#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hf9 s ILE 3 N 0.00 2.95 0.03 12.58 -1.09 -0.40 -2.57 121.20 132.70 3hf9 s ILE 3 Ca 0.00 -1.03 0.04 0.00 -2.23 0.00 0.00 60.65 57.43 3hf9 s ILE 3 Cb 0.00 -2.22 -0.02 0.00 -1.58 0.00 0.00 42.46 38.64 3hf9 s ILE 3 CO 0.00 0.40 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.31 3hf9 s VAL 4 N -0.89 0.91 -0.09 2.92 1.01 0.55 -1.51 120.40 123.30 3hf9 s VAL 4 Ca 0.14 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 3hf9 s VAL 4 Cb -0.11 -0.83 0.02 0.00 0.00 0.00 0.00 36.38 35.47 3hf9 s VAL 4 CO 0.04 -0.02 0.25 0.00 0.00 0.00 0.00 175.10 175.37 3hf9 s ALA 5 N -0.78 -0.61 -0.02 5.51 0.00 -0.62 -0.30 121.76 124.94 3hf9 s ALA 5 Ca 0.00 0.70 -0.12 0.00 0.00 0.00 0.00 51.96 52.55 3hf9 s ALA 5 Cb -0.07 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.66 3hf9 s ALA 5 CO 0.01 -0.12 0.25 -0.48 0.00 0.00 0.00 175.76 175.42 3hf9 s LEU 6 N 0.17 1.08 0.07 0.00 0.05 -0.33 -1.33 118.68 118.39 3hf9 s LEU 6 Ca -0.00 0.07 -0.25 0.00 0.05 0.00 0.00 54.13 54.00 3hf9 s LEU 6 Cb -0.02 1.04 -0.06 0.00 -2.05 0.00 0.00 46.19 45.10 3hf9 s LEU 6 CO 0.00 -0.37 0.77 -0.54 -0.55 0.00 0.00 176.35 175.66 3hf9 s LYS 7 N -1.11 4.51 0.42 1.48 1.02 0.18 -0.95 119.74 125.29 3hf9 s LYS 7 Ca -0.12 1.08 0.04 0.00 0.02 0.00 0.00 55.97 57.00 3hf9 s LYS 7 Cb -0.05 -3.34 -0.05 0.00 -0.52 0.00 0.00 37.83 33.86 3hf9 s LYS 7 CO 0.03 0.34 0.03 1.52 -0.92 0.00 0.00 175.35 176.35 3hf9 s TYR 8 N -0.28 2.16 -0.32 3.18 -0.85 -0.77 -4.94 117.35 115.53 3hf9 s TYR 8 Ca 0.38 -0.87 -0.28 0.00 -0.52 0.00 0.00 57.07 55.78 3hf9 s TYR 8 Cb -0.21 -1.58 -0.02 0.00 0.38 0.00 0.00 41.96 40.53 3hf9 s TYR 8 CO 0.24 0.23 1.75 -2.14 -1.52 0.00 0.00 175.55 174.11 3hf9 s PRO 9 N -3.79 3.41 0.00 -3.49 0.02 -1.26 -2.28 135.00 127.61 3hf9 s PRO 9 Ca 0.25 1.42 0.00 0.00 0.02 0.00 0.00 61.00 62.69 3hf9 s PRO 9 Cb 0.07 -4.17 0.00 0.00 0.02 0.00 0.00 34.50 30.42 3hf9 s PRO 9 CO 0.13 -1.77 0.00 0.41 -0.33 0.00 0.00 177.00 175.44 3hf9 n GLY 10 N 5.32 0.53 0.00 0.52 0.00 0.82 -4.72 105.19 107.66 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 -1.43 1.36 3.13 -0.02 0.00 -0.97 -3.97 105.19 103.30 3hf9 n GLY 11 Ca 0.00 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.38 0.71 0.07 1.61 -7.23 -0.74 -1.84 120.40 110.59 3hf9 s VAL 12 Ca 0.00 -1.52 0.08 0.00 -1.81 0.00 0.00 61.98 58.74 3hf9 s VAL 12 Cb 0.00 -1.17 -0.03 0.00 0.56 0.00 0.00 36.38 35.74 3hf9 s VAL 12 CO 0.00 -0.59 -0.22 0.54 -0.31 0.00 0.00 175.10 174.53 3hf9 s VAL 13 N -2.39 1.77 -0.01 1.32 0.11 -0.12 -0.61 120.40 120.46 3hf9 s VAL 13 Ca 0.01 -1.36 0.01 0.00 -2.93 0.00 0.00 61.98 57.71 3hf9 s VAL 13 Cb -0.03 -1.56 0.01 0.00 -1.53 0.00 0.00 36.38 33.26 3hf9 s VAL 13 CO -0.01 0.13 -0.03 -0.32 -3.33 0.00 0.00 175.10 171.54 3hf9 s MET 14 N -1.47 0.34 0.02 1.54 1.75 -0.51 -1.19 119.30 119.79 3hf9 s MET 14 Ca 0.08 -0.08 -0.03 0.00 -1.25 0.00 0.00 55.69 54.40 3hf9 s MET 14 Cb -0.09 -0.38 -0.01 0.00 2.84 0.00 0.00 34.83 37.18 3hf9 s MET 14 CO 0.03 0.02 0.05 0.00 -0.65 0.00 0.00 175.02 174.46 3hf9 s ALA 15 N 0.25 -0.04 -0.10 4.11 0.00 0.59 -0.88 121.76 125.69 3hf9 s ALA 15 Ca -0.02 -0.47 -0.10 0.00 0.00 0.00 0.00 51.96 51.36 3hf9 s ALA 15 Cb -0.05 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.26 3hf9 s ALA 15 CO -0.00 -0.21 0.29 0.20 0.00 0.00 0.00 175.76 176.03 3hf9 s GLY 16 N -1.63 -0.21 1.35 0.00 0.00 -0.43 -0.33 107.32 106.08 3hf9 s GLY 16 Ca -0.12 0.76 -0.21 0.00 0.00 0.00 0.00 44.72 45.14 3hf9 s GLY 16 CO -0.01 0.63 0.98 0.51 0.00 0.00 0.00 173.10 175.21 3hf9 s ASP 17 N -0.01 -0.48 0.00 1.64 3.84 -1.06 -2.04 116.67 118.56 3hf9 s ASP 17 Ca -0.02 0.87 0.04 0.00 -0.00 0.00 0.00 52.55 53.44 3hf9 s ASP 17 Cb -0.02 -1.25 0.04 0.00 -1.38 0.00 0.00 42.92 40.31 3hf9 s ASP 17 CO 0.01 -5.01 0.66 0.54 -0.00 0.00 0.00 175.17 171.37 3hf9 n ARG 18 N -5.39 -0.15 -2.44 2.11 5.12 -1.26 -4.53 116.66 110.11 3hf9 n ARG 18 Ca 0.12 -0.82 -0.30 0.00 -1.93 0.00 0.00 57.85 54.92 3hf9 n ARG 18 Cb 0.59 -1.08 -0.02 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 -0.38 3.74 -0.14 5.56 6.06 -1.26 -1.73 118.95 130.80 3hf9 s ARG 19 Ca 0.05 0.62 -0.12 0.00 -2.50 0.00 0.00 55.73 53.78 3hf9 s ARG 19 Cb 0.03 -2.24 0.04 0.00 0.06 0.00 0.00 34.95 32.84 3hf9 s ARG 19 CO 0.05 -0.26 0.37 -1.54 -2.50 0.00 0.00 175.30 171.42 3hf9 s SER 20 N -3.56 -0.40 0.18 -2.12 1.04 -0.76 -4.85 113.70 103.24 3hf9 s SER 20 Ca 0.54 0.75 0.11 0.00 0.48 0.00 0.00 55.95 57.83 3hf9 s SER 20 Cb -0.10 0.75 -0.04 0.00 0.10 0.00 0.00 66.02 66.72 3hf9 s SER 20 CO 0.39 -0.14 -0.23 0.42 0.98 0.00 0.00 173.24 174.66 3hf9 s THR 21 N 0.36 2.42 -0.65 2.02 -4.23 -1.26 -0.86 115.64 113.43 3hf9 s THR 21 Ca -0.01 -1.94 0.05 0.00 -1.18 0.00 0.00 61.69 58.60 3hf9 s THR 21 Cb -0.03 -2.15 0.16 0.00 1.34 0.00 0.00 72.50 71.82 3hf9 s THR 21 CO -0.01 -0.07 0.43 -1.58 -0.54 0.00 0.00 174.62 172.84 3hf9 s GLN 22 N -2.56 2.31 7.24 3.99 0.74 -0.12 -4.84 119.66 126.42 3hf9 s GLN 22 Ca 0.20 -3.14 0.00 0.00 0.05 0.00 0.00 55.36 52.47 3hf9 s GLN 22 Cb -0.08 -3.36 0.00 0.00 1.10 0.00 0.00 33.01 30.66 3hf9 s GLN 22 CO 0.10 -1.24 0.00 0.41 -0.55 0.00 0.00 175.29 174.00 3hf9 n GLY 23 N 2.28 2.11 0.09 2.59 0.00 -1.26 -3.21 105.19 107.78 3hf9 n GLY 23 Ca 0.16 -0.35 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 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 9.43 0.55 -4.76 1.61 3.02 -1.26 -4.93 115.26 118.92 3hf9 n ASN 24 Ca 0.00 0.25 -0.41 0.00 -0.03 0.00 0.00 54.58 54.39 3hf9 n ASN 24 Cb 0.00 0.42 -0.02 0.00 -0.61 0.00 0.00 39.78 39.57 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 -2.67 4.34 -0.34 3.52 -1.94 -1.20 -4.97 119.30 116.04 3hf9 s MET 25 Ca -0.06 2.21 -0.27 0.00 -1.71 0.00 0.00 55.69 55.86 3hf9 s MET 25 Cb 0.08 -3.10 0.01 0.00 2.01 0.00 0.00 34.83 33.83 3hf9 s MET 25 CO 0.83 -0.26 0.98 0.42 -0.01 0.00 0.00 175.02 176.98 3hf9 s ILE 26 N -0.62 4.57 -1.21 2.53 1.01 -1.26 -0.95 121.20 125.26 3hf9 s ILE 26 Ca 0.53 1.44 0.18 0.00 0.00 0.00 0.00 60.65 62.79 3hf9 s ILE 26 Cb -0.40 -4.35 -0.10 0.00 0.01 0.00 0.00 42.46 37.62 3hf9 s ILE 26 CO 0.48 -0.49 0.82 -1.54 0.00 0.00 0.00 174.94 174.21 3hf9 n SER 27 N 6.78 1.26 -3.63 3.58 3.41 -0.04 -4.93 113.62 120.06 3hf9 n SER 27 Ca 0.09 -1.13 -0.13 0.00 -0.26 0.00 0.00 58.87 57.44 3hf9 n SER 27 Cb 0.48 0.75 -0.07 0.00 -0.26 0.00 0.00 64.21 65.11 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 -2.36 -0.46 0.00 5.00 0.00 -0.87 -4.93 107.32 103.70 3hf9 s GLY 28 Ca 0.11 2.13 0.00 0.00 0.00 0.00 0.00 44.72 46.95 3hf9 s GLY 28 CO 0.59 1.72 0.24 0.54 0.00 0.00 0.00 173.10 176.18 3hf9 n ARG 29 N 2.48 3.09 0.00 2.90 1.74 -1.25 -1.82 116.66 123.80 3hf9 n ARG 29 Ca -0.14 -0.24 0.03 0.00 -0.77 0.00 0.00 57.85 56.73 3hf9 n ARG 29 Cb 0.55 -0.73 -0.00 0.00 -1.02 0.00 0.00 32.46 31.26 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 -0.51 0.87 -4.66 0.55 5.68 -1.14 -4.60 116.55 112.74 3hf9 n ASP 30 Ca 0.00 -0.93 -0.49 0.00 -0.50 0.00 0.00 54.79 52.86 3hf9 n ASP 30 Cb 0.00 0.52 -0.05 0.00 -1.14 0.00 0.00 41.12 40.45 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 -0.42 0.50 -3.08 2.12 0.31 -0.70 -4.98 118.33 112.08 3hf9 n VAL 31 Ca 0.02 -0.14 -0.40 0.00 -0.01 0.00 0.00 64.34 63.82 3hf9 n VAL 31 Cb 0.12 -1.81 -0.05 0.00 -0.91 0.00 0.00 33.84 31.18 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 4.40 4.26 -0.01 5.55 0.52 -1.26 -4.27 118.95 128.13 3hf9 s ARG 32 Ca 0.96 0.71 0.08 0.00 -0.52 0.00 0.00 55.73 56.96 3hf9 s ARG 32 Cb -0.74 -3.56 -0.12 0.00 0.52 0.00 0.00 34.95 31.06 3hf9 s ARG 32 CO 0.52 -0.21 0.21 1.63 0.02 0.00 0.00 175.30 177.48 3hf9 n LYS 33 N 4.89 1.17 -4.27 3.54 5.02 -1.26 -4.73 118.16 122.51 3hf9 n LYS 33 Ca -0.01 -0.06 -0.34 0.00 -2.02 0.00 0.00 58.31 55.89 3hf9 n LYS 33 Cb 0.50 -1.12 -0.12 0.00 -0.02 0.00 0.00 35.03 34.27 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 -2.37 3.93 0.09 -0.18 1.01 -1.26 -2.67 120.40 118.95 3hf9 s VAL 34 Ca -0.02 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.65 3hf9 s VAL 34 Cb 0.05 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 3hf9 s VAL 34 CO 0.33 0.47 -0.07 -0.31 0.00 0.00 0.00 175.10 175.51 3hf9 s TYR 35 N 0.59 0.91 -0.42 5.22 1.51 -0.43 -4.97 117.35 119.75 3hf9 s TYR 35 Ca -0.02 -0.81 -0.18 0.00 -1.01 0.00 0.00 57.07 55.05 3hf9 s TYR 35 Cb -0.14 -0.52 0.02 0.00 -0.11 0.00 0.00 41.96 41.21 3hf9 s TYR 35 CO 0.02 -0.10 0.49 0.42 -1.11 0.00 0.00 175.55 175.27 3hf9 s ILE 36 N -3.11 5.03 0.19 2.71 1.01 -1.26 -0.66 121.20 125.10 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 0.02 -4.08 0.07 0.00 0.01 0.00 0.00 42.46 38.48 3hf9 s ILE 36 CO -0.03 -0.46 1.65 0.71 0.00 0.00 0.00 174.94 176.81 3hf9 h THR 37 N 5.76 1.27 -3.28 2.92 1.35 -1.56 -3.48 112.91 115.90 3hf9 h THR 37 Ca -0.26 -1.15 -0.12 0.00 -0.55 0.00 0.00 66.41 64.33 3hf9 h THR 37 Cb 1.11 0.77 -0.02 0.00 -1.73 0.00 0.00 68.15 68.28 3hf9 h THR 37 CO 0.82 0.42 0.09 -0.90 -0.25 0.00 0.00 175.52 175.70 3hf9 n ASP 38 N -4.18 -1.73 -0.36 5.36 5.75 -0.84 -4.28 116.55 116.26 3hf9 n ASP 38 Ca 0.03 -2.55 -0.00 0.00 -0.01 0.00 0.00 54.79 52.26 3hf9 n ASP 38 Cb 0.34 2.99 0.13 0.00 -1.03 0.00 0.00 41.12 43.55 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 1.79 1.07 -0.47 -1.12 5.19 -1.94 -2.96 116.42 117.97 3hf9 h ASP 39 Ca -0.28 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 3hf9 h ASP 39 Cb 1.10 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 40.36 3hf9 h ASP 39 CO 0.36 0.73 0.00 -1.22 -3.12 0.00 0.00 179.24 176.00 3hf9 n TYR 40 N -4.46 0.61 -3.92 4.55 4.02 -1.26 0.59 117.16 117.29 3hf9 n TYR 40 Ca 0.13 -0.34 -0.10 0.00 -0.01 0.00 0.00 57.90 57.59 3hf9 n TYR 40 Cb 0.09 -0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.31 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 -1.27 0.12 0.00 -0.72 -4.23 -1.12 -0.54 115.64 107.88 3hf9 s THR 41 Ca 0.39 -0.97 -0.07 0.00 -1.18 0.00 0.00 61.69 59.86 3hf9 s THR 41 Cb 0.22 -0.69 -0.00 0.00 1.34 0.00 0.00 72.50 73.37 3hf9 s THR 41 CO 0.30 -0.53 0.12 0.00 -0.54 0.00 0.00 174.62 173.97 3hf9 s ALA 42 N -2.13 -0.29 0.01 3.99 0.00 0.47 -1.40 121.76 122.41 3hf9 s ALA 42 Ca -0.09 -0.17 0.08 0.00 0.00 0.00 0.00 51.96 51.78 3hf9 s ALA 42 Cb -0.04 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 3hf9 s ALA 42 CO -0.02 -0.20 -0.23 0.95 0.00 0.00 0.00 175.76 176.25 3hf9 s THR 43 N -1.38 1.87 -0.04 0.00 -4.23 0.16 -0.99 115.64 111.03 3hf9 s THR 43 Ca -0.15 -1.13 0.05 0.00 -1.18 0.00 0.00 61.69 59.28 3hf9 s THR 43 Cb -0.08 -1.58 -0.01 0.00 1.34 0.00 0.00 72.50 72.18 3hf9 s THR 43 CO 0.01 0.41 -0.19 -0.83 -0.54 0.00 0.00 174.62 173.48 3hf9 s GLY 44 N -0.86 1.01 -0.07 3.99 0.00 -0.51 -1.31 107.32 109.57 3hf9 s GLY 44 Ca 0.09 -0.79 0.04 0.00 0.00 0.00 0.00 44.72 44.06 3hf9 s GLY 44 CO 0.00 -0.47 -0.19 -0.42 0.00 0.00 0.00 173.10 172.02 3hf9 s ILE 45 N -0.09 1.65 -1.41 0.90 1.09 -1.09 -0.63 121.20 121.63 3hf9 s ILE 45 Ca -0.02 -0.81 -0.09 0.00 -1.10 0.00 0.00 60.65 58.63 3hf9 s ILE 45 Cb -0.11 -1.43 0.07 0.00 -1.06 0.00 0.00 42.46 39.92 3hf9 s ILE 45 CO 0.02 0.47 2.35 0.00 -0.10 0.00 0.00 174.94 177.68 3hf9 n ALA 46 N 3.38 6.33 -3.00 9.38 0.00 -1.26 -4.81 120.51 130.54 3hf9 n ALA 46 Ca -0.19 -3.97 0.00 0.00 0.00 0.00 0.00 53.44 49.27 3hf9 n ALA 46 Cb 0.52 -3.14 0.00 0.00 0.00 0.00 0.00 19.45 16.84 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 2.97 5.07 3.73 0.00 0.00 -1.26 -4.92 105.19 110.78 3hf9 n GLY 47 Ca 0.58 -1.32 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 3hf9 n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hf9 s THR 48 N -0.78 2.94 0.22 2.61 -4.23 -1.26 -4.82 115.64 110.32 3hf9 s THR 48 Ca 0.00 0.31 -0.07 0.00 -1.18 0.00 0.00 61.69 60.74 3hf9 s THR 48 Cb 0.00 -2.72 0.18 0.00 1.34 0.00 0.00 72.50 71.30 3hf9 s THR 48 CO 0.00 -0.40 1.73 0.00 -0.54 0.00 0.00 174.62 175.41 3hf9 h ALA 49 N -1.39 0.88 -0.25 3.99 0.00 -1.96 -2.58 119.26 117.96 3hf9 h ALA 49 Ca -0.46 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 3hf9 h ALA 49 Cb 1.25 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3hf9 h ALA 49 CO 0.51 -0.22 0.04 0.00 0.00 0.00 0.00 179.25 179.58 3hf9 h ALA 50 N 1.48 0.33 -0.78 0.00 0.00 -1.93 -2.71 119.26 115.67 3hf9 h ALA 50 Ca 0.35 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3hf9 h ALA 50 Cb 0.49 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3hf9 h ALA 50 CO -0.36 0.02 0.48 0.28 0.00 0.00 0.00 179.25 179.67 3hf9 h VAL 51 N 0.23 1.08 -0.55 0.00 2.07 -1.88 0.11 116.25 117.31 3hf9 h VAL 51 Ca 0.08 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 3hf9 h VAL 51 Cb 0.33 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3hf9 h VAL 51 CO 0.01 0.17 0.24 0.00 0.02 0.00 0.00 177.57 178.00 3hf9 h ALA 52 N 1.34 0.72 0.40 1.67 0.00 -1.31 -1.93 119.26 120.16 3hf9 h ALA 52 Ca 0.32 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3hf9 h ALA 52 Cb 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3hf9 h ALA 52 CO -0.13 0.31 -0.19 0.28 0.00 0.00 0.00 179.25 179.52 3hf9 h VAL 53 N 0.75 0.21 -0.57 0.00 2.07 -1.20 -2.60 116.25 114.91 3hf9 h VAL 53 Ca 0.19 -0.64 0.14 0.00 0.82 0.00 0.00 66.70 67.20 3hf9 h VAL 53 Cb 0.17 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 3hf9 h VAL 53 CO -0.02 0.05 0.40 -0.33 0.02 0.00 0.00 177.57 177.69 3hf9 h GLU 54 N -1.08 0.16 0.04 1.57 4.39 -0.78 0.56 114.58 119.44 3hf9 h GLU 54 Ca -0.06 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 3hf9 h GLU 54 Cb 0.50 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3hf9 h GLU 54 CO 0.09 0.10 -0.02 0.35 -1.16 0.00 0.00 179.01 178.38 3hf9 h PHE 55 N 0.16 -0.05 -0.40 4.33 3.04 -1.42 -2.26 116.94 120.35 3hf9 h PHE 55 Ca 0.27 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.26 3hf9 h PHE 55 Cb 0.85 0.02 -0.04 0.00 2.56 0.00 0.00 35.95 39.34 3hf9 h PHE 55 CO -0.00 0.62 0.17 0.00 -2.02 0.00 0.00 178.31 177.08 3hf9 h ALA 56 N 0.02 0.48 -0.36 2.41 0.00 -0.67 -1.18 119.26 119.96 3hf9 h ALA 56 Ca -0.01 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3hf9 h ALA 56 Cb 0.69 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.38 3hf9 h ALA 56 CO 0.01 -0.21 -0.35 -0.09 0.00 0.00 0.00 179.25 178.61 3hf9 h ARG 57 N 0.34 -0.28 -0.28 0.00 2.43 -0.03 0.18 114.38 116.74 3hf9 h ARG 57 Ca 0.18 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 3hf9 h ARG 57 Cb 0.13 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 3hf9 h ARG 57 CO -0.16 -0.19 0.10 1.25 -1.51 0.00 0.00 179.97 179.46 3hf9 h LEU 58 N -0.29 0.10 -0.60 3.80 5.85 -1.02 -1.62 115.31 121.53 3hf9 h LEU 58 Ca 0.15 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3hf9 h LEU 58 Cb 0.55 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 3hf9 h LEU 58 CO -0.52 0.09 0.38 0.22 -0.34 0.00 0.00 178.44 178.27 3hf9 h TYR 59 N 0.22 0.77 -0.69 1.25 3.20 -0.40 -1.20 116.97 120.12 3hf9 h TYR 59 Ca 0.12 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 3hf9 h TYR 59 Cb 0.09 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 3hf9 h TYR 59 CO -0.13 0.51 0.37 0.00 -1.64 0.00 0.00 178.16 177.27 3hf9 h ALA 60 N 1.20 0.88 -0.06 1.82 0.00 -0.42 -0.65 119.26 122.04 3hf9 h ALA 60 Ca 0.22 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3hf9 h ALA 60 Cb -0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3hf9 h ALA 60 CO -0.04 0.40 -0.06 0.28 0.00 0.00 0.00 179.25 179.83 3hf9 h VAL 61 N 0.94 0.82 -0.09 0.00 2.07 -0.93 -1.64 116.25 117.43 3hf9 h VAL 61 Ca 0.24 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.80 3hf9 h VAL 61 Cb 0.05 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 3hf9 h VAL 61 CO -0.04 0.00 -0.16 -0.33 0.02 0.00 0.00 177.57 177.06 3hf9 h GLU 62 N -0.08 -0.21 -0.18 1.57 5.08 -0.52 0.32 114.58 120.55 3hf9 h GLU 62 Ca 0.05 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3hf9 h GLU 62 Cb 0.15 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 3hf9 h GLU 62 CO -0.11 -0.14 -0.13 -0.07 -1.00 0.00 0.00 179.01 177.56 3hf9 h LEU 63 N -0.22 -0.42 -0.26 1.33 3.38 -1.04 -1.26 115.31 116.82 3hf9 h LEU 63 Ca 0.08 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3hf9 h LEU 63 Cb 0.33 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3hf9 h LEU 63 CO -0.22 -0.17 -0.02 -0.08 0.09 0.00 0.00 178.44 178.05 3hf9 h GLU 64 N -0.13 0.47 -0.78 1.13 4.81 -1.10 -2.16 114.58 116.82 3hf9 h GLU 64 Ca 0.11 -0.16 0.17 0.00 -0.13 0.00 0.00 59.36 59.35 3hf9 h GLU 64 Cb 0.30 -0.04 -0.14 0.00 0.63 0.00 0.00 28.75 29.50 3hf9 h GLU 64 CO -0.26 0.65 -0.10 1.25 -0.73 0.00 0.00 179.01 179.82 3hf9 h HIS 65 N 0.24 -0.24 -0.57 0.92 2.76 -0.12 0.13 115.15 118.27 3hf9 h HIS 65 Ca 0.07 0.06 -0.08 0.00 -2.20 0.00 0.00 60.37 58.23 3hf9 h HIS 65 Cb 0.45 0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.62 3hf9 h HIS 65 CO 0.04 -0.30 0.05 -0.92 -1.30 0.00 0.00 177.93 175.50 3hf9 h TYR 66 N 0.04 0.99 -0.58 5.26 3.20 -0.98 -1.88 116.97 123.03 3hf9 h TYR 66 Ca 0.40 -0.14 -0.08 0.00 3.14 0.00 0.00 58.73 62.05 3hf9 h TYR 66 Cb 0.67 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 3hf9 h TYR 66 CO -0.53 0.87 0.04 1.49 -1.64 0.00 0.00 178.16 178.39 3hf9 h GLU 67 N 0.87 0.99 -0.63 1.82 4.81 -0.20 -0.48 114.58 121.76 3hf9 h GLU 67 Ca 0.17 -0.29 -0.08 0.00 -0.13 0.00 0.00 59.36 59.02 3hf9 h GLU 67 Cb 0.44 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3hf9 h GLU 67 CO 0.02 0.97 0.06 0.87 -0.73 0.00 0.00 179.01 180.20 3hf9 h LYS 68 N 0.88 1.07 -0.46 1.92 1.57 -0.83 0.23 116.57 120.94 3hf9 h LYS 68 Ca 0.17 -0.30 -0.12 0.00 -1.87 0.00 0.00 60.65 58.53 3hf9 h LYS 68 Cb 0.49 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3hf9 h LYS 68 CO 0.02 1.00 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.65 3hf9 h LEU 69 N 0.99 0.96 -0.99 2.94 3.38 -1.14 -3.35 115.31 118.10 3hf9 h LEU 69 Ca 0.19 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3hf9 h LEU 69 Cb 0.48 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3hf9 h LEU 69 CO 0.02 1.13 -0.16 -0.62 0.09 0.00 0.00 178.44 178.90 3hf9 n GLU 70 N -4.18 1.57 0.00 1.13 -0.58 -0.21 -4.98 120.64 113.40 3hf9 n GLU 70 Ca -0.00 -0.81 0.00 0.00 -0.42 0.00 0.00 57.16 55.92 3hf9 n GLU 70 Cb 0.43 -1.15 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 0.84 2.77 3.34 0.62 0.00 0.80 -4.97 105.19 108.60 3hf9 n GLY 71 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 3hf9 n GLY 71 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hf9 s VAL 72 N -1.41 1.71 0.61 1.61 -7.23 -1.24 -4.93 120.40 109.53 3hf9 s VAL 72 Ca 0.00 -2.19 -0.16 0.00 -1.81 0.00 0.00 61.98 57.82 3hf9 s VAL 72 Cb 0.00 -2.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.89 3hf9 s VAL 72 CO 0.00 -0.59 1.09 -2.84 -0.31 0.00 0.00 175.10 172.45 3hf9 s PRO 73 N -3.60 3.14 0.60 4.82 0.02 -1.26 -4.02 135.00 134.70 3hf9 s PRO 73 Ca 0.22 1.36 -0.19 0.00 0.02 0.00 0.00 61.00 62.40 3hf9 s PRO 73 Cb -0.01 -2.00 -0.03 0.00 0.02 0.00 0.00 34.50 32.48 3hf9 s PRO 73 CO 0.06 -0.98 1.23 1.28 -0.33 0.00 0.00 177.00 178.27 3hf9 n LEU 74 N -2.00 5.26 -4.64 -5.54 4.77 -1.26 -5.02 117.00 108.57 3hf9 n LEU 74 Ca 0.10 0.88 -0.30 0.00 -0.03 0.00 0.00 56.01 56.66 3hf9 n LEU 74 Cb 0.52 -1.52 0.18 0.00 -2.33 0.00 0.00 43.42 40.27 3hf9 n LEU 74 CO 0.46 -1.07 0.63 0.42 -1.33 0.00 0.00 177.39 176.50 3hf9 s THR 75 N -1.38 2.29 0.17 -5.08 -4.23 -1.26 -4.70 115.64 101.46 3hf9 s THR 75 Ca 0.77 0.10 -0.14 0.00 -1.18 0.00 0.00 61.69 61.24 3hf9 s THR 75 Cb -0.41 -2.26 0.07 0.00 1.34 0.00 0.00 72.50 71.24 3hf9 s THR 75 CO 0.45 -0.12 1.75 0.15 -0.54 0.00 0.00 174.62 176.31 3hf9 h PHE 76 N -1.95 0.30 -0.71 3.99 3.57 -1.96 -0.09 116.94 120.08 3hf9 h PHE 76 Ca -0.50 0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.18 3hf9 h PHE 76 Cb 1.29 -0.07 -0.12 0.00 2.79 0.00 0.00 35.95 39.84 3hf9 h PHE 76 CO 0.43 0.11 0.02 0.00 -2.23 0.00 0.00 178.31 176.64 3hf9 h ALA 77 N 1.30 0.75 -0.55 2.41 0.00 -1.99 0.14 119.26 121.31 3hf9 h ALA 77 Ca 0.21 0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.38 3hf9 h ALA 77 Cb 0.21 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3hf9 h ALA 77 CO -0.21 -0.40 0.31 0.78 0.00 0.00 0.00 179.25 179.72 3hf9 h GLY 78 N 0.13 0.79 0.82 0.00 0.00 -1.41 -0.24 103.07 103.15 3hf9 h GLY 78 Ca 0.39 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.52 3hf9 h GLY 78 CO -0.61 0.16 0.21 0.50 0.00 0.00 0.00 176.54 176.81 3hf9 h LYS 79 N 0.60 0.42 -0.57 4.80 1.57 0.47 -1.31 116.57 122.54 3hf9 h LYS 79 Ca 0.23 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3hf9 h LYS 79 Cb 0.09 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3hf9 h LYS 79 CO -0.13 0.28 0.36 0.82 -0.57 0.00 0.00 179.45 180.20 3hf9 h ILE 80 N 0.43 1.16 0.21 1.86 2.04 -0.79 -1.67 117.51 120.74 3hf9 h ILE 80 Ca 0.17 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.71 3hf9 h ILE 80 Cb 0.06 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.47 3hf9 h ILE 80 CO -0.11 0.16 -0.38 -1.13 0.00 0.00 0.00 178.15 176.69 3hf9 h ASN 81 N 0.77 -1.09 -0.96 1.72 -1.24 -0.38 0.75 115.58 115.15 3hf9 h ASN 81 Ca 0.21 0.11 0.08 0.00 0.71 0.00 0.00 56.30 57.40 3hf9 h ASN 81 Cb -0.05 0.40 -0.07 0.00 0.73 0.00 0.00 38.32 39.33 3hf9 h ASN 81 CO -0.04 -0.48 0.61 0.03 -1.29 0.00 0.00 177.43 176.25 3hf9 h ARG 82 N -0.67 1.04 0.09 6.67 2.47 -1.20 0.22 114.38 123.00 3hf9 h ARG 82 Ca 0.01 -0.06 0.01 0.00 -1.26 0.00 0.00 59.98 58.68 3hf9 h ARG 82 Cb 0.66 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.72 3hf9 h ARG 82 CO -0.17 0.69 -0.17 1.25 0.56 0.00 0.00 179.97 182.13 3hf9 h LEU 83 N 1.07 -0.48 -0.69 3.04 6.46 -0.76 -0.60 115.31 123.36 3hf9 h LEU 83 Ca 0.43 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 58.24 3hf9 h LEU 83 Cb 0.23 0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.32 3hf9 h LEU 83 CO -0.19 -0.25 0.42 0.00 -0.62 0.00 0.00 178.44 177.80 3hf9 h ALA 84 N 0.51 0.87 -0.47 1.25 0.00 -0.09 0.43 119.26 121.76 3hf9 h ALA 84 Ca 0.03 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3hf9 h ALA 84 Cb 0.35 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3hf9 h ALA 84 CO -0.10 0.34 0.25 0.82 0.00 0.00 0.00 179.25 180.56 3hf9 h ILE 85 N 0.93 0.98 -0.48 0.00 2.04 -0.81 0.18 117.51 120.35 3hf9 h ILE 85 Ca 0.25 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.95 3hf9 h ILE 85 Cb -0.04 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 3hf9 h ILE 85 CO -0.05 0.09 0.30 -0.03 0.00 0.00 0.00 178.15 178.46 3hf9 h MET 86 N 0.49 0.59 -0.19 2.37 4.05 -0.33 0.66 114.93 122.57 3hf9 h MET 86 Ca 0.20 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.57 3hf9 h MET 86 Cb 0.09 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 3hf9 h MET 86 CO -0.13 0.39 0.04 0.28 0.23 0.00 0.00 176.91 177.72 3hf9 h VAL 87 N 0.61 1.21 -0.18 -5.77 2.07 -0.52 -2.55 116.25 111.13 3hf9 h VAL 87 Ca 0.19 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 3hf9 h VAL 87 Cb -0.03 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3hf9 h VAL 87 CO -0.06 0.21 -0.02 0.03 0.02 0.00 0.00 177.57 177.74 3hf9 h ARG 88 N 0.12 0.26 -0.95 1.57 3.08 -0.87 -2.53 114.38 115.05 3hf9 h ARG 88 Ca 0.06 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.10 3hf9 h ARG 88 Cb 0.28 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 3hf9 h ARG 88 CO 0.00 0.30 0.63 0.78 -1.07 0.00 0.00 179.97 180.61 3hf9 h GLY 89 N 0.56 1.37 1.46 0.04 0.00 -0.49 -2.39 103.07 103.61 3hf9 h GLY 89 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3hf9 h GLY 89 CO 0.01 0.44 -0.48 3.43 0.00 0.00 0.00 176.54 179.94 3hf9 h ASN 90 N 1.24 0.00 1.10 0.19 2.35 -1.07 -3.17 115.58 116.22 3hf9 h ASN 90 Ca 0.37 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 3hf9 h ASN 90 Cb -0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.32 3hf9 h ASN 90 CO -0.10 0.03 -0.70 -0.07 -1.65 0.00 0.00 177.43 174.94 3hf9 h LEU 91 N 0.00 0.00 -0.29 1.61 3.38 -1.35 -3.22 115.31 115.44 3hf9 h LEU 91 Ca 0.00 -0.08 -0.20 0.00 0.09 0.00 0.00 57.88 57.69 3hf9 h LEU 91 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3hf9 h LEU 91 CO 0.00 0.04 -0.72 0.00 0.09 0.00 0.00 178.44 177.85 3hf9 h ALA 92 N 2.20 0.46 0.02 1.53 0.00 -1.45 -3.51 119.26 118.50 3hf9 h ALA 92 Ca 0.00 -0.59 -0.32 0.00 0.00 0.00 0.00 54.91 54.00 3hf9 h ALA 92 Cb 0.90 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 3hf9 h ALA 92 CO 0.00 0.71 -1.92 0.00 0.00 0.00 0.00 179.25 178.05 3hf9 n ALA 93 N -2.56 1.40 -2.84 0.00 0.00 -1.20 -5.13 120.51 110.18 3hf9 n ALA 93 Ca -0.06 -0.86 -0.28 0.00 0.00 0.00 0.00 53.44 52.23 3hf9 n ALA 93 Cb 0.71 -0.67 -0.03 0.00 0.00 0.00 0.00 19.45 19.47 3hf9 n ALA 93 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hf9 n LEU 99 N -3.06 4.82 -4.40 0.00 4.77 -1.26 -5.07 117.00 112.80 3hf9 n LEU 99 Ca -0.23 -5.59 -0.45 0.00 -0.03 0.00 0.00 56.01 49.71 3hf9 n LEU 99 Cb 1.07 -0.61 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 3hf9 n LEU 99 CO 0.43 2.31 0.60 0.00 -1.33 0.00 0.00 177.39 179.40 3hf9 s ALA 100 N -3.57 3.43 -0.34 -1.18 0.00 -1.26 -5.02 121.76 113.82 3hf9 s ALA 100 Ca 0.48 -2.42 -0.14 0.00 0.00 0.00 0.00 51.96 49.88 3hf9 s ALA 100 Cb 0.29 -3.70 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 3hf9 s ALA 100 CO -0.15 -2.55 0.31 -0.51 0.00 0.00 0.00 175.76 172.85 3hf9 s LEU 101 N 2.61 4.45 0.63 0.00 2.01 -1.26 -5.00 118.68 122.12 3hf9 s LEU 101 Ca 0.19 -0.28 -0.12 0.00 0.01 0.00 0.00 54.13 53.92 3hf9 s LEU 101 Cb -0.17 -2.25 -0.03 0.00 0.01 0.00 0.00 46.19 43.75 3hf9 s LEU 101 CO 0.01 -0.28 1.04 -2.84 1.01 0.00 0.00 176.35 175.29 3hf9 s PRO 102 N 1.89 3.37 -0.13 1.29 0.02 -1.26 -4.35 135.00 135.83 3hf9 s PRO 102 Ca 0.09 0.92 0.01 0.00 0.02 0.00 0.00 61.00 62.04 3hf9 s PRO 102 Cb -0.17 -2.05 0.02 0.00 0.02 0.00 0.00 34.50 32.32 3hf9 s PRO 102 CO 0.11 -0.75 -0.16 -1.17 -0.33 0.00 0.00 177.00 174.70 3hf9 s LEU 103 N -5.06 1.75 -0.17 -5.54 0.20 0.20 -3.06 118.68 107.01 3hf9 s LEU 103 Ca 0.58 -0.47 -0.04 0.00 0.69 0.00 0.00 54.13 54.89 3hf9 s LEU 103 Cb -0.13 -1.16 -0.02 0.00 -0.43 0.00 0.00 46.19 44.45 3hf9 s LEU 103 CO 0.49 -0.00 -0.04 -0.22 -0.29 0.00 0.00 176.35 176.29 3hf9 s LEU 104 N 1.16 3.18 -0.06 -0.68 2.96 0.12 -1.43 118.68 123.93 3hf9 s LEU 104 Ca -0.02 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 3hf9 s LEU 104 Cb -0.14 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 3hf9 s LEU 104 CO -0.05 0.13 -0.16 0.00 -1.32 0.00 0.00 176.35 174.95 3hf9 s ALA 105 N 0.60 2.57 0.20 5.97 0.00 -0.16 -0.86 121.76 130.08 3hf9 s ALA 105 Ca -0.03 -0.98 -0.16 0.00 0.00 0.00 0.00 51.96 50.79 3hf9 s ALA 105 Cb -0.14 -0.96 0.02 0.00 0.00 0.00 0.00 23.12 22.04 3hf9 s ALA 105 CO 0.02 0.48 0.50 0.20 0.00 0.00 0.00 175.76 176.96 3hf9 s GLY 106 N -0.46 0.04 -0.10 0.00 0.00 -0.52 -0.40 107.32 105.89 3hf9 s GLY 106 Ca 0.06 -0.38 0.02 0.00 0.00 0.00 0.00 44.72 44.42 3hf9 s GLY 106 CO 0.02 -0.36 -0.16 -0.47 0.00 0.00 0.00 173.10 172.12 3hf9 s TYR 107 N -3.90 1.95 -0.50 1.90 5.04 0.30 -0.47 117.35 121.66 3hf9 s TYR 107 Ca 0.12 -0.85 -0.16 0.00 -2.44 0.00 0.00 57.07 53.73 3hf9 s TYR 107 Cb -0.01 -1.39 0.09 0.00 0.35 0.00 0.00 41.96 41.00 3hf9 s TYR 107 CO -0.01 -0.42 0.48 0.34 -1.34 0.00 0.00 175.55 174.60 3hf9 s ASP 108 N 0.80 6.17 0.27 4.32 2.15 -0.49 -4.84 116.67 125.04 3hf9 s ASP 108 Ca -0.11 -1.38 0.03 0.00 0.43 0.00 0.00 52.55 51.53 3hf9 s ASP 108 Cb -0.16 -2.22 0.36 0.00 -0.30 0.00 0.00 42.92 40.61 3hf9 s ASP 108 CO 0.02 -0.77 1.66 0.16 -0.17 0.00 0.00 175.17 176.06 3hf9 h ILE 109 N 5.82 1.31 0.00 4.11 3.07 -1.97 -2.15 117.51 127.69 3hf9 h ILE 109 Ca -0.29 -1.53 0.00 0.00 1.55 0.00 0.00 64.86 64.59 3hf9 h ILE 109 Cb 1.10 1.62 0.00 0.00 -0.27 0.00 0.00 36.82 39.28 3hf9 h ILE 109 CO 0.95 0.47 0.00 1.41 -1.05 0.00 0.00 178.15 179.93 3hf9 n HIS 110 N -4.03 0.00 -2.49 0.16 8.25 -1.26 -4.81 115.22 111.04 3hf9 n HIS 110 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 3hf9 n HIS 110 Cb 0.49 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 31.52 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 -2.09 3.38 0.12 -1.41 0.00 -0.81 -4.95 121.76 116.01 3hf9 s ALA 111 Ca 0.18 0.84 -0.21 0.00 0.00 0.00 0.00 51.96 52.78 3hf9 s ALA 111 Cb 0.09 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 3hf9 s ALA 111 CO 0.16 -0.22 1.70 0.66 0.00 0.00 0.00 175.76 178.06 3hf9 h SER 112 N 4.93 -0.19 -3.60 0.00 4.64 -1.89 -3.39 113.55 114.05 3hf9 h SER 112 Ca -0.45 0.06 -0.70 0.00 -0.47 0.00 0.00 61.79 60.23 3hf9 h SER 112 Cb 1.21 0.12 -0.22 0.00 -0.31 0.00 0.00 62.40 63.20 3hf9 h SER 112 CO 0.72 -0.07 -0.49 -0.62 -0.87 0.00 0.00 176.83 175.50 3hf9 s ASP 113 N -5.19 5.89 0.41 4.97 3.68 -1.26 -4.96 116.67 120.21 3hf9 s ASP 113 Ca -0.13 -0.75 0.29 0.00 2.13 0.00 0.00 52.55 54.08 3hf9 s ASP 113 Cb 0.10 -2.09 1.25 0.00 -1.45 0.00 0.00 42.92 40.73 3hf9 s ASP 113 CO 0.68 -0.34 1.87 -0.65 0.13 0.00 0.00 175.17 176.86 3hf9 h PRO 114 N 8.49 0.00 -0.45 4.34 0.11 -1.95 -3.01 132.00 139.53 3hf9 h PRO 114 Ca -0.28 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.76 3hf9 h PRO 114 Cb 1.13 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3hf9 h PRO 114 CO 0.67 0.00 0.01 1.96 -0.21 0.00 0.00 178.00 180.43 3hf9 h GLN 115 N 0.00 0.78 -1.06 1.05 1.08 -1.93 -3.29 115.11 111.75 3hf9 h GLN 115 Ca 0.00 -0.24 -0.62 0.00 -1.45 0.00 0.00 58.65 56.34 3hf9 h GLN 115 Cb 0.39 -0.07 -0.37 0.00 -0.05 0.00 0.00 27.48 27.38 3hf9 h GLN 115 CO 0.00 0.84 -0.10 -1.13 -0.95 0.00 0.00 178.83 177.49 3hf9 n SER 116 N -4.40 6.01 -0.36 1.46 3.41 -1.15 -0.13 113.62 118.47 3hf9 n SER 116 Ca 0.00 -3.77 0.13 0.00 -0.26 0.00 0.00 58.87 54.98 3hf9 n SER 116 Cb 0.29 -0.63 0.41 0.00 -0.26 0.00 0.00 64.21 64.03 3hf9 n SER 116 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hf9 n ALA 117 N -0.72 2.90 -1.76 7.33 0.00 -1.17 -4.87 120.51 122.20 3hf9 n ALA 117 Ca 0.50 -0.44 -0.38 0.00 0.00 0.00 0.00 53.44 53.13 3hf9 n ALA 117 Cb 0.76 -1.12 0.01 0.00 0.00 0.00 0.00 19.45 19.09 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 -2.31 2.85 -0.01 0.00 0.00 -1.26 -1.39 107.32 105.20 3hf9 s GLY 118 Ca 0.29 1.13 0.01 0.00 0.00 0.00 0.00 44.72 46.15 3hf9 s GLY 118 CO 0.45 1.63 -0.01 0.50 0.00 0.00 0.00 173.10 175.67 3hf9 s ARG 119 N -2.67 0.19 -0.06 2.90 1.81 0.38 -4.90 118.95 116.60 3hf9 s ARG 119 Ca 0.65 -0.03 0.02 0.00 -1.72 0.00 0.00 55.73 54.65 3hf9 s ARG 119 Cb -0.34 -0.24 0.02 0.00 -0.45 0.00 0.00 34.95 33.93 3hf9 s ARG 119 CO 0.42 -0.01 -0.09 0.42 -0.68 0.00 0.00 175.30 175.36 3hf9 s ILE 120 N 0.26 0.93 -0.05 1.52 1.01 -1.26 -1.43 121.20 122.17 3hf9 s ILE 120 Ca -0.02 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.30 3hf9 s ILE 120 Cb -0.04 -0.89 0.01 0.00 0.01 0.00 0.00 42.46 41.55 3hf9 s ILE 120 CO -0.01 0.31 -0.11 -0.69 0.00 0.00 0.00 174.94 174.45 3hf9 s VAL 121 N 0.83 0.99 0.30 2.92 1.01 -0.04 -1.38 120.40 125.03 3hf9 s VAL 121 Ca -0.12 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.49 3hf9 s VAL 121 Cb -0.15 -0.91 -0.06 0.00 0.00 0.00 0.00 36.38 35.26 3hf9 s VAL 121 CO 0.02 0.32 -0.01 -0.94 0.00 0.00 0.00 175.10 174.49 3hf9 s SER 122 N 0.55 2.60 0.01 3.32 1.04 -0.49 0.15 113.70 120.88 3hf9 s SER 122 Ca -0.11 -1.27 0.08 0.00 0.48 0.00 0.00 55.95 55.13 3hf9 s SER 122 Cb -0.14 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 65.82 3hf9 s SER 122 CO 0.02 -0.46 -0.24 -0.36 0.98 0.00 0.00 173.24 173.18 3hf9 s PHE 123 N -3.13 2.17 0.80 5.02 0.40 -1.17 -1.04 117.98 121.02 3hf9 s PHE 123 Ca 0.32 -0.41 -0.09 0.00 -0.60 0.00 0.00 56.93 56.16 3hf9 s PHE 123 Cb 0.06 -1.35 0.12 0.00 0.51 0.00 0.00 43.02 42.37 3hf9 s PHE 123 CO 0.13 0.03 1.13 0.16 0.70 0.00 0.00 175.22 177.37 3hf9 s ASP 124 N -0.86 4.11 0.39 1.36 1.47 -0.48 -4.82 116.67 117.85 3hf9 s ASP 124 Ca 0.10 0.23 0.19 0.00 1.18 0.00 0.00 52.55 54.25 3hf9 s ASP 124 Cb -0.09 -0.60 1.13 0.00 -0.34 0.00 0.00 42.92 43.01 3hf9 s ASP 124 CO 0.00 -2.07 1.74 0.00 0.68 0.00 0.00 175.17 175.53 3hf9 h ALA 125 N -0.97 2.24 -0.56 2.11 0.00 -2.01 -0.97 119.26 119.10 3hf9 h ALA 125 Ca -0.43 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3hf9 h ALA 125 Cb 1.28 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3hf9 h ALA 125 CO 0.49 -0.70 0.00 0.00 0.00 0.00 0.00 179.25 179.04 3hf9 n ALA 126 N -2.45 2.88 -1.01 0.00 0.00 -1.26 -4.92 120.51 113.75 3hf9 n ALA 126 Ca 0.28 -1.27 -0.00 0.00 0.00 0.00 0.00 53.44 52.44 3hf9 n ALA 126 Cb 0.95 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 1.11 0.42 3.75 0.00 0.00 -0.37 -4.98 105.19 105.11 3hf9 n GLY 127 Ca 0.22 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.90 2.41 0.67 -0.02 0.00 -1.26 -4.62 107.32 101.59 3hf9 s GLY 128 Ca 0.00 -0.20 -0.11 0.00 0.00 0.00 0.00 44.72 44.40 3hf9 s GLY 128 CO 0.00 0.62 1.06 0.66 0.00 0.00 0.00 173.10 175.45 3hf9 s TRP 129 N 0.24 3.42 -0.18 1.90 1.48 -1.26 -1.38 118.94 123.15 3hf9 s TRP 129 Ca 0.25 1.19 -0.10 0.00 -1.06 0.00 0.00 56.10 56.39 3hf9 s TRP 129 Cb -0.15 -2.90 0.06 0.00 -1.16 0.00 0.00 33.47 29.32 3hf9 s TRP 129 CO 0.11 -0.99 0.44 1.21 -4.06 0.00 0.00 176.95 173.66 3hf9 s ASN 130 N -4.21 -0.54 -0.08 -2.66 3.04 -0.20 -4.89 114.94 105.39 3hf9 s ASN 130 Ca 0.57 0.97 -0.16 0.00 0.04 0.00 0.00 52.86 54.28 3hf9 s ASN 130 Cb -0.11 0.89 -0.05 0.00 -1.54 0.00 0.00 41.25 40.44 3hf9 s ASN 130 CO 0.53 -0.20 0.42 -0.63 -3.04 0.00 0.00 177.10 174.18 3hf9 s ILE 131 N 1.54 5.15 -0.32 -5.21 1.01 -1.26 -1.40 121.20 120.70 3hf9 s ILE 131 Ca -0.09 0.83 -0.21 0.00 0.00 0.00 0.00 60.65 61.18 3hf9 s ILE 131 Cb -0.08 -3.74 -0.00 0.00 0.01 0.00 0.00 42.46 38.64 3hf9 s ILE 131 CO -0.14 0.43 0.68 -1.61 0.00 0.00 0.00 174.94 174.31 3hf9 s GLU 132 N -0.05 3.86 0.00 2.79 0.41 -0.48 -4.89 118.70 120.34 3hf9 s GLU 132 Ca 0.23 0.32 0.16 0.00 -0.41 0.00 0.00 54.97 55.27 3hf9 s GLU 132 Cb -0.15 -3.75 0.13 0.00 -1.78 0.00 0.00 34.13 28.58 3hf9 s GLU 132 CO 0.10 -0.65 1.02 0.39 -0.49 0.00 0.00 175.26 175.63 3hf9 n GLU 133 N 6.03 1.28 0.03 1.61 1.02 -1.26 -4.32 120.64 125.04 3hf9 n GLU 133 Ca 0.00 -1.48 0.13 0.00 -0.02 0.00 0.00 57.16 55.79 3hf9 n GLU 133 Cb 0.49 -1.31 0.40 0.00 -0.02 0.00 0.00 31.44 30.99 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 0.92 0.10 0.00 3.49 1.02 -1.26 -4.96 120.64 119.95 3hf9 n GLU 134 Ca 0.10 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 3hf9 n GLU 134 Cb 0.41 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 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 1.43 3.27 3.28 0.62 0.00 -1.26 -5.03 105.19 107.51 3hf9 n GLY 135 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 3hf9 n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hf9 s TYR 136 N -2.89 1.46 -0.06 1.61 1.13 -1.26 -0.65 117.35 116.69 3hf9 s TYR 136 Ca 0.00 -1.36 -0.30 0.00 -1.41 0.00 0.00 57.07 54.00 3hf9 s TYR 136 Cb 0.00 -0.76 0.11 0.00 -1.10 0.00 0.00 41.96 40.21 3hf9 s TYR 136 CO 0.00 -0.55 0.95 -1.14 -2.51 0.00 0.00 175.55 172.30 3hf9 s GLN 137 N -3.94 0.71 -0.07 -3.49 2.00 -0.44 -4.92 119.66 109.50 3hf9 s GLN 137 Ca 0.38 -0.19 -0.20 0.00 -2.00 0.00 0.00 55.36 53.35 3hf9 s GLN 137 Cb 0.06 0.33 0.04 0.00 0.80 0.00 0.00 33.01 34.24 3hf9 s GLN 137 CO 0.16 -0.30 0.46 0.00 -0.50 0.00 0.00 175.29 175.12 3hf9 s ALA 138 N -2.65 -1.18 0.12 1.58 0.00 -1.26 -1.59 121.76 116.79 3hf9 s ALA 138 Ca 0.04 0.90 0.04 0.00 0.00 0.00 0.00 51.96 52.94 3hf9 s ALA 138 Cb -0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 3hf9 s ALA 138 CO -0.06 -0.28 -0.09 0.14 0.00 0.00 0.00 175.76 175.46 3hf9 s VAL 139 N -0.85 1.00 0.00 0.00 -7.23 -0.57 -4.88 120.40 107.87 3hf9 s VAL 139 Ca -0.09 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 3hf9 s VAL 139 Cb -0.03 -1.70 0.00 0.00 0.56 0.00 0.00 36.38 35.21 3hf9 s VAL 139 CO 0.05 -0.74 0.00 0.61 -0.31 0.00 0.00 175.10 174.71 3hf9 n GLY 140 N 0.01 -2.65 0.31 2.32 0.00 -1.26 -1.27 105.19 102.65 3hf9 n GLY 140 Ca -0.12 -2.19 -0.02 0.00 0.00 0.00 0.00 46.02 43.69 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 0.81 -0.28 1.61 4.64 -1.96 -1.62 113.55 116.75 3hf9 h SER 141 Ca 0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3hf9 h SER 141 Cb 0.00 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 61.88 3hf9 h SER 141 CO 0.00 0.75 0.00 0.61 -0.87 0.00 0.00 176.83 177.32 3hf9 n GLY 142 N -0.96 0.68 0.32 -0.77 0.00 -1.26 -4.45 105.19 98.75 3hf9 n GLY 142 Ca 0.05 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 45.80 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 1.66 0.51 -0.20 1.61 4.64 -1.51 -1.92 113.55 118.34 3hf9 h SER 143 Ca 0.00 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 3hf9 h SER 143 Cb 0.52 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 3hf9 h SER 143 CO 0.04 0.35 -0.07 -0.07 -0.87 0.00 0.00 176.83 176.21 3hf9 h LEU 144 N 0.59 0.41 -0.61 5.97 3.38 -1.81 -1.52 115.31 121.72 3hf9 h LEU 144 Ca 0.20 -0.39 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 3hf9 h LEU 144 Cb 0.07 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3hf9 h LEU 144 CO -0.05 0.71 0.01 -0.26 0.09 0.00 0.00 178.44 178.94 3hf9 h PHE 145 N 0.10 1.17 -0.16 1.13 0.04 -1.82 -1.95 116.94 115.46 3hf9 h PHE 145 Ca 0.05 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 60.61 3hf9 h PHE 145 Cb 0.54 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 3hf9 h PHE 145 CO 0.06 1.02 0.06 0.00 -0.60 0.00 0.00 178.31 178.85 3hf9 h ALA 146 N 0.99 0.20 -0.64 2.45 0.00 -1.30 -1.25 119.26 119.71 3hf9 h ALA 146 Ca 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3hf9 h ALA 146 Cb 0.55 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3hf9 h ALA 146 CO 0.03 -0.21 0.30 0.87 0.00 0.00 0.00 179.25 180.24 3hf9 h LYS 147 N 0.10 0.91 0.00 0.00 1.57 -1.23 -1.45 116.57 116.47 3hf9 h LYS 147 Ca 0.05 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.59 3hf9 h LYS 147 Cb 0.18 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3hf9 h LYS 147 CO -0.00 0.71 -0.58 0.77 -0.57 0.00 0.00 179.45 179.78 3hf9 h SER 148 N 0.91 0.00 -0.05 0.86 0.02 -1.15 -1.29 113.55 112.84 3hf9 h SER 148 Ca 0.22 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 3hf9 h SER 148 Cb 0.11 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 3hf9 h SER 148 CO -0.03 0.58 -0.03 -1.28 -1.14 0.00 0.00 176.83 174.93 3hf9 h SER 149 N 0.00 0.12 -0.76 3.07 0.87 -0.99 -3.21 113.55 112.65 3hf9 h SER 149 Ca -0.01 -0.43 0.03 0.00 -1.23 0.00 0.00 61.79 60.16 3hf9 h SER 149 Cb 1.13 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 63.01 3hf9 h SER 149 CO 0.08 0.52 0.50 0.24 -0.53 0.00 0.00 176.83 177.64 3hf9 h MET 150 N -0.28 0.91 -0.96 2.24 2.07 -1.19 -1.35 114.93 116.37 3hf9 h MET 150 Ca 0.01 -0.05 0.21 0.00 -2.07 0.00 0.00 59.70 57.80 3hf9 h MET 150 Cb 0.48 -0.20 -0.12 0.00 -1.87 0.00 0.00 31.60 29.89 3hf9 h MET 150 CO 0.01 0.60 0.53 -0.22 1.07 0.00 0.00 176.91 178.90 3hf9 h LYS 151 N 0.94 0.58 0.05 1.72 3.64 -1.24 0.16 116.57 122.42 3hf9 h LYS 151 Ca 0.30 -0.03 -0.27 0.00 -1.27 0.00 0.00 60.65 59.38 3hf9 h LYS 151 Cb 0.04 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3hf9 h LYS 151 CO -0.09 0.38 -1.39 0.87 -2.27 0.00 0.00 179.45 176.96 3hf9 h LYS 152 N 0.60 0.11 0.00 1.90 1.79 -1.41 -3.37 116.57 116.18 3hf9 h LYS 152 Ca 0.58 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 3hf9 h LYS 152 Cb 1.02 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 3hf9 h LYS 152 CO -0.45 0.94 -0.82 1.28 -1.08 0.00 0.00 179.45 179.32 3hf9 n LEU 153 N -3.33 0.66 -0.03 2.94 4.77 -0.58 -4.46 117.00 116.97 3hf9 n LEU 153 Ca -0.11 -0.11 -0.03 0.00 -0.03 0.00 0.00 56.01 55.73 3hf9 n LEU 153 Cb 1.01 -0.13 0.21 0.00 -2.33 0.00 0.00 43.42 42.18 3hf9 n LEU 153 CO 0.48 0.12 0.82 0.22 -1.33 0.00 0.00 177.39 177.70 3hf9 h TYR 154 N 0.00 0.64 -1.32 -1.77 3.20 -0.89 -1.32 116.97 115.51 3hf9 h TYR 154 Ca 0.00 -0.11 0.38 0.00 3.14 0.00 0.00 58.73 62.15 3hf9 h TYR 154 Cb 0.60 -0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.62 3hf9 h TYR 154 CO 0.00 0.69 0.92 0.66 -1.64 0.00 0.00 178.16 178.79 3hf9 h SER 155 N 0.54 0.12 -0.05 -2.11 4.64 -1.83 -0.80 113.55 114.06 3hf9 h SER 155 Ca 0.10 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3hf9 h SER 155 Cb 0.53 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3hf9 h SER 155 CO 0.03 -0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 3hf9 n GLN 156 N -4.30 1.21 -3.16 4.77 6.02 -0.50 -4.82 117.38 116.61 3hf9 n GLN 156 Ca 0.31 -0.32 -0.41 0.00 -0.01 0.00 0.00 57.00 56.56 3hf9 n GLN 156 Cb 1.35 -1.31 -0.07 0.00 1.02 0.00 0.00 30.24 31.22 3hf9 n GLN 156 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hf9 s VAL 157 N -1.94 4.97 0.00 5.09 1.01 -0.31 -4.84 120.40 124.39 3hf9 s VAL 157 Ca 0.28 0.79 0.00 0.00 0.00 0.00 0.00 61.98 63.05 3hf9 s VAL 157 Cb 0.14 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3hf9 s VAL 157 CO 0.22 -0.11 0.00 0.35 0.00 0.00 0.00 175.10 175.57 3hf9 n THR 158 N 5.35 0.00 -4.16 3.92 -2.24 -1.26 -4.87 114.28 111.03 3hf9 n THR 158 Ca -0.02 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.65 3hf9 n THR 158 Cb 0.49 -0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 68.15 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 -1.33 -0.34 0.22 3.42 5.75 -1.26 -4.41 116.55 118.59 3hf9 n ASP 159 Ca 0.00 -2.22 0.07 0.00 -0.01 0.00 0.00 54.79 52.63 3hf9 n ASP 159 Cb 0.27 0.92 0.50 0.00 -1.03 0.00 0.00 41.12 41.78 3hf9 n ASP 159 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3hf9 h GLY 160 N 1.13 0.00 0.71 6.12 0.00 -1.96 -1.97 103.07 107.09 3hf9 h GLY 160 Ca -0.13 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.07 3hf9 h GLY 160 CO 0.19 0.00 -0.48 -1.80 0.00 0.00 0.00 176.54 174.46 3hf9 h ASP 161 N 0.00 0.46 -0.34 0.19 -0.00 -1.99 -1.97 116.42 112.77 3hf9 h ASP 161 Ca -0.00 -0.73 -0.13 0.00 -0.00 0.00 0.00 57.03 56.16 3hf9 h ASP 161 Cb 0.55 -0.14 -0.01 0.00 -0.00 0.00 0.00 39.33 39.73 3hf9 h ASP 161 CO 0.03 1.13 -0.29 0.77 -0.00 0.00 0.00 179.24 180.88 3hf9 h SER 162 N -0.17 0.89 -0.67 2.28 4.64 -1.90 -2.24 113.55 116.38 3hf9 h SER 162 Ca -0.05 -0.36 0.12 0.00 -0.47 0.00 0.00 61.79 61.02 3hf9 h SER 162 Cb 1.18 -0.25 -0.08 0.00 -0.31 0.00 0.00 62.40 62.94 3hf9 h SER 162 CO 0.09 1.11 0.24 1.23 -0.87 0.00 0.00 176.83 178.64 3hf9 h GLY 163 N 0.90 0.95 1.01 -0.77 0.00 -1.39 0.24 103.07 104.01 3hf9 h GLY 163 Ca 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3hf9 h GLY 163 CO 0.07 -0.06 0.43 -2.00 0.00 0.00 0.00 176.54 174.97 3hf9 h LEU 164 N 0.40 0.90 -0.11 3.11 6.46 -1.16 -1.34 115.31 123.56 3hf9 h LEU 164 Ca 0.35 -0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 58.02 3hf9 h LEU 164 Cb 0.49 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.18 3hf9 h LEU 164 CO -0.36 0.72 0.03 -0.09 -0.62 0.00 0.00 178.44 178.12 3hf9 h ARG 165 N 1.01 0.18 -0.40 1.25 2.43 -0.57 -1.30 114.38 116.98 3hf9 h ARG 165 Ca 0.26 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.46 3hf9 h ARG 165 Cb -0.00 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.46 3hf9 h ARG 165 CO -0.05 0.33 0.04 0.28 -1.51 0.00 0.00 179.97 179.06 3hf9 h VAL 166 N -0.01 0.74 -0.58 0.20 2.07 -0.97 0.34 116.25 118.04 3hf9 h VAL 166 Ca 0.04 -0.05 0.09 0.00 0.82 0.00 0.00 66.70 67.59 3hf9 h VAL 166 Cb 0.23 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 3hf9 h VAL 166 CO -0.00 0.03 0.22 0.00 0.02 0.00 0.00 177.57 177.84 3hf9 h ALA 167 N 1.33 0.75 -0.39 1.67 0.00 -1.10 0.68 119.26 122.19 3hf9 h ALA 167 Ca 0.20 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 3hf9 h ALA 167 Cb 0.26 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hf9 h ALA 167 CO -0.30 -0.19 -0.26 0.28 0.00 0.00 0.00 179.25 178.78 3hf9 h VAL 168 N 0.40 1.27 -0.50 0.00 2.07 -0.42 -1.81 116.25 117.27 3hf9 h VAL 168 Ca 0.29 -1.41 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 3hf9 h VAL 168 Cb 0.34 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3hf9 h VAL 168 CO -0.29 0.47 0.12 -0.08 0.02 0.00 0.00 177.57 177.81 3hf9 h GLU 169 N 0.71 0.80 -0.53 1.57 4.81 0.07 0.28 114.58 122.27 3hf9 h GLU 169 Ca 0.09 -0.19 0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3hf9 h GLU 169 Cb 0.80 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.02 3hf9 h GLU 169 CO 0.07 0.77 0.24 0.00 -0.73 0.00 0.00 179.01 179.36 3hf9 h ALA 170 N 0.99 0.68 0.00 2.92 0.00 -0.74 0.24 119.26 123.35 3hf9 h ALA 170 Ca 0.16 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3hf9 h ALA 170 Cb 0.33 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hf9 h ALA 170 CO 0.00 -0.13 -0.22 -0.07 0.00 0.00 0.00 179.25 178.83 3hf9 h LEU 171 N 0.46 0.00 -0.27 0.00 3.38 -1.10 -0.44 115.31 117.34 3hf9 h LEU 171 Ca 0.25 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.08 3hf9 h LEU 171 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3hf9 h LEU 171 CO -0.21 0.22 -0.36 0.22 0.09 0.00 0.00 178.44 178.40 3hf9 h TYR 172 N 0.00 0.88 -0.34 1.13 3.20 0.55 -2.52 116.97 119.87 3hf9 h TYR 172 Ca -0.00 -0.29 -0.07 0.00 3.14 0.00 0.00 58.73 61.51 3hf9 h TYR 172 Cb 0.45 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 3hf9 h TYR 172 CO 0.00 1.05 -0.10 -0.44 -1.64 0.00 0.00 178.16 177.03 3hf9 h ASP 173 N 0.45 0.56 -0.43 -2.11 3.32 -0.22 -1.80 116.42 116.19 3hf9 h ASP 173 Ca 0.03 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 56.86 3hf9 h ASP 173 Cb 0.94 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 3hf9 h ASP 173 CO 0.08 0.70 -0.02 0.00 -1.72 0.00 0.00 179.24 178.29 3hf9 h ALA 174 N 1.36 0.59 0.00 3.45 0.00 -1.08 -2.77 119.26 120.81 3hf9 h ALA 174 Ca 0.10 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3hf9 h ALA 174 Cb 0.49 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hf9 h ALA 174 CO 0.03 0.39 -0.02 0.00 0.00 0.00 0.00 179.25 179.65 3hf9 h ALA 175 N 0.89 1.00 -0.02 0.00 0.00 -1.14 -1.26 119.26 118.73 3hf9 h ALA 175 Ca 0.12 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 3hf9 h ALA 175 Cb 0.51 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3hf9 h ALA 175 CO 0.03 0.02 -0.82 0.22 0.00 0.00 0.00 179.25 178.69 3hf9 h ASP 176 N 0.00 0.30 -0.00 0.00 3.58 -1.05 -3.32 116.42 115.93 3hf9 h ASP 176 Ca -0.00 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.22 3hf9 h ASP 176 Cb 0.59 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.55 3hf9 h ASP 176 CO 0.00 1.00 -0.43 0.47 -2.88 0.00 0.00 179.24 177.40 3hf9 n ASP 177 N -3.72 0.44 -4.04 2.28 8.00 -1.13 -4.94 116.55 113.44 3hf9 n ASP 177 Ca -0.04 -0.72 -0.27 0.00 0.71 0.00 0.00 54.79 54.47 3hf9 n ASP 177 Cb 0.77 0.99 -0.17 0.00 -0.02 0.00 0.00 41.12 42.70 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 -1.87 2.15 0.00 -2.24 2.15 -0.49 -5.03 116.67 111.35 3hf9 s ASP 178 Ca 0.04 -0.36 0.27 0.00 0.43 0.00 0.00 52.55 52.92 3hf9 s ASP 178 Cb 0.07 -0.96 0.90 0.00 -0.30 0.00 0.00 42.92 42.62 3hf9 s ASP 178 CO 0.38 0.02 1.69 -1.54 -0.17 0.00 0.00 175.17 175.55 3hf9 n SER 179 N 4.03 0.27 0.00 -0.34 3.41 -1.26 -3.28 113.62 116.45 3hf9 n SER 179 Ca -0.20 0.08 0.12 0.00 -0.26 0.00 0.00 58.87 58.60 3hf9 n SER 179 Cb 0.51 -0.12 0.23 0.00 -0.26 0.00 0.00 64.21 64.57 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 -1.46 3.61 -2.91 7.33 0.00 -1.26 -4.79 120.51 121.03 3hf9 n ALA 180 Ca 0.07 -0.36 -0.34 0.00 0.00 0.00 0.00 53.44 52.80 3hf9 n ALA 180 Cb 0.33 -1.10 -0.11 0.00 0.00 0.00 0.00 19.45 18.57 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 -3.00 4.37 0.12 0.00 2.01 -1.20 -4.67 115.64 113.26 3hf9 s THR 181 Ca 0.11 -0.18 -0.22 0.00 0.31 0.00 0.00 61.69 61.70 3hf9 s THR 181 Cb 0.17 -2.96 -0.07 0.00 0.01 0.00 0.00 72.50 69.65 3hf9 s THR 181 CO 0.71 0.46 0.68 -0.83 -0.69 0.00 0.00 174.62 174.94 3hf9 s GLY 182 N 0.55 2.79 0.50 4.40 0.00 -1.26 -4.47 107.32 109.83 3hf9 s GLY 182 Ca 0.01 0.20 -0.01 0.00 0.00 0.00 0.00 44.72 44.92 3hf9 s GLY 182 CO 0.02 0.66 0.69 0.61 0.00 0.00 0.00 173.10 175.08 3hf9 n GLY 183 N 1.61 0.53 3.65 0.20 0.00 -1.26 -4.59 105.19 105.33 3hf9 n GLY 183 Ca -0.08 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 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 -4.27 4.02 -0.58 1.61 0.02 -1.26 -4.91 135.00 129.62 3hf9 s PRO 184 Ca 0.45 1.91 -0.24 0.00 0.02 0.00 0.00 61.00 63.14 3hf9 s PRO 184 Cb -0.02 -3.98 0.05 0.00 0.02 0.00 0.00 34.50 30.56 3hf9 s PRO 184 CO 0.30 -1.02 0.96 0.34 -0.33 0.00 0.00 177.00 177.25 3hf9 s ASP 185 N 3.58 6.29 0.13 2.53 3.68 -0.80 -4.89 116.67 127.19 3hf9 s ASP 185 Ca 0.70 -0.50 0.00 0.00 2.13 0.00 0.00 52.55 54.88 3hf9 s ASP 185 Cb -0.28 -2.44 -0.10 0.00 -1.45 0.00 0.00 42.92 38.65 3hf9 s ASP 185 CO 0.27 -1.31 1.30 -0.07 0.13 0.00 0.00 175.17 175.50 3hf9 h LEU 186 N 11.16 0.32 -0.62 -1.34 3.38 -1.93 0.11 115.31 126.39 3hf9 h LEU 186 Ca -0.27 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.47 3hf9 h LEU 186 Cb 1.07 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 3hf9 h LEU 186 CO 1.12 1.12 0.35 0.58 0.09 0.00 0.00 178.44 181.70 3hf9 h VAL 187 N 0.11 1.00 -0.00 1.22 2.07 -1.98 -2.96 116.25 115.70 3hf9 h VAL 187 Ca -0.07 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3hf9 h VAL 187 Cb 1.65 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3hf9 h VAL 187 CO 0.15 0.12 -0.89 0.54 0.02 0.00 0.00 177.57 177.52 3hf9 n ARG 188 N -4.79 0.30 -3.06 1.57 1.74 -1.22 -4.99 116.66 106.21 3hf9 n ARG 188 Ca 0.07 -0.20 -0.13 0.00 -0.77 0.00 0.00 57.85 56.82 3hf9 n ARG 188 Cb 0.14 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 30.15 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 1.48 -0.10 3.24 -0.13 0.00 0.29 -5.03 105.19 104.93 3hf9 n GLY 189 Ca 0.05 -0.07 -0.33 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 -3.24 2.39 0.23 -0.61 1.01 -0.61 -5.02 121.20 115.36 3hf9 s ILE 190 Ca 0.11 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.92 3hf9 s ILE 190 Cb -0.05 -1.97 -0.05 0.00 0.01 0.00 0.00 42.46 40.40 3hf9 s ILE 190 CO 0.50 0.54 -0.03 -0.36 0.00 0.00 0.00 174.94 175.59 3hf9 s PHE 191 N 0.62 1.59 0.70 3.97 0.40 -1.26 -1.91 117.98 122.09 3hf9 s PHE 191 Ca -0.10 -0.84 -0.16 0.00 -0.60 0.00 0.00 56.93 55.22 3hf9 s PHE 191 Cb -0.16 -0.90 0.00 0.00 0.51 0.00 0.00 43.02 42.47 3hf9 s PHE 191 CO 0.03 0.05 1.03 -2.30 0.70 0.00 0.00 175.22 174.73 3hf9 n PRO 192 N -0.41 0.63 -3.48 0.24 -0.02 -1.26 -4.80 135.00 125.89 3hf9 n PRO 192 Ca -0.06 0.27 -0.34 0.00 -2.02 0.00 0.00 63.50 61.35 3hf9 n PRO 192 Cb 0.63 -2.27 -0.05 0.00 -0.02 0.00 0.00 33.50 31.78 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 -1.73 4.99 0.11 3.45 -4.23 -0.87 -4.92 115.64 112.43 3hf9 s THR 193 Ca 0.75 0.55 -0.01 0.00 -1.18 0.00 0.00 61.69 61.81 3hf9 s THR 193 Cb -0.36 -3.67 -0.04 0.00 1.34 0.00 0.00 72.50 69.77 3hf9 s THR 193 CO 0.48 0.19 0.02 0.00 -0.54 0.00 0.00 174.62 174.77 3hf9 s ALA 194 N -1.52 0.79 -0.01 3.99 0.00 -1.26 -1.31 121.76 122.43 3hf9 s ALA 194 Ca 0.38 -1.39 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 3hf9 s ALA 194 Cb -0.14 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.62 3hf9 s ALA 194 CO 0.20 -0.43 0.04 0.08 0.00 0.00 0.00 175.76 175.64 3hf9 s VAL 195 N -3.97 -0.00 -0.08 0.00 1.01 -0.06 -1.64 120.40 115.66 3hf9 s VAL 195 Ca 0.18 0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.22 3hf9 s VAL 195 Cb 0.07 -0.06 -0.00 0.00 0.00 0.00 0.00 36.38 36.39 3hf9 s VAL 195 CO -0.02 0.01 -0.23 -0.63 0.00 0.00 0.00 175.10 174.22 3hf9 s ILE 196 N 0.09 1.96 -0.17 2.22 1.01 -0.32 -1.42 121.20 124.57 3hf9 s ILE 196 Ca -0.01 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 59.65 3hf9 s ILE 196 Cb -0.01 -1.68 -0.00 0.00 0.01 0.00 0.00 42.46 40.78 3hf9 s ILE 196 CO -0.00 0.54 -0.13 -0.63 0.00 0.00 0.00 174.94 174.72 3hf9 s ILE 197 N 0.13 2.78 0.28 2.92 1.01 0.22 -1.21 121.20 127.34 3hf9 s ILE 197 Ca -0.11 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 59.84 3hf9 s ILE 197 Cb -0.16 -2.20 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 3hf9 s ILE 197 CO 0.06 0.50 0.10 -0.90 0.00 0.00 0.00 174.94 174.70 3hf9 n ASP 198 N 4.25 1.18 -0.23 3.58 3.85 -1.15 -1.80 116.55 126.23 3hf9 n ASP 198 Ca -0.19 -2.49 0.02 0.00 -0.71 0.00 0.00 54.79 51.43 3hf9 n ASP 198 Cb 0.51 0.70 0.26 0.00 -1.35 0.00 0.00 41.12 41.24 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 1.46 1.52 -0.65 2.12 0.00 -1.94 -1.57 119.26 120.20 3hf9 h ALA 199 Ca -0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3hf9 h ALA 199 Cb 0.83 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3hf9 h ALA 199 CO 0.35 0.41 0.34 -0.44 0.00 0.00 0.00 179.25 179.90 3hf9 h ASP 200 N 0.97 0.83 -2.88 0.00 3.45 -1.95 -3.49 116.42 113.35 3hf9 h ASP 200 Ca 0.31 -0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.65 3hf9 h ASP 200 Cb 0.02 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 38.58 3hf9 h ASP 200 CO -0.09 0.71 0.00 0.61 -1.57 0.00 0.00 179.24 178.90 3hf9 n GLY 201 N -1.01 0.62 3.74 2.75 0.00 -0.59 -5.05 105.19 105.65 3hf9 n GLY 201 Ca 0.05 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.32 3.37 -0.01 4.61 0.00 0.20 -2.94 121.76 125.68 3hf9 s ALA 202 Ca 0.00 0.82 -0.01 0.00 0.00 0.00 0.00 51.96 52.77 3hf9 s ALA 202 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3hf9 s ALA 202 CO 0.00 -0.17 0.02 0.08 0.00 0.00 0.00 175.76 175.68 3hf9 s VAL 203 N -0.47 -0.00 0.13 0.00 1.01 -0.35 -4.98 120.40 115.74 3hf9 s VAL 203 Ca 0.48 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 3hf9 s VAL 203 Cb -0.30 -0.04 -0.07 0.00 0.00 0.00 0.00 36.38 35.98 3hf9 s VAL 203 CO 0.36 0.01 1.18 -1.81 0.00 0.00 0.00 175.10 174.83 3hf9 s ASP 204 N 0.10 7.12 0.20 3.32 1.01 -1.26 -1.17 116.67 125.99 3hf9 s ASP 204 Ca -0.01 2.11 -0.30 0.00 0.71 0.00 0.00 52.55 55.06 3hf9 s ASP 204 Cb -0.01 -2.59 -0.08 0.00 1.01 0.00 0.00 42.92 41.25 3hf9 s ASP 204 CO -0.00 -0.38 1.05 -0.69 0.21 0.00 0.00 175.17 175.36 3hf9 s VAL 205 N 0.38 3.93 0.43 -1.27 1.01 -0.65 -4.91 120.40 119.32 3hf9 s VAL 205 Ca 0.55 1.75 -0.25 0.00 0.00 0.00 0.00 61.98 64.02 3hf9 s VAL 205 Cb -0.31 -4.12 -0.08 0.00 0.00 0.00 0.00 36.38 31.88 3hf9 s VAL 205 CO 0.33 0.34 1.33 -2.84 0.00 0.00 0.00 175.10 174.26 3hf9 s PRO 206 N -0.66 3.84 0.23 2.72 0.02 -1.26 -4.57 135.00 135.32 3hf9 s PRO 206 Ca 0.46 2.21 -0.07 0.00 0.02 0.00 0.00 61.00 63.63 3hf9 s PRO 206 Cb -0.28 -2.69 0.21 0.00 0.02 0.00 0.00 34.50 31.76 3hf9 s PRO 206 CO 0.35 -0.62 1.87 0.93 -0.33 0.00 0.00 177.00 179.19 3hf9 h GLU 207 N 2.49 1.23 -0.44 5.54 4.39 -1.95 -1.34 114.58 124.51 3hf9 h GLU 207 Ca -0.50 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.07 3hf9 h GLU 207 Cb 1.25 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.63 3hf9 h GLU 207 CO 0.62 0.88 0.24 0.77 -1.16 0.00 0.00 179.01 180.36 3hf9 h SER 208 N 1.24 0.55 -0.54 1.42 0.02 -1.99 0.43 113.55 114.69 3hf9 h SER 208 Ca 0.32 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.14 3hf9 h SER 208 Cb -0.02 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 3hf9 h SER 208 CO -0.06 0.48 0.20 -0.09 -1.14 0.00 0.00 176.83 176.23 3hf9 h ARG 209 N 0.58 0.81 -0.69 3.45 2.43 -1.86 -0.74 114.38 118.36 3hf9 h ARG 209 Ca 0.15 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3hf9 h ARG 209 Cb 0.06 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 3hf9 h ARG 209 CO -0.02 0.73 0.37 0.82 -1.51 0.00 0.00 179.97 180.35 3hf9 h ILE 210 N 0.73 1.22 -0.66 1.20 2.04 -0.83 -1.44 117.51 119.76 3hf9 h ILE 210 Ca 0.18 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 3hf9 h ILE 210 Cb 0.23 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 3hf9 h ILE 210 CO -0.01 0.24 0.29 0.00 0.00 0.00 0.00 178.15 178.67 3hf9 h ALA 211 N 1.18 0.86 -0.55 1.87 0.00 -0.49 -0.47 119.26 121.66 3hf9 h ALA 211 Ca 0.24 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3hf9 h ALA 211 Cb 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3hf9 h ALA 211 CO -0.04 0.45 0.22 0.93 0.00 0.00 0.00 179.25 180.81 3hf9 h GLU 212 N 0.93 0.82 -0.78 0.00 3.07 -0.67 -0.09 114.58 117.86 3hf9 h GLU 212 Ca 0.22 -0.15 -0.02 0.00 -0.50 0.00 0.00 59.36 58.91 3hf9 h GLU 212 Cb 0.17 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 27.91 3hf9 h GLU 212 CO -0.02 0.71 0.39 -0.07 -1.40 0.00 0.00 179.01 178.62 3hf9 h LEU 213 N 0.74 1.01 -0.59 1.33 3.38 -0.77 -0.58 115.31 119.84 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 0.20 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3hf9 h LEU 213 CO -0.02 0.85 0.27 0.00 0.09 0.00 0.00 178.44 179.63 3hf9 h ALA 214 N 1.20 0.76 -0.58 1.53 0.00 -0.66 -1.32 119.26 120.19 3hf9 h ALA 214 Ca 0.27 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3hf9 h ALA 214 Cb 0.10 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3hf9 h ALA 214 CO -0.04 0.34 0.11 0.00 0.00 0.00 0.00 179.25 179.66 3hf9 h ARG 215 N 0.80 0.91 -0.65 0.00 3.08 -0.62 -2.35 114.38 115.56 3hf9 h ARG 215 Ca 0.20 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3hf9 h ARG 215 Cb 0.14 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 3hf9 h ARG 215 CO -0.02 0.84 0.34 0.00 -1.07 0.00 0.00 179.97 180.05 3hf9 h ALA 216 N 1.25 0.83 -0.68 0.04 0.00 -0.57 -2.87 119.26 117.26 3hf9 h ALA 216 Ca 0.18 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3hf9 h ALA 216 Cb 0.36 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3hf9 h ALA 216 CO 0.00 0.37 0.22 0.82 0.00 0.00 0.00 179.25 180.67 3hf9 h ILE 217 N 0.89 1.25 0.00 0.00 2.04 -0.76 -2.18 117.51 118.76 3hf9 h ILE 217 Ca 0.23 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.23 3hf9 h ILE 217 Cb 0.08 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3hf9 h ILE 217 CO -0.03 0.33 0.00 -0.38 0.00 0.00 0.00 178.15 178.07 3hf9 n ILE 218 N -4.33 0.72 0.10 -0.67 5.41 -0.95 -2.32 119.36 117.32 3hf9 n ILE 218 Ca 0.05 0.18 0.01 0.00 1.00 0.00 0.00 62.75 63.99 3hf9 n ILE 218 Cb 0.21 -0.93 -0.02 0.00 -0.71 0.00 0.00 39.64 38.19 3hf9 n ILE 218 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3hf9 n GLU 219 N -1.35 4.50 0.36 0.38 -0.58 -1.10 -3.25 120.64 119.59 3hf9 n GLU 219 Ca 0.06 -0.01 -0.17 0.00 -0.42 0.00 0.00 57.16 56.62 3hf9 n GLU 219 Cb 0.13 -0.75 -0.09 0.00 -0.57 0.00 0.00 31.44 30.17 3hf9 n GLU 219 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3hf9 h SER 220 N 0.00 -0.75 -0.34 1.62 0.87 -0.98 -3.26 113.55 110.71 3hf9 h SER 220 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3hf9 h SER 220 Cb 0.08 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 3hf9 h SER 220 CO 0.00 -0.48 0.00 0.54 -0.53 0.00 0.00 176.83 176.36 3hf9 n ARG 221 N -5.44 2.79 0.00 2.24 1.74 -1.02 -5.12 116.66 111.84 3hf9 n ARG 221 Ca -0.13 -1.63 0.14 0.00 -0.77 0.00 0.00 57.85 55.45 3hf9 n ARG 221 Cb 0.37 -1.75 0.47 0.00 -1.02 0.00 0.00 32.46 30.53 3hf9 n ARG 221 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54