#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u79 s GLU 6 N 0.00 4.01 0.48 0.00 2.56 -1.26 -5.01 118.70 119.48 1u79 s GLU 6 Ca 0.00 0.96 -0.21 0.00 0.00 0.00 0.00 54.97 55.72 1u79 s GLU 6 Cb 0.00 -3.76 -0.08 0.00 2.00 0.00 0.00 34.13 32.29 1u79 s GLU 6 CO 0.00 -0.96 1.10 -0.06 -0.56 0.00 0.00 175.26 174.78 1u79 s PHE 7 N 3.72 2.92 -0.22 5.30 0.40 -1.26 -4.70 117.98 124.13 1u79 s PHE 7 Ca 0.45 1.57 -0.07 0.00 -0.60 0.00 0.00 56.93 58.28 1u79 s PHE 7 Cb -0.12 -3.22 -0.03 0.00 0.51 0.00 0.00 43.02 40.17 1u79 s PHE 7 CO 0.17 -1.18 0.05 0.45 0.70 0.00 0.00 175.22 175.41 1u79 s SER 8 N -1.70 5.14 -0.27 1.36 0.15 0.16 -4.91 113.70 113.63 1u79 s SER 8 Ca 0.66 -0.14 -0.10 0.00 0.70 0.00 0.00 55.95 57.07 1u79 s SER 8 Cb -0.22 -1.90 -0.04 0.00 -1.71 0.00 0.00 66.02 62.15 1u79 s SER 8 CO 0.27 0.04 0.14 -0.69 1.20 0.00 0.00 173.24 174.20 1u79 s VAL 9 N 1.14 4.87 0.78 4.45 1.01 -1.26 -1.50 120.40 129.90 1u79 s VAL 9 Ca 0.04 -0.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 1u79 s VAL 9 Cb -0.14 -3.33 0.06 0.00 0.00 0.00 0.00 36.38 32.97 1u79 s VAL 9 CO 0.03 0.26 1.16 -0.94 0.00 0.00 0.00 175.10 175.61 1u79 s SER 10 N 1.69 4.76 0.50 3.32 1.04 -0.80 -4.92 113.70 119.30 1u79 s SER 10 Ca 0.07 0.87 0.28 0.00 0.48 0.00 0.00 55.95 57.65 1u79 s SER 10 Cb -0.16 -1.45 1.38 0.00 0.10 0.00 0.00 66.02 65.89 1u79 s SER 10 CO 0.08 -1.75 1.87 -0.65 0.98 0.00 0.00 173.24 173.77 1u79 h PRO 11 N -0.95 0.10 -0.00 4.02 0.11 -1.87 -1.17 132.00 132.24 1u79 h PRO 11 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1u79 h PRO 11 Cb 1.31 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1u79 h PRO 11 CO 0.65 0.07 -0.26 -1.13 -0.21 0.00 0.00 178.00 177.13 1u79 n SER 12 N -4.34 0.37 0.00 -2.05 3.41 -1.26 -4.92 113.62 104.83 1u79 n SER 12 Ca 0.19 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1u79 n SER 12 Cb 0.91 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 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 1.45 3.19 3.67 5.00 0.00 -0.44 -4.94 105.19 113.12 1u79 n GLY 13 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 0.21 0.99 2.96 -1.26 -4.61 118.68 121.34 1u79 s LEU 14 Ca 0.00 2.49 0.12 0.00 -0.22 0.00 0.00 54.13 56.52 1u79 s LEU 14 Cb 0.00 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.10 1u79 s LEU 14 CO 0.00 -0.95 -0.23 0.00 -1.32 0.00 0.00 176.35 173.85 1u79 s ALA 15 N 3.54 2.58 0.20 5.97 0.00 -0.50 -1.90 121.76 131.65 1u79 s ALA 15 Ca 0.78 -1.70 -0.12 0.00 0.00 0.00 0.00 51.96 50.93 1u79 s ALA 15 Cb -0.39 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.42 1u79 s ALA 15 CO 0.34 0.39 0.39 -0.59 0.00 0.00 0.00 175.76 176.29 1u79 s PHE 16 N -1.88 0.31 -0.18 0.00 -0.71 -0.56 -0.87 117.98 114.09 1u79 s PHE 16 Ca 0.23 -0.67 -0.10 0.00 -1.04 0.00 0.00 56.93 55.36 1u79 s PHE 16 Cb -0.07 0.09 0.07 0.00 -1.21 0.00 0.00 43.02 41.89 1u79 s PHE 16 CO 0.11 -0.84 0.44 0.00 -1.34 0.00 0.00 175.22 173.59 1u79 s ASP 18 N 1.58 6.33 0.28 0.00 1.01 -1.26 -1.49 116.67 123.13 1u79 s ASP 18 Ca -0.09 -1.44 -0.02 0.00 0.71 0.00 0.00 52.55 51.71 1u79 s ASP 18 Cb -0.09 -2.39 0.40 0.00 1.01 0.00 0.00 42.92 41.85 1u79 s ASP 18 CO -0.13 -1.25 1.90 0.11 0.21 0.00 0.00 175.17 176.00 1u79 h LYS 19 N 9.24 1.00 -3.08 8.23 1.57 -1.64 -3.40 116.57 128.49 1u79 h LYS 19 Ca -0.13 -0.12 -0.32 0.00 -1.87 0.00 0.00 60.65 58.20 1u79 h LYS 19 Cb 1.06 -0.19 -0.37 0.00 0.08 0.00 0.00 32.23 32.81 1u79 h LYS 19 CO 1.14 0.76 -0.66 0.08 -0.57 0.00 0.00 179.45 180.20 1u79 s VAL 20 N -5.62 -0.23 0.14 0.50 1.01 -0.77 -4.98 120.40 110.45 1u79 s VAL 20 Ca -0.11 0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 1u79 s VAL 20 Cb 0.17 -0.32 -0.07 0.00 0.00 0.00 0.00 36.38 36.16 1u79 s VAL 20 CO 0.80 0.10 1.17 -0.69 0.00 0.00 0.00 175.10 176.47 1u79 s VAL 21 N 2.26 3.83 1.06 2.92 1.01 -1.26 -0.48 120.40 129.74 1u79 s VAL 21 Ca 0.04 1.46 -0.12 0.00 0.00 0.00 0.00 61.98 63.36 1u79 s VAL 21 Cb -0.13 -3.93 0.20 0.00 0.00 0.00 0.00 36.38 32.52 1u79 s VAL 21 CO -0.06 0.20 0.94 0.61 0.00 0.00 0.00 175.10 176.78 1u79 n GLY 22 N 2.52 -1.42 0.00 4.51 0.00 -1.26 -4.70 105.19 104.84 1u79 n GLY 22 Ca 0.05 -0.93 0.06 0.00 0.00 0.00 0.00 46.02 45.20 1u79 n GLY 22 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1u79 n TYR 23 N -4.55 0.00 -2.40 1.61 0.18 -0.39 -4.87 117.16 106.74 1u79 n TYR 23 Ca 0.07 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.85 1u79 n TYR 23 Cb 0.54 -0.04 0.00 0.00 -0.38 0.00 0.00 39.34 39.45 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 1.36 3.66 3.79 -7.48 0.00 -0.65 -4.99 105.19 100.89 1u79 n GLY 24 Ca 0.02 -2.05 -0.31 0.00 0.00 0.00 0.00 46.02 43.68 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 2.00 2.55 0.75 1.61 0.04 -1.26 -4.10 135.00 136.60 1u79 s PRO 25 Ca 0.00 1.13 -0.11 0.00 0.04 0.00 0.00 61.00 62.06 1u79 s PRO 25 Cb 0.00 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.65 1u79 s PRO 25 CO 0.00 -1.41 1.09 -1.83 0.04 0.00 0.00 177.00 174.89 1u79 s GLU 26 N -4.84 2.39 0.49 4.56 -1.05 -1.26 -0.84 118.70 118.15 1u79 s GLU 26 Ca 0.61 1.16 -0.23 0.00 -0.15 0.00 0.00 54.97 56.36 1u79 s GLU 26 Cb -0.16 -1.91 -0.06 0.00 -0.44 0.00 0.00 34.13 31.55 1u79 s GLU 26 CO 0.54 -1.54 1.26 0.00 0.95 0.00 0.00 175.26 176.47 1u79 s ALA 27 N -2.88 2.93 -0.07 -0.84 0.00 -0.83 -4.82 121.76 115.24 1u79 s ALA 27 Ca 0.61 1.13 0.05 0.00 0.00 0.00 0.00 51.96 53.75 1u79 s ALA 27 Cb -0.17 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.47 1u79 s ALA 27 CO 0.55 -0.98 -0.22 0.14 0.00 0.00 0.00 175.76 175.25 1u79 s VAL 28 N -1.42 2.35 -0.04 0.00 -7.23 -1.26 -4.95 120.40 107.85 1u79 s VAL 28 Ca 0.66 -0.95 -0.36 0.00 -1.81 0.00 0.00 61.98 59.52 1u79 s VAL 28 Cb -0.34 -1.89 -0.15 0.00 0.56 0.00 0.00 36.38 34.56 1u79 s VAL 28 CO 0.41 0.57 1.62 1.17 -0.31 0.00 0.00 175.10 178.56 1u79 n LYS 29 N 3.01 1.59 -0.47 4.82 0.00 -1.26 -2.08 118.16 123.77 1u79 n LYS 29 Ca -0.18 0.58 0.00 0.00 0.00 0.00 0.00 58.31 58.71 1u79 n LYS 29 Cb 0.52 -2.30 0.00 0.00 0.00 0.00 0.00 35.03 33.25 1u79 n LYS 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1u79 n GLY 30 N 3.59 1.10 3.81 3.14 0.00 0.42 -5.03 105.19 112.22 1u79 n GLY 30 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.37 4.29 -0.24 1.61 0.74 -0.88 -4.75 119.66 120.07 1u79 s GLN 31 Ca 0.00 0.96 -0.27 0.00 0.05 0.00 0.00 55.36 56.10 1u79 s GLN 31 Cb 0.00 -2.76 0.00 0.00 1.10 0.00 0.00 33.01 31.35 1u79 s GLN 31 CO 0.00 0.31 0.96 -1.17 -0.55 0.00 0.00 175.29 174.84 1u79 s LEU 32 N -2.19 4.09 0.35 3.68 2.96 -1.26 -1.84 118.68 124.47 1u79 s LEU 32 Ca 0.47 1.24 0.05 0.00 -0.22 0.00 0.00 54.13 55.67 1u79 s LEU 32 Cb -0.16 -3.40 -0.07 0.00 0.50 0.00 0.00 46.19 43.07 1u79 s LEU 32 CO 0.21 -0.61 0.05 0.27 -1.32 0.00 0.00 176.35 174.94 1u79 s ILE 33 N 3.06 1.39 -0.04 6.68 -4.36 0.33 -0.47 121.20 127.79 1u79 s ILE 33 Ca 0.40 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.86 1u79 s ILE 33 Cb -0.15 -2.84 -0.02 0.00 1.25 0.00 0.00 42.46 40.70 1u79 s ILE 33 CO 0.07 0.00 -0.26 -0.54 0.24 0.00 0.00 174.94 174.45 1u79 s LYS 34 N -3.85 2.32 -0.12 0.37 1.02 0.07 -1.68 119.74 117.87 1u79 s LYS 34 Ca 0.36 -0.92 -0.09 0.00 0.02 0.00 0.00 55.97 55.34 1u79 s LYS 34 Cb 0.09 -2.10 0.04 0.00 -0.52 0.00 0.00 37.83 35.34 1u79 s LYS 34 CO 0.16 0.47 0.31 0.00 -0.92 0.00 0.00 175.35 175.37 1u79 s ALA 35 N -0.39 -0.75 0.21 5.17 0.00 -0.61 -1.87 121.76 123.52 1u79 s ALA 35 Ca 0.03 1.00 -0.02 0.00 0.00 0.00 0.00 51.96 52.97 1u79 s ALA 35 Cb -0.12 -0.60 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 1u79 s ALA 35 CO 0.01 -0.18 0.42 -1.01 0.00 0.00 0.00 175.76 175.01 1u79 s HIS 36 N 0.64 3.48 0.06 0.00 3.76 -0.53 -0.43 115.29 122.28 1u79 s HIS 36 Ca -0.04 0.43 -0.26 0.00 -0.15 0.00 0.00 55.06 55.04 1u79 s HIS 36 Cb -0.05 -1.92 0.09 0.00 1.11 0.00 0.00 32.58 31.80 1u79 s HIS 36 CO -0.04 0.35 0.79 1.52 -0.85 0.00 0.00 174.74 176.50 1u79 s TYR 37 N -1.88 -0.40 -0.06 1.40 1.13 -1.26 -1.11 117.35 115.16 1u79 s TYR 37 Ca 0.40 0.23 -0.01 0.00 -1.41 0.00 0.00 57.07 56.28 1u79 s TYR 37 Cb -0.11 0.55 0.03 0.00 -1.10 0.00 0.00 41.96 41.33 1u79 s TYR 37 CO 0.29 -0.67 0.01 0.08 -2.51 0.00 0.00 175.55 172.74 1u79 s VAL 38 N -3.36 0.29 -0.15 -3.49 1.01 -0.96 -1.08 120.40 112.65 1u79 s VAL 38 Ca 0.04 0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.15 1u79 s VAL 38 Cb -0.01 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 1u79 s VAL 38 CO -0.10 0.24 -0.07 -0.83 0.00 0.00 0.00 175.10 174.34 1u79 s GLY 39 N 1.85 1.66 0.11 4.51 0.00 0.95 -1.39 107.32 115.01 1u79 s GLY 39 Ca 0.03 -0.87 0.04 0.00 0.00 0.00 0.00 44.72 43.92 1u79 s GLY 39 CO -0.04 -0.07 -0.11 0.54 0.00 0.00 0.00 173.10 173.42 1u79 s LYS 40 N 0.44 0.92 0.72 2.90 1.02 0.54 -0.93 119.74 125.34 1u79 s LYS 40 Ca -0.06 -1.24 -0.05 0.00 0.02 0.00 0.00 55.97 54.65 1u79 s LYS 40 Cb -0.15 -0.59 0.09 0.00 -0.52 0.00 0.00 37.83 36.66 1u79 s LYS 40 CO 0.03 0.09 1.01 -0.51 -0.92 0.00 0.00 175.35 175.05 1u79 s LEU 41 N -2.61 2.91 0.00 3.17 1.43 0.21 -0.94 118.68 122.86 1u79 s LEU 41 Ca 0.08 0.16 0.13 0.00 -1.03 0.00 0.00 54.13 53.48 1u79 s LEU 41 Cb -0.02 -2.70 0.80 0.00 0.03 0.00 0.00 46.19 44.30 1u79 s LEU 41 CO 0.00 -1.73 1.22 -0.62 0.23 0.00 0.00 176.35 175.45 1u79 n GLU 42 N -2.91 0.47 -0.08 1.70 -0.58 -1.26 -1.72 120.64 116.25 1u79 n GLU 42 Ca 0.11 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.93 1u79 n GLU 42 Cb 0.60 -1.44 0.12 0.00 -0.57 0.00 0.00 31.44 30.15 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 -0.94 2.73 0.00 1.62 6.94 -1.26 -4.95 115.26 119.39 1u79 n ASN 43 Ca 0.10 -1.80 0.00 0.00 -0.02 0.00 0.00 54.58 52.86 1u79 n ASN 43 Cb 0.05 -0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.35 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 0.98 0.61 3.68 4.83 0.00 -0.70 -5.04 105.19 109.55 1u79 n GLY 44 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.80 4.26 -0.30 1.61 2.36 -1.26 -4.77 119.74 120.86 1u79 s LYS 45 Ca 0.00 1.99 -0.27 0.00 -2.55 0.00 0.00 55.97 55.14 1u79 s LYS 45 Cb 0.00 -3.63 0.01 0.00 -1.05 0.00 0.00 37.83 33.16 1u79 s LYS 45 CO 0.00 -0.62 0.95 0.08 1.55 0.00 0.00 175.35 177.30 1u79 s VAL 46 N 2.66 4.66 -1.05 4.02 1.01 -1.26 -0.62 120.40 129.82 1u79 s VAL 46 Ca 0.65 1.55 0.22 0.00 0.00 0.00 0.00 61.98 64.40 1u79 s VAL 46 Cb -0.31 -4.28 -0.15 0.00 0.00 0.00 0.00 36.38 31.64 1u79 s VAL 46 CO 0.26 -0.33 1.07 2.22 0.00 0.00 0.00 175.10 178.32 1u79 n PHE 47 N 6.49 0.00 0.00 5.22 1.16 -0.11 -4.98 117.46 125.24 1u79 n PHE 47 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.66 1u79 n PHE 47 Cb 0.47 -0.07 0.00 0.00 -1.61 0.00 0.00 39.48 38.27 1u79 n PHE 47 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 1u79 n ASP 48 N -1.44 0.00 -3.55 5.98 2.03 -1.18 -5.02 116.55 113.38 1u79 n ASP 48 Ca 0.05 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.20 1u79 n ASP 48 Cb 0.34 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.68 1u79 n ASP 48 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1u79 s SER 49 N 0.00 -0.60 0.27 1.67 1.04 -1.26 -0.03 113.70 114.79 1u79 s SER 49 Ca 0.00 0.72 -0.01 0.00 0.48 0.00 0.00 55.95 57.14 1u79 s SER 49 Cb 0.00 0.58 0.38 0.00 0.10 0.00 0.00 66.02 67.08 1u79 s SER 49 CO 0.00 -0.51 1.80 0.77 0.98 0.00 0.00 173.24 176.28 1u79 h SER 50 N 3.11 0.74 -0.91 7.02 4.64 -1.36 -2.62 113.55 124.16 1u79 h SER 50 Ca -0.25 -0.16 0.04 0.00 -0.47 0.00 0.00 61.79 60.96 1u79 h SER 50 Cb 1.15 -0.19 -0.06 0.00 -0.31 0.00 0.00 62.40 62.99 1u79 h SER 50 CO 0.34 0.78 0.58 1.88 -0.87 0.00 0.00 176.83 179.53 1u79 h TYR 51 N 0.74 1.09 0.00 4.77 0.05 -1.80 0.19 116.97 122.01 1u79 h TYR 51 Ca 0.15 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.89 1u79 h TYR 51 Cb 0.38 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 1u79 h TYR 51 CO 0.02 0.60 -0.33 -0.97 -1.05 0.00 0.00 178.16 176.43 1u79 h ASN 52 N 1.11 0.00 0.94 3.88 -1.24 -1.83 -1.85 115.58 116.58 1u79 h ASN 52 Ca 0.37 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.38 1u79 h ASN 52 Cb 0.06 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.11 1u79 h ASN 52 CO -0.14 0.33 -0.31 0.54 -1.29 0.00 0.00 177.43 176.56 1u79 n ARG 53 N -3.90 0.15 -1.01 6.67 1.74 -0.16 -4.94 116.66 115.21 1u79 n ARG 53 Ca -0.02 0.07 -0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1u79 n ARG 53 Cb 0.40 -1.63 -0.00 0.00 -1.02 0.00 0.00 32.46 30.22 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 1.41 0.45 3.51 -0.13 0.00 0.48 -5.00 105.19 105.91 1u79 n GLY 54 Ca 0.05 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.53 1.04 0.86 1.61 -2.85 -0.92 -5.00 119.74 113.95 1u79 s LYS 55 Ca 0.00 0.12 -0.11 0.00 -1.00 0.00 0.00 55.97 54.98 1u79 s LYS 55 Cb 0.00 0.49 0.11 0.00 -2.06 0.00 0.00 37.83 36.36 1u79 s LYS 55 CO 0.00 -0.35 1.09 -1.25 0.10 0.00 0.00 175.35 174.94 1u79 s PRO 56 N -1.62 1.55 -0.16 1.78 0.04 -1.26 -4.53 135.00 130.80 1u79 s PRO 56 Ca -0.08 0.87 -0.20 0.00 0.04 0.00 0.00 61.00 61.63 1u79 s PRO 56 Cb -0.00 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 1u79 s PRO 56 CO 0.05 -2.05 0.59 -1.17 0.04 0.00 0.00 177.00 174.46 1u79 s LEU 57 N -6.11 4.20 -0.24 -3.56 2.96 0.43 -4.85 118.68 111.51 1u79 s LEU 57 Ca 0.63 0.86 -0.08 0.00 -0.22 0.00 0.00 54.13 55.31 1u79 s LEU 57 Cb -0.17 -2.84 -0.03 0.00 0.50 0.00 0.00 46.19 43.64 1u79 s LEU 57 CO 0.56 -0.17 0.08 -0.89 -1.32 0.00 0.00 176.35 174.62 1u79 s THR 58 N 1.40 4.51 0.19 3.68 2.01 -1.26 -1.57 115.64 124.59 1u79 s THR 58 Ca 0.29 -0.11 -0.23 0.00 0.31 0.00 0.00 61.69 61.95 1u79 s THR 58 Cb -0.16 -3.10 0.06 0.00 0.01 0.00 0.00 72.50 69.31 1u79 s THR 58 CO 0.11 0.35 0.67 0.72 -0.69 0.00 0.00 174.62 175.78 1u79 s PHE 59 N 1.44 -0.41 0.03 4.92 -0.12 -0.68 -4.98 117.98 118.18 1u79 s PHE 59 Ca 0.06 0.12 -0.15 0.00 -0.05 0.00 0.00 56.93 56.91 1u79 s PHE 59 Cb -0.15 0.61 -0.06 0.00 -0.63 0.00 0.00 43.02 42.79 1u79 s PHE 59 CO 0.04 -0.95 0.45 -0.98 -0.05 0.00 0.00 175.22 173.74 1u79 s ARG 60 N -3.74 3.97 0.08 1.99 1.70 -1.26 -0.52 118.95 121.17 1u79 s ARG 60 Ca 0.05 0.47 -0.10 0.00 -0.47 0.00 0.00 55.73 55.68 1u79 s ARG 60 Cb -0.03 -3.19 -0.06 0.00 -0.57 0.00 0.00 34.95 31.11 1u79 s ARG 60 CO -0.06 0.66 0.40 -1.50 -1.08 0.00 0.00 175.30 173.72 1u79 s ILE 61 N -1.13 5.09 -0.02 4.99 1.10 -0.77 -4.40 121.20 126.06 1u79 s ILE 61 Ca 0.26 0.47 0.00 0.00 -0.51 0.00 0.00 60.65 60.87 1u79 s ILE 61 Cb -0.17 -3.65 0.00 0.00 0.15 0.00 0.00 42.46 38.79 1u79 s ILE 61 CO 0.15 0.30 0.00 0.61 -2.11 0.00 0.00 174.94 173.89 1u79 n GLY 62 N 0.94 0.46 0.26 1.50 0.00 -1.26 -0.44 105.19 106.65 1u79 n GLY 62 Ca -0.08 -0.39 0.06 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.98 1.21 -2.27 1.61 0.24 -1.26 -4.74 118.33 110.14 1u79 n VAL 63 Ca -0.00 -1.49 -0.07 0.00 -2.04 0.00 0.00 64.34 60.74 1u79 n VAL 63 Cb 0.01 0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 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 -0.89 0.18 0.03 7.63 0.00 -1.26 -4.92 105.19 105.95 1u79 n GLY 64 Ca 0.10 -0.57 0.12 0.00 0.00 0.00 0.00 46.02 45.67 1u79 n GLY 64 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1u79 n GLU 65 N -1.68 0.15 -4.24 1.61 2.13 -1.26 -4.91 120.64 112.44 1u79 n GLU 65 Ca -0.06 0.03 -0.15 0.00 0.66 0.00 0.00 57.16 57.64 1u79 n GLU 65 Cb 0.55 -1.58 -0.09 0.00 0.27 0.00 0.00 31.44 30.59 1u79 n GLU 65 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1u79 s VAL 66 N -3.09 0.06 0.60 6.31 -7.23 -1.26 -5.04 120.40 110.75 1u79 s VAL 66 Ca 0.08 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.06 1u79 s VAL 66 Cb 0.16 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 1u79 s VAL 66 CO 0.73 0.00 1.09 2.30 -0.31 0.00 0.00 175.10 178.90 1u79 n ILE 67 N -0.40 3.93 -0.30 -0.62 -5.35 -1.26 -4.74 119.36 110.62 1u79 n ILE 67 Ca 0.03 -0.50 0.17 0.00 -0.27 0.00 0.00 62.75 62.18 1u79 n ILE 67 Cb 0.65 -1.29 0.44 0.00 -1.74 0.00 0.00 39.64 37.70 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 0.66 0.53 0.00 6.28 3.64 -1.87 0.42 116.57 126.23 1u79 h LYS 68 Ca -0.49 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1u79 h LYS 68 Cb 1.35 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1u79 h LYS 68 CO 0.52 0.35 -0.01 0.78 -2.27 0.00 0.00 179.45 178.82 1u79 h GLY 69 N 0.54 0.00 0.82 5.01 0.00 -1.43 0.57 103.07 108.59 1u79 h GLY 69 Ca 0.53 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.65 1u79 h GLY 69 CO -0.26 0.00 -0.88 1.49 0.00 0.00 0.00 176.54 176.88 1u79 h TRP 70 N 0.00 0.66 0.29 5.60 4.06 -1.19 0.22 115.95 125.59 1u79 h TRP 70 Ca -0.00 -0.44 -0.01 0.00 2.06 0.00 0.00 58.89 60.49 1u79 h TRP 70 Cb 0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.15 1u79 h TRP 70 CO 0.00 1.32 -0.14 -0.44 -3.56 0.00 0.00 178.44 175.62 1u79 h ASP 71 N -0.19 -0.33 -0.27 -3.49 3.32 -1.13 0.08 116.42 114.40 1u79 h ASP 71 Ca -0.15 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.77 1u79 h ASP 71 Cb 1.66 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 41.29 1u79 h ASP 71 CO 0.17 -0.23 -0.38 1.56 -1.72 0.00 0.00 179.24 178.64 1u79 h GLN 72 N -0.40 0.81 0.00 3.56 4.20 -1.01 -0.03 115.11 122.24 1u79 h GLN 72 Ca -0.04 -0.41 -0.03 0.00 0.06 0.00 0.00 58.65 58.23 1u79 h GLN 72 Cb 0.30 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1u79 h GLN 72 CO 0.07 1.05 -0.14 0.78 -0.67 0.00 0.00 178.83 179.91 1u79 h GLY 73 N 0.89 0.00 0.00 3.46 0.00 -0.39 0.20 103.07 107.23 1u79 h GLY 73 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.10 1u79 h GLY 73 CO 0.09 0.00 -2.11 1.39 0.00 0.00 0.00 176.54 175.91 1u79 n ILE 74 N -3.35 1.12 0.12 2.60 5.41 0.00 -4.57 119.36 120.69 1u79 n ILE 74 Ca -0.00 -0.44 0.08 0.00 1.00 0.00 0.00 62.75 63.39 1u79 n ILE 74 Cb 0.35 -1.17 0.02 0.00 -0.71 0.00 0.00 39.64 38.13 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 0.00 0.00 0.00 1.39 5.85 -1.08 -0.57 115.31 120.90 1u79 h LEU 75 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1u79 h LEU 75 Cb 1.69 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.72 1u79 h LEU 75 CO -0.06 0.20 0.00 0.61 -0.34 0.00 0.00 178.44 178.85 1u79 n GLY 76 N 1.22 2.22 1.46 3.75 0.00 0.72 -4.13 105.19 110.43 1u79 n GLY 76 Ca -0.01 -1.93 -0.03 0.00 0.00 0.00 0.00 46.02 44.06 1u79 n GLY 76 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1u79 n SER 77 N 0.00 -0.80 -4.69 1.61 2.88 0.08 -4.59 113.62 108.11 1u79 n SER 77 Ca 0.00 -1.51 -0.42 0.00 -1.33 0.00 0.00 58.87 55.60 1u79 n SER 77 Cb 0.00 1.33 -0.03 0.00 -0.75 0.00 0.00 64.21 64.76 1u79 n SER 77 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1u79 n ASP 78 N -1.07 4.05 0.00 -3.46 9.92 -1.26 -0.60 116.55 124.13 1u79 n ASP 78 Ca -0.02 0.99 0.00 0.00 -0.53 0.00 0.00 54.79 55.22 1u79 n ASP 78 Cb 0.23 -1.55 0.00 0.00 -0.64 0.00 0.00 41.12 39.16 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 4.24 0.91 2.82 0.44 0.00 -1.26 -4.31 105.19 108.02 1u79 n GLY 79 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.66 0.97 0.64 -0.61 1.01 0.23 -4.64 121.20 115.14 1u79 s ILE 80 Ca 0.00 -0.92 -0.13 0.00 0.00 0.00 0.00 60.65 59.60 1u79 s ILE 80 Cb 0.00 -1.41 -0.02 0.00 0.01 0.00 0.00 42.46 41.04 1u79 s ILE 80 CO 0.00 -0.21 1.05 -2.16 0.00 0.00 0.00 174.94 173.61 1u79 s PRO 81 N 1.64 3.20 0.65 2.79 0.04 -1.26 -0.74 135.00 141.32 1u79 s PRO 81 Ca -0.02 1.01 -0.16 0.00 0.04 0.00 0.00 61.00 61.88 1u79 s PRO 81 Cb -0.18 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 1u79 s PRO 81 CO -0.09 -0.90 1.12 -2.14 0.04 0.00 0.00 177.00 175.03 1u79 s PRO 82 N -4.69 2.83 0.59 0.56 0.02 -1.26 -4.43 135.00 128.62 1u79 s PRO 82 Ca 0.59 1.44 -0.14 0.00 0.02 0.00 0.00 61.00 62.91 1u79 s PRO 82 Cb -0.14 -1.95 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 1u79 s PRO 82 CO 0.48 -1.23 1.03 -1.64 -0.33 0.00 0.00 177.00 175.30 1u79 s MET 83 N -3.99 3.54 0.12 5.54 -1.94 -0.22 -4.89 119.30 117.47 1u79 s MET 83 Ca 0.68 0.95 0.08 0.00 -1.71 0.00 0.00 55.69 55.69 1u79 s MET 83 Cb -0.21 -2.07 -0.04 0.00 2.01 0.00 0.00 34.83 34.51 1u79 s MET 83 CO 0.40 -0.61 -0.12 -0.51 -0.01 0.00 0.00 175.02 174.17 1u79 s LEU 84 N -4.73 2.96 0.08 -0.03 1.43 -1.26 -1.97 118.68 115.16 1u79 s LEU 84 Ca 0.59 -0.46 -0.36 0.00 -1.03 0.00 0.00 54.13 52.86 1u79 s LEU 84 Cb -0.12 -1.74 -0.16 0.00 0.03 0.00 0.00 46.19 44.20 1u79 s LEU 84 CO 0.43 0.16 1.45 0.41 0.23 0.00 0.00 176.35 179.03 1u79 n THR 85 N 0.57 0.03 -0.70 5.49 -1.04 -0.02 -0.89 114.28 117.72 1u79 n THR 85 Ca -0.13 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 1u79 n THR 85 Cb 0.53 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 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 2.92 0.72 3.91 3.41 0.00 0.97 -1.26 105.19 115.85 1u79 n GLY 86 Ca 0.18 0.00 -0.27 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 -1.90 1.54 -0.12 -0.02 0.00 -0.07 -4.45 107.32 102.30 1u79 s GLY 87 Ca 0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 44.72 44.19 1u79 s GLY 87 CO 0.00 -0.32 -0.10 1.25 0.00 0.00 0.00 173.10 173.93 1u79 s LYS 88 N -4.85 1.79 0.02 2.90 2.20 0.37 -1.81 119.74 120.35 1u79 s LYS 88 Ca 0.50 -0.36 0.05 0.00 -0.36 0.00 0.00 55.97 55.80 1u79 s LYS 88 Cb -0.10 -1.75 -0.02 0.00 -1.51 0.00 0.00 37.83 34.45 1u79 s LYS 88 CO 0.46 -0.25 -0.15 0.50 -0.36 0.00 0.00 175.35 175.56 1u79 s ARG 89 N 1.60 1.05 -0.13 4.03 3.52 0.26 -1.53 118.95 127.76 1u79 s ARG 89 Ca 0.04 -0.66 -0.05 0.00 -0.13 0.00 0.00 55.73 54.93 1u79 s ARG 89 Cb -0.13 -1.05 -0.04 0.00 -1.56 0.00 0.00 34.95 32.17 1u79 s ARG 89 CO -0.09 0.27 0.06 0.99 -0.81 0.00 0.00 175.30 175.73 1u79 s THR 90 N -0.63 4.79 -0.03 4.11 2.01 -0.56 0.57 115.64 125.90 1u79 s THR 90 Ca 0.04 -0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.04 1u79 s THR 90 Cb -0.07 -3.09 -0.01 0.00 0.01 0.00 0.00 72.50 69.34 1u79 s THR 90 CO 0.01 0.56 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.53 1u79 s LEU 91 N -0.45 2.00 -0.25 4.42 1.43 0.62 -2.28 118.68 124.17 1u79 s LEU 91 Ca 0.10 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1u79 s LEU 91 Cb -0.12 -1.09 0.02 0.00 0.03 0.00 0.00 46.19 45.04 1u79 s LEU 91 CO 0.02 0.22 -0.04 -0.60 0.23 0.00 0.00 176.35 176.18 1u79 s ARG 92 N -0.26 2.90 -0.24 1.70 3.52 -0.05 -1.09 118.95 125.44 1u79 s ARG 92 Ca 0.02 -0.94 -0.02 0.00 -0.13 0.00 0.00 55.73 54.66 1u79 s ARG 92 Cb -0.10 -3.04 0.01 0.00 -1.56 0.00 0.00 34.95 30.26 1u79 s ARG 92 CO 0.01 -0.39 -0.06 0.42 -0.81 0.00 0.00 175.30 174.46 1u79 s ILE 93 N 1.36 3.00 0.67 4.11 1.01 0.44 -1.41 121.20 130.38 1u79 s ILE 93 Ca 0.01 -0.84 -0.16 0.00 0.00 0.00 0.00 60.65 59.66 1u79 s ILE 93 Cb -0.17 -2.45 0.01 0.00 0.01 0.00 0.00 42.46 39.86 1u79 s ILE 93 CO -0.03 0.29 1.17 -2.84 0.00 0.00 0.00 174.94 173.53 1u79 s PRO 94 N 1.38 2.58 0.38 2.79 0.02 -1.26 -0.94 135.00 139.95 1u79 s PRO 94 Ca 0.02 1.64 0.15 0.00 0.02 0.00 0.00 61.00 62.84 1u79 s PRO 94 Cb -0.16 -1.90 1.00 0.00 0.02 0.00 0.00 34.50 33.46 1u79 s PRO 94 CO -0.05 -1.47 1.81 -1.35 -0.33 0.00 0.00 177.00 175.62 1u79 h PRO 95 N 0.12 0.48 -0.64 5.54 0.11 -1.85 -1.13 132.00 134.64 1u79 h PRO 95 Ca -0.48 -0.03 0.16 0.00 0.11 0.00 0.00 66.00 65.76 1u79 h PRO 95 Cb 1.28 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1u79 h PRO 95 CO 0.52 0.32 0.44 1.05 -0.21 0.00 0.00 178.00 180.13 1u79 h GLU 96 N 0.50 0.17 -0.53 1.05 4.11 -1.90 0.75 114.58 118.73 1u79 h GLU 96 Ca 0.53 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.95 1u79 h GLU 96 Cb 1.19 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1u79 h GLU 96 CO -0.26 0.11 0.00 1.28 0.07 0.00 0.00 179.01 180.22 1u79 n LEU 97 N -4.41 4.27 0.00 3.06 4.77 -0.43 -4.79 117.00 119.46 1u79 n LEU 97 Ca 0.12 -2.46 0.00 0.00 -0.03 0.00 0.00 56.01 53.64 1u79 n LEU 97 Cb 0.59 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1u79 n LEU 97 CO 0.35 0.78 0.00 0.00 -1.33 0.00 0.00 177.39 177.19 1u79 n ALA 98 N 0.73 0.00 -0.20 -1.18 0.00 -0.04 -1.07 120.51 118.75 1u79 n ALA 98 Ca 0.22 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.74 1u79 n ALA 98 Cb 0.80 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.46 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 0.61 -3.51 0.00 4.01 -1.19 -4.80 117.16 112.27 1u79 n TYR 99 Ca 0.00 -0.48 0.00 0.00 -0.16 0.00 0.00 57.90 57.26 1u79 n TYR 99 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 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 0.90 0.88 0.00 2.72 0.00 0.05 -2.29 105.19 107.45 1u79 n GLY 100 Ca 0.16 -0.76 0.10 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.30 0.00 0.09 1.61 8.00 -1.26 -0.62 116.55 121.07 1u79 n ASP 101 Ca 0.00 -1.18 -0.23 0.00 0.71 0.00 0.00 54.79 54.09 1u79 n ASP 101 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 40.95 1u79 n ASP 101 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1u79 h ARG 102 N 0.00 0.43 0.00 -1.24 2.43 -1.88 -3.41 114.38 110.71 1u79 h ARG 102 Ca 0.00 -0.73 0.00 0.00 -0.81 0.00 0.00 59.98 58.44 1u79 h ARG 102 Cb 0.00 0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1u79 h ARG 102 CO 0.00 1.35 0.00 0.41 -1.51 0.00 0.00 179.97 180.22 1u79 n GLY 103 N 1.78 -2.31 3.26 2.80 0.00 -0.97 -4.64 105.19 105.11 1u79 n GLY 103 Ca -0.21 -1.56 -0.09 0.00 0.00 0.00 0.00 46.02 44.16 1u79 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u79 s ALA 104 N -1.05 -0.45 -1.15 4.61 0.00 -0.53 -4.90 121.76 118.28 1u79 s ALA 104 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.51 1u79 s ALA 104 Cb 0.00 0.58 -0.01 0.00 0.00 0.00 0.00 23.12 23.69 1u79 s ALA 104 CO 0.00 -0.57 0.97 0.41 0.00 0.00 0.00 175.76 176.57 1u79 n GLY 105 N -0.13 -0.48 3.89 0.00 0.00 -1.26 -1.45 105.19 105.77 1u79 n GLY 105 Ca -0.15 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.10 0.85 6.49 0.00 1.02 0.14 -4.98 119.74 121.16 1u79 s LYS 107 Ca 0.32 -1.28 0.00 0.00 0.02 0.00 0.00 55.97 55.03 1u79 s LYS 107 Cb -0.13 -2.12 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 1u79 s LYS 107 CO 0.20 -1.01 0.00 0.41 -0.92 0.00 0.00 175.35 174.03 1u79 n GLY 108 N 4.59 2.40 0.47 -3.33 0.00 -1.26 -1.85 105.19 106.21 1u79 n GLY 108 Ca 0.00 -0.40 0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 0.03 3.53 -0.02 0.00 -1.26 -4.77 105.19 102.71 1u79 n GLY 109 Ca 0.00 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 1u79 n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u79 s SER 110 N -1.82 6.03 0.02 1.61 0.01 -0.77 -4.99 113.70 113.79 1u79 s SER 110 Ca 0.36 -0.37 0.09 0.00 1.31 0.00 0.00 55.95 57.34 1u79 s SER 110 Cb 0.19 -2.13 -0.03 0.00 0.21 0.00 0.00 66.02 64.27 1u79 s SER 110 CO 0.31 -0.21 -0.26 0.00 0.41 0.00 0.00 173.24 173.49 1u79 h LEU 112 N 5.01 0.83 -7.93 0.00 5.85 -0.27 -3.22 115.31 115.58 1u79 h LEU 112 Ca -0.45 0.05 -0.70 0.00 0.84 0.00 0.00 57.88 57.61 1u79 h LEU 112 Cb 1.14 -0.12 -0.32 0.00 0.37 0.00 0.00 40.66 41.72 1u79 h LEU 112 CO 0.45 0.46 -0.52 -0.63 -0.34 0.00 0.00 178.44 177.86 1u79 s ILE 113 N -6.00 3.61 0.78 4.05 1.01 -0.53 -4.98 121.20 119.15 1u79 s ILE 113 Ca -0.12 -1.81 -0.15 0.00 0.00 0.00 0.00 60.65 58.58 1u79 s ILE 113 Cb 0.21 -3.36 0.03 0.00 0.01 0.00 0.00 42.46 39.35 1u79 s ILE 113 CO 0.80 -0.61 0.93 -2.65 0.00 0.00 0.00 174.94 173.41 1u79 n PRO 114 N 4.72 0.26 -1.72 2.79 -0.02 -1.22 -1.45 135.00 138.35 1u79 n PRO 114 Ca -0.06 0.15 -0.39 0.00 -2.02 0.00 0.00 63.50 61.18 1u79 n PRO 114 Cb 0.42 -2.20 0.04 0.00 -0.02 0.00 0.00 33.50 31.73 1u79 n PRO 114 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1u79 n PRO 115 N -2.21 1.67 -2.89 0.52 -0.02 -1.26 -2.75 135.00 128.06 1u79 n PRO 115 Ca 0.12 0.61 -0.21 0.00 -2.02 0.00 0.00 63.50 62.00 1u79 n PRO 115 Cb 0.50 -2.48 0.03 0.00 -0.02 0.00 0.00 33.50 31.53 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 -0.89 -0.87 -2.71 3.55 0.00 0.21 -4.91 120.51 114.88 1u79 n ALA 116 Ca 0.10 0.26 -0.40 0.00 0.00 0.00 0.00 53.44 53.39 1u79 n ALA 116 Cb 0.44 -3.51 -0.04 0.00 0.00 0.00 0.00 19.45 16.34 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 -2.62 7.10 0.07 0.00 0.01 -1.11 -4.73 113.70 112.41 1u79 s SER 117 Ca 0.24 1.32 -0.27 0.00 1.31 0.00 0.00 55.95 58.55 1u79 s SER 117 Cb -0.11 -2.46 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 1u79 s SER 117 CO 0.30 -0.15 0.86 -0.69 0.41 0.00 0.00 173.24 173.97 1u79 s VAL 118 N 0.84 4.65 -0.01 3.43 1.01 -1.26 -3.49 120.40 125.57 1u79 s VAL 118 Ca 0.41 1.84 0.03 0.00 0.00 0.00 0.00 61.98 64.27 1u79 s VAL 118 Cb -0.19 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 1u79 s VAL 118 CO 0.21 0.33 -0.07 -0.76 0.00 0.00 0.00 175.10 174.81 1u79 s LEU 119 N 0.07 3.16 -0.13 3.92 1.43 -0.12 -4.20 118.68 122.81 1u79 s LEU 119 Ca 0.43 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 1u79 s LEU 119 Cb -0.22 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 1u79 s LEU 119 CO 0.26 0.30 -0.15 -0.76 0.23 0.00 0.00 176.35 176.24 1u79 s LEU 120 N -1.27 2.61 0.03 1.79 1.43 -0.11 -0.42 118.68 122.74 1u79 s LEU 120 Ca 0.16 -0.37 0.06 0.00 -1.03 0.00 0.00 54.13 52.94 1u79 s LEU 120 Cb -0.11 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 1u79 s LEU 120 CO 0.06 0.15 -0.16 -0.36 0.23 0.00 0.00 176.35 176.27 1u79 s PHE 121 N 0.41 1.45 -0.30 0.29 0.40 -0.25 -0.34 117.98 119.65 1u79 s PHE 121 Ca -0.11 -0.34 -0.06 0.00 -0.60 0.00 0.00 56.93 55.82 1u79 s PHE 121 Cb -0.16 -0.87 0.01 0.00 0.51 0.00 0.00 43.02 42.51 1u79 s PHE 121 CO 0.05 0.04 0.07 -0.51 0.70 0.00 0.00 175.22 175.58 1u79 s ASP 122 N -0.98 5.10 -0.13 1.36 1.11 -0.49 -0.27 116.67 122.37 1u79 s ASP 122 Ca 0.04 -0.77 -0.02 0.00 0.18 0.00 0.00 52.55 51.99 1u79 s ASP 122 Cb -0.08 -1.87 -0.02 0.00 1.07 0.00 0.00 42.92 42.02 1u79 s ASP 122 CO 0.01 -0.20 -0.08 -0.63 1.18 0.00 0.00 175.17 175.45 1u79 s ILE 123 N 1.48 3.55 -0.38 0.77 1.01 0.19 -2.26 121.20 125.56 1u79 s ILE 123 Ca 0.02 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.16 1u79 s ILE 123 Cb -0.17 -2.52 0.10 0.00 0.01 0.00 0.00 42.46 39.88 1u79 s ILE 123 CO 0.02 0.52 0.15 -1.61 0.00 0.00 0.00 174.94 174.02 1u79 s GLU 124 N 0.18 1.95 -0.74 2.79 2.02 -0.27 -0.57 118.70 124.06 1u79 s GLU 124 Ca -0.04 -1.77 -0.26 0.00 0.02 0.00 0.00 54.97 52.92 1u79 s GLU 124 Cb -0.14 -3.47 0.04 0.00 0.10 0.00 0.00 34.13 30.66 1u79 s GLU 124 CO 0.04 -1.00 1.23 -0.47 0.02 0.00 0.00 175.26 175.08 1u79 s TYR 125 N 1.11 2.36 0.20 1.61 6.04 -0.75 -1.45 117.35 126.46 1u79 s TYR 125 Ca 0.07 -0.17 -0.04 0.00 0.04 0.00 0.00 57.07 56.98 1u79 s TYR 125 Cb -0.22 -4.58 0.14 0.00 -1.04 0.00 0.00 41.96 36.27 1u79 s TYR 125 CO -0.05 -2.00 1.55 0.82 -1.54 0.00 0.00 175.55 174.33 1u79 h ILE 126 N 6.04 1.30 0.00 3.14 1.08 -1.67 0.28 117.51 127.68 1u79 h ILE 126 Ca -0.26 -1.61 0.00 0.00 -0.39 0.00 0.00 64.86 62.59 1u79 h ILE 126 Cb 1.05 1.56 0.00 0.00 -3.07 0.00 0.00 36.82 36.36 1u79 h ILE 126 CO 1.27 0.51 0.00 0.61 -0.69 0.00 0.00 178.15 179.85 1u79 n GLY 127 N 0.07 0.85 3.78 5.37 0.00 -1.22 -4.01 105.19 110.03 1u79 n GLY 127 Ca -0.02 -1.99 -0.33 0.00 0.00 0.00 0.00 46.02 43.68 1u79 n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u79 s LYS 128 N -1.54 3.03 0.00 1.61 -2.85 -1.26 -0.75 119.74 117.97 1u79 s LYS 128 Ca 0.00 1.41 0.32 0.00 -1.00 0.00 0.00 55.97 56.69 1u79 s LYS 128 Cb 0.00 -1.98 1.83 0.00 -2.06 0.00 0.00 37.83 35.62 1u79 s LYS 128 CO 0.00 -1.07 2.19 0.00 0.10 0.00 0.00 175.35 176.56