#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 -0.02 0.00 3.14 1.11 -1.26 -0.41 116.67 119.23 1nh5 s ASP 2 Ca 0.00 -0.13 0.00 0.00 0.18 0.00 0.00 52.55 52.60 1nh5 s ASP 2 Cb 0.00 0.23 0.00 0.00 1.07 0.00 0.00 42.92 44.22 1nh5 s ASP 2 CO 0.00 -0.38 0.00 0.61 1.18 0.00 0.00 175.17 176.58 1nh5 n GLY 3 N 1.47 0.03 3.52 0.21 0.00 -0.12 -4.82 105.19 105.48 1nh5 n GLY 3 Ca -0.22 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.94 3.21 0.52 1.61 2.02 0.15 -0.10 117.35 121.82 1nh5 s TYR 4 Ca 0.00 -0.17 -0.19 0.00 -0.37 0.00 0.00 57.07 56.34 1nh5 s TYR 4 Cb 0.00 -2.65 -0.07 0.00 -0.40 0.00 0.00 41.96 38.83 1nh5 s TYR 4 CO 0.00 -0.47 1.04 -1.25 -1.57 0.00 0.00 175.55 173.30 1nh5 s PRO 5 N 1.94 3.67 -0.18 -1.71 0.04 -1.26 -0.11 135.00 137.40 1nh5 s PRO 5 Ca 0.10 1.30 -0.09 0.00 0.04 0.00 0.00 61.00 62.34 1nh5 s PRO 5 Cb -0.17 -2.08 0.06 0.00 0.04 0.00 0.00 34.50 32.35 1nh5 s PRO 5 CO 0.12 -0.53 0.42 0.54 0.04 0.00 0.00 177.00 177.59 1nh5 s VAL 6 N -2.14 -0.04 0.00 -0.36 0.11 -0.19 -4.04 120.40 113.74 1nh5 s VAL 6 Ca 0.66 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.80 1nh5 s VAL 6 Cb -0.16 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.06 1nh5 s VAL 6 CO 0.25 0.04 0.00 -0.90 -3.33 0.00 0.00 175.10 171.16 1nh5 n ASP 7 N 4.30 0.00 0.02 3.54 5.75 -1.26 -4.34 116.55 124.55 1nh5 n ASP 7 Ca -0.23 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.34 1nh5 n ASP 7 Cb 0.55 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.50 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 0.40 0.25 -1.12 4.64 -2.00 -3.28 113.55 112.45 1nh5 h SER 8 Ca 0.00 -0.87 0.00 0.00 -0.47 0.00 0.00 61.79 60.45 1nh5 h SER 8 Cb 0.00 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 1nh5 h SER 8 CO 0.00 1.59 -0.92 2.29 -0.87 0.00 0.00 176.83 178.92 1nh5 n LYS 9 N -3.94 0.11 0.00 4.77 0.00 -1.26 -5.00 118.16 112.84 1nh5 n LYS 9 Ca -0.23 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.07 1nh5 n LYS 9 Cb 0.90 -1.53 0.00 0.00 -0.00 0.00 0.00 35.03 34.40 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 1.45 2.28 3.21 2.58 0.00 -1.24 -4.73 105.19 108.75 1nh5 n GLY 10 Ca 0.03 -0.16 -0.44 0.00 0.00 0.00 0.00 46.02 45.46 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 2.73 -1.14 0.00 0.00 4.76 -1.26 -4.53 118.16 118.72 1nh5 n LYS 12 Ca 0.28 0.86 0.12 0.00 -2.87 0.00 0.00 58.31 56.70 1nh5 n LYS 12 Cb 0.37 -1.36 0.17 0.00 -1.84 0.00 0.00 35.03 32.38 1nh5 n LYS 12 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1nh5 n LEU 13 N -3.13 2.54 0.00 -0.35 4.77 -1.26 -4.96 117.00 114.61 1nh5 n LEU 13 Ca -0.02 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.11 1nh5 n LEU 13 Cb 0.24 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1nh5 n LEU 13 CO 0.01 0.43 0.00 -0.24 -1.33 0.00 0.00 177.39 176.26 1nh5 n SER 14 N 0.90 0.00 -3.35 -1.43 2.88 -1.26 -4.72 113.62 106.63 1nh5 n SER 14 Ca 0.14 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.49 1nh5 n SER 14 Cb 0.53 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.01 1nh5 n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nh5 h VAL 16 N 2.86 0.00 -3.45 0.00 2.07 -1.95 -3.43 116.25 112.34 1nh5 h VAL 16 Ca -0.28 -0.46 -0.47 0.00 0.82 0.00 0.00 66.70 66.30 1nh5 h VAL 16 Cb 1.20 1.36 -0.18 0.00 -1.52 0.00 0.00 31.29 32.16 1nh5 h VAL 16 CO 0.11 0.00 -0.77 0.00 0.02 0.00 0.00 177.57 176.93 1nh5 s ALA 17 N -3.32 1.77 0.25 1.67 0.00 -1.26 -5.05 121.76 115.81 1nh5 s ALA 17 Ca 0.06 -1.39 -0.03 0.00 0.00 0.00 0.00 51.96 50.60 1nh5 s ALA 17 Cb 0.09 -0.14 0.30 0.00 0.00 0.00 0.00 23.12 23.38 1nh5 s ALA 17 CO 0.52 0.18 1.73 -0.91 0.00 0.00 0.00 175.76 177.28 1nh5 h ASN 18 N 3.39 0.77 1.72 0.00 4.21 -1.93 -1.16 115.58 122.59 1nh5 h ASN 18 Ca -0.41 -0.20 -0.04 0.00 1.21 0.00 0.00 56.30 56.86 1nh5 h ASN 18 Cb 1.20 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 38.19 1nh5 h ASN 18 CO 0.50 0.86 -0.17 -0.55 -1.29 0.00 0.00 177.43 176.79 1nh5 h ASN 19 N 0.73 0.00 0.80 5.81 7.08 -1.95 -3.23 115.58 124.83 1nh5 h ASN 19 Ca 0.13 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.34 1nh5 h ASN 19 Cb 0.51 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.75 1nh5 h ASN 19 CO 0.03 0.17 -0.08 0.22 -2.08 0.00 0.00 177.43 175.68 1nh5 h TYR 20 N 0.00 0.00 0.01 4.14 3.20 -1.57 -1.91 116.97 120.85 1nh5 h TYR 20 Ca -0.00 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1nh5 h TYR 20 Cb 1.08 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 1nh5 h TYR 20 CO 0.00 0.08 -0.06 0.00 -1.64 0.00 0.00 178.16 176.54 1nh5 h ASP 22 N -0.12 0.12 -0.05 0.00 3.58 -1.46 0.69 116.42 119.18 1nh5 h ASP 22 Ca 0.02 -0.10 -0.08 0.00 0.42 0.00 0.00 57.03 57.29 1nh5 h ASP 22 Cb 0.14 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 1nh5 h ASP 22 CO -0.06 0.19 -0.21 -0.55 -2.88 0.00 0.00 179.24 175.74 1nh5 h ASN 23 N 0.05 0.43 1.09 2.28 -1.07 -1.69 -0.95 115.58 115.71 1nh5 h ASN 23 Ca 0.03 -0.13 -0.08 0.00 0.07 0.00 0.00 56.30 56.19 1nh5 h ASN 23 Cb 0.10 -0.12 -0.01 0.00 -2.07 0.00 0.00 38.32 36.22 1nh5 h ASN 23 CO -0.00 0.65 -0.39 -0.61 0.07 0.00 0.00 177.43 177.15 1nh5 h GLN 24 N 0.40 0.00 0.02 4.14 4.15 -0.41 -0.98 115.11 122.43 1nh5 h GLN 24 Ca 0.06 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.44 1nh5 h GLN 24 Cb 0.59 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1nh5 h GLN 24 CO 0.04 0.39 -0.23 0.00 -1.93 0.00 0.00 178.83 177.09 1nh5 n LYS 26 N -4.52 0.02 -0.30 0.00 2.85 -0.39 -0.49 118.16 115.33 1nh5 n LYS 26 Ca -0.12 0.11 0.12 0.00 -1.05 0.00 0.00 58.31 57.37 1nh5 n LYS 26 Cb 0.55 -1.52 0.29 0.00 -0.65 0.00 0.00 35.03 33.70 1nh5 n LYS 26 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 1nh5 h MET 27 N 0.00 0.33 0.00 -1.58 4.05 -1.28 -3.44 114.93 113.01 1nh5 h MET 27 Ca 0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1nh5 h MET 27 Cb 0.41 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.14 1nh5 h MET 27 CO 0.00 0.22 0.00 1.17 0.23 0.00 0.00 176.91 178.53 1nh5 n LYS 28 N -5.10 0.00 0.03 0.39 0.00 -0.88 -4.99 118.16 107.61 1nh5 n LYS 28 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.40 1nh5 n LYS 28 Cb 0.64 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.59 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 -0.03 0.00 1.64 1.79 -1.05 -3.48 116.57 115.45 1nh5 h LYS 29 Ca 0.00 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 1nh5 h LYS 29 Cb 0.00 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1nh5 h LYS 29 CO 0.00 0.18 -0.05 0.00 -1.08 0.00 0.00 179.45 178.50 1nh5 n ALA 30 N -2.21 0.07 -0.02 3.86 0.00 -0.15 -4.35 120.51 117.71 1nh5 n ALA 30 Ca -0.08 -0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.03 1nh5 n ALA 30 Cb 0.13 0.16 -0.14 0.00 0.00 0.00 0.00 19.45 19.59 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 -2.80 1.29 -0.25 0.00 3.41 -0.07 -4.12 113.62 111.08 1nh5 n SER 31 Ca 0.01 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1nh5 n SER 31 Cb 0.06 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 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 1.74 2.86 0.00 5.00 0.00 -0.30 -4.55 105.19 109.94 1nh5 n GLY 32 Ca -0.24 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 0.05 3.07 -0.02 0.00 -1.26 -0.20 105.19 106.82 1nh5 n GLY 33 Ca 0.00 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.00 0.24 -0.75 1.61 5.65 -0.12 -3.94 115.29 115.98 1nh5 s HIS 34 Ca 0.00 -0.54 -0.22 0.00 0.25 0.00 0.00 55.06 54.55 1nh5 s HIS 34 Cb 0.00 -0.18 0.08 0.00 -1.18 0.00 0.00 32.58 31.30 1nh5 s HIS 34 CO 0.00 -0.30 1.08 0.00 -0.65 0.00 0.00 174.74 174.87 1nh5 s TYR 36 N 4.07 3.17 -1.52 0.00 6.14 0.11 -4.45 117.35 124.87 1nh5 s TYR 36 Ca 0.28 0.00 -0.01 0.00 0.64 0.00 0.00 57.07 57.98 1nh5 s TYR 36 Cb -0.12 -1.96 0.01 0.00 0.42 0.00 0.00 41.96 40.32 1nh5 s TYR 36 CO 0.05 0.20 0.18 0.00 0.64 0.00 0.00 175.55 176.62 1nh5 n ALA 37 N 3.10 -1.96 -3.81 3.97 0.00 -1.26 -0.27 120.51 120.28 1nh5 n ALA 37 Ca -0.17 -0.35 -0.28 0.00 0.00 0.00 0.00 53.44 52.64 1nh5 n ALA 37 Cb 0.53 -1.16 0.04 0.00 0.00 0.00 0.00 19.45 18.86 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 -4.50 -6.02 -3.59 0.00 1.56 -1.26 -4.97 117.12 98.35 1nh5 n MET 38 Ca -0.30 0.66 -0.16 0.00 -0.27 0.00 0.00 57.70 57.63 1nh5 n MET 38 Cb 0.68 -5.55 -0.07 0.00 2.15 0.00 0.00 33.22 30.43 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 -3.46 -0.57 -0.73 6.12 0.01 0.63 -4.82 113.70 110.88 1nh5 s SER 39 Ca 0.55 0.68 -0.26 0.00 1.31 0.00 0.00 55.95 58.23 1nh5 s SER 39 Cb -0.27 0.60 0.04 0.00 0.21 0.00 0.00 66.02 66.61 1nh5 s SER 39 CO 0.80 -0.52 1.20 0.00 0.41 0.00 0.00 173.24 175.14 1nh5 s TYR 41 N 5.29 2.17 0.30 0.00 5.04 0.60 -4.34 117.35 126.41 1nh5 s TYR 41 Ca 0.32 -0.02 -0.11 0.00 -2.44 0.00 0.00 57.07 54.82 1nh5 s TYR 41 Cb -0.10 -4.48 -0.07 0.00 0.35 0.00 0.00 41.96 37.66 1nh5 s TYR 41 CO 0.13 -2.05 0.65 0.00 -1.34 0.00 0.00 175.55 172.94 1nh5 s GLU 43 N -3.16 0.81 0.00 0.00 2.02 0.72 -0.94 118.70 118.15 1nh5 s GLU 43 Ca 0.50 0.01 0.00 0.00 0.02 0.00 0.00 54.97 55.49 1nh5 s GLU 43 Cb -0.11 -1.06 0.00 0.00 0.10 0.00 0.00 34.13 33.07 1nh5 s GLU 43 CO 0.23 -0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.67 1nh5 n GLY 44 N 4.91 0.78 3.93 -1.39 0.00 0.45 -0.89 105.19 112.98 1nh5 n GLY 44 Ca -0.11 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.43 3.82 0.54 0.99 1.02 0.45 -2.37 118.68 121.71 1nh5 s LEU 45 Ca 0.00 0.55 -0.18 0.00 0.02 0.00 0.00 54.13 54.52 1nh5 s LEU 45 Cb 0.00 -3.44 -0.06 0.00 0.02 0.00 0.00 46.19 42.71 1nh5 s LEU 45 CO 0.00 -0.47 1.04 -2.16 0.02 0.00 0.00 176.35 174.79 1nh5 s PRO 46 N -4.49 3.58 0.30 1.29 0.04 -1.26 -3.64 135.00 130.82 1nh5 s PRO 46 Ca 0.44 1.25 0.26 0.00 0.04 0.00 0.00 61.00 62.98 1nh5 s PRO 46 Cb -0.10 -2.07 0.95 0.00 0.04 0.00 0.00 34.50 33.33 1nh5 s PRO 46 CO 0.39 -0.60 1.76 1.05 0.04 0.00 0.00 177.00 179.64 1nh5 h GLU 47 N 0.95 0.00 0.00 4.56 4.11 -1.98 -1.85 114.58 120.37 1nh5 h GLU 47 Ca -0.48 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.94 1nh5 h GLU 47 Cb 1.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 1nh5 h GLU 47 CO 0.58 0.00 -0.06 -2.95 0.07 0.00 0.00 179.01 176.66 1nh5 h ASN 48 N 0.00 0.00 -3.27 3.06 -1.07 -2.03 -3.43 115.58 108.84 1nh5 h ASN 48 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 56.30 55.81 1nh5 h ASN 48 Cb 0.52 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.73 1nh5 h ASN 48 CO 0.00 0.06 0.52 0.00 0.07 0.00 0.00 177.43 178.08 1nh5 s ALA 49 N -3.61 3.41 -0.20 4.14 0.00 -0.70 -4.99 121.76 119.81 1nh5 s ALA 49 Ca 0.02 0.33 -0.29 0.00 0.00 0.00 0.00 51.96 52.02 1nh5 s ALA 49 Cb 0.09 -3.39 -0.00 0.00 0.00 0.00 0.00 23.12 19.82 1nh5 s ALA 49 CO 0.58 -0.58 1.11 0.21 0.00 0.00 0.00 175.76 177.08 1nh5 s LYS 50 N 1.95 4.26 0.07 0.00 2.36 -1.26 -4.97 119.74 122.15 1nh5 s LYS 50 Ca 0.47 1.47 0.08 0.00 -2.55 0.00 0.00 55.97 55.43 1nh5 s LYS 50 Cb -0.18 -3.67 -0.03 0.00 -1.05 0.00 0.00 37.83 32.90 1nh5 s LYS 50 CO 0.18 -0.63 -0.21 0.14 1.55 0.00 0.00 175.35 176.38 1nh5 s VAL 51 N 3.19 1.69 0.23 4.02 -7.23 -1.26 -1.02 120.40 120.01 1nh5 s VAL 51 Ca 0.48 -1.34 -0.19 0.00 -1.81 0.00 0.00 61.98 59.11 1nh5 s VAL 51 Cb -0.18 -1.49 -0.08 0.00 0.56 0.00 0.00 36.38 35.19 1nh5 s VAL 51 CO 0.10 0.09 0.72 -0.55 -0.31 0.00 0.00 175.10 175.16 1nh5 s SER 52 N -1.48 7.04 -0.24 4.85 0.15 0.85 -4.84 113.70 120.03 1nh5 s SER 52 Ca 0.07 1.41 0.11 0.00 0.70 0.00 0.00 55.95 58.24 1nh5 s SER 52 Cb -0.09 -2.42 0.45 0.00 -1.71 0.00 0.00 66.02 62.26 1nh5 s SER 52 CO 0.03 0.02 1.34 -0.90 1.20 0.00 0.00 173.24 174.93 1nh5 n ASP 53 N 0.67 2.30 -2.32 5.45 3.85 -1.26 -0.67 116.55 124.56 1nh5 n ASP 53 Ca -0.02 -3.69 -0.16 0.00 -0.71 0.00 0.00 54.79 50.20 1nh5 n ASP 53 Cb 0.51 -0.57 0.03 0.00 -1.35 0.00 0.00 41.12 39.74 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 -1.11 3.78 -3.51 -1.12 3.41 -1.26 -4.98 113.62 108.83 1nh5 n SER 54 Ca 0.25 -3.18 -0.18 0.00 -0.26 0.00 0.00 58.87 55.50 1nh5 n SER 54 Cb 0.86 -0.40 0.07 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 -0.64 -2.02 -3.23 7.33 0.00 -1.26 -3.34 120.51 117.35 1nh5 n ALA 55 Ca 0.31 -0.09 -0.06 0.00 0.00 0.00 0.00 53.44 53.60 1nh5 n ALA 55 Cb 0.90 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 18.06 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 -4.17 -8.59 0.23 0.00 -1.04 -1.26 -4.89 114.28 94.55 1nh5 n THR 56 Ca -0.29 -0.17 0.12 0.00 -2.04 0.00 0.00 64.05 61.67 1nh5 n THR 56 Cb 0.67 -6.01 0.13 0.00 -1.82 0.00 0.00 70.33 63.30 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 0.32 0.00 -3.55 8.00 7.08 -1.82 -3.39 115.58 122.22 1nh5 h ASN 57 Ca -0.15 -0.01 -0.52 0.00 -3.08 0.00 0.00 56.30 52.54 1nh5 h ASN 57 Cb 1.09 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.33 1nh5 h ASN 57 CO 0.31 0.01 0.42 -0.63 -2.08 0.00 0.00 177.43 175.46 1nh5 s ILE 58 N -3.25 4.20 -1.55 6.14 1.09 -1.26 -1.00 121.20 125.57 1nh5 s ILE 58 Ca 0.05 1.85 -0.05 0.00 -1.10 0.00 0.00 60.65 61.39 1nh5 s ILE 58 Cb 0.08 -4.18 0.05 0.00 -1.06 0.00 0.00 42.46 37.34 1nh5 s ILE 58 CO 0.71 0.30 0.37 0.00 -0.10 0.00 0.00 174.94 176.22