#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k8o n GLY 2 N 0.00 0.97 3.93 3.03 0.00 -1.26 -5.01 105.19 106.85 1k8o n GLY 2 Ca 0.00 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 1k8o n GLY 2 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k8o s GLN 3 N -2.55 3.50 0.06 1.61 -0.21 -1.26 -5.11 119.66 115.70 1k8o s GLN 3 Ca 0.00 -0.39 0.06 0.00 0.02 0.00 0.00 55.36 55.05 1k8o s GLN 3 Cb 0.00 -2.91 -0.04 0.00 1.00 0.00 0.00 33.01 31.07 1k8o s GLN 3 CO 0.00 0.48 -0.12 0.14 -2.12 0.00 0.00 175.29 173.66 1k8o s VAL 4 N -1.74 3.21 -0.25 1.09 -7.23 -1.26 -4.75 120.40 109.47 1k8o s VAL 4 Ca 0.37 -1.13 -0.14 0.00 -1.81 0.00 0.00 61.98 59.28 1k8o s VAL 4 Cb -0.12 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 1k8o s VAL 4 CO 0.28 0.26 0.31 0.68 -0.31 0.00 0.00 175.10 176.32 1k8o s VAL 5 N -1.05 5.24 -0.00 1.32 -7.23 0.57 -4.76 120.40 114.48 1k8o s VAL 5 Ca 0.18 0.47 -0.03 0.00 -1.81 0.00 0.00 61.98 60.78 1k8o s VAL 5 Cb -0.11 -3.64 -0.04 0.00 0.56 0.00 0.00 36.38 33.15 1k8o s VAL 5 CO 0.09 0.23 0.20 -1.10 -0.31 0.00 0.00 175.10 174.21 1k8o s GLN 6 N 1.66 3.46 -0.04 4.82 1.11 -1.26 -0.65 119.66 128.76 1k8o s GLN 6 Ca 0.13 -0.28 -0.07 0.00 0.01 0.00 0.00 55.36 55.15 1k8o s GLN 6 Cb -0.15 -3.09 -0.04 0.00 -1.01 0.00 0.00 33.01 28.71 1k8o s GLN 6 CO 0.09 0.67 0.22 0.12 0.01 0.00 0.00 175.29 176.39 1k8o s PHE 7 N -1.33 3.60 0.03 0.91 2.19 0.62 -4.88 117.98 119.12 1k8o s PHE 7 Ca 0.28 0.56 0.07 0.00 0.33 0.00 0.00 56.93 58.16 1k8o s PHE 7 Cb -0.13 -1.97 -0.02 0.00 -1.31 0.00 0.00 43.02 39.59 1k8o s PHE 7 CO 0.18 0.67 -0.19 0.21 1.83 0.00 0.00 175.22 177.92 1k8o s LYS 8 N -1.45 1.33 -0.12 10.12 2.20 -1.26 -0.30 119.74 130.25 1k8o s LYS 8 Ca 0.22 -0.85 -0.32 0.00 -0.36 0.00 0.00 55.97 54.66 1k8o s LYS 8 Cb -0.13 -1.39 -0.10 0.00 -1.51 0.00 0.00 37.83 34.70 1k8o s LYS 8 CO 0.12 0.36 2.01 -0.11 -0.36 0.00 0.00 175.35 177.36 1k8o n LEU 9 N 2.02 3.39 -3.77 5.43 -0.00 -1.26 -4.95 117.00 117.85 1k8o n LEU 9 Ca -0.17 0.74 -0.27 0.00 -0.00 0.00 0.00 56.01 56.32 1k8o n LEU 9 Cb 0.54 -1.42 -0.17 0.00 -0.00 0.00 0.00 43.42 42.37 1k8o n LEU 9 CO 0.23 -0.21 -0.38 -0.94 -0.00 0.00 0.00 177.39 176.09 1k8o s SER 10 N 5.38 2.67 0.00 1.96 1.04 -1.26 -4.21 113.70 119.28 1k8o s SER 10 Ca 0.96 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 56.72 1k8o s SER 10 Cb -0.60 -0.63 0.00 0.00 0.10 0.00 0.00 66.02 64.89 1k8o s SER 10 CO 0.47 -0.26 0.00 -0.67 0.98 0.00 0.00 173.24 173.75 1k8o n ASP 11 N 5.03 0.00 -4.38 7.02 2.03 -1.26 -5.05 116.55 119.93 1k8o n ASP 11 Ca -0.09 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.02 1k8o n ASP 11 Cb 0.48 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.77 1k8o n ASP 11 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1k8o s ILE 12 N 0.00 0.94 0.85 5.18 -0.00 -1.26 -5.10 121.20 121.80 1k8o s ILE 12 Ca 0.00 -2.00 -0.13 0.00 -0.00 0.00 0.00 60.65 58.52 1k8o s ILE 12 Cb 0.00 -2.72 0.11 0.00 -0.00 0.00 0.00 42.46 39.85 1k8o s ILE 12 CO 0.00 0.00 1.21 -0.83 -0.00 0.00 0.00 174.94 175.32 1k8o s GLY 13 N -3.44 1.63 -1.27 6.27 0.00 -1.26 -4.73 107.32 104.51 1k8o s GLY 13 Ca 0.36 -0.75 -0.12 0.00 0.00 0.00 0.00 44.72 44.21 1k8o s GLY 13 CO 0.15 -0.20 1.75 1.18 0.00 0.00 0.00 173.10 175.98 1k8o n GLU 14 N -3.44 3.45 0.00 2.90 1.02 -1.26 -3.88 120.64 119.44 1k8o n GLU 14 Ca 0.09 -3.55 0.00 0.00 -0.02 0.00 0.00 57.16 53.69 1k8o n GLU 14 Cb 0.61 -3.03 0.00 0.00 -0.02 0.00 0.00 31.44 29.00 1k8o n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k8o n GLY 15 N 3.48 0.72 0.26 0.62 0.00 -1.26 -4.99 105.19 104.02 1k8o n GLY 15 Ca 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.41 1k8o n GLY 15 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1k8o h ILE 16 N 0.00 1.22 0.00 -0.61 -0.00 -1.97 -3.47 117.51 112.68 1k8o h ILE 16 Ca 0.00 -0.92 0.00 0.00 -0.00 0.00 0.00 64.86 63.94 1k8o h ILE 16 Cb 0.00 1.04 0.00 0.00 -0.00 0.00 0.00 36.82 37.86 1k8o h ILE 16 CO 0.00 0.31 0.00 -1.14 -0.00 0.00 0.00 178.15 177.32 1k8o n ARG 17 N -4.24 0.00 -2.98 0.16 0.63 -1.26 -5.07 116.66 103.91 1k8o n ARG 17 Ca 0.01 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.76 1k8o n ARG 17 Cb 0.29 0.00 0.03 0.00 0.45 0.00 0.00 32.46 33.22 1k8o n ARG 17 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1k8o s GLU 18 N -2.83 2.66 0.09 -0.14 2.02 -1.26 -4.68 118.70 114.55 1k8o s GLU 18 Ca 0.00 -1.30 0.10 0.00 0.02 0.00 0.00 54.97 53.79 1k8o s GLU 18 Cb 0.00 -2.70 -0.03 0.00 0.10 0.00 0.00 34.13 31.49 1k8o s GLU 18 CO 0.00 -0.47 -0.25 0.54 0.02 0.00 0.00 175.26 175.09 1k8o s VAL 19 N -2.48 2.09 0.17 2.63 0.11 -1.12 -4.91 120.40 116.89 1k8o s VAL 19 Ca 0.57 -1.54 0.01 0.00 -2.93 0.00 0.00 61.98 58.09 1k8o s VAL 19 Cb -0.09 -1.83 -0.04 0.00 -1.53 0.00 0.00 36.38 32.89 1k8o s VAL 19 CO 0.35 0.19 0.34 -0.89 -3.33 0.00 0.00 175.10 171.75 1k8o s THR 20 N -0.95 5.26 0.13 5.04 2.01 -1.26 0.10 115.64 125.97 1k8o s THR 20 Ca 0.12 -0.49 -0.30 0.00 0.31 0.00 0.00 61.69 61.33 1k8o s THR 20 Cb -0.10 -3.73 -0.06 0.00 0.01 0.00 0.00 72.50 68.62 1k8o s THR 20 CO 0.04 -0.12 0.94 -0.69 -0.69 0.00 0.00 174.62 174.10 1k8o s VAL 21 N -1.79 4.44 -0.21 3.82 1.01 -1.08 -3.84 120.40 122.75 1k8o s VAL 21 Ca 0.37 2.04 0.14 0.00 0.00 0.00 0.00 61.98 64.53 1k8o s VAL 21 Cb -0.11 -4.31 -0.23 0.00 0.00 0.00 0.00 36.38 31.73 1k8o s VAL 21 CO 0.29 0.36 -0.00 1.17 0.00 0.00 0.00 175.10 176.91 1k8o n LYS 22 N 2.54 0.71 -4.14 2.72 3.00 0.43 -4.07 118.16 119.35 1k8o n LYS 22 Ca 0.01 0.03 -0.17 0.00 -0.00 0.00 0.00 58.31 58.18 1k8o n LYS 22 Cb 0.49 -1.51 -0.15 0.00 0.00 0.00 0.00 35.03 33.85 1k8o n LYS 22 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1k8o s GLU 23 N -2.49 0.53 -0.10 1.64 2.12 -0.92 -4.95 118.70 114.52 1k8o s GLU 23 Ca -0.16 -0.13 -0.01 0.00 0.36 0.00 0.00 54.97 55.03 1k8o s GLU 23 Cb 0.07 -0.55 0.03 0.00 0.26 0.00 0.00 34.13 33.94 1k8o s GLU 23 CO 0.76 0.03 -0.05 -1.58 -0.54 0.00 0.00 175.26 173.89 1k8o s TRP 24 N 0.31 1.23 -0.59 5.30 0.23 -1.26 -0.96 118.94 123.20 1k8o s TRP 24 Ca -0.03 -0.58 0.06 0.00 -2.03 0.00 0.00 56.10 53.51 1k8o s TRP 24 Cb -0.07 -1.10 0.02 0.00 0.03 0.00 0.00 33.47 32.35 1k8o s TRP 24 CO -0.00 -0.46 0.56 0.66 0.96 0.00 0.00 176.95 178.66 1k8o n TYR 25 N 5.01 0.00 -4.36 -1.98 4.02 -1.09 -5.04 117.16 113.71 1k8o n TYR 25 Ca -0.11 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.60 1k8o n TYR 25 Cb 0.50 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.72 1k8o n TYR 25 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1k8o s VAL 26 N -0.73 1.37 0.12 -0.72 -7.23 -1.25 -4.86 120.40 107.10 1k8o s VAL 26 Ca 0.05 -2.09 -0.03 0.00 -1.81 0.00 0.00 61.98 58.11 1k8o s VAL 26 Cb 0.04 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.66 1k8o s VAL 26 CO 0.11 -0.40 0.09 -0.54 -0.31 0.00 0.00 175.10 174.04 1k8o s LYS 27 N -3.77 0.92 0.22 4.82 -0.14 -1.26 -5.05 119.74 115.48 1k8o s LYS 27 Ca 0.27 -1.35 -0.31 0.00 -1.36 0.00 0.00 55.97 53.22 1k8o s LYS 27 Cb 0.04 0.26 -0.14 0.00 -1.68 0.00 0.00 37.83 36.31 1k8o s LYS 27 CO 0.09 -0.27 1.24 0.39 -0.76 0.00 0.00 175.35 176.04 1k8o n GLU 28 N -0.08 1.55 -0.89 1.68 4.71 -1.26 -0.25 120.64 126.10 1k8o n GLU 28 Ca -0.07 0.55 0.00 0.00 -0.01 0.00 0.00 57.16 57.63 1k8o n GLU 28 Cb 0.63 -2.10 0.00 0.00 -1.01 0.00 0.00 31.44 28.96 1k8o n GLU 28 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1k8o n GLY 29 N 1.93 0.52 3.92 0.62 0.00 0.44 -4.88 105.19 107.74 1k8o n GLY 29 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1k8o n GLY 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k8o s ASP 30 N -2.40 6.42 0.04 1.61 2.15 0.69 -4.78 116.67 120.39 1k8o s ASP 30 Ca 0.00 0.48 -0.01 0.00 0.43 0.00 0.00 52.55 53.45 1k8o s ASP 30 Cb 0.00 -2.04 -0.04 0.00 -0.30 0.00 0.00 42.92 40.54 1k8o s ASP 30 CO 0.00 -0.03 0.20 -0.89 -0.17 0.00 0.00 175.17 174.28 1k8o s THR 31 N -1.82 5.40 0.26 1.71 2.01 -1.26 0.17 115.64 122.11 1k8o s THR 31 Ca 0.40 -0.31 0.07 0.00 0.31 0.00 0.00 61.69 62.15 1k8o s THR 31 Cb -0.11 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 1k8o s THR 31 CO 0.28 0.20 0.23 0.68 -0.69 0.00 0.00 174.62 175.32 1k8o s VAL 32 N -1.45 4.45 0.22 3.82 -7.23 0.42 -4.90 120.40 115.74 1k8o s VAL 32 Ca 0.32 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 59.14 1k8o s VAL 32 Cb -0.13 -3.43 -0.04 0.00 0.56 0.00 0.00 36.38 33.33 1k8o s VAL 32 CO 0.25 -0.33 0.13 -0.44 -0.31 0.00 0.00 175.10 174.40 1k8o s SER 33 N -3.87 0.48 0.63 4.85 0.01 -1.24 -2.10 113.70 112.46 1k8o s SER 33 Ca 0.34 -1.42 0.39 0.00 1.31 0.00 0.00 55.95 56.57 1k8o s SER 33 Cb -0.08 0.35 2.13 0.00 0.21 0.00 0.00 66.02 68.63 1k8o s SER 33 CO 0.26 -0.83 2.29 1.56 0.41 0.00 0.00 173.24 176.93 1k8o h GLN 34 N 2.53 0.00 0.00 12.44 4.20 -1.92 -1.88 115.11 130.49 1k8o h GLN 34 Ca -0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.35 1k8o h GLN 34 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1k8o h GLN 34 CO 0.54 0.01 -1.90 1.97 -0.67 0.00 0.00 178.83 178.77 1k8o n PHE 35 N -3.33 0.00 -3.22 2.96 1.16 -1.26 -4.44 117.46 109.33 1k8o n PHE 35 Ca -0.03 0.00 -0.45 0.00 -1.87 0.00 0.00 57.45 55.10 1k8o n PHE 35 Cb 0.10 -0.45 -0.05 0.00 -1.61 0.00 0.00 39.48 37.47 1k8o n PHE 35 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1k8o s ASP 36 N -4.27 6.19 0.79 5.98 -1.08 -0.70 -5.03 116.67 118.54 1k8o s ASP 36 Ca -0.07 -1.43 -0.11 0.00 -0.52 0.00 0.00 52.55 50.42 1k8o s ASP 36 Cb 0.13 -2.26 0.07 0.00 -1.46 0.00 0.00 42.92 39.40 1k8o s ASP 36 CO 0.82 -0.94 1.10 -0.44 0.52 0.00 0.00 175.17 176.23 1k8o s SER 37 N 3.31 4.29 0.00 -0.34 0.01 -1.26 -3.58 113.70 116.12 1k8o s SER 37 Ca 0.09 1.88 0.00 0.00 1.31 0.00 0.00 55.95 59.22 1k8o s SER 37 Cb -0.25 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.45 1k8o s SER 37 CO 0.06 -2.18 0.00 -0.38 0.41 0.00 0.00 173.24 171.15 1k8o n ILE 38 N -3.60 0.00 -4.20 1.44 5.41 -1.07 -3.86 119.36 113.47 1k8o n ILE 38 Ca 0.09 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.55 1k8o n ILE 38 Cb 0.53 -0.61 -0.09 0.00 -0.71 0.00 0.00 39.64 38.76 1k8o n ILE 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1k8o s GLU 40 N -2.30 0.20 0.14 0.00 -6.30 -0.13 -1.90 118.70 108.40 1k8o s GLU 40 Ca 0.23 0.18 0.06 0.00 -2.50 0.00 0.00 54.97 52.94 1k8o s GLU 40 Cb -0.11 -0.55 -0.04 0.00 0.00 0.00 0.00 34.13 33.43 1k8o s GLU 40 CO 0.15 -0.22 -0.13 0.14 0.02 0.00 0.00 175.26 175.22 1k8o s VAL 41 N 1.52 1.34 -0.03 3.70 -7.23 -0.60 0.16 120.40 119.26 1k8o s VAL 41 Ca -0.03 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 1k8o s VAL 41 Cb -0.13 -1.65 0.03 0.00 0.56 0.00 0.00 36.38 35.19 1k8o s VAL 41 CO -0.03 -0.51 0.01 -1.10 -0.31 0.00 0.00 175.10 173.17 1k8o s GLN 42 N -3.01 0.14 0.16 4.82 -0.21 -1.25 -1.32 119.66 119.00 1k8o s GLN 42 Ca 0.12 0.13 0.10 0.00 0.02 0.00 0.00 55.36 55.73 1k8o s GLN 42 Cb -0.03 -0.38 -0.04 0.00 1.00 0.00 0.00 33.01 33.56 1k8o s GLN 42 CO 0.03 -0.15 -0.19 0.45 -2.12 0.00 0.00 175.29 173.31 1k8o s SER 43 N 1.06 3.78 0.20 5.90 0.15 -0.31 -4.74 113.70 119.74 1k8o s SER 43 Ca -0.09 -0.68 -0.15 0.00 0.70 0.00 0.00 55.95 55.73 1k8o s SER 43 Cb -0.13 -0.46 0.21 0.00 -1.71 0.00 0.00 66.02 63.92 1k8o s SER 43 CO -0.02 0.14 1.62 -0.78 1.20 0.00 0.00 173.24 175.40 1k8o h ASP 44 N 3.39 -0.65 0.85 5.45 3.58 -2.01 -2.39 116.42 124.64 1k8o h ASP 44 Ca -0.48 0.19 -0.04 0.00 0.42 0.00 0.00 57.03 57.12 1k8o h ASP 44 Cb 1.19 0.40 0.00 0.00 1.72 0.00 0.00 39.33 42.65 1k8o h ASP 44 CO 0.48 -0.22 -0.46 0.07 -2.88 0.00 0.00 179.24 176.23 1k8o h LYS 45 N -0.03 -1.16 -3.72 0.28 2.10 -2.02 -3.46 116.57 108.55 1k8o h LYS 45 Ca 0.28 0.08 -0.08 0.00 -2.00 0.00 0.00 60.65 58.93 1k8o h LYS 45 Cb 0.46 0.26 -0.13 0.00 -0.90 0.00 0.00 32.23 31.93 1k8o h LYS 45 CO -0.63 -0.78 -0.26 0.00 -2.00 0.00 0.00 179.45 175.79 1k8o s ALA 46 N -5.98 -0.31 -0.03 0.07 0.00 -0.90 -5.17 121.76 109.45 1k8o s ALA 46 Ca -0.19 -0.61 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 1k8o s ALA 46 Cb 0.03 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 1k8o s ALA 46 CO 0.61 -0.62 0.10 -1.12 0.00 0.00 0.00 175.76 174.72 1k8o s SER 47 N -2.90 5.87 -0.10 0.00 0.01 -1.26 -1.16 113.70 114.15 1k8o s SER 47 Ca 0.10 0.22 -0.00 0.00 1.31 0.00 0.00 55.95 57.59 1k8o s SER 47 Cb 0.03 -1.74 0.02 0.00 0.21 0.00 0.00 66.02 64.54 1k8o s SER 47 CO -0.05 0.29 -0.07 -0.69 0.41 0.00 0.00 173.24 173.13 1k8o s VAL 48 N -1.18 0.95 -0.12 3.43 1.01 -0.43 -4.94 120.40 119.11 1k8o s VAL 48 Ca 0.22 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 61.94 1k8o s VAL 48 Cb -0.12 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 1k8o s VAL 48 CO 0.13 0.35 -0.12 0.42 0.00 0.00 0.00 175.10 175.88 1k8o s THR 49 N 1.61 3.14 -0.45 3.92 -4.23 -1.26 -1.56 115.64 116.80 1k8o s THR 49 Ca 0.03 -0.64 -0.15 0.00 -1.18 0.00 0.00 61.69 59.75 1k8o s THR 49 Cb -0.13 -2.31 0.06 0.00 1.34 0.00 0.00 72.50 71.46 1k8o s THR 49 CO -0.06 0.53 0.36 -0.63 -0.54 0.00 0.00 174.62 174.27 1k8o s ILE 50 N 0.22 5.11 0.84 2.99 -1.09 -0.80 -5.03 121.20 123.45 1k8o s ILE 50 Ca -0.08 -1.02 -0.11 0.00 -2.23 0.00 0.00 60.65 57.22 1k8o s ILE 50 Cb -0.15 -4.01 0.19 0.00 -1.58 0.00 0.00 42.46 36.90 1k8o s ILE 50 CO 0.05 -0.51 1.15 0.35 -1.23 0.00 0.00 174.94 174.75 1k8o n THR 51 N 5.16 0.00 -0.05 2.92 -2.24 -1.26 -2.61 114.28 116.19 1k8o n THR 51 Ca -0.12 -1.07 -0.05 0.00 -2.27 0.00 0.00 64.05 60.54 1k8o n THR 51 Cb 0.44 -1.37 -0.02 0.00 -2.10 0.00 0.00 70.33 67.29 1k8o n THR 51 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1k8o n SER 52 N -3.54 1.18 0.00 3.42 2.88 -1.26 -4.62 113.62 111.68 1k8o n SER 52 Ca 0.15 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 1k8o n SER 52 Cb 0.54 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 1k8o n SER 52 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1k8o n ARG 53 N -3.71 -0.18 -3.61 -1.46 3.00 -1.26 -4.90 116.66 104.55 1k8o n ARG 53 Ca -0.08 0.04 -0.00 0.00 -0.00 0.00 0.00 57.85 57.81 1k8o n ARG 53 Cb 0.30 -3.21 -0.01 0.00 0.00 0.00 0.00 32.46 29.54 1k8o n ARG 53 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1k8o s TYR 54 N -2.71 -0.06 -0.22 -0.14 2.02 -1.26 -4.93 117.35 110.04 1k8o s TYR 54 Ca 0.00 -0.01 -0.11 0.00 -0.37 0.00 0.00 57.07 56.58 1k8o s TYR 54 Cb 0.00 0.53 -0.05 0.00 -0.40 0.00 0.00 41.96 42.04 1k8o s TYR 54 CO 0.00 -0.22 0.17 0.34 -1.57 0.00 0.00 175.55 174.27 1k8o s ASP 55 N -2.68 6.17 0.12 2.29 -1.08 -1.26 -3.95 116.67 116.28 1k8o s ASP 55 Ca 0.13 0.17 -0.01 0.00 -0.52 0.00 0.00 52.55 52.32 1k8o s ASP 55 Cb 0.03 -2.11 -0.04 0.00 -1.46 0.00 0.00 42.92 39.34 1k8o s ASP 55 CO -0.04 0.09 0.05 -0.83 0.52 0.00 0.00 175.17 174.96 1k8o s GLY 56 N 0.85 0.92 -0.29 2.66 0.00 -0.89 -4.72 107.32 105.85 1k8o s GLY 56 Ca 0.08 -1.43 -0.11 0.00 0.00 0.00 0.00 44.72 43.26 1k8o s GLY 56 CO 0.03 -1.35 0.20 0.14 0.00 0.00 0.00 173.10 172.13 1k8o s VAL 57 N -4.03 5.30 -0.22 1.40 1.01 -0.84 0.16 120.40 123.19 1k8o s VAL 57 Ca 0.22 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.17 1k8o s VAL 57 Cb 0.07 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 1k8o s VAL 57 CO 0.01 0.19 0.23 -0.63 0.00 0.00 0.00 175.10 174.89 1k8o s ILE 58 N 1.76 5.32 -0.23 2.22 1.01 0.45 -0.64 121.20 131.09 1k8o s ILE 58 Ca 0.07 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.07 1k8o s ILE 58 Cb -0.16 -3.56 -0.19 0.00 0.01 0.00 0.00 42.46 38.55 1k8o s ILE 58 CO 0.11 0.34 -0.11 1.17 0.00 0.00 0.00 174.94 176.45 1k8o n LYS 59 N 4.14 0.67 -3.71 2.79 4.81 -1.06 0.17 118.16 125.96 1k8o n LYS 59 Ca -0.13 0.17 -0.14 0.00 -0.87 0.00 0.00 58.31 57.34 1k8o n LYS 59 Cb 0.52 -1.56 -0.08 0.00 0.02 0.00 0.00 35.03 33.92 1k8o n LYS 59 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1k8o s LYS 60 N -2.53 0.71 -0.15 1.64 0.00 -1.26 -1.33 119.74 116.82 1k8o s LYS 60 Ca -0.32 0.01 -0.03 0.00 0.00 0.00 0.00 55.97 55.63 1k8o s LYS 60 Cb 0.09 0.32 0.05 0.00 0.00 0.00 0.00 37.83 38.29 1k8o s LYS 60 CO 0.64 -0.19 0.05 -0.51 0.00 0.00 0.00 175.35 175.34 1k8o s LEU 61 N -1.05 0.72 -0.05 2.77 1.02 -1.26 -3.83 118.68 117.00 1k8o s LEU 61 Ca -0.11 -0.56 -0.10 0.00 0.02 0.00 0.00 54.13 53.37 1k8o s LEU 61 Cb -0.04 -0.41 -0.31 0.00 0.02 0.00 0.00 46.19 45.45 1k8o s LEU 61 CO 0.05 -0.30 0.68 0.22 0.02 0.00 0.00 176.35 177.01 1k8o h TYR 62 N 8.33 0.70 -3.23 0.29 3.20 -2.01 -3.47 116.97 120.78 1k8o h TYR 62 Ca -0.16 -0.51 -0.57 0.00 3.14 0.00 0.00 58.73 60.62 1k8o h TYR 62 Cb 1.13 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 39.33 1k8o h TYR 62 CO 0.28 1.66 -0.04 0.71 -1.64 0.00 0.00 178.16 179.14 1k8o s TYR 63 N -2.58 3.79 0.16 -3.82 2.02 -1.26 -4.99 117.35 110.67 1k8o s TYR 63 Ca -0.16 1.25 0.00 0.00 -0.37 0.00 0.00 57.07 57.80 1k8o s TYR 63 Cb 0.05 -2.50 -0.00 0.00 -0.40 0.00 0.00 41.96 39.11 1k8o s TYR 63 CO 0.85 0.56 0.02 0.09 -1.57 0.00 0.00 175.55 175.50 1k8o n ASN 64 N 1.85 2.02 0.28 2.29 4.13 -1.26 -4.94 115.26 119.63 1k8o n ASN 64 Ca -0.10 -1.74 0.15 0.00 1.68 0.00 0.00 54.58 54.57 1k8o n ASN 64 Cb 0.51 0.19 0.79 0.00 -1.54 0.00 0.00 39.78 39.73 1k8o n ASN 64 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1k8o h LEU 65 N 0.00 0.00 0.00 3.41 4.07 -1.93 -1.82 115.31 119.04 1k8o h LEU 65 Ca -0.13 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.69 1k8o h LEU 65 Cb 0.42 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.14 1k8o h LEU 65 CO 0.21 0.00 -1.78 0.47 -1.08 0.00 0.00 178.44 176.26 1k8o n ASP 66 N -2.69 1.82 -4.86 -0.43 8.00 -1.26 -4.04 116.55 113.10 1k8o n ASP 66 Ca -0.02 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.17 1k8o n ASP 66 Cb 0.25 1.16 -0.01 0.00 -0.02 0.00 0.00 41.12 42.50 1k8o n ASP 66 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1k8o s ASP 67 N -4.18 6.41 -0.03 -2.24 -1.08 -0.69 -4.83 116.67 110.03 1k8o s ASP 67 Ca -0.06 1.50 0.00 0.00 -0.52 0.00 0.00 52.55 53.47 1k8o s ASP 67 Cb 0.06 -2.49 -0.03 0.00 -1.46 0.00 0.00 42.92 39.00 1k8o s ASP 67 CO 0.55 -0.74 -0.00 -0.63 0.52 0.00 0.00 175.17 174.87 1k8o s ILE 68 N -2.90 4.17 0.01 4.11 -1.09 -1.26 -2.62 121.20 121.63 1k8o s ILE 68 Ca 0.57 -0.47 0.01 0.00 -2.23 0.00 0.00 60.65 58.53 1k8o s ILE 68 Cb -0.11 -2.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.92 1k8o s ILE 68 CO 0.43 0.47 0.05 0.00 -1.23 0.00 0.00 174.94 174.66 1k8o s ALA 69 N -1.00 3.47 0.11 9.38 0.00 0.11 -4.89 121.76 128.94 1k8o s ALA 69 Ca 0.17 -0.93 0.10 0.00 0.00 0.00 0.00 51.96 51.29 1k8o s ALA 69 Cb -0.11 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 1k8o s ALA 69 CO 0.07 0.69 -0.22 0.71 0.00 0.00 0.00 175.76 177.00 1k8o s TYR 70 N -1.19 2.44 0.24 0.00 2.02 -1.26 -2.81 117.35 116.78 1k8o s TYR 70 Ca 0.23 -0.32 -0.30 0.00 -0.37 0.00 0.00 57.07 56.31 1k8o s TYR 70 Cb -0.12 -1.33 -0.09 0.00 -0.40 0.00 0.00 41.96 40.03 1k8o s TYR 70 CO 0.14 0.33 0.94 0.08 -1.57 0.00 0.00 175.55 175.47 1k8o s VAL 71 N -1.06 4.07 0.00 0.71 1.01 -1.26 -4.06 120.40 119.81 1k8o s VAL 71 Ca 0.16 2.09 0.00 0.00 0.00 0.00 0.00 61.98 64.22 1k8o s VAL 71 Cb -0.10 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 31.95 1k8o s VAL 71 CO 0.07 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1k8o n GLY 72 N 1.49 2.08 3.06 4.51 0.00 -1.26 -4.74 105.19 110.33 1k8o n GLY 72 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1k8o n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k8o s LYS 73 N 0.00 0.21 0.96 1.61 -0.14 -1.26 -5.15 119.74 115.97 1k8o s LYS 73 Ca 0.00 0.48 -0.12 0.00 -1.36 0.00 0.00 55.97 54.97 1k8o s LYS 73 Cb 0.00 -0.08 0.08 0.00 -1.68 0.00 0.00 37.83 36.15 1k8o s LYS 73 CO 0.00 -0.14 0.62 -2.30 -0.76 0.00 0.00 175.35 172.78 1k8o n PRO 74 N 3.99 -0.47 0.00 -1.68 -0.02 -1.26 -4.49 135.00 131.07 1k8o n PRO 74 Ca -0.23 -0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.16 1k8o n PRO 74 Cb 0.54 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1k8o n PRO 74 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1k8o n LEU 75 N -2.32 0.00 -4.00 2.45 -0.00 0.59 -4.94 117.00 108.78 1k8o n LEU 75 Ca 0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.97 1k8o n LEU 75 Cb 0.54 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.84 1k8o n LEU 75 CO 0.50 0.00 -0.38 0.54 -0.00 0.00 0.00 177.39 178.05 1k8o s VAL 76 N -1.97 0.31 -0.13 1.47 0.11 -1.10 -3.97 120.40 115.12 1k8o s VAL 76 Ca 0.00 -0.83 0.01 0.00 -2.93 0.00 0.00 61.98 58.23 1k8o s VAL 76 Cb 0.00 -0.39 -0.01 0.00 -1.53 0.00 0.00 36.38 34.45 1k8o s VAL 76 CO 0.00 -0.34 -0.15 -1.81 -3.33 0.00 0.00 175.10 169.47 1k8o s ASP 77 N -1.24 3.82 0.02 3.54 1.11 -1.25 -0.28 116.67 122.40 1k8o s ASP 77 Ca -0.10 -0.38 -0.00 0.00 0.18 0.00 0.00 52.55 52.25 1k8o s ASP 77 Cb -0.08 -1.57 -0.02 0.00 1.07 0.00 0.00 42.92 42.32 1k8o s ASP 77 CO -0.00 0.16 -0.02 -0.63 1.18 0.00 0.00 175.17 175.86 1k8o s ILE 78 N 0.38 0.10 -0.37 0.77 1.09 0.18 -2.57 121.20 120.78 1k8o s ILE 78 Ca -0.12 -0.84 -0.15 0.00 -1.10 0.00 0.00 60.65 58.44 1k8o s ILE 78 Cb -0.16 -0.25 -0.00 0.00 -1.06 0.00 0.00 42.46 40.98 1k8o s ILE 78 CO 0.06 -0.46 0.34 -1.61 -0.10 0.00 0.00 174.94 173.17 1k8o s GLU 79 N -1.36 3.34 0.05 2.79 0.41 0.18 0.21 118.70 124.33 1k8o s GLU 79 Ca -0.15 -0.65 -0.04 0.00 -0.41 0.00 0.00 54.97 53.72 1k8o s GLU 79 Cb -0.09 -3.87 -0.02 0.00 -1.78 0.00 0.00 34.13 28.37 1k8o s GLU 79 CO -0.01 -0.62 0.06 0.95 -0.49 0.00 0.00 175.26 175.15 1k8o s THR 80 N 1.92 0.17 0.73 3.63 -4.23 -1.26 -1.98 115.64 114.62 1k8o s THR 80 Ca 0.09 -1.36 -0.16 0.00 -1.18 0.00 0.00 61.69 59.09 1k8o s THR 80 Cb -0.17 -1.17 0.01 0.00 1.34 0.00 0.00 72.50 72.52 1k8o s THR 80 CO 0.12 -0.75 0.98 1.21 -0.54 0.00 0.00 174.62 175.64 1k8o n GLU 81 N 0.42 0.46 -1.47 3.99 2.13 -1.26 -4.72 120.64 120.20 1k8o n GLU 81 Ca -0.17 0.22 -0.63 0.00 0.66 0.00 0.00 57.16 57.24 1k8o n GLU 81 Cb 0.60 -2.24 -0.11 0.00 0.27 0.00 0.00 31.44 29.96 1k8o n GLU 81 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1k8o n ALA 82 N -2.61 -0.50 -2.40 4.31 0.00 -1.26 -4.93 120.51 113.12 1k8o n ALA 82 Ca 0.13 0.33 -0.28 0.00 0.00 0.00 0.00 53.44 53.62 1k8o n ALA 82 Cb 0.50 -1.99 -0.14 0.00 0.00 0.00 0.00 19.45 17.81 1k8o n ALA 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1k8o s LEU 83 N 4.60 2.19 0.42 0.00 1.02 -1.26 -5.03 118.68 120.63 1k8o s LEU 83 Ca 1.12 -0.60 0.23 0.00 0.02 0.00 0.00 54.13 54.90 1k8o s LEU 83 Cb -1.49 -1.17 0.48 0.00 0.02 0.00 0.00 46.19 44.03 1k8o s LEU 83 CO 0.73 0.21 1.65 0.07 0.02 0.00 0.00 176.35 179.03 1k8o h LYS 84 N 4.65 0.00 -1.00 1.70 2.10 -1.97 -3.35 116.57 118.70 1k8o h LYS 84 Ca -0.46 0.00 0.21 0.00 -2.00 0.00 0.00 60.65 58.40 1k8o h LYS 84 Cb 1.15 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 32.29 1k8o h LYS 84 CO 0.43 0.13 -0.20 -0.25 -2.00 0.00 0.00 179.45 177.56 1k8o n ASP 85 N -3.16 -0.32 0.31 7.07 9.92 -1.26 0.18 116.55 129.30 1k8o n ASP 85 Ca 0.03 1.71 0.20 0.00 -0.53 0.00 0.00 54.79 56.19 1k8o n ASP 85 Cb 0.53 -0.54 1.04 0.00 -0.64 0.00 0.00 41.12 41.51 1k8o n ASP 85 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1k8o h LEU 86 N 0.00 0.00 0.00 0.64 7.12 -1.90 -3.51 115.31 117.66 1k8o h LEU 86 Ca 0.50 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.51 1k8o h LEU 86 Cb 0.82 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.95 1k8o h LEU 86 CO -1.01 0.01 0.00 -1.84 -0.13 0.00 0.00 178.44 175.47