#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 -0.25 0.00 3.14 1.11 -1.26 -0.48 116.67 118.93 1nh5 s ASP 2 Ca 0.00 -0.02 0.00 0.00 0.18 0.00 0.00 52.55 52.71 1nh5 s ASP 2 Cb 0.00 0.40 0.00 0.00 1.07 0.00 0.00 42.92 44.39 1nh5 s ASP 2 CO 0.00 -0.63 0.00 0.61 1.18 0.00 0.00 175.17 176.33 1nh5 n GLY 3 N 0.60 0.40 3.17 0.21 0.00 -0.26 -4.61 105.19 104.70 1nh5 n GLY 3 Ca -0.19 -1.25 -0.36 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.92 3.43 0.38 1.61 1.51 -0.16 -0.20 117.35 122.99 1nh5 s TYR 4 Ca 0.00 -2.05 -0.25 0.00 -1.01 0.00 0.00 57.07 53.76 1nh5 s TYR 4 Cb 0.00 -2.73 -0.09 0.00 -0.11 0.00 0.00 41.96 39.03 1nh5 s TYR 4 CO 0.00 -0.88 1.06 -1.25 -1.11 0.00 0.00 175.55 173.37 1nh5 s PRO 5 N 1.23 4.24 -0.04 -1.71 0.04 -1.26 -1.05 135.00 136.44 1nh5 s PRO 5 Ca 0.02 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 62.61 1nh5 s PRO 5 Cb -0.21 -2.65 0.02 0.00 0.04 0.00 0.00 34.50 31.70 1nh5 s PRO 5 CO -0.02 -0.09 0.10 0.14 0.04 0.00 0.00 177.00 177.17 1nh5 s VAL 6 N -1.57 -0.03 0.04 -0.36 -7.23 0.31 -4.84 120.40 106.72 1nh5 s VAL 6 Ca 0.56 0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.82 1nh5 s VAL 6 Cb -0.24 -0.16 0.00 0.00 0.56 0.00 0.00 36.38 36.54 1nh5 s VAL 6 CO 0.30 0.04 0.00 -0.90 -0.31 0.00 0.00 175.10 174.23 1nh5 n ASP 7 N 3.62 -0.35 0.06 4.85 5.75 -1.26 -4.19 116.55 125.04 1nh5 n ASP 7 Ca -0.20 0.11 -0.11 0.00 -0.01 0.00 0.00 54.79 54.58 1nh5 n ASP 7 Cb 0.55 0.59 0.00 0.00 -1.03 0.00 0.00 41.12 41.23 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 0.47 1.36 -1.12 4.64 -1.99 -3.11 113.55 113.79 1nh5 h SER 8 Ca 0.00 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1nh5 h SER 8 Cb 0.00 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 1nh5 h SER 8 CO 0.00 1.10 -0.50 0.07 -0.87 0.00 0.00 176.83 176.62 1nh5 h LYS 9 N 0.25 0.00 0.00 4.77 2.10 -1.93 -3.47 116.57 118.28 1nh5 h LYS 9 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1nh5 h LYS 9 Cb 1.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.73 1nh5 h LYS 9 CO 0.14 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 178.00 1nh5 n GLY 10 N 1.19 2.00 3.51 0.07 0.00 -1.18 -4.84 105.19 105.96 1nh5 n GLY 10 Ca 0.02 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.79 1.66 -4.05 0.00 3.00 -1.26 -4.94 118.16 111.77 1nh5 n LYS 12 Ca -0.03 0.58 -0.35 0.00 -0.00 0.00 0.00 58.31 58.51 1nh5 n LYS 12 Cb 0.67 -2.05 -0.10 0.00 0.00 0.00 0.00 35.03 33.54 1nh5 n LYS 12 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1nh5 s LEU 13 N -0.07 3.70 -1.08 3.14 0.05 -1.26 -5.03 118.68 118.12 1nh5 s LEU 13 Ca 0.59 0.02 -0.19 0.00 0.05 0.00 0.00 54.13 54.60 1nh5 s LEU 13 Cb -0.66 -1.93 0.10 0.00 -2.05 0.00 0.00 46.19 41.65 1nh5 s LEU 13 CO 0.60 0.16 1.41 -0.94 -0.55 0.00 0.00 176.35 177.03 1nh5 s SER 14 N 0.47 6.70 0.51 1.48 1.04 -1.26 -2.54 113.70 120.10 1nh5 s SER 14 Ca 0.02 -2.07 -0.22 0.00 0.48 0.00 0.00 55.95 54.16 1nh5 s SER 14 Cb -0.13 -2.50 -0.06 0.00 0.10 0.00 0.00 66.02 63.44 1nh5 s SER 14 CO 0.01 -1.19 1.25 0.00 0.98 0.00 0.00 173.24 174.29 1nh5 n VAL 16 N -0.83 1.02 -3.55 0.00 0.31 -1.26 -4.80 118.33 109.22 1nh5 n VAL 16 Ca 0.09 -1.17 -0.12 0.00 -0.01 0.00 0.00 64.34 63.13 1nh5 n VAL 16 Cb 0.47 0.28 -0.05 0.00 -0.91 0.00 0.00 33.84 33.62 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 -1.41 -1.87 0.03 3.52 0.00 -1.26 -5.05 121.76 115.72 1nh5 s ALA 17 Ca 0.13 1.45 -0.20 0.00 0.00 0.00 0.00 51.96 53.34 1nh5 s ALA 17 Cb 0.11 -0.39 -0.16 0.00 0.00 0.00 0.00 23.12 22.68 1nh5 s ALA 17 CO 0.01 -0.37 1.29 -0.91 0.00 0.00 0.00 175.76 175.79 1nh5 h ASN 18 N 2.62 0.44 0.22 0.00 4.21 -1.97 -2.77 115.58 118.35 1nh5 h ASN 18 Ca -0.21 -0.55 -0.04 0.00 1.21 0.00 0.00 56.30 56.70 1nh5 h ASN 18 Cb 1.17 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 38.23 1nh5 h ASN 18 CO 0.33 0.91 -0.21 -0.55 -1.29 0.00 0.00 177.43 176.62 1nh5 h ASN 19 N -0.01 0.00 1.25 5.81 7.08 -1.97 -0.01 115.58 127.73 1nh5 h ASN 19 Ca 0.01 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.23 1nh5 h ASN 19 Cb 0.83 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.07 1nh5 h ASN 19 CO 0.05 0.21 0.00 0.00 -2.08 0.00 0.00 177.43 175.62 1nh5 n TYR 20 N -4.25 0.65 -0.09 4.14 9.36 -1.07 -1.10 117.16 124.80 1nh5 n TYR 20 Ca -0.02 0.20 -0.16 0.00 3.32 0.00 0.00 57.90 61.23 1nh5 n TYR 20 Cb 0.27 -0.82 -0.08 0.00 -0.63 0.00 0.00 39.34 38.08 1nh5 n TYR 20 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1nh5 h ASP 22 N -1.00 0.64 -0.36 0.00 3.58 -0.83 0.14 116.42 118.60 1nh5 h ASP 22 Ca -0.24 -0.08 -0.06 0.00 0.42 0.00 0.00 57.03 57.08 1nh5 h ASP 22 Cb 1.04 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.91 1nh5 h ASP 22 CO -0.15 0.59 0.04 -0.55 -2.88 0.00 0.00 179.24 176.29 1nh5 h ASN 23 N 0.70 0.66 0.49 2.28 -1.07 -1.36 0.48 115.58 117.75 1nh5 h ASN 23 Ca 0.17 -0.13 -0.24 0.00 0.07 0.00 0.00 56.30 56.17 1nh5 h ASN 23 Cb 0.15 -0.17 0.00 0.00 -2.07 0.00 0.00 38.32 36.23 1nh5 h ASN 23 CO -0.02 0.70 -1.04 -0.61 0.07 0.00 0.00 177.43 176.54 1nh5 h GLN 24 N 0.67 0.32 0.49 4.14 4.15 -1.03 -2.33 115.11 121.52 1nh5 h GLN 24 Ca 0.14 -0.41 -0.02 0.00 0.77 0.00 0.00 58.65 59.13 1nh5 h GLN 24 Cb 0.35 0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.18 1nh5 h GLN 24 CO 0.01 1.12 -0.24 0.00 -1.93 0.00 0.00 178.83 177.79 1nh5 h LYS 26 N -0.82 0.00 -0.62 0.00 2.10 -0.97 0.25 116.57 116.51 1nh5 h LYS 26 Ca -0.07 0.00 0.13 0.00 -2.00 0.00 0.00 60.65 58.71 1nh5 h LYS 26 Cb 0.57 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 31.79 1nh5 h LYS 26 CO 0.11 0.00 -0.11 1.98 -2.00 0.00 0.00 179.45 179.43 1nh5 h MET 27 N 0.00 0.03 0.00 0.07 4.05 -1.36 -3.45 114.93 114.27 1nh5 h MET 27 Ca 0.00 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1nh5 h MET 27 Cb 0.56 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.35 1nh5 h MET 27 CO 0.00 0.02 0.00 1.17 0.23 0.00 0.00 176.91 178.33 1nh5 n LYS 28 N -5.39 0.00 -0.17 0.39 0.00 -1.13 -4.97 118.16 106.90 1nh5 n LYS 28 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 58.31 58.37 1nh5 n LYS 28 Cb 0.33 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.44 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 0.29 0.00 1.64 1.79 -1.65 -3.46 116.57 115.18 1nh5 h LYS 29 Ca 0.00 -0.02 -0.29 0.00 -2.18 0.00 0.00 60.65 58.16 1nh5 h LYS 29 Cb 0.00 -0.07 -0.07 0.00 -1.58 0.00 0.00 32.23 30.51 1nh5 h LYS 29 CO 0.00 0.19 -0.17 0.00 -1.08 0.00 0.00 179.45 178.39 1nh5 n ALA 30 N -2.48 -0.24 0.07 3.86 0.00 0.87 -4.35 120.51 118.23 1nh5 n ALA 30 Ca 0.06 -1.61 -0.10 0.00 0.00 0.00 0.00 53.44 51.78 1nh5 n ALA 30 Cb 0.24 1.30 0.00 0.00 0.00 0.00 0.00 19.45 20.99 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 1.94 0.42 0.00 0.00 0.02 -1.45 -3.34 113.55 111.13 1nh5 h SER 31 Ca -0.26 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 1nh5 h SER 31 Cb 1.16 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1nh5 h SER 31 CO 0.36 1.08 0.00 0.61 -1.14 0.00 0.00 176.83 177.73 1nh5 n GLY 32 N 0.73 -1.34 0.00 -3.77 0.00 -1.21 -4.39 105.19 95.21 1nh5 n GLY 32 Ca -0.05 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.05 -0.74 3.40 -0.02 0.00 -1.26 -0.63 105.19 105.89 1nh5 n GLY 33 Ca 0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.00 -0.09 -0.66 1.61 3.76 -0.39 -4.19 115.29 112.33 1nh5 s HIS 34 Ca 0.00 -0.24 -0.24 0.00 -0.15 0.00 0.00 55.06 54.43 1nh5 s HIS 34 Cb 0.00 0.27 0.06 0.00 1.11 0.00 0.00 32.58 34.02 1nh5 s HIS 34 CO 0.00 -0.79 1.04 0.00 -0.85 0.00 0.00 174.74 174.14 1nh5 s TYR 36 N 4.47 3.15 0.30 0.00 5.04 -1.01 -4.90 117.35 124.40 1nh5 s TYR 36 Ca 0.27 1.46 0.03 0.00 -2.44 0.00 0.00 57.07 56.38 1nh5 s TYR 36 Cb -0.14 -2.91 0.60 0.00 0.35 0.00 0.00 41.96 39.86 1nh5 s TYR 36 CO 0.13 -1.02 1.85 0.00 -1.34 0.00 0.00 175.55 175.17 1nh5 h ALA 37 N 0.03 1.58 0.16 3.97 0.00 -1.95 -0.86 119.26 122.19 1nh5 h ALA 37 Ca -0.45 0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.17 1nh5 h ALA 37 Cb 1.21 -0.20 0.03 0.00 0.00 0.00 0.00 17.79 18.82 1nh5 h ALA 37 CO 0.58 0.19 -1.31 0.52 0.00 0.00 0.00 179.25 179.23 1nh5 h MET 38 N 0.94 0.50 -1.48 0.00 2.86 -1.93 -3.48 114.93 112.35 1nh5 h MET 38 Ca 0.47 -0.76 0.33 0.00 -2.06 0.00 0.00 59.70 57.69 1nh5 h MET 38 Cb 0.50 0.27 -0.12 0.00 0.06 0.00 0.00 31.60 32.31 1nh5 h MET 38 CO -0.24 1.35 0.84 -1.12 1.06 0.00 0.00 176.91 178.80 1nh5 s SER 39 N -7.40 -0.05 -0.15 1.22 0.01 -0.33 -4.65 113.70 102.35 1nh5 s SER 39 Ca -0.08 -0.14 -0.29 0.00 1.31 0.00 0.00 55.95 56.75 1nh5 s SER 39 Cb 0.06 0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.40 1nh5 s SER 39 CO 0.92 -0.29 1.60 0.00 0.41 0.00 0.00 173.24 175.89 1nh5 s TYR 41 N 4.62 3.24 0.16 0.00 5.04 -0.74 -4.57 117.35 125.09 1nh5 s TYR 41 Ca 0.71 0.33 0.06 0.00 -2.44 0.00 0.00 57.07 55.73 1nh5 s TYR 41 Cb -0.28 -2.51 -0.04 0.00 0.35 0.00 0.00 41.96 39.48 1nh5 s TYR 41 CO 0.28 -0.20 0.03 0.00 -1.34 0.00 0.00 175.55 174.31 1nh5 s GLU 43 N -2.85 0.32 0.00 0.00 2.12 0.20 -1.11 118.70 117.38 1nh5 s GLU 43 Ca 0.28 -0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.59 1nh5 s GLU 43 Cb -0.10 -0.41 0.00 0.00 0.26 0.00 0.00 34.13 33.88 1nh5 s GLU 43 CO 0.19 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.28 1nh5 n GLY 44 N 3.65 0.19 3.82 -1.50 0.00 -1.23 -3.27 105.19 106.85 1nh5 n GLY 44 Ca -0.21 -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 -1.66 3.83 0.67 0.99 1.02 0.37 -2.37 118.68 121.53 1nh5 s LEU 45 Ca 0.00 -0.17 -0.12 0.00 0.02 0.00 0.00 54.13 53.86 1nh5 s LEU 45 Cb 0.00 -2.41 -0.00 0.00 0.02 0.00 0.00 46.19 43.80 1nh5 s LEU 45 CO 0.00 0.02 1.06 -2.16 0.02 0.00 0.00 176.35 175.29 1nh5 s PRO 46 N -3.43 3.04 0.16 1.29 0.04 -1.26 -3.87 135.00 130.97 1nh5 s PRO 46 Ca 0.32 1.01 0.25 0.00 0.04 0.00 0.00 61.00 62.62 1nh5 s PRO 46 Cb -0.09 -2.00 0.92 0.00 0.04 0.00 0.00 34.50 33.36 1nh5 s PRO 46 CO 0.24 -1.02 1.76 0.39 0.04 0.00 0.00 177.00 178.42 1nh5 n GLU 47 N -2.86 0.17 0.20 4.56 1.02 -1.26 -2.11 120.64 120.36 1nh5 n GLU 47 Ca 0.08 0.23 0.08 0.00 -0.02 0.00 0.00 57.16 57.53 1nh5 n GLU 47 Cb 0.53 -1.73 0.31 0.00 -0.02 0.00 0.00 31.44 30.53 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 0.00 0.00 -3.38 1.62 -1.07 -2.01 -3.43 115.58 107.31 1nh5 h ASN 48 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 56.30 55.82 1nh5 h ASN 48 Cb 0.55 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.77 1nh5 h ASN 48 CO 0.00 0.27 0.32 0.00 0.07 0.00 0.00 177.43 178.09 1nh5 s ALA 49 N -3.41 3.25 -0.06 4.14 0.00 -0.90 -5.01 121.76 119.77 1nh5 s ALA 49 Ca 0.02 0.39 -0.24 0.00 0.00 0.00 0.00 51.96 52.13 1nh5 s ALA 49 Cb 0.09 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1nh5 s ALA 49 CO 0.67 -0.26 0.73 0.15 0.00 0.00 0.00 175.76 177.04 1nh5 s LYS 50 N 1.13 4.45 0.21 0.00 -0.14 -1.26 -4.95 119.74 119.18 1nh5 s LYS 50 Ca 0.47 0.93 0.06 0.00 -1.36 0.00 0.00 55.97 56.07 1nh5 s LYS 50 Cb -0.20 -3.45 -0.05 0.00 -1.68 0.00 0.00 37.83 32.46 1nh5 s LYS 50 CO 0.24 0.05 -0.08 0.14 -0.76 0.00 0.00 175.35 174.94 1nh5 s VAL 51 N 0.82 1.42 0.14 3.17 -7.23 -1.26 -0.53 120.40 116.92 1nh5 s VAL 51 Ca 0.39 -2.12 -0.06 0.00 -1.81 0.00 0.00 61.98 58.38 1nh5 s VAL 51 Cb -0.18 -2.16 -0.06 0.00 0.56 0.00 0.00 36.38 34.54 1nh5 s VAL 51 CO 0.19 -0.50 0.40 -0.55 -0.31 0.00 0.00 175.10 174.33 1nh5 s SER 52 N -3.31 6.53 -0.05 4.85 0.15 -0.21 -4.89 113.70 116.77 1nh5 s SER 52 Ca 0.24 0.66 0.25 0.00 0.70 0.00 0.00 55.95 57.80 1nh5 s SER 52 Cb 0.03 -2.12 0.44 0.00 -1.71 0.00 0.00 66.02 62.65 1nh5 s SER 52 CO 0.07 0.06 1.16 -0.90 1.20 0.00 0.00 173.24 174.83 1nh5 n ASP 53 N 0.22 1.05 -2.85 5.45 5.75 -1.26 -0.99 116.55 123.92 1nh5 n ASP 53 Ca -0.03 -2.00 -0.11 0.00 -0.01 0.00 0.00 54.79 52.63 1nh5 n ASP 53 Cb 0.52 -0.32 0.05 0.00 -1.03 0.00 0.00 41.12 40.34 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 0.30 -0.50 -3.37 -1.12 3.41 -1.26 -4.99 113.62 106.08 1nh5 n SER 54 Ca 0.05 -3.03 -0.18 0.00 -0.26 0.00 0.00 58.87 55.45 1nh5 n SER 54 Cb 1.08 0.46 0.07 0.00 -0.26 0.00 0.00 64.21 65.56 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 0.05 -2.42 -0.03 7.33 0.00 -1.26 -4.13 120.51 120.05 1nh5 n ALA 55 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1nh5 n ALA 55 Cb 0.74 -4.91 0.00 0.00 0.00 0.00 0.00 19.45 15.28 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 -3.56 0.00 -3.67 0.00 -1.04 -1.26 -4.70 114.28 100.06 1nh5 n THR 56 Ca -0.11 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.62 1nh5 n THR 56 Cb 0.62 0.00 -0.05 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 3.77 -1.40 -3.71 8.00 6.94 -0.86 -4.79 115.26 123.21 1nh5 n ASN 57 Ca 0.00 -0.71 -0.11 0.00 -0.02 0.00 0.00 54.58 53.73 1nh5 n ASN 57 Cb 0.00 -1.25 -0.12 0.00 -2.36 0.00 0.00 39.78 36.05 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 -2.65 -0.03 -1.58 1.53 1.01 -1.26 -4.76 121.20 113.46 1nh5 s ILE 58 Ca 0.55 0.11 -0.04 0.00 0.00 0.00 0.00 60.65 61.27 1nh5 s ILE 58 Cb -0.32 -0.52 0.04 0.00 0.01 0.00 0.00 42.46 41.68 1nh5 s ILE 58 CO 0.67 0.05 0.20 0.00 0.00 0.00 0.00 174.94 175.86