#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hpk s PRO 20 N 0.00 4.06 0.22 7.34 0.02 -1.26 0.86 135.00 146.24 3hpk s PRO 20 Ca 0.00 2.16 0.02 0.00 0.02 0.00 0.00 61.00 63.21 3hpk s PRO 20 Cb 0.00 -2.82 -0.01 0.00 0.02 0.00 0.00 34.50 31.69 3hpk s PRO 20 CO 0.00 -0.42 0.25 0.41 -0.33 0.00 0.00 177.00 176.91 3hpk n GLY 21 N 0.69 2.92 3.64 0.52 0.00 0.84 -4.85 105.19 108.94 3hpk n GLY 21 Ca 0.03 -1.69 -0.09 0.00 0.00 0.00 0.00 46.02 44.27 3hpk n GLY 21 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hpk s LYS 22 N -2.73 0.67 -0.03 1.61 2.20 -1.26 -2.02 119.74 118.18 3hpk s LYS 22 Ca 0.23 1.00 0.02 0.00 -0.36 0.00 0.00 55.97 56.87 3hpk s LYS 22 Cb 0.00 0.22 0.01 0.00 -1.51 0.00 0.00 37.83 36.55 3hpk s LYS 22 CO 0.16 -0.11 -0.08 0.54 -0.36 0.00 0.00 175.35 175.50 3hpk s VAL 23 N 1.07 0.74 -0.23 4.02 0.11 -0.38 -5.00 120.40 120.73 3hpk s VAL 23 Ca -0.05 -0.32 -0.06 0.00 -2.93 0.00 0.00 61.98 58.61 3hpk s VAL 23 Cb -0.05 -0.67 -0.03 0.00 -1.53 0.00 0.00 36.38 34.11 3hpk s VAL 23 CO -0.12 0.24 0.04 -0.89 -3.33 0.00 0.00 175.10 171.05 3hpk s THR 24 N 0.31 4.18 0.03 5.04 2.01 -1.26 -0.54 115.64 125.40 3hpk s THR 24 Ca -0.05 -0.22 0.07 0.00 0.31 0.00 0.00 61.69 61.80 3hpk s THR 24 Cb -0.09 -2.93 -0.02 0.00 0.01 0.00 0.00 72.50 69.46 3hpk s THR 24 CO 0.01 0.38 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.35 3hpk s LEU 25 N 1.37 2.14 -0.16 4.42 1.43 0.22 -4.95 118.68 123.15 3hpk s LEU 25 Ca 0.05 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 52.49 3hpk s LEU 25 Cb -0.15 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 3hpk s LEU 25 CO 0.02 0.17 0.41 -1.58 0.23 0.00 0.00 176.35 175.60 3hpk s GLN 26 N -1.06 4.25 0.42 1.70 0.74 -1.26 -0.65 119.66 123.81 3hpk s GLN 26 Ca 0.07 0.27 -0.25 0.00 0.05 0.00 0.00 55.36 55.51 3hpk s GLN 26 Cb -0.09 -3.48 -0.08 0.00 1.10 0.00 0.00 33.01 30.47 3hpk s GLN 26 CO 0.01 0.09 1.25 0.15 -0.55 0.00 0.00 175.29 176.25 3hpk s LYS 27 N 0.88 3.92 0.34 1.67 -0.14 -1.26 -4.74 119.74 120.41 3hpk s LYS 27 Ca 0.21 2.03 -0.05 0.00 -1.36 0.00 0.00 55.97 56.80 3hpk s LYS 27 Cb -0.14 -2.67 0.08 0.00 -1.68 0.00 0.00 37.83 33.42 3hpk s LYS 27 CO 0.08 -0.49 0.47 -0.40 -0.76 0.00 0.00 175.35 174.24 3hpk n ASP 28 N -0.02 0.09 0.28 2.83 5.68 -0.21 -4.85 116.55 120.36 3hpk n ASP 28 Ca 0.05 -1.20 0.13 0.00 -0.50 0.00 0.00 54.79 53.26 3hpk n ASP 28 Cb 0.45 -0.35 0.82 0.00 -1.14 0.00 0.00 41.12 40.89 3hpk n ASP 28 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hpk h ALA 29 N -1.75 1.55 -0.00 2.12 0.00 -1.96 -0.02 119.26 119.19 3hpk h ALA 29 Ca -0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3hpk h ALA 29 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3hpk h ALA 29 CO 0.11 0.05 -0.03 1.04 0.00 0.00 0.00 179.25 180.42 3hpk n GLN 30 N -3.92 0.98 -2.53 0.00 6.02 -1.26 -4.91 117.38 111.76 3hpk n GLN 30 Ca -0.03 -0.25 -0.13 0.00 -0.01 0.00 0.00 57.00 56.58 3hpk n GLN 30 Cb 0.12 -1.49 0.01 0.00 1.02 0.00 0.00 30.24 29.90 3hpk n GLN 30 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3hpk n ASN 31 N -0.80 -4.18 -4.59 1.08 5.15 -0.02 -5.04 115.26 106.86 3hpk n ASN 31 Ca 0.19 -0.11 -0.32 0.00 -0.60 0.00 0.00 54.58 53.75 3hpk n ASN 31 Cb 0.22 -3.19 -0.10 0.00 -0.53 0.00 0.00 39.78 36.18 3hpk n ASN 31 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3hpk s LEU 32 N -3.99 3.15 -0.04 1.20 1.43 -1.26 -4.82 118.68 114.36 3hpk s LEU 32 Ca 0.11 -0.17 0.13 0.00 -1.03 0.00 0.00 54.13 53.17 3hpk s LEU 32 Cb -0.05 -1.82 -0.22 0.00 0.03 0.00 0.00 46.19 44.13 3hpk s LEU 32 CO 0.14 0.27 0.65 2.30 0.23 0.00 0.00 176.35 179.94 3hpk n ILE 33 N 1.45 1.54 0.00 -0.59 -5.35 -1.22 -1.04 119.36 114.15 3hpk n ILE 33 Ca -0.15 -0.78 0.00 0.00 -0.27 0.00 0.00 62.75 61.54 3hpk n ILE 33 Cb 0.52 -0.96 0.00 0.00 -1.74 0.00 0.00 39.64 37.46 3hpk n ILE 33 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hpk n GLY 34 N 1.54 1.82 3.20 3.28 0.00 -0.73 -0.18 105.19 114.12 3hpk n GLY 34 Ca -0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 3hpk n GLY 34 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hpk s ILE 35 N -2.00 1.17 -0.02 -0.61 -4.36 -1.03 0.22 121.20 114.57 3hpk s ILE 35 Ca 0.00 -1.56 -0.00 0.00 -0.26 0.00 0.00 60.65 58.83 3hpk s ILE 35 Cb 0.00 -1.33 -0.04 0.00 1.25 0.00 0.00 42.46 42.34 3hpk s ILE 35 CO 0.00 -0.38 0.04 -0.94 0.24 0.00 0.00 174.94 173.90 3hpk s SER 36 N -2.20 5.44 -0.09 4.36 1.04 -0.42 -0.45 113.70 121.38 3hpk s SER 36 Ca 0.04 0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.59 3hpk s SER 36 Cb -0.06 -1.52 -0.02 0.00 0.10 0.00 0.00 66.02 64.51 3hpk s SER 36 CO 0.02 0.30 -0.12 -0.63 0.98 0.00 0.00 173.24 173.79 3hpk s ILE 37 N -1.10 3.21 0.44 -1.02 1.01 0.23 -1.18 121.20 122.79 3hpk s ILE 37 Ca 0.20 -0.64 0.05 0.00 0.00 0.00 0.00 60.65 60.25 3hpk s ILE 37 Cb -0.12 -2.31 -0.05 0.00 0.01 0.00 0.00 42.46 39.99 3hpk s ILE 37 CO 0.10 0.56 0.01 -0.83 0.00 0.00 0.00 174.94 174.79 3hpk s GLY 38 N -0.29 2.68 0.00 6.18 0.00 0.63 -0.98 107.32 115.54 3hpk s GLY 38 Ca 0.03 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.16 3hpk s GLY 38 CO 0.03 -2.12 0.00 0.61 0.00 0.00 0.00 173.10 171.62 3hpk n GLY 39 N -1.06 -1.81 2.54 0.20 0.00 -1.26 -1.51 105.19 102.29 3hpk n GLY 39 Ca -0.10 -1.74 -0.19 0.00 0.00 0.00 0.00 46.02 43.98 3hpk n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hpk n GLY 40 N 0.00 1.52 3.59 -0.02 0.00 0.21 -4.55 105.19 105.94 3hpk n GLY 40 Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 3hpk n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hpk s ALA 41 N -2.76 -1.57 0.00 4.61 0.00 -0.90 -4.73 121.76 116.40 3hpk s ALA 41 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.33 3hpk s ALA 41 Cb 0.00 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.86 3hpk s ALA 41 CO 0.00 -0.85 0.00 0.94 0.00 0.00 0.00 175.76 175.85 3hpk n GLN 42 N -0.38 0.00 -0.31 0.00 -0.06 -1.26 -2.19 117.38 113.18 3hpk n GLN 42 Ca -0.11 0.00 0.11 0.00 -2.00 0.00 0.00 57.00 55.00 3hpk n GLN 42 Cb 0.62 0.00 0.28 0.00 -4.06 0.00 0.00 30.24 27.09 3hpk n GLN 42 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 3hpk n TYR 43 N 13.56 0.80 -3.77 3.69 4.01 -1.26 -4.81 117.16 129.38 3hpk n TYR 43 Ca 0.00 -0.40 -0.30 0.00 -0.16 0.00 0.00 57.90 57.04 3hpk n TYR 43 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 38.89 3hpk n TYR 43 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hpk h PRO 45 N 7.21 0.39 -7.32 0.00 0.11 -1.87 0.63 132.00 131.14 3hpk h PRO 45 Ca -0.06 -0.02 -0.51 0.00 0.11 0.00 0.00 66.00 65.52 3hpk h PRO 45 Cb 0.96 -0.09 0.13 0.00 0.11 0.00 0.00 31.00 32.12 3hpk h PRO 45 CO 0.50 0.25 0.31 0.00 -0.21 0.00 0.00 178.00 178.85 3hpk s LEU 47 N -5.97 2.70 0.16 0.00 1.43 -1.26 -1.17 118.68 114.57 3hpk s LEU 47 Ca 0.61 -0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 53.18 3hpk s LEU 47 Cb -0.17 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.49 3hpk s LEU 47 CO 0.56 0.25 0.38 -0.72 0.23 0.00 0.00 176.35 177.05 3hpk s TYR 48 N -0.96 0.10 -0.21 0.29 1.13 -0.57 -1.09 117.35 116.05 3hpk s TYR 48 Ca 0.15 -0.46 -0.27 0.00 -1.41 0.00 0.00 57.07 55.09 3hpk s TYR 48 Cb -0.11 0.15 -0.00 0.00 -1.10 0.00 0.00 41.96 40.91 3hpk s TYR 48 CO 0.06 -0.78 0.92 0.42 -2.51 0.00 0.00 175.55 173.66 3hpk s ILE 49 N -3.90 4.79 -0.10 -3.49 1.01 0.85 -0.27 121.20 120.08 3hpk s ILE 49 Ca 0.11 1.78 -0.22 0.00 0.00 0.00 0.00 60.65 62.32 3hpk s ILE 49 Cb 0.02 -4.21 -0.28 0.00 0.01 0.00 0.00 42.46 38.00 3hpk s ILE 49 CO -0.04 -0.08 0.72 0.58 0.00 0.00 0.00 174.94 176.12 3hpk h VAL 50 N 5.35 1.42 -3.04 2.92 2.07 -1.48 0.86 116.25 124.35 3hpk h VAL 50 Ca -0.24 -2.42 -0.15 0.00 0.82 0.00 0.00 66.70 64.71 3hpk h VAL 50 Cb 1.10 3.05 -0.24 0.00 -1.52 0.00 0.00 31.29 33.67 3hpk h VAL 50 CO 0.90 0.65 -0.36 -1.58 0.02 0.00 0.00 177.57 177.19 3hpk s GLN 51 N -2.38 0.39 -0.26 1.57 0.74 -1.23 -4.68 119.66 113.80 3hpk s GLN 51 Ca -0.18 0.31 -0.08 0.00 0.05 0.00 0.00 55.36 55.46 3hpk s GLN 51 Cb 0.01 0.18 -0.02 0.00 1.10 0.00 0.00 33.01 34.28 3hpk s GLN 51 CO 0.76 -0.06 0.09 0.08 -0.55 0.00 0.00 175.29 175.60 3hpk s VAL 52 N -0.08 4.36 0.17 1.34 1.01 -1.26 -1.30 120.40 124.63 3hpk s VAL 52 Ca -0.02 -0.25 -0.26 0.00 0.00 0.00 0.00 61.98 61.44 3hpk s VAL 52 Cb -0.03 -3.09 -0.08 0.00 0.00 0.00 0.00 36.38 33.18 3hpk s VAL 52 CO 0.01 0.27 0.82 -0.36 0.00 0.00 0.00 175.10 175.84 3hpk s PHE 53 N 1.61 3.91 0.71 5.22 0.08 0.13 -4.96 117.98 124.68 3hpk s PHE 53 Ca 0.06 1.69 -0.15 0.00 0.12 0.00 0.00 56.93 58.65 3hpk s PHE 53 Cb -0.16 -2.83 0.03 0.00 -0.57 0.00 0.00 43.02 39.49 3hpk s PHE 53 CO 0.04 0.48 1.17 -0.51 -0.10 0.00 0.00 175.22 176.30 3hpk s ASP 54 N -1.04 4.51 -1.38 1.36 1.01 -1.26 -3.75 116.67 116.12 3hpk s ASP 54 Ca 0.37 2.24 -0.06 0.00 0.71 0.00 0.00 52.55 55.81 3hpk s ASP 54 Cb -0.24 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.12 3hpk s ASP 54 CO 0.27 -2.05 0.78 -3.20 0.21 0.00 0.00 175.17 171.19 3hpk n ASN 55 N -2.60 -5.94 -4.28 0.27 5.15 -1.26 -5.02 115.26 101.58 3hpk n ASN 55 Ca 0.12 -0.36 -0.15 0.00 -0.60 0.00 0.00 54.58 53.60 3hpk n ASN 55 Cb 0.51 -4.68 -0.10 0.00 -0.53 0.00 0.00 39.78 34.98 3hpk n ASN 55 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3hpk s THR 56 N -3.20 1.00 0.29 -0.44 -4.23 -1.25 -5.05 115.64 102.77 3hpk s THR 56 Ca 0.39 -2.03 0.03 0.00 -1.18 0.00 0.00 61.69 58.89 3hpk s THR 56 Cb -0.17 -2.09 0.29 0.00 1.34 0.00 0.00 72.50 71.87 3hpk s THR 56 CO 0.48 -0.53 1.83 -0.65 -0.54 0.00 0.00 174.62 175.20 3hpk h PRO 57 N 2.65 0.91 -0.45 3.99 0.11 -1.80 -1.05 132.00 136.36 3hpk h PRO 57 Ca -0.37 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 3hpk h PRO 57 Cb 1.20 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3hpk h PRO 57 CO 0.64 0.60 0.09 0.00 -0.21 0.00 0.00 178.00 179.12 3hpk h ALA 58 N 1.56 0.60 -0.43 -0.75 0.00 -0.87 -1.47 119.26 117.90 3hpk h ALA 58 Ca 0.51 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 55.08 3hpk h ALA 58 Cb 0.58 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3hpk h ALA 58 CO -0.29 0.30 -0.25 0.00 0.00 0.00 0.00 179.25 179.02 3hpk h ALA 59 N 0.96 0.75 -0.44 0.00 0.00 -1.68 -1.99 119.26 116.85 3hpk h ALA 59 Ca 0.14 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3hpk h ALA 59 Cb 0.36 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3hpk h ALA 59 CO 0.01 0.66 0.27 1.25 0.00 0.00 0.00 179.25 181.44 3hpk h LEU 60 N 0.77 0.52 -0.42 0.00 5.85 -1.10 -3.02 115.31 117.90 3hpk h LEU 60 Ca 0.10 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 3hpk h LEU 60 Cb 0.81 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 3hpk h LEU 60 CO 0.07 0.41 -0.06 -0.78 -0.34 0.00 0.00 178.44 177.74 3hpk h ASP 61 N 0.58 0.79 0.00 1.25 3.58 -1.20 -3.47 116.42 117.95 3hpk h ASP 61 Ca 0.16 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.27 3hpk h ASP 61 Cb -0.02 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.81 3hpk h ASP 61 CO -0.03 0.94 0.00 0.61 -2.88 0.00 0.00 179.24 177.88 3hpk n GLY 62 N -0.27 1.38 0.16 -0.78 0.00 -0.76 -4.94 105.19 99.99 3hpk n GLY 62 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 3hpk n GLY 62 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hpk h THR 63 N 0.00 0.71 -4.01 2.61 2.02 -1.90 -3.46 112.91 108.89 3hpk h THR 63 Ca 0.00 -0.92 -0.47 0.00 0.77 0.00 0.00 66.41 65.79 3hpk h THR 63 Cb 0.00 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3hpk h THR 63 CO 0.00 0.17 0.28 0.68 0.37 0.00 0.00 175.52 177.02 3hpk s VAL 64 N -3.77 4.56 0.05 3.16 -7.23 -1.26 -5.08 120.40 110.83 3hpk s VAL 64 Ca -0.13 1.14 -0.05 0.00 -1.81 0.00 0.00 61.98 61.13 3hpk s VAL 64 Cb 0.01 -3.68 -0.01 0.00 0.56 0.00 0.00 36.38 33.26 3hpk s VAL 64 CO 0.47 -0.50 0.09 0.00 -0.31 0.00 0.00 175.10 174.86 3hpk s ALA 65 N -2.38 -0.02 0.08 1.32 0.00 -1.26 -4.96 121.76 114.54 3hpk s ALA 65 Ca 0.58 -0.64 -0.37 0.00 0.00 0.00 0.00 51.96 51.52 3hpk s ALA 65 Cb -0.10 0.29 -0.17 0.00 0.00 0.00 0.00 23.12 23.14 3hpk s ALA 65 CO 0.25 -0.35 1.29 0.00 0.00 0.00 0.00 175.76 176.95 3hpk n ALA 66 N 0.56 -1.28 0.00 0.00 0.00 -1.26 -1.71 120.51 116.82 3hpk n ALA 66 Ca -0.18 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3hpk n ALA 66 Cb 0.59 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 18.01 3hpk n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hpk n GLY 67 N 2.37 1.91 3.77 0.00 0.00 0.30 -4.95 105.19 108.58 3hpk n GLY 67 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3hpk n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hpk s ASP 68 N -1.53 6.69 0.04 1.61 1.01 -0.69 -4.67 116.67 119.13 3hpk s ASP 68 Ca 0.00 2.75 -0.23 0.00 0.71 0.00 0.00 52.55 55.78 3hpk s ASP 68 Cb 0.00 -2.65 -0.06 0.00 1.01 0.00 0.00 42.92 41.22 3hpk s ASP 68 CO 0.00 -0.60 0.71 -0.70 0.21 0.00 0.00 175.17 174.79 3hpk s GLU 69 N -1.79 4.44 -0.22 8.23 2.12 -0.93 -0.11 118.70 130.45 3hpk s GLU 69 Ca 0.50 0.96 -0.22 0.00 0.36 0.00 0.00 54.97 56.57 3hpk s GLU 69 Cb -0.41 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 30.62 3hpk s GLU 69 CO 0.54 0.34 0.70 0.42 -0.54 0.00 0.00 175.26 176.73 3hpk s ILE 70 N -0.22 4.95 -0.03 -3.70 -1.09 -0.25 -1.35 121.20 119.51 3hpk s ILE 70 Ca 0.36 1.32 0.07 0.00 -2.23 0.00 0.00 60.65 60.17 3hpk s ILE 70 Cb -0.20 -4.01 -0.11 0.00 -1.58 0.00 0.00 42.46 36.56 3hpk s ILE 70 CO 0.21 0.04 0.12 0.35 -1.23 0.00 0.00 174.94 174.43 3hpk n THR 71 N 4.94 0.19 -3.55 2.92 -2.24 0.26 -4.36 114.28 112.44 3hpk n THR 71 Ca 0.01 -0.23 -0.08 0.00 -2.27 0.00 0.00 64.05 61.48 3hpk n THR 71 Cb 0.49 -0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.58 3hpk n THR 71 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hpk s GLY 72 N -3.29 -0.44 -0.06 3.38 0.00 -0.99 -1.84 107.32 104.08 3hpk s GLY 72 Ca -0.03 0.72 0.01 0.00 0.00 0.00 0.00 44.72 45.42 3hpk s GLY 72 CO 0.32 0.23 -0.07 0.14 0.00 0.00 0.00 173.10 173.71 3hpk s VAL 73 N -3.28 0.80 -1.33 1.40 1.01 0.19 -0.37 120.40 118.82 3hpk s VAL 73 Ca 0.06 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 3hpk s VAL 73 Cb -0.01 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.58 3hpk s VAL 73 CO -0.07 0.29 0.51 0.59 0.00 0.00 0.00 175.10 176.42 3hpk n ASN 74 N 4.10 -1.70 -0.41 3.32 3.02 0.82 -1.84 115.26 122.58 3hpk n ASN 74 Ca -0.22 -1.03 -0.05 0.00 -0.03 0.00 0.00 54.58 53.24 3hpk n ASN 74 Cb 0.51 -3.01 -0.02 0.00 -0.61 0.00 0.00 39.78 36.64 3hpk n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hpk n GLY 75 N -1.93 0.75 3.04 7.41 0.00 -1.26 -5.00 105.19 108.20 3hpk n GLY 75 Ca -0.25 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 3hpk n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hpk s ARG 76 N -1.99 1.61 0.40 1.61 0.52 -0.77 -5.13 118.95 115.20 3hpk s ARG 76 Ca 0.00 -0.43 -0.27 0.00 -0.52 0.00 0.00 55.73 54.51 3hpk s ARG 76 Cb 0.00 -1.36 -0.09 0.00 0.52 0.00 0.00 34.95 34.02 3hpk s ARG 76 CO 0.00 0.07 1.39 0.45 0.02 0.00 0.00 175.30 177.23 3hpk s SER 77 N 0.50 6.28 0.00 0.23 0.15 -1.26 -0.64 113.70 118.96 3hpk s SER 77 Ca -0.11 2.84 0.14 0.00 0.70 0.00 0.00 55.95 59.52 3hpk s SER 77 Cb -0.14 -2.65 0.35 0.00 -1.71 0.00 0.00 66.02 61.87 3hpk s SER 77 CO 0.03 -0.89 1.27 2.30 1.20 0.00 0.00 173.24 177.15 3hpk n ILE 78 N 0.24 0.83 -1.71 6.45 -6.64 -0.77 -4.82 119.36 112.93 3hpk n ILE 78 Ca 0.03 -0.91 -0.43 0.00 -1.77 0.00 0.00 62.75 59.67 3hpk n ILE 78 Cb 0.42 0.64 -0.03 0.00 -1.44 0.00 0.00 39.64 39.23 3hpk n ILE 78 CO 0.00 0.00 0.00 2.29 -1.77 0.00 0.00 176.55 177.07 3hpk n LYS 79 N 0.83 2.70 -0.45 6.28 2.85 -1.26 -0.98 118.16 128.13 3hpk n LYS 79 Ca 0.14 0.97 0.00 0.00 -1.05 0.00 0.00 58.31 58.37 3hpk n LYS 79 Cb 0.46 -2.80 0.00 0.00 -0.65 0.00 0.00 35.03 32.04 3hpk n LYS 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3hpk n GLY 80 N 3.76 0.78 3.78 2.58 0.00 -1.26 -5.06 105.19 109.77 3hpk n GLY 80 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3hpk n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hpk s LYS 81 N -0.52 3.10 0.74 1.61 1.02 -0.15 -5.11 119.74 120.43 3hpk s LYS 81 Ca 0.00 -0.43 -0.11 0.00 0.02 0.00 0.00 55.97 55.45 3hpk s LYS 81 Cb 0.00 -2.89 0.04 0.00 -0.52 0.00 0.00 37.83 34.46 3hpk s LYS 81 CO 0.00 0.67 1.08 0.95 -0.92 0.00 0.00 175.35 177.13 3hpk s THR 82 N -1.13 3.56 0.39 2.17 -4.23 -1.26 -4.87 115.64 110.27 3hpk s THR 82 Ca 0.21 0.51 0.13 0.00 -1.18 0.00 0.00 61.69 61.36 3hpk s THR 82 Cb -0.12 -3.26 0.12 0.00 1.34 0.00 0.00 72.50 70.58 3hpk s THR 82 CO 0.11 -0.66 1.88 0.07 -0.54 0.00 0.00 174.62 175.48 3hpk h LYS 83 N -0.89 0.00 -0.34 3.99 2.10 -1.85 -0.95 116.57 118.63 3hpk h LYS 83 Ca -0.45 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.15 3hpk h LYS 83 Cb 1.24 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.56 3hpk h LYS 83 CO 0.58 0.31 0.03 0.28 -2.00 0.00 0.00 179.45 178.66 3hpk h VAL 84 N 0.00 1.25 -0.61 0.07 2.07 -1.94 -1.21 116.25 115.87 3hpk h VAL 84 Ca -0.00 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 3hpk h VAL 84 Cb 0.56 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 3hpk h VAL 84 CO 0.04 0.30 0.26 -0.33 0.02 0.00 0.00 177.57 177.86 3hpk h GLU 85 N 0.40 0.90 -0.48 1.57 5.08 -1.84 -2.21 114.58 118.01 3hpk h GLU 85 Ca 0.10 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 3hpk h GLU 85 Cb 0.40 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3hpk h GLU 85 CO 0.01 0.75 -0.07 0.28 -1.00 0.00 0.00 179.01 178.98 3hpk h VAL 86 N 0.85 1.26 -0.03 3.13 2.07 -1.13 -2.26 116.25 120.14 3hpk h VAL 86 Ca 0.21 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 3hpk h VAL 86 Cb 0.17 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3hpk h VAL 86 CO -0.02 0.40 0.01 0.00 0.02 0.00 0.00 177.57 177.98 3hpk h ALA 87 N 1.14 0.04 -0.91 1.67 0.00 -1.05 -2.08 119.26 118.07 3hpk h ALA 87 Ca 0.14 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.05 3hpk h ALA 87 Cb 0.57 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 3hpk h ALA 87 CO 0.03 -0.39 0.56 -0.22 0.00 0.00 0.00 179.25 179.23 3hpk h LYS 88 N -0.09 0.95 0.07 0.00 1.63 -1.36 0.18 116.57 117.94 3hpk h LYS 88 Ca 0.01 -0.06 0.01 0.00 -0.85 0.00 0.00 60.65 59.76 3hpk h LYS 88 Cb 0.14 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.54 3hpk h LYS 88 CO -0.00 0.63 -0.13 1.98 -3.45 0.00 0.00 179.45 178.48 3hpk h MET 89 N 0.98 -0.24 -0.48 1.90 4.05 -1.26 -2.20 114.93 117.67 3hpk h MET 89 Ca 0.42 0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 59.75 3hpk h MET 89 Cb 0.28 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 3hpk h MET 89 CO -0.21 -0.16 -0.11 0.82 0.23 0.00 0.00 176.91 177.48 3hpk h ILE 90 N -0.25 1.27 -0.54 1.77 2.04 -0.84 -2.91 117.51 118.05 3hpk h ILE 90 Ca 0.02 -1.24 0.07 0.00 1.00 0.00 0.00 64.86 64.71 3hpk h ILE 90 Cb 0.27 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 3hpk h ILE 90 CO -0.08 0.43 0.36 -0.61 0.00 0.00 0.00 178.15 178.25 3hpk h GLN 91 N 0.78 0.44 0.00 2.37 4.15 -0.57 -2.33 115.11 119.95 3hpk h GLN 91 Ca 0.12 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.52 3hpk h GLN 91 Cb 0.67 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.26 3hpk h GLN 91 CO 0.05 0.29 -0.83 0.39 -1.93 0.00 0.00 178.83 176.79 3hpk n GLU 92 N -4.47 0.28 -1.67 1.69 1.02 -0.83 -4.93 120.64 111.72 3hpk n GLU 92 Ca 0.08 0.04 -0.48 0.00 -0.02 0.00 0.00 57.16 56.77 3hpk n GLU 92 Cb 0.27 -1.63 -0.05 0.00 -0.02 0.00 0.00 31.44 30.02 3hpk n GLU 92 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hpk n VAL 93 N -2.01 0.23 -3.23 2.62 0.31 -0.88 -4.95 118.33 110.42 3hpk n VAL 93 Ca 0.03 -0.04 -0.39 0.00 -0.01 0.00 0.00 64.34 63.93 3hpk n VAL 93 Cb 0.43 -1.56 -0.06 0.00 -0.91 0.00 0.00 33.84 31.74 3hpk n VAL 93 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3hpk s LYS 94 N 2.17 4.24 1.79 5.55 1.02 -1.26 -4.91 119.74 128.34 3hpk s LYS 94 Ca 0.86 0.48 0.00 0.00 0.02 0.00 0.00 55.97 57.32 3hpk s LYS 94 Cb -0.74 -3.53 0.00 0.00 -0.52 0.00 0.00 37.83 33.04 3hpk s LYS 94 CO 0.46 -0.07 0.00 0.41 -0.92 0.00 0.00 175.35 175.22 3hpk n GLY 95 N 3.67 -1.60 3.77 -3.33 0.00 -1.26 -4.93 105.19 101.52 3hpk n GLY 95 Ca -0.05 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 3hpk n GLY 95 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hpk s GLU 96 N 0.00 4.40 -0.21 1.61 2.02 -1.26 -4.72 118.70 120.55 3hpk s GLU 96 Ca 0.00 2.15 -0.06 0.00 0.02 0.00 0.00 54.97 57.07 3hpk s GLU 96 Cb 0.00 -3.09 -0.03 0.00 0.10 0.00 0.00 34.13 31.11 3hpk s GLU 96 CO 0.00 -0.13 0.04 0.54 0.02 0.00 0.00 175.26 175.73 3hpk s VAL 97 N -1.11 4.34 -0.36 2.63 0.11 0.18 -4.92 120.40 121.27 3hpk s VAL 97 Ca 0.48 -0.18 -0.16 0.00 -2.93 0.00 0.00 61.98 59.20 3hpk s VAL 97 Cb -0.38 -2.98 -0.00 0.00 -1.53 0.00 0.00 36.38 31.48 3hpk s VAL 97 CO 0.51 0.41 0.37 -0.89 -3.33 0.00 0.00 175.10 172.17 3hpk s THR 98 N 0.93 5.16 -0.19 5.04 2.01 -1.26 -0.61 115.64 126.72 3hpk s THR 98 Ca 0.03 -0.08 -0.16 0.00 0.31 0.00 0.00 61.69 61.79 3hpk s THR 98 Cb -0.14 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 3hpk s THR 98 CO 0.02 -0.18 0.40 -0.63 -0.69 0.00 0.00 174.62 173.54 3hpk s ILE 99 N 2.02 5.21 -0.19 1.82 -1.09 0.29 -0.13 121.20 129.13 3hpk s ILE 99 Ca 0.11 0.72 -0.11 0.00 -2.23 0.00 0.00 60.65 59.14 3hpk s ILE 99 Cb -0.17 -3.73 -0.05 0.00 -1.58 0.00 0.00 42.46 36.93 3hpk s ILE 99 CO 0.12 0.27 0.17 -1.00 -1.23 0.00 0.00 174.94 173.26 3hpk s HIS 100 N 1.18 3.42 0.18 3.97 3.76 0.50 -1.25 115.29 127.05 3hpk s HIS 100 Ca 0.19 0.38 -0.04 0.00 -0.15 0.00 0.00 55.06 55.45 3hpk s HIS 100 Cb -0.15 -2.20 -0.03 0.00 1.11 0.00 0.00 32.58 31.31 3hpk s HIS 100 CO 0.08 0.27 0.18 1.52 -0.85 0.00 0.00 174.74 175.94 3hpk s TYR 101 N 0.42 0.82 -0.15 1.40 -0.85 -0.86 -0.58 117.35 117.56 3hpk s TYR 101 Ca 0.10 -1.14 -0.01 0.00 -0.52 0.00 0.00 57.07 55.50 3hpk s TYR 101 Cb -0.11 -0.35 -0.01 0.00 0.38 0.00 0.00 41.96 41.87 3hpk s TYR 101 CO -0.01 -0.66 -0.12 -0.80 -1.52 0.00 0.00 175.55 172.45 3hpk s ASN 102 N -3.07 4.05 -0.03 -0.18 0.01 -0.46 -0.12 114.94 115.14 3hpk s ASN 102 Ca 0.28 -0.34 -0.30 0.00 -0.71 0.00 0.00 52.86 51.79 3hpk s ASN 102 Cb 0.05 -1.63 -0.04 0.00 0.41 0.00 0.00 41.25 40.04 3hpk s ASN 102 CO 0.06 0.13 1.32 -0.54 -1.51 0.00 0.00 177.10 176.56 3hpk s LYS 103 N 0.55 4.31 -0.35 -0.60 -0.14 0.25 -2.18 119.74 121.58 3hpk s LYS 103 Ca -0.08 1.84 0.12 0.00 -1.36 0.00 0.00 55.97 56.49 3hpk s LYS 103 Cb -0.15 -3.57 0.45 0.00 -1.68 0.00 0.00 37.83 32.87 3hpk s LYS 103 CO 0.04 -0.53 1.08 1.28 -0.76 0.00 0.00 175.35 176.46 3hpk n LEU 104 N 5.34 3.39 -1.75 3.17 4.77 -1.26 -2.62 117.00 128.04 3hpk n LEU 104 Ca 0.12 -4.39 -0.09 0.00 -0.03 0.00 0.00 56.01 51.63 3hpk n LEU 104 Cb 0.45 -0.05 0.20 0.00 -2.33 0.00 0.00 43.42 41.68 3hpk n LEU 104 CO 0.57 1.85 0.93 0.00 -1.33 0.00 0.00 177.39 179.41 3hpk n GLN 105 N -0.43 2.67 -2.97 3.23 3.00 -1.26 -4.78 117.38 116.85 3hpk n GLN 105 Ca 0.27 -2.23 -0.30 0.00 -0.01 0.00 0.00 57.00 54.73 3hpk n GLN 105 Cb 0.79 -1.94 -0.03 0.00 0.00 0.00 0.00 30.24 29.06 3hpk n GLN 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3hpk s ALA 106 N -2.35 3.40 -0.69 -1.58 0.00 -1.26 -4.50 121.76 114.77 3hpk s ALA 106 Ca 0.41 -0.26 -0.09 0.00 0.00 0.00 0.00 51.96 52.02 3hpk s ALA 106 Cb 0.33 -2.62 0.01 0.00 0.00 0.00 0.00 23.12 20.84 3hpk s ALA 106 CO 0.09 0.06 0.64 -0.25 0.00 0.00 0.00 175.76 176.30 3hpk n ASP 107 N -1.17 -6.06 0.21 0.00 8.00 -1.26 -4.78 116.55 111.48 3hpk n ASP 107 Ca 0.02 -0.43 0.08 0.00 0.71 0.00 0.00 54.79 55.16 3hpk n ASP 107 Cb 0.54 -3.01 0.41 0.00 -0.02 0.00 0.00 41.12 39.04 3hpk n ASP 107 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3hpk h PRO 108 N 0.58 0.00 -0.45 -0.24 0.13 -1.96 -2.42 132.00 127.64 3hpk h PRO 108 Ca -0.39 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.70 3hpk h PRO 108 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 3hpk h PRO 108 CO 0.31 0.30 0.13 0.87 -0.23 0.00 0.00 178.00 179.38 3hpk h LYS 109 N 0.00 0.66 0.05 0.86 1.57 -1.98 -0.96 116.57 116.77 3hpk h LYS 109 Ca -0.00 -0.11 -0.19 0.00 -1.87 0.00 0.00 60.65 58.48 3hpk h LYS 109 Cb 0.79 -0.11 0.02 0.00 0.08 0.00 0.00 32.23 33.00 3hpk h LYS 109 CO 0.04 0.59 -0.76 0.37 -0.57 0.00 0.00 179.45 179.12 3hpk h GLN 110 N 0.65 0.43 -0.45 3.15 5.75 -1.83 -3.20 115.11 119.61 3hpk h GLN 110 Ca 0.15 -0.53 0.07 0.00 -0.15 0.00 0.00 58.65 58.19 3hpk h GLN 110 Cb 0.21 0.17 -0.06 0.00 1.07 0.00 0.00 27.48 28.87 3hpk h GLN 110 CO -0.01 1.19 0.13 -0.07 -2.65 0.00 0.00 178.83 177.42 3hpk h LEU 111 N -0.09 0.09 -0.88 -2.39 3.38 -1.30 -0.15 115.31 113.96 3hpk h LEU 111 Ca -0.11 0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.07 3hpk h LEU 111 Cb 1.49 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 42.22 3hpk h LEU 111 CO 0.15 0.08 0.48 -0.33 0.09 0.00 0.00 178.44 178.91 3hpk h GLU 112 N 0.28 0.67 0.07 1.13 5.08 -1.27 -2.80 114.58 117.75 3hpk h GLU 112 Ca 0.22 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3hpk h GLU 112 Cb 0.25 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3hpk h GLU 112 CO -0.25 0.44 -0.03 0.28 -1.00 0.00 0.00 179.01 178.45 3hpk h VAL 113 N 0.69 1.22 0.00 3.13 2.07 -1.34 -2.55 116.25 119.47 3hpk h VAL 113 Ca 0.48 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.78 3hpk h VAL 113 Cb 0.65 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 3hpk h VAL 113 CO -0.35 0.29 0.00 0.18 0.02 0.00 0.00 177.57 177.71 3hpk n LEU 114 N -4.87 0.00 0.00 2.57 4.77 -0.14 -0.29 117.00 119.03 3hpk n LEU 114 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3hpk n LEU 114 Cb 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3hpk n LEU 114 CO 0.31 0.00 0.16 0.49 -1.33 0.00 0.00 177.39 177.02 3hpk n PHE 115 N -0.79 0.00 0.03 -1.77 3.72 -1.10 -4.85 117.46 112.70 3hpk n PHE 115 Ca 0.05 -0.03 -0.07 0.00 -0.05 0.00 0.00 57.45 57.35 3hpk n PHE 115 Cb 0.02 -0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.43 3hpk n PHE 115 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3hpk h ASN 116 N 0.00 0.00 -3.26 4.37 -1.24 -0.20 -3.48 115.58 111.77 3hpk h ASN 116 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.94 3hpk h ASN 116 Cb 0.29 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.35 3hpk h ASN 116 CO 0.00 0.99 0.03 0.61 -1.29 0.00 0.00 177.43 177.77 3hpk n GLY 117 N 1.43 0.28 3.94 1.57 0.00 -1.24 -5.08 105.19 106.09 3hpk n GLY 117 Ca -0.07 -1.90 -0.24 0.00 0.00 0.00 0.00 46.02 43.81 3hpk n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hpk s PRO 118 N -2.93 2.42 0.00 1.61 0.04 -1.26 -4.72 135.00 130.15 3hpk s PRO 118 Ca 0.10 -0.40 0.00 0.00 0.04 0.00 0.00 61.00 60.74 3hpk s PRO 118 Cb -0.00 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.24 3hpk s PRO 118 CO 0.07 -0.98 0.00 0.41 0.04 0.00 0.00 177.00 176.54 3hpk n GLY 119 N -2.67 0.72 3.65 0.56 0.00 -1.26 -5.05 105.19 101.14 3hpk n GLY 119 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 3hpk n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hpk s ILE 120 N -2.14 4.33 -0.07 -0.61 1.09 -1.26 -5.01 121.20 117.53 3hpk s ILE 120 Ca 0.00 1.59 -0.19 0.00 -1.10 0.00 0.00 60.65 60.96 3hpk s ILE 120 Cb 0.00 -4.08 -0.05 0.00 -1.06 0.00 0.00 42.46 37.27 3hpk s ILE 120 CO 0.00 -0.20 0.51 -0.70 -0.10 0.00 0.00 174.94 174.45 3hpk s GLU 121 N 3.56 4.29 0.14 2.79 2.12 -1.26 -5.08 118.70 125.26 3hpk s GLU 121 Ca 0.53 0.54 0.01 0.00 0.36 0.00 0.00 54.97 56.40 3hpk s GLU 121 Cb -0.20 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 3hpk s GLU 121 CO 0.14 0.27 0.00 -1.54 -0.54 0.00 0.00 175.26 173.60 3hpk s SER 122 N 0.23 0.85 -0.08 -1.70 1.04 -1.26 -4.38 113.70 108.40 3hpk s SER 122 Ca 0.28 -1.14 0.02 0.00 0.48 0.00 0.00 55.95 55.59 3hpk s SER 122 Cb -0.16 0.18 0.01 0.00 0.10 0.00 0.00 66.02 66.14 3hpk s SER 122 CO 0.13 -0.60 -0.16 -0.69 0.98 0.00 0.00 173.24 172.90 3hpk s VAL 123 N -3.80 1.44 0.08 5.02 1.01 -0.15 -4.89 120.40 119.11 3hpk s VAL 123 Ca 0.20 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 3hpk s VAL 123 Cb 0.07 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 3hpk s VAL 123 CO 0.00 0.42 1.03 -0.75 0.00 0.00 0.00 175.10 175.81 3hpk s LYS 124 N 0.68 4.59 0.00 2.72 2.36 -1.26 -0.60 119.74 128.22 3hpk s LYS 124 Ca -0.13 1.54 0.00 0.00 -2.55 0.00 0.00 55.97 54.83 3hpk s LYS 124 Cb -0.16 -3.38 0.00 0.00 -1.05 0.00 0.00 37.83 33.24 3hpk s LYS 124 CO 0.04 0.03 0.20 0.44 1.55 0.00 0.00 175.35 177.61