#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 3.36 0.03 12.58 -1.09 -0.29 -2.62 121.20 133.17 3hf9 s ILE 3 Ca 0.00 -0.87 0.02 0.00 -2.23 0.00 0.00 60.65 57.56 3hf9 s ILE 3 Cb 0.00 -2.43 -0.02 0.00 -1.58 0.00 0.00 42.46 38.43 3hf9 s ILE 3 CO 0.00 0.40 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.36 3hf9 s VAL 4 N -0.95 0.46 -0.17 2.92 1.01 0.01 -1.37 120.40 122.31 3hf9 s VAL 4 Ca 0.16 -0.82 -0.15 0.00 0.00 0.00 0.00 61.98 61.17 3hf9 s VAL 4 Cb -0.11 -0.50 0.05 0.00 0.00 0.00 0.00 36.38 35.82 3hf9 s VAL 4 CO 0.06 -0.26 0.45 0.00 0.00 0.00 0.00 175.10 175.36 3hf9 s ALA 5 N -1.03 -1.13 -0.02 5.51 0.00 -0.76 -0.84 121.76 123.47 3hf9 s ALA 5 Ca -0.07 1.36 -0.13 0.00 0.00 0.00 0.00 51.96 53.12 3hf9 s ALA 5 Cb -0.08 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.27 3hf9 s ALA 5 CO 0.00 -0.23 0.28 -0.48 0.00 0.00 0.00 175.76 175.34 3hf9 s LEU 6 N 0.49 0.96 0.06 0.00 0.05 -0.52 -1.59 118.68 118.13 3hf9 s LEU 6 Ca -0.02 0.11 -0.23 0.00 0.05 0.00 0.00 54.13 54.04 3hf9 s LEU 6 Cb -0.04 1.15 -0.06 0.00 -2.05 0.00 0.00 46.19 45.18 3hf9 s LEU 6 CO -0.02 -0.39 0.69 -0.54 -0.55 0.00 0.00 176.35 175.54 3hf9 s LYS 7 N -1.14 4.42 0.44 1.48 1.02 0.03 -1.50 119.74 124.48 3hf9 s LYS 7 Ca -0.12 0.94 0.04 0.00 0.02 0.00 0.00 55.97 56.86 3hf9 s LYS 7 Cb -0.05 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.89 3hf9 s LYS 7 CO 0.03 0.42 0.02 1.52 -0.92 0.00 0.00 175.35 176.42 3hf9 s TYR 8 N -0.47 2.18 -0.28 3.18 -0.85 -0.68 -4.94 117.35 115.50 3hf9 s TYR 8 Ca 0.34 -0.84 -0.29 0.00 -0.52 0.00 0.00 57.07 55.76 3hf9 s TYR 8 Cb -0.20 -1.63 -0.02 0.00 0.38 0.00 0.00 41.96 40.49 3hf9 s TYR 8 CO 0.21 0.28 1.76 -2.14 -1.52 0.00 0.00 175.55 174.14 3hf9 s PRO 9 N -3.79 3.50 0.00 -3.49 0.02 -1.26 -2.12 135.00 127.86 3hf9 s PRO 9 Ca 0.24 1.57 0.00 0.00 0.02 0.00 0.00 61.00 62.83 3hf9 s PRO 9 Cb 0.06 -4.15 0.00 0.00 0.02 0.00 0.00 34.50 30.43 3hf9 s PRO 9 CO 0.12 -1.66 0.00 0.41 -0.33 0.00 0.00 177.00 175.55 3hf9 n GLY 10 N 5.17 0.48 0.00 0.52 0.00 0.74 -4.73 105.19 107.36 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 -1.73 1.20 3.09 -0.02 0.00 -0.90 -4.05 105.19 102.78 3hf9 n GLY 11 Ca 0.00 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.43 0.53 0.07 1.61 -7.23 -0.53 -1.68 120.40 110.72 3hf9 s VAL 12 Ca 0.00 -1.41 0.07 0.00 -1.81 0.00 0.00 61.98 58.83 3hf9 s VAL 12 Cb 0.00 -1.01 -0.03 0.00 0.56 0.00 0.00 36.38 35.90 3hf9 s VAL 12 CO 0.00 -0.61 -0.19 0.54 -0.31 0.00 0.00 175.10 174.53 3hf9 s VAL 13 N -2.35 1.56 -0.01 1.32 0.11 -0.56 -0.62 120.40 119.86 3hf9 s VAL 13 Ca -0.02 -1.32 0.01 0.00 -2.93 0.00 0.00 61.98 57.72 3hf9 s VAL 13 Cb -0.03 -1.40 0.00 0.00 -1.53 0.00 0.00 36.38 33.42 3hf9 s VAL 13 CO -0.02 0.03 -0.04 -0.32 -3.33 0.00 0.00 175.10 171.42 3hf9 s MET 14 N -1.52 0.38 0.04 1.54 1.75 -0.48 -1.43 119.30 119.59 3hf9 s MET 14 Ca 0.05 -0.13 -0.04 0.00 -1.25 0.00 0.00 55.69 54.33 3hf9 s MET 14 Cb -0.09 -0.39 -0.02 0.00 2.84 0.00 0.00 34.83 37.17 3hf9 s MET 14 CO 0.03 0.06 0.05 0.00 -0.65 0.00 0.00 175.02 174.51 3hf9 s ALA 15 N 0.08 0.08 -0.11 4.11 0.00 -0.02 -0.97 121.76 124.92 3hf9 s ALA 15 Ca -0.01 -0.70 -0.19 0.00 0.00 0.00 0.00 51.96 51.06 3hf9 s ALA 15 Cb -0.04 0.25 0.04 0.00 0.00 0.00 0.00 23.12 23.38 3hf9 s ALA 15 CO -0.00 -0.32 0.47 0.20 0.00 0.00 0.00 175.76 176.11 3hf9 s GLY 16 N -2.24 -0.34 1.18 0.00 0.00 -0.50 -0.81 107.32 104.60 3hf9 s GLY 16 Ca -0.03 1.08 -0.18 0.00 0.00 0.00 0.00 44.72 45.58 3hf9 s GLY 16 CO -0.06 0.85 1.11 0.51 0.00 0.00 0.00 173.10 175.51 3hf9 s ASP 17 N -0.44 1.13 0.00 1.64 3.84 -1.08 -1.89 116.67 119.88 3hf9 s ASP 17 Ca -0.06 0.70 0.05 0.00 -0.00 0.00 0.00 52.55 53.24 3hf9 s ASP 17 Cb -0.03 -0.99 0.05 0.00 -1.38 0.00 0.00 42.92 40.56 3hf9 s ASP 17 CO 0.03 -4.00 0.72 0.54 -0.00 0.00 0.00 175.17 172.47 3hf9 n ARG 18 N -4.69 0.18 -2.28 2.11 5.12 -1.26 -4.55 116.66 111.29 3hf9 n ARG 18 Ca 0.12 -0.93 -0.30 0.00 -1.93 0.00 0.00 57.85 54.81 3hf9 n ARG 18 Cb 0.59 -1.09 -0.00 0.00 -1.16 0.00 0.00 32.46 30.80 3hf9 n ARG 18 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3hf9 s ARG 19 N -0.49 3.63 -0.20 5.56 6.06 -1.26 -1.62 118.95 130.63 3hf9 s ARG 19 Ca 0.06 0.56 -0.16 0.00 -2.50 0.00 0.00 55.73 53.69 3hf9 s ARG 19 Cb 0.04 -2.21 0.05 0.00 0.06 0.00 0.00 34.95 32.89 3hf9 s ARG 19 CO 0.06 -0.37 0.52 -1.54 -2.50 0.00 0.00 175.30 171.47 3hf9 s SER 20 N -3.94 -0.57 0.22 -2.12 1.04 -0.85 -4.85 113.70 102.62 3hf9 s SER 20 Ca 0.52 1.06 0.11 0.00 0.48 0.00 0.00 55.95 58.13 3hf9 s SER 20 Cb -0.11 1.04 -0.05 0.00 0.10 0.00 0.00 66.02 67.01 3hf9 s SER 20 CO 0.46 -0.19 -0.21 0.42 0.98 0.00 0.00 173.24 174.71 3hf9 s THR 21 N 0.59 2.51 -0.62 2.02 -4.23 -1.26 -1.01 115.64 113.64 3hf9 s THR 21 Ca -0.03 -2.12 0.04 0.00 -1.18 0.00 0.00 61.69 58.41 3hf9 s THR 21 Cb -0.05 -2.25 0.16 0.00 1.34 0.00 0.00 72.50 71.70 3hf9 s THR 21 CO -0.03 -0.22 0.41 -1.58 -0.54 0.00 0.00 174.62 172.66 3hf9 s GLN 22 N -2.99 2.17 7.24 3.99 0.74 -0.14 -4.83 119.66 125.83 3hf9 s GLN 22 Ca 0.25 -3.01 0.00 0.00 0.05 0.00 0.00 55.36 52.65 3hf9 s GLN 22 Cb -0.07 -3.19 0.00 0.00 1.10 0.00 0.00 33.01 30.85 3hf9 s GLN 22 CO 0.12 -1.24 0.00 0.41 -0.55 0.00 0.00 175.29 174.03 3hf9 n GLY 23 N 2.40 2.05 0.09 2.59 0.00 -1.26 -3.10 105.19 107.97 3hf9 n GLY 23 Ca 0.16 -0.45 -0.02 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 8.89 0.85 -4.76 1.61 3.02 -1.26 -4.94 115.26 118.67 3hf9 n ASN 24 Ca 0.00 0.38 -0.41 0.00 -0.03 0.00 0.00 54.58 54.52 3hf9 n ASN 24 Cb 0.00 0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.26 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 -2.84 4.40 -0.28 3.52 -1.94 -1.18 -4.98 119.30 116.00 3hf9 s MET 25 Ca -0.03 2.13 -0.24 0.00 -1.71 0.00 0.00 55.69 55.84 3hf9 s MET 25 Cb 0.08 -3.12 -0.00 0.00 2.01 0.00 0.00 34.83 33.80 3hf9 s MET 25 CO 0.82 -0.16 0.79 0.42 -0.01 0.00 0.00 175.02 176.88 3hf9 s ILE 26 N -0.78 4.82 -0.97 2.53 1.01 -1.26 -0.97 121.20 125.58 3hf9 s ILE 26 Ca 0.51 1.33 0.15 0.00 0.00 0.00 0.00 60.65 62.64 3hf9 s ILE 26 Cb -0.38 -4.12 -0.11 0.00 0.01 0.00 0.00 42.46 37.86 3hf9 s ILE 26 CO 0.47 -0.16 0.71 -1.54 0.00 0.00 0.00 174.94 174.43 3hf9 n SER 27 N 6.09 1.02 -3.64 3.58 3.41 -0.18 -4.92 113.62 118.98 3hf9 n SER 27 Ca 0.04 -1.01 -0.13 0.00 -0.26 0.00 0.00 58.87 57.51 3hf9 n SER 27 Cb 0.48 0.82 -0.07 0.00 -0.26 0.00 0.00 64.21 65.18 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 -2.25 -0.52 0.00 5.00 0.00 -0.82 -4.94 107.32 103.79 3hf9 s GLY 28 Ca 0.08 1.97 0.00 0.00 0.00 0.00 0.00 44.72 46.77 3hf9 s GLY 28 CO 0.55 1.73 0.19 0.54 0.00 0.00 0.00 173.10 176.12 3hf9 n ARG 29 N 2.89 3.85 0.00 2.90 1.74 -1.26 -2.02 116.66 124.77 3hf9 n ARG 29 Ca -0.15 -0.19 0.03 0.00 -0.77 0.00 0.00 57.85 56.77 3hf9 n ARG 29 Cb 0.56 -0.69 -0.01 0.00 -1.02 0.00 0.00 32.46 31.30 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 -0.61 0.74 -4.67 0.55 5.68 -1.13 -4.60 116.55 112.51 3hf9 n ASP 30 Ca 0.00 -0.87 -0.46 0.00 -0.50 0.00 0.00 54.79 52.96 3hf9 n ASP 30 Cb 0.00 0.59 -0.04 0.00 -1.14 0.00 0.00 41.12 40.53 3hf9 n ASP 30 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 3hf9 n VAL 31 N -0.53 0.64 -3.11 2.12 0.31 -0.64 -4.98 118.33 112.13 3hf9 n VAL 31 Ca 0.02 -0.12 -0.40 0.00 -0.01 0.00 0.00 64.34 63.84 3hf9 n VAL 31 Cb 0.10 -2.03 -0.05 0.00 -0.91 0.00 0.00 33.84 30.95 3hf9 n VAL 31 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3hf9 s ARG 32 N 4.18 4.28 -0.01 5.55 0.52 -1.26 -4.31 118.95 127.90 3hf9 s ARG 32 Ca 0.91 0.67 0.07 0.00 -0.52 0.00 0.00 55.73 56.87 3hf9 s ARG 32 Cb -0.60 -3.53 -0.11 0.00 0.52 0.00 0.00 34.95 31.23 3hf9 s ARG 32 CO 0.48 -0.13 0.18 1.63 0.02 0.00 0.00 175.30 177.48 3hf9 n LYS 33 N 4.63 1.06 -4.02 3.54 5.02 -1.26 -4.76 118.16 122.37 3hf9 n LYS 33 Ca -0.02 -0.05 -0.35 0.00 -2.02 0.00 0.00 58.31 55.87 3hf9 n LYS 33 Cb 0.50 -1.11 -0.12 0.00 -0.02 0.00 0.00 35.03 34.28 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 -2.34 4.11 0.07 -0.18 1.01 -1.26 -2.78 120.40 119.02 3hf9 s VAL 34 Ca -0.02 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.75 3hf9 s VAL 34 Cb 0.05 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 3hf9 s VAL 34 CO 0.30 0.42 -0.14 -0.31 0.00 0.00 0.00 175.10 175.37 3hf9 s TYR 35 N 1.02 1.17 -0.29 5.22 1.51 -0.60 -4.97 117.35 120.41 3hf9 s TYR 35 Ca 0.02 -0.47 -0.24 0.00 -1.01 0.00 0.00 57.07 55.38 3hf9 s TYR 35 Cb -0.14 -0.66 -0.00 0.00 -0.11 0.00 0.00 41.96 41.05 3hf9 s TYR 35 CO 0.02 0.05 0.80 0.42 -1.11 0.00 0.00 175.55 175.73 3hf9 s ILE 36 N -1.32 4.79 -0.37 2.71 1.01 -1.26 -1.37 121.20 125.40 3hf9 s ILE 36 Ca -0.02 1.27 0.22 0.00 0.00 0.00 0.00 60.65 62.11 3hf9 s ILE 36 Cb -0.10 -4.15 -0.22 0.00 0.01 0.00 0.00 42.46 38.01 3hf9 s ILE 36 CO 0.02 -0.22 0.76 0.35 0.00 0.00 0.00 174.94 175.85 3hf9 n THR 37 N 5.49 0.12 -3.82 2.92 -2.24 -1.02 -4.97 114.28 110.76 3hf9 n THR 37 Ca 0.04 -0.36 -0.06 0.00 -2.27 0.00 0.00 64.05 61.40 3hf9 n THR 37 Cb 0.48 0.18 -0.00 0.00 -2.10 0.00 0.00 70.33 68.89 3hf9 n THR 37 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hf9 s ASP 38 N -4.22 -0.13 0.35 3.42 2.15 -1.09 -4.38 116.67 112.77 3hf9 s ASP 38 Ca -0.01 -0.73 0.05 0.00 0.43 0.00 0.00 52.55 52.28 3hf9 s ASP 38 Cb 0.14 0.68 0.70 0.00 -0.30 0.00 0.00 42.92 44.14 3hf9 s ASP 38 CO 0.86 -1.31 1.94 0.44 -0.17 0.00 0.00 175.17 176.93 3hf9 h ASP 39 N 2.00 0.72 -0.13 -0.34 3.32 -1.96 -2.96 116.42 117.07 3hf9 h ASP 39 Ca -0.25 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.81 3hf9 h ASP 39 Cb 1.24 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.65 3hf9 h ASP 39 CO 0.30 0.45 0.00 -1.22 -1.72 0.00 0.00 179.24 177.06 3hf9 n TYR 40 N -4.49 0.30 -4.07 4.55 4.02 -1.26 -0.52 117.16 115.69 3hf9 n TYR 40 Ca 0.12 -0.72 -0.07 0.00 -0.01 0.00 0.00 57.90 57.21 3hf9 n TYR 40 Cb 0.24 -0.13 -0.10 0.00 -0.02 0.00 0.00 39.34 39.33 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 -1.92 0.20 -0.06 -0.72 -4.23 -1.12 0.22 115.64 108.02 3hf9 s THR 41 Ca 0.23 -1.75 -0.26 0.00 -1.18 0.00 0.00 61.69 58.73 3hf9 s THR 41 Cb 0.18 -1.56 0.06 0.00 1.34 0.00 0.00 72.50 72.52 3hf9 s THR 41 CO 0.06 -0.90 0.58 0.00 -0.54 0.00 0.00 174.62 173.81 3hf9 s ALA 42 N -3.93 -1.49 -0.02 3.99 0.00 0.00 -2.44 121.76 117.89 3hf9 s ALA 42 Ca 0.09 1.10 0.06 0.00 0.00 0.00 0.00 51.96 53.20 3hf9 s ALA 42 Cb 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 3hf9 s ALA 42 CO -0.09 -0.33 -0.20 0.95 0.00 0.00 0.00 175.76 176.09 3hf9 s THR 43 N -1.08 1.57 -0.03 0.00 -4.23 -0.47 -1.17 115.64 110.22 3hf9 s THR 43 Ca -0.11 -0.85 0.07 0.00 -1.18 0.00 0.00 61.69 59.62 3hf9 s THR 43 Cb -0.02 -1.31 -0.01 0.00 1.34 0.00 0.00 72.50 72.50 3hf9 s THR 43 CO 0.08 0.44 -0.24 -0.83 -0.54 0.00 0.00 174.62 173.53 3hf9 s GLY 44 N -0.47 1.21 -0.08 3.99 0.00 -0.58 -1.56 107.32 109.83 3hf9 s GLY 44 Ca 0.08 -1.03 0.03 0.00 0.00 0.00 0.00 44.72 43.80 3hf9 s GLY 44 CO -0.01 -0.76 -0.17 -0.42 0.00 0.00 0.00 173.10 171.74 3hf9 s ILE 45 N -0.39 1.54 -1.51 0.90 1.09 -1.12 -1.01 121.20 120.72 3hf9 s ILE 45 Ca 0.04 -0.72 -0.11 0.00 -1.10 0.00 0.00 60.65 58.77 3hf9 s ILE 45 Cb -0.11 -1.36 0.00 0.00 -1.06 0.00 0.00 42.46 39.93 3hf9 s ILE 45 CO 0.01 0.44 2.57 0.00 -0.10 0.00 0.00 174.94 177.86 3hf9 n ALA 46 N 3.68 6.66 -3.00 9.38 0.00 -1.26 -4.79 120.51 131.18 3hf9 n ALA 46 Ca -0.21 -3.78 0.00 0.00 0.00 0.00 0.00 53.44 49.44 3hf9 n ALA 46 Cb 0.52 -3.31 0.00 0.00 0.00 0.00 0.00 19.45 16.66 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 3.42 4.62 3.70 0.00 0.00 -1.26 -4.90 105.19 110.76 3hf9 n GLY 47 Ca 0.65 -1.50 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.48 2.41 0.25 2.61 -4.23 -1.26 -4.82 115.64 109.13 3hf9 s THR 48 Ca 0.00 0.13 -0.03 0.00 -1.18 0.00 0.00 61.69 60.62 3hf9 s THR 48 Cb 0.00 -2.29 0.23 0.00 1.34 0.00 0.00 72.50 71.78 3hf9 s THR 48 CO 0.00 -0.17 1.78 0.00 -0.54 0.00 0.00 174.62 175.68 3hf9 h ALA 49 N -1.69 1.21 -0.13 3.99 0.00 -1.96 -2.66 119.26 118.02 3hf9 h ALA 49 Ca -0.44 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 3hf9 h ALA 49 Cb 1.26 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3hf9 h ALA 49 CO 0.44 -0.04 -0.10 0.00 0.00 0.00 0.00 179.25 179.56 3hf9 h ALA 50 N 1.52 0.18 -0.76 0.00 0.00 -1.93 -2.88 119.26 115.39 3hf9 h ALA 50 Ca 0.43 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 55.11 3hf9 h ALA 50 Cb 0.54 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 3hf9 h ALA 50 CO -0.32 0.02 0.46 0.28 0.00 0.00 0.00 179.25 179.68 3hf9 h VAL 51 N -0.08 1.02 -0.71 0.00 2.07 -1.86 0.40 116.25 117.09 3hf9 h VAL 51 Ca 0.02 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 3hf9 h VAL 51 Cb 0.60 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3hf9 h VAL 51 CO 0.03 0.15 0.30 0.00 0.02 0.00 0.00 177.57 178.07 3hf9 h ALA 52 N 1.37 0.92 0.14 1.67 0.00 -1.43 -1.99 119.26 119.94 3hf9 h ALA 52 Ca 0.33 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3hf9 h ALA 52 Cb 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3hf9 h ALA 52 CO -0.17 0.53 -0.07 0.28 0.00 0.00 0.00 179.25 179.83 3hf9 h VAL 53 N 1.01 0.84 -0.52 0.00 2.07 -1.16 -2.54 116.25 115.96 3hf9 h VAL 53 Ca 0.24 -1.22 0.11 0.00 0.82 0.00 0.00 66.70 66.65 3hf9 h VAL 53 Cb 0.18 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 3hf9 h VAL 53 CO -0.02 0.23 0.35 -0.33 0.02 0.00 0.00 177.57 177.82 3hf9 h GLU 54 N -0.89 0.23 0.02 1.57 4.39 -0.22 0.46 114.58 120.15 3hf9 h GLU 54 Ca -0.02 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 3hf9 h GLU 54 Cb 0.52 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 3hf9 h GLU 54 CO 0.03 0.15 -0.01 0.35 -1.16 0.00 0.00 179.01 178.37 3hf9 h PHE 55 N 0.24 -0.03 -0.43 4.33 3.04 -1.43 -2.61 116.94 120.04 3hf9 h PHE 55 Ca 0.24 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.27 3hf9 h PHE 55 Cb 0.64 0.01 -0.07 0.00 2.56 0.00 0.00 35.95 39.09 3hf9 h PHE 55 CO -0.00 0.69 0.04 0.00 -2.02 0.00 0.00 178.31 177.02 3hf9 h ALA 56 N -0.08 0.44 -0.42 2.41 0.00 -0.93 -1.30 119.26 119.38 3hf9 h ALA 56 Ca -0.00 0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.10 3hf9 h ALA 56 Cb 0.74 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.60 3hf9 h ALA 56 CO 0.01 -0.36 -0.24 -0.09 0.00 0.00 0.00 179.25 178.56 3hf9 h ARG 57 N 0.16 -0.16 0.07 0.00 2.43 -0.16 0.11 114.38 116.84 3hf9 h ARG 57 Ca 0.22 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.40 3hf9 h ARG 57 Cb 0.29 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3hf9 h ARG 57 CO -0.32 -0.11 -0.09 1.25 -1.51 0.00 0.00 179.97 179.20 3hf9 h LEU 58 N -0.16 -0.23 -0.70 3.80 5.85 -1.21 -1.08 115.31 121.58 3hf9 h LEU 58 Ca 0.20 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.99 3hf9 h LEU 58 Cb 0.48 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 3hf9 h LEU 58 CO -0.52 -0.13 0.42 0.22 -0.34 0.00 0.00 178.44 178.08 3hf9 h TYR 59 N -0.18 0.78 -0.08 1.25 3.20 -0.57 -0.85 116.97 120.51 3hf9 h TYR 59 Ca 0.01 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 3hf9 h TYR 59 Cb 0.19 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 3hf9 h TYR 59 CO -0.12 0.41 -0.21 0.00 -1.64 0.00 0.00 178.16 176.61 3hf9 h ALA 60 N 1.32 1.51 0.00 1.82 0.00 -0.62 -0.74 119.26 122.55 3hf9 h ALA 60 Ca 0.29 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hf9 h ALA 60 Cb 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3hf9 h ALA 60 CO -0.14 0.36 0.00 0.28 0.00 0.00 0.00 179.25 179.75 3hf9 h VAL 61 N 0.12 0.00 0.11 0.00 2.07 0.14 -2.83 116.25 115.86 3hf9 h VAL 61 Ca 0.02 -0.58 -0.35 0.00 0.82 0.00 0.00 66.70 66.61 3hf9 h VAL 61 Cb 0.44 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 3hf9 h VAL 61 CO 0.03 0.00 -1.89 -0.33 0.02 0.00 0.00 177.57 175.40 3hf9 h GLU 62 N 0.00 0.24 -0.27 1.57 5.08 -0.11 -2.99 114.58 118.09 3hf9 h GLU 62 Ca 0.00 -0.41 -0.04 0.00 -1.00 0.00 0.00 59.36 57.91 3hf9 h GLU 62 Cb 0.70 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 3hf9 h GLU 62 CO 0.00 1.10 0.01 -0.07 -1.00 0.00 0.00 179.01 179.05 3hf9 h LEU 63 N 0.06 0.46 -0.09 1.33 3.38 -1.19 -3.01 115.31 116.26 3hf9 h LEU 63 Ca -0.38 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.19 3hf9 h LEU 63 Cb 2.04 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.67 3hf9 h LEU 63 CO 0.10 0.65 -0.35 -0.08 0.09 0.00 0.00 178.44 178.85 3hf9 h GLU 64 N 0.26 0.39 -1.04 1.13 4.81 -1.68 -2.98 114.58 115.47 3hf9 h GLU 64 Ca 0.08 -0.30 0.27 0.00 -0.13 0.00 0.00 59.36 59.28 3hf9 h GLU 64 Cb 0.41 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 29.73 3hf9 h GLU 64 CO 0.01 0.94 0.64 1.25 -0.73 0.00 0.00 179.01 181.12 3hf9 h HIS 65 N -0.07 0.83 -0.20 0.92 2.76 -1.57 0.34 115.15 118.16 3hf9 h HIS 65 Ca -0.02 0.03 -0.19 0.00 -2.20 0.00 0.00 60.37 58.00 3hf9 h HIS 65 Cb 0.99 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.72 3hf9 h HIS 65 CO 0.12 0.02 -0.60 -0.92 -1.30 0.00 0.00 177.93 175.26 3hf9 h TYR 66 N 0.45 1.00 -0.17 5.26 3.20 -1.52 -2.39 116.97 122.80 3hf9 h TYR 66 Ca 0.64 -0.40 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 3hf9 h TYR 66 Cb 1.46 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.56 3hf9 h TYR 66 CO -0.00 1.21 0.10 1.49 -1.64 0.00 0.00 178.16 179.32 3hf9 h GLU 67 N 0.50 0.23 -0.74 1.82 4.81 -0.31 0.17 114.58 121.05 3hf9 h GLU 67 Ca -0.02 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3hf9 h GLU 67 Cb 1.22 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 3hf9 h GLU 67 CO 0.13 0.18 0.48 0.87 -0.73 0.00 0.00 179.01 179.94 3hf9 h LYS 68 N 0.20 0.93 -0.41 1.92 1.57 -0.83 0.34 116.57 120.28 3hf9 h LYS 68 Ca 0.06 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.64 3hf9 h LYS 68 Cb 0.02 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 3hf9 h LYS 68 CO -0.01 0.62 -0.32 -0.07 -0.57 0.00 0.00 179.45 179.09 3hf9 h LEU 69 N 0.96 0.99 -1.25 2.94 3.38 -0.97 -3.35 115.31 118.02 3hf9 h LEU 69 Ca 0.28 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3hf9 h LEU 69 Cb -0.05 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.42 3hf9 h LEU 69 CO -0.08 1.22 -0.11 -0.62 0.09 0.00 0.00 178.44 178.93 3hf9 n GLU 70 N -4.08 1.32 0.00 1.13 -0.58 0.55 -4.99 120.64 113.99 3hf9 n GLU 70 Ca -0.01 -1.08 0.00 0.00 -0.42 0.00 0.00 57.16 55.65 3hf9 n GLU 70 Cb 0.51 -1.23 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 2.83 3.32 0.62 0.00 0.12 -4.97 105.19 107.99 3hf9 n GLY 71 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 3hf9 n GLY 71 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hf9 s VAL 72 N -1.25 1.27 0.63 1.61 -7.23 -1.24 -4.95 120.40 109.23 3hf9 s VAL 72 Ca 0.00 -2.08 -0.13 0.00 -1.81 0.00 0.00 61.98 57.95 3hf9 s VAL 72 Cb 0.00 -2.13 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 3hf9 s VAL 72 CO 0.00 -0.52 1.05 -2.84 -0.31 0.00 0.00 175.10 172.48 3hf9 s PRO 73 N -3.77 3.27 0.67 4.82 0.02 -1.26 -4.00 135.00 134.75 3hf9 s PRO 73 Ca 0.23 1.04 -0.16 0.00 0.02 0.00 0.00 61.00 62.13 3hf9 s PRO 73 Cb 0.03 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.53 3hf9 s PRO 73 CO 0.06 -0.84 1.19 -0.51 -0.33 0.00 0.00 177.00 176.57 3hf9 s LEU 74 N -4.92 3.46 0.94 -5.54 1.43 -1.26 -5.01 118.68 107.77 3hf9 s LEU 74 Ca 0.60 2.30 -0.12 0.00 -1.03 0.00 0.00 54.13 55.89 3hf9 s LEU 74 Cb -0.14 -4.59 0.15 0.00 0.03 0.00 0.00 46.19 41.65 3hf9 s LEU 74 CO 0.45 -1.90 1.09 0.42 0.23 0.00 0.00 176.35 176.63 3hf9 s THR 75 N -1.90 2.49 0.20 5.49 -4.23 -1.26 -4.69 115.64 111.74 3hf9 s THR 75 Ca 0.74 0.16 -0.10 0.00 -1.18 0.00 0.00 61.69 61.31 3hf9 s THR 75 Cb -0.28 -2.53 0.14 0.00 1.34 0.00 0.00 72.50 71.16 3hf9 s THR 75 CO 0.40 -0.21 1.76 0.15 -0.54 0.00 0.00 174.62 176.19 3hf9 h PHE 76 N -1.75 0.47 -0.64 3.99 3.57 -1.96 0.01 116.94 120.64 3hf9 h PHE 76 Ca -0.51 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.13 3hf9 h PHE 76 Cb 1.29 -0.12 -0.08 0.00 2.79 0.00 0.00 35.95 39.83 3hf9 h PHE 76 CO 0.41 0.17 0.21 0.00 -2.23 0.00 0.00 178.31 176.87 3hf9 h ALA 77 N 1.38 0.82 -0.56 2.41 0.00 -1.99 0.65 119.26 121.96 3hf9 h ALA 77 Ca 0.30 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.35 3hf9 h ALA 77 Cb 0.31 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3hf9 h ALA 77 CO -0.26 -0.23 0.31 0.78 0.00 0.00 0.00 179.25 179.86 3hf9 h GLY 78 N 0.37 0.81 0.69 0.00 0.00 -1.39 0.37 103.07 103.91 3hf9 h GLY 78 Ca 0.33 -0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.49 3hf9 h GLY 78 CO -0.36 0.16 0.29 0.50 0.00 0.00 0.00 176.54 177.14 3hf9 h LYS 79 N 0.61 0.54 -0.33 4.80 1.57 0.62 -1.36 116.57 123.01 3hf9 h LYS 79 Ca 0.24 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.94 3hf9 h LYS 79 Cb 0.10 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3hf9 h LYS 79 CO -0.14 0.36 0.03 0.82 -0.57 0.00 0.00 179.45 179.95 3hf9 h ILE 80 N 0.56 1.25 0.07 1.86 2.04 -0.56 -2.37 117.51 120.36 3hf9 h ILE 80 Ca 0.25 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 65.24 3hf9 h ILE 80 Cb 0.16 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 3hf9 h ILE 80 CO -0.17 0.29 -0.50 -1.13 0.00 0.00 0.00 178.15 176.64 3hf9 h ASN 81 N 0.39 -1.52 -1.00 1.72 -1.24 -0.40 0.17 115.58 113.70 3hf9 h ASN 81 Ca 0.10 0.16 0.19 0.00 0.71 0.00 0.00 56.30 57.46 3hf9 h ASN 81 Cb 0.40 0.57 -0.10 0.00 0.73 0.00 0.00 38.32 39.91 3hf9 h ASN 81 CO 0.01 -0.51 0.61 0.03 -1.29 0.00 0.00 177.43 176.28 3hf9 h ARG 82 N -0.68 0.75 0.13 6.67 2.47 -1.31 0.50 114.38 122.91 3hf9 h ARG 82 Ca -0.00 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 3hf9 h ARG 82 Cb 0.70 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 3hf9 h ARG 82 CO -0.29 0.50 -0.06 1.25 0.56 0.00 0.00 179.97 181.92 3hf9 h LEU 83 N 0.77 -0.15 -0.53 3.04 6.46 -0.85 -1.10 115.31 122.96 3hf9 h LEU 83 Ca 0.57 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 58.31 3hf9 h LEU 83 Cb 0.88 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.82 3hf9 h LEU 83 CO -0.37 -0.09 0.31 0.00 -0.62 0.00 0.00 178.44 177.68 3hf9 h ALA 84 N 0.67 0.68 -0.77 1.25 0.00 0.44 0.54 119.26 122.07 3hf9 h ALA 84 Ca -0.02 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.89 3hf9 h ALA 84 Cb 0.15 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 3hf9 h ALA 84 CO 0.03 0.18 0.44 0.82 0.00 0.00 0.00 179.25 180.72 3hf9 h ILE 85 N 0.71 0.96 -0.55 0.00 2.04 -0.86 -0.03 117.51 119.78 3hf9 h ILE 85 Ca 0.19 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 3hf9 h ILE 85 Cb 0.01 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.17 3hf9 h ILE 85 CO -0.03 0.14 0.13 -0.03 0.00 0.00 0.00 178.15 178.36 3hf9 h MET 86 N 0.79 0.89 0.13 2.37 4.05 -0.34 -0.93 114.93 121.89 3hf9 h MET 86 Ca 0.35 -0.22 -0.01 0.00 -0.28 0.00 0.00 59.70 59.55 3hf9 h MET 86 Cb 0.25 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.93 3hf9 h MET 86 CO -0.20 0.84 -0.06 0.28 0.23 0.00 0.00 176.91 177.99 3hf9 h VAL 87 N 0.79 0.98 -0.19 -5.77 2.07 -0.40 -2.68 116.25 111.05 3hf9 h VAL 87 Ca 0.17 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.28 3hf9 h VAL 87 Cb 0.35 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3hf9 h VAL 87 CO 0.00 0.10 0.13 0.03 0.02 0.00 0.00 177.57 177.85 3hf9 h ARG 88 N -0.37 0.20 -0.64 1.57 3.08 -1.01 -1.63 114.38 115.58 3hf9 h ARG 88 Ca -0.02 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3hf9 h ARG 88 Cb 0.30 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 3hf9 h ARG 88 CO 0.03 0.13 0.34 0.78 -1.07 0.00 0.00 179.97 180.19 3hf9 h GLY 89 N 0.21 0.95 1.32 0.04 0.00 -0.86 -2.90 103.07 101.83 3hf9 h GLY 89 Ca 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3hf9 h GLY 89 CO -0.01 0.40 -0.65 3.43 0.00 0.00 0.00 176.54 179.71 3hf9 h ASN 90 N 0.90 0.00 0.27 0.19 2.35 -0.99 -2.38 115.58 115.92 3hf9 h ASN 90 Ca 0.23 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3hf9 h ASN 90 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3hf9 h ASN 90 CO -0.04 0.02 -0.02 0.18 -1.65 0.00 0.00 177.43 175.92 3hf9 n LEU 91 N -2.67 0.15 -0.11 1.61 4.77 -0.97 -2.39 117.00 117.39 3hf9 n LEU 91 Ca 0.02 0.08 -0.21 0.00 -0.03 0.00 0.00 56.01 55.87 3hf9 n LEU 91 Cb 0.52 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 3hf9 n LEU 91 CO 0.37 0.03 -0.95 0.00 -1.33 0.00 0.00 177.39 175.51 3hf9 n ALA 92 N -1.04 0.95 -0.13 -1.18 0.00 -1.20 -5.10 120.51 112.81 3hf9 n ALA 92 Ca 0.19 -0.83 -0.04 0.00 0.00 0.00 0.00 53.44 52.75 3hf9 n ALA 92 Cb 0.20 -0.06 0.02 0.00 0.00 0.00 0.00 19.45 19.61 3hf9 n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hf9 h ALA 93 N -0.89 0.27 -1.41 0.00 0.00 -1.05 -3.52 119.26 112.65 3hf9 h ALA 93 Ca -0.39 0.16 -0.73 0.00 0.00 0.00 0.00 54.91 53.96 3hf9 h ALA 93 Cb 1.28 0.33 -0.32 0.00 0.00 0.00 0.00 17.79 19.08 3hf9 h ALA 93 CO -0.24 -0.46 0.48 1.28 0.00 0.00 0.00 179.25 180.32 3hf9 n LEU 99 N -5.32 6.50 -4.40 0.00 4.77 -1.26 -5.02 117.00 112.27 3hf9 n LEU 99 Ca 0.03 -5.27 -0.44 0.00 -0.03 0.00 0.00 56.01 50.30 3hf9 n LEU 99 Cb 0.23 -0.93 -0.04 0.00 -2.33 0.00 0.00 43.42 40.36 3hf9 n LEU 99 CO 0.14 2.05 0.61 0.00 -1.33 0.00 0.00 177.39 178.86 3hf9 s ALA 100 N -3.99 3.39 -0.32 -1.18 0.00 -1.26 -5.02 121.76 113.38 3hf9 s ALA 100 Ca 0.46 -2.35 -0.14 0.00 0.00 0.00 0.00 51.96 49.93 3hf9 s ALA 100 Cb 0.31 -3.71 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 3hf9 s ALA 100 CO -0.22 -2.58 0.33 -0.51 0.00 0.00 0.00 175.76 172.78 3hf9 s LEU 101 N 2.78 4.29 0.69 0.00 2.01 -1.26 -5.00 118.68 122.19 3hf9 s LEU 101 Ca 0.19 -0.10 -0.12 0.00 0.01 0.00 0.00 54.13 54.12 3hf9 s LEU 101 Cb -0.17 -2.30 0.01 0.00 0.01 0.00 0.00 46.19 43.73 3hf9 s LEU 101 CO 0.02 -0.25 1.06 -2.84 1.01 0.00 0.00 176.35 175.36 3hf9 s PRO 102 N 1.96 2.90 -0.10 1.29 0.02 -1.26 -4.35 135.00 135.46 3hf9 s PRO 102 Ca 0.11 1.03 0.00 0.00 0.02 0.00 0.00 61.00 62.16 3hf9 s PRO 102 Cb -0.16 -1.98 0.02 0.00 0.02 0.00 0.00 34.50 32.40 3hf9 s PRO 102 CO 0.11 -1.13 -0.08 -1.17 -0.33 0.00 0.00 177.00 174.40 3hf9 s LEU 103 N -5.43 1.25 -0.12 -5.54 0.20 -0.18 -2.93 118.68 105.93 3hf9 s LEU 103 Ca 0.59 -0.29 -0.01 0.00 0.69 0.00 0.00 54.13 55.11 3hf9 s LEU 103 Cb -0.15 -0.81 -0.02 0.00 -0.43 0.00 0.00 46.19 44.77 3hf9 s LEU 103 CO 0.52 -0.09 -0.07 -0.22 -0.29 0.00 0.00 176.35 176.20 3hf9 s LEU 104 N 1.50 3.08 -0.05 -0.68 2.96 0.15 -1.53 118.68 124.11 3hf9 s LEU 104 Ca 0.01 -0.15 0.06 0.00 -0.22 0.00 0.00 54.13 53.84 3hf9 s LEU 104 Cb -0.13 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 3hf9 s LEU 104 CO -0.06 0.23 -0.24 0.00 -1.32 0.00 0.00 176.35 174.96 3hf9 s ALA 105 N -0.01 2.21 0.26 5.97 0.00 -0.32 -0.67 121.76 129.21 3hf9 s ALA 105 Ca -0.01 -1.07 -0.17 0.00 0.00 0.00 0.00 51.96 50.72 3hf9 s ALA 105 Cb -0.14 -0.66 0.01 0.00 0.00 0.00 0.00 23.12 22.33 3hf9 s ALA 105 CO 0.03 0.46 0.59 0.20 0.00 0.00 0.00 175.76 177.04 3hf9 s GLY 106 N -0.36 0.25 -0.08 0.00 0.00 -0.63 -0.82 107.32 105.68 3hf9 s GLY 106 Ca 0.02 -0.62 0.03 0.00 0.00 0.00 0.00 44.72 44.15 3hf9 s GLY 106 CO 0.02 -0.38 -0.16 -0.47 0.00 0.00 0.00 173.10 172.10 3hf9 s TYR 107 N -3.97 1.87 -0.51 1.90 5.04 0.13 0.03 117.35 121.83 3hf9 s TYR 107 Ca 0.17 -0.75 -0.17 0.00 -2.44 0.00 0.00 57.07 53.88 3hf9 s TYR 107 Cb -0.03 -1.32 0.08 0.00 0.35 0.00 0.00 41.96 41.05 3hf9 s TYR 107 CO 0.08 -0.35 0.52 0.34 -1.34 0.00 0.00 175.55 174.80 3hf9 s ASP 108 N 0.61 6.18 0.27 4.32 2.15 -0.57 -4.80 116.67 124.84 3hf9 s ASP 108 Ca -0.15 -1.31 0.01 0.00 0.43 0.00 0.00 52.55 51.53 3hf9 s ASP 108 Cb -0.16 -2.23 0.38 0.00 -0.30 0.00 0.00 42.92 40.61 3hf9 s ASP 108 CO 0.05 -0.81 1.72 0.16 -0.17 0.00 0.00 175.17 176.11 3hf9 h ILE 109 N 5.83 1.26 0.00 4.11 3.07 -1.98 -2.15 117.51 127.65 3hf9 h ILE 109 Ca -0.29 -1.23 0.00 0.00 1.55 0.00 0.00 64.86 64.89 3hf9 h ILE 109 Cb 1.10 1.28 0.00 0.00 -0.27 0.00 0.00 36.82 38.93 3hf9 h ILE 109 CO 0.96 0.40 0.00 1.41 -1.05 0.00 0.00 178.15 179.87 3hf9 n HIS 110 N -4.13 0.00 -2.58 0.16 8.25 -1.26 -4.79 115.22 110.87 3hf9 n HIS 110 Ca -0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 3hf9 n HIS 110 Cb 0.39 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.46 3hf9 n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hf9 s ALA 111 N -2.00 3.35 0.12 -1.41 0.00 -0.81 -4.95 121.76 116.07 3hf9 s ALA 111 Ca 0.19 0.76 -0.21 0.00 0.00 0.00 0.00 51.96 52.70 3hf9 s ALA 111 Cb 0.09 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 3hf9 s ALA 111 CO 0.15 -0.11 1.70 0.66 0.00 0.00 0.00 175.76 178.16 3hf9 h SER 112 N 4.81 -0.25 -3.49 0.00 4.64 -1.89 -3.39 113.55 113.98 3hf9 h SER 112 Ca -0.45 0.06 -0.72 0.00 -0.47 0.00 0.00 61.79 60.22 3hf9 h SER 112 Cb 1.21 0.14 -0.23 0.00 -0.31 0.00 0.00 62.40 63.21 3hf9 h SER 112 CO 0.71 -0.10 -0.44 -0.62 -0.87 0.00 0.00 176.83 175.50 3hf9 s ASP 113 N -5.15 5.94 0.29 4.97 3.68 -1.26 -4.97 116.67 120.18 3hf9 s ASP 113 Ca -0.14 -1.08 0.24 0.00 2.13 0.00 0.00 52.55 53.70 3hf9 s ASP 113 Cb 0.10 -2.10 1.07 0.00 -1.45 0.00 0.00 42.92 40.54 3hf9 s ASP 113 CO 0.68 -0.47 1.72 -2.65 0.13 0.00 0.00 175.17 174.57 3hf9 n PRO 114 N 5.09 0.19 -0.07 4.34 -0.02 -1.26 -2.61 135.00 140.66 3hf9 n PRO 114 Ca -0.11 0.50 -0.13 0.00 -2.02 0.00 0.00 63.50 61.74 3hf9 n PRO 114 Cb 0.46 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 31.95 3hf9 n PRO 114 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3hf9 h GLN 115 N 0.00 0.44 -1.30 -0.52 1.08 -1.93 -3.29 115.11 109.58 3hf9 h GLN 115 Ca 0.00 -0.22 -0.65 0.00 -1.45 0.00 0.00 58.65 56.33 3hf9 h GLN 115 Cb 0.26 0.00 -0.35 0.00 -0.05 0.00 0.00 27.48 27.33 3hf9 h GLN 115 CO 0.00 0.78 0.08 -1.13 -0.95 0.00 0.00 178.83 177.61 3hf9 n SER 116 N -4.50 6.20 -0.18 1.46 3.41 -1.07 -0.19 113.62 118.75 3hf9 n SER 116 Ca -0.05 -3.77 0.12 0.00 -0.26 0.00 0.00 58.87 54.91 3hf9 n SER 116 Cb 0.37 -0.71 0.30 0.00 -0.26 0.00 0.00 64.21 63.91 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 -0.66 3.31 -1.76 7.33 0.00 -1.12 -4.90 120.51 122.71 3hf9 n ALA 117 Ca 0.50 -0.41 -0.39 0.00 0.00 0.00 0.00 53.44 53.14 3hf9 n ALA 117 Cb 0.64 -1.10 0.02 0.00 0.00 0.00 0.00 19.45 19.02 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 -2.66 2.89 0.00 0.00 0.00 -1.26 -1.51 107.32 104.77 3hf9 s GLY 118 Ca 0.20 1.30 0.02 0.00 0.00 0.00 0.00 44.72 46.24 3hf9 s GLY 118 CO 0.59 1.84 -0.07 0.50 0.00 0.00 0.00 173.10 175.97 3hf9 s ARG 119 N -2.70 0.51 -0.06 2.90 1.81 0.10 -4.90 118.95 116.61 3hf9 s ARG 119 Ca 0.67 -0.29 0.01 0.00 -1.72 0.00 0.00 55.73 54.40 3hf9 s ARG 119 Cb -0.39 -0.48 0.02 0.00 -0.45 0.00 0.00 34.95 33.65 3hf9 s ARG 119 CO 0.48 0.13 -0.09 0.42 -0.68 0.00 0.00 175.30 175.56 3hf9 s ILE 120 N -0.28 0.88 -0.07 1.52 1.01 -1.26 -1.60 121.20 121.39 3hf9 s ILE 120 Ca 0.01 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.37 3hf9 s ILE 120 Cb -0.03 -0.85 0.01 0.00 0.01 0.00 0.00 42.46 41.60 3hf9 s ILE 120 CO -0.00 0.31 -0.13 -0.69 0.00 0.00 0.00 174.94 174.43 3hf9 s VAL 121 N 0.92 1.22 0.37 2.92 1.01 0.16 -1.55 120.40 125.44 3hf9 s VAL 121 Ca -0.10 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.43 3hf9 s VAL 121 Cb -0.15 -1.11 -0.07 0.00 0.00 0.00 0.00 36.38 35.05 3hf9 s VAL 121 CO 0.01 0.38 -0.02 -0.94 0.00 0.00 0.00 175.10 174.52 3hf9 s SER 122 N 0.73 3.51 0.00 3.32 1.04 -0.50 0.33 113.70 122.13 3hf9 s SER 122 Ca -0.13 -1.30 0.07 0.00 0.48 0.00 0.00 55.95 55.07 3hf9 s SER 122 Cb -0.16 -0.32 -0.02 0.00 0.10 0.00 0.00 66.02 65.63 3hf9 s SER 122 CO 0.03 -0.39 -0.23 -0.36 0.98 0.00 0.00 173.24 173.27 3hf9 s PHE 123 N -2.80 2.03 0.80 5.02 0.40 -1.15 -1.32 117.98 120.96 3hf9 s PHE 123 Ca 0.34 -0.38 -0.07 0.00 -0.60 0.00 0.00 56.93 56.22 3hf9 s PHE 123 Cb 0.07 -1.28 0.14 0.00 0.51 0.00 0.00 43.02 42.46 3hf9 s PHE 123 CO 0.17 0.01 1.11 0.16 0.70 0.00 0.00 175.22 177.36 3hf9 s ASP 124 N -0.72 4.02 0.34 1.36 1.47 -0.76 -4.82 116.67 117.56 3hf9 s ASP 124 Ca 0.09 -0.01 0.13 0.00 1.18 0.00 0.00 52.55 53.94 3hf9 s ASP 124 Cb -0.09 -0.31 0.99 0.00 -0.34 0.00 0.00 42.92 43.17 3hf9 s ASP 124 CO -0.00 -2.10 1.72 0.00 0.68 0.00 0.00 175.17 175.46 3hf9 h ALA 125 N -0.91 1.93 -0.54 2.11 0.00 -2.01 -1.37 119.26 118.48 3hf9 h ALA 125 Ca -0.41 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3hf9 h ALA 125 Cb 1.26 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3hf9 h ALA 125 CO 0.43 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.24 3hf9 n ALA 126 N -2.34 2.98 -1.03 0.00 0.00 -1.26 -4.92 120.51 113.93 3hf9 n ALA 126 Ca 0.28 -1.29 -0.01 0.00 0.00 0.00 0.00 53.44 52.42 3hf9 n ALA 126 Cb 0.85 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 1.02 0.46 3.72 0.00 0.00 -0.51 -4.98 105.19 104.89 3hf9 n GLY 127 Ca 0.21 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.95 2.20 0.76 -0.02 0.00 -1.26 -4.61 107.32 101.43 3hf9 s GLY 128 Ca 0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 44.72 44.14 3hf9 s GLY 128 CO 0.00 0.52 1.10 0.66 0.00 0.00 0.00 173.10 175.38 3hf9 s TRP 129 N 0.64 3.06 -0.25 1.90 1.48 -1.26 -1.83 118.94 122.68 3hf9 s TRP 129 Ca 0.17 1.07 -0.12 0.00 -1.06 0.00 0.00 56.10 56.17 3hf9 s TRP 129 Cb -0.13 -3.12 0.09 0.00 -1.16 0.00 0.00 33.47 29.14 3hf9 s TRP 129 CO 0.05 -1.51 0.58 1.21 -4.06 0.00 0.00 176.95 173.22 3hf9 s ASN 130 N -4.15 -0.80 -0.07 -2.66 3.04 -0.44 -4.90 114.94 104.95 3hf9 s ASN 130 Ca 0.60 1.32 -0.20 0.00 0.04 0.00 0.00 52.86 54.62 3hf9 s ASN 130 Cb -0.13 1.49 -0.04 0.00 -1.54 0.00 0.00 41.25 41.03 3hf9 s ASN 130 CO 0.53 -0.22 0.57 -0.63 -3.04 0.00 0.00 177.10 174.31 3hf9 s ILE 131 N 2.06 5.08 -0.36 -5.21 1.01 -1.26 -1.41 121.20 121.11 3hf9 s ILE 131 Ca -0.08 1.17 -0.23 0.00 0.00 0.00 0.00 60.65 61.52 3hf9 s ILE 131 Cb -0.09 -3.91 0.01 0.00 0.01 0.00 0.00 42.46 38.48 3hf9 s ILE 131 CO -0.17 0.33 0.76 -1.61 0.00 0.00 0.00 174.94 174.24 3hf9 s GLU 132 N 0.48 3.76 0.00 2.79 0.41 -0.59 -4.89 118.70 120.66 3hf9 s GLU 132 Ca 0.31 0.29 0.16 0.00 -0.41 0.00 0.00 54.97 55.32 3hf9 s GLU 132 Cb -0.17 -3.80 0.12 0.00 -1.78 0.00 0.00 34.13 28.50 3hf9 s GLU 132 CO 0.14 -0.81 1.00 0.39 -0.49 0.00 0.00 175.26 175.49 3hf9 n GLU 133 N 6.33 1.28 0.00 1.61 1.02 -1.26 -4.33 120.64 125.29 3hf9 n GLU 133 Ca 0.02 -1.43 0.13 0.00 -0.02 0.00 0.00 57.16 55.87 3hf9 n GLU 133 Cb 0.48 -1.31 0.51 0.00 -0.02 0.00 0.00 31.44 31.10 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 0.86 0.16 0.00 3.49 1.02 -1.26 -4.95 120.64 119.95 3hf9 n GLU 134 Ca 0.09 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3hf9 n GLU 134 Cb 0.40 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 3hf9 n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hf9 n GLY 135 N 1.45 3.00 3.31 0.62 0.00 -1.26 -5.02 105.19 107.29 3hf9 n GLY 135 Ca 0.08 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.98 1.54 -0.04 1.61 1.13 -1.26 -0.79 117.35 116.55 3hf9 s TYR 136 Ca 0.00 -1.37 -0.29 0.00 -1.41 0.00 0.00 57.07 54.00 3hf9 s TYR 136 Cb 0.00 -0.81 0.11 0.00 -1.10 0.00 0.00 41.96 40.16 3hf9 s TYR 136 CO 0.00 -0.54 0.92 -1.14 -2.51 0.00 0.00 175.55 172.28 3hf9 s GLN 137 N -3.87 0.76 -0.04 -3.49 2.00 -0.62 -4.93 119.66 109.47 3hf9 s GLN 137 Ca 0.37 -0.20 -0.21 0.00 -2.00 0.00 0.00 55.36 53.32 3hf9 s GLN 137 Cb 0.05 0.35 0.04 0.00 0.80 0.00 0.00 33.01 34.26 3hf9 s GLN 137 CO 0.17 -0.32 0.46 0.00 -0.50 0.00 0.00 175.29 175.11 3hf9 s ALA 138 N -2.69 -1.19 0.11 1.58 0.00 -1.26 -1.84 121.76 116.47 3hf9 s ALA 138 Ca 0.04 0.79 0.03 0.00 0.00 0.00 0.00 51.96 52.81 3hf9 s ALA 138 Cb -0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 3hf9 s ALA 138 CO -0.07 -0.30 -0.08 0.14 0.00 0.00 0.00 175.76 175.46 3hf9 s VAL 139 N -1.14 0.85 0.00 0.00 -7.23 -0.47 -4.86 120.40 107.55 3hf9 s VAL 139 Ca -0.11 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 3hf9 s VAL 139 Cb -0.03 -1.71 0.00 0.00 0.56 0.00 0.00 36.38 35.20 3hf9 s VAL 139 CO 0.06 -0.82 0.00 0.61 -0.31 0.00 0.00 175.10 174.64 3hf9 n GLY 140 N -0.06 0.75 0.35 2.32 0.00 -1.26 -1.13 105.19 106.15 3hf9 n GLY 140 Ca -0.12 -2.13 0.03 0.00 0.00 0.00 0.00 46.02 43.81 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 0.75 -0.37 1.61 4.64 -1.96 -0.05 113.55 118.17 3hf9 h SER 141 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 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 0.52 0.00 0.61 -0.87 0.00 0.00 176.83 177.09 3hf9 n GLY 142 N -1.43 1.04 0.33 -0.77 0.00 -1.26 -4.44 105.19 98.65 3hf9 n GLY 142 Ca 0.09 -0.42 0.05 0.00 0.00 0.00 0.00 46.02 45.74 3hf9 n GLY 142 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hf9 h SER 143 N 2.20 0.55 -0.32 1.61 4.64 -1.22 -1.99 113.55 119.02 3hf9 h SER 143 Ca 0.00 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 3hf9 h SER 143 Cb 0.64 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3hf9 h SER 143 CO 0.04 0.38 0.02 -0.07 -0.87 0.00 0.00 176.83 176.34 3hf9 h LEU 144 N 0.64 0.53 -0.64 5.97 3.38 -1.80 -0.96 115.31 122.43 3hf9 h LEU 144 Ca 0.21 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 3hf9 h LEU 144 Cb 0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3hf9 h LEU 144 CO -0.05 0.69 -0.21 -0.26 0.09 0.00 0.00 178.44 178.70 3hf9 h PHE 145 N 0.35 0.97 0.09 1.13 0.04 -1.78 -2.17 116.94 115.57 3hf9 h PHE 145 Ca 0.09 -0.22 -0.00 0.00 2.80 0.00 0.00 57.97 60.64 3hf9 h PHE 145 Cb 0.40 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.32 3hf9 h PHE 145 CO 0.03 0.98 -0.04 0.00 -0.60 0.00 0.00 178.31 178.67 3hf9 h ALA 146 N 1.02 -0.12 -0.75 2.45 0.00 -1.25 -1.06 119.26 119.55 3hf9 h ALA 146 Ca 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hf9 h ALA 146 Cb 0.74 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3hf9 h ALA 146 CO 0.06 -0.47 0.42 0.87 0.00 0.00 0.00 179.25 180.13 3hf9 h LYS 147 N -0.32 1.04 -0.05 0.00 1.57 -1.13 -0.12 116.57 117.56 3hf9 h LYS 147 Ca -0.01 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.53 3hf9 h LYS 147 Cb 0.27 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3hf9 h LYS 147 CO 0.02 0.76 -0.54 0.77 -0.57 0.00 0.00 179.45 179.89 3hf9 h SER 148 N 1.05 0.15 -0.01 0.86 0.02 -1.30 -0.80 113.55 113.52 3hf9 h SER 148 Ca 0.27 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3hf9 h SER 148 Cb 0.02 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 3hf9 h SER 148 CO -0.04 0.66 -0.01 -1.28 -1.14 0.00 0.00 176.83 175.02 3hf9 h SER 149 N 0.11 0.03 -0.94 3.07 0.87 -0.60 -3.13 113.55 112.97 3hf9 h SER 149 Ca -0.00 -0.44 0.12 0.00 -1.23 0.00 0.00 61.79 60.24 3hf9 h SER 149 Cb 0.98 -0.01 -0.08 0.00 -0.44 0.00 0.00 62.40 62.86 3hf9 h SER 149 CO 0.08 0.47 0.60 0.24 -0.53 0.00 0.00 176.83 177.69 3hf9 h MET 150 N -0.41 0.84 -0.97 2.24 2.07 -0.92 -1.23 114.93 116.56 3hf9 h MET 150 Ca 0.00 -0.05 0.22 0.00 -2.07 0.00 0.00 59.70 57.81 3hf9 h MET 150 Cb 0.46 -0.19 -0.12 0.00 -1.87 0.00 0.00 31.60 29.88 3hf9 h MET 150 CO 0.00 0.56 0.55 -0.22 1.07 0.00 0.00 176.91 178.87 3hf9 h LYS 151 N 0.87 0.57 0.03 1.72 3.64 -1.08 0.86 116.57 123.17 3hf9 h LYS 151 Ca 0.46 -0.03 -0.27 0.00 -1.27 0.00 0.00 60.65 59.53 3hf9 h LYS 151 Cb 0.55 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 3hf9 h LYS 151 CO -0.22 0.37 -1.46 0.87 -2.27 0.00 0.00 179.45 176.74 3hf9 h LYS 152 N 0.58 0.07 -0.00 1.90 1.79 -1.28 -3.38 116.57 116.25 3hf9 h LYS 152 Ca 0.61 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.96 3hf9 h LYS 152 Cb 1.10 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 3hf9 h LYS 152 CO -0.46 0.82 -0.73 1.28 -1.08 0.00 0.00 179.45 179.28 3hf9 n LEU 153 N -3.25 0.83 -0.08 2.94 4.77 -0.75 -4.49 117.00 116.97 3hf9 n LEU 153 Ca -0.12 -0.28 -0.05 0.00 -0.03 0.00 0.00 56.01 55.52 3hf9 n LEU 153 Cb 1.01 -0.11 0.15 0.00 -2.33 0.00 0.00 43.42 42.14 3hf9 n LEU 153 CO 0.47 0.20 0.80 0.22 -1.33 0.00 0.00 177.39 177.74 3hf9 h TYR 154 N 0.15 0.79 -1.31 -1.77 3.20 -1.02 -1.97 116.97 115.04 3hf9 h TYR 154 Ca 0.00 -0.14 0.40 0.00 3.14 0.00 0.00 58.73 62.12 3hf9 h TYR 154 Cb 0.51 -0.20 -0.10 0.00 1.54 0.00 0.00 36.73 38.48 3hf9 h TYR 154 CO 0.00 0.81 0.88 0.66 -1.64 0.00 0.00 178.16 178.87 3hf9 h SER 155 N 0.66 0.22 0.00 -2.11 4.64 -1.84 0.32 113.55 115.44 3hf9 h SER 155 Ca 0.11 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3hf9 h SER 155 Cb 0.58 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3hf9 h SER 155 CO 0.04 -0.06 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 3hf9 n GLN 156 N -4.49 0.94 -3.24 4.77 6.02 -0.74 -4.81 117.38 115.83 3hf9 n GLN 156 Ca 0.33 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.92 3hf9 n GLN 156 Cb 1.34 -1.30 -0.08 0.00 1.02 0.00 0.00 30.24 31.23 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 -2.00 5.05 0.00 5.09 1.01 0.10 -4.83 120.40 124.82 3hf9 s VAL 157 Ca 0.27 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.95 3hf9 s VAL 157 Cb 0.12 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3hf9 s VAL 157 CO 0.21 -0.02 0.00 0.35 0.00 0.00 0.00 175.10 175.64 3hf9 n THR 158 N 5.26 0.00 -4.04 3.92 -2.24 -1.26 -4.86 114.28 111.06 3hf9 n THR 158 Ca -0.04 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.67 3hf9 n THR 158 Cb 0.49 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.41 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 -1.19 -0.30 0.23 3.42 5.75 -1.26 -4.48 116.55 118.71 3hf9 n ASP 159 Ca 0.00 -1.78 0.10 0.00 -0.01 0.00 0.00 54.79 53.10 3hf9 n ASP 159 Cb 0.19 0.67 0.54 0.00 -1.03 0.00 0.00 41.12 41.49 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 0.74 0.00 0.65 6.12 0.00 -1.96 -2.19 103.07 106.42 3hf9 h GLY 160 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.10 3hf9 h GLY 160 CO 0.13 0.00 -0.59 -1.80 0.00 0.00 0.00 176.54 174.27 3hf9 h ASP 161 N 0.00 0.43 -0.42 0.19 -0.00 -1.99 -2.28 116.42 112.34 3hf9 h ASP 161 Ca -0.00 -0.86 -0.12 0.00 -0.00 0.00 0.00 57.03 56.05 3hf9 h ASP 161 Cb 0.60 -0.13 -0.01 0.00 -0.00 0.00 0.00 39.33 39.79 3hf9 h ASP 161 CO 0.03 1.24 -0.19 0.77 -0.00 0.00 0.00 179.24 181.09 3hf9 h SER 162 N -0.33 0.93 -0.88 2.28 4.64 -1.90 -1.93 113.55 116.36 3hf9 h SER 162 Ca -0.09 -0.33 0.15 0.00 -0.47 0.00 0.00 61.79 61.04 3hf9 h SER 162 Cb 1.38 -0.25 -0.09 0.00 -0.31 0.00 0.00 62.40 63.12 3hf9 h SER 162 CO 0.11 1.09 0.48 1.23 -0.87 0.00 0.00 176.83 178.87 3hf9 h GLY 163 N 0.93 1.45 1.11 -0.77 0.00 -1.43 0.19 103.07 104.54 3hf9 h GLY 163 Ca 0.11 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 3hf9 h GLY 163 CO 0.06 -0.01 -0.03 -2.00 0.00 0.00 0.00 176.54 174.56 3hf9 h LEU 164 N 0.68 1.04 -0.02 3.11 6.46 -0.95 -1.20 115.31 124.43 3hf9 h LEU 164 Ca 0.48 -0.31 -0.00 0.00 -0.12 0.00 0.00 57.88 57.92 3hf9 h LEU 164 Cb 0.65 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.30 3hf9 h LEU 164 CO -0.35 1.10 -0.00 -0.09 -0.62 0.00 0.00 178.44 178.48 3hf9 h ARG 165 N 0.95 0.04 -0.36 1.25 2.43 -0.38 -1.51 114.38 116.81 3hf9 h ARG 165 Ca 0.16 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.39 3hf9 h ARG 165 Cb 0.59 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.07 3hf9 h ARG 165 CO 0.04 0.35 -0.08 0.28 -1.51 0.00 0.00 179.97 179.05 3hf9 h VAL 166 N -0.27 0.65 -0.72 0.20 2.07 -0.99 0.34 116.25 117.53 3hf9 h VAL 166 Ca 0.01 -0.01 0.14 0.00 0.82 0.00 0.00 66.70 67.66 3hf9 h VAL 166 Cb 0.33 0.64 -0.09 0.00 -1.52 0.00 0.00 31.29 30.64 3hf9 h VAL 166 CO 0.00 0.00 0.26 0.00 0.02 0.00 0.00 177.57 177.86 3hf9 h ALA 167 N 1.35 0.99 -0.19 1.67 0.00 -1.14 0.11 119.26 122.05 3hf9 h ALA 167 Ca 0.17 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 3hf9 h ALA 167 Cb 0.26 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3hf9 h ALA 167 CO -0.36 -0.23 -0.48 0.28 0.00 0.00 0.00 179.25 178.46 3hf9 h VAL 168 N 0.40 1.32 -0.27 0.00 2.07 -0.23 -2.20 116.25 117.34 3hf9 h VAL 168 Ca 0.39 -1.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.19 3hf9 h VAL 168 Cb 0.59 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 3hf9 h VAL 168 CO -0.40 0.53 0.05 -0.08 0.02 0.00 0.00 177.57 177.68 3hf9 h GLU 169 N 0.40 0.44 -0.63 1.57 4.81 0.21 -1.13 114.58 120.25 3hf9 h GLU 169 Ca 0.02 -0.12 0.09 0.00 -0.13 0.00 0.00 59.36 59.22 3hf9 h GLU 169 Cb 0.99 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.25 3hf9 h GLU 169 CO 0.09 0.56 0.27 0.00 -0.73 0.00 0.00 179.01 179.20 3hf9 h ALA 170 N 0.87 0.83 0.00 2.92 0.00 -0.72 0.31 119.26 123.47 3hf9 h ALA 170 Ca 0.08 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3hf9 h ALA 170 Cb 0.33 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3hf9 h ALA 170 CO 0.00 -0.14 -0.17 -0.07 0.00 0.00 0.00 179.25 178.88 3hf9 h LEU 171 N 0.48 0.00 -0.11 0.00 3.38 -1.26 -0.07 115.31 117.74 3hf9 h LEU 171 Ca 0.31 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.13 3hf9 h LEU 171 Cb 0.35 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.10 3hf9 h LEU 171 CO -0.28 0.17 -0.51 0.22 0.09 0.00 0.00 178.44 178.13 3hf9 h TYR 172 N 0.00 0.72 -0.24 1.13 3.20 0.60 -2.36 116.97 120.01 3hf9 h TYR 172 Ca -0.00 -0.32 -0.08 0.00 3.14 0.00 0.00 58.73 61.47 3hf9 h TYR 172 Cb 0.48 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 3hf9 h TYR 172 CO 0.00 1.10 -0.20 -0.44 -1.64 0.00 0.00 178.16 176.97 3hf9 h ASP 173 N 0.14 0.43 -0.37 -2.11 3.32 -0.10 -1.16 116.42 116.57 3hf9 h ASP 173 Ca -0.03 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.83 3hf9 h ASP 173 Cb 1.15 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 3hf9 h ASP 173 CO 0.11 0.65 0.01 0.00 -1.72 0.00 0.00 179.24 178.29 3hf9 h ALA 174 N 1.39 0.49 0.00 3.45 0.00 -1.00 -2.78 119.26 120.82 3hf9 h ALA 174 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3hf9 h ALA 174 Cb 0.58 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3hf9 h ALA 174 CO 0.04 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.54 3hf9 h ALA 175 N 0.88 1.00 0.03 0.00 0.00 -0.91 -1.28 119.26 118.97 3hf9 h ALA 175 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.80 3hf9 h ALA 175 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3hf9 h ALA 175 CO 0.02 0.00 -0.97 0.22 0.00 0.00 0.00 179.25 178.52 3hf9 h ASP 176 N 0.00 0.31 -0.00 0.00 3.58 -0.94 -3.34 116.42 116.03 3hf9 h ASP 176 Ca 0.00 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.18 3hf9 h ASP 176 Cb 0.47 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.42 3hf9 h ASP 176 CO 0.00 1.11 -0.36 0.47 -2.88 0.00 0.00 179.24 177.58 3hf9 n ASP 177 N -3.63 0.70 -4.03 2.28 8.00 -1.13 -4.95 116.55 113.79 3hf9 n ASP 177 Ca -0.05 -0.85 -0.25 0.00 0.71 0.00 0.00 54.79 54.35 3hf9 n ASP 177 Cb 0.86 0.82 -0.17 0.00 -0.02 0.00 0.00 41.12 42.61 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 -1.70 1.92 0.06 -2.24 2.15 -0.50 -5.03 116.67 111.34 3hf9 s ASP 178 Ca 0.05 -0.32 0.26 0.00 0.43 0.00 0.00 52.55 52.97 3hf9 s ASP 178 Cb 0.07 -0.88 0.67 0.00 -0.30 0.00 0.00 42.92 42.48 3hf9 s ASP 178 CO 0.34 0.03 1.56 -1.54 -0.17 0.00 0.00 175.17 175.39 3hf9 n SER 179 N 3.87 0.49 0.00 -0.34 3.41 -1.26 -3.33 113.62 116.45 3hf9 n SER 179 Ca -0.22 0.15 0.12 0.00 -0.26 0.00 0.00 58.87 58.67 3hf9 n SER 179 Cb 0.52 -0.10 0.32 0.00 -0.26 0.00 0.00 64.21 64.69 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 -1.64 3.29 -2.81 7.33 0.00 -1.26 -4.77 120.51 120.66 3hf9 n ALA 180 Ca 0.05 -0.30 -0.35 0.00 0.00 0.00 0.00 53.44 52.85 3hf9 n ALA 180 Cb 0.38 -1.19 -0.09 0.00 0.00 0.00 0.00 19.45 18.55 3hf9 n ALA 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hf9 s THR 181 N -3.01 4.88 0.01 0.00 2.01 -1.21 -4.67 115.64 113.65 3hf9 s THR 181 Ca 0.11 -0.01 -0.15 0.00 0.31 0.00 0.00 61.69 61.96 3hf9 s THR 181 Cb 0.18 -3.19 -0.06 0.00 0.01 0.00 0.00 72.50 69.44 3hf9 s THR 181 CO 0.67 0.48 0.43 -0.83 -0.69 0.00 0.00 174.62 174.67 3hf9 s GLY 182 N 0.19 2.50 0.57 4.40 0.00 -1.26 -4.51 107.32 109.21 3hf9 s GLY 182 Ca 0.05 -0.19 -0.05 0.00 0.00 0.00 0.00 44.72 44.54 3hf9 s GLY 182 CO 0.00 0.20 0.77 0.61 0.00 0.00 0.00 173.10 174.68 3hf9 n GLY 183 N 1.85 -0.13 3.65 0.20 0.00 -1.26 -4.52 105.19 104.98 3hf9 n GLY 183 Ca -0.13 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 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 -4.54 4.08 -0.58 1.61 0.02 -1.26 -4.90 135.00 129.43 3hf9 s PRO 184 Ca 0.48 1.97 -0.23 0.00 0.02 0.00 0.00 61.00 63.24 3hf9 s PRO 184 Cb -0.02 -3.97 0.05 0.00 0.02 0.00 0.00 34.50 30.58 3hf9 s PRO 184 CO 0.32 -0.95 0.90 0.34 -0.33 0.00 0.00 177.00 177.28 3hf9 s ASP 185 N 3.42 6.27 0.19 2.53 3.68 -0.77 -4.89 116.67 127.10 3hf9 s ASP 185 Ca 0.70 -0.63 0.09 0.00 2.13 0.00 0.00 52.55 54.84 3hf9 s ASP 185 Cb -0.29 -2.41 -0.01 0.00 -1.45 0.00 0.00 42.92 38.76 3hf9 s ASP 185 CO 0.27 -1.24 1.40 -0.07 0.13 0.00 0.00 175.17 175.66 3hf9 h LEU 186 N 10.89 0.00 -0.52 -1.34 3.38 -1.93 0.20 115.31 125.99 3hf9 h LEU 186 Ca -0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 3hf9 h LEU 186 Cb 1.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3hf9 h LEU 186 CO 1.10 0.82 0.25 0.58 0.09 0.00 0.00 178.44 181.28 3hf9 h VAL 187 N 0.00 1.19 0.00 1.22 2.07 -1.98 -3.12 116.25 115.64 3hf9 h VAL 187 Ca -0.01 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3hf9 h VAL 187 Cb 1.53 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3hf9 h VAL 187 CO 0.11 0.22 -0.81 0.54 0.02 0.00 0.00 177.57 177.65 3hf9 n ARG 188 N -4.59 0.01 -3.07 1.57 1.74 -1.23 -5.00 116.66 106.08 3hf9 n ARG 188 Ca 0.02 -0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.97 3hf9 n ARG 188 Cb 0.12 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.11 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 1.50 -0.12 3.20 -0.13 0.00 -0.01 -5.04 105.19 104.60 3hf9 n GLY 189 Ca 0.05 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 2.11 0.28 -0.61 1.01 -0.79 -5.02 121.20 114.93 3hf9 s ILE 190 Ca 0.11 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.81 3hf9 s ILE 190 Cb -0.05 -1.83 -0.06 0.00 0.01 0.00 0.00 42.46 40.54 3hf9 s ILE 190 CO 0.51 0.55 0.03 -0.36 0.00 0.00 0.00 174.94 175.67 3hf9 s PHE 191 N 0.60 1.75 0.71 3.97 0.40 -1.26 -1.85 117.98 122.30 3hf9 s PHE 191 Ca -0.12 -0.95 -0.16 0.00 -0.60 0.00 0.00 56.93 55.09 3hf9 s PHE 191 Cb -0.17 -1.07 0.02 0.00 0.51 0.00 0.00 43.02 42.31 3hf9 s PHE 191 CO 0.03 -0.03 1.19 -2.30 0.70 0.00 0.00 175.22 174.81 3hf9 n PRO 192 N -0.55 0.72 -3.55 0.24 -0.02 -1.26 -4.80 135.00 125.79 3hf9 n PRO 192 Ca -0.03 0.31 -0.32 0.00 -2.02 0.00 0.00 63.50 61.43 3hf9 n PRO 192 Cb 0.65 -2.43 -0.05 0.00 -0.02 0.00 0.00 33.50 31.65 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 -1.68 5.05 0.17 3.45 -4.23 -0.79 -4.91 115.64 112.71 3hf9 s THR 193 Ca 0.78 0.30 -0.03 0.00 -1.18 0.00 0.00 61.69 61.56 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 0.45 0.05 0.16 0.00 -0.54 0.00 0.00 174.62 174.75 3hf9 s ALA 194 N -1.66 0.73 -0.02 3.99 0.00 -1.26 -1.41 121.76 122.13 3hf9 s ALA 194 Ca 0.42 -1.40 -0.09 0.00 0.00 0.00 0.00 51.96 50.88 3hf9 s ALA 194 Cb -0.12 1.09 0.01 0.00 0.00 0.00 0.00 23.12 24.09 3hf9 s ALA 194 CO 0.22 -0.59 0.20 0.08 0.00 0.00 0.00 175.76 175.67 3hf9 s VAL 195 N -4.07 0.06 -0.01 0.00 1.01 -0.15 -1.77 120.40 115.47 3hf9 s VAL 195 Ca 0.28 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.80 3hf9 s VAL 195 Cb 0.06 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 3hf9 s VAL 195 CO 0.06 -0.28 -0.15 -0.63 0.00 0.00 0.00 175.10 174.10 3hf9 s ILE 196 N -1.10 1.19 -0.08 2.22 1.01 -0.33 -1.38 121.20 122.74 3hf9 s ILE 196 Ca -0.12 -0.64 0.04 0.00 0.00 0.00 0.00 60.65 59.93 3hf9 s ILE 196 Cb -0.06 -1.00 -0.00 0.00 0.01 0.00 0.00 42.46 41.41 3hf9 s ILE 196 CO 0.02 0.34 -0.21 -0.63 0.00 0.00 0.00 174.94 174.46 3hf9 s ILE 197 N -0.33 1.81 0.28 2.92 1.01 0.21 -0.92 121.20 126.19 3hf9 s ILE 197 Ca 0.05 -0.90 -0.00 0.00 0.00 0.00 0.00 60.65 59.80 3hf9 s ILE 197 Cb -0.06 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.84 3hf9 s ILE 197 CO -0.00 0.51 0.37 -0.90 0.00 0.00 0.00 174.94 174.91 3hf9 n ASP 198 N 3.37 -1.02 -0.14 3.58 5.68 -0.68 -1.46 116.55 125.88 3hf9 n ASP 198 Ca -0.19 -2.58 0.04 0.00 -0.50 0.00 0.00 54.79 51.56 3hf9 n ASP 198 Cb 0.53 1.95 0.34 0.00 -1.14 0.00 0.00 41.12 42.80 3hf9 n ASP 198 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hf9 h ALA 199 N 1.91 1.64 -0.87 2.12 0.00 -1.93 -1.31 119.26 120.81 3hf9 h ALA 199 Ca -0.22 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3hf9 h ALA 199 Cb 0.97 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3hf9 h ALA 199 CO 0.30 0.30 0.45 -0.44 0.00 0.00 0.00 179.25 179.85 3hf9 h ASP 200 N 0.77 1.11 -1.73 0.00 3.32 -1.96 -3.49 116.42 114.45 3hf9 h ASP 200 Ca 0.25 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3hf9 h ASP 200 Cb 0.06 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.32 3hf9 h ASP 200 CO -0.07 0.91 0.00 0.61 -1.72 0.00 0.00 179.24 178.97 3hf9 n GLY 201 N -1.08 -0.36 3.51 2.75 0.00 -0.50 -5.09 105.19 104.42 3hf9 n GLY 201 Ca 0.09 -1.53 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 3hf9 n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hf9 s ALA 202 N -1.00 3.22 0.03 4.61 0.00 0.32 -1.69 121.76 127.25 3hf9 s ALA 202 Ca 0.00 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 51.00 3hf9 s ALA 202 Cb 0.00 -2.01 -0.02 0.00 0.00 0.00 0.00 23.12 21.10 3hf9 s ALA 202 CO 0.00 -0.25 -0.12 0.08 0.00 0.00 0.00 175.76 175.47 3hf9 s VAL 203 N 1.18 0.90 0.15 0.00 1.01 -0.10 -4.97 120.40 118.58 3hf9 s VAL 203 Ca 0.04 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 3hf9 s VAL 203 Cb -0.14 -0.82 -0.08 0.00 0.00 0.00 0.00 36.38 35.34 3hf9 s VAL 203 CO 0.03 0.00 1.21 -1.81 0.00 0.00 0.00 175.10 174.54 3hf9 s ASP 204 N -0.92 7.07 0.02 3.32 1.01 -1.26 -1.18 116.67 124.72 3hf9 s ASP 204 Ca 0.00 2.19 -0.29 0.00 0.71 0.00 0.00 52.55 55.17 3hf9 s ASP 204 Cb -0.07 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 3hf9 s ASP 204 CO 0.01 -0.41 0.92 -0.69 0.21 0.00 0.00 175.17 175.21 3hf9 s VAL 205 N 0.26 4.81 0.44 -1.27 1.01 -0.73 -4.91 120.40 120.00 3hf9 s VAL 205 Ca 0.55 1.95 -0.25 0.00 0.00 0.00 0.00 61.98 64.23 3hf9 s VAL 205 Cb -0.32 -4.27 -0.08 0.00 0.00 0.00 0.00 36.38 31.71 3hf9 s VAL 205 CO 0.35 0.22 1.25 -2.84 0.00 0.00 0.00 175.10 174.08 3hf9 s PRO 206 N 0.69 3.82 0.40 2.72 0.02 -1.26 -4.52 135.00 136.87 3hf9 s PRO 206 Ca 0.48 2.01 0.11 0.00 0.02 0.00 0.00 61.00 63.61 3hf9 s PRO 206 Cb -0.21 -2.59 0.92 0.00 0.02 0.00 0.00 34.50 32.64 3hf9 s PRO 206 CO 0.27 -0.56 1.97 1.49 -0.33 0.00 0.00 177.00 179.83 3hf9 h GLU 207 N 2.35 0.53 -0.63 5.54 4.81 -1.95 -1.84 114.58 123.40 3hf9 h GLU 207 Ca -0.50 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3hf9 h GLU 207 Cb 1.25 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 3hf9 h GLU 207 CO 0.61 0.35 0.39 0.77 -0.73 0.00 0.00 179.01 180.41 3hf9 h SER 208 N 0.55 0.75 -0.55 1.04 0.02 -1.99 -1.08 113.55 112.28 3hf9 h SER 208 Ca 0.30 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.17 3hf9 h SER 208 Cb 0.45 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 3hf9 h SER 208 CO -0.10 0.57 0.20 -0.09 -1.14 0.00 0.00 176.83 176.28 3hf9 h ARG 209 N 0.86 0.84 -0.49 3.45 9.65 -1.71 -1.84 114.38 125.13 3hf9 h ARG 209 Ca 0.23 -0.16 -0.09 0.00 -1.10 0.00 0.00 59.98 58.86 3hf9 h ARG 209 Cb -0.05 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.39 3hf9 h ARG 209 CO -0.04 0.74 -0.03 0.82 2.80 0.00 0.00 179.97 184.25 3hf9 h ILE 210 N 0.76 1.27 -0.60 1.20 2.04 -1.41 -2.86 117.51 117.90 3hf9 h ILE 210 Ca 0.18 -1.13 -0.04 0.00 1.00 0.00 0.00 64.86 64.87 3hf9 h ILE 210 Cb 0.23 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 3hf9 h ILE 210 CO -0.01 0.39 0.22 0.00 0.00 0.00 0.00 178.15 178.75 3hf9 h ALA 211 N 0.92 1.25 -0.49 1.87 0.00 -1.08 -1.20 119.26 120.52 3hf9 h ALA 211 Ca 0.13 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hf9 h ALA 211 Cb 0.56 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3hf9 h ALA 211 CO 0.03 0.54 0.30 1.49 0.00 0.00 0.00 179.25 181.61 3hf9 h GLU 212 N 0.87 0.67 -0.44 0.00 4.81 -1.18 -1.46 114.58 117.86 3hf9 h GLU 212 Ca 0.20 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.28 3hf9 h GLU 212 Cb 0.21 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3hf9 h GLU 212 CO -0.01 0.49 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.62 3hf9 h LEU 213 N 0.66 0.81 -0.56 1.64 3.38 -1.21 -2.83 115.31 117.19 3hf9 h LEU 213 Ca 0.18 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3hf9 h LEU 213 Cb -0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3hf9 h LEU 213 CO -0.03 0.96 0.23 0.00 0.09 0.00 0.00 178.44 179.69 3hf9 h ALA 214 N 0.88 0.73 -0.59 1.53 0.00 -1.02 -1.69 119.26 119.10 3hf9 h ALA 214 Ca 0.12 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3hf9 h ALA 214 Cb 0.59 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3hf9 h ALA 214 CO 0.04 0.33 0.11 0.00 0.00 0.00 0.00 179.25 179.73 3hf9 h ARG 215 N 0.77 0.94 -0.72 0.00 3.08 -1.30 -1.47 114.38 115.68 3hf9 h ARG 215 Ca 0.19 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3hf9 h ARG 215 Cb 0.19 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3hf9 h ARG 215 CO -0.02 0.86 0.35 0.00 -1.07 0.00 0.00 179.97 180.09 3hf9 h ALA 216 N 1.22 0.92 -0.43 0.04 0.00 -1.21 0.89 119.26 120.69 3hf9 h ALA 216 Ca 0.18 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3hf9 h ALA 216 Cb 0.37 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3hf9 h ALA 216 CO 0.01 0.48 0.11 0.82 0.00 0.00 0.00 179.25 180.67 3hf9 h ILE 217 N 1.00 1.23 -0.59 0.00 2.04 -0.86 0.33 117.51 120.66 3hf9 h ILE 217 Ca 0.25 -0.80 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 3hf9 h ILE 217 Cb 0.11 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3hf9 h ILE 217 CO -0.03 0.28 0.18 0.40 0.00 0.00 0.00 178.15 178.98 3hf9 h ILE 218 N 0.56 1.24 -0.63 -0.67 2.04 -1.04 -2.26 117.51 116.75 3hf9 h ILE 218 Ca 0.13 -0.82 -0.05 0.00 1.00 0.00 0.00 64.86 65.13 3hf9 h ILE 218 Cb 0.31 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 3hf9 h ILE 218 CO 0.00 0.31 0.21 -0.33 0.00 0.00 0.00 178.15 178.34 3hf9 h GLU 219 N 0.83 0.95 -0.79 2.37 5.08 -0.65 -1.15 114.58 121.23 3hf9 h GLU 219 Ca 0.19 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3hf9 h GLU 219 Cb 0.28 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 3hf9 h GLU 219 CO -0.01 0.80 0.36 1.03 -1.00 0.00 0.00 179.01 180.20 3hf9 h SER 220 N 0.92 1.04 0.98 1.42 0.87 -0.38 -2.91 113.55 115.50 3hf9 h SER 220 Ca 0.21 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3hf9 h SER 220 Cb 0.24 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 3hf9 h SER 220 CO -0.01 0.90 -0.58 0.03 -0.53 0.00 0.00 176.83 176.64 3hf9 h ARG 221 N 1.12 0.00 0.00 2.24 3.08 -1.19 -3.51 114.38 116.12 3hf9 h ARG 221 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3hf9 h ARG 221 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3hf9 h ARG 221 CO -0.03 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.30