#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 0.82 3.58 -5.12 0.00 -1.26 -5.07 105.19 98.15 1k8o n GLY 2 Ca 0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 46.02 45.68 1k8o n GLY 2 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k8o s GLN 3 N -0.59 0.59 0.01 1.61 0.74 -1.26 -5.17 119.66 115.60 1k8o s GLN 3 Ca 0.00 1.27 -0.01 0.00 0.05 0.00 0.00 55.36 56.67 1k8o s GLN 3 Cb 0.00 0.45 -0.01 0.00 1.10 0.00 0.00 33.01 34.55 1k8o s GLN 3 CO 0.00 -0.18 0.00 0.14 -0.55 0.00 0.00 175.29 174.70 1k8o s VAL 4 N 2.24 0.07 -0.22 1.34 -7.23 -1.26 -4.69 120.40 110.64 1k8o s VAL 4 Ca -0.08 -0.57 -0.13 0.00 -1.81 0.00 0.00 61.98 59.40 1k8o s VAL 4 Cb -0.09 -0.20 -0.05 0.00 0.56 0.00 0.00 36.38 36.61 1k8o s VAL 4 CO -0.18 -0.31 0.26 0.68 -0.31 0.00 0.00 175.10 175.24 1k8o s VAL 5 N -0.93 5.29 0.00 1.32 -7.23 0.44 -4.77 120.40 114.52 1k8o s VAL 5 Ca -0.10 0.42 -0.04 0.00 -1.81 0.00 0.00 61.98 60.45 1k8o s VAL 5 Cb -0.06 -3.60 -0.04 0.00 0.56 0.00 0.00 36.38 33.23 1k8o s VAL 5 CO -0.00 0.32 0.21 -1.10 -0.31 0.00 0.00 175.10 174.21 1k8o s GLN 6 N 1.06 3.48 -0.16 4.82 -0.21 -1.26 -0.72 119.66 126.67 1k8o s GLN 6 Ca 0.13 -0.26 -0.11 0.00 0.02 0.00 0.00 55.36 55.15 1k8o s GLN 6 Cb -0.14 -3.08 -0.05 0.00 1.00 0.00 0.00 33.01 30.74 1k8o s GLN 6 CO 0.05 0.66 0.20 0.12 -2.12 0.00 0.00 175.29 174.21 1k8o s PHE 7 N -1.33 3.49 0.04 0.91 5.36 0.12 -4.94 117.98 121.63 1k8o s PHE 7 Ca 0.28 0.50 0.08 0.00 -0.96 0.00 0.00 56.93 56.83 1k8o s PHE 7 Cb -0.13 -2.18 -0.03 0.00 -0.34 0.00 0.00 43.02 40.34 1k8o s PHE 7 CO 0.18 0.39 -0.23 0.21 -1.46 0.00 0.00 175.22 174.32 1k8o s LYS 8 N -0.00 1.91 -0.10 10.12 2.20 -1.26 0.50 119.74 133.11 1k8o s LYS 8 Ca 0.13 -1.06 -0.29 0.00 -0.36 0.00 0.00 55.97 54.39 1k8o s LYS 8 Cb -0.12 -2.07 -0.06 0.00 -1.51 0.00 0.00 37.83 34.07 1k8o s LYS 8 CO 0.02 0.52 1.98 -1.17 -0.36 0.00 0.00 175.35 176.34 1k8o s LEU 9 N -1.32 4.00 0.48 5.43 1.98 -1.26 -4.96 118.68 123.02 1k8o s LEU 9 Ca 0.13 2.20 0.05 0.00 -2.89 0.00 0.00 54.13 53.62 1k8o s LEU 9 Cb -0.10 -3.52 -0.01 0.00 0.66 0.00 0.00 46.19 43.21 1k8o s LEU 9 CO 0.03 -1.39 0.19 -0.55 -1.89 0.00 0.00 176.35 172.74 1k8o s SER 10 N 5.66 4.37 0.00 3.68 0.15 -1.26 -4.19 113.70 122.11 1k8o s SER 10 Ca 0.89 -1.32 0.00 0.00 0.70 0.00 0.00 55.95 56.22 1k8o s SER 10 Cb -0.36 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.06 1k8o s SER 10 CO 0.37 -0.81 0.00 -0.67 1.20 0.00 0.00 173.24 173.33 1k8o n ASP 11 N -1.39 0.00 -4.76 5.45 2.03 -1.26 -5.01 116.55 111.61 1k8o n ASP 11 Ca -0.07 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.00 1k8o n ASP 11 Cb 0.65 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 41.00 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 -1.86 4.15 0.23 5.18 1.01 -1.26 -5.07 121.20 123.57 1k8o s ILE 12 Ca 0.00 -1.41 0.08 0.00 0.00 0.00 0.00 60.65 59.33 1k8o s ILE 12 Cb 0.00 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 1k8o s ILE 12 CO 0.00 -0.24 0.03 -0.83 0.00 0.00 0.00 174.94 173.89 1k8o s GLY 13 N -3.45 1.64 -1.07 6.18 0.00 -1.26 -4.83 107.32 104.54 1k8o s GLY 13 Ca 0.31 -1.52 -0.23 0.00 0.00 0.00 0.00 44.72 43.28 1k8o s GLY 13 CO 0.22 -1.56 1.85 1.85 0.00 0.00 0.00 173.10 175.47 1k8o s GLU 14 N -3.44 2.83 0.00 2.90 2.12 -1.26 -2.75 118.70 119.10 1k8o s GLU 14 Ca 0.30 -0.91 0.00 0.00 0.36 0.00 0.00 54.97 54.72 1k8o s GLU 14 Cb -0.08 -5.22 0.00 0.00 0.26 0.00 0.00 34.13 29.09 1k8o s GLU 14 CO 0.20 -3.32 0.00 0.41 -0.54 0.00 0.00 175.26 172.01 1k8o n GLY 15 N 6.31 0.44 0.00 -1.50 0.00 -1.26 -5.15 105.19 104.03 1k8o n GLY 15 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -1.69 -0.61 -5.35 -1.11 -5.08 119.36 105.52 1k8o n ILE 16 Ca 0.00 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.14 1k8o n ILE 16 Cb 0.00 -1.04 0.06 0.00 -1.74 0.00 0.00 39.64 36.92 1k8o n ILE 16 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1k8o s ARG 17 N -1.74 2.60 0.54 6.28 0.52 -1.26 -4.91 118.95 120.98 1k8o s ARG 17 Ca 0.00 1.58 0.06 0.00 -0.52 0.00 0.00 55.73 56.85 1k8o s ARG 17 Cb 0.00 -1.91 0.06 0.00 0.52 0.00 0.00 34.95 33.62 1k8o s ARG 17 CO 0.00 -1.44 0.75 -1.21 0.02 0.00 0.00 175.30 173.42 1k8o s GLU 18 N -3.91 2.43 0.11 3.54 8.01 -1.26 -4.76 118.70 122.86 1k8o s GLU 18 Ca 0.71 -1.26 0.10 0.00 0.01 0.00 0.00 54.97 54.52 1k8o s GLU 18 Cb -0.25 -2.61 -0.04 0.00 -4.31 0.00 0.00 34.13 26.93 1k8o s GLU 18 CO 0.41 -0.73 -0.24 0.54 0.01 0.00 0.00 175.26 175.25 1k8o s VAL 19 N -2.65 2.02 0.23 2.63 0.11 -1.14 -4.92 120.40 116.69 1k8o s VAL 19 Ca 0.59 -1.62 0.02 0.00 -2.93 0.00 0.00 61.98 58.05 1k8o s VAL 19 Cb -0.08 -1.80 -0.03 0.00 -1.53 0.00 0.00 36.38 32.94 1k8o s VAL 19 CO 0.38 0.07 0.39 -0.89 -3.33 0.00 0.00 175.10 171.72 1k8o s THR 20 N -1.06 5.23 0.06 5.04 2.01 -1.26 0.68 115.64 126.34 1k8o s THR 20 Ca 0.11 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.14 1k8o s THR 20 Cb -0.10 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 1k8o s THR 20 CO 0.05 -0.29 0.98 -0.69 -0.69 0.00 0.00 174.62 173.98 1k8o s VAL 21 N -1.97 4.64 -0.07 3.82 1.01 -1.07 -3.77 120.40 122.99 1k8o s VAL 21 Ca 0.36 2.03 0.15 0.00 0.00 0.00 0.00 61.98 64.52 1k8o s VAL 21 Cb -0.10 -4.30 -0.22 0.00 0.00 0.00 0.00 36.38 31.76 1k8o s VAL 21 CO 0.30 0.23 0.24 1.17 0.00 0.00 0.00 175.10 177.04 1k8o n LYS 22 N 3.34 0.89 -3.81 2.72 3.00 0.32 -4.12 118.16 120.50 1k8o n LYS 22 Ca 0.04 -0.09 -0.23 0.00 -0.00 0.00 0.00 58.31 58.03 1k8o n LYS 22 Cb 0.50 -1.38 -0.17 0.00 0.00 0.00 0.00 35.03 33.98 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 -2.83 0.64 -0.16 1.64 2.56 -0.41 -4.96 118.70 115.19 1k8o s GLU 23 Ca -0.06 0.08 -0.00 0.00 0.00 0.00 0.00 54.97 54.98 1k8o s GLU 23 Cb 0.08 -0.96 0.04 0.00 2.00 0.00 0.00 34.13 35.28 1k8o s GLU 23 CO 0.64 -0.28 -0.06 -1.58 -0.56 0.00 0.00 175.26 173.42 1k8o s TRP 24 N 1.85 1.69 -0.27 5.30 0.23 -1.26 -0.92 118.94 125.56 1k8o s TRP 24 Ca 0.03 -1.04 0.18 0.00 -2.03 0.00 0.00 56.10 53.25 1k8o s TRP 24 Cb -0.12 -1.31 0.50 0.00 0.03 0.00 0.00 33.47 32.56 1k8o s TRP 24 CO -0.05 -0.60 1.13 0.66 0.96 0.00 0.00 176.95 179.05 1k8o n TYR 25 N 4.88 1.68 -3.53 -1.98 4.01 -1.08 -5.07 117.16 116.07 1k8o n TYR 25 Ca -0.12 -2.17 -0.14 0.00 -0.16 0.00 0.00 57.90 55.31 1k8o n TYR 25 Cb 0.48 -0.26 -0.04 0.00 -0.31 0.00 0.00 39.34 39.21 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 -4.03 0.02 0.13 -0.72 -7.23 -1.26 -4.80 120.40 102.51 1k8o s VAL 26 Ca 0.34 -0.17 -0.01 0.00 -1.81 0.00 0.00 61.98 60.32 1k8o s VAL 26 Cb 0.35 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 36.24 1k8o s VAL 26 CO -0.02 -0.10 0.05 -0.54 -0.31 0.00 0.00 175.10 174.19 1k8o s LYS 27 N -2.75 0.92 0.22 4.82 -0.14 -1.26 -5.06 119.74 116.48 1k8o s LYS 27 Ca -0.04 -1.43 -0.32 0.00 -1.36 0.00 0.00 55.97 52.82 1k8o s LYS 27 Cb -0.00 0.24 -0.14 0.00 -1.68 0.00 0.00 37.83 36.25 1k8o s LYS 27 CO -0.04 -0.26 1.45 0.39 -0.76 0.00 0.00 175.35 176.14 1k8o n GLU 28 N -0.09 2.07 -0.90 1.68 1.02 -1.26 -0.36 120.64 122.80 1k8o n GLU 28 Ca -0.06 0.74 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 1k8o n GLU 28 Cb 0.64 -2.43 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 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 2.47 0.57 3.92 0.62 0.00 0.46 -4.88 105.19 108.35 1k8o n GLY 29 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.45 6.41 0.05 1.61 2.15 0.63 -4.78 116.67 120.28 1k8o s ASP 30 Ca 0.00 0.50 -0.01 0.00 0.43 0.00 0.00 52.55 53.47 1k8o s ASP 30 Cb 0.00 -2.05 -0.04 0.00 -0.30 0.00 0.00 42.92 40.53 1k8o s ASP 30 CO 0.00 -0.07 0.21 -0.89 -0.17 0.00 0.00 175.17 174.25 1k8o s THR 31 N -1.90 5.39 0.31 1.71 2.01 -1.26 0.16 115.64 122.05 1k8o s THR 31 Ca 0.40 -0.30 0.07 0.00 0.31 0.00 0.00 61.69 62.18 1k8o s THR 31 Cb -0.11 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 1k8o s THR 31 CO 0.29 0.18 0.24 0.68 -0.69 0.00 0.00 174.62 175.32 1k8o s VAL 32 N -1.47 3.75 0.20 3.82 -7.23 0.45 -4.89 120.40 115.02 1k8o s VAL 32 Ca 0.33 -1.42 0.01 0.00 -1.81 0.00 0.00 61.98 59.09 1k8o s VAL 32 Cb -0.13 -3.22 -0.05 0.00 0.56 0.00 0.00 36.38 33.55 1k8o s VAL 32 CO 0.25 -0.23 0.05 -0.94 -0.31 0.00 0.00 175.10 173.93 1k8o s SER 33 N -3.93 1.00 0.31 4.85 1.04 -1.18 -1.94 113.70 113.85 1k8o s SER 33 Ca 0.38 -1.27 0.04 0.00 0.48 0.00 0.00 55.95 55.58 1k8o s SER 33 Cb -0.06 0.18 0.66 0.00 0.10 0.00 0.00 66.02 66.90 1k8o s SER 33 CO 0.26 -0.67 1.85 -0.61 0.98 0.00 0.00 173.24 175.04 1k8o h GLN 34 N 2.60 0.85 0.00 4.02 4.15 -1.87 -1.09 115.11 123.78 1k8o h GLN 34 Ca -0.37 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 58.98 1k8o h GLN 34 Cb 1.22 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 28.72 1k8o h GLN 34 CO 0.61 0.56 -1.09 0.34 -1.93 0.00 0.00 178.83 177.32 1k8o n PHE 35 N -4.61 0.92 -3.08 3.99 7.35 -1.26 -3.95 117.46 116.83 1k8o n PHE 35 Ca 0.19 0.27 -0.45 0.00 -0.76 0.00 0.00 57.45 56.70 1k8o n PHE 35 Cb 0.40 -0.95 -0.03 0.00 0.35 0.00 0.00 39.48 39.25 1k8o n PHE 35 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1k8o s ASP 36 N -5.35 6.43 0.81 -2.13 2.15 -0.41 -5.01 116.67 113.16 1k8o s ASP 36 Ca -0.01 -1.83 -0.10 0.00 0.43 0.00 0.00 52.55 51.03 1k8o s ASP 36 Cb 0.10 -2.32 0.08 0.00 -0.30 0.00 0.00 42.92 40.48 1k8o s ASP 36 CO 0.80 -1.02 1.11 -0.44 -0.17 0.00 0.00 175.17 175.45 1k8o s SER 37 N 3.35 4.03 0.00 -0.34 0.01 -1.26 -3.10 113.70 116.39 1k8o s SER 37 Ca 0.20 1.93 0.00 0.00 1.31 0.00 0.00 55.95 59.39 1k8o s SER 37 Cb -0.15 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1k8o s SER 37 CO -0.01 -2.36 0.00 -0.38 0.41 0.00 0.00 173.24 170.90 1k8o n ILE 38 N -3.74 0.00 -3.98 1.44 5.41 -1.02 -4.23 119.36 113.24 1k8o n ILE 38 Ca 0.10 0.32 -0.09 0.00 1.00 0.00 0.00 62.75 64.08 1k8o n ILE 38 Cb 0.53 -1.03 -0.11 0.00 -0.71 0.00 0.00 39.64 38.32 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 -1.69 0.48 0.06 0.00 2.02 -0.10 -1.92 118.70 117.55 1k8o s GLU 40 Ca -0.14 0.05 0.05 0.00 0.02 0.00 0.00 54.97 54.95 1k8o s GLU 40 Cb -0.08 -0.66 -0.04 0.00 0.10 0.00 0.00 34.13 33.45 1k8o s GLU 40 CO -0.02 -0.16 -0.07 0.14 0.02 0.00 0.00 175.26 175.17 1k8o s VAL 41 N 1.22 3.59 -0.06 2.63 -7.23 -0.14 0.12 120.40 120.53 1k8o s VAL 41 Ca -0.07 -1.01 -0.00 0.00 -1.81 0.00 0.00 61.98 59.09 1k8o s VAL 41 Cb -0.13 -2.64 0.02 0.00 0.56 0.00 0.00 36.38 34.19 1k8o s VAL 41 CO -0.02 0.23 -0.03 -1.10 -0.31 0.00 0.00 175.10 173.88 1k8o s GLN 42 N -1.89 0.76 0.18 4.82 -0.21 -1.25 0.64 119.66 122.71 1k8o s GLN 42 Ca 0.20 -0.02 0.10 0.00 0.02 0.00 0.00 55.36 55.66 1k8o s GLN 42 Cb -0.11 -0.92 -0.04 0.00 1.00 0.00 0.00 33.01 32.94 1k8o s GLN 42 CO 0.12 -0.18 -0.21 -1.12 -2.12 0.00 0.00 175.29 171.78 1k8o s SER 43 N 1.38 3.00 0.42 5.90 0.01 -0.79 -4.73 113.70 118.90 1k8o s SER 43 Ca -0.04 -0.86 0.25 0.00 1.31 0.00 0.00 55.95 56.61 1k8o s SER 43 Cb -0.13 -0.20 1.29 0.00 0.21 0.00 0.00 66.02 67.19 1k8o s SER 43 CO -0.03 0.03 1.69 0.44 0.41 0.00 0.00 173.24 175.79 1k8o h ASP 44 N 3.22 0.32 0.16 2.44 3.32 -2.01 -2.01 116.42 121.86 1k8o h ASP 44 Ca -0.44 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 1k8o h ASP 44 Cb 1.21 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1k8o h ASP 44 CO 0.50 -0.06 -0.08 0.50 -1.72 0.00 0.00 179.24 178.38 1k8o h LYS 45 N 0.21 -0.20 -3.58 3.56 3.64 -2.01 -3.48 116.57 114.71 1k8o h LYS 45 Ca 0.71 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 60.02 1k8o h LYS 45 Cb 2.11 0.05 -0.15 0.00 -0.41 0.00 0.00 32.23 33.82 1k8o h LYS 45 CO -0.35 -0.14 -0.30 0.00 -2.27 0.00 0.00 179.45 176.40 1k8o s ALA 46 N -3.42 -0.47 -0.12 5.00 0.00 -0.76 -5.16 121.76 116.83 1k8o s ALA 46 Ca -0.03 -0.32 -0.07 0.00 0.00 0.00 0.00 51.96 51.53 1k8o s ALA 46 Cb 0.00 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 1k8o s ALA 46 CO 0.09 -0.48 0.15 -1.54 0.00 0.00 0.00 175.76 173.98 1k8o s SER 47 N -2.54 6.39 -0.02 0.00 1.04 -1.26 -1.88 113.70 115.43 1k8o s SER 47 Ca 0.01 0.47 0.06 0.00 0.48 0.00 0.00 55.95 56.97 1k8o s SER 47 Cb 0.02 -2.08 -0.01 0.00 0.10 0.00 0.00 66.02 64.05 1k8o s SER 47 CO -0.08 0.39 -0.21 -0.69 0.98 0.00 0.00 173.24 173.63 1k8o s VAL 48 N -0.94 1.67 -0.08 5.02 1.01 0.21 -4.98 120.40 122.32 1k8o s VAL 48 Ca 0.15 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1k8o s VAL 48 Cb -0.12 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.87 1k8o s VAL 48 CO 0.04 0.47 -0.12 0.42 0.00 0.00 0.00 175.10 175.92 1k8o s THR 49 N -0.38 1.15 -0.46 3.92 -4.23 -1.26 -0.97 115.64 113.40 1k8o s THR 49 Ca 0.05 -0.46 -0.15 0.00 -1.18 0.00 0.00 61.69 59.95 1k8o s THR 49 Cb -0.09 -1.06 0.06 0.00 1.34 0.00 0.00 72.50 72.75 1k8o s THR 49 CO 0.00 0.36 0.38 -0.63 -0.54 0.00 0.00 174.62 174.19 1k8o s ILE 50 N 0.84 5.23 0.58 2.99 -1.09 -0.81 -5.01 121.20 123.94 1k8o s ILE 50 Ca -0.11 -1.00 -0.03 0.00 -2.23 0.00 0.00 60.65 57.28 1k8o s ILE 50 Cb -0.15 -4.09 0.03 0.00 -1.58 0.00 0.00 42.46 36.67 1k8o s ILE 50 CO 0.02 -0.53 0.85 -0.89 -1.23 0.00 0.00 174.94 173.16 1k8o s THR 51 N 1.65 3.07 -0.22 2.92 2.01 -1.26 -2.44 115.64 121.36 1k8o s THR 51 Ca 0.04 -0.35 -0.16 0.00 0.31 0.00 0.00 61.69 61.53 1k8o s THR 51 Cb -0.23 -3.21 -0.11 0.00 0.01 0.00 0.00 72.50 68.96 1k8o s THR 51 CO 0.07 -0.19 -0.20 -1.20 -0.69 0.00 0.00 174.62 172.41 1k8o n SER 52 N -2.52 1.91 0.00 3.53 7.64 -1.26 -4.77 113.62 118.15 1k8o n SER 52 Ca 0.06 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.33 1k8o n SER 52 Cb 0.59 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 1k8o n SER 52 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1k8o n ARG 53 N -4.39 -0.04 -3.74 1.43 -4.01 -1.25 -4.90 116.66 99.76 1k8o n ARG 53 Ca -0.34 0.01 0.02 0.00 -1.04 0.00 0.00 57.85 56.50 1k8o n ARG 53 Cb 0.68 -2.92 0.00 0.00 -3.04 0.00 0.00 32.46 27.18 1k8o n ARG 53 CO 0.00 0.00 0.00 -0.47 -3.04 0.00 0.00 177.63 174.12 1k8o s TYR 54 N -3.28 -0.01 -0.25 2.89 6.14 -1.26 -4.83 117.35 116.75 1k8o s TYR 54 Ca 0.00 -0.10 -0.14 0.00 0.64 0.00 0.00 57.07 57.48 1k8o s TYR 54 Cb 0.00 0.55 -0.04 0.00 0.42 0.00 0.00 41.96 42.89 1k8o s TYR 54 CO 0.00 -0.28 0.32 -0.51 0.64 0.00 0.00 175.55 175.73 1k8o s ASP 55 N -3.27 6.24 0.22 4.32 1.01 -1.26 -3.17 116.67 120.76 1k8o s ASP 55 Ca 0.19 0.27 0.03 0.00 0.71 0.00 0.00 52.55 53.76 1k8o s ASP 55 Cb 0.03 -2.19 -0.05 0.00 1.01 0.00 0.00 42.92 41.72 1k8o s ASP 55 CO -0.03 -0.11 -0.00 -0.83 0.21 0.00 0.00 175.17 174.41 1k8o s GLY 56 N 1.45 1.47 -0.23 0.21 0.00 -0.82 -4.80 107.32 104.60 1k8o s GLY 56 Ca 0.14 -1.72 -0.07 0.00 0.00 0.00 0.00 44.72 43.06 1k8o s GLY 56 CO 0.09 -1.63 0.07 0.14 0.00 0.00 0.00 173.10 171.77 1k8o s VAL 57 N -3.48 4.48 -0.21 1.40 1.01 -0.73 0.17 120.40 123.03 1k8o s VAL 57 Ca 0.27 -0.12 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 1k8o s VAL 57 Cb 0.06 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 1k8o s VAL 57 CO 0.08 0.37 0.19 -0.63 0.00 0.00 0.00 175.10 175.11 1k8o s ILE 58 N 1.21 5.35 -0.23 2.22 1.01 0.42 0.15 121.20 131.33 1k8o s ILE 58 Ca 0.05 0.28 0.02 0.00 0.00 0.00 0.00 60.65 61.00 1k8o s ILE 58 Cb -0.14 -3.53 -0.19 0.00 0.01 0.00 0.00 42.46 38.61 1k8o s ILE 58 CO 0.03 0.37 -0.12 1.17 0.00 0.00 0.00 174.94 176.39 1k8o n LYS 59 N 3.97 0.67 -3.80 2.79 4.81 -1.05 0.17 118.16 125.72 1k8o n LYS 59 Ca -0.14 0.16 -0.13 0.00 -0.87 0.00 0.00 58.31 57.33 1k8o n LYS 59 Cb 0.52 -1.55 -0.09 0.00 0.02 0.00 0.00 35.03 33.93 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 -2.52 0.59 0.01 1.64 0.00 -1.26 -1.23 119.74 116.97 1k8o s LYS 60 Ca -0.31 -0.24 0.02 0.00 0.00 0.00 0.00 55.97 55.44 1k8o s LYS 60 Cb 0.08 0.26 -0.01 0.00 0.00 0.00 0.00 37.83 38.16 1k8o s LYS 60 CO 0.64 -0.16 -0.06 -0.51 0.00 0.00 0.00 175.35 175.26 1k8o s LEU 61 N -1.29 2.08 -0.00 2.77 1.43 -1.26 -3.74 118.68 118.67 1k8o s LEU 61 Ca -0.13 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1k8o s LEU 61 Cb -0.06 -0.25 -0.00 0.00 0.03 0.00 0.00 46.19 45.91 1k8o s LEU 61 CO 0.03 -0.01 -0.00 0.00 0.23 0.00 0.00 176.35 176.60 1k8o n TYR 62 N 2.50 0.00 -3.64 0.29 9.36 -1.26 -4.95 117.16 119.47 1k8o n TYR 62 Ca -0.16 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.69 1k8o n TYR 62 Cb 0.57 -0.01 -0.07 0.00 -0.63 0.00 0.00 39.34 39.21 1k8o n TYR 62 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 1k8o s TYR 63 N -2.00 3.56 0.23 2.98 1.51 -1.26 -5.01 117.35 117.36 1k8o s TYR 63 Ca -0.00 0.65 0.01 0.00 -1.01 0.00 0.00 57.07 56.72 1k8o s TYR 63 Cb 0.00 -2.20 0.01 0.00 -0.11 0.00 0.00 41.96 39.66 1k8o s TYR 63 CO 0.00 0.48 0.12 0.09 -1.11 0.00 0.00 175.55 175.13 1k8o n ASN 64 N 2.70 2.04 0.26 2.29 4.13 -1.26 -4.93 115.26 120.49 1k8o n ASN 64 Ca -0.15 -1.87 0.18 0.00 1.68 0.00 0.00 54.58 54.42 1k8o n ASN 64 Cb 0.53 0.04 0.88 0.00 -1.54 0.00 0.00 39.78 39.68 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 -1.96 -1.70 115.31 118.44 1k8o h LEU 65 Ca -0.16 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.61 1k8o h LEU 65 Cb 0.55 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1k8o h LEU 65 CO 0.26 0.00 -2.13 0.47 0.09 0.00 0.00 178.44 177.13 1k8o n ASP 66 N -3.28 0.42 -4.83 -0.43 9.92 -1.26 -3.97 116.55 113.12 1k8o n ASP 66 Ca 0.00 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 53.94 1k8o n ASP 66 Cb 0.36 1.36 -0.04 0.00 -0.64 0.00 0.00 41.12 42.16 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 -4.88 6.60 -0.11 -2.24 1.01 -0.64 -4.85 116.67 111.55 1k8o s ASP 67 Ca -0.08 1.65 -0.04 0.00 0.71 0.00 0.00 52.55 54.79 1k8o s ASP 67 Cb 0.09 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 1k8o s ASP 67 CO 0.79 -0.60 0.03 -0.63 0.21 0.00 0.00 175.17 174.97 1k8o s ILE 68 N -2.45 4.58 0.05 0.77 -1.09 -1.26 -2.61 121.20 119.18 1k8o s ILE 68 Ca 0.61 -0.14 -0.01 0.00 -2.23 0.00 0.00 60.65 58.88 1k8o s ILE 68 Cb -0.11 -2.97 -0.04 0.00 -1.58 0.00 0.00 42.46 37.76 1k8o s ILE 68 CO 0.26 0.58 0.22 0.00 -1.23 0.00 0.00 174.94 174.77 1k8o s ALA 69 N -0.61 3.97 0.08 9.38 0.00 0.21 -4.88 121.76 129.92 1k8o s ALA 69 Ca 0.11 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.35 1k8o s ALA 69 Cb -0.12 -1.87 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 1k8o s ALA 69 CO 0.02 0.79 -0.13 0.71 0.00 0.00 0.00 175.76 177.15 1k8o s TYR 70 N -1.46 2.67 0.18 0.00 1.51 -1.26 -2.88 117.35 116.11 1k8o s TYR 70 Ca 0.33 -0.19 -0.27 0.00 -1.01 0.00 0.00 57.07 55.93 1k8o s TYR 70 Cb -0.13 -1.44 -0.08 0.00 -0.11 0.00 0.00 41.96 40.21 1k8o s TYR 70 CO 0.25 0.38 0.83 0.08 -1.11 0.00 0.00 175.55 175.98 1k8o s VAL 71 N -1.12 4.30 0.00 0.71 1.01 -1.26 -4.11 120.40 119.93 1k8o s VAL 71 Ca 0.19 1.83 0.00 0.00 0.00 0.00 0.00 61.98 64.00 1k8o s VAL 71 Cb -0.11 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1k8o s VAL 71 CO 0.11 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.32 1k8o n GLY 72 N 1.62 2.07 3.01 4.51 0.00 -1.26 -4.84 105.19 110.30 1k8o n GLY 72 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 1k8o n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1k8o s LYS 73 N 0.00 0.17 1.05 1.61 2.20 -1.26 -5.14 119.74 118.37 1k8o s LYS 73 Ca 0.00 0.46 -0.14 0.00 -0.36 0.00 0.00 55.97 55.93 1k8o s LYS 73 Cb 0.00 -0.13 0.14 0.00 -1.51 0.00 0.00 37.83 36.34 1k8o s LYS 73 CO 0.00 -0.15 0.60 -2.30 -0.36 0.00 0.00 175.35 173.14 1k8o n PRO 74 N 4.14 -1.21 0.00 4.03 -0.02 -1.26 -4.45 135.00 136.23 1k8o n PRO 74 Ca -0.25 -0.32 0.00 0.00 -2.02 0.00 0.00 63.50 60.91 1k8o n PRO 74 Cb 0.53 -2.00 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 -2.93 1.82 -4.04 2.45 -0.00 0.18 -4.92 117.00 109.56 1k8o n LEU 75 Ca 0.05 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 55.90 1k8o n LEU 75 Cb 0.56 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.84 1k8o n LEU 75 CO 0.52 0.30 -0.42 0.54 -0.00 0.00 0.00 177.39 178.33 1k8o s VAL 76 N -1.82 0.65 -0.13 1.47 0.11 -1.12 -4.11 120.40 115.45 1k8o s VAL 76 Ca 0.00 -0.68 -0.03 0.00 -2.93 0.00 0.00 61.98 58.35 1k8o s VAL 76 Cb 0.00 -0.61 -0.03 0.00 -1.53 0.00 0.00 36.38 34.21 1k8o s VAL 76 CO 0.00 -0.04 -0.03 -1.81 -3.33 0.00 0.00 175.10 169.89 1k8o s ASP 77 N -0.79 4.88 0.02 3.54 1.11 -1.25 0.14 116.67 124.32 1k8o s ASP 77 Ca -0.01 -0.06 0.00 0.00 0.18 0.00 0.00 52.55 52.66 1k8o s ASP 77 Cb -0.06 -1.64 -0.02 0.00 1.07 0.00 0.00 42.92 42.27 1k8o s ASP 77 CO 0.00 0.23 -0.03 -0.63 1.18 0.00 0.00 175.17 175.92 1k8o s ILE 78 N -0.03 0.15 -0.37 0.77 1.09 0.10 -2.53 121.20 120.38 1k8o s ILE 78 Ca 0.02 -0.96 -0.15 0.00 -1.10 0.00 0.00 60.65 58.45 1k8o s ILE 78 Cb -0.13 -0.34 -0.00 0.00 -1.06 0.00 0.00 42.46 40.92 1k8o s ILE 78 CO 0.02 -0.51 0.31 -1.61 -0.10 0.00 0.00 174.94 173.05 1k8o s GLU 79 N -1.58 3.30 0.05 2.79 2.02 0.12 0.17 118.70 125.57 1k8o s GLU 79 Ca -0.14 -0.72 -0.05 0.00 0.02 0.00 0.00 54.97 54.08 1k8o s GLU 79 Cb -0.09 -3.88 -0.02 0.00 0.10 0.00 0.00 34.13 30.24 1k8o s GLU 79 CO -0.01 -0.61 0.07 0.95 0.02 0.00 0.00 175.26 175.68 1k8o s THR 80 N 1.83 0.16 0.60 3.63 -4.23 -1.26 -1.78 115.64 114.60 1k8o s THR 80 Ca 0.08 -1.30 -0.19 0.00 -1.18 0.00 0.00 61.69 59.10 1k8o s THR 80 Cb -0.18 -1.12 -0.04 0.00 1.34 0.00 0.00 72.50 72.51 1k8o s THR 80 CO 0.11 -0.72 1.10 -0.62 -0.54 0.00 0.00 174.62 173.95 1k8o n GLU 81 N 0.47 1.05 -1.34 3.99 1.02 -1.26 -4.72 120.64 119.85 1k8o n GLU 81 Ca -0.17 0.40 -0.60 0.00 -0.02 0.00 0.00 57.16 56.78 1k8o n GLU 81 Cb 0.60 -2.31 -0.11 0.00 -0.02 0.00 0.00 31.44 29.60 1k8o n GLU 81 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k8o n ALA 82 N -1.68 -0.26 -2.38 0.62 0.00 -1.26 -4.93 120.51 110.62 1k8o n ALA 82 Ca 0.14 0.27 -0.30 0.00 0.00 0.00 0.00 53.44 53.55 1k8o n ALA 82 Cb 0.47 -1.93 -0.14 0.00 0.00 0.00 0.00 19.45 17.85 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 4.82 2.31 0.29 0.00 1.02 -1.26 -5.03 118.68 120.84 1k8o s LEU 83 Ca 1.10 -0.56 0.16 0.00 0.02 0.00 0.00 54.13 54.85 1k8o s LEU 83 Cb -1.43 -1.35 0.09 0.00 0.02 0.00 0.00 46.19 43.52 1k8o s LEU 83 CO 0.68 0.25 1.45 0.50 0.02 0.00 0.00 176.35 179.25 1k8o h LYS 84 N 4.63 0.00 -0.96 1.70 3.64 -1.92 -2.07 116.57 121.59 1k8o h LYS 84 Ca -0.47 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.11 1k8o h LYS 84 Cb 1.15 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.86 1k8o h LYS 84 CO 0.44 0.45 0.55 -0.44 -2.27 0.00 0.00 179.45 178.18 1k8o h ASP 85 N 0.00 0.66 0.00 4.20 5.19 -2.00 -2.68 116.42 121.79 1k8o h ASP 85 Ca -0.01 0.11 -0.08 0.00 -0.62 0.00 0.00 57.03 56.43 1k8o h ASP 85 Cb 1.35 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.85 1k8o h ASP 85 CO 0.06 0.19 -1.71 -0.11 -3.12 0.00 0.00 179.24 174.55 1k8o n LEU 86 N -4.85 0.00 0.00 1.55 -0.00 -1.25 -5.16 117.00 107.30 1k8o n LEU 86 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.24 1k8o n LEU 86 Cb 0.60 0.11 0.00 0.00 -0.00 0.00 0.00 43.42 44.13 1k8o n LEU 86 CO 0.19 0.11 0.00 -0.62 -0.00 0.00 0.00 177.39 177.08