#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 0.64 3.89 3.03 0.00 -1.26 -5.02 105.19 106.47 1k8o n GLY 2 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.25 3.73 0.02 1.61 -0.21 -1.26 -5.10 119.66 118.21 1k8o s GLN 3 Ca 0.00 0.19 0.02 0.00 0.02 0.00 0.00 55.36 55.58 1k8o s GLN 3 Cb 0.00 -2.63 -0.02 0.00 1.00 0.00 0.00 33.01 31.36 1k8o s GLN 3 CO 0.00 0.26 -0.06 0.14 -2.12 0.00 0.00 175.29 173.51 1k8o s VAL 4 N -1.95 0.41 -0.23 1.09 -7.23 -1.26 -4.72 120.40 106.50 1k8o s VAL 4 Ca 0.46 -0.77 -0.13 0.00 -1.81 0.00 0.00 61.98 59.74 1k8o s VAL 4 Cb -0.11 -0.45 -0.05 0.00 0.56 0.00 0.00 36.38 36.33 1k8o s VAL 4 CO 0.25 -0.25 0.25 0.68 -0.31 0.00 0.00 175.10 175.72 1k8o s VAL 5 N -0.99 5.29 -0.04 1.32 -7.23 0.52 -4.77 120.40 114.51 1k8o s VAL 5 Ca -0.07 0.37 -0.03 0.00 -1.81 0.00 0.00 61.98 60.44 1k8o s VAL 5 Cb -0.07 -3.59 -0.04 0.00 0.56 0.00 0.00 36.38 33.24 1k8o s VAL 5 CO 0.00 0.30 0.15 -1.10 -0.31 0.00 0.00 175.10 174.14 1k8o s GLN 6 N 1.25 3.36 -0.10 4.82 -0.21 -1.26 -0.36 119.66 127.16 1k8o s GLN 6 Ca 0.12 -0.31 -0.04 0.00 0.02 0.00 0.00 55.36 55.15 1k8o s GLN 6 Cb -0.14 -3.07 -0.04 0.00 1.00 0.00 0.00 33.01 30.76 1k8o s GLN 6 CO 0.06 0.70 0.06 0.12 -2.12 0.00 0.00 175.29 174.10 1k8o s PHE 7 N -1.22 3.33 0.04 0.91 5.36 -0.48 -4.96 117.98 120.96 1k8o s PHE 7 Ca 0.23 0.32 0.06 0.00 -0.96 0.00 0.00 56.93 56.59 1k8o s PHE 7 Cb -0.12 -1.85 -0.02 0.00 -0.34 0.00 0.00 43.02 40.69 1k8o s PHE 7 CO 0.14 0.57 -0.17 -1.59 -1.46 0.00 0.00 175.22 172.72 1k8o s LYS 8 N -0.93 1.11 -0.15 10.12 0.00 -1.26 0.36 119.74 128.99 1k8o s LYS 8 Ca 0.14 -0.82 -0.39 0.00 0.00 0.00 0.00 55.97 54.90 1k8o s LYS 8 Cb -0.12 -1.16 -0.16 0.00 0.00 0.00 0.00 37.83 36.39 1k8o s LYS 8 CO 0.03 0.29 1.59 -0.11 0.00 0.00 0.00 175.35 177.15 1k8o n LEU 9 N 1.91 2.06 -4.63 2.77 -0.00 -1.26 -4.96 117.00 112.90 1k8o n LEU 9 Ca -0.18 1.09 -0.28 0.00 -0.00 0.00 0.00 56.01 56.65 1k8o n LEU 9 Cb 0.54 -1.15 -0.11 0.00 -0.00 0.00 0.00 43.42 42.71 1k8o n LEU 9 CO 0.23 -0.68 -0.29 -0.94 -0.00 0.00 0.00 177.39 175.71 1k8o s SER 10 N 2.41 3.90 0.00 1.96 1.04 -1.26 -4.15 113.70 117.60 1k8o s SER 10 Ca 0.94 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 55.98 1k8o s SER 10 Cb -1.04 -0.35 0.00 0.00 0.10 0.00 0.00 66.02 64.73 1k8o s SER 10 CO 0.59 -0.47 0.00 -0.67 0.98 0.00 0.00 173.24 173.67 1k8o n ASP 11 N -0.99 0.00 -4.62 7.02 -0.08 -1.26 -5.02 116.55 111.60 1k8o n ASP 11 Ca -0.06 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.91 1k8o n ASP 11 Cb 0.67 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 44.03 1k8o n ASP 11 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1k8o s ILE 12 N -2.09 3.72 -0.14 5.18 1.01 -1.26 -5.12 121.20 122.49 1k8o s ILE 12 Ca 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 59.76 1k8o s ILE 12 Cb 0.00 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 1k8o s ILE 12 CO 0.00 0.31 -0.05 -0.83 0.00 0.00 0.00 174.94 174.37 1k8o s GLY 13 N -1.69 1.70 -0.88 6.18 0.00 -1.26 -4.66 107.32 106.71 1k8o s GLY 13 Ca 0.19 -0.83 -0.20 0.00 0.00 0.00 0.00 44.72 43.88 1k8o s GLY 13 CO 0.10 -0.17 2.37 -2.21 0.00 0.00 0.00 173.10 173.20 1k8o n GLU 14 N 3.33 0.28 0.00 2.90 0.00 -1.26 -1.57 120.64 124.31 1k8o n GLU 14 Ca -0.18 -0.22 0.00 0.00 0.00 0.00 0.00 57.16 56.76 1k8o n GLU 14 Cb 0.53 -2.12 0.00 0.00 0.00 0.00 0.00 31.44 29.84 1k8o n GLU 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1k8o n GLY 15 N 6.11 0.45 0.00 8.31 0.00 -1.26 -5.14 105.19 113.66 1k8o n GLY 15 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -2.56 -0.61 -5.35 -0.61 -5.10 119.36 105.13 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 -0.58 -0.05 0.00 -1.74 0.00 0.00 39.64 37.27 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 2.64 4.02 0.51 6.28 0.52 -1.26 -4.98 118.95 126.69 1k8o s ARG 17 Ca 0.00 1.06 0.07 0.00 -0.52 0.00 0.00 55.73 56.34 1k8o s ARG 17 Cb 0.00 -2.15 0.05 0.00 0.52 0.00 0.00 34.95 33.37 1k8o s ARG 17 CO 0.00 -0.21 0.70 -1.21 0.02 0.00 0.00 175.30 174.60 1k8o s GLU 18 N -3.67 2.52 0.11 3.54 0.41 -1.26 -4.78 118.70 115.57 1k8o s GLU 18 Ca 0.61 -1.35 0.07 0.00 -0.41 0.00 0.00 54.97 53.89 1k8o s GLU 18 Cb -0.10 -2.66 -0.03 0.00 -1.78 0.00 0.00 34.13 29.55 1k8o s GLU 18 CO 0.24 -0.62 -0.18 0.54 -0.49 0.00 0.00 175.26 174.75 1k8o s VAL 19 N -2.56 1.55 0.29 2.63 0.11 -1.14 -4.94 120.40 116.33 1k8o s VAL 19 Ca 0.59 -1.57 0.05 0.00 -2.93 0.00 0.00 61.98 58.11 1k8o s VAL 19 Cb -0.08 -1.49 -0.02 0.00 -1.53 0.00 0.00 36.38 33.25 1k8o s VAL 19 CO 0.37 -0.18 0.42 -0.89 -3.33 0.00 0.00 175.10 171.49 1k8o s THR 20 N -1.44 4.91 -0.11 5.04 2.01 -1.26 0.62 115.64 125.41 1k8o s THR 20 Ca 0.06 -0.90 -0.24 0.00 0.31 0.00 0.00 61.69 60.92 1k8o s THR 20 Cb -0.09 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1k8o s THR 20 CO 0.04 -0.32 0.77 -0.69 -0.69 0.00 0.00 174.62 173.73 1k8o s VAL 21 N -2.09 4.96 -0.13 3.82 1.01 -1.09 -3.84 120.40 123.04 1k8o s VAL 21 Ca 0.38 1.55 0.17 0.00 0.00 0.00 0.00 61.98 64.08 1k8o s VAL 21 Cb -0.09 -4.09 -0.22 0.00 0.00 0.00 0.00 36.38 31.97 1k8o s VAL 21 CO 0.31 0.14 0.46 1.17 0.00 0.00 0.00 175.10 177.18 1k8o n LYS 22 N 4.48 0.65 -3.74 2.72 3.00 0.29 -4.06 118.16 121.50 1k8o n LYS 22 Ca 0.02 0.08 -0.16 0.00 -0.00 0.00 0.00 58.31 58.25 1k8o n LYS 22 Cb 0.50 -1.65 -0.16 0.00 0.00 0.00 0.00 35.03 33.72 1k8o n LYS 22 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1k8o s GLU 23 N -2.80 -0.03 -0.20 1.64 2.12 -0.59 -4.99 118.70 113.86 1k8o s GLU 23 Ca -0.07 0.28 0.01 0.00 0.36 0.00 0.00 54.97 55.55 1k8o s GLU 23 Cb 0.08 -0.30 0.04 0.00 0.26 0.00 0.00 34.13 34.21 1k8o s GLU 23 CO 0.84 -0.21 -0.12 -1.58 -0.54 0.00 0.00 175.26 173.64 1k8o s TRP 24 N 1.40 2.52 -0.20 5.30 0.52 -1.26 -1.45 118.94 125.77 1k8o s TRP 24 Ca -0.05 -1.63 0.12 0.00 0.02 0.00 0.00 56.10 54.56 1k8o s TRP 24 Cb -0.13 -1.70 0.41 0.00 -1.15 0.00 0.00 33.47 30.90 1k8o s TRP 24 CO -0.04 -0.76 1.21 0.66 0.02 0.00 0.00 176.95 178.05 1k8o n TYR 25 N 4.66 0.00 -3.96 -1.98 4.01 -1.09 -5.05 117.16 113.75 1k8o n TYR 25 Ca -0.16 -1.44 -0.10 0.00 -0.16 0.00 0.00 57.90 56.05 1k8o n TYR 25 Cb 0.47 -0.24 -0.06 0.00 -0.31 0.00 0.00 39.34 39.20 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 -3.16 0.03 0.12 -0.72 -7.23 -1.26 -4.70 120.40 103.49 1k8o s VAL 26 Ca 0.37 -1.36 -0.10 0.00 -1.81 0.00 0.00 61.98 59.09 1k8o s VAL 26 Cb 0.36 -2.01 -0.00 0.00 0.56 0.00 0.00 36.38 35.29 1k8o s VAL 26 CO -0.06 -0.12 0.25 -0.54 -0.31 0.00 0.00 175.10 174.31 1k8o s LYS 27 N -3.99 1.00 0.33 4.82 -0.14 -1.26 -5.07 119.74 115.43 1k8o s LYS 27 Ca 0.20 -1.02 -0.28 0.00 -1.36 0.00 0.00 55.97 53.51 1k8o s LYS 27 Cb 0.01 0.37 -0.13 0.00 -1.68 0.00 0.00 37.83 36.41 1k8o s LYS 27 CO 0.04 -0.35 1.26 0.39 -0.76 0.00 0.00 175.35 175.94 1k8o n GLU 28 N -0.14 2.04 -0.85 1.68 1.02 -1.26 -0.71 120.64 122.42 1k8o n GLU 28 Ca -0.12 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 1k8o n GLU 28 Cb 0.63 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 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 0.86 0.35 3.93 0.62 0.00 0.29 -4.87 105.19 106.38 1k8o n GLY 29 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.25 6.36 0.01 1.61 -1.08 0.23 -4.83 116.67 116.73 1k8o s ASP 30 Ca 0.00 0.26 -0.01 0.00 -0.52 0.00 0.00 52.55 52.29 1k8o s ASP 30 Cb 0.00 -1.95 -0.04 0.00 -1.46 0.00 0.00 42.92 39.47 1k8o s ASP 30 CO 0.00 0.06 0.12 -0.89 0.52 0.00 0.00 175.17 174.98 1k8o s THR 31 N -1.71 4.97 0.36 1.71 2.01 -1.26 0.13 115.64 121.84 1k8o s THR 31 Ca 0.36 -0.38 0.07 0.00 0.31 0.00 0.00 61.69 62.06 1k8o s THR 31 Cb -0.12 -3.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.05 1k8o s THR 31 CO 0.28 0.30 0.33 0.68 -0.69 0.00 0.00 174.62 175.52 1k8o s VAL 32 N -1.28 3.35 0.19 3.82 -7.23 0.39 -4.91 120.40 114.74 1k8o s VAL 32 Ca 0.26 -1.34 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 1k8o s VAL 32 Cb -0.12 -3.15 -0.04 0.00 0.56 0.00 0.00 36.38 33.62 1k8o s VAL 32 CO 0.17 -0.13 0.08 -0.55 -0.31 0.00 0.00 175.10 174.36 1k8o s SER 33 N -4.04 0.67 0.53 4.85 0.15 -1.23 -1.89 113.70 112.74 1k8o s SER 33 Ca 0.43 -1.30 0.34 0.00 0.70 0.00 0.00 55.95 56.12 1k8o s SER 33 Cb -0.06 0.25 1.86 0.00 -1.71 0.00 0.00 66.02 66.36 1k8o s SER 33 CO 0.27 -0.73 2.04 -0.61 1.20 0.00 0.00 173.24 175.41 1k8o h GLN 34 N 2.63 0.00 0.00 5.44 -0.00 -1.88 -1.06 115.11 120.24 1k8o h GLN 34 Ca -0.37 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.26 1k8o h GLN 34 Cb 1.23 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.70 1k8o h GLN 34 CO 0.58 0.00 -1.88 1.19 0.00 0.00 0.00 178.83 178.73 1k8o n PHE 35 N -2.73 0.00 -3.43 3.99 3.01 -1.26 -4.49 117.46 112.55 1k8o n PHE 35 Ca -0.02 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.00 1k8o n PHE 35 Cb 0.10 -0.46 -0.08 0.00 -0.01 0.00 0.00 39.48 39.03 1k8o n PHE 35 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1k8o s ASP 36 N -4.22 6.06 0.69 4.37 1.11 -0.40 -5.07 116.67 119.20 1k8o s ASP 36 Ca -0.07 -1.33 -0.11 0.00 0.18 0.00 0.00 52.55 51.22 1k8o s ASP 36 Cb 0.11 -2.15 0.01 0.00 1.07 0.00 0.00 42.92 41.96 1k8o s ASP 36 CO 0.77 -0.62 1.06 -0.94 1.18 0.00 0.00 175.17 176.63 1k8o s SER 37 N 2.47 5.40 0.00 0.27 1.04 -1.26 -3.49 113.70 118.13 1k8o s SER 37 Ca 0.04 1.63 0.00 0.00 0.48 0.00 0.00 55.95 58.10 1k8o s SER 37 Cb -0.24 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1k8o s SER 37 CO 0.06 -1.43 0.00 -0.38 0.98 0.00 0.00 173.24 172.47 1k8o n ILE 38 N -3.06 0.00 -5.08 -1.02 5.41 -1.03 -3.84 119.36 110.73 1k8o n ILE 38 Ca 0.08 0.03 -0.28 0.00 1.00 0.00 0.00 62.75 63.57 1k8o n ILE 38 Cb 0.53 -0.43 -0.16 0.00 -0.71 0.00 0.00 39.64 38.87 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 -0.34 1.39 0.04 0.00 2.02 -0.53 -0.94 118.70 120.34 1k8o s GLU 40 Ca 0.04 -0.24 0.09 0.00 0.02 0.00 0.00 54.97 54.87 1k8o s GLU 40 Cb -0.10 -1.37 -0.03 0.00 0.10 0.00 0.00 34.13 32.73 1k8o s GLU 40 CO 0.01 -0.16 -0.26 0.14 0.02 0.00 0.00 175.26 175.01 1k8o s VAL 41 N 1.33 2.19 -0.06 2.63 -7.23 -0.43 0.11 120.40 118.93 1k8o s VAL 41 Ca -0.03 -1.34 0.03 0.00 -1.81 0.00 0.00 61.98 58.84 1k8o s VAL 41 Cb -0.14 -1.84 0.00 0.00 0.56 0.00 0.00 36.38 34.97 1k8o s VAL 41 CO -0.03 0.39 -0.16 -1.10 -0.31 0.00 0.00 175.10 173.89 1k8o s GLN 42 N -1.17 1.92 0.16 4.82 -0.21 -1.25 -0.02 119.66 123.91 1k8o s GLN 42 Ca 0.12 -0.55 0.10 0.00 0.02 0.00 0.00 55.36 55.05 1k8o s GLN 42 Cb -0.10 -1.58 -0.04 0.00 1.00 0.00 0.00 33.01 32.29 1k8o s GLN 42 CO 0.02 0.13 -0.20 -1.12 -2.12 0.00 0.00 175.29 172.00 1k8o s SER 43 N 0.37 3.68 0.63 5.90 0.01 -0.11 -4.74 113.70 119.44 1k8o s SER 43 Ca -0.11 -0.71 0.33 0.00 1.31 0.00 0.00 55.95 56.78 1k8o s SER 43 Cb -0.14 -0.41 1.86 0.00 0.21 0.00 0.00 66.02 67.53 1k8o s SER 43 CO 0.04 0.15 2.11 -2.24 0.41 0.00 0.00 173.24 173.71 1k8o h ASP 44 N 3.43 0.00 0.00 2.44 2.03 -2.01 -2.84 116.42 119.48 1k8o h ASP 44 Ca -0.48 0.00 -0.42 0.00 -0.73 0.00 0.00 57.03 55.40 1k8o h ASP 44 Cb 1.19 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.62 1k8o h ASP 44 CO 0.47 0.00 -2.50 2.29 -1.03 0.00 0.00 179.24 178.46 1k8o n LYS 45 N -3.33 0.62 -3.84 4.15 2.85 -1.26 -5.02 118.16 112.33 1k8o n LYS 45 Ca -0.01 0.19 -0.12 0.00 -1.05 0.00 0.00 58.31 57.32 1k8o n LYS 45 Cb 0.28 -1.51 -0.13 0.00 -0.65 0.00 0.00 35.03 33.03 1k8o n LYS 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1k8o s ALA 46 N -2.51 -0.28 -0.13 0.58 0.00 -1.07 -5.15 121.76 113.20 1k8o s ALA 46 Ca -0.36 0.26 -0.07 0.00 0.00 0.00 0.00 51.96 51.79 1k8o s ALA 46 Cb 0.11 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1k8o s ALA 46 CO 0.56 -0.07 0.13 -1.12 0.00 0.00 0.00 175.76 175.25 1k8o s SER 47 N -0.11 6.28 0.04 0.00 0.01 -1.26 -0.93 113.70 117.73 1k8o s SER 47 Ca -0.02 0.41 0.05 0.00 1.31 0.00 0.00 55.95 57.71 1k8o s SER 47 Cb -0.02 -2.03 -0.02 0.00 0.21 0.00 0.00 66.02 64.16 1k8o s SER 47 CO 0.00 0.38 -0.15 -0.69 0.41 0.00 0.00 173.24 173.19 1k8o s VAL 48 N -0.83 1.17 -0.02 3.43 1.01 0.98 -4.95 120.40 121.19 1k8o s VAL 48 Ca 0.14 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1k8o s VAL 48 Cb -0.12 -1.06 0.03 0.00 0.00 0.00 0.00 36.38 35.23 1k8o s VAL 48 CO 0.03 0.01 0.02 0.42 0.00 0.00 0.00 175.10 175.59 1k8o s THR 49 N -0.86 -0.00 -0.43 3.92 -4.23 -1.26 -1.31 115.64 111.46 1k8o s THR 49 Ca 0.02 0.18 -0.17 0.00 -1.18 0.00 0.00 61.69 60.54 1k8o s THR 49 Cb -0.08 -0.12 0.03 0.00 1.34 0.00 0.00 72.50 73.67 1k8o s THR 49 CO 0.01 0.10 0.42 -0.63 -0.54 0.00 0.00 174.62 173.99 1k8o s ILE 50 N 1.02 5.12 0.59 2.99 -1.09 -0.11 -5.00 121.20 124.71 1k8o s ILE 50 Ca -0.09 -0.50 0.02 0.00 -2.23 0.00 0.00 60.65 57.85 1k8o s ILE 50 Cb -0.13 -4.05 0.06 0.00 -1.58 0.00 0.00 42.46 36.76 1k8o s ILE 50 CO -0.03 -0.46 0.82 -0.89 -1.23 0.00 0.00 174.94 173.15 1k8o s THR 51 N 2.04 2.51 -0.08 2.92 2.01 -1.26 -2.48 115.64 121.30 1k8o s THR 51 Ca 0.10 -0.70 -0.02 0.00 0.31 0.00 0.00 61.69 61.38 1k8o s THR 51 Cb -0.18 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 1k8o s THR 51 CO 0.12 0.00 -0.09 -0.24 -0.69 0.00 0.00 174.62 173.72 1k8o n SER 52 N -2.42 1.60 -0.13 3.53 2.88 -1.26 -4.81 113.62 113.01 1k8o n SER 52 Ca 0.10 0.05 -0.02 0.00 -1.33 0.00 0.00 58.87 57.68 1k8o n SER 52 Cb 0.60 -0.20 -0.01 0.00 -0.75 0.00 0.00 64.21 63.85 1k8o n SER 52 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1k8o n ARG 53 N -3.14 -1.12 -3.73 -1.46 -4.01 -1.26 -4.87 116.66 97.07 1k8o n ARG 53 Ca -0.15 0.38 0.02 0.00 -1.04 0.00 0.00 57.85 57.05 1k8o n ARG 53 Cb 0.63 -4.27 0.00 0.00 -3.04 0.00 0.00 32.46 25.78 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 -1.56 -0.02 -0.23 2.89 2.02 -1.26 -4.85 117.35 114.34 1k8o s TYR 54 Ca 0.00 -0.10 -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 -0.30 0.24 0.16 -1.57 0.00 0.00 175.55 174.08 1k8o s ASP 55 N -3.21 6.21 0.23 2.29 1.47 -1.26 -3.26 116.67 119.13 1k8o s ASP 55 Ca 0.18 0.23 0.03 0.00 1.18 0.00 0.00 52.55 54.17 1k8o s ASP 55 Cb 0.03 -2.15 -0.05 0.00 -0.34 0.00 0.00 42.92 40.42 1k8o s ASP 55 CO -0.03 0.01 0.02 -0.83 0.68 0.00 0.00 175.17 175.02 1k8o s GLY 56 N 1.10 1.56 -0.25 2.12 0.00 -0.79 -4.80 107.32 106.25 1k8o s GLY 56 Ca 0.11 -1.77 -0.08 0.00 0.00 0.00 0.00 44.72 42.98 1k8o s GLY 56 CO 0.06 -1.64 0.10 0.14 0.00 0.00 0.00 173.10 171.76 1k8o s VAL 57 N -3.51 4.67 -0.21 1.40 1.01 -0.92 0.15 120.40 122.99 1k8o s VAL 57 Ca 0.30 -0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.12 1k8o s VAL 57 Cb 0.06 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 1k8o s VAL 57 CO 0.09 0.33 0.15 -0.63 0.00 0.00 0.00 175.10 175.04 1k8o s ILE 58 N 1.47 5.39 -0.20 2.22 1.01 0.34 -0.85 121.20 130.58 1k8o s ILE 58 Ca 0.06 0.21 0.12 0.00 0.00 0.00 0.00 60.65 61.04 1k8o s ILE 58 Cb -0.15 -3.49 -0.23 0.00 0.01 0.00 0.00 42.46 38.60 1k8o s ILE 58 CO 0.05 0.41 0.07 1.17 0.00 0.00 0.00 174.94 176.64 1k8o n LYS 59 N 3.76 0.68 -3.51 2.79 4.81 -0.96 0.11 118.16 125.84 1k8o n LYS 59 Ca -0.15 0.07 -0.14 0.00 -0.87 0.00 0.00 58.31 57.22 1k8o n LYS 59 Cb 0.52 -1.56 -0.04 0.00 0.02 0.00 0.00 35.03 33.97 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 -2.51 1.13 -0.00 1.64 0.00 -1.26 -2.01 119.74 116.72 1k8o s LYS 60 Ca -0.16 -0.19 0.01 0.00 0.00 0.00 0.00 55.97 55.63 1k8o s LYS 60 Cb 0.07 0.52 -0.00 0.00 0.00 0.00 0.00 37.83 38.42 1k8o s LYS 60 CO 0.77 -0.43 -0.05 -0.51 0.00 0.00 0.00 175.35 175.13 1k8o s LEU 61 N -2.04 2.02 -0.09 2.77 1.43 -1.26 -3.82 118.68 117.69 1k8o s LEU 61 Ca -0.05 -0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 52.92 1k8o s LEU 61 Cb -0.01 -0.22 -0.05 0.00 0.03 0.00 0.00 46.19 45.95 1k8o s LEU 61 CO -0.03 0.04 -0.10 0.00 0.23 0.00 0.00 176.35 176.49 1k8o n TYR 62 N 2.87 0.00 -3.51 0.29 9.36 -1.21 -4.97 117.16 119.99 1k8o n TYR 62 Ca -0.13 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.71 1k8o n TYR 62 Cb 0.58 -0.34 -0.06 0.00 -0.63 0.00 0.00 39.34 38.89 1k8o n TYR 62 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 1k8o s TYR 63 N -2.17 3.61 0.15 2.98 2.02 -1.26 -5.03 117.35 117.65 1k8o s TYR 63 Ca -0.12 0.82 0.01 0.00 -0.37 0.00 0.00 57.07 57.41 1k8o s TYR 63 Cb 0.04 -2.31 0.01 0.00 -0.40 0.00 0.00 41.96 39.30 1k8o s TYR 63 CO 0.18 0.46 0.11 0.09 -1.57 0.00 0.00 175.55 174.82 1k8o n ASN 64 N 2.63 1.54 0.31 2.29 4.13 -1.26 -4.94 115.26 119.96 1k8o n ASN 64 Ca -0.13 -1.53 0.18 0.00 1.68 0.00 0.00 54.58 54.78 1k8o n ASN 64 Cb 0.52 -0.00 0.94 0.00 -1.54 0.00 0.00 39.78 39.70 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 -1.95 -2.18 115.31 118.66 1k8o h LEU 65 Ca -0.10 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.63 1k8o h LEU 65 Cb 0.35 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.05 1k8o h LEU 65 CO 0.15 0.00 -2.03 0.47 -1.08 0.00 0.00 178.44 175.96 1k8o n ASP 66 N -3.07 1.07 -4.81 -0.43 9.92 -1.26 -4.12 116.55 113.85 1k8o n ASP 66 Ca -0.02 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 53.91 1k8o n ASP 66 Cb 0.29 1.09 -0.02 0.00 -0.64 0.00 0.00 41.12 41.84 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 -4.74 6.23 -0.11 -2.24 1.11 -0.82 -4.84 116.67 111.26 1k8o s ASP 67 Ca -0.08 1.79 -0.04 0.00 0.18 0.00 0.00 52.55 54.41 1k8o s ASP 67 Cb 0.06 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.48 1k8o s ASP 67 CO 0.67 -0.86 0.02 -0.63 1.18 0.00 0.00 175.17 175.55 1k8o s ILE 68 N -2.32 4.50 0.09 0.77 -1.09 -1.26 -2.68 121.20 119.21 1k8o s ILE 68 Ca 0.64 -0.17 0.03 0.00 -2.23 0.00 0.00 60.65 58.92 1k8o s ILE 68 Cb -0.14 -2.93 -0.04 0.00 -1.58 0.00 0.00 42.46 37.77 1k8o s ILE 68 CO 0.28 0.57 0.12 0.00 -1.23 0.00 0.00 174.94 174.69 1k8o s ALA 69 N -0.59 3.67 0.09 9.38 0.00 0.20 -4.90 121.76 129.62 1k8o s ALA 69 Ca 0.10 -1.01 0.07 0.00 0.00 0.00 0.00 51.96 51.11 1k8o s ALA 69 Cb -0.12 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 1k8o s ALA 69 CO 0.02 0.71 -0.09 0.71 0.00 0.00 0.00 175.76 177.12 1k8o s TYR 70 N -1.49 2.77 0.15 0.00 1.51 -1.26 -2.89 117.35 116.14 1k8o s TYR 70 Ca 0.31 -0.14 -0.26 0.00 -1.01 0.00 0.00 57.07 55.97 1k8o s TYR 70 Cb -0.12 -1.46 -0.07 0.00 -0.11 0.00 0.00 41.96 40.20 1k8o s TYR 70 CO 0.24 0.42 0.82 0.54 -1.11 0.00 0.00 175.55 176.46 1k8o s VAL 71 N -1.20 4.41 0.00 0.71 0.11 -1.26 -4.03 120.40 119.13 1k8o s VAL 71 Ca 0.21 1.78 0.00 0.00 -2.93 0.00 0.00 61.98 61.05 1k8o s VAL 71 Cb -0.11 -4.18 0.00 0.00 -1.53 0.00 0.00 36.38 30.56 1k8o s VAL 71 CO 0.14 0.47 0.00 0.61 -3.33 0.00 0.00 175.10 172.98 1k8o n GLY 72 N 1.81 1.26 2.97 6.54 0.00 -1.26 -4.72 105.19 111.78 1k8o n GLY 72 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.14 0.13 0.45 1.61 -0.14 -1.26 -5.12 119.74 115.28 1k8o s LYS 73 Ca 0.00 0.43 -0.23 0.00 -1.36 0.00 0.00 55.97 54.81 1k8o s LYS 73 Cb 0.00 -0.16 -0.08 0.00 -1.68 0.00 0.00 37.83 35.92 1k8o s LYS 73 CO 0.00 -0.16 1.12 -2.14 -0.76 0.00 0.00 175.35 173.41 1k8o s PRO 74 N 1.19 3.84 -0.01 -1.68 0.02 -1.26 -4.07 135.00 133.03 1k8o s PRO 74 Ca -0.09 1.66 0.11 0.00 0.02 0.00 0.00 61.00 62.71 1k8o s PRO 74 Cb -0.11 -2.39 -0.15 0.00 0.02 0.00 0.00 34.50 31.87 1k8o s PRO 74 CO -0.07 -0.46 0.37 1.47 -0.33 0.00 0.00 177.00 177.98 1k8o n LEU 75 N -0.47 0.27 -4.08 -5.54 -0.00 0.16 -4.90 117.00 102.45 1k8o n LEU 75 Ca 0.07 -0.26 -0.09 0.00 -0.00 0.00 0.00 56.01 55.73 1k8o n LEU 75 Cb 0.49 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.81 1k8o n LEU 75 CO 0.46 0.07 -0.37 0.54 -0.00 0.00 0.00 177.39 178.09 1k8o s VAL 76 N -2.41 0.32 -0.15 1.47 0.11 -1.13 -3.34 120.40 115.27 1k8o s VAL 76 Ca 0.00 -1.55 0.00 0.00 -2.93 0.00 0.00 61.98 57.51 1k8o s VAL 76 Cb 0.08 -1.17 0.02 0.00 -1.53 0.00 0.00 36.38 33.78 1k8o s VAL 76 CO 0.47 -0.80 -0.15 -1.81 -3.33 0.00 0.00 175.10 169.48 1k8o s ASP 77 N -2.47 2.69 0.03 3.54 1.11 -1.25 -1.38 116.67 118.93 1k8o s ASP 77 Ca 0.01 -0.49 0.01 0.00 0.18 0.00 0.00 52.55 52.26 1k8o s ASP 77 Cb 0.01 -1.19 -0.02 0.00 1.07 0.00 0.00 42.92 42.80 1k8o s ASP 77 CO -0.06 -0.05 -0.05 -0.63 1.18 0.00 0.00 175.17 175.56 1k8o s ILE 78 N 1.44 0.31 -0.37 0.77 1.09 0.51 -2.25 121.20 122.71 1k8o s ILE 78 Ca 0.04 -0.94 -0.13 0.00 -1.10 0.00 0.00 60.65 58.52 1k8o s ILE 78 Cb -0.13 -0.41 -0.00 0.00 -1.06 0.00 0.00 42.46 40.86 1k8o s ILE 78 CO -0.10 -0.41 0.26 -1.61 -0.10 0.00 0.00 174.94 172.97 1k8o s GLU 79 N -1.43 3.28 0.06 2.79 2.02 -0.03 0.19 118.70 125.58 1k8o s GLU 79 Ca -0.12 -0.80 -0.03 0.00 0.02 0.00 0.00 54.97 54.04 1k8o s GLU 79 Cb -0.09 -3.86 -0.03 0.00 0.10 0.00 0.00 34.13 30.25 1k8o s GLU 79 CO -0.00 -0.56 0.03 0.95 0.02 0.00 0.00 175.26 175.70 1k8o s THR 80 N 1.70 0.19 0.41 3.63 -4.23 -1.26 -2.16 115.64 113.92 1k8o s THR 80 Ca 0.06 -1.57 -0.26 0.00 -1.18 0.00 0.00 61.69 58.74 1k8o s THR 80 Cb -0.18 -1.38 -0.10 0.00 1.34 0.00 0.00 72.50 72.18 1k8o s THR 80 CO 0.10 -0.87 1.27 -0.62 -0.54 0.00 0.00 174.62 173.97 1k8o n GLU 81 N 0.18 1.96 -1.62 3.99 4.71 -1.26 -4.75 120.64 123.85 1k8o n GLU 81 Ca -0.15 0.69 -0.65 0.00 -0.01 0.00 0.00 57.16 57.05 1k8o n GLU 81 Cb 0.61 -2.38 -0.10 0.00 -1.01 0.00 0.00 31.44 28.56 1k8o n GLU 81 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1k8o n ALA 82 N -0.14 -0.83 -2.73 0.62 0.00 -1.26 -4.94 120.51 111.23 1k8o n ALA 82 Ca 0.06 0.40 -0.32 0.00 0.00 0.00 0.00 53.44 53.59 1k8o n ALA 82 Cb 0.39 -2.00 -0.16 0.00 0.00 0.00 0.00 19.45 17.68 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 3.86 2.20 0.27 0.00 1.02 -1.26 -4.99 118.68 119.77 1k8o s LEU 83 Ca 1.08 -0.46 -0.01 0.00 0.02 0.00 0.00 54.13 54.77 1k8o s LEU 83 Cb -1.45 -1.41 0.58 0.00 0.02 0.00 0.00 46.19 43.93 1k8o s LEU 83 CO 0.76 0.25 1.72 0.07 0.02 0.00 0.00 176.35 179.17 1k8o h LYS 84 N 6.03 0.42 -0.98 1.70 2.10 -1.93 1.26 116.57 125.17 1k8o h LYS 84 Ca -0.33 -0.03 0.25 0.00 -2.00 0.00 0.00 60.65 58.54 1k8o h LYS 84 Cb 1.18 -0.09 -0.18 0.00 -0.90 0.00 0.00 32.23 32.23 1k8o h LYS 84 CO 0.48 0.28 -0.04 0.38 -2.00 0.00 0.00 179.45 178.55 1k8o h ASP 85 N 0.43 -0.58 0.00 7.07 3.04 -2.01 -3.08 116.42 121.30 1k8o h ASP 85 Ca 0.48 0.28 -0.00 0.00 -3.24 0.00 0.00 57.03 54.55 1k8o h ASP 85 Cb 0.81 0.51 -0.00 0.00 -1.04 0.00 0.00 39.33 39.61 1k8o h ASP 85 CO -0.46 -0.34 -1.03 -0.11 -2.04 0.00 0.00 179.24 175.26 1k8o n LEU 86 N -5.52 0.00 0.00 0.15 7.94 -0.95 -5.20 117.00 113.43 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 0.69 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.64 1k8o n LEU 86 CO -0.07 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 175.59