#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 0.05 0.00 3.14 1.01 -1.26 -0.32 116.67 119.29 1nh5 s ASP 2 Ca 0.00 -0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.06 1nh5 s ASP 2 Cb 0.00 0.19 0.00 0.00 1.01 0.00 0.00 42.92 44.12 1nh5 s ASP 2 CO 0.00 -0.30 0.00 0.61 0.21 0.00 0.00 175.17 175.69 1nh5 n GLY 3 N 1.74 -0.38 3.56 0.21 0.00 -0.22 -4.80 105.19 105.31 1nh5 n GLY 3 Ca -0.21 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.83 3.21 0.02 1.61 2.02 0.56 0.17 117.35 122.11 1nh5 s TYR 4 Ca 0.00 0.13 -0.30 0.00 -0.37 0.00 0.00 57.07 56.53 1nh5 s TYR 4 Cb 0.00 -2.72 -0.05 0.00 -0.40 0.00 0.00 41.96 38.80 1nh5 s TYR 4 CO 0.00 -0.41 1.18 -1.25 -1.57 0.00 0.00 175.55 173.50 1nh5 s PRO 5 N 2.13 4.42 -0.04 -1.71 0.04 -1.26 -0.50 135.00 138.08 1nh5 s PRO 5 Ca 0.14 1.71 -0.00 0.00 0.04 0.00 0.00 61.00 62.89 1nh5 s PRO 5 Cb -0.16 -3.42 0.03 0.00 0.04 0.00 0.00 34.50 30.99 1nh5 s PRO 5 CO 0.12 -0.29 0.01 0.14 0.04 0.00 0.00 177.00 177.01 1nh5 s VAL 6 N 1.39 0.20 0.00 -0.36 -7.23 -0.30 -4.54 120.40 109.57 1nh5 s VAL 6 Ca 0.57 0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.89 1nh5 s VAL 6 Cb -0.27 -0.34 0.00 0.00 0.56 0.00 0.00 36.38 36.32 1nh5 s VAL 6 CO 0.27 0.19 0.00 -0.90 -0.31 0.00 0.00 175.10 174.35 1nh5 n ASP 7 N 4.64 0.00 0.05 4.85 5.75 -1.26 -4.52 116.55 126.05 1nh5 n ASP 7 Ca -0.16 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.48 1nh5 n ASP 7 Cb 0.50 0.11 -0.03 0.00 -1.03 0.00 0.00 41.12 40.67 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 0.62 1.48 -1.12 4.64 -1.99 -2.93 113.55 114.26 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 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 61.90 1nh5 h SER 8 CO 0.00 1.24 -0.52 0.07 -0.87 0.00 0.00 176.83 176.75 1nh5 h LYS 9 N 0.31 0.00 0.00 4.77 2.10 -1.94 -3.48 116.57 118.32 1nh5 h LYS 9 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1nh5 h LYS 9 Cb 1.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.82 1nh5 h LYS 9 CO 0.16 0.01 0.00 0.41 -2.00 0.00 0.00 179.45 178.03 1nh5 n GLY 10 N 1.14 2.25 2.86 0.07 0.00 -1.11 -4.69 105.19 105.72 1nh5 n GLY 10 Ca 0.02 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 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 1.74 -0.27 0.28 0.00 3.00 -1.26 -4.53 118.16 117.11 1nh5 n LYS 12 Ca 0.24 0.21 0.18 0.00 -0.00 0.00 0.00 58.31 58.93 1nh5 n LYS 12 Cb 0.37 -0.25 0.76 0.00 0.00 0.00 0.00 35.03 35.91 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 0.05 0.00 -2.16 3.14 3.38 -1.93 -3.47 115.31 114.32 1nh5 h LEU 13 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 1nh5 h LEU 13 Cb 0.04 0.00 0.18 0.00 0.09 0.00 0.00 40.66 40.96 1nh5 h LEU 13 CO 0.00 0.00 -0.83 -1.20 0.09 0.00 0.00 178.44 176.50 1nh5 n SER 14 N -3.05 -4.73 -4.79 -0.43 7.64 -1.26 -4.94 113.62 102.06 1nh5 n SER 14 Ca 0.00 -0.69 -0.34 0.00 1.01 0.00 0.00 58.87 58.85 1nh5 n SER 14 Cb 0.27 -5.08 -0.01 0.00 -1.01 0.00 0.00 64.21 58.38 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 -1.38 0.94 -3.52 0.00 0.31 -1.26 -4.18 118.33 109.24 1nh5 n VAL 16 Ca 0.10 -1.10 -0.12 0.00 -0.01 0.00 0.00 64.34 63.21 1nh5 n VAL 16 Cb 0.52 0.26 -0.04 0.00 -0.91 0.00 0.00 33.84 33.67 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 -1.35 -1.82 -0.02 3.52 0.00 -1.26 -5.06 121.76 115.77 1nh5 s ALA 17 Ca 0.13 1.19 -0.23 0.00 0.00 0.00 0.00 51.96 53.05 1nh5 s ALA 17 Cb 0.11 0.04 -0.21 0.00 0.00 0.00 0.00 23.12 23.07 1nh5 s ALA 17 CO 0.01 -0.51 1.13 -0.91 0.00 0.00 0.00 175.76 175.48 1nh5 h ASN 18 N 2.38 0.30 -0.22 0.00 2.35 -1.98 -2.91 115.58 115.50 1nh5 h ASN 18 Ca -0.23 -0.68 -0.03 0.00 -0.55 0.00 0.00 56.30 54.80 1nh5 h ASN 18 Cb 1.20 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.47 1nh5 h ASN 18 CO 0.34 0.93 0.04 -0.55 -1.65 0.00 0.00 177.43 176.54 1nh5 h ASN 19 N -0.32 0.42 0.01 5.81 -1.07 -1.97 0.04 115.58 118.50 1nh5 h ASN 19 Ca -0.02 -0.06 -0.07 0.00 0.07 0.00 0.00 56.30 56.22 1nh5 h ASN 19 Cb 0.94 -0.11 -0.01 0.00 -2.07 0.00 0.00 38.32 37.06 1nh5 h ASN 19 CO 0.05 0.46 -0.19 0.22 0.07 0.00 0.00 177.43 178.04 1nh5 h TYR 20 N 0.45 0.36 0.06 4.14 5.03 -1.95 -2.26 116.97 122.80 1nh5 h TYR 20 Ca 0.10 -0.06 -0.00 0.00 2.58 0.00 0.00 58.73 61.35 1nh5 h TYR 20 Cb 0.23 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.42 1nh5 h TYR 20 CO 0.01 0.51 -0.03 0.00 -1.32 0.00 0.00 178.16 177.34 1nh5 h ASP 22 N -0.90 -0.28 0.35 0.00 3.58 -0.72 0.31 116.42 118.76 1nh5 h ASP 22 Ca -0.01 0.12 -0.10 0.00 0.42 0.00 0.00 57.03 57.46 1nh5 h ASP 22 Cb 0.63 0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.89 1nh5 h ASP 22 CO 0.01 -0.10 -0.45 -0.55 -2.88 0.00 0.00 179.24 175.28 1nh5 h ASN 23 N 0.07 0.13 0.41 2.28 7.08 -1.59 -2.71 115.58 121.25 1nh5 h ASN 23 Ca 0.23 -0.06 0.00 0.00 -3.08 0.00 0.00 56.30 53.40 1nh5 h ASN 23 Cb 0.35 -0.04 0.00 0.00 -2.08 0.00 0.00 38.32 36.56 1nh5 h ASN 23 CO -0.42 0.57 -0.85 0.00 -2.08 0.00 0.00 177.43 174.65 1nh5 n GLN 24 N -4.00 0.16 -0.03 4.14 10.64 0.43 -2.90 117.38 125.83 1nh5 n GLN 24 Ca -0.02 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.00 1nh5 n GLN 24 Cb 0.49 -1.56 -0.12 0.00 -0.86 0.00 0.00 30.24 28.19 1nh5 n GLN 24 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1nh5 h LYS 26 N -0.63 0.00 0.00 0.00 2.10 -1.49 0.71 116.57 117.27 1nh5 h LYS 26 Ca -0.04 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.58 1nh5 h LYS 26 Cb 1.07 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.39 1nh5 h LYS 26 CO 0.05 0.00 -0.15 0.00 -2.00 0.00 0.00 179.45 177.34 1nh5 h MET 27 N 0.00 0.00 0.00 0.07 -0.00 -1.69 -3.43 114.93 109.88 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 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.32 1nh5 h MET 27 CO 0.00 0.15 0.00 1.17 -0.00 0.00 0.00 176.91 178.23 1nh5 n LYS 28 N -3.69 0.00 -0.25 -0.10 4.81 -1.16 -5.00 118.16 112.77 1nh5 n LYS 28 Ca -0.02 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.35 1nh5 n LYS 28 Cb 0.27 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.37 1nh5 n LYS 28 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1nh5 h LYS 29 N 0.00 1.14 0.00 1.64 1.79 -1.53 -3.46 116.57 116.14 1nh5 h LYS 29 Ca 0.00 -0.27 -0.04 0.00 -2.18 0.00 0.00 60.65 58.16 1nh5 h LYS 29 Cb 0.00 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.49 1nh5 h LYS 29 CO 0.00 1.00 -0.02 0.00 -1.08 0.00 0.00 179.45 179.35 1nh5 n ALA 30 N -2.46 -0.05 0.00 3.86 0.00 0.14 -4.33 120.51 117.68 1nh5 n ALA 30 Ca 0.05 -0.23 -0.07 0.00 0.00 0.00 0.00 53.44 53.20 1nh5 n ALA 30 Cb 0.26 0.19 -0.12 0.00 0.00 0.00 0.00 19.45 19.77 1nh5 n ALA 30 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1nh5 h SER 31 N 0.28 0.00 0.00 0.00 4.64 -1.20 -3.35 113.55 113.92 1nh5 h SER 31 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1nh5 h SER 31 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1nh5 h SER 31 CO 0.05 0.93 0.00 0.61 -0.87 0.00 0.00 176.83 177.55 1nh5 n GLY 32 N 1.49 0.92 0.00 -0.77 0.00 -0.98 -4.48 105.19 101.37 1nh5 n GLY 32 Ca -0.13 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 0.15 3.20 -0.02 0.00 -1.26 0.29 105.19 107.56 1nh5 n GLY 33 Ca 0.00 -1.54 -0.09 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.83 0.23 -0.50 1.61 5.65 -0.50 -4.19 115.29 114.77 1nh5 s HIS 34 Ca 0.00 -0.68 -0.20 0.00 0.25 0.00 0.00 55.06 54.44 1nh5 s HIS 34 Cb 0.00 -0.11 0.05 0.00 -1.18 0.00 0.00 32.58 31.34 1nh5 s HIS 34 CO 0.00 -0.53 0.64 0.00 -0.65 0.00 0.00 174.74 174.20 1nh5 s TYR 36 N 2.72 2.76 -1.34 0.00 6.14 0.20 -4.67 117.35 123.17 1nh5 s TYR 36 Ca 0.17 -0.75 -0.15 0.00 0.64 0.00 0.00 57.07 56.98 1nh5 s TYR 36 Cb -0.18 -1.82 0.01 0.00 0.42 0.00 0.00 41.96 40.39 1nh5 s TYR 36 CO 0.13 -0.27 0.45 0.00 0.64 0.00 0.00 175.55 176.50 1nh5 n ALA 37 N 3.57 -2.29 -2.83 3.97 0.00 -1.26 0.34 120.51 122.01 1nh5 n ALA 37 Ca -0.18 -0.41 -0.17 0.00 0.00 0.00 0.00 53.44 52.67 1nh5 n ALA 37 Cb 0.53 -2.11 -0.00 0.00 0.00 0.00 0.00 19.45 17.87 1nh5 n ALA 37 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1nh5 n MET 38 N -4.63 -2.94 -3.73 0.00 2.81 -1.26 -4.92 117.12 102.45 1nh5 n MET 38 Ca -0.22 0.60 -0.14 0.00 -1.81 0.00 0.00 57.70 56.14 1nh5 n MET 38 Cb 0.63 -5.27 -0.14 0.00 -0.71 0.00 0.00 33.22 27.73 1nh5 n MET 38 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1nh5 s SER 39 N -2.35 -0.01 -0.82 7.83 0.01 0.15 -3.60 113.70 114.92 1nh5 s SER 39 Ca 0.17 0.36 -0.25 0.00 1.31 0.00 0.00 55.95 57.55 1nh5 s SER 39 Cb -0.09 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.41 1nh5 s SER 39 CO 0.22 -0.17 1.64 0.00 0.41 0.00 0.00 173.24 175.34 1nh5 s TYR 41 N 7.54 2.03 0.37 0.00 5.04 0.94 -4.26 117.35 129.01 1nh5 s TYR 41 Ca 0.55 0.18 -0.12 0.00 -2.44 0.00 0.00 57.07 55.24 1nh5 s TYR 41 Cb -0.07 -4.27 -0.07 0.00 0.35 0.00 0.00 41.96 37.90 1nh5 s TYR 41 CO 0.06 -1.87 0.75 0.00 -1.34 0.00 0.00 175.55 173.16 1nh5 s GLU 43 N -3.52 0.46 0.00 0.00 2.02 0.15 -1.06 118.70 116.75 1nh5 s GLU 43 Ca 0.52 0.09 0.00 0.00 0.02 0.00 0.00 54.97 55.61 1nh5 s GLU 43 Cb -0.10 -0.73 0.00 0.00 0.10 0.00 0.00 34.13 33.40 1nh5 s GLU 43 CO 0.26 -0.21 0.00 0.41 0.02 0.00 0.00 175.26 175.74 1nh5 n GLY 44 N 4.63 0.58 3.92 -1.39 0.00 0.57 -1.42 105.19 112.07 1nh5 n GLY 44 Ca -0.16 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.84 3.79 0.62 0.99 1.02 -0.07 -3.20 118.68 121.00 1nh5 s LEU 45 Ca 0.00 0.77 -0.14 0.00 0.02 0.00 0.00 54.13 54.78 1nh5 s LEU 45 Cb 0.00 -3.68 -0.02 0.00 0.02 0.00 0.00 46.19 42.50 1nh5 s LEU 45 CO 0.00 -0.45 1.05 -2.16 0.02 0.00 0.00 176.35 174.81 1nh5 s PRO 46 N -4.47 3.24 0.00 1.29 0.04 -1.26 -4.05 135.00 129.79 1nh5 s PRO 46 Ca 0.45 1.10 0.30 0.00 0.04 0.00 0.00 61.00 62.88 1nh5 s PRO 46 Cb -0.10 -2.03 1.47 0.00 0.04 0.00 0.00 34.50 33.88 1nh5 s PRO 46 CO 0.40 -0.87 2.00 0.39 0.04 0.00 0.00 177.00 178.96 1nh5 n GLU 47 N -2.38 0.84 0.13 4.56 1.02 -1.26 -2.01 120.64 121.53 1nh5 n GLU 47 Ca 0.08 -0.20 0.12 0.00 -0.02 0.00 0.00 57.16 57.15 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 0.48 0.00 -3.33 1.62 -1.07 -2.03 -3.45 115.58 107.80 1nh5 h ASN 48 Ca 0.00 -0.04 -0.55 0.00 0.07 0.00 0.00 56.30 55.77 1nh5 h ASN 48 Cb 0.25 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.47 1nh5 h ASN 48 CO 0.00 0.02 0.42 0.00 0.07 0.00 0.00 177.43 177.94 1nh5 s ALA 49 N -3.17 3.32 -0.22 4.14 0.00 -0.85 -4.99 121.76 119.98 1nh5 s ALA 49 Ca 0.08 0.37 -0.29 0.00 0.00 0.00 0.00 51.96 52.12 1nh5 s ALA 49 Cb 0.10 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 1nh5 s ALA 49 CO 0.66 -0.41 1.24 0.21 0.00 0.00 0.00 175.76 177.46 1nh5 s LYS 50 N 1.51 4.13 0.30 0.00 2.47 -1.26 -5.00 119.74 121.89 1nh5 s LYS 50 Ca 0.47 1.47 0.08 0.00 -1.56 0.00 0.00 55.97 56.44 1nh5 s LYS 50 Cb -0.19 -3.79 -0.06 0.00 -1.46 0.00 0.00 37.83 32.33 1nh5 s LYS 50 CO 0.21 -0.84 -0.09 0.14 0.16 0.00 0.00 175.35 174.94 1nh5 s VAL 51 N 3.75 1.93 0.19 4.02 -7.23 -1.26 -1.15 120.40 120.66 1nh5 s VAL 51 Ca 0.54 -2.18 0.09 0.00 -1.81 0.00 0.00 61.98 58.62 1nh5 s VAL 51 Cb -0.19 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 1nh5 s VAL 51 CO 0.16 -0.28 -0.08 -0.55 -0.31 0.00 0.00 175.10 174.04 1nh5 s SER 52 N -3.50 4.31 -0.10 4.85 0.15 0.35 -4.89 113.70 114.85 1nh5 s SER 52 Ca 0.30 -0.59 0.22 0.00 0.70 0.00 0.00 55.95 56.58 1nh5 s SER 52 Cb 0.02 -0.74 0.45 0.00 -1.71 0.00 0.00 66.02 64.03 1nh5 s SER 52 CO 0.14 0.09 1.17 -0.90 1.20 0.00 0.00 173.24 174.93 1nh5 n ASP 53 N -0.11 1.46 -3.00 5.45 5.75 -1.26 -0.32 116.55 124.52 1nh5 n ASP 53 Ca -0.10 -2.43 -0.25 0.00 -0.01 0.00 0.00 54.79 52.00 1nh5 n ASP 53 Cb 0.56 -0.38 -0.04 0.00 -1.03 0.00 0.00 41.12 40.24 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 -0.06 3.58 -3.60 -1.12 3.41 -1.26 -4.89 113.62 109.67 1nh5 n SER 54 Ca 0.11 -3.52 -0.22 0.00 -0.26 0.00 0.00 58.87 54.97 1nh5 n SER 54 Cb 0.99 -0.57 0.04 0.00 -0.26 0.00 0.00 64.21 64.41 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 -0.12 -2.23 0.00 7.33 0.00 -1.26 -2.82 120.51 121.41 1nh5 n ALA 55 Ca 0.30 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1nh5 n ALA 55 Cb 0.46 -3.17 0.00 0.00 0.00 0.00 0.00 19.45 16.74 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 -4.06 0.00 -0.74 0.00 -1.04 -1.26 -4.61 114.28 102.57 1nh5 n THR 56 Ca -0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 1nh5 n THR 56 Cb 0.65 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.16 1nh5 n THR 56 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1nh5 n ASN 57 N 2.41 0.00 -4.16 8.00 5.15 -1.13 -4.85 115.26 120.68 1nh5 n ASN 57 Ca 0.00 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.87 1nh5 n ASN 57 Cb 0.00 -1.08 -0.10 0.00 -0.53 0.00 0.00 39.78 38.07 1nh5 n ASN 57 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1nh5 s ILE 58 N -2.65 0.03 -0.87 -1.44 2.07 -1.26 -5.04 121.20 112.04 1nh5 s ILE 58 Ca 0.00 -1.90 -0.07 0.00 -1.41 0.00 0.00 60.65 57.27 1nh5 s ILE 58 Cb 0.00 -2.31 -0.10 0.00 0.13 0.00 0.00 42.46 40.18 1nh5 s ILE 58 CO 0.00 -0.15 3.08 0.00 -1.91 0.00 0.00 174.94 175.96