#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 0.03 0.00 3.14 1.11 -1.26 -0.99 116.67 118.69 1nh5 s ASP 2 Ca 0.00 -0.16 0.00 0.00 0.18 0.00 0.00 52.55 52.57 1nh5 s ASP 2 Cb 0.00 0.20 0.00 0.00 1.07 0.00 0.00 42.92 44.19 1nh5 s ASP 2 CO 0.00 -0.30 0.00 0.61 1.18 0.00 0.00 175.17 176.66 1nh5 n GLY 3 N 1.77 0.08 3.28 0.21 0.00 -0.15 -4.75 105.19 105.63 1nh5 n GLY 3 Ca -0.21 -1.11 -0.38 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 -4.00 3.24 0.70 1.61 2.02 0.03 0.07 117.35 121.02 1nh5 s TYR 4 Ca 0.00 -1.37 -0.11 0.00 -0.37 0.00 0.00 57.07 55.22 1nh5 s TYR 4 Cb 0.00 -2.27 0.01 0.00 -0.40 0.00 0.00 41.96 39.30 1nh5 s TYR 4 CO 0.00 -0.71 1.06 -1.25 -1.57 0.00 0.00 175.55 173.08 1nh5 s PRO 5 N 1.41 2.87 -0.05 -1.71 0.04 -1.26 -0.62 135.00 135.68 1nh5 s PRO 5 Ca -0.01 0.92 -0.02 0.00 0.04 0.00 0.00 61.00 61.93 1nh5 s PRO 5 Cb -0.19 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.40 1nh5 s PRO 5 CO 0.03 -1.14 0.09 0.54 0.04 0.00 0.00 177.00 176.55 1nh5 s VAL 6 N -3.06 -0.11 0.00 -0.36 0.11 -1.25 -3.76 120.40 111.97 1nh5 s VAL 6 Ca 0.58 0.31 0.00 0.00 -2.93 0.00 0.00 61.98 59.94 1nh5 s VAL 6 Cb -0.14 -0.18 0.00 0.00 -1.53 0.00 0.00 36.38 34.53 1nh5 s VAL 6 CO 0.55 0.13 0.00 -0.90 -3.33 0.00 0.00 175.10 171.55 1nh5 n ASP 7 N 4.77 0.00 0.00 3.54 5.75 -1.25 -4.92 116.55 124.44 1nh5 n ASP 7 Ca -0.15 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.45 1nh5 n ASP 7 Cb 0.50 0.06 -0.10 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 0.68 0.00 -1.12 4.64 -1.94 -3.13 113.55 112.67 1nh5 h SER 8 Ca 0.00 -0.72 0.00 0.00 -0.47 0.00 0.00 61.79 60.60 1nh5 h SER 8 Cb 0.00 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.89 1nh5 h SER 8 CO 0.00 1.30 0.00 2.29 -0.87 0.00 0.00 176.83 179.55 1nh5 n LYS 9 N -4.11 2.58 0.00 4.77 0.00 -1.26 -5.04 118.16 115.10 1nh5 n LYS 9 Ca -0.10 -1.39 0.00 0.00 -0.00 0.00 0.00 58.31 56.82 1nh5 n LYS 9 Cb 0.72 -1.00 0.00 0.00 -0.00 0.00 0.00 35.03 34.75 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 -0.45 2.24 2.96 2.58 0.00 -1.19 -4.73 105.19 106.62 1nh5 n GLY 10 Ca 0.00 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 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 4.16 -1.40 0.00 0.00 4.76 -1.25 -4.48 118.16 119.95 1nh5 n LYS 12 Ca 0.39 1.07 0.12 0.00 -2.87 0.00 0.00 58.31 57.02 1nh5 n LYS 12 Cb 0.37 -1.66 0.29 0.00 -1.84 0.00 0.00 35.03 32.19 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 -3.25 0.82 0.00 -0.35 4.77 -1.26 -4.73 117.00 113.00 1nh5 n LEU 13 Ca -0.02 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1nh5 n LEU 13 Cb 0.30 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1nh5 n LEU 13 CO 0.01 0.17 0.00 -0.24 -1.33 0.00 0.00 177.39 176.00 1nh5 n SER 14 N -1.04 0.00 -1.24 -1.43 2.88 -1.26 -4.78 113.62 106.74 1nh5 n SER 14 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1nh5 n SER 14 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 1nh5 n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nh5 n VAL 16 N -0.33 0.65 -3.53 0.00 0.24 -1.26 -4.85 118.33 109.25 1nh5 n VAL 16 Ca 0.00 -0.74 -0.08 0.00 -2.04 0.00 0.00 64.34 61.47 1nh5 n VAL 16 Cb 0.00 0.43 -0.03 0.00 -1.47 0.00 0.00 33.84 32.77 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 -0.90 -1.88 0.23 2.33 0.00 -1.26 -5.04 121.76 115.25 1nh5 s ALA 17 Ca 0.08 1.21 -0.07 0.00 0.00 0.00 0.00 51.96 53.17 1nh5 s ALA 17 Cb 0.07 0.12 0.26 0.00 0.00 0.00 0.00 23.12 23.57 1nh5 s ALA 17 CO 0.01 -0.60 1.87 -0.91 0.00 0.00 0.00 175.76 176.13 1nh5 h ASN 18 N 2.12 0.86 1.37 0.00 4.21 -1.98 -0.32 115.58 121.84 1nh5 h ASN 18 Ca -0.20 -0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.21 1nh5 h ASN 18 Cb 1.22 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 38.21 1nh5 h ASN 18 CO 0.30 0.59 -0.65 -0.55 -1.29 0.00 0.00 177.43 175.83 1nh5 h ASN 19 N 1.01 0.00 -0.61 5.81 7.08 -1.97 -3.31 115.58 123.60 1nh5 h ASN 19 Ca 0.34 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.56 1nh5 h ASN 19 Cb 0.04 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.25 1nh5 h ASN 19 CO -0.13 0.43 0.38 0.22 -2.08 0.00 0.00 177.43 176.25 1nh5 h TYR 20 N 0.00 0.80 0.10 4.14 5.03 -1.45 0.94 116.97 126.51 1nh5 h TYR 20 Ca -0.03 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.28 1nh5 h TYR 20 Cb 1.35 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 39.37 1nh5 h TYR 20 CO 0.00 0.53 -0.05 0.00 -1.32 0.00 0.00 178.16 177.32 1nh5 h ASP 22 N -0.36 0.37 0.41 0.00 3.58 -0.98 0.43 116.42 119.87 1nh5 h ASP 22 Ca -0.01 -0.20 -0.07 0.00 0.42 0.00 0.00 57.03 57.16 1nh5 h ASP 22 Cb 0.30 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1nh5 h ASP 22 CO 0.02 0.47 -0.36 -0.55 -2.88 0.00 0.00 179.24 175.95 1nh5 h ASN 23 N 0.25 0.00 0.82 2.28 -1.07 -1.65 0.79 115.58 117.00 1nh5 h ASN 23 Ca 0.08 0.00 -0.24 0.00 0.07 0.00 0.00 56.30 56.21 1nh5 h ASN 23 Cb 0.23 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.46 1nh5 h ASN 23 CO -0.00 0.36 -1.16 -0.61 0.07 0.00 0.00 177.43 176.08 1nh5 h GLN 24 N 0.00 0.09 -0.01 4.14 4.15 -1.10 -2.49 115.11 119.88 1nh5 h GLN 24 Ca -0.00 -0.15 -0.04 0.00 0.77 0.00 0.00 58.65 59.23 1nh5 h GLN 24 Cb 0.66 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.40 1nh5 h GLN 24 CO 0.05 1.02 -0.13 0.00 -1.93 0.00 0.00 178.83 177.83 1nh5 n LYS 26 N -4.62 0.19 -0.30 0.00 2.85 0.23 -0.08 118.16 116.44 1nh5 n LYS 26 Ca -0.09 0.03 0.14 0.00 -1.05 0.00 0.00 58.31 57.34 1nh5 n LYS 26 Cb 0.42 -1.50 0.31 0.00 -0.65 0.00 0.00 35.03 33.62 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 0.29 0.00 -1.58 4.05 -1.49 -3.43 114.93 112.77 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 0.36 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.09 1nh5 h MET 27 CO 0.00 0.19 0.00 0.36 0.23 0.00 0.00 176.91 177.69 1nh5 n LYS 28 N -5.13 0.00 -0.08 0.39 2.85 -1.18 -4.98 118.16 110.03 1nh5 n LYS 28 Ca 0.23 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.42 1nh5 n LYS 28 Cb 0.70 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 35.07 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 0.04 -5.05 -1.58 1.79 -1.73 -3.46 116.57 106.58 1nh5 h LYS 29 Ca 0.00 -0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 1nh5 h LYS 29 Cb 0.00 -0.01 -0.13 0.00 -1.58 0.00 0.00 32.23 30.51 1nh5 h LYS 29 CO 0.00 0.03 -0.52 0.00 -1.08 0.00 0.00 179.45 177.87 1nh5 s ALA 30 N -6.20 2.87 -0.02 3.86 0.00 0.89 -4.28 121.76 118.88 1nh5 s ALA 30 Ca -0.13 -1.31 0.05 0.00 0.00 0.00 0.00 51.96 50.57 1nh5 s ALA 30 Cb 0.12 0.74 -0.24 0.00 0.00 0.00 0.00 23.12 23.74 1nh5 s ALA 30 CO 0.70 -0.33 0.77 0.77 0.00 0.00 0.00 175.76 177.66 1nh5 h SER 31 N 1.82 0.16 -1.25 0.00 0.02 -0.21 -3.38 113.55 110.71 1nh5 h SER 31 Ca -0.36 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 60.32 1nh5 h SER 31 Cb 1.27 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.76 1nh5 h SER 31 CO 0.58 1.24 0.00 0.61 -1.14 0.00 0.00 176.83 178.12 1nh5 n GLY 32 N 1.61 2.38 3.64 -3.77 0.00 0.24 -4.71 105.19 104.58 1nh5 n GLY 32 Ca -0.16 -1.15 -0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.05 -0.37 -0.00 -0.02 0.00 -1.26 -0.39 107.32 104.22 1nh5 s GLY 33 Ca 0.00 0.70 -0.02 0.00 0.00 0.00 0.00 44.72 45.40 1nh5 s GLY 33 CO 0.00 0.15 0.04 -1.58 0.00 0.00 0.00 173.10 171.72 1nh5 s HIS 34 N -2.59 0.06 -1.16 1.90 5.65 0.35 -4.20 115.29 115.30 1nh5 s HIS 34 Ca 0.13 -0.11 -0.19 0.00 0.25 0.00 0.00 55.06 55.14 1nh5 s HIS 34 Cb 0.03 -0.06 0.09 0.00 -1.18 0.00 0.00 32.58 31.46 1nh5 s HIS 34 CO -0.03 -0.13 1.53 0.00 -0.65 0.00 0.00 174.74 175.46 1nh5 s TYR 36 N 3.80 3.05 0.44 0.00 5.04 -1.16 -4.90 117.35 123.61 1nh5 s TYR 36 Ca 0.47 1.57 0.11 0.00 -2.44 0.00 0.00 57.07 56.77 1nh5 s TYR 36 Cb 0.01 -3.03 0.99 0.00 0.35 0.00 0.00 41.96 40.28 1nh5 s TYR 36 CO -0.01 -0.77 2.06 0.00 -1.34 0.00 0.00 175.55 175.49 1nh5 h ALA 37 N 1.43 1.85 0.12 3.97 0.00 -1.94 -1.70 119.26 122.99 1nh5 h ALA 37 Ca -0.49 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.11 1nh5 h ALA 37 Cb 1.21 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1nh5 h ALA 37 CO 0.59 0.11 -1.37 1.98 0.00 0.00 0.00 179.25 180.56 1nh5 h MET 38 N 0.41 0.26 -1.39 0.00 -1.53 -1.91 -3.49 114.93 107.27 1nh5 h MET 38 Ca 0.15 -0.45 0.32 0.00 -3.44 0.00 0.00 59.70 56.28 1nh5 h MET 38 Cb 0.09 0.17 -0.14 0.00 -0.55 0.00 0.00 31.60 31.18 1nh5 h MET 38 CO -0.03 1.17 0.85 -1.12 0.14 0.00 0.00 176.91 177.92 1nh5 s SER 39 N -7.07 -0.06 -0.40 1.39 0.01 -0.64 -4.95 113.70 101.98 1nh5 s SER 39 Ca -0.06 -0.10 -0.28 0.00 1.31 0.00 0.00 55.95 56.83 1nh5 s SER 39 Cb 0.07 0.14 -0.03 0.00 0.21 0.00 0.00 66.02 66.41 1nh5 s SER 39 CO 0.87 -0.25 1.94 0.00 0.41 0.00 0.00 173.24 176.21 1nh5 s TYR 41 N 8.19 2.74 0.35 0.00 5.04 -0.39 -4.38 117.35 128.89 1nh5 s TYR 41 Ca 0.82 -0.76 -0.15 0.00 -2.44 0.00 0.00 57.07 54.53 1nh5 s TYR 41 Cb -0.21 -4.37 -0.09 0.00 0.35 0.00 0.00 41.96 37.64 1nh5 s TYR 41 CO 0.30 -1.68 0.77 0.00 -1.34 0.00 0.00 175.55 173.59 1nh5 s GLU 43 N -3.14 0.81 -0.23 0.00 2.02 0.48 -0.98 118.70 117.66 1nh5 s GLU 43 Ca 0.55 -0.10 -0.01 0.00 0.02 0.00 0.00 54.97 55.43 1nh5 s GLU 43 Cb -0.10 -0.82 -0.01 0.00 0.10 0.00 0.00 34.13 33.30 1nh5 s GLU 43 CO 0.19 -0.08 0.21 0.41 0.02 0.00 0.00 175.26 176.01 1nh5 n GLY 44 N 4.02 0.01 3.95 -1.39 0.00 -1.02 -0.59 105.19 110.17 1nh5 n GLY 44 Ca -0.25 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.14 4.01 0.56 0.99 1.02 -0.17 -0.52 118.68 121.44 1nh5 s LEU 45 Ca 0.07 0.29 -0.17 0.00 0.02 0.00 0.00 54.13 54.34 1nh5 s LEU 45 Cb -0.01 -3.15 -0.05 0.00 0.02 0.00 0.00 46.19 43.00 1nh5 s LEU 45 CO 0.18 -0.33 1.05 -2.16 0.02 0.00 0.00 176.35 175.11 1nh5 s PRO 46 N -4.28 3.48 0.47 1.29 0.04 -1.26 -4.58 135.00 130.16 1nh5 s PRO 46 Ca 0.41 1.20 0.31 0.00 0.04 0.00 0.00 61.00 62.96 1nh5 s PRO 46 Cb -0.10 -2.06 1.24 0.00 0.04 0.00 0.00 34.50 33.63 1nh5 s PRO 46 CO 0.35 -0.68 1.90 1.05 0.04 0.00 0.00 177.00 179.66 1nh5 h GLU 47 N 0.70 0.00 0.00 4.56 4.11 -1.98 -1.33 114.58 120.64 1nh5 h GLU 47 Ca -0.47 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 58.88 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 0.00 -0.37 -2.95 0.07 0.00 0.00 179.01 176.34 1nh5 h ASN 48 N 0.00 0.00 -2.36 3.06 -1.07 -2.01 -3.38 115.58 109.82 1nh5 h ASN 48 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 56.30 55.75 1nh5 h ASN 48 Cb 0.49 0.00 -0.13 0.00 -2.07 0.00 0.00 38.32 36.61 1nh5 h ASN 48 CO 0.00 0.37 0.83 0.00 0.07 0.00 0.00 177.43 178.70 1nh5 s ALA 49 N -3.76 3.03 0.23 4.14 0.00 -0.50 -4.99 121.76 119.90 1nh5 s ALA 49 Ca -0.01 -1.95 -0.30 0.00 0.00 0.00 0.00 51.96 49.70 1nh5 s ALA 49 Cb 0.12 -4.06 -0.10 0.00 0.00 0.00 0.00 23.12 19.07 1nh5 s ALA 49 CO 0.69 -3.03 1.51 0.21 0.00 0.00 0.00 175.76 175.14 1nh5 s LYS 50 N 4.32 4.22 0.07 0.00 2.36 -1.26 -4.86 119.74 124.59 1nh5 s LYS 50 Ca 0.30 2.38 0.05 0.00 -2.55 0.00 0.00 55.97 56.15 1nh5 s LYS 50 Cb -0.11 -3.11 -0.03 0.00 -1.05 0.00 0.00 37.83 33.54 1nh5 s LYS 50 CO 0.05 -0.52 -0.15 0.14 1.55 0.00 0.00 175.35 176.43 1nh5 s VAL 51 N 0.35 1.16 0.22 4.02 -7.23 -1.26 -3.85 120.40 113.81 1nh5 s VAL 51 Ca 0.63 -1.29 -0.28 0.00 -1.81 0.00 0.00 61.98 59.23 1nh5 s VAL 51 Cb -0.44 -1.10 -0.09 0.00 0.56 0.00 0.00 36.38 35.31 1nh5 s VAL 51 CO 0.40 -0.18 0.89 -0.55 -0.31 0.00 0.00 175.10 175.35 1nh5 s SER 52 N -1.68 7.56 -0.24 4.85 0.15 0.21 -4.80 113.70 119.75 1nh5 s SER 52 Ca -0.01 1.85 0.10 0.00 0.70 0.00 0.00 55.95 58.60 1nh5 s SER 52 Cb -0.10 -2.58 0.44 0.00 -1.71 0.00 0.00 66.02 62.08 1nh5 s SER 52 CO 0.02 0.17 1.20 -0.90 1.20 0.00 0.00 173.24 174.93 1nh5 n ASP 53 N 1.48 3.04 -2.22 5.45 3.85 -1.26 -0.79 116.55 126.09 1nh5 n ASP 53 Ca -0.03 -3.72 -0.16 0.00 -0.71 0.00 0.00 54.79 50.17 1nh5 n ASP 53 Cb 0.48 -0.44 0.03 0.00 -1.35 0.00 0.00 41.12 39.84 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 -0.88 3.84 -3.61 -1.12 3.41 -1.26 -4.96 113.62 109.05 1nh5 n SER 54 Ca 0.29 -3.23 -0.21 0.00 -0.26 0.00 0.00 58.87 55.46 1nh5 n SER 54 Cb 0.83 -0.38 0.05 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.68 -2.10 -3.35 7.33 0.00 -1.26 -3.06 120.51 117.39 1nh5 n ALA 55 Ca 0.32 -0.13 -0.13 0.00 0.00 0.00 0.00 53.44 53.51 1nh5 n ALA 55 Cb 0.92 -2.52 0.02 0.00 0.00 0.00 0.00 19.45 17.86 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 -4.15 -7.84 0.04 0.00 -1.04 -1.26 -4.88 114.28 95.15 1nh5 n THR 56 Ca -0.26 -0.49 -0.04 0.00 -2.04 0.00 0.00 64.05 61.22 1nh5 n THR 56 Cb 0.67 -5.58 0.19 0.00 -1.82 0.00 0.00 70.33 63.79 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 -0.36 0.42 -3.39 8.00 -1.07 -1.83 -3.16 115.58 114.19 1nh5 h ASN 57 Ca -0.34 -0.16 -0.55 0.00 0.07 0.00 0.00 56.30 55.32 1nh5 h ASN 57 Cb 1.19 -0.12 -0.03 0.00 -2.07 0.00 0.00 38.32 37.30 1nh5 h ASN 57 CO 0.37 0.74 0.32 -0.63 0.07 0.00 0.00 177.43 178.30 1nh5 s ILE 58 N -4.30 4.90 -1.27 6.14 1.01 -1.26 -2.13 121.20 124.30 1nh5 s ILE 58 Ca -0.06 1.92 -0.21 0.00 0.00 0.00 0.00 60.65 62.30 1nh5 s ILE 58 Cb 0.13 -4.25 0.02 0.00 0.01 0.00 0.00 42.46 38.36 1nh5 s ILE 58 CO 0.79 0.17 0.58 0.00 0.00 0.00 0.00 174.94 176.48