#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 0.91 3.79 3.03 0.00 -1.26 -5.10 105.19 106.57 1k8o n GLY 2 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.36 4.38 0.01 1.61 1.11 -1.26 -5.08 119.66 120.08 1k8o s GLN 3 Ca 0.00 0.96 -0.01 0.00 0.01 0.00 0.00 55.36 56.32 1k8o s GLN 3 Cb 0.00 -3.21 -0.01 0.00 -1.01 0.00 0.00 33.01 28.78 1k8o s GLN 3 CO 0.00 0.58 -0.00 0.14 0.01 0.00 0.00 175.29 176.02 1k8o s VAL 4 N -1.18 0.09 -0.13 1.09 -7.23 -1.26 -4.74 120.40 107.04 1k8o s VAL 4 Ca 0.34 -0.71 -0.13 0.00 -1.81 0.00 0.00 61.98 59.67 1k8o s VAL 4 Cb -0.21 -0.23 -0.05 0.00 0.56 0.00 0.00 36.38 36.45 1k8o s VAL 4 CO 0.23 -0.39 0.28 0.68 -0.31 0.00 0.00 175.10 175.58 1k8o s VAL 5 N -1.17 5.30 -0.13 1.32 -7.23 0.45 -4.77 120.40 114.18 1k8o s VAL 5 Ca -0.13 0.52 -0.08 0.00 -1.81 0.00 0.00 61.98 60.47 1k8o s VAL 5 Cb -0.08 -3.60 -0.04 0.00 0.56 0.00 0.00 36.38 33.22 1k8o s VAL 5 CO -0.01 0.45 0.17 -1.10 -0.31 0.00 0.00 175.10 174.30 1k8o s GLN 6 N 0.02 3.63 -0.18 4.82 1.11 -1.26 0.29 119.66 128.10 1k8o s GLN 6 Ca 0.17 -0.09 -0.09 0.00 0.01 0.00 0.00 55.36 55.35 1k8o s GLN 6 Cb -0.13 -3.24 -0.05 0.00 -1.01 0.00 0.00 33.01 28.58 1k8o s GLN 6 CO 0.05 0.67 0.11 0.12 0.01 0.00 0.00 175.29 176.26 1k8o s PHE 7 N -0.75 3.40 0.05 0.91 5.36 0.67 -4.96 117.98 122.66 1k8o s PHE 7 Ca 0.15 0.30 0.08 0.00 -0.96 0.00 0.00 56.93 56.50 1k8o s PHE 7 Cb -0.12 -2.10 -0.03 0.00 -0.34 0.00 0.00 43.02 40.43 1k8o s PHE 7 CO 0.04 0.33 -0.24 -1.59 -1.46 0.00 0.00 175.22 172.30 1k8o s LYS 8 N 0.14 1.61 -0.27 10.12 0.00 -1.26 -0.46 119.74 129.62 1k8o s LYS 8 Ca 0.08 -1.04 -0.36 0.00 0.00 0.00 0.00 55.97 54.65 1k8o s LYS 8 Cb -0.11 -1.76 -0.12 0.00 0.00 0.00 0.00 37.83 35.83 1k8o s LYS 8 CO -0.01 0.45 2.01 -0.11 0.00 0.00 0.00 175.35 177.69 1k8o n LEU 9 N 1.80 2.51 -3.64 2.77 -0.00 -1.04 -4.80 117.00 114.60 1k8o n LEU 9 Ca -0.17 0.71 -0.21 0.00 -0.00 0.00 0.00 56.01 56.34 1k8o n LEU 9 Cb 0.53 -1.26 -0.17 0.00 -0.00 0.00 0.00 43.42 42.52 1k8o n LEU 9 CO 0.23 -0.50 -0.32 -0.44 -0.00 0.00 0.00 177.39 176.37 1k8o s SER 10 N 5.62 1.48 0.00 1.96 0.01 -1.26 -1.55 113.70 119.96 1k8o s SER 10 Ca 1.03 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 58.17 1k8o s SER 10 Cb -0.87 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 65.27 1k8o s SER 10 CO 0.54 -0.29 0.00 -0.67 0.41 0.00 0.00 173.24 173.23 1k8o n ASP 11 N 5.30 0.00 -4.93 2.44 2.03 -1.26 -5.09 116.55 115.04 1k8o n ASP 11 Ca -0.05 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.05 1k8o n ASP 11 Cb 0.50 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.89 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 2.34 0.80 5.18 -0.00 -1.26 -5.12 121.20 123.14 1k8o s ILE 12 Ca 0.00 -1.28 -0.11 0.00 -0.00 0.00 0.00 60.65 59.26 1k8o s ILE 12 Cb 0.00 -2.62 0.07 0.00 -0.00 0.00 0.00 42.46 39.91 1k8o s ILE 12 CO 0.00 0.00 1.10 -0.83 -0.00 0.00 0.00 174.94 175.21 1k8o s GLY 13 N -4.30 1.63 -1.28 6.27 0.00 -1.26 -4.92 107.32 103.46 1k8o s GLY 13 Ca 0.48 -0.19 -0.15 0.00 0.00 0.00 0.00 44.72 44.86 1k8o s GLY 13 CO 0.29 0.24 1.67 1.18 0.00 0.00 0.00 173.10 176.48 1k8o n GLU 14 N -3.43 3.28 0.00 2.90 1.02 -1.26 -3.66 120.64 119.49 1k8o n GLU 14 Ca 0.07 -3.48 0.00 0.00 -0.02 0.00 0.00 57.16 53.73 1k8o n GLU 14 Cb 0.56 -3.23 0.00 0.00 -0.02 0.00 0.00 31.44 28.75 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 4.48 2.28 0.00 0.62 0.00 -1.26 -5.13 105.19 106.18 1k8o n GLY 15 Ca 0.43 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.52 -0.61 -5.35 -1.24 -4.94 119.36 105.69 1k8o n ILE 16 Ca 0.00 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.12 1k8o n ILE 16 Cb 0.00 -0.51 0.09 0.00 -1.74 0.00 0.00 39.64 37.48 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 -2.60 2.23 0.52 6.28 1.81 -1.26 -4.95 118.95 120.97 1k8o s ARG 17 Ca 0.00 1.94 0.07 0.00 -1.72 0.00 0.00 55.73 56.02 1k8o s ARG 17 Cb 0.00 -1.82 0.05 0.00 -0.45 0.00 0.00 34.95 32.73 1k8o s ARG 17 CO 0.00 -1.81 0.72 -1.21 -0.68 0.00 0.00 175.30 172.32 1k8o s GLU 18 N -3.66 2.49 0.08 3.54 8.01 -1.26 -4.81 118.70 123.07 1k8o s GLU 18 Ca 0.79 -1.34 0.08 0.00 0.01 0.00 0.00 54.97 54.50 1k8o s GLU 18 Cb -0.34 -2.65 -0.03 0.00 -4.31 0.00 0.00 34.13 26.80 1k8o s GLU 18 CO 0.43 -0.66 -0.20 0.54 0.01 0.00 0.00 175.26 175.39 1k8o s VAL 19 N -2.59 1.64 0.19 2.63 0.11 -1.13 -4.94 120.40 116.31 1k8o s VAL 19 Ca 0.59 -1.37 0.03 0.00 -2.93 0.00 0.00 61.98 58.30 1k8o s VAL 19 Cb -0.08 -1.47 -0.03 0.00 -1.53 0.00 0.00 36.38 33.27 1k8o s VAL 19 CO 0.37 0.04 0.32 -0.89 -3.33 0.00 0.00 175.10 171.61 1k8o s THR 20 N -1.01 5.29 0.03 5.04 2.01 -1.26 0.50 115.64 126.24 1k8o s THR 20 Ca 0.06 -0.79 -0.30 0.00 0.31 0.00 0.00 61.69 60.97 1k8o s THR 20 Cb -0.09 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1k8o s THR 20 CO 0.03 -0.19 0.99 -0.69 -0.69 0.00 0.00 174.62 174.07 1k8o s VAL 21 N -1.84 4.72 -0.17 3.82 1.01 -1.08 -3.88 120.40 122.98 1k8o s VAL 21 Ca 0.35 2.01 0.18 0.00 0.00 0.00 0.00 61.98 64.52 1k8o s VAL 21 Cb -0.10 -4.29 -0.26 0.00 0.00 0.00 0.00 36.38 31.73 1k8o s VAL 21 CO 0.29 0.19 0.13 1.17 0.00 0.00 0.00 175.10 176.88 1k8o n LYS 22 N 3.66 0.71 -3.77 2.72 0.00 0.38 -4.06 118.16 117.81 1k8o n LYS 22 Ca 0.05 -0.04 -0.15 0.00 0.00 0.00 0.00 58.31 58.18 1k8o n LYS 22 Cb 0.50 -1.51 -0.16 0.00 0.00 0.00 0.00 35.03 33.86 1k8o n LYS 22 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1k8o s GLU 23 N -2.64 -0.03 -0.15 1.64 0.41 -0.85 -4.97 118.70 112.11 1k8o s GLU 23 Ca -0.10 0.20 0.00 0.00 -0.41 0.00 0.00 54.97 54.67 1k8o s GLU 23 Cb 0.07 -0.24 0.02 0.00 -1.78 0.00 0.00 34.13 32.20 1k8o s GLU 23 CO 0.83 -0.17 -0.13 -1.58 -0.49 0.00 0.00 175.26 173.72 1k8o s TRP 24 N 1.08 2.11 -0.22 1.61 0.52 -1.26 -1.69 118.94 121.09 1k8o s TRP 24 Ca -0.09 -1.19 0.11 0.00 0.02 0.00 0.00 56.10 54.94 1k8o s TRP 24 Cb -0.13 -1.56 0.43 0.00 -1.15 0.00 0.00 33.47 31.06 1k8o s TRP 24 CO -0.03 -0.66 1.23 0.66 0.02 0.00 0.00 176.95 178.17 1k8o n TYR 25 N 4.79 0.24 -3.55 -1.98 4.01 -1.09 -5.03 117.16 114.53 1k8o n TYR 25 Ca -0.16 -1.56 -0.12 0.00 -0.16 0.00 0.00 57.90 55.90 1k8o n TYR 25 Cb 0.50 -0.27 -0.04 0.00 -0.31 0.00 0.00 39.34 39.22 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 -3.34 0.03 0.12 -0.72 -7.23 -1.26 -4.61 120.40 103.40 1k8o s VAL 26 Ca 0.39 -0.28 0.04 0.00 -1.81 0.00 0.00 61.98 60.32 1k8o s VAL 26 Cb 0.37 -1.04 -0.04 0.00 0.56 0.00 0.00 36.38 36.23 1k8o s VAL 26 CO -0.06 -0.16 -0.10 -0.54 -0.31 0.00 0.00 175.10 173.93 1k8o s LYS 27 N -3.19 0.94 0.25 4.82 -0.14 -1.26 -5.07 119.74 116.08 1k8o s LYS 27 Ca -0.01 -1.30 -0.31 0.00 -1.36 0.00 0.00 55.97 52.98 1k8o s LYS 27 Cb 0.00 -0.54 -0.13 0.00 -1.68 0.00 0.00 37.83 35.48 1k8o s LYS 27 CO -0.08 0.07 1.41 0.39 -0.76 0.00 0.00 175.35 176.38 1k8o n GLU 28 N 0.17 2.08 -0.90 1.68 4.71 -1.26 -0.40 120.64 126.72 1k8o n GLU 28 Ca -0.13 0.74 0.00 0.00 -0.01 0.00 0.00 57.16 57.76 1k8o n GLU 28 Cb 0.59 -2.40 0.00 0.00 -1.01 0.00 0.00 31.44 28.62 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 2.08 0.59 3.93 0.62 0.00 0.48 -4.89 105.19 108.00 1k8o n GLY 29 Ca 0.11 0.00 -0.27 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 -2.48 6.39 0.04 1.61 2.15 0.14 -4.77 116.67 119.74 1k8o s ASP 30 Ca 0.00 0.43 -0.03 0.00 0.43 0.00 0.00 52.55 53.38 1k8o s ASP 30 Cb 0.00 -2.02 -0.04 0.00 -0.30 0.00 0.00 42.92 40.56 1k8o s ASP 30 CO 0.00 -0.07 0.24 -0.89 -0.17 0.00 0.00 175.17 174.27 1k8o s THR 31 N -1.92 5.35 0.25 1.71 2.01 -1.26 0.16 115.64 121.94 1k8o s THR 31 Ca 0.39 -0.12 0.06 0.00 0.31 0.00 0.00 61.69 62.33 1k8o s THR 31 Cb -0.11 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 1k8o s THR 31 CO 0.29 0.24 0.32 0.68 -0.69 0.00 0.00 174.62 175.47 1k8o s VAL 32 N -1.42 4.92 0.12 3.82 -7.23 0.43 -4.89 120.40 116.15 1k8o s VAL 32 Ca 0.31 -1.11 0.01 0.00 -1.81 0.00 0.00 61.98 59.39 1k8o s VAL 32 Cb -0.13 -3.69 -0.04 0.00 0.56 0.00 0.00 36.38 33.08 1k8o s VAL 32 CO 0.22 -0.32 -0.03 -0.44 -0.31 0.00 0.00 175.10 174.21 1k8o s SER 33 N -3.96 1.06 0.56 4.85 0.01 -1.23 -2.04 113.70 112.94 1k8o s SER 33 Ca 0.35 -1.07 0.31 0.00 1.31 0.00 0.00 55.95 56.85 1k8o s SER 33 Cb -0.09 0.12 1.46 0.00 0.21 0.00 0.00 66.02 67.73 1k8o s SER 33 CO 0.28 -0.52 1.85 1.56 0.41 0.00 0.00 173.24 176.82 1k8o h GLN 34 N 2.89 0.00 0.00 12.44 4.20 -1.89 0.36 115.11 133.10 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 1.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.96 1k8o h GLN 34 CO 0.64 0.00 -1.58 1.97 -0.67 0.00 0.00 178.83 179.19 1k8o n PHE 35 N -4.02 0.14 -3.18 2.96 1.16 -1.26 -4.20 117.46 109.06 1k8o n PHE 35 Ca 0.16 0.04 -0.45 0.00 -1.87 0.00 0.00 57.45 55.33 1k8o n PHE 35 Cb 0.93 -0.45 -0.03 0.00 -1.61 0.00 0.00 39.48 38.32 1k8o n PHE 35 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1k8o s ASP 36 N -4.26 6.46 0.85 5.98 1.01 0.12 -5.04 116.67 121.79 1k8o s ASP 36 Ca -0.03 -2.01 -0.11 0.00 0.71 0.00 0.00 52.55 51.12 1k8o s ASP 36 Cb 0.14 -2.28 0.10 0.00 1.01 0.00 0.00 42.92 41.90 1k8o s ASP 36 CO 0.87 -0.89 1.13 -0.94 0.21 0.00 0.00 175.17 175.55 1k8o s SER 37 N 3.14 3.61 0.00 0.27 1.04 -1.26 -3.55 113.70 116.96 1k8o s SER 37 Ca 0.16 2.06 0.00 0.00 0.48 0.00 0.00 55.95 58.65 1k8o s SER 37 Cb -0.17 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.40 1k8o s SER 37 CO -0.02 -2.64 0.00 -0.38 0.98 0.00 0.00 173.24 171.18 1k8o n ILE 38 N -3.86 0.00 -4.80 -1.02 5.41 -1.03 -4.00 119.36 110.04 1k8o n ILE 38 Ca 0.11 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.55 1k8o n ILE 38 Cb 0.52 -0.50 -0.13 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 -1.20 0.63 0.10 0.00 2.02 -0.68 -1.44 118.70 118.13 1k8o s GLU 40 Ca 0.13 0.03 0.10 0.00 0.02 0.00 0.00 54.97 55.26 1k8o s GLU 40 Cb -0.10 -0.84 -0.04 0.00 0.10 0.00 0.00 34.13 33.24 1k8o s GLU 40 CO 0.03 -0.20 -0.26 0.14 0.02 0.00 0.00 175.26 174.99 1k8o s VAL 41 N 1.47 2.31 -0.10 2.63 -7.23 -0.26 -0.47 120.40 118.75 1k8o s VAL 41 Ca -0.03 -1.62 -0.01 0.00 -1.81 0.00 0.00 61.98 58.51 1k8o s VAL 41 Cb -0.13 -2.00 0.03 0.00 0.56 0.00 0.00 36.38 34.84 1k8o s VAL 41 CO -0.03 0.17 -0.02 -1.10 -0.31 0.00 0.00 175.10 173.81 1k8o s GLN 42 N -1.85 0.93 0.17 4.82 -0.21 -1.25 -0.26 119.66 122.01 1k8o s GLN 42 Ca 0.14 -0.08 0.06 0.00 0.02 0.00 0.00 55.36 55.50 1k8o s GLN 42 Cb -0.10 -1.31 -0.04 0.00 1.00 0.00 0.00 33.01 32.56 1k8o s GLN 42 CO 0.05 -0.33 0.06 0.45 -2.12 0.00 0.00 175.29 173.41 1k8o s SER 43 N 1.87 5.12 0.66 5.90 0.15 0.40 -4.80 113.70 123.00 1k8o s SER 43 Ca 0.04 -0.27 0.35 0.00 0.70 0.00 0.00 55.95 56.78 1k8o s SER 43 Cb -0.13 -1.21 1.92 0.00 -1.71 0.00 0.00 66.02 64.88 1k8o s SER 43 CO -0.06 0.08 2.09 -2.24 1.20 0.00 0.00 173.24 174.31 1k8o h ASP 44 N 2.60 0.00 0.01 5.45 2.03 -2.00 -2.25 116.42 122.25 1k8o h ASP 44 Ca -0.47 0.00 -0.39 0.00 -0.73 0.00 0.00 57.03 55.44 1k8o h ASP 44 Cb 1.20 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.64 1k8o h ASP 44 CO 0.60 0.00 -2.43 2.29 -1.03 0.00 0.00 179.24 178.67 1k8o n LYS 45 N -3.04 0.66 -3.85 4.15 -0.00 -1.26 -5.05 118.16 109.76 1k8o n LYS 45 Ca -0.02 0.17 -0.09 0.00 -0.00 0.00 0.00 58.31 58.37 1k8o n LYS 45 Cb 0.27 -1.54 -0.06 0.00 -0.00 0.00 0.00 35.03 33.70 1k8o n LYS 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1k8o s ALA 46 N -2.52 -0.32 -0.17 0.58 0.00 -0.85 -5.15 121.76 113.33 1k8o s ALA 46 Ca -0.34 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.03 1k8o s ALA 46 Cb 0.09 0.72 0.03 0.00 0.00 0.00 0.00 23.12 23.97 1k8o s ALA 46 CO 0.61 -0.63 -0.13 -1.12 0.00 0.00 0.00 175.76 174.50 1k8o s SER 47 N -2.90 3.00 0.05 0.00 0.01 -1.26 0.15 113.70 112.75 1k8o s SER 47 Ca 0.10 -0.66 0.03 0.00 1.31 0.00 0.00 55.95 56.73 1k8o s SER 47 Cb 0.03 -1.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.01 1k8o s SER 47 CO -0.05 -0.09 0.02 -0.69 0.41 0.00 0.00 173.24 172.83 1k8o s VAL 48 N 1.44 4.18 -0.03 3.43 1.01 0.64 -4.98 120.40 126.09 1k8o s VAL 48 Ca 0.02 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 1k8o s VAL 48 Cb -0.14 -2.94 0.03 0.00 0.00 0.00 0.00 36.38 33.33 1k8o s VAL 48 CO -0.10 0.23 0.03 0.42 0.00 0.00 0.00 175.10 175.69 1k8o s THR 49 N -1.23 -0.00 -0.45 3.92 -4.23 -1.26 -1.10 115.64 111.29 1k8o s THR 49 Ca 0.24 0.24 -0.15 0.00 -1.18 0.00 0.00 61.69 60.84 1k8o s THR 49 Cb -0.12 -0.16 0.06 0.00 1.34 0.00 0.00 72.50 73.62 1k8o s THR 49 CO 0.15 0.13 0.35 -0.63 -0.54 0.00 0.00 174.62 174.09 1k8o s ILE 50 N 1.37 5.14 0.92 2.99 -1.09 -0.52 -5.02 121.20 124.98 1k8o s ILE 50 Ca -0.05 -0.97 -0.16 0.00 -2.23 0.00 0.00 60.65 57.24 1k8o s ILE 50 Cb -0.13 -4.01 0.21 0.00 -1.58 0.00 0.00 42.46 36.95 1k8o s ILE 50 CO -0.03 -0.49 1.22 0.35 -1.23 0.00 0.00 174.94 174.77 1k8o n THR 51 N 5.16 0.00 -0.04 2.92 -2.24 -1.26 -2.47 114.28 116.35 1k8o n THR 51 Ca -0.12 -0.89 -0.05 0.00 -2.27 0.00 0.00 64.05 60.72 1k8o n THR 51 Cb 0.45 -1.53 -0.02 0.00 -2.10 0.00 0.00 70.33 67.12 1k8o n THR 51 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1k8o n SER 52 N -3.84 1.57 0.00 3.42 7.64 -1.26 -4.62 113.62 116.53 1k8o n SER 52 Ca 0.15 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1k8o n SER 52 Cb 0.54 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 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 -4.04 -0.34 -3.69 1.43 -4.01 -1.26 -4.90 116.66 99.85 1k8o n ARG 53 Ca -0.08 0.08 0.02 0.00 -1.04 0.00 0.00 57.85 56.83 1k8o n ARG 53 Cb 0.31 -3.43 -0.00 0.00 -3.04 0.00 0.00 32.46 26.31 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 -2.32 -0.03 -0.22 2.89 5.04 -1.26 -4.88 117.35 116.57 1k8o s TYR 54 Ca 0.00 -0.09 -0.12 0.00 -2.44 0.00 0.00 57.07 54.42 1k8o s TYR 54 Cb 0.00 0.55 -0.05 0.00 0.35 0.00 0.00 41.96 42.82 1k8o s TYR 54 CO 0.00 -0.29 0.23 0.16 -1.34 0.00 0.00 175.55 174.31 1k8o s ASP 55 N -3.14 6.24 0.18 4.32 1.47 -1.26 -3.42 116.67 121.06 1k8o s ASP 55 Ca 0.17 0.27 0.01 0.00 1.18 0.00 0.00 52.55 54.18 1k8o s ASP 55 Cb 0.04 -2.14 -0.05 0.00 -0.34 0.00 0.00 42.92 40.43 1k8o s ASP 55 CO -0.03 0.05 0.02 -0.83 0.68 0.00 0.00 175.17 175.05 1k8o s GLY 56 N 0.91 1.25 -0.29 2.12 0.00 -0.87 -4.76 107.32 105.68 1k8o s GLY 56 Ca 0.11 -1.61 -0.11 0.00 0.00 0.00 0.00 44.72 43.12 1k8o s GLY 56 CO 0.04 -1.52 0.18 0.14 0.00 0.00 0.00 173.10 171.94 1k8o s VAL 57 N -3.70 5.05 -0.26 1.40 1.01 -0.88 0.16 120.40 123.18 1k8o s VAL 57 Ca 0.25 -0.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 1k8o s VAL 57 Cb 0.06 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 1k8o s VAL 57 CO 0.05 0.19 0.21 -0.63 0.00 0.00 0.00 175.10 174.91 1k8o s ILE 58 N 1.71 5.31 -0.26 2.22 1.01 0.41 -1.12 121.20 130.48 1k8o s ILE 58 Ca 0.06 0.24 -0.04 0.00 0.00 0.00 0.00 60.65 60.91 1k8o s ILE 58 Cb -0.16 -3.55 -0.16 0.00 0.01 0.00 0.00 42.46 38.60 1k8o s ILE 58 CO 0.09 0.27 -0.25 1.17 0.00 0.00 0.00 174.94 176.23 1k8o n LYS 59 N 4.81 0.63 -4.02 2.79 4.81 -1.07 0.18 118.16 126.29 1k8o n LYS 59 Ca -0.13 0.20 -0.14 0.00 -0.87 0.00 0.00 58.31 57.36 1k8o n LYS 59 Cb 0.52 -1.52 -0.14 0.00 0.02 0.00 0.00 35.03 33.90 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 0.24 -0.31 1.64 0.00 -1.26 -0.87 119.74 116.66 1k8o s LYS 60 Ca -0.36 -0.08 -0.02 0.00 0.00 0.00 0.00 55.97 55.51 1k8o s LYS 60 Cb 0.11 -0.25 0.11 0.00 0.00 0.00 0.00 37.83 37.80 1k8o s LYS 60 CO 0.57 0.04 0.13 -0.51 0.00 0.00 0.00 175.35 175.58 1k8o s LEU 61 N 0.04 1.27 -0.03 2.77 1.43 -1.26 -3.56 118.68 119.33 1k8o s LEU 61 Ca 0.00 -1.57 -0.22 0.00 -1.03 0.00 0.00 54.13 51.31 1k8o s LEU 61 Cb -0.02 -0.56 -0.25 0.00 0.03 0.00 0.00 46.19 45.38 1k8o s LEU 61 CO -0.00 -0.41 1.02 0.22 0.23 0.00 0.00 176.35 177.41 1k8o h TYR 62 N 8.07 0.46 -3.51 0.29 5.03 -2.00 -3.46 116.97 121.85 1k8o h TYR 62 Ca -0.14 -0.27 -0.53 0.00 2.58 0.00 0.00 58.73 60.37 1k8o h TYR 62 Cb 1.00 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 39.21 1k8o h TYR 62 CO 0.34 1.11 0.21 0.71 -1.32 0.00 0.00 178.16 179.21 1k8o s TYR 63 N -2.98 3.83 0.13 -3.82 2.02 -1.26 -4.97 117.35 110.30 1k8o s TYR 63 Ca -0.14 1.62 0.00 0.00 -0.37 0.00 0.00 57.07 58.18 1k8o s TYR 63 Cb 0.02 -2.85 -0.00 0.00 -0.40 0.00 0.00 41.96 38.73 1k8o s TYR 63 CO 0.79 0.37 0.01 0.09 -1.57 0.00 0.00 175.55 175.24 1k8o n ASN 64 N 2.26 2.13 0.30 2.29 4.13 -1.26 -4.93 115.26 120.17 1k8o n ASN 64 Ca -0.03 -1.60 0.15 0.00 1.68 0.00 0.00 54.58 54.78 1k8o n ASN 64 Cb 0.49 0.13 0.81 0.00 -1.54 0.00 0.00 39.78 39.67 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 -1.94 -1.83 115.31 119.02 1k8o h LEU 65 Ca -0.11 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.70 1k8o h LEU 65 Cb 0.34 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.05 1k8o h LEU 65 CO 0.18 0.00 -1.80 -0.67 -1.08 0.00 0.00 178.44 175.07 1k8o n ASP 66 N -2.76 1.76 -4.82 -0.43 2.03 -1.26 -4.17 116.55 106.91 1k8o n ASP 66 Ca -0.02 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.96 1k8o n ASP 66 Cb 0.29 1.14 -0.06 0.00 -0.72 0.00 0.00 41.12 41.77 1k8o n ASP 66 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1k8o s ASP 67 N -4.24 6.81 -0.05 1.67 1.01 -0.69 -4.84 116.67 116.34 1k8o s ASP 67 Ca -0.06 1.72 -0.03 0.00 0.71 0.00 0.00 52.55 54.89 1k8o s ASP 67 Cb 0.06 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 1k8o s ASP 67 CO 0.56 -0.45 0.10 -0.63 0.21 0.00 0.00 175.17 174.96 1k8o s ILE 68 N -2.18 5.00 -0.01 0.77 -1.09 -1.26 -2.63 121.20 119.79 1k8o s ILE 68 Ca 0.63 -0.16 -0.00 0.00 -2.23 0.00 0.00 60.65 58.89 1k8o s ILE 68 Cb -0.10 -3.23 -0.04 0.00 -1.58 0.00 0.00 42.46 37.51 1k8o s ILE 68 CO 0.16 0.47 0.05 0.00 -1.23 0.00 0.00 174.94 174.38 1k8o s ALA 69 N -1.11 3.46 -0.10 9.38 0.00 0.18 -4.93 121.76 128.64 1k8o s ALA 69 Ca 0.20 -0.89 -0.11 0.00 0.00 0.00 0.00 51.96 51.16 1k8o s ALA 69 Cb -0.12 -1.49 -0.05 0.00 0.00 0.00 0.00 23.12 21.46 1k8o s ALA 69 CO 0.10 0.66 0.25 0.71 0.00 0.00 0.00 175.76 177.49 1k8o s TYR 70 N -1.13 3.60 0.33 0.00 1.51 -1.26 -2.84 117.35 117.56 1k8o s TYR 70 Ca 0.21 0.67 -0.28 0.00 -1.01 0.00 0.00 57.07 56.66 1k8o s TYR 70 Cb -0.12 -2.15 -0.12 0.00 -0.11 0.00 0.00 41.96 39.46 1k8o s TYR 70 CO 0.11 0.58 1.32 0.28 -1.11 0.00 0.00 175.55 176.73 1k8o n VAL 71 N 2.36 1.85 -1.04 0.71 0.31 -1.26 -1.85 118.33 119.41 1k8o n VAL 71 Ca -0.16 -0.46 -0.01 0.00 -0.01 0.00 0.00 64.34 63.69 1k8o n VAL 71 Cb 0.53 -1.58 -0.01 0.00 -0.91 0.00 0.00 33.84 31.88 1k8o n VAL 71 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1k8o n GLY 72 N 0.97 0.32 3.33 2.92 0.00 -0.59 -4.96 105.19 107.18 1k8o n GLY 72 Ca 0.06 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.46 3.32 0.29 1.61 1.02 -0.77 -4.97 119.74 118.78 1k8o s LYS 73 Ca 0.00 -0.71 -0.29 0.00 0.02 0.00 0.00 55.97 54.99 1k8o s LYS 73 Cb 0.00 -2.63 -0.10 0.00 -0.52 0.00 0.00 37.83 34.58 1k8o s LYS 73 CO 0.00 0.13 1.28 -2.14 -0.92 0.00 0.00 175.35 173.70 1k8o s PRO 74 N 0.55 4.40 0.00 -1.68 0.02 -1.26 -2.49 135.00 134.54 1k8o s PRO 74 Ca -0.09 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.05 1k8o s PRO 74 Cb -0.16 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.24 1k8o s PRO 74 CO 0.04 -0.15 0.00 1.47 -0.33 0.00 0.00 177.00 178.03 1k8o n LEU 75 N 1.36 0.00 -3.92 -5.54 -0.00 0.39 -4.92 117.00 104.36 1k8o n LEU 75 Ca 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.91 1k8o n LEU 75 Cb 0.42 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.71 1k8o n LEU 75 CO 0.58 0.00 -0.37 0.54 -0.00 0.00 0.00 177.39 178.14 1k8o s VAL 76 N -1.75 0.12 -0.19 1.47 0.11 -1.10 -3.73 120.40 115.34 1k8o s VAL 76 Ca 0.00 -0.35 -0.05 0.00 -2.93 0.00 0.00 61.98 58.65 1k8o s VAL 76 Cb 0.00 -0.16 -0.03 0.00 -1.53 0.00 0.00 36.38 34.66 1k8o s VAL 76 CO 0.00 -0.14 -0.00 -1.81 -3.33 0.00 0.00 175.10 169.81 1k8o s ASP 77 N -0.52 4.90 0.03 3.54 1.11 -1.23 -0.24 116.67 124.26 1k8o s ASP 77 Ca -0.05 -0.16 0.01 0.00 0.18 0.00 0.00 52.55 52.54 1k8o s ASP 77 Cb -0.04 -1.83 -0.02 0.00 1.07 0.00 0.00 42.92 42.11 1k8o s ASP 77 CO -0.00 0.10 -0.05 -0.63 1.18 0.00 0.00 175.17 175.76 1k8o s ILE 78 N 0.79 0.34 -0.35 0.77 1.09 0.15 -2.61 121.20 121.37 1k8o s ILE 78 Ca 0.00 -0.88 -0.13 0.00 -1.10 0.00 0.00 60.65 58.54 1k8o s ILE 78 Cb -0.14 -0.42 -0.01 0.00 -1.06 0.00 0.00 42.46 40.83 1k8o s ILE 78 CO 0.02 -0.36 0.26 -1.61 -0.10 0.00 0.00 174.94 173.14 1k8o s GLU 79 N -1.33 3.41 0.04 2.79 2.02 -0.27 0.17 118.70 125.53 1k8o s GLU 79 Ca -0.11 -0.70 -0.03 0.00 0.02 0.00 0.00 54.97 54.15 1k8o s GLU 79 Cb -0.09 -3.84 -0.02 0.00 0.10 0.00 0.00 34.13 30.28 1k8o s GLU 79 CO -0.00 -0.50 0.03 0.95 0.02 0.00 0.00 175.26 175.75 1k8o s THR 80 N 1.73 0.17 0.59 3.63 -4.23 -1.26 -2.07 115.64 114.19 1k8o s THR 80 Ca 0.06 -1.36 -0.19 0.00 -1.18 0.00 0.00 61.69 59.01 1k8o s THR 80 Cb -0.18 -1.07 -0.04 0.00 1.34 0.00 0.00 72.50 72.55 1k8o s THR 80 CO 0.11 -0.75 1.15 1.21 -0.54 0.00 0.00 174.62 175.80 1k8o n GLU 81 N 0.59 1.18 -1.32 3.99 4.07 -1.26 -4.73 120.64 123.15 1k8o n GLU 81 Ca -0.18 0.45 -0.58 0.00 -0.06 0.00 0.00 57.16 56.79 1k8o n GLU 81 Cb 0.59 -2.36 -0.11 0.00 -0.06 0.00 0.00 31.44 29.50 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 -1.53 0.31 -2.94 4.31 0.00 -1.26 -4.92 120.51 114.48 1k8o n ALA 82 Ca 0.13 0.16 -0.28 0.00 0.00 0.00 0.00 53.44 53.45 1k8o n ALA 82 Cb 0.46 -2.17 -0.16 0.00 0.00 0.00 0.00 19.45 17.58 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 6.06 1.96 0.63 0.00 1.02 -1.26 -5.00 118.68 122.09 1k8o s LEU 83 Ca 1.17 -0.43 0.30 0.00 0.02 0.00 0.00 54.13 55.19 1k8o s LEU 83 Cb -1.36 -1.14 1.59 0.00 0.02 0.00 0.00 46.19 45.29 1k8o s LEU 83 CO 0.63 0.17 1.94 0.07 0.02 0.00 0.00 176.35 179.19 1k8o h LYS 84 N 6.31 0.00 -0.78 1.70 5.09 -1.92 -0.30 116.57 126.68 1k8o h LYS 84 Ca -0.30 0.00 0.16 0.00 0.09 0.00 0.00 60.65 60.60 1k8o h LYS 84 Cb 1.18 0.00 -0.15 0.00 0.10 0.00 0.00 32.23 33.37 1k8o h LYS 84 CO 0.47 0.00 -0.15 0.22 -2.09 0.00 0.00 179.45 177.91 1k8o h ASP 85 N 0.00 -0.64 0.00 7.07 1.82 -1.98 -3.23 116.42 119.46 1k8o h ASP 85 Ca 0.09 0.23 -0.03 0.00 -0.39 0.00 0.00 57.03 56.92 1k8o h ASP 85 Cb 0.82 0.45 -0.01 0.00 0.68 0.00 0.00 39.33 41.28 1k8o h ASP 85 CO -0.00 -0.25 -1.14 -0.11 -1.61 0.00 0.00 179.24 176.13 1k8o n LEU 86 N -5.48 0.00 0.00 2.28 7.94 -0.94 -5.19 117.00 115.61 1k8o n LEU 86 Ca 0.12 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.02 1k8o n LEU 86 Cb 0.42 0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.42 1k8o n LEU 86 CO -0.01 0.04 0.05 -0.62 -1.11 0.00 0.00 177.39 175.75