00 32.46 31.19 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 -0.30 0.91 -4.67 0.55 5.68 -1.13 -4.62 116.55 112.97 3hf9 n ASP 30 Ca 0.00 -0.95 -0.42 0.00 -0.50 0.00 0.00 54.79 52.92 3hf9 n ASP 30 Cb 0.01 0.39 -0.03 0.00 -1.14 0.00 0.00 41.12 40.35 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 -0.75 2.97 -0.26 2.12 1.01 -0.72 -4.98 120.40 119.79 3hf9 s VAL 31 Ca 0.04 0.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.88 3hf9 s VAL 31 Cb 0.03 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 3hf9 s VAL 31 CO 0.09 -0.01 0.67 -0.13 0.00 0.00 0.00 175.10 175.73 3hf9 s ARG 32 N 4.14 4.10 -0.01 2.72 0.52 -1.26 -4.29 118.95 124.86 3hf9 s ARG 32 Ca 0.86 0.60 0.12 0.00 -0.52 0.00 0.00 55.73 56.78 3hf9 s ARG 32 Cb -0.43 -3.66 -0.15 0.00 0.52 0.00 0.00 34.95 31.23 3hf9 s ARG 32 CO 0.40 -0.46 0.37 1.63 0.02 0.00 0.00 175.30 177.27 3hf9 n LYS 33 N 5.80 1.86 -4.28 3.54 5.02 -1.26 -4.73 118.16 124.11 3hf9 n LYS 33 Ca 0.01 -0.05 -0.34 0.00 -2.02 0.00 0.00 58.31 55.90 3hf9 n LYS 33 Cb 0.49 -1.15 -0.14 0.00 -0.02 0.00 0.00 35.03 34.20 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 -2.43 3.24 0.12 -0.18 1.01 -1.26 -2.71 120.40 118.19 3hf9 s VAL 34 Ca 0.00 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.47 3hf9 s VAL 34 Cb 0.08 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 3hf9 s VAL 34 CO 0.48 0.47 -0.14 -0.31 0.00 0.00 0.00 175.10 175.60 3hf9 s TYR 35 N 0.95 1.36 -0.47 5.22 1.51 -0.34 -4.99 117.35 120.60 3hf9 s TYR 35 Ca -0.01 -0.56 -0.20 0.00 -1.01 0.00 0.00 57.07 55.30 3hf9 s TYR 35 Cb -0.15 -0.72 0.04 0.00 -0.11 0.00 0.00 41.96 41.02 3hf9 s TYR 35 CO -0.00 0.13 0.61 0.42 -1.11 0.00 0.00 175.55 175.60 3hf9 s ILE 36 N -2.11 4.87 0.18 2.71 1.01 -1.26 -0.79 121.20 125.82 3hf9 s ILE 36 Ca 0.08 -0.23 -0.09 0.00 0.00 0.00 0.00 60.65 60.41 3hf9 s ILE 36 Cb -0.05 -4.23 0.05 0.00 0.01 0.00 0.00 42.46 38.24 3hf9 s ILE 36 CO 0.03 -0.68 1.62 0.71 0.00 0.00 0.00 174.94 176.62 3hf9 h THR 37 N 5.85 1.27 -2.37 2.92 1.35 -1.58 -3.48 112.91 116.87 3hf9 h THR 37 Ca -0.27 -1.22 -0.05 0.00 -0.55 0.00 0.00 66.41 64.33 3hf9 h THR 37 Cb 1.10 0.89 -0.01 0.00 -1.73 0.00 0.00 68.15 68.39 3hf9 h THR 37 CO 0.92 0.44 -0.01 -0.90 -0.25 0.00 0.00 175.52 175.71 3hf9 n ASP 38 N -4.16 -0.31 -0.34 5.36 5.75 -0.90 -4.33 116.55 117.62 3hf9 n ASP 38 Ca 0.02 -1.37 -0.04 0.00 -0.01 0.00 0.00 54.79 53.39 3hf9 n ASP 38 Cb 0.38 0.57 0.09 0.00 -1.03 0.00 0.00 41.12 41.13 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 0.40 1.12 -0.37 -1.12 3.32 -1.94 -3.24 116.42 114.59 3hf9 h ASP 39 Ca -0.06 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3hf9 h ASP 39 Cb 0.24 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3hf9 h ASP 39 CO 0.08 0.88 0.00 -1.22 -1.72 0.00 0.00 179.24 177.26 3hf9 n TYR 40 N -4.35 0.49 -3.91 4.55 4.02 -1.26 0.08 117.16 116.78 3hf9 n TYR 40 Ca 0.10 -0.47 -0.10 0.00 -0.01 0.00 0.00 57.90 57.43 3hf9 n TYR 40 Cb 0.08 -0.02 -0.09 0.00 -0.02 0.00 0.00 39.34 39.28 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 -1.00 0.12 0.00 -0.72 -4.23 -1.22 -0.93 115.64 107.66 3hf9 s THR 41 Ca 0.26 -1.01 -0.07 0.00 -1.18 0.00 0.00 61.69 59.69 3hf9 s THR 41 Cb 0.14 -0.83 -0.00 0.00 1.34 0.00 0.00 72.50 73.14 3hf9 s THR 41 CO 0.18 -0.55 0.12 0.00 -0.54 0.00 0.00 174.62 173.83 3hf9 s ALA 42 N -2.44 -0.28 -0.01 3.99 0.00 0.04 -1.43 121.76 121.63 3hf9 s ALA 42 Ca -0.06 -0.17 0.08 0.00 0.00 0.00 0.00 51.96 51.80 3hf9 s ALA 42 Cb -0.02 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 3hf9 s ALA 42 CO -0.04 -0.20 -0.25 0.95 0.00 0.00 0.00 175.76 176.22 3hf9 s THR 43 N -1.38 2.15 -0.04 0.00 -4.23 0.03 -0.92 115.64 111.25 3hf9 s THR 43 Ca -0.15 -1.15 0.07 0.00 -1.18 0.00 0.00 61.69 59.27 3hf9 s THR 43 Cb -0.08 -1.77 -0.02 0.00 1.34 0.00 0.00 72.50 71.97 3hf9 s THR 43 CO 0.01 0.53 -0.23 -0.83 -0.54 0.00 0.00 174.62 173.56 3hf9 s GLY 44 N -0.78 1.33 -0.08 3.99 0.00 -0.29 -1.20 107.32 110.30 3hf9 s GLY 44 Ca 0.11 -1.07 0.02 0.00 0.00 0.00 0.00 44.72 43.78 3hf9 s GLY 44 CO -0.00 -0.82 -0.14 -0.42 0.00 0.00 0.00 173.10 171.72 3hf9 s ILE 45 N -0.51 1.31 -1.53 0.90 1.09 -1.10 -1.02 121.20 120.34 3hf9 s ILE 45 Ca 0.07 -0.57 -0.12 0.00 -1.10 0.00 0.00 60.65 58.92 3hf9 s ILE 45 Cb -0.11 -1.19 -0.02 0.00 -1.06 0.00 0.00 42.46 40.09 3hf9 s ILE 45 CO 0.01 0.40 2.55 0.00 -0.10 0.00 0.00 174.94 177.79 3hf9 n ALA 46 N 3.86 6.45 -3.00 9.38 0.00 -1.26 -4.80 120.51 131.14 3hf9 n ALA 46 Ca -0.21 -3.73 0.00 0.00 0.00 0.00 0.00 53.44 49.50 3hf9 n ALA 46 Cb 0.52 -3.47 0.00 0.00 0.00 0.00 0.00 19.45 16.50 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 3.86 4.80 3.70 0.00 0.00 -1.26 -4.92 105.19 111.36 3hf9 n GLY 47 Ca 0.64 -1.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.35 2.60 0.23 2.61 -4.23 -1.26 -4.80 115.64 109.44 3hf9 s THR 48 Ca 0.00 0.19 -0.06 0.00 -1.18 0.00 0.00 61.69 60.65 3hf9 s THR 48 Cb 0.00 -2.46 0.19 0.00 1.34 0.00 0.00 72.50 71.57 3hf9 s THR 48 CO 0.00 -0.25 1.75 0.00 -0.54 0.00 0.00 174.62 175.58 3hf9 h ALA 49 N -1.63 1.00 -0.35 3.99 0.00 -1.96 -2.65 119.26 117.66 3hf9 h ALA 49 Ca -0.46 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 3hf9 h ALA 49 Cb 1.26 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3hf9 h ALA 49 CO 0.48 -0.13 -0.19 0.00 0.00 0.00 0.00 179.25 179.41 3hf9 h ALA 50 N 1.48 0.49 -0.58 0.00 0.00 -1.93 -2.88 119.26 115.85 3hf9 h ALA 50 Ca 0.37 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3hf9 h ALA 50 Cb 0.48 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3hf9 h ALA 50 CO -0.33 0.43 0.35 0.28 0.00 0.00 0.00 179.25 179.98 3hf9 h VAL 51 N 0.52 1.06 -0.66 0.00 2.07 -1.87 0.13 116.25 117.50 3hf9 h VAL 51 Ca 0.08 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 3hf9 h VAL 51 Cb 0.73 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3hf9 h VAL 51 CO 0.05 0.12 0.35 0.00 0.02 0.00 0.00 177.57 178.12 3hf9 h ALA 52 N 1.26 0.85 0.16 1.67 0.00 -1.41 -2.03 119.26 119.76 3hf9 h ALA 52 Ca 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3hf9 h ALA 52 Cb 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3hf9 h ALA 52 CO -0.10 0.38 -0.08 0.28 0.00 0.00 0.00 179.25 179.72 3hf9 h VAL 53 N 0.91 0.71 -0.82 0.00 2.07 -1.32 -2.67 116.25 115.13 3hf9 h VAL 53 Ca 0.23 -1.14 0.17 0.00 0.82 0.00 0.00 66.70 66.78 3hf9 h VAL 53 Cb 0.06 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 3hf9 h VAL 53 CO -0.04 0.19 0.54 -0.33 0.02 0.00 0.00 177.57 177.96 3hf9 h GLU 54 N -0.93 0.42 0.20 1.57 4.39 -0.77 0.50 114.58 119.96 3hf9 h GLU 54 Ca -0.02 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 3hf9 h GLU 54 Cb 0.49 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3hf9 h GLU 54 CO 0.04 0.28 -0.10 0.35 -1.16 0.00 0.00 179.01 178.42 3hf9 h PHE 55 N 0.44 -0.25 -0.46 4.33 3.04 -1.46 -2.56 116.94 120.02 3hf9 h PHE 55 Ca 0.41 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.44 3hf9 h PHE 55 Cb 0.95 0.08 -0.07 0.00 2.56 0.00 0.00 35.95 39.48 3hf9 h PHE 55 CO -0.00 0.14 0.07 0.00 -2.02 0.00 0.00 178.31 176.50 3hf9 h ALA 56 N -0.44 0.49 -0.45 2.41 0.00 -1.04 -0.72 119.26 119.51 3hf9 h ALA 56 Ca -0.03 0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.08 3hf9 h ALA 56 Cb 0.50 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 3hf9 h ALA 56 CO 0.04 -0.33 -0.14 -0.09 0.00 0.00 0.00 179.25 178.73 3hf9 h ARG 57 N 0.19 -0.04 -0.41 0.00 2.43 -0.08 0.78 114.38 117.25 3hf9 h ARG 57 Ca 0.23 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3hf9 h ARG 57 Cb 0.31 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3hf9 h ARG 57 CO -0.32 -0.03 0.24 1.25 -1.51 0.00 0.00 179.97 179.61 3hf9 h LEU 58 N -0.04 0.49 -0.62 3.80 5.85 -1.02 -1.98 115.31 121.80 3hf9 h LEU 58 Ca 0.22 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 3hf9 h LEU 58 Cb 0.37 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3hf9 h LEU 58 CO -0.49 0.41 0.29 0.22 -0.34 0.00 0.00 178.44 178.54 3hf9 h TYR 59 N 0.53 0.90 -0.68 1.25 3.20 -0.13 -1.17 116.97 120.88 3hf9 h TYR 59 Ca 0.15 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 3hf9 h TYR 59 Cb 0.01 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 37.97 3hf9 h TYR 59 CO -0.03 0.69 0.33 0.00 -1.64 0.00 0.00 178.16 177.51 3hf9 h ALA 60 N 1.13 0.88 -0.40 1.82 0.00 -0.75 -0.85 119.26 121.09 3hf9 h ALA 60 Ca 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3hf9 h ALA 60 Cb 0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3hf9 h ALA 60 CO -0.03 0.44 0.21 0.28 0.00 0.00 0.00 179.25 180.15 3hf9 h VAL 61 N 0.95 1.16 -0.01 0.00 2.07 -1.08 -1.38 116.25 117.95 3hf9 h VAL 61 Ca 0.24 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.35 3hf9 h VAL 61 Cb 0.11 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3hf9 h VAL 61 CO -0.03 0.17 -0.16 -0.33 0.02 0.00 0.00 177.57 177.24 3hf9 h GLU 62 N 0.51 -0.25 -0.02 1.57 5.08 -0.66 0.79 114.58 121.61 3hf9 h GLU 62 Ca 0.14 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 3hf9 h GLU 62 Cb 0.08 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 3hf9 h GLU 62 CO -0.02 -0.17 -0.23 -0.07 -1.00 0.00 0.00 179.01 177.52 3hf9 h LEU 63 N -0.26 -0.69 -0.33 1.33 3.38 -1.01 -0.96 115.31 116.76 3hf9 h LEU 63 Ca 0.06 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3hf9 h LEU 63 Cb 0.33 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3hf9 h LEU 63 CO -0.16 -0.30 0.07 -0.08 0.09 0.00 0.00 178.44 178.06 3hf9 h GLU 64 N -0.35 0.54 -0.71 1.13 4.81 -1.17 -2.39 114.58 116.43 3hf9 h GLU 64 Ca 0.07 -0.14 0.14 0.00 -0.13 0.00 0.00 59.36 59.30 3hf9 h GLU 64 Cb 0.45 -0.07 -0.13 0.00 0.63 0.00 0.00 28.75 29.62 3hf9 h GLU 64 CO -0.22 0.61 -0.25 1.25 -0.73 0.00 0.00 179.01 179.67 3hf9 h HIS 65 N 0.38 -0.62 -0.86 0.92 2.76 -0.69 0.24 115.15 117.29 3hf9 h HIS 65 Ca 0.10 0.07 0.01 0.00 -2.20 0.00 0.00 60.37 58.35 3hf9 h HIS 65 Cb 0.32 0.38 -0.04 0.00 1.55 0.00 0.00 27.41 29.62 3hf9 h HIS 65 CO 0.02 -0.35 0.56 -0.92 -1.30 0.00 0.00 177.93 175.94 3hf9 h TYR 66 N -0.05 1.09 -0.49 5.26 3.20 -0.73 -2.39 116.97 122.85 3hf9 h TYR 66 Ca 0.32 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.18 3hf9 h TYR 66 Cb 0.55 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 3hf9 h TYR 66 CO -0.63 0.69 0.20 1.49 -1.64 0.00 0.00 178.16 178.27 3hf9 h GLU 67 N 1.17 0.73 -0.76 1.82 4.81 -0.74 -0.03 114.58 121.58 3hf9 h GLU 67 Ca 0.31 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 3hf9 h GLU 67 Cb -0.13 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.10 3hf9 h GLU 67 CO -0.07 0.65 0.31 0.87 -0.73 0.00 0.00 179.01 180.05 3hf9 h LYS 68 N 0.65 1.12 -0.30 1.92 1.57 -0.88 0.21 116.57 120.86 3hf9 h LYS 68 Ca 0.16 -0.19 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 3hf9 h LYS 68 Cb 0.19 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3hf9 h LYS 68 CO -0.01 0.90 -0.37 -0.07 -0.57 0.00 0.00 179.45 179.33 3hf9 h LEU 69 N 1.10 0.84 -1.30 2.94 3.38 -1.14 -3.35 115.31 117.77 3hf9 h LEU 69 Ca 0.26 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3hf9 h LEU 69 Cb 0.19 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3hf9 h LEU 69 CO -0.02 1.16 -0.09 -0.62 0.09 0.00 0.00 178.44 178.96 3hf9 n GLU 70 N -4.17 1.27 0.00 1.13 -0.58 -0.05 -4.98 120.64 113.25 3hf9 n GLU 70 Ca -0.04 -1.13 0.00 0.00 -0.42 0.00 0.00 57.16 55.57 3hf9 n GLU 70 Cb 0.52 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 30.15 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 0.88 2.80 3.26 0.62 0.00 0.72 -4.97 105.19 108.50 3hf9 n GLY 71 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.31 1.26 0.63 1.61 -7.23 -1.24 -4.94 120.40 109.18 3hf9 s VAL 72 Ca 0.00 -2.02 -0.14 0.00 -1.81 0.00 0.00 61.98 58.02 3hf9 s VAL 72 Cb 0.00 -1.81 -0.02 0.00 0.56 0.00 0.00 36.38 35.11 3hf9 s VAL 72 CO 0.00 -0.67 1.05 -2.84 -0.31 0.00 0.00 175.10 172.33 3hf9 s PRO 73 N -3.54 3.19 0.74 4.82 0.02 -1.26 -4.10 135.00 134.87 3hf9 s PRO 73 Ca 0.16 1.08 -0.15 0.00 0.02 0.00 0.00 61.00 62.11 3hf9 s PRO 73 Cb 0.01 -2.02 0.04 0.00 0.02 0.00 0.00 34.50 32.55 3hf9 s PRO 73 CO 0.02 -0.91 1.24 -0.51 -0.33 0.00 0.00 177.00 176.51 3hf9 s LEU 74 N -4.93 3.31 0.83 -5.54 1.43 -1.26 -5.01 118.68 107.51 3hf9 s LEU 74 Ca 0.61 2.45 -0.11 0.00 -1.03 0.00 0.00 54.13 56.05 3hf9 s LEU 74 Cb -0.15 -4.60 0.09 0.00 0.03 0.00 0.00 46.19 41.56 3hf9 s LEU 74 CO 0.44 -2.38 1.09 0.42 0.23 0.00 0.00 176.35 176.15 3hf9 s THR 75 N -1.87 3.02 0.21 5.49 -4.23 -1.26 -4.73 115.64 112.27 3hf9 s THR 75 Ca 0.77 0.33 -0.10 0.00 -1.18 0.00 0.00 61.69 61.51 3hf9 s THR 75 Cb -0.32 -2.91 0.14 0.00 1.34 0.00 0.00 72.50 70.75 3hf9 s THR 75 CO 0.46 -0.43 1.79 0.15 -0.54 0.00 0.00 174.62 176.05 3hf9 h PHE 76 N -1.27 0.59 -0.78 3.99 3.57 -1.96 0.18 116.94 121.27 3hf9 h PHE 76 Ca -0.47 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.20 3hf9 h PHE 76 Cb 1.26 -0.17 -0.09 0.00 2.79 0.00 0.00 35.95 39.74 3hf9 h PHE 76 CO 0.48 0.25 0.34 0.00 -2.23 0.00 0.00 178.31 177.15 3hf9 h ALA 77 N 1.36 1.11 -0.09 2.41 0.00 -2.00 -0.99 119.26 121.07 3hf9 h ALA 77 Ca 0.30 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.33 3hf9 h ALA 77 Cb 0.24 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3hf9 h ALA 77 CO -0.21 -0.18 -0.01 0.78 0.00 0.00 0.00 179.25 179.63 3hf9 h GLY 78 N 0.49 0.07 0.03 0.00 0.00 -1.03 0.65 103.07 103.28 3hf9 h GLY 78 Ca 0.43 0.02 0.09 0.00 0.00 0.00 0.00 47.33 47.87 3hf9 h GLY 78 CO -0.39 -0.02 -0.13 0.50 0.00 0.00 0.00 176.54 176.49 3hf9 h LYS 79 N 0.02 -0.02 -0.53 4.80 1.57 -0.41 -1.18 116.57 120.82 3hf9 h LYS 79 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3hf9 h LYS 79 Cb 0.05 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3hf9 h LYS 79 CO -0.08 -0.01 0.34 0.82 -0.57 0.00 0.00 179.45 179.95 3hf9 h ILE 80 N -0.02 1.15 0.29 1.86 2.04 -0.63 -2.00 117.51 120.20 3hf9 h ILE 80 Ca 0.23 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3hf9 h ILE 80 Cb 0.36 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 3hf9 h ILE 80 CO -0.49 0.14 -0.39 -1.13 0.00 0.00 0.00 178.15 176.28 3hf9 h ASN 81 N 0.71 -1.09 -0.99 1.72 -1.24 -0.27 0.95 115.58 115.37 3hf9 h ASN 81 Ca 0.19 0.10 0.12 0.00 0.71 0.00 0.00 56.30 57.43 3hf9 h ASN 81 Cb -0.06 0.38 -0.08 0.00 0.73 0.00 0.00 38.32 39.29 3hf9 h ASN 81 CO -0.04 -0.51 0.63 0.03 -1.29 0.00 0.00 177.43 176.25 3hf9 h ARG 82 N -0.73 0.93 0.13 6.67 2.47 -1.18 0.70 114.38 123.36 3hf9 h ARG 82 Ca -0.01 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 3hf9 h ARG 82 Cb 0.69 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.79 3hf9 h ARG 82 CO -0.12 0.62 -0.13 1.25 0.56 0.00 0.00 179.97 182.14 3hf9 h LEU 83 N 0.96 -0.35 -0.69 3.04 6.46 -0.82 -0.06 115.31 123.85 3hf9 h LEU 83 Ca 0.49 0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 58.25 3hf9 h LEU 83 Cb 0.52 0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.54 3hf9 h LEU 83 CO -0.26 -0.20 0.29 0.00 -0.62 0.00 0.00 178.44 177.65 3hf9 h ALA 84 N 0.56 0.89 -0.29 1.25 0.00 0.64 0.20 119.26 122.51 3hf9 h ALA 84 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.77 3hf9 h ALA 84 Cb 0.28 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3hf9 h ALA 84 CO -0.04 0.50 0.13 0.82 0.00 0.00 0.00 179.25 180.67 3hf9 h ILE 85 N 0.98 0.97 -0.33 0.00 2.04 -0.77 0.23 117.51 120.63 3hf9 h ILE 85 Ca 0.23 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 66.04 3hf9 h ILE 85 Cb 0.18 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 3hf9 h ILE 85 CO -0.02 0.05 0.10 -0.03 0.00 0.00 0.00 178.15 178.25 3hf9 h MET 86 N 0.28 0.22 0.17 2.37 4.05 0.59 0.07 114.93 122.69 3hf9 h MET 86 Ca 0.12 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.54 3hf9 h MET 86 Cb 0.05 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 3hf9 h MET 86 CO -0.10 0.15 -0.22 0.28 0.23 0.00 0.00 176.91 177.25 3hf9 h VAL 87 N 0.23 0.51 -0.06 -5.77 2.07 -0.30 -1.98 116.25 110.95 3hf9 h VAL 87 Ca 0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.67 3hf9 h VAL 87 Cb 0.14 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3hf9 h VAL 87 CO -0.17 0.00 0.04 0.03 0.02 0.00 0.00 177.57 177.49 3hf9 h ARG 88 N -0.45 0.08 -0.21 1.57 3.08 -0.77 -0.76 114.38 116.92 3hf9 h ARG 88 Ca 0.01 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3hf9 h ARG 88 Cb 0.44 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3hf9 h ARG 88 CO -0.09 0.05 -0.07 0.78 -1.07 0.00 0.00 179.97 179.58 3hf9 h GLY 89 N 0.08 0.35 1.05 0.04 0.00 -0.24 -1.87 103.07 102.48 3hf9 h GLY 89 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.15 3hf9 h GLY 89 CO -0.00 0.19 -0.82 3.43 0.00 0.00 0.00 176.54 179.33 3hf9 h ASN 90 N 0.31 0.00 1.09 0.19 2.35 -0.73 -3.15 115.58 115.65 3hf9 h ASN 90 Ca 0.07 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 3hf9 h ASN 90 Cb 0.32 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 3hf9 h ASN 90 CO 0.01 0.06 -0.94 -0.07 -1.65 0.00 0.00 177.43 174.85 3hf9 h LEU 91 N 0.00 0.00 0.59 1.61 3.38 -1.13 -3.32 115.31 116.44 3hf9 h LEU 91 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3hf9 h LEU 91 Cb 0.86 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.62 3hf9 h LEU 91 CO 0.00 0.25 -0.28 0.00 0.09 0.00 0.00 178.44 178.50 3hf9 h ALA 92 N 1.75 -0.79 0.15 1.53 0.00 -1.42 -3.51 119.26 116.96 3hf9 h ALA 92 Ca -0.05 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.68 3hf9 h ALA 92 Cb 1.24 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 3hf9 h ALA 92 CO 0.02 -0.77 -0.50 0.00 0.00 0.00 0.00 179.25 178.01 3hf9 h ALA 93 N -1.03 -0.94 -1.92 0.00 0.00 -1.65 -3.52 119.26 110.20 3hf9 h ALA 93 Ca -0.08 -0.11 -0.57 0.00 0.00 0.00 0.00 54.91 54.15 3hf9 h ALA 93 Cb 0.64 0.84 -0.42 0.00 0.00 0.00 0.00 17.79 18.86 3hf9 h ALA 93 CO 0.13 -1.10 -0.73 1.28 0.00 0.00 0.00 179.25 178.83 3hf9 n LEU 99 N -5.49 4.25 -4.41 0.00 4.77 -1.26 -5.11 117.00 109.75 3hf9 n LEU 99 Ca -0.08 -5.38 -0.44 0.00 -0.03 0.00 0.00 56.01 50.07 3hf9 n LEU 99 Cb 0.41 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 3hf9 n LEU 99 CO 0.17 2.27 0.62 0.00 -1.33 0.00 0.00 177.39 179.12 3hf9 s ALA 100 N -3.43 3.37 -0.30 -1.18 0.00 -1.26 -5.03 121.76 113.93 3hf9 s ALA 100 Ca 0.47 -2.31 -0.14 0.00 0.00 0.00 0.00 51.96 49.98 3hf9 s ALA 100 Cb 0.34 -3.72 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 3hf9 s ALA 100 CO -0.15 -2.58 0.34 -0.51 0.00 0.00 0.00 175.76 172.85 3hf9 s LEU 101 N 2.87 4.22 0.65 0.00 2.01 -1.26 -5.00 118.68 122.17 3hf9 s LEU 101 Ca 0.19 -0.01 -0.11 0.00 0.01 0.00 0.00 54.13 54.21 3hf9 s LEU 101 Cb -0.17 -2.33 -0.02 0.00 0.01 0.00 0.00 46.19 43.68 3hf9 s LEU 101 CO 0.03 -0.23 1.05 -2.84 1.01 0.00 0.00 176.35 175.37 3hf9 s PRO 102 N 1.99 3.31 -0.10 1.29 0.02 -1.26 -4.29 135.00 135.96 3hf9 s PRO 102 Ca 0.12 0.77 0.01 0.00 0.02 0.00 0.00 61.00 61.92 3hf9 s PRO 102 Cb -0.16 -2.05 0.02 0.00 0.02 0.00 0.00 34.50 32.33 3hf9 s PRO 102 CO 0.11 -0.79 -0.10 -1.17 -0.33 0.00 0.00 177.00 174.73 3hf9 s LEU 103 N -5.31 1.39 -0.15 -5.54 0.20 -0.19 -3.08 118.68 106.01 3hf9 s LEU 103 Ca 0.56 -0.31 -0.02 0.00 0.69 0.00 0.00 54.13 55.05 3hf9 s LEU 103 Cb -0.12 -0.86 -0.02 0.00 -0.43 0.00 0.00 46.19 44.76 3hf9 s LEU 103 CO 0.54 -0.06 -0.07 -0.22 -0.29 0.00 0.00 176.35 176.25 3hf9 s LEU 104 N 1.31 3.05 -0.06 -0.68 2.96 0.95 -1.14 118.68 125.07 3hf9 s LEU 104 Ca -0.02 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 3hf9 s LEU 104 Cb -0.14 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 3hf9 s LEU 104 CO -0.04 0.17 -0.12 0.00 -1.32 0.00 0.00 176.35 175.04 3hf9 s ALA 105 N 0.35 2.74 0.21 5.97 0.00 -0.10 -0.88 121.76 130.06 3hf9 s ALA 105 Ca -0.07 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 50.80 3hf9 s ALA 105 Cb -0.15 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 21.92 3hf9 s ALA 105 CO 0.04 0.53 0.47 0.20 0.00 0.00 0.00 175.76 177.00 3hf9 s GLY 106 N -0.63 0.26 -0.11 0.00 0.00 -0.23 -0.78 107.32 105.83 3hf9 s GLY 106 Ca 0.09 -0.61 0.03 0.00 0.00 0.00 0.00 44.72 44.24 3hf9 s GLY 106 CO 0.01 -0.50 -0.20 -0.47 0.00 0.00 0.00 173.10 171.94 3hf9 s TYR 107 N -3.95 2.32 -0.54 1.90 5.04 -0.11 0.01 117.35 122.03 3hf9 s TYR 107 Ca 0.16 -1.06 -0.17 0.00 -2.44 0.00 0.00 57.07 53.56 3hf9 s TYR 107 Cb -0.00 -1.60 0.10 0.00 0.35 0.00 0.00 41.96 40.81 3hf9 s TYR 107 CO 0.03 -0.48 0.56 0.34 -1.34 0.00 0.00 175.55 174.66 3hf9 s ASP 108 N 0.70 6.18 0.24 4.32 2.15 -0.55 -4.86 116.67 124.85 3hf9 s ASP 108 Ca -0.11 -1.44 -0.03 0.00 0.43 0.00 0.00 52.55 51.40 3hf9 s ASP 108 Cb -0.16 -2.25 0.26 0.00 -0.30 0.00 0.00 42.92 40.48 3hf9 s ASP 108 CO 0.02 -0.90 1.68 0.16 -0.17 0.00 0.00 175.17 175.96 3hf9 h ILE 109 N 5.87 1.26 0.00 4.11 3.07 -1.97 -2.07 117.51 127.78 3hf9 h ILE 109 Ca -0.29 -1.22 0.00 0.00 1.55 0.00 0.00 64.86 64.90 3hf9 h ILE 109 Cb 1.10 1.13 0.00 0.00 -0.27 0.00 0.00 36.82 38.78 3hf9 h ILE 109 CO 1.01 0.41 0.00 1.41 -1.05 0.00 0.00 178.15 179.93 3hf9 n HIS 110 N -4.14 0.00 -2.49 0.16 8.25 -1.26 -4.79 115.22 110.95 3hf9 n HIS 110 Ca 0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.07 3hf9 n HIS 110 Cb 0.39 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.40 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 3.38 0.11 -1.41 0.00 -0.78 -4.95 121.76 115.99 3hf9 s ALA 111 Ca 0.12 0.88 -0.20 0.00 0.00 0.00 0.00 51.96 52.75 3hf9 s ALA 111 Cb 0.06 -3.32 -0.08 0.00 0.00 0.00 0.00 23.12 19.78 3hf9 s ALA 111 CO 0.10 -0.16 1.74 0.66 0.00 0.00 0.00 175.76 178.10 3hf9 h SER 112 N 3.70 0.21 -3.56 0.00 4.64 -1.89 -3.40 113.55 113.25 3hf9 h SER 112 Ca -0.47 -0.04 -0.71 0.00 -0.47 0.00 0.00 61.79 60.10 3hf9 h SER 112 Cb 1.21 -0.05 -0.23 0.00 -0.31 0.00 0.00 62.40 63.02 3hf9 h SER 112 CO 0.66 0.19 -0.48 -0.62 -0.87 0.00 0.00 176.83 175.71 3hf9 s ASP 113 N -5.40 5.88 0.45 4.97 3.68 -1.26 -4.97 116.67 120.03 3hf9 s ASP 113 Ca -0.13 -0.90 0.31 0.00 2.13 0.00 0.00 52.55 53.96 3hf9 s ASP 113 Cb 0.08 -2.08 1.44 0.00 -1.45 0.00 0.00 42.92 40.90 3hf9 s ASP 113 CO 0.69 -0.39 1.93 -0.65 0.13 0.00 0.00 175.17 176.88 3hf9 h PRO 114 N 8.51 0.00 -0.37 4.34 0.11 -1.95 -2.77 132.00 139.87 3hf9 h PRO 114 Ca -0.27 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.74 3hf9 h PRO 114 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3hf9 h PRO 114 CO 0.69 0.00 -0.17 1.96 -0.21 0.00 0.00 178.00 180.26 3hf9 h GLN 115 N 0.00 0.77 -1.20 1.05 1.08 -1.93 -3.28 115.11 111.61 3hf9 h GLN 115 Ca 0.00 -0.34 -0.61 0.00 -1.45 0.00 0.00 58.65 56.25 3hf9 h GLN 115 Cb 0.28 -0.02 -0.39 0.00 -0.05 0.00 0.00 27.48 27.30 3hf9 h GLN 115 CO 0.00 0.95 -0.30 -1.13 -0.95 0.00 0.00 178.83 177.40 3hf9 n SER 116 N -4.29 5.60 -0.45 1.46 3.41 -1.06 -0.09 113.62 118.21 3hf9 n SER 116 Ca -0.02 -3.76 0.13 0.00 -0.26 0.00 0.00 58.87 54.96 3hf9 n SER 116 Cb 0.41 -0.57 0.35 0.00 -0.26 0.00 0.00 64.21 64.15 3hf9 n SER 116 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hf9 n ALA 117 N -0.64 2.88 -1.77 7.33 0.00 -1.15 -4.89 120.51 122.27 3hf9 n ALA 117 Ca 0.46 -0.48 -0.38 0.00 0.00 0.00 0.00 53.44 53.04 3hf9 n ALA 117 Cb 0.73 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 -2.25 2.83 -0.01 0.00 0.00 -1.26 -1.48 107.32 105.14 3hf9 s GLY 118 Ca 0.29 1.07 0.01 0.00 0.00 0.00 0.00 44.72 46.09 3hf9 s GLY 118 CO 0.43 1.56 -0.02 0.50 0.00 0.00 0.00 173.10 175.58 3hf9 s ARG 119 N -2.65 0.26 -0.08 2.90 1.81 0.10 -4.91 118.95 116.39 3hf9 s ARG 119 Ca 0.64 -0.04 0.02 0.00 -1.72 0.00 0.00 55.73 54.63 3hf9 s ARG 119 Cb -0.33 -0.32 0.01 0.00 -0.45 0.00 0.00 34.95 33.86 3hf9 s ARG 119 CO 0.40 -0.01 -0.14 0.42 -0.68 0.00 0.00 175.30 175.29 3hf9 s ILE 120 N 0.33 1.27 -0.05 1.52 1.01 -1.26 -1.06 121.20 122.96 3hf9 s ILE 120 Ca -0.03 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.10 3hf9 s ILE 120 Cb -0.06 -1.16 0.01 0.00 0.01 0.00 0.00 42.46 41.26 3hf9 s ILE 120 CO -0.01 0.39 -0.12 -0.69 0.00 0.00 0.00 174.94 174.51 3hf9 s VAL 121 N 0.71 1.09 0.33 2.92 1.01 -0.06 -1.80 120.40 124.61 3hf9 s VAL 121 Ca -0.13 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.40 3hf9 s VAL 121 Cb -0.16 -0.97 -0.07 0.00 0.00 0.00 0.00 36.38 35.18 3hf9 s VAL 121 CO 0.03 0.33 0.05 -0.94 0.00 0.00 0.00 175.10 174.58 3hf9 s SER 122 N 0.40 2.53 -0.00 3.32 1.04 -0.50 -0.04 113.70 120.46 3hf9 s SER 122 Ca -0.09 -1.38 0.06 0.00 0.48 0.00 0.00 55.95 55.02 3hf9 s SER 122 Cb -0.13 -0.12 -0.02 0.00 0.10 0.00 0.00 66.02 65.86 3hf9 s SER 122 CO 0.02 -0.59 -0.18 -0.36 0.98 0.00 0.00 173.24 173.11 3hf9 s PHE 123 N -3.23 1.60 0.82 5.02 0.40 -1.18 -1.27 117.98 120.13 3hf9 s PHE 123 Ca 0.36 -0.31 -0.09 0.00 -0.60 0.00 0.00 56.93 56.29 3hf9 s PHE 123 Cb 0.09 -1.01 0.14 0.00 0.51 0.00 0.00 43.02 42.75 3hf9 s PHE 123 CO 0.16 -0.01 1.14 0.16 0.70 0.00 0.00 175.22 177.37 3hf9 s ASP 124 N -0.57 3.96 0.38 1.36 1.47 -0.57 -4.81 116.67 117.89 3hf9 s ASP 124 Ca 0.07 0.11 0.17 0.00 1.18 0.00 0.00 52.55 54.07 3hf9 s ASP 124 Cb -0.07 -0.42 1.07 0.00 -0.34 0.00 0.00 42.92 43.16 3hf9 s ASP 124 CO -0.00 -2.15 1.74 0.00 0.68 0.00 0.00 175.17 175.43 3hf9 h ALA 125 N -1.01 2.14 -0.54 2.11 0.00 -2.01 -1.45 119.26 118.49 3hf9 h ALA 125 Ca -0.42 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3hf9 h ALA 125 Cb 1.27 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3hf9 h ALA 125 CO 0.45 -0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.09 3hf9 n ALA 126 N -2.42 3.02 -1.28 0.00 0.00 -1.26 -4.92 120.51 113.65 3hf9 n ALA 126 Ca 0.27 -1.32 -0.02 0.00 0.00 0.00 0.00 53.44 52.37 3hf9 n ALA 126 Cb 0.90 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 19.32 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 1.00 0.47 3.78 0.00 0.00 -0.55 -4.99 105.19 104.90 3hf9 n GLY 127 Ca 0.22 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.97 2.27 0.70 -0.02 0.00 -1.26 -4.63 107.32 101.41 3hf9 s GLY 128 Ca 0.00 -0.43 -0.11 0.00 0.00 0.00 0.00 44.72 44.18 3hf9 s GLY 128 CO 0.00 0.23 1.09 0.66 0.00 0.00 0.00 173.10 175.08 3hf9 s TRP 129 N -0.15 3.31 -0.23 1.90 1.48 -1.26 -1.51 118.94 122.48 3hf9 s TRP 129 Ca 0.18 1.01 -0.11 0.00 -1.06 0.00 0.00 56.10 56.12 3hf9 s TRP 129 Cb -0.14 -3.06 0.08 0.00 -1.16 0.00 0.00 33.47 29.19 3hf9 s TRP 129 CO 0.06 -1.17 0.53 1.21 -4.06 0.00 0.00 176.95 173.53 3hf9 s ASN 130 N -4.36 -0.70 -0.08 -2.66 3.04 -0.40 -4.89 114.94 104.90 3hf9 s ASN 130 Ca 0.58 1.21 -0.18 0.00 0.04 0.00 0.00 52.86 54.50 3hf9 s ASN 130 Cb -0.11 1.27 -0.05 0.00 -1.54 0.00 0.00 41.25 40.83 3hf9 s ASN 130 CO 0.51 -0.22 0.49 -0.63 -3.04 0.00 0.00 177.10 174.21 3hf9 s ILE 131 N 1.88 5.11 -0.35 -5.21 1.01 -1.26 -1.41 121.20 120.98 3hf9 s ILE 131 Ca -0.08 0.99 -0.21 0.00 0.00 0.00 0.00 60.65 61.35 3hf9 s ILE 131 Cb -0.08 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.57 3hf9 s ILE 131 CO -0.16 0.39 0.68 -1.61 0.00 0.00 0.00 174.94 174.24 3hf9 s GLU 132 N 0.18 3.75 0.00 2.79 0.41 -0.74 -4.89 118.70 120.19 3hf9 s GLU 132 Ca 0.26 0.19 0.16 0.00 -0.41 0.00 0.00 54.97 55.18 3hf9 s GLU 132 Cb -0.16 -3.79 0.09 0.00 -1.78 0.00 0.00 34.13 28.49 3hf9 s GLU 132 CO 0.12 -0.73 0.97 0.39 -0.49 0.00 0.00 175.26 175.52 3hf9 n GLU 133 N 6.12 1.45 0.00 1.61 1.02 -1.26 -4.29 120.64 125.28 3hf9 n GLU 133 Ca 0.00 -1.26 0.14 0.00 -0.02 0.00 0.00 57.16 56.02 3hf9 n GLU 133 Cb 0.48 -1.30 0.53 0.00 -0.02 0.00 0.00 31.44 31.13 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 0.58 0.36 0.00 3.49 1.02 -1.26 -4.96 120.64 119.87 3hf9 n GLU 134 Ca 0.09 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 3hf9 n GLU 134 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 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 1.39 3.18 3.21 0.62 0.00 -1.26 -5.01 105.19 107.32 3hf9 n GLY 135 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.60 1.18 -0.03 1.61 1.13 -1.26 -0.55 117.35 116.82 3hf9 s TYR 136 Ca 0.00 -1.38 -0.29 0.00 -1.41 0.00 0.00 57.07 53.99 3hf9 s TYR 136 Cb 0.00 -0.55 0.10 0.00 -1.10 0.00 0.00 41.96 40.41 3hf9 s TYR 136 CO 0.00 -0.66 0.90 -1.14 -2.51 0.00 0.00 175.55 172.14 3hf9 s GLN 137 N -4.12 0.80 -0.07 -3.49 2.00 -0.48 -4.94 119.66 109.37 3hf9 s GLN 137 Ca 0.39 -0.23 -0.19 0.00 -2.00 0.00 0.00 55.36 53.33 3hf9 s GLN 137 Cb 0.07 0.37 0.04 0.00 0.80 0.00 0.00 33.01 34.28 3hf9 s GLN 137 CO 0.13 -0.34 0.44 0.00 -0.50 0.00 0.00 175.29 175.02 3hf9 s ALA 138 N -2.82 -1.12 0.12 1.58 0.00 -1.26 -1.42 121.76 116.84 3hf9 s ALA 138 Ca 0.04 0.85 0.04 0.00 0.00 0.00 0.00 51.96 52.89 3hf9 s ALA 138 Cb -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 3hf9 s ALA 138 CO -0.07 -0.27 -0.10 0.14 0.00 0.00 0.00 175.76 175.45 3hf9 s VAL 139 N -0.81 1.07 0.00 0.00 -7.23 -0.55 -4.85 120.40 108.02 3hf9 s VAL 139 Ca -0.09 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 3hf9 s VAL 139 Cb -0.03 -1.63 0.00 0.00 0.56 0.00 0.00 36.38 35.27 3hf9 s VAL 139 CO 0.04 -0.66 0.00 0.61 -0.31 0.00 0.00 175.10 174.79 3hf9 n GLY 140 N 0.15 -2.55 0.28 2.32 0.00 -1.26 -1.07 105.19 103.06 3hf9 n GLY 140 Ca -0.13 -2.17 -0.02 0.00 0.00 0.00 0.00 46.02 43.70 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 0.64 -0.29 1.61 4.64 -1.96 -0.88 113.55 117.30 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 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 3hf9 h SER 141 CO 0.00 0.69 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 3hf9 n GLY 142 N -0.78 0.59 0.36 -0.77 0.00 -1.26 -4.44 105.19 98.89 3hf9 n GLY 142 Ca 0.02 -0.33 0.01 0.00 0.00 0.00 0.00 46.02 45.72 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 1.74 0.93 -0.31 1.61 4.64 -1.38 -2.01 113.55 118.76 3hf9 h SER 143 Ca 0.00 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 3hf9 h SER 143 Cb 0.48 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3hf9 h SER 143 CO 0.02 0.66 0.03 -0.07 -0.87 0.00 0.00 176.83 176.61 3hf9 h LEU 144 N 1.09 0.51 -0.55 5.97 3.38 -1.81 -0.76 115.31 123.14 3hf9 h LEU 144 Ca 0.31 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3hf9 h LEU 144 Cb -0.08 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3hf9 h LEU 144 CO -0.07 0.66 0.05 -0.26 0.09 0.00 0.00 178.44 178.91 3hf9 h PHE 145 N 0.35 1.01 -0.09 1.13 0.04 -1.82 -2.01 116.94 115.55 3hf9 h PHE 145 Ca 0.09 -0.16 -0.00 0.00 2.80 0.00 0.00 57.97 60.71 3hf9 h PHE 145 Cb 0.38 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 38.25 3hf9 h PHE 145 CO 0.03 0.91 0.05 0.00 -0.60 0.00 0.00 178.31 178.70 3hf9 h ALA 146 N 0.98 0.12 -0.78 2.45 0.00 -1.11 -0.60 119.26 120.31 3hf9 h ALA 146 Ca 0.16 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3hf9 h ALA 146 Cb 0.47 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3hf9 h ALA 146 CO 0.02 -0.35 0.51 0.87 0.00 0.00 0.00 179.25 180.29 3hf9 h LYS 147 N 0.07 0.97 -0.01 0.00 1.57 -1.10 0.05 116.57 118.12 3hf9 h LYS 147 Ca 0.03 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 3hf9 h LYS 147 Cb 0.06 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 3hf9 h LYS 147 CO -0.01 0.64 -0.48 0.77 -0.57 0.00 0.00 179.45 179.81 3hf9 h SER 148 N 1.00 0.02 -0.15 0.86 0.02 -1.10 -0.20 113.55 114.00 3hf9 h SER 148 Ca 0.30 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.19 3hf9 h SER 148 Cb -0.04 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 3hf9 h SER 148 CO -0.09 0.50 -0.12 -1.28 -1.14 0.00 0.00 176.83 174.69 3hf9 h SER 149 N 0.02 0.36 -0.88 3.07 0.87 -0.75 -3.20 113.55 113.04 3hf9 h SER 149 Ca -0.00 -0.46 0.06 0.00 -1.23 0.00 0.00 61.79 60.16 3hf9 h SER 149 Cb 0.85 -0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.66 3hf9 h SER 149 CO 0.06 0.74 0.57 0.24 -0.53 0.00 0.00 176.83 177.92 3hf9 h MET 150 N -0.02 0.97 -0.76 2.24 2.07 -0.74 -2.11 114.93 116.57 3hf9 h MET 150 Ca 0.03 -0.06 0.17 0.00 -2.07 0.00 0.00 59.70 57.77 3hf9 h MET 150 Cb 0.63 -0.22 -0.12 0.00 -1.87 0.00 0.00 31.60 30.02 3hf9 h MET 150 CO 0.03 0.64 0.17 -0.22 1.07 0.00 0.00 176.91 178.60 3hf9 h LYS 151 N 1.00 0.23 0.00 1.72 3.64 -1.03 0.18 116.57 122.31 3hf9 h LYS 151 Ca 0.38 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.54 3hf9 h LYS 151 Cb 0.20 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 3hf9 h LYS 151 CO -0.14 0.15 -0.98 0.87 -2.27 0.00 0.00 179.45 177.09 3hf9 h LYS 152 N 0.24 0.00 0.00 1.90 1.79 -1.48 -3.35 116.57 115.66 3hf9 h LYS 152 Ca 0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.91 3hf9 h LYS 152 Cb 0.78 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 3hf9 h LYS 152 CO -0.56 0.98 -0.89 1.28 -1.08 0.00 0.00 179.45 179.19 3hf9 n LEU 153 N -3.36 0.77 -0.15 2.94 4.77 -0.64 -4.48 117.00 116.84 3hf9 n LEU 153 Ca 0.00 -0.27 -0.05 0.00 -0.03 0.00 0.00 56.01 55.66 3hf9 n LEU 153 Cb 0.93 -0.09 0.13 0.00 -2.33 0.00 0.00 43.42 42.06 3hf9 n LEU 153 CO 0.47 0.18 0.90 0.22 -1.33 0.00 0.00 177.39 177.83 3hf9 h TYR 154 N 0.00 0.95 -1.34 -1.77 3.20 -0.81 -1.42 116.97 115.78 3hf9 h TYR 154 Ca 0.00 -0.12 0.42 0.00 3.14 0.00 0.00 58.73 62.17 3hf9 h TYR 154 Cb 0.55 -0.26 -0.11 0.00 1.54 0.00 0.00 36.73 38.44 3hf9 h TYR 154 CO 0.00 0.83 0.88 0.66 -1.64 0.00 0.00 178.16 178.90 3hf9 h SER 155 N 0.84 0.23 -0.02 -2.11 4.64 -1.82 0.16 113.55 115.46 3hf9 h SER 155 Ca 0.17 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3hf9 h SER 155 Cb 0.42 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3hf9 h SER 155 CO 0.01 -0.12 0.00 0.00 -0.87 0.00 0.00 176.83 175.86 3hf9 n GLN 156 N -4.58 1.12 -2.99 4.77 6.02 -0.53 -4.81 117.38 116.38 3hf9 n GLN 156 Ca 0.36 -0.18 -0.42 0.00 -0.01 0.00 0.00 57.00 56.75 3hf9 n GLN 156 Cb 1.40 -1.33 -0.05 0.00 1.02 0.00 0.00 30.24 31.28 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 4.82 0.00 5.09 1.01 0.04 -4.82 120.40 124.57 3hf9 s VAL 157 Ca 0.31 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.36 3hf9 s VAL 157 Cb 0.15 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.41 3hf9 s VAL 157 CO 0.24 -0.24 0.00 0.35 0.00 0.00 0.00 175.10 175.45 3hf9 n THR 158 N 5.53 0.00 -4.13 3.92 -2.24 -1.26 -4.86 114.28 111.24 3hf9 n THR 158 Ca 0.02 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.72 3hf9 n THR 158 Cb 0.48 -0.33 -0.04 0.00 -2.10 0.00 0.00 70.33 68.35 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 -1.28 -0.33 0.22 3.42 5.75 -1.26 -4.47 116.55 118.60 3hf9 n ASP 159 Ca 0.00 -2.01 0.08 0.00 -0.01 0.00 0.00 54.79 52.85 3hf9 n ASP 159 Cb 0.21 0.77 0.50 0.00 -1.03 0.00 0.00 41.12 41.58 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 0.94 0.00 0.70 6.12 0.00 -1.96 -2.15 103.07 106.72 3hf9 h GLY 160 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.09 3hf9 h GLY 160 CO 0.16 0.00 -0.50 -1.80 0.00 0.00 0.00 176.54 174.40 3hf9 h ASP 161 N 0.00 0.45 -0.20 0.19 -0.00 -1.99 -1.98 116.42 112.90 3hf9 h ASP 161 Ca -0.00 -0.76 -0.13 0.00 -0.00 0.00 0.00 57.03 56.14 3hf9 h ASP 161 Cb 0.59 -0.14 -0.01 0.00 -0.00 0.00 0.00 39.33 39.77 3hf9 h ASP 161 CO 0.03 1.15 -0.35 0.77 -0.00 0.00 0.00 179.24 180.84 3hf9 h SER 162 N -0.20 0.75 -0.91 2.28 4.64 -1.90 -1.67 113.55 116.54 3hf9 h SER 162 Ca -0.06 -0.32 0.09 0.00 -0.47 0.00 0.00 61.79 61.03 3hf9 h SER 162 Cb 1.21 -0.21 -0.06 0.00 -0.31 0.00 0.00 62.40 63.03 3hf9 h SER 162 CO 0.10 1.03 0.58 1.23 -0.87 0.00 0.00 176.83 178.90 3hf9 h GLY 163 N 0.96 1.32 1.33 -0.77 0.00 -1.42 -0.28 103.07 104.21 3hf9 h GLY 163 Ca 0.06 -0.39 -0.13 0.00 0.00 0.00 0.00 47.33 46.88 3hf9 h GLY 163 CO 0.08 0.23 -0.30 -2.00 0.00 0.00 0.00 176.54 174.55 3hf9 h LEU 164 N 0.94 0.78 -0.09 3.11 6.46 -0.58 -1.93 115.31 124.01 3hf9 h LEU 164 Ca 0.41 -0.31 -0.02 0.00 -0.12 0.00 0.00 57.88 57.83 3hf9 h LEU 164 Cb 0.35 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 40.06 3hf9 h LEU 164 CO -0.17 1.03 -0.04 -0.09 -0.62 0.00 0.00 178.44 178.54 3hf9 h ARG 165 N 0.64 0.18 -0.41 1.25 2.43 -0.43 -1.64 114.38 116.41 3hf9 h ARG 165 Ca 0.07 -0.08 0.08 0.00 -0.81 0.00 0.00 59.98 59.25 3hf9 h ARG 165 Cb 0.83 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.29 3hf9 h ARG 165 CO 0.07 0.55 -0.09 0.28 -1.51 0.00 0.00 179.97 179.26 3hf9 h VAL 166 N -0.19 0.60 -0.27 0.20 2.07 -1.11 0.17 116.25 117.71 3hf9 h VAL 166 Ca 0.02 -0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.60 3hf9 h VAL 166 Cb 0.49 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 30.78 3hf9 h VAL 166 CO 0.01 0.00 -0.19 0.00 0.02 0.00 0.00 177.57 177.42 3hf9 h ALA 167 N 1.41 -0.00 -0.51 1.67 0.00 -1.30 0.24 119.26 120.76 3hf9 h ALA 167 Ca 0.20 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 3hf9 h ALA 167 Cb 0.30 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3hf9 h ALA 167 CO -0.42 -0.59 0.20 0.28 0.00 0.00 0.00 179.25 178.72 3hf9 h VAL 168 N -0.17 1.19 -0.28 0.00 2.07 -0.90 -1.70 116.25 116.45 3hf9 h VAL 168 Ca 0.15 -0.60 -0.17 0.00 0.82 0.00 0.00 66.70 66.90 3hf9 h VAL 168 Cb 0.39 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3hf9 h VAL 168 CO -0.37 0.23 -0.51 -0.08 0.02 0.00 0.00 177.57 176.86 3hf9 h GLU 169 N 0.73 0.80 -0.56 1.57 4.81 -0.01 -1.55 114.58 120.37 3hf9 h GLU 169 Ca 0.18 -0.48 0.07 0.00 -0.13 0.00 0.00 59.36 58.99 3hf9 h GLU 169 Cb 0.15 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.52 3hf9 h GLU 169 CO -0.02 1.12 0.24 0.00 -0.73 0.00 0.00 179.01 179.62 3hf9 h ALA 170 N 0.79 0.71 0.00 2.92 0.00 -0.28 0.65 119.26 124.06 3hf9 h ALA 170 Ca 0.02 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3hf9 h ALA 170 Cb 1.09 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3hf9 h ALA 170 CO 0.11 -0.15 -0.22 -0.07 0.00 0.00 0.00 179.25 178.93 3hf9 h LEU 171 N 0.45 0.00 -0.05 0.00 3.38 -1.20 -0.70 115.31 117.19 3hf9 h LEU 171 Ca 0.27 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.06 3hf9 h LEU 171 Cb 0.26 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.02 3hf9 h LEU 171 CO -0.24 0.22 -0.64 0.22 0.09 0.00 0.00 178.44 178.09 3hf9 h TYR 172 N 0.00 0.74 -0.62 1.13 3.20 -0.27 -2.30 116.97 118.85 3hf9 h TYR 172 Ca -0.00 -0.37 -0.04 0.00 3.14 0.00 0.00 58.73 61.46 3hf9 h TYR 172 Cb 0.56 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 3hf9 h TYR 172 CO 0.00 1.17 0.22 -0.44 -1.64 0.00 0.00 178.16 177.47 3hf9 h ASP 173 N 0.10 0.85 -0.39 -2.11 3.32 -0.61 -1.79 116.42 115.78 3hf9 h ASP 173 Ca -0.06 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 3hf9 h ASP 173 Cb 1.31 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 3hf9 h ASP 173 CO 0.13 0.79 0.21 0.00 -1.72 0.00 0.00 179.24 178.65 3hf9 h ALA 174 N 1.33 0.51 0.00 3.45 0.00 -1.09 -2.21 119.26 121.25 3hf9 h ALA 174 Ca 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hf9 h ALA 174 Cb 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3hf9 h ALA 174 CO -0.01 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.27 3hf9 h ALA 175 N 1.07 1.00 0.00 0.00 0.00 -0.93 -0.94 119.26 119.46 3hf9 h ALA 175 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.83 3hf9 h ALA 175 Cb 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3hf9 h ALA 175 CO -0.02 0.00 -1.09 0.22 0.00 0.00 0.00 179.25 178.36 3hf9 h ASP 176 N 0.00 0.00 -0.00 0.00 3.58 -0.70 -3.33 116.42 115.97 3hf9 h ASP 176 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3hf9 h ASP 176 Cb 0.44 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.49 3hf9 h ASP 176 CO 0.00 0.99 -0.21 0.47 -2.88 0.00 0.00 179.24 177.61 3hf9 n ASP 177 N -3.30 0.92 -3.99 2.28 8.00 -1.05 -4.96 116.55 114.44 3hf9 n ASP 177 Ca -0.02 -0.96 -0.24 0.00 0.71 0.00 0.00 54.79 54.28 3hf9 n ASP 177 Cb 0.95 0.59 -0.17 0.00 -0.02 0.00 0.00 41.12 42.47 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 -1.30 1.74 0.13 -2.24 2.15 -0.38 -5.03 116.67 111.73 3hf9 s ASP 178 Ca 0.06 -0.28 0.27 0.00 0.43 0.00 0.00 52.55 53.03 3hf9 s ASP 178 Cb 0.06 -0.79 0.90 0.00 -0.30 0.00 0.00 42.92 42.80 3hf9 s ASP 178 CO 0.23 0.00 1.78 -1.54 -0.17 0.00 0.00 175.17 175.47 3hf9 n SER 179 N 3.99 0.54 -0.02 -0.34 3.41 -1.26 -3.28 113.62 116.66 3hf9 n SER 179 Ca -0.22 0.49 0.12 0.00 -0.26 0.00 0.00 58.87 59.00 3hf9 n SER 179 Cb 0.51 -0.60 0.27 0.00 -0.26 0.00 0.00 64.21 64.13 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 -1.69 3.50 -2.83 7.33 0.00 -1.26 -4.76 120.51 120.80 3hf9 n ALA 180 Ca 0.06 -0.35 -0.35 0.00 0.00 0.00 0.00 53.44 52.80 3hf9 n ALA 180 Cb 0.40 -1.13 -0.10 0.00 0.00 0.00 0.00 19.45 18.62 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 -2.96 4.60 0.03 0.00 2.01 -1.20 -4.70 115.64 113.41 3hf9 s THR 181 Ca 0.12 -0.11 -0.14 0.00 0.31 0.00 0.00 61.69 61.87 3hf9 s THR 181 Cb 0.18 -3.04 -0.06 0.00 0.01 0.00 0.00 72.50 69.59 3hf9 s THR 181 CO 0.68 0.50 0.42 -0.83 -0.69 0.00 0.00 174.62 174.71 3hf9 s GLY 182 N 0.08 2.46 0.43 4.40 0.00 -1.26 -4.51 107.32 108.91 3hf9 s GLY 182 Ca 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 44.72 44.51 3hf9 s GLY 182 CO 0.01 0.09 0.59 0.61 0.00 0.00 0.00 173.10 174.40 3hf9 n GLY 183 N 1.56 0.43 3.64 0.20 0.00 -1.26 -4.51 105.19 105.25 3hf9 n GLY 183 Ca -0.12 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 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 -4.01 4.00 -0.53 1.61 0.02 -1.26 -4.89 135.00 129.94 3hf9 s PRO 184 Ca 0.38 1.80 -0.22 0.00 0.02 0.00 0.00 61.00 62.98 3hf9 s PRO 184 Cb -0.02 -3.96 0.04 0.00 0.02 0.00 0.00 34.50 30.58 3hf9 s PRO 184 CO 0.25 -1.04 0.83 0.34 -0.33 0.00 0.00 177.00 177.04 3hf9 s ASP 185 N 3.49 6.31 0.11 2.53 3.68 -0.37 -4.88 116.67 127.55 3hf9 s ASP 185 Ca 0.68 -0.51 0.07 0.00 2.13 0.00 0.00 52.55 54.92 3hf9 s ASP 185 Cb -0.26 -2.38 -0.21 0.00 -1.45 0.00 0.00 42.92 38.61 3hf9 s ASP 185 CO 0.26 -1.09 1.25 -0.07 0.13 0.00 0.00 175.17 175.66 3hf9 h LEU 186 N 10.49 0.02 -0.69 -1.34 3.38 -1.94 -0.39 115.31 124.85 3hf9 h LEU 186 Ca -0.26 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 3hf9 h LEU 186 Cb 1.08 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 3hf9 h LEU 186 CO 1.04 1.02 0.40 0.58 0.09 0.00 0.00 178.44 181.56 3hf9 h VAL 187 N 0.00 1.20 0.00 1.22 2.07 -1.97 -3.14 116.25 115.64 3hf9 h VAL 187 Ca -0.03 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3hf9 h VAL 187 Cb 1.79 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3hf9 h VAL 187 CO 0.13 0.22 -1.01 0.54 0.02 0.00 0.00 177.57 177.47 3hf9 n ARG 188 N -4.53 0.09 -3.05 1.57 1.74 -1.23 -4.99 116.66 106.27 3hf9 n ARG 188 Ca 0.06 -0.02 -0.13 0.00 -0.77 0.00 0.00 57.85 56.99 3hf9 n ARG 188 Cb 0.07 -1.51 0.06 0.00 -1.02 0.00 0.00 32.46 30.06 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 -0.12 3.16 -0.13 0.00 -0.24 -5.03 105.19 104.29 3hf9 n GLY 189 Ca 0.03 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3hf9 n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hf9 s ILE 190 N -3.25 1.97 0.28 -0.61 1.01 -0.69 -5.01 121.20 114.90 3hf9 s ILE 190 Ca 0.07 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 59.82 3hf9 s ILE 190 Cb -0.03 -1.74 -0.06 0.00 0.01 0.00 0.00 42.46 40.65 3hf9 s ILE 190 CO 0.51 0.53 0.01 -0.36 0.00 0.00 0.00 174.94 175.64 3hf9 s PHE 191 N 0.72 1.80 0.66 3.97 0.40 -1.26 -1.23 117.98 123.05 3hf9 s PHE 191 Ca -0.10 -0.90 -0.17 0.00 -0.60 0.00 0.00 56.93 55.15 3hf9 s PHE 191 Cb -0.16 -1.10 -0.00 0.00 0.51 0.00 0.00 43.02 42.26 3hf9 s PHE 191 CO 0.01 0.03 1.24 -2.30 0.70 0.00 0.00 175.22 174.90 3hf9 n PRO 192 N -0.56 0.97 -3.43 0.24 -0.02 -1.26 -4.79 135.00 126.15 3hf9 n PRO 192 Ca -0.04 0.39 -0.34 0.00 -2.02 0.00 0.00 63.50 61.50 3hf9 n PRO 192 Cb 0.65 -2.47 -0.05 0.00 -0.02 0.00 0.00 33.50 31.60 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 -1.49 4.94 0.18 3.45 -4.23 -0.85 -4.90 115.64 112.73 3hf9 s THR 193 Ca 0.81 0.59 -0.00 0.00 -1.18 0.00 0.00 61.69 61.91 3hf9 s THR 193 Cb -0.37 -3.67 -0.04 0.00 1.34 0.00 0.00 72.50 69.75 3hf9 s THR 193 CO 0.42 0.12 0.07 0.00 -0.54 0.00 0.00 174.62 174.69 3hf9 s ALA 194 N -1.60 1.16 -0.04 3.99 0.00 -1.26 -1.41 121.76 122.59 3hf9 s ALA 194 Ca 0.41 -1.62 -0.04 0.00 0.00 0.00 0.00 51.96 50.71 3hf9 s ALA 194 Cb -0.13 0.99 0.01 0.00 0.00 0.00 0.00 23.12 23.99 3hf9 s ALA 194 CO 0.20 -0.48 0.12 0.08 0.00 0.00 0.00 175.76 175.67 3hf9 s VAL 195 N -3.97 -0.00 -0.07 0.00 1.01 0.05 -1.99 120.40 115.42 3hf9 s VAL 195 Ca 0.30 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.35 3hf9 s VAL 195 Cb 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 36.38 36.27 3hf9 s VAL 195 CO 0.07 0.01 -0.22 -0.63 0.00 0.00 0.00 175.10 174.32 3hf9 s ILE 196 N 0.15 2.27 -0.08 2.22 1.01 -0.21 -1.46 121.20 125.10 3hf9 s ILE 196 Ca -0.01 -0.98 0.05 0.00 0.00 0.00 0.00 60.65 59.71 3hf9 s ILE 196 Cb -0.02 -1.85 -0.00 0.00 0.01 0.00 0.00 42.46 40.60 3hf9 s ILE 196 CO -0.00 0.56 -0.24 -0.63 0.00 0.00 0.00 174.94 174.63 3hf9 s ILE 197 N -0.05 2.07 0.00 2.92 1.01 0.02 -0.62 121.20 126.55 3hf9 s ILE 197 Ca -0.06 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.55 3hf9 s ILE 197 Cb -0.15 -1.77 0.00 0.00 0.01 0.00 0.00 42.46 40.55 3hf9 s ILE 197 CO 0.05 0.56 0.00 -0.90 0.00 0.00 0.00 174.94 174.65 3hf9 n ASP 198 N 3.30 0.00 -0.28 3.58 3.85 -0.83 -1.42 116.55 124.75 3hf9 n ASP 198 Ca -0.18 -0.98 -0.00 0.00 -0.71 0.00 0.00 54.79 52.91 3hf9 n ASP 198 Cb 0.53 0.00 0.19 0.00 -1.35 0.00 0.00 41.12 40.49 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 1.36 1.39 -0.79 2.12 0.00 -1.95 -2.20 119.26 119.19 3hf9 h ALA 199 Ca 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3hf9 h ALA 199 Cb 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 3hf9 h ALA 199 CO 0.00 0.57 0.30 -0.44 0.00 0.00 0.00 179.25 179.68 3hf9 h ASP 200 N 1.16 1.10 -2.22 0.00 3.45 -1.96 -3.49 116.42 114.46 3hf9 h ASP 200 Ca 0.31 -0.18 0.00 0.00 0.43 0.00 0.00 57.03 57.59 3hf9 h ASP 200 Cb -0.13 -0.29 0.00 0.00 -0.56 0.00 0.00 39.33 38.35 3hf9 h ASP 200 CO -0.07 0.98 0.00 0.61 -1.57 0.00 0.00 179.24 179.19 3hf9 n GLY 201 N -0.85 -0.18 3.66 2.75 0.00 -0.83 -5.06 105.19 104.68 3hf9 n GLY 201 Ca 0.07 -1.62 -0.37 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.08 3.59 0.00 4.61 0.00 0.11 -1.97 121.76 127.03 3hf9 s ALA 202 Ca 0.00 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.26 3hf9 s ALA 202 Cb 0.00 -2.44 -0.01 0.00 0.00 0.00 0.00 23.12 20.66 3hf9 s ALA 202 CO 0.00 -0.24 -0.16 0.08 0.00 0.00 0.00 175.76 175.45 3hf9 s VAL 203 N 1.16 1.23 0.10 0.00 1.01 0.21 -4.97 120.40 119.13 3hf9 s VAL 203 Ca 0.12 -0.77 -0.31 0.00 0.00 0.00 0.00 61.98 61.02 3hf9 s VAL 203 Cb -0.14 -1.04 -0.07 0.00 0.00 0.00 0.00 36.38 35.13 3hf9 s VAL 203 CO 0.06 0.26 1.22 -1.81 0.00 0.00 0.00 175.10 174.83 3hf9 s ASP 204 N -0.59 7.05 -0.01 3.32 1.01 -1.26 -1.04 116.67 125.15 3hf9 s ASP 204 Ca 0.05 2.11 -0.30 0.00 0.71 0.00 0.00 52.55 55.12 3hf9 s ASP 204 Cb -0.07 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 3hf9 s ASP 204 CO -0.00 -0.47 1.08 -0.69 0.21 0.00 0.00 175.17 175.30 3hf9 s VAL 205 N 0.80 4.53 0.46 -1.27 1.01 -0.84 -4.91 120.40 120.17 3hf9 s VAL 205 Ca 0.58 1.81 -0.24 0.00 0.00 0.00 0.00 61.98 64.13 3hf9 s VAL 205 Cb -0.31 -4.16 -0.07 0.00 0.00 0.00 0.00 36.38 31.83 3hf9 s VAL 205 CO 0.31 0.10 1.30 -2.84 0.00 0.00 0.00 175.10 173.97 3hf9 s PRO 206 N 1.34 3.68 0.25 2.72 0.02 -1.26 -4.53 135.00 137.22 3hf9 s PRO 206 Ca 0.54 2.12 -0.06 0.00 0.02 0.00 0.00 61.00 63.62 3hf9 s PRO 206 Cb -0.24 -2.54 0.28 0.00 0.02 0.00 0.00 34.50 32.02 3hf9 s PRO 206 CO 0.26 -0.72 1.92 1.49 -0.33 0.00 0.00 177.00 179.62 3hf9 h GLU 207 N 2.19 1.27 -0.78 5.54 4.81 -1.95 -2.95 114.58 122.71 3hf9 h GLU 207 Ca -0.50 -0.08 0.09 0.00 -0.13 0.00 0.00 59.36 58.74 3hf9 h GLU 207 Cb 1.26 -0.29 -0.07 0.00 0.63 0.00 0.00 28.75 30.29 3hf9 h GLU 207 CO 0.60 0.84 0.43 0.77 -0.73 0.00 0.00 179.01 180.93 3hf9 h SER 208 N 1.31 0.61 -0.48 1.04 0.02 -1.99 -0.15 113.55 113.91 3hf9 h SER 208 Ca 0.37 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.35 3hf9 h SER 208 Cb -0.10 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 3hf9 h SER 208 CO -0.10 0.35 0.19 -0.09 -1.14 0.00 0.00 176.83 176.05 3hf9 h ARG 209 N 0.73 0.71 -0.68 3.45 2.43 -1.91 -0.97 114.38 118.15 3hf9 h ARG 209 Ca 0.37 -0.13 -0.07 0.00 -0.81 0.00 0.00 59.98 59.35 3hf9 h ARG 209 Cb 0.34 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 3hf9 h ARG 209 CO -0.24 0.63 0.15 0.82 -1.51 0.00 0.00 179.97 179.82 3hf9 h ILE 210 N 0.63 1.26 -0.68 1.20 2.04 -1.48 -1.12 117.51 119.35 3hf9 h ILE 210 Ca 0.16 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 3hf9 h ILE 210 Cb 0.19 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 3hf9 h ILE 210 CO -0.01 0.37 0.32 0.00 0.00 0.00 0.00 178.15 178.82 3hf9 h ALA 211 N 1.13 0.88 -0.51 1.87 0.00 -0.71 -0.44 119.26 121.48 3hf9 h ALA 211 Ca 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3hf9 h ALA 211 Cb 0.38 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3hf9 h ALA 211 CO 0.00 0.45 0.29 1.49 0.00 0.00 0.00 179.25 181.48 3hf9 h GLU 212 N 0.95 0.70 -0.73 0.00 4.81 -0.64 -0.48 114.58 119.19 3hf9 h GLU 212 Ca 0.23 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3hf9 h GLU 212 Cb 0.13 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 3hf9 h GLU 212 CO -0.03 0.54 0.37 -0.07 -0.73 0.00 0.00 179.01 179.09 3hf9 h LEU 213 N 0.68 0.94 -0.59 1.64 3.38 -0.70 -0.60 115.31 120.06 3hf9 h LEU 213 Ca 0.18 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3hf9 h LEU 213 Cb 0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3hf9 h LEU 213 CO -0.03 0.79 0.26 0.00 0.09 0.00 0.00 178.44 179.55 3hf9 h ALA 214 N 1.18 0.77 -0.73 1.53 0.00 -0.65 -0.94 119.26 120.42 3hf9 h ALA 214 Ca 0.25 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3hf9 h ALA 214 Cb 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3hf9 h ALA 214 CO -0.04 0.36 0.35 0.00 0.00 0.00 0.00 179.25 179.93 3hf9 h ARG 215 N 0.82 1.05 -0.39 0.00 3.08 -0.66 -0.76 114.38 117.51 3hf9 h ARG 215 Ca 0.20 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 3hf9 h ARG 215 Cb 0.17 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3hf9 h ARG 215 CO -0.02 0.82 0.23 0.00 -1.07 0.00 0.00 179.97 179.93 3hf9 h ALA 216 N 1.17 0.50 -0.55 0.04 0.00 -0.63 -0.23 119.26 119.55 3hf9 h ALA 216 Ca 0.25 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3hf9 h ALA 216 Cb 0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3hf9 h ALA 216 CO -0.03 0.00 0.33 0.82 0.00 0.00 0.00 179.25 180.37 3hf9 h ILE 217 N 0.51 1.17 -0.63 0.00 2.04 -0.70 -0.22 117.51 119.68 3hf9 h ILE 217 Ca 0.14 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 3hf9 h ILE 217 Cb 0.02 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 3hf9 h ILE 217 CO -0.03 0.18 0.29 0.40 0.00 0.00 0.00 178.15 178.99 3hf9 h ILE 218 N 0.75 1.22 -0.72 -0.67 2.04 -0.74 -2.15 117.51 117.24 3hf9 h ILE 218 Ca 0.20 -0.65 -0.05 0.00 1.00 0.00 0.00 64.86 65.36 3hf9 h ILE 218 Cb -0.00 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 3hf9 h ILE 218 CO -0.04 0.26 0.24 -0.33 0.00 0.00 0.00 178.15 178.29 3hf9 h GLU 219 N 0.87 1.11 -0.43 2.37 5.08 -0.69 -2.54 114.58 120.34 3hf9 h GLU 219 Ca 0.21 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3hf9 h GLU 219 Cb 0.15 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3hf9 h GLU 219 CO -0.02 0.93 0.12 1.03 -1.00 0.00 0.00 179.01 180.07 3hf9 h SER 220 N 1.07 0.57 0.92 1.42 0.87 -0.66 -3.02 113.55 114.72 3hf9 h SER 220 Ca 0.24 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3hf9 h SER 220 Cb 0.28 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 3hf9 h SER 220 CO -0.01 0.56 -0.91 0.03 -0.53 0.00 0.00 176.83 175.96 3hf9 h ARG 221 N 0.61 0.00 0.00 2.24 3.08 -1.22 -3.51 114.38 115.58 3hf9 h ARG 221 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3hf9 h ARG 221 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3hf9 h ARG 221 CO -0.01 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.32