#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 -0.43 116.67 119.08 1nh5 s ASP 2 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 52.55 53.29 1nh5 s ASP 2 Cb 0.00 0.25 0.00 0.00 1.01 0.00 0.00 42.92 44.18 1nh5 s ASP 2 CO 0.00 -0.22 0.00 0.61 0.21 0.00 0.00 175.17 175.77 1nh5 n GLY 3 N 2.20 -0.09 3.12 0.21 0.00 -0.33 -4.62 105.19 105.67 1nh5 n GLY 3 Ca -0.18 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 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 3.23 0.42 1.61 2.02 0.46 0.28 117.35 121.37 1nh5 s TYR 4 Ca 0.00 -2.09 -0.23 0.00 -0.37 0.00 0.00 57.07 54.38 1nh5 s TYR 4 Cb 0.00 -2.00 -0.09 0.00 -0.40 0.00 0.00 41.96 39.47 1nh5 s TYR 4 CO 0.00 -0.84 1.05 -1.25 -1.57 0.00 0.00 175.55 172.94 1nh5 s PRO 5 N 1.18 4.08 -0.19 -1.71 0.04 -1.26 -0.70 135.00 136.42 1nh5 s PRO 5 Ca -0.06 1.49 -0.13 0.00 0.04 0.00 0.00 61.00 62.34 1nh5 s PRO 5 Cb -0.19 -2.45 0.06 0.00 0.04 0.00 0.00 34.50 31.96 1nh5 s PRO 5 CO -0.04 -0.22 0.49 0.54 0.04 0.00 0.00 177.00 177.81 1nh5 s VAL 6 N -1.72 -0.01 0.00 -0.36 0.11 -1.10 -4.60 120.40 112.73 1nh5 s VAL 6 Ca 0.60 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.69 1nh5 s VAL 6 Cb -0.21 -0.70 0.00 0.00 -1.53 0.00 0.00 36.38 33.93 1nh5 s VAL 6 CO 0.26 0.02 0.00 -0.90 -3.33 0.00 0.00 175.10 171.15 1nh5 n ASP 7 N 3.78 0.00 0.10 3.54 5.75 -1.26 -4.65 116.55 123.81 1nh5 n ASP 7 Ca -0.19 0.00 -0.19 0.00 -0.01 0.00 0.00 54.79 54.40 1nh5 n ASP 7 Cb 0.56 0.14 -0.15 0.00 -1.03 0.00 0.00 41.12 40.65 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 0.53 1.29 -1.12 4.64 -2.00 -3.21 113.55 113.68 1nh5 h SER 8 Ca 0.00 -0.63 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 1nh5 h SER 8 Cb 0.00 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 1nh5 h SER 8 CO 0.00 1.51 0.00 2.29 -0.87 0.00 0.00 176.83 179.76 1nh5 n LYS 9 N -3.56 0.22 0.00 4.77 2.85 -1.26 -4.91 118.16 116.27 1nh5 n LYS 9 Ca -0.14 0.22 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 1nh5 n LYS 9 Cb 1.05 -1.78 0.00 0.00 -0.65 0.00 0.00 35.03 33.66 1nh5 n LYS 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1nh5 n GLY 10 N 1.10 2.13 2.26 2.58 0.00 -1.21 -4.19 105.19 107.85 1nh5 n GLY 10 Ca 0.05 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.54 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 0.42 -2.67 -0.01 0.00 5.02 -1.26 -4.03 118.16 115.64 1nh5 n LYS 12 Ca 0.22 1.76 0.12 0.00 -2.02 0.00 0.00 58.31 58.39 1nh5 n LYS 12 Cb 0.65 -3.25 0.15 0.00 -0.02 0.00 0.00 35.03 32.56 1nh5 n LYS 12 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1nh5 n LEU 13 N -3.97 2.89 -3.93 -0.35 4.32 -1.26 -4.92 117.00 109.77 1nh5 n LEU 13 Ca 0.01 -0.99 -0.39 0.00 -0.02 0.00 0.00 56.01 54.62 1nh5 n LEU 13 Cb 0.60 -0.02 0.02 0.00 -1.62 0.00 0.00 43.42 42.41 1nh5 n LEU 13 CO 0.01 0.49 -0.15 -1.54 -1.22 0.00 0.00 177.39 174.98 1nh5 n SER 14 N 1.25 -4.59 -4.78 -1.43 3.41 -1.26 -4.87 113.62 101.35 1nh5 n SER 14 Ca 0.15 -1.16 -0.36 0.00 -0.26 0.00 0.00 58.87 57.24 1nh5 n SER 14 Cb 0.58 -2.07 -0.01 0.00 -0.26 0.00 0.00 64.21 62.44 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 -0.84 0.94 -3.57 0.00 0.24 -1.26 -4.35 118.33 109.49 1nh5 n VAL 16 Ca 0.09 -1.10 -0.14 0.00 -2.04 0.00 0.00 64.34 61.15 1nh5 n VAL 16 Cb 0.50 0.24 -0.06 0.00 -1.47 0.00 0.00 33.84 33.05 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 -1.36 -1.84 0.11 2.33 0.00 -1.26 -5.06 121.76 114.68 1nh5 s ALA 17 Ca 0.14 1.58 -0.15 0.00 0.00 0.00 0.00 51.96 53.53 1nh5 s ALA 17 Cb 0.12 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1nh5 s ALA 17 CO 0.01 -0.33 1.54 -0.91 0.00 0.00 0.00 175.76 176.07 1nh5 h ASN 18 N 3.38 0.66 0.09 0.00 2.35 -1.94 -2.39 115.58 117.73 1nh5 h ASN 18 Ca -0.25 -0.33 -0.03 0.00 -0.55 0.00 0.00 56.30 55.14 1nh5 h ASN 18 Cb 1.15 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 1nh5 h ASN 18 CO 0.28 0.84 -0.11 -0.55 -1.65 0.00 0.00 177.43 176.23 1nh5 h ASN 19 N 0.47 0.06 0.89 5.81 -1.07 -1.97 0.26 115.58 120.03 1nh5 h ASN 19 Ca 0.10 -0.01 -0.07 0.00 0.07 0.00 0.00 56.30 56.39 1nh5 h ASN 19 Cb 0.52 -0.02 -0.01 0.00 -2.07 0.00 0.00 38.32 36.74 1nh5 h ASN 19 CO 0.03 0.18 -0.33 0.22 0.07 0.00 0.00 177.43 177.59 1nh5 h TYR 20 N 0.06 0.00 0.02 4.14 3.20 -1.85 -2.74 116.97 119.81 1nh5 h TYR 20 Ca 0.01 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.72 1nh5 h TYR 20 Cb 0.24 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1nh5 h TYR 20 CO 0.00 0.33 -0.89 0.00 -1.64 0.00 0.00 178.16 175.97 1nh5 h ASP 22 N -0.88 0.63 -0.42 0.00 3.58 -0.29 0.23 116.42 119.27 1nh5 h ASP 22 Ca -0.23 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.13 1nh5 h ASP 22 Cb 1.29 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 42.18 1nh5 h ASP 22 CO -0.10 0.42 -0.06 -0.55 -2.88 0.00 0.00 179.24 176.07 1nh5 h ASN 23 N 0.72 0.84 1.18 2.28 7.08 -1.72 -1.93 115.58 124.03 1nh5 h ASN 23 Ca 0.29 -0.24 -0.05 0.00 -3.08 0.00 0.00 56.30 53.22 1nh5 h ASN 23 Cb 0.22 -0.23 -0.01 0.00 -2.08 0.00 0.00 38.32 36.23 1nh5 h ASN 23 CO -0.09 0.94 -0.23 0.06 -2.08 0.00 0.00 177.43 176.03 1nh5 h GLN 24 N 0.78 0.00 0.21 4.14 -0.00 -0.77 0.27 115.11 119.74 1nh5 h GLN 24 Ca 0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.78 1nh5 h GLN 24 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.04 1nh5 h GLN 24 CO 0.03 0.23 -0.10 0.00 -0.00 0.00 0.00 178.83 178.99 1nh5 h LYS 26 N -0.81 1.30 -0.40 0.00 1.57 -0.90 0.14 116.57 117.46 1nh5 h LYS 26 Ca -0.03 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1nh5 h LYS 26 Cb 0.51 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1nh5 h LYS 26 CO 0.05 0.86 0.27 0.52 -0.57 0.00 0.00 179.45 180.58 1nh5 h MET 27 N 1.34 0.35 0.00 3.15 2.86 -1.07 -3.42 114.93 118.14 1nh5 h MET 27 Ca 0.36 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.98 1nh5 h MET 27 Cb -0.15 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.43 1nh5 h MET 27 CO -0.08 0.23 0.00 0.36 1.06 0.00 0.00 176.91 178.48 1nh5 n LYS 28 N -4.48 0.00 -0.17 1.72 2.85 -0.92 -5.03 118.16 112.12 1nh5 n LYS 28 Ca 0.05 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.20 1nh5 n LYS 28 Cb 0.20 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.59 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 0.93 0.00 -1.58 1.79 -0.93 -3.46 116.57 113.32 1nh5 h LYS 29 Ca 0.00 -0.32 -0.08 0.00 -2.18 0.00 0.00 60.65 58.07 1nh5 h LYS 29 Cb 0.00 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 1nh5 h LYS 29 CO 0.00 0.98 0.05 0.00 -1.08 0.00 0.00 179.45 179.40 1nh5 n ALA 30 N -2.46 -0.68 0.09 3.86 0.00 0.22 -4.34 120.51 117.20 1nh5 n ALA 30 Ca 0.01 -0.83 -0.02 0.00 0.00 0.00 0.00 53.44 52.60 1nh5 n ALA 30 Cb 0.36 0.67 -0.05 0.00 0.00 0.00 0.00 19.45 20.42 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 1.16 0.00 0.00 0.00 0.02 -1.11 -3.25 113.55 110.37 1nh5 h SER 31 Ca -0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1nh5 h SER 31 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1nh5 h SER 31 CO 0.23 0.74 0.00 0.61 -1.14 0.00 0.00 176.83 177.27 1nh5 n GLY 32 N 1.31 -0.87 0.00 -3.77 0.00 -1.14 -4.59 105.19 96.13 1nh5 n GLY 32 Ca -0.01 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 0.21 3.43 -0.02 0.00 -1.26 0.51 105.19 108.05 1nh5 n GLY 33 Ca 0.00 -1.47 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 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 -3.02 0.90 -0.48 1.61 3.76 0.04 -4.22 115.29 113.89 1nh5 s HIS 34 Ca 0.00 -1.15 -0.14 0.00 -0.15 0.00 0.00 55.06 53.62 1nh5 s HIS 34 Cb 0.00 -0.17 0.10 0.00 1.11 0.00 0.00 32.58 33.62 1nh5 s HIS 34 CO 0.00 -0.93 0.39 0.00 -0.85 0.00 0.00 174.74 173.35 1nh5 s TYR 36 N 1.55 3.20 -1.41 0.00 6.14 0.72 -4.57 117.35 122.98 1nh5 s TYR 36 Ca 0.04 -0.05 -0.10 0.00 0.64 0.00 0.00 57.07 57.60 1nh5 s TYR 36 Cb -0.26 -2.21 0.01 0.00 0.42 0.00 0.00 41.96 39.93 1nh5 s TYR 36 CO 0.04 -0.07 0.30 0.00 0.64 0.00 0.00 175.55 176.46 1nh5 n ALA 37 N 4.33 -2.19 -3.65 3.97 0.00 -1.26 0.04 120.51 121.74 1nh5 n ALA 37 Ca -0.16 -0.42 -0.24 0.00 0.00 0.00 0.00 53.44 52.63 1nh5 n ALA 37 Cb 0.52 -1.59 0.06 0.00 0.00 0.00 0.00 19.45 18.44 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 -4.64 -6.69 -3.65 0.00 1.56 -1.26 -4.98 117.12 97.46 1nh5 n MET 38 Ca -0.26 0.75 -0.14 0.00 -0.27 0.00 0.00 57.70 57.78 1nh5 n MET 38 Cb 0.66 -5.69 -0.08 0.00 2.15 0.00 0.00 33.22 30.26 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 -3.69 -0.69 -0.65 6.12 0.01 0.11 -4.46 113.70 110.45 1nh5 s SER 39 Ca 0.40 1.32 -0.28 0.00 1.31 0.00 0.00 55.95 58.70 1nh5 s SER 39 Cb -0.19 1.33 0.03 0.00 0.21 0.00 0.00 66.02 67.41 1nh5 s SER 39 CO 0.77 -0.24 1.26 0.00 0.41 0.00 0.00 173.24 175.44 1nh5 s TYR 41 N 5.47 2.94 0.47 0.00 5.04 0.76 -4.33 117.35 127.70 1nh5 s TYR 41 Ca 0.40 -0.91 -0.04 0.00 -2.44 0.00 0.00 57.07 54.09 1nh5 s TYR 41 Cb -0.08 -4.10 -0.03 0.00 0.35 0.00 0.00 41.96 38.11 1nh5 s TYR 41 CO 0.21 -1.39 0.75 0.00 -1.34 0.00 0.00 175.55 173.77 1nh5 s GLU 43 N -4.68 0.71 0.00 0.00 2.02 0.18 -1.19 118.70 115.75 1nh5 s GLU 43 Ca 0.47 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.30 1nh5 s GLU 43 Cb -0.10 -0.71 0.00 0.00 0.10 0.00 0.00 34.13 33.42 1nh5 s GLU 43 CO 0.43 0.02 0.00 0.41 0.02 0.00 0.00 175.26 176.13 1nh5 n GLY 44 N 3.56 0.59 3.90 -1.39 0.00 0.02 -0.88 105.19 111.00 1nh5 n GLY 44 Ca -0.21 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.13 3.81 0.34 0.99 1.43 0.43 -3.82 118.68 119.74 1nh5 s LEU 45 Ca 0.00 0.92 -0.26 0.00 -1.03 0.00 0.00 54.13 53.75 1nh5 s LEU 45 Cb 0.00 -3.81 -0.09 0.00 0.03 0.00 0.00 46.19 42.31 1nh5 s LEU 45 CO 0.00 -0.42 1.07 -2.16 0.23 0.00 0.00 176.35 175.07 1nh5 s PRO 46 N -4.17 4.38 0.36 1.29 0.04 -1.26 -4.20 135.00 131.44 1nh5 s PRO 46 Ca 0.47 1.64 0.21 0.00 0.04 0.00 0.00 61.00 63.36 1nh5 s PRO 46 Cb -0.10 -2.84 0.21 0.00 0.04 0.00 0.00 34.50 31.81 1nh5 s PRO 46 CO 0.37 0.03 1.46 0.93 0.04 0.00 0.00 177.00 179.83 1nh5 h GLU 47 N 3.11 0.00 0.00 4.56 5.08 -1.98 -3.15 114.58 122.20 1nh5 h GLU 47 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1nh5 h GLU 47 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1nh5 h GLU 47 CO 0.64 0.12 0.00 -2.95 -1.00 0.00 0.00 179.01 175.83 1nh5 h ASN 48 N 0.00 0.00 -3.82 1.42 7.08 -2.03 -3.43 115.58 114.80 1nh5 h ASN 48 Ca -0.01 0.00 -0.48 0.00 -3.08 0.00 0.00 56.30 52.73 1nh5 h ASN 48 Cb 1.11 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.33 1nh5 h ASN 48 CO 0.02 0.00 0.20 0.00 -2.08 0.00 0.00 177.43 175.57 1nh5 s ALA 49 N -3.31 3.24 -0.50 4.14 0.00 -1.19 -5.00 121.76 119.13 1nh5 s ALA 49 Ca 0.06 0.23 -0.28 0.00 0.00 0.00 0.00 51.96 51.97 1nh5 s ALA 49 Cb 0.08 -2.94 0.02 0.00 0.00 0.00 0.00 23.12 20.28 1nh5 s ALA 49 CO 0.58 0.25 1.32 0.21 0.00 0.00 0.00 175.76 178.12 1nh5 s LYS 50 N -2.76 3.50 0.08 0.00 2.36 -1.26 -4.96 119.74 116.71 1nh5 s LYS 50 Ca 0.54 0.58 0.04 0.00 -2.55 0.00 0.00 55.97 54.59 1nh5 s LYS 50 Cb -0.12 -4.03 -0.03 0.00 -1.05 0.00 0.00 37.83 32.60 1nh5 s LYS 50 CO 0.17 -1.67 -0.12 0.14 1.55 0.00 0.00 175.35 175.43 1nh5 s VAL 51 N 5.36 0.98 0.31 4.02 -7.23 -1.26 -2.70 120.40 119.89 1nh5 s VAL 51 Ca 0.52 -1.46 -0.04 0.00 -1.81 0.00 0.00 61.98 59.19 1nh5 s VAL 51 Cb -0.10 -1.18 -0.05 0.00 0.56 0.00 0.00 36.38 35.61 1nh5 s VAL 51 CO 0.29 -0.41 0.57 -0.55 -0.31 0.00 0.00 175.10 174.68 1nh5 s SER 52 N -2.10 6.40 -0.01 4.85 0.15 0.12 -4.91 113.70 118.19 1nh5 s SER 52 Ca 0.01 0.67 0.16 0.00 0.70 0.00 0.00 55.95 57.49 1nh5 s SER 52 Cb -0.06 -2.12 0.28 0.00 -1.71 0.00 0.00 66.02 62.40 1nh5 s SER 52 CO 0.01 -0.24 1.11 -0.90 1.20 0.00 0.00 173.24 174.42 1nh5 n ASP 53 N -1.21 0.70 -3.39 5.45 3.85 -1.26 -0.40 116.55 120.29 1nh5 n ASP 53 Ca -0.02 -2.09 -0.26 0.00 -0.71 0.00 0.00 54.79 51.71 1nh5 n ASP 53 Cb 0.54 -0.28 -0.08 0.00 -1.35 0.00 0.00 41.12 39.96 1nh5 n ASP 53 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1nh5 n SER 54 N 0.23 2.08 -3.42 -1.12 3.41 -1.26 -4.96 113.62 108.58 1nh5 n SER 54 Ca 0.05 -3.07 -0.17 0.00 -0.26 0.00 0.00 58.87 55.42 1nh5 n SER 54 Cb 0.97 -0.66 0.09 0.00 -0.26 0.00 0.00 64.21 64.35 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 1.32 -2.03 -3.49 7.33 0.00 -1.26 -3.46 120.51 118.92 1nh5 n ALA 55 Ca 0.26 -0.05 -0.18 0.00 0.00 0.00 0.00 53.44 53.46 1nh5 n ALA 55 Cb 0.45 -2.54 0.08 0.00 0.00 0.00 0.00 19.45 17.44 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 -4.09 -5.55 1.12 0.00 -1.04 -1.26 -4.84 114.28 98.61 1nh5 n THR 56 Ca -0.28 -0.47 0.13 0.00 -2.04 0.00 0.00 64.05 61.39 1nh5 n THR 56 Cb 0.67 -4.73 0.32 0.00 -1.82 0.00 0.00 70.33 64.77 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 -3.11 0.71 -4.80 8.00 0.23 -1.22 -4.87 115.26 110.20 1nh5 n ASN 57 Ca -0.27 -0.52 -0.34 0.00 -0.53 0.00 0.00 54.58 52.92 1nh5 n ASN 57 Cb 0.66 0.18 -0.01 0.00 -2.08 0.00 0.00 39.78 38.53 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 -2.77 3.72 0.18 1.53 1.01 -1.26 -4.93 121.20 118.68 1nh5 s ILE 58 Ca 0.17 0.96 -0.26 0.00 0.00 0.00 0.00 60.65 61.52 1nh5 s ILE 58 Cb 0.18 -3.40 0.04 0.00 0.01 0.00 0.00 42.46 39.29 1nh5 s ILE 58 CO 0.61 -0.34 1.55 0.00 0.00 0.00 0.00 174.94 176.76