#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u79 n GLU 6 N 0.00 -4.04 -1.45 0.00 4.07 -1.26 -4.95 120.64 113.01 1u79 n GLU 6 Ca 0.00 3.12 -0.32 0.00 -0.06 0.00 0.00 57.16 59.89 1u79 n GLU 6 Cb 0.00 -5.11 0.08 0.00 -0.06 0.00 0.00 31.44 26.35 1u79 n GLU 6 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 1u79 s PHE 7 N -1.10 2.40 -0.28 4.31 0.40 -1.26 -4.80 117.98 117.66 1u79 s PHE 7 Ca -0.16 1.59 -0.06 0.00 -0.60 0.00 0.00 56.93 57.70 1u79 s PHE 7 Cb 0.01 -3.20 0.01 0.00 0.51 0.00 0.00 43.02 40.34 1u79 s PHE 7 CO 0.77 -1.99 0.04 0.45 0.70 0.00 0.00 175.22 175.19 1u79 s SER 8 N -2.73 4.91 -0.27 1.36 0.15 0.95 -4.90 113.70 113.18 1u79 s SER 8 Ca 0.67 -0.68 -0.15 0.00 0.70 0.00 0.00 55.95 56.48 1u79 s SER 8 Cb -0.21 -1.83 -0.04 0.00 -1.71 0.00 0.00 66.02 62.23 1u79 s SER 8 CO 0.48 -0.16 0.39 -0.69 1.20 0.00 0.00 173.24 174.47 1u79 s VAL 9 N 1.47 5.16 0.76 4.45 1.01 -1.26 -1.53 120.40 130.46 1u79 s VAL 9 Ca 0.03 0.61 -0.12 0.00 0.00 0.00 0.00 61.98 62.50 1u79 s VAL 9 Cb -0.17 -3.72 0.05 0.00 0.00 0.00 0.00 36.38 32.54 1u79 s VAL 9 CO 0.01 0.14 1.14 -0.94 0.00 0.00 0.00 175.10 175.45 1u79 s SER 10 N 1.63 4.96 0.37 3.32 1.04 -0.38 -4.90 113.70 119.73 1u79 s SER 10 Ca 0.16 0.96 0.14 0.00 0.48 0.00 0.00 55.95 57.68 1u79 s SER 10 Cb -0.16 -1.60 0.97 0.00 0.10 0.00 0.00 66.02 65.33 1u79 s SER 10 CO 0.10 -1.64 1.79 -0.65 0.98 0.00 0.00 173.24 173.82 1u79 h PRO 11 N -0.86 0.51 0.00 4.02 0.11 -1.87 0.91 132.00 134.82 1u79 h PRO 11 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1u79 h PRO 11 Cb 1.29 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1u79 h PRO 11 CO 0.65 0.34 0.00 -1.13 -0.21 0.00 0.00 178.00 177.65 1u79 n SER 12 N -4.67 0.21 0.00 -2.05 3.41 -1.26 -4.88 113.62 104.38 1u79 n SER 12 Ca 0.24 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.38 1u79 n SER 12 Cb 0.73 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1u79 n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u79 n GLY 13 N 0.96 2.44 3.71 5.00 0.00 0.31 -4.97 105.19 112.65 1u79 n GLY 13 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1u79 n GLY 13 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1u79 s LEU 14 N 0.00 4.37 0.17 0.99 2.96 -1.26 -4.60 118.68 121.32 1u79 s LEU 14 Ca 0.00 2.62 0.09 0.00 -0.22 0.00 0.00 54.13 56.62 1u79 s LEU 14 Cb 0.00 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 1u79 s LEU 14 CO 0.00 -0.86 -0.20 0.00 -1.32 0.00 0.00 176.35 173.98 1u79 s ALA 15 N 1.52 2.14 0.24 5.97 0.00 -0.28 -1.25 121.76 130.10 1u79 s ALA 15 Ca 0.72 -1.53 -0.15 0.00 0.00 0.00 0.00 51.96 51.00 1u79 s ALA 15 Cb -0.44 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.47 1u79 s ALA 15 CO 0.32 0.28 0.53 -0.59 0.00 0.00 0.00 175.76 176.30 1u79 s PHE 16 N -1.97 0.16 -0.25 0.00 -0.71 -0.58 -0.42 117.98 114.22 1u79 s PHE 16 Ca 0.17 -0.54 -0.12 0.00 -1.04 0.00 0.00 56.93 55.40 1u79 s PHE 16 Cb -0.06 0.33 0.09 0.00 -1.21 0.00 0.00 43.02 42.16 1u79 s PHE 16 CO 0.07 -1.02 0.58 0.00 -1.34 0.00 0.00 175.22 173.51 1u79 s ASP 18 N 2.02 6.35 0.23 0.00 -0.00 -1.26 -1.95 116.67 122.06 1u79 s ASP 18 Ca -0.08 -1.18 -0.08 0.00 -0.00 0.00 0.00 52.55 51.21 1u79 s ASP 18 Cb -0.08 -2.49 0.22 0.00 -0.00 0.00 0.00 42.92 40.57 1u79 s ASP 18 CO -0.17 -1.49 1.91 0.11 -0.00 0.00 0.00 175.17 175.53 1u79 h LYS 19 N 9.60 1.18 -3.14 8.23 1.57 -1.69 -3.40 116.57 128.91 1u79 h LYS 19 Ca -0.07 -0.07 -0.29 0.00 -1.87 0.00 0.00 60.65 58.35 1u79 h LYS 19 Cb 1.04 -0.27 -0.35 0.00 0.08 0.00 0.00 32.23 32.73 1u79 h LYS 19 CO 1.26 0.78 -0.64 0.08 -0.57 0.00 0.00 179.45 180.35 1u79 s VAL 20 N -6.12 -0.21 0.19 0.50 1.01 -0.88 -4.99 120.40 109.89 1u79 s VAL 20 Ca -0.13 0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 1u79 s VAL 20 Cb 0.17 -0.27 -0.08 0.00 0.00 0.00 0.00 36.38 36.20 1u79 s VAL 20 CO 0.80 0.14 1.01 -0.69 0.00 0.00 0.00 175.10 176.36 1u79 s VAL 21 N 2.08 4.08 1.11 2.92 1.01 -1.26 -0.38 120.40 129.95 1u79 s VAL 21 Ca 0.01 1.87 -0.13 0.00 0.00 0.00 0.00 61.98 63.74 1u79 s VAL 21 Cb -0.12 -4.20 0.25 0.00 0.00 0.00 0.00 36.38 32.32 1u79 s VAL 21 CO -0.05 0.36 1.05 -0.83 0.00 0.00 0.00 175.10 175.63 1u79 s GLY 22 N -0.46 1.56 0.00 4.51 0.00 -1.26 -4.69 107.32 106.98 1u79 s GLY 22 Ca 0.46 -0.16 0.11 0.00 0.00 0.00 0.00 44.72 45.14 1u79 s GLY 22 CO 0.33 0.52 0.67 1.58 0.00 0.00 0.00 173.10 176.20 1u79 n TYR 23 N -4.69 0.00 -2.97 1.90 4.11 -0.51 -4.87 117.16 110.13 1u79 n TYR 23 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.94 1u79 n TYR 23 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.89 1u79 n TYR 23 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1u79 n GLY 24 N 0.96 4.04 3.78 -7.48 0.00 -0.49 -4.98 105.19 101.02 1u79 n GLY 24 Ca 0.05 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.66 1u79 n GLY 24 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u79 s PRO 25 N 0.11 2.07 0.73 1.61 0.04 -1.26 -4.02 135.00 134.28 1u79 s PRO 25 Ca 0.00 0.80 -0.12 0.00 0.04 0.00 0.00 61.00 61.72 1u79 s PRO 25 Cb 0.00 -1.90 0.04 0.00 0.04 0.00 0.00 34.50 32.67 1u79 s PRO 25 CO 0.00 -1.67 1.10 -1.83 0.04 0.00 0.00 177.00 174.64 1u79 s GLU 26 N -5.05 2.44 0.38 4.56 -1.05 -1.26 -1.03 118.70 117.69 1u79 s GLU 26 Ca 0.61 1.27 -0.25 0.00 -0.15 0.00 0.00 54.97 56.45 1u79 s GLU 26 Cb -0.15 -1.91 -0.09 0.00 -0.44 0.00 0.00 34.13 31.53 1u79 s GLU 26 CO 0.55 -1.52 1.11 0.00 0.95 0.00 0.00 175.26 176.35 1u79 s ALA 27 N -2.66 3.16 -0.07 -0.84 0.00 -1.02 -4.84 121.76 115.48 1u79 s ALA 27 Ca 0.64 0.84 0.04 0.00 0.00 0.00 0.00 51.96 53.48 1u79 s ALA 27 Cb -0.19 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 1u79 s ALA 27 CO 0.50 -0.34 -0.19 0.54 0.00 0.00 0.00 175.76 176.27 1u79 s VAL 28 N -1.48 2.58 0.34 0.00 0.11 -1.26 -4.92 120.40 115.76 1u79 s VAL 28 Ca 0.55 -0.87 -0.27 0.00 -2.93 0.00 0.00 61.98 58.46 1u79 s VAL 28 Cb -0.27 -2.00 -0.13 0.00 -1.53 0.00 0.00 36.38 32.46 1u79 s VAL 28 CO 0.34 0.57 1.12 1.17 -3.33 0.00 0.00 175.10 174.97 1u79 n LYS 29 N 2.91 1.67 0.00 1.54 4.81 -1.26 -2.23 118.16 125.60 1u79 n LYS 29 Ca -0.18 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 1u79 n LYS 29 Cb 0.52 -2.09 0.00 0.00 0.02 0.00 0.00 35.03 33.49 1u79 n LYS 29 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1u79 n GLY 30 N 1.03 2.94 3.78 3.14 0.00 0.45 -5.01 105.19 111.51 1u79 n GLY 30 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1u79 n GLY 30 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1u79 s GLN 31 N -0.03 4.57 -0.30 1.61 0.74 -0.95 -4.70 119.66 120.61 1u79 s GLN 31 Ca 0.00 1.32 -0.29 0.00 0.05 0.00 0.00 55.36 56.44 1u79 s GLN 31 Cb 0.00 -2.78 0.01 0.00 1.10 0.00 0.00 33.01 31.34 1u79 s GLN 31 CO 0.00 0.27 1.06 -1.17 -0.55 0.00 0.00 175.29 174.90 1u79 s LEU 32 N -2.09 3.97 0.44 3.68 2.96 -1.26 -1.59 118.68 124.79 1u79 s LEU 32 Ca 0.50 1.11 0.03 0.00 -0.22 0.00 0.00 54.13 55.55 1u79 s LEU 32 Cb -0.18 -3.52 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 1u79 s LEU 32 CO 0.23 -0.82 0.04 0.27 -1.32 0.00 0.00 176.35 174.75 1u79 s ILE 33 N 3.53 1.17 0.04 6.68 -4.36 0.49 -0.26 121.20 128.48 1u79 s ILE 33 Ca 0.45 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.90 1u79 s ILE 33 Cb -0.13 -2.45 -0.02 0.00 1.25 0.00 0.00 42.46 41.11 1u79 s ILE 33 CO 0.13 0.00 -0.20 -0.54 0.24 0.00 0.00 174.94 174.58 1u79 s LYS 34 N -3.80 1.34 -0.24 0.37 1.02 -0.50 -1.73 119.74 116.21 1u79 s LYS 34 Ca 0.20 -0.88 -0.19 0.00 0.02 0.00 0.00 55.97 55.12 1u79 s LYS 34 Cb 0.04 -1.42 0.06 0.00 -0.52 0.00 0.00 37.83 35.99 1u79 s LYS 34 CO 0.10 0.37 0.61 0.00 -0.92 0.00 0.00 175.35 175.51 1u79 s ALA 35 N -0.76 -1.55 0.11 5.17 0.00 -0.06 -1.85 121.76 122.81 1u79 s ALA 35 Ca 0.07 1.88 -0.02 0.00 0.00 0.00 0.00 51.96 53.89 1u79 s ALA 35 Cb -0.08 -1.10 -0.05 0.00 0.00 0.00 0.00 23.12 21.89 1u79 s ALA 35 CO 0.01 -0.31 0.30 -1.01 0.00 0.00 0.00 175.76 174.75 1u79 s HIS 36 N 0.77 3.50 0.06 0.00 3.76 -0.63 -0.86 115.29 121.89 1u79 s HIS 36 Ca -0.04 0.38 -0.26 0.00 -0.15 0.00 0.00 55.06 54.99 1u79 s HIS 36 Cb -0.05 -1.87 0.08 0.00 1.11 0.00 0.00 32.58 31.86 1u79 s HIS 36 CO -0.06 0.50 0.72 1.52 -0.85 0.00 0.00 174.74 176.58 1u79 s TYR 37 N -1.61 -0.49 -0.07 1.40 -0.85 -1.26 -0.38 117.35 114.09 1u79 s TYR 37 Ca 0.38 0.41 -0.00 0.00 -0.52 0.00 0.00 57.07 57.34 1u79 s TYR 37 Cb -0.12 0.53 0.02 0.00 0.38 0.00 0.00 41.96 42.77 1u79 s TYR 37 CO 0.27 -0.70 -0.04 0.08 -1.52 0.00 0.00 175.55 173.64 1u79 s VAL 38 N -3.08 0.60 -0.12 -3.49 1.01 -0.84 -1.05 120.40 113.42 1u79 s VAL 38 Ca 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 1u79 s VAL 38 Cb -0.01 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 1u79 s VAL 38 CO -0.08 0.28 -0.01 -0.83 0.00 0.00 0.00 175.10 174.46 1u79 s GLY 39 N 1.51 1.81 0.00 4.51 0.00 0.64 -1.40 107.32 114.39 1u79 s GLY 39 Ca -0.01 -0.81 -0.08 0.00 0.00 0.00 0.00 44.72 43.82 1u79 s GLY 39 CO -0.04 -0.32 0.16 1.25 0.00 0.00 0.00 173.10 174.16 1u79 s LYS 40 N -0.28 0.52 0.62 2.90 2.20 0.91 -1.31 119.74 125.30 1u79 s LYS 40 Ca 0.06 -0.40 -0.06 0.00 -0.36 0.00 0.00 55.97 55.21 1u79 s LYS 40 Cb -0.12 0.22 0.02 0.00 -1.51 0.00 0.00 37.83 36.44 1u79 s LYS 40 CO 0.02 -0.13 0.93 -0.51 -0.36 0.00 0.00 175.35 175.30 1u79 s LEU 41 N -1.44 3.12 0.01 5.43 1.43 0.33 -0.95 118.68 126.61 1u79 s LEU 41 Ca -0.14 0.60 0.09 0.00 -1.03 0.00 0.00 54.13 53.65 1u79 s LEU 41 Cb -0.07 -3.38 0.37 0.00 0.03 0.00 0.00 46.19 43.14 1u79 s LEU 41 CO 0.01 -1.22 1.27 -0.62 0.23 0.00 0.00 176.35 176.03 1u79 n GLU 42 N -2.67 0.01 -0.08 1.70 -0.58 -1.26 -1.02 120.64 116.75 1u79 n GLU 42 Ca 0.06 0.37 0.12 0.00 -0.42 0.00 0.00 57.16 57.29 1u79 n GLU 42 Cb 0.58 -1.52 0.28 0.00 -0.57 0.00 0.00 31.44 30.21 1u79 n GLU 42 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1u79 n ASN 43 N -1.54 2.56 0.00 1.62 2.04 -1.26 -4.94 115.26 113.74 1u79 n ASN 43 Ca 0.02 -1.84 0.00 0.00 -0.44 0.00 0.00 54.58 52.32 1u79 n ASN 43 Cb 0.09 -0.10 0.00 0.00 -2.53 0.00 0.00 39.78 37.24 1u79 n ASN 43 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1u79 n GLY 44 N 1.32 0.74 3.69 4.83 0.00 -0.19 -5.05 105.19 110.53 1u79 n GLY 44 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1u79 n GLY 44 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u79 s LYS 45 N -0.85 4.30 -0.09 1.61 2.20 -1.26 -4.71 119.74 120.94 1u79 s LYS 45 Ca 0.00 1.97 -0.29 0.00 -0.36 0.00 0.00 55.97 57.29 1u79 s LYS 45 Cb 0.00 -3.52 -0.02 0.00 -1.51 0.00 0.00 37.83 32.78 1u79 s LYS 45 CO 0.00 -0.54 0.96 0.08 -0.36 0.00 0.00 175.35 175.49 1u79 s VAL 46 N 2.16 4.83 -0.55 4.02 1.01 -1.26 -0.51 120.40 130.10 1u79 s VAL 46 Ca 0.64 1.97 0.15 0.00 0.00 0.00 0.00 61.98 64.74 1u79 s VAL 46 Cb -0.32 -4.28 -0.18 0.00 0.00 0.00 0.00 36.38 31.60 1u79 s VAL 46 CO 0.27 0.06 0.57 2.22 0.00 0.00 0.00 175.10 178.22 1u79 n PHE 47 N 4.71 0.00 -3.61 5.22 -1.74 -0.43 -4.97 117.46 116.65 1u79 n PHE 47 Ca 0.07 0.00 -0.06 0.00 -0.56 0.00 0.00 57.45 56.90 1u79 n PHE 47 Cb 0.49 -0.08 -0.04 0.00 1.52 0.00 0.00 39.48 41.37 1u79 n PHE 47 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1u79 s ASP 48 N -2.74 -0.19 -0.13 5.98 2.15 -1.22 -5.02 116.67 115.50 1u79 s ASP 48 Ca 0.03 0.18 -0.29 0.00 0.43 0.00 0.00 52.55 52.89 1u79 s ASP 48 Cb 0.11 0.16 0.09 0.00 -0.30 0.00 0.00 42.92 42.98 1u79 s ASP 48 CO 0.62 -0.20 0.79 -0.94 -0.17 0.00 0.00 175.17 175.28 1u79 s SER 49 N -1.25 -0.58 0.36 -0.34 1.04 -1.26 -0.26 113.70 111.41 1u79 s SER 49 Ca 0.05 0.76 0.10 0.00 0.48 0.00 0.00 55.95 57.34 1u79 s SER 49 Cb -0.01 0.64 0.69 0.00 0.10 0.00 0.00 66.02 67.44 1u79 s SER 49 CO -0.04 -0.45 1.83 0.77 0.98 0.00 0.00 173.24 176.33 1u79 h SER 50 N 3.28 0.14 -0.33 7.02 4.64 -1.35 -2.82 113.55 124.12 1u79 h SER 50 Ca -0.25 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 1u79 h SER 50 Cb 1.15 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 1u79 h SER 50 CO 0.30 0.43 0.15 1.88 -0.87 0.00 0.00 176.83 178.72 1u79 h TYR 51 N 0.13 0.49 0.00 4.77 -1.99 -1.81 -0.44 116.97 118.11 1u79 h TYR 51 Ca 0.02 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 1u79 h TYR 51 Cb 0.58 -0.15 -0.00 0.00 2.00 0.00 0.00 36.73 39.16 1u79 h TYR 51 CO 0.01 0.43 -0.05 -0.97 -0.00 0.00 0.00 178.16 177.58 1u79 h ASN 52 N 0.40 0.00 1.05 3.88 -0.73 -1.87 -1.20 115.58 117.10 1u79 h ASN 52 Ca 0.11 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.28 1u79 h ASN 52 Cb 0.14 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.73 1u79 h ASN 52 CO -0.01 0.05 -0.39 0.54 -0.37 0.00 0.00 177.43 177.25 1u79 n ARG 53 N -4.21 0.26 -0.87 6.67 1.74 -0.72 -4.95 116.66 114.57 1u79 n ARG 53 Ca -0.03 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 1u79 n ARG 53 Cb 0.14 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 1u79 n ARG 53 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u79 n GLY 54 N 1.34 0.57 3.54 -0.13 0.00 -0.25 -5.02 105.19 105.23 1u79 n GLY 54 Ca 0.04 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1u79 n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u79 s LYS 55 N -0.16 0.77 0.77 1.61 -2.85 -0.91 -5.02 119.74 113.95 1u79 s LYS 55 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 55.97 54.86 1u79 s LYS 55 Cb 0.00 0.36 0.05 0.00 -2.06 0.00 0.00 37.83 36.18 1u79 s LYS 55 CO 0.00 -0.28 1.08 -1.25 0.10 0.00 0.00 175.35 175.00 1u79 s PRO 56 N -1.85 2.31 -0.12 1.78 0.04 -1.26 -4.59 135.00 131.31 1u79 s PRO 56 Ca -0.01 0.97 -0.24 0.00 0.04 0.00 0.00 61.00 61.76 1u79 s PRO 56 Cb -0.01 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 1u79 s PRO 56 CO -0.01 -1.54 0.73 -1.17 0.04 0.00 0.00 177.00 175.05 1u79 s LEU 57 N -5.82 4.24 -0.24 -3.56 2.96 -0.04 -4.83 118.68 111.39 1u79 s LEU 57 Ca 0.60 1.13 -0.04 0.00 -0.22 0.00 0.00 54.13 55.60 1u79 s LEU 57 Cb -0.16 -3.10 0.00 0.00 0.50 0.00 0.00 46.19 43.43 1u79 s LEU 57 CO 0.56 -0.24 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.44 1u79 s THR 58 N 1.43 3.43 0.27 3.68 2.01 -1.26 -0.89 115.64 124.31 1u79 s THR 58 Ca 0.36 -0.63 -0.18 0.00 0.31 0.00 0.00 61.69 61.55 1u79 s THR 58 Cb -0.17 -2.65 0.01 0.00 0.01 0.00 0.00 72.50 69.71 1u79 s THR 58 CO 0.15 0.30 0.64 0.72 -0.69 0.00 0.00 174.62 175.74 1u79 s PHE 59 N 1.46 -0.02 -0.18 4.92 -0.12 -0.71 -4.98 117.98 118.35 1u79 s PHE 59 Ca 0.04 -0.41 -0.12 0.00 -0.05 0.00 0.00 56.93 56.39 1u79 s PHE 59 Cb -0.15 0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 42.73 1u79 s PHE 59 CO -0.02 -1.15 0.22 1.03 -0.05 0.00 0.00 175.22 175.25 1u79 s ARG 60 N -3.95 4.22 0.30 1.99 0.52 -1.26 -0.38 118.95 120.39 1u79 s ARG 60 Ca 0.14 -0.05 -0.25 0.00 -0.52 0.00 0.00 55.73 55.06 1u79 s ARG 60 Cb -0.04 -3.44 -0.10 0.00 0.52 0.00 0.00 34.95 31.90 1u79 s ARG 60 CO 0.07 0.24 0.90 -1.50 0.02 0.00 0.00 175.30 175.03 1u79 s ILE 61 N 0.50 4.29 -1.04 1.52 1.10 -0.62 -4.20 121.20 122.74 1u79 s ILE 61 Ca 0.13 1.71 0.00 0.00 -0.51 0.00 0.00 60.65 61.98 1u79 s ILE 61 Cb -0.12 -3.98 0.00 0.00 0.15 0.00 0.00 42.46 38.51 1u79 s ILE 61 CO 0.02 0.15 0.00 0.61 -2.11 0.00 0.00 174.94 173.61 1u79 n GLY 62 N 0.58 0.90 0.05 1.50 0.00 -1.26 -0.42 105.19 106.55 1u79 n GLY 62 Ca 0.01 -0.54 0.02 0.00 0.00 0.00 0.00 46.02 45.51 1u79 n GLY 62 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1u79 n VAL 63 N -2.99 0.84 -1.34 1.61 0.24 -1.26 -4.68 118.33 110.74 1u79 n VAL 63 Ca -0.11 -0.91 0.00 0.00 -2.04 0.00 0.00 64.34 61.29 1u79 n VAL 63 Cb 0.39 0.49 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 1u79 n VAL 63 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u79 n GLY 64 N -0.51 0.51 0.08 7.63 0.00 -1.26 -4.95 105.19 106.70 1u79 n GLY 64 Ca 0.03 -0.87 0.12 0.00 0.00 0.00 0.00 46.02 45.30 1u79 n GLY 64 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1u79 h GLU 65 N 0.00 0.00 -5.04 1.61 5.08 -1.96 -3.47 114.58 110.81 1u79 h GLU 65 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1u79 h GLU 65 Cb 0.46 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.58 1u79 h GLU 65 CO 0.00 0.00 -0.52 0.14 -1.00 0.00 0.00 179.01 177.63 1u79 s VAL 66 N -3.19 0.60 0.67 3.13 -7.23 -1.26 -5.08 120.40 108.04 1u79 s VAL 66 Ca 0.06 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.06 1u79 s VAL 66 Cb 0.12 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.67 1u79 s VAL 66 CO 0.71 0.00 1.22 0.27 -0.31 0.00 0.00 175.10 176.99 1u79 s ILE 67 N -3.26 2.41 0.29 -0.62 -4.36 -1.26 -4.79 121.20 109.61 1u79 s ILE 67 Ca 0.26 0.23 0.03 0.00 -0.26 0.00 0.00 60.65 60.91 1u79 s ILE 67 Cb 0.03 -2.93 0.28 0.00 1.25 0.00 0.00 42.46 41.09 1u79 s ILE 67 CO 0.15 -0.08 1.72 0.50 0.24 0.00 0.00 174.94 177.47 1u79 h LYS 68 N 0.24 0.49 0.00 0.37 3.64 -1.88 -0.13 116.57 119.31 1u79 h LYS 68 Ca -0.49 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1u79 h LYS 68 Cb 1.30 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1u79 h LYS 68 CO 0.52 0.33 -0.00 0.78 -2.27 0.00 0.00 179.45 178.80 1u79 h GLY 69 N 0.51 0.00 0.13 5.01 0.00 -1.49 -0.16 103.07 107.06 1u79 h GLY 69 Ca 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.88 1u79 h GLY 69 CO -0.47 0.00 -0.00 1.49 0.00 0.00 0.00 176.54 177.56 1u79 h TRP 70 N 0.00 -0.00 -0.47 5.60 4.06 -1.30 0.22 115.95 124.05 1u79 h TRP 70 Ca -0.00 -0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.01 1u79 h TRP 70 Cb 0.01 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.12 1u79 h TRP 70 CO 0.00 0.85 0.17 -0.44 -3.56 0.00 0.00 178.44 175.46 1u79 h ASP 71 N -0.87 0.18 0.08 -3.49 3.45 -1.18 0.23 116.42 114.82 1u79 h ASP 71 Ca -0.00 0.05 -0.23 0.00 0.43 0.00 0.00 57.03 57.29 1u79 h ASP 71 Cb 0.86 0.04 0.01 0.00 -0.56 0.00 0.00 39.33 39.67 1u79 h ASP 71 CO 0.00 0.13 -0.87 1.56 -1.57 0.00 0.00 179.24 178.50 1u79 h GLN 72 N 0.35 0.61 0.00 3.56 4.20 -1.14 -0.17 115.11 122.51 1u79 h GLN 72 Ca 0.22 -0.57 0.00 0.00 0.06 0.00 0.00 58.65 58.37 1u79 h GLN 72 Cb 0.22 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1u79 h GLN 72 CO -0.22 1.18 0.00 0.78 -0.67 0.00 0.00 178.83 179.90 1u79 h GLY 73 N 0.82 0.00 0.00 3.46 0.00 -0.16 0.83 103.07 108.01 1u79 h GLY 73 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.90 1u79 h GLY 73 CO 0.16 0.00 -2.18 1.39 0.00 0.00 0.00 176.54 175.91 1u79 n ILE 74 N -2.50 1.16 0.12 2.60 5.41 0.78 -4.59 119.36 122.33 1u79 n ILE 74 Ca 0.03 -0.31 -0.01 0.00 1.00 0.00 0.00 62.75 63.47 1u79 n ILE 74 Cb 0.36 -1.75 0.01 0.00 -0.71 0.00 0.00 39.64 37.55 1u79 n ILE 74 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1u79 h LEU 75 N -0.71 0.00 0.00 1.39 5.85 -1.15 -1.38 115.31 119.31 1u79 h LEU 75 Ca -0.53 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1u79 h LEU 75 Cb 1.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.52 1u79 h LEU 75 CO -0.31 0.66 0.00 0.61 -0.34 0.00 0.00 178.44 179.06 1u79 n GLY 76 N 1.13 1.27 0.00 3.75 0.00 0.28 -4.08 105.19 107.55 1u79 n GLY 76 Ca 0.01 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1u79 n GLY 76 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u79 n SER 77 N -0.14 0.00 -4.68 1.61 3.41 -0.13 -4.66 113.62 109.02 1u79 n SER 77 Ca 0.00 -0.59 -0.46 0.00 -0.26 0.00 0.00 58.87 57.56 1u79 n SER 77 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1u79 n SER 77 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1u79 n ASP 78 N -0.27 3.47 0.00 4.04 9.92 -1.26 -0.46 116.55 131.99 1u79 n ASP 78 Ca 0.00 1.02 0.00 0.00 -0.53 0.00 0.00 54.79 55.28 1u79 n ASP 78 Cb 0.00 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.04 1u79 n ASP 78 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1u79 n GLY 79 N 3.97 0.73 2.83 0.44 0.00 -1.26 -4.42 105.19 107.49 1u79 n GLY 79 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1u79 n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u79 s ILE 80 N -3.11 1.06 0.58 -0.61 -1.09 0.39 -4.62 121.20 113.80 1u79 s ILE 80 Ca 0.00 -1.03 -0.16 0.00 -2.23 0.00 0.00 60.65 57.22 1u79 s ILE 80 Cb 0.00 -1.51 -0.04 0.00 -1.58 0.00 0.00 42.46 39.32 1u79 s ILE 80 CO 0.00 -0.25 1.05 -2.16 -1.23 0.00 0.00 174.94 172.35 1u79 s PRO 81 N 1.59 3.40 0.71 2.79 0.04 -1.26 -0.96 135.00 141.31 1u79 s PRO 81 Ca -0.01 1.22 -0.13 0.00 0.04 0.00 0.00 61.00 62.13 1u79 s PRO 81 Cb -0.18 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.34 1u79 s PRO 81 CO -0.10 -0.75 1.10 -2.14 0.04 0.00 0.00 177.00 175.15 1u79 s PRO 82 N -3.96 2.57 0.59 0.56 0.02 -1.26 -4.49 135.00 129.03 1u79 s PRO 82 Ca 0.64 1.26 -0.11 0.00 0.02 0.00 0.00 61.00 62.81 1u79 s PRO 82 Cb -0.16 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 1u79 s PRO 82 CO 0.34 -1.41 0.99 -1.64 -0.33 0.00 0.00 177.00 174.95 1u79 s MET 83 N -4.51 3.63 0.15 5.54 -1.94 -0.52 -4.92 119.30 116.72 1u79 s MET 83 Ca 0.64 0.69 0.09 0.00 -1.71 0.00 0.00 55.69 55.40 1u79 s MET 83 Cb -0.18 -2.13 -0.04 0.00 2.01 0.00 0.00 34.83 34.48 1u79 s MET 83 CO 0.49 -0.48 -0.13 -0.51 -0.01 0.00 0.00 175.02 174.37 1u79 s LEU 84 N -5.00 2.88 0.07 -0.03 1.43 -1.26 -2.43 118.68 114.35 1u79 s LEU 84 Ca 0.54 -0.55 -0.35 0.00 -1.03 0.00 0.00 54.13 52.74 1u79 s LEU 84 Cb -0.11 -1.64 -0.15 0.00 0.03 0.00 0.00 46.19 44.33 1u79 s LEU 84 CO 0.50 0.14 1.54 0.41 0.23 0.00 0.00 176.35 179.18 1u79 n THR 85 N 0.40 0.09 -0.57 5.49 -1.04 -0.19 -0.88 114.28 117.58 1u79 n THR 85 Ca -0.13 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 1u79 n THR 85 Cb 0.54 -1.30 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 1u79 n THR 85 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1u79 n GLY 86 N 3.27 0.74 3.91 3.41 0.00 0.42 -1.40 105.19 115.54 1u79 n GLY 86 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 1u79 n GLY 86 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u79 s GLY 87 N -1.88 1.70 -0.19 -0.02 0.00 -0.06 -4.38 107.32 102.49 1u79 s GLY 87 Ca 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 44.72 44.14 1u79 s GLY 87 CO 0.00 -0.47 -0.18 1.25 0.00 0.00 0.00 173.10 173.71 1u79 s LYS 88 N -3.94 2.98 -0.01 2.90 2.20 0.48 -1.65 119.74 122.69 1u79 s LYS 88 Ca 0.44 -0.84 0.05 0.00 -0.36 0.00 0.00 55.97 55.26 1u79 s LYS 88 Cb -0.10 -2.64 -0.01 0.00 -1.51 0.00 0.00 37.83 33.57 1u79 s LYS 88 CO 0.34 -0.23 -0.16 0.50 -0.36 0.00 0.00 175.35 175.43 1u79 s ARG 89 N 1.30 1.32 -0.19 4.03 3.52 0.12 -1.67 118.95 127.37 1u79 s ARG 89 Ca 0.04 -0.58 -0.08 0.00 -0.13 0.00 0.00 55.73 54.99 1u79 s ARG 89 Cb -0.14 -1.27 -0.04 0.00 -1.56 0.00 0.00 34.95 31.94 1u79 s ARG 89 CO -0.12 0.35 0.07 0.99 -0.81 0.00 0.00 175.30 175.78 1u79 s THR 90 N -0.37 4.82 -0.05 4.11 2.01 -0.82 0.39 115.64 125.72 1u79 s THR 90 Ca 0.06 -0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.08 1u79 s THR 90 Cb -0.06 -3.19 -0.03 0.00 0.01 0.00 0.00 72.50 69.24 1u79 s THR 90 CO -0.01 0.44 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.46 1u79 s LEU 91 N 0.52 2.72 -0.31 4.42 1.43 0.13 -2.49 118.68 125.10 1u79 s LEU 91 Ca 0.04 -0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1u79 s LEU 91 Cb -0.13 -1.55 0.06 0.00 0.03 0.00 0.00 46.19 44.60 1u79 s LEU 91 CO 0.01 0.33 0.01 -0.60 0.23 0.00 0.00 176.35 176.33 1u79 s ARG 92 N -0.67 2.36 -0.27 1.70 3.52 0.44 -1.49 118.95 124.54 1u79 s ARG 92 Ca 0.10 -1.33 -0.07 0.00 -0.13 0.00 0.00 55.73 54.31 1u79 s ARG 92 Cb -0.11 -3.20 -0.00 0.00 -1.56 0.00 0.00 34.95 30.08 1u79 s ARG 92 CO 0.01 -0.66 0.07 0.42 -0.81 0.00 0.00 175.30 174.32 1u79 s ILE 93 N 1.23 4.03 0.63 4.11 1.01 0.37 -1.12 121.20 131.46 1u79 s ILE 93 Ca -0.04 -0.51 -0.17 0.00 0.00 0.00 0.00 60.65 59.93 1u79 s ILE 93 Cb -0.20 -3.00 -0.01 0.00 0.01 0.00 0.00 42.46 39.26 1u79 s ILE 93 CO -0.02 0.19 1.16 -2.16 0.00 0.00 0.00 174.94 174.11 1u79 s PRO 94 N 1.54 2.81 0.35 2.79 0.04 -1.26 -0.98 135.00 140.29 1u79 s PRO 94 Ca 0.04 1.63 0.10 0.00 0.04 0.00 0.00 61.00 62.82 1u79 s PRO 94 Cb -0.16 -1.93 0.87 0.00 0.04 0.00 0.00 34.50 33.31 1u79 s PRO 94 CO 0.02 -1.29 1.82 -1.00 0.04 0.00 0.00 177.00 176.60 1u79 h PRO 95 N 0.42 0.62 -0.14 0.56 0.13 -1.86 -0.57 132.00 131.16 1u79 h PRO 95 Ca -0.49 -0.04 0.04 0.00 -0.87 0.00 0.00 66.00 64.65 1u79 h PRO 95 Cb 1.27 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1u79 h PRO 95 CO 0.54 0.41 0.20 1.05 -0.23 0.00 0.00 178.00 179.97 1u79 h GLU 96 N 0.64 0.00 -0.40 0.86 4.11 -1.90 0.25 114.58 118.14 1u79 h GLU 96 Ca 0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.94 1u79 h GLU 96 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1u79 h GLU 96 CO -0.27 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.09 1u79 n LEU 97 N -3.60 3.64 0.00 3.06 4.77 -0.23 -4.81 117.00 119.83 1u79 n LEU 97 Ca 0.01 -2.40 0.00 0.00 -0.03 0.00 0.00 56.01 53.58 1u79 n LEU 97 Cb 0.31 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1u79 n LEU 97 CO 0.25 0.74 0.00 0.00 -1.33 0.00 0.00 177.39 177.05 1u79 n ALA 98 N 0.37 0.00 0.30 -1.18 0.00 0.67 -1.17 120.51 119.50 1u79 n ALA 98 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.74 1u79 n ALA 98 Cb 0.67 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.33 1u79 n ALA 98 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1u79 n TYR 99 N 0.00 0.48 -4.79 0.00 4.02 -1.18 -4.82 117.16 110.86 1u79 n TYR 99 Ca 0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 57.90 57.64 1u79 n TYR 99 Cb 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1u79 n TYR 99 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1u79 n GLY 100 N 1.46 0.69 1.10 2.72 0.00 0.01 -3.04 105.19 108.13 1u79 n GLY 100 Ca 0.19 -0.75 -0.03 0.00 0.00 0.00 0.00 46.02 45.44 1u79 n GLY 100 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1u79 n ASP 101 N -2.22 2.73 -4.33 1.61 5.75 -1.26 -0.70 116.55 118.14 1u79 n ASP 101 Ca 0.00 -2.31 -0.32 0.00 -0.01 0.00 0.00 54.79 52.15 1u79 n ASP 101 Cb 0.00 -0.56 -0.15 0.00 -1.03 0.00 0.00 41.12 39.37 1u79 n ASP 101 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1u79 s ARG 102 N -1.04 2.66 0.62 0.11 3.52 -1.17 -4.58 118.95 119.08 1u79 s ARG 102 Ca 0.13 -0.83 -0.17 0.00 -0.13 0.00 0.00 55.73 54.74 1u79 s ARG 102 Cb 0.11 -2.28 -0.02 0.00 -1.56 0.00 0.00 34.95 31.20 1u79 s ARG 102 CO 0.03 0.41 1.14 0.20 -0.81 0.00 0.00 175.30 176.27 1u79 s GLY 103 N -0.22 2.40 0.11 8.12 0.00 -1.26 -4.27 107.32 112.20 1u79 s GLY 103 Ca -0.01 0.73 0.06 0.00 0.00 0.00 0.00 44.72 45.50 1u79 s GLY 103 CO 0.03 1.10 -0.14 0.00 0.00 0.00 0.00 173.10 174.09 1u79 s ALA 104 N -2.02 1.42 -1.09 3.20 0.00 0.10 -4.78 121.76 118.59 1u79 s ALA 104 Ca 0.71 -1.21 -0.06 0.00 0.00 0.00 0.00 51.96 51.39 1u79 s ALA 104 Cb -0.24 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.80 1u79 s ALA 104 CO 0.36 0.13 0.95 0.41 0.00 0.00 0.00 175.76 177.61 1u79 n GLY 105 N 0.75 -0.26 3.87 0.00 0.00 -1.26 -0.62 105.19 107.68 1u79 n GLY 105 Ca -0.17 0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 1u79 n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u79 s LYS 107 N -2.91 0.41 -0.72 0.00 2.20 -0.13 -4.98 119.74 113.61 1u79 s LYS 107 Ca 0.48 0.49 -0.07 0.00 -0.36 0.00 0.00 55.97 56.51 1u79 s LYS 107 Cb -0.11 -0.25 0.01 0.00 -1.51 0.00 0.00 37.83 35.97 1u79 s LYS 107 CO 0.21 -0.77 0.64 0.41 -0.36 0.00 0.00 175.35 175.48 1u79 n GLY 108 N 5.37 -1.08 2.72 5.54 0.00 -1.26 -3.11 105.19 113.37 1u79 n GLY 108 Ca -0.02 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1u79 n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u79 n GLY 109 N -1.37 2.32 3.59 -0.02 0.00 -1.26 -5.00 105.19 103.45 1u79 n GLY 109 Ca -0.17 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 1u79 n GLY 109 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u79 s SER 110 N 0.21 4.88 0.02 1.61 1.04 -1.18 -5.12 113.70 115.17 1u79 s SER 110 Ca 0.00 -0.01 0.08 0.00 0.48 0.00 0.00 55.95 56.51 1u79 s SER 110 Cb 0.00 -1.46 -0.03 0.00 0.10 0.00 0.00 66.02 64.63 1u79 s SER 110 CO 0.00 0.30 -0.23 0.00 0.98 0.00 0.00 173.24 174.29 1u79 h LEU 112 N 4.90 0.47 -7.64 0.00 5.85 -0.47 -3.39 115.31 115.02 1u79 h LEU 112 Ca -0.46 -0.12 -0.58 0.00 0.84 0.00 0.00 57.88 57.56 1u79 h LEU 112 Cb 1.14 -0.12 -0.38 0.00 0.37 0.00 0.00 40.66 41.67 1u79 h LEU 112 CO 0.46 0.63 -0.79 -0.63 -0.34 0.00 0.00 178.44 177.76 1u79 s ILE 113 N -4.72 1.29 0.74 4.05 1.01 0.21 -4.91 121.20 118.87 1u79 s ILE 113 Ca -0.07 -0.83 -0.13 0.00 0.00 0.00 0.00 60.65 59.62 1u79 s ILE 113 Cb 0.15 -1.48 0.05 0.00 0.01 0.00 0.00 42.46 41.19 1u79 s ILE 113 CO 0.77 0.07 1.13 -2.84 0.00 0.00 0.00 174.94 174.08 1u79 s PRO 114 N 1.54 2.24 0.85 2.79 0.02 -1.26 0.01 135.00 141.20 1u79 s PRO 114 Ca -0.01 1.43 -0.12 0.00 0.02 0.00 0.00 61.00 62.31 1u79 s PRO 114 Cb -0.16 -1.88 0.10 0.00 0.02 0.00 0.00 34.50 32.57 1u79 s PRO 114 CO -0.08 -1.69 1.10 -0.35 -0.33 0.00 0.00 177.00 175.66 1u79 n PRO 115 N -3.06 -0.05 -2.76 5.54 -0.04 -1.26 -3.11 135.00 130.26 1u79 n PRO 115 Ca 0.11 0.06 -0.20 0.00 -0.04 0.00 0.00 63.50 63.43 1u79 n PRO 115 Cb 0.52 -2.35 0.01 0.00 -0.04 0.00 0.00 33.50 31.63 1u79 n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u79 n ALA 116 N -3.58 -0.84 -2.51 0.55 0.00 0.13 -4.91 120.51 109.34 1u79 n ALA 116 Ca 0.12 0.19 -0.38 0.00 0.00 0.00 0.00 53.44 53.37 1u79 n ALA 116 Cb 0.51 -2.79 -0.06 0.00 0.00 0.00 0.00 19.45 17.11 1u79 n ALA 116 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1u79 s SER 117 N -2.38 6.87 0.03 0.00 0.01 -1.18 -4.77 113.70 112.28 1u79 s SER 117 Ca 0.16 1.03 -0.27 0.00 1.31 0.00 0.00 55.95 58.19 1u79 s SER 117 Cb -0.08 -2.31 -0.05 0.00 0.21 0.00 0.00 66.02 63.79 1u79 s SER 117 CO 0.20 0.17 0.83 -0.69 0.41 0.00 0.00 173.24 174.16 1u79 s VAL 118 N -0.38 4.76 -0.05 3.43 1.01 -1.26 -3.66 120.40 124.25 1u79 s VAL 118 Ca 0.27 1.76 0.00 0.00 0.00 0.00 0.00 61.98 64.01 1u79 s VAL 118 Cb -0.17 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 1u79 s VAL 118 CO 0.15 0.30 -0.02 -0.76 0.00 0.00 0.00 175.10 174.77 1u79 s LEU 119 N 0.26 3.43 -0.18 3.92 1.43 -0.15 -4.24 118.68 123.16 1u79 s LEU 119 Ca 0.42 0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.55 1u79 s LEU 119 Cb -0.21 -1.85 -0.00 0.00 0.03 0.00 0.00 46.19 44.16 1u79 s LEU 119 CO 0.24 0.34 -0.11 -0.76 0.23 0.00 0.00 176.35 176.29 1u79 s LEU 120 N -1.11 2.64 -0.02 1.79 1.43 -0.13 -0.48 118.68 122.81 1u79 s LEU 120 Ca 0.15 -0.44 0.06 0.00 -1.03 0.00 0.00 54.13 52.87 1u79 s LEU 120 Cb -0.11 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 1u79 s LEU 120 CO 0.05 0.04 -0.19 -0.36 0.23 0.00 0.00 176.35 176.12 1u79 s PHE 121 N 1.07 1.75 -0.35 0.29 0.40 -0.56 -0.07 117.98 120.51 1u79 s PHE 121 Ca -0.00 -0.36 -0.08 0.00 -0.60 0.00 0.00 56.93 55.90 1u79 s PHE 121 Cb -0.15 -1.13 0.04 0.00 0.51 0.00 0.00 43.02 42.29 1u79 s PHE 121 CO -0.03 -0.05 0.14 -0.51 0.70 0.00 0.00 175.22 175.47 1u79 s ASP 122 N -0.39 5.44 -0.17 1.36 1.11 -0.49 0.21 116.67 123.74 1u79 s ASP 122 Ca 0.06 -1.12 -0.05 0.00 0.18 0.00 0.00 52.55 51.62 1u79 s ASP 122 Cb -0.08 -1.91 -0.03 0.00 1.07 0.00 0.00 42.92 41.96 1u79 s ASP 122 CO -0.00 -0.35 0.00 -0.63 1.18 0.00 0.00 175.17 175.37 1u79 s ILE 123 N 1.44 4.20 -0.41 0.77 -1.09 0.16 -1.99 121.20 124.29 1u79 s ILE 123 Ca -0.01 -0.24 -0.05 0.00 -2.23 0.00 0.00 60.65 58.12 1u79 s ILE 123 Cb -0.20 -2.87 0.10 0.00 -1.58 0.00 0.00 42.46 37.91 1u79 s ILE 123 CO 0.04 0.47 0.21 -1.61 -1.23 0.00 0.00 174.94 172.82 1u79 s GLU 124 N 0.44 2.28 -0.75 2.79 0.41 0.49 -0.70 118.70 123.67 1u79 s GLU 124 Ca -0.01 -1.64 -0.27 0.00 -0.41 0.00 0.00 54.97 52.64 1u79 s GLU 124 Cb -0.14 -3.63 0.03 0.00 -1.78 0.00 0.00 34.13 28.61 1u79 s GLU 124 CO 0.02 -1.00 1.31 -0.47 -0.49 0.00 0.00 175.26 174.63 1u79 s TYR 125 N 1.26 2.27 0.12 1.61 6.04 -0.66 -1.60 117.35 126.39 1u79 s TYR 125 Ca 0.05 -0.05 -0.15 0.00 0.04 0.00 0.00 57.07 56.96 1u79 s TYR 125 Cb -0.23 -4.61 -0.02 0.00 -1.04 0.00 0.00 41.96 36.06 1u79 s TYR 125 CO -0.02 -2.08 1.58 0.82 -1.54 0.00 0.00 175.55 174.31 1u79 h ILE 126 N 6.09 1.25 0.00 3.14 2.04 -1.67 0.12 117.51 128.48 1u79 h ILE 126 Ca -0.26 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.65 1u79 h ILE 126 Cb 1.05 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1u79 h ILE 126 CO 1.28 0.32 0.00 0.61 0.00 0.00 0.00 178.15 180.37 1u79 n GLY 127 N -0.41 0.98 3.77 5.37 0.00 -1.22 -3.95 105.19 109.72 1u79 n GLY 127 Ca -0.01 -1.89 -0.39 0.00 0.00 0.00 0.00 46.02 43.73 1u79 n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u79 s LYS 128 N -1.99 3.83 0.00 1.61 1.02 -1.26 -1.40 119.74 121.54 1u79 s LYS 128 Ca 0.00 2.21 0.26 0.00 0.02 0.00 0.00 55.97 58.46 1u79 s LYS 128 Cb 0.00 -2.68 1.52 0.00 -0.52 0.00 0.00 37.83 36.15 1u79 s LYS 128 CO 0.00 -0.63 1.88 0.00 -0.92 0.00 0.00 175.35 175.68