#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 0.00 0.00 0.00 1.02 -1.26 -4.87 120.64 115.53 1u79 n GLU 6 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1u79 n GLU 6 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1u79 n GLU 6 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1u79 n PHE 7 N 0.00 0.00 -2.55 -0.32 -0.00 -1.26 -5.02 117.46 108.32 1u79 n PHE 7 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.02 1u79 n PHE 7 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.48 39.46 1u79 n PHE 7 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1u79 s SER 8 N 1.18 6.84 -0.26 -2.13 0.15 -0.48 -4.85 113.70 114.13 1u79 s SER 8 Ca 0.00 1.14 -0.10 0.00 0.70 0.00 0.00 55.95 57.68 1u79 s SER 8 Cb 0.00 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.72 1u79 s SER 8 CO 0.00 -0.95 0.17 -0.69 1.20 0.00 0.00 173.24 172.97 1u79 s VAL 9 N 3.91 5.21 0.82 4.45 1.01 -1.26 -1.46 120.40 133.07 1u79 s VAL 9 Ca 0.50 0.13 -0.12 0.00 0.00 0.00 0.00 61.98 62.49 1u79 s VAL 9 Cb -0.14 -3.46 0.09 0.00 0.00 0.00 0.00 36.38 32.86 1u79 s VAL 9 CO 0.18 0.29 1.17 -0.94 0.00 0.00 0.00 175.10 175.80 1u79 s SER 10 N 1.54 4.40 0.56 3.32 1.04 0.11 -4.90 113.70 119.76 1u79 s SER 10 Ca 0.07 0.83 0.28 0.00 0.48 0.00 0.00 55.95 57.61 1u79 s SER 10 Cb -0.15 -1.35 1.47 0.00 0.10 0.00 0.00 66.02 66.09 1u79 s SER 10 CO 0.08 -1.98 1.96 -0.65 0.98 0.00 0.00 173.24 173.63 1u79 h PRO 11 N -1.11 0.00 -0.01 4.02 0.11 -1.87 -0.76 132.00 132.40 1u79 h PRO 11 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1u79 h PRO 11 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1u79 h PRO 11 CO 0.65 0.00 -0.31 -1.13 -0.21 0.00 0.00 178.00 177.00 1u79 n SER 12 N -4.05 0.87 0.00 -2.05 3.41 -1.26 -4.93 113.62 105.61 1u79 n SER 12 Ca 0.09 -0.71 0.00 0.00 -0.26 0.00 0.00 58.87 57.99 1u79 n SER 12 Cb 0.64 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 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 1.38 2.80 3.71 5.00 0.00 -0.29 -4.93 105.19 112.86 1u79 n GLY 13 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 0.16 0.99 2.96 -1.26 -4.57 118.68 121.33 1u79 s LEU 14 Ca 0.00 2.53 0.07 0.00 -0.22 0.00 0.00 54.13 56.52 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 -0.79 -0.16 0.00 -1.32 0.00 0.00 176.35 174.07 1u79 s ALA 15 N 1.32 1.84 0.22 5.97 0.00 -0.70 -0.71 121.76 129.69 1u79 s ALA 15 Ca 0.69 -1.46 -0.13 0.00 0.00 0.00 0.00 51.96 51.07 1u79 s ALA 15 Cb -0.42 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.57 1u79 s ALA 15 CO 0.31 0.16 0.45 -0.59 0.00 0.00 0.00 175.76 176.09 1u79 s PHE 16 N -2.26 0.28 -0.26 0.00 -0.71 -0.54 -0.63 117.98 113.87 1u79 s PHE 16 Ca 0.15 -0.64 -0.06 0.00 -1.04 0.00 0.00 56.93 55.34 1u79 s PHE 16 Cb -0.04 0.18 0.13 0.00 -1.21 0.00 0.00 43.02 42.08 1u79 s PHE 16 CO 0.05 -0.93 0.53 0.00 -1.34 0.00 0.00 175.22 173.53 1u79 s ASP 18 N 2.75 6.24 0.15 0.00 -0.00 -1.26 -1.59 116.67 122.96 1u79 s ASP 18 Ca 0.05 -0.23 -0.12 0.00 -0.00 0.00 0.00 52.55 52.25 1u79 s ASP 18 Cb -0.13 -2.56 0.01 0.00 -0.00 0.00 0.00 42.92 40.24 1u79 s ASP 18 CO -0.17 -1.73 1.58 0.11 -0.00 0.00 0.00 175.17 174.95 1u79 h LYS 19 N 10.01 0.88 -3.14 8.23 1.79 -1.51 -3.41 116.57 129.41 1u79 h LYS 19 Ca -0.27 -0.31 -0.35 0.00 -2.18 0.00 0.00 60.65 57.54 1u79 h LYS 19 Cb 1.06 -0.06 -0.38 0.00 -1.58 0.00 0.00 32.23 31.26 1u79 h LYS 19 CO 1.25 0.95 -0.69 0.08 -1.08 0.00 0.00 179.45 179.95 1u79 s VAL 20 N -4.90 -0.18 0.19 0.50 1.01 -0.73 -4.97 120.40 111.32 1u79 s VAL 20 Ca -0.12 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 1u79 s VAL 20 Cb 0.11 -0.30 -0.08 0.00 0.00 0.00 0.00 36.38 36.12 1u79 s VAL 20 CO 0.83 0.08 1.08 -0.69 0.00 0.00 0.00 175.10 176.40 1u79 s VAL 21 N 2.22 3.88 1.12 2.92 1.01 -1.26 -0.04 120.40 130.25 1u79 s VAL 21 Ca 0.04 1.65 -0.13 0.00 0.00 0.00 0.00 61.98 63.55 1u79 s VAL 21 Cb -0.13 -4.05 0.26 0.00 0.00 0.00 0.00 36.38 32.46 1u79 s VAL 21 CO -0.05 0.30 1.05 -0.83 0.00 0.00 0.00 175.10 175.56 1u79 s GLY 22 N -0.22 1.56 0.00 4.51 0.00 -1.26 -4.68 107.32 107.22 1u79 s GLY 22 Ca 0.48 -0.13 0.08 0.00 0.00 0.00 0.00 44.72 45.15 1u79 s GLY 22 CO 0.35 0.55 0.46 1.58 0.00 0.00 0.00 173.10 176.04 1u79 n TYR 23 N -4.73 0.00 -2.43 1.90 0.18 -0.50 -4.86 117.16 106.71 1u79 n TYR 23 Ca 0.04 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.82 1u79 n TYR 23 Cb 0.55 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.51 1u79 n TYR 23 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1u79 n GLY 24 N 0.97 4.45 3.91 -7.48 0.00 -0.77 -4.99 105.19 101.29 1u79 n GLY 24 Ca 0.03 -2.04 -0.27 0.00 0.00 0.00 0.00 46.02 43.74 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 2.15 2.09 0.68 1.61 0.04 -1.26 -4.11 135.00 136.19 1u79 s PRO 25 Ca 0.00 -0.06 -0.14 0.00 0.04 0.00 0.00 61.00 60.84 1u79 s PRO 25 Cb 0.00 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.50 1u79 s PRO 25 CO 0.00 -1.42 1.10 -1.21 0.04 0.00 0.00 177.00 175.51 1u79 s GLU 26 N -5.42 2.72 0.54 4.56 2.02 -1.26 -1.01 118.70 120.86 1u79 s GLU 26 Ca 0.61 1.28 -0.17 0.00 0.02 0.00 0.00 54.97 56.71 1u79 s GLU 26 Cb -0.11 -1.95 -0.06 0.00 0.10 0.00 0.00 34.13 32.11 1u79 s GLU 26 CO 0.47 -1.29 1.03 0.00 0.02 0.00 0.00 175.26 175.48 1u79 s ALA 27 N -2.55 2.88 -0.11 5.21 0.00 -1.25 -4.88 121.76 121.06 1u79 s ALA 27 Ca 0.64 0.38 0.02 0.00 0.00 0.00 0.00 51.96 53.00 1u79 s ALA 27 Cb -0.19 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 1u79 s ALA 27 CO 0.46 -0.49 -0.16 0.54 0.00 0.00 0.00 175.76 176.10 1u79 s VAL 28 N -2.39 2.77 0.13 0.00 0.11 -1.26 -4.97 120.40 114.80 1u79 s VAL 28 Ca 0.63 -0.78 -0.35 0.00 -2.93 0.00 0.00 61.98 58.55 1u79 s VAL 28 Cb -0.14 -2.12 -0.16 0.00 -1.53 0.00 0.00 36.38 32.43 1u79 s VAL 28 CO 0.30 0.54 1.28 1.17 -3.33 0.00 0.00 175.10 175.07 1u79 n LYS 29 N 3.30 1.21 0.00 1.54 4.81 -1.26 -1.23 118.16 126.53 1u79 n LYS 29 Ca -0.18 0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 1u79 n LYS 29 Cb 0.53 -2.03 0.00 0.00 0.02 0.00 0.00 35.03 33.55 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 2.36 3.29 3.77 3.14 0.00 0.90 -5.01 105.19 113.64 1u79 n GLY 30 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.58 3.50 -0.37 1.61 0.74 -0.36 -4.63 119.66 119.57 1u79 s GLN 31 Ca 0.00 1.64 -0.24 0.00 0.05 0.00 0.00 55.36 56.81 1u79 s GLN 31 Cb 0.00 -2.12 0.01 0.00 1.10 0.00 0.00 33.01 32.00 1u79 s GLN 31 CO 0.00 -0.73 0.81 -1.17 -0.55 0.00 0.00 175.29 173.65 1u79 s LEU 32 N -3.56 4.11 0.44 3.68 2.96 -1.26 -1.87 118.68 123.18 1u79 s LEU 32 Ca 0.70 0.36 0.06 0.00 -0.22 0.00 0.00 54.13 55.03 1u79 s LEU 32 Cb -0.25 -3.07 -0.04 0.00 0.50 0.00 0.00 46.19 43.33 1u79 s LEU 32 CO 0.28 -0.77 0.14 0.27 -1.32 0.00 0.00 176.35 174.95 1u79 s ILE 33 N 3.19 1.98 -0.05 6.68 -4.36 0.34 -1.64 121.20 127.36 1u79 s ILE 33 Ca 0.33 -1.78 0.03 0.00 -0.26 0.00 0.00 60.65 58.96 1u79 s ILE 33 Cb -0.13 -2.77 0.00 0.00 1.25 0.00 0.00 42.46 40.82 1u79 s ILE 33 CO 0.18 0.00 -0.14 -0.75 0.24 0.00 0.00 174.94 174.47 1u79 s LYS 34 N -3.90 1.57 -0.06 0.37 2.20 -0.19 -1.23 119.74 118.49 1u79 s LYS 34 Ca 0.33 -0.47 -0.09 0.00 -0.36 0.00 0.00 55.97 55.38 1u79 s LYS 34 Cb 0.04 -1.35 0.02 0.00 -1.51 0.00 0.00 37.83 35.03 1u79 s LYS 34 CO 0.18 0.14 0.23 0.00 -0.36 0.00 0.00 175.35 175.54 1u79 s ALA 35 N 0.29 -0.56 0.19 3.13 0.00 -0.18 -1.47 121.76 123.16 1u79 s ALA 35 Ca -0.07 0.45 0.05 0.00 0.00 0.00 0.00 51.96 52.39 1u79 s ALA 35 Cb -0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1u79 s ALA 35 CO 0.02 -0.15 0.22 -1.01 0.00 0.00 0.00 175.76 174.84 1u79 s HIS 36 N -0.39 3.26 0.02 0.00 3.76 -0.59 -0.15 115.29 121.21 1u79 s HIS 36 Ca -0.05 -0.01 -0.28 0.00 -0.15 0.00 0.00 55.06 54.57 1u79 s HIS 36 Cb -0.03 -1.53 0.10 0.00 1.11 0.00 0.00 32.58 32.22 1u79 s HIS 36 CO 0.01 0.51 0.97 1.52 -0.85 0.00 0.00 174.74 176.90 1u79 s TYR 37 N -1.88 -0.24 -0.04 1.40 -0.85 -1.26 -0.89 117.35 113.59 1u79 s TYR 37 Ca 0.33 0.07 -0.02 0.00 -0.52 0.00 0.00 57.07 56.93 1u79 s TYR 37 Cb -0.10 0.57 0.03 0.00 0.38 0.00 0.00 41.96 42.84 1u79 s TYR 37 CO 0.26 -0.57 0.07 0.08 -1.52 0.00 0.00 175.55 173.87 1u79 s VAL 38 N -3.04 -0.10 -0.09 -3.49 1.01 -0.92 -1.20 120.40 112.57 1u79 s VAL 38 Ca 0.08 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.37 1u79 s VAL 38 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.19 1u79 s VAL 38 CO -0.05 0.12 -0.11 -0.83 0.00 0.00 0.00 175.10 174.24 1u79 s GLY 39 N 1.60 1.60 0.08 4.51 0.00 0.83 -1.19 107.32 114.75 1u79 s GLY 39 Ca -0.03 -0.91 -0.06 0.00 0.00 0.00 0.00 44.72 43.72 1u79 s GLY 39 CO -0.04 -0.52 0.11 -1.59 0.00 0.00 0.00 173.10 171.06 1u79 s LYS 40 N -0.37 0.79 0.76 2.90 -2.85 0.11 -1.38 119.74 119.69 1u79 s LYS 40 Ca 0.05 -1.09 -0.07 0.00 -1.00 0.00 0.00 55.97 53.85 1u79 s LYS 40 Cb -0.12 0.29 0.10 0.00 -2.06 0.00 0.00 37.83 36.04 1u79 s LYS 40 CO 0.02 -0.22 1.07 -0.51 0.10 0.00 0.00 175.35 175.81 1u79 s LEU 41 N -2.90 2.84 0.00 2.77 1.43 0.32 -1.26 118.68 121.88 1u79 s LEU 41 Ca 0.08 0.23 0.14 0.00 -1.03 0.00 0.00 54.13 53.55 1u79 s LEU 41 Cb 0.06 -2.70 0.62 0.00 0.03 0.00 0.00 46.19 44.20 1u79 s LEU 41 CO -0.09 -1.88 1.45 -0.62 0.23 0.00 0.00 176.35 175.44 1u79 n GLU 42 N -3.07 0.01 -0.05 1.70 -0.58 -1.26 -1.65 120.64 115.75 1u79 n GLU 42 Ca 0.11 0.25 0.12 0.00 -0.42 0.00 0.00 57.16 57.22 1u79 n GLU 42 Cb 0.60 -1.50 0.31 0.00 -0.57 0.00 0.00 31.44 30.28 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 -1.49 2.33 0.00 1.62 6.94 -1.26 -4.93 115.26 118.48 1u79 n ASN 43 Ca 0.04 -1.78 0.00 0.00 -0.02 0.00 0.00 54.58 52.81 1u79 n ASN 43 Cb 0.16 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 1u79 n ASN 43 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1u79 n GLY 44 N 1.28 0.67 3.67 4.83 0.00 -0.66 -5.05 105.19 109.94 1u79 n GLY 44 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.74 4.24 -0.22 1.61 2.20 -1.26 -4.74 119.74 120.82 1u79 s LYS 45 Ca 0.00 1.88 -0.28 0.00 -0.36 0.00 0.00 55.97 57.20 1u79 s LYS 45 Cb 0.00 -3.78 0.01 0.00 -1.51 0.00 0.00 37.83 32.55 1u79 s LYS 45 CO 0.00 -0.70 1.01 0.08 -0.36 0.00 0.00 175.35 175.37 1u79 s VAL 46 N 3.35 4.71 -0.77 4.02 1.01 -1.26 -0.52 120.40 130.95 1u79 s VAL 46 Ca 0.62 1.96 0.20 0.00 0.00 0.00 0.00 61.98 64.76 1u79 s VAL 46 Cb -0.27 -4.28 -0.24 0.00 0.00 0.00 0.00 36.38 31.59 1u79 s VAL 46 CO 0.22 -0.15 0.77 2.22 0.00 0.00 0.00 175.10 178.16 1u79 n PHE 47 N 6.18 0.00 -3.61 5.22 1.16 -0.48 -4.98 117.46 120.95 1u79 n PHE 47 Ca 0.11 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.64 1u79 n PHE 47 Cb 0.46 -0.09 -0.04 0.00 -1.61 0.00 0.00 39.48 38.21 1u79 n PHE 47 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1u79 s ASP 48 N -3.16 -0.17 -0.07 5.98 2.15 -1.21 -5.02 116.67 115.18 1u79 s ASP 48 Ca 0.05 0.12 -0.29 0.00 0.43 0.00 0.00 52.55 52.86 1u79 s ASP 48 Cb 0.15 0.15 0.11 0.00 -0.30 0.00 0.00 42.92 43.02 1u79 s ASP 48 CO 0.82 -0.20 0.88 -0.94 -0.17 0.00 0.00 175.17 175.57 1u79 s SER 49 N -1.46 -0.43 0.22 -0.34 1.04 -1.26 -0.12 113.70 111.35 1u79 s SER 49 Ca 0.06 0.28 -0.01 0.00 0.48 0.00 0.00 55.95 56.76 1u79 s SER 49 Cb -0.01 0.39 0.20 0.00 0.10 0.00 0.00 66.02 66.70 1u79 s SER 49 CO -0.04 -0.53 1.57 0.77 0.98 0.00 0.00 173.24 175.99 1u79 h SER 50 N 2.39 0.57 -0.74 7.02 4.64 -1.41 -2.98 113.55 123.05 1u79 h SER 50 Ca -0.22 -0.27 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 1u79 h SER 50 Cb 1.20 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 63.09 1u79 h SER 50 CO 0.33 0.95 0.43 1.88 -0.87 0.00 0.00 176.83 179.55 1u79 h TYR 51 N 0.43 0.99 0.00 4.77 -1.99 -1.80 0.14 116.97 119.51 1u79 h TYR 51 Ca 0.03 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 1u79 h TYR 51 Cb 0.96 -0.32 -0.00 0.00 2.00 0.00 0.00 36.73 39.37 1u79 h TYR 51 CO 0.04 0.68 -0.09 -0.97 -0.00 0.00 0.00 178.16 177.82 1u79 h ASN 52 N 1.02 0.00 0.38 3.88 -1.24 -1.89 -1.05 115.58 116.67 1u79 h ASN 52 Ca 0.26 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.27 1u79 h ASN 52 Cb -0.01 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.04 1u79 h ASN 52 CO -0.05 0.09 -0.50 0.54 -1.29 0.00 0.00 177.43 176.22 1u79 n ARG 53 N -4.33 0.21 -1.06 6.67 1.74 -0.48 -4.96 116.66 114.45 1u79 n ARG 53 Ca -0.03 -0.13 -0.02 0.00 -0.77 0.00 0.00 57.85 56.90 1u79 n ARG 53 Cb 0.16 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.10 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 1.46 0.54 3.53 -0.13 0.00 0.37 -5.00 105.19 105.96 1u79 n GLY 54 Ca 0.07 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.27 0.96 0.77 1.61 -2.85 -0.89 -5.01 119.74 113.06 1u79 s LYS 55 Ca 0.00 0.16 -0.11 0.00 -1.00 0.00 0.00 55.97 55.02 1u79 s LYS 55 Cb 0.00 0.45 0.05 0.00 -2.06 0.00 0.00 37.83 36.28 1u79 s LYS 55 CO 0.00 -0.31 1.09 -1.25 0.10 0.00 0.00 175.35 174.97 1u79 s PRO 56 N -1.42 2.29 -0.16 1.78 0.04 -1.26 -4.56 135.00 131.70 1u79 s PRO 56 Ca -0.07 0.71 -0.21 0.00 0.04 0.00 0.00 61.00 61.47 1u79 s PRO 56 Cb -0.00 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 1u79 s PRO 56 CO 0.06 -1.50 0.63 -1.17 0.04 0.00 0.00 177.00 175.06 1u79 s LEU 57 N -5.72 4.19 -0.26 -3.56 2.96 0.79 -4.86 118.68 112.23 1u79 s LEU 57 Ca 0.60 0.91 -0.07 0.00 -0.22 0.00 0.00 54.13 55.36 1u79 s LEU 57 Cb -0.14 -2.92 -0.01 0.00 0.50 0.00 0.00 46.19 43.62 1u79 s LEU 57 CO 0.54 -0.21 0.06 -0.89 -1.32 0.00 0.00 176.35 174.53 1u79 s THR 58 N 1.55 4.08 0.22 3.68 2.01 -1.26 -1.01 115.64 124.90 1u79 s THR 58 Ca 0.30 -0.40 -0.15 0.00 0.31 0.00 0.00 61.69 61.76 1u79 s THR 58 Cb -0.16 -2.97 0.01 0.00 0.01 0.00 0.00 72.50 69.39 1u79 s THR 58 CO 0.12 0.26 0.48 0.72 -0.69 0.00 0.00 174.62 175.50 1u79 s PHE 59 N 1.56 0.14 -0.11 4.92 -0.12 -0.37 -4.97 117.98 119.03 1u79 s PHE 59 Ca 0.05 -0.51 -0.24 0.00 -0.05 0.00 0.00 56.93 56.18 1u79 s PHE 59 Cb -0.16 0.26 -0.03 0.00 -0.63 0.00 0.00 43.02 42.47 1u79 s PHE 59 CO 0.02 -0.94 0.75 1.03 -0.05 0.00 0.00 175.22 176.04 1u79 s ARG 60 N -3.95 4.37 0.03 1.99 1.81 -1.26 -0.50 118.95 121.44 1u79 s ARG 60 Ca 0.16 0.92 -0.11 0.00 -1.72 0.00 0.00 55.73 54.98 1u79 s ARG 60 Cb -0.01 -3.51 -0.06 0.00 -0.45 0.00 0.00 34.95 30.93 1u79 s ARG 60 CO 0.03 -0.12 0.37 -1.50 -0.68 0.00 0.00 175.30 173.40 1u79 s ILE 61 N 1.42 5.12 -0.03 1.52 1.10 -0.78 -4.40 121.20 125.15 1u79 s ILE 61 Ca 0.37 0.54 0.00 0.00 -0.51 0.00 0.00 60.65 61.06 1u79 s ILE 61 Cb -0.17 -3.64 0.00 0.00 0.15 0.00 0.00 42.46 38.79 1u79 s ILE 61 CO 0.16 0.42 0.00 0.61 -2.11 0.00 0.00 174.94 174.02 1u79 n GLY 62 N 1.32 0.40 0.33 1.50 0.00 -1.26 -0.07 105.19 107.40 1u79 n GLY 62 Ca -0.11 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.76 1.84 -1.73 1.61 0.24 -1.26 -4.75 118.33 111.52 1u79 n VAL 63 Ca -0.00 -2.45 -0.05 0.00 -2.04 0.00 0.00 64.34 59.81 1u79 n VAL 63 Cb 0.13 -0.16 -0.01 0.00 -1.47 0.00 0.00 33.84 32.33 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 -1.19 0.39 0.99 7.63 0.00 -1.26 -4.94 105.19 106.81 1u79 n GLY 64 Ca 0.16 -0.76 0.12 0.00 0.00 0.00 0.00 46.02 45.54 1u79 n GLY 64 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u79 n GLU 65 N -1.98 2.31 -4.23 1.61 1.02 -1.26 -4.91 120.64 113.19 1u79 n GLU 65 Ca -0.05 -2.01 -0.13 0.00 -0.02 0.00 0.00 57.16 54.95 1u79 n GLU 65 Cb 0.39 -1.46 -0.10 0.00 -0.02 0.00 0.00 31.44 30.25 1u79 n GLU 65 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1u79 s VAL 66 N -1.79 0.22 0.61 2.62 -7.23 -1.26 -5.01 120.40 108.56 1u79 s VAL 66 Ca 0.30 -1.98 -0.19 0.00 -1.81 0.00 0.00 61.98 58.30 1u79 s VAL 66 Cb 0.20 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 1u79 s VAL 66 CO 0.30 -0.11 1.22 2.30 -0.31 0.00 0.00 175.10 178.50 1u79 n ILE 67 N -0.29 4.38 -0.31 -0.62 -5.35 -1.26 -4.74 119.36 111.17 1u79 n ILE 67 Ca -0.00 -0.50 0.14 0.00 -0.27 0.00 0.00 62.75 62.12 1u79 n ILE 67 Cb 0.65 -1.44 0.32 0.00 -1.74 0.00 0.00 39.64 37.43 1u79 n ILE 67 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1u79 h LYS 68 N 0.73 0.35 -0.00 6.28 3.64 -1.84 0.19 116.57 125.92 1u79 h LYS 68 Ca -0.50 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1u79 h LYS 68 Cb 1.34 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1u79 h LYS 68 CO 0.53 0.23 0.00 0.78 -2.27 0.00 0.00 179.45 178.73 1u79 h GLY 69 N 0.36 0.00 0.62 5.01 0.00 -0.78 -1.56 103.07 106.73 1u79 h GLY 69 Ca 0.57 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.76 1u79 h GLY 69 CO -0.56 0.00 -0.59 1.49 0.00 0.00 0.00 176.54 176.88 1u79 h TRP 70 N 0.00 0.47 -0.18 5.60 4.06 -0.87 0.58 115.95 125.62 1u79 h TRP 70 Ca 0.00 -0.30 0.02 0.00 2.06 0.00 0.00 58.89 60.67 1u79 h TRP 70 Cb 0.01 -0.04 -0.02 0.00 -1.00 0.00 0.00 29.16 28.12 1u79 h TRP 70 CO 0.00 1.18 0.06 -0.44 -3.56 0.00 0.00 178.44 175.68 1u79 h ASP 71 N -0.36 0.08 0.09 -3.49 3.32 -1.28 -0.78 116.42 114.00 1u79 h ASP 71 Ca -0.09 0.02 -0.18 0.00 0.02 0.00 0.00 57.03 56.79 1u79 h ASP 71 Cb 1.39 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.94 1u79 h ASP 71 CO 0.11 0.07 -0.67 1.56 -1.72 0.00 0.00 179.24 178.60 1u79 h GLN 72 N 0.15 0.53 0.00 3.56 4.20 -1.40 -0.30 115.11 121.86 1u79 h GLN 72 Ca 0.08 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1u79 h GLN 72 Cb 0.04 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1u79 h GLN 72 CO -0.07 1.02 0.00 0.78 -0.67 0.00 0.00 178.83 179.88 1u79 h GLY 73 N 1.07 0.00 0.00 3.46 0.00 -0.63 0.15 103.07 107.12 1u79 h GLY 73 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.04 1u79 h GLY 73 CO 0.12 0.00 -1.96 1.39 0.00 0.00 0.00 176.54 176.09 1u79 n ILE 74 N -2.61 0.95 0.15 2.60 5.41 -0.32 -4.58 119.36 120.96 1u79 n ILE 74 Ca 0.02 -0.28 0.05 0.00 1.00 0.00 0.00 62.75 63.54 1u79 n ILE 74 Cb 0.31 -1.50 0.05 0.00 -0.71 0.00 0.00 39.64 37.79 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 -0.40 0.00 0.00 1.39 5.85 -1.16 -0.01 115.31 120.98 1u79 h LEU 75 Ca -0.41 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1u79 h LEU 75 Cb 1.45 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.48 1u79 h LEU 75 CO -0.19 0.37 0.00 0.61 -0.34 0.00 0.00 178.44 178.89 1u79 n GLY 76 N 1.21 0.86 0.00 3.75 0.00 0.51 -4.17 105.19 107.35 1u79 n GLY 76 Ca 0.01 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.52 0.00 -4.69 1.61 3.41 -0.36 -4.66 113.62 108.42 1u79 n SER 77 Ca 0.00 -0.41 -0.43 0.00 -0.26 0.00 0.00 58.87 57.77 1u79 n SER 77 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 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 3.95 0.00 4.04 9.92 -1.26 -1.08 116.55 131.85 1u79 n ASP 78 Ca 0.00 0.98 0.00 0.00 -0.53 0.00 0.00 54.79 55.24 1u79 n ASP 78 Cb 0.00 -1.52 0.00 0.00 -0.64 0.00 0.00 41.12 38.96 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 4.22 0.93 2.86 0.44 0.00 -1.26 -4.43 105.19 107.96 1u79 n GLY 79 Ca 0.18 0.00 -0.28 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 -3.61 1.04 0.51 -0.61 1.01 -0.24 -4.58 121.20 114.73 1u79 s ILE 80 Ca 0.00 -0.72 -0.19 0.00 0.00 0.00 0.00 60.65 59.75 1u79 s ILE 80 Cb 0.00 -1.32 -0.07 0.00 0.01 0.00 0.00 42.46 41.08 1u79 s ILE 80 CO 0.00 0.00 1.02 -2.16 0.00 0.00 0.00 174.94 173.81 1u79 s PRO 81 N 1.64 3.74 0.77 2.79 0.04 -1.26 -1.22 135.00 141.50 1u79 s PRO 81 Ca -0.01 1.23 -0.11 0.00 0.04 0.00 0.00 61.00 62.14 1u79 s PRO 81 Cb -0.16 -2.09 0.06 0.00 0.04 0.00 0.00 34.50 32.34 1u79 s PRO 81 CO -0.07 -0.46 1.10 -1.25 0.04 0.00 0.00 177.00 176.36 1u79 s PRO 82 N -3.59 2.21 0.56 0.56 0.04 -1.26 -4.54 135.00 128.98 1u79 s PRO 82 Ca 0.64 1.24 -0.11 0.00 0.04 0.00 0.00 61.00 62.81 1u79 s PRO 82 Cb -0.14 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 1u79 s PRO 82 CO 0.25 -1.69 0.96 -1.64 0.04 0.00 0.00 177.00 174.92 1u79 s MET 83 N -4.77 3.66 0.15 4.56 -1.94 -0.02 -4.95 119.30 115.99 1u79 s MET 83 Ca 0.63 0.66 0.09 0.00 -1.71 0.00 0.00 55.69 55.36 1u79 s MET 83 Cb -0.18 -2.17 -0.04 0.00 2.01 0.00 0.00 34.83 34.45 1u79 s MET 83 CO 0.54 -0.41 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.47 1u79 s LEU 84 N -4.82 2.73 0.05 -0.03 1.43 -1.26 -3.87 118.68 112.91 1u79 s LEU 84 Ca 0.54 -0.62 -0.37 0.00 -1.03 0.00 0.00 54.13 52.65 1u79 s LEU 84 Cb -0.11 -1.51 -0.17 0.00 0.03 0.00 0.00 46.19 44.43 1u79 s LEU 84 CO 0.47 0.15 1.36 0.41 0.23 0.00 0.00 176.35 178.97 1u79 n THR 85 N 0.48 0.03 -0.57 5.49 -1.04 -0.18 -1.05 114.28 117.44 1u79 n THR 85 Ca -0.14 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 1u79 n THR 85 Cb 0.54 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 68.24 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 2.63 0.77 3.91 3.41 0.00 0.13 -1.42 105.19 114.63 1u79 n GLY 86 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.63 1.59 -0.11 -0.02 0.00 -0.21 -4.44 107.32 102.50 1u79 s GLY 87 Ca 0.00 -0.57 0.01 0.00 0.00 0.00 0.00 44.72 44.16 1u79 s GLY 87 CO 0.00 -0.30 -0.12 1.25 0.00 0.00 0.00 173.10 173.93 1u79 s LYS 88 N -5.00 1.87 0.02 2.90 2.20 0.95 -1.81 119.74 120.87 1u79 s LYS 88 Ca 0.53 -0.42 0.02 0.00 -0.36 0.00 0.00 55.97 55.75 1u79 s LYS 88 Cb -0.11 -1.71 -0.01 0.00 -1.51 0.00 0.00 37.83 34.49 1u79 s LYS 88 CO 0.47 -0.15 -0.07 0.50 -0.36 0.00 0.00 175.35 175.74 1u79 s ARG 89 N 1.26 0.54 -0.14 4.03 3.52 -0.14 -1.17 118.95 126.85 1u79 s ARG 89 Ca -0.02 -0.47 -0.05 0.00 -0.13 0.00 0.00 55.73 55.06 1u79 s ARG 89 Cb -0.14 -0.44 -0.04 0.00 -1.56 0.00 0.00 34.95 32.77 1u79 s ARG 89 CO -0.04 0.11 0.03 0.99 -0.81 0.00 0.00 175.30 175.58 1u79 s THR 90 N -0.68 4.55 0.03 4.11 2.01 -0.62 0.35 115.64 125.40 1u79 s THR 90 Ca -0.02 -0.14 0.08 0.00 0.31 0.00 0.00 61.69 61.92 1u79 s THR 90 Cb -0.06 -2.99 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 1u79 s THR 90 CO 0.00 0.53 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.47 1u79 s LEU 91 N -0.19 2.30 -0.26 4.42 1.43 -0.03 -1.48 118.68 124.88 1u79 s LEU 91 Ca 0.06 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1u79 s LEU 91 Cb -0.12 -1.37 0.05 0.00 0.03 0.00 0.00 46.19 44.77 1u79 s LEU 91 CO 0.02 0.27 -0.09 -0.60 0.23 0.00 0.00 176.35 176.18 1u79 s ARG 92 N -1.18 2.50 -0.27 1.70 3.52 0.20 -1.56 118.95 123.85 1u79 s ARG 92 Ca 0.12 -1.19 -0.06 0.00 -0.13 0.00 0.00 55.73 54.48 1u79 s ARG 92 Cb -0.10 -2.94 0.00 0.00 -1.56 0.00 0.00 34.95 30.36 1u79 s ARG 92 CO 0.02 -0.50 0.04 0.42 -0.81 0.00 0.00 175.30 174.48 1u79 s ILE 93 N 1.20 3.78 0.67 4.11 1.01 0.15 -1.72 121.20 130.40 1u79 s ILE 93 Ca -0.05 -0.65 -0.16 0.00 0.00 0.00 0.00 60.65 59.79 1u79 s ILE 93 Cb -0.18 -2.89 0.01 0.00 0.01 0.00 0.00 42.46 39.40 1u79 s ILE 93 CO -0.05 0.17 1.20 -2.16 0.00 0.00 0.00 174.94 174.10 1u79 s PRO 94 N 1.49 2.53 0.45 2.79 0.04 -1.26 -0.76 135.00 140.27 1u79 s PRO 94 Ca 0.03 1.75 0.21 0.00 0.04 0.00 0.00 61.00 63.03 1u79 s PRO 94 Cb -0.16 -1.88 1.19 0.00 0.04 0.00 0.00 34.50 33.68 1u79 s PRO 94 CO 0.01 -1.53 1.86 -1.00 0.04 0.00 0.00 177.00 176.38 1u79 h PRO 95 N 0.19 0.29 0.00 0.56 0.13 -1.86 -0.74 132.00 130.58 1u79 h PRO 95 Ca -0.49 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1u79 h PRO 95 Cb 1.29 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1u79 h PRO 95 CO 0.52 0.19 -0.00 0.93 -0.23 0.00 0.00 178.00 179.41 1u79 h GLU 96 N 0.30 0.00 -0.35 0.86 5.08 -1.90 0.36 114.58 118.93 1u79 h GLU 96 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1u79 h GLU 96 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1u79 h GLU 96 CO -0.14 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.15 1u79 n LEU 97 N -3.45 3.69 0.00 1.33 4.77 -0.29 -4.77 117.00 118.28 1u79 n LEU 97 Ca -0.03 -2.55 0.00 0.00 -0.03 0.00 0.00 56.01 53.40 1u79 n LEU 97 Cb 0.08 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1u79 n LEU 97 CO 0.24 0.71 0.00 0.00 -1.33 0.00 0.00 177.39 177.01 1u79 n ALA 98 N 0.13 0.00 0.21 -1.18 0.00 -0.19 -0.02 120.51 119.46 1u79 n ALA 98 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.72 1u79 n ALA 98 Cb 0.72 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.34 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 0.40 -4.68 0.00 4.01 -1.15 -4.74 117.16 111.00 1u79 n TYR 99 Ca 0.00 -0.26 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 1u79 n TYR 99 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 1u79 n TYR 99 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u79 n GLY 100 N 1.11 0.51 0.00 2.72 0.00 0.11 -3.41 105.19 106.22 1u79 n GLY 100 Ca 0.15 -0.80 0.12 0.00 0.00 0.00 0.00 46.02 45.48 1u79 n GLY 100 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1u79 n ASP 101 N -1.77 0.00 -4.91 1.61 8.00 -1.26 -1.31 116.55 116.90 1u79 n ASP 101 Ca 0.00 -0.47 -0.28 0.00 0.71 0.00 0.00 54.79 54.76 1u79 n ASP 101 Cb 0.00 -0.11 -0.04 0.00 -0.02 0.00 0.00 41.12 40.95 1u79 n ASP 101 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1u79 s ARG 102 N -2.22 3.35 0.86 -1.24 0.52 -1.22 -3.88 118.95 115.13 1u79 s ARG 102 Ca 0.30 -0.59 -0.12 0.00 -0.52 0.00 0.00 55.73 54.80 1u79 s ARG 102 Cb 0.16 -2.94 0.11 0.00 0.52 0.00 0.00 34.95 32.80 1u79 s ARG 102 CO 0.30 0.54 1.13 0.20 0.02 0.00 0.00 175.30 177.50 1u79 s GLY 103 N -2.99 1.59 0.07 -3.53 0.00 -1.26 -4.23 107.32 96.97 1u79 s GLY 103 Ca 0.34 -0.47 -0.07 0.00 0.00 0.00 0.00 44.72 44.52 1u79 s GLY 103 CO 0.27 0.04 0.14 0.00 0.00 0.00 0.00 173.10 173.55 1u79 s ALA 104 N -3.31 -0.09 -0.98 3.20 0.00 0.18 -4.88 121.76 115.89 1u79 s ALA 104 Ca 0.63 -0.65 -0.04 0.00 0.00 0.00 0.00 51.96 51.89 1u79 s ALA 104 Cb -0.14 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.36 1u79 s ALA 104 CO 0.53 -0.43 0.84 0.41 0.00 0.00 0.00 175.76 177.10 1u79 n GLY 105 N 0.23 -0.18 3.71 0.00 0.00 -1.26 -1.71 105.19 105.98 1u79 n GLY 105 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 1u79 n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u79 n LYS 107 N 2.69 0.41 0.00 0.00 4.76 -1.05 -4.94 118.16 120.04 1u79 n LYS 107 Ca -0.18 -1.56 0.00 0.00 -2.87 0.00 0.00 58.31 53.70 1u79 n LYS 107 Cb 0.53 -0.93 0.00 0.00 -1.84 0.00 0.00 35.03 32.80 1u79 n LYS 107 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1u79 n GLY 108 N 2.60 -0.36 0.97 0.72 0.00 -1.26 -4.78 105.19 103.08 1u79 n GLY 108 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.74 3.01 -0.02 0.00 -1.26 -5.05 105.19 102.61 1u79 n GLY 109 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1u79 n GLY 109 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u79 s SER 110 N -2.58 0.87 0.03 1.61 0.15 -1.26 -5.16 113.70 107.36 1u79 s SER 110 Ca 0.00 -0.21 0.06 0.00 0.70 0.00 0.00 55.95 56.50 1u79 s SER 110 Cb 0.00 -0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.21 1u79 s SER 110 CO 0.00 0.04 -0.13 0.00 1.20 0.00 0.00 173.24 174.35 1u79 h LEU 112 N 4.47 0.00 -7.77 0.00 3.38 -1.02 -3.40 115.31 110.97 1u79 h LEU 112 Ca -0.48 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 56.85 1u79 h LEU 112 Cb 1.16 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.53 1u79 h LEU 112 CO 0.50 0.70 -0.79 -0.63 0.09 0.00 0.00 178.44 178.31 1u79 s ILE 113 N -3.39 1.91 0.78 1.22 1.01 -0.70 -4.89 121.20 117.14 1u79 s ILE 113 Ca -0.01 -1.49 -0.12 0.00 0.00 0.00 0.00 60.65 59.04 1u79 s ILE 113 Cb 0.12 -2.09 0.06 0.00 0.01 0.00 0.00 42.46 40.56 1u79 s ILE 113 CO 0.77 -0.08 1.13 -2.84 0.00 0.00 0.00 174.94 173.92 1u79 s PRO 114 N 1.22 2.04 0.66 2.79 0.02 -1.26 -0.64 135.00 139.82 1u79 s PRO 114 Ca -0.07 1.39 -0.17 0.00 0.02 0.00 0.00 61.00 62.17 1u79 s PRO 114 Cb -0.20 -1.86 -0.03 0.00 0.02 0.00 0.00 34.50 32.44 1u79 s PRO 114 CO -0.06 -1.84 0.92 -2.30 -0.33 0.00 0.00 177.00 173.40 1u79 n PRO 115 N -3.36 0.68 -3.55 5.54 -0.02 -1.26 -3.27 135.00 129.76 1u79 n PRO 115 Ca 0.11 0.28 -0.26 0.00 -2.02 0.00 0.00 63.50 61.61 1u79 n PRO 115 Cb 0.52 -2.16 0.04 0.00 -0.02 0.00 0.00 33.50 31.88 1u79 n PRO 115 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u79 n ALA 116 N -2.11 -1.19 -2.62 3.55 0.00 -0.43 -4.92 120.51 112.80 1u79 n ALA 116 Ca 0.13 0.27 -0.38 0.00 0.00 0.00 0.00 53.44 53.46 1u79 n ALA 116 Cb 0.48 -4.45 -0.06 0.00 0.00 0.00 0.00 19.45 15.42 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 -3.09 6.68 0.16 0.00 0.01 -1.20 -4.79 113.70 111.46 1u79 s SER 117 Ca 0.53 0.81 -0.28 0.00 1.31 0.00 0.00 55.95 58.32 1u79 s SER 117 Cb -0.25 -2.20 -0.07 0.00 0.21 0.00 0.00 66.02 63.71 1u79 s SER 117 CO 0.65 0.34 0.86 -0.69 0.41 0.00 0.00 173.24 174.82 1u79 s VAL 118 N -1.01 4.36 -0.05 3.43 1.01 -1.26 -3.43 120.40 123.46 1u79 s VAL 118 Ca 0.21 1.89 0.02 0.00 0.00 0.00 0.00 61.98 64.10 1u79 s VAL 118 Cb -0.15 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 1u79 s VAL 118 CO 0.10 0.45 -0.10 -0.76 0.00 0.00 0.00 175.10 174.79 1u79 s LEU 119 N -0.73 2.97 -0.16 3.92 1.43 0.06 -4.35 118.68 121.81 1u79 s LEU 119 Ca 0.40 -0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.37 1u79 s LEU 119 Cb -0.24 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 1u79 s LEU 119 CO 0.28 0.34 -0.12 -0.76 0.23 0.00 0.00 176.35 176.32 1u79 s LEU 120 N -0.88 2.64 0.01 1.79 1.43 -0.39 0.32 118.68 123.59 1u79 s LEU 120 Ca 0.13 -0.41 0.05 0.00 -1.03 0.00 0.00 54.13 52.87 1u79 s LEU 120 Cb -0.11 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 1u79 s LEU 120 CO 0.02 0.08 -0.17 -0.36 0.23 0.00 0.00 176.35 176.16 1u79 s PHE 121 N 0.83 1.48 -0.28 0.29 0.40 -0.60 0.09 117.98 120.19 1u79 s PHE 121 Ca -0.04 -0.31 -0.08 0.00 -0.60 0.00 0.00 56.93 55.91 1u79 s PHE 121 Cb -0.15 -0.93 -0.01 0.00 0.51 0.00 0.00 43.02 42.44 1u79 s PHE 121 CO 0.00 0.01 0.09 0.34 0.70 0.00 0.00 175.22 176.36 1u79 s ASP 122 N -0.65 5.22 -0.15 1.36 -1.08 -0.33 -0.85 116.67 120.19 1u79 s ASP 122 Ca 0.06 -0.47 -0.02 0.00 -0.52 0.00 0.00 52.55 51.60 1u79 s ASP 122 Cb -0.07 -1.93 -0.02 0.00 -1.46 0.00 0.00 42.92 39.45 1u79 s ASP 122 CO 0.00 -0.13 -0.09 -0.63 0.52 0.00 0.00 175.17 174.84 1u79 s ILE 123 N 1.57 3.30 -0.39 4.11 1.01 0.16 -2.16 121.20 128.80 1u79 s ILE 123 Ca 0.05 -0.56 -0.05 0.00 0.00 0.00 0.00 60.65 60.08 1u79 s ILE 123 Cb -0.16 -2.43 0.09 0.00 0.01 0.00 0.00 42.46 39.97 1u79 s ILE 123 CO 0.04 0.50 0.19 -1.61 0.00 0.00 0.00 174.94 174.06 1u79 s GLU 124 N 0.59 2.32 -0.71 2.79 2.02 -0.07 -0.97 118.70 124.67 1u79 s GLU 124 Ca -0.06 -1.58 -0.27 0.00 0.02 0.00 0.00 54.97 53.08 1u79 s GLU 124 Cb -0.15 -3.59 0.03 0.00 0.10 0.00 0.00 34.13 30.52 1u79 s GLU 124 CO 0.03 -0.95 1.26 -0.47 0.02 0.00 0.00 175.26 175.15 1u79 s TYR 125 N 1.28 2.34 -0.03 1.61 6.04 -0.75 -1.54 117.35 126.30 1u79 s TYR 125 Ca 0.04 0.00 -0.25 0.00 0.04 0.00 0.00 57.07 56.89 1u79 s TYR 125 Cb -0.22 -4.60 -0.20 0.00 -1.04 0.00 0.00 41.96 35.90 1u79 s TYR 125 CO -0.01 -2.00 1.21 0.82 -1.54 0.00 0.00 175.55 174.03 1u79 h ILE 126 N 6.05 1.30 0.00 3.14 1.08 -1.56 0.38 117.51 127.90 1u79 h ILE 126 Ca -0.28 -1.14 0.00 0.00 -0.39 0.00 0.00 64.86 63.05 1u79 h ILE 126 Cb 1.05 2.05 0.00 0.00 -3.07 0.00 0.00 36.82 36.85 1u79 h ILE 126 CO 1.26 0.29 0.00 0.61 -0.69 0.00 0.00 178.15 179.62 1u79 n GLY 127 N 0.27 -0.15 3.77 5.37 0.00 -1.19 -3.79 105.19 109.46 1u79 n GLY 127 Ca -0.09 -1.41 -0.36 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.00 3.56 0.00 1.61 1.02 -1.26 -1.02 119.74 121.65 1u79 s LYS 128 Ca 0.00 1.76 0.31 0.00 0.02 0.00 0.00 55.97 58.05 1u79 s LYS 128 Cb 0.00 -2.25 1.64 0.00 -0.52 0.00 0.00 37.83 36.69 1u79 s LYS 128 CO 0.00 -0.71 2.08 0.00 -0.92 0.00 0.00 175.35 175.79