#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 -0.14 0.00 3.14 1.01 -1.26 -0.47 116.67 118.94 1nh5 s ASP 2 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.27 1nh5 s ASP 2 Cb 0.00 0.29 0.00 0.00 1.01 0.00 0.00 42.92 44.22 1nh5 s ASP 2 CO 0.00 -0.45 0.00 0.61 0.21 0.00 0.00 175.17 175.54 1nh5 n GLY 3 N 1.25 0.10 3.54 0.21 0.00 -0.11 -4.80 105.19 105.38 1nh5 n GLY 3 Ca -0.22 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.95 3.21 0.05 1.61 2.02 0.47 0.15 117.35 121.91 1nh5 s TYR 4 Ca 0.00 -0.07 -0.30 0.00 -0.37 0.00 0.00 57.07 56.32 1nh5 s TYR 4 Cb 0.00 -2.63 -0.05 0.00 -0.40 0.00 0.00 41.96 38.88 1nh5 s TYR 4 CO 0.00 -0.42 1.17 -1.25 -1.57 0.00 0.00 175.55 173.48 1nh5 s PRO 5 N 1.95 4.45 -0.03 -1.71 0.04 -1.26 -0.11 135.00 138.32 1nh5 s PRO 5 Ca 0.10 1.72 -0.00 0.00 0.04 0.00 0.00 61.00 62.86 1nh5 s PRO 5 Cb -0.17 -3.37 0.03 0.00 0.04 0.00 0.00 34.50 31.03 1nh5 s PRO 5 CO 0.11 -0.23 0.02 0.14 0.04 0.00 0.00 177.00 177.08 1nh5 s VAL 6 N 1.08 0.05 0.00 -0.36 -7.23 -0.47 -4.65 120.40 108.83 1nh5 s VAL 6 Ca 0.58 0.21 0.00 0.00 -1.81 0.00 0.00 61.98 60.96 1nh5 s VAL 6 Cb -0.28 -0.21 0.00 0.00 0.56 0.00 0.00 36.38 36.45 1nh5 s VAL 6 CO 0.29 0.15 0.00 -0.90 -0.31 0.00 0.00 175.10 174.33 1nh5 n ASP 7 N 4.53 0.00 0.09 4.85 5.75 -1.26 -4.55 116.55 125.96 1nh5 n ASP 7 Ca -0.19 0.00 -0.16 0.00 -0.01 0.00 0.00 54.79 54.43 1nh5 n ASP 7 Cb 0.50 0.21 -0.14 0.00 -1.03 0.00 0.00 41.12 40.66 1nh5 n ASP 7 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1nh5 h SER 8 N 0.00 0.40 1.71 -1.12 4.64 -1.99 -3.07 113.55 114.11 1nh5 h SER 8 Ca 0.00 -0.46 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1nh5 h SER 8 Cb 0.00 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 1nh5 h SER 8 CO 0.00 1.37 0.00 0.07 -0.87 0.00 0.00 176.83 177.40 1nh5 h LYS 9 N 0.07 0.00 0.00 4.77 2.10 -1.92 -3.47 116.57 118.11 1nh5 h LYS 9 Ca -0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 1nh5 h LYS 9 Cb 1.98 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.31 1nh5 h LYS 9 CO 0.19 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 178.05 1nh5 n GLY 10 N 0.85 2.06 2.50 0.07 0.00 -1.16 -4.61 105.19 104.90 1nh5 n GLY 10 Ca 0.03 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 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 3.38 -1.53 -3.76 0.00 4.76 -1.26 -4.75 118.16 114.99 1nh5 n LYS 12 Ca 0.19 1.14 -0.13 0.00 -2.87 0.00 0.00 58.31 56.64 1nh5 n LYS 12 Cb 0.41 -1.83 -0.14 0.00 -1.84 0.00 0.00 35.03 31.63 1nh5 n LYS 12 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 1nh5 s LEU 13 N -6.07 0.89 -1.29 -0.35 0.05 -1.26 -4.91 118.68 105.73 1nh5 s LEU 13 Ca 0.00 0.28 -0.18 0.00 0.05 0.00 0.00 54.13 54.28 1nh5 s LEU 13 Cb 0.00 0.35 0.08 0.00 -2.05 0.00 0.00 46.19 44.57 1nh5 s LEU 13 CO 0.00 -0.13 1.72 -0.44 -0.55 0.00 0.00 176.35 176.95 1nh5 s SER 14 N 0.97 6.85 0.52 1.48 0.01 -1.26 -3.50 113.70 118.77 1nh5 s SER 14 Ca -0.07 -2.48 -0.22 0.00 1.31 0.00 0.00 55.95 54.48 1nh5 s SER 14 Cb -0.10 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 63.51 1nh5 s SER 14 CO -0.05 -1.14 1.33 0.00 0.41 0.00 0.00 173.24 173.79 1nh5 n VAL 16 N -0.85 0.11 -3.58 0.00 0.31 -1.26 -4.61 118.33 108.45 1nh5 n VAL 16 Ca 0.09 -0.42 -0.06 0.00 -0.01 0.00 0.00 64.34 63.94 1nh5 n VAL 16 Cb 0.45 0.08 -0.02 0.00 -0.91 0.00 0.00 33.84 33.45 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 -3.40 -1.89 0.18 3.52 0.00 -1.26 -5.01 121.76 113.90 1nh5 s ALA 17 Ca -0.04 0.96 -0.11 0.00 0.00 0.00 0.00 51.96 52.77 1nh5 s ALA 17 Cb 0.14 0.33 0.09 0.00 0.00 0.00 0.00 23.12 23.67 1nh5 s ALA 17 CO 0.88 -0.77 1.74 -0.91 0.00 0.00 0.00 175.76 176.70 1nh5 h ASN 18 N 2.00 0.86 0.06 0.00 2.35 -1.93 -0.52 115.58 118.39 1nh5 h ASN 18 Ca -0.20 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.32 1nh5 h ASN 18 Cb 1.22 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 1nh5 h ASN 18 CO 0.28 0.79 -0.19 -0.55 -1.65 0.00 0.00 177.43 176.10 1nh5 h ASN 19 N 0.87 0.25 0.40 5.81 7.08 -1.97 0.21 115.58 128.24 1nh5 h ASN 19 Ca 0.21 -0.06 -0.16 0.00 -3.08 0.00 0.00 56.30 53.21 1nh5 h ASN 19 Cb 0.19 -0.07 -0.01 0.00 -2.08 0.00 0.00 38.32 36.36 1nh5 h ASN 19 CO -0.02 0.46 -0.68 0.22 -2.08 0.00 0.00 177.43 175.33 1nh5 h TYR 20 N 0.24 0.33 0.15 4.14 5.03 -1.66 -2.67 116.97 122.52 1nh5 h TYR 20 Ca 0.04 -0.14 -0.01 0.00 2.58 0.00 0.00 58.73 61.21 1nh5 h TYR 20 Cb 0.48 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.71 1nh5 h TYR 20 CO 0.01 0.85 -0.07 0.00 -1.32 0.00 0.00 178.16 177.62 1nh5 h ASP 22 N -0.72 0.49 0.05 0.00 3.58 -0.43 0.33 116.42 119.71 1nh5 h ASP 22 Ca -0.02 -0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 1nh5 h ASP 22 Cb 0.52 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 1nh5 h ASP 22 CO 0.03 0.39 -0.09 -0.55 -2.88 0.00 0.00 179.24 176.14 1nh5 h ASN 23 N 0.55 0.09 0.90 2.28 7.08 -1.67 0.13 115.58 124.93 1nh5 h ASN 23 Ca 0.15 -0.01 -0.23 0.00 -3.08 0.00 0.00 56.30 53.13 1nh5 h ASN 23 Cb -0.02 -0.02 -0.02 0.00 -2.08 0.00 0.00 38.32 36.18 1nh5 h ASN 23 CO -0.03 0.19 -1.08 -0.61 -2.08 0.00 0.00 177.43 173.82 1nh5 h GLN 24 N 0.09 0.06 -0.01 4.14 4.15 -0.65 -2.84 115.11 120.05 1nh5 h GLN 24 Ca 0.02 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 1nh5 h GLN 24 Cb 0.22 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.94 1nh5 h GLN 24 CO 0.01 1.03 -0.01 0.00 -1.93 0.00 0.00 178.83 177.93 1nh5 n LYS 26 N -4.83 0.09 -0.31 0.00 2.85 0.33 -0.46 118.16 115.83 1nh5 n LYS 26 Ca -0.08 0.20 0.12 0.00 -1.05 0.00 0.00 58.31 57.50 1nh5 n LYS 26 Cb 0.27 -1.63 0.30 0.00 -0.65 0.00 0.00 35.03 33.31 1nh5 n LYS 26 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 1nh5 h MET 27 N 0.00 0.51 0.00 -1.58 4.05 -1.48 -3.44 114.93 112.99 1nh5 h MET 27 Ca 0.00 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1nh5 h MET 27 Cb 0.44 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.13 1nh5 h MET 27 CO 0.00 0.33 0.00 0.36 0.23 0.00 0.00 176.91 177.83 1nh5 n LYS 28 N -4.95 0.00 -0.16 0.39 2.85 -1.16 -4.99 118.16 110.15 1nh5 n LYS 28 Ca 0.21 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.44 1nh5 n LYS 28 Cb 0.60 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 35.04 1nh5 n LYS 28 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1nh5 h LYS 29 N 0.00 0.30 0.00 -1.58 1.79 -1.71 -3.46 116.57 111.90 1nh5 h LYS 29 Ca 0.00 -0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 58.35 1nh5 h LYS 29 Cb 0.00 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.56 1nh5 h LYS 29 CO 0.00 0.20 -0.09 0.00 -1.08 0.00 0.00 179.45 178.47 1nh5 n ALA 30 N -2.45 0.10 -0.00 3.86 0.00 0.39 -4.31 120.51 118.10 1nh5 n ALA 30 Ca 0.05 -0.46 -0.11 0.00 0.00 0.00 0.00 53.44 52.92 1nh5 n ALA 30 Cb 0.21 0.37 -0.14 0.00 0.00 0.00 0.00 19.45 19.90 1nh5 n ALA 30 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1nh5 h SER 31 N 0.50 0.09 0.00 0.00 0.87 -0.65 -3.35 113.55 111.01 1nh5 h SER 31 Ca -0.06 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1nh5 h SER 31 Cb 0.30 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1nh5 h SER 31 CO 0.09 1.16 0.00 0.61 -0.53 0.00 0.00 176.83 178.16 1nh5 n GLY 32 N 1.61 -0.71 0.00 5.77 0.00 -0.97 -4.42 105.19 106.46 1nh5 n GLY 32 Ca -0.17 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1nh5 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nh5 n GLY 33 N 0.00 0.55 3.18 -0.02 0.00 -1.26 0.23 105.19 107.87 1nh5 n GLY 33 Ca 0.00 -1.66 -0.11 0.00 0.00 0.00 0.00 46.02 44.24 1nh5 n GLY 33 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nh5 s HIS 34 N -2.97 1.05 -0.48 1.61 3.76 -0.09 -4.04 115.29 114.12 1nh5 s HIS 34 Ca 0.00 -1.32 -0.10 0.00 -0.15 0.00 0.00 55.06 53.48 1nh5 s HIS 34 Cb 0.00 -0.53 0.12 0.00 1.11 0.00 0.00 32.58 33.28 1nh5 s HIS 34 CO 0.00 -0.59 0.37 0.00 -0.85 0.00 0.00 174.74 173.67 1nh5 s TYR 36 N 1.41 2.85 -1.15 0.00 6.14 0.22 -4.62 117.35 122.19 1nh5 s TYR 36 Ca 0.05 -0.39 -0.27 0.00 0.64 0.00 0.00 57.07 57.10 1nh5 s TYR 36 Cb -0.27 -1.81 0.02 0.00 0.42 0.00 0.00 41.96 40.33 1nh5 s TYR 36 CO 0.00 -0.03 0.71 0.00 0.64 0.00 0.00 175.55 176.88 1nh5 n ALA 37 N 3.12 -2.61 -3.62 3.97 0.00 -1.26 0.31 120.51 120.42 1nh5 n ALA 37 Ca -0.18 -0.44 -0.18 0.00 0.00 0.00 0.00 53.44 52.64 1nh5 n ALA 37 Cb 0.53 -2.94 -0.02 0.00 0.00 0.00 0.00 19.45 17.02 1nh5 n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nh5 n MET 38 N -4.54 -0.82 -3.70 0.00 0.00 -1.26 -4.91 117.12 101.90 1nh5 n MET 38 Ca -0.12 -0.12 -0.13 0.00 0.00 0.00 0.00 57.70 57.33 1nh5 n MET 38 Cb 0.58 -1.10 -0.09 0.00 0.00 0.00 0.00 33.22 32.61 1nh5 n MET 38 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1nh5 s SER 39 N -3.99 -0.54 -0.77 3.17 0.01 0.15 -4.31 113.70 107.43 1nh5 s SER 39 Ca 0.12 1.04 -0.26 0.00 1.31 0.00 0.00 55.95 58.15 1nh5 s SER 39 Cb -0.06 1.04 0.01 0.00 0.21 0.00 0.00 66.02 67.22 1nh5 s SER 39 CO 0.45 -0.18 1.56 0.00 0.41 0.00 0.00 173.24 175.49 1nh5 s TYR 41 N 7.15 2.21 0.38 0.00 5.04 0.11 -4.34 117.35 127.90 1nh5 s TYR 41 Ca 0.51 -0.09 -0.06 0.00 -2.44 0.00 0.00 57.07 54.99 1nh5 s TYR 41 Cb -0.08 -4.51 -0.05 0.00 0.35 0.00 0.00 41.96 37.67 1nh5 s TYR 41 CO 0.11 -2.04 0.67 0.00 -1.34 0.00 0.00 175.55 172.95 1nh5 s GLU 43 N -4.02 0.56 0.00 0.00 2.02 0.14 -0.93 118.70 116.46 1nh5 s GLU 43 Ca 0.46 -0.09 0.00 0.00 0.02 0.00 0.00 54.97 55.36 1nh5 s GLU 43 Cb -0.10 -0.60 0.00 0.00 0.10 0.00 0.00 34.13 33.53 1nh5 s GLU 43 CO 0.35 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 176.01 1nh5 n GLY 44 N 3.68 0.92 3.95 -1.39 0.00 0.02 -0.78 105.19 111.58 1nh5 n GLY 44 Ca -0.22 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.60 4.14 0.66 0.99 1.02 0.38 -2.51 118.68 120.75 1nh5 s LEU 45 Ca 0.00 0.34 -0.12 0.00 0.02 0.00 0.00 54.13 54.36 1nh5 s LEU 45 Cb 0.00 -3.16 -0.01 0.00 0.02 0.00 0.00 46.19 43.04 1nh5 s LEU 45 CO 0.00 -0.19 1.06 -2.16 0.02 0.00 0.00 176.35 175.08 1nh5 s PRO 46 N -4.05 3.10 0.00 1.29 0.04 -1.26 -3.92 135.00 130.20 1nh5 s PRO 46 Ca 0.38 1.03 0.30 0.00 0.04 0.00 0.00 61.00 62.75 1nh5 s PRO 46 Cb -0.10 -2.01 1.42 0.00 0.04 0.00 0.00 34.50 33.85 1nh5 s PRO 46 CO 0.33 -0.98 2.00 0.39 0.04 0.00 0.00 177.00 178.79 1nh5 n GLU 47 N -2.73 0.32 0.15 4.56 1.02 -1.26 -2.00 120.64 120.70 1nh5 n GLU 47 Ca 0.08 -0.01 0.12 0.00 -0.02 0.00 0.00 57.16 57.33 1nh5 n GLU 47 Cb 0.53 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.71 1nh5 n GLU 47 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 1nh5 h ASN 48 N 0.03 0.00 -3.32 1.62 -1.07 -2.02 -3.45 115.58 107.37 1nh5 h ASN 48 Ca 0.00 -0.02 -0.56 0.00 0.07 0.00 0.00 56.30 55.80 1nh5 h ASN 48 Cb 0.35 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.56 1nh5 h ASN 48 CO 0.00 0.01 0.42 0.00 0.07 0.00 0.00 177.43 177.93 1nh5 s ALA 49 N -3.17 3.34 -0.19 4.14 0.00 -0.85 -5.00 121.76 120.04 1nh5 s ALA 49 Ca 0.08 0.34 -0.29 0.00 0.00 0.00 0.00 51.96 52.09 1nh5 s ALA 49 Cb 0.09 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1nh5 s ALA 49 CO 0.65 -0.44 1.08 0.21 0.00 0.00 0.00 175.76 177.27 1nh5 s LYS 50 N 1.58 4.28 0.16 0.00 2.47 -1.26 -4.98 119.74 121.99 1nh5 s LYS 50 Ca 0.46 1.44 0.08 0.00 -1.56 0.00 0.00 55.97 56.39 1nh5 s LYS 50 Cb -0.19 -3.64 -0.04 0.00 -1.46 0.00 0.00 37.83 32.50 1nh5 s LYS 50 CO 0.20 -0.59 -0.18 0.14 0.16 0.00 0.00 175.35 175.09 1nh5 s VAL 51 N 3.02 1.75 0.19 4.02 -7.23 -1.26 -1.36 120.40 119.52 1nh5 s VAL 51 Ca 0.47 -1.87 -0.12 0.00 -1.81 0.00 0.00 61.98 58.65 1nh5 s VAL 51 Cb -0.17 -1.79 -0.07 0.00 0.56 0.00 0.00 36.38 34.91 1nh5 s VAL 51 CO 0.10 -0.32 0.55 -0.55 -0.31 0.00 0.00 175.10 174.57 1nh5 s SER 52 N -2.60 6.72 -0.23 4.85 0.15 0.84 -4.89 113.70 118.53 1nh5 s SER 52 Ca 0.14 0.99 0.20 0.00 0.70 0.00 0.00 55.95 57.99 1nh5 s SER 52 Cb -0.06 -2.25 0.45 0.00 -1.71 0.00 0.00 66.02 62.45 1nh5 s SER 52 CO 0.06 0.01 1.21 -0.90 1.20 0.00 0.00 173.24 174.83 1nh5 n ASP 53 N 0.32 0.66 -2.88 5.45 5.75 -1.26 -0.39 116.55 124.19 1nh5 n ASP 53 Ca -0.02 -2.06 -0.12 0.00 -0.01 0.00 0.00 54.79 52.57 1nh5 n ASP 53 Cb 0.52 -0.14 0.04 0.00 -1.03 0.00 0.00 41.12 40.51 1nh5 n ASP 53 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1nh5 n SER 54 N -0.65 -0.66 -3.55 -1.12 3.41 -1.26 -5.01 113.62 104.78 1nh5 n SER 54 Ca -0.01 -3.16 -0.20 0.00 -0.26 0.00 0.00 58.87 55.24 1nh5 n SER 54 Cb 0.86 0.58 0.06 0.00 -0.26 0.00 0.00 64.21 65.45 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 0.15 -2.12 -3.29 7.33 0.00 -1.26 -3.12 120.51 118.19 1nh5 n ALA 55 Ca 0.12 -0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.31 1nh5 n ALA 55 Cb 0.72 -2.78 0.06 0.00 0.00 0.00 0.00 19.45 17.45 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 -4.08 -8.84 1.00 0.00 -1.04 -1.26 -4.88 114.28 95.19 1nh5 n THR 56 Ca -0.25 -1.13 0.13 0.00 -2.04 0.00 0.00 64.05 60.76 1nh5 n THR 56 Cb 0.66 -6.26 0.45 0.00 -1.82 0.00 0.00 70.33 63.36 1nh5 n THR 56 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1nh5 n ASN 57 N -2.94 0.23 -4.44 8.00 6.94 -1.18 -3.79 115.26 118.08 1nh5 n ASN 57 Ca -0.07 0.16 -0.29 0.00 -0.02 0.00 0.00 54.58 54.37 1nh5 n ASN 57 Cb 0.60 -0.16 -0.12 0.00 -2.36 0.00 0.00 39.78 37.74 1nh5 n ASN 57 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1nh5 s ILE 58 N -3.00 2.52 0.22 1.53 1.01 -1.26 -4.28 121.20 117.94 1nh5 s ILE 58 Ca 0.13 -1.70 -0.13 0.00 0.00 0.00 0.00 60.65 58.95 1nh5 s ILE 58 Cb 0.18 -2.15 0.28 0.00 0.01 0.00 0.00 42.46 40.78 1nh5 s ILE 58 CO 0.61 0.06 1.38 0.00 0.00 0.00 0.00 174.94 176.99