#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 2.95 -5.12 0.00 -1.26 -5.10 105.19 97.74 1k8o n GLY 2 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.48 0.22 0.01 1.61 -0.21 -1.26 -5.16 119.66 114.39 1k8o s GLN 3 Ca 0.00 -0.41 -0.00 0.00 0.02 0.00 0.00 55.36 54.97 1k8o s GLN 3 Cb 0.00 0.08 -0.02 0.00 1.00 0.00 0.00 33.01 34.07 1k8o s GLN 3 CO 0.00 -0.04 -0.02 0.14 -2.12 0.00 0.00 175.29 173.25 1k8o s VAL 4 N -0.99 0.08 -0.09 1.09 -7.23 -1.26 -4.74 120.40 107.26 1k8o s VAL 4 Ca -0.11 -0.70 -0.12 0.00 -1.81 0.00 0.00 61.98 59.25 1k8o s VAL 4 Cb -0.07 -0.20 -0.05 0.00 0.56 0.00 0.00 36.38 36.62 1k8o s VAL 4 CO -0.01 -0.38 0.28 0.68 -0.31 0.00 0.00 175.10 175.36 1k8o s VAL 5 N -1.12 5.28 0.08 1.32 -7.23 0.49 -4.78 120.40 114.45 1k8o s VAL 5 Ca -0.12 0.53 0.09 0.00 -1.81 0.00 0.00 61.98 60.66 1k8o s VAL 5 Cb -0.08 -3.58 -0.04 0.00 0.56 0.00 0.00 36.38 33.25 1k8o s VAL 5 CO -0.01 0.54 -0.22 -1.10 -0.31 0.00 0.00 175.10 174.00 1k8o s GLN 6 N -0.62 1.78 -0.16 4.82 -0.21 -1.25 0.25 119.66 124.26 1k8o s GLN 6 Ca 0.18 -1.15 -0.12 0.00 0.02 0.00 0.00 55.36 54.30 1k8o s GLN 6 Cb -0.14 -2.05 -0.05 0.00 1.00 0.00 0.00 33.01 31.77 1k8o s GLN 6 CO 0.07 0.50 0.21 0.12 -2.12 0.00 0.00 175.29 174.07 1k8o s PHE 7 N -0.99 3.47 -0.06 0.91 5.36 -0.74 -4.90 117.98 121.02 1k8o s PHE 7 Ca 0.15 0.50 0.05 0.00 -0.96 0.00 0.00 56.93 56.67 1k8o s PHE 7 Cb -0.10 -2.22 -0.01 0.00 -0.34 0.00 0.00 43.02 40.34 1k8o s PHE 7 CO 0.06 0.33 -0.23 0.21 -1.46 0.00 0.00 175.22 174.13 1k8o s LYS 8 N 0.19 2.60 -0.36 10.12 2.20 -1.26 0.19 119.74 133.42 1k8o s LYS 8 Ca 0.13 -0.87 -0.40 0.00 -0.36 0.00 0.00 55.97 54.47 1k8o s LYS 8 Cb -0.12 -2.21 -0.15 0.00 -1.51 0.00 0.00 37.83 33.83 1k8o s LYS 8 CO 0.02 0.39 1.95 -0.11 -0.36 0.00 0.00 175.35 177.24 1k8o n LEU 9 N 2.93 1.92 -3.35 5.43 -0.00 -1.26 -4.88 117.00 117.79 1k8o n LEU 9 Ca -0.17 0.80 -0.26 0.00 -0.00 0.00 0.00 56.01 56.38 1k8o n LEU 9 Cb 0.52 -1.11 -0.08 0.00 -0.00 0.00 0.00 43.42 42.74 1k8o n LEU 9 CO 0.26 -0.61 -0.22 -0.24 -0.00 0.00 0.00 177.39 176.57 1k8o n SER 10 N 7.08 0.84 0.00 1.96 2.88 -1.26 -4.31 113.62 120.81 1k8o n SER 10 Ca 0.37 -2.78 0.00 0.00 -1.33 0.00 0.00 58.87 55.13 1k8o n SER 10 Cb 0.11 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 1k8o n SER 10 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1k8o n ASP 11 N 1.75 0.89 -4.31 -3.46 -0.08 -1.26 -5.09 116.55 104.99 1k8o n ASP 11 Ca 0.25 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 53.26 1k8o n ASP 11 Cb 0.48 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.89 1k8o n ASP 11 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1k8o n ILE 12 N -1.75 0.00 -2.58 5.18 -0.00 -1.26 -5.04 119.36 113.92 1k8o n ILE 12 Ca 0.00 -2.03 -0.22 0.00 -0.00 0.00 0.00 62.75 60.50 1k8o n ILE 12 Cb 0.11 0.33 0.05 0.00 -0.00 0.00 0.00 39.64 40.14 1k8o n ILE 12 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 1k8o s GLY 13 N -3.46 1.80 -1.07 3.28 0.00 -1.26 -4.78 107.32 101.83 1k8o s GLY 13 Ca 0.04 -1.35 -0.19 0.00 0.00 0.00 0.00 44.72 43.21 1k8o s GLY 13 CO 0.03 -1.00 1.40 -0.54 0.00 0.00 0.00 173.10 172.99 1k8o s GLU 14 N -4.89 3.75 0.00 2.90 2.02 -1.26 -3.73 118.70 117.49 1k8o s GLU 14 Ca 0.59 -1.71 0.00 0.00 0.02 0.00 0.00 54.97 53.87 1k8o s GLU 14 Cb -0.09 -5.21 0.00 0.00 0.10 0.00 0.00 34.13 28.92 1k8o s GLU 14 CO 0.40 -2.02 0.00 0.41 0.02 0.00 0.00 175.26 174.07 1k8o n GLY 15 N 5.75 2.99 1.25 -1.39 0.00 -1.26 -5.12 105.19 107.41 1k8o n GLY 15 Ca 0.34 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 0.00 -1.37 -0.61 -5.35 -1.24 -5.01 119.36 105.78 1k8o n ILE 16 Ca 0.00 -0.31 -0.36 0.00 -0.27 0.00 0.00 62.75 61.82 1k8o n ILE 16 Cb 0.00 -1.78 0.09 0.00 -1.74 0.00 0.00 39.64 36.21 1k8o n ILE 16 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 1k8o n ARG 17 N -1.97 0.53 -2.92 6.28 1.85 -1.26 -4.91 116.66 114.26 1k8o n ARG 17 Ca 0.05 0.24 -0.19 0.00 -1.00 0.00 0.00 57.85 56.95 1k8o n ARG 17 Cb 0.19 -2.25 0.04 0.00 -1.05 0.00 0.00 32.46 29.39 1k8o n ARG 17 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1k8o s GLU 18 N -3.37 2.50 0.06 2.89 8.01 -1.26 -4.74 118.70 122.79 1k8o s GLU 18 Ca 0.74 -1.30 0.08 0.00 0.01 0.00 0.00 54.97 54.50 1k8o s GLU 18 Cb -0.34 -2.64 -0.03 0.00 -4.31 0.00 0.00 34.13 26.80 1k8o s GLU 18 CO 0.50 -0.64 -0.20 0.54 0.01 0.00 0.00 175.26 175.46 1k8o s VAL 19 N -2.59 2.65 0.22 2.63 0.11 -1.13 -4.89 120.40 117.39 1k8o s VAL 19 Ca 0.59 -1.33 0.02 0.00 -2.93 0.00 0.00 61.98 58.33 1k8o s VAL 19 Cb -0.08 -2.13 -0.04 0.00 -1.53 0.00 0.00 36.38 32.61 1k8o s VAL 19 CO 0.37 0.28 0.37 -0.89 -3.33 0.00 0.00 175.10 171.90 1k8o s THR 20 N -0.96 5.24 0.11 5.04 2.01 -1.26 0.00 115.64 125.82 1k8o s THR 20 Ca 0.15 -0.66 -0.30 0.00 0.31 0.00 0.00 61.69 61.19 1k8o s THR 20 Cb -0.10 -3.79 -0.06 0.00 0.01 0.00 0.00 72.50 68.56 1k8o s THR 20 CO 0.06 -0.25 0.97 -0.69 -0.69 0.00 0.00 174.62 174.02 1k8o s VAL 21 N -1.93 4.48 -0.20 3.82 1.01 -1.08 -3.82 120.40 122.68 1k8o s VAL 21 Ca 0.36 2.05 0.06 0.00 0.00 0.00 0.00 61.98 64.45 1k8o s VAL 21 Cb -0.10 -4.31 -0.17 0.00 0.00 0.00 0.00 36.38 31.80 1k8o s VAL 21 CO 0.30 0.31 -0.11 1.17 0.00 0.00 0.00 175.10 176.76 1k8o n LYS 22 N 2.82 0.76 -4.14 2.72 0.00 0.37 -4.09 118.16 116.60 1k8o n LYS 22 Ca 0.03 0.08 -0.27 0.00 0.00 0.00 0.00 58.31 58.15 1k8o n LYS 22 Cb 0.49 -1.44 -0.17 0.00 0.00 0.00 0.00 35.03 33.91 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 -2.43 1.68 -0.19 1.64 2.12 -0.83 -4.96 118.70 115.73 1k8o s GLU 23 Ca -0.23 -0.34 0.01 0.00 0.36 0.00 0.00 54.97 54.77 1k8o s GLU 23 Cb 0.07 -1.60 0.04 0.00 0.26 0.00 0.00 34.13 32.90 1k8o s GLU 23 CO 0.57 -0.17 -0.11 -1.58 -0.54 0.00 0.00 175.26 173.43 1k8o s TRP 24 N 1.35 2.42 -0.13 5.30 0.52 -1.26 -0.62 118.94 126.52 1k8o s TRP 24 Ca -0.01 -1.56 0.15 0.00 0.02 0.00 0.00 56.10 54.69 1k8o s TRP 24 Cb -0.14 -1.66 0.32 0.00 -1.15 0.00 0.00 33.47 30.85 1k8o s TRP 24 CO -0.05 -0.74 1.16 0.66 0.02 0.00 0.00 176.95 178.01 1k8o n TYR 25 N 4.69 0.00 -3.77 -1.98 4.02 -1.07 -5.05 117.16 113.99 1k8o n TYR 25 Ca -0.15 -1.03 -0.10 0.00 -0.01 0.00 0.00 57.90 56.61 1k8o n TYR 25 Cb 0.47 -0.18 -0.05 0.00 -0.02 0.00 0.00 39.34 39.56 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 -2.43 0.08 0.25 -0.72 -7.23 -1.25 -4.81 120.40 104.29 1k8o s VAL 26 Ca 0.31 -0.91 -0.04 0.00 -1.81 0.00 0.00 61.98 59.53 1k8o s VAL 26 Cb 0.29 -1.41 -0.02 0.00 0.56 0.00 0.00 36.38 35.80 1k8o s VAL 26 CO -0.03 -0.35 0.32 -0.54 -0.31 0.00 0.00 175.10 174.19 1k8o s LYS 27 N -3.86 1.50 0.30 4.82 -0.14 -1.26 -5.05 119.74 116.04 1k8o s LYS 27 Ca 0.07 -1.56 -0.30 0.00 -1.36 0.00 0.00 55.97 52.82 1k8o s LYS 27 Cb 0.02 0.37 -0.12 0.00 -1.68 0.00 0.00 37.83 36.42 1k8o s LYS 27 CO -0.08 -0.57 1.48 0.39 -0.76 0.00 0.00 175.35 175.81 1k8o n GLU 28 N -0.39 2.42 -0.87 1.68 1.02 -1.26 -1.43 120.64 121.81 1k8o n GLU 28 Ca 0.01 0.86 0.00 0.00 -0.02 0.00 0.00 57.16 58.01 1k8o n GLU 28 Cb 0.63 -2.57 0.00 0.00 -0.02 0.00 0.00 31.44 29.49 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 1.73 0.55 3.93 0.62 0.00 0.43 -4.89 105.19 107.56 1k8o n GLY 29 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.45 6.36 0.13 1.61 1.11 0.71 -4.80 116.67 119.34 1k8o s ASP 30 Ca 0.00 0.28 0.01 0.00 0.18 0.00 0.00 52.55 53.01 1k8o s ASP 30 Cb 0.00 -1.96 -0.04 0.00 1.07 0.00 0.00 42.92 41.99 1k8o s ASP 30 CO 0.00 0.02 0.28 -0.89 1.18 0.00 0.00 175.17 175.77 1k8o s THR 31 N -1.77 5.31 0.28 -1.27 2.01 -1.26 0.16 115.64 119.09 1k8o s THR 31 Ca 0.36 -0.47 0.09 0.00 0.31 0.00 0.00 61.69 61.98 1k8o s THR 31 Cb -0.11 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 1k8o s THR 31 CO 0.29 -0.02 0.08 0.68 -0.69 0.00 0.00 174.62 174.96 1k8o s VAL 32 N -1.68 3.65 0.38 3.82 -7.23 0.43 -4.88 120.40 114.90 1k8o s VAL 32 Ca 0.36 -1.73 0.05 0.00 -1.81 0.00 0.00 61.98 58.85 1k8o s VAL 32 Cb -0.12 -3.02 -0.03 0.00 0.56 0.00 0.00 36.38 33.77 1k8o s VAL 32 CO 0.28 -0.33 0.17 -0.55 -0.31 0.00 0.00 175.10 174.36 1k8o s SER 33 N -3.76 2.45 0.47 4.85 0.15 -1.23 -2.03 113.70 114.61 1k8o s SER 33 Ca 0.33 -1.69 0.26 0.00 0.70 0.00 0.00 55.95 55.54 1k8o s SER 33 Cb -0.06 0.52 1.05 0.00 -1.71 0.00 0.00 66.02 65.82 1k8o s SER 33 CO 0.22 -0.97 1.88 1.56 1.20 0.00 0.00 173.24 177.13 1k8o h GLN 34 N 1.89 0.00 0.00 5.44 4.20 -1.91 -3.03 115.11 121.70 1k8o h GLN 34 Ca -0.33 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.34 1k8o h GLN 34 Cb 1.26 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.04 1k8o h GLN 34 CO 0.51 0.19 -2.02 1.19 -0.67 0.00 0.00 178.83 178.03 1k8o n PHE 35 N -3.39 0.00 -3.24 2.96 3.01 -1.26 -4.41 117.46 111.12 1k8o n PHE 35 Ca -0.00 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.01 1k8o n PHE 35 Cb 0.39 -0.54 -0.06 0.00 -0.01 0.00 0.00 39.48 39.26 1k8o n PHE 35 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1k8o s ASP 36 N -4.57 6.18 0.79 4.37 1.11 -1.14 -5.05 116.67 118.37 1k8o s ASP 36 Ca -0.08 -1.46 -0.11 0.00 0.18 0.00 0.00 52.55 51.08 1k8o s ASP 36 Cb 0.13 -2.24 0.07 0.00 1.07 0.00 0.00 42.92 41.94 1k8o s ASP 36 CO 0.88 -0.90 1.10 -0.94 1.18 0.00 0.00 175.17 176.49 1k8o s SER 37 N 3.28 4.26 0.00 0.27 1.04 -1.26 -3.47 113.70 117.82 1k8o s SER 37 Ca 0.07 1.90 0.00 0.00 0.48 0.00 0.00 55.95 58.41 1k8o s SER 37 Cb -0.26 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.33 1k8o s SER 37 CO 0.06 -2.20 0.00 -0.38 0.98 0.00 0.00 173.24 171.70 1k8o n ILE 38 N -3.57 0.00 -4.07 -1.02 5.41 -0.99 -4.10 119.36 111.02 1k8o n ILE 38 Ca 0.10 0.45 -0.08 0.00 1.00 0.00 0.00 62.75 64.22 1k8o n ILE 38 Cb 0.53 -1.38 -0.10 0.00 -0.71 0.00 0.00 39.64 37.97 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 -3.28 -0.05 0.02 0.00 2.02 0.21 -1.30 118.70 116.32 1k8o s GLU 40 Ca 0.02 0.29 0.07 0.00 0.02 0.00 0.00 54.97 55.37 1k8o s GLU 40 Cb 0.03 -0.36 -0.03 0.00 0.10 0.00 0.00 34.13 33.87 1k8o s GLU 40 CO -0.07 -0.24 -0.22 0.14 0.02 0.00 0.00 175.26 174.89 1k8o s VAL 41 N 1.59 2.49 -0.04 2.63 -7.23 -0.44 0.14 120.40 119.55 1k8o s VAL 41 Ca -0.03 -1.16 0.05 0.00 -1.81 0.00 0.00 61.98 59.02 1k8o s VAL 41 Cb -0.12 -1.98 -0.01 0.00 0.56 0.00 0.00 36.38 34.83 1k8o s VAL 41 CO -0.03 0.43 -0.17 -1.10 -0.31 0.00 0.00 175.10 173.92 1k8o s GLN 42 N -1.11 1.69 0.17 4.82 -0.21 -1.25 -1.02 119.66 122.75 1k8o s GLN 42 Ca 0.12 -0.61 0.09 0.00 0.02 0.00 0.00 55.36 54.99 1k8o s GLN 42 Cb -0.10 -1.51 -0.04 0.00 1.00 0.00 0.00 33.01 32.36 1k8o s GLN 42 CO 0.02 0.27 -0.21 0.45 -2.12 0.00 0.00 175.29 173.71 1k8o s SER 43 N -0.06 2.93 0.64 5.90 0.15 0.30 -4.66 113.70 118.90 1k8o s SER 43 Ca -0.01 -0.85 0.30 0.00 0.70 0.00 0.00 55.95 56.09 1k8o s SER 43 Cb -0.10 -0.19 1.61 0.00 -1.71 0.00 0.00 66.02 65.63 1k8o s SER 43 CO 0.01 0.03 1.94 -0.78 1.20 0.00 0.00 173.24 175.64 1k8o h ASP 44 N 3.32 0.00 0.00 5.45 3.58 -2.00 -2.07 116.42 124.69 1k8o h ASP 44 Ca -0.44 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 56.88 1k8o h ASP 44 Cb 1.20 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.23 1k8o h ASP 44 CO 0.49 0.00 -0.74 0.07 -2.88 0.00 0.00 179.24 176.17 1k8o h LYS 45 N 0.00 0.00 -3.67 0.28 2.10 -1.99 -3.49 116.57 109.80 1k8o h LYS 45 Ca 0.06 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.64 1k8o h LYS 45 Cb 0.77 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 31.97 1k8o h LYS 45 CO -0.00 0.88 -0.23 0.00 -2.00 0.00 0.00 179.45 178.10 1k8o s ALA 46 N -2.35 -0.40 -0.28 0.07 0.00 -0.78 -5.14 121.76 112.88 1k8o s ALA 46 Ca -0.23 -0.53 -0.08 0.00 0.00 0.00 0.00 51.96 51.11 1k8o s ALA 46 Cb 0.02 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 1k8o s ALA 46 CO 0.57 -0.63 0.10 -1.12 0.00 0.00 0.00 175.76 174.67 1k8o s SER 47 N -2.89 5.24 -0.12 0.00 0.01 -1.26 -0.54 113.70 114.15 1k8o s SER 47 Ca 0.09 -0.45 -0.02 0.00 1.31 0.00 0.00 55.95 56.89 1k8o s SER 47 Cb 0.03 -1.93 -0.03 0.00 0.21 0.00 0.00 66.02 64.30 1k8o s SER 47 CO -0.06 -0.13 -0.05 -0.69 0.41 0.00 0.00 173.24 172.72 1k8o s VAL 48 N 1.58 3.79 -0.09 3.43 1.01 -0.19 -5.00 120.40 124.93 1k8o s VAL 48 Ca 0.05 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1k8o s VAL 48 Cb -0.16 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.62 1k8o s VAL 48 CO 0.04 0.54 -0.16 0.42 0.00 0.00 0.00 175.10 175.94 1k8o s THR 49 N -0.15 1.50 -0.46 3.92 -4.23 -1.26 -1.33 115.64 113.63 1k8o s THR 49 Ca 0.02 -0.68 -0.16 0.00 -1.18 0.00 0.00 61.69 59.70 1k8o s THR 49 Cb -0.13 -1.34 0.06 0.00 1.34 0.00 0.00 72.50 72.42 1k8o s THR 49 CO 0.03 0.44 0.38 -0.63 -0.54 0.00 0.00 174.62 174.30 1k8o s ILE 50 N 0.68 5.22 0.74 2.99 -1.09 -0.42 -5.01 121.20 124.31 1k8o s ILE 50 Ca -0.13 -0.92 -0.05 0.00 -2.23 0.00 0.00 60.65 57.32 1k8o s ILE 50 Cb -0.16 -4.08 0.16 0.00 -1.58 0.00 0.00 42.46 36.79 1k8o s ILE 50 CO 0.03 -0.52 1.01 0.35 -1.23 0.00 0.00 174.94 174.59 1k8o n THR 51 N 5.22 0.00 -0.11 2.92 -2.24 -1.26 -2.34 114.28 116.47 1k8o n THR 51 Ca -0.12 -1.28 -0.22 0.00 -2.27 0.00 0.00 64.05 60.16 1k8o n THR 51 Cb 0.45 -1.12 -0.09 0.00 -2.10 0.00 0.00 70.33 67.47 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 -3.18 1.84 0.00 3.42 2.88 -1.26 -4.62 113.62 112.70 1k8o n SER 52 Ca 0.15 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1k8o n SER 52 Cb 0.54 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 1k8o n SER 52 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1k8o n ARG 53 N -3.77 -1.39 -3.64 -1.46 1.85 -1.26 -4.85 116.66 102.12 1k8o n ARG 53 Ca -0.44 0.35 0.03 0.00 -1.00 0.00 0.00 57.85 56.79 1k8o n ARG 53 Cb 0.85 -4.45 -0.00 0.00 -1.05 0.00 0.00 32.46 27.81 1k8o n ARG 53 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1k8o s TYR 54 N -1.29 -0.02 -0.27 2.89 2.02 -1.26 -4.91 117.35 114.51 1k8o s TYR 54 Ca 0.00 -0.04 -0.12 0.00 -0.37 0.00 0.00 57.07 56.54 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 -0.16 0.24 -0.51 -1.57 0.00 0.00 175.55 173.55 1k8o s ASP 55 N -3.10 6.12 0.15 2.29 1.01 -1.26 -3.75 116.67 118.13 1k8o s ASP 55 Ca 0.17 0.11 0.00 0.00 0.71 0.00 0.00 52.55 53.54 1k8o s ASP 55 Cb 0.05 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 41.80 1k8o s ASP 55 CO -0.05 -0.06 0.03 -0.83 0.21 0.00 0.00 175.17 174.47 1k8o s GLY 56 N 1.55 1.11 -0.25 0.21 0.00 -0.86 -4.72 107.32 104.37 1k8o s GLY 56 Ca 0.10 -1.53 -0.09 0.00 0.00 0.00 0.00 44.72 43.20 1k8o s GLY 56 CO 0.09 -1.45 0.11 0.14 0.00 0.00 0.00 173.10 171.99 1k8o s VAL 57 N -3.85 4.74 -0.23 1.40 1.01 -0.92 0.16 120.40 122.71 1k8o s VAL 57 Ca 0.24 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 1k8o s VAL 57 Cb 0.07 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 1k8o s VAL 57 CO 0.03 0.34 0.22 -0.63 0.00 0.00 0.00 175.10 175.06 1k8o s ILE 58 N 1.40 5.32 -0.23 2.22 1.01 0.42 -1.21 121.20 130.12 1k8o s ILE 58 Ca 0.06 0.32 0.01 0.00 0.00 0.00 0.00 60.65 61.03 1k8o s ILE 58 Cb -0.15 -3.56 -0.19 0.00 0.01 0.00 0.00 42.46 38.58 1k8o s ILE 58 CO 0.05 0.32 -0.12 1.17 0.00 0.00 0.00 174.94 176.37 1k8o n LYS 59 N 4.33 0.67 -3.76 2.79 4.81 -1.09 0.16 118.16 126.08 1k8o n LYS 59 Ca -0.13 0.17 -0.13 0.00 -0.87 0.00 0.00 58.31 57.34 1k8o n LYS 59 Cb 0.52 -1.55 -0.11 0.00 0.02 0.00 0.00 35.03 33.91 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 0.38 -0.01 1.64 0.00 -1.26 -1.34 119.74 116.62 1k8o s LYS 60 Ca -0.32 0.47 0.01 0.00 0.00 0.00 0.00 55.97 56.12 1k8o s LYS 60 Cb 0.09 0.18 0.01 0.00 0.00 0.00 0.00 37.83 38.11 1k8o s LYS 60 CO 0.64 -0.05 -0.01 -0.51 0.00 0.00 0.00 175.35 175.41 1k8o s LEU 61 N 0.21 1.61 -0.11 2.77 1.02 -1.26 -3.85 118.68 119.07 1k8o s LEU 61 Ca -0.00 -0.04 0.02 0.00 0.02 0.00 0.00 54.13 54.13 1k8o s LEU 61 Cb -0.03 -0.18 -0.08 0.00 0.02 0.00 0.00 46.19 45.92 1k8o s LEU 61 CO 0.00 -0.03 -0.08 0.00 0.02 0.00 0.00 176.35 176.26 1k8o n TYR 62 N 3.54 0.00 -3.09 0.29 4.19 -1.26 -4.85 117.16 115.97 1k8o n TYR 62 Ca -0.19 0.00 -0.39 0.00 3.31 0.00 0.00 57.90 60.62 1k8o n TYR 62 Cb 0.55 -0.44 -0.05 0.00 0.49 0.00 0.00 39.34 39.89 1k8o n TYR 62 CO 0.00 0.00 0.00 0.71 0.91 0.00 0.00 176.86 178.48 1k8o s TYR 63 N -2.22 3.69 0.16 2.98 1.51 -1.26 -5.00 117.35 117.20 1k8o s TYR 63 Ca -0.14 1.32 0.01 0.00 -1.01 0.00 0.00 57.07 57.25 1k8o s TYR 63 Cb 0.04 -2.72 0.01 0.00 -0.11 0.00 0.00 41.96 39.18 1k8o s TYR 63 CO 0.28 0.29 0.06 0.09 -1.11 0.00 0.00 175.55 175.15 1k8o n ASN 64 N 2.87 1.98 0.19 2.29 3.02 -1.26 -4.93 115.26 119.42 1k8o n ASN 64 Ca -0.04 -1.61 0.18 0.00 -0.03 0.00 0.00 54.58 53.08 1k8o n ASN 64 Cb 0.51 0.05 0.79 0.00 -0.61 0.00 0.00 39.78 40.52 1k8o n ASN 64 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1k8o h LEU 65 N 0.00 0.00 0.00 3.41 4.07 -1.93 -1.67 115.31 119.18 1k8o h LEU 65 Ca -0.11 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.62 1k8o h LEU 65 Cb 0.37 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.07 1k8o h LEU 65 CO 0.18 0.00 -2.22 0.47 -1.08 0.00 0.00 178.44 175.80 1k8o n ASP 66 N -3.48 0.10 -4.80 -0.43 9.92 -1.26 -3.81 116.55 112.79 1k8o n ASP 66 Ca 0.03 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 53.96 1k8o n ASP 66 Cb 0.48 1.36 -0.02 0.00 -0.64 0.00 0.00 41.12 42.30 1k8o n ASP 66 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1k8o s ASP 67 N -5.07 6.23 -0.04 -2.24 1.11 -0.63 -4.83 116.67 111.20 1k8o s ASP 67 Ca -0.09 1.87 0.00 0.00 0.18 0.00 0.00 52.55 54.51 1k8o s ASP 67 Cb 0.09 -2.55 -0.03 0.00 1.07 0.00 0.00 42.92 41.50 1k8o s ASP 67 CO 0.84 -0.86 -0.02 -0.63 1.18 0.00 0.00 175.17 175.68 1k8o s ILE 68 N -2.16 4.05 0.02 0.77 -1.09 -1.26 -2.62 121.20 118.92 1k8o s ILE 68 Ca 0.66 -0.48 0.02 0.00 -2.23 0.00 0.00 60.65 58.62 1k8o s ILE 68 Cb -0.16 -2.74 -0.04 0.00 -1.58 0.00 0.00 42.46 37.95 1k8o s ILE 68 CO 0.25 0.50 -0.01 0.00 -1.23 0.00 0.00 174.94 174.45 1k8o s ALA 69 N -0.95 3.25 0.05 9.38 0.00 0.10 -4.89 121.76 128.70 1k8o s ALA 69 Ca 0.16 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1k8o s ALA 69 Cb -0.11 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 1k8o s ALA 69 CO 0.05 0.66 0.08 -0.47 0.00 0.00 0.00 175.76 176.08 1k8o s TYR 70 N -1.12 3.22 -0.07 0.00 6.14 -1.26 -2.85 117.35 121.40 1k8o s TYR 70 Ca 0.21 0.12 -0.30 0.00 0.64 0.00 0.00 57.07 57.74 1k8o s TYR 70 Cb -0.11 -1.67 -0.02 0.00 0.42 0.00 0.00 41.96 40.58 1k8o s TYR 70 CO 0.12 0.53 1.01 0.08 0.64 0.00 0.00 175.55 177.93 1k8o s VAL 71 N -1.31 4.78 0.00 3.14 1.01 -1.26 -3.93 120.40 122.82 1k8o s VAL 71 Ca 0.27 2.02 0.00 0.00 0.00 0.00 0.00 61.98 64.27 1k8o s VAL 71 Cb -0.12 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.96 1k8o s VAL 71 CO 0.19 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.95 1k8o n GLY 72 N 3.05 1.20 3.28 4.51 0.00 -1.26 -4.73 105.19 111.23 1k8o n GLY 72 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 0.40 1.02 1.61 1.02 -1.25 -5.13 119.74 117.41 1k8o s LYS 73 Ca 0.00 0.81 -0.19 0.00 0.02 0.00 0.00 55.97 56.61 1k8o s LYS 73 Cb 0.00 -0.00 -0.04 0.00 -0.52 0.00 0.00 37.83 37.27 1k8o s LYS 73 CO 0.00 -0.16 -0.42 -2.30 -0.92 0.00 0.00 175.35 171.54 1k8o n PRO 74 N 4.32 -0.57 0.00 -1.68 -0.02 -1.26 -4.08 135.00 131.72 1k8o n PRO 74 Ca -0.23 -0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.10 1k8o n PRO 74 Cb 0.55 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 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 0.69 0.00 -4.02 2.45 -0.00 0.49 -4.80 117.00 111.82 1k8o n LEU 75 Ca 0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.94 1k8o n LEU 75 Cb 0.62 -0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.94 1k8o n LEU 75 CO 0.50 -0.01 -0.29 0.54 -0.00 0.00 0.00 177.39 178.13 1k8o s VAL 76 N -2.00 0.19 -0.19 1.96 0.11 -1.07 -4.37 120.40 115.03 1k8o s VAL 76 Ca 0.00 -1.55 0.00 0.00 -2.93 0.00 0.00 61.98 57.50 1k8o s VAL 76 Cb 0.00 -1.35 0.02 0.00 -1.53 0.00 0.00 36.38 33.52 1k8o s VAL 76 CO 0.00 -0.86 -0.18 -1.81 -3.33 0.00 0.00 175.10 168.93 1k8o s ASP 77 N -2.75 3.31 0.06 3.54 1.11 -1.25 -1.80 116.67 118.90 1k8o s ASP 77 Ca 0.04 -0.62 0.04 0.00 0.18 0.00 0.00 52.55 52.19 1k8o s ASP 77 Cb 0.05 -1.52 -0.03 0.00 1.07 0.00 0.00 42.92 42.50 1k8o s ASP 77 CO -0.09 -0.01 -0.12 -0.63 1.18 0.00 0.00 175.17 175.50 1k8o s ILE 78 N 1.32 0.93 -0.37 0.77 1.09 0.14 -2.66 121.20 122.42 1k8o s ILE 78 Ca 0.05 -1.18 -0.14 0.00 -1.10 0.00 0.00 60.65 58.28 1k8o s ILE 78 Cb -0.13 -0.91 -0.00 0.00 -1.06 0.00 0.00 42.46 40.35 1k8o s ILE 78 CO -0.11 -0.24 0.29 -1.61 -0.10 0.00 0.00 174.94 173.17 1k8o s GLU 79 N -1.59 3.33 0.05 2.79 2.02 -0.35 0.19 118.70 125.14 1k8o s GLU 79 Ca -0.04 -0.73 -0.05 0.00 0.02 0.00 0.00 54.97 54.18 1k8o s GLU 79 Cb -0.10 -3.87 -0.02 0.00 0.10 0.00 0.00 34.13 30.25 1k8o s GLU 79 CO 0.02 -0.57 0.07 0.95 0.02 0.00 0.00 175.26 175.75 1k8o s THR 80 N 1.78 0.16 0.76 3.63 -4.23 -1.26 -2.17 115.64 114.31 1k8o s THR 80 Ca 0.07 -1.33 -0.15 0.00 -1.18 0.00 0.00 61.69 59.10 1k8o s THR 80 Cb -0.18 -1.17 0.03 0.00 1.34 0.00 0.00 72.50 72.52 1k8o s THR 80 CO 0.11 -0.73 0.99 1.21 -0.54 0.00 0.00 174.62 175.65 1k8o n GLU 81 N 0.40 0.38 -1.38 3.99 2.13 -1.26 -4.71 120.64 120.20 1k8o n GLU 81 Ca -0.17 0.19 -0.59 0.00 0.66 0.00 0.00 57.16 57.26 1k8o n GLU 81 Cb 0.60 -2.25 -0.10 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 -2.76 -0.55 -2.44 4.31 0.00 -1.26 -4.93 120.51 112.89 1k8o n ALA 82 Ca 0.13 0.32 -0.30 0.00 0.00 0.00 0.00 53.44 53.58 1k8o n ALA 82 Cb 0.50 -1.82 -0.13 0.00 0.00 0.00 0.00 19.45 18.00 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 4.05 2.53 0.56 0.00 1.02 -1.26 -5.02 118.68 120.56 1k8o s LEU 83 Ca 1.02 -0.48 0.33 0.00 0.02 0.00 0.00 54.13 55.02 1k8o s LEU 83 Cb -1.37 -1.47 1.62 0.00 0.02 0.00 0.00 46.19 45.00 1k8o s LEU 83 CO 0.68 0.24 2.10 0.07 0.02 0.00 0.00 176.35 179.46 1k8o h LYS 84 N 4.46 0.00 -0.91 1.70 2.10 -1.90 -2.53 116.57 119.48 1k8o h LYS 84 Ca -0.48 0.00 0.18 0.00 -2.00 0.00 0.00 60.65 58.35 1k8o h LYS 84 Cb 1.15 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 32.31 1k8o h LYS 84 CO 0.46 0.06 -0.23 -0.25 -2.00 0.00 0.00 179.45 177.50 1k8o n ASP 85 N -3.33 -0.33 -0.00 7.07 9.92 -1.26 -3.05 116.55 125.58 1k8o n ASP 85 Ca -0.01 1.57 -0.00 0.00 -0.53 0.00 0.00 54.79 55.82 1k8o n ASP 85 Cb 0.23 -0.48 -0.00 0.00 -0.64 0.00 0.00 41.12 40.24 1k8o n ASP 85 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1k8o n LEU 86 N -5.49 0.00 0.00 0.64 4.77 -1.23 -5.13 117.00 110.56 1k8o n LEU 86 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1k8o n LEU 86 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1k8o n LEU 86 CO -0.11 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.33