#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 3.74 0.00 -5.58 1.01 -1.26 -0.39 116.67 114.19 1nh5 s ASP 2 Ca 0.00 -0.75 0.00 0.00 0.71 0.00 0.00 52.55 52.51 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 0.12 0.00 0.61 0.21 0.00 0.00 175.17 176.11 1nh5 n GLY 3 N 0.21 -0.31 3.39 0.21 0.00 -0.12 -4.73 105.19 103.85 1nh5 n GLY 3 Ca -0.12 -1.19 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 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 -3.09 3.23 0.22 1.61 2.02 0.24 -0.21 117.35 121.37 1nh5 s TYR 4 Ca 0.00 -0.86 -0.30 0.00 -0.37 0.00 0.00 57.07 55.54 1nh5 s TYR 4 Cb 0.00 -2.42 -0.09 0.00 -0.40 0.00 0.00 41.96 39.05 1nh5 s TYR 4 CO 0.00 -0.60 1.10 -1.25 -1.57 0.00 0.00 175.55 173.23 1nh5 s PRO 5 N 1.57 4.62 -0.03 -1.71 0.04 -1.26 -0.51 135.00 137.71 1nh5 s PRO 5 Ca 0.03 1.75 0.02 0.00 0.04 0.00 0.00 61.00 62.84 1nh5 s PRO 5 Cb -0.19 -3.24 0.01 0.00 0.04 0.00 0.00 34.50 31.12 1nh5 s PRO 5 CO 0.07 0.14 -0.08 0.14 0.04 0.00 0.00 177.00 177.31 1nh5 s VAL 6 N -0.65 0.71 0.00 -0.36 -7.23 -0.39 -4.57 120.40 107.91 1nh5 s VAL 6 Ca 0.47 -0.30 0.00 0.00 -1.81 0.00 0.00 61.98 60.34 1nh5 s VAL 6 Cb -0.30 -0.66 0.00 0.00 0.56 0.00 0.00 36.38 35.98 1nh5 s VAL 6 CO 0.37 0.24 0.00 -0.90 -0.31 0.00 0.00 175.10 174.50 1nh5 n ASP 7 N 3.47 0.00 0.07 4.85 5.75 -1.26 -4.50 116.55 124.93 1nh5 n ASP 7 Ca -0.20 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.46 1nh5 n ASP 7 Cb 0.54 0.06 -0.13 0.00 -1.03 0.00 0.00 41.12 40.55 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 0.22 1.32 -1.12 4.64 -2.01 -3.19 113.55 113.40 1nh5 h SER 8 Ca 0.00 -0.26 -0.07 0.00 -0.47 0.00 0.00 61.79 60.99 1nh5 h SER 8 Cb 0.00 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1nh5 h SER 8 CO 0.00 1.21 -0.35 0.07 -0.87 0.00 0.00 176.83 176.89 1nh5 h LYS 9 N 0.04 0.00 0.00 4.77 2.10 -1.93 -3.48 116.57 118.07 1nh5 h LYS 9 Ca -0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 1nh5 h LYS 9 Cb 1.91 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.24 1nh5 h LYS 9 CO 0.15 0.35 0.00 0.41 -2.00 0.00 0.00 179.45 178.36 1nh5 n GLY 10 N 0.78 2.16 2.81 0.07 0.00 -1.21 -4.74 105.19 105.07 1nh5 n GLY 10 Ca 0.01 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 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 3.27 -1.27 -3.49 0.00 4.01 -1.26 -4.77 118.16 114.65 1nh5 n LYS 12 Ca 0.08 0.90 -0.27 0.00 -0.51 0.00 0.00 58.31 58.51 1nh5 n LYS 12 Cb 0.34 -1.52 -0.13 0.00 -0.51 0.00 0.00 35.03 33.20 1nh5 n LYS 12 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1nh5 s LEU 13 N -5.16 0.59 -0.62 -0.35 2.96 -1.26 -4.91 118.68 109.92 1nh5 s LEU 13 Ca 0.00 -1.56 -0.27 0.00 -0.22 0.00 0.00 54.13 52.08 1nh5 s LEU 13 Cb 0.00 -0.25 -0.02 0.00 0.50 0.00 0.00 46.19 46.43 1nh5 s LEU 13 CO 0.00 -0.38 1.81 -0.44 -1.32 0.00 0.00 176.35 176.02 1nh5 s SER 14 N 1.74 5.35 0.38 3.68 0.01 -1.26 -0.43 113.70 123.16 1nh5 s SER 14 Ca 0.12 0.26 -0.25 0.00 1.31 0.00 0.00 55.95 57.40 1nh5 s SER 14 Cb -0.18 -2.53 -0.09 0.00 0.21 0.00 0.00 66.02 63.43 1nh5 s SER 14 CO -0.22 -2.33 1.06 0.00 0.41 0.00 0.00 173.24 172.16 1nh5 n VAL 16 N 0.14 0.00 -3.57 0.00 0.24 -1.26 -4.92 118.33 108.96 1nh5 n VAL 16 Ca 0.04 -0.33 -0.06 0.00 -2.04 0.00 0.00 64.34 61.95 1nh5 n VAL 16 Cb 0.49 1.04 -0.02 0.00 -1.47 0.00 0.00 33.84 33.88 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 -1.63 -1.93 0.08 2.33 0.00 -1.26 -5.02 121.76 114.33 1nh5 s ALA 17 Ca 0.05 1.13 -0.14 0.00 0.00 0.00 0.00 51.96 53.01 1nh5 s ALA 17 Cb 0.07 0.23 -0.20 0.00 0.00 0.00 0.00 23.12 23.23 1nh5 s ALA 17 CO 0.32 -0.71 1.24 -0.91 0.00 0.00 0.00 175.76 175.69 1nh5 h ASN 18 N 2.00 0.92 -0.35 0.00 2.35 -1.95 -1.55 115.58 117.01 1nh5 h ASN 18 Ca -0.18 -0.69 -0.08 0.00 -0.55 0.00 0.00 56.30 54.80 1nh5 h ASN 18 Cb 1.21 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 39.28 1nh5 h ASN 18 CO 0.27 1.48 -0.06 -0.55 -1.65 0.00 0.00 177.43 176.92 1nh5 h ASN 19 N 0.45 0.73 -0.49 5.81 -1.07 -1.97 0.22 115.58 119.26 1nh5 h ASN 19 Ca -0.09 -0.20 -0.09 0.00 0.07 0.00 0.00 56.30 55.99 1nh5 h ASN 19 Cb 1.55 -0.20 -0.02 0.00 -2.07 0.00 0.00 38.32 37.59 1nh5 h ASN 19 CO 0.18 0.84 -0.03 0.22 0.07 0.00 0.00 177.43 178.72 1nh5 h TYR 20 N 0.69 1.01 0.32 4.14 5.03 -1.92 -2.06 116.97 124.19 1nh5 h TYR 20 Ca 0.13 -0.17 -0.02 0.00 2.58 0.00 0.00 58.73 61.25 1nh5 h TYR 20 Cb 0.52 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.53 1nh5 h TYR 20 CO 0.03 0.92 -0.16 0.00 -1.32 0.00 0.00 178.16 177.63 1nh5 h ASP 22 N -0.78 0.16 0.20 0.00 -0.00 -0.38 0.31 116.42 115.93 1nh5 h ASP 22 Ca -0.04 -0.11 -0.06 0.00 -0.00 0.00 0.00 57.03 56.82 1nh5 h ASP 22 Cb 0.51 -0.04 -0.01 0.00 -0.00 0.00 0.00 39.33 39.79 1nh5 h ASP 22 CO 0.07 0.23 -0.25 -0.55 -0.00 0.00 0.00 179.24 178.74 1nh5 h ASN 23 N 0.09 0.08 0.83 2.28 7.08 -1.54 -0.79 115.58 123.61 1nh5 h ASN 23 Ca 0.04 -0.02 -0.24 0.00 -3.08 0.00 0.00 56.30 53.01 1nh5 h ASN 23 Cb 0.10 -0.02 -0.02 0.00 -2.08 0.00 0.00 38.32 36.30 1nh5 h ASN 23 CO -0.01 0.33 -1.14 -0.61 -2.08 0.00 0.00 177.43 173.93 1nh5 h GLN 24 N 0.08 0.10 -0.03 4.14 4.15 -1.12 -2.52 115.11 119.89 1nh5 h GLN 24 Ca 0.01 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.25 1nh5 h GLN 24 Cb 0.48 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.23 1nh5 h GLN 24 CO 0.03 1.05 -0.05 0.00 -1.93 0.00 0.00 178.83 177.94 1nh5 n LYS 26 N -4.76 0.13 -0.26 0.00 2.85 -0.34 -0.28 118.16 115.50 1nh5 n LYS 26 Ca -0.08 0.26 0.19 0.00 -1.05 0.00 0.00 58.31 57.64 1nh5 n LYS 26 Cb 0.30 -1.71 0.50 0.00 -0.65 0.00 0.00 35.03 33.47 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 0.42 0.00 -1.58 4.05 -1.43 -3.43 114.93 112.97 1nh5 h MET 27 Ca 0.00 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1nh5 h MET 27 Cb 0.45 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.15 1nh5 h MET 27 CO 0.00 0.28 0.00 0.36 0.23 0.00 0.00 176.91 177.78 1nh5 n LYS 28 N -4.54 0.00 -0.10 0.39 2.85 -1.16 -4.99 118.16 110.61 1nh5 n LYS 28 Ca 0.20 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.41 1nh5 n LYS 28 Cb 0.72 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 35.11 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 0.13 0.00 -1.58 1.79 -1.62 -3.46 116.57 111.83 1nh5 h LYS 29 Ca 0.00 -0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.37 1nh5 h LYS 29 Cb 0.00 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.60 1nh5 h LYS 29 CO 0.00 0.09 -0.08 0.00 -1.08 0.00 0.00 179.45 178.37 1nh5 n ALA 30 N -2.46 0.13 -0.04 3.86 0.00 0.62 -4.42 120.51 118.19 1nh5 n ALA 30 Ca 0.01 -0.36 -0.08 0.00 0.00 0.00 0.00 53.44 53.02 1nh5 n ALA 30 Cb 0.17 0.28 -0.14 0.00 0.00 0.00 0.00 19.45 19.76 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 -2.66 0.53 -1.00 0.00 3.41 -0.29 -4.16 113.62 109.45 1nh5 n SER 31 Ca 0.01 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1nh5 n SER 31 Cb 0.11 0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 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 1.60 1.81 3.60 5.00 0.00 -0.36 -4.55 105.19 112.29 1nh5 n GLY 32 Ca -0.22 -0.99 0.01 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.23 -0.39 0.11 -0.02 0.00 -1.26 0.18 107.32 104.72 1nh5 s GLY 33 Ca 0.00 1.10 -0.00 0.00 0.00 0.00 0.00 44.72 45.82 1nh5 s GLY 33 CO 0.00 0.28 0.02 0.30 0.00 0.00 0.00 173.10 173.70 1nh5 s HIS 34 N -2.25 0.82 -0.45 1.90 3.76 -0.26 -3.99 115.29 114.83 1nh5 s HIS 34 Ca 0.13 -1.14 -0.20 0.00 -0.15 0.00 0.00 55.06 53.70 1nh5 s HIS 34 Cb 0.04 -0.49 0.03 0.00 1.11 0.00 0.00 32.58 33.27 1nh5 s HIS 34 CO -0.05 -0.42 0.64 0.00 -0.85 0.00 0.00 174.74 174.06 1nh5 s TYR 36 N 2.79 3.36 0.48 0.00 5.04 -0.67 -4.91 117.35 123.44 1nh5 s TYR 36 Ca 0.21 -0.04 0.17 0.00 -2.44 0.00 0.00 57.07 54.97 1nh5 s TYR 36 Cb -0.15 -1.53 1.18 0.00 0.35 0.00 0.00 41.96 41.81 1nh5 s TYR 36 CO 0.18 0.46 2.05 0.00 -1.34 0.00 0.00 175.55 176.90 1nh5 h ALA 37 N 1.27 2.10 -0.10 3.97 0.00 -1.97 -0.84 119.26 123.69 1nh5 h ALA 37 Ca -0.51 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.25 1nh5 h ALA 37 Cb 1.23 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.99 1nh5 h ALA 37 CO 0.61 -0.18 -0.47 0.52 0.00 0.00 0.00 179.25 179.72 1nh5 h MET 38 N 0.20 0.49 0.00 0.00 2.86 -1.97 -3.49 114.93 113.02 1nh5 h MET 38 Ca 0.17 -0.40 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1nh5 h MET 38 Cb 0.42 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1nh5 h MET 38 CO -0.03 1.03 0.00 0.43 1.06 0.00 0.00 176.91 179.40 1nh5 n SER 39 N -4.26 0.00 -4.58 1.22 7.64 -0.32 -4.72 113.62 108.60 1nh5 n SER 39 Ca -0.08 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.40 1nh5 n SER 39 Cb 0.58 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.75 1nh5 n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nh5 s TYR 41 N 10.03 2.29 0.33 0.00 5.04 0.38 -4.53 117.35 130.90 1nh5 s TYR 41 Ca 1.00 -0.15 -0.11 0.00 -2.44 0.00 0.00 57.07 55.37 1nh5 s TYR 41 Cb -0.26 -4.61 -0.07 0.00 0.35 0.00 0.00 41.96 37.37 1nh5 s TYR 41 CO 0.31 -2.06 0.69 0.00 -1.34 0.00 0.00 175.55 173.15 1nh5 s GLU 43 N -3.39 0.53 0.00 0.00 2.02 0.13 -0.94 118.70 117.04 1nh5 s GLU 43 Ca 0.50 0.10 0.00 0.00 0.02 0.00 0.00 54.97 55.59 1nh5 s GLU 43 Cb -0.10 -0.84 0.00 0.00 0.10 0.00 0.00 34.13 33.29 1nh5 s GLU 43 CO 0.26 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.70 1nh5 n GLY 44 N 4.85 0.82 3.92 -1.39 0.00 -1.13 -1.14 105.19 111.12 1nh5 n GLY 44 Ca -0.12 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.08 4.02 0.62 0.99 1.02 0.48 -2.38 118.68 121.36 1nh5 s LEU 45 Ca 0.00 0.57 -0.14 0.00 0.02 0.00 0.00 54.13 54.58 1nh5 s LEU 45 Cb 0.00 -3.42 -0.02 0.00 0.02 0.00 0.00 46.19 42.77 1nh5 s LEU 45 CO 0.00 -0.25 1.05 -2.16 0.02 0.00 0.00 176.35 175.01 1nh5 s PRO 46 N -3.97 3.24 0.52 1.29 0.04 -1.26 -1.16 135.00 133.70 1nh5 s PRO 46 Ca 0.42 1.10 0.33 0.00 0.04 0.00 0.00 61.00 62.88 1nh5 s PRO 46 Cb -0.10 -2.03 1.37 0.00 0.04 0.00 0.00 34.50 33.78 1nh5 s PRO 46 CO 0.34 -0.86 1.97 1.05 0.04 0.00 0.00 177.00 179.53 1nh5 h GLU 47 N 0.08 0.00 0.00 4.56 4.11 -1.99 -1.70 114.58 119.64 1nh5 h GLU 47 Ca -0.46 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.95 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 0.58 0.00 -0.10 -2.95 0.07 0.00 0.00 179.01 176.61 1nh5 h ASN 48 N 0.00 0.00 -3.22 3.06 -1.07 -2.03 -3.43 115.58 108.89 1nh5 h ASN 48 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 56.30 55.80 1nh5 h ASN 48 Cb 0.47 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.66 1nh5 h ASN 48 CO 0.00 0.10 0.59 0.00 0.07 0.00 0.00 177.43 178.19 1nh5 s ALA 49 N -3.40 3.52 -0.14 4.14 0.00 -0.64 -4.98 121.76 120.25 1nh5 s ALA 49 Ca 0.04 0.23 -0.29 0.00 0.00 0.00 0.00 51.96 51.93 1nh5 s ALA 49 Cb 0.07 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 1nh5 s ALA 49 CO 0.63 -0.75 1.15 0.21 0.00 0.00 0.00 175.76 177.00 1nh5 s LYS 50 N 2.41 4.30 0.28 0.00 2.47 -1.26 -4.94 119.74 122.99 1nh5 s LYS 50 Ca 0.44 1.55 0.08 0.00 -1.56 0.00 0.00 55.97 56.49 1nh5 s LYS 50 Cb -0.17 -3.65 -0.06 0.00 -1.46 0.00 0.00 37.83 32.50 1nh5 s LYS 50 CO 0.13 -0.56 -0.11 0.14 0.16 0.00 0.00 175.35 175.11 1nh5 s VAL 51 N 2.88 1.92 -0.07 4.02 -7.23 -1.26 -1.26 120.40 119.39 1nh5 s VAL 51 Ca 0.51 -2.21 -0.10 0.00 -1.81 0.00 0.00 61.98 58.37 1nh5 s VAL 51 Cb -0.20 -2.37 -0.05 0.00 0.56 0.00 0.00 36.38 34.32 1nh5 s VAL 51 CO 0.15 -0.36 0.25 -0.55 -0.31 0.00 0.00 175.10 174.27 1nh5 s SER 52 N -3.46 6.56 -0.28 4.85 0.15 0.33 -4.88 113.70 116.97 1nh5 s SER 52 Ca 0.29 0.66 0.21 0.00 0.70 0.00 0.00 55.95 57.81 1nh5 s SER 52 Cb 0.01 -2.14 0.49 0.00 -1.71 0.00 0.00 66.02 62.66 1nh5 s SER 52 CO 0.12 0.37 1.21 -0.90 1.20 0.00 0.00 173.24 175.24 1nh5 n ASP 53 N 1.94 0.88 -2.72 5.45 5.75 -1.26 -0.59 116.55 126.00 1nh5 n ASP 53 Ca -0.18 -2.07 -0.04 0.00 -0.01 0.00 0.00 54.79 52.49 1nh5 n ASP 53 Cb 0.54 -0.22 0.08 0.00 -1.03 0.00 0.00 41.12 40.50 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 -0.81 -0.05 -3.48 -1.12 3.41 -1.26 -5.00 113.62 105.30 1nh5 n SER 54 Ca 0.01 -2.34 -0.20 0.00 -0.26 0.00 0.00 58.87 56.09 1nh5 n SER 54 Cb 0.82 0.16 0.06 0.00 -0.26 0.00 0.00 64.21 64.99 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 -2.68 7.33 0.00 -1.26 -4.19 120.51 116.70 1nh5 n ALA 55 Ca -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 1nh5 n ALA 55 Cb 0.84 -3.82 0.00 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 -3.86-11.05 -0.85 0.00 -1.04 -1.26 -4.92 114.28 91.30 1nh5 n THR 56 Ca -0.18 1.40 0.08 0.00 -2.04 0.00 0.00 64.05 63.31 1nh5 n THR 56 Cb 0.64 -6.87 0.33 0.00 -1.82 0.00 0.00 70.33 62.61 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 0.29 4.74 -1.48 8.00 0.23 -1.26 -4.97 115.26 120.81 1nh5 n ASN 57 Ca 0.04 -2.84 0.00 0.00 -0.53 0.00 0.00 54.58 51.26 1nh5 n ASN 57 Cb 0.16 -0.59 0.00 0.00 -2.08 0.00 0.00 39.78 37.27 1nh5 n ASN 57 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1nh5 n ILE 58 N 0.27 0.00 -0.34 1.53 5.41 -1.26 -5.04 119.36 119.93 1nh5 n ILE 58 Ca 0.24 0.00 0.04 0.00 1.00 0.00 0.00 62.75 64.03 1nh5 n ILE 58 Cb 0.99 0.00 0.19 0.00 -0.71 0.00 0.00 39.64 40.11 1nh5 n ILE 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55