#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 0.45 3.42 3.03 0.00 -1.26 -5.00 105.19 105.83 1k8o n GLY 2 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.53 3.28 0.01 1.61 2.00 -1.26 -5.11 119.66 119.66 1k8o s GLN 3 Ca 0.00 -0.65 -0.02 0.00 -2.00 0.00 0.00 55.36 52.69 1k8o s GLN 3 Cb 0.00 -2.64 -0.01 0.00 0.80 0.00 0.00 33.01 31.16 1k8o s GLN 3 CO 0.00 0.30 0.02 0.14 -0.50 0.00 0.00 175.29 175.25 1k8o s VAL 4 N 0.14 0.08 -0.25 1.34 -7.23 -1.26 -4.72 120.40 108.50 1k8o s VAL 4 Ca -0.06 -0.66 -0.13 0.00 -1.81 0.00 0.00 61.98 59.32 1k8o s VAL 4 Cb -0.15 -0.25 -0.04 0.00 0.56 0.00 0.00 36.38 36.50 1k8o s VAL 4 CO 0.04 -0.36 0.30 0.68 -0.31 0.00 0.00 175.10 175.45 1k8o s VAL 5 N -1.11 5.24 -0.12 1.32 -7.23 0.22 -4.81 120.40 113.91 1k8o s VAL 5 Ca -0.12 0.44 -0.05 0.00 -1.81 0.00 0.00 61.98 60.44 1k8o s VAL 5 Cb -0.07 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.20 1k8o s VAL 5 CO -0.00 0.23 0.06 -1.10 -0.31 0.00 0.00 175.10 173.98 1k8o s GLN 6 N 1.67 3.36 -0.16 4.82 -0.21 -1.26 -1.96 119.66 125.93 1k8o s GLN 6 Ca 0.13 -0.31 -0.08 0.00 0.02 0.00 0.00 55.36 55.12 1k8o s GLN 6 Cb -0.15 -3.01 -0.04 0.00 1.00 0.00 0.00 33.01 30.80 1k8o s GLN 6 CO 0.09 0.62 0.13 0.12 -2.12 0.00 0.00 175.29 174.13 1k8o s PHE 7 N -0.63 3.49 -0.02 0.91 5.36 -0.84 -4.90 117.98 121.36 1k8o s PHE 7 Ca 0.11 0.42 0.08 0.00 -0.96 0.00 0.00 56.93 56.58 1k8o s PHE 7 Cb -0.12 -2.04 -0.02 0.00 -0.34 0.00 0.00 43.02 40.50 1k8o s PHE 7 CO 0.02 0.51 -0.24 -1.59 -1.46 0.00 0.00 175.22 172.46 1k8o s LYS 8 N -0.35 1.97 -0.04 10.12 -2.85 -1.26 0.15 119.74 127.47 1k8o s LYS 8 Ca 0.11 -0.88 -0.40 0.00 -1.00 0.00 0.00 55.97 53.80 1k8o s LYS 8 Cb -0.12 -1.91 -0.19 0.00 -2.06 0.00 0.00 37.83 33.55 1k8o s LYS 8 CO 0.01 0.52 1.20 -0.11 0.10 0.00 0.00 175.35 177.08 1k8o n LEU 9 N 2.44 0.54 -4.49 2.77 -0.00 -1.26 -4.91 117.00 112.09 1k8o n LEU 9 Ca -0.16 1.15 -0.25 0.00 -0.00 0.00 0.00 56.01 56.76 1k8o n LEU 9 Cb 0.52 -0.98 -0.08 0.00 -0.00 0.00 0.00 43.42 42.87 1k8o n LEU 9 CO 0.23 -1.57 -0.20 -0.44 -0.00 0.00 0.00 177.39 175.41 1k8o s SER 10 N 0.52 2.62 0.00 1.96 0.01 -1.26 -3.69 113.70 113.86 1k8o s SER 10 Ca 0.91 -1.65 0.00 0.00 1.31 0.00 0.00 55.95 56.53 1k8o s SER 10 Cb -1.22 0.45 0.00 0.00 0.21 0.00 0.00 66.02 65.46 1k8o s SER 10 CO 0.58 -0.91 0.00 -0.67 0.41 0.00 0.00 173.24 172.65 1k8o n ASP 11 N -1.24 0.00 -4.71 2.44 2.03 -1.26 -4.96 116.55 108.84 1k8o n ASP 11 Ca -0.05 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.91 1k8o n ASP 11 Cb 0.65 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.96 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 -1.95 4.89 0.05 5.18 1.09 -1.26 -5.09 121.20 124.10 1k8o s ILE 12 Ca 0.00 -0.01 -0.22 0.00 -1.10 0.00 0.00 60.65 59.32 1k8o s ILE 12 Cb 0.00 -3.15 -0.06 0.00 -1.06 0.00 0.00 42.46 38.19 1k8o s ILE 12 CO 0.00 0.54 0.64 -0.83 -0.10 0.00 0.00 174.94 175.19 1k8o s GLY 13 N -0.30 2.70 -0.86 6.18 0.00 -1.26 -4.60 107.32 109.19 1k8o s GLY 13 Ca 0.09 0.12 -0.22 0.00 0.00 0.00 0.00 44.72 44.70 1k8o s GLY 13 CO 0.01 0.75 2.15 -2.21 0.00 0.00 0.00 173.10 173.80 1k8o n GLU 14 N 2.32 0.27 0.00 2.90 2.13 -1.26 -1.11 120.64 125.89 1k8o n GLU 14 Ca -0.07 -1.04 0.00 0.00 0.66 0.00 0.00 57.16 56.71 1k8o n GLU 14 Cb 0.50 -3.31 0.00 0.00 0.27 0.00 0.00 31.44 28.90 1k8o n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k8o n GLY 15 N 6.22 0.61 0.00 8.31 0.00 -1.26 -5.15 105.19 113.91 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 -1.77 -0.61 -5.35 -0.27 -5.08 119.36 106.29 1k8o n ILE 16 Ca 0.00 0.00 -0.33 0.00 -0.27 0.00 0.00 62.75 62.15 1k8o n ILE 16 Cb 0.00 -1.23 0.05 0.00 -1.74 0.00 0.00 39.64 36.71 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 -0.29 2.78 0.54 6.28 3.52 -1.26 -4.91 118.95 125.61 1k8o s ARG 17 Ca 0.00 1.46 0.06 0.00 -0.13 0.00 0.00 55.73 57.12 1k8o s ARG 17 Cb 0.00 -1.94 0.06 0.00 -1.56 0.00 0.00 34.95 31.51 1k8o s ARG 17 CO 0.00 -1.28 0.75 -1.21 -0.81 0.00 0.00 175.30 172.75 1k8o s GLU 18 N -3.99 2.42 0.09 5.12 2.02 -1.26 -4.74 118.70 118.36 1k8o s GLU 18 Ca 0.68 -1.26 0.09 0.00 0.02 0.00 0.00 54.97 54.50 1k8o s GLU 18 Cb -0.22 -2.60 -0.03 0.00 0.10 0.00 0.00 34.13 31.37 1k8o s GLU 18 CO 0.40 -0.73 -0.22 0.54 0.02 0.00 0.00 175.26 175.27 1k8o s VAL 19 N -2.66 1.83 0.19 2.63 0.11 -1.13 -4.95 120.40 116.43 1k8o s VAL 19 Ca 0.59 -1.49 0.02 0.00 -2.93 0.00 0.00 61.98 58.17 1k8o s VAL 19 Cb -0.08 -1.63 -0.04 0.00 -1.53 0.00 0.00 36.38 33.11 1k8o s VAL 19 CO 0.38 0.06 0.34 -0.89 -3.33 0.00 0.00 175.10 171.65 1k8o s THR 20 N -1.04 5.27 0.04 5.04 2.01 -1.26 -0.70 115.64 125.00 1k8o s THR 20 Ca 0.08 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.11 1k8o s THR 20 Cb -0.10 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1k8o s THR 20 CO 0.04 -0.19 0.98 -0.69 -0.69 0.00 0.00 174.62 174.07 1k8o s VAL 21 N -1.85 4.73 -0.17 3.82 1.01 -1.08 -3.63 120.40 123.22 1k8o s VAL 21 Ca 0.36 2.05 0.19 0.00 0.00 0.00 0.00 61.98 64.57 1k8o s VAL 21 Cb -0.10 -4.31 -0.26 0.00 0.00 0.00 0.00 36.38 31.70 1k8o s VAL 21 CO 0.29 0.21 0.13 1.17 0.00 0.00 0.00 175.10 176.90 1k8o n LYS 22 N 3.54 0.69 -3.85 2.72 0.00 0.39 -4.03 118.16 117.62 1k8o n LYS 22 Ca 0.05 -0.04 -0.17 0.00 0.00 0.00 0.00 58.31 58.15 1k8o n LYS 22 Cb 0.50 -1.52 -0.16 0.00 0.00 0.00 0.00 35.03 33.85 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 0.16 -0.17 1.64 0.41 -0.81 -4.96 118.70 112.32 1k8o s GLU 23 Ca -0.10 0.14 -0.00 0.00 -0.41 0.00 0.00 54.97 54.60 1k8o s GLU 23 Cb 0.07 -0.41 0.04 0.00 -1.78 0.00 0.00 34.13 32.05 1k8o s GLU 23 CO 0.84 -0.17 -0.06 -1.58 -0.49 0.00 0.00 175.26 173.80 1k8o s TRP 24 N 1.15 1.82 -0.38 1.61 0.52 -1.26 -1.01 118.94 121.39 1k8o s TRP 24 Ca -0.08 -1.16 0.04 0.00 0.02 0.00 0.00 56.10 54.92 1k8o s TRP 24 Cb -0.13 -1.37 0.09 0.00 -1.15 0.00 0.00 33.47 30.90 1k8o s TRP 24 CO -0.02 -0.64 0.95 0.98 0.02 0.00 0.00 176.95 178.24 1k8o n TYR 25 N 4.84 0.11 -4.31 -1.98 4.19 -1.10 -5.04 117.16 113.88 1k8o n TYR 25 Ca -0.12 -0.35 -0.16 0.00 3.31 0.00 0.00 57.90 60.57 1k8o n TYR 25 Cb 0.48 -0.03 -0.10 0.00 0.49 0.00 0.00 39.34 40.17 1k8o n TYR 25 CO 0.00 0.00 0.00 0.14 0.91 0.00 0.00 176.86 177.91 1k8o s VAL 26 N -0.80 0.78 0.24 2.97 -7.23 -1.25 -5.00 120.40 110.11 1k8o s VAL 26 Ca 0.07 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.16 1k8o s VAL 26 Cb 0.04 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 1k8o s VAL 26 CO 0.05 -0.22 0.34 -0.54 -0.31 0.00 0.00 175.10 174.43 1k8o s LYS 27 N -3.94 1.44 0.33 4.82 1.02 -1.26 -5.06 119.74 117.09 1k8o s LYS 27 Ca 0.31 -1.44 -0.29 0.00 0.02 0.00 0.00 55.97 54.57 1k8o s LYS 27 Cb 0.07 0.39 -0.12 0.00 -0.52 0.00 0.00 37.83 37.65 1k8o s LYS 27 CO 0.10 -0.56 1.44 0.39 -0.92 0.00 0.00 175.35 175.81 1k8o n GLU 28 N -0.35 2.44 -0.88 1.68 1.02 -1.26 -0.98 120.64 122.30 1k8o n GLU 28 Ca 0.00 0.86 0.00 0.00 -0.02 0.00 0.00 57.16 58.00 1k8o n GLU 28 Cb 0.63 -2.55 0.00 0.00 -0.02 0.00 0.00 31.44 29.51 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 1.16 0.46 3.89 0.62 0.00 0.44 -4.89 105.19 106.87 1k8o n GLY 29 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 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 6.12 0.06 1.61 2.15 -0.08 -4.82 116.67 119.37 1k8o s ASP 30 Ca 0.00 0.13 0.00 0.00 0.43 0.00 0.00 52.55 53.11 1k8o s ASP 30 Cb 0.00 -1.80 -0.04 0.00 -0.30 0.00 0.00 42.92 40.78 1k8o s ASP 30 CO 0.00 0.10 0.21 -0.89 -0.17 0.00 0.00 175.17 174.42 1k8o s THR 31 N -1.64 5.37 0.38 1.71 2.01 -1.26 0.12 115.64 122.33 1k8o s THR 31 Ca 0.33 -0.41 0.08 0.00 0.31 0.00 0.00 61.69 62.00 1k8o s THR 31 Cb -0.12 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 1k8o s THR 31 CO 0.27 0.13 0.27 0.68 -0.69 0.00 0.00 174.62 175.27 1k8o s VAL 32 N -1.52 2.90 0.17 3.82 -7.23 0.37 -4.90 120.40 114.01 1k8o s VAL 32 Ca 0.35 -1.49 0.04 0.00 -1.81 0.00 0.00 61.98 59.06 1k8o s VAL 32 Cb -0.13 -3.04 -0.05 0.00 0.56 0.00 0.00 36.38 33.73 1k8o s VAL 32 CO 0.28 -0.09 -0.06 -0.44 -0.31 0.00 0.00 175.10 174.48 1k8o s SER 33 N -3.99 1.70 0.59 4.85 0.01 -1.23 -2.00 113.70 113.64 1k8o s SER 33 Ca 0.43 -1.08 0.29 0.00 1.31 0.00 0.00 55.95 56.89 1k8o s SER 33 Cb -0.03 0.01 1.69 0.00 0.21 0.00 0.00 66.02 67.91 1k8o s SER 33 CO 0.25 -0.41 2.14 0.06 0.41 0.00 0.00 173.24 175.69 1k8o h GLN 34 N 2.70 0.00 0.00 12.44 3.07 -1.73 -1.22 115.11 130.38 1k8o h GLN 34 Ca -0.37 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.35 1k8o h GLN 34 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.75 1k8o h GLN 34 CO 0.64 0.00 -1.95 1.19 0.09 0.00 0.00 178.83 178.80 1k8o n PHE 35 N -3.82 0.00 -3.06 0.06 3.72 -1.26 -3.35 117.46 109.75 1k8o n PHE 35 Ca 0.00 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.96 1k8o n PHE 35 Cb 0.27 -0.49 -0.05 0.00 -0.94 0.00 0.00 39.48 38.27 1k8o n PHE 35 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1k8o s ASP 36 N -4.40 6.19 0.62 4.37 2.15 -0.46 -5.00 116.67 120.14 1k8o s ASP 36 Ca -0.08 -1.27 -0.18 0.00 0.43 0.00 0.00 52.55 51.45 1k8o s ASP 36 Cb 0.13 -2.33 -0.02 0.00 -0.30 0.00 0.00 42.92 40.40 1k8o s ASP 36 CO 0.84 -1.16 1.21 -0.44 -0.17 0.00 0.00 175.17 175.45 1k8o s SER 37 N 3.53 4.98 0.00 -0.34 0.01 -1.26 -3.47 113.70 117.16 1k8o s SER 37 Ca 0.14 2.39 0.00 0.00 1.31 0.00 0.00 55.95 59.80 1k8o s SER 37 Cb -0.22 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.41 1k8o s SER 37 CO 0.08 -1.73 0.15 -0.38 0.41 0.00 0.00 173.24 171.76 1k8o n ILE 38 N -1.82 0.00 -4.13 1.44 5.41 -0.89 -4.25 119.36 115.12 1k8o n ILE 38 Ca 0.14 0.60 -0.11 0.00 1.00 0.00 0.00 62.75 64.37 1k8o n ILE 38 Cb 0.50 -1.49 -0.10 0.00 -0.71 0.00 0.00 39.64 37.83 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 -3.14 0.07 -0.03 0.00 2.12 -0.18 -1.94 118.70 115.61 1k8o s GLU 40 Ca 0.04 0.23 0.04 0.00 0.36 0.00 0.00 54.97 55.64 1k8o s GLU 40 Cb 0.01 -0.45 -0.03 0.00 0.26 0.00 0.00 34.13 33.92 1k8o s GLU 40 CO -0.04 -0.23 -0.13 0.14 -0.54 0.00 0.00 175.26 174.46 1k8o s VAL 41 N 1.53 3.13 -0.10 3.70 -7.23 -0.54 0.15 120.40 121.04 1k8o s VAL 41 Ca -0.03 -0.80 -0.01 0.00 -1.81 0.00 0.00 61.98 59.33 1k8o s VAL 41 Cb -0.13 -2.27 0.03 0.00 0.56 0.00 0.00 36.38 34.58 1k8o s VAL 41 CO -0.03 0.52 -0.02 -1.10 -0.31 0.00 0.00 175.10 174.16 1k8o s GLN 42 N -0.96 0.87 0.06 4.82 -0.21 -1.24 -0.63 119.66 122.37 1k8o s GLN 42 Ca 0.13 -0.06 0.03 0.00 0.02 0.00 0.00 55.36 55.48 1k8o s GLN 42 Cb -0.11 -1.28 -0.04 0.00 1.00 0.00 0.00 33.01 32.59 1k8o s GLN 42 CO 0.02 -0.33 0.04 -1.54 -2.12 0.00 0.00 175.29 171.37 1k8o s SER 43 N 1.88 5.34 0.56 5.90 1.04 0.19 -4.72 113.70 123.89 1k8o s SER 43 Ca 0.04 -0.04 0.36 0.00 0.48 0.00 0.00 55.95 56.80 1k8o s SER 43 Cb -0.13 -1.40 1.48 0.00 0.10 0.00 0.00 66.02 66.08 1k8o s SER 43 CO -0.06 0.20 1.72 -0.78 0.98 0.00 0.00 173.24 175.30 1k8o h ASP 44 N 3.61 0.00 0.00 7.02 3.58 -2.00 0.62 116.42 129.26 1k8o h ASP 44 Ca -0.48 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 56.97 1k8o h ASP 44 Cb 1.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.22 1k8o h ASP 44 CO 0.62 0.00 -0.00 0.07 -2.88 0.00 0.00 179.24 177.05 1k8o h LYS 45 N 0.00 -0.00 -3.71 0.28 2.10 -2.03 -3.48 116.57 109.72 1k8o h LYS 45 Ca 0.54 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 59.11 1k8o h LYS 45 Cb 2.37 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 33.57 1k8o h LYS 45 CO -0.01 0.89 -0.26 0.00 -2.00 0.00 0.00 179.45 178.07 1k8o s ALA 46 N -2.39 -0.34 -0.09 0.07 0.00 0.21 -5.16 121.76 114.06 1k8o s ALA 46 Ca -0.17 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1k8o s ALA 46 Cb -0.02 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.76 1k8o s ALA 46 CO 0.64 -0.61 -0.12 -1.54 0.00 0.00 0.00 175.76 174.13 1k8o s SER 47 N -2.89 4.16 -0.04 0.00 1.04 -1.26 0.54 113.70 115.26 1k8o s SER 47 Ca 0.09 -0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.32 1k8o s SER 47 Cb 0.03 -1.27 0.01 0.00 0.10 0.00 0.00 66.02 64.90 1k8o s SER 47 CO -0.07 0.26 -0.08 -0.69 0.98 0.00 0.00 173.24 173.65 1k8o s VAL 48 N -0.23 0.74 -0.09 5.02 1.01 0.20 -4.98 120.40 122.07 1k8o s VAL 48 Ca 0.01 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 61.75 1k8o s VAL 48 Cb -0.13 -0.69 -0.00 0.00 0.00 0.00 0.00 36.38 35.56 1k8o s VAL 48 CO 0.03 0.25 -0.24 0.42 0.00 0.00 0.00 175.10 175.56 1k8o s THR 49 N 0.48 2.03 -0.43 3.92 -4.23 -1.26 -1.46 115.64 114.69 1k8o s THR 49 Ca -0.08 -1.02 -0.15 0.00 -1.18 0.00 0.00 61.69 59.27 1k8o s THR 49 Cb -0.11 -1.74 0.04 0.00 1.34 0.00 0.00 72.50 72.02 1k8o s THR 49 CO 0.01 0.56 0.34 -0.63 -0.54 0.00 0.00 174.62 174.35 1k8o s ILE 50 N 0.21 5.25 0.64 2.99 -1.09 -0.82 -5.02 121.20 123.35 1k8o s ILE 50 Ca -0.15 -0.78 -0.01 0.00 -2.23 0.00 0.00 60.65 57.48 1k8o s ILE 50 Cb -0.17 -4.00 0.13 0.00 -1.58 0.00 0.00 42.46 36.84 1k8o s ILE 50 CO 0.07 -0.40 0.87 0.35 -1.23 0.00 0.00 174.94 174.60 1k8o n THR 51 N 5.18 0.00 -0.01 2.92 -2.24 -1.26 -2.10 114.28 116.77 1k8o n THR 51 Ca -0.11 -1.33 -0.01 0.00 -2.27 0.00 0.00 64.05 60.33 1k8o n THR 51 Cb 0.46 -0.99 -0.01 0.00 -2.10 0.00 0.00 70.33 67.69 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 -2.96 4.03 -0.15 3.42 7.64 -1.26 -4.70 113.62 119.65 1k8o n SER 52 Ca 0.14 -0.01 -0.02 0.00 1.01 0.00 0.00 58.87 60.00 1k8o n SER 52 Cb 0.51 0.07 -0.01 0.00 -1.01 0.00 0.00 64.21 63.77 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 -2.46 -1.51 -3.69 1.43 -4.01 -1.21 -4.86 116.66 100.35 1k8o n ARG 53 Ca -0.02 0.47 0.01 0.00 -1.04 0.00 0.00 57.85 57.27 1k8o n ARG 53 Cb 0.53 -4.65 -0.00 0.00 -3.04 0.00 0.00 32.46 25.30 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 -1.38 -0.03 -0.22 2.89 2.02 -1.26 -4.77 117.35 114.60 1k8o s TYR 54 Ca 0.00 -0.09 -0.12 0.00 -0.37 0.00 0.00 57.07 56.48 1k8o s TYR 54 Cb 0.00 0.56 -0.05 0.00 -0.40 0.00 0.00 41.96 42.07 1k8o s TYR 54 CO 0.00 -0.33 0.24 -0.51 -1.57 0.00 0.00 175.55 173.38 1k8o s ASP 55 N -3.11 6.24 0.14 2.29 1.11 -1.26 -2.12 116.67 119.96 1k8o s ASP 55 Ca 0.17 0.27 0.01 0.00 0.18 0.00 0.00 52.55 53.17 1k8o s ASP 55 Cb 0.04 -2.15 -0.04 0.00 1.07 0.00 0.00 42.92 41.83 1k8o s ASP 55 CO -0.03 0.04 0.01 -0.83 1.18 0.00 0.00 175.17 175.54 1k8o s GLY 56 N 0.95 1.04 -0.25 0.21 0.00 -0.85 -4.70 107.32 103.72 1k8o s GLY 56 Ca 0.12 -1.50 -0.10 0.00 0.00 0.00 0.00 44.72 43.24 1k8o s GLY 56 CO 0.05 -1.45 0.15 0.14 0.00 0.00 0.00 173.10 171.99 1k8o s VAL 57 N -3.82 5.10 -0.23 1.40 1.01 -0.91 0.14 120.40 123.09 1k8o s VAL 57 Ca 0.22 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 1k8o s VAL 57 Cb 0.07 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 1k8o s VAL 57 CO 0.01 0.31 0.20 -0.63 0.00 0.00 0.00 175.10 175.00 1k8o s ILE 58 N 1.40 5.33 -0.16 2.22 1.01 0.33 -1.49 121.20 129.84 1k8o s ILE 58 Ca 0.07 0.28 0.18 0.00 0.00 0.00 0.00 60.65 61.17 1k8o s ILE 58 Cb -0.15 -3.54 -0.25 0.00 0.01 0.00 0.00 42.46 38.53 1k8o s ILE 58 CO 0.07 0.34 0.24 1.17 0.00 0.00 0.00 174.94 176.75 1k8o n LYS 59 N 4.25 0.68 -3.67 2.79 4.81 -1.08 0.17 118.16 126.11 1k8o n LYS 59 Ca -0.14 0.01 -0.15 0.00 -0.87 0.00 0.00 58.31 57.16 1k8o n LYS 59 Cb 0.52 -1.57 -0.08 0.00 0.02 0.00 0.00 35.03 33.92 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 -2.67 0.80 -0.11 1.64 0.00 -1.26 -2.83 119.74 115.31 1k8o s LYS 60 Ca -0.09 0.05 -0.03 0.00 0.00 0.00 0.00 55.97 55.90 1k8o s LYS 60 Cb 0.07 0.37 0.04 0.00 0.00 0.00 0.00 37.83 38.31 1k8o s LYS 60 CO 0.84 -0.23 0.05 -0.51 0.00 0.00 0.00 175.35 175.50 1k8o s LEU 61 N -1.14 0.51 -0.20 2.77 1.43 -1.26 -4.09 118.68 116.70 1k8o s LEU 61 Ca -0.11 -0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 52.56 1k8o s LEU 61 Cb -0.03 -0.34 -0.20 0.00 0.03 0.00 0.00 46.19 45.65 1k8o s LEU 61 CO 0.06 -0.27 0.10 0.00 0.23 0.00 0.00 176.35 176.47 1k8o n TYR 62 N 5.20 0.78 -3.35 0.29 4.19 -1.26 -4.93 117.16 118.09 1k8o n TYR 62 Ca -0.06 0.25 -0.33 0.00 3.31 0.00 0.00 57.90 61.07 1k8o n TYR 62 Cb 0.49 -1.09 -0.06 0.00 0.49 0.00 0.00 39.34 39.18 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 -2.47 3.47 0.23 2.98 1.51 -1.26 -5.04 117.35 116.77 1k8o s TYR 63 Ca -0.30 0.99 0.01 0.00 -1.01 0.00 0.00 57.07 56.77 1k8o s TYR 63 Cb 0.08 -2.34 -0.00 0.00 -0.11 0.00 0.00 41.96 39.58 1k8o s TYR 63 CO 0.63 0.28 0.05 0.09 -1.11 0.00 0.00 175.55 175.49 1k8o n ASN 64 N 0.09 1.69 0.28 2.29 4.13 -1.26 -4.97 115.26 117.51 1k8o n ASN 64 Ca -0.01 -2.13 0.16 0.00 1.68 0.00 0.00 54.58 54.29 1k8o n ASN 64 Cb 0.52 0.40 0.87 0.00 -1.54 0.00 0.00 39.78 40.04 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 -2.35 115.31 118.50 1k8o h LEU 65 Ca -0.18 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.64 1k8o h LEU 65 Cb 0.64 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.35 1k8o h LEU 65 CO 0.30 0.00 -1.79 -0.67 -1.08 0.00 0.00 178.44 175.20 1k8o n ASP 66 N -2.74 1.80 -4.83 -0.43 2.03 -1.26 -4.07 116.55 107.04 1k8o n ASP 66 Ca -0.02 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.97 1k8o n ASP 66 Cb 0.19 1.16 -0.01 0.00 -0.72 0.00 0.00 41.12 41.74 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 -4.19 6.27 -0.05 1.67 1.11 -0.89 -4.83 116.67 115.76 1k8o s ASP 67 Ca -0.06 1.63 0.01 0.00 0.18 0.00 0.00 52.55 54.31 1k8o s ASP 67 Cb 0.06 -2.51 -0.03 0.00 1.07 0.00 0.00 42.92 41.51 1k8o s ASP 67 CO 0.55 -0.84 -0.05 -0.63 1.18 0.00 0.00 175.17 175.39 1k8o s ILE 68 N -2.66 3.86 0.22 0.77 -1.09 -1.26 -2.65 121.20 118.40 1k8o s ILE 68 Ca 0.60 -0.52 0.09 0.00 -2.23 0.00 0.00 60.65 58.60 1k8o s ILE 68 Cb -0.12 -2.63 -0.04 0.00 -1.58 0.00 0.00 42.46 38.09 1k8o s ILE 68 CO 0.37 0.53 -0.07 0.00 -1.23 0.00 0.00 174.94 174.53 1k8o s ALA 69 N -0.90 3.01 -0.04 9.38 0.00 0.12 -4.93 121.76 128.39 1k8o s ALA 69 Ca 0.15 -1.58 0.02 0.00 0.00 0.00 0.00 51.96 50.55 1k8o s ALA 69 Cb -0.11 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.31 1k8o s ALA 69 CO 0.04 0.37 -0.09 1.52 0.00 0.00 0.00 175.76 177.60 1k8o s TYR 70 N -2.02 1.09 0.29 0.00 1.13 -1.26 -2.84 117.35 113.74 1k8o s TYR 70 Ca 0.28 -0.33 -0.29 0.00 -1.41 0.00 0.00 57.07 55.32 1k8o s TYR 70 Cb -0.07 -0.81 -0.13 0.00 -1.10 0.00 0.00 41.96 39.84 1k8o s TYR 70 CO 0.17 -0.17 1.25 0.28 -2.51 0.00 0.00 175.55 174.57 1k8o n VAL 71 N 3.58 1.65 0.00 -3.49 0.31 -1.24 -3.81 118.33 115.33 1k8o n VAL 71 Ca -0.21 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 1k8o n VAL 71 Cb 0.53 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 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 1.32 1.07 3.44 2.92 0.00 -1.26 -4.89 105.19 107.79 1k8o n GLY 72 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 0.54 0.49 1.61 -0.14 -1.25 -5.14 119.74 115.86 1k8o s LYS 73 Ca 0.00 0.98 -0.22 0.00 -1.36 0.00 0.00 55.97 55.38 1k8o s LYS 73 Cb 0.00 0.06 -0.09 0.00 -1.68 0.00 0.00 37.83 36.13 1k8o s LYS 73 CO 0.00 -0.15 0.89 -2.30 -0.76 0.00 0.00 175.35 173.03 1k8o n PRO 74 N 4.22 1.05 -0.10 -1.68 -0.02 -1.26 -4.12 135.00 133.08 1k8o n PRO 74 Ca -0.21 0.39 -0.21 0.00 -2.02 0.00 0.00 63.50 61.45 1k8o n PRO 74 Cb 0.57 -1.99 -0.08 0.00 -0.02 0.00 0.00 33.50 31.98 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 0.19 1.85 -3.97 2.45 7.94 0.39 -4.89 117.00 120.97 1k8o n LEU 75 Ca 0.11 0.17 -0.09 0.00 -1.11 0.00 0.00 56.01 55.09 1k8o n LEU 75 Cb 0.43 -0.64 -0.11 0.00 0.53 0.00 0.00 43.42 43.63 1k8o n LEU 75 CO 0.54 0.54 -0.32 0.54 -1.11 0.00 0.00 177.39 177.57 1k8o s VAL 76 N -2.39 0.12 -0.19 1.96 0.11 -1.07 -4.16 120.40 114.79 1k8o s VAL 76 Ca -0.29 -1.01 -0.03 0.00 -2.93 0.00 0.00 61.98 57.72 1k8o s VAL 76 Cb 0.10 -0.51 -0.01 0.00 -1.53 0.00 0.00 36.38 34.43 1k8o s VAL 76 CO 0.39 -0.56 -0.05 -1.81 -3.33 0.00 0.00 175.10 169.75 1k8o s ASP 77 N -1.70 4.40 0.04 3.54 1.11 -1.26 -1.99 116.67 120.81 1k8o s ASP 77 Ca -0.12 -0.31 0.02 0.00 0.18 0.00 0.00 52.55 52.32 1k8o s ASP 77 Cb -0.07 -1.73 -0.02 0.00 1.07 0.00 0.00 42.92 42.17 1k8o s ASP 77 CO -0.02 0.05 -0.07 -0.63 1.18 0.00 0.00 175.17 175.68 1k8o s ILE 78 N 1.04 0.48 -0.33 0.77 1.09 -0.83 -2.62 121.20 120.80 1k8o s ILE 78 Ca 0.01 -0.99 -0.13 0.00 -1.10 0.00 0.00 60.65 58.43 1k8o s ILE 78 Cb -0.15 -0.55 -0.02 0.00 -1.06 0.00 0.00 42.46 40.69 1k8o s ILE 78 CO 0.00 -0.35 0.27 -1.61 -0.10 0.00 0.00 174.94 173.15 1k8o s GLU 79 N -1.45 3.56 0.05 2.79 2.02 -0.55 0.70 118.70 125.81 1k8o s GLU 79 Ca -0.10 -0.55 -0.02 0.00 0.02 0.00 0.00 54.97 54.33 1k8o s GLU 79 Cb -0.09 -3.79 -0.03 0.00 0.10 0.00 0.00 34.13 30.31 1k8o s GLU 79 CO 0.00 -0.44 -0.01 0.95 0.02 0.00 0.00 175.26 175.78 1k8o s THR 80 N 1.81 0.19 0.63 3.63 -4.23 -1.26 -2.14 115.64 114.26 1k8o s THR 80 Ca 0.08 -1.55 -0.18 0.00 -1.18 0.00 0.00 61.69 58.86 1k8o s THR 80 Cb -0.17 -1.22 -0.04 0.00 1.34 0.00 0.00 72.50 72.41 1k8o s THR 80 CO 0.11 -0.85 0.97 1.21 -0.54 0.00 0.00 174.62 175.51 1k8o n GLU 81 N 0.43 0.82 -1.28 3.99 4.07 -1.26 -4.68 120.64 122.73 1k8o n GLU 81 Ca -0.16 0.32 -0.60 0.00 -0.06 0.00 0.00 57.16 56.66 1k8o n GLU 81 Cb 0.60 -2.19 -0.12 0.00 -0.06 0.00 0.00 31.44 29.67 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 -1.91 0.13 -2.34 4.31 0.00 -1.26 -4.92 120.51 114.52 1k8o n ALA 82 Ca 0.14 0.21 -0.30 0.00 0.00 0.00 0.00 53.44 53.49 1k8o n ALA 82 Cb 0.48 -2.07 -0.15 0.00 0.00 0.00 0.00 19.45 17.71 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 5.84 2.12 0.13 0.00 1.02 -1.26 -5.03 118.68 121.49 1k8o s LEU 83 Ca 1.19 -0.54 0.15 0.00 0.02 0.00 0.00 54.13 54.96 1k8o s LEU 83 Cb -1.50 -1.28 -0.08 0.00 0.02 0.00 0.00 46.19 43.34 1k8o s LEU 83 CO 0.67 0.28 1.03 0.07 0.02 0.00 0.00 176.35 178.42 1k8o h LYS 84 N 5.08 0.00 -1.02 1.70 2.10 -1.92 -2.55 116.57 119.95 1k8o h LYS 84 Ca -0.45 0.00 0.28 0.00 -2.00 0.00 0.00 60.65 58.48 1k8o h LYS 84 Cb 1.13 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.34 1k8o h LYS 84 CO 0.45 0.41 0.61 -0.44 -2.00 0.00 0.00 179.45 178.48 1k8o h ASP 85 N 0.00 0.58 0.00 7.07 5.19 -2.00 -2.79 116.42 124.47 1k8o h ASP 85 Ca -0.11 0.15 -0.12 0.00 -0.62 0.00 0.00 57.03 56.33 1k8o h ASP 85 Cb 1.55 0.07 -0.02 0.00 0.18 0.00 0.00 39.33 41.11 1k8o h ASP 85 CO 0.06 0.02 -1.53 -0.11 -3.12 0.00 0.00 179.24 174.56 1k8o n LEU 86 N -4.90 0.00 0.00 1.55 -0.00 -1.26 -5.19 117.00 107.21 1k8o n LEU 86 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.30 1k8o n LEU 86 Cb 0.87 0.16 0.00 0.00 -0.00 0.00 0.00 43.42 44.45 1k8o n LEU 86 CO 0.16 0.16 0.21 -0.62 -0.00 0.00 0.00 177.39 177.30