#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 1.08 3.79 3.03 0.00 -1.26 -5.12 105.19 106.72 1k8o n GLY 2 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1k8o n GLY 2 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1k8o s GLN 3 N -0.15 2.89 -0.03 1.61 -2.07 -1.26 -5.12 119.66 115.53 1k8o s GLN 3 Ca 0.00 -0.81 0.01 0.00 -1.82 0.00 0.00 55.36 52.73 1k8o s GLN 3 Cb 0.00 -2.67 -0.03 0.00 -1.09 0.00 0.00 33.01 29.22 1k8o s GLN 3 CO 0.00 0.51 -0.01 0.14 -1.32 0.00 0.00 175.29 174.61 1k8o s VAL 4 N -1.63 4.10 -0.12 3.63 -7.23 -1.26 -4.74 120.40 113.14 1k8o s VAL 4 Ca 0.30 -0.51 -0.09 0.00 -1.81 0.00 0.00 61.98 59.87 1k8o s VAL 4 Cb -0.11 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 1k8o s VAL 4 CO 0.23 0.46 0.19 0.68 -0.31 0.00 0.00 175.10 176.35 1k8o s VAL 5 N -1.00 5.41 0.04 1.32 -7.23 0.58 -4.75 120.40 114.78 1k8o s VAL 5 Ca 0.17 0.32 0.04 0.00 -1.81 0.00 0.00 61.98 60.70 1k8o s VAL 5 Cb -0.11 -3.47 -0.04 0.00 0.56 0.00 0.00 36.38 33.32 1k8o s VAL 5 CO 0.07 0.57 -0.04 -1.58 -0.31 0.00 0.00 175.10 173.81 1k8o s GLN 6 N -0.72 2.55 -0.16 4.82 -0.44 -1.26 0.12 119.66 124.58 1k8o s GLN 6 Ca 0.15 -0.77 -0.03 0.00 -2.50 0.00 0.00 55.36 52.21 1k8o s GLN 6 Cb -0.13 -2.53 -0.02 0.00 -1.64 0.00 0.00 33.01 28.70 1k8o s GLN 6 CO 0.04 0.58 -0.06 0.12 0.50 0.00 0.00 175.29 176.47 1k8o s PHE 7 N -1.14 2.97 -0.05 1.67 5.36 -0.56 -4.97 117.98 121.26 1k8o s PHE 7 Ca 0.21 -0.44 0.04 0.00 -0.96 0.00 0.00 56.93 55.78 1k8o s PHE 7 Cb -0.11 -1.95 -0.02 0.00 -0.34 0.00 0.00 43.02 40.59 1k8o s PHE 7 CO 0.12 -0.13 -0.16 -1.59 -1.46 0.00 0.00 175.22 172.00 1k8o s LYS 8 N 0.48 2.47 -0.22 10.12 0.00 -1.26 -2.06 119.74 129.27 1k8o s LYS 8 Ca -0.05 -0.74 -0.41 0.00 0.00 0.00 0.00 55.97 54.77 1k8o s LYS 8 Cb -0.15 -2.33 -0.18 0.00 0.00 0.00 0.00 37.83 35.18 1k8o s LYS 8 CO 0.03 0.59 1.50 -0.11 0.00 0.00 0.00 175.35 177.36 1k8o n LEU 9 N 2.40 1.48 0.00 2.77 -0.00 -1.26 -4.94 117.00 117.45 1k8o n LEU 9 Ca -0.17 1.13 -0.27 0.00 -0.00 0.00 0.00 56.01 56.70 1k8o n LEU 9 Cb 0.52 -1.04 -0.07 0.00 -0.00 0.00 0.00 43.42 42.83 1k8o n LEU 9 CO 0.25 -0.94 -0.18 -1.20 -0.00 0.00 0.00 177.39 175.32 1k8o n SER 10 N 3.72 1.84 0.00 1.96 7.64 -1.26 -3.88 113.62 123.63 1k8o n SER 10 Ca 0.25 -3.18 0.00 0.00 1.01 0.00 0.00 58.87 56.95 1k8o n SER 10 Cb 0.08 0.84 0.00 0.00 -1.01 0.00 0.00 64.21 64.12 1k8o n SER 10 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1k8o n ASP 11 N -1.46 0.00 -4.94 6.43 2.03 -1.26 -4.98 116.55 112.36 1k8o n ASP 11 Ca -0.10 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 54.97 1k8o n ASP 11 Cb 0.62 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 41.02 1k8o n ASP 11 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1k8o s ILE 12 N -1.57 4.31 0.72 5.18 1.09 -1.26 -5.05 121.20 124.61 1k8o s ILE 12 Ca 0.00 -0.40 -0.07 0.00 -1.10 0.00 0.00 60.65 59.08 1k8o s ILE 12 Cb 0.00 -3.60 0.08 0.00 -1.06 0.00 0.00 42.46 37.88 1k8o s ILE 12 CO 0.00 -0.44 1.03 -0.83 -0.10 0.00 0.00 174.94 174.60 1k8o s GLY 13 N -4.17 1.71 0.09 6.18 0.00 -1.26 -4.81 107.32 105.05 1k8o s GLY 13 Ca 0.47 -1.05 -0.28 0.00 0.00 0.00 0.00 44.72 43.85 1k8o s GLY 13 CO 0.38 -0.60 1.45 -2.09 0.00 0.00 0.00 173.10 172.25 1k8o h GLU 14 N -0.66 -0.56 -2.15 2.90 4.81 -1.98 -3.33 114.58 113.61 1k8o h GLU 14 Ca -0.43 0.04 -0.57 0.00 -0.13 0.00 0.00 59.36 58.26 1k8o h GLU 14 Cb 1.30 0.13 -0.41 0.00 0.63 0.00 0.00 28.75 30.40 1k8o h GLU 14 CO 0.56 -0.37 -0.80 0.41 -0.73 0.00 0.00 179.01 178.07 1k8o n GLY 15 N -1.39 4.44 0.00 1.92 0.00 -1.26 -4.80 105.19 104.10 1k8o n GLY 15 Ca -0.06 -2.37 0.00 0.00 0.00 0.00 0.00 46.02 43.59 1k8o n GLY 15 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1k8o n ILE 16 N 0.59 0.00 -1.69 -0.61 -5.35 -1.25 -5.12 119.36 105.93 1k8o n ILE 16 Ca 0.28 0.00 -0.40 0.00 -0.27 0.00 0.00 62.75 62.35 1k8o n ILE 16 Cb 0.47 0.00 0.02 0.00 -1.74 0.00 0.00 39.64 38.39 1k8o n ILE 16 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1k8o n ARG 17 N 0.00 1.75 -2.98 6.28 1.74 -1.26 -4.88 116.66 117.31 1k8o n ARG 17 Ca 0.00 0.63 -0.19 0.00 -0.77 0.00 0.00 57.85 57.52 1k8o n ARG 17 Cb 0.00 -2.35 0.04 0.00 -1.02 0.00 0.00 32.46 29.12 1k8o n ARG 17 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1k8o s GLU 18 N -2.32 2.56 0.08 5.56 8.01 -1.26 -4.63 118.70 126.70 1k8o s GLU 18 Ca 0.64 -1.37 0.09 0.00 0.01 0.00 0.00 54.97 54.34 1k8o s GLU 18 Cb -0.49 -2.68 -0.03 0.00 -4.31 0.00 0.00 34.13 26.61 1k8o s GLU 18 CO 0.56 -0.58 -0.25 0.54 0.01 0.00 0.00 175.26 175.54 1k8o s VAL 19 N -2.53 2.08 0.21 2.63 0.11 -1.13 -4.91 120.40 116.86 1k8o s VAL 19 Ca 0.58 -1.49 0.01 0.00 -2.93 0.00 0.00 61.98 58.16 1k8o s VAL 19 Cb -0.08 -1.81 -0.04 0.00 -1.53 0.00 0.00 36.38 32.93 1k8o s VAL 19 CO 0.36 0.23 0.38 -0.89 -3.33 0.00 0.00 175.10 171.85 1k8o s THR 20 N -0.91 5.23 -0.06 5.04 2.01 -1.26 -0.24 115.64 125.45 1k8o s THR 20 Ca 0.11 -0.56 -0.30 0.00 0.31 0.00 0.00 61.69 61.26 1k8o s THR 20 Cb -0.10 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 1k8o s THR 20 CO 0.03 -0.22 1.01 -0.69 -0.69 0.00 0.00 174.62 174.06 1k8o s VAL 21 N -1.91 4.78 -0.12 3.82 1.01 -1.08 -3.81 120.40 123.08 1k8o s VAL 21 Ca 0.37 2.02 0.19 0.00 0.00 0.00 0.00 61.98 64.56 1k8o s VAL 21 Cb -0.11 -4.29 -0.26 0.00 0.00 0.00 0.00 36.38 31.72 1k8o s VAL 21 CO 0.30 0.07 0.39 1.17 0.00 0.00 0.00 175.10 177.02 1k8o n LYS 22 N 4.55 0.66 -3.77 2.72 3.00 0.46 -4.08 118.16 121.71 1k8o n LYS 22 Ca 0.08 -0.04 -0.15 0.00 -0.00 0.00 0.00 58.31 58.20 1k8o n LYS 22 Cb 0.49 -1.58 -0.16 0.00 0.00 0.00 0.00 35.03 33.79 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 -2.99 -0.02 -0.16 1.64 2.56 -0.83 -5.00 118.70 113.91 1k8o s GLU 23 Ca -0.08 0.22 -0.01 0.00 0.00 0.00 0.00 54.97 55.10 1k8o s GLU 23 Cb 0.10 -0.24 0.04 0.00 2.00 0.00 0.00 34.13 36.03 1k8o s GLU 23 CO 0.86 -0.17 -0.04 -1.58 -0.56 0.00 0.00 175.26 173.77 1k8o s TRP 24 N 1.09 1.55 -0.15 5.30 0.23 -1.26 -0.87 118.94 124.82 1k8o s TRP 24 Ca -0.09 -0.97 0.18 0.00 -2.03 0.00 0.00 56.10 53.20 1k8o s TRP 24 Cb -0.13 -1.24 0.37 0.00 0.03 0.00 0.00 33.47 32.50 1k8o s TRP 24 CO -0.03 -0.58 1.24 0.66 0.96 0.00 0.00 176.95 179.19 1k8o n TYR 25 N 4.92 0.30 -3.65 -1.98 4.01 -1.09 -5.04 117.16 114.63 1k8o n TYR 25 Ca -0.11 -0.97 -0.07 0.00 -0.16 0.00 0.00 57.90 56.58 1k8o n TYR 25 Cb 0.48 -0.21 -0.02 0.00 -0.31 0.00 0.00 39.34 39.29 1k8o n TYR 25 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1k8o s VAL 26 N -2.87 0.00 0.26 -0.72 -7.23 -1.26 -4.82 120.40 103.75 1k8o s VAL 26 Ca 0.35 -0.45 -0.09 0.00 -1.81 0.00 0.00 61.98 59.98 1k8o s VAL 26 Cb 0.30 -1.55 -0.01 0.00 0.56 0.00 0.00 36.38 35.69 1k8o s VAL 26 CO 0.05 0.00 0.43 -0.54 -0.31 0.00 0.00 175.10 174.72 1k8o s LYS 27 N -3.52 1.56 0.11 4.82 1.02 -1.26 -4.97 119.74 117.50 1k8o s LYS 27 Ca 0.08 -1.39 -0.33 0.00 0.02 0.00 0.00 55.97 54.34 1k8o s LYS 27 Cb -0.02 0.44 -0.18 0.00 -0.52 0.00 0.00 37.83 37.54 1k8o s LYS 27 CO -0.03 -0.63 0.81 0.39 -0.92 0.00 0.00 175.35 174.98 1k8o n GLU 28 N -0.39 0.11 -0.85 1.68 1.02 -1.26 -0.11 120.64 120.84 1k8o n GLU 28 Ca -0.01 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1k8o n GLU 28 Cb 0.62 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.75 1k8o n GLU 28 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k8o n GLY 29 N 1.78 0.33 3.93 0.62 0.00 0.42 -4.84 105.19 107.44 1k8o n GLY 29 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 1k8o n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k8o s ASP 30 N -2.23 6.35 -0.09 1.61 1.11 0.85 -4.79 116.67 119.47 1k8o s ASP 30 Ca 0.00 0.23 -0.06 0.00 0.18 0.00 0.00 52.55 52.90 1k8o s ASP 30 Cb 0.00 -1.94 -0.04 0.00 1.07 0.00 0.00 42.92 42.01 1k8o s ASP 30 CO 0.00 0.08 0.14 -0.89 1.18 0.00 0.00 175.17 175.69 1k8o s THR 31 N -1.68 5.45 0.41 -1.27 2.01 -1.26 0.18 115.64 119.48 1k8o s THR 31 Ca 0.35 0.10 0.07 0.00 0.31 0.00 0.00 61.69 62.53 1k8o s THR 31 Cb -0.12 -3.41 0.01 0.00 0.01 0.00 0.00 72.50 68.99 1k8o s THR 31 CO 0.28 0.55 0.56 0.68 -0.69 0.00 0.00 174.62 176.00 1k8o s VAL 32 N -1.09 3.23 0.35 3.82 -7.23 0.43 -4.90 120.40 115.00 1k8o s VAL 32 Ca 0.18 -0.98 0.06 0.00 -1.81 0.00 0.00 61.98 59.43 1k8o s VAL 32 Cb -0.12 -3.10 -0.03 0.00 0.56 0.00 0.00 36.38 33.70 1k8o s VAL 32 CO 0.07 -0.04 0.23 -0.55 -0.31 0.00 0.00 175.10 174.51 1k8o s SER 33 N -4.31 1.96 0.19 4.85 0.15 -1.17 -1.67 113.70 113.69 1k8o s SER 33 Ca 0.53 -1.73 -0.12 0.00 0.70 0.00 0.00 55.95 55.33 1k8o s SER 33 Cb -0.10 0.55 0.12 0.00 -1.71 0.00 0.00 66.02 64.88 1k8o s SER 33 CO 0.33 -1.03 1.85 -0.61 1.20 0.00 0.00 173.24 174.98 1k8o h GLN 34 N 2.05 0.80 0.00 5.44 4.15 -1.88 -2.70 115.11 122.97 1k8o h GLN 34 Ca -0.28 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.09 1k8o h GLN 34 Cb 1.24 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.75 1k8o h GLN 34 CO 0.42 0.53 -1.04 0.34 -1.93 0.00 0.00 178.83 177.16 1k8o n PHE 35 N -4.67 0.88 -2.88 3.99 7.35 -1.26 -4.17 117.46 116.70 1k8o n PHE 35 Ca 0.05 0.25 -0.44 0.00 -0.76 0.00 0.00 57.45 56.56 1k8o n PHE 35 Cb 0.04 -0.90 -0.02 0.00 0.35 0.00 0.00 39.48 38.95 1k8o n PHE 35 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1k8o s ASP 36 N -5.20 6.73 0.86 -2.13 1.11 -1.02 -5.01 116.67 112.01 1k8o s ASP 36 Ca -0.00 -2.24 -0.11 0.00 0.18 0.00 0.00 52.55 50.38 1k8o s ASP 36 Cb 0.10 -2.43 0.11 0.00 1.07 0.00 0.00 42.92 41.78 1k8o s ASP 36 CO 0.79 -1.04 1.14 -0.44 1.18 0.00 0.00 175.17 176.80 1k8o s SER 37 N 3.60 3.45 0.00 0.27 0.01 -1.26 -3.06 113.70 116.71 1k8o s SER 37 Ca 0.38 2.11 0.00 0.00 1.31 0.00 0.00 55.95 59.75 1k8o s SER 37 Cb -0.03 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1k8o s SER 37 CO -0.06 -2.75 0.00 -0.38 0.41 0.00 0.00 173.24 170.46 1k8o n ILE 38 N -3.90 0.00 -4.64 1.44 5.41 -0.94 -3.68 119.36 113.05 1k8o n ILE 38 Ca 0.11 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.54 1k8o n ILE 38 Cb 0.52 -0.52 -0.12 0.00 -0.71 0.00 0.00 39.64 38.82 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 -1.05 0.90 0.04 0.00 2.12 -0.05 -1.98 118.70 118.67 1k8o s GLU 40 Ca 0.14 -0.08 0.05 0.00 0.36 0.00 0.00 54.97 55.44 1k8o s GLU 40 Cb -0.11 -0.99 -0.02 0.00 0.26 0.00 0.00 34.13 33.27 1k8o s GLU 40 CO 0.04 -0.16 -0.15 0.14 -0.54 0.00 0.00 175.26 174.59 1k8o s VAL 41 N 1.28 1.17 -0.08 3.70 -7.23 -1.00 0.17 120.40 118.41 1k8o s VAL 41 Ca -0.05 -1.01 -0.00 0.00 -1.81 0.00 0.00 61.98 59.10 1k8o s VAL 41 Cb -0.14 -1.06 0.02 0.00 0.56 0.00 0.00 36.38 35.77 1k8o s VAL 41 CO -0.02 0.03 -0.05 -1.10 -0.31 0.00 0.00 175.10 173.65 1k8o s GLN 42 N -1.13 1.14 0.18 4.82 -0.21 -1.25 -1.96 119.66 121.26 1k8o s GLN 42 Ca 0.02 -0.13 0.10 0.00 0.02 0.00 0.00 55.36 55.37 1k8o s GLN 42 Cb -0.08 -1.25 -0.04 0.00 1.00 0.00 0.00 33.01 32.64 1k8o s GLN 42 CO 0.01 -0.22 -0.22 -1.12 -2.12 0.00 0.00 175.29 171.62 1k8o s SER 43 N 1.56 3.12 0.27 5.90 0.01 -0.99 -4.73 113.70 118.84 1k8o s SER 43 Ca 0.00 -0.85 -0.03 0.00 1.31 0.00 0.00 55.95 56.38 1k8o s SER 43 Cb -0.13 -0.21 0.56 0.00 0.21 0.00 0.00 66.02 66.44 1k8o s SER 43 CO -0.05 0.07 1.64 0.44 0.41 0.00 0.00 173.24 175.75 1k8o h ASP 44 N 3.29 -0.21 0.17 2.44 3.32 -2.00 -2.45 116.42 120.97 1k8o h ASP 44 Ca -0.45 0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 1k8o h ASP 44 Cb 1.20 0.32 -0.00 0.00 0.22 0.00 0.00 39.33 41.07 1k8o h ASP 44 CO 0.48 -0.17 -0.11 0.50 -1.72 0.00 0.00 179.24 178.22 1k8o h LYS 45 N 0.15 -0.25 -3.59 3.56 3.64 -2.00 -3.47 116.57 114.61 1k8o h LYS 45 Ca 0.48 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.79 1k8o h LYS 45 Cb 0.90 0.06 -0.15 0.00 -0.41 0.00 0.00 32.23 32.62 1k8o h LYS 45 CO -0.67 -0.17 -0.30 0.00 -2.27 0.00 0.00 179.45 176.04 1k8o s ALA 46 N -3.72 -0.46 -0.15 5.00 0.00 -0.92 -5.16 121.76 116.34 1k8o s ALA 46 Ca -0.04 -0.33 -0.04 0.00 0.00 0.00 0.00 51.96 51.54 1k8o s ALA 46 Cb 0.01 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.54 1k8o s ALA 46 CO 0.13 -0.48 -0.01 -1.54 0.00 0.00 0.00 175.76 173.86 1k8o s SER 47 N -2.54 5.07 -0.07 0.00 1.04 -1.26 -2.35 113.70 113.59 1k8o s SER 47 Ca 0.01 -0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.43 1k8o s SER 47 Cb 0.02 -1.78 0.01 0.00 0.10 0.00 0.00 66.02 64.37 1k8o s SER 47 CO -0.08 0.20 -0.14 -0.69 0.98 0.00 0.00 173.24 173.51 1k8o s VAL 48 N 0.19 1.28 -0.13 5.02 1.01 -0.83 -5.00 120.40 121.95 1k8o s VAL 48 Ca 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1k8o s VAL 48 Cb -0.13 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 1k8o s VAL 48 CO 0.02 0.39 -0.09 0.42 0.00 0.00 0.00 175.10 175.84 1k8o s THR 49 N 0.57 3.43 -0.45 3.92 -4.23 -1.26 -2.38 115.64 115.23 1k8o s THR 49 Ca -0.14 -0.54 -0.16 0.00 -1.18 0.00 0.00 61.69 59.67 1k8o s THR 49 Cb -0.16 -2.45 0.05 0.00 1.34 0.00 0.00 72.50 71.28 1k8o s THR 49 CO 0.04 0.53 0.39 -0.63 -0.54 0.00 0.00 174.62 174.41 1k8o s ILE 50 N 0.13 5.20 0.60 2.99 -1.09 -0.84 -5.04 121.20 123.15 1k8o s ILE 50 Ca -0.04 -0.82 0.04 0.00 -2.23 0.00 0.00 60.65 57.59 1k8o s ILE 50 Cb -0.14 -4.07 0.11 0.00 -1.58 0.00 0.00 42.46 36.78 1k8o s ILE 50 CO 0.04 -0.49 0.82 0.41 -1.23 0.00 0.00 174.94 174.49 1k8o n THR 51 N 5.24 0.00 -0.00 2.92 -1.04 -1.26 -2.20 114.28 117.94 1k8o n THR 51 Ca -0.11 -1.55 -0.00 0.00 -2.04 0.00 0.00 64.05 60.34 1k8o n THR 51 Cb 0.45 -0.78 -0.00 0.00 -1.82 0.00 0.00 70.33 68.17 1k8o n THR 51 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1k8o n SER 52 N -2.70 4.77 -0.35 8.00 2.88 -1.26 -4.74 113.62 120.22 1k8o n SER 52 Ca 0.15 -0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.64 1k8o n SER 52 Cb 0.53 0.47 -0.02 0.00 -0.75 0.00 0.00 64.21 64.45 1k8o n SER 52 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1k8o n ARG 53 N -2.06 -1.85 -3.74 -1.46 5.12 -1.26 -4.81 116.66 106.59 1k8o n ARG 53 Ca -0.01 0.65 0.03 0.00 -1.93 0.00 0.00 57.85 56.59 1k8o n ARG 53 Cb 0.52 -5.10 0.00 0.00 -1.16 0.00 0.00 32.46 26.72 1k8o n ARG 53 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1k8o s TYR 54 N -1.40 -0.01 -0.29 -1.55 2.02 -1.26 -4.87 117.35 109.99 1k8o s TYR 54 Ca 0.00 -0.07 -0.15 0.00 -0.37 0.00 0.00 57.07 56.48 1k8o s TYR 54 Cb 0.00 0.54 -0.03 0.00 -0.40 0.00 0.00 41.96 42.07 1k8o s TYR 54 CO 0.00 -0.20 0.37 -0.51 -1.57 0.00 0.00 175.55 173.64 1k8o s ASP 55 N -3.29 6.22 0.33 2.29 1.01 -1.26 -3.21 116.67 118.76 1k8o s ASP 55 Ca 0.20 0.11 0.09 0.00 0.71 0.00 0.00 52.55 53.66 1k8o s ASP 55 Cb 0.04 -2.21 -0.06 0.00 1.01 0.00 0.00 42.92 41.70 1k8o s ASP 55 CO -0.03 -0.24 -0.08 -0.83 0.21 0.00 0.00 175.17 174.20 1k8o s GLY 56 N 1.68 2.11 -0.25 0.21 0.00 -0.67 -4.84 107.32 105.56 1k8o s GLY 56 Ca 0.14 -2.05 -0.10 0.00 0.00 0.00 0.00 44.72 42.71 1k8o s GLY 56 CO 0.11 -1.98 0.14 0.14 0.00 0.00 0.00 173.10 171.51 1k8o s VAL 57 N -2.74 5.05 -0.20 1.40 1.01 -0.94 0.16 120.40 124.14 1k8o s VAL 57 Ca 0.32 0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.28 1k8o s VAL 57 Cb 0.03 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 1k8o s VAL 57 CO 0.15 0.32 0.12 -0.63 0.00 0.00 0.00 175.10 175.07 1k8o s ILE 58 N 1.34 5.32 -0.21 2.22 1.01 0.49 -0.99 121.20 130.38 1k8o s ILE 58 Ca 0.06 0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.89 1k8o s ILE 58 Cb -0.15 -3.43 -0.20 0.00 0.01 0.00 0.00 42.46 38.69 1k8o s ILE 58 CO 0.06 0.44 -0.01 1.17 0.00 0.00 0.00 174.94 176.60 1k8o n LYS 59 N 3.56 0.68 -3.60 2.79 4.81 -1.05 0.16 118.16 125.51 1k8o n LYS 59 Ca -0.16 0.17 -0.13 0.00 -0.87 0.00 0.00 58.31 57.32 1k8o n LYS 59 Cb 0.52 -1.58 -0.06 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 0.77 -0.28 1.64 0.00 -1.26 -1.59 119.74 116.49 1k8o s LYS 60 Ca -0.28 0.60 -0.00 0.00 0.00 0.00 0.00 55.97 56.28 1k8o s LYS 60 Cb 0.08 0.37 0.09 0.00 0.00 0.00 0.00 37.83 38.37 1k8o s LYS 60 CO 0.68 -0.16 0.06 -0.51 0.00 0.00 0.00 175.35 175.42 1k8o s LEU 61 N -0.25 2.39 -0.02 2.77 1.43 -1.26 -4.13 118.68 119.61 1k8o s LEU 61 Ca -0.02 -1.49 -0.21 0.00 -1.03 0.00 0.00 54.13 51.37 1k8o s LEU 61 Cb -0.03 -0.95 -0.25 0.00 0.03 0.00 0.00 46.19 44.98 1k8o s LEU 61 CO 0.01 -0.37 1.03 0.22 0.23 0.00 0.00 176.35 177.48 1k8o h TYR 62 N 8.04 0.51 -3.44 0.29 3.20 -2.01 -3.46 116.97 120.10 1k8o h TYR 62 Ca -0.14 -0.30 -0.54 0.00 3.14 0.00 0.00 58.73 60.89 1k8o h TYR 62 Cb 1.04 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.23 1k8o h TYR 62 CO 0.38 1.14 0.12 0.71 -1.64 0.00 0.00 178.16 178.88 1k8o s TYR 63 N -2.98 3.87 0.16 -3.82 1.51 -1.26 -5.05 117.35 109.79 1k8o s TYR 63 Ca -0.14 1.53 0.01 0.00 -1.01 0.00 0.00 57.07 57.46 1k8o s TYR 63 Cb 0.02 -2.70 0.01 0.00 -0.11 0.00 0.00 41.96 39.17 1k8o s TYR 63 CO 0.80 0.52 0.04 0.09 -1.11 0.00 0.00 175.55 175.90 1k8o n ASN 64 N 1.71 2.13 0.08 2.29 4.13 -1.26 -4.96 115.26 119.38 1k8o n ASN 64 Ca -0.07 -1.66 0.20 0.00 1.68 0.00 0.00 54.58 54.73 1k8o n ASN 64 Cb 0.49 0.07 0.74 0.00 -1.54 0.00 0.00 39.78 39.55 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 3.38 -1.95 -2.12 115.31 118.03 1k8o h LEU 65 Ca -0.12 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.64 1k8o h LEU 65 Cb 0.40 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1k8o h LEU 65 CO 0.20 0.00 -2.18 -0.67 0.09 0.00 0.00 178.44 175.89 1k8o n ASP 66 N -3.99 0.04 -4.82 -0.43 -0.08 -1.26 -3.72 116.55 102.29 1k8o n ASP 66 Ca 0.07 0.02 -0.33 0.00 -1.51 0.00 0.00 54.79 53.04 1k8o n ASP 66 Cb 0.55 1.39 -0.02 0.00 2.34 0.00 0.00 41.12 45.38 1k8o n ASP 66 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1k8o s ASP 67 N -5.09 6.28 -0.04 1.67 2.15 -0.80 -4.83 116.67 116.02 1k8o s ASP 67 Ca -0.09 1.75 0.00 0.00 0.43 0.00 0.00 52.55 54.64 1k8o s ASP 67 Cb 0.10 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 40.15 1k8o s ASP 67 CO 0.86 -0.83 0.00 -0.63 -0.17 0.00 0.00 175.17 174.41 1k8o s ILE 68 N -2.39 4.22 0.20 4.11 -1.09 -1.26 -2.65 121.20 122.34 1k8o s ILE 68 Ca 0.63 -0.45 0.08 0.00 -2.23 0.00 0.00 60.65 58.67 1k8o s ILE 68 Cb -0.13 -2.84 -0.04 0.00 -1.58 0.00 0.00 42.46 37.87 1k8o s ILE 68 CO 0.29 0.47 0.00 0.00 -1.23 0.00 0.00 174.94 174.48 1k8o s ALA 69 N -1.00 3.19 0.09 9.38 0.00 0.66 -4.89 121.76 129.19 1k8o s ALA 69 Ca 0.17 -1.44 0.09 0.00 0.00 0.00 0.00 51.96 50.78 1k8o s ALA 69 Cb -0.11 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 1k8o s ALA 69 CO 0.07 0.42 -0.21 0.71 0.00 0.00 0.00 175.76 176.76 1k8o s TYR 70 N -1.87 2.47 0.11 0.00 1.51 -1.26 -2.82 117.35 115.50 1k8o s TYR 70 Ca 0.28 -0.30 -0.27 0.00 -1.01 0.00 0.00 57.07 55.77 1k8o s TYR 70 Cb -0.09 -1.36 -0.06 0.00 -0.11 0.00 0.00 41.96 40.34 1k8o s TYR 70 CO 0.19 0.32 0.85 0.08 -1.11 0.00 0.00 175.55 175.88 1k8o s VAL 71 N -1.04 4.51 0.00 0.71 1.01 -1.25 -4.13 120.40 120.21 1k8o s VAL 71 Ca 0.16 1.83 0.00 0.00 0.00 0.00 0.00 61.98 63.97 1k8o s VAL 71 Cb -0.10 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1k8o s VAL 71 CO 0.07 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1k8o n GLY 72 N 2.09 1.15 3.41 4.51 0.00 -1.26 -4.85 105.19 110.23 1k8o n GLY 72 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.03 0.54 0.63 1.61 -0.14 -1.26 -5.15 119.74 115.94 1k8o s LYS 73 Ca 0.00 0.86 -0.17 0.00 -1.36 0.00 0.00 55.97 55.30 1k8o s LYS 73 Cb 0.00 0.13 -0.10 0.00 -1.68 0.00 0.00 37.83 36.19 1k8o s LYS 73 CO 0.00 -0.12 0.23 -2.30 -0.76 0.00 0.00 175.35 172.39 1k8o n PRO 74 N 3.72 0.26 -0.00 -1.68 -0.02 -1.26 -4.31 135.00 131.70 1k8o n PRO 74 Ca -0.19 0.11 -0.00 0.00 -2.02 0.00 0.00 63.50 61.40 1k8o n PRO 74 Cb 0.56 -1.48 -0.00 0.00 -0.02 0.00 0.00 33.50 32.56 1k8o n PRO 74 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1k8o n LEU 75 N 1.08 0.37 -3.90 2.45 7.94 -0.87 -4.90 117.00 119.17 1k8o n LEU 75 Ca 0.09 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.88 1k8o n LEU 75 Cb 0.49 -0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.32 1k8o n LEU 75 CO 0.52 0.06 -0.26 0.54 -1.11 0.00 0.00 177.39 177.14 1k8o s VAL 76 N -2.00 0.07 -0.25 1.96 0.11 -1.06 -4.26 120.40 114.96 1k8o s VAL 76 Ca -0.00 -0.60 -0.08 0.00 -2.93 0.00 0.00 61.98 58.37 1k8o s VAL 76 Cb 0.00 -0.30 -0.03 0.00 -1.53 0.00 0.00 36.38 34.52 1k8o s VAL 76 CO 0.00 -0.33 0.09 -1.81 -3.33 0.00 0.00 175.10 169.73 1k8o s ASP 77 N -1.05 5.34 0.05 3.54 1.01 -1.26 -1.50 116.67 122.80 1k8o s ASP 77 Ca -0.11 -0.15 0.04 0.00 0.71 0.00 0.00 52.55 53.03 1k8o s ASP 77 Cb -0.07 -1.96 -0.02 0.00 1.01 0.00 0.00 42.92 41.87 1k8o s ASP 77 CO 0.00 -0.02 -0.11 -0.63 0.21 0.00 0.00 175.17 174.62 1k8o s ILE 78 N 1.56 0.82 -0.35 0.77 1.09 0.32 -2.54 121.20 122.88 1k8o s ILE 78 Ca 0.06 -1.11 -0.14 0.00 -1.10 0.00 0.00 60.65 58.36 1k8o s ILE 78 Cb -0.15 -0.82 -0.01 0.00 -1.06 0.00 0.00 42.46 40.42 1k8o s ILE 78 CO 0.05 -0.25 0.31 -1.61 -0.10 0.00 0.00 174.94 173.34 1k8o s GLU 79 N -1.50 3.48 0.04 2.79 0.41 -0.16 0.22 118.70 123.98 1k8o s GLU 79 Ca -0.05 -0.56 -0.02 0.00 -0.41 0.00 0.00 54.97 53.93 1k8o s GLU 79 Cb -0.09 -3.82 -0.03 0.00 -1.78 0.00 0.00 34.13 28.41 1k8o s GLU 79 CO 0.01 -0.51 -0.01 0.95 -0.49 0.00 0.00 175.26 175.21 1k8o s THR 80 N 1.87 0.18 0.60 3.63 -4.23 -1.26 -2.22 115.64 114.21 1k8o s THR 80 Ca 0.09 -1.46 -0.19 0.00 -1.18 0.00 0.00 61.69 58.95 1k8o s THR 80 Cb -0.17 -1.10 -0.04 0.00 1.34 0.00 0.00 72.50 72.53 1k8o s THR 80 CO 0.11 -0.81 1.13 1.21 -0.54 0.00 0.00 174.62 175.72 1k8o n GLU 81 N 0.58 1.10 -1.46 3.99 4.07 -1.26 -4.76 120.64 122.91 1k8o n GLU 81 Ca -0.17 0.42 -0.57 0.00 -0.06 0.00 0.00 57.16 56.78 1k8o n GLU 81 Cb 0.59 -2.34 -0.09 0.00 -0.06 0.00 0.00 31.44 29.54 1k8o n GLU 81 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1k8o n ALA 82 N -1.65 0.31 -2.86 4.31 0.00 -1.26 -4.93 120.51 114.44 1k8o n ALA 82 Ca 0.14 0.17 -0.29 0.00 0.00 0.00 0.00 53.44 53.46 1k8o n ALA 82 Cb 0.47 -2.26 -0.16 0.00 0.00 0.00 0.00 19.45 17.49 1k8o n ALA 82 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1k8o s LEU 83 N 5.72 1.98 0.63 0.00 2.96 -1.26 -5.00 118.68 123.71 1k8o s LEU 83 Ca 1.11 -0.43 0.31 0.00 -0.22 0.00 0.00 54.13 54.90 1k8o s LEU 83 Cb -1.18 -1.16 1.72 0.00 0.50 0.00 0.00 46.19 46.07 1k8o s LEU 83 CO 0.61 0.19 2.04 0.50 -1.32 0.00 0.00 176.35 178.37 1k8o h LYS 84 N 6.20 0.00 -0.47 1.98 3.64 -1.92 0.56 116.57 126.55 1k8o h LYS 84 Ca -0.32 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.16 1k8o h LYS 84 Cb 1.18 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.91 1k8o h LYS 84 CO 0.47 0.00 -0.06 0.22 -2.27 0.00 0.00 179.45 177.81 1k8o h ASP 85 N 0.00 -0.33 0.00 4.20 3.58 -1.98 -3.30 116.42 118.58 1k8o h ASP 85 Ca 0.07 0.13 -0.05 0.00 0.42 0.00 0.00 57.03 57.59 1k8o h ASP 85 Cb 0.61 0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 1k8o h ASP 85 CO -0.00 -0.12 -1.23 0.18 -2.88 0.00 0.00 179.24 175.20 1k8o n LEU 86 N -5.29 0.00 0.00 2.28 4.32 -0.88 -5.20 117.00 112.23 1k8o n LEU 86 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 1k8o n LEU 86 Cb 0.26 0.07 0.00 0.00 -1.62 0.00 0.00 43.42 42.13 1k8o n LEU 86 CO 0.14 0.07 0.00 -1.84 -1.22 0.00 0.00 177.39 174.54