#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hpk s GLY 15 N 0.00 2.51 -0.16 -0.72 0.00 -1.26 -5.01 107.32 102.68 3hpk s GLY 15 Ca 0.00 -3.28 0.01 0.00 0.00 0.00 0.00 44.72 41.45 3hpk s GLY 15 CO 0.00 1.68 -0.17 -0.42 0.00 0.00 0.00 173.10 174.19 3hpk s ILE 16 N 0.94 1.81 0.74 0.90 1.01 -1.26 -5.13 121.20 120.20 3hpk s ILE 16 Ca 0.31 -0.78 -0.15 0.00 0.00 0.00 0.00 60.65 60.03 3hpk s ILE 16 Cb -0.07 -1.66 0.04 0.00 0.01 0.00 0.00 42.46 40.79 3hpk s ILE 16 CO -0.07 0.50 1.20 -2.16 0.00 0.00 0.00 174.94 174.41 3hpk s PRO 17 N 1.37 2.12 0.10 2.79 0.04 -1.26 -4.78 135.00 135.37 3hpk s PRO 17 Ca 0.04 1.74 0.02 0.00 0.04 0.00 0.00 61.00 62.85 3hpk s PRO 17 Cb -0.13 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 3hpk s PRO 17 CO -0.11 -1.85 -0.08 0.95 0.04 0.00 0.00 177.00 175.95 3hpk s THR 18 N -2.02 0.77 -0.04 1.26 -4.23 -1.26 -0.99 115.64 109.14 3hpk s THR 18 Ca 0.74 -1.80 0.02 0.00 -1.18 0.00 0.00 61.69 59.47 3hpk s THR 18 Cb -0.29 -1.52 0.01 0.00 1.34 0.00 0.00 72.50 72.04 3hpk s THR 18 CO 0.46 -0.75 -0.09 0.68 -0.54 0.00 0.00 174.62 174.38 3hpk s VAL 19 N -3.12 0.84 0.41 2.29 -7.23 -0.90 -4.94 120.40 107.75 3hpk s VAL 19 Ca 0.09 -0.36 -0.24 0.00 -1.81 0.00 0.00 61.98 59.65 3hpk s VAL 19 Cb 0.02 -0.77 -0.09 0.00 0.56 0.00 0.00 36.38 36.11 3hpk s VAL 19 CO -0.03 0.27 1.08 -2.84 -0.31 0.00 0.00 175.10 173.28 3hpk s PRO 20 N 0.38 4.10 0.31 4.82 0.02 -1.26 -1.26 135.00 142.12 3hpk s PRO 20 Ca -0.07 1.60 -0.14 0.00 0.02 0.00 0.00 61.00 62.41 3hpk s PRO 20 Cb -0.11 -2.55 0.02 0.00 0.02 0.00 0.00 34.50 31.88 3hpk s PRO 20 CO 0.01 -0.22 0.63 0.20 -0.33 0.00 0.00 177.00 177.29 3hpk s GLY 21 N -1.46 0.51 0.01 0.52 0.00 0.17 -4.92 107.32 102.15 3hpk s GLY 21 Ca 0.58 -0.82 -0.16 0.00 0.00 0.00 0.00 44.72 44.32 3hpk s GLY 21 CO 0.30 -0.47 0.34 -1.59 0.00 0.00 0.00 173.10 171.68 3hpk s LYS 22 N -3.33 0.76 0.00 2.90 -2.85 -1.26 -0.80 119.74 115.17 3hpk s LYS 22 Ca 0.19 -0.30 0.00 0.00 -1.00 0.00 0.00 55.97 54.87 3hpk s LYS 22 Cb -0.03 0.34 -0.00 0.00 -2.06 0.00 0.00 37.83 36.07 3hpk s LYS 22 CO 0.11 -0.23 -0.00 0.54 0.10 0.00 0.00 175.35 175.87 3hpk s VAL 23 N -1.86 0.01 -0.30 1.79 0.11 -0.41 -4.98 120.40 114.77 3hpk s VAL 23 Ca -0.10 -0.03 -0.13 0.00 -2.93 0.00 0.00 61.98 58.80 3hpk s VAL 23 Cb -0.03 -0.02 -0.04 0.00 -1.53 0.00 0.00 36.38 34.76 3hpk s VAL 23 CO 0.01 -0.01 0.26 -0.89 -3.33 0.00 0.00 175.10 171.15 3hpk s THR 24 N -0.04 5.26 -0.06 5.04 2.01 -1.26 -0.33 115.64 126.26 3hpk s THR 24 Ca -0.00 0.17 0.03 0.00 0.31 0.00 0.00 61.69 62.20 3hpk s THR 24 Cb -0.00 -3.64 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 3hpk s THR 24 CO -0.00 0.13 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.16 3hpk s LEU 25 N 1.86 2.70 0.33 4.42 1.43 0.35 -4.95 118.68 124.82 3hpk s LEU 25 Ca 0.09 -0.23 -0.27 0.00 -1.03 0.00 0.00 54.13 52.69 3hpk s LEU 25 Cb -0.16 -1.55 -0.09 0.00 0.03 0.00 0.00 46.19 44.41 3hpk s LEU 25 CO 0.11 0.31 1.03 -1.10 0.23 0.00 0.00 176.35 176.93 3hpk s GLN 26 N -0.53 4.48 0.30 1.70 -1.52 -1.26 -0.62 119.66 122.21 3hpk s GLN 26 Ca 0.07 1.55 -0.29 0.00 -1.95 0.00 0.00 55.36 54.74 3hpk s GLN 26 Cb -0.12 -2.88 -0.10 0.00 -0.22 0.00 0.00 33.01 29.70 3hpk s GLN 26 CO 0.01 0.14 1.16 0.15 -0.25 0.00 0.00 175.29 176.50 3hpk s LYS 27 N -1.93 4.55 1.01 2.91 -0.14 0.11 -4.71 119.74 121.54 3hpk s LYS 27 Ca 0.50 1.92 -0.17 0.00 -1.36 0.00 0.00 55.97 56.86 3hpk s LYS 27 Cb -0.25 -3.14 0.23 0.00 -1.68 0.00 0.00 37.83 32.99 3hpk s LYS 27 CO 0.31 0.09 1.34 -0.40 -0.76 0.00 0.00 175.35 175.93 3hpk n ASP 28 N 1.06 -0.01 0.16 2.83 5.68 -0.23 -4.87 116.55 121.16 3hpk n ASP 28 Ca -0.01 -1.47 0.17 0.00 -0.50 0.00 0.00 54.79 52.98 3hpk n ASP 28 Cb 0.44 -1.03 0.76 0.00 -1.14 0.00 0.00 41.12 40.15 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 -1.84 2.02 -0.54 2.12 0.00 -1.97 -0.47 119.26 118.57 3hpk h ALA 29 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3hpk h ALA 29 Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3hpk h ALA 29 CO 0.31 -0.35 0.00 1.04 0.00 0.00 0.00 179.25 180.24 3hpk n GLN 30 N -4.05 2.78 -3.46 0.00 3.00 -1.26 -4.92 117.38 109.47 3hpk n GLN 30 Ca 0.03 -2.16 -0.21 0.00 -0.01 0.00 0.00 57.00 54.65 3hpk n GLN 30 Cb 0.37 -1.62 0.07 0.00 0.00 0.00 0.00 30.24 29.06 3hpk n GLN 30 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 3hpk n ASN 31 N 0.99 -5.87 -4.48 1.08 5.15 -0.18 -5.02 115.26 106.93 3hpk n ASN 31 Ca 0.20 -0.47 -0.32 0.00 -0.60 0.00 0.00 54.58 53.39 3hpk n ASN 31 Cb 0.62 -4.48 -0.13 0.00 -0.53 0.00 0.00 39.78 35.26 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 -6.54 2.72 -0.06 1.20 1.43 -1.26 -4.85 118.68 111.32 3hpk s LEU 32 Ca 0.52 -0.28 0.16 0.00 -1.03 0.00 0.00 54.13 53.50 3hpk s LEU 32 Cb -0.23 -1.57 -0.22 0.00 0.03 0.00 0.00 46.19 44.21 3hpk s LEU 32 CO 0.64 0.31 0.52 2.30 0.23 0.00 0.00 176.35 180.34 3hpk n ILE 33 N 1.96 1.32 0.00 -0.59 -5.35 -1.20 -1.07 119.36 114.43 3hpk n ILE 33 Ca -0.16 -0.77 0.00 0.00 -0.27 0.00 0.00 62.75 61.55 3hpk n ILE 33 Cb 0.52 -0.72 0.00 0.00 -1.74 0.00 0.00 39.64 37.71 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 1.55 1.82 3.32 3.28 0.00 -0.26 -0.33 105.19 114.56 3hpk n GLY 34 Ca -0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 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 1.69 -0.11 -0.61 -4.36 -0.91 -1.06 121.20 113.84 3hpk s ILE 35 Ca 0.00 -1.95 -0.03 0.00 -0.26 0.00 0.00 60.65 58.41 3hpk s ILE 35 Cb 0.00 -1.83 -0.03 0.00 1.25 0.00 0.00 42.46 41.85 3hpk s ILE 35 CO 0.00 -0.40 0.01 -0.44 0.24 0.00 0.00 174.94 174.35 3hpk s SER 36 N -2.78 5.31 0.01 4.36 0.01 0.27 -0.77 113.70 120.11 3hpk s SER 36 Ca 0.16 0.12 0.07 0.00 1.31 0.00 0.00 55.95 57.61 3hpk s SER 36 Cb -0.04 -1.63 -0.02 0.00 0.21 0.00 0.00 66.02 64.53 3hpk s SER 36 CO 0.06 0.32 -0.23 0.27 0.41 0.00 0.00 173.24 174.07 3hpk s ILE 37 N -0.52 1.80 0.00 1.44 -4.36 -0.73 0.52 121.20 119.35 3hpk s ILE 37 Ca 0.09 -1.08 0.00 0.00 -0.26 0.00 0.00 60.65 59.40 3hpk s ILE 37 Cb -0.12 -1.52 0.00 0.00 1.25 0.00 0.00 42.46 42.07 3hpk s ILE 37 CO 0.02 0.41 0.00 0.61 0.24 0.00 0.00 174.94 176.22 3hpk n GLY 38 N 2.25 -0.60 0.00 6.27 0.00 0.53 -1.12 105.19 112.52 3hpk n GLY 38 Ca -0.16 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3hpk n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hpk n GLY 39 N 0.00 -0.62 3.67 -0.02 0.00 -0.84 -0.86 105.19 106.51 3hpk n GLY 39 Ca 0.00 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 3hpk n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hpk s GLY 40 N 0.00 1.56 0.23 -0.02 0.00 -1.26 -1.40 107.32 106.42 3hpk s GLY 40 Ca 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 44.72 44.30 3hpk s GLY 40 CO 0.00 0.22 1.61 0.00 0.00 0.00 0.00 173.10 174.93 3hpk h ALA 41 N -1.96 0.88 -2.50 3.20 0.00 -1.93 -3.44 119.26 113.50 3hpk h ALA 41 Ca -0.55 -0.42 -0.52 0.00 0.00 0.00 0.00 54.91 53.42 3hpk h ALA 41 Cb 1.33 -0.11 0.14 0.00 0.00 0.00 0.00 17.79 19.15 3hpk h ALA 41 CO 0.57 0.63 0.36 -0.65 0.00 0.00 0.00 179.25 180.17 3hpk s GLN 42 N -4.31 2.30 0.21 0.00 -0.21 -1.26 -4.93 119.66 111.47 3hpk s GLN 42 Ca -0.08 1.52 -0.32 0.00 0.02 0.00 0.00 55.36 56.50 3hpk s GLN 42 Cb 0.13 -1.88 -0.14 0.00 1.00 0.00 0.00 33.01 32.11 3hpk s GLN 42 CO 0.82 -1.66 1.33 0.98 -2.12 0.00 0.00 175.29 174.64 3hpk n TYR 43 N -2.85 1.84 -3.73 0.91 4.19 -1.26 -5.01 117.16 111.25 3hpk n TYR 43 Ca 0.11 0.52 -0.12 0.00 3.31 0.00 0.00 57.90 61.72 3hpk n TYR 43 Cb 0.51 -2.40 -0.13 0.00 0.49 0.00 0.00 39.34 37.82 3hpk n TYR 43 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3hpk n PRO 45 N 4.08 0.54 -4.38 0.00 -0.04 -1.26 -4.83 135.00 129.11 3hpk n PRO 45 Ca -0.24 0.02 -0.25 0.00 -0.04 0.00 0.00 63.50 62.99 3hpk n PRO 45 Cb 0.54 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 3hpk n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hpk s LEU 47 N -3.12 2.07 0.04 0.00 2.96 -1.26 -4.93 118.68 114.44 3hpk s LEU 47 Ca 0.26 -0.42 0.07 0.00 -0.22 0.00 0.00 54.13 53.82 3hpk s LEU 47 Cb -0.07 -1.10 -0.02 0.00 0.50 0.00 0.00 46.19 45.50 3hpk s LEU 47 CO 0.14 0.25 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.92 3hpk s TYR 48 N -0.57 1.72 -0.08 5.38 2.02 -0.04 -0.55 117.35 125.23 3hpk s TYR 48 Ca 0.08 -0.37 -0.30 0.00 -0.37 0.00 0.00 57.07 56.12 3hpk s TYR 48 Cb -0.08 -1.02 -0.04 0.00 -0.40 0.00 0.00 41.96 40.41 3hpk s TYR 48 CO -0.00 0.08 1.50 0.42 -1.57 0.00 0.00 175.55 175.98 3hpk s ILE 49 N -0.81 3.79 -0.17 2.71 1.01 0.67 -0.34 121.20 128.06 3hpk s ILE 49 Ca 0.06 1.00 0.19 0.00 0.00 0.00 0.00 60.65 61.90 3hpk s ILE 49 Cb -0.09 -3.65 -0.27 0.00 0.01 0.00 0.00 42.46 38.47 3hpk s ILE 49 CO 0.02 -0.07 0.16 0.52 0.00 0.00 0.00 174.94 175.57 3hpk n VAL 50 N 5.31 1.13 -3.65 2.92 0.31 0.19 -0.12 118.33 124.41 3hpk n VAL 50 Ca 0.16 -0.79 -0.12 0.00 -0.01 0.00 0.00 64.34 63.58 3hpk n VAL 50 Cb 0.43 -0.38 -0.08 0.00 -0.91 0.00 0.00 33.84 32.90 3hpk n VAL 50 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3hpk s GLN 51 N -2.69 0.74 -0.22 5.55 0.74 -1.20 -4.65 119.66 117.94 3hpk s GLN 51 Ca -0.09 1.00 -0.06 0.00 0.05 0.00 0.00 55.36 56.26 3hpk s GLN 51 Cb 0.08 0.29 -0.02 0.00 1.10 0.00 0.00 33.01 34.46 3hpk s GLN 51 CO 0.84 -0.11 0.02 0.08 -0.55 0.00 0.00 175.29 175.57 3hpk s VAL 52 N 0.75 4.03 0.07 1.34 1.01 -1.26 -0.57 120.40 125.76 3hpk s VAL 52 Ca -0.03 -0.28 -0.21 0.00 0.00 0.00 0.00 61.98 61.46 3hpk s VAL 52 Cb -0.05 -2.84 -0.06 0.00 0.00 0.00 0.00 36.38 33.42 3hpk s VAL 52 CO -0.05 0.40 0.63 -0.36 0.00 0.00 0.00 175.10 175.72 3hpk s PHE 53 N 1.20 3.79 0.44 5.22 0.08 -0.23 -4.99 117.98 123.49 3hpk s PHE 53 Ca 0.03 1.33 -0.24 0.00 0.12 0.00 0.00 56.93 58.18 3hpk s PHE 53 Cb -0.14 -2.60 -0.09 0.00 -0.57 0.00 0.00 43.02 39.61 3hpk s PHE 53 CO 0.02 0.49 1.13 -0.25 -0.10 0.00 0.00 175.22 176.51 3hpk n ASP 54 N 2.03 1.84 -0.19 1.36 8.00 -1.26 -3.41 116.55 124.91 3hpk n ASP 54 Ca -0.08 1.04 -0.03 0.00 0.71 0.00 0.00 54.79 56.44 3hpk n ASP 54 Cb 0.50 -1.43 -0.01 0.00 -0.02 0.00 0.00 41.12 40.16 3hpk n ASP 54 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3hpk n ASN 55 N 0.19 -5.01 -4.97 -2.24 4.13 -1.26 -4.99 115.26 101.11 3hpk n ASN 55 Ca 0.09 0.06 -0.21 0.00 1.68 0.00 0.00 54.58 56.20 3hpk n ASN 55 Cb 0.40 -2.73 0.00 0.00 -1.54 0.00 0.00 39.78 35.91 3hpk n ASN 55 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3hpk s THR 56 N -1.52 4.10 0.26 3.41 -4.23 -1.22 -4.90 115.64 111.54 3hpk s THR 56 Ca 0.00 -0.78 -0.03 0.00 -1.18 0.00 0.00 61.69 59.70 3hpk s THR 56 Cb 0.00 -3.46 0.28 0.00 1.34 0.00 0.00 72.50 70.66 3hpk s THR 56 CO 0.00 -0.24 1.65 -0.65 -0.54 0.00 0.00 174.62 174.83 3hpk h PRO 57 N 0.69 0.16 -0.40 3.99 0.11 -1.81 -1.68 132.00 133.07 3hpk h PRO 57 Ca -0.46 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.67 3hpk h PRO 57 Cb 1.25 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 3hpk h PRO 57 CO 0.55 0.11 0.20 0.00 -0.21 0.00 0.00 178.00 178.65 3hpk h ALA 58 N 1.72 0.49 -0.14 -0.75 0.00 -0.99 -1.58 119.26 118.01 3hpk h ALA 58 Ca 0.47 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 3hpk h ALA 58 Cb 0.87 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3hpk h ALA 58 CO -0.64 -0.16 0.04 0.00 0.00 0.00 0.00 179.25 178.49 3hpk h ALA 59 N 1.21 0.19 -0.56 0.00 0.00 -1.59 -2.49 119.26 116.01 3hpk h ALA 59 Ca 0.17 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3hpk h ALA 59 Cb 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3hpk h ALA 59 CO -0.11 -0.18 0.06 -0.07 0.00 0.00 0.00 179.25 178.95 3hpk h LEU 60 N 0.03 0.88 -0.24 0.00 3.38 -1.24 -2.71 115.31 115.42 3hpk h LEU 60 Ca 0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3hpk h LEU 60 Cb 0.26 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3hpk h LEU 60 CO 0.00 0.91 0.13 -0.78 0.09 0.00 0.00 178.44 178.79 3hpk h ASP 61 N 0.87 0.30 0.00 -0.43 3.58 -1.32 -3.47 116.42 115.95 3hpk h ASP 61 Ca 0.17 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.53 3hpk h ASP 61 Cb 0.43 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.41 3hpk h ASP 61 CO 0.01 0.30 0.00 0.61 -2.88 0.00 0.00 179.24 177.29 3hpk n GLY 62 N -0.93 1.13 0.19 -0.78 0.00 -0.94 -4.94 105.19 98.92 3hpk n GLY 62 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 0.70 -3.51 2.61 2.02 -1.88 -3.46 112.91 109.39 3hpk h THR 63 Ca 0.00 -0.71 -0.50 0.00 0.77 0.00 0.00 66.41 65.97 3hpk h THR 63 Cb 0.00 1.06 0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3hpk h THR 63 CO 0.00 0.13 0.05 0.68 0.37 0.00 0.00 175.52 176.75 3hpk s VAL 64 N -4.36 4.89 0.09 3.16 -7.23 -1.26 -5.10 120.40 110.59 3hpk s VAL 64 Ca -0.14 0.30 -0.09 0.00 -1.81 0.00 0.00 61.98 60.24 3hpk s VAL 64 Cb 0.02 -3.79 0.00 0.00 0.56 0.00 0.00 36.38 33.17 3hpk s VAL 64 CO 0.52 -0.61 0.21 0.00 -0.31 0.00 0.00 175.10 174.91 3hpk s ALA 65 N -2.46 -0.30 0.15 1.32 0.00 -1.26 -4.94 121.76 114.27 3hpk s ALA 65 Ca 0.48 -0.54 -0.34 0.00 0.00 0.00 0.00 51.96 51.55 3hpk s ALA 65 Cb -0.10 0.49 -0.15 0.00 0.00 0.00 0.00 23.12 23.36 3hpk s ALA 65 CO 0.36 -0.51 1.42 0.00 0.00 0.00 0.00 175.76 177.03 3hpk n ALA 66 N -0.03 0.24 0.00 0.00 0.00 -1.26 -2.00 120.51 117.46 3hpk n ALA 66 Ca -0.15 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3hpk n ALA 66 Cb 0.62 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 2.73 2.66 3.77 0.00 0.00 0.83 -4.23 105.19 110.95 3hpk n GLY 67 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.30 6.79 -0.06 1.61 1.01 -0.84 -4.63 116.67 119.25 3hpk s ASP 68 Ca 0.00 2.57 -0.27 0.00 0.71 0.00 0.00 52.55 55.56 3hpk s ASP 68 Cb 0.00 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 3hpk s ASP 68 CO 0.00 -0.51 0.85 -0.70 0.21 0.00 0.00 175.17 175.02 3hpk s GLU 69 N -1.83 4.46 -0.12 8.23 2.12 -0.39 -0.24 118.70 130.93 3hpk s GLU 69 Ca 0.50 1.15 -0.21 0.00 0.36 0.00 0.00 54.97 56.77 3hpk s GLU 69 Cb -0.37 -3.48 -0.03 0.00 0.26 0.00 0.00 34.13 30.50 3hpk s GLU 69 CO 0.49 -0.08 0.62 -1.50 -0.54 0.00 0.00 175.26 174.25 3hpk s ILE 70 N 1.21 5.08 -0.00 -3.70 2.07 0.29 -0.14 121.20 126.01 3hpk s ILE 70 Ca 0.44 1.23 0.01 0.00 -1.41 0.00 0.00 60.65 60.92 3hpk s ILE 70 Cb -0.19 -3.95 -0.01 0.00 0.13 0.00 0.00 42.46 38.44 3hpk s ILE 70 CO 0.21 0.24 0.01 0.35 -1.91 0.00 0.00 174.94 173.84 3hpk n THR 71 N 3.99 0.02 -3.82 4.00 -2.24 0.15 -4.27 114.28 112.10 3hpk n THR 71 Ca -0.03 -0.02 -0.04 0.00 -2.27 0.00 0.00 64.05 61.69 3hpk n THR 71 Cb 0.51 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 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 -2.47 -0.01 -0.07 3.38 0.00 -1.10 -1.55 107.32 105.50 3hpk s GLY 72 Ca -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 44.72 44.51 3hpk s GLY 72 CO 0.03 1.00 0.13 0.14 0.00 0.00 0.00 173.10 174.41 3hpk s VAL 73 N -2.71 -0.12 -1.42 1.40 1.01 0.19 -1.45 120.40 117.30 3hpk s VAL 73 Ca 0.17 0.26 -0.08 0.00 0.00 0.00 0.00 61.98 62.32 3hpk s VAL 73 Cb -0.02 -0.24 0.01 0.00 0.00 0.00 0.00 36.38 36.13 3hpk s VAL 73 CO 0.05 0.11 0.29 0.59 0.00 0.00 0.00 175.10 176.13 3hpk n ASN 74 N 4.64 -0.75 -0.37 3.32 3.02 -0.37 -0.80 115.26 123.96 3hpk n ASN 74 Ca -0.18 -1.20 -0.05 0.00 -0.03 0.00 0.00 54.58 53.12 3hpk n ASN 74 Cb 0.51 -2.10 -0.02 0.00 -0.61 0.00 0.00 39.78 37.56 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 -2.28 0.71 3.15 7.41 0.00 -1.26 -5.01 105.19 107.91 3hpk n GLY 75 Ca -0.27 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.89 2.78 0.42 1.61 1.81 0.02 -5.12 118.95 118.59 3hpk s ARG 76 Ca 0.00 -0.77 -0.25 0.00 -1.72 0.00 0.00 55.73 52.98 3hpk s ARG 76 Cb 0.00 -2.20 -0.08 0.00 -0.45 0.00 0.00 34.95 32.21 3hpk s ARG 76 CO 0.00 0.05 1.30 0.45 -0.68 0.00 0.00 175.30 176.42 3hpk s SER 77 N 0.67 6.19 0.00 0.23 0.15 -1.26 -0.63 113.70 119.05 3hpk s SER 77 Ca -0.12 2.64 0.19 0.00 0.70 0.00 0.00 55.95 59.36 3hpk s SER 77 Cb -0.16 -2.64 0.50 0.00 -1.71 0.00 0.00 66.02 62.01 3hpk s SER 77 CO 0.02 -0.93 1.41 2.30 1.20 0.00 0.00 173.24 177.25 3hpk n ILE 78 N -0.04 0.88 -1.73 6.45 -6.64 -0.60 -4.86 119.36 112.82 3hpk n ILE 78 Ca 0.05 -0.94 -0.42 0.00 -1.77 0.00 0.00 62.75 59.66 3hpk n ILE 78 Cb 0.44 0.61 -0.02 0.00 -1.44 0.00 0.00 39.64 39.23 3hpk n ILE 78 CO 0.00 0.00 0.00 1.17 -1.77 0.00 0.00 176.55 175.95 3hpk n LYS 79 N 1.27 2.61 -0.67 6.28 4.81 -1.26 -1.74 118.16 129.47 3hpk n LYS 79 Ca 0.19 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.57 3hpk n LYS 79 Cb 0.55 -2.72 0.00 0.00 0.02 0.00 0.00 35.03 32.88 3hpk n LYS 79 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hpk n GLY 80 N 2.70 0.81 3.80 3.14 0.00 -1.26 -5.05 105.19 109.33 3hpk n GLY 80 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.33 3.02 0.68 1.61 1.02 -0.71 -5.11 119.74 119.92 3hpk s LYS 81 Ca 0.00 -0.60 -0.12 0.00 0.02 0.00 0.00 55.97 55.28 3hpk s LYS 81 Cb 0.00 -2.81 0.00 0.00 -0.52 0.00 0.00 37.83 34.50 3hpk s LYS 81 CO 0.00 0.59 1.06 0.95 -0.92 0.00 0.00 175.35 177.03 3hpk s THR 82 N -1.36 3.97 0.36 2.17 -4.23 -1.26 -4.88 115.64 110.41 3hpk s THR 82 Ca 0.29 0.69 0.03 0.00 -1.18 0.00 0.00 61.69 61.52 3hpk s THR 82 Cb -0.12 -3.38 0.26 0.00 1.34 0.00 0.00 72.50 70.60 3hpk s THR 82 CO 0.21 -0.78 2.01 0.07 -0.54 0.00 0.00 174.62 175.59 3hpk h LYS 83 N -0.50 0.79 -0.39 3.99 2.10 -1.98 -1.24 116.57 119.34 3hpk h LYS 83 Ca -0.44 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.15 3hpk h LYS 83 Cb 1.21 -0.18 -0.02 0.00 -0.90 0.00 0.00 32.23 32.35 3hpk h LYS 83 CO 0.57 0.53 0.22 0.28 -2.00 0.00 0.00 179.45 179.05 3hpk h VAL 84 N 0.82 1.14 -0.75 0.07 2.07 -1.95 -0.28 116.25 117.37 3hpk h VAL 84 Ca 0.22 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3hpk h VAL 84 Cb -0.09 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 3hpk h VAL 84 CO -0.05 0.15 0.47 -0.33 0.02 0.00 0.00 177.57 177.83 3hpk h GLU 85 N 0.51 1.00 -0.30 1.57 5.08 -1.76 0.29 114.58 120.97 3hpk h GLU 85 Ca 0.14 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3hpk h GLU 85 Cb 0.04 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3hpk h GLU 85 CO -0.02 0.69 0.04 0.28 -1.00 0.00 0.00 179.01 178.99 3hpk h VAL 86 N 1.02 1.24 -0.16 3.13 2.07 -1.09 -1.22 116.25 121.23 3hpk h VAL 86 Ca 0.27 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.98 3hpk h VAL 86 Cb -0.07 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3hpk h VAL 86 CO -0.05 0.27 0.02 0.00 0.02 0.00 0.00 177.57 177.83 3hpk h ALA 87 N 0.87 0.16 -0.56 1.67 0.00 -0.88 -0.14 119.26 120.37 3hpk h ALA 87 Ca 0.09 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.12 3hpk h ALA 87 Cb 0.36 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 3hpk h ALA 87 CO 0.01 -0.42 0.19 -0.22 0.00 0.00 0.00 179.25 178.81 3hpk h LYS 88 N 0.09 0.34 -0.23 0.00 3.64 -0.89 0.22 116.57 119.75 3hpk h LYS 88 Ca 0.07 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 3hpk h LYS 88 Cb 0.07 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 3hpk h LYS 88 CO -0.11 0.23 -0.01 1.98 -2.27 0.00 0.00 179.45 179.27 3hpk h MET 89 N 0.35 0.05 -0.36 1.90 4.05 -0.73 -1.64 114.93 118.56 3hpk h MET 89 Ca 0.28 -0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.62 3hpk h MET 89 Cb 0.35 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 3hpk h MET 89 CO -0.30 0.04 -0.08 0.82 0.23 0.00 0.00 176.91 177.61 3hpk h ILE 90 N 0.06 1.28 -0.22 1.77 2.04 -0.54 -3.01 117.51 118.89 3hpk h ILE 90 Ca 0.11 -1.15 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 3hpk h ILE 90 Cb 0.14 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3hpk h ILE 90 CO -0.19 0.38 0.12 -0.61 0.00 0.00 0.00 178.15 177.85 3hpk h GLN 91 N 0.50 0.29 0.00 2.37 4.15 -0.43 -2.50 115.11 119.48 3hpk h GLN 91 Ca 0.09 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3hpk h GLN 91 Cb 0.59 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.22 3hpk h GLN 91 CO 0.03 0.21 -0.12 0.39 -1.93 0.00 0.00 178.83 177.42 3hpk n GLU 92 N -4.48 0.13 -2.79 1.69 1.02 -0.63 -4.70 120.64 110.88 3hpk n GLU 92 Ca 0.00 0.09 -0.42 0.00 -0.02 0.00 0.00 57.16 56.81 3hpk n GLU 92 Cb 0.09 -1.64 -0.03 0.00 -0.02 0.00 0.00 31.44 29.84 3hpk n GLU 92 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hpk s VAL 93 N -3.06 4.82 0.02 2.62 1.01 -0.94 -5.04 120.40 119.83 3hpk s VAL 93 Ca 0.12 1.83 -0.05 0.00 0.00 0.00 0.00 61.98 63.88 3hpk s VAL 93 Cb 0.16 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 3hpk s VAL 93 CO 0.59 -0.00 0.25 -0.54 0.00 0.00 0.00 175.10 175.40 3hpk s LYS 94 N 2.19 3.53 0.00 2.72 -0.14 -1.26 -4.64 119.74 122.14 3hpk s LYS 94 Ca 0.43 -0.18 0.00 0.00 -1.36 0.00 0.00 55.97 54.86 3hpk s LYS 94 Cb -0.17 -3.06 0.00 0.00 -1.68 0.00 0.00 37.83 32.92 3hpk s LYS 94 CO 0.14 0.64 0.00 0.41 -0.76 0.00 0.00 175.35 175.77 3hpk n GLY 95 N 0.90 0.88 3.40 -3.33 0.00 -1.26 -4.77 105.19 101.00 3hpk n GLY 95 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 3hpk n GLY 95 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hpk s GLU 96 N 0.00 0.53 -0.00 1.61 2.12 -1.26 0.10 118.70 121.80 3hpk s GLU 96 Ca 0.00 0.84 0.01 0.00 0.36 0.00 0.00 54.97 56.18 3hpk s GLU 96 Cb 0.00 0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.52 3hpk s GLU 96 CO 0.00 -0.12 -0.02 0.54 -0.54 0.00 0.00 175.26 175.12 3hpk s VAL 97 N 1.01 0.16 -0.32 3.70 0.11 0.20 -4.95 120.40 120.31 3hpk s VAL 97 Ca -0.06 -0.07 -0.13 0.00 -2.93 0.00 0.00 61.98 58.79 3hpk s VAL 97 Cb -0.06 -0.15 -0.03 0.00 -1.53 0.00 0.00 36.38 34.62 3hpk s VAL 97 CO -0.09 0.05 0.27 -0.89 -3.33 0.00 0.00 175.10 171.11 3hpk s THR 98 N 0.06 5.25 -0.26 5.04 2.01 -1.26 -0.50 115.64 125.99 3hpk s THR 98 Ca -0.00 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 61.89 3hpk s THR 98 Cb -0.02 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 3hpk s THR 98 CO -0.00 0.04 0.18 -0.63 -0.69 0.00 0.00 174.62 173.52 3hpk s ILE 99 N 1.83 5.33 -0.07 1.82 -1.09 0.55 -1.23 121.20 128.34 3hpk s ILE 99 Ca 0.08 0.19 -0.11 0.00 -2.23 0.00 0.00 60.65 58.59 3hpk s ILE 99 Cb -0.17 -3.52 -0.05 0.00 -1.58 0.00 0.00 42.46 37.14 3hpk s ILE 99 CO 0.11 0.29 0.27 -1.00 -1.23 0.00 0.00 174.94 173.37 3hpk s HIS 100 N 1.46 3.65 0.09 3.97 3.76 -0.53 -1.28 115.29 126.40 3hpk s HIS 100 Ca 0.08 0.73 -0.11 0.00 -0.15 0.00 0.00 55.06 55.61 3hpk s HIS 100 Cb -0.15 -2.12 0.01 0.00 1.11 0.00 0.00 32.58 31.43 3hpk s HIS 100 CO 0.08 0.66 0.26 1.52 -0.85 0.00 0.00 174.74 176.41 3hpk s TYR 101 N -0.94 0.02 -0.20 1.40 -0.85 0.02 -0.68 117.35 116.12 3hpk s TYR 101 Ca 0.19 -0.36 -0.06 0.00 -0.52 0.00 0.00 57.07 56.32 3hpk s TYR 101 Cb -0.14 0.05 -0.03 0.00 0.38 0.00 0.00 41.96 42.22 3hpk s TYR 101 CO 0.08 -0.57 0.02 -0.80 -1.52 0.00 0.00 175.55 172.76 3hpk s ASN 102 N -2.66 5.05 -0.14 -0.18 0.01 0.81 -0.66 114.94 117.17 3hpk s ASN 102 Ca 0.02 -0.14 -0.29 0.00 -0.71 0.00 0.00 52.86 51.74 3hpk s ASN 102 Cb 0.03 -1.87 -0.01 0.00 0.41 0.00 0.00 41.25 39.82 3hpk s ASN 102 CO -0.10 0.08 1.01 -0.54 -1.51 0.00 0.00 177.10 176.05 3hpk s LYS 103 N 0.90 4.38 -0.06 -0.60 -0.14 -0.39 -1.26 119.74 122.58 3hpk s LYS 103 Ca 0.02 1.38 -0.26 0.00 -1.36 0.00 0.00 55.97 55.74 3hpk s LYS 103 Cb -0.14 -3.57 -0.03 0.00 -1.68 0.00 0.00 37.83 32.41 3hpk s LYS 103 CO 0.02 -0.40 0.84 -0.51 -0.76 0.00 0.00 175.35 174.55 3hpk s LEU 104 N 2.32 4.31 -1.32 3.17 1.02 -1.26 -2.11 118.68 124.79 3hpk s LEU 104 Ca 0.47 1.38 -0.10 0.00 0.02 0.00 0.00 54.13 55.89 3hpk s LEU 104 Cb -0.17 -3.31 0.14 0.00 0.02 0.00 0.00 46.19 42.86 3hpk s LEU 104 CO 0.15 -0.24 1.97 0.00 0.02 0.00 0.00 176.35 178.25 3hpk n GLN 105 N 4.16 3.48 -4.14 1.70 1.13 -0.16 -4.89 117.38 118.66 3hpk n GLN 105 Ca 0.03 -3.31 -0.11 0.00 -1.94 0.00 0.00 57.00 51.67 3hpk n GLN 105 Cb 0.51 -3.00 -0.09 0.00 0.11 0.00 0.00 30.24 27.77 3hpk n GLN 105 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hpk s ALA 106 N 0.96 0.80 -0.25 -1.58 0.00 -1.26 -4.64 121.76 115.79 3hpk s ALA 106 Ca 0.42 -1.48 -0.35 0.00 0.00 0.00 0.00 51.96 50.55 3hpk s ALA 106 Cb 0.11 1.26 -0.12 0.00 0.00 0.00 0.00 23.12 24.38 3hpk s ALA 106 CO -0.02 -0.64 2.03 -3.47 0.00 0.00 0.00 175.76 173.66 3hpk n ASP 107 N -0.28 2.67 -0.23 0.00 -0.08 -1.26 -4.85 116.55 112.52 3hpk n ASP 107 Ca 0.00 0.67 -0.01 0.00 -1.51 0.00 0.00 54.79 53.94 3hpk n ASP 107 Cb 0.65 -1.30 0.19 0.00 2.34 0.00 0.00 41.12 43.00 3hpk n ASP 107 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3hpk h PRO 108 N 10.83 1.03 -0.21 -0.67 0.11 -1.96 -2.08 132.00 139.05 3hpk h PRO 108 Ca -0.38 -0.10 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 3hpk h PRO 108 Cb 1.30 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3hpk h PRO 108 CO 0.98 0.74 -0.31 0.87 -0.21 0.00 0.00 178.00 180.08 3hpk h LYS 109 N 1.04 0.41 -0.05 1.05 1.57 -1.95 -0.80 116.57 117.85 3hpk h LYS 109 Ca 0.27 -0.17 -0.14 0.00 -1.87 0.00 0.00 60.65 58.74 3hpk h LYS 109 Cb -0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3hpk h LYS 109 CO -0.05 0.68 -0.60 1.96 -0.57 0.00 0.00 179.45 180.87 3hpk h GLN 110 N 0.36 0.16 -0.33 3.15 4.20 -1.82 -2.40 115.11 118.44 3hpk h GLN 110 Ca 0.05 -0.11 -0.09 0.00 0.06 0.00 0.00 58.65 58.56 3hpk h GLN 110 Cb 0.73 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 3hpk h GLN 110 CO 0.06 0.72 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.73 3hpk h LEU 111 N 0.12 0.68 0.19 1.46 3.38 -1.01 -1.83 115.31 118.29 3hpk h LEU 111 Ca -0.01 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.58 3hpk h LEU 111 Cb 1.10 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 3hpk h LEU 111 CO 0.09 0.93 -0.28 -0.33 0.09 0.00 0.00 178.44 178.93 3hpk h GLU 112 N 0.44 -0.52 -0.34 1.13 5.08 -1.10 -2.19 114.58 117.08 3hpk h GLU 112 Ca 0.08 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.52 3hpk h GLU 112 Cb 0.66 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 3hpk h GLU 112 CO 0.04 -0.34 0.05 0.28 -1.00 0.00 0.00 179.01 178.04 3hpk h VAL 113 N -0.54 0.81 -0.17 3.13 2.07 -1.48 -1.40 116.25 118.67 3hpk h VAL 113 Ca 0.01 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.53 3hpk h VAL 113 Cb 0.53 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 3hpk h VAL 113 CO -0.12 0.03 -0.27 0.25 0.02 0.00 0.00 177.57 177.48 3hpk h LEU 114 N 0.17 -0.84 -0.25 2.57 5.85 -1.13 -0.79 115.31 120.88 3hpk h LEU 114 Ca 0.16 0.14 0.00 0.00 0.84 0.00 0.00 57.88 59.02 3hpk h LEU 114 Cb 0.19 0.37 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3hpk h LEU 114 CO -0.23 -0.31 0.00 0.49 -0.34 0.00 0.00 178.44 178.05 3hpk n PHE 115 N -5.39 0.05 1.03 1.25 3.01 -0.84 -2.01 117.46 114.56 3hpk n PHE 115 Ca -0.02 -0.03 0.13 0.00 1.01 0.00 0.00 57.45 58.54 3hpk n PHE 115 Cb 0.30 0.00 0.43 0.00 -0.01 0.00 0.00 39.48 40.20 3hpk n PHE 115 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3hpk n ASN 116 N -0.52 0.30 -4.63 4.37 4.13 -0.31 -4.87 115.26 113.71 3hpk n ASN 116 Ca 0.14 0.04 -0.30 0.00 1.68 0.00 0.00 54.58 56.14 3hpk n ASN 116 Cb 0.12 -0.08 0.18 0.00 -1.54 0.00 0.00 39.78 38.46 3hpk n ASN 116 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3hpk s GLY 117 N -2.96 1.61 0.40 7.41 0.00 -0.85 -4.98 107.32 107.95 3hpk s GLY 117 Ca 0.13 0.06 -0.26 0.00 0.00 0.00 0.00 44.72 44.66 3hpk s GLY 117 CO 0.61 0.61 1.32 2.56 0.00 0.00 0.00 173.10 178.21 3hpk s PRO 118 N -4.71 3.97 0.00 2.90 0.04 -1.26 -3.30 135.00 132.64 3hpk s PRO 118 Ca 0.66 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.90 3hpk s PRO 118 Cb -0.21 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.55 3hpk s PRO 118 CO 0.60 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.54 3hpk n GLY 119 N 0.66 0.84 3.69 0.56 0.00 -1.26 -4.98 105.19 104.70 3hpk n GLY 119 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.33 3.86 -0.10 -0.61 -1.09 -1.21 -3.40 121.20 115.32 3hpk s ILE 120 Ca 0.00 1.23 -0.02 0.00 -2.23 0.00 0.00 60.65 59.63 3hpk s ILE 120 Cb 0.00 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 37.06 3hpk s ILE 120 CO 0.00 0.00 -0.02 -1.61 -1.23 0.00 0.00 174.94 172.08 3hpk s GLU 121 N 2.29 3.14 0.03 2.79 2.02 -0.50 -4.98 118.70 123.50 3hpk s GLU 121 Ca 0.62 -0.47 -0.22 0.00 0.02 0.00 0.00 54.97 54.92 3hpk s GLU 121 Cb -0.30 -2.79 0.05 0.00 0.10 0.00 0.00 34.13 31.19 3hpk s GLU 121 CO 0.25 0.56 0.49 -1.54 0.02 0.00 0.00 175.26 175.04 3hpk s SER 122 N -0.49 -0.40 -0.12 -0.19 1.04 -1.26 -1.99 113.70 110.28 3hpk s SER 122 Ca 0.08 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.70 3hpk s SER 122 Cb -0.12 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 3hpk s SER 122 CO 0.02 -0.67 -0.14 -0.69 0.98 0.00 0.00 173.24 172.74 3hpk s VAL 123 N -2.23 2.96 0.01 5.02 1.01 -0.28 -4.90 120.40 121.99 3hpk s VAL 123 Ca -0.07 -0.70 -0.28 0.00 0.00 0.00 0.00 61.98 60.93 3hpk s VAL 123 Cb -0.01 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 3hpk s VAL 123 CO -0.00 0.53 0.89 -0.75 0.00 0.00 0.00 175.10 175.77 3hpk s LYS 124 N 0.29 4.55 0.00 2.72 2.20 -1.26 -1.77 119.74 126.47 3hpk s LYS 124 Ca -0.11 1.27 0.00 0.00 -0.36 0.00 0.00 55.97 56.77 3hpk s LYS 124 Cb -0.16 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 3hpk s LYS 124 CO 0.06 0.05 0.00 0.44 -0.36 0.00 0.00 175.35 175.54