#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 1.32 3.81 3.03 0.00 -1.26 -5.12 105.19 106.96 1k8o n GLY 2 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 4.36 0.03 1.61 -0.21 -1.26 -5.07 119.66 119.12 1k8o s GLN 3 Ca 0.00 1.14 0.03 0.00 0.02 0.00 0.00 55.36 56.55 1k8o s GLN 3 Cb 0.00 -2.55 -0.02 0.00 1.00 0.00 0.00 33.01 31.45 1k8o s GLN 3 CO 0.00 0.17 -0.09 0.14 -2.12 0.00 0.00 175.29 173.39 1k8o s VAL 4 N -1.85 0.67 -0.14 1.09 -7.23 -1.26 -4.70 120.40 106.99 1k8o s VAL 4 Ca 0.54 -0.83 -0.12 0.00 -1.81 0.00 0.00 61.98 59.76 1k8o s VAL 4 Cb -0.14 -0.66 -0.05 0.00 0.56 0.00 0.00 36.38 36.10 1k8o s VAL 4 CO 0.19 -0.14 0.25 0.68 -0.31 0.00 0.00 175.10 175.77 1k8o s VAL 5 N -0.89 5.33 0.03 1.32 -7.23 0.54 -4.77 120.40 114.74 1k8o s VAL 5 Ca -0.03 0.45 0.03 0.00 -1.81 0.00 0.00 61.98 60.61 1k8o s VAL 5 Cb -0.07 -3.57 -0.04 0.00 0.56 0.00 0.00 36.38 33.26 1k8o s VAL 5 CO 0.01 0.47 -0.01 -1.10 -0.31 0.00 0.00 175.10 174.15 1k8o s GLN 6 N -0.02 2.68 -0.33 4.82 1.11 -1.26 0.54 119.66 127.20 1k8o s GLN 6 Ca 0.15 -0.70 -0.14 0.00 0.01 0.00 0.00 55.36 54.68 1k8o s GLN 6 Cb -0.13 -2.60 -0.02 0.00 -1.01 0.00 0.00 33.01 29.25 1k8o s GLN 6 CO 0.04 0.59 0.32 0.12 0.01 0.00 0.00 175.29 176.37 1k8o s PHE 7 N -1.15 3.22 -0.17 0.91 5.36 0.21 -4.93 117.98 121.42 1k8o s PHE 7 Ca 0.21 -0.05 -0.02 0.00 -0.96 0.00 0.00 56.93 56.12 1k8o s PHE 7 Cb -0.12 -2.60 -0.01 0.00 -0.34 0.00 0.00 43.02 39.96 1k8o s PHE 7 CO 0.13 -0.39 -0.09 0.21 -1.46 0.00 0.00 175.22 173.61 1k8o s LYS 8 N 1.93 3.38 -0.19 10.12 2.20 -1.26 0.68 119.74 136.60 1k8o s LYS 8 Ca 0.10 -0.66 -0.32 0.00 -0.36 0.00 0.00 55.97 54.73 1k8o s LYS 8 Cb -0.17 -2.79 -0.09 0.00 -1.51 0.00 0.00 37.83 33.27 1k8o s LYS 8 CO 0.11 0.03 2.07 -0.11 -0.36 0.00 0.00 175.35 177.10 1k8o n LEU 9 N 4.08 3.09 -0.27 5.43 -0.00 -1.26 -4.76 117.00 123.31 1k8o n LEU 9 Ca -0.18 0.59 0.00 0.00 -0.00 0.00 0.00 56.01 56.42 1k8o n LEU 9 Cb 0.52 -1.41 0.00 0.00 -0.00 0.00 0.00 43.42 42.53 1k8o n LEU 9 CO 0.30 -0.41 0.24 -0.24 -0.00 0.00 0.00 177.39 177.28 1k8o n SER 10 N 9.08 0.00 0.09 1.96 2.88 -1.26 -3.40 113.62 122.97 1k8o n SER 10 Ca 0.30 -1.49 0.12 0.00 -1.33 0.00 0.00 58.87 56.46 1k8o n SER 10 Cb 0.33 -0.10 0.10 0.00 -0.75 0.00 0.00 64.21 63.79 1k8o n SER 10 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1k8o h ASP 11 N 0.00 0.00 -2.93 -3.46 3.58 -1.99 -3.47 116.42 108.15 1k8o h ASP 11 Ca 0.00 -0.11 -0.47 0.00 0.42 0.00 0.00 57.03 56.87 1k8o h ASP 11 Cb 1.20 0.00 0.03 0.00 1.72 0.00 0.00 39.33 42.27 1k8o h ASP 11 CO 0.00 0.05 -0.08 -0.63 -2.88 0.00 0.00 179.24 175.70 1k8o s ILE 12 N -3.25 4.46 0.98 2.25 1.01 -1.26 -5.00 121.20 120.39 1k8o s ILE 12 Ca 0.04 -0.36 -0.14 0.00 0.00 0.00 0.00 60.65 60.19 1k8o s ILE 12 Cb 0.11 -3.65 0.18 0.00 0.01 0.00 0.00 42.46 39.11 1k8o s ILE 12 CO 0.74 -0.49 1.14 -0.83 0.00 0.00 0.00 174.94 175.50 1k8o s GLY 13 N -4.15 1.59 0.36 6.18 0.00 -1.26 -4.82 107.32 105.22 1k8o s GLY 13 Ca 0.46 -0.61 0.12 0.00 0.00 0.00 0.00 44.72 44.69 1k8o s GLY 13 CO 0.39 0.03 1.81 -2.09 0.00 0.00 0.00 173.10 173.24 1k8o h GLU 14 N -1.78 0.03 -1.29 2.90 4.81 -1.98 -3.36 114.58 113.91 1k8o h GLU 14 Ca -0.50 -0.01 -0.39 0.00 -0.13 0.00 0.00 59.36 58.32 1k8o h GLU 14 Cb 1.32 -0.00 -0.33 0.00 0.63 0.00 0.00 28.75 30.37 1k8o h GLU 14 CO 0.55 0.41 -0.99 0.41 -0.73 0.00 0.00 179.01 178.66 1k8o n GLY 15 N -0.43 2.49 0.00 1.92 0.00 -1.26 -5.01 105.19 102.91 1k8o n GLY 15 Ca -0.02 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 0.19 0.00 -2.56 -0.61 -5.35 -1.26 -5.14 119.36 104.63 1k8o n ILE 16 Ca 0.17 0.00 -0.37 0.00 -0.27 0.00 0.00 62.75 62.27 1k8o n ILE 16 Cb 0.71 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 38.56 1k8o n ILE 16 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1k8o s ARG 17 N 1.55 4.32 0.52 6.28 3.52 -1.26 -4.94 118.95 128.94 1k8o s ARG 17 Ca 0.00 1.55 0.08 0.00 -0.13 0.00 0.00 55.73 57.22 1k8o s ARG 17 Cb 0.00 -2.71 0.06 0.00 -1.56 0.00 0.00 34.95 30.74 1k8o s ARG 17 CO 0.00 -0.01 0.71 -1.21 -0.81 0.00 0.00 175.30 173.98 1k8o s GLU 18 N -2.22 2.49 0.08 5.12 0.41 -1.26 -4.63 118.70 118.69 1k8o s GLU 18 Ca 0.54 -1.39 0.09 0.00 -0.41 0.00 0.00 54.97 53.80 1k8o s GLU 18 Cb -0.24 -2.66 -0.03 0.00 -1.78 0.00 0.00 34.13 29.42 1k8o s GLU 18 CO 0.30 -0.65 -0.23 0.54 -0.49 0.00 0.00 175.26 174.73 1k8o s VAL 19 N -2.58 1.88 0.29 2.63 0.11 -1.15 -4.94 120.40 116.64 1k8o s VAL 19 Ca 0.59 -1.47 0.05 0.00 -2.93 0.00 0.00 61.98 58.22 1k8o s VAL 19 Cb -0.08 -1.66 -0.02 0.00 -1.53 0.00 0.00 36.38 33.09 1k8o s VAL 19 CO 0.37 0.11 0.42 -0.89 -3.33 0.00 0.00 175.10 171.78 1k8o s THR 20 N -0.99 4.81 -0.37 5.04 2.01 -1.26 0.05 115.64 124.93 1k8o s THR 20 Ca 0.09 -0.93 -0.28 0.00 0.31 0.00 0.00 61.69 60.87 1k8o s THR 20 Cb -0.10 -3.70 0.02 0.00 0.01 0.00 0.00 72.50 68.74 1k8o s THR 20 CO 0.04 -0.29 1.07 -0.69 -0.69 0.00 0.00 174.62 174.05 1k8o s VAL 21 N -2.09 4.44 0.12 3.82 1.01 -1.05 -3.75 120.40 122.89 1k8o s VAL 21 Ca 0.39 1.51 0.07 0.00 0.00 0.00 0.00 61.98 63.94 1k8o s VAL 21 Cb -0.09 -4.46 -0.21 0.00 0.00 0.00 0.00 36.38 31.62 1k8o s VAL 21 CO 0.31 -0.63 1.28 0.50 0.00 0.00 0.00 175.10 176.55 1k8o h LYS 22 N 8.46 0.01 -3.78 2.72 3.64 0.14 -3.37 116.57 124.40 1k8o h LYS 22 Ca -0.22 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 58.94 1k8o h LYS 22 Cb 1.06 0.01 -0.25 0.00 -0.41 0.00 0.00 32.23 32.64 1k8o h LYS 22 CO 1.05 1.01 -0.69 -2.00 -2.27 0.00 0.00 179.45 176.54 1k8o s GLU 23 N -2.72 0.13 -0.11 1.90 -6.30 -0.77 -4.97 118.70 105.86 1k8o s GLU 23 Ca 0.01 -0.20 -0.03 0.00 -2.50 0.00 0.00 54.97 52.24 1k8o s GLU 23 Cb 0.10 0.05 0.04 0.00 0.00 0.00 0.00 34.13 34.32 1k8o s GLU 23 CO 0.82 -0.02 0.06 -1.58 0.02 0.00 0.00 175.26 174.56 1k8o s TRP 24 N -0.53 0.34 -0.54 5.30 0.23 -1.26 -2.07 118.94 120.41 1k8o s TRP 24 Ca -0.06 -0.18 0.08 0.00 -2.03 0.00 0.00 56.10 53.91 1k8o s TRP 24 Cb -0.04 -0.69 -0.04 0.00 0.03 0.00 0.00 33.47 32.73 1k8o s TRP 24 CO -0.00 -0.39 0.44 0.98 0.96 0.00 0.00 176.95 178.93 1k8o n TYR 25 N 5.23 0.00 -4.27 -1.98 9.36 -1.09 -5.03 117.16 119.38 1k8o n TYR 25 Ca -0.06 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.00 1k8o n TYR 25 Cb 0.49 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 39.10 1k8o n TYR 25 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1k8o s VAL 26 N -1.44 1.33 0.28 2.97 -7.23 -1.25 -4.96 120.40 110.10 1k8o s VAL 26 Ca 0.05 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.25 1k8o s VAL 26 Cb 0.06 -1.80 -0.06 0.00 0.56 0.00 0.00 36.38 35.14 1k8o s VAL 26 CO 0.25 -0.63 0.02 -0.75 -0.31 0.00 0.00 175.10 173.68 1k8o s LYS 27 N -3.44 1.51 0.26 4.82 2.20 -1.26 -5.04 119.74 118.78 1k8o s LYS 27 Ca 0.16 -1.80 -0.30 0.00 -0.36 0.00 0.00 55.97 53.67 1k8o s LYS 27 Cb -0.00 -0.79 -0.14 0.00 -1.51 0.00 0.00 37.83 35.39 1k8o s LYS 27 CO 0.03 -0.12 1.23 0.39 -0.36 0.00 0.00 175.35 176.52 1k8o n GLU 28 N -0.56 1.72 -0.88 4.03 1.02 -1.26 -0.57 120.64 124.14 1k8o n GLU 28 Ca -0.04 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 1k8o n GLU 28 Cb 0.65 -2.15 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 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 1.58 0.50 3.93 0.62 0.00 0.45 -4.89 105.19 107.38 1k8o n GLY 29 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.38 6.38 -0.05 1.61 -1.08 0.83 -4.78 116.67 117.20 1k8o s ASP 30 Ca 0.00 0.34 -0.04 0.00 -0.52 0.00 0.00 52.55 52.32 1k8o s ASP 30 Cb 0.00 -1.98 -0.04 0.00 -1.46 0.00 0.00 42.92 39.44 1k8o s ASP 30 CO 0.00 0.01 0.17 -0.89 0.52 0.00 0.00 175.17 174.98 1k8o s THR 31 N -1.78 5.46 0.27 1.71 2.01 -1.26 0.16 115.64 122.21 1k8o s THR 31 Ca 0.37 -0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.41 1k8o s THR 31 Cb -0.11 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 1k8o s THR 31 CO 0.28 0.44 0.37 0.68 -0.69 0.00 0.00 174.62 175.70 1k8o s VAL 32 N -1.21 4.88 0.27 3.82 -7.23 0.40 -4.91 120.40 116.43 1k8o s VAL 32 Ca 0.23 -1.03 0.03 0.00 -1.81 0.00 0.00 61.98 59.39 1k8o s VAL 32 Cb -0.12 -3.71 -0.06 0.00 0.56 0.00 0.00 36.38 33.05 1k8o s VAL 32 CO 0.13 -0.29 0.06 -0.44 -0.31 0.00 0.00 175.10 174.26 1k8o s SER 33 N -4.02 1.70 0.60 4.85 0.01 -1.21 -1.98 113.70 113.65 1k8o s SER 33 Ca 0.37 -1.35 0.30 0.00 1.31 0.00 0.00 55.95 56.58 1k8o s SER 33 Cb -0.09 0.05 1.78 0.00 0.21 0.00 0.00 66.02 67.97 1k8o s SER 33 CO 0.29 -0.65 2.18 1.56 0.41 0.00 0.00 173.24 177.04 1k8o h GLN 34 N 2.32 0.00 0.00 12.44 4.20 -1.87 -1.26 115.11 130.93 1k8o h GLN 34 Ca -0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.32 1k8o h GLN 34 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1k8o h GLN 34 CO 0.64 0.00 -1.59 1.19 -0.67 0.00 0.00 178.83 178.40 1k8o n PHE 35 N -3.77 0.00 -3.31 2.96 3.72 -1.26 -4.05 117.46 111.76 1k8o n PHE 35 Ca -0.01 0.00 -0.47 0.00 -0.05 0.00 0.00 57.45 56.92 1k8o n PHE 35 Cb 0.20 -0.32 -0.02 0.00 -0.94 0.00 0.00 39.48 38.40 1k8o n PHE 35 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1k8o s ASP 36 N -3.78 6.68 0.92 4.37 1.11 -0.47 -5.02 116.67 120.47 1k8o s ASP 36 Ca -0.03 -2.53 -0.10 0.00 0.18 0.00 0.00 52.55 50.07 1k8o s ASP 36 Cb 0.12 -2.22 0.15 0.00 1.07 0.00 0.00 42.92 42.05 1k8o s ASP 36 CO 0.77 -0.64 1.14 -0.94 1.18 0.00 0.00 175.17 176.69 1k8o s SER 37 N 2.43 2.82 0.00 0.27 1.04 -1.26 -3.32 113.70 115.68 1k8o s SER 37 Ca 0.16 2.17 0.00 0.00 0.48 0.00 0.00 55.95 58.77 1k8o s SER 37 Cb -0.13 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1k8o s SER 37 CO -0.07 -3.16 0.00 -0.38 0.98 0.00 0.00 173.24 170.60 1k8o n ILE 38 N -4.27 0.00 -4.07 -1.02 5.41 -1.04 -4.17 119.36 110.20 1k8o n ILE 38 Ca 0.12 0.32 -0.07 0.00 1.00 0.00 0.00 62.75 64.11 1k8o n ILE 38 Cb 0.52 -1.06 -0.10 0.00 -0.71 0.00 0.00 39.64 38.29 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 -3.66 0.31 0.04 0.00 2.02 -0.88 -0.45 118.70 116.08 1k8o s GLU 40 Ca 0.05 0.15 0.08 0.00 0.02 0.00 0.00 54.97 55.26 1k8o s GLU 40 Cb 0.06 -0.64 -0.03 0.00 0.10 0.00 0.00 34.13 33.62 1k8o s GLU 40 CO -0.09 -0.23 -0.20 0.14 0.02 0.00 0.00 175.26 174.90 1k8o s VAL 41 N 1.56 2.61 -0.03 2.63 -7.23 0.19 0.17 120.40 120.29 1k8o s VAL 41 Ca -0.02 -1.22 0.02 0.00 -1.81 0.00 0.00 61.98 58.95 1k8o s VAL 41 Cb -0.13 -2.07 0.01 0.00 0.56 0.00 0.00 36.38 34.75 1k8o s VAL 41 CO -0.03 0.36 -0.07 -1.10 -0.31 0.00 0.00 175.10 173.95 1k8o s GLN 42 N -1.33 0.90 0.07 4.82 1.11 -1.25 -0.16 119.66 123.82 1k8o s GLN 42 Ca 0.14 -0.23 0.04 0.00 0.01 0.00 0.00 55.36 55.32 1k8o s GLN 42 Cb -0.10 -0.85 -0.03 0.00 -1.01 0.00 0.00 33.01 31.02 1k8o s GLN 42 CO 0.04 0.05 -0.12 -1.12 0.01 0.00 0.00 175.29 174.14 1k8o s SER 43 N 0.41 1.44 0.56 5.90 0.01 -0.70 -4.56 113.70 116.76 1k8o s SER 43 Ca -0.06 -0.62 0.29 0.00 1.31 0.00 0.00 55.95 56.88 1k8o s SER 43 Cb -0.10 -0.02 1.46 0.00 0.21 0.00 0.00 66.02 67.57 1k8o s SER 43 CO 0.01 -0.13 1.91 0.44 0.41 0.00 0.00 173.24 175.88 1k8o h ASP 44 N 4.28 0.00 0.11 2.44 3.32 -2.01 -2.48 116.42 122.08 1k8o h ASP 44 Ca -0.39 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 1k8o h ASP 44 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1k8o h ASP 44 CO 0.41 0.00 -0.05 0.50 -1.72 0.00 0.00 179.24 178.38 1k8o h LYS 45 N 0.00 -0.14 -3.69 3.56 3.11 -2.01 -3.49 116.57 113.91 1k8o h LYS 45 Ca 0.31 0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 58.07 1k8o h LYS 45 Cb 1.38 0.03 -0.15 0.00 -1.00 0.00 0.00 32.23 32.50 1k8o h LYS 45 CO -0.00 -0.10 -0.34 0.00 -2.81 0.00 0.00 179.45 176.20 1k8o s ALA 46 N -3.00 -0.35 -0.12 5.00 0.00 -0.93 -5.16 121.76 117.19 1k8o s ALA 46 Ca -0.02 -0.46 -0.06 0.00 0.00 0.00 0.00 51.96 51.42 1k8o s ALA 46 Cb 0.00 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 1k8o s ALA 46 CO 0.07 -0.49 0.09 0.45 0.00 0.00 0.00 175.76 175.88 1k8o s SER 47 N -2.66 5.96 -0.17 0.00 0.15 -1.26 -1.72 113.70 114.00 1k8o s SER 47 Ca 0.02 0.32 -0.02 0.00 0.70 0.00 0.00 55.95 56.97 1k8o s SER 47 Cb 0.03 -1.88 0.05 0.00 -1.71 0.00 0.00 66.02 62.51 1k8o s SER 47 CO -0.09 0.36 0.02 -0.69 1.20 0.00 0.00 173.24 174.04 1k8o s VAL 48 N -0.77 0.59 -0.12 4.45 1.01 0.77 -4.99 120.40 121.34 1k8o s VAL 48 Ca 0.13 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1k8o s VAL 48 Cb -0.12 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 1k8o s VAL 48 CO 0.03 -0.11 -0.11 0.42 0.00 0.00 0.00 175.10 175.33 1k8o s THR 49 N 1.84 3.27 -0.44 3.92 -4.23 -1.26 0.55 115.64 119.29 1k8o s THR 49 Ca -0.00 -0.59 -0.13 0.00 -1.18 0.00 0.00 61.69 59.79 1k8o s THR 49 Cb -0.16 -2.38 0.07 0.00 1.34 0.00 0.00 72.50 71.37 1k8o s THR 49 CO -0.07 0.53 0.33 -0.63 -0.54 0.00 0.00 174.62 174.23 1k8o s ILE 50 N 0.19 4.82 0.76 2.99 -1.09 0.41 -4.98 121.20 124.30 1k8o s ILE 50 Ca -0.06 -1.16 -0.08 0.00 -2.23 0.00 0.00 60.65 57.12 1k8o s ILE 50 Cb -0.15 -3.88 0.17 0.00 -1.58 0.00 0.00 42.46 37.01 1k8o s ILE 50 CO 0.04 -0.52 1.04 0.35 -1.23 0.00 0.00 174.94 174.62 1k8o n THR 51 N 5.08 0.00 0.00 2.92 -2.24 -1.26 -2.50 114.28 116.28 1k8o n THR 51 Ca -0.11 -1.10 0.00 0.00 -2.27 0.00 0.00 64.05 60.56 1k8o n THR 51 Cb 0.44 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 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 -3.37 0.00 0.00 3.42 7.64 -1.26 -4.54 113.62 115.51 1k8o n SER 52 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1k8o n SER 52 Cb 0.51 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 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 -2.27 0.00 -3.80 1.43 -4.01 -1.26 -4.92 116.66 101.83 1k8o n ARG 53 Ca 0.00 0.00 -0.05 0.00 -1.04 0.00 0.00 57.85 56.76 1k8o n ARG 53 Cb 0.00 -1.23 -0.01 0.00 -3.04 0.00 0.00 32.46 28.18 1k8o n ARG 53 CO 0.00 0.00 0.00 0.71 -3.04 0.00 0.00 177.63 175.30 1k8o s TYR 54 N -2.63 -0.10 -0.25 2.89 2.02 -1.26 -4.81 117.35 113.20 1k8o s TYR 54 Ca 0.00 -0.30 -0.13 0.00 -0.37 0.00 0.00 57.07 56.27 1k8o s TYR 54 Cb 0.00 0.68 -0.04 0.00 -0.40 0.00 0.00 41.96 42.20 1k8o s TYR 54 CO 0.00 -1.02 0.30 -0.51 -1.57 0.00 0.00 175.55 172.75 1k8o s ASP 55 N -3.00 6.21 0.20 2.29 1.11 -1.26 -3.58 116.67 118.64 1k8o s ASP 55 Ca 0.13 0.24 0.03 0.00 0.18 0.00 0.00 52.55 53.12 1k8o s ASP 55 Cb -0.03 -2.18 -0.05 0.00 1.07 0.00 0.00 42.92 41.74 1k8o s ASP 55 CO 0.05 -0.09 -0.00 -0.83 1.18 0.00 0.00 175.17 175.48 1k8o s GLY 56 N 1.44 1.36 -0.25 0.21 0.00 -0.84 -4.79 107.32 104.44 1k8o s GLY 56 Ca 0.13 -1.66 -0.09 0.00 0.00 0.00 0.00 44.72 43.10 1k8o s GLY 56 CO 0.09 -1.59 0.12 0.14 0.00 0.00 0.00 173.10 171.86 1k8o s VAL 57 N -3.55 4.78 -0.22 1.40 1.01 -0.88 0.15 120.40 123.09 1k8o s VAL 57 Ca 0.26 -0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.11 1k8o s VAL 57 Cb 0.06 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 1k8o s VAL 57 CO 0.06 0.32 0.19 -0.63 0.00 0.00 0.00 175.10 175.04 1k8o s ILE 58 N 1.48 5.36 -0.27 2.22 1.01 0.43 -0.56 121.20 130.87 1k8o s ILE 58 Ca 0.06 0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.92 1k8o s ILE 58 Cb -0.15 -3.52 -0.15 0.00 0.01 0.00 0.00 42.46 38.65 1k8o s ILE 58 CO 0.06 0.37 -0.28 2.29 0.00 0.00 0.00 174.94 177.38 1k8o n LYS 59 N 3.98 0.62 -3.84 2.79 2.85 -0.97 0.17 118.16 123.76 1k8o n LYS 59 Ca -0.14 0.21 -0.12 0.00 -1.05 0.00 0.00 58.31 57.20 1k8o n LYS 59 Cb 0.52 -1.51 -0.13 0.00 -0.65 0.00 0.00 35.03 33.26 1k8o n LYS 59 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 1k8o s LYS 60 N -2.51 0.15 -0.28 -1.58 0.00 -1.26 -1.03 119.74 113.22 1k8o s LYS 60 Ca -0.37 0.11 0.01 0.00 0.00 0.00 0.00 55.97 55.73 1k8o s LYS 60 Cb 0.12 0.07 0.08 0.00 0.00 0.00 0.00 37.83 38.10 1k8o s LYS 60 CO 0.55 -0.02 0.01 -0.51 0.00 0.00 0.00 175.35 175.38 1k8o s LEU 61 N -0.05 3.13 0.05 2.77 1.43 -1.26 -3.49 118.68 121.27 1k8o s LEU 61 Ca -0.01 -1.58 -0.19 0.00 -1.03 0.00 0.00 54.13 51.32 1k8o s LEU 61 Cb -0.01 -1.23 -0.14 0.00 0.03 0.00 0.00 46.19 44.83 1k8o s LEU 61 CO 0.00 -0.32 1.33 0.22 0.23 0.00 0.00 176.35 177.81 1k8o h TYR 62 N 7.89 0.54 -3.32 0.29 3.20 -1.95 -3.45 116.97 120.17 1k8o h TYR 62 Ca -0.13 -0.18 -0.65 0.00 3.14 0.00 0.00 58.73 60.92 1k8o h TYR 62 Cb 1.04 -0.11 -0.18 0.00 1.54 0.00 0.00 36.73 39.02 1k8o h TYR 62 CO 0.45 0.85 -0.63 0.71 -1.64 0.00 0.00 178.16 177.90 1k8o s TYR 63 N -4.19 3.11 0.00 -3.82 2.02 -1.26 -5.02 117.35 108.18 1k8o s TYR 63 Ca -0.14 -0.07 0.00 0.00 -0.37 0.00 0.00 57.07 56.50 1k8o s TYR 63 Cb 0.06 -1.92 0.00 0.00 -0.40 0.00 0.00 41.96 39.69 1k8o s TYR 63 CO 0.78 0.16 0.00 0.09 -1.57 0.00 0.00 175.55 175.01 1k8o n ASN 64 N 3.08 0.00 0.29 2.29 4.13 -1.26 -4.87 115.26 118.92 1k8o n ASN 64 Ca -0.18 -0.69 0.19 0.00 1.68 0.00 0.00 54.58 55.58 1k8o n ASN 64 Cb 0.53 0.00 0.98 0.00 -1.54 0.00 0.00 39.78 39.74 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 -1.93 -2.00 115.31 118.17 1k8o h LEU 65 Ca 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 1k8o h LEU 65 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1k8o h LEU 65 CO 0.00 0.00 -2.12 -0.67 0.09 0.00 0.00 178.44 175.74 1k8o n ASP 66 N -3.34 0.41 -4.78 -0.43 -0.08 -1.26 -3.80 116.55 103.27 1k8o n ASP 66 Ca -0.01 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.92 1k8o n ASP 66 Cb 0.23 1.38 -0.01 0.00 2.34 0.00 0.00 41.12 45.06 1k8o n ASP 66 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1k8o s ASP 67 N -4.85 5.93 -0.10 1.67 1.11 -0.75 -4.81 116.67 114.87 1k8o s ASP 67 Ca -0.08 2.11 -0.00 0.00 0.18 0.00 0.00 52.55 54.76 1k8o s ASP 67 Cb 0.09 -2.58 -0.03 0.00 1.07 0.00 0.00 42.92 41.47 1k8o s ASP 67 CO 0.79 -1.07 -0.07 -0.63 1.18 0.00 0.00 175.17 175.37 1k8o s ILE 68 N -1.82 3.64 -0.02 0.77 -1.09 -1.26 -2.51 121.20 118.91 1k8o s ILE 68 Ca 0.71 -0.49 -0.02 0.00 -2.23 0.00 0.00 60.65 58.62 1k8o s ILE 68 Cb -0.22 -2.51 -0.04 0.00 -1.58 0.00 0.00 42.46 38.11 1k8o s ILE 68 CO 0.25 0.56 0.15 0.00 -1.23 0.00 0.00 174.94 174.68 1k8o s ALA 69 N -0.38 3.85 0.02 9.38 0.00 0.11 -4.89 121.76 129.83 1k8o s ALA 69 Ca 0.05 -0.78 0.06 0.00 0.00 0.00 0.00 51.96 51.29 1k8o s ALA 69 Cb -0.12 -1.81 -0.02 0.00 0.00 0.00 0.00 23.12 21.17 1k8o s ALA 69 CO 0.02 0.72 -0.18 1.52 0.00 0.00 0.00 175.76 177.85 1k8o s TYR 70 N -1.26 1.57 0.37 0.00 -0.85 -1.26 -2.94 117.35 112.98 1k8o s TYR 70 Ca 0.25 -0.33 -0.28 0.00 -0.52 0.00 0.00 57.07 56.19 1k8o s TYR 70 Cb -0.12 -0.97 -0.11 0.00 0.38 0.00 0.00 41.96 41.14 1k8o s TYR 70 CO 0.16 0.03 1.48 0.08 -1.52 0.00 0.00 175.55 175.77 1k8o s VAL 71 N -0.63 2.09 0.00 -3.49 1.01 -1.22 -3.77 120.40 114.40 1k8o s VAL 71 Ca 0.06 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1k8o s VAL 71 Cb -0.08 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1k8o s VAL 71 CO 0.01 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1k8o n GLY 72 N 0.48 1.52 3.45 4.51 0.00 -1.26 -5.04 105.19 108.85 1k8o n GLY 72 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 0.61 1.04 1.61 1.02 -1.25 -5.16 119.74 117.62 1k8o s LYS 73 Ca 0.00 0.84 -0.14 0.00 0.02 0.00 0.00 55.97 56.68 1k8o s LYS 73 Cb 0.00 0.24 0.12 0.00 -0.52 0.00 0.00 37.83 37.67 1k8o s LYS 73 CO 0.00 -0.10 0.52 -2.30 -0.92 0.00 0.00 175.35 172.55 1k8o n PRO 74 N 3.22 -1.13 -0.05 -1.68 -0.02 -1.26 -4.25 135.00 129.83 1k8o n PRO 74 Ca -0.16 -0.29 -0.10 0.00 -2.02 0.00 0.00 63.50 60.93 1k8o n PRO 74 Cb 0.56 -1.95 -0.04 0.00 -0.02 0.00 0.00 33.50 32.05 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 -2.59 1.27 -4.02 2.45 0.00 0.22 -4.86 117.00 109.47 1k8o n LEU 75 Ca 0.05 0.08 -0.08 0.00 0.00 0.00 0.00 56.01 56.06 1k8o n LEU 75 Cb 0.56 -0.30 -0.10 0.00 0.00 0.00 0.00 43.42 43.58 1k8o n LEU 75 CO 0.52 0.32 -0.34 0.54 0.00 0.00 0.00 177.39 178.42 1k8o s VAL 76 N -2.18 0.16 -0.17 1.96 0.11 -1.06 -3.19 120.40 116.02 1k8o s VAL 76 Ca -0.13 -1.29 -0.01 0.00 -2.93 0.00 0.00 61.98 57.61 1k8o s VAL 76 Cb 0.05 -0.84 -0.01 0.00 -1.53 0.00 0.00 36.38 34.05 1k8o s VAL 76 CO 0.18 -0.71 -0.12 -1.81 -3.33 0.00 0.00 175.10 169.31 1k8o s ASP 77 N -2.12 3.90 0.04 3.54 1.11 -1.23 -0.62 116.67 121.29 1k8o s ASP 77 Ca -0.05 -0.42 0.02 0.00 0.18 0.00 0.00 52.55 52.27 1k8o s ASP 77 Cb -0.02 -1.62 -0.02 0.00 1.07 0.00 0.00 42.92 42.33 1k8o s ASP 77 CO -0.05 0.07 -0.07 -0.63 1.18 0.00 0.00 175.17 175.67 1k8o s ILE 78 N 0.92 0.47 -0.38 0.77 1.09 0.19 -2.30 121.20 121.97 1k8o s ILE 78 Ca -0.02 -0.99 -0.15 0.00 -1.10 0.00 0.00 60.65 58.39 1k8o s ILE 78 Cb -0.15 -0.54 0.00 0.00 -1.06 0.00 0.00 42.46 40.71 1k8o s ILE 78 CO -0.01 -0.36 0.31 -1.61 -0.10 0.00 0.00 174.94 173.18 1k8o s GLU 79 N -1.45 3.25 0.05 2.79 2.02 0.28 0.20 118.70 125.85 1k8o s GLU 79 Ca -0.10 -0.76 -0.05 0.00 0.02 0.00 0.00 54.97 54.08 1k8o s GLU 79 Cb -0.09 -3.89 -0.01 0.00 0.10 0.00 0.00 34.13 30.23 1k8o s GLU 79 CO 0.00 -0.63 0.09 0.95 0.02 0.00 0.00 175.26 175.69 1k8o s THR 80 N 1.82 0.15 0.75 3.63 -4.23 -1.26 -2.06 115.64 114.43 1k8o s THR 80 Ca 0.07 -1.22 -0.15 0.00 -1.18 0.00 0.00 61.69 59.21 1k8o s THR 80 Cb -0.18 -1.07 0.03 0.00 1.34 0.00 0.00 72.50 72.62 1k8o s THR 80 CO 0.11 -0.67 1.03 -0.62 -0.54 0.00 0.00 174.62 173.93 1k8o n GLU 81 N 0.52 0.41 -1.30 3.99 1.02 -1.26 -4.71 120.64 119.32 1k8o n GLU 81 Ca -0.17 0.20 -0.59 0.00 -0.02 0.00 0.00 57.16 56.58 1k8o n GLU 81 Cb 0.60 -2.29 -0.11 0.00 -0.02 0.00 0.00 31.44 29.62 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 -2.75 -0.13 -2.42 0.62 0.00 -1.26 -4.92 120.51 109.66 1k8o n ALA 82 Ca 0.13 0.25 -0.30 0.00 0.00 0.00 0.00 53.44 53.51 1k8o n ALA 82 Cb 0.50 -1.94 -0.13 0.00 0.00 0.00 0.00 19.45 17.87 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 5.07 2.45 0.57 0.00 1.02 -1.26 -5.01 118.68 121.51 1k8o s LEU 83 Ca 1.11 -0.51 0.35 0.00 0.02 0.00 0.00 54.13 55.10 1k8o s LEU 83 Cb -1.43 -1.42 1.69 0.00 0.02 0.00 0.00 46.19 45.05 1k8o s LEU 83 CO 0.66 0.25 2.12 0.50 0.02 0.00 0.00 176.35 179.90 1k8o h LYS 84 N 4.55 0.00 -0.50 1.70 3.64 -1.91 -3.29 116.57 120.75 1k8o h LYS 84 Ca -0.48 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.01 1k8o h LYS 84 Cb 1.15 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.88 1k8o h LYS 84 CO 0.46 0.05 -0.10 -3.47 -2.27 0.00 0.00 179.45 174.12 1k8o n ASP 85 N -3.28 -0.15 -0.04 4.20 2.03 -1.26 -0.91 116.55 117.13 1k8o n ASP 85 Ca -0.01 0.86 -0.03 0.00 0.52 0.00 0.00 54.79 56.13 1k8o n ASP 85 Cb 0.22 -0.27 -0.09 0.00 -0.72 0.00 0.00 41.12 40.26 1k8o n ASP 85 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1k8o n LEU 86 N -4.77 0.00 -0.02 -2.67 4.32 -1.25 -5.10 117.00 107.51 1k8o n LEU 86 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.08 1k8o n LEU 86 Cb 0.28 0.21 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 1k8o n LEU 86 CO -0.06 0.21 0.26 -1.84 -1.22 0.00 0.00 177.39 174.75