#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 -0.09 0.00 -5.58 1.11 -1.26 -1.04 116.67 109.81 1nh5 s ASP 2 Ca 0.00 0.11 0.00 0.00 0.18 0.00 0.00 52.55 52.84 1nh5 s ASP 2 Cb 0.00 0.27 0.00 0.00 1.07 0.00 0.00 42.92 44.26 1nh5 s ASP 2 CO 0.00 -0.17 0.00 0.61 1.18 0.00 0.00 175.17 176.79 1nh5 n GLY 3 N 2.44 -0.30 3.58 0.21 0.00 -0.06 -4.75 105.19 106.30 1nh5 n GLY 3 Ca -0.16 -1.14 -0.39 0.00 0.00 0.00 0.00 46.02 44.32 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 -3.24 3.23 0.08 1.61 2.02 0.52 0.32 117.35 121.88 1nh5 s TYR 4 Ca 0.00 0.16 -0.30 0.00 -0.37 0.00 0.00 57.07 56.55 1nh5 s TYR 4 Cb 0.00 -2.55 -0.06 0.00 -0.40 0.00 0.00 41.96 38.95 1nh5 s TYR 4 CO 0.00 -0.29 1.16 -1.25 -1.57 0.00 0.00 175.55 173.60 1nh5 s PRO 5 N 1.96 4.47 -0.02 -1.71 0.04 -1.26 -1.88 135.00 136.60 1nh5 s PRO 5 Ca 0.11 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1nh5 s PRO 5 Cb -0.16 -3.34 0.03 0.00 0.04 0.00 0.00 34.50 31.06 1nh5 s PRO 5 CO 0.11 -0.17 0.01 0.14 0.04 0.00 0.00 177.00 177.13 1nh5 s VAL 6 N 0.79 0.08 0.00 -0.36 -7.23 -1.26 -4.67 120.40 107.76 1nh5 s VAL 6 Ca 0.56 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.86 1nh5 s VAL 6 Cb -0.29 -0.19 0.00 0.00 0.56 0.00 0.00 36.38 36.46 1nh5 s VAL 6 CO 0.30 0.12 0.00 -0.90 -0.31 0.00 0.00 175.10 174.31 1nh5 n ASP 7 N 4.07 0.00 0.10 4.85 3.85 -1.26 -4.92 116.55 123.25 1nh5 n ASP 7 Ca -0.26 0.00 -0.17 0.00 -0.71 0.00 0.00 54.79 53.65 1nh5 n ASP 7 Cb 0.51 0.12 -0.13 0.00 -1.35 0.00 0.00 41.12 40.27 1nh5 n ASP 7 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1nh5 h SER 8 N 0.00 0.50 1.71 -1.12 4.64 -2.01 -3.01 113.55 114.26 1nh5 h SER 8 Ca 0.00 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1nh5 h SER 8 Cb 0.00 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 1nh5 h SER 8 CO 0.00 1.39 0.00 0.07 -0.87 0.00 0.00 176.83 177.42 1nh5 h LYS 9 N 0.11 0.00 0.00 4.77 2.10 -1.93 -3.48 116.57 118.14 1nh5 h LYS 9 Ca -0.14 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 1nh5 h LYS 9 Cb 1.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.27 1nh5 h LYS 9 CO 0.21 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 178.07 1nh5 n GLY 10 N 0.81 2.25 2.90 0.07 0.00 -1.14 -4.53 105.19 105.55 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 1.98 -1.26 -3.81 0.00 3.00 -1.26 -4.38 118.16 112.43 1nh5 n LYS 12 Ca 0.20 0.83 -0.14 0.00 -0.00 0.00 0.00 58.31 59.20 1nh5 n LYS 12 Cb 0.35 -1.53 -0.15 0.00 0.00 0.00 0.00 35.03 33.69 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 0.00 1.43 -1.31 3.14 2.34 -1.26 -4.90 118.68 118.11 1nh5 s LEU 13 Ca 0.00 0.03 -0.18 0.00 0.06 0.00 0.00 54.13 54.05 1nh5 s LEU 13 Cb 0.00 -0.02 0.06 0.00 -0.56 0.00 0.00 46.19 45.67 1nh5 s LEU 13 CO 0.00 -0.08 1.80 -1.54 -1.06 0.00 0.00 176.35 175.47 1nh5 n SER 14 N 3.75 4.76 -4.77 1.48 3.41 -1.26 -3.46 113.62 117.53 1nh5 n SER 14 Ca -0.22 -2.90 -0.40 0.00 -0.26 0.00 0.00 58.87 55.09 1nh5 n SER 14 Cb 0.54 -1.74 0.01 0.00 -0.26 0.00 0.00 64.21 62.77 1nh5 n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nh5 n VAL 16 N -0.10 0.04 -3.51 0.00 0.31 -1.26 -4.57 118.33 109.24 1nh5 n VAL 16 Ca 0.04 -0.34 -0.09 0.00 -0.01 0.00 0.00 64.34 63.94 1nh5 n VAL 16 Cb 0.41 0.28 -0.02 0.00 -0.91 0.00 0.00 33.84 33.60 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 -3.34 -1.73 0.18 3.52 0.00 -1.26 -5.03 121.76 114.10 1nh5 s ALA 17 Ca -0.02 0.75 -0.09 0.00 0.00 0.00 0.00 51.96 52.60 1nh5 s ALA 17 Cb 0.14 0.58 0.07 0.00 0.00 0.00 0.00 23.12 23.91 1nh5 s ALA 17 CO 0.89 -0.75 1.64 -0.91 0.00 0.00 0.00 175.76 176.63 1nh5 h ASN 18 N 2.00 1.05 -0.24 0.00 2.35 -1.94 -1.51 115.58 117.29 1nh5 h ASN 18 Ca -0.26 -0.30 -0.06 0.00 -0.55 0.00 0.00 56.30 55.14 1nh5 h ASN 18 Cb 1.26 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 39.33 1nh5 h ASN 18 CO 0.32 1.09 -0.02 -0.55 -1.65 0.00 0.00 177.43 176.63 1nh5 h ASN 19 N 0.97 0.53 0.49 5.81 -1.07 -1.97 0.12 115.58 120.46 1nh5 h ASN 19 Ca 0.17 -0.11 -0.08 0.00 0.07 0.00 0.00 56.30 56.35 1nh5 h ASN 19 Cb 0.55 -0.14 -0.01 0.00 -2.07 0.00 0.00 38.32 36.65 1nh5 h ASN 19 CO 0.03 0.61 -0.39 0.22 0.07 0.00 0.00 177.43 177.97 1nh5 h TYR 20 N 0.53 0.00 0.05 4.14 5.03 -1.70 -1.67 116.97 123.36 1nh5 h TYR 20 Ca 0.11 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.42 1nh5 h TYR 20 Cb 0.37 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.65 1nh5 h TYR 20 CO 0.01 0.39 -0.02 0.00 -1.32 0.00 0.00 178.16 177.22 1nh5 h ASP 22 N -0.96 0.87 0.05 0.00 3.58 -0.43 0.32 116.42 119.84 1nh5 h ASP 22 Ca -0.01 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.38 1nh5 h ASP 22 Cb 0.54 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.37 1nh5 h ASP 22 CO 0.01 0.66 -0.06 -0.55 -2.88 0.00 0.00 179.24 176.42 1nh5 h ASN 23 N 1.00 0.04 0.70 2.28 7.08 -1.53 0.07 115.58 125.22 1nh5 h ASN 23 Ca 0.26 -0.00 -0.24 0.00 -3.08 0.00 0.00 56.30 53.24 1nh5 h ASN 23 Cb -0.06 -0.01 -0.04 0.00 -2.08 0.00 0.00 38.32 36.13 1nh5 h ASN 23 CO -0.05 0.11 -1.43 -0.61 -2.08 0.00 0.00 177.43 173.37 1nh5 h GLN 24 N 0.04 0.00 0.18 4.14 4.15 -0.68 -3.33 115.11 119.61 1nh5 h GLN 24 Ca 0.01 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1nh5 h GLN 24 Cb 0.14 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.83 1nh5 h GLN 24 CO 0.01 0.54 -0.09 0.00 -1.93 0.00 0.00 178.83 177.37 1nh5 h LYS 26 N -0.87 0.00 0.00 0.00 -0.00 -1.17 0.17 116.57 114.69 1nh5 h LYS 26 Ca -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.60 1nh5 h LYS 26 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.74 1nh5 h LYS 26 CO 0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 179.45 179.38 1nh5 h MET 27 N 0.00 0.00 0.00 0.07 -0.00 -1.70 -3.42 114.93 109.88 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 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.24 1nh5 h MET 27 CO 0.00 0.11 0.00 1.17 -0.00 0.00 0.00 176.91 178.19 1nh5 n LYS 28 N -3.30 0.00 -0.13 -0.10 0.00 -1.07 -4.99 118.16 108.57 1nh5 n LYS 28 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.21 1nh5 n LYS 28 Cb 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.36 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 0.61 0.00 1.64 1.79 -0.96 -3.47 116.57 116.18 1nh5 h LYS 29 Ca 0.00 -0.14 -0.18 0.00 -2.18 0.00 0.00 60.65 58.15 1nh5 h LYS 29 Cb 0.00 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.52 1nh5 h LYS 29 CO 0.00 0.63 -0.08 0.00 -1.08 0.00 0.00 179.45 178.91 1nh5 n ALA 30 N -2.33 -0.26 0.02 3.86 0.00 -0.30 -4.47 120.51 117.03 1nh5 n ALA 30 Ca -0.01 -1.05 -0.07 0.00 0.00 0.00 0.00 53.44 52.31 1nh5 n ALA 30 Cb 0.19 0.85 -0.12 0.00 0.00 0.00 0.00 19.45 20.36 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 1.29 0.00 -0.27 0.00 4.64 -0.34 -3.37 113.55 115.50 1nh5 h SER 31 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1nh5 h SER 31 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1nh5 h SER 31 CO 0.24 0.96 0.00 0.61 -0.87 0.00 0.00 176.83 177.77 1nh5 n GLY 32 N 1.46 2.66 3.60 -0.77 0.00 -0.43 -4.70 105.19 107.00 1nh5 n GLY 32 Ca -0.09 -0.82 0.01 0.00 0.00 0.00 0.00 46.02 45.11 1nh5 n GLY 32 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nh5 s GLY 33 N -0.32 -0.39 0.30 -0.02 0.00 -1.26 -0.13 107.32 105.50 1nh5 s GLY 33 Ca 0.00 1.18 -0.01 0.00 0.00 0.00 0.00 44.72 45.90 1nh5 s GLY 33 CO 0.00 0.31 0.36 -2.38 0.00 0.00 0.00 173.10 171.38 1nh5 s HIS 34 N -2.17 1.20 -0.43 1.90 -3.43 -0.07 -4.19 115.29 108.09 1nh5 s HIS 34 Ca 0.13 -1.35 -0.13 0.00 -0.80 0.00 0.00 55.06 52.92 1nh5 s HIS 34 Cb 0.04 -0.32 0.06 0.00 -1.43 0.00 0.00 32.58 30.93 1nh5 s HIS 34 CO -0.05 -0.95 0.31 0.00 -2.00 0.00 0.00 174.74 172.04 1nh5 s TYR 36 N 1.57 3.03 -1.44 0.00 6.14 -0.14 -4.64 117.35 121.86 1nh5 s TYR 36 Ca 0.03 -0.53 -0.06 0.00 0.64 0.00 0.00 57.07 57.15 1nh5 s TYR 36 Cb -0.22 -2.10 0.01 0.00 0.42 0.00 0.00 41.96 40.06 1nh5 s TYR 36 CO 0.06 -0.30 0.25 0.00 0.64 0.00 0.00 175.55 176.19 1nh5 n ALA 37 N 4.41 -2.13 -3.79 3.97 0.00 -1.26 0.25 120.51 121.96 1nh5 n ALA 37 Ca -0.17 -0.40 -0.26 0.00 0.00 0.00 0.00 53.44 52.61 1nh5 n ALA 37 Cb 0.52 -1.39 0.04 0.00 0.00 0.00 0.00 19.45 18.61 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 -4.59 -5.74 -3.72 0.00 0.00 -1.26 -4.98 117.12 96.83 1nh5 n MET 38 Ca -0.28 0.65 -0.12 0.00 -0.00 0.00 0.00 57.70 57.94 1nh5 n MET 38 Cb 0.67 -5.47 -0.10 0.00 0.00 0.00 0.00 33.22 28.32 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 -3.66 -0.46 -0.78 6.12 0.01 0.14 -4.24 113.70 110.83 1nh5 s SER 39 Ca 0.44 0.85 -0.26 0.00 1.31 0.00 0.00 55.95 58.29 1nh5 s SER 39 Cb -0.21 0.81 -0.01 0.00 0.21 0.00 0.00 66.02 66.82 1nh5 s SER 39 CO 0.81 -0.16 1.70 0.00 0.41 0.00 0.00 173.24 175.99 1nh5 s TYR 41 N 8.02 2.37 0.35 0.00 5.04 0.81 -4.33 117.35 129.61 1nh5 s TYR 41 Ca 0.58 -0.37 -0.12 0.00 -2.44 0.00 0.00 57.07 54.72 1nh5 s TYR 41 Cb -0.08 -4.65 -0.07 0.00 0.35 0.00 0.00 41.96 37.51 1nh5 s TYR 41 CO 0.09 -2.02 0.72 0.00 -1.34 0.00 0.00 175.55 173.00 1nh5 s GLU 43 N -3.40 1.26 0.00 0.00 2.02 0.82 -0.89 118.70 118.51 1nh5 s GLU 43 Ca 0.51 -0.17 0.00 0.00 0.02 0.00 0.00 54.97 55.34 1nh5 s GLU 43 Cb -0.10 -1.35 0.00 0.00 0.10 0.00 0.00 34.13 32.78 1nh5 s GLU 43 CO 0.25 -0.23 0.00 0.41 0.02 0.00 0.00 175.26 175.71 1nh5 n GLY 44 N 4.80 -0.17 3.95 -1.39 0.00 -0.60 -1.21 105.19 110.57 1nh5 n GLY 44 Ca -0.13 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.10 4.19 0.57 0.99 1.02 -0.20 -1.78 118.68 121.36 1nh5 s LEU 45 Ca 0.00 0.26 -0.17 0.00 0.02 0.00 0.00 54.13 54.24 1nh5 s LEU 45 Cb 0.00 -3.07 -0.05 0.00 0.02 0.00 0.00 46.19 43.09 1nh5 s LEU 45 CO 0.00 -0.15 1.05 -2.16 0.02 0.00 0.00 176.35 175.10 1nh5 s PRO 46 N -4.02 3.46 0.54 1.29 0.04 -1.26 -3.46 135.00 131.59 1nh5 s PRO 46 Ca 0.37 1.20 0.32 0.00 0.04 0.00 0.00 61.00 62.93 1nh5 s PRO 46 Cb -0.09 -2.05 1.45 0.00 0.04 0.00 0.00 34.50 33.84 1nh5 s PRO 46 CO 0.32 -0.69 2.03 1.05 0.04 0.00 0.00 177.00 179.74 1nh5 h GLU 47 N 0.67 0.00 -0.01 4.56 4.11 -1.99 -0.87 114.58 121.04 1nh5 h GLU 47 Ca -0.47 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 58.87 1nh5 h GLU 47 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1nh5 h GLU 47 CO 0.58 0.07 -0.42 -2.95 0.07 0.00 0.00 179.01 176.37 1nh5 h ASN 48 N 0.00 0.03 -2.32 3.06 -1.07 -2.03 -3.34 115.58 109.91 1nh5 h ASN 48 Ca -0.00 -0.01 -0.71 0.00 0.07 0.00 0.00 56.30 55.65 1nh5 h ASN 48 Cb 0.45 -0.01 -0.18 0.00 -2.07 0.00 0.00 38.32 36.52 1nh5 h ASN 48 CO 0.01 0.45 1.01 0.00 0.07 0.00 0.00 177.43 178.97 1nh5 s ALA 49 N -4.09 3.58 0.64 4.14 0.00 -0.33 -5.01 121.76 120.69 1nh5 s ALA 49 Ca -0.03 -2.97 -0.17 0.00 0.00 0.00 0.00 51.96 48.79 1nh5 s ALA 49 Cb 0.14 -4.08 -0.01 0.00 0.00 0.00 0.00 23.12 19.17 1nh5 s ALA 49 CO 0.74 -2.92 1.22 -1.59 0.00 0.00 0.00 175.76 173.21 1nh5 s LYS 50 N 2.33 2.66 0.15 0.00 0.00 -1.26 -4.80 119.74 118.83 1nh5 s LYS 50 Ca 0.36 1.84 0.01 0.00 0.00 0.00 0.00 55.97 58.18 1nh5 s LYS 50 Cb -0.04 -1.89 -0.04 0.00 0.00 0.00 0.00 37.83 35.86 1nh5 s LYS 50 CO -0.06 -1.45 -0.00 0.14 0.00 0.00 0.00 175.35 173.97 1nh5 s VAL 51 N -1.69 0.57 0.13 1.79 -7.23 -1.26 -4.28 120.40 108.43 1nh5 s VAL 51 Ca 0.77 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 59.02 1nh5 s VAL 51 Cb -0.31 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 1nh5 s VAL 51 CO 0.38 -0.56 0.18 -0.55 -0.31 0.00 0.00 175.10 174.23 1nh5 s SER 52 N -3.12 5.87 -0.08 4.85 0.15 -0.79 -4.85 113.70 115.72 1nh5 s SER 52 Ca 0.21 0.03 0.20 0.00 0.70 0.00 0.00 55.95 57.10 1nh5 s SER 52 Cb 0.06 -1.65 0.43 0.00 -1.71 0.00 0.00 66.02 63.15 1nh5 s SER 52 CO 0.02 0.10 1.19 -0.90 1.20 0.00 0.00 173.24 174.84 1nh5 n ASP 53 N -0.15 1.29 -2.26 5.45 5.68 -1.26 -0.36 116.55 124.94 1nh5 n ASP 53 Ca -0.08 -2.76 -0.29 0.00 -0.50 0.00 0.00 54.79 51.16 1nh5 n ASP 53 Cb 0.53 -0.39 0.04 0.00 -1.14 0.00 0.00 41.12 40.16 1nh5 n ASP 53 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1nh5 n SER 54 N -0.15 5.93 -3.48 -1.12 3.41 -1.26 -4.92 113.62 112.03 1nh5 n SER 54 Ca 0.11 -3.77 -0.20 0.00 -0.26 0.00 0.00 58.87 54.76 1nh5 n SER 54 Cb 0.97 -0.61 0.06 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.72 -2.28 -3.28 7.33 0.00 -1.26 -2.97 120.51 117.32 1nh5 n ALA 55 Ca 0.50 -0.05 -0.15 0.00 0.00 0.00 0.00 53.44 53.73 1nh5 n ALA 55 Cb 0.76 -3.82 0.08 0.00 0.00 0.00 0.00 19.45 16.47 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 -3.85 -7.41 0.16 0.00 -1.04 -1.26 -4.89 114.28 95.99 1nh5 n THR 56 Ca -0.18 -0.91 0.03 0.00 -2.04 0.00 0.00 64.05 60.95 1nh5 n THR 56 Cb 0.64 -5.69 0.19 0.00 -1.82 0.00 0.00 70.33 63.65 1nh5 n THR 56 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1nh5 h ASN 57 N -1.43 0.00 -3.96 8.00 -1.07 -1.97 -3.45 115.58 111.71 1nh5 h ASN 57 Ca -0.58 0.00 -0.48 0.00 0.07 0.00 0.00 56.30 55.31 1nh5 h ASN 57 Cb 1.31 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.57 1nh5 h ASN 57 CO 0.45 0.50 0.25 -0.63 0.07 0.00 0.00 177.43 178.08 1nh5 s ILE 58 N -3.34 4.62 -0.98 6.14 1.01 -1.26 -4.93 121.20 122.47 1nh5 s ILE 58 Ca 0.01 1.01 -0.07 0.00 0.00 0.00 0.00 60.65 61.60 1nh5 s ILE 58 Cb 0.10 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 1nh5 s ILE 58 CO 0.72 -0.54 2.91 0.00 0.00 0.00 0.00 174.94 178.04