#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fif s SER 3 N 0.00 6.64 0.21 6.43 1.04 -1.26 -4.62 113.70 122.14 3fif s SER 3 Ca 0.00 0.76 -0.28 0.00 0.48 0.00 0.00 55.95 56.90 3fif s SER 3 Cb 0.00 -2.17 -0.09 0.00 0.10 0.00 0.00 66.02 63.86 3fif s SER 3 CO 0.00 0.33 0.89 -1.81 0.98 0.00 0.00 173.24 173.62 3fif s ASP 4 N -1.20 7.56 0.16 7.02 1.01 -1.07 -4.83 116.67 125.33 3fif s ASP 4 Ca 0.23 1.85 0.06 0.00 0.71 0.00 0.00 52.55 55.40 3fif s ASP 4 Cb -0.15 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.17 3fif s ASP 4 CO 0.11 0.17 0.05 -0.31 0.21 0.00 0.00 175.17 175.41 3fif s TYR 5 N -1.16 2.97 0.00 4.23 1.51 -1.26 -0.36 117.35 123.29 3fif s TYR 5 Ca 0.39 -0.08 0.00 0.00 -1.01 0.00 0.00 57.07 56.37 3fif s TYR 5 Cb -0.25 -1.45 0.00 0.00 -0.11 0.00 0.00 41.96 40.15 3fif s TYR 5 CO 0.30 0.51 0.00 0.28 -1.11 0.00 0.00 175.55 175.54 3fif n VAL 6 N -0.12 0.00 -3.63 0.71 0.31 -0.33 -2.60 118.33 112.67 3fif n VAL 6 Ca -0.09 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.19 3fif n VAL 6 Cb 0.55 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.41 3fif n VAL 6 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fif s ALA 8 N -2.00 -1.58 0.21 3.52 0.00 0.05 -1.00 121.76 120.96 3fif s ALA 8 Ca 0.00 1.87 -0.05 0.00 0.00 0.00 0.00 51.96 53.78 3fif s ALA 8 Cb 0.00 -1.56 -0.06 0.00 0.00 0.00 0.00 23.12 21.50 3fif s ALA 8 CO 0.00 -0.86 0.47 0.95 0.00 0.00 0.00 175.76 176.31 3fif s THR 9 N 2.74 5.08 -1.71 0.00 -4.23 -1.26 0.19 115.64 116.46 3fif s THR 9 Ca -0.02 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 3fif s THR 9 Cb -0.12 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.05 3fif s THR 9 CO -0.16 -0.12 0.49 2.29 -0.54 0.00 0.00 174.62 176.57 3fif n LYS 10 N -0.38 0.57 -0.20 3.99 2.85 0.21 -1.04 118.16 124.16 3fif n LYS 10 Ca -0.02 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.33 3fif n LYS 10 Cb 0.53 -1.08 0.15 0.00 -0.65 0.00 0.00 35.03 33.97 3fif n LYS 10 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3fif n ASP 11 N -0.29 2.14 -3.81 -5.58 5.68 -1.26 -5.02 116.55 108.41 3fif n ASP 11 Ca 0.00 -3.20 -0.25 0.00 -0.50 0.00 0.00 54.79 50.84 3fif n ASP 11 Cb 0.04 -0.44 0.01 0.00 -1.14 0.00 0.00 41.12 39.59 3fif n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fif n GLY 12 N -1.31 -0.43 0.00 6.12 0.00 -0.20 -5.19 105.19 104.17 3fif n GLY 12 Ca 0.16 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.40 3fif n GLY 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3fif n ARG 13 N -4.30 0.00 -3.67 1.61 0.63 -1.26 -4.98 116.66 104.69 3fif n ARG 13 Ca -0.26 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.49 3fif n ARG 13 Cb 0.66 0.00 -0.17 0.00 0.45 0.00 0.00 32.46 33.41 3fif n ARG 13 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3fif s ILE 15 N 1.03 -0.18 0.31 5.15 1.01 -1.26 -4.95 121.20 122.31 3fif s ILE 15 Ca 0.00 0.38 -0.20 0.00 0.00 0.00 0.00 60.65 60.82 3fif s ILE 15 Cb 0.00 -0.22 -0.09 0.00 0.01 0.00 0.00 42.46 42.15 3fif s ILE 15 CO 0.00 0.16 0.83 -0.76 0.00 0.00 0.00 174.94 175.16 3fif s LEU 16 N 2.15 4.20 0.41 2.97 1.43 -1.26 -4.48 118.68 124.10 3fif s LEU 16 Ca 0.03 1.54 0.04 0.00 -1.03 0.00 0.00 54.13 54.71 3fif s LEU 16 Cb -0.12 -3.99 -0.02 0.00 0.03 0.00 0.00 46.19 42.08 3fif s LEU 16 CO -0.04 -0.12 0.12 0.42 0.23 0.00 0.00 176.35 176.96 3fif s THR 17 N -1.78 0.63 -0.31 5.49 -4.23 -1.07 -4.55 115.64 109.83 3fif s THR 17 Ca 0.51 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.04 3fif s THR 17 Cb -0.14 -2.35 0.09 0.00 1.34 0.00 0.00 72.50 71.44 3fif s THR 17 CO 0.19 0.00 0.04 -0.62 -0.54 0.00 0.00 174.62 173.69 3fif s ASP 18 N -3.62 4.31 0.00 3.99 2.15 -0.13 -4.58 116.67 118.80 3fif s ASP 18 Ca 0.23 -1.75 0.00 0.00 0.43 0.00 0.00 52.55 51.46 3fif s ASP 18 Cb 0.03 -1.27 0.00 0.00 -0.30 0.00 0.00 42.92 41.37 3fif s ASP 18 CO 0.14 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.39 3fif n GLY 19 N 4.55 0.17 3.69 2.66 0.00 -1.26 -4.23 105.19 110.76 3fif n GLY 19 Ca -0.02 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 3fif n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fif s LYS 20 N -2.57 4.27 0.23 1.61 2.20 -1.26 -4.66 119.74 119.57 3fif s LYS 20 Ca 0.00 2.07 -0.30 0.00 -0.36 0.00 0.00 55.97 57.38 3fif s LYS 20 Cb 0.00 -3.51 -0.10 0.00 -1.51 0.00 0.00 37.83 32.71 3fif s LYS 20 CO 0.00 -0.58 1.42 -2.14 -0.36 0.00 0.00 175.35 173.68 3fif s PRO 21 N 2.19 4.29 -0.34 4.03 0.02 -1.26 -4.96 135.00 138.96 3fif s PRO 21 Ca 0.66 2.25 -0.19 0.00 0.02 0.00 0.00 61.00 63.75 3fif s PRO 21 Cb -0.34 -3.13 -0.00 0.00 0.02 0.00 0.00 34.50 31.04 3fif s PRO 21 CO 0.29 -0.40 0.55 -1.21 -0.33 0.00 0.00 177.00 175.90 3fif s GLU 22 N -0.22 3.68 -0.45 5.54 2.02 0.41 -4.90 118.70 124.78 3fif s GLU 22 Ca 0.59 -0.04 -0.22 0.00 0.02 0.00 0.00 54.97 55.32 3fif s GLU 22 Cb -0.41 -3.79 0.03 0.00 0.10 0.00 0.00 34.13 30.06 3fif s GLU 22 CO 0.41 -0.65 0.73 0.42 0.02 0.00 0.00 175.26 176.20 3fif s ILE 23 N 2.49 4.72 -0.74 -1.63 1.01 -1.26 -0.25 121.20 125.53 3fif s ILE 23 Ca 0.21 0.24 -0.17 0.00 0.00 0.00 0.00 60.65 60.92 3fif s ILE 23 Cb -0.15 -4.29 0.15 0.00 0.01 0.00 0.00 42.46 38.18 3fif s ILE 23 CO 0.13 -0.70 0.81 -0.62 0.00 0.00 0.00 174.94 174.57 3fif s ASP 24 N 2.16 6.46 0.61 3.58 3.68 -0.11 -4.88 116.67 128.16 3fif s ASP 24 Ca 0.26 -1.97 0.32 0.00 2.13 0.00 0.00 52.55 53.30 3fif s ASP 24 Cb -0.13 -2.29 1.91 0.00 -1.45 0.00 0.00 42.92 40.95 3fif s ASP 24 CO 0.20 -0.93 2.25 0.44 0.13 0.00 0.00 175.17 177.26 3fif h ASP 25 N 8.68 0.00 1.02 -0.34 3.45 -1.95 0.49 116.42 127.76 3fif h ASP 25 Ca -0.07 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.39 3fif h ASP 25 Cb 1.06 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.83 3fif h ASP 25 CO 1.00 0.00 -0.07 0.47 -1.57 0.00 0.00 179.24 179.07 3fif n ASP 26 N -3.69 0.19 0.00 6.45 8.00 -1.26 -3.98 116.55 122.26 3fif n ASP 26 Ca -0.02 0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.90 3fif n ASP 26 Cb 0.12 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 3fif n ASP 26 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3fif n THR 27 N -1.63 0.00 -2.39 -3.53 -2.24 -0.80 -5.04 114.28 98.65 3fif n THR 27 Ca 0.07 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.81 3fif n THR 27 Cb 0.36 0.18 0.01 0.00 -2.10 0.00 0.00 70.33 68.77 3fif n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fif n GLY 28 N 1.45 0.52 3.03 3.38 0.00 0.16 -5.04 105.19 108.69 3fif n GLY 28 Ca 0.00 -0.64 -0.17 0.00 0.00 0.00 0.00 46.02 45.21 3fif n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fif s LEU 29 N -1.45 2.07 -0.24 0.99 1.43 -1.15 -2.36 118.68 117.97 3fif s LEU 29 Ca 0.05 -0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 52.83 3fif s LEU 29 Cb -0.02 -0.38 -0.03 0.00 0.03 0.00 0.00 46.19 45.79 3fif s LEU 29 CO 0.06 0.04 0.06 -0.69 0.23 0.00 0.00 176.35 176.04 3fif s VAL 30 N -0.46 4.22 -0.03 -1.59 1.01 0.80 -0.93 120.40 123.42 3fif s VAL 30 Ca 0.01 -0.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 3fif s VAL 30 Cb -0.05 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 3fif s VAL 30 CO 0.00 0.35 0.23 -0.44 0.00 0.00 0.00 175.10 175.24 3fif s SER 31 N 1.58 6.48 0.12 3.32 0.01 0.65 -1.77 113.70 124.08 3fif s SER 31 Ca 0.06 0.54 -0.25 0.00 1.31 0.00 0.00 55.95 57.62 3fif s SER 31 Cb -0.15 -2.09 0.08 0.00 0.21 0.00 0.00 66.02 64.07 3fif s SER 31 CO 0.03 0.31 0.68 -0.72 0.41 0.00 0.00 173.24 173.95 3fif s TYR 32 N -1.21 -0.48 -0.15 2.43 -0.85 -1.26 -0.44 117.35 115.39 3fif s TYR 32 Ca 0.24 0.28 -0.06 0.00 -0.52 0.00 0.00 57.07 57.00 3fif s TYR 32 Cb -0.13 0.56 -0.04 0.00 0.38 0.00 0.00 41.96 42.73 3fif s TYR 32 CO 0.13 -0.78 0.06 -1.01 -1.52 0.00 0.00 175.55 172.44 3fif s HIS 33 N -3.58 3.30 0.00 -3.49 3.76 -1.26 -4.50 115.29 109.52 3fif s HIS 33 Ca 0.02 0.18 0.00 0.00 -0.15 0.00 0.00 55.06 55.12 3fif s HIS 33 Cb -0.01 -2.00 0.00 0.00 1.11 0.00 0.00 32.58 31.68 3fif s HIS 33 CO -0.11 0.33 0.00 -0.40 -0.85 0.00 0.00 174.74 173.70 3fif n ASP 34 N 2.97 0.00 -0.76 1.40 5.68 -0.96 -0.95 116.55 123.92 3fif n ASP 34 Ca -0.18 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.22 3fif n ASP 34 Cb 0.53 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.81 3fif n ASP 34 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fif n GLN 35 N 0.00 1.98 0.00 0.11 6.02 -1.26 -3.16 117.38 121.08 3fif n GLN 35 Ca 0.00 -1.49 0.10 0.00 -0.01 0.00 0.00 57.00 55.59 3fif n GLN 35 Cb 0.00 -1.41 0.06 0.00 1.02 0.00 0.00 30.24 29.91 3fif n GLN 35 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 3fif n GLN 36 N 0.71 1.68 0.00 -1.09 -0.06 -1.26 -4.97 117.38 112.39 3fif n GLN 36 Ca 0.17 -1.50 0.00 0.00 -2.00 0.00 0.00 57.00 53.66 3fif n GLN 36 Cb 0.41 -1.37 0.00 0.00 -4.06 0.00 0.00 30.24 25.22 3fif n GLN 36 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3fif n GLY 37 N 1.13 2.44 3.75 1.69 0.00 -1.19 -5.02 105.19 107.99 3fif n GLY 37 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3fif n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fif n ASN 38 N 0.00 3.02 -4.87 1.61 3.02 -1.26 -4.70 115.26 112.08 3fif n ASN 38 Ca 0.00 1.07 -0.31 0.00 -0.03 0.00 0.00 54.58 55.31 3fif n ASN 38 Cb 0.00 -1.58 0.00 0.00 -0.61 0.00 0.00 39.78 37.59 3fif n ASN 38 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fif s ALA 39 N -1.22 3.09 -0.22 5.41 0.00 -1.26 -2.28 121.76 125.29 3fif s ALA 39 Ca 0.64 -0.06 -0.27 0.00 0.00 0.00 0.00 51.96 52.28 3fif s ALA 39 Cb -0.45 -3.09 0.11 0.00 0.00 0.00 0.00 23.12 19.70 3fif s ALA 39 CO 0.55 -0.63 0.95 -0.65 0.00 0.00 0.00 175.76 175.97 3fif s GLN 41 N -5.04 0.63 -0.01 0.00 -0.21 -1.26 -4.99 119.66 108.78 3fif s GLN 41 Ca 0.55 0.46 -0.02 0.00 0.02 0.00 0.00 55.36 56.38 3fif s GLN 41 Cb -0.11 0.30 0.00 0.00 1.00 0.00 0.00 33.01 34.21 3fif s GLN 41 CO 0.51 -0.13 0.04 -1.50 -2.12 0.00 0.00 175.29 172.09 3fif s ILE 42 N -0.34 0.02 0.27 1.08 2.07 -0.73 -4.98 121.20 118.60 3fif s ILE 42 Ca -0.00 -0.20 -0.31 0.00 -1.41 0.00 0.00 60.65 58.73 3fif s ILE 42 Cb -0.03 -0.13 -0.13 0.00 0.13 0.00 0.00 42.46 42.30 3fif s ILE 42 CO -0.01 -0.11 1.45 0.59 -1.91 0.00 0.00 174.94 174.95 3fif n ASN 43 N 2.70 3.09 -0.20 4.50 4.13 -1.26 -0.14 115.26 128.08 3fif n ASN 43 Ca -0.15 1.15 -0.04 0.00 1.68 0.00 0.00 54.58 57.23 3fif n ASN 43 Cb 0.59 -1.48 0.15 0.00 -1.54 0.00 0.00 39.78 37.49 3fif n ASN 43 CO 0.00 0.00 0.00 -0.09 0.28 0.00 0.00 177.26 177.45 3fif h ARG 44 N 4.23 0.98 -0.64 3.52 2.43 -1.78 -1.82 114.38 121.30 3fif h ARG 44 Ca -0.46 -0.18 0.19 0.00 -0.81 0.00 0.00 59.98 58.72 3fif h ARG 44 Cb 1.26 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.63 3fif h ARG 44 CO 0.76 0.82 0.54 0.22 -1.51 0.00 0.00 179.97 180.79 3fif h ASP 45 N 0.95 0.00 0.74 -3.80 -0.00 -1.89 0.25 116.42 112.68 3fif h ASP 45 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.25 3fif h ASP 45 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.55 3fif h ASP 45 CO -0.01 0.00 -0.22 0.47 -0.00 0.00 0.00 179.24 179.48 3fif n ASP 46 N -4.01 0.25 -4.74 2.28 10.43 -0.68 -4.84 116.55 115.22 3fif n ASP 46 Ca 0.13 0.11 -0.36 0.00 2.57 0.00 0.00 54.79 57.23 3fif n ASP 46 Cb 0.78 -0.15 -0.07 0.00 1.84 0.00 0.00 41.12 43.52 3fif n ASP 46 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3fif s VAL 47 N -2.96 5.36 -0.18 2.53 1.01 0.88 -0.62 120.40 126.42 3fif s VAL 47 Ca 0.14 0.37 0.06 0.00 0.00 0.00 0.00 61.98 62.54 3fif s VAL 47 Cb 0.18 -3.54 -0.15 0.00 0.00 0.00 0.00 36.38 32.87 3fif s VAL 47 CO 0.60 0.43 -0.09 -1.20 0.00 0.00 0.00 175.10 174.84 3fif n SER 48 N 3.39 2.02 -3.73 3.32 7.64 0.13 -4.83 113.62 121.56 3fif n SER 48 Ca -0.14 -0.07 -0.13 0.00 1.01 0.00 0.00 58.87 59.54 3fif n SER 48 Cb 0.52 0.14 -0.14 0.00 -1.01 0.00 0.00 64.21 63.72 3fif n SER 48 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3fif s GLN 49 N -2.38 0.15 -0.35 1.43 -0.21 -0.93 -4.98 119.66 112.39 3fif s GLN 49 Ca -0.19 0.49 -0.12 0.00 0.02 0.00 0.00 55.36 55.56 3fif s GLN 49 Cb 0.06 -0.15 0.00 0.00 1.00 0.00 0.00 33.01 33.92 3fif s GLN 49 CO 0.52 -0.18 0.22 0.42 -2.12 0.00 0.00 175.29 174.15 3fif s ILE 50 N 1.37 4.95 -0.22 1.08 -1.09 -1.26 -0.77 121.20 125.25 3fif s ILE 50 Ca -0.08 -0.49 -0.06 0.00 -2.23 0.00 0.00 60.65 57.79 3fif s ILE 50 Cb -0.11 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.12 3fif s ILE 50 CO -0.07 -0.09 0.03 -0.63 -1.23 0.00 0.00 174.94 172.95 3fif s ILE 51 N 1.65 4.14 -0.23 2.92 1.01 -0.17 -4.97 121.20 125.56 3fif s ILE 51 Ca 0.05 -0.24 -0.12 0.00 0.00 0.00 0.00 60.65 60.34 3fif s ILE 51 Cb -0.18 -2.90 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 3fif s ILE 51 CO 0.08 0.39 0.21 -0.70 0.00 0.00 0.00 174.94 174.93 3fif s GLU 52 N 1.26 4.11 -0.49 2.79 2.12 -1.26 -1.19 118.70 126.05 3fif s GLU 52 Ca 0.04 -0.15 -0.16 0.00 0.36 0.00 0.00 54.97 55.06 3fif s GLU 52 Cb -0.15 -3.52 0.08 0.00 0.26 0.00 0.00 34.13 30.80 3fif s GLU 52 CO 0.02 0.07 0.45 1.03 -0.54 0.00 0.00 175.26 176.29 3fif s ARG 53 N 1.03 3.00 0.36 4.30 0.52 0.52 -5.02 118.95 123.66 3fif s ARG 53 Ca 0.10 -1.33 -0.28 0.00 -0.52 0.00 0.00 55.73 53.70 3fif s ARG 53 Cb -0.13 -4.15 -0.11 0.00 0.52 0.00 0.00 34.95 31.07 3fif s ARG 53 CO 0.05 -1.11 1.43 -0.51 0.02 0.00 0.00 175.30 175.17 3fif s LEU 54 N 1.80 4.36 0.01 2.53 1.43 -1.26 -2.58 118.68 124.96 3fif s LEU 54 Ca 0.06 2.92 -0.21 0.00 -1.03 0.00 0.00 54.13 55.87 3fif s LEU 54 Cb -0.24 -3.66 -0.05 0.00 0.03 0.00 0.00 46.19 42.26 3fif s LEU 54 CO 0.07 -0.76 0.61 -0.70 0.23 0.00 0.00 176.35 175.80 3fif s GLU 55 N -1.93 4.32 -0.03 1.70 2.12 -1.26 -4.93 118.70 118.69 3fif s GLU 55 Ca 0.52 0.76 0.01 0.00 0.36 0.00 0.00 54.97 56.62 3fif s GLU 55 Cb -0.44 -3.33 0.01 0.00 0.26 0.00 0.00 34.13 30.63 3fif s GLU 55 CO 0.59 0.39 -0.05 -1.01 -0.54 0.00 0.00 175.26 174.63 3fif s HIS 56 N -0.27 0.70 -0.16 5.30 3.76 -1.26 -4.99 115.29 118.37 3fif s HIS 56 Ca 0.31 -0.17 -0.06 0.00 -0.15 0.00 0.00 55.06 54.99 3fif s HIS 56 Cb -0.18 -0.56 0.07 0.00 1.11 0.00 0.00 32.58 33.01 3fif s HIS 56 CO 0.18 -0.12 0.34 -3.38 -0.85 0.00 0.00 174.74 170.91 3fif s HIS 57 N 0.51 -0.57 0.00 1.40 -3.43 -1.26 -5.24 115.29 106.70 3fif s HIS 57 Ca -0.07 1.19 0.00 0.00 -0.80 0.00 0.00 55.06 55.39 3fif s HIS 57 Cb -0.10 0.15 0.00 0.00 -1.43 0.00 0.00 32.58 31.20 3fif s HIS 57 CO 0.00 -0.38 0.00 0.72 -2.00 0.00 0.00 174.74 173.08