#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qnk s GLU 6 N 0.00 2.54 0.53 1.09 2.12 -1.26 -5.06 118.70 118.67 1qnk s GLU 6 Ca 0.00 -2.86 0.08 0.00 0.36 0.00 0.00 54.97 52.55 1qnk s GLU 6 Cb 0.00 -3.61 0.05 0.00 0.26 0.00 0.00 34.13 30.83 1qnk s GLU 6 CO 0.00 -1.20 0.61 -0.48 -0.54 0.00 0.00 175.26 173.65 1qnk s LEU 7 N -0.65 3.05 0.00 2.70 -0.00 -1.26 -5.14 118.68 117.39 1qnk s LEU 7 Ca 0.21 -0.93 0.00 0.00 -0.00 0.00 0.00 54.13 53.41 1qnk s LEU 7 Cb -0.16 -1.63 0.00 0.00 -0.00 0.00 0.00 46.19 44.40 1qnk s LEU 7 CO -0.07 -1.15 0.00 0.54 -0.00 0.00 0.00 176.35 175.68 1qnk n ARG 8 N -1.99 0.69 -1.99 1.48 1.74 -1.26 -4.62 116.66 110.71 1qnk n ARG 8 Ca 0.08 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.85 1qnk n ARG 8 Cb 0.62 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 32.07 1qnk n ARG 8 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qnk n GLN 10 N -2.37 1.55 -3.76 0.00 7.27 -1.26 -4.84 117.38 113.97 1qnk n GLN 10 Ca 0.07 -1.10 -0.13 0.00 0.07 0.00 0.00 57.00 55.91 1qnk n GLN 10 Cb 0.54 -1.48 -0.13 0.00 2.41 0.00 0.00 30.24 31.58 1qnk n GLN 10 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1qnk n LEU 12 N 3.81 0.43 -4.30 0.00 4.77 -1.26 -4.97 117.00 115.48 1qnk n LEU 12 Ca -0.22 -0.15 -0.16 0.00 -0.03 0.00 0.00 56.01 55.46 1qnk n LEU 12 Cb 0.54 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1qnk n LEU 12 CO 0.18 0.08 -0.28 -1.58 -1.33 0.00 0.00 177.39 174.46 1qnk s GLN 13 N -3.31 1.32 0.19 3.23 -0.44 -1.26 -5.17 119.66 114.22 1qnk s GLN 13 Ca -0.01 -1.69 -0.14 0.00 -2.50 0.00 0.00 55.36 51.02 1qnk s GLN 13 Cb 0.15 -0.28 0.01 0.00 -1.64 0.00 0.00 33.01 31.24 1qnk s GLN 13 CO 0.88 -0.24 0.42 0.95 0.50 0.00 0.00 175.29 177.80 1qnk s THR 14 N -3.71 0.04 -0.08 -0.34 -4.23 -1.26 -4.77 115.64 101.28 1qnk s THR 14 Ca 0.33 -1.09 -0.01 0.00 -1.18 0.00 0.00 61.69 59.74 1qnk s THR 14 Cb 0.07 -1.75 -0.03 0.00 1.34 0.00 0.00 72.50 72.13 1qnk s THR 14 CO 0.11 -0.18 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.24 1qnk s LEU 15 N -2.93 3.54 0.06 4.79 1.43 0.58 -4.80 118.68 121.35 1qnk s LEU 15 Ca 0.14 0.12 0.10 0.00 -1.03 0.00 0.00 54.13 53.47 1qnk s LEU 15 Cb 0.01 -1.81 0.47 0.00 0.03 0.00 0.00 46.19 44.89 1qnk s LEU 15 CO -0.00 0.38 1.33 1.67 0.23 0.00 0.00 176.35 179.95 1qnk n GLN 16 N 2.13 0.04 0.00 1.70 7.27 -1.26 -0.57 117.38 126.69 1qnk n GLN 16 Ca -0.18 0.41 0.00 0.00 0.07 0.00 0.00 57.00 57.30 1qnk n GLN 16 Cb 0.54 -1.59 0.00 0.00 2.41 0.00 0.00 30.24 31.60 1qnk n GLN 16 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1qnk n GLY 17 N -0.74 2.37 3.95 1.69 0.00 -1.26 -4.44 105.19 106.77 1qnk n GLY 17 Ca 0.01 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 1qnk n GLY 17 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qnk s ILE 18 N 0.00 4.51 0.21 -0.61 1.01 -1.26 -5.02 121.20 120.05 1qnk s ILE 18 Ca 0.00 -0.53 -0.31 0.00 0.00 0.00 0.00 60.65 59.81 1qnk s ILE 18 Cb 0.00 -3.65 -0.15 0.00 0.01 0.00 0.00 42.46 38.67 1qnk s ILE 18 CO 0.00 -0.42 1.07 1.57 0.00 0.00 0.00 174.94 177.16 1qnk n HIS 19 N -1.90 1.14 1.95 3.97 -0.00 -1.26 -4.81 115.22 114.32 1qnk n HIS 19 Ca -0.02 0.71 0.12 0.00 0.46 0.00 0.00 57.72 58.99 1qnk n HIS 19 Cb 0.57 -2.24 0.67 0.00 -0.12 0.00 0.00 29.99 28.87 1qnk n HIS 19 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 1qnk n LEU 20 N 1.77 0.11 0.28 0.27 7.94 -1.26 -3.20 117.00 122.91 1qnk n LEU 20 Ca 0.14 -0.04 0.18 0.00 -1.11 0.00 0.00 56.01 55.17 1qnk n LEU 20 Cb 0.27 -0.00 0.77 0.00 0.53 0.00 0.00 43.42 44.98 1qnk n LEU 20 CO 0.60 0.02 1.02 0.11 -1.11 0.00 0.00 177.39 178.03 1qnk h LYS 21 N 0.16 0.00 0.00 1.96 1.79 -2.02 -3.10 116.57 115.35 1qnk h LYS 21 Ca 0.00 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.11 1qnk h LYS 21 Cb 0.03 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.62 1qnk h LYS 21 CO 0.00 0.00 -2.29 0.09 -1.08 0.00 0.00 179.45 176.17 1qnk n ASN 22 N -3.01 2.05 -4.69 0.86 3.02 -1.19 -4.96 115.26 107.34 1qnk n ASN 22 Ca 0.00 0.03 -0.44 0.00 -0.03 0.00 0.00 54.58 54.14 1qnk n ASN 22 Cb 0.25 -0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 38.91 1qnk n ASN 22 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1qnk n ILE 23 N -3.49 0.74 -0.02 2.41 5.41 -1.17 -0.60 119.36 122.64 1qnk n ILE 23 Ca -0.42 -0.18 0.01 0.00 1.00 0.00 0.00 62.75 63.15 1qnk n ILE 23 Cb 0.89 -1.62 -0.05 0.00 -0.71 0.00 0.00 39.64 38.14 1qnk n ILE 23 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 1qnk n GLN 24 N 2.42 1.39 -3.57 0.38 0.00 0.13 -4.72 117.38 113.40 1qnk n GLN 24 Ca 0.12 -0.04 -0.12 0.00 -0.00 0.00 0.00 57.00 56.96 1qnk n GLN 24 Cb 0.32 -1.16 -0.05 0.00 0.00 0.00 0.00 30.24 29.36 1qnk n GLN 24 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1qnk s SER 25 N -3.21 -0.39 -0.05 1.69 1.04 -1.06 -4.97 113.70 106.76 1qnk s SER 25 Ca -0.03 -0.01 0.04 0.00 0.48 0.00 0.00 55.95 56.43 1qnk s SER 25 Cb 0.03 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1qnk s SER 25 CO 0.27 -0.80 -0.15 -0.69 0.98 0.00 0.00 173.24 172.85 1qnk s VAL 26 N -3.06 1.32 -0.08 5.02 1.01 -1.26 0.33 120.40 123.67 1qnk s VAL 26 Ca -0.02 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1qnk s VAL 26 Cb 0.00 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.25 1qnk s VAL 26 CO -0.07 0.39 -0.11 -0.75 0.00 0.00 0.00 175.10 174.56 1qnk s LYS 27 N 0.16 1.68 -0.14 2.72 2.36 0.30 -4.95 119.74 121.89 1qnk s LYS 27 Ca -0.06 -0.38 -0.04 0.00 -2.55 0.00 0.00 55.97 52.95 1qnk s LYS 27 Cb -0.12 -1.48 -0.03 0.00 -1.05 0.00 0.00 37.83 35.15 1qnk s LYS 27 CO 0.02 -0.06 -0.01 0.54 1.55 0.00 0.00 175.35 177.40 1qnk s VAL 28 N 0.97 4.20 -0.58 4.02 0.11 -1.26 0.17 120.40 128.03 1qnk s VAL 28 Ca -0.09 -0.26 0.04 0.00 -2.93 0.00 0.00 61.98 58.74 1qnk s VAL 28 Cb -0.15 -2.83 0.16 0.00 -1.53 0.00 0.00 36.38 32.03 1qnk s VAL 28 CO 0.00 0.52 0.38 -0.75 -3.33 0.00 0.00 175.10 171.93 1qnk s LYS 29 N -0.06 1.92 0.95 1.54 2.36 0.31 -4.98 119.74 121.79 1qnk s LYS 29 Ca 0.03 -2.78 -0.16 0.00 -2.55 0.00 0.00 55.97 50.51 1qnk s LYS 29 Cb -0.13 -2.90 0.04 0.00 -1.05 0.00 0.00 37.83 33.80 1qnk s LYS 29 CO 0.02 -1.25 -0.25 0.43 1.55 0.00 0.00 175.35 175.85 1qnk n SER 30 N 2.59 -2.70 -4.80 1.43 7.64 -1.26 -2.28 113.62 114.25 1qnk n SER 30 Ca 0.17 -0.18 -0.30 0.00 1.01 0.00 0.00 58.87 59.57 1qnk n SER 30 Cb 0.36 -0.71 0.11 0.00 -1.01 0.00 0.00 64.21 62.96 1qnk n SER 30 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1qnk s PRO 31 N -2.89 1.77 0.00 1.43 0.04 -1.18 -4.68 135.00 129.49 1qnk s PRO 31 Ca 0.35 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.92 1qnk s PRO 31 Cb -0.02 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1qnk s PRO 31 CO 0.44 -1.81 0.00 0.41 0.04 0.00 0.00 177.00 176.08 1qnk n GLY 32 N -2.13 4.70 0.00 0.56 0.00 0.49 -4.97 105.19 103.84 1qnk n GLY 32 Ca 0.07 -1.38 0.11 0.00 0.00 0.00 0.00 46.02 44.81 1qnk n GLY 32 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1qnk n PRO 33 N 0.00 0.75 -0.03 1.61 -0.04 -1.26 -3.50 135.00 132.53 1qnk n PRO 33 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 1qnk n PRO 33 Cb 0.00 -1.45 -0.02 0.00 -0.04 0.00 0.00 33.50 31.99 1qnk n PRO 33 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1qnk n HIS 34 N -0.95 0.00 -4.26 0.54 1.44 -1.26 -4.99 115.22 105.74 1qnk n HIS 34 Ca 0.16 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.53 1qnk n HIS 34 Cb 0.07 -0.27 -0.14 0.00 0.12 0.00 0.00 29.99 29.78 1qnk n HIS 34 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1qnk n ALA 36 N 4.21 4.11 -2.39 0.00 0.00 -1.26 0.19 120.51 125.37 1qnk n ALA 36 Ca -0.18 -1.81 -0.20 0.00 0.00 0.00 0.00 53.44 51.25 1qnk n ALA 36 Cb 0.52 -1.20 -0.10 0.00 0.00 0.00 0.00 19.45 18.67 1qnk n ALA 36 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1qnk s GLN 37 N -2.47 1.44 0.60 0.00 -0.21 -1.26 -4.89 119.66 112.87 1qnk s GLN 37 Ca 0.44 -1.67 -0.09 0.00 0.02 0.00 0.00 55.36 54.06 1qnk s GLN 37 Cb 0.35 -1.23 -0.02 0.00 1.00 0.00 0.00 33.01 33.11 1qnk s GLN 37 CO 0.11 0.17 0.96 0.99 -2.12 0.00 0.00 175.29 175.40 1qnk s THR 38 N -2.91 4.39 -0.25 -0.19 2.01 -1.26 -3.09 115.64 114.33 1qnk s THR 38 Ca 0.25 0.52 -0.02 0.00 0.31 0.00 0.00 61.69 62.75 1qnk s THR 38 Cb -0.00 -3.74 0.13 0.00 0.01 0.00 0.00 72.50 68.90 1qnk s THR 38 CO 0.09 -0.89 0.33 -0.70 -0.69 0.00 0.00 174.62 172.77 1qnk s GLU 39 N -5.08 0.32 -0.32 4.92 2.12 -0.97 -4.85 118.70 114.85 1qnk s GLU 39 Ca 0.54 0.24 -0.11 0.00 0.36 0.00 0.00 54.97 55.99 1qnk s GLU 39 Cb -0.11 -0.66 -0.01 0.00 0.26 0.00 0.00 34.13 33.61 1qnk s GLU 39 CO 0.50 -0.80 0.19 0.08 -0.54 0.00 0.00 175.26 174.69 1qnk s VAL 40 N 2.45 4.93 -0.20 3.70 1.01 -1.26 0.11 120.40 131.15 1qnk s VAL 40 Ca 0.10 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.80 1qnk s VAL 40 Cb -0.15 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.75 1qnk s VAL 40 CO -0.21 0.05 -0.17 -0.63 0.00 0.00 0.00 175.10 174.14 1qnk s ILE 41 N 1.67 2.17 -0.02 2.22 1.09 0.45 -0.10 121.20 128.67 1qnk s ILE 41 Ca 0.05 -1.02 0.01 0.00 -1.10 0.00 0.00 60.65 58.59 1qnk s ILE 41 Cb -0.17 -1.98 -0.03 0.00 -1.06 0.00 0.00 42.46 39.22 1qnk s ILE 41 CO 0.08 0.44 -0.00 0.00 -0.10 0.00 0.00 174.94 175.36 1qnk s ALA 42 N 1.27 3.27 0.09 9.38 0.00 -1.01 0.11 121.76 134.87 1qnk s ALA 42 Ca 0.03 -0.92 -0.12 0.00 0.00 0.00 0.00 51.96 50.95 1qnk s ALA 42 Cb -0.14 -1.36 -0.06 0.00 0.00 0.00 0.00 23.12 21.55 1qnk s ALA 42 CO -0.11 0.63 0.45 0.99 0.00 0.00 0.00 175.76 177.72 1qnk s THR 43 N -1.03 5.00 0.25 0.00 2.01 0.15 -0.43 115.64 121.60 1qnk s THR 43 Ca 0.18 0.64 -0.10 0.00 0.31 0.00 0.00 61.69 62.72 1qnk s THR 43 Cb -0.11 -3.69 -0.07 0.00 0.01 0.00 0.00 72.50 68.64 1qnk s THR 43 CO 0.08 0.32 0.58 -0.22 -0.69 0.00 0.00 174.62 174.69 1qnk s LEU 44 N -1.79 4.13 0.00 4.42 0.20 0.54 0.17 118.68 126.35 1qnk s LEU 44 Ca 0.33 0.94 0.23 0.00 0.69 0.00 0.00 54.13 56.32 1qnk s LEU 44 Cb -0.15 -3.72 1.25 0.00 -0.43 0.00 0.00 46.19 43.15 1qnk s LEU 44 CO 0.18 -0.12 1.75 1.17 -0.29 0.00 0.00 176.35 179.05 1qnk n LYS 45 N -0.31 0.49 0.00 1.98 0.00 0.23 -1.67 118.16 118.88 1qnk n LYS 45 Ca 0.01 0.04 0.10 0.00 0.00 0.00 0.00 58.31 58.46 1qnk n LYS 45 Cb 0.53 -1.50 -0.08 0.00 0.00 0.00 0.00 35.03 33.97 1qnk n LYS 45 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1qnk n ASN 46 N -1.17 1.28 0.00 3.14 5.15 -1.26 -4.94 115.26 117.46 1qnk n ASN 46 Ca 0.14 -1.14 0.00 0.00 -0.60 0.00 0.00 54.58 52.98 1qnk n ASN 46 Cb 0.14 0.85 0.00 0.00 -0.53 0.00 0.00 39.78 40.24 1qnk n ASN 46 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qnk n GLY 47 N 1.46 0.71 1.02 8.20 0.00 -0.67 -5.09 105.19 110.82 1qnk n GLY 47 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 1qnk n GLY 47 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1qnk n GLN 48 N -1.05 -0.09 -3.83 1.61 6.02 -1.25 -4.74 117.38 114.04 1qnk n GLN 48 Ca 0.00 -0.60 -0.12 0.00 -0.01 0.00 0.00 57.00 56.27 1qnk n GLN 48 Cb 0.00 -0.30 -0.11 0.00 1.02 0.00 0.00 30.24 30.85 1qnk n GLN 48 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1qnk s LYS 49 N -3.55 0.37 -0.18 -1.09 1.02 -1.26 0.20 119.74 115.25 1qnk s LYS 49 Ca 0.19 -0.03 -0.02 0.00 0.02 0.00 0.00 55.97 56.13 1qnk s LYS 49 Cb -0.01 0.16 0.05 0.00 -0.52 0.00 0.00 37.83 37.52 1qnk s LYS 49 CO 0.13 -0.08 0.01 0.00 -0.92 0.00 0.00 175.35 174.49 1qnk s ALA 50 N -0.61 1.17 0.29 5.17 0.00 0.43 -4.89 121.76 123.32 1qnk s ALA 50 Ca -0.07 -0.73 -0.29 0.00 0.00 0.00 0.00 51.96 50.86 1qnk s ALA 50 Cb -0.04 -1.15 -0.10 0.00 0.00 0.00 0.00 23.12 21.83 1qnk s ALA 50 CO 0.01 -1.02 1.21 0.00 0.00 0.00 0.00 175.76 175.96 1qnk s LEU 52 N -1.47 3.30 -0.41 0.00 1.43 0.85 0.21 118.68 122.59 1qnk s LEU 52 Ca 0.47 -0.75 -0.18 0.00 -1.03 0.00 0.00 54.13 52.65 1qnk s LEU 52 Cb -0.36 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.09 1qnk s LEU 52 CO 0.46 -0.31 0.46 0.21 0.23 0.00 0.00 176.35 177.40 1qnk s ASN 53 N -3.86 6.22 0.00 2.29 2.47 0.26 -4.08 114.94 118.24 1qnk s ASN 53 Ca 0.38 -0.51 -0.04 0.00 0.42 0.00 0.00 52.86 53.12 1qnk s ASN 53 Cb -0.03 -2.24 -0.16 0.00 -1.45 0.00 0.00 41.25 37.38 1qnk s ASN 53 CO 0.23 -0.56 2.55 -0.81 -3.72 0.00 0.00 177.10 174.79 1qnk n PRO 54 N 5.67 1.34 -0.94 0.43 -0.04 -1.26 -2.49 135.00 137.70 1qnk n PRO 54 Ca -0.07 -0.59 -0.04 0.00 -0.04 0.00 0.00 63.50 62.76 1qnk n PRO 54 Cb 0.48 -1.71 -0.04 0.00 -0.04 0.00 0.00 33.50 32.19 1qnk n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qnk n ALA 55 N 2.41 1.91 -2.47 0.55 0.00 -1.26 -4.93 120.51 116.72 1qnk n ALA 55 Ca 0.25 -0.47 -0.26 0.00 0.00 0.00 0.00 53.44 52.96 1qnk n ALA 55 Cb 0.62 -0.33 -0.13 0.00 0.00 0.00 0.00 19.45 19.61 1qnk n ALA 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1qnk s SER 56 N -0.66 2.83 0.00 0.00 0.15 -1.04 -5.01 113.70 109.97 1qnk s SER 56 Ca 0.00 -0.69 0.23 0.00 0.70 0.00 0.00 55.95 56.19 1qnk s SER 56 Cb 0.02 -0.18 1.11 0.00 -1.71 0.00 0.00 66.02 65.26 1qnk s SER 56 CO -0.01 0.12 1.73 -0.81 1.20 0.00 0.00 173.24 175.48 1qnk n PRO 57 N 1.13 0.27 -0.07 5.44 -0.04 -1.26 -2.82 135.00 137.65 1qnk n PRO 57 Ca -0.19 0.08 -0.13 0.00 -0.04 0.00 0.00 63.50 63.22 1qnk n PRO 57 Cb 0.53 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 1qnk n PRO 57 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1qnk n MET 58 N -1.32 0.68 0.25 0.54 1.56 -1.26 -4.06 117.12 113.51 1qnk n MET 58 Ca 0.10 0.14 0.17 0.00 -0.27 0.00 0.00 57.70 57.84 1qnk n MET 58 Cb 0.19 -1.61 0.80 0.00 2.15 0.00 0.00 33.22 34.75 1qnk n MET 58 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1qnk h VAL 59 N 0.01 0.00 -0.20 1.12 2.07 -1.74 0.26 116.25 117.77 1qnk h VAL 59 Ca -0.48 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1qnk h VAL 59 Cb 2.09 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 1qnk h VAL 59 CO 0.02 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.90 1qnk n LYS 60 N -2.81 2.10 -0.00 1.57 4.76 -1.22 -3.50 118.16 119.06 1qnk n LYS 60 Ca -0.01 -1.65 0.01 0.00 -2.87 0.00 0.00 58.31 53.79 1qnk n LYS 60 Cb 0.18 -1.46 -0.01 0.00 -1.84 0.00 0.00 35.03 31.90 1qnk n LYS 60 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1qnk n LYS 61 N 0.90 5.22 0.03 1.97 5.02 0.70 -4.08 118.16 127.92 1qnk n LYS 61 Ca 0.17 -0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.57 1qnk n LYS 61 Cb 0.48 -0.66 -0.02 0.00 -0.02 0.00 0.00 35.03 34.82 1qnk n LYS 61 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1qnk n ILE 62 N -1.14 0.22 -0.10 -0.18 5.41 -0.03 -3.61 119.36 119.93 1qnk n ILE 62 Ca 0.00 -0.33 -0.14 0.00 1.00 0.00 0.00 62.75 63.28 1qnk n ILE 62 Cb 0.02 0.09 -0.05 0.00 -0.71 0.00 0.00 39.64 38.99 1qnk n ILE 62 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1qnk n ILE 63 N -2.13 1.49 -0.10 1.39 5.41 -1.23 -3.05 119.36 121.14 1qnk n ILE 63 Ca 0.01 0.04 0.26 0.00 1.00 0.00 0.00 62.75 64.05 1qnk n ILE 63 Cb 0.48 -2.23 0.72 0.00 -0.71 0.00 0.00 39.64 37.89 1qnk n ILE 63 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1qnk h GLU 64 N -1.00 0.00 0.04 0.38 5.08 -1.77 0.78 114.58 118.10 1qnk h GLU 64 Ca -0.18 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.91 1qnk h GLU 64 Cb 1.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 1qnk h GLU 64 CO -0.11 0.00 -1.37 -0.22 -1.00 0.00 0.00 179.01 176.31 1qnk h LYS 65 N 0.00 0.10 -0.64 2.33 3.64 -1.74 -3.28 116.57 116.98 1qnk h LYS 65 Ca 0.36 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.53 1qnk h LYS 65 Cb 1.52 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.38 1qnk h LYS 65 CO -0.00 0.92 0.20 0.52 -2.27 0.00 0.00 179.45 178.82 1qnk h MET 66 N 0.03 0.96 0.00 1.90 2.86 0.59 1.60 114.93 122.86 1qnk h MET 66 Ca -0.16 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.29 1qnk h MET 66 Cb 1.92 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 33.43 1qnk h MET 66 CO 0.13 0.82 0.00 1.28 1.06 0.00 0.00 176.91 180.20 1qnk n LEU 67 N -4.28 0.73 -0.03 1.22 4.32 -0.20 -2.23 117.00 116.54 1qnk n LEU 67 Ca 0.05 0.67 0.02 0.00 -0.02 0.00 0.00 56.01 56.73 1qnk n LEU 67 Cb 0.21 -0.55 -0.13 0.00 -1.62 0.00 0.00 43.42 41.33 1qnk n LEU 67 CO 0.40 -0.54 -0.82 0.29 -1.22 0.00 0.00 177.39 175.51 1qnk n LYS 68 N -2.29 0.86 0.00 3.23 4.76 -0.26 -4.98 118.16 119.48 1qnk n LYS 68 Ca 0.02 -0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 1qnk n LYS 68 Cb 0.26 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 1qnk n LYS 68 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1qnk n ASN 69 N -2.27 0.00 0.00 4.39 5.15 0.53 -3.96 115.26 119.10 1qnk n ASN 69 Ca -0.11 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.87 1qnk n ASN 69 Cb 0.65 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.90 1qnk n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qnk n GLY 70 N 0.00 0.57 0.48 8.20 0.00 -1.26 -4.85 105.19 108.34 1qnk n GLY 70 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1qnk n GLY 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qnk n LYS 71 N 0.00 -1.43 -3.06 1.61 5.02 -1.25 -5.08 118.16 113.98 1qnk n LYS 71 Ca 0.00 -0.24 0.04 0.00 -2.02 0.00 0.00 58.31 56.09 1qnk n LYS 71 Cb 0.00 -0.23 -0.00 0.00 -0.02 0.00 0.00 35.03 34.78 1qnk n LYS 71 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1qnk s SER 72 N -1.94 -0.81 0.00 4.39 0.15 -1.26 -5.14 113.70 109.09 1qnk s SER 72 Ca 0.10 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1qnk s SER 72 Cb -0.01 1.30 0.00 0.00 -1.71 0.00 0.00 66.02 65.60 1qnk s SER 72 CO 0.08 -0.12 0.00 -3.20 1.20 0.00 0.00 173.24 171.19