#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 2.11 0.00 -5.58 1.11 -1.26 -0.32 116.67 112.72 1nh5 s ASP 2 Ca 0.00 -0.61 0.00 0.00 0.18 0.00 0.00 52.55 52.12 1nh5 s ASP 2 Cb 0.00 -0.11 0.00 0.00 1.07 0.00 0.00 42.92 43.88 1nh5 s ASP 2 CO 0.00 0.02 0.00 0.61 1.18 0.00 0.00 175.17 176.98 1nh5 n GLY 3 N 1.36 -0.70 3.10 0.21 0.00 -1.14 -4.97 105.19 103.06 1nh5 n GLY 3 Ca -0.20 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.00 3.61 0.57 1.61 2.02 0.44 -2.29 117.35 120.31 1nh5 s TYR 4 Ca 0.00 -2.50 -0.16 0.00 -0.37 0.00 0.00 57.07 54.03 1nh5 s TYR 4 Cb 0.00 -3.11 -0.05 0.00 -0.40 0.00 0.00 41.96 38.40 1nh5 s TYR 4 CO 0.00 -0.96 1.05 -1.25 -1.57 0.00 0.00 175.55 172.82 1nh5 s PRO 5 N 1.10 3.44 -0.02 -1.71 0.04 -1.26 -1.63 135.00 134.96 1nh5 s PRO 5 Ca 0.08 1.19 0.01 0.00 0.04 0.00 0.00 61.00 62.32 1nh5 s PRO 5 Cb -0.22 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.28 1nh5 s PRO 5 CO -0.05 -0.71 -0.05 0.14 0.04 0.00 0.00 177.00 176.38 1nh5 s VAL 6 N -2.43 0.44 0.00 -0.36 -7.23 -1.25 -4.45 120.40 105.12 1nh5 s VAL 6 Ca 0.63 -0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.64 1nh5 s VAL 6 Cb -0.15 -0.43 0.00 0.00 0.56 0.00 0.00 36.38 36.36 1nh5 s VAL 6 CO 0.35 0.16 0.00 -0.90 -0.31 0.00 0.00 175.10 174.40 1nh5 n ASP 7 N 3.45 0.00 0.02 4.85 5.68 -1.26 -4.83 116.55 124.47 1nh5 n ASP 7 Ca -0.19 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.02 1nh5 n ASP 7 Cb 0.55 0.18 -0.13 0.00 -1.14 0.00 0.00 41.12 40.57 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 0.00 1.56 -1.12 4.64 -2.03 -3.32 113.55 113.28 1nh5 h SER 8 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nh5 h SER 8 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1nh5 h SER 8 CO 0.00 1.00 -0.28 0.07 -0.87 0.00 0.00 176.83 176.75 1nh5 h LYS 9 N 0.00 0.00 0.00 4.77 -0.00 -1.92 -3.47 116.57 115.95 1nh5 h LYS 9 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.52 1nh5 h LYS 9 Cb 1.88 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 34.11 1nh5 h LYS 9 CO 0.11 0.00 0.00 0.41 -0.00 0.00 0.00 179.45 179.97 1nh5 n GLY 10 N 1.18 2.33 2.59 0.07 0.00 -1.25 -3.87 105.19 106.24 1nh5 n GLY 10 Ca 0.03 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.00 -1.58 -3.93 0.00 4.01 -1.25 -4.79 118.16 110.61 1nh5 n LYS 12 Ca 0.28 1.20 -0.35 0.00 -0.51 0.00 0.00 58.31 58.93 1nh5 n LYS 12 Cb 0.52 -1.88 -0.13 0.00 -0.51 0.00 0.00 35.03 33.03 1nh5 n LYS 12 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1nh5 s LEU 13 N -6.03 3.32 0.37 -0.35 1.43 -1.26 -4.95 118.68 111.21 1nh5 s LEU 13 Ca 0.00 -0.21 0.07 0.00 -1.03 0.00 0.00 54.13 52.96 1nh5 s LEU 13 Cb 0.00 -1.86 0.71 0.00 0.03 0.00 0.00 46.19 45.07 1nh5 s LEU 13 CO 0.00 0.02 1.92 0.77 0.23 0.00 0.00 176.35 179.29 1nh5 h SER 14 N 7.80 0.40 -3.94 2.29 4.64 -1.87 -2.35 113.55 120.52 1nh5 h SER 14 Ca -0.37 -0.06 0.02 0.00 -0.47 0.00 0.00 61.79 60.90 1nh5 h SER 14 Cb 1.17 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1nh5 h SER 14 CO 0.60 0.46 -0.34 0.00 -0.87 0.00 0.00 176.83 176.68 1nh5 n VAL 16 N -2.02 0.00 -3.64 0.00 0.31 -1.26 -5.03 118.33 106.69 1nh5 n VAL 16 Ca -0.01 -0.48 -0.08 0.00 -0.01 0.00 0.00 64.34 63.77 1nh5 n VAL 16 Cb 0.17 0.04 -0.02 0.00 -0.91 0.00 0.00 33.84 33.13 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 -3.48 -1.53 0.33 3.52 0.00 -1.26 -5.03 121.76 114.32 1nh5 s ALA 17 Ca -0.07 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.15 1nh5 s ALA 17 Cb 0.14 0.75 0.60 0.00 0.00 0.00 0.00 23.12 24.60 1nh5 s ALA 17 CO 0.90 -0.90 1.98 -0.91 0.00 0.00 0.00 175.76 176.83 1nh5 h ASN 18 N 2.00 0.79 0.61 0.00 4.21 -1.96 -1.59 115.58 119.64 1nh5 h ASN 18 Ca -0.25 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.25 1nh5 h ASN 18 Cb 1.26 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 38.27 1nh5 h ASN 18 CO 0.29 0.56 -0.69 -0.46 -1.29 0.00 0.00 177.43 175.84 1nh5 n ASN 19 N -4.44 0.61 0.24 5.81 0.23 -1.26 -1.22 115.26 115.23 1nh5 n ASN 19 Ca 0.09 -0.12 0.09 0.00 -0.53 0.00 0.00 54.58 54.11 1nh5 n ASN 19 Cb 0.09 0.37 0.61 0.00 -2.08 0.00 0.00 39.78 38.77 1nh5 n ASN 19 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1nh5 h TYR 20 N 0.00 0.00 -0.43 -2.53 5.03 -1.67 0.13 116.97 117.50 1nh5 h TYR 20 Ca 0.00 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.27 1nh5 h TYR 20 Cb 0.65 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.91 1nh5 h TYR 20 CO 0.00 0.18 0.11 0.00 -1.32 0.00 0.00 178.16 177.13 1nh5 h ASP 22 N 0.55 0.08 0.29 0.00 3.58 -0.81 0.74 116.42 120.85 1nh5 h ASP 22 Ca 0.14 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.53 1nh5 h ASP 22 Cb 0.30 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 1nh5 h ASP 22 CO -0.00 0.07 -0.28 -0.55 -2.88 0.00 0.00 179.24 175.60 1nh5 h ASN 23 N 0.13 0.00 1.40 2.28 -1.07 -1.67 0.35 115.58 117.00 1nh5 h ASN 23 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.43 1nh5 h ASN 23 Cb 0.02 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.27 1nh5 h ASN 23 CO -0.05 0.28 -0.55 -0.61 0.07 0.00 0.00 177.43 176.58 1nh5 h GLN 24 N 0.00 0.00 0.05 4.14 4.15 -0.66 -3.12 115.11 119.66 1nh5 h GLN 24 Ca -0.00 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.31 1nh5 h GLN 24 Cb 0.50 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.19 1nh5 h GLN 24 CO 0.04 0.00 -0.55 0.00 -1.93 0.00 0.00 178.83 176.38 1nh5 h LYS 26 N -0.77 0.00 0.00 0.00 2.10 -1.01 0.19 116.57 117.08 1nh5 h LYS 26 Ca -0.12 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.52 1nh5 h LYS 26 Cb 1.29 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1nh5 h LYS 26 CO 0.01 0.00 -0.04 0.00 -2.00 0.00 0.00 179.45 177.42 1nh5 h MET 27 N 0.00 0.00 0.00 0.07 -0.00 -1.72 -3.42 114.93 109.86 1nh5 h MET 27 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1nh5 h MET 27 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.21 1nh5 h MET 27 CO 0.00 0.04 0.00 0.36 -0.00 0.00 0.00 176.91 177.31 1nh5 n LYS 28 N -3.33 0.00 -0.22 -0.10 -0.00 -1.13 -5.01 118.16 108.38 1nh5 n LYS 28 Ca -0.02 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.31 1nh5 n LYS 28 Cb 0.17 0.00 0.14 0.00 -0.00 0.00 0.00 35.03 35.34 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 0.30 0.00 -1.58 1.79 -1.35 -3.45 116.57 112.29 1nh5 h LYS 29 Ca 0.00 -0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.40 1nh5 h LYS 29 Cb 0.00 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 1nh5 h LYS 29 CO 0.00 0.20 -0.03 0.00 -1.08 0.00 0.00 179.45 178.54 1nh5 n ALA 30 N -2.58 -0.04 0.08 3.86 0.00 0.51 -4.52 120.51 117.82 1nh5 n ALA 30 Ca 0.11 -0.29 -0.15 0.00 0.00 0.00 0.00 53.44 53.11 1nh5 n ALA 30 Cb 0.36 0.23 -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 0.77 0.00 0.00 0.00 177.50 178.27 1nh5 h SER 31 N 0.34 0.37 0.00 0.00 0.02 -1.03 -3.36 113.55 109.89 1nh5 h SER 31 Ca -0.05 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1nh5 h SER 31 Cb 0.21 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1nh5 h SER 31 CO 0.06 1.36 0.00 0.61 -1.14 0.00 0.00 176.83 177.73 1nh5 n GLY 32 N 1.59 1.75 0.00 -3.77 0.00 -0.14 -4.58 105.19 100.04 1nh5 n GLY 32 Ca -0.12 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 0.05 3.26 -0.02 0.00 -1.26 0.03 105.19 107.25 1nh5 n GLY 33 Ca 0.00 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.77 0.38 -0.52 1.61 3.76 -0.30 -3.75 115.29 113.71 1nh5 s HIS 34 Ca 0.00 -0.78 -0.19 0.00 -0.15 0.00 0.00 55.06 53.94 1nh5 s HIS 34 Cb 0.00 -0.13 0.06 0.00 1.11 0.00 0.00 32.58 33.62 1nh5 s HIS 34 CO 0.00 -0.62 0.66 0.00 -0.85 0.00 0.00 174.74 173.93 1nh5 s TYR 36 N 2.74 3.05 -1.51 0.00 6.14 0.86 -4.54 117.35 124.09 1nh5 s TYR 36 Ca 0.16 -0.14 -0.01 0.00 0.64 0.00 0.00 57.07 57.72 1nh5 s TYR 36 Cb -0.19 -1.89 0.01 0.00 0.42 0.00 0.00 41.96 40.31 1nh5 s TYR 36 CO 0.12 0.13 0.19 0.00 0.64 0.00 0.00 175.55 176.63 1nh5 n ALA 37 N 3.06 -1.96 -3.79 3.97 0.00 -1.26 -0.12 120.51 120.41 1nh5 n ALA 37 Ca -0.18 -0.35 -0.27 0.00 0.00 0.00 0.00 53.44 52.65 1nh5 n ALA 37 Cb 0.53 -1.17 0.05 0.00 0.00 0.00 0.00 19.45 18.85 1nh5 n ALA 37 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1nh5 n MET 38 N -4.50 -6.26 -3.73 0.00 1.56 -1.26 -4.98 117.12 97.96 1nh5 n MET 38 Ca -0.30 0.68 -0.13 0.00 -0.27 0.00 0.00 57.70 57.68 1nh5 n MET 38 Cb 0.68 -5.59 -0.10 0.00 2.15 0.00 0.00 33.22 30.36 1nh5 n MET 38 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 1nh5 s SER 39 N -3.45 -0.42 -0.70 6.12 0.01 0.83 -4.48 113.70 111.61 1nh5 s SER 39 Ca 0.56 0.80 -0.26 0.00 1.31 0.00 0.00 55.95 58.35 1nh5 s SER 39 Cb -0.27 0.82 -0.01 0.00 0.21 0.00 0.00 66.02 66.77 1nh5 s SER 39 CO 0.80 -0.17 1.71 0.00 0.41 0.00 0.00 173.24 175.99 1nh5 s TYR 41 N 8.17 2.65 0.43 0.00 5.04 0.18 -4.53 117.35 129.29 1nh5 s TYR 41 Ca 0.58 -0.84 -0.14 0.00 -2.44 0.00 0.00 57.07 54.23 1nh5 s TYR 41 Cb -0.10 -4.55 -0.08 0.00 0.35 0.00 0.00 41.96 37.58 1nh5 s TYR 41 CO 0.15 -1.82 0.85 0.00 -1.34 0.00 0.00 175.55 173.39 1nh5 s GLU 43 N -3.71 0.38 0.00 0.00 2.02 0.11 -2.87 118.70 114.63 1nh5 s GLU 43 Ca 0.55 0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.58 1nh5 s GLU 43 Cb -0.10 -0.52 0.00 0.00 0.10 0.00 0.00 34.13 33.61 1nh5 s GLU 43 CO 0.27 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.85 1nh5 n GLY 44 N 4.03 1.00 3.84 -1.39 0.00 0.00 -0.95 105.19 111.73 1nh5 n GLY 44 Ca -0.26 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.43 3.64 0.62 0.99 1.43 0.56 -3.28 118.68 122.21 1nh5 s LEU 45 Ca 0.00 1.56 -0.14 0.00 -1.03 0.00 0.00 54.13 54.52 1nh5 s LEU 45 Cb 0.00 -4.49 -0.02 0.00 0.03 0.00 0.00 46.19 41.70 1nh5 s LEU 45 CO 0.00 -0.58 1.05 -2.16 0.23 0.00 0.00 176.35 174.90 1nh5 s PRO 46 N -4.05 3.23 0.00 1.29 0.04 -1.26 -0.92 135.00 133.33 1nh5 s PRO 46 Ca 0.59 1.09 0.28 0.00 0.04 0.00 0.00 61.00 63.00 1nh5 s PRO 46 Cb -0.10 -2.03 1.02 0.00 0.04 0.00 0.00 34.50 33.43 1nh5 s PRO 46 CO 0.31 -0.87 1.73 0.39 0.04 0.00 0.00 177.00 178.59 1nh5 n GLU 47 N -2.40 0.84 0.16 4.56 1.02 -1.26 -3.16 120.64 120.40 1nh5 n GLU 47 Ca 0.08 -0.40 0.03 0.00 -0.02 0.00 0.00 57.16 56.84 1nh5 n GLU 47 Cb 0.53 -1.49 0.20 0.00 -0.02 0.00 0.00 31.44 30.66 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 0.99 0.00 -3.46 1.62 -1.07 -2.05 -3.44 115.58 108.17 1nh5 h ASN 48 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 56.30 55.83 1nh5 h ASN 48 Cb 0.43 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.64 1nh5 h ASN 48 CO 0.00 0.51 0.07 0.00 0.07 0.00 0.00 177.43 178.08 1nh5 s ALA 49 N -3.39 3.48 0.17 4.14 0.00 -1.19 -5.07 121.76 119.89 1nh5 s ALA 49 Ca 0.01 0.15 -0.08 0.00 0.00 0.00 0.00 51.96 52.04 1nh5 s ALA 49 Cb 0.11 -2.78 -0.06 0.00 0.00 0.00 0.00 23.12 20.38 1nh5 s ALA 49 CO 0.72 0.35 0.46 -1.59 0.00 0.00 0.00 175.76 175.71 1nh5 s LYS 50 N -1.58 3.74 0.08 0.00 0.00 -1.26 -4.99 119.74 115.73 1nh5 s LYS 50 Ca 0.37 0.14 0.01 0.00 0.00 0.00 0.00 55.97 56.50 1nh5 s LYS 50 Cb -0.19 -2.79 -0.04 0.00 0.00 0.00 0.00 37.83 34.81 1nh5 s LYS 50 CO 0.22 0.42 -0.06 0.14 0.00 0.00 0.00 175.35 176.06 1nh5 s VAL 51 N -1.67 0.56 0.51 1.79 -7.23 -1.26 -3.93 120.40 109.17 1nh5 s VAL 51 Ca 0.42 -1.70 -0.08 0.00 -1.81 0.00 0.00 61.98 58.82 1nh5 s VAL 51 Cb -0.12 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.40 1nh5 s VAL 51 CO 0.22 -0.78 0.85 -0.55 -0.31 0.00 0.00 175.10 174.53 1nh5 s SER 52 N -2.66 6.29 -0.19 4.85 0.15 -0.65 -4.87 113.70 116.63 1nh5 s SER 52 Ca 0.05 1.10 0.18 0.00 0.70 0.00 0.00 55.95 57.99 1nh5 s SER 52 Cb 0.02 -2.32 0.41 0.00 -1.71 0.00 0.00 66.02 62.41 1nh5 s SER 52 CO -0.04 -0.64 1.21 -0.90 1.20 0.00 0.00 173.24 174.07 1nh5 n ASP 53 N -2.26 0.41 -2.74 5.45 5.75 -1.26 -0.42 116.55 121.48 1nh5 n ASP 53 Ca 0.02 -2.06 -0.08 0.00 -0.01 0.00 0.00 54.79 52.67 1nh5 n ASP 53 Cb 0.55 -0.07 0.06 0.00 -1.03 0.00 0.00 41.12 40.63 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 -0.52 -2.59 -3.55 -1.12 3.41 -1.26 -5.00 113.62 102.99 1nh5 n SER 54 Ca -0.03 -3.20 -0.21 0.00 -0.26 0.00 0.00 58.87 55.16 1nh5 n SER 54 Cb 0.88 1.73 0.05 0.00 -0.26 0.00 0.00 64.21 66.62 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 1.34 -2.24 0.00 7.33 0.00 -1.26 -3.79 120.51 121.90 1nh5 n ALA 55 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1nh5 n ALA 55 Cb 0.66 -3.37 0.00 0.00 0.00 0.00 0.00 19.45 16.73 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 -3.98 0.00 -4.30 0.00 -1.04 -1.26 -4.68 114.28 99.02 1nh5 n THR 56 Ca -0.20 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.42 1nh5 n THR 56 Cb 0.65 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.08 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 3.26 -1.71 -3.87 8.00 0.23 -1.25 -4.85 115.26 115.07 1nh5 n ASN 57 Ca 0.00 -1.08 -0.12 0.00 -0.53 0.00 0.00 54.58 52.85 1nh5 n ASN 57 Cb 0.00 -1.51 -0.13 0.00 -2.08 0.00 0.00 39.78 36.06 1nh5 n ASN 57 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1nh5 s ILE 58 N -3.08 0.01 0.00 1.53 1.01 -1.26 -4.92 121.20 114.49 1nh5 s ILE 58 Ca 0.75 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 61.28 1nh5 s ILE 58 Cb -0.44 -0.09 0.00 0.00 0.01 0.00 0.00 42.46 41.95 1nh5 s ILE 58 CO 0.92 -0.06 0.00 0.00 0.00 0.00 0.00 174.94 175.80