#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 2.26 0.00 3.14 1.01 -1.26 0.01 116.67 121.84 1nh5 s ASP 2 Ca 0.00 -0.36 0.00 0.00 0.71 0.00 0.00 52.55 52.90 1nh5 s ASP 2 Cb 0.00 -0.43 0.00 0.00 1.01 0.00 0.00 42.92 43.50 1nh5 s ASP 2 CO 0.00 0.20 0.00 0.61 0.21 0.00 0.00 175.17 176.19 1nh5 n GLY 3 N 2.85 -0.56 3.11 0.21 0.00 -0.85 -4.98 105.19 104.97 1nh5 n GLY 3 Ca -0.16 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.54 3.60 0.37 1.61 2.02 -0.34 -1.26 117.35 119.81 1nh5 s TYR 4 Ca 0.00 -2.48 -0.26 0.00 -0.37 0.00 0.00 57.07 53.96 1nh5 s TYR 4 Cb 0.00 -3.08 -0.09 0.00 -0.40 0.00 0.00 41.96 38.39 1nh5 s TYR 4 CO 0.00 -0.95 1.06 -1.25 -1.57 0.00 0.00 175.55 172.84 1nh5 s PRO 5 N 1.10 4.30 -0.01 -1.71 0.04 -1.26 -0.79 135.00 136.67 1nh5 s PRO 5 Ca 0.08 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1nh5 s PRO 5 Cb -0.22 -2.72 0.02 0.00 0.04 0.00 0.00 34.50 31.62 1nh5 s PRO 5 CO -0.05 -0.04 0.01 0.14 0.04 0.00 0.00 177.00 177.10 1nh5 s VAL 6 N -1.52 0.03 0.00 -0.36 -7.23 -0.20 -4.79 120.40 106.34 1nh5 s VAL 6 Ca 0.54 0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.80 1nh5 s VAL 6 Cb -0.25 -0.11 0.00 0.00 0.56 0.00 0.00 36.38 36.59 1nh5 s VAL 6 CO 0.31 0.07 0.00 -0.90 -0.31 0.00 0.00 175.10 174.27 1nh5 n ASP 7 N 3.71 0.00 0.08 4.85 5.68 -1.26 -4.19 116.55 125.42 1nh5 n ASP 7 Ca -0.21 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.07 1nh5 n ASP 7 Cb 0.54 0.23 -0.05 0.00 -1.14 0.00 0.00 41.12 40.70 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 0.68 -1.12 4.64 -1.98 -3.34 113.55 112.43 1nh5 h SER 8 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1nh5 h SER 8 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1nh5 h SER 8 CO 0.00 0.65 -1.36 2.29 -0.87 0.00 0.00 176.83 177.54 1nh5 n LYS 9 N -3.12 0.62 0.00 4.77 0.00 -1.26 -4.96 118.16 114.21 1nh5 n LYS 9 Ca -0.04 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 1nh5 n LYS 9 Cb 0.83 -1.74 0.00 0.00 -0.00 0.00 0.00 35.03 34.11 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 1.26 1.93 3.80 2.58 0.00 -1.26 -4.80 105.19 108.71 1nh5 n GLY 10 Ca -0.04 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 1nh5 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nh5 s LYS 12 N -3.98 2.43 -0.22 0.00 3.01 -1.26 -4.98 119.74 114.73 1nh5 s LYS 12 Ca 0.43 1.02 -0.19 0.00 -1.01 0.00 0.00 55.97 56.22 1nh5 s LYS 12 Cb -0.02 -1.93 -0.03 0.00 -1.01 0.00 0.00 37.83 34.85 1nh5 s LYS 12 CO 0.25 -1.48 0.56 -0.51 0.51 0.00 0.00 175.35 174.67 1nh5 s LEU 13 N -5.79 4.11 -0.85 3.17 2.01 -1.26 -5.00 118.68 115.07 1nh5 s LEU 13 Ca 0.60 0.68 -0.25 0.00 0.01 0.00 0.00 54.13 55.17 1nh5 s LEU 13 Cb -0.16 -2.76 0.02 0.00 0.01 0.00 0.00 46.19 43.31 1nh5 s LEU 13 CO 0.56 -0.25 1.49 -0.94 1.01 0.00 0.00 176.35 178.22 1nh5 s SER 14 N 1.30 6.06 0.47 2.29 1.04 -1.26 -1.09 113.70 122.50 1nh5 s SER 14 Ca 0.25 -0.75 -0.22 0.00 0.48 0.00 0.00 55.95 55.71 1nh5 s SER 14 Cb -0.16 -2.56 -0.08 0.00 0.10 0.00 0.00 66.02 63.33 1nh5 s SER 14 CO 0.09 -1.89 1.10 0.00 0.98 0.00 0.00 173.24 173.53 1nh5 n VAL 16 N -0.70 0.00 -3.56 0.00 0.24 -1.26 -4.91 118.33 108.13 1nh5 n VAL 16 Ca 0.08 -0.46 -0.07 0.00 -2.04 0.00 0.00 64.34 61.86 1nh5 n VAL 16 Cb 0.50 1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 33.89 1nh5 n VAL 16 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nh5 s ALA 17 N -0.81 -1.96 0.13 2.33 0.00 -1.26 -5.02 121.76 115.18 1nh5 s ALA 17 Ca 0.03 1.40 -0.11 0.00 0.00 0.00 0.00 51.96 53.28 1nh5 s ALA 17 Cb 0.03 -0.11 -0.06 0.00 0.00 0.00 0.00 23.12 22.98 1nh5 s ALA 17 CO 0.10 -0.56 1.45 -0.91 0.00 0.00 0.00 175.76 175.84 1nh5 h ASN 18 N 2.10 0.99 0.07 0.00 2.35 -1.94 -0.68 115.58 118.46 1nh5 h ASN 18 Ca -0.15 -0.49 -0.08 0.00 -0.55 0.00 0.00 56.30 55.03 1nh5 h ASN 18 Cb 1.19 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.27 1nh5 h ASN 18 CO 0.27 1.28 -0.24 -0.55 -1.65 0.00 0.00 177.43 176.54 1nh5 h ASN 19 N 0.73 0.30 1.50 5.81 -1.07 -1.97 0.16 115.58 121.04 1nh5 h ASN 19 Ca 0.05 -0.09 -0.06 0.00 0.07 0.00 0.00 56.30 56.26 1nh5 h ASN 19 Cb 1.03 -0.08 -0.01 0.00 -2.07 0.00 0.00 38.32 37.19 1nh5 h ASN 19 CO 0.10 0.55 -0.31 0.22 0.07 0.00 0.00 177.43 178.07 1nh5 h TYR 20 N 0.27 0.00 0.14 4.14 5.03 -1.82 -1.38 116.97 123.36 1nh5 h TYR 20 Ca 0.04 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 1nh5 h TYR 20 Cb 0.58 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.87 1nh5 h TYR 20 CO 0.01 0.31 -0.07 0.00 -1.32 0.00 0.00 178.16 177.09 1nh5 h ASP 22 N -0.95 0.08 0.13 0.00 3.58 -0.49 0.21 116.42 118.97 1nh5 h ASP 22 Ca -0.02 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 1nh5 h ASP 22 Cb 0.47 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 1nh5 h ASP 22 CO 0.03 0.07 -0.16 -0.55 -2.88 0.00 0.00 179.24 175.75 1nh5 h ASN 23 N 0.16 0.06 1.47 2.28 -1.07 -1.47 0.14 115.58 117.15 1nh5 h ASN 23 Ca 0.08 -0.01 -0.07 0.00 0.07 0.00 0.00 56.30 56.38 1nh5 h ASN 23 Cb 0.05 -0.02 -0.01 0.00 -2.07 0.00 0.00 38.32 36.28 1nh5 h ASN 23 CO -0.09 0.23 -0.54 -0.61 0.07 0.00 0.00 177.43 176.49 1nh5 h GLN 24 N 0.06 0.00 0.04 4.14 4.15 -1.06 -2.90 115.11 119.55 1nh5 h GLN 24 Ca 0.01 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.37 1nh5 h GLN 24 Cb 0.33 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.02 1nh5 h GLN 24 CO 0.02 0.24 -0.26 0.00 -1.93 0.00 0.00 178.83 176.90 1nh5 n LYS 26 N -4.46 0.15 0.21 0.00 2.85 0.36 -0.79 118.16 116.48 1nh5 n LYS 26 Ca -0.11 0.12 0.16 0.00 -1.05 0.00 0.00 58.31 57.43 1nh5 n LYS 26 Cb 0.58 -1.67 0.80 0.00 -0.65 0.00 0.00 35.03 34.09 1nh5 n LYS 26 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1nh5 h MET 27 N 0.00 0.00 0.00 -1.58 -0.00 -1.67 -3.42 114.93 108.27 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 0.00 0.00 1.17 -0.00 0.00 0.00 176.91 178.08 1nh5 n LYS 28 N -3.97 0.00 -0.05 -0.10 4.81 -1.20 -5.01 118.16 112.64 1nh5 n LYS 28 Ca 0.01 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.33 1nh5 n LYS 28 Cb 0.28 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.27 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 0.26 0.00 1.64 1.79 -1.62 -3.47 116.57 115.17 1nh5 h LYS 29 Ca 0.00 -0.10 -0.43 0.00 -2.18 0.00 0.00 60.65 57.94 1nh5 h LYS 29 Cb 0.00 -0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 30.55 1nh5 h LYS 29 CO 0.00 0.54 -0.33 0.00 -1.08 0.00 0.00 179.45 178.58 1nh5 n ALA 30 N -2.33 0.33 -0.06 3.86 0.00 0.03 -4.34 120.51 118.00 1nh5 n ALA 30 Ca -0.06 -1.53 -0.12 0.00 0.00 0.00 0.00 53.44 51.74 1nh5 n ALA 30 Cb 0.24 0.89 -0.14 0.00 0.00 0.00 0.00 19.45 20.44 1nh5 n ALA 30 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nh5 n SER 31 N -1.36 0.90 -0.71 0.00 3.41 -0.67 -4.27 113.62 110.91 1nh5 n SER 31 Ca -0.11 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1nh5 n SER 31 Cb 0.44 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1nh5 n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nh5 n GLY 32 N 1.77 2.56 3.60 5.00 0.00 -0.05 -4.67 105.19 113.40 1nh5 n GLY 32 Ca -0.28 -1.02 0.01 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.71 -0.40 0.10 -0.02 0.00 -1.26 -0.44 107.32 104.59 1nh5 s GLY 33 Ca 0.00 1.01 -0.07 0.00 0.00 0.00 0.00 44.72 45.67 1nh5 s GLY 33 CO 0.00 0.25 0.16 0.30 0.00 0.00 0.00 173.10 173.80 1nh5 s HIS 34 N -2.30 0.34 -0.49 1.90 3.76 -0.04 -4.09 115.29 114.37 1nh5 s HIS 34 Ca 0.13 -0.77 -0.18 0.00 -0.15 0.00 0.00 55.06 54.09 1nh5 s HIS 34 Cb 0.04 -0.16 0.05 0.00 1.11 0.00 0.00 32.58 33.63 1nh5 s HIS 34 CO -0.05 -0.55 0.56 0.00 -0.85 0.00 0.00 174.74 173.86 1nh5 s TYR 36 N 2.40 3.52 0.47 0.00 5.04 -0.90 -4.87 117.35 123.00 1nh5 s TYR 36 Ca 0.13 0.75 0.17 0.00 -2.44 0.00 0.00 57.07 55.68 1nh5 s TYR 36 Cb -0.20 -2.32 1.15 0.00 0.35 0.00 0.00 41.96 40.95 1nh5 s TYR 36 CO 0.11 -0.31 1.99 0.00 -1.34 0.00 0.00 175.55 176.01 1nh5 h ALA 37 N 0.22 2.16 0.04 3.97 0.00 -1.97 -1.91 119.26 121.78 1nh5 h ALA 37 Ca -0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1nh5 h ALA 37 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1nh5 h ALA 37 CO 0.61 -0.30 -0.02 0.52 0.00 0.00 0.00 179.25 180.06 1nh5 h MET 38 N 0.26 -0.05 -2.32 0.00 2.86 -1.97 -3.49 114.93 110.21 1nh5 h MET 38 Ca 0.26 0.00 0.19 0.00 -2.06 0.00 0.00 59.70 58.09 1nh5 h MET 38 Cb 0.68 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.28 1nh5 h MET 38 CO -0.06 0.58 0.55 -1.12 1.06 0.00 0.00 176.91 177.93 1nh5 s SER 39 N -5.86 -0.10 -0.24 1.22 0.01 -0.72 -4.75 113.70 103.26 1nh5 s SER 39 Ca -0.14 -0.48 -0.28 0.00 1.31 0.00 0.00 55.95 56.35 1nh5 s SER 39 Cb -0.01 0.46 -0.04 0.00 0.21 0.00 0.00 66.02 66.64 1nh5 s SER 39 CO 0.52 -0.88 1.99 0.00 0.41 0.00 0.00 173.24 175.28 1nh5 s TYR 41 N 7.22 2.81 0.35 0.00 5.04 0.16 -4.70 117.35 128.22 1nh5 s TYR 41 Ca 0.89 -0.49 -0.09 0.00 -2.44 0.00 0.00 57.07 54.94 1nh5 s TYR 41 Cb -0.29 -4.08 -0.06 0.00 0.35 0.00 0.00 41.96 37.87 1nh5 s TYR 41 CO 0.34 -1.43 0.69 0.00 -1.34 0.00 0.00 175.55 173.81 1nh5 s GLU 43 N -3.59 0.25 0.00 0.00 2.02 0.42 -2.00 118.70 115.81 1nh5 s GLU 43 Ca 0.49 -0.07 0.00 0.00 0.02 0.00 0.00 54.97 55.41 1nh5 s GLU 43 Cb -0.10 -0.29 0.00 0.00 0.10 0.00 0.00 34.13 33.84 1nh5 s GLU 43 CO 0.29 0.02 0.00 0.41 0.02 0.00 0.00 175.26 176.00 1nh5 n GLY 44 N 3.25 0.92 3.82 -1.39 0.00 -1.08 -0.87 105.19 109.84 1nh5 n GLY 44 Ca -0.16 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.88 3.69 0.63 0.99 1.43 0.10 -2.70 118.68 121.94 1nh5 s LEU 45 Ca 0.00 1.71 -0.14 0.00 -1.03 0.00 0.00 54.13 54.67 1nh5 s LEU 45 Cb 0.00 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.67 1nh5 s LEU 45 CO 0.00 -0.71 1.05 -2.16 0.23 0.00 0.00 176.35 174.76 1nh5 s PRO 46 N -3.76 3.23 0.09 1.29 0.04 -1.26 -1.21 135.00 133.41 1nh5 s PRO 46 Ca 0.62 1.09 0.27 0.00 0.04 0.00 0.00 61.00 63.02 1nh5 s PRO 46 Cb -0.12 -2.02 1.05 0.00 0.04 0.00 0.00 34.50 33.45 1nh5 s PRO 46 CO 0.27 -0.88 1.85 0.39 0.04 0.00 0.00 177.00 178.68 1nh5 n GLU 47 N -2.42 0.10 0.23 4.56 1.02 -1.26 -2.35 120.64 120.52 1nh5 n GLU 47 Ca 0.08 0.10 0.11 0.00 -0.02 0.00 0.00 57.16 57.43 1nh5 n GLU 47 Cb 0.53 -1.62 0.42 0.00 -0.02 0.00 0.00 31.44 30.75 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 -2.03 -3.43 115.58 107.29 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 0.58 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.80 1nh5 h ASN 48 CO 0.00 0.16 0.36 0.00 0.07 0.00 0.00 177.43 178.02 1nh5 s ALA 49 N -3.50 3.22 0.06 4.14 0.00 -0.99 -5.01 121.76 119.67 1nh5 s ALA 49 Ca 0.02 0.46 -0.30 0.00 0.00 0.00 0.00 51.96 52.14 1nh5 s ALA 49 Cb 0.09 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 1nh5 s ALA 49 CO 0.63 -0.27 1.00 0.21 0.00 0.00 0.00 175.76 177.33 1nh5 s LYS 50 N 1.14 4.61 0.10 0.00 2.36 -1.26 -4.97 119.74 121.72 1nh5 s LYS 50 Ca 0.50 1.48 0.07 0.00 -2.55 0.00 0.00 55.97 55.47 1nh5 s LYS 50 Cb -0.20 -3.40 -0.03 0.00 -1.05 0.00 0.00 37.83 33.14 1nh5 s LYS 50 CO 0.25 0.05 -0.18 0.14 1.55 0.00 0.00 175.35 177.16 1nh5 s VAL 51 N 0.52 1.49 0.29 4.02 -7.23 -1.26 -1.03 120.40 117.20 1nh5 s VAL 51 Ca 0.50 -1.53 -0.06 0.00 -1.81 0.00 0.00 61.98 59.08 1nh5 s VAL 51 Cb -0.23 -1.44 -0.05 0.00 0.56 0.00 0.00 36.38 35.22 1nh5 s VAL 51 CO 0.29 -0.18 0.57 -0.55 -0.31 0.00 0.00 175.10 174.92 1nh5 s SER 52 N -2.00 6.47 -0.15 4.85 0.15 0.03 -4.87 113.70 118.17 1nh5 s SER 52 Ca 0.05 0.76 0.18 0.00 0.70 0.00 0.00 55.95 57.64 1nh5 s SER 52 Cb -0.09 -2.16 0.44 0.00 -1.71 0.00 0.00 66.02 62.50 1nh5 s SER 52 CO 0.04 -0.20 1.18 -0.90 1.20 0.00 0.00 173.24 174.56 1nh5 n ASP 53 N -0.88 1.89 -2.45 5.45 5.75 -1.26 -1.19 116.55 123.86 1nh5 n ASP 53 Ca -0.01 -2.89 -0.23 0.00 -0.01 0.00 0.00 54.79 51.65 1nh5 n ASP 53 Cb 0.54 -0.41 0.01 0.00 -1.03 0.00 0.00 41.12 40.23 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 -0.39 4.13 -3.60 -1.12 3.41 -1.26 -4.93 113.62 109.85 1nh5 n SER 54 Ca 0.16 -3.51 -0.24 0.00 -0.26 0.00 0.00 58.87 55.02 1nh5 n SER 54 Cb 0.92 -0.45 0.08 0.00 -0.26 0.00 0.00 64.21 64.49 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 -0.46 -1.35 -3.21 7.33 0.00 -1.26 -3.36 120.51 118.20 1nh5 n ALA 55 Ca 0.34 0.38 -0.06 0.00 0.00 0.00 0.00 53.44 54.09 1nh5 n ALA 55 Cb 0.74 -5.33 0.00 0.00 0.00 0.00 0.00 19.45 14.86 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 -4.96 -8.74 0.70 0.00 -1.04 -1.26 -4.88 114.28 94.10 1nh5 n THR 56 Ca -0.01 -0.12 0.12 0.00 -2.04 0.00 0.00 64.05 62.00 1nh5 n THR 56 Cb 0.56 -6.08 0.21 0.00 -1.82 0.00 0.00 70.33 63.20 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 -1.83 0.62 -4.78 8.00 0.23 -1.21 -3.87 115.26 112.41 1nh5 n ASN 57 Ca -0.06 0.04 -0.37 0.00 -0.53 0.00 0.00 54.58 53.66 1nh5 n ASN 57 Cb 0.54 0.15 -0.07 0.00 -2.08 0.00 0.00 39.78 38.33 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 -3.12 5.25 0.00 1.53 1.01 -1.26 -4.53 121.20 120.09 1nh5 s ILE 58 Ca 0.08 0.61 0.00 0.00 0.00 0.00 0.00 60.65 61.33 1nh5 s ILE 58 Cb 0.15 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.98 1nh5 s ILE 58 CO 0.71 0.46 0.00 0.00 0.00 0.00 0.00 174.94 176.11