#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 1.83 3.23 3.17 0.00 -1.26 -5.14 105.19 107.03 1k8o n GLY 2 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1k8o n GLY 2 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1k8o s GLN 3 N -0.01 0.99 0.05 1.61 -2.07 -1.26 -5.15 119.66 113.81 1k8o s GLN 3 Ca 0.00 -1.17 0.06 0.00 -1.82 0.00 0.00 55.36 52.43 1k8o s GLN 3 Cb 0.00 -0.94 -0.03 0.00 -1.09 0.00 0.00 33.01 30.95 1k8o s GLN 3 CO 0.00 0.19 -0.14 0.14 -1.32 0.00 0.00 175.29 174.16 1k8o s VAL 4 N -1.85 3.10 -0.25 3.63 -7.23 -1.26 -4.58 120.40 111.96 1k8o s VAL 4 Ca 0.06 -1.11 -0.13 0.00 -1.81 0.00 0.00 61.98 58.99 1k8o s VAL 4 Cb -0.07 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 1k8o s VAL 4 CO 0.03 0.30 0.27 0.68 -0.31 0.00 0.00 175.10 176.07 1k8o s VAL 5 N -1.00 5.26 -0.10 1.32 -7.23 0.57 -4.80 120.40 114.43 1k8o s VAL 5 Ca 0.16 0.38 -0.06 0.00 -1.81 0.00 0.00 61.98 60.66 1k8o s VAL 5 Cb -0.11 -3.60 -0.04 0.00 0.56 0.00 0.00 36.38 33.19 1k8o s VAL 5 CO 0.07 0.25 0.12 -1.10 -0.31 0.00 0.00 175.10 174.14 1k8o s GLN 6 N 1.60 3.37 -0.25 4.82 1.11 -1.26 -1.55 119.66 127.50 1k8o s GLN 6 Ca 0.11 -0.20 -0.09 0.00 0.01 0.00 0.00 55.36 55.19 1k8o s GLN 6 Cb -0.15 -3.12 -0.04 0.00 -1.01 0.00 0.00 33.01 28.69 1k8o s GLN 6 CO 0.09 0.75 0.12 0.12 0.01 0.00 0.00 175.29 176.38 1k8o s PHE 7 N -1.05 3.18 0.00 0.91 5.36 -0.50 -4.92 117.98 120.97 1k8o s PHE 7 Ca 0.16 -0.08 0.02 0.00 -0.96 0.00 0.00 56.93 56.08 1k8o s PHE 7 Cb -0.12 -2.27 -0.04 0.00 -0.34 0.00 0.00 43.02 40.26 1k8o s PHE 7 CO 0.06 -0.16 -0.03 -1.59 -1.46 0.00 0.00 175.22 172.04 1k8o s LYS 8 N 1.41 2.67 -0.23 10.12 0.00 -1.26 -0.25 119.74 132.19 1k8o s LYS 8 Ca 0.06 -0.67 -0.34 0.00 0.00 0.00 0.00 55.97 55.03 1k8o s LYS 8 Cb -0.15 -2.59 -0.10 0.00 0.00 0.00 0.00 37.83 34.99 1k8o s LYS 8 CO 0.06 0.61 2.08 -0.11 0.00 0.00 0.00 175.35 177.99 1k8o n LEU 9 N 1.45 2.82 -3.35 2.77 -0.00 -1.25 -4.88 117.00 114.56 1k8o n LEU 9 Ca -0.15 0.58 -0.26 0.00 -0.00 0.00 0.00 56.01 56.19 1k8o n LEU 9 Cb 0.53 -1.35 -0.08 0.00 -0.00 0.00 0.00 43.42 42.51 1k8o n LEU 9 CO 0.33 -0.48 -0.20 -0.24 -0.00 0.00 0.00 177.39 176.79 1k8o n SER 10 N 8.99 1.06 0.00 1.96 2.88 -1.26 -4.15 113.62 123.10 1k8o n SER 10 Ca 0.32 -2.83 0.00 0.00 -1.33 0.00 0.00 58.87 55.03 1k8o n SER 10 Cb 0.29 -0.64 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 1k8o n SER 10 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1k8o n ASP 11 N 1.65 1.97 -3.58 -3.46 9.92 -1.26 -5.02 116.55 116.77 1k8o n ASP 11 Ca 0.25 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 54.31 1k8o n ASP 11 Cb 0.48 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.91 1k8o n ASP 11 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1k8o n ILE 12 N -2.08 0.00 -5.08 0.53 -0.00 -1.26 -4.82 119.36 106.65 1k8o n ILE 12 Ca 0.00 -1.51 -0.32 0.00 -0.00 0.00 0.00 62.75 60.92 1k8o n ILE 12 Cb 0.26 0.34 -0.15 0.00 -0.00 0.00 0.00 39.64 40.09 1k8o n ILE 12 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 1k8o s GLY 13 N -2.73 1.40 -0.61 3.28 0.00 -1.26 -4.75 107.32 102.65 1k8o s GLY 13 Ca 0.02 -1.02 -0.36 0.00 0.00 0.00 0.00 44.72 43.37 1k8o s GLY 13 CO 0.01 -0.67 2.36 -1.84 0.00 0.00 0.00 173.10 172.96 1k8o n GLU 14 N 2.73 0.41 0.00 2.90 0.28 -1.26 -3.04 120.64 122.66 1k8o n GLU 14 Ca -0.17 0.08 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 1k8o n GLU 14 Cb 0.52 -1.98 0.00 0.00 1.43 0.00 0.00 31.44 31.41 1k8o n GLU 14 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1k8o n GLY 15 N 6.77 0.28 0.00 -1.84 0.00 -1.26 -5.14 105.19 103.99 1k8o n GLY 15 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 -1.68 -0.61 -0.00 -1.17 -5.13 119.36 110.77 1k8o n ILE 16 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 62.75 62.41 1k8o n ILE 16 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 39.64 39.70 1k8o n ILE 16 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 1k8o s ARG 17 N 0.51 2.55 0.53 6.28 0.52 -1.26 -5.02 118.95 123.06 1k8o s ARG 17 Ca 0.00 1.67 0.06 0.00 -0.52 0.00 0.00 55.73 56.94 1k8o s ARG 17 Cb 0.00 -1.89 0.06 0.00 0.52 0.00 0.00 34.95 33.63 1k8o s ARG 17 CO 0.00 -1.50 0.74 -1.21 0.02 0.00 0.00 175.30 173.35 1k8o s GLU 18 N -3.80 2.45 0.07 3.54 2.02 -1.26 -4.89 118.70 116.83 1k8o s GLU 18 Ca 0.73 -1.27 0.08 0.00 0.02 0.00 0.00 54.97 54.53 1k8o s GLU 18 Cb -0.27 -2.62 -0.04 0.00 0.10 0.00 0.00 34.13 31.31 1k8o s GLU 18 CO 0.41 -0.70 -0.17 0.54 0.02 0.00 0.00 175.26 175.35 1k8o s VAL 19 N -2.63 2.87 0.24 2.63 0.11 -1.13 -4.90 120.40 117.59 1k8o s VAL 19 Ca 0.59 -1.28 0.02 0.00 -2.93 0.00 0.00 61.98 58.38 1k8o s VAL 19 Cb -0.08 -2.26 -0.04 0.00 -1.53 0.00 0.00 36.38 32.48 1k8o s VAL 19 CO 0.37 0.25 0.41 -0.89 -3.33 0.00 0.00 175.10 171.91 1k8o s THR 20 N -1.02 5.21 -0.05 5.04 2.01 -1.26 0.33 115.64 125.90 1k8o s THR 20 Ca 0.16 -0.61 -0.30 0.00 0.31 0.00 0.00 61.69 61.26 1k8o s THR 20 Cb -0.11 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 1k8o s THR 20 CO 0.07 -0.30 1.02 -0.69 -0.69 0.00 0.00 174.62 174.03 1k8o s VAL 21 N -2.00 4.75 -0.07 3.82 1.01 -1.07 -3.83 120.40 123.01 1k8o s VAL 21 Ca 0.37 2.00 -0.01 0.00 0.00 0.00 0.00 61.98 64.34 1k8o s VAL 21 Cb -0.10 -4.28 -0.26 0.00 0.00 0.00 0.00 36.38 31.74 1k8o s VAL 21 CO 0.31 0.07 0.56 0.50 0.00 0.00 0.00 175.10 176.54 1k8o h LYS 22 N 6.98 0.19 -3.60 2.72 3.11 0.13 -3.36 116.57 122.75 1k8o h LYS 22 Ca -0.36 -0.33 -0.27 0.00 -2.81 0.00 0.00 60.65 56.88 1k8o h LYS 22 Cb 1.18 0.12 -0.32 0.00 -1.00 0.00 0.00 32.23 32.22 1k8o h LYS 22 CO 0.81 0.99 -0.72 -1.21 -2.81 0.00 0.00 179.45 176.51 1k8o s GLU 23 N -2.58 -0.02 -0.16 1.90 0.41 -0.62 -4.97 118.70 112.67 1k8o s GLU 23 Ca -0.14 0.12 -0.00 0.00 -0.41 0.00 0.00 54.97 54.53 1k8o s GLU 23 Cb 0.07 -0.15 0.04 0.00 -1.78 0.00 0.00 34.13 32.31 1k8o s GLU 23 CO 0.81 -0.10 -0.08 -1.58 -0.49 0.00 0.00 175.26 173.82 1k8o s TRP 24 N 0.64 1.83 -0.27 1.61 0.52 -1.26 -1.45 118.94 120.56 1k8o s TRP 24 Ca -0.05 -1.11 0.10 0.00 0.02 0.00 0.00 56.10 55.06 1k8o s TRP 24 Cb -0.08 -1.39 0.46 0.00 -1.15 0.00 0.00 33.47 31.32 1k8o s TRP 24 CO -0.02 -0.62 1.18 0.66 0.02 0.00 0.00 176.95 178.17 1k8o n TYR 25 N 4.85 2.22 -3.81 -1.98 4.01 -1.10 -5.05 117.16 116.29 1k8o n TYR 25 Ca -0.13 -2.11 -0.09 0.00 -0.16 0.00 0.00 57.90 55.41 1k8o n TYR 25 Cb 0.48 -0.31 -0.03 0.00 -0.31 0.00 0.00 39.34 39.17 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 -4.27 0.01 0.08 -0.72 -7.23 -1.26 -4.75 120.40 102.26 1k8o s VAL 26 Ca 0.46 -0.91 -0.09 0.00 -1.81 0.00 0.00 61.98 59.62 1k8o s VAL 26 Cb 0.39 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 35.51 1k8o s VAL 26 CO 0.01 -0.03 0.20 -0.54 -0.31 0.00 0.00 175.10 174.44 1k8o s LYS 27 N -3.91 0.82 0.21 4.82 -0.14 -1.26 -5.07 119.74 115.22 1k8o s LYS 27 Ca 0.12 -0.87 -0.32 0.00 -1.36 0.00 0.00 55.97 53.53 1k8o s LYS 27 Cb -0.03 0.34 -0.14 0.00 -1.68 0.00 0.00 37.83 36.32 1k8o s LYS 27 CO 0.03 -0.26 1.41 0.39 -0.76 0.00 0.00 175.35 176.15 1k8o n GLU 28 N 0.09 1.93 -0.89 1.68 4.71 -1.26 -0.08 120.64 126.81 1k8o n GLU 28 Ca -0.16 0.69 0.00 0.00 -0.01 0.00 0.00 57.16 57.68 1k8o n GLU 28 Cb 0.62 -2.35 0.00 0.00 -1.01 0.00 0.00 31.44 28.70 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 2.36 0.53 3.92 0.62 0.00 0.48 -4.88 105.19 108.22 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 -2.40 6.41 0.10 1.61 -1.08 0.88 -4.78 116.67 117.40 1k8o s ASP 30 Ca 0.00 0.51 0.00 0.00 -0.52 0.00 0.00 52.55 52.54 1k8o s ASP 30 Cb 0.00 -2.06 -0.04 0.00 -1.46 0.00 0.00 42.92 39.36 1k8o s ASP 30 CO 0.00 -0.10 0.26 -0.89 0.52 0.00 0.00 175.17 174.97 1k8o s THR 31 N -1.94 5.33 0.35 1.71 2.01 -1.26 0.15 115.64 122.00 1k8o s THR 31 Ca 0.40 -0.41 0.08 0.00 0.31 0.00 0.00 61.69 62.07 1k8o s THR 31 Cb -0.11 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 1k8o s THR 31 CO 0.29 0.05 0.18 0.68 -0.69 0.00 0.00 174.62 175.13 1k8o s VAL 32 N -1.61 2.97 0.20 3.82 -7.23 0.44 -4.89 120.40 114.09 1k8o s VAL 32 Ca 0.36 -1.63 0.03 0.00 -1.81 0.00 0.00 61.98 58.93 1k8o s VAL 32 Cb -0.12 -3.00 -0.05 0.00 0.56 0.00 0.00 36.38 33.77 1k8o s VAL 32 CO 0.28 -0.15 -0.03 -0.44 -0.31 0.00 0.00 175.10 174.45 1k8o s SER 33 N -3.89 1.69 0.53 4.85 0.01 -1.23 -2.00 113.70 113.66 1k8o s SER 33 Ca 0.39 -1.15 0.23 0.00 1.31 0.00 0.00 55.95 56.73 1k8o s SER 33 Cb -0.02 0.03 1.37 0.00 0.21 0.00 0.00 66.02 67.61 1k8o s SER 33 CO 0.23 -0.47 2.03 0.06 0.41 0.00 0.00 173.24 175.50 1k8o h GLN 34 N 2.60 0.00 0.00 12.44 3.07 -1.78 -1.05 115.11 130.39 1k8o h GLN 34 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.37 1k8o h GLN 34 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.77 1k8o h GLN 34 CO 0.64 0.00 -1.71 1.19 0.09 0.00 0.00 178.83 179.04 1k8o n PHE 35 N -4.41 0.12 -3.07 0.06 3.72 -1.26 -3.12 117.46 109.50 1k8o n PHE 35 Ca 0.07 0.04 -0.45 0.00 -0.05 0.00 0.00 57.45 57.06 1k8o n PHE 35 Cb 0.50 -0.49 -0.03 0.00 -0.94 0.00 0.00 39.48 38.53 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 -4.40 6.61 0.91 4.37 1.01 -0.40 -4.99 116.67 119.79 1k8o s ASP 36 Ca -0.05 -2.16 -0.11 0.00 0.71 0.00 0.00 52.55 50.95 1k8o s ASP 36 Cb 0.14 -2.33 0.13 0.00 1.01 0.00 0.00 42.92 41.87 1k8o s ASP 36 CO 0.89 -0.92 1.08 -1.54 0.21 0.00 0.00 175.17 174.88 1k8o n SER 37 N 5.73 0.18 0.00 0.27 3.41 -1.26 -3.56 113.62 118.39 1k8o n SER 37 Ca 0.16 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 1k8o n SER 37 Cb 0.48 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 1k8o n SER 37 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1k8o n ILE 38 N -4.09 0.00 -4.89 -1.33 5.41 -0.95 -3.97 119.36 109.54 1k8o n ILE 38 Ca 0.12 0.24 -0.27 0.00 1.00 0.00 0.00 62.75 63.83 1k8o n ILE 38 Cb 0.52 -1.01 -0.15 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 -0.89 0.40 0.03 0.00 2.02 -0.53 -1.89 118.70 117.83 1k8o s GLU 40 Ca 0.09 0.12 0.07 0.00 0.02 0.00 0.00 54.97 55.27 1k8o s GLU 40 Cb -0.09 -0.69 -0.02 0.00 0.10 0.00 0.00 34.13 33.43 1k8o s GLU 40 CO 0.01 -0.22 -0.21 0.14 0.02 0.00 0.00 175.26 174.99 1k8o s VAL 41 N 1.52 1.72 -0.14 2.63 -7.23 -0.94 0.16 120.40 118.13 1k8o s VAL 41 Ca -0.02 -1.13 -0.00 0.00 -1.81 0.00 0.00 61.98 59.01 1k8o s VAL 41 Cb -0.13 -1.47 0.03 0.00 0.56 0.00 0.00 36.38 35.37 1k8o s VAL 41 CO -0.03 0.30 -0.10 -1.10 -0.31 0.00 0.00 175.10 173.87 1k8o s GLN 42 N -0.98 1.80 0.14 4.82 -0.21 -1.25 -1.60 119.66 122.37 1k8o s GLN 42 Ca 0.08 -0.44 0.10 0.00 0.02 0.00 0.00 55.36 55.13 1k8o s GLN 42 Cb -0.09 -1.89 -0.04 0.00 1.00 0.00 0.00 33.01 32.00 1k8o s GLN 42 CO 0.01 -0.30 -0.25 0.45 -2.12 0.00 0.00 175.29 173.09 1k8o s SER 43 N 1.60 3.16 0.48 5.90 0.15 -0.86 -4.75 113.70 119.38 1k8o s SER 43 Ca 0.04 -0.77 0.26 0.00 0.70 0.00 0.00 55.95 56.17 1k8o s SER 43 Cb -0.13 -0.21 1.31 0.00 -1.71 0.00 0.00 66.02 65.27 1k8o s SER 43 CO -0.09 0.13 1.84 -2.24 1.20 0.00 0.00 173.24 174.08 1k8o h ASP 44 N 3.71 0.20 0.26 5.45 3.04 -2.00 -2.35 116.42 124.73 1k8o h ASP 44 Ca -0.48 0.03 -0.01 0.00 -3.24 0.00 0.00 57.03 53.32 1k8o h ASP 44 Cb 1.18 -0.01 0.00 0.00 -1.04 0.00 0.00 39.33 39.47 1k8o h ASP 44 CO 0.42 0.06 -0.12 0.50 -2.04 0.00 0.00 179.24 178.06 1k8o h LYS 45 N 0.19 -0.33 -3.30 4.15 3.64 -1.96 -3.48 116.57 115.48 1k8o h LYS 45 Ca 0.50 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.79 1k8o h LYS 45 Cb 1.61 0.08 -0.18 0.00 -0.41 0.00 0.00 32.23 33.33 1k8o h LYS 45 CO -0.12 -0.22 -0.29 0.00 -2.27 0.00 0.00 179.45 176.55 1k8o s ALA 46 N -3.54 -0.63 -0.12 5.00 0.00 -0.89 -5.16 121.76 116.43 1k8o s ALA 46 Ca -0.05 0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1k8o s ALA 46 Cb 0.01 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 1k8o s ALA 46 CO 0.15 -0.36 -0.13 -1.12 0.00 0.00 0.00 175.76 174.30 1k8o s SER 47 N -1.86 4.00 -0.09 0.00 0.01 -1.26 -2.03 113.70 112.48 1k8o s SER 47 Ca -0.08 -0.32 0.01 0.00 1.31 0.00 0.00 55.95 56.88 1k8o s SER 47 Cb -0.02 -1.55 0.02 0.00 0.21 0.00 0.00 66.02 64.68 1k8o s SER 47 CO -0.01 0.18 -0.10 -0.69 0.41 0.00 0.00 173.24 173.02 1k8o s VAL 48 N 0.26 1.11 -0.16 3.43 1.01 -0.63 -5.00 120.40 120.42 1k8o s VAL 48 Ca -0.09 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 1k8o s VAL 48 Cb -0.16 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 1k8o s VAL 48 CO 0.05 0.36 0.01 0.42 0.00 0.00 0.00 175.10 175.95 1k8o s THR 49 N 1.10 4.36 -0.45 3.92 -4.23 -1.26 -2.21 115.64 116.86 1k8o s THR 49 Ca -0.06 -0.19 -0.16 0.00 -1.18 0.00 0.00 61.69 60.10 1k8o s THR 49 Cb -0.14 -2.93 0.05 0.00 1.34 0.00 0.00 72.50 70.82 1k8o s THR 49 CO -0.01 0.49 0.39 -0.63 -0.54 0.00 0.00 174.62 174.31 1k8o s ILE 50 N 0.25 5.20 0.73 2.99 -1.09 -0.79 -5.03 121.20 123.46 1k8o s ILE 50 Ca 0.01 -0.86 -0.03 0.00 -2.23 0.00 0.00 60.65 57.53 1k8o s ILE 50 Cb -0.13 -4.08 0.15 0.00 -1.58 0.00 0.00 42.46 36.82 1k8o s ILE 50 CO 0.02 -0.51 1.00 0.35 -1.23 0.00 0.00 174.94 174.56 1k8o n THR 51 N 5.24 0.00 -0.02 2.92 -2.24 -1.26 -2.25 114.28 116.68 1k8o n THR 51 Ca -0.11 -1.36 -0.05 0.00 -2.27 0.00 0.00 64.05 60.27 1k8o n THR 51 Cb 0.45 -1.06 -0.02 0.00 -2.10 0.00 0.00 70.33 67.61 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 -3.10 0.44 0.00 3.42 7.64 -1.26 -4.70 113.62 116.06 1k8o n SER 52 Ca 0.15 0.07 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1k8o n SER 52 Cb 0.55 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 1k8o n SER 52 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1k8o n ARG 53 N -3.26 -0.95 -3.72 1.43 3.00 -1.18 -4.87 116.66 107.10 1k8o n ARG 53 Ca -0.08 0.24 0.01 0.00 -0.00 0.00 0.00 57.85 58.02 1k8o n ARG 53 Cb 0.51 -4.04 -0.00 0.00 0.00 0.00 0.00 32.46 28.92 1k8o n ARG 53 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1k8o s TYR 54 N -1.57 -0.03 -0.24 -0.14 2.02 -1.26 -4.78 117.35 111.35 1k8o s TYR 54 Ca 0.00 -0.11 -0.13 0.00 -0.37 0.00 0.00 57.07 56.46 1k8o s TYR 54 Cb 0.00 0.56 -0.04 0.00 -0.40 0.00 0.00 41.96 42.08 1k8o s TYR 54 CO 0.00 -0.34 0.29 -0.51 -1.57 0.00 0.00 175.55 173.42 1k8o s ASP 55 N -3.18 6.24 0.24 2.29 1.01 -1.26 -2.41 116.67 119.61 1k8o s ASP 55 Ca 0.18 0.27 0.05 0.00 0.71 0.00 0.00 52.55 53.76 1k8o s ASP 55 Cb 0.03 -2.17 -0.05 0.00 1.01 0.00 0.00 42.92 41.73 1k8o s ASP 55 CO -0.02 -0.05 -0.03 -0.83 0.21 0.00 0.00 175.17 174.44 1k8o s GLY 56 N 1.27 1.61 -0.26 0.21 0.00 -0.85 -4.80 107.32 104.51 1k8o s GLY 56 Ca 0.13 -1.79 -0.08 0.00 0.00 0.00 0.00 44.72 42.98 1k8o s GLY 56 CO 0.08 -1.72 0.08 0.14 0.00 0.00 0.00 173.10 171.68 1k8o s VAL 57 N -3.26 4.39 -0.22 1.40 1.01 -0.88 0.17 120.40 123.01 1k8o s VAL 57 Ca 0.28 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 1k8o s VAL 57 Cb 0.05 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 1k8o s VAL 57 CO 0.09 0.31 0.20 -0.63 0.00 0.00 0.00 175.10 175.07 1k8o s ILE 58 N 1.62 5.34 -0.24 2.22 1.01 0.41 -0.72 121.20 130.85 1k8o s ILE 58 Ca 0.06 0.30 -0.00 0.00 0.00 0.00 0.00 60.65 61.01 1k8o s ILE 58 Cb -0.15 -3.54 -0.18 0.00 0.01 0.00 0.00 42.46 38.60 1k8o s ILE 58 CO 0.04 0.36 -0.15 1.17 0.00 0.00 0.00 174.94 176.36 1k8o n LYS 59 N 4.05 0.66 -3.84 2.79 4.81 -1.08 0.18 118.16 125.73 1k8o n LYS 59 Ca -0.14 0.17 -0.12 0.00 -0.87 0.00 0.00 58.31 57.36 1k8o n LYS 59 Cb 0.52 -1.55 -0.10 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 -2.52 0.45 -0.01 1.64 0.00 -1.26 -1.20 119.74 116.84 1k8o s LYS 60 Ca -0.33 -0.23 0.01 0.00 0.00 0.00 0.00 55.97 55.41 1k8o s LYS 60 Cb 0.09 0.19 0.01 0.00 0.00 0.00 0.00 37.83 38.12 1k8o s LYS 60 CO 0.62 -0.10 -0.02 -0.51 0.00 0.00 0.00 175.35 175.34 1k8o s LEU 61 N -1.06 1.64 -0.07 2.77 1.43 -1.26 -4.02 118.68 118.10 1k8o s LEU 61 Ca -0.11 -0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 52.93 1k8o s LEU 61 Cb -0.06 -0.19 -0.04 0.00 0.03 0.00 0.00 46.19 45.94 1k8o s LEU 61 CO 0.02 -0.02 -0.08 0.00 0.23 0.00 0.00 176.35 176.49 1k8o n TYR 62 N 3.50 0.00 -3.19 0.29 4.19 -1.26 -4.91 117.16 115.78 1k8o n TYR 62 Ca -0.19 0.00 -0.39 0.00 3.31 0.00 0.00 57.90 60.63 1k8o n TYR 62 Cb 0.55 -0.27 -0.06 0.00 0.49 0.00 0.00 39.34 40.05 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 -2.14 3.80 0.18 2.98 1.51 -1.26 -5.01 117.35 117.41 1k8o s TYR 63 Ca -0.10 1.34 0.00 0.00 -1.01 0.00 0.00 57.07 57.30 1k8o s TYR 63 Cb 0.03 -2.59 0.00 0.00 -0.11 0.00 0.00 41.96 39.30 1k8o s TYR 63 CO 0.15 0.51 0.02 0.09 -1.11 0.00 0.00 175.55 175.21 1k8o n ASN 64 N 1.96 2.38 0.09 2.29 5.03 -1.26 -4.94 115.26 120.80 1k8o n ASN 64 Ca -0.08 -1.77 0.20 0.00 0.87 0.00 0.00 54.58 53.79 1k8o n ASN 64 Cb 0.50 0.11 0.75 0.00 -1.02 0.00 0.00 39.78 40.12 1k8o n ASN 64 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1k8o h LEU 65 N 0.00 0.00 0.00 3.41 4.07 -1.94 -1.80 115.31 119.05 1k8o h LEU 65 Ca -0.15 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.62 1k8o h LEU 65 Cb 0.45 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.16 1k8o h LEU 65 CO 0.24 0.00 -2.10 0.47 -1.08 0.00 0.00 178.44 175.97 1k8o n ASP 66 N -3.77 0.51 -4.82 -0.43 9.92 -1.26 -3.89 116.55 112.80 1k8o n ASP 66 Ca 0.07 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 54.01 1k8o n ASP 66 Cb 0.59 1.35 0.01 0.00 -0.64 0.00 0.00 41.12 42.43 1k8o n ASP 66 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1k8o s ASP 67 N -4.83 5.94 -0.07 -2.24 -1.08 -0.68 -4.83 116.67 108.88 1k8o s ASP 67 Ca -0.08 1.69 0.01 0.00 -0.52 0.00 0.00 52.55 53.64 1k8o s ASP 67 Cb 0.08 -2.51 -0.03 0.00 -1.46 0.00 0.00 42.92 39.00 1k8o s ASP 67 CO 0.78 -1.06 -0.06 -0.63 0.52 0.00 0.00 175.17 174.72 1k8o s ILE 68 N -2.67 3.78 0.03 4.11 -1.09 -1.26 -2.58 121.20 121.51 1k8o s ILE 68 Ca 0.61 -0.46 0.01 0.00 -2.23 0.00 0.00 60.65 58.57 1k8o s ILE 68 Cb -0.14 -2.55 -0.04 0.00 -1.58 0.00 0.00 42.46 38.15 1k8o s ILE 68 CO 0.40 0.59 0.09 0.00 -1.23 0.00 0.00 174.94 174.79 1k8o s ALA 69 N -0.83 3.60 0.05 9.38 0.00 0.15 -4.89 121.76 129.23 1k8o s ALA 69 Ca 0.13 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.19 1k8o s ALA 69 Cb -0.11 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 1k8o s ALA 69 CO 0.02 0.72 0.07 0.71 0.00 0.00 0.00 175.76 177.27 1k8o s TYR 70 N -1.27 3.19 0.02 0.00 2.02 -1.26 -2.84 117.35 117.21 1k8o s TYR 70 Ca 0.26 0.10 -0.26 0.00 -0.37 0.00 0.00 57.07 56.80 1k8o s TYR 70 Cb -0.12 -1.65 -0.05 0.00 -0.40 0.00 0.00 41.96 39.74 1k8o s TYR 70 CO 0.17 0.52 0.81 0.08 -1.57 0.00 0.00 175.55 175.56 1k8o s VAL 71 N -1.31 4.79 0.00 0.71 1.01 -1.26 -4.14 120.40 120.20 1k8o s VAL 71 Ca 0.27 1.70 0.00 0.00 0.00 0.00 0.00 61.98 63.95 1k8o s VAL 71 Cb -0.12 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.11 1k8o s VAL 71 CO 0.19 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1k8o n GLY 72 N 2.59 0.84 3.36 4.51 0.00 -1.26 -4.50 105.19 110.73 1k8o n GLY 72 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 0.72 1.05 1.61 1.02 -1.26 -5.12 119.74 117.76 1k8o s LYS 73 Ca 0.00 0.25 -0.14 0.00 0.02 0.00 0.00 55.97 56.10 1k8o s LYS 73 Cb 0.00 0.34 0.13 0.00 -0.52 0.00 0.00 37.83 37.77 1k8o s LYS 73 CO 0.00 -0.17 0.48 -2.30 -0.92 0.00 0.00 175.35 172.44 1k8o n PRO 74 N 1.78 -1.21 0.00 -1.68 -0.02 -1.26 -3.77 135.00 128.84 1k8o n PRO 74 Ca -0.18 -0.32 0.00 0.00 -2.02 0.00 0.00 63.50 60.98 1k8o n PRO 74 Cb 0.56 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 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 -2.54 0.36 -3.88 2.45 0.00 0.65 -4.78 117.00 109.26 1k8o n LEU 75 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 55.94 1k8o n LEU 75 Cb 0.57 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.86 1k8o n LEU 75 CO 0.52 -0.05 -0.28 0.54 0.00 0.00 0.00 177.39 178.12 1k8o s VAL 76 N -1.96 0.04 -0.20 1.96 0.11 -1.06 -4.40 120.40 114.89 1k8o s VAL 76 Ca 0.00 -0.34 -0.07 0.00 -2.93 0.00 0.00 61.98 58.63 1k8o s VAL 76 Cb 0.00 -0.20 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 1k8o s VAL 76 CO 0.00 -0.19 0.06 -1.81 -3.33 0.00 0.00 175.10 169.83 1k8o s ASP 77 N -0.58 5.42 0.04 3.54 1.11 -1.26 -1.41 116.67 123.53 1k8o s ASP 77 Ca -0.07 -0.02 0.02 0.00 0.18 0.00 0.00 52.55 52.66 1k8o s ASP 77 Cb -0.04 -1.94 -0.02 0.00 1.07 0.00 0.00 42.92 41.99 1k8o s ASP 77 CO 0.00 0.11 -0.06 -0.63 1.18 0.00 0.00 175.17 175.76 1k8o s ILE 78 N 0.76 0.43 -0.37 0.77 1.09 -0.60 -2.64 121.20 120.65 1k8o s ILE 78 Ca 0.03 -1.09 -0.15 0.00 -1.10 0.00 0.00 60.65 58.34 1k8o s ILE 78 Cb -0.14 -0.58 0.00 0.00 -1.06 0.00 0.00 42.46 40.68 1k8o s ILE 78 CO 0.02 -0.45 0.34 -1.61 -0.10 0.00 0.00 174.94 173.15 1k8o s GLU 79 N -1.70 3.34 0.05 2.79 2.02 0.11 0.21 118.70 125.51 1k8o s GLU 79 Ca -0.10 -0.65 -0.03 0.00 0.02 0.00 0.00 54.97 54.21 1k8o s GLU 79 Cb -0.09 -3.87 -0.02 0.00 0.10 0.00 0.00 34.13 30.24 1k8o s GLU 79 CO -0.00 -0.62 0.04 0.99 0.02 0.00 0.00 175.26 175.68 1k8o s THR 80 N 1.93 0.17 0.73 3.63 2.01 -1.26 -2.06 115.64 120.79 1k8o s THR 80 Ca 0.09 -1.39 -0.16 0.00 0.31 0.00 0.00 61.69 60.55 1k8o s THR 80 Cb -0.17 -1.14 0.02 0.00 0.01 0.00 0.00 72.50 71.21 1k8o s THR 80 CO 0.12 -0.77 1.02 1.21 -0.69 0.00 0.00 174.62 175.50 1k8o n GLU 81 N 0.48 0.48 -1.38 4.92 0.00 -1.26 -4.74 120.64 119.14 1k8o n GLU 81 Ca -0.17 0.22 -0.55 0.00 0.00 0.00 0.00 57.16 56.66 1k8o n GLU 81 Cb 0.60 -2.27 -0.09 0.00 0.00 0.00 0.00 31.44 29.67 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 -2.62 0.64 -2.86 4.31 0.00 -1.26 -4.92 120.51 113.81 1k8o n ALA 82 Ca 0.13 0.07 -0.33 0.00 0.00 0.00 0.00 53.44 53.32 1k8o n ALA 82 Cb 0.50 -2.33 -0.14 0.00 0.00 0.00 0.00 19.45 17.47 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 6.54 2.71 0.63 0.00 1.43 -1.26 -4.99 118.68 123.74 1k8o s LEU 83 Ca 1.13 -0.28 0.31 0.00 -1.03 0.00 0.00 54.13 54.26 1k8o s LEU 83 Cb -1.14 -1.59 1.70 0.00 0.03 0.00 0.00 46.19 45.20 1k8o s LEU 83 CO 0.57 0.23 2.02 0.11 0.23 0.00 0.00 176.35 179.51 1k8o h LYS 84 N 6.20 0.00 -0.90 1.70 1.57 -1.92 -2.43 116.57 120.79 1k8o h LYS 84 Ca -0.33 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 58.69 1k8o h LYS 84 Cb 1.19 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.34 1k8o h LYS 84 CO 0.53 0.00 0.09 -0.44 -0.57 0.00 0.00 179.45 179.06 1k8o h ASP 85 N 0.00 -0.30 0.00 0.86 5.19 -1.99 -2.34 116.42 117.84 1k8o h ASP 85 Ca 0.07 0.24 -0.14 0.00 -0.62 0.00 0.00 57.03 56.58 1k8o h ASP 85 Cb 0.64 0.39 -0.03 0.00 0.18 0.00 0.00 39.33 40.51 1k8o h ASP 85 CO -0.00 -0.26 -1.81 -0.11 -3.12 0.00 0.00 179.24 173.94 1k8o n LEU 86 N -5.38 0.00 0.00 1.55 7.94 -0.98 -5.16 117.00 114.97 1k8o n LEU 86 Ca 0.21 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.11 1k8o n LEU 86 Cb 0.68 0.18 0.00 0.00 0.53 0.00 0.00 43.42 44.82 1k8o n LEU 86 CO -0.00 0.18 0.00 -1.84 -1.11 0.00 0.00 177.39 174.62