#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 -0.30 0.00 3.14 1.01 -1.26 -0.73 116.67 118.52 1nh5 s ASP 2 Ca 0.00 0.52 0.00 0.00 0.71 0.00 0.00 52.55 53.78 1nh5 s ASP 2 Cb 0.00 0.58 0.00 0.00 1.01 0.00 0.00 42.92 44.51 1nh5 s ASP 2 CO 0.00 -0.20 0.00 0.61 0.21 0.00 0.00 175.17 175.79 1nh5 n GLY 3 N 2.49 -0.17 3.22 0.21 0.00 -0.79 -4.87 105.19 105.28 1nh5 n GLY 3 Ca -0.15 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 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 -4.00 3.40 0.47 1.61 2.02 -0.09 -0.47 117.35 120.30 1nh5 s TYR 4 Ca 0.00 -1.78 -0.21 0.00 -0.37 0.00 0.00 57.07 54.71 1nh5 s TYR 4 Cb 0.00 -3.13 -0.09 0.00 -0.40 0.00 0.00 41.96 38.35 1nh5 s TYR 4 CO 0.00 -0.91 1.04 -1.25 -1.57 0.00 0.00 175.55 172.86 1nh5 s PRO 5 N 1.36 3.85 -0.08 -1.71 0.04 -1.26 -0.93 135.00 136.27 1nh5 s PRO 5 Ca 0.04 1.38 -0.03 0.00 0.04 0.00 0.00 61.00 62.43 1nh5 s PRO 5 Cb -0.24 -2.16 0.04 0.00 0.04 0.00 0.00 34.50 32.19 1nh5 s PRO 5 CO 0.00 -0.39 0.17 0.54 0.04 0.00 0.00 177.00 177.36 1nh5 s VAL 6 N -1.93 -0.17 0.00 -0.36 0.11 0.19 -4.52 120.40 113.71 1nh5 s VAL 6 Ca 0.66 0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.98 1nh5 s VAL 6 Cb -0.17 -0.29 0.00 0.00 -1.53 0.00 0.00 36.38 34.39 1nh5 s VAL 6 CO 0.21 0.11 0.00 -0.90 -3.33 0.00 0.00 175.10 171.19 1nh5 n ASP 7 N 4.81 0.00 0.18 3.54 5.75 -1.26 -3.99 116.55 125.57 1nh5 n ASP 7 Ca -0.15 0.00 0.09 0.00 -0.01 0.00 0.00 54.79 54.72 1nh5 n ASP 7 Cb 0.51 0.15 0.11 0.00 -1.03 0.00 0.00 41.12 40.85 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 0.00 0.34 -1.12 4.64 -2.00 -3.23 113.55 112.17 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 0.14 -0.91 2.29 -0.87 0.00 0.00 176.83 177.48 1nh5 n LYS 9 N -3.07 0.15 0.00 4.77 0.00 -1.26 -4.97 118.16 113.79 1nh5 n LYS 9 Ca 0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1nh5 n LYS 9 Cb 0.59 -1.55 0.00 0.00 -0.00 0.00 0.00 35.03 34.08 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 1.43 2.06 2.49 2.58 0.00 -1.22 -3.98 105.19 108.55 1nh5 n GLY 10 Ca 0.03 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.56 0.09 0.00 3.00 -1.26 -3.65 118.16 114.79 1nh5 n LYS 12 Ca 0.21 1.22 -0.07 0.00 -0.00 0.00 0.00 58.31 59.67 1nh5 n LYS 12 Cb 0.70 -1.84 0.04 0.00 0.00 0.00 0.00 35.03 33.93 1nh5 n LYS 12 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1nh5 h LEU 13 N -0.68 0.22 0.00 3.14 4.07 -1.89 -3.47 115.31 116.70 1nh5 h LEU 13 Ca -0.07 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.73 1nh5 h LEU 13 Cb 0.66 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.33 1nh5 h LEU 13 CO 0.03 0.91 0.00 -1.20 -1.08 0.00 0.00 178.44 177.10 1nh5 n SER 14 N -3.72 0.00 -0.55 -0.43 7.64 -1.26 -4.83 113.62 110.47 1nh5 n SER 14 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1nh5 n SER 14 Cb 0.74 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 1nh5 n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nh5 n VAL 16 N -0.55 0.33 -3.56 0.00 3.14 -1.26 -4.59 118.33 111.85 1nh5 n VAL 16 Ca 0.00 -0.38 -0.13 0.00 -2.96 0.00 0.00 64.34 60.87 1nh5 n VAL 16 Cb 0.00 0.61 -0.05 0.00 -1.06 0.00 0.00 33.84 33.33 1nh5 n VAL 16 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1nh5 s ALA 17 N -0.45 -1.87 0.03 1.55 0.00 -1.26 -5.06 121.76 114.69 1nh5 s ALA 17 Ca 0.04 1.49 -0.19 0.00 0.00 0.00 0.00 51.96 53.30 1nh5 s ALA 17 Cb 0.03 -0.46 -0.20 0.00 0.00 0.00 0.00 23.12 22.49 1nh5 s ALA 17 CO 0.00 -0.33 1.18 -0.91 0.00 0.00 0.00 175.76 175.70 1nh5 h ASN 18 N 2.72 0.58 -0.39 0.00 4.21 -1.98 -2.89 115.58 117.83 1nh5 h ASN 18 Ca -0.21 -0.68 -0.06 0.00 1.21 0.00 0.00 56.30 56.56 1nh5 h ASN 18 Cb 1.15 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 38.16 1nh5 h ASN 18 CO 0.34 1.17 0.06 -0.55 -1.29 0.00 0.00 177.43 177.16 1nh5 h ASN 19 N 0.03 0.69 -0.11 5.81 7.08 -1.97 -0.03 115.58 127.07 1nh5 h ASN 19 Ca -0.05 -0.13 -0.05 0.00 -3.08 0.00 0.00 56.30 52.99 1nh5 h ASN 19 Cb 1.20 -0.18 -0.01 0.00 -2.08 0.00 0.00 38.32 37.24 1nh5 h ASN 19 CO 0.11 0.72 -0.08 0.22 -2.08 0.00 0.00 177.43 176.31 1nh5 h TYR 20 N 0.70 0.42 0.16 4.14 3.20 -1.94 -0.77 116.97 122.89 1nh5 h TYR 20 Ca 0.15 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 1nh5 h TYR 20 Cb 0.34 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.49 1nh5 h TYR 20 CO 0.02 0.48 -0.08 0.00 -1.64 0.00 0.00 178.16 176.94 1nh5 h ASP 22 N -1.03 0.88 -0.24 0.00 3.58 -0.56 0.16 116.42 119.21 1nh5 h ASP 22 Ca -0.02 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.38 1nh5 h ASP 22 Cb 0.28 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 1nh5 h ASP 22 CO 0.04 0.66 0.15 -0.55 -2.88 0.00 0.00 179.24 176.66 1nh5 h ASN 23 N 1.02 0.30 0.70 2.28 7.08 -1.37 0.69 115.58 126.28 1nh5 h ASN 23 Ca 0.27 -0.01 -0.21 0.00 -3.08 0.00 0.00 56.30 53.27 1nh5 h ASN 23 Cb -0.08 -0.07 -0.04 0.00 -2.08 0.00 0.00 38.32 36.05 1nh5 h ASN 23 CO -0.06 0.23 -1.43 -0.61 -2.08 0.00 0.00 177.43 173.49 1nh5 h GLN 24 N 0.35 0.00 0.46 4.14 4.15 -0.96 -2.63 115.11 120.62 1nh5 h GLN 24 Ca 0.09 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 1nh5 h GLN 24 Cb -0.01 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.68 1nh5 h GLN 24 CO -0.02 0.43 -0.22 0.00 -1.93 0.00 0.00 178.83 177.09 1nh5 h LYS 26 N -0.73 0.00 -0.53 0.00 2.10 -0.98 0.36 116.57 116.79 1nh5 h LYS 26 Ca -0.06 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.69 1nh5 h LYS 26 Cb 0.53 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.77 1nh5 h LYS 26 CO 0.10 0.00 -0.04 1.98 -2.00 0.00 0.00 179.45 179.50 1nh5 h MET 27 N 0.00 0.08 0.00 0.07 4.05 -1.44 -3.44 114.93 114.25 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 0.58 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.36 1nh5 h MET 27 CO 0.00 0.05 0.00 0.36 0.23 0.00 0.00 176.91 177.55 1nh5 n LYS 28 N -5.28 0.00 -0.21 0.39 2.85 -1.23 -4.96 118.16 109.72 1nh5 n LYS 28 Ca 0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 1nh5 n LYS 28 Cb 0.29 0.00 0.11 0.00 -0.65 0.00 0.00 35.03 34.78 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 0.42 0.00 -1.58 1.79 -1.76 -3.46 116.57 111.99 1nh5 h LYS 29 Ca 0.00 -0.03 -0.38 0.00 -2.18 0.00 0.00 60.65 58.07 1nh5 h LYS 29 Cb 0.00 -0.10 -0.10 0.00 -1.58 0.00 0.00 32.23 30.46 1nh5 h LYS 29 CO 0.00 0.28 -0.32 0.00 -1.08 0.00 0.00 179.45 178.33 1nh5 n ALA 30 N -2.46 0.30 0.05 3.86 0.00 0.13 -4.35 120.51 118.03 1nh5 n ALA 30 Ca 0.09 -1.72 -0.09 0.00 0.00 0.00 0.00 53.44 51.73 1nh5 n ALA 30 Cb 0.28 1.39 -0.13 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 1.90 0.05 0.00 0.00 0.02 -1.20 -3.34 113.55 110.99 1nh5 h SER 31 Ca -0.23 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1nh5 h SER 31 Cb 1.13 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1nh5 h SER 31 CO 0.33 1.05 0.00 0.61 -1.14 0.00 0.00 176.83 177.68 1nh5 n GLY 32 N 1.42 -1.87 0.00 -3.77 0.00 -1.22 -4.31 105.19 95.44 1nh5 n GLY 32 Ca -0.05 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.31 -0.14 3.14 -0.02 0.00 -1.26 0.28 105.19 106.88 1nh5 n GLY 33 Ca 0.00 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 1nh5 n GLY 33 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1nh5 s HIS 34 N -3.89 0.09 -0.66 1.61 5.65 0.05 -4.17 115.29 113.97 1nh5 s HIS 34 Ca 0.00 -0.29 -0.21 0.00 0.25 0.00 0.00 55.06 54.81 1nh5 s HIS 34 Cb 0.00 -0.06 0.09 0.00 -1.18 0.00 0.00 32.58 31.43 1nh5 s HIS 34 CO 0.00 -0.37 0.88 0.00 -0.65 0.00 0.00 174.74 174.59 1nh5 s TYR 36 N 3.39 2.74 -1.42 0.00 5.04 0.36 -4.73 117.35 122.73 1nh5 s TYR 36 Ca 0.19 -0.90 -0.07 0.00 -2.44 0.00 0.00 57.07 53.86 1nh5 s TYR 36 Cb -0.19 -1.83 0.01 0.00 0.35 0.00 0.00 41.96 40.30 1nh5 s TYR 36 CO 0.07 -0.36 0.31 0.00 -1.34 0.00 0.00 175.55 174.23 1nh5 n ALA 37 N 3.73 -2.14 -3.72 3.97 0.00 -1.26 0.02 120.51 121.11 1nh5 n ALA 37 Ca -0.19 -0.37 -0.27 0.00 0.00 0.00 0.00 53.44 52.61 1nh5 n ALA 37 Cb 0.52 -1.57 0.05 0.00 0.00 0.00 0.00 19.45 18.46 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 -4.55 -6.81 -3.63 0.00 1.56 -1.26 -4.83 117.12 97.59 1nh5 n MET 38 Ca -0.27 0.73 -0.15 0.00 -0.27 0.00 0.00 57.70 57.73 1nh5 n MET 38 Cb 0.67 -5.71 -0.07 0.00 2.15 0.00 0.00 33.22 30.25 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 -3.29 -0.57 -0.74 6.12 0.01 0.10 -4.53 113.70 110.81 1nh5 s SER 39 Ca 0.62 0.85 -0.27 0.00 1.31 0.00 0.00 55.95 58.46 1nh5 s SER 39 Cb -0.29 0.83 0.02 0.00 0.21 0.00 0.00 66.02 66.80 1nh5 s SER 39 CO 0.76 -0.39 1.38 0.00 0.41 0.00 0.00 173.24 175.40 1nh5 s TYR 41 N 6.23 2.29 0.20 0.00 5.04 0.15 -4.24 117.35 127.01 1nh5 s TYR 41 Ca 0.41 -0.21 -0.01 0.00 -2.44 0.00 0.00 57.07 54.81 1nh5 s TYR 41 Cb -0.08 -4.58 -0.04 0.00 0.35 0.00 0.00 41.96 37.61 1nh5 s TYR 41 CO 0.14 -2.03 0.39 0.00 -1.34 0.00 0.00 175.55 172.71 1nh5 s GLU 43 N -3.27 1.41 0.00 0.00 2.02 0.14 -1.89 118.70 117.12 1nh5 s GLU 43 Ca 0.39 -0.38 0.00 0.00 0.02 0.00 0.00 54.97 55.00 1nh5 s GLU 43 Cb -0.11 -1.22 0.00 0.00 0.10 0.00 0.00 34.13 32.89 1nh5 s GLU 43 CO 0.29 0.07 0.00 0.41 0.02 0.00 0.00 175.26 176.05 1nh5 n GLY 44 N 3.58 0.81 3.91 -1.39 0.00 -1.20 -1.02 105.19 109.87 1nh5 n GLY 44 Ca -0.21 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.64 3.79 0.62 0.99 2.01 0.09 -3.94 118.68 120.60 1nh5 s LEU 45 Ca 0.00 0.85 -0.14 0.00 0.01 0.00 0.00 54.13 54.85 1nh5 s LEU 45 Cb 0.00 -3.76 -0.03 0.00 0.01 0.00 0.00 46.19 42.42 1nh5 s LEU 45 CO 0.00 -0.44 1.05 -2.16 1.01 0.00 0.00 176.35 175.81 1nh5 s PRO 46 N -4.34 3.26 0.40 1.29 0.04 -1.26 -4.58 135.00 129.81 1nh5 s PRO 46 Ca 0.46 1.10 0.11 0.00 0.04 0.00 0.00 61.00 62.71 1nh5 s PRO 46 Cb -0.10 -2.03 0.83 0.00 0.04 0.00 0.00 34.50 33.24 1nh5 s PRO 46 CO 0.39 -0.85 1.93 0.93 0.04 0.00 0.00 177.00 179.44 1nh5 h GLU 47 N 0.12 0.17 0.00 4.56 4.39 -1.98 -1.80 114.58 120.04 1nh5 h GLU 47 Ca -0.46 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1nh5 h GLU 47 Cb 1.21 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1nh5 h GLU 47 CO 0.58 0.33 0.00 -2.95 -1.16 0.00 0.00 179.01 175.81 1nh5 h ASN 48 N 0.16 0.00 -2.15 1.42 7.08 -2.03 -3.37 115.58 116.69 1nh5 h ASN 48 Ca 0.03 0.00 -0.64 0.00 -3.08 0.00 0.00 56.30 52.61 1nh5 h ASN 48 Cb 0.38 0.00 -0.14 0.00 -2.08 0.00 0.00 38.32 36.47 1nh5 h ASN 48 CO 0.02 0.00 0.94 0.00 -2.08 0.00 0.00 177.43 176.32 1nh5 s ALA 49 N -3.48 3.10 0.32 4.14 0.00 -0.68 -4.99 121.76 120.17 1nh5 s ALA 49 Ca 0.04 -2.31 -0.29 0.00 0.00 0.00 0.00 51.96 49.39 1nh5 s ALA 49 Cb 0.08 -4.14 -0.11 0.00 0.00 0.00 0.00 23.12 18.95 1nh5 s ALA 49 CO 0.57 -3.11 1.56 0.21 0.00 0.00 0.00 175.76 174.99 1nh5 s LYS 50 N 3.82 4.12 0.06 0.00 2.36 -1.26 -4.80 119.74 124.04 1nh5 s LYS 50 Ca 0.33 2.57 0.09 0.00 -2.55 0.00 0.00 55.97 56.42 1nh5 s LYS 50 Cb -0.07 -3.01 -0.03 0.00 -1.05 0.00 0.00 37.83 33.67 1nh5 s LYS 50 CO -0.03 -0.60 -0.25 0.14 1.55 0.00 0.00 175.35 176.16 1nh5 s VAL 51 N -0.33 2.07 0.59 4.02 -7.23 -1.26 -0.64 120.40 117.62 1nh5 s VAL 51 Ca 0.60 -1.43 -0.09 0.00 -1.81 0.00 0.00 61.98 59.25 1nh5 s VAL 51 Cb -0.47 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.65 1nh5 s VAL 51 CO 0.52 0.28 0.96 -0.55 -0.31 0.00 0.00 175.10 176.00 1nh5 s SER 52 N -1.39 6.10 -0.14 4.85 0.15 -0.11 -4.84 113.70 118.33 1nh5 s SER 52 Ca 0.11 1.19 0.18 0.00 0.70 0.00 0.00 55.95 58.13 1nh5 s SER 52 Cb -0.10 -2.28 0.37 0.00 -1.71 0.00 0.00 66.02 62.30 1nh5 s SER 52 CO 0.03 -0.86 1.18 -0.90 1.20 0.00 0.00 173.24 173.89 1nh5 n ASP 53 N -2.63 0.37 -2.74 5.45 5.75 -1.26 -0.91 116.55 120.57 1nh5 n ASP 53 Ca 0.04 -2.04 -0.07 0.00 -0.01 0.00 0.00 54.79 52.71 1nh5 n ASP 53 Cb 0.55 -0.07 0.05 0.00 -1.03 0.00 0.00 41.12 40.62 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 -0.28 -2.83 -3.53 -1.12 3.41 -1.26 -5.01 113.62 103.00 1nh5 n SER 54 Ca -0.04 -3.13 -0.23 0.00 -0.26 0.00 0.00 58.87 55.20 1nh5 n SER 54 Cb 0.91 1.73 0.05 0.00 -0.26 0.00 0.00 64.21 66.65 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 1.78 -2.41 0.00 7.33 0.00 -1.26 -3.46 120.51 122.49 1nh5 n ALA 55 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nh5 n ALA 55 Cb 0.63 -4.23 0.00 0.00 0.00 0.00 0.00 19.45 15.85 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 -3.87 0.00 -3.69 0.00 -1.04 -1.26 -4.68 114.28 99.74 1nh5 n THR 56 Ca -0.13 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.67 1nh5 n THR 56 Cb 0.62 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.07 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 3.36 0.58 -3.68 8.00 0.23 -1.23 -4.82 115.26 117.71 1nh5 n ASN 57 Ca 0.00 -0.83 -0.10 0.00 -0.53 0.00 0.00 54.58 53.12 1nh5 n ASN 57 Cb 0.00 -1.03 -0.04 0.00 -2.08 0.00 0.00 39.78 36.63 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 -3.91 0.04 0.21 1.53 1.01 -1.26 -5.04 121.20 113.77 1nh5 s ILE 58 Ca 0.00 -0.66 -0.18 0.00 0.00 0.00 0.00 60.65 59.82 1nh5 s ILE 58 Cb -0.00 -1.40 0.19 0.00 0.01 0.00 0.00 42.46 41.25 1nh5 s ILE 58 CO 0.65 -0.17 1.44 0.00 0.00 0.00 0.00 174.94 176.86