#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbk s LYS 2 N 0.00 4.02 0.20 0.54 1.02 -1.26 -4.93 119.74 119.33 2qbk s LYS 2 Ca 0.00 2.49 -0.30 0.00 0.02 0.00 0.00 55.97 58.18 2qbk s LYS 2 Cb 0.00 -2.89 -0.09 0.00 -0.52 0.00 0.00 37.83 34.33 2qbk s LYS 2 CO 0.00 -0.58 1.42 0.42 -0.92 0.00 0.00 175.35 175.70 2qbk s ILE 3 N -1.15 2.90 -0.15 2.17 1.01 -1.26 -4.99 121.20 119.73 2qbk s ILE 3 Ca 0.55 0.71 -0.19 0.00 0.00 0.00 0.00 60.65 61.72 2qbk s ILE 3 Cb -0.45 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 2qbk s ILE 3 CO 0.60 0.09 0.52 -0.54 0.00 0.00 0.00 174.94 175.61 2qbk s LYS 4 N 0.21 4.29 0.25 2.79 1.02 -1.26 -4.97 119.74 122.07 2qbk s LYS 4 Ca 0.61 0.49 -0.30 0.00 0.02 0.00 0.00 55.97 56.79 2qbk s LYS 4 Cb -0.40 -3.49 -0.09 0.00 -0.52 0.00 0.00 37.83 33.33 2qbk s LYS 4 CO 0.38 0.02 1.00 0.95 -0.92 0.00 0.00 175.35 176.77 2qbk s THR 5 N 1.07 3.85 -0.93 2.17 -4.23 -1.26 -4.93 115.64 111.39 2qbk s THR 5 Ca 0.27 1.86 -0.25 0.00 -1.18 0.00 0.00 61.69 62.39 2qbk s THR 5 Cb -0.15 -4.19 -0.09 0.00 1.34 0.00 0.00 72.50 69.41 2qbk s THR 5 CO 0.11 0.44 2.07 -0.69 -0.54 0.00 0.00 174.62 176.01 2qbk s VAL 6 N -1.16 3.33 0.00 2.29 1.01 0.31 -4.85 120.40 121.34 2qbk s VAL 6 Ca 0.42 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2qbk s VAL 6 Cb -0.28 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2qbk s VAL 6 CO 0.35 -0.67 0.67 0.54 0.00 0.00 0.00 175.10 175.99 2qbk n ARG 7 N 8.71 0.00 -0.25 2.72 3.00 -1.26 -0.50 116.66 129.08 2qbk n ARG 7 Ca 0.43 0.67 0.20 0.00 -0.01 0.00 0.00 57.85 59.14 2qbk n ARG 7 Cb 0.46 -1.04 0.38 0.00 0.00 0.00 0.00 32.46 32.25 2qbk n ARG 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2qbk n GLY 8 N -0.97 -0.73 0.17 -0.13 0.00 -1.26 0.10 105.19 102.38 2qbk n GLY 8 Ca 0.00 0.66 -0.13 0.00 0.00 0.00 0.00 46.02 46.55 2qbk n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbk h ALA 9 N 1.53 0.33 0.00 4.61 0.00 -1.16 -2.99 119.26 121.59 2qbk h ALA 9 Ca 0.59 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2qbk h ALA 9 Cb 1.47 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2qbk h ALA 9 CO -0.63 0.25 0.00 0.00 0.00 0.00 0.00 179.25 178.87 2qbk n ALA 10 N -2.44 1.58 -0.18 0.00 0.00 0.29 -1.33 120.51 118.43 2qbk n ALA 10 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2qbk n ALA 10 Cb 0.39 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.84 2qbk n ALA 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qbk n LYS 11 N 0.07 2.12 0.00 0.00 5.02 -1.13 -4.66 118.16 119.58 2qbk n LYS 11 Ca 0.00 -1.23 0.00 0.00 -2.02 0.00 0.00 58.31 55.06 2qbk n LYS 11 Cb 0.05 -0.91 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 2qbk n LYS 11 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbk n ARG 12 N -0.37 0.57 -4.16 1.97 1.74 -0.44 -5.10 116.66 110.87 2qbk n ARG 12 Ca 0.00 -0.69 -0.13 0.00 -0.77 0.00 0.00 57.85 56.26 2qbk n ARG 12 Cb 0.27 -0.60 -0.08 0.00 -1.02 0.00 0.00 32.46 31.03 2qbk n ARG 12 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2qbk s PHE 13 N -0.19 1.10 -0.30 -1.55 0.08 -1.23 -4.53 117.98 111.36 2qbk s PHE 13 Ca 0.00 -1.29 -0.11 0.00 0.12 0.00 0.00 56.93 55.65 2qbk s PHE 13 Cb 0.00 -0.37 0.18 0.00 -0.57 0.00 0.00 43.02 42.27 2qbk s PHE 13 CO 0.00 -0.83 1.04 0.21 -0.10 0.00 0.00 175.22 175.55 2qbk s LYS 14 N -3.83 0.15 0.45 0.44 2.36 -1.15 -4.95 119.74 113.21 2qbk s LYS 14 Ca 0.35 0.17 -0.19 0.00 -2.55 0.00 0.00 55.97 53.75 2qbk s LYS 14 Cb 0.04 0.08 -0.15 0.00 -1.05 0.00 0.00 37.83 36.75 2qbk s LYS 14 CO 0.16 -0.27 -0.02 1.17 1.55 0.00 0.00 175.35 177.94 2qbk n LYS 15 N 5.18 0.00 0.00 4.03 4.81 -1.26 -4.33 118.16 126.59 2qbk n LYS 15 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 2qbk n LYS 15 Cb 0.57 -1.00 0.00 0.00 0.02 0.00 0.00 35.03 34.62 2qbk n LYS 15 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2qbk n THR 16 N -1.27 0.00 0.19 3.15 -2.24 0.32 -4.86 114.28 109.58 2qbk n THR 16 Ca 0.09 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.97 2qbk n THR 16 Cb 0.43 -0.16 0.52 0.00 -2.10 0.00 0.00 70.33 69.02 2qbk n THR 16 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2qbk h GLY 17 N 0.00 0.00 0.00 3.38 0.00 -1.94 -3.43 103.07 101.08 2qbk h GLY 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qbk h GLY 17 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.54 177.12 2qbk n LYS 18 N -2.25 0.00 -0.30 4.80 -0.00 -1.26 -5.03 118.16 114.13 2qbk n LYS 18 Ca -0.01 0.00 0.24 0.00 -0.00 0.00 0.00 58.31 58.54 2qbk n LYS 18 Cb 0.21 0.00 0.55 0.00 -0.00 0.00 0.00 35.03 35.79 2qbk n LYS 18 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2qbk h GLY 19 N 0.00 0.92 -1.81 2.58 0.00 -2.00 -3.44 103.07 99.33 2qbk h GLY 19 Ca 0.00 -0.17 -0.49 0.00 0.00 0.00 0.00 47.33 46.67 2qbk h GLY 19 CO 0.00 -0.08 -1.20 0.61 0.00 0.00 0.00 176.54 175.87 2qbk n GLY 20 N -1.53 -2.60 0.00 4.60 0.00 -1.26 -4.67 105.19 99.72 2qbk n GLY 20 Ca 0.24 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2qbk n GLY 20 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qbk n PHE 21 N -3.91 0.00 -1.32 1.61 3.01 -1.26 -0.52 117.46 115.07 2qbk n PHE 21 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 2qbk n PHE 21 Cb 0.61 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.08 2qbk n PHE 21 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2qbk n LYS 22 N -1.87 -3.71 0.00 -1.08 4.81 -1.26 -2.92 118.16 112.14 2qbk n LYS 22 Ca 0.00 2.79 0.00 0.00 -0.87 0.00 0.00 58.31 60.23 2qbk n LYS 22 Cb 0.27 -3.24 0.00 0.00 0.02 0.00 0.00 35.03 32.09 2qbk n LYS 22 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 2qbk n HIS 23 N -1.33 0.00 -4.49 5.64 1.44 0.21 -3.73 115.22 112.97 2qbk n HIS 23 Ca 0.00 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.46 2qbk n HIS 23 Cb 0.11 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.09 2qbk n HIS 23 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 2qbk s LYS 24 N 1.99 1.30 0.33 -1.40 2.36 -1.26 -2.70 119.74 120.36 2qbk s LYS 24 Ca 0.00 -1.07 -0.22 0.00 -2.55 0.00 0.00 55.97 52.13 2qbk s LYS 24 Cb 0.00 -1.50 -0.10 0.00 -1.05 0.00 0.00 37.83 35.18 2qbk s LYS 24 CO 0.00 0.37 0.87 -1.01 1.55 0.00 0.00 175.35 177.13 2qbk s HIS 25 N -0.97 3.53 0.00 4.03 3.76 -1.26 -5.00 115.29 119.39 2qbk s HIS 25 Ca 0.08 1.58 0.00 0.00 -0.15 0.00 0.00 55.06 56.56 2qbk s HIS 25 Cb -0.09 -2.79 0.00 0.00 1.11 0.00 0.00 32.58 30.81 2qbk s HIS 25 CO 0.03 0.13 0.00 0.00 -0.85 0.00 0.00 174.74 174.05 2qbk n ALA 26 N 0.13 0.00 -4.17 -1.40 0.00 -1.26 -4.35 120.51 109.46 2qbk n ALA 26 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.18 2qbk n ALA 26 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.88 2qbk n ALA 26 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2qbk n ASN 27 N -2.56 0.70 -2.51 0.00 0.23 -1.26 -4.83 115.26 105.04 2qbk n ASN 27 Ca 0.00 -1.17 0.01 0.00 -0.53 0.00 0.00 54.58 52.89 2qbk n ASN 27 Cb 0.00 -1.45 0.05 0.00 -2.08 0.00 0.00 39.78 36.29 2qbk n ASN 27 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 2qbk n LEU 28 N -4.24 1.28 0.00 -4.53 7.94 -1.26 -4.83 117.00 111.35 2qbk n LEU 28 Ca -0.27 -2.78 0.00 0.00 -1.11 0.00 0.00 56.01 51.84 2qbk n LEU 28 Cb 0.62 0.35 0.00 0.00 0.53 0.00 0.00 43.42 44.92 2qbk n LEU 28 CO 0.78 0.95 0.00 -2.11 -1.11 0.00 0.00 177.39 175.90 2qbk n ARG 29 N -0.38 0.00 -3.88 1.96 1.85 -1.26 -5.11 116.66 109.84 2qbk n ARG 29 Ca 0.05 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.79 2qbk n ARG 29 Cb 0.88 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 32.18 2qbk n ARG 29 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 2qbk s HIS 30 N 0.00 0.02 -0.05 2.89 2.46 -1.26 -4.99 115.29 114.35 2qbk s HIS 30 Ca 0.00 -0.04 -0.05 0.00 0.47 0.00 0.00 55.06 55.45 2qbk s HIS 30 Cb 0.00 -0.04 0.01 0.00 -0.13 0.00 0.00 32.58 32.42 2qbk s HIS 30 CO 0.00 -0.17 0.08 1.51 -2.47 0.00 0.00 174.74 173.68 2qbk n ILE 31 N 2.14 -1.93 0.00 0.89 3.06 -1.26 -4.94 119.36 117.32 2qbk n ILE 31 Ca -0.19 0.38 0.00 0.00 -2.50 0.00 0.00 62.75 60.45 2qbk n ILE 31 Cb 0.57 -2.64 0.00 0.00 0.54 0.00 0.00 39.64 38.11 2qbk n ILE 31 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 2qbk n LEU 32 N 1.01 0.00 -0.33 9.51 4.77 -1.26 -4.75 117.00 125.95 2qbk n LEU 32 Ca -0.01 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.10 2qbk n LEU 32 Cb 0.45 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.86 2qbk n LEU 32 CO 0.06 0.00 1.14 0.00 -1.33 0.00 0.00 177.39 177.26 2qbk h THR 33 N 0.00 0.62 -0.70 -5.08 1.03 -2.03 -0.78 112.91 105.96 2qbk h THR 33 Ca 0.00 -0.21 -0.47 0.00 -0.01 0.00 0.00 66.41 65.72 2qbk h THR 33 Cb 0.43 -0.05 -0.20 0.00 -1.07 0.00 0.00 68.15 67.26 2qbk h THR 33 CO 0.00 0.11 0.61 2.29 -0.01 0.00 0.00 175.52 178.52 2qbk n LYS 34 N -4.88 2.17 -4.26 0.00 2.85 -1.26 -4.90 118.16 107.88 2qbk n LYS 34 Ca 0.23 -2.27 -0.18 0.00 -1.05 0.00 0.00 58.31 55.04 2qbk n LYS 34 Cb 0.61 -1.89 -0.13 0.00 -0.65 0.00 0.00 35.03 32.97 2qbk n LYS 34 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2qbk s LYS 35 N -2.63 0.76 -0.03 -1.58 1.02 -0.30 -5.11 119.74 111.87 2qbk s LYS 35 Ca 0.45 -0.66 -0.30 0.00 0.02 0.00 0.00 55.97 55.48 2qbk s LYS 35 Cb 0.35 -0.71 -0.06 0.00 -0.52 0.00 0.00 37.83 36.89 2qbk s LYS 35 CO -0.01 0.17 1.70 0.00 -0.92 0.00 0.00 175.35 176.29 2qbk s ALA 36 N -0.85 3.62 0.43 5.17 0.00 -1.26 -4.85 121.76 124.03 2qbk s ALA 36 Ca -0.01 1.02 0.26 0.00 0.00 0.00 0.00 51.96 53.23 2qbk s ALA 36 Cb -0.07 -3.76 1.31 0.00 0.00 0.00 0.00 23.12 20.60 2qbk s ALA 36 CO 0.01 -1.40 1.70 1.79 0.00 0.00 0.00 175.76 177.85 2qbk h THR 37 N 5.53 0.31 0.41 0.00 1.35 -1.96 0.76 112.91 119.31 2qbk h THR 37 Ca -0.41 -0.07 -0.02 0.00 -0.55 0.00 0.00 66.41 65.36 2qbk h THR 37 Cb 1.19 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 2qbk h THR 37 CO 0.95 0.04 -0.20 0.50 -0.25 0.00 0.00 175.52 176.56 2qbk h LYS 38 N 0.20 -0.53 -0.74 4.72 3.64 -1.96 0.45 116.57 122.35 2qbk h LYS 38 Ca 0.71 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 60.23 2qbk h LYS 38 Cb 2.13 0.12 -0.12 0.00 -0.41 0.00 0.00 32.23 33.95 2qbk h LYS 38 CO -0.32 -0.35 -0.30 -2.13 -2.27 0.00 0.00 179.45 174.08 2qbk n ARG 39 N -3.55 -0.18 0.14 1.90 0.63 0.20 0.84 116.66 116.64 2qbk n ARG 39 Ca -0.07 1.14 -0.13 0.00 -0.92 0.00 0.00 57.85 57.87 2qbk n ARG 39 Cb 0.22 -1.69 -0.08 0.00 0.45 0.00 0.00 32.46 31.35 2qbk n ARG 39 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2qbk h LYS 40 N 0.00 -0.37 0.00 -0.14 1.57 -1.36 -0.65 116.57 115.61 2qbk h LYS 40 Ca 0.25 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2qbk h LYS 40 Cb 0.44 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2qbk h LYS 40 CO -0.73 -0.05 0.29 -0.09 -0.57 0.00 0.00 179.45 178.30 2qbk h ARG 41 N -0.75 0.00 0.05 3.15 2.43 0.28 0.98 114.38 120.52 2qbk h ARG 41 Ca -0.04 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.80 2qbk h ARG 41 Cb 0.50 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.01 2qbk h ARG 41 CO 0.06 0.00 -1.89 0.72 -1.51 0.00 0.00 179.97 177.35 2qbk n HIS 42 N -2.38 1.01 0.95 2.20 8.25 0.25 -4.05 115.22 121.44 2qbk n HIS 42 Ca -0.01 0.29 0.13 0.00 -0.26 0.00 0.00 57.72 57.87 2qbk n HIS 42 Cb 0.32 -1.16 0.51 0.00 1.12 0.00 0.00 29.99 30.78 2qbk n HIS 42 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2qbk n LEU 43 N -3.21 0.21 0.06 2.41 4.77 0.31 -4.08 117.00 117.46 2qbk n LEU 43 Ca -0.25 0.40 -0.11 0.00 -0.03 0.00 0.00 56.01 56.02 2qbk n LEU 43 Cb 1.05 -0.42 -0.05 0.00 -2.33 0.00 0.00 43.42 41.68 2qbk n LEU 43 CO 0.43 0.01 0.76 0.03 -1.33 0.00 0.00 177.39 177.29 2qbk h ARG 44 N 0.00 -0.25 -7.26 3.23 3.08 -0.86 -3.38 114.38 108.95 2qbk h ARG 44 Ca 0.00 0.02 -0.47 0.00 0.07 0.00 0.00 59.98 59.59 2qbk h ARG 44 Cb 0.53 0.06 0.18 0.00 0.08 0.00 0.00 29.97 30.82 2qbk h ARG 44 CO 0.00 -0.17 0.16 -1.25 -1.07 0.00 0.00 179.97 177.64 2qbk s PRO 45 N -6.13 0.42 0.43 0.04 0.04 -1.26 -4.88 135.00 123.66 2qbk s PRO 45 Ca -0.15 0.96 -0.04 0.00 0.04 0.00 0.00 61.00 61.81 2qbk s PRO 45 Cb 0.08 -1.70 0.09 0.00 0.04 0.00 0.00 34.50 33.02 2qbk s PRO 45 CO 0.66 -2.86 0.59 1.63 0.04 0.00 0.00 177.00 177.07 2qbk n LYS 46 N -4.33 -0.23 -3.64 4.56 4.76 -1.26 -4.56 118.16 113.47 2qbk n LYS 46 Ca 0.07 -1.19 -0.06 0.00 -2.87 0.00 0.00 58.31 54.25 2qbk n LYS 46 Cb 0.54 -0.52 -0.07 0.00 -1.84 0.00 0.00 35.03 33.14 2qbk n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qbk s ALA 47 N -3.51 -2.11 1.05 7.82 0.00 -1.10 -4.92 121.76 119.00 2qbk s ALA 47 Ca 0.36 1.83 -0.13 0.00 0.00 0.00 0.00 51.96 54.02 2qbk s ALA 47 Cb -0.01 -1.60 0.16 0.00 0.00 0.00 0.00 23.12 21.66 2qbk s ALA 47 CO 0.24 -0.20 0.69 -1.33 0.00 0.00 0.00 175.76 175.17 2qbk n MET 48 N 2.12 -1.29 -2.63 0.00 2.81 -1.26 0.67 117.12 117.54 2qbk n MET 48 Ca -0.12 -0.34 -0.36 0.00 -1.81 0.00 0.00 57.70 55.07 2qbk n MET 48 Cb 0.56 -2.05 -0.05 0.00 -0.71 0.00 0.00 33.22 30.98 2qbk n MET 48 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2qbk s VAL 49 N -2.43 3.92 -0.61 2.03 -7.23 -1.26 -4.67 120.40 110.16 2qbk s VAL 49 Ca 0.63 1.44 0.00 0.00 -1.81 0.00 0.00 61.98 62.24 2qbk s VAL 49 Cb -0.21 -3.73 0.00 0.00 0.56 0.00 0.00 36.38 33.00 2qbk s VAL 49 CO 0.64 -0.02 0.29 -1.54 -0.31 0.00 0.00 175.10 174.16 2qbk n SER 50 N -0.06 0.00 0.00 4.85 3.41 -1.26 -4.73 113.62 115.83 2qbk n SER 50 Ca 0.05 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2qbk n SER 50 Cb 0.50 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2qbk n SER 50 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2qbk n LYS 51 N -0.79 0.00 0.12 4.33 3.00 -1.26 -4.46 118.16 119.10 2qbk n LYS 51 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.07 2qbk n LYS 51 Cb 0.08 -1.23 -0.16 0.00 0.00 0.00 0.00 35.03 33.72 2qbk n LYS 51 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2qbk h GLY 52 N 0.00 0.56 -0.86 3.14 0.00 -2.03 -3.29 103.07 100.60 2qbk h GLY 52 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 47.33 45.89 2qbk h GLY 52 CO 0.00 1.26 -0.25 1.22 0.00 0.00 0.00 176.54 178.77 2qbk n ASP 53 N -3.75 1.95 -0.26 0.19 8.00 -1.26 -4.36 116.55 117.06 2qbk n ASP 53 Ca -0.18 -1.48 0.02 0.00 0.71 0.00 0.00 54.79 53.86 2qbk n ASP 53 Cb 1.07 0.23 0.10 0.00 -0.02 0.00 0.00 41.12 42.50 2qbk n ASP 53 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2qbk h LEU 54 N 2.67 -0.63 -0.85 0.64 5.85 -1.88 -0.35 115.31 120.76 2qbk h LEU 54 Ca 0.00 0.22 0.14 0.00 0.84 0.00 0.00 57.88 59.08 2qbk h LEU 54 Cb 0.72 0.44 -0.14 0.00 0.37 0.00 0.00 40.66 42.05 2qbk h LEU 54 CO 0.00 -0.24 -0.37 1.23 -0.34 0.00 0.00 178.44 178.72 2qbk h GLY 55 N 0.02 -0.01 0.27 3.75 0.00 -1.79 0.15 103.07 105.46 2qbk h GLY 55 Ca 0.37 0.50 0.06 0.00 0.00 0.00 0.00 47.33 48.26 2qbk h GLY 55 CO -0.76 -0.20 -0.15 1.41 0.00 0.00 0.00 176.54 176.84 2qbk h LEU 56 N -0.06 -0.51 -0.27 3.11 4.07 -1.38 -2.14 115.31 118.13 2qbk h LEU 56 Ca 0.30 0.12 0.07 0.00 0.08 0.00 0.00 57.88 58.44 2qbk h LEU 56 Cb 0.58 0.27 -0.08 0.00 1.08 0.00 0.00 40.66 42.51 2qbk h LEU 56 CO -0.88 -0.19 -0.28 0.58 -1.08 0.00 0.00 178.44 176.60 2qbk h VAL 57 N -0.12 0.33 0.00 1.22 2.07 -0.59 -1.82 116.25 117.33 2qbk h VAL 57 Ca 0.15 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.40 2qbk h VAL 57 Cb 0.34 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2qbk h VAL 57 CO -0.35 0.00 1.40 -0.38 0.02 0.00 0.00 177.57 178.25 2qbk n ILE 58 N -5.40 2.30 0.00 4.57 5.41 -0.33 -1.64 119.36 124.28 2qbk n ILE 58 Ca -0.01 -1.28 0.00 0.00 1.00 0.00 0.00 62.75 62.46 2qbk n ILE 58 Cb 0.31 -2.01 0.00 0.00 -0.71 0.00 0.00 39.64 37.23 2qbk n ILE 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qbk n ALA 59 N 3.42 0.08 0.15 -1.39 0.00 -0.70 -4.87 120.51 117.20 2qbk n ALA 59 Ca 0.38 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.92 2qbk n ALA 59 Cb 0.35 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.87 2qbk n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbk n LEU 61 N -2.95 3.61 -0.19 0.00 4.77 -1.11 -0.53 117.00 120.60 2qbk n LEU 61 Ca 0.01 -5.43 -0.01 0.00 -0.03 0.00 0.00 56.01 50.55 2qbk n LEU 61 Cb 0.60 -0.54 0.10 0.00 -2.33 0.00 0.00 43.42 41.25 2qbk n LEU 61 CO 0.38 2.12 0.97 -0.65 -1.33 0.00 0.00 177.39 178.88 2qbk h PRO 62 N 3.92 0.37 -1.04 3.23 0.11 -1.87 -1.80 132.00 134.92 2qbk h PRO 62 Ca 0.18 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 66.04 2qbk h PRO 62 Cb 0.65 -0.08 -0.13 0.00 0.11 0.00 0.00 31.00 31.55 2qbk h PRO 62 CO 0.80 0.24 0.29 0.66 -0.21 0.00 0.00 178.00 179.78 2qbk n TYR 63 N -5.01 1.30 0.97 0.65 4.01 -1.26 -5.04 117.16 112.79 2qbk n TYR 63 Ca 0.08 -1.13 0.08 0.00 -0.16 0.00 0.00 57.90 56.77 2qbk n TYR 63 Cb 0.26 -0.57 0.46 0.00 -0.31 0.00 0.00 39.34 39.18 2qbk n TYR 63 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40