#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hfi s LYS 2 N 0.00 4.46 0.15 3.44 3.01 -1.26 -5.05 119.74 124.49 1hfi s LYS 2 Ca 0.00 1.20 0.06 0.00 -1.01 0.00 0.00 55.97 56.22 1hfi s LYS 2 Cb 0.00 -2.72 -0.04 0.00 -1.01 0.00 0.00 37.83 34.06 1hfi s LYS 2 CO 0.00 0.26 0.03 0.96 0.51 0.00 0.00 175.35 177.11 1hfi s ILE 3 N -1.69 3.99 0.82 2.17 -4.36 -1.26 -4.96 121.20 115.92 1hfi s ILE 3 Ca 0.51 -1.22 -0.11 0.00 -0.26 0.00 0.00 60.65 59.56 1hfi s ILE 3 Cb -0.17 -2.99 0.08 0.00 1.25 0.00 0.00 42.46 40.64 1hfi s ILE 3 CO 0.22 -0.05 1.09 -2.16 0.24 0.00 0.00 174.94 174.28 1hfi s PRO 4 N -2.82 1.90 0.35 0.37 0.04 -1.26 -1.72 135.00 131.86 1hfi s PRO 4 Ca 0.28 0.82 0.08 0.00 0.04 0.00 0.00 61.00 62.21 1hfi s PRO 4 Cb -0.10 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 1hfi s PRO 4 CO 0.20 -1.80 0.27 0.00 0.04 0.00 0.00 177.00 175.71 1hfi n SER 6 N -1.34 1.73 -3.03 0.00 2.88 -1.26 -0.70 113.62 111.90 1hfi n SER 6 Ca -0.01 -1.53 -0.38 0.00 -1.33 0.00 0.00 58.87 55.62 1hfi n SER 6 Cb 0.60 0.02 -0.05 0.00 -0.75 0.00 0.00 64.21 64.04 1hfi n SER 6 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hfi n GLN 7 N -0.69 0.00 -0.92 -1.46 1.13 -0.80 -4.71 117.38 109.93 1hfi n GLN 7 Ca -0.02 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.73 1hfi n GLN 7 Cb 0.17 -0.93 0.14 0.00 0.11 0.00 0.00 30.24 29.73 1hfi n GLN 7 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1hfi s PRO 8 N -0.17 1.50 1.34 -1.09 0.04 -1.26 -5.00 135.00 130.36 1hfi s PRO 8 Ca 0.57 1.40 -0.21 0.00 0.04 0.00 0.00 61.00 62.80 1hfi s PRO 8 Cb -0.80 -1.79 0.34 0.00 0.04 0.00 0.00 34.50 32.28 1hfi s PRO 8 CO 0.38 -2.25 0.98 -1.25 0.04 0.00 0.00 177.00 174.90 1hfi s PRO 9 N -4.75 -2.32 0.03 0.56 0.04 -1.26 -5.04 135.00 122.26 1hfi s PRO 9 Ca 0.65 0.20 0.07 0.00 0.04 0.00 0.00 61.00 61.96 1hfi s PRO 9 Cb -0.21 -1.44 -0.02 0.00 0.04 0.00 0.00 34.50 32.87 1hfi s PRO 9 CO 0.57 -4.49 -0.20 -0.65 0.04 0.00 0.00 177.00 172.27 1hfi s GLN 10 N -5.04 1.38 -0.31 4.56 1.11 -1.26 -4.75 119.66 115.35 1hfi s GLN 10 Ca 0.69 -0.89 -0.01 0.00 0.01 0.00 0.00 55.36 55.16 1hfi s GLN 10 Cb -0.14 -1.46 0.10 0.00 -1.01 0.00 0.00 33.01 30.50 1hfi s GLN 10 CO 0.59 0.38 0.10 0.96 0.01 0.00 0.00 175.29 177.32 1hfi s ILE 11 N -0.75 0.76 0.00 1.08 -4.36 -1.24 -5.09 121.20 111.61 1hfi s ILE 11 Ca 0.07 -1.32 0.00 0.00 -0.26 0.00 0.00 60.65 59.14 1hfi s ILE 11 Cb -0.08 -1.58 0.00 0.00 1.25 0.00 0.00 42.46 42.04 1hfi s ILE 11 CO 0.01 -0.68 0.00 -0.62 0.24 0.00 0.00 174.94 173.89 1hfi n GLU 12 N 4.90 0.00 0.00 0.37 1.02 -1.26 -1.53 120.64 124.14 1hfi n GLU 12 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1hfi n GLU 12 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 1hfi n GLU 12 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1hfi n HIS 13 N 0.00 0.00 -3.66 -0.32 8.25 -1.26 -4.59 115.22 113.64 1hfi n HIS 13 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 1hfi n HIS 13 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 1hfi n HIS 13 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1hfi s GLY 14 N -0.15 1.77 0.33 -1.41 0.00 -0.58 -4.26 107.32 103.02 1hfi s GLY 14 Ca 0.00 -1.62 0.05 0.00 0.00 0.00 0.00 44.72 43.15 1hfi s GLY 14 CO 0.00 -1.53 0.30 -0.51 0.00 0.00 0.00 173.10 171.37 1hfi s THR 15 N -2.29 0.00 0.65 0.90 -4.23 -0.72 -3.65 115.64 106.30 1hfi s THR 15 Ca 0.43 -1.93 -0.12 0.00 -1.18 0.00 0.00 61.69 58.88 1hfi s THR 15 Cb -0.07 -2.52 -0.02 0.00 1.34 0.00 0.00 72.50 71.23 1hfi s THR 15 CO 0.28 0.00 1.05 -0.51 -0.54 0.00 0.00 174.62 174.90 1hfi s ILE 16 N -3.40 4.09 -0.50 2.99 1.10 -1.26 -1.84 121.20 122.38 1hfi s ILE 16 Ca 0.39 0.78 0.07 0.00 -0.51 0.00 0.00 60.65 61.38 1hfi s ILE 16 Cb 0.02 -3.47 0.36 0.00 0.15 0.00 0.00 42.46 39.51 1hfi s ILE 16 CO 0.26 -0.79 0.91 -0.46 -2.11 0.00 0.00 174.94 172.75 1hfi n ASN 17 N -2.69 3.44 -0.09 4.50 2.04 -1.18 -4.75 115.26 116.53 1hfi n ASN 17 Ca 0.08 -3.48 -0.23 0.00 -0.44 0.00 0.00 54.58 50.51 1hfi n ASN 17 Cb 0.53 -0.56 -0.12 0.00 -2.53 0.00 0.00 39.78 37.10 1hfi n ASN 17 CO 0.00 0.00 0.00 -0.24 -0.44 0.00 0.00 177.26 176.58 1hfi n SER 18 N -0.13 1.97 0.00 0.53 2.88 -1.26 -4.78 113.62 112.83 1hfi n SER 18 Ca 0.29 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 1hfi n SER 18 Cb 0.51 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 1hfi n SER 18 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1hfi n SER 19 N -3.95 0.00 0.00 -3.46 3.41 -1.26 -5.06 113.62 103.30 1hfi n SER 19 Ca -0.39 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.22 1hfi n SER 19 Cb 0.88 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 1hfi n SER 19 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1hfi n ARG 20 N 0.00 0.00 -3.89 4.33 1.74 -1.26 -3.88 116.66 113.70 1hfi n ARG 20 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 1hfi n ARG 20 Cb 0.00 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.29 1hfi n ARG 20 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1hfi s SER 21 N -1.65 4.33 0.10 0.55 0.15 -1.26 -4.86 113.70 111.06 1hfi s SER 21 Ca 0.00 -1.80 0.00 0.00 0.70 0.00 0.00 55.95 54.85 1hfi s SER 21 Cb 0.00 -1.25 0.00 0.00 -1.71 0.00 0.00 66.02 63.06 1hfi s SER 21 CO 0.00 -0.37 0.00 -0.24 1.20 0.00 0.00 173.24 173.83 1hfi n SER 22 N 4.55 0.80 -4.24 5.45 2.88 -1.25 -5.10 113.62 116.72 1hfi n SER 22 Ca -0.01 0.14 -0.28 0.00 -1.33 0.00 0.00 58.87 57.39 1hfi n SER 22 Cb 0.42 -0.22 -0.06 0.00 -0.75 0.00 0.00 64.21 63.60 1hfi n SER 22 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hfi n GLN 23 N -3.39 0.79 -0.04 -1.46 6.02 -1.26 -5.07 117.38 112.97 1hfi n GLN 23 Ca 0.00 -3.35 -0.06 0.00 -0.01 0.00 0.00 57.00 53.59 1hfi n GLN 23 Cb 0.09 1.15 -0.03 0.00 1.02 0.00 0.00 30.24 32.46 1hfi n GLN 23 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1hfi n GLU 24 N -1.08 0.18 -4.39 -1.09 1.02 -1.26 -4.99 120.64 109.03 1hfi n GLU 24 Ca -0.15 0.05 -0.24 0.00 -0.02 0.00 0.00 57.16 56.79 1hfi n GLU 24 Cb 0.58 -1.08 -0.09 0.00 -0.02 0.00 0.00 31.44 30.83 1hfi n GLU 24 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1hfi s SER 25 N -4.87 3.92 0.37 1.62 0.15 -1.26 -1.90 113.70 111.73 1hfi s SER 25 Ca -0.10 -0.84 0.04 0.00 0.70 0.00 0.00 55.95 55.75 1hfi s SER 25 Cb 0.03 -0.50 -0.04 0.00 -1.71 0.00 0.00 66.02 63.79 1hfi s SER 25 CO 0.16 0.05 0.08 -0.31 1.20 0.00 0.00 173.24 174.42 1hfi s TYR 26 N -2.23 1.89 0.45 3.44 1.51 0.13 -4.95 117.35 117.58 1hfi s TYR 26 Ca 0.28 -1.09 0.08 0.00 -1.01 0.00 0.00 57.07 55.34 1hfi s TYR 26 Cb -0.06 -1.26 0.02 0.00 -0.11 0.00 0.00 41.96 40.55 1hfi s TYR 26 CO 0.16 -0.10 0.57 0.00 -1.11 0.00 0.00 175.55 175.08 1hfi s ALA 27 N -3.23 4.49 0.14 3.71 0.00 -1.26 -0.93 121.76 124.67 1hfi s ALA 27 Ca 0.29 -1.78 -0.30 0.00 0.00 0.00 0.00 51.96 50.17 1hfi s ALA 27 Cb 0.06 -1.47 -0.07 0.00 0.00 0.00 0.00 23.12 21.64 1hfi s ALA 27 CO 0.14 -0.38 1.15 -3.38 0.00 0.00 0.00 175.76 173.28 1hfi s HIS 28 N -2.44 3.51 0.00 0.00 -3.43 -1.26 -3.10 115.29 108.58 1hfi s HIS 28 Ca 0.54 1.48 0.00 0.00 -0.80 0.00 0.00 55.06 56.29 1hfi s HIS 28 Cb -0.08 -3.35 0.00 0.00 -1.43 0.00 0.00 32.58 27.73 1hfi s HIS 28 CO 0.33 -0.90 0.00 0.41 -2.00 0.00 0.00 174.74 172.57 1hfi n GLY 29 N 2.40 2.88 2.27 -1.38 0.00 -0.94 -5.04 105.19 105.39 1hfi n GLY 29 Ca 0.05 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 1hfi n GLY 29 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1hfi n THR 30 N 0.00 0.62 -3.86 2.61 -1.04 -1.18 -4.46 114.28 106.97 1hfi n THR 30 Ca 0.00 -0.15 -0.30 0.00 -2.04 0.00 0.00 64.05 61.56 1hfi n THR 30 Cb 0.00 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.35 1hfi n THR 30 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1hfi s LYS 31 N -0.31 1.22 0.21 -2.82 3.01 -1.26 -1.67 119.74 118.12 1hfi s LYS 31 Ca 0.52 -0.91 0.06 0.00 -1.01 0.00 0.00 55.97 54.62 1hfi s LYS 31 Cb -0.73 -2.41 -0.04 0.00 -1.01 0.00 0.00 37.83 33.64 1hfi s LYS 31 CO 0.37 -0.69 0.19 -0.51 0.51 0.00 0.00 175.35 175.22 1hfi s LEU 32 N 1.52 3.87 0.48 3.17 1.43 -0.29 -4.95 118.68 123.91 1hfi s LEU 32 Ca -0.01 -0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.01 1hfi s LEU 32 Cb -0.18 -2.44 0.02 0.00 0.03 0.00 0.00 46.19 43.62 1hfi s LEU 32 CO -0.10 0.01 0.47 -0.44 0.23 0.00 0.00 176.35 176.52 1hfi s SER 33 N -3.51 4.97 0.30 2.29 0.01 -1.26 -0.89 113.70 115.61 1hfi s SER 33 Ca 0.32 -0.89 0.08 0.00 1.31 0.00 0.00 55.95 56.77 1hfi s SER 33 Cb -0.09 -0.13 -0.06 0.00 0.21 0.00 0.00 66.02 65.95 1hfi s SER 33 CO 0.25 -0.92 -0.07 -0.31 0.41 0.00 0.00 173.24 172.60 1hfi s TYR 34 N -2.59 2.11 -0.04 2.43 2.02 -0.32 -3.12 117.35 117.83 1hfi s TYR 34 Ca 0.47 -0.62 -0.11 0.00 -0.37 0.00 0.00 57.07 56.44 1hfi s TYR 34 Cb -0.04 -1.20 0.02 0.00 -0.40 0.00 0.00 41.96 40.34 1hfi s TYR 34 CO 0.28 0.39 0.24 0.99 -1.57 0.00 0.00 175.55 175.89 1hfi s THR 35 N -2.87 0.04 0.32 -0.71 2.01 -0.76 -4.80 115.64 108.87 1hfi s THR 35 Ca 0.31 -0.34 0.10 0.00 0.31 0.00 0.00 61.69 62.06 1hfi s THR 35 Cb 0.03 -0.47 -0.05 0.00 0.01 0.00 0.00 72.50 72.02 1hfi s THR 35 CO 0.14 -0.19 -0.04 0.00 -0.69 0.00 0.00 174.62 173.83 1hfi n GLU 37 N -0.87 -1.30 -2.32 0.00 1.02 -1.26 -4.78 120.64 111.14 1hfi n GLU 37 Ca -0.05 -0.37 -0.35 0.00 -0.02 0.00 0.00 57.16 56.38 1hfi n GLU 37 Cb 0.62 -1.59 -0.03 0.00 -0.02 0.00 0.00 31.44 30.41 1hfi n GLU 37 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1hfi s GLY 38 N -1.71 0.85 0.00 0.62 0.00 -1.26 -2.69 107.32 103.12 1hfi s GLY 38 Ca 0.53 -2.38 0.00 0.00 0.00 0.00 0.00 44.72 42.87 1hfi s GLY 38 CO 0.66 3.14 0.00 0.61 0.00 0.00 0.00 173.10 177.51 1hfi n GLY 39 N 5.91 0.32 3.42 0.20 0.00 -1.26 -5.16 105.19 108.63 1hfi n GLY 39 Ca 0.44 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.18 1hfi n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hfi s PHE 40 N -0.36 2.38 0.02 1.61 0.40 -1.10 -5.10 117.98 115.84 1hfi s PHE 40 Ca 0.00 -0.34 0.03 0.00 -0.60 0.00 0.00 56.93 56.01 1hfi s PHE 40 Cb 0.00 -1.26 -0.04 0.00 0.51 0.00 0.00 43.02 42.23 1hfi s PHE 40 CO 0.00 0.37 -0.01 1.03 0.70 0.00 0.00 175.22 177.31 1hfi s ARG 41 N -2.16 2.68 0.12 0.44 1.81 -1.25 -4.84 118.95 115.75 1hfi s ARG 41 Ca 0.16 -0.69 0.05 0.00 -1.72 0.00 0.00 55.73 53.54 1hfi s ARG 41 Cb -0.10 -2.60 -0.04 0.00 -0.45 0.00 0.00 34.95 31.76 1hfi s ARG 41 CO 0.08 0.60 0.02 -1.50 -0.68 0.00 0.00 175.30 173.82 1hfi s ILE 42 N -1.11 4.05 0.99 1.52 1.10 -1.26 -0.46 121.20 126.02 1hfi s ILE 42 Ca 0.20 -1.08 -0.12 0.00 -0.51 0.00 0.00 60.65 59.14 1hfi s ILE 42 Cb -0.11 -2.97 0.18 0.00 0.15 0.00 0.00 42.46 39.70 1hfi s ILE 42 CO 0.11 0.04 1.08 -0.44 -2.11 0.00 0.00 174.94 173.63 1hfi s SER 43 N -2.56 2.65 0.31 4.50 0.01 -0.95 -4.90 113.70 112.75 1hfi s SER 43 Ca 0.27 1.40 -0.15 0.00 1.31 0.00 0.00 55.95 58.78 1hfi s SER 43 Cb -0.11 -2.08 -0.11 0.00 0.21 0.00 0.00 66.02 63.93 1hfi s SER 43 CO 0.19 -3.15 0.02 -0.62 0.41 0.00 0.00 173.24 170.09 1hfi n GLU 44 N -4.21 0.00 -1.96 12.44 1.02 -1.26 -4.26 120.64 122.41 1hfi n GLU 44 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1hfi n GLU 44 Cb 0.56 -0.72 0.00 0.00 -0.02 0.00 0.00 31.44 31.26 1hfi n GLU 44 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1hfi n GLU 45 N 0.99 -0.76 -2.27 3.49 1.02 -1.26 -4.77 120.64 117.08 1hfi n GLU 45 Ca 0.07 0.75 -0.43 0.00 -0.02 0.00 0.00 57.16 57.54 1hfi n GLU 45 Cb 0.30 -0.53 0.00 0.00 -0.02 0.00 0.00 31.44 31.20 1hfi n GLU 45 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1hfi n ASN 46 N 1.91 4.59 -3.81 1.62 0.23 -1.26 -4.82 115.26 113.72 1hfi n ASN 46 Ca 0.00 -2.92 -0.12 0.00 -0.53 0.00 0.00 54.58 51.01 1hfi n ASN 46 Cb 0.03 -1.66 -0.09 0.00 -2.08 0.00 0.00 39.78 35.99 1hfi n ASN 46 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1hfi s GLU 47 N 2.99 0.65 -0.01 -3.83 2.12 -1.26 -1.18 118.70 118.18 1hfi s GLU 47 Ca 0.48 -0.41 0.02 0.00 0.36 0.00 0.00 54.97 55.42 1hfi s GLU 47 Cb 0.08 0.28 -0.01 0.00 0.26 0.00 0.00 34.13 34.74 1hfi s GLU 47 CO -0.00 -0.18 -0.08 -0.08 -0.54 0.00 0.00 175.26 174.38 1hfi s THR 48 N -1.86 0.59 0.21 -1.70 -1.32 -0.06 -4.57 115.64 106.93 1hfi s THR 48 Ca -0.10 -0.33 0.10 0.00 -1.21 0.00 0.00 61.69 60.14 1hfi s THR 48 Cb -0.04 -0.50 -0.05 0.00 -1.51 0.00 0.00 72.50 70.40 1hfi s THR 48 CO 0.00 0.16 -0.18 -0.89 -2.21 0.00 0.00 174.62 171.50 1hfi s THR 49 N -0.19 2.03 -0.08 5.08 2.01 -1.26 -1.13 115.64 122.10 1hfi s THR 49 Ca 0.03 -2.16 0.01 0.00 0.31 0.00 0.00 61.69 59.88 1hfi s THR 49 Cb -0.03 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 1hfi s THR 49 CO -0.00 -0.41 -0.09 0.00 -0.69 0.00 0.00 174.62 173.43 1hfi s TYR 51 N -0.53 0.78 -0.04 0.00 5.04 -0.10 -2.21 117.35 120.29 1hfi s TYR 51 Ca 0.08 -0.16 -0.01 0.00 -2.44 0.00 0.00 57.07 54.54 1hfi s TYR 51 Cb -0.12 -0.52 0.00 0.00 0.35 0.00 0.00 41.96 41.68 1hfi s TYR 51 CO 0.02 -0.03 0.04 -1.33 -1.34 0.00 0.00 175.55 172.91 1hfi n MET 52 N 2.99 -0.11 -2.84 4.97 2.81 -1.26 -0.27 117.12 123.40 1hfi n MET 52 Ca -0.15 0.07 -0.09 0.00 -1.81 0.00 0.00 57.70 55.73 1hfi n MET 52 Cb 0.56 -0.14 -0.01 0.00 -0.71 0.00 0.00 33.22 32.93 1hfi n MET 52 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1hfi n GLY 53 N -0.30 -0.48 3.10 3.03 0.00 -0.70 -4.84 105.19 105.00 1hfi n GLY 53 Ca -0.01 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1hfi n GLY 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1hfi s LYS 54 N -5.38 0.65 0.51 1.61 2.20 0.62 -4.49 119.74 115.46 1hfi s LYS 54 Ca 0.14 -1.01 0.08 0.00 -0.36 0.00 0.00 55.97 54.82 1hfi s LYS 54 Cb -0.08 -0.21 0.04 0.00 -1.51 0.00 0.00 37.83 36.06 1hfi s LYS 54 CO 0.18 0.01 0.54 -1.58 -0.36 0.00 0.00 175.35 174.14 1hfi s TRP 55 N -2.42 1.91 -0.01 4.03 0.52 -1.26 -0.92 118.94 120.79 1hfi s TRP 55 Ca -0.01 -0.68 0.02 0.00 0.02 0.00 0.00 56.10 55.45 1hfi s TRP 55 Cb -0.03 -2.11 -0.03 0.00 -1.15 0.00 0.00 33.47 30.14 1hfi s TRP 55 CO -0.02 -0.61 -0.02 0.45 0.02 0.00 0.00 176.95 176.76 1hfi s SER 56 N -4.38 4.95 -0.15 2.95 0.15 -0.06 -4.86 113.70 112.31 1hfi s SER 56 Ca 0.48 -0.04 -0.01 0.00 0.70 0.00 0.00 55.95 57.08 1hfi s SER 56 Cb -0.04 -1.26 -0.05 0.00 -1.71 0.00 0.00 66.02 62.96 1hfi s SER 56 CO 0.30 0.29 0.37 -1.20 1.20 0.00 0.00 173.24 174.19 1hfi n SER 57 N 1.52 -0.32 -4.72 5.45 7.64 -1.26 -4.59 113.62 117.34 1hfi n SER 57 Ca -0.15 -0.16 -0.33 0.00 1.01 0.00 0.00 58.87 59.24 1hfi n SER 57 Cb 0.53 -0.11 0.10 0.00 -1.01 0.00 0.00 64.21 63.72 1hfi n SER 57 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1hfi s PRO 58 N 1.28 1.99 1.14 1.43 0.04 -1.26 -4.99 135.00 134.64 1hfi s PRO 58 Ca 0.19 1.66 -0.16 0.00 0.04 0.00 0.00 61.00 62.74 1hfi s PRO 58 Cb -0.12 -1.83 0.26 0.00 0.04 0.00 0.00 34.50 32.85 1hfi s PRO 58 CO 0.08 -1.93 1.07 -1.25 0.04 0.00 0.00 177.00 175.02 1hfi s PRO 59 N -4.12 -0.73 0.20 0.56 0.04 -1.26 -5.07 135.00 124.62 1hfi s PRO 59 Ca 0.72 0.33 0.05 0.00 0.04 0.00 0.00 61.00 62.13 1hfi s PRO 59 Cb -0.27 -1.62 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 1hfi s PRO 59 CO 0.48 -3.47 -0.08 -1.14 0.04 0.00 0.00 177.00 172.83 1hfi s GLN 60 N -5.03 1.25 -0.19 4.56 0.74 -1.26 -4.91 119.66 114.82 1hfi s GLN 60 Ca 0.68 -1.58 -0.07 0.00 0.05 0.00 0.00 55.36 54.44 1hfi s GLN 60 Cb -0.16 -0.80 -0.04 0.00 1.10 0.00 0.00 33.01 33.11 1hfi s GLN 60 CO 0.58 0.05 0.06 0.00 -0.55 0.00 0.00 175.29 175.43