#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 0.73 2.90 3.17 0.00 -1.26 -5.05 105.19 105.68 1k8o n GLY 2 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.45 1.13 0.01 1.61 -0.21 -1.26 -5.14 119.66 115.35 1k8o s GLN 3 Ca 0.00 -0.17 -0.01 0.00 0.02 0.00 0.00 55.36 55.20 1k8o s GLN 3 Cb 0.00 -1.14 -0.01 0.00 1.00 0.00 0.00 33.01 32.86 1k8o s GLN 3 CO 0.00 -0.13 0.01 0.14 -2.12 0.00 0.00 175.29 173.19 1k8o s VAL 4 N 1.19 0.08 -0.22 1.09 -7.23 -1.26 -4.81 120.40 109.24 1k8o s VAL 4 Ca -0.06 -0.65 -0.14 0.00 -1.81 0.00 0.00 61.98 59.32 1k8o s VAL 4 Cb -0.14 -0.23 -0.04 0.00 0.56 0.00 0.00 36.38 36.53 1k8o s VAL 4 CO -0.02 -0.36 0.31 0.68 -0.31 0.00 0.00 175.10 175.41 1k8o s VAL 5 N -1.07 5.25 0.00 1.32 -7.23 0.51 -4.78 120.40 114.41 1k8o s VAL 5 Ca -0.12 0.52 -0.01 0.00 -1.81 0.00 0.00 61.98 60.56 1k8o s VAL 5 Cb -0.07 -3.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.18 1k8o s VAL 5 CO -0.00 0.28 0.12 -1.10 -0.31 0.00 0.00 175.10 174.08 1k8o s GLN 6 N 1.26 3.19 -0.17 4.82 -0.21 -1.26 0.17 119.66 127.45 1k8o s GLN 6 Ca 0.15 -0.44 -0.11 0.00 0.02 0.00 0.00 55.36 54.97 1k8o s GLN 6 Cb -0.14 -2.94 -0.05 0.00 1.00 0.00 0.00 33.01 30.88 1k8o s GLN 6 CO 0.07 0.65 0.20 0.12 -2.12 0.00 0.00 175.29 174.21 1k8o s PHE 7 N -1.26 3.45 -0.04 0.91 5.36 0.53 -4.95 117.98 121.98 1k8o s PHE 7 Ca 0.25 0.47 0.06 0.00 -0.96 0.00 0.00 56.93 56.75 1k8o s PHE 7 Cb -0.12 -2.22 -0.01 0.00 -0.34 0.00 0.00 43.02 40.33 1k8o s PHE 7 CO 0.16 0.32 -0.23 0.21 -1.46 0.00 0.00 175.22 174.22 1k8o s LYS 8 N 0.25 2.21 -0.35 10.12 2.20 -1.26 -1.25 119.74 131.67 1k8o s LYS 8 Ca 0.12 -0.83 -0.39 0.00 -0.36 0.00 0.00 55.97 54.51 1k8o s LYS 8 Cb -0.12 -1.95 -0.15 0.00 -1.51 0.00 0.00 37.83 34.10 1k8o s LYS 8 CO 0.01 0.39 1.96 -0.11 -0.36 0.00 0.00 175.35 177.24 1k8o n LEU 9 N 2.86 2.01 -3.67 5.43 -0.00 -1.26 -4.91 117.00 117.46 1k8o n LEU 9 Ca -0.17 0.78 -0.30 0.00 -0.00 0.00 0.00 56.01 56.33 1k8o n LEU 9 Cb 0.52 -1.14 -0.15 0.00 -0.00 0.00 0.00 43.42 42.66 1k8o n LEU 9 CO 0.25 -0.60 -0.33 -0.94 -0.00 0.00 0.00 177.39 175.78 1k8o s SER 10 N 5.25 3.83 0.00 1.96 1.04 -1.26 -3.80 113.70 120.72 1k8o s SER 10 Ca 1.06 -1.61 0.00 0.00 0.48 0.00 0.00 55.95 55.88 1k8o s SER 10 Cb -1.08 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 64.34 1k8o s SER 10 CO 0.60 -0.41 0.00 -0.90 0.98 0.00 0.00 173.24 173.51 1k8o n ASP 11 N 4.87 0.00 -4.70 7.02 5.75 -1.26 -5.05 116.55 123.18 1k8o n ASP 11 Ca -0.02 0.00 -0.26 0.00 -0.01 0.00 0.00 54.79 54.50 1k8o n ASP 11 Cb 0.41 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.42 1k8o n ASP 11 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1k8o s ILE 12 N -1.00 2.22 0.66 2.12 -0.00 -1.26 -5.10 121.20 118.83 1k8o s ILE 12 Ca 0.00 -1.80 -0.04 0.00 -0.00 0.00 0.00 60.65 58.81 1k8o s ILE 12 Cb 0.00 -2.99 0.06 0.00 -0.00 0.00 0.00 42.46 39.53 1k8o s ILE 12 CO 0.00 -0.01 0.94 -0.83 -0.00 0.00 0.00 174.94 175.05 1k8o s GLY 13 N -3.84 1.75 -0.92 6.27 0.00 -1.26 -4.62 107.32 104.69 1k8o s GLY 13 Ca 0.39 -1.15 -0.22 0.00 0.00 0.00 0.00 44.72 43.74 1k8o s GLY 13 CO 0.21 -0.75 1.27 -0.54 0.00 0.00 0.00 173.10 173.29 1k8o s GLU 14 N -5.10 3.50 0.00 2.90 2.02 -1.26 -3.67 118.70 117.09 1k8o s GLU 14 Ca 0.60 -1.21 0.00 0.00 0.02 0.00 0.00 54.97 54.38 1k8o s GLU 14 Cb -0.10 -4.97 0.00 0.00 0.10 0.00 0.00 34.13 29.16 1k8o s GLU 14 CO 0.43 -2.02 0.00 0.41 0.02 0.00 0.00 175.26 174.10 1k8o n GLY 15 N 6.10 2.42 0.10 -1.39 0.00 -1.26 -5.14 105.19 106.01 1k8o n GLY 15 Ca 0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.60 -0.61 -5.35 -1.24 -5.02 119.36 105.54 1k8o n ILE 16 Ca 0.00 -0.03 -0.35 0.00 -0.27 0.00 0.00 62.75 62.10 1k8o n ILE 16 Cb 0.00 -1.83 0.08 0.00 -1.74 0.00 0.00 39.64 36.14 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 -2.92 2.35 0.50 6.28 1.81 -1.26 -4.96 118.95 120.76 1k8o s ARG 17 Ca 0.02 1.89 0.08 0.00 -1.72 0.00 0.00 55.73 55.99 1k8o s ARG 17 Cb -0.00 -1.84 0.05 0.00 -0.45 0.00 0.00 34.95 32.70 1k8o s ARG 17 CO 0.01 -1.70 0.68 -1.21 -0.68 0.00 0.00 175.30 172.40 1k8o s GLU 18 N -3.65 2.57 0.09 3.54 8.01 -1.26 -4.82 118.70 123.18 1k8o s GLU 18 Ca 0.78 -1.36 0.09 0.00 0.01 0.00 0.00 54.97 54.49 1k8o s GLU 18 Cb -0.32 -2.68 -0.04 0.00 -4.31 0.00 0.00 34.13 26.77 1k8o s GLU 18 CO 0.42 -0.57 -0.20 0.54 0.01 0.00 0.00 175.26 175.46 1k8o s VAL 19 N -2.53 2.68 0.25 2.63 0.11 -1.13 -4.91 120.40 117.51 1k8o s VAL 19 Ca 0.58 -1.45 0.03 0.00 -2.93 0.00 0.00 61.98 58.22 1k8o s VAL 19 Cb -0.08 -2.18 -0.03 0.00 -1.53 0.00 0.00 36.38 32.56 1k8o s VAL 19 CO 0.36 0.18 0.39 -0.89 -3.33 0.00 0.00 175.10 171.82 1k8o s THR 20 N -1.04 5.23 -0.14 5.04 2.01 -1.26 -0.01 115.64 125.47 1k8o s THR 20 Ca 0.16 -0.81 -0.29 0.00 0.31 0.00 0.00 61.69 61.06 1k8o s THR 20 Cb -0.10 -3.84 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 1k8o s THR 20 CO 0.07 -0.34 1.04 -0.69 -0.69 0.00 0.00 174.62 174.01 1k8o s VAL 21 N -2.02 4.70 -0.10 3.82 1.01 -1.07 -3.84 120.40 122.91 1k8o s VAL 21 Ca 0.36 1.99 0.15 0.00 0.00 0.00 0.00 61.98 64.48 1k8o s VAL 21 Cb -0.09 -4.28 -0.23 0.00 0.00 0.00 0.00 36.38 31.77 1k8o s VAL 21 CO 0.30 -0.05 0.47 0.29 0.00 0.00 0.00 175.10 176.12 1k8o n LYS 22 N 5.43 0.65 -3.66 2.72 4.76 0.41 -4.13 118.16 124.34 1k8o n LYS 22 Ca 0.10 0.19 -0.21 0.00 -2.87 0.00 0.00 58.31 55.52 1k8o n LYS 22 Cb 0.48 -1.70 -0.18 0.00 -1.84 0.00 0.00 35.03 31.79 1k8o n LYS 22 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1k8o s GLU 23 N -2.59 -0.06 -0.17 1.97 -6.30 -0.22 -5.01 118.70 106.33 1k8o s GLU 23 Ca -0.06 0.33 -0.00 0.00 -2.50 0.00 0.00 54.97 52.73 1k8o s GLU 23 Cb 0.07 -0.68 0.00 0.00 0.00 0.00 0.00 34.13 33.53 1k8o s GLU 23 CO 0.83 -0.38 -0.14 -1.58 0.02 0.00 0.00 175.26 174.01 1k8o s TRP 24 N 2.17 2.81 -0.10 5.30 0.23 -1.26 -0.92 118.94 127.17 1k8o s TRP 24 Ca 0.05 -1.11 0.19 0.00 -2.03 0.00 0.00 56.10 53.19 1k8o s TRP 24 Cb -0.13 -1.93 0.42 0.00 0.03 0.00 0.00 33.47 31.87 1k8o s TRP 24 CO -0.04 -0.53 1.19 0.66 0.96 0.00 0.00 176.95 179.19 1k8o n TYR 25 N 4.25 0.00 -3.84 -1.98 4.01 -1.10 -5.08 117.16 113.43 1k8o n TYR 25 Ca -0.19 -0.99 -0.09 0.00 -0.16 0.00 0.00 57.90 56.47 1k8o n TYR 25 Cb 0.51 -0.20 -0.04 0.00 -0.31 0.00 0.00 39.34 39.30 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 -1.59 0.02 0.14 -0.72 -7.23 -1.26 -4.74 120.40 105.02 1k8o s VAL 26 Ca 0.36 -1.02 -0.07 0.00 -1.81 0.00 0.00 61.98 59.44 1k8o s VAL 26 Cb 0.38 -1.81 -0.02 0.00 0.56 0.00 0.00 36.38 35.49 1k8o s VAL 26 CO -0.12 -0.09 0.20 -0.54 -0.31 0.00 0.00 175.10 174.24 1k8o s LYS 27 N -3.92 1.03 0.28 4.82 3.01 -1.26 -5.05 119.74 118.65 1k8o s LYS 27 Ca 0.13 -1.21 -0.30 0.00 -1.01 0.00 0.00 55.97 53.59 1k8o s LYS 27 Cb -0.01 0.33 -0.13 0.00 -1.01 0.00 0.00 37.83 37.01 1k8o s LYS 27 CO 0.02 -0.35 1.37 0.39 0.51 0.00 0.00 175.35 177.29 1k8o n GLU 28 N -0.15 2.11 -0.87 1.68 4.71 -1.26 -0.81 120.64 126.05 1k8o n GLU 28 Ca -0.08 0.75 0.00 0.00 -0.01 0.00 0.00 57.16 57.81 1k8o n GLU 28 Cb 0.63 -2.38 0.00 0.00 -1.01 0.00 0.00 31.44 28.68 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 1.60 0.45 3.91 0.62 0.00 0.44 -4.85 105.19 107.37 1k8o n GLY 29 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.34 6.43 0.01 1.61 -1.08 0.56 -4.79 116.67 117.06 1k8o s ASP 30 Ca 0.00 0.53 -0.01 0.00 -0.52 0.00 0.00 52.55 52.55 1k8o s ASP 30 Cb 0.00 -2.07 -0.04 0.00 -1.46 0.00 0.00 42.92 39.36 1k8o s ASP 30 CO 0.00 -0.06 0.14 -0.89 0.52 0.00 0.00 175.17 174.88 1k8o s THR 31 N -1.88 5.12 0.29 1.71 2.01 -1.26 0.16 115.64 121.79 1k8o s THR 31 Ca 0.41 -0.33 0.07 0.00 0.31 0.00 0.00 61.69 62.15 1k8o s THR 31 Cb -0.11 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 1k8o s THR 31 CO 0.28 0.29 0.22 0.68 -0.69 0.00 0.00 174.62 175.40 1k8o s VAL 32 N -1.32 3.98 0.41 3.82 -7.23 0.40 -4.91 120.40 115.55 1k8o s VAL 32 Ca 0.27 -1.43 0.04 0.00 -1.81 0.00 0.00 61.98 59.05 1k8o s VAL 32 Cb -0.12 -3.27 -0.02 0.00 0.56 0.00 0.00 36.38 33.52 1k8o s VAL 32 CO 0.19 -0.28 0.12 -0.55 -0.31 0.00 0.00 175.10 174.27 1k8o s SER 33 N -3.89 2.88 0.55 4.85 0.15 -1.24 -1.88 113.70 115.11 1k8o s SER 33 Ca 0.36 -1.67 0.33 0.00 0.70 0.00 0.00 55.95 55.67 1k8o s SER 33 Cb -0.07 0.50 1.53 0.00 -1.71 0.00 0.00 66.02 66.27 1k8o s SER 33 CO 0.25 -0.93 2.06 1.56 1.20 0.00 0.00 173.24 177.38 1k8o h GLN 34 N 1.76 0.00 0.00 5.44 4.20 -1.89 -2.83 115.11 121.79 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 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1k8o h GLN 34 CO 0.58 0.06 -1.62 1.19 -0.67 0.00 0.00 178.83 178.37 1k8o n PHE 35 N -3.27 0.00 -3.23 2.96 3.72 -1.26 -4.05 117.46 112.33 1k8o n PHE 35 Ca -0.01 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.95 1k8o n PHE 35 Cb 0.26 -0.33 -0.06 0.00 -0.94 0.00 0.00 39.48 38.41 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 -3.75 6.19 0.78 4.37 1.11 -1.07 -5.03 116.67 119.27 1k8o s ASP 36 Ca -0.04 -1.25 -0.11 0.00 0.18 0.00 0.00 52.55 51.33 1k8o s ASP 36 Cb 0.11 -2.25 0.06 0.00 1.07 0.00 0.00 42.92 41.91 1k8o s ASP 36 CO 0.71 -0.87 1.10 -0.44 1.18 0.00 0.00 175.17 176.85 1k8o s SER 37 N 2.98 4.38 0.00 0.27 0.01 -1.26 -3.62 113.70 116.46 1k8o s SER 37 Ca 0.10 1.87 0.00 0.00 1.31 0.00 0.00 55.95 59.23 1k8o s SER 37 Cb -0.23 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.47 1k8o s SER 37 CO 0.08 -2.12 0.00 -0.38 0.41 0.00 0.00 173.24 171.23 1k8o n ILE 38 N -3.52 0.00 -4.73 1.44 5.41 -1.01 -4.04 119.36 112.90 1k8o n ILE 38 Ca 0.09 0.10 -0.28 0.00 1.00 0.00 0.00 62.75 63.66 1k8o n ILE 38 Cb 0.53 -0.72 -0.14 0.00 -0.71 0.00 0.00 39.64 38.59 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 -1.33 -0.04 0.08 0.00 2.02 -0.09 -1.35 118.70 117.98 1k8o s GLU 40 Ca 0.10 0.26 0.07 0.00 0.02 0.00 0.00 54.97 55.43 1k8o s GLU 40 Cb -0.10 -0.32 -0.03 0.00 0.10 0.00 0.00 34.13 33.78 1k8o s GLU 40 CO 0.02 -0.22 -0.19 0.14 0.02 0.00 0.00 175.26 175.04 1k8o s VAL 41 N 1.43 1.54 -0.10 2.63 -7.23 0.23 0.16 120.40 119.05 1k8o s VAL 41 Ca -0.05 -1.36 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 1k8o s VAL 41 Cb -0.13 -1.39 0.02 0.00 0.56 0.00 0.00 36.38 35.44 1k8o s VAL 41 CO -0.03 -0.02 -0.09 -1.10 -0.31 0.00 0.00 175.10 173.55 1k8o s GLN 42 N -1.63 1.57 0.09 4.82 -0.21 -1.25 0.13 119.66 123.19 1k8o s GLN 42 Ca 0.05 -0.30 0.05 0.00 0.02 0.00 0.00 55.36 55.18 1k8o s GLN 42 Cb -0.09 -1.55 -0.04 0.00 1.00 0.00 0.00 33.01 32.33 1k8o s GLN 42 CO 0.03 -0.20 0.01 0.45 -2.12 0.00 0.00 175.29 173.46 1k8o s SER 43 N 1.45 5.08 0.55 5.90 0.15 0.83 -4.77 113.70 122.88 1k8o s SER 43 Ca 0.00 -0.17 0.31 0.00 0.70 0.00 0.00 55.95 56.80 1k8o s SER 43 Cb -0.13 -1.22 1.48 0.00 -1.71 0.00 0.00 66.02 64.43 1k8o s SER 43 CO -0.05 0.17 1.88 -2.24 1.20 0.00 0.00 173.24 174.19 1k8o h ASP 44 N 3.38 0.00 0.00 5.45 2.03 -2.00 -1.89 116.42 123.38 1k8o h ASP 44 Ca -0.48 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.81 1k8o h ASP 44 Cb 1.17 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.66 1k8o h ASP 44 CO 0.60 0.00 -0.09 0.11 -1.03 0.00 0.00 179.24 178.83 1k8o h LYS 45 N 0.00 0.00 -3.74 4.15 1.57 -2.03 -3.49 116.57 113.04 1k8o h LYS 45 Ca 0.40 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.10 1k8o h LYS 45 Cb 1.68 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.86 1k8o h LYS 45 CO -0.00 0.50 -0.32 0.00 -0.57 0.00 0.00 179.45 179.06 1k8o s ALA 46 N -2.40 -0.34 -0.14 3.86 0.00 -0.71 -5.16 121.76 116.87 1k8o s ALA 46 Ca -0.11 -0.53 -0.07 0.00 0.00 0.00 0.00 51.96 51.26 1k8o s ALA 46 Cb -0.01 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.60 1k8o s ALA 46 CO 0.35 -0.54 0.09 -1.12 0.00 0.00 0.00 175.76 174.55 1k8o s SER 47 N -2.85 5.93 -0.09 0.00 0.01 -1.26 -0.12 113.70 115.31 1k8o s SER 47 Ca 0.05 0.26 0.02 0.00 1.31 0.00 0.00 55.95 57.59 1k8o s SER 47 Cb 0.04 -1.93 -0.02 0.00 0.21 0.00 0.00 66.02 64.32 1k8o s SER 47 CO -0.11 0.30 -0.14 -0.69 0.41 0.00 0.00 173.24 173.02 1k8o s VAL 48 N -0.41 3.05 -0.05 3.43 1.01 0.35 -4.94 120.40 122.85 1k8o s VAL 48 Ca 0.10 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1k8o s VAL 48 Cb -0.12 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.05 1k8o s VAL 48 CO 0.02 0.56 -0.02 0.42 0.00 0.00 0.00 175.10 176.07 1k8o s THR 49 N -0.16 0.40 -0.46 3.92 -4.23 -1.26 -0.60 115.64 113.25 1k8o s THR 49 Ca -0.01 0.01 -0.16 0.00 -1.18 0.00 0.00 61.69 60.36 1k8o s THR 49 Cb -0.13 -0.49 0.06 0.00 1.34 0.00 0.00 72.50 73.28 1k8o s THR 49 CO 0.03 0.22 0.39 -0.63 -0.54 0.00 0.00 174.62 174.10 1k8o s ILE 50 N 1.32 5.22 0.77 2.99 -1.09 -0.46 -5.02 121.20 124.94 1k8o s ILE 50 Ca -0.05 -0.97 -0.09 0.00 -2.23 0.00 0.00 60.65 57.31 1k8o s ILE 50 Cb -0.13 -4.10 0.17 0.00 -1.58 0.00 0.00 42.46 36.81 1k8o s ILE 50 CO -0.02 -0.55 1.06 0.35 -1.23 0.00 0.00 174.94 174.55 1k8o n THR 51 N 5.22 0.00 -0.00 2.92 -2.24 -1.26 -2.41 114.28 116.50 1k8o n THR 51 Ca -0.12 -1.07 -0.03 0.00 -2.27 0.00 0.00 64.05 60.56 1k8o n THR 51 Cb 0.44 -1.32 -0.01 0.00 -2.10 0.00 0.00 70.33 67.34 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 -3.42 1.10 0.00 3.42 7.64 -1.26 -4.65 113.62 116.44 1k8o n SER 52 Ca 0.15 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1k8o n SER 52 Cb 0.51 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 -3.55 -0.13 -3.70 1.43 1.85 -1.26 -4.89 116.66 106.41 1k8o n ARG 53 Ca -0.04 0.03 0.01 0.00 -1.00 0.00 0.00 57.85 56.86 1k8o n ARG 53 Cb 0.15 -3.14 -0.00 0.00 -1.05 0.00 0.00 32.46 28.42 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 -2.85 -0.03 -0.24 2.89 2.02 -1.26 -4.87 117.35 113.01 1k8o s TYR 54 Ca 0.00 -0.10 -0.13 0.00 -0.37 0.00 0.00 57.07 56.48 1k8o s TYR 54 Cb 0.00 0.56 -0.04 0.00 -0.40 0.00 0.00 41.96 42.07 1k8o s TYR 54 CO 0.00 -0.32 0.26 0.16 -1.57 0.00 0.00 175.55 174.08 1k8o s ASP 55 N -3.15 6.20 0.24 2.29 1.47 -1.26 -3.43 116.67 119.03 1k8o s ASP 55 Ca 0.17 0.22 0.04 0.00 1.18 0.00 0.00 52.55 54.17 1k8o s ASP 55 Cb 0.03 -2.16 -0.05 0.00 -0.34 0.00 0.00 42.92 40.40 1k8o s ASP 55 CO -0.03 -0.04 -0.02 -0.83 0.68 0.00 0.00 175.17 174.94 1k8o s GLY 56 N 1.28 1.61 -0.24 2.12 0.00 -0.79 -4.79 107.32 106.52 1k8o s GLY 56 Ca 0.12 -1.79 -0.07 0.00 0.00 0.00 0.00 44.72 42.98 1k8o s GLY 56 CO 0.07 -1.71 0.06 0.14 0.00 0.00 0.00 173.10 171.66 1k8o s VAL 57 N -3.32 4.27 -0.20 1.40 1.01 -0.90 0.15 120.40 122.81 1k8o s VAL 57 Ca 0.28 -0.19 -0.11 0.00 0.00 0.00 0.00 61.98 61.96 1k8o s VAL 57 Cb 0.05 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 1k8o s VAL 57 CO 0.09 0.36 0.18 -0.63 0.00 0.00 0.00 175.10 175.11 1k8o s ILE 58 N 1.41 5.37 -0.18 2.22 1.01 0.42 -0.88 121.20 130.57 1k8o s ILE 58 Ca 0.05 0.28 0.17 0.00 0.00 0.00 0.00 60.65 61.15 1k8o s ILE 58 Cb -0.15 -3.52 -0.25 0.00 0.01 0.00 0.00 42.46 38.56 1k8o s ILE 58 CO 0.03 0.40 0.13 1.17 0.00 0.00 0.00 174.94 176.67 1k8o n LYS 59 N 3.76 0.68 -3.56 2.79 4.81 -1.00 0.17 118.16 125.81 1k8o n LYS 59 Ca -0.15 0.03 -0.15 0.00 -0.87 0.00 0.00 58.31 57.17 1k8o n LYS 59 Cb 0.52 -1.55 -0.06 0.00 0.02 0.00 0.00 35.03 33.96 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 -2.50 0.90 -0.04 1.64 0.00 -1.26 -2.03 119.74 116.44 1k8o s LYS 60 Ca -0.10 0.40 -0.00 0.00 0.00 0.00 0.00 55.97 56.27 1k8o s LYS 60 Cb 0.06 0.43 0.03 0.00 0.00 0.00 0.00 37.83 38.35 1k8o s LYS 60 CO 0.83 -0.24 0.01 -0.51 0.00 0.00 0.00 175.35 175.43 1k8o s LEU 61 N -0.79 0.86 -0.25 2.77 1.02 -1.26 -3.74 118.68 117.28 1k8o s LEU 61 Ca -0.06 -0.02 -0.08 0.00 0.02 0.00 0.00 54.13 53.98 1k8o s LEU 61 Cb -0.01 -0.27 -0.16 0.00 0.02 0.00 0.00 46.19 45.77 1k8o s LEU 61 CO 0.06 -0.15 -0.18 0.00 0.02 0.00 0.00 176.35 176.10 1k8o n TYR 62 N 4.57 0.24 -3.38 0.29 4.19 -1.26 -4.89 117.16 116.93 1k8o n TYR 62 Ca -0.18 0.08 -0.38 0.00 3.31 0.00 0.00 57.90 60.73 1k8o n TYR 62 Cb 0.50 -1.03 -0.06 0.00 0.49 0.00 0.00 39.34 39.24 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 -2.50 3.59 0.00 2.98 2.02 -1.26 -5.02 117.35 117.16 1k8o s TYR 63 Ca -0.35 0.92 0.00 0.00 -0.37 0.00 0.00 57.07 57.27 1k8o s TYR 63 Cb 0.11 -2.46 0.00 0.00 -0.40 0.00 0.00 41.96 39.21 1k8o s TYR 63 CO 0.57 0.33 0.00 0.09 -1.57 0.00 0.00 175.55 174.97 1k8o n ASN 64 N 3.04 0.49 0.27 2.29 4.13 -1.26 -4.89 115.26 119.33 1k8o n ASN 64 Ca -0.09 -0.83 0.18 0.00 1.68 0.00 0.00 54.58 55.52 1k8o n ASN 64 Cb 0.52 0.00 0.90 0.00 -1.54 0.00 0.00 39.78 39.66 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 -1.61 115.31 118.53 1k8o h LEU 65 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 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 -2.22 0.47 0.09 0.00 0.00 178.44 176.78 1k8o n ASP 66 N -3.32 0.08 -4.78 -0.43 9.92 -1.26 -3.76 116.55 113.00 1k8o n ASP 66 Ca -0.00 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 53.91 1k8o n ASP 66 Cb 0.32 1.37 -0.01 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 -5.08 5.99 -0.13 -2.24 1.11 -0.60 -4.82 116.67 110.90 1k8o s ASP 67 Ca -0.09 2.11 -0.03 0.00 0.18 0.00 0.00 52.55 54.73 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 0.85 -1.03 -0.04 -0.63 1.18 0.00 0.00 175.17 175.50 1k8o s ILE 68 N -1.80 3.89 0.11 0.77 -1.09 -1.26 -2.61 121.20 119.20 1k8o s ILE 68 Ca 0.70 -0.37 0.01 0.00 -2.23 0.00 0.00 60.65 58.76 1k8o s ILE 68 Cb -0.22 -2.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.94 1k8o s ILE 68 CO 0.26 0.52 0.24 0.00 -1.23 0.00 0.00 174.94 174.73 1k8o s ALA 69 N 0.02 3.97 -0.01 9.38 0.00 0.99 -4.87 121.76 131.26 1k8o s ALA 69 Ca 0.00 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 51.10 1k8o s ALA 69 Cb -0.13 -1.79 -0.02 0.00 0.00 0.00 0.00 23.12 21.17 1k8o s ALA 69 CO 0.03 0.68 -0.25 0.71 0.00 0.00 0.00 175.76 176.92 1k8o s TYR 70 N -1.63 2.27 0.26 0.00 1.51 -1.26 -2.81 117.35 115.69 1k8o s TYR 70 Ca 0.35 -0.42 -0.29 0.00 -1.01 0.00 0.00 57.07 55.69 1k8o s TYR 70 Cb -0.12 -1.44 -0.09 0.00 -0.11 0.00 0.00 41.96 40.20 1k8o s TYR 70 CO 0.28 -0.01 1.17 0.54 -1.11 0.00 0.00 175.55 176.42 1k8o s VAL 71 N -0.64 3.37 0.00 0.71 0.11 -1.25 -3.96 120.40 118.74 1k8o s VAL 71 Ca 0.10 1.30 0.00 0.00 -2.93 0.00 0.00 61.98 60.45 1k8o s VAL 71 Cb -0.10 -3.83 0.00 0.00 -1.53 0.00 0.00 36.38 30.93 1k8o s VAL 71 CO -0.00 0.28 0.00 0.61 -3.33 0.00 0.00 175.10 172.65 1k8o n GLY 72 N 1.45 1.20 3.44 6.54 0.00 -1.26 -4.67 105.19 111.90 1k8o n GLY 72 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1k8o n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k8o s LYS 73 N 0.00 0.53 0.75 1.61 0.00 -1.25 -5.14 119.74 116.24 1k8o s LYS 73 Ca 0.00 1.01 -0.15 0.00 0.00 0.00 0.00 55.97 56.83 1k8o s LYS 73 Cb 0.00 0.09 0.02 0.00 0.00 0.00 0.00 37.83 37.94 1k8o s LYS 73 CO 0.00 -0.16 0.95 -2.30 0.00 0.00 0.00 175.35 173.84 1k8o n PRO 74 N 4.37 0.38 0.00 1.78 -0.02 -1.26 -4.38 135.00 135.87 1k8o n PRO 74 Ca -0.21 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1k8o n PRO 74 Cb 0.56 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 -1.89 0.49 -4.02 2.45 -0.00 -0.38 -4.95 117.00 108.70 1k8o n LEU 75 Ca 0.13 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.99 1k8o n LEU 75 Cb 0.50 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.79 1k8o n LEU 75 CO 0.49 0.08 -0.40 0.54 -0.00 0.00 0.00 177.39 178.10 1k8o s VAL 76 N -1.93 0.47 -0.15 1.47 0.11 -1.11 -4.02 120.40 115.25 1k8o s VAL 76 Ca 0.00 -0.72 -0.02 0.00 -2.93 0.00 0.00 61.98 58.32 1k8o s VAL 76 Cb 0.00 -0.49 -0.02 0.00 -1.53 0.00 0.00 36.38 34.34 1k8o s VAL 76 CO 0.00 -0.18 -0.09 -1.81 -3.33 0.00 0.00 175.10 169.69 1k8o s ASP 77 N -0.97 4.27 0.02 3.54 1.01 -1.25 -0.35 116.67 122.95 1k8o s ASP 77 Ca -0.05 -0.29 0.00 0.00 0.71 0.00 0.00 52.55 52.92 1k8o s ASP 77 Cb -0.07 -1.68 -0.02 0.00 1.01 0.00 0.00 42.92 42.17 1k8o s ASP 77 CO 0.00 0.13 -0.03 -0.63 0.21 0.00 0.00 175.17 174.85 1k8o s ILE 78 N 0.58 0.11 -0.38 0.77 1.09 0.13 -2.37 121.20 121.13 1k8o s ILE 78 Ca -0.06 -0.72 -0.14 0.00 -1.10 0.00 0.00 60.65 58.63 1k8o s ILE 78 Cb -0.15 -0.22 0.00 0.00 -1.06 0.00 0.00 42.46 41.03 1k8o s ILE 78 CO 0.03 -0.39 0.27 -1.61 -0.10 0.00 0.00 174.94 173.15 1k8o s GLU 79 N -1.15 3.22 0.06 2.79 2.02 -0.06 0.19 118.70 125.77 1k8o s GLU 79 Ca -0.12 -0.84 -0.05 0.00 0.02 0.00 0.00 54.97 53.97 1k8o s GLU 79 Cb -0.08 -3.90 -0.02 0.00 0.10 0.00 0.00 34.13 30.24 1k8o s GLU 79 CO -0.01 -0.60 0.09 0.95 0.02 0.00 0.00 175.26 175.71 1k8o s THR 80 N 1.70 0.16 0.71 3.63 -4.23 -1.26 -2.12 115.64 114.23 1k8o s THR 80 Ca 0.05 -1.32 -0.16 0.00 -1.18 0.00 0.00 61.69 59.09 1k8o s THR 80 Cb -0.18 -1.21 0.00 0.00 1.34 0.00 0.00 72.50 72.45 1k8o s THR 80 CO 0.10 -0.73 0.97 1.21 -0.54 0.00 0.00 174.62 175.64 1k8o n GLU 81 N 0.32 0.54 -1.20 3.99 0.00 -1.26 -4.68 120.64 118.34 1k8o n GLU 81 Ca -0.16 0.24 -0.55 0.00 0.00 0.00 0.00 57.16 56.68 1k8o n GLU 81 Cb 0.60 -2.22 -0.11 0.00 0.00 0.00 0.00 31.44 29.72 1k8o n GLU 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1k8o n ALA 82 N -2.46 -0.05 -3.78 4.31 0.00 -1.26 -4.91 120.51 112.36 1k8o n ALA 82 Ca 0.13 0.22 -0.34 0.00 0.00 0.00 0.00 53.44 53.45 1k8o n ALA 82 Cb 0.49 -1.85 -0.15 0.00 0.00 0.00 0.00 19.45 17.94 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 4.94 2.40 0.64 0.00 1.43 -1.26 -4.99 118.68 121.84 1k8o s LEU 83 Ca 1.06 -0.54 0.33 0.00 -1.03 0.00 0.00 54.13 53.95 1k8o s LEU 83 Cb -1.35 -1.56 1.81 0.00 0.03 0.00 0.00 46.19 45.12 1k8o s LEU 83 CO 0.62 0.02 2.08 0.11 0.23 0.00 0.00 176.35 179.41 1k8o h LYS 84 N 7.79 0.00 -0.71 1.70 1.57 -1.91 -3.08 116.57 121.92 1k8o h LYS 84 Ca -0.41 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 58.61 1k8o h LYS 84 Cb 1.16 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.34 1k8o h LYS 84 CO 0.61 0.00 0.15 -3.47 -0.57 0.00 0.00 179.45 176.17 1k8o n ASP 85 N -3.28 0.04 -0.00 0.86 2.03 -1.26 -0.99 116.55 113.95 1k8o n ASP 85 Ca -0.00 1.20 0.01 0.00 0.52 0.00 0.00 54.79 56.52 1k8o n ASP 85 Cb 0.32 -0.49 -0.02 0.00 -0.72 0.00 0.00 41.12 40.21 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 -4.84 0.05 0.00 -2.67 4.32 -1.17 -5.11 117.00 107.58 1k8o n LEU 86 Ca 0.21 -0.19 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 1k8o n LEU 86 Cb 0.69 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.49 1k8o n LEU 86 CO -0.03 0.01 0.00 -1.84 -1.22 0.00 0.00 177.39 174.31