#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rl5 s LYS 2 N 0.00 2.30 0.16 3.23 1.02 -1.26 -2.26 119.74 122.92 1rl5 s LYS 2 Ca 0.00 -0.85 0.02 0.00 0.02 0.00 0.00 55.97 55.16 1rl5 s LYS 2 Cb 0.00 -2.31 -0.04 0.00 -0.52 0.00 0.00 37.83 34.95 1rl5 s LYS 2 CO 0.00 0.58 -0.00 0.00 -0.92 0.00 0.00 175.35 175.00 1rl5 s ASN 4 N -3.15 5.79 0.13 0.00 -0.87 -0.27 -0.76 114.94 115.81 1rl5 s ASN 4 Ca 0.23 1.80 0.00 0.00 -1.57 0.00 0.00 52.86 53.32 1rl5 s ASN 4 Cb 0.06 -2.53 0.00 0.00 -0.02 0.00 0.00 41.25 38.76 1rl5 s ASN 4 CO 0.03 -1.16 0.00 0.29 -2.57 0.00 0.00 177.10 173.69 1rl5 n LYS 5 N -2.05 1.16 -0.30 -0.60 4.76 -0.94 -4.51 118.16 115.67 1rl5 n LYS 5 Ca 0.09 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.60 1rl5 n LYS 5 Cb 0.53 0.00 0.17 0.00 -1.84 0.00 0.00 35.03 33.89 1rl5 n LYS 5 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1rl5 h LEU 6 N 0.00 -0.59 -8.53 -0.35 7.12 -1.87 -3.27 115.31 107.81 1rl5 h LEU 6 Ca 0.00 0.25 -0.70 0.00 0.13 0.00 0.00 57.88 57.56 1rl5 h LEU 6 Cb 0.00 0.47 -0.19 0.00 -0.53 0.00 0.00 40.66 40.41 1rl5 h LEU 6 CO 0.00 -0.27 -0.25 -0.69 -0.13 0.00 0.00 178.44 177.10 1rl5 s VAL 7 N -6.15 5.12 -1.84 1.05 1.01 -1.26 -4.93 120.40 113.39 1rl5 s VAL 7 Ca -0.14 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1rl5 s VAL 7 Cb 0.25 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1rl5 s VAL 7 CO 0.77 -0.40 0.01 -2.65 0.00 0.00 0.00 175.10 172.83 1rl5 n PRO 8 N 5.52 0.01 0.00 2.72 -0.02 -1.24 -2.17 135.00 139.82 1rl5 n PRO 8 Ca -0.08 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.52 1rl5 n PRO 8 Cb 0.47 -1.00 0.17 0.00 -0.02 0.00 0.00 33.50 33.12 1rl5 n PRO 8 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1rl5 n ILE 9 N -0.34 0.00 -3.70 4.25 -0.00 -1.26 -4.88 119.36 113.43 1rl5 n ILE 9 Ca 0.00 -0.16 -0.13 0.00 -0.00 0.00 0.00 62.75 62.46 1rl5 n ILE 9 Cb 0.00 0.79 -0.09 0.00 -0.00 0.00 0.00 39.64 40.34 1rl5 n ILE 9 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1rl5 s ALA 10 N -2.58 -1.27 0.24 -1.39 0.00 -0.92 -5.13 121.76 110.72 1rl5 s ALA 10 Ca 0.19 1.48 0.07 0.00 0.00 0.00 0.00 51.96 53.71 1rl5 s ALA 10 Cb 0.18 -0.86 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 1rl5 s ALA 10 CO 0.59 -0.25 -0.11 1.52 0.00 0.00 0.00 175.76 177.51 1rl5 s TYR 11 N 0.40 1.85 0.00 0.00 -0.85 -1.26 -2.22 117.35 115.27 1rl5 s TYR 11 Ca -0.01 -0.62 0.00 0.00 -0.52 0.00 0.00 57.07 55.92 1rl5 s TYR 11 Cb -0.04 -0.94 0.00 0.00 0.38 0.00 0.00 41.96 41.36 1rl5 s TYR 11 CO -0.01 0.34 0.00 1.63 -1.52 0.00 0.00 175.55 175.99 1rl5 n LYS 12 N -0.48 0.53 -4.28 -3.49 5.02 0.06 -4.91 118.16 110.61 1rl5 n LYS 12 Ca -0.07 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.87 1rl5 n LYS 12 Cb 0.62 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.54 1rl5 n LYS 12 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1rl5 s THR 13 N -1.60 4.50 -0.42 -0.18 -1.32 -1.26 -0.79 115.64 114.57 1rl5 s THR 13 Ca 0.00 -0.22 -0.29 0.00 -1.21 0.00 0.00 61.69 59.97 1rl5 s THR 13 Cb 0.00 -2.92 0.01 0.00 -1.51 0.00 0.00 72.50 68.08 1rl5 s THR 13 CO 0.00 0.57 1.41 0.00 -2.21 0.00 0.00 174.62 174.39 1rl5 n PRO 15 N 8.08 -1.02 -1.89 0.00 -0.04 -1.20 -4.31 135.00 134.61 1rl5 n PRO 15 Ca 0.16 -0.29 -0.40 0.00 -0.04 0.00 0.00 63.50 62.94 1rl5 n PRO 15 Cb 0.48 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1rl5 n PRO 15 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1rl5 s GLU 16 N -2.97 3.90 0.00 0.54 0.41 -1.26 -1.95 118.70 117.37 1rl5 s GLU 16 Ca 0.49 2.37 0.00 0.00 -0.41 0.00 0.00 54.97 57.42 1rl5 s GLU 16 Cb -0.05 -2.78 0.00 0.00 -1.78 0.00 0.00 34.13 29.51 1rl5 s GLU 16 CO 0.67 -0.62 0.00 0.41 -0.49 0.00 0.00 175.26 175.22 1rl5 n GLY 17 N 0.59 3.02 2.59 -1.39 0.00 -1.26 -4.86 105.19 103.88 1rl5 n GLY 17 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 1rl5 n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rl5 s LYS 18 N -0.27 0.75 0.00 1.61 -2.85 -0.82 -4.49 119.74 113.67 1rl5 s LYS 18 Ca 0.00 -1.37 0.22 0.00 -1.00 0.00 0.00 55.97 53.82 1rl5 s LYS 18 Cb 0.00 -0.98 0.46 0.00 -2.06 0.00 0.00 37.83 35.25 1rl5 s LYS 18 CO 0.00 -1.28 1.40 -1.71 0.10 0.00 0.00 175.35 173.87 1rl5 n ASN 19 N 3.61 3.51 -4.88 0.03 5.15 -1.20 -3.27 115.26 118.20 1rl5 n ASN 19 Ca 0.18 -1.98 -0.31 0.00 -0.60 0.00 0.00 54.58 51.88 1rl5 n ASN 19 Cb 0.46 -0.29 -0.04 0.00 -0.53 0.00 0.00 39.78 39.37 1rl5 n ASN 19 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1rl5 s LEU 20 N -1.33 4.02 -0.04 1.20 1.43 -0.56 -4.77 118.68 118.63 1rl5 s LEU 20 Ca 0.39 1.00 -0.01 0.00 -1.03 0.00 0.00 54.13 54.49 1rl5 s LEU 20 Cb 0.22 -3.82 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 1rl5 s LEU 20 CO 0.31 -0.23 0.03 0.00 0.23 0.00 0.00 176.35 176.68 1rl5 s TYR 22 N -1.02 0.85 -0.23 0.00 -0.85 0.81 0.48 117.35 117.39 1rl5 s TYR 22 Ca 0.17 -0.73 -0.11 0.00 -0.52 0.00 0.00 57.07 55.88 1rl5 s TYR 22 Cb -0.12 -0.49 0.08 0.00 0.38 0.00 0.00 41.96 41.81 1rl5 s TYR 22 CO 0.07 -0.10 0.53 -1.59 -1.52 0.00 0.00 175.55 172.94 1rl5 s LYS 23 N -2.88 0.51 -0.02 -3.49 -2.85 0.14 -2.26 119.74 108.89 1rl5 s LYS 23 Ca 0.03 1.05 0.04 0.00 -1.00 0.00 0.00 55.97 56.10 1rl5 s LYS 23 Cb -0.01 0.19 -0.03 0.00 -2.06 0.00 0.00 37.83 35.91 1rl5 s LYS 23 CO -0.02 -0.17 -0.14 -1.64 0.10 0.00 0.00 175.35 173.47 1rl5 s MET 24 N 1.84 2.42 0.09 1.78 -1.94 0.47 0.45 119.30 124.40 1rl5 s MET 24 Ca -0.08 -0.76 0.03 0.00 -1.71 0.00 0.00 55.69 53.16 1rl5 s MET 24 Cb -0.08 -2.35 -0.04 0.00 2.01 0.00 0.00 34.83 34.37 1rl5 s MET 24 CO -0.16 0.60 -0.08 -0.06 -0.01 0.00 0.00 175.02 175.31 1rl5 s PHE 25 N -0.81 0.92 0.66 -0.03 0.40 0.65 -0.37 117.98 119.39 1rl5 s PHE 25 Ca 0.13 -0.72 -0.11 0.00 -0.60 0.00 0.00 56.93 55.63 1rl5 s PHE 25 Cb -0.11 -0.52 -0.02 0.00 0.51 0.00 0.00 43.02 42.89 1rl5 s PHE 25 CO 0.03 -0.07 1.05 -1.64 0.70 0.00 0.00 175.22 175.29 1rl5 s MET 26 N -2.95 3.26 0.25 0.44 -1.94 -1.26 0.40 119.30 117.50 1rl5 s MET 26 Ca 0.05 0.71 -0.04 0.00 -1.71 0.00 0.00 55.69 54.70 1rl5 s MET 26 Cb -0.01 -2.05 0.28 0.00 2.01 0.00 0.00 34.83 35.07 1rl5 s MET 26 CO -0.02 -0.80 1.76 0.52 -0.01 0.00 0.00 175.02 176.47 1rl5 h MET 27 N -0.49 0.90 0.00 2.03 2.86 -1.31 -3.23 114.93 115.69 1rl5 h MET 27 Ca -0.44 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 56.97 1rl5 h MET 27 Cb 1.21 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.76 1rl5 h MET 27 CO 0.62 0.85 0.00 0.45 1.06 0.00 0.00 176.91 179.88 1rl5 n SER 28 N -4.23 0.00 -4.58 1.22 2.88 -1.26 -4.44 113.62 103.21 1rl5 n SER 28 Ca 0.04 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.24 1rl5 n SER 28 Cb 0.27 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.69 1rl5 n SER 28 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1rl5 s ASP 29 N -1.42 5.69 0.23 -3.46 -1.08 -1.26 -4.66 116.67 110.70 1rl5 s ASP 29 Ca 0.00 -1.83 0.24 0.00 -0.52 0.00 0.00 52.55 50.45 1rl5 s ASP 29 Cb 0.00 -2.58 0.92 0.00 -1.46 0.00 0.00 42.92 39.79 1rl5 s ASP 29 CO 0.00 -2.37 1.73 0.18 0.52 0.00 0.00 175.17 175.23 1rl5 n LEU 30 N 12.18 0.69 -0.37 -1.34 4.32 -1.22 -1.97 117.00 129.28 1rl5 n LEU 30 Ca 0.45 0.63 0.10 0.00 -0.02 0.00 0.00 56.01 57.16 1rl5 n LEU 30 Cb 0.47 -0.48 0.41 0.00 -1.62 0.00 0.00 43.42 42.20 1rl5 n LEU 30 CO 0.70 -0.40 0.78 1.07 -1.22 0.00 0.00 177.39 178.32 1rl5 n THR 31 N -2.21 0.15 -3.75 -5.08 5.66 -1.26 -4.52 114.28 103.27 1rl5 n THR 31 Ca 0.03 -0.24 -0.30 0.00 -3.05 0.00 0.00 64.05 60.50 1rl5 n THR 31 Cb 0.30 0.15 -0.14 0.00 -1.55 0.00 0.00 70.33 69.10 1rl5 n THR 31 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1rl5 s ILE 32 N -1.85 1.21 0.76 1.09 -1.09 -0.83 -5.13 121.20 115.36 1rl5 s ILE 32 Ca 0.30 -1.93 -0.16 0.00 -2.23 0.00 0.00 60.65 56.63 1rl5 s ILE 32 Cb 0.15 -1.89 -0.09 0.00 -1.58 0.00 0.00 42.46 39.06 1rl5 s ILE 32 CO 0.24 -0.75 0.02 -2.65 -1.23 0.00 0.00 174.94 170.56 1rl5 n PRO 33 N 4.30 0.09 -0.01 2.79 -0.02 -1.26 -4.49 135.00 136.39 1rl5 n PRO 33 Ca 0.03 0.05 -0.02 0.00 -2.02 0.00 0.00 63.50 61.54 1rl5 n PRO 33 Cb 0.39 -1.42 -0.01 0.00 -0.02 0.00 0.00 33.50 32.45 1rl5 n PRO 33 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1rl5 n VAL 34 N -2.31 0.13 -4.05 -1.45 3.14 0.50 -4.94 118.33 109.34 1rl5 n VAL 34 Ca 0.06 -0.05 -0.17 0.00 -2.96 0.00 0.00 64.34 61.22 1rl5 n VAL 34 Cb 0.51 -0.74 -0.16 0.00 -1.06 0.00 0.00 33.84 32.40 1rl5 n VAL 34 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1rl5 s LYS 35 N -2.04 0.45 -0.07 1.45 1.02 -0.93 -4.98 119.74 114.63 1rl5 s LYS 35 Ca -0.03 -0.05 -0.03 0.00 0.02 0.00 0.00 55.97 55.88 1rl5 s LYS 35 Cb 0.01 -0.52 0.04 0.00 -0.52 0.00 0.00 37.83 36.84 1rl5 s LYS 35 CO 0.05 -0.04 0.12 1.03 -0.92 0.00 0.00 175.35 175.59 1rl5 s ARG 36 N 0.60 -0.00 0.00 1.68 1.81 -1.26 -0.39 118.95 121.38 1rl5 s ARG 36 Ca -0.07 0.48 0.00 0.00 -1.72 0.00 0.00 55.73 54.42 1rl5 s ARG 36 Cb -0.10 -0.34 0.00 0.00 -0.45 0.00 0.00 34.95 34.06 1rl5 s ARG 36 CO -0.01 -0.30 0.00 0.41 -0.68 0.00 0.00 175.30 174.72 1rl5 n GLY 37 N 5.20 0.96 3.72 -3.53 0.00 -0.96 -3.58 105.19 107.00 1rl5 n GLY 37 Ca -0.06 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.02 1rl5 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rl5 s ILE 39 N -1.72 0.00 -0.23 0.00 2.07 0.25 -4.80 121.20 116.77 1rl5 s ILE 39 Ca 0.29 -1.71 -0.15 0.00 -1.41 0.00 0.00 60.65 57.67 1rl5 s ILE 39 Cb -0.10 -2.50 -0.09 0.00 0.13 0.00 0.00 42.46 39.90 1rl5 s ILE 39 CO 0.21 0.00 -0.34 -0.90 -1.91 0.00 0.00 174.94 171.99 1rl5 n ASP 40 N -0.95 1.89 -4.62 4.50 5.75 -1.26 -1.50 116.55 120.36 1rl5 n ASP 40 Ca 0.02 0.32 -0.30 0.00 -0.01 0.00 0.00 54.79 54.82 1rl5 n ASP 40 Cb 0.63 -0.76 -0.09 0.00 -1.03 0.00 0.00 41.12 39.86 1rl5 n ASP 40 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1rl5 s VAL 41 N -2.63 3.64 -0.13 2.12 1.01 -1.26 -4.77 120.40 118.37 1rl5 s VAL 41 Ca -0.34 -1.07 -0.29 0.00 0.00 0.00 0.00 61.98 60.27 1rl5 s VAL 41 Cb 0.10 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1rl5 s VAL 41 CO 0.45 0.17 1.24 0.00 0.00 0.00 0.00 175.10 176.96 1rl5 s PRO 43 N 3.08 3.21 0.18 0.00 0.02 -1.26 -5.03 135.00 135.20 1rl5 s PRO 43 Ca 0.55 1.23 -0.30 0.00 0.02 0.00 0.00 61.00 62.50 1rl5 s PRO 43 Cb -0.22 -2.02 -0.08 0.00 0.02 0.00 0.00 34.50 32.20 1rl5 s PRO 43 CO 0.17 -0.90 1.13 0.15 -0.33 0.00 0.00 177.00 177.22 1rl5 s LYS 44 N -4.11 4.56 0.43 5.54 -0.14 -1.26 -4.88 119.74 119.88 1rl5 s LYS 44 Ca 0.64 1.77 -0.11 0.00 -1.36 0.00 0.00 55.97 56.92 1rl5 s LYS 44 Cb -0.17 -3.26 -0.06 0.00 -1.68 0.00 0.00 37.83 32.66 1rl5 s LYS 44 CO 0.38 0.02 0.80 -0.80 -0.76 0.00 0.00 175.35 175.00 1rl5 s ASN 45 N -0.05 6.50 0.42 2.83 0.01 -1.26 -4.87 114.94 118.51 1rl5 s ASN 45 Ca 0.50 1.16 0.04 0.00 -0.71 0.00 0.00 52.86 53.85 1rl5 s ASN 45 Cb -0.31 -2.34 -0.04 0.00 0.41 0.00 0.00 41.25 38.98 1rl5 s ASN 45 CO 0.36 -0.45 0.05 -0.94 -1.51 0.00 0.00 177.10 174.61 1rl5 s SER 46 N -3.27 3.31 0.00 -1.22 1.04 -0.86 -5.01 113.70 107.69 1rl5 s SER 46 Ca 0.52 -1.54 0.11 0.00 0.48 0.00 0.00 55.95 55.52 1rl5 s SER 46 Cb -0.10 0.19 0.50 0.00 0.10 0.00 0.00 66.02 66.70 1rl5 s SER 46 CO 0.33 -0.74 1.35 0.18 0.98 0.00 0.00 173.24 175.34 1rl5 n LEU 47 N -0.98 0.77 -0.08 2.42 4.77 -1.26 -3.69 117.00 118.96 1rl5 n LEU 47 Ca -0.09 -0.36 -0.17 0.00 -0.03 0.00 0.00 56.01 55.36 1rl5 n LEU 47 Cb 0.66 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.62 1rl5 n LEU 47 CO 0.41 0.18 -1.02 0.18 -1.33 0.00 0.00 177.39 175.80 1rl5 n LEU 48 N -0.17 1.19 -4.24 2.23 4.77 -1.26 -4.90 117.00 114.62 1rl5 n LEU 48 Ca 0.09 0.20 -0.16 0.00 -0.03 0.00 0.00 56.01 56.12 1rl5 n LEU 48 Cb 0.15 -0.49 -0.11 0.00 -2.33 0.00 0.00 43.42 40.64 1rl5 n LEU 48 CO 0.07 0.28 -0.43 0.68 -1.33 0.00 0.00 177.39 176.66 1rl5 s VAL 49 N -2.32 1.25 -0.05 4.08 -7.23 -1.24 -0.79 120.40 114.09 1rl5 s VAL 49 Ca -0.23 -1.85 0.03 0.00 -1.81 0.00 0.00 61.98 58.12 1rl5 s VAL 49 Cb 0.08 -1.64 -0.03 0.00 0.56 0.00 0.00 36.38 35.36 1rl5 s VAL 49 CO 0.29 -0.56 -0.13 -0.75 -0.31 0.00 0.00 175.10 173.64 1rl5 s LYS 50 N -3.10 2.56 -0.07 4.82 2.47 0.16 -2.03 119.74 124.56 1rl5 s LYS 50 Ca 0.12 -0.67 0.01 0.00 -1.56 0.00 0.00 55.97 53.87 1rl5 s LYS 50 Cb -0.02 -2.42 -0.03 0.00 -1.46 0.00 0.00 37.83 33.90 1rl5 s LYS 50 CO 0.02 0.62 -0.08 0.71 0.16 0.00 0.00 175.35 176.78 1rl5 s TYR 51 N -0.73 2.90 -0.07 4.03 1.51 -1.26 -0.26 117.35 123.48 1rl5 s TYR 51 Ca 0.11 -0.06 -0.01 0.00 -1.01 0.00 0.00 57.07 56.10 1rl5 s TYR 51 Cb -0.11 -1.72 0.03 0.00 -0.11 0.00 0.00 41.96 40.05 1rl5 s TYR 51 CO 0.01 0.26 -0.01 0.08 -1.11 0.00 0.00 175.55 174.77 1rl5 s VAL 52 N -0.66 0.41 0.29 0.71 1.01 0.17 -4.93 120.40 117.41 1rl5 s VAL 52 Ca 0.10 0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.21 1rl5 s VAL 52 Cb -0.11 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 1rl5 s VAL 52 CO 0.02 0.25 0.31 0.00 0.00 0.00 0.00 175.10 175.68 1rl5 n ASN 55 N 1.33 2.74 -4.94 0.00 2.04 -1.26 0.78 115.26 115.95 1rl5 n ASN 55 Ca -0.15 -1.96 -0.24 0.00 -0.44 0.00 0.00 54.58 51.80 1rl5 n ASN 55 Cb 0.57 -0.19 -0.01 0.00 -2.53 0.00 0.00 39.78 37.62 1rl5 n ASN 55 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1rl5 s THR 56 N -0.99 4.86 0.54 5.53 -4.23 -1.26 -4.95 115.64 115.15 1rl5 s THR 56 Ca 0.20 -0.39 -0.16 0.00 -1.18 0.00 0.00 61.69 60.15 1rl5 s THR 56 Cb 0.10 -3.79 -0.06 0.00 1.34 0.00 0.00 72.50 70.09 1rl5 s THR 56 CO 0.14 -0.55 1.01 -1.81 -0.54 0.00 0.00 174.62 172.87 1rl5 s ASP 57 N -4.08 6.30 -1.49 3.99 1.11 -1.26 -3.65 116.67 117.59 1rl5 s ASP 57 Ca 0.42 1.67 -0.12 0.00 0.18 0.00 0.00 52.55 54.70 1rl5 s ASP 57 Cb -0.10 -2.52 0.12 0.00 1.07 0.00 0.00 42.92 41.50 1rl5 s ASP 57 CO 0.37 -0.81 0.31 0.54 1.18 0.00 0.00 175.17 176.76 1rl5 n ARG 58 N -1.75 -0.83 -0.08 8.23 1.74 0.44 -4.78 116.66 119.62 1rl5 n ARG 58 Ca 0.07 0.10 -0.18 0.00 -0.77 0.00 0.00 57.85 57.07 1rl5 n ARG 58 Cb 0.54 -3.62 -0.12 0.00 -1.02 0.00 0.00 32.46 28.23 1rl5 n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11