#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hi2 s LYS 2 N 0.00 3.98 0.20 3.17 0.00 -1.26 -1.59 119.74 124.25 3hi2 s LYS 2 Ca 0.00 0.75 -0.31 0.00 0.00 0.00 0.00 55.97 56.41 3hi2 s LYS 2 Cb 0.00 -2.33 -0.10 0.00 0.00 0.00 0.00 37.83 35.40 3hi2 s LYS 2 CO 0.00 0.01 1.55 0.00 0.00 0.00 0.00 175.35 176.91 3hi2 h PRO 4 N 6.12 0.00 0.00 0.00 0.11 -1.95 -1.03 132.00 135.25 3hi2 h PRO 4 Ca -0.44 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.48 3hi2 h PRO 4 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 3hi2 h PRO 4 CO 0.87 0.12 -1.29 0.28 -0.21 0.00 0.00 178.00 177.78 3hi2 n VAL 5 N -4.15 1.50 0.88 3.15 0.31 -1.26 -4.54 118.33 114.22 3hi2 n VAL 5 Ca -0.02 -0.01 0.11 0.00 -0.01 0.00 0.00 64.34 64.40 3hi2 n VAL 5 Cb 0.20 -2.13 0.06 0.00 -0.91 0.00 0.00 33.84 31.05 3hi2 n VAL 5 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hi2 n HIS 7 N -1.62 0.00 -0.02 0.00 -0.00 -0.39 -4.74 115.22 108.46 3hi2 n HIS 7 Ca 0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.72 3hi2 n HIS 7 Cb 0.36 -1.84 -0.01 0.00 -0.00 0.00 0.00 29.99 28.49 3hi2 n HIS 7 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 3hi2 n GLN 8 N 0.60 0.24 -2.68 -0.41 1.13 -1.26 -4.76 117.38 110.25 3hi2 n GLN 8 Ca 0.00 0.10 -0.36 0.00 -1.94 0.00 0.00 57.00 54.79 3hi2 n GLN 8 Cb 0.44 -0.93 -0.05 0.00 0.11 0.00 0.00 30.24 29.81 3hi2 n GLN 8 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3hi2 s GLY 9 N -4.44 2.72 0.50 1.08 0.00 -1.26 -4.81 107.32 101.11 3hi2 s GLY 9 Ca -0.13 0.59 -0.20 0.00 0.00 0.00 0.00 44.72 44.98 3hi2 s GLY 9 CO 0.20 1.01 1.06 1.85 0.00 0.00 0.00 173.10 177.21 3hi2 s GLU 10 N -2.39 3.69 -0.02 2.90 2.56 -1.26 -0.79 118.70 123.39 3hi2 s GLU 10 Ca 0.55 1.41 -0.16 0.00 0.00 0.00 0.00 54.97 56.77 3hi2 s GLU 10 Cb -0.19 -2.07 -0.05 0.00 2.00 0.00 0.00 34.13 33.81 3hi2 s GLU 10 CO 0.24 -0.53 0.45 -1.64 -0.56 0.00 0.00 175.26 173.22 3hi2 s MET 11 N -3.27 4.09 -0.04 4.30 -1.94 -0.62 -2.26 119.30 119.57 3hi2 s MET 11 Ca 0.68 0.47 0.02 0.00 -1.71 0.00 0.00 55.69 55.16 3hi2 s MET 11 Cb -0.18 -3.29 0.01 0.00 2.01 0.00 0.00 34.83 33.38 3hi2 s MET 11 CO 0.22 0.52 -0.09 0.08 -0.01 0.00 0.00 175.02 175.74 3hi2 s VAL 12 N -0.57 0.86 0.54 -6.03 1.01 0.04 -4.59 120.40 111.65 3hi2 s VAL 12 Ca 0.25 -0.37 -0.22 0.00 0.00 0.00 0.00 61.98 61.65 3hi2 s VAL 12 Cb -0.17 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 3hi2 s VAL 12 CO 0.13 0.28 1.29 -1.20 0.00 0.00 0.00 175.10 175.60 3hi2 n SER 13 N 3.54 2.38 0.00 3.32 7.64 -1.26 -1.05 113.62 128.18 3hi2 n SER 13 Ca -0.21 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.64 3hi2 n SER 13 Cb 0.53 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 3hi2 n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hi2 n GLY 14 N 0.85 -0.88 2.89 0.23 0.00 -0.06 -4.85 105.19 103.36 3hi2 n GLY 14 Ca 0.10 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 3hi2 n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hi2 s ILE 15 N -2.00 1.23 0.02 -0.61 -1.09 -1.26 -1.83 121.20 115.66 3hi2 s ILE 15 Ca 0.00 -0.96 0.06 0.00 -2.23 0.00 0.00 60.65 57.52 3hi2 s ILE 15 Cb 0.00 -1.53 -0.02 0.00 -1.58 0.00 0.00 42.46 39.33 3hi2 s ILE 15 CO 0.00 -0.07 -0.17 -0.54 -1.23 0.00 0.00 174.94 172.92 3hi2 s LYS 16 N 1.54 1.25 -0.19 2.79 3.01 -0.83 -4.84 119.74 122.48 3hi2 s LYS 16 Ca -0.03 -0.76 -0.27 0.00 -1.01 0.00 0.00 55.97 53.89 3hi2 s LYS 16 Cb -0.18 -1.28 -0.00 0.00 -1.01 0.00 0.00 37.83 35.36 3hi2 s LYS 16 CO -0.07 0.33 0.94 -0.51 0.51 0.00 0.00 175.35 176.55 3hi2 s ASP 17 N -0.87 7.05 -0.32 2.83 1.11 -1.26 -2.13 116.67 123.08 3hi2 s ASP 17 Ca 0.05 1.30 -0.05 0.00 0.18 0.00 0.00 52.55 54.03 3hi2 s ASP 17 Cb -0.08 -2.50 0.03 0.00 1.07 0.00 0.00 42.92 41.45 3hi2 s ASP 17 CO 0.01 -0.51 0.07 -0.63 1.18 0.00 0.00 175.17 175.28 3hi2 s ILE 18 N 2.56 3.62 0.51 0.77 1.01 0.17 -4.91 121.20 124.93 3hi2 s ILE 18 Ca 0.42 -1.07 -0.23 0.00 0.00 0.00 0.00 60.65 59.77 3hi2 s ILE 18 Cb -0.16 -3.00 -0.06 0.00 0.01 0.00 0.00 42.46 39.25 3hi2 s ILE 18 CO 0.11 -0.08 1.40 -2.65 0.00 0.00 0.00 174.94 173.72 3hi2 n PRO 19 N 4.78 1.94 0.00 2.79 -0.02 -1.26 -0.66 135.00 142.57 3hi2 n PRO 19 Ca -0.13 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3hi2 n PRO 19 Cb 0.45 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 3hi2 n PRO 19 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 3hi2 n TYR 20 N -0.70 -0.29 -1.18 6.00 9.36 -1.26 -4.86 117.16 124.22 3hi2 n TYR 20 Ca 0.08 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.38 3hi2 n TYR 20 Cb 0.43 0.32 -0.02 0.00 -0.63 0.00 0.00 39.34 39.45 3hi2 n TYR 20 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 3hi2 n THR 27 N -2.14 0.00 -3.86 2.97 5.66 -1.26 -5.01 114.28 110.63 3hi2 n THR 27 Ca 0.00 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.82 3hi2 n THR 27 Cb 0.00 -0.19 -0.17 0.00 -1.55 0.00 0.00 70.33 68.43 3hi2 n THR 27 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3hi2 s VAL 28 N -1.21 0.15 -0.31 1.08 1.01 -1.26 -5.06 120.40 114.80 3hi2 s VAL 28 Ca 0.00 0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.94 3hi2 s VAL 28 Cb 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 36.09 3hi2 s VAL 28 CO 0.00 0.16 0.56 -0.76 0.00 0.00 0.00 175.10 175.06 3hi2 s LEU 29 N 1.31 4.17 0.24 3.92 1.43 0.16 -4.90 118.68 125.01 3hi2 s LEU 29 Ca -0.06 0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 53.33 3hi2 s LEU 29 Cb -0.13 -2.70 -0.05 0.00 0.03 0.00 0.00 46.19 43.34 3hi2 s LEU 29 CO -0.02 -0.42 0.46 -0.54 0.23 0.00 0.00 176.35 176.05 3hi2 s LYS 30 N 2.46 3.58 -1.08 1.70 3.01 -1.26 0.42 119.74 128.57 3hi2 s LYS 30 Ca 0.22 -0.17 -0.06 0.00 -1.01 0.00 0.00 55.97 54.96 3hi2 s LYS 30 Cb -0.15 -2.75 0.01 0.00 -1.01 0.00 0.00 37.83 33.92 3hi2 s LYS 30 CO 0.12 0.32 0.74 0.41 0.51 0.00 0.00 175.35 177.45 3hi2 n GLY 31 N -0.73 -0.20 3.62 -3.33 0.00 -1.24 -4.95 105.19 98.36 3hi2 n GLY 31 Ca -0.03 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3hi2 n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hi2 s ILE 32 N -3.16 4.87 0.06 -0.61 -1.09 -0.91 -4.83 121.20 115.52 3hi2 s ILE 32 Ca 0.37 1.14 -0.26 0.00 -2.23 0.00 0.00 60.65 59.66 3hi2 s ILE 32 Cb -0.16 -4.07 -0.05 0.00 -1.58 0.00 0.00 42.46 36.60 3hi2 s ILE 32 CO 0.46 -0.15 0.83 -1.00 -1.23 0.00 0.00 174.94 173.84 3hi2 s HIS 33 N 2.77 3.75 -0.00 3.97 3.76 -1.26 -1.96 115.29 126.31 3hi2 s HIS 33 Ca 0.30 1.56 -0.18 0.00 -0.15 0.00 0.00 55.06 56.59 3hi2 s HIS 33 Cb -0.15 -2.90 0.06 0.00 1.11 0.00 0.00 32.58 30.71 3hi2 s HIS 33 CO 0.11 0.23 0.83 0.41 -0.85 0.00 0.00 174.74 175.47 3hi2 n GLY 34 N 2.41 0.40 3.54 -2.22 0.00 -0.76 -4.81 105.19 103.75 3hi2 n GLY 34 Ca -0.01 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 3hi2 n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hi2 s LEU 35 N 0.00 4.43 -0.18 0.99 1.43 -0.32 -0.88 118.68 124.15 3hi2 s LEU 35 Ca 0.19 -0.16 -0.08 0.00 -1.03 0.00 0.00 54.13 53.06 3hi2 s LEU 35 Cb -0.01 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 3hi2 s LEU 35 CO -0.00 -0.50 0.06 -0.31 0.23 0.00 0.00 176.35 175.84 3hi2 s TYR 36 N 2.34 3.26 0.34 0.29 2.02 -0.22 -0.73 117.35 124.66 3hi2 s TYR 36 Ca 0.17 0.08 -0.29 0.00 -0.37 0.00 0.00 57.07 56.66 3hi2 s TYR 36 Cb -0.16 -2.08 -0.11 0.00 -0.40 0.00 0.00 41.96 39.21 3hi2 s TYR 36 CO 0.14 0.15 1.50 0.00 -1.57 0.00 0.00 175.55 175.77 3hi2 n VAL 38 N 1.09 0.00 -0.03 0.00 0.24 -0.96 -4.32 118.33 114.35 3hi2 n VAL 38 Ca 0.03 -0.01 -0.04 0.00 -2.04 0.00 0.00 64.34 62.28 3hi2 n VAL 38 Cb 0.39 -0.36 -0.04 0.00 -1.47 0.00 0.00 33.84 32.36 3hi2 n VAL 38 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3hi2 n HIS 39 N -1.29 0.00 -4.44 6.34 -0.00 -1.26 -5.03 115.22 109.53 3hi2 n HIS 39 Ca 0.12 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.64 3hi2 n HIS 39 Cb 0.28 -0.28 -0.05 0.00 -0.00 0.00 0.00 29.99 29.95 3hi2 n HIS 39 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hi2 n GLU 41 N -0.76 2.18 -1.97 0.00 1.02 -1.26 -4.46 120.64 115.40 3hi2 n GLU 41 Ca -0.10 -1.80 -0.34 0.00 -0.02 0.00 0.00 57.16 54.90 3hi2 n GLU 41 Cb 0.43 -1.44 0.03 0.00 -0.02 0.00 0.00 31.44 30.43 3hi2 n GLU 41 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3hi2 s GLU 42 N -1.51 2.99 0.08 3.49 2.56 -1.26 -4.89 118.70 120.16 3hi2 s GLU 42 Ca 0.36 1.56 0.01 0.00 0.00 0.00 0.00 54.97 56.90 3hi2 s GLU 42 Cb 0.20 -1.96 -0.04 0.00 2.00 0.00 0.00 34.13 34.33 3hi2 s GLU 42 CO 0.27 -1.13 -0.06 -1.54 -0.56 0.00 0.00 175.26 172.24 3hi2 s SER 43 N -2.09 0.96 -0.10 -1.70 1.04 -1.26 -1.87 113.70 108.68 3hi2 s SER 43 Ca 0.71 -0.90 0.01 0.00 0.48 0.00 0.00 55.95 56.25 3hi2 s SER 43 Cb -0.24 0.10 -0.02 0.00 0.10 0.00 0.00 66.02 65.96 3hi2 s SER 43 CO 0.35 -0.43 -0.11 -0.63 0.98 0.00 0.00 173.24 173.40 3hi2 s ILE 44 N -3.16 3.27 0.06 -1.02 1.01 0.10 -4.97 121.20 116.47 3hi2 s ILE 44 Ca 0.06 -0.61 0.06 0.00 0.00 0.00 0.00 60.65 60.15 3hi2 s ILE 44 Cb 0.02 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 3hi2 s ILE 44 CO -0.04 0.55 -0.15 -0.04 0.00 0.00 0.00 174.94 175.25 3hi2 s MET 45 N -0.15 0.95 0.85 2.79 -1.94 -1.26 -1.17 119.30 119.37 3hi2 s MET 45 Ca 0.00 -0.88 -0.08 0.00 -1.71 0.00 0.00 55.69 53.02 3hi2 s MET 45 Cb -0.13 -1.00 0.18 0.00 2.01 0.00 0.00 34.83 35.89 3hi2 s MET 45 CO 0.03 0.24 1.16 0.27 -0.01 0.00 0.00 175.02 176.71 3hi2 n ASN 46 N 1.60 0.79 -0.09 3.03 0.23 -1.26 -4.80 115.26 114.75 3hi2 n ASN 46 Ca -0.19 -1.85 -0.14 0.00 -0.53 0.00 0.00 54.58 51.87 3hi2 n ASN 46 Cb 0.54 -0.83 -0.10 0.00 -2.08 0.00 0.00 39.78 37.32 3hi2 n ASN 46 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3hi2 h LYS 47 N 0.00 -0.44 -0.01 -3.83 3.11 -2.01 0.30 116.57 113.69 3hi2 h LYS 47 Ca -0.38 0.03 0.03 0.00 -2.81 0.00 0.00 60.65 57.52 3hi2 h LYS 47 Cb 1.22 0.10 -0.04 0.00 -1.00 0.00 0.00 32.23 32.50 3hi2 h LYS 47 CO 0.34 -0.29 -0.25 1.49 -2.81 0.00 0.00 179.45 177.92 3hi2 h GLU 48 N -0.45 -0.37 -0.32 1.90 4.81 -2.00 -1.24 114.58 116.90 3hi2 h GLU 48 Ca 0.06 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3hi2 h GLU 48 Cb 0.61 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 3hi2 h GLU 48 CO -0.53 -0.25 0.12 0.93 -0.73 0.00 0.00 179.01 178.56 3hi2 h GLU 49 N -0.38 0.26 -0.33 1.92 5.08 -1.82 -1.83 114.58 117.48 3hi2 h GLU 49 Ca 0.06 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3hi2 h GLU 49 Cb 0.47 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 3hi2 h GLU 49 CO -0.23 0.18 0.02 0.77 -1.00 0.00 0.00 179.01 178.75 3hi2 h SER 50 N 0.27 -0.09 -0.25 1.42 0.02 0.04 -2.07 113.55 112.89 3hi2 h SER 50 Ca 0.14 0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.20 3hi2 h SER 50 Cb 0.10 0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.72 3hi2 h SER 50 CO -0.14 -0.01 0.00 0.44 -1.14 0.00 0.00 176.83 175.99 3hi2 h ASP 51 N 0.12 -0.09 -0.87 3.07 3.32 -0.95 -0.98 116.42 120.04 3hi2 h ASP 51 Ca 0.16 0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.33 3hi2 h ASP 51 Cb 0.20 0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.79 3hi2 h ASP 51 CO -0.25 -0.01 0.57 0.00 -1.72 0.00 0.00 179.24 177.83 3hi2 h ALA 52 N 1.21 1.58 -0.03 3.45 0.00 -1.13 -0.54 119.26 123.80 3hi2 h ALA 52 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3hi2 h ALA 52 Cb 0.15 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hi2 h ALA 52 CO -0.20 0.28 -0.02 0.35 0.00 0.00 0.00 179.25 179.66 3hi2 h PHE 53 N 0.95 0.08 -0.20 0.00 3.57 -0.99 -2.75 116.94 117.59 3hi2 h PHE 53 Ca 0.38 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.77 3hi2 h PHE 53 Cb 0.26 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3hi2 h PHE 53 CO -0.00 0.52 -0.25 0.52 -2.23 0.00 0.00 178.31 176.87 3hi2 h MET 54 N -0.39 0.37 -0.38 1.11 2.86 -0.91 -2.09 114.93 115.51 3hi2 h MET 54 Ca 0.00 -0.13 0.07 0.00 -2.06 0.00 0.00 59.70 57.58 3hi2 h MET 54 Cb 0.51 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.08 3hi2 h MET 54 CO 0.01 0.60 -0.03 0.00 1.06 0.00 0.00 176.91 178.55 3hi2 h ALA 55 N 1.40 0.31 -0.55 6.32 0.00 -1.07 -0.80 119.26 124.88 3hi2 h ALA 55 Ca 0.05 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3hi2 h ALA 55 Cb 0.63 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3hi2 h ALA 55 CO 0.05 -0.42 0.06 1.96 0.00 0.00 0.00 179.25 180.90 3hi2 h GLN 56 N 0.06 0.93 -0.43 0.00 4.20 -1.16 -0.62 115.11 118.10 3hi2 h GLN 56 Ca 0.18 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 3hi2 h GLN 56 Cb 0.27 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3hi2 h GLN 56 CO -0.34 0.91 0.15 0.28 -0.67 0.00 0.00 178.83 179.16 3hi2 h VAL 57 N 0.82 1.17 0.11 -0.54 2.07 -1.08 -2.03 116.25 116.78 3hi2 h VAL 57 Ca 0.16 -0.57 -0.28 0.00 0.82 0.00 0.00 66.70 66.83 3hi2 h VAL 57 Cb 0.45 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3hi2 h VAL 57 CO 0.02 0.22 -1.35 0.11 0.02 0.00 0.00 177.57 176.58 3hi2 h LYS 58 N 0.61 0.23 0.36 1.57 1.79 -0.98 -2.04 116.57 118.11 3hi2 h LYS 58 Ca 0.15 -0.40 -0.00 0.00 -2.18 0.00 0.00 60.65 58.22 3hi2 h LYS 58 Cb 0.17 0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.93 3hi2 h LYS 58 CO -0.01 1.14 -0.49 0.00 -1.08 0.00 0.00 179.45 179.01 3hi2 h ALA 59 N 0.59 -1.02 0.35 3.86 0.00 -0.94 -1.58 119.26 120.52 3hi2 h ALA 59 Ca -0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3hi2 h ALA 59 Cb 1.98 0.74 -0.03 0.00 0.00 0.00 0.00 17.79 20.48 3hi2 h ALA 59 CO 0.18 -1.13 -0.47 0.35 0.00 0.00 0.00 179.25 178.18 3hi2 h PHE 60 N -0.88 -1.33 -0.88 0.00 3.57 -1.42 -2.45 116.94 113.54 3hi2 h PHE 60 Ca -0.03 0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.69 3hi2 h PHE 60 Cb 0.81 0.53 -0.16 0.00 2.79 0.00 0.00 35.95 39.92 3hi2 h PHE 60 CO -0.31 -0.60 -0.08 0.00 -2.23 0.00 0.00 178.31 175.09 3hi2 h ARG 61 N -0.85 0.03 -0.38 1.11 3.08 -1.34 0.45 114.38 116.47 3hi2 h ARG 61 Ca -0.04 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 3hi2 h ARG 61 Cb 0.77 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 3hi2 h ARG 61 CO -0.12 0.02 0.08 0.00 -1.07 0.00 0.00 179.97 178.88 3hi2 h ALA 62 N 1.87 1.43 -0.14 0.04 0.00 -1.13 0.44 119.26 121.77 3hi2 h ALA 62 Ca 0.48 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 3hi2 h ALA 62 Cb 0.85 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3hi2 h ALA 62 CO -0.85 0.41 -0.37 1.03 0.00 0.00 0.00 179.25 179.48 3hi2 h SER 63 N 0.56 0.30 0.56 0.00 0.87 0.27 -3.25 113.55 112.86 3hi2 h SER 63 Ca 0.13 -0.12 -0.27 0.00 -1.23 0.00 0.00 61.79 60.30 3hi2 h SER 63 Cb 0.23 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.11 3hi2 h SER 63 CO -0.00 0.65 -1.20 0.58 -0.53 0.00 0.00 176.83 176.33 3hi2 h VAL 64 N 0.25 1.47 0.00 2.23 2.07 0.05 -3.51 116.25 118.81 3hi2 h VAL 64 Ca 0.03 -2.93 0.00 0.00 0.82 0.00 0.00 66.70 64.62 3hi2 h VAL 64 Cb 0.77 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 3hi2 h VAL 64 CO 0.06 0.86 0.00 0.59 0.02 0.00 0.00 177.57 179.10