#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqk s LYS 23 N 0.00 4.08 0.60 0.11 -2.85 -1.26 -5.00 119.74 115.42 2oqk s LYS 23 Ca 0.00 1.83 -0.19 0.00 -1.00 0.00 0.00 55.97 56.61 2oqk s LYS 23 Cb 0.00 -2.69 -0.03 0.00 -2.06 0.00 0.00 37.83 33.05 2oqk s LYS 23 CO 0.00 -0.30 1.28 -0.98 0.10 0.00 0.00 175.35 175.45 2oqk s ARG 24 N -2.28 2.85 0.36 1.78 1.70 -1.26 -4.94 118.95 117.17 2oqk s ARG 24 Ca 0.57 2.02 -0.28 0.00 -0.47 0.00 0.00 55.73 57.56 2oqk s ARG 24 Cb -0.30 -1.98 -0.11 0.00 -0.57 0.00 0.00 34.95 31.99 2oqk s ARG 24 CO 0.38 -1.35 1.41 -1.83 -1.08 0.00 0.00 175.30 172.84 2oqk s GLU 25 N -3.23 4.21 -0.18 3.89 -1.05 -1.26 -4.93 118.70 116.15 2oqk s GLU 25 Ca 0.78 2.42 -0.29 0.00 -0.15 0.00 0.00 54.97 57.73 2oqk s GLU 25 Cb -0.36 -3.01 -0.01 0.00 -0.44 0.00 0.00 34.13 30.31 2oqk s GLU 25 CO 0.39 -0.39 1.28 -1.17 0.95 0.00 0.00 175.26 176.32 2oqk s LEU 26 N -1.97 4.15 -0.23 1.83 2.96 -1.26 -5.00 118.68 119.16 2oqk s LEU 26 Ca 0.51 1.65 -0.24 0.00 -0.22 0.00 0.00 54.13 55.82 2oqk s LEU 26 Cb -0.44 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.71 2oqk s LEU 26 CO 0.59 -0.80 0.82 -0.69 -1.32 0.00 0.00 176.35 174.94 2oqk s VAL 27 N 3.62 4.85 0.35 1.68 1.01 -1.26 -5.06 120.40 125.60 2oqk s VAL 27 Ca 0.55 1.56 -0.02 0.00 0.00 0.00 0.00 61.98 64.07 2oqk s VAL 27 Cb -0.21 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 2oqk s VAL 27 CO 0.16 -0.05 0.59 -0.36 0.00 0.00 0.00 175.10 175.44 2oqk s PHE 28 N 2.67 3.51 0.58 5.22 0.08 -1.26 -5.07 117.98 123.71 2oqk s PHE 28 Ca 0.35 0.50 -0.18 0.00 0.12 0.00 0.00 56.93 57.72 2oqk s PHE 28 Cb -0.16 -2.02 -0.04 0.00 -0.57 0.00 0.00 43.02 40.24 2oqk s PHE 28 CO 0.08 0.07 1.14 -1.59 -0.10 0.00 0.00 175.22 174.83 2oqk s LYS 29 N -4.17 3.12 0.23 0.44 -2.85 -1.26 -5.06 119.74 110.18 2oqk s LYS 29 Ca 0.42 1.61 0.01 0.00 -1.00 0.00 0.00 55.97 57.02 2oqk s LYS 29 Cb -0.10 -1.97 -0.00 0.00 -2.06 0.00 0.00 37.83 33.69 2oqk s LYS 29 CO 0.36 -1.04 0.05 0.39 0.10 0.00 0.00 175.35 175.20 2oqk n GLU 30 N -1.65 1.00 -1.69 1.78 1.02 -1.26 -5.04 120.64 114.79 2oqk n GLU 30 Ca 0.12 -1.81 -0.43 0.00 -0.02 0.00 0.00 57.16 55.02 2oqk n GLU 30 Cb 0.51 0.78 -0.02 0.00 -0.02 0.00 0.00 31.44 32.70 2oqk n GLU 30 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2oqk n GLU 31 N -0.54 2.14 -1.02 3.49 0.00 -1.26 -2.00 120.64 121.45 2oqk n GLU 31 Ca -0.06 0.76 -0.01 0.00 0.00 0.00 0.00 57.16 57.85 2oqk n GLU 31 Cb 0.32 -2.39 -0.00 0.00 0.00 0.00 0.00 31.44 29.36 2oqk n GLU 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2oqk n GLY 32 N 1.51 0.48 3.17 8.31 0.00 -1.26 -5.03 105.19 112.38 2oqk n GLY 32 Ca 0.08 -0.48 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 2oqk n GLY 32 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2oqk s GLN 33 N -1.11 0.82 0.02 1.61 -0.21 -0.85 -0.74 119.66 119.21 2oqk s GLN 33 Ca 0.00 -1.09 -0.02 0.00 0.02 0.00 0.00 55.36 54.26 2oqk s GLN 33 Cb 0.00 -0.56 -0.02 0.00 1.00 0.00 0.00 33.01 33.44 2oqk s GLN 33 CO 0.00 0.09 0.02 -1.21 -2.12 0.00 0.00 175.29 172.07 2oqk s GLU 34 N -2.53 0.41 0.45 2.91 0.41 -0.30 -4.62 118.70 115.44 2oqk s GLU 34 Ca 0.03 -0.66 -0.21 0.00 -0.41 0.00 0.00 54.97 53.72 2oqk s GLU 34 Cb -0.05 0.15 -0.10 0.00 -1.78 0.00 0.00 34.13 32.36 2oqk s GLU 34 CO 0.00 -0.08 1.00 0.71 -0.49 0.00 0.00 175.26 176.40 2oqk s TYR 35 N -1.88 3.15 0.19 1.61 2.02 -1.26 -0.90 117.35 120.28 2oqk s TYR 35 Ca -0.12 1.60 -0.06 0.00 -0.37 0.00 0.00 57.07 58.12 2oqk s TYR 35 Cb -0.06 -2.98 -0.02 0.00 -0.40 0.00 0.00 41.96 38.49 2oqk s TYR 35 CO -0.02 -0.51 0.25 0.20 -1.57 0.00 0.00 175.55 173.90 2oqk s GLY 36 N -2.02 0.84 -0.10 0.71 0.00 -0.14 -1.09 107.32 105.52 2oqk s GLY 36 Ca 0.64 -1.20 0.01 0.00 0.00 0.00 0.00 44.72 44.18 2oqk s GLY 36 CO 0.18 -1.02 -0.13 1.62 0.00 0.00 0.00 173.10 173.74 2oqk s GLN 37 N -4.05 1.98 0.12 2.90 0.74 -0.12 -0.77 119.66 120.46 2oqk s GLN 37 Ca 0.26 -0.47 -0.31 0.00 0.05 0.00 0.00 55.36 54.88 2oqk s GLN 37 Cb 0.04 -1.73 -0.09 0.00 1.10 0.00 0.00 33.01 32.33 2oqk s GLN 37 CO 0.06 -0.08 1.56 0.08 -0.55 0.00 0.00 175.29 176.36 2oqk s VAL 38 N 1.04 2.93 -0.23 1.34 1.01 -0.09 -1.29 120.40 125.11 2oqk s VAL 38 Ca -0.06 0.58 -0.12 0.00 0.00 0.00 0.00 61.98 62.37 2oqk s VAL 38 Cb -0.15 -3.37 -0.17 0.00 0.00 0.00 0.00 36.38 32.69 2oqk s VAL 38 CO -0.02 0.03 -0.05 0.00 0.00 0.00 0.00 175.10 175.06 2oqk n GLN 39 N 4.58 0.62 0.00 2.72 1.13 0.69 -0.11 117.38 127.01 2oqk n GLN 39 Ca 0.14 0.33 0.00 0.00 -1.94 0.00 0.00 57.00 55.53 2oqk n GLN 39 Cb 0.40 -1.61 0.00 0.00 0.11 0.00 0.00 30.24 29.14 2oqk n GLN 39 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 2oqk n ARG 40 N -3.99 0.00 0.00 -1.09 1.85 -1.17 -4.71 116.66 107.55 2oqk n ARG 40 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.42 2oqk n ARG 40 Cb 0.87 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.28 2oqk n ARG 40 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2oqk n LEU 42 N 0.00 0.00 -0.36 2.89 4.77 0.09 -1.23 117.00 123.15 2oqk n LEU 42 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 2oqk n LEU 42 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2oqk n LEU 42 CO 0.00 0.01 -0.08 0.61 -1.33 0.00 0.00 177.39 176.59 2oqk n GLY 43 N 0.00 -1.66 3.04 -0.72 0.00 -1.19 -4.84 105.19 99.81 2oqk n GLY 43 Ca 0.00 -1.43 -0.21 0.00 0.00 0.00 0.00 46.02 44.38 2oqk n GLY 43 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2oqk n ASN 44 N -2.21 -4.78 -3.62 1.61 6.94 -1.26 -2.16 115.26 109.78 2oqk n ASN 44 Ca -0.00 -0.24 -0.26 0.00 -0.02 0.00 0.00 54.58 54.06 2oqk n ASN 44 Cb 0.17 -3.92 0.06 0.00 -2.36 0.00 0.00 39.78 33.72 2oqk n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2oqk n GLY 45 N -1.24 -0.53 3.33 4.83 0.00 -1.26 -4.94 105.19 105.37 2oqk n GLY 45 Ca -0.09 0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 2oqk n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oqk s ARG 46 N -6.34 1.27 0.07 1.61 0.52 -0.92 -0.52 118.95 114.65 2oqk s ARG 46 Ca 0.58 -1.53 -0.07 0.00 -0.52 0.00 0.00 55.73 54.18 2oqk s ARG 46 Cb -0.27 -1.06 -0.01 0.00 0.52 0.00 0.00 34.95 34.13 2oqk s ARG 46 CO 0.71 0.18 0.15 -0.48 0.02 0.00 0.00 175.30 175.88 2oqk s LEU 47 N -3.18 1.61 -0.16 2.53 0.05 -0.55 -0.73 118.68 118.25 2oqk s LEU 47 Ca 0.20 -0.64 -0.15 0.00 0.05 0.00 0.00 54.13 53.59 2oqk s LEU 47 Cb -0.01 0.85 -0.04 0.00 -2.05 0.00 0.00 46.19 44.94 2oqk s LEU 47 CO 0.06 -0.66 0.33 -1.81 -0.55 0.00 0.00 176.35 173.72 2oqk s ASP 48 N -2.66 6.46 -0.04 1.48 1.01 -0.37 -0.44 116.67 122.11 2oqk s ASP 48 Ca 0.03 0.54 0.06 0.00 0.71 0.00 0.00 52.55 53.88 2oqk s ASP 48 Cb 0.04 -2.20 -0.01 0.00 1.01 0.00 0.00 42.92 41.75 2oqk s ASP 48 CO -0.09 0.06 -0.22 0.00 0.21 0.00 0.00 175.17 175.13 2oqk s ALA 49 N 0.63 1.88 -0.30 5.23 0.00 -0.21 -0.22 121.76 128.77 2oqk s ALA 49 Ca 0.18 -0.91 -0.23 0.00 0.00 0.00 0.00 51.96 51.00 2oqk s ALA 49 Cb -0.14 -0.56 -0.00 0.00 0.00 0.00 0.00 23.12 22.42 2oqk s ALA 49 CO 0.05 0.38 0.76 -0.47 0.00 0.00 0.00 175.76 176.49 2oqk s TYR 50 N -0.20 3.21 0.06 0.00 5.04 -0.41 -0.94 117.35 124.11 2oqk s TYR 50 Ca -0.00 0.81 -0.05 0.00 -2.44 0.00 0.00 57.07 55.39 2oqk s TYR 50 Cb -0.12 -3.16 -0.05 0.00 0.35 0.00 0.00 41.96 38.98 2oqk s TYR 50 CO 0.02 -0.53 0.29 0.00 -1.34 0.00 0.00 175.55 173.99 2oqk n PHE 52 N 0.64 0.00 1.33 0.00 3.72 -0.25 -0.83 117.46 122.07 2oqk n PHE 52 Ca -0.07 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.40 2oqk n PHE 52 Cb 0.52 0.00 0.27 0.00 -0.94 0.00 0.00 39.48 39.33 2oqk n PHE 52 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2oqk n ASP 53 N -0.79 1.26 0.00 4.37 5.75 -1.26 -4.93 116.55 120.96 2oqk n ASP 53 Ca 0.11 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 2oqk n ASP 53 Cb 0.05 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 2oqk n ASP 53 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2oqk n GLY 54 N 0.97 0.72 3.34 6.12 0.00 -0.01 -5.06 105.19 111.27 2oqk n GLY 54 Ca 0.12 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 2oqk n GLY 54 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2oqk s GLN 55 N -0.56 3.33 0.12 1.61 2.00 -1.15 -4.93 119.66 120.09 2oqk s GLN 55 Ca 0.00 -0.71 -0.30 0.00 -2.00 0.00 0.00 55.36 52.35 2oqk s GLN 55 Cb 0.00 -2.61 -0.06 0.00 0.80 0.00 0.00 33.01 31.13 2oqk s GLN 55 CO 0.00 0.17 1.07 0.15 -0.50 0.00 0.00 175.29 176.18 2oqk s LYS 56 N 0.45 4.59 -0.02 1.67 1.02 -1.26 -0.87 119.74 125.32 2oqk s LYS 56 Ca -0.10 1.63 0.02 0.00 0.02 0.00 0.00 55.97 57.54 2oqk s LYS 56 Cb -0.16 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 33.82 2oqk s LYS 56 CO 0.05 0.04 -0.08 1.03 -0.92 0.00 0.00 175.35 175.47 2oqk s ARG 57 N 0.10 0.84 -0.39 1.68 0.52 -0.12 -4.68 118.95 116.91 2oqk s ARG 57 Ca 0.51 -0.25 -0.22 0.00 -0.52 0.00 0.00 55.73 55.24 2oqk s ARG 57 Cb -0.27 -0.80 0.01 0.00 0.52 0.00 0.00 34.95 34.41 2oqk s ARG 57 CO 0.32 0.09 0.71 -1.17 0.02 0.00 0.00 175.30 175.27 2oqk s LEU 58 N 0.24 4.24 -0.10 2.53 0.20 0.07 -1.04 118.68 124.82 2oqk s LEU 58 Ca -0.03 0.10 0.01 0.00 0.69 0.00 0.00 54.13 54.90 2oqk s LEU 58 Cb -0.08 -2.89 -0.02 0.00 -0.43 0.00 0.00 46.19 42.77 2oqk s LEU 58 CO 0.00 -0.73 -0.13 0.00 -0.29 0.00 0.00 176.35 175.21 2oqk s HIS 60 N -0.05 3.42 -0.21 0.00 2.46 -0.56 -1.49 115.29 118.87 2oqk s HIS 60 Ca -0.03 1.34 -0.09 0.00 0.47 0.00 0.00 55.06 56.75 2oqk s HIS 60 Cb -0.14 -3.44 -0.05 0.00 -0.13 0.00 0.00 32.58 28.82 2oqk s HIS 60 CO 0.04 -1.31 0.11 0.42 -2.47 0.00 0.00 174.74 171.53 2oqk s ILE 61 N 0.48 5.13 0.30 0.89 1.01 0.32 -1.47 121.20 127.85 2oqk s ILE 61 Ca 0.56 0.09 -0.28 0.00 0.00 0.00 0.00 60.65 61.02 2oqk s ILE 61 Cb -0.32 -3.35 -0.09 0.00 0.01 0.00 0.00 42.46 38.71 2oqk s ILE 61 CO 0.33 0.41 1.02 -0.13 0.00 0.00 0.00 174.94 176.57 2oqk s ARG 62 N 0.64 4.61 0.27 2.79 0.52 -1.26 -4.88 118.95 121.64 2oqk s ARG 62 Ca 0.06 1.58 0.00 0.00 -0.52 0.00 0.00 55.73 56.85 2oqk s ARG 62 Cb -0.12 -3.03 0.55 0.00 0.52 0.00 0.00 34.95 32.87 2oqk s ARG 62 CO 0.01 0.25 1.78 0.78 0.02 0.00 0.00 175.30 178.14 2oqk h GLY 63 N 3.57 1.48 -1.14 -3.53 0.00 -1.98 -2.38 103.07 99.08 2oqk h GLY 63 Ca -0.46 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.56 2oqk h GLY 63 CO 0.66 0.01 0.00 1.17 0.00 0.00 0.00 176.54 178.38 2oqk n LYS 64 N -4.80 0.09 0.00 4.80 4.81 -1.26 -2.12 118.16 119.69 2oqk n LYS 64 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 2oqk n LYS 64 Cb 0.42 -1.11 0.00 0.00 0.02 0.00 0.00 35.03 34.37 2oqk n LYS 64 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2oqk n ARG 66 N 0.53 0.00 -0.13 1.64 1.74 -0.90 -2.67 116.66 116.87 2oqk n ARG 66 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 2oqk n ARG 66 Cb 0.03 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.52 2oqk n ARG 66 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2oqk h LYS 67 N 0.00 0.89 0.00 5.56 6.56 -1.71 -3.34 116.57 124.52 2oqk h LYS 67 Ca 0.00 -0.36 -0.25 0.00 -1.06 0.00 0.00 60.65 58.99 2oqk h LYS 67 Cb 0.00 -0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 31.57 2oqk h LYS 67 CO 0.00 1.00 -1.63 0.36 -2.06 0.00 0.00 179.45 177.12 2oqk n LYS 68 N -4.12 0.63 -4.14 3.15 2.85 -1.09 -4.99 118.16 110.45 2oqk n LYS 68 Ca 0.00 0.25 -0.12 0.00 -1.05 0.00 0.00 58.31 57.40 2oqk n LYS 68 Cb 0.43 -1.78 -0.11 0.00 -0.65 0.00 0.00 35.03 32.92 2oqk n LYS 68 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2oqk s VAL 69 N -2.72 0.69 0.03 0.58 -7.23 -1.26 -5.13 120.40 105.36 2oqk s VAL 69 Ca -0.04 -1.61 -0.22 0.00 -1.81 0.00 0.00 61.98 58.29 2oqk s VAL 69 Cb 0.08 -1.28 -0.06 0.00 0.56 0.00 0.00 36.38 35.68 2oqk s VAL 69 CO 0.82 -0.66 0.67 0.26 -0.31 0.00 0.00 175.10 175.88 2oqk s TRP 70 N -2.70 3.72 -0.16 2.82 0.52 -1.26 -4.52 118.94 117.37 2oqk s TRP 70 Ca 0.04 1.33 0.01 0.00 0.02 0.00 0.00 56.10 57.50 2oqk s TRP 70 Cb -0.01 -2.69 0.00 0.00 -1.15 0.00 0.00 33.47 29.62 2oqk s TRP 70 CO -0.02 0.35 -0.18 0.08 0.02 0.00 0.00 176.95 177.20 2oqk s VAL 71 N -0.25 2.41 0.10 4.03 1.01 -1.26 -5.12 120.40 121.32 2oqk s VAL 71 Ca 0.34 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.48 2oqk s VAL 71 Cb -0.19 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 2oqk s VAL 71 CO 0.20 0.53 -0.06 0.20 0.00 0.00 0.00 175.10 175.97 2oqk s ASN 72 N 0.90 1.08 0.27 3.32 0.01 -1.26 -5.09 114.94 114.17 2oqk s ASN 72 Ca -0.04 -1.02 -0.29 0.00 -0.71 0.00 0.00 52.86 50.80 2oqk s ASN 72 Cb -0.15 0.11 -0.14 0.00 0.41 0.00 0.00 41.25 41.48 2oqk s ASN 72 CO -0.02 -0.49 1.12 -2.65 -1.51 0.00 0.00 177.10 173.55 2oqk n PRO 73 N -0.04 1.49 0.00 -0.60 -0.02 -1.26 -1.69 135.00 132.88 2oqk n PRO 73 Ca -0.12 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2oqk n PRO 73 Cb 0.61 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 2oqk n PRO 73 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oqk n GLY 74 N 1.44 3.21 3.75 -1.23 0.00 0.84 -4.97 105.19 108.24 2oqk n GLY 74 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 2oqk n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2oqk s ASP 75 N -0.86 5.41 -0.12 1.61 1.01 -0.68 -4.59 116.67 118.45 2oqk s ASP 75 Ca 0.00 2.78 -0.15 0.00 0.71 0.00 0.00 52.55 55.89 2oqk s ASP 75 Cb 0.00 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.24 2oqk s ASP 75 CO 0.00 -1.48 0.35 -0.63 0.21 0.00 0.00 175.17 173.62 2oqk s ILE 76 N -1.29 5.23 0.10 0.77 -1.09 -1.26 -0.91 121.20 122.75 2oqk s ILE 76 Ca 0.69 0.68 0.04 0.00 -2.23 0.00 0.00 60.65 59.83 2oqk s ILE 76 Cb -0.41 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 36.76 2oqk s ILE 76 CO 0.49 0.43 -0.10 0.68 -1.23 0.00 0.00 174.94 175.20 2oqk s VAL 77 N 0.11 0.98 -0.22 2.92 -7.23 0.05 -0.72 120.40 116.28 2oqk s VAL 77 Ca 0.20 -1.69 -0.09 0.00 -1.81 0.00 0.00 61.98 58.58 2oqk s VAL 77 Cb -0.14 -1.43 -0.05 0.00 0.56 0.00 0.00 36.38 35.33 2oqk s VAL 77 CO 0.07 -0.58 0.12 -0.22 -0.31 0.00 0.00 175.10 174.19 2oqk s LEU 78 N -2.53 3.99 -0.16 1.32 2.96 -0.18 -0.97 118.68 123.11 2oqk s LEU 78 Ca 0.07 0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 54.05 2oqk s LEU 78 Cb -0.02 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.60 2oqk s LEU 78 CO 0.00 0.10 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.36 2oqk s VAL 79 N 0.81 3.31 -0.18 1.68 1.01 -0.08 -0.45 120.40 126.50 2oqk s VAL 79 Ca 0.06 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.28 2oqk s VAL 79 Cb -0.13 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 2oqk s VAL 79 CO 0.02 0.49 0.65 -0.55 0.00 0.00 0.00 175.10 175.71 2oqk s SER 80 N 0.71 6.73 0.75 3.32 0.15 0.99 -1.15 113.70 125.20 2oqk s SER 80 Ca -0.04 0.89 -0.11 0.00 0.70 0.00 0.00 55.95 57.39 2oqk s SER 80 Cb -0.15 -2.36 0.04 0.00 -1.71 0.00 0.00 66.02 61.84 2oqk s SER 80 CO 0.02 -0.26 1.08 -0.76 1.20 0.00 0.00 173.24 174.52 2oqk s LEU 81 N 1.81 2.98 -0.23 3.45 1.43 0.08 -1.54 118.68 126.65 2oqk s LEU 81 Ca 0.30 1.66 -0.01 0.00 -1.03 0.00 0.00 54.13 55.05 2oqk s LEU 81 Cb -0.16 -4.41 0.02 0.00 0.03 0.00 0.00 46.19 41.67 2oqk s LEU 81 CO 0.11 -1.81 -0.09 -0.13 0.23 0.00 0.00 176.35 174.66 2oqk s ARG 82 N -4.99 2.89 0.37 1.70 0.52 -1.25 -4.87 118.95 113.32 2oqk s ARG 82 Ca 0.60 -0.93 0.13 0.00 -0.52 0.00 0.00 55.73 55.01 2oqk s ARG 82 Cb -0.16 -2.91 0.95 0.00 0.52 0.00 0.00 34.95 33.36 2oqk s ARG 82 CO 0.55 -0.35 1.81 -0.44 0.02 0.00 0.00 175.30 176.89 2oqk h ASP 83 N 8.00 0.56 0.31 0.23 3.32 -1.97 -2.63 116.42 124.24 2oqk h ASP 83 Ca -0.35 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.77 2oqk h ASP 83 Cb 1.12 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.63 2oqk h ASP 83 CO 0.58 0.20 -1.17 0.49 -1.72 0.00 0.00 179.24 177.62 2oqk n PHE 84 N -4.62 0.19 -3.62 4.55 3.72 -1.26 -4.68 117.46 111.73 2oqk n PHE 84 Ca 0.22 0.06 -0.29 0.00 -0.05 0.00 0.00 57.45 57.39 2oqk n PHE 84 Cb 0.68 -0.38 -0.12 0.00 -0.94 0.00 0.00 39.48 38.71 2oqk n PHE 84 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 2oqk s GLN 85 N -3.22 1.15 0.61 -1.08 -2.07 -0.99 -4.99 119.66 109.08 2oqk s GLN 85 Ca 0.03 -1.97 0.38 0.00 -1.82 0.00 0.00 55.36 51.97 2oqk s GLN 85 Cb 0.15 -2.05 1.92 0.00 -1.09 0.00 0.00 33.01 31.94 2oqk s GLN 85 CO 0.83 -1.22 2.20 0.22 -1.32 0.00 0.00 175.29 176.00 2oqk h ASP 86 N 6.52 0.00 0.09 12.60 3.58 -1.83 -1.02 116.42 136.36 2oqk h ASP 86 Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2oqk h ASP 86 Cb 0.92 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.97 2oqk h ASP 86 CO 0.43 0.02 0.00 -1.54 -2.88 0.00 0.00 179.24 175.27 2oqk n SER 87 N -3.19 0.00 -4.43 2.28 3.41 -1.26 -4.81 113.62 105.62 2oqk n SER 87 Ca -0.02 -0.79 -0.21 0.00 -0.26 0.00 0.00 58.87 57.59 2oqk n SER 87 Cb 0.17 -0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 63.97 2oqk n SER 87 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2oqk s LYS 88 N -2.10 1.56 0.15 4.33 1.02 -0.39 -0.75 119.74 123.56 2oqk s LYS 88 Ca 0.42 -1.78 -0.16 0.00 0.02 0.00 0.00 55.97 54.46 2oqk s LYS 88 Cb 0.20 -1.20 0.06 0.00 -0.52 0.00 0.00 37.83 36.37 2oqk s LYS 88 CO 0.36 0.06 0.78 0.41 -0.92 0.00 0.00 175.35 176.04 2oqk n GLY 89 N -0.59 0.79 2.95 -3.33 0.00 -0.79 -3.91 105.19 100.31 2oqk n GLY 89 Ca -0.06 -1.10 -0.21 0.00 0.00 0.00 0.00 46.02 44.65 2oqk n GLY 89 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2oqk s ASP 90 N -2.85 1.17 -0.16 1.61 1.01 -0.59 -1.50 116.67 115.36 2oqk s ASP 90 Ca 0.17 -0.18 -0.29 0.00 0.71 0.00 0.00 52.55 52.96 2oqk s ASP 90 Cb -0.02 -0.50 -0.00 0.00 1.01 0.00 0.00 42.92 43.40 2oqk s ASP 90 CO 0.04 -0.00 1.04 -0.63 0.21 0.00 0.00 175.17 175.83 2oqk s ILE 91 N 0.66 4.70 -0.13 0.77 -1.09 -0.54 -0.01 121.20 125.56 2oqk s ILE 91 Ca -0.10 2.01 0.17 0.00 -2.23 0.00 0.00 60.65 60.49 2oqk s ILE 91 Cb -0.13 -4.29 -0.24 0.00 -1.58 0.00 0.00 42.46 36.22 2oqk s ILE 91 CO 0.01 -0.08 0.36 -0.38 -1.23 0.00 0.00 174.94 173.63 2oqk n ILE 92 N 4.90 1.27 -3.61 2.92 2.08 0.40 -4.54 119.36 122.79 2oqk n ILE 92 Ca 0.10 -0.78 -0.04 0.00 0.56 0.00 0.00 62.75 62.59 2oqk n ILE 92 Cb 0.47 -0.59 -0.02 0.00 -0.75 0.00 0.00 39.64 38.75 2oqk n ILE 92 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 2oqk s LEU 93 N -5.58 -0.11 -0.12 1.39 0.05 -1.20 -4.98 118.68 108.14 2oqk s LEU 93 Ca -0.07 0.01 -0.01 0.00 0.05 0.00 0.00 54.13 54.11 2oqk s LEU 93 Cb 0.08 1.30 -0.02 0.00 -2.05 0.00 0.00 46.19 45.50 2oqk s LEU 93 CO 0.83 -0.18 -0.10 -0.75 -0.55 0.00 0.00 176.35 175.61 2oqk s LYS 94 N -2.22 3.27 0.18 1.48 2.20 -1.26 -1.01 119.74 122.38 2oqk s LYS 94 Ca 0.10 -0.62 -0.23 0.00 -0.36 0.00 0.00 55.97 54.85 2oqk s LYS 94 Cb -0.01 -2.67 -0.08 0.00 -1.51 0.00 0.00 37.83 33.56 2oqk s LYS 94 CO -0.04 0.34 0.75 0.71 -0.36 0.00 0.00 175.35 176.75 2oqk s TYR 95 N 0.05 3.83 0.79 4.03 2.02 0.10 -5.00 117.35 123.17 2oqk s TYR 95 Ca -0.03 1.55 -0.11 0.00 -0.37 0.00 0.00 57.07 58.11 2oqk s TYR 95 Cb -0.14 -2.71 0.06 0.00 -0.40 0.00 0.00 41.96 38.77 2oqk s TYR 95 CO 0.04 0.47 1.09 0.95 -1.57 0.00 0.00 175.55 176.52 2oqk s THR 96 N -1.26 3.29 0.21 -0.71 -4.23 -1.26 -4.58 115.64 107.10 2oqk s THR 96 Ca 0.37 0.42 -0.09 0.00 -1.18 0.00 0.00 61.69 61.21 2oqk s THR 96 Cb -0.21 -2.95 0.16 0.00 1.34 0.00 0.00 72.50 70.85 2oqk s THR 96 CO 0.24 -0.55 1.71 -0.65 -0.54 0.00 0.00 174.62 174.84 2oqk h PRO 97 N -1.15 0.29 -0.60 3.99 0.11 -1.98 0.17 132.00 132.83 2oqk h PRO 97 Ca -0.45 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.67 2oqk h PRO 97 Cb 1.24 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 2oqk h PRO 97 CO 0.53 0.19 0.38 -0.44 -0.21 0.00 0.00 178.00 178.45 2oqk h ASP 98 N 0.30 0.62 -0.59 -2.05 3.32 -1.99 -0.83 116.42 115.19 2oqk h ASP 98 Ca 0.32 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.33 2oqk h ASP 98 Cb 0.47 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 2oqk h ASP 98 CO -0.39 0.44 0.23 -0.33 -1.72 0.00 0.00 179.24 177.47 2oqk h GLU 99 N 0.75 0.89 -0.63 3.56 5.08 -1.70 -0.96 114.58 121.57 2oqk h GLU 99 Ca 0.24 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2oqk h GLU 99 Cb -0.00 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 2oqk h GLU 99 CO -0.09 0.77 0.37 0.00 -1.00 0.00 0.00 179.01 179.06 2oqk h ALA 100 N 1.08 0.82 -0.40 3.43 0.00 -0.33 0.17 119.26 124.03 2oqk h ALA 100 Ca 0.20 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2oqk h ALA 100 Cb 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2oqk h ALA 100 CO -0.01 0.09 0.03 0.00 0.00 0.00 0.00 179.25 179.36 2oqk h ARG 101 N 0.72 0.62 -0.30 0.00 3.08 -0.92 -1.46 114.38 116.12 2oqk h ARG 101 Ca 0.26 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2oqk h ARG 101 Cb 0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2oqk h ARG 101 CO -0.13 0.61 0.14 0.00 -1.07 0.00 0.00 179.97 179.53 2oqk h ALA 102 N 1.45 0.38 -0.68 0.04 0.00 -0.30 0.23 119.26 120.39 2oqk h ALA 102 Ca 0.13 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.06 2oqk h ALA 102 Cb 0.32 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.91 2oqk h ALA 102 CO 0.01 -0.05 0.23 -0.07 0.00 0.00 0.00 179.25 179.37 2oqk h LEU 103 N 0.34 0.18 -0.30 0.00 3.38 -0.30 0.88 115.31 119.50 2oqk h LEU 103 Ca 0.10 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 2oqk h LEU 103 Cb 0.12 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2oqk h LEU 103 CO -0.01 0.08 -0.03 0.50 0.09 0.00 0.00 178.44 179.07 2oqk h LYS 104 N 0.38 0.56 -0.52 1.13 3.64 -0.76 -0.53 116.57 120.47 2oqk h LYS 104 Ca 0.36 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 2oqk h LYS 104 Cb 0.52 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 2oqk h LYS 104 CO -0.38 0.72 0.21 1.03 -2.27 0.00 0.00 179.45 178.76 2oqk h SER 105 N 0.34 0.67 -0.01 4.20 0.87 -0.03 -1.49 113.55 118.10 2oqk h SER 105 Ca 0.08 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2oqk h SER 105 Cb 0.50 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2oqk h SER 105 CO 0.02 0.60 0.00 0.29 -0.53 0.00 0.00 176.83 177.21 2oqk n LYS 106 N -4.35 1.12 -0.97 2.24 5.02 0.26 -4.92 118.16 116.57 2oqk n LYS 106 Ca 0.04 -0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 2oqk n LYS 106 Cb 0.15 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 2oqk n LYS 106 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2oqk n GLY 107 N 0.98 0.51 0.11 0.72 0.00 -0.56 -4.93 105.19 102.01 2oqk n GLY 107 Ca 0.21 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 2oqk n GLY 107 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2oqk h GLU 108 N 1.02 0.08 -5.09 1.61 4.39 -1.34 -3.45 114.58 111.80 2oqk h GLU 108 Ca 0.00 -0.10 -0.34 0.00 0.34 0.00 0.00 59.36 59.26 2oqk h GLU 108 Cb 0.00 0.03 -0.15 0.00 -0.10 0.00 0.00 28.75 28.53 2oqk h GLU 108 CO 0.00 0.89 -0.70 0.96 -1.16 0.00 0.00 179.01 179.00 2oqk s ILE 109 N -3.12 1.17 0.55 3.13 -4.36 -1.23 -5.00 121.20 112.34 2oqk s ILE 109 Ca -0.01 -2.06 -0.21 0.00 -0.26 0.00 0.00 60.65 58.11 2oqk s ILE 109 Cb 0.11 -1.94 -0.05 0.00 1.25 0.00 0.00 42.46 41.83 2oqk s ILE 109 CO 0.81 -0.67 1.26 -2.84 0.24 0.00 0.00 174.94 173.75 2oqk s PRO 110 N -3.76 3.15 0.55 0.37 0.02 -1.26 -4.57 135.00 129.49 2oqk s PRO 110 Ca 0.19 1.98 0.22 0.00 0.02 0.00 0.00 61.00 63.42 2oqk s PRO 110 Cb 0.03 -2.13 1.46 0.00 0.02 0.00 0.00 34.50 33.87 2oqk s PRO 110 CO 0.02 -1.11 2.14 1.49 -0.33 0.00 0.00 177.00 179.22 2oqk h GLU 111 N 1.29 0.00 -0.08 5.54 4.22 -1.97 -1.64 114.58 121.95 2oqk h GLU 111 Ca -0.50 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.94 2oqk h GLU 111 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2oqk h GLU 111 CO 0.57 0.00 0.00 0.25 -2.18 0.00 0.00 179.01 177.65 2oqk n THR 112 N -4.27 0.09 -1.93 0.32 -2.24 -1.26 -4.90 114.28 100.09 2oqk n THR 112 Ca -0.00 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 2oqk n THR 112 Cb 0.20 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.55 2oqk n THR 112 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2oqk s THR 113 N -1.91 2.54 -0.33 4.28 2.01 -0.62 -4.93 115.64 116.69 2oqk s THR 113 Ca 0.34 0.42 -0.28 0.00 0.31 0.00 0.00 61.69 62.48 2oqk s THR 113 Cb 0.18 -3.27 0.02 0.00 0.01 0.00 0.00 72.50 69.44 2oqk s THR 113 CO 0.28 0.05 1.05 -0.75 -0.69 0.00 0.00 174.62 174.56 2oqk s LYS 114 N 0.38 4.03 0.00 4.92 2.20 -1.26 -5.06 119.74 124.95 2oqk s LYS 114 Ca 0.65 0.99 0.26 0.00 -0.36 0.00 0.00 55.97 57.52 2oqk s LYS 114 Cb -0.44 -3.75 0.67 0.00 -1.51 0.00 0.00 37.83 32.81 2oqk s LYS 114 CO 0.38 -0.90 1.53 -0.89 -0.36 0.00 0.00 175.35 175.11