#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nh5 s ASP 2 N 0.00 -0.18 0.00 3.14 1.01 -1.26 -0.98 116.67 118.40 1nh5 s ASP 2 Ca 0.00 0.25 0.00 0.00 0.71 0.00 0.00 52.55 53.51 1nh5 s ASP 2 Cb 0.00 0.40 0.00 0.00 1.01 0.00 0.00 42.92 44.33 1nh5 s ASP 2 CO 0.00 -0.23 0.00 0.61 0.21 0.00 0.00 175.17 175.76 1nh5 n GLY 3 N 2.24 0.07 3.52 0.21 0.00 -0.23 -4.78 105.19 106.21 1nh5 n GLY 3 Ca -0.17 -1.21 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 1nh5 n GLY 3 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nh5 s TYR 4 N -3.75 3.22 0.27 1.61 2.02 0.18 -0.07 117.35 120.83 1nh5 s TYR 4 Ca 0.00 -0.25 -0.30 0.00 -0.37 0.00 0.00 57.07 56.15 1nh5 s TYR 4 Cb 0.00 -2.44 -0.09 0.00 -0.40 0.00 0.00 41.96 39.02 1nh5 s TYR 4 CO 0.00 -0.36 1.08 -1.25 -1.57 0.00 0.00 175.55 173.45 1nh5 s PRO 5 N 1.70 4.67 -0.31 -1.71 0.04 -1.26 -0.34 135.00 137.79 1nh5 s PRO 5 Ca 0.06 1.77 -0.00 0.00 0.04 0.00 0.00 61.00 62.86 1nh5 s PRO 5 Cb -0.17 -3.20 0.13 0.00 0.04 0.00 0.00 34.50 31.30 1nh5 s PRO 5 CO 0.10 0.25 0.28 0.14 0.04 0.00 0.00 177.00 177.80 1nh5 s VAL 6 N -1.15 -0.29 0.00 -0.36 -7.23 -1.14 -4.49 120.40 105.74 1nh5 s VAL 6 Ca 0.44 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.89 1nh5 s VAL 6 Cb -0.31 -0.94 0.00 0.00 0.56 0.00 0.00 36.38 35.69 1nh5 s VAL 6 CO 0.40 -0.57 0.00 -0.90 -0.31 0.00 0.00 175.10 173.72 1nh5 n ASP 7 N 5.00 0.00 0.10 4.85 5.68 -1.26 -4.81 116.55 126.11 1nh5 n ASP 7 Ca 0.01 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.26 1nh5 n ASP 7 Cb 0.45 0.43 0.04 0.00 -1.14 0.00 0.00 41.12 40.90 1nh5 n ASP 7 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1nh5 h SER 8 N 0.00 0.03 0.63 -1.12 4.64 -2.00 -3.19 113.55 112.53 1nh5 h SER 8 Ca 0.00 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.24 1nh5 h SER 8 Cb 0.00 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1nh5 h SER 8 CO 0.00 0.81 -1.42 2.29 -0.87 0.00 0.00 176.83 177.64 1nh5 n LYS 9 N -3.61 0.63 0.00 4.77 0.00 -1.26 -4.98 118.16 113.71 1nh5 n LYS 9 Ca -0.01 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 1nh5 n LYS 9 Cb 0.76 -1.73 0.00 0.00 -0.00 0.00 0.00 35.03 34.06 1nh5 n LYS 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nh5 n GLY 10 N 1.28 1.98 2.78 2.58 0.00 -1.21 -4.27 105.19 108.34 1nh5 n GLY 10 Ca -0.05 0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1nh5 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nh5 n LYS 12 N -0.26 -1.36 -3.93 0.00 4.01 -1.26 -3.97 118.16 111.38 1nh5 n LYS 12 Ca 0.39 0.90 -0.10 0.00 -0.51 0.00 0.00 58.31 58.99 1nh5 n LYS 12 Cb 0.38 -1.66 -0.11 0.00 -0.51 0.00 0.00 35.03 33.13 1nh5 n LYS 12 CO 0.00 0.00 0.00 -0.48 -1.11 0.00 0.00 177.40 175.81 1nh5 s LEU 13 N 0.00 1.96 -0.60 -0.35 0.05 -1.26 -4.88 118.68 113.59 1nh5 s LEU 13 Ca 0.00 -0.38 -0.23 0.00 0.05 0.00 0.00 54.13 53.58 1nh5 s LEU 13 Cb 0.00 0.33 0.06 0.00 -2.05 0.00 0.00 46.19 44.53 1nh5 s LEU 13 CO 0.00 -0.32 0.92 -0.94 -0.55 0.00 0.00 176.35 175.46 1nh5 s SER 14 N -1.41 6.24 0.37 1.48 1.04 -1.26 -2.86 113.70 117.30 1nh5 s SER 14 Ca -0.15 -0.75 -0.27 0.00 0.48 0.00 0.00 55.95 55.26 1nh5 s SER 14 Cb -0.09 -2.41 -0.10 0.00 0.10 0.00 0.00 66.02 63.52 1nh5 s SER 14 CO 0.00 -1.31 1.35 0.00 0.98 0.00 0.00 173.24 174.26 1nh5 n VAL 16 N 0.44 0.13 -3.59 0.00 0.31 -1.26 -4.95 118.33 109.41 1nh5 n VAL 16 Ca 0.02 -0.47 -0.05 0.00 -0.01 0.00 0.00 64.34 63.83 1nh5 n VAL 16 Cb 0.42 -0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.33 1nh5 n VAL 16 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nh5 s ALA 17 N -3.44 -1.91 0.13 3.52 0.00 -1.26 -5.01 121.76 113.78 1nh5 s ALA 17 Ca -0.05 0.94 -0.18 0.00 0.00 0.00 0.00 51.96 52.67 1nh5 s ALA 17 Cb 0.13 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.54 1nh5 s ALA 17 CO 0.88 -0.79 1.76 -0.91 0.00 0.00 0.00 175.76 176.70 1nh5 h ASN 18 N 2.00 0.37 -0.29 0.00 2.35 -1.96 -1.83 115.58 116.22 1nh5 h ASN 18 Ca -0.20 -0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.43 1nh5 h ASN 18 Cb 1.21 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.47 1nh5 h ASN 18 CO 0.27 0.31 -0.04 -0.55 -1.65 0.00 0.00 177.43 175.78 1nh5 h ASN 19 N 0.40 0.63 -0.23 5.81 -1.07 -1.97 -0.01 115.58 119.15 1nh5 h ASN 19 Ca 0.11 -0.15 -0.07 0.00 0.07 0.00 0.00 56.30 56.26 1nh5 h ASN 19 Cb 0.01 -0.17 -0.02 0.00 -2.07 0.00 0.00 38.32 36.07 1nh5 h ASN 19 CO -0.02 0.73 -0.07 0.22 0.07 0.00 0.00 177.43 178.36 1nh5 h TYR 20 N 0.62 0.63 0.21 4.14 5.03 -1.76 -0.38 116.97 125.46 1nh5 h TYR 20 Ca 0.12 -0.09 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 1nh5 h TYR 20 Cb 0.45 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.56 1nh5 h TYR 20 CO 0.02 0.65 -0.10 0.00 -1.32 0.00 0.00 178.16 177.41 1nh5 h ASP 22 N -0.93 0.35 0.10 0.00 3.58 -0.59 0.22 116.42 119.15 1nh5 h ASP 22 Ca -0.03 -0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.35 1nh5 h ASP 22 Cb 0.49 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 1nh5 h ASP 22 CO 0.05 0.28 -0.13 -0.55 -2.88 0.00 0.00 179.24 176.00 1nh5 h ASN 23 N 0.39 0.08 0.58 2.28 7.08 -1.27 0.32 115.58 125.04 1nh5 h ASN 23 Ca 0.11 -0.01 -0.28 0.00 -3.08 0.00 0.00 56.30 53.03 1nh5 h ASN 23 Cb -0.01 -0.02 0.01 0.00 -2.08 0.00 0.00 38.32 36.21 1nh5 h ASN 23 CO -0.02 0.22 -1.29 -0.61 -2.08 0.00 0.00 177.43 173.66 1nh5 h GLN 24 N 0.08 0.30 -0.03 4.14 4.15 -0.96 -2.74 115.11 120.05 1nh5 h GLN 24 Ca 0.02 -0.51 -0.01 0.00 0.77 0.00 0.00 58.65 58.92 1nh5 h GLN 24 Cb 0.29 0.19 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 1nh5 h GLN 24 CO 0.02 1.24 -0.02 0.00 -1.93 0.00 0.00 178.83 178.13 1nh5 h LYS 26 N -0.39 0.00 -0.93 0.00 2.10 -1.03 0.20 116.57 116.51 1nh5 h LYS 26 Ca 0.00 0.00 0.20 0.00 -2.00 0.00 0.00 60.65 58.85 1nh5 h LYS 26 Cb 0.51 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 31.73 1nh5 h LYS 26 CO 0.01 0.00 0.51 1.98 -2.00 0.00 0.00 179.45 179.94 1nh5 h MET 27 N 0.00 0.58 0.00 0.07 4.05 -1.46 -3.43 114.93 114.74 1nh5 h MET 27 Ca 0.00 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1nh5 h MET 27 Cb 0.49 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 1nh5 h MET 27 CO 0.00 0.39 0.00 1.17 0.23 0.00 0.00 176.91 178.70 1nh5 n LYS 28 N -4.89 0.00 -0.22 0.39 0.00 -1.06 -4.97 118.16 107.41 1nh5 n LYS 28 Ca 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 58.31 58.50 1nh5 n LYS 28 Cb 0.59 0.00 0.08 0.00 0.00 0.00 0.00 35.03 35.69 1nh5 n LYS 28 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1nh5 h LYS 29 N 0.00 0.69 0.00 1.64 1.79 -1.50 -3.46 116.57 115.73 1nh5 h LYS 29 Ca 0.00 -0.04 -0.38 0.00 -2.18 0.00 0.00 60.65 58.05 1nh5 h LYS 29 Cb 0.00 -0.16 -0.10 0.00 -1.58 0.00 0.00 32.23 30.40 1nh5 h LYS 29 CO 0.00 0.46 -0.32 0.00 -1.08 0.00 0.00 179.45 178.51 1nh5 n ALA 30 N -2.33 0.28 0.05 3.86 0.00 0.60 -4.31 120.51 118.67 1nh5 n ALA 30 Ca 0.07 -1.72 -0.15 0.00 0.00 0.00 0.00 53.44 51.64 1nh5 n ALA 30 Cb 0.13 1.39 -0.14 0.00 0.00 0.00 0.00 19.45 20.83 1nh5 n ALA 30 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1nh5 h SER 31 N 1.91 0.32 -1.33 0.00 0.02 -0.58 -3.36 113.55 110.52 1nh5 h SER 31 Ca -0.24 -0.45 -0.00 0.00 -0.84 0.00 0.00 61.79 60.26 1nh5 h SER 31 Cb 1.13 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.56 1nh5 h SER 31 CO 0.33 1.37 0.00 0.61 -1.14 0.00 0.00 176.83 178.01 1nh5 n GLY 32 N 1.63 2.49 3.62 -3.77 0.00 -0.23 -4.55 105.19 104.38 1nh5 n GLY 32 Ca -0.15 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1nh5 n GLY 32 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nh5 s GLY 33 N -1.07 -0.38 0.05 -0.02 0.00 -1.26 -0.13 107.32 104.50 1nh5 s GLY 33 Ca 0.01 0.84 -0.04 0.00 0.00 0.00 0.00 44.72 45.52 1nh5 s GLY 33 CO 0.01 0.19 0.06 -1.58 0.00 0.00 0.00 173.10 171.78 1nh5 s HIS 34 N -2.47 0.32 -0.55 1.90 5.65 0.05 -4.19 115.29 116.00 1nh5 s HIS 34 Ca 0.13 -0.74 -0.23 0.00 0.25 0.00 0.00 55.06 54.47 1nh5 s HIS 34 Cb 0.03 -0.22 0.05 0.00 -1.18 0.00 0.00 32.58 31.26 1nh5 s HIS 34 CO -0.04 -0.40 0.86 0.00 -0.65 0.00 0.00 174.74 174.52 1nh5 s TYR 36 N 3.62 3.50 0.33 0.00 5.04 -1.01 -4.88 117.35 123.94 1nh5 s TYR 36 Ca 0.26 0.69 0.05 0.00 -2.44 0.00 0.00 57.07 55.63 1nh5 s TYR 36 Cb -0.15 -2.16 0.70 0.00 0.35 0.00 0.00 41.96 40.70 1nh5 s TYR 36 CO 0.17 0.03 1.88 0.00 -1.34 0.00 0.00 175.55 176.29 1nh5 h ALA 37 N 1.18 1.69 0.14 3.97 0.00 -1.96 -1.67 119.26 122.61 1nh5 h ALA 37 Ca -0.48 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.21 1nh5 h ALA 37 Cb 1.20 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.83 1nh5 h ALA 37 CO 0.64 0.11 -0.97 0.52 0.00 0.00 0.00 179.25 179.55 1nh5 h MET 38 N 0.83 0.41 -2.39 0.00 2.86 -1.96 -3.47 114.93 111.21 1nh5 h MET 38 Ca 0.43 -0.63 0.14 0.00 -2.06 0.00 0.00 59.70 57.58 1nh5 h MET 38 Cb 0.50 0.22 -0.10 0.00 0.06 0.00 0.00 31.60 32.28 1nh5 h MET 38 CO -0.19 1.28 0.46 -1.12 1.06 0.00 0.00 176.91 178.40 1nh5 s SER 39 N -7.12 -0.26 -0.24 1.22 0.01 -0.63 -4.71 113.70 101.97 1nh5 s SER 39 Ca -0.12 -0.27 -0.28 0.00 1.31 0.00 0.00 55.95 56.59 1nh5 s SER 39 Cb 0.02 0.47 -0.04 0.00 0.21 0.00 0.00 66.02 66.69 1nh5 s SER 39 CO 0.87 -0.84 1.97 0.00 0.41 0.00 0.00 173.24 175.65 1nh5 s TYR 41 N 7.14 2.70 0.36 0.00 5.04 -0.02 -4.46 117.35 128.11 1nh5 s TYR 41 Ca 0.88 -0.65 -0.11 0.00 -2.44 0.00 0.00 57.07 54.75 1nh5 s TYR 41 Cb -0.29 -4.33 -0.07 0.00 0.35 0.00 0.00 41.96 37.62 1nh5 s TYR 41 CO 0.34 -1.67 0.72 0.00 -1.34 0.00 0.00 175.55 173.60 1nh5 s GLU 43 N -3.52 0.37 -0.07 0.00 2.02 0.81 -1.07 118.70 117.24 1nh5 s GLU 43 Ca 0.51 0.11 -0.00 0.00 0.02 0.00 0.00 54.97 55.61 1nh5 s GLU 43 Cb -0.10 -0.64 -0.00 0.00 0.10 0.00 0.00 34.13 33.49 1nh5 s GLU 43 CO 0.27 -0.20 0.06 0.41 0.02 0.00 0.00 175.26 175.82 1nh5 n GLY 44 N 4.55 -0.05 3.96 -1.39 0.00 -1.00 -1.07 105.19 110.19 1nh5 n GLY 44 Ca -0.18 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 1nh5 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nh5 s LEU 45 N -2.45 4.15 0.56 0.99 1.02 -0.15 -0.76 118.68 122.04 1nh5 s LEU 45 Ca 0.01 0.21 -0.17 0.00 0.02 0.00 0.00 54.13 54.20 1nh5 s LEU 45 Cb -0.00 -3.04 -0.05 0.00 0.02 0.00 0.00 46.19 43.12 1nh5 s LEU 45 CO 0.06 -0.21 1.05 -2.16 0.02 0.00 0.00 176.35 175.11 1nh5 s PRO 46 N -4.15 3.50 0.51 1.29 0.04 -1.26 -4.54 135.00 130.39 1nh5 s PRO 46 Ca 0.38 1.22 0.32 0.00 0.04 0.00 0.00 61.00 62.96 1nh5 s PRO 46 Cb -0.09 -2.06 1.32 0.00 0.04 0.00 0.00 34.50 33.71 1nh5 s PRO 46 CO 0.32 -0.67 1.95 1.05 0.04 0.00 0.00 177.00 179.69 1nh5 h GLU 47 N 0.76 0.00 0.00 4.56 4.11 -1.98 -1.50 114.58 120.53 1nh5 h GLU 47 Ca -0.48 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 58.88 1nh5 h GLU 47 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1nh5 h GLU 47 CO 0.58 0.00 -0.34 -2.95 0.07 0.00 0.00 179.01 176.38 1nh5 h ASN 48 N 0.00 0.00 -2.51 3.06 -1.07 -2.01 -3.38 115.58 109.67 1nh5 h ASN 48 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 56.30 55.76 1nh5 h ASN 48 Cb 0.49 0.00 -0.13 0.00 -2.07 0.00 0.00 38.32 36.62 1nh5 h ASN 48 CO 0.00 0.34 0.73 0.00 0.07 0.00 0.00 177.43 178.57 1nh5 s ALA 49 N -3.82 3.01 0.27 4.14 0.00 -0.57 -5.00 121.76 119.80 1nh5 s ALA 49 Ca -0.01 -1.78 -0.29 0.00 0.00 0.00 0.00 51.96 49.88 1nh5 s ALA 49 Cb 0.12 -4.00 -0.10 0.00 0.00 0.00 0.00 23.12 19.14 1nh5 s ALA 49 CO 0.68 -2.96 1.34 0.21 0.00 0.00 0.00 175.76 175.03 1nh5 s LYS 50 N 4.48 4.35 0.09 0.00 2.36 -1.26 -4.86 119.74 124.90 1nh5 s LYS 50 Ca 0.27 2.18 0.07 0.00 -2.55 0.00 0.00 55.97 55.94 1nh5 s LYS 50 Cb -0.13 -3.12 -0.03 0.00 -1.05 0.00 0.00 37.83 33.50 1nh5 s LYS 50 CO 0.10 -0.25 -0.17 0.14 1.55 0.00 0.00 175.35 176.71 1nh5 s VAL 51 N -0.49 1.42 0.17 4.02 -7.23 -1.26 -2.89 120.40 114.14 1nh5 s VAL 51 Ca 0.54 -1.45 -0.12 0.00 -1.81 0.00 0.00 61.98 59.14 1nh5 s VAL 51 Cb -0.39 -1.34 -0.07 0.00 0.56 0.00 0.00 36.38 35.14 1nh5 s VAL 51 CO 0.46 -0.15 0.53 -0.55 -0.31 0.00 0.00 175.10 175.08 1nh5 s SER 52 N -1.86 6.72 -0.15 4.85 0.15 0.54 -4.85 113.70 119.10 1nh5 s SER 52 Ca 0.03 0.98 0.17 0.00 0.70 0.00 0.00 55.95 57.83 1nh5 s SER 52 Cb -0.10 -2.25 0.44 0.00 -1.71 0.00 0.00 66.02 62.40 1nh5 s SER 52 CO 0.03 0.04 1.19 -0.90 1.20 0.00 0.00 173.24 174.80 1nh5 n ASP 53 N 0.43 1.79 -2.42 5.45 3.85 -1.26 -0.65 116.55 123.75 1nh5 n ASP 53 Ca -0.03 -3.04 -0.24 0.00 -0.71 0.00 0.00 54.79 50.77 1nh5 n ASP 53 Cb 0.52 -0.42 0.01 0.00 -1.35 0.00 0.00 41.12 39.88 1nh5 n ASP 53 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1nh5 n SER 54 N -0.45 4.34 -3.65 -1.12 3.41 -1.26 -4.93 113.62 109.97 1nh5 n SER 54 Ca 0.16 -3.58 -0.23 0.00 -0.26 0.00 0.00 58.87 54.96 1nh5 n SER 54 Cb 0.90 -0.44 0.06 0.00 -0.26 0.00 0.00 64.21 64.46 1nh5 n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nh5 n ALA 55 N -0.49 -1.60 -3.25 7.33 0.00 -1.26 -3.14 120.51 118.10 1nh5 n ALA 55 Ca 0.36 0.15 -0.08 0.00 0.00 0.00 0.00 53.44 53.87 1nh5 n ALA 55 Cb 0.74 -3.92 0.01 0.00 0.00 0.00 0.00 19.45 16.28 1nh5 n ALA 55 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1nh5 n THR 56 N -4.60 -8.55 0.11 0.00 -1.04 -1.26 -4.90 114.28 94.05 1nh5 n THR 56 Ca -0.11 -0.35 0.06 0.00 -2.04 0.00 0.00 64.05 61.61 1nh5 n THR 56 Cb 0.60 -5.99 0.02 0.00 -1.82 0.00 0.00 70.33 63.13 1nh5 n THR 56 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1nh5 h ASN 57 N 0.02 0.00 -3.50 8.00 7.08 -1.99 -3.44 115.58 121.74 1nh5 h ASN 57 Ca -0.22 0.00 -0.51 0.00 -3.08 0.00 0.00 56.30 52.49 1nh5 h ASN 57 Cb 1.13 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.35 1nh5 h ASN 57 CO 0.34 0.27 -0.01 -0.63 -2.08 0.00 0.00 177.43 175.32 1nh5 s ILE 58 N -3.12 4.87 0.53 6.14 1.01 -1.26 -4.94 121.20 124.43 1nh5 s ILE 58 Ca 0.01 0.48 0.23 0.00 0.00 0.00 0.00 60.65 61.38 1nh5 s ILE 58 Cb 0.08 -3.68 0.37 0.00 0.01 0.00 0.00 42.46 39.24 1nh5 s ILE 58 CO 0.76 -0.30 2.03 0.00 0.00 0.00 0.00 174.94 177.42