#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 -0.50 116.67 119.18 1nh5 s ASP 2 Ca 0.00 -0.23 0.00 0.00 0.18 0.00 0.00 52.55 52.50 1nh5 s ASP 2 Cb 0.00 0.22 0.00 0.00 1.07 0.00 0.00 42.92 44.21 1nh5 s ASP 2 CO 0.00 -0.41 0.00 0.61 1.18 0.00 0.00 175.17 176.55 1nh5 n GLY 3 N 1.28 -0.59 3.58 0.21 0.00 -0.53 -4.82 105.19 104.32 1nh5 n GLY 3 Ca -0.22 -1.16 -0.39 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.00 3.23 0.18 1.61 2.02 0.49 0.11 117.35 121.98 1nh5 s TYR 4 Ca 0.00 0.13 -0.30 0.00 -0.37 0.00 0.00 57.07 56.53 1nh5 s TYR 4 Cb 0.00 -2.51 -0.08 0.00 -0.40 0.00 0.00 41.96 38.98 1nh5 s TYR 4 CO 0.00 -0.26 1.12 -1.25 -1.57 0.00 0.00 175.55 173.59 1nh5 s PRO 5 N 1.89 4.57 -0.01 -1.71 0.04 -1.26 -0.88 135.00 137.64 1nh5 s PRO 5 Ca 0.10 1.75 -0.02 0.00 0.04 0.00 0.00 61.00 62.87 1nh5 s PRO 5 Cb -0.16 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1nh5 s PRO 5 CO 0.11 0.04 0.04 0.14 0.04 0.00 0.00 177.00 177.36 1nh5 s VAL 6 N -0.18 0.02 0.00 -0.36 -7.23 -0.88 -4.67 120.40 107.10 1nh5 s VAL 6 Ca 0.50 -0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.52 1nh5 s VAL 6 Cb -0.30 -0.11 0.00 0.00 0.56 0.00 0.00 36.38 36.53 1nh5 s VAL 6 CO 0.35 -0.08 0.00 -0.90 -0.31 0.00 0.00 175.10 174.16 1nh5 n ASP 7 N 2.80 0.00 0.01 4.85 5.75 -1.26 -4.29 116.55 124.41 1nh5 n ASP 7 Ca -0.14 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.53 1nh5 n ASP 7 Cb 0.59 0.21 -0.14 0.00 -1.03 0.00 0.00 41.12 40.75 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 0.10 1.04 -1.12 4.64 -2.00 -3.32 113.55 112.90 1nh5 h SER 8 Ca 0.00 -0.18 -0.07 0.00 -0.47 0.00 0.00 61.79 61.07 1nh5 h SER 8 Cb 0.00 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1nh5 h SER 8 CO 0.00 1.15 -0.34 0.07 -0.87 0.00 0.00 176.83 176.84 1nh5 h LYS 9 N 0.02 0.00 0.00 4.77 2.10 -1.93 -3.47 116.57 118.06 1nh5 h LYS 9 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 1nh5 h LYS 9 Cb 1.97 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.30 1nh5 h LYS 9 CO 0.10 0.34 0.00 0.41 -2.00 0.00 0.00 179.45 178.30 1nh5 n GLY 10 N 0.45 2.32 2.78 0.07 0.00 -1.25 -4.49 105.19 105.07 1nh5 n GLY 10 Ca 0.00 0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 1.29 -1.51 -4.20 0.00 3.00 -1.26 -4.40 118.16 111.08 1nh5 n LYS 12 Ca 0.27 1.03 -0.32 0.00 -0.00 0.00 0.00 58.31 59.29 1nh5 n LYS 12 Cb 0.37 -1.83 -0.16 0.00 0.00 0.00 0.00 35.03 33.41 1nh5 n LYS 12 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1nh5 s LEU 13 N -4.98 1.96 -1.21 3.14 2.34 -1.26 -4.87 118.68 113.80 1nh5 s LEU 13 Ca 0.00 -0.57 -0.21 0.00 0.06 0.00 0.00 54.13 53.41 1nh5 s LEU 13 Cb 0.00 -1.35 0.00 0.00 -0.56 0.00 0.00 46.19 44.28 1nh5 s LEU 13 CO 0.00 -0.00 1.80 -0.44 -1.06 0.00 0.00 176.35 176.64 1nh5 s SER 14 N 1.25 6.03 0.47 1.48 0.01 -1.26 -3.55 113.70 118.13 1nh5 s SER 14 Ca 0.02 -1.96 -0.24 0.00 1.31 0.00 0.00 55.95 55.08 1nh5 s SER 14 Cb -0.13 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.44 1nh5 s SER 14 CO -0.10 -2.01 1.40 0.00 0.41 0.00 0.00 173.24 172.95 1nh5 n VAL 16 N -0.39 0.00 -3.55 0.00 3.14 -1.26 -4.70 118.33 111.57 1nh5 n VAL 16 Ca 0.06 -0.13 -0.08 0.00 -2.96 0.00 0.00 64.34 61.24 1nh5 n VAL 16 Cb 0.43 0.88 -0.02 0.00 -1.06 0.00 0.00 33.84 34.07 1nh5 n VAL 16 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1nh5 s ALA 17 N -2.74 -1.74 0.08 1.55 0.00 -1.26 -5.03 121.76 112.62 1nh5 s ALA 17 Ca 0.05 0.73 -0.15 0.00 0.00 0.00 0.00 51.96 52.59 1nh5 s ALA 17 Cb 0.13 0.54 -0.13 0.00 0.00 0.00 0.00 23.12 23.66 1nh5 s ALA 17 CO 0.73 -0.78 1.33 -0.91 0.00 0.00 0.00 175.76 176.13 1nh5 h ASN 18 N 2.00 0.74 -0.28 0.00 2.35 -1.93 -1.11 115.58 117.35 1nh5 h ASN 18 Ca -0.24 -0.56 -0.04 0.00 -0.55 0.00 0.00 56.30 54.91 1nh5 h ASN 18 Cb 1.25 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.39 1nh5 h ASN 18 CO 0.31 1.17 0.06 -0.55 -1.65 0.00 0.00 177.43 176.76 1nh5 h ASN 19 N 0.35 0.51 0.23 5.81 7.08 -1.97 0.19 115.58 127.77 1nh5 h ASN 19 Ca -0.00 -0.08 -0.16 0.00 -3.08 0.00 0.00 56.30 52.98 1nh5 h ASN 19 Cb 1.06 -0.13 -0.01 0.00 -2.08 0.00 0.00 38.32 37.16 1nh5 h ASN 19 CO 0.10 0.54 -0.63 0.22 -2.08 0.00 0.00 177.43 175.58 1nh5 h TYR 20 N 0.54 0.51 0.10 4.14 5.03 -1.88 -2.39 116.97 123.01 1nh5 h TYR 20 Ca 0.12 -0.20 -0.00 0.00 2.58 0.00 0.00 58.73 61.23 1nh5 h TYR 20 Cb 0.26 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.45 1nh5 h TYR 20 CO 0.01 0.92 -0.05 0.00 -1.32 0.00 0.00 178.16 177.72 1nh5 h ASP 22 N -0.43 -0.03 0.44 0.00 3.58 -0.31 0.37 116.42 120.04 1nh5 h ASP 22 Ca -0.01 0.04 -0.10 0.00 0.42 0.00 0.00 57.03 57.37 1nh5 h ASP 22 Cb 0.36 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 1nh5 h ASP 22 CO 0.02 0.01 -0.46 -0.55 -2.88 0.00 0.00 179.24 175.38 1nh5 h ASN 23 N 0.10 0.03 1.65 2.28 -1.07 -1.59 -2.45 115.58 114.53 1nh5 h ASN 23 Ca 0.09 -0.01 -0.07 0.00 0.07 0.00 0.00 56.30 56.38 1nh5 h ASN 23 Cb 0.10 -0.01 -0.01 0.00 -2.07 0.00 0.00 38.32 36.33 1nh5 h ASN 23 CO -0.14 0.49 -0.35 -0.61 0.07 0.00 0.00 177.43 176.89 1nh5 h GLN 24 N 0.03 0.00 0.18 4.14 4.15 -0.80 0.14 115.11 122.95 1nh5 h GLN 24 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1nh5 h GLN 24 Cb 0.83 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.52 1nh5 h GLN 24 CO 0.06 0.33 -0.09 0.00 -1.93 0.00 0.00 178.83 177.21 1nh5 n LYS 26 N -4.98 0.29 -0.34 0.00 2.85 -0.95 -0.33 118.16 114.69 1nh5 n LYS 26 Ca -0.08 -0.03 0.25 0.00 -1.05 0.00 0.00 58.31 57.39 1nh5 n LYS 26 Cb 0.26 -1.50 0.53 0.00 -0.65 0.00 0.00 35.03 33.67 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 0.08 0.34 0.00 -1.58 4.05 -1.03 -3.42 114.93 113.36 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 0.38 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 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 -4.65 0.00 -0.05 0.39 4.81 -0.94 -5.04 118.16 112.67 1nh5 n LYS 28 Ca 0.27 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.61 1nh5 n LYS 28 Cb 0.96 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.92 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 -0.02 0.00 1.64 1.57 -0.93 -3.49 116.57 115.34 1nh5 h LYS 29 Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 1nh5 h LYS 29 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1nh5 h LYS 29 CO 0.00 0.64 -0.16 0.00 -0.57 0.00 0.00 179.45 179.36 1nh5 n ALA 30 N -2.64 0.17 0.03 3.86 0.00 -0.79 -4.42 120.51 116.71 1nh5 n ALA 30 Ca -0.07 -0.75 -0.09 0.00 0.00 0.00 0.00 53.44 52.53 1nh5 n ALA 30 Cb 0.32 0.45 -0.13 0.00 0.00 0.00 0.00 19.45 20.09 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 0.48 0.05 0.00 0.00 0.02 -0.99 -3.35 113.55 109.76 1nh5 h SER 31 Ca -0.13 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1nh5 h SER 31 Cb 0.43 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1nh5 h SER 31 CO 0.21 1.06 0.00 0.61 -1.14 0.00 0.00 176.83 177.57 1nh5 n GLY 32 N 1.48 -0.72 0.00 -3.77 0.00 -1.16 -4.67 105.19 96.34 1nh5 n GLY 32 Ca -0.09 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 0.69 3.21 -0.02 0.00 -1.26 -0.23 105.19 107.58 1nh5 n GLY 33 Ca 0.00 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.80 0.87 -0.52 1.61 3.76 -0.42 -3.71 115.29 114.08 1nh5 s HIS 34 Ca 0.00 -1.20 -0.13 0.00 -0.15 0.00 0.00 55.06 53.59 1nh5 s HIS 34 Cb 0.00 -0.42 0.13 0.00 1.11 0.00 0.00 32.58 33.40 1nh5 s HIS 34 CO 0.00 -0.60 0.44 0.00 -0.85 0.00 0.00 174.74 173.73 1nh5 s TYR 36 N 1.42 2.58 -1.07 0.00 6.14 0.43 -4.70 117.35 122.14 1nh5 s TYR 36 Ca 0.05 -0.61 -0.20 0.00 0.64 0.00 0.00 57.07 56.95 1nh5 s TYR 36 Cb -0.27 -1.66 0.01 0.00 0.42 0.00 0.00 41.96 40.46 1nh5 s TYR 36 CO 0.01 -0.15 0.71 0.00 0.64 0.00 0.00 175.55 176.76 1nh5 n ALA 37 N 2.97 -2.63 -3.50 3.97 0.00 -1.26 -0.08 120.51 119.98 1nh5 n ALA 37 Ca -0.18 -0.35 -0.19 0.00 0.00 0.00 0.00 53.44 52.73 1nh5 n ALA 37 Cb 0.52 -2.73 -0.06 0.00 0.00 0.00 0.00 19.45 17.19 1nh5 n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nh5 n MET 38 N -3.98 -0.95 -3.71 0.00 0.00 -1.26 -4.88 117.12 102.34 1nh5 n MET 38 Ca -0.14 0.06 -0.11 0.00 0.00 0.00 0.00 57.70 57.50 1nh5 n MET 38 Cb 0.60 -2.14 -0.10 0.00 0.00 0.00 0.00 33.22 31.57 1nh5 n MET 38 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1nh5 s SER 39 N -3.59 -0.50 -0.74 3.17 0.01 0.89 -4.52 113.70 108.41 1nh5 s SER 39 Ca 0.06 0.89 -0.26 0.00 1.31 0.00 0.00 55.95 57.96 1nh5 s SER 39 Cb -0.04 0.82 -0.02 0.00 0.21 0.00 0.00 66.02 67.00 1nh5 s SER 39 CO 0.58 -0.18 1.78 0.00 0.41 0.00 0.00 173.24 175.83 1nh5 s TYR 41 N 8.63 2.18 0.28 0.00 5.04 0.15 -4.34 117.35 129.28 1nh5 s TYR 41 Ca 0.62 -0.09 -0.15 0.00 -2.44 0.00 0.00 57.07 55.01 1nh5 s TYR 41 Cb -0.09 -4.43 -0.08 0.00 0.35 0.00 0.00 41.96 37.70 1nh5 s TYR 41 CO 0.11 -1.95 0.70 0.00 -1.34 0.00 0.00 175.55 173.07 1nh5 s GLU 43 N -2.71 3.09 -0.04 0.00 2.02 0.68 -1.45 118.70 120.30 1nh5 s GLU 43 Ca 0.50 -0.85 -0.00 0.00 0.02 0.00 0.00 54.97 54.64 1nh5 s GLU 43 Cb -0.12 -2.35 -0.00 0.00 0.10 0.00 0.00 34.13 31.76 1nh5 s GLU 43 CO 0.19 0.17 0.03 0.41 0.02 0.00 0.00 175.26 176.08 1nh5 n GLY 44 N 3.56 0.74 3.89 -1.39 0.00 -0.21 -0.69 105.19 111.08 1nh5 n GLY 44 Ca -0.19 -0.31 -0.29 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 -2.83 3.84 0.54 0.99 1.43 0.34 -3.71 118.68 119.28 1nh5 s LEU 45 Ca 0.01 0.99 -0.18 0.00 -1.03 0.00 0.00 54.13 53.92 1nh5 s LEU 45 Cb -0.00 -3.87 -0.06 0.00 0.03 0.00 0.00 46.19 42.28 1nh5 s LEU 45 CO 0.02 -0.39 1.04 -2.16 0.23 0.00 0.00 176.35 175.09 1nh5 s PRO 46 N -3.99 3.60 0.42 1.29 0.04 -1.26 -4.67 135.00 130.44 1nh5 s PRO 46 Ca 0.49 1.26 0.27 0.00 0.04 0.00 0.00 61.00 63.06 1nh5 s PRO 46 Cb -0.10 -2.07 0.80 0.00 0.04 0.00 0.00 34.50 33.17 1nh5 s PRO 46 CO 0.34 -0.59 1.76 1.05 0.04 0.00 0.00 177.00 179.61 1nh5 h GLU 47 N 1.02 0.00 0.00 4.56 4.11 -1.99 -2.59 114.58 119.68 1nh5 h GLU 47 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 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 -0.32 0.27 0.07 0.00 0.00 179.01 179.62 1nh5 n ASN 48 N -2.89 0.32 -4.77 3.06 6.94 -1.26 -4.83 115.26 111.83 1nh5 n ASN 48 Ca 0.03 0.03 -0.39 0.00 -0.02 0.00 0.00 54.58 54.22 1nh5 n ASN 48 Cb 0.41 -0.03 -0.06 0.00 -2.36 0.00 0.00 39.78 37.75 1nh5 n ASN 48 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1nh5 s ALA 49 N -3.00 3.44 -0.06 -2.53 0.00 -0.98 -5.04 121.76 113.59 1nh5 s ALA 49 Ca 0.12 0.38 -0.27 0.00 0.00 0.00 0.00 51.96 52.19 1nh5 s ALA 49 Cb 0.18 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.29 1nh5 s ALA 49 CO 0.64 0.27 0.88 0.21 0.00 0.00 0.00 175.76 177.76 1nh5 s LYS 50 N -1.09 4.46 0.11 0.00 2.36 -1.26 -4.97 119.74 119.36 1nh5 s LYS 50 Ca 0.36 1.20 0.03 0.00 -2.55 0.00 0.00 55.97 55.02 1nh5 s LYS 50 Cb -0.23 -3.49 -0.04 0.00 -1.05 0.00 0.00 37.83 33.02 1nh5 s LYS 50 CO 0.27 -0.10 -0.09 0.14 1.55 0.00 0.00 175.35 177.11 1nh5 s VAL 51 N 1.28 0.96 0.09 4.02 -7.23 -1.26 -2.07 120.40 116.19 1nh5 s VAL 51 Ca 0.45 -1.86 0.06 0.00 -1.81 0.00 0.00 61.98 58.82 1nh5 s VAL 51 Cb -0.19 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 1nh5 s VAL 51 CO 0.21 -0.71 -0.07 -0.55 -0.31 0.00 0.00 175.10 173.67 1nh5 s SER 52 N -2.85 4.57 -0.32 4.85 0.15 -0.06 -4.93 113.70 115.12 1nh5 s SER 52 Ca 0.11 -0.32 0.18 0.00 0.70 0.00 0.00 55.95 56.63 1nh5 s SER 52 Cb 0.01 -0.95 0.46 0.00 -1.71 0.00 0.00 66.02 63.84 1nh5 s SER 52 CO -0.01 0.19 1.00 -0.90 1.20 0.00 0.00 173.24 174.72 1nh5 n ASP 53 N 0.74 1.24 -1.57 5.45 5.75 -1.26 -0.38 116.55 126.52 1nh5 n ASP 53 Ca -0.13 -2.60 -0.01 0.00 -0.01 0.00 0.00 54.79 52.04 1nh5 n ASP 53 Cb 0.52 -0.42 0.08 0.00 -1.03 0.00 0.00 41.12 40.27 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 -0.18 2.02 -3.62 -1.12 3.41 -1.26 -4.96 113.62 107.91 1nh5 n SER 54 Ca 0.08 -2.90 -0.20 0.00 -0.26 0.00 0.00 58.87 55.58 1nh5 n SER 54 Cb 0.82 -0.41 0.05 0.00 -0.26 0.00 0.00 64.21 64.40 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 -0.42 -2.06 -3.06 7.33 0.00 -1.26 -3.77 120.51 117.27 1nh5 n ALA 55 Ca 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 1nh5 n ALA 55 Cb 0.91 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 -4.19-10.16 0.16 0.00 -1.04 -1.26 -4.91 114.28 92.89 1nh5 n THR 56 Ca -0.28 -0.16 0.12 0.00 -2.04 0.00 0.00 64.05 61.69 1nh5 n THR 56 Cb 0.67 -6.91 0.09 0.00 -1.82 0.00 0.00 70.33 62.36 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 0.56 0.00 -3.57 8.00 7.08 -2.01 -3.47 115.58 122.18 1nh5 h ASN 57 Ca -0.01 0.00 -0.50 0.00 -3.08 0.00 0.00 56.30 52.72 1nh5 h ASN 57 Cb 1.01 0.00 0.02 0.00 -2.08 0.00 0.00 38.32 37.26 1nh5 h ASN 57 CO 0.29 0.00 0.08 -0.63 -2.08 0.00 0.00 177.43 175.10 1nh5 s ILE 58 N -3.28 4.88 0.16 6.14 1.01 -1.26 -4.96 121.20 123.88 1nh5 s ILE 58 Ca 0.03 0.33 -0.26 0.00 0.00 0.00 0.00 60.65 60.76 1nh5 s ILE 58 Cb 0.07 -3.80 -0.00 0.00 0.01 0.00 0.00 42.46 38.74 1nh5 s ILE 58 CO 0.73 -0.67 1.40 0.00 0.00 0.00 0.00 174.94 176.40