#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qak s GLN 2 N 0.00 4.25 -0.18 -0.52 0.74 -1.26 -5.08 119.66 117.60 2qak s GLN 2 Ca 0.00 0.03 -0.01 0.00 0.05 0.00 0.00 55.36 55.43 2qak s GLN 2 Cb 0.00 -3.43 0.00 0.00 1.10 0.00 0.00 33.01 30.68 2qak s GLN 2 CO 0.00 0.25 -0.13 0.42 -0.55 0.00 0.00 175.29 175.28 2qak s ILE 3 N 0.46 2.78 0.77 -2.34 1.01 -1.26 -5.13 121.20 117.49 2qak s ILE 3 Ca 0.15 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 60.02 2qak s ILE 3 Cb -0.13 -2.21 0.12 0.00 0.01 0.00 0.00 42.46 40.26 2qak s ILE 3 CO 0.03 0.49 1.08 0.42 0.00 0.00 0.00 174.94 176.96 2qak s THR 4 N 1.09 2.17 -0.15 2.92 -4.23 -1.26 -5.04 115.64 111.14 2qak s THR 4 Ca 0.00 -0.34 0.18 0.00 -1.18 0.00 0.00 61.69 60.35 2qak s THR 4 Cb -0.14 -2.83 0.33 0.00 1.34 0.00 0.00 72.50 71.20 2qak s THR 4 CO -0.04 0.00 1.19 0.18 -0.54 0.00 0.00 174.62 175.41 2qak n LEU 5 N -3.09 2.57 0.02 4.79 4.77 -1.26 -4.60 117.00 120.21 2qak n LEU 5 Ca 0.12 -3.18 -0.01 0.00 -0.03 0.00 0.00 56.01 52.92 2qak n LEU 5 Cb 0.60 -0.46 0.28 0.00 -2.33 0.00 0.00 43.42 41.52 2qak n LEU 5 CO 0.46 0.79 0.86 -0.50 -1.33 0.00 0.00 177.39 177.68 2qak h TRP 6 N 0.30 0.49 -1.94 -1.77 4.06 -2.07 -3.43 115.95 111.59 2qak h TRP 6 Ca 0.00 -0.07 -0.60 0.00 2.06 0.00 0.00 58.89 60.28 2qak h TRP 6 Cb 1.06 -0.14 -0.13 0.00 -1.00 0.00 0.00 29.16 28.95 2qak h TRP 6 CO 0.15 0.56 -0.64 -0.65 -3.56 0.00 0.00 178.44 174.30 2qak s GLN 7 N -4.78 1.84 0.23 0.49 1.11 -1.26 -5.11 119.66 112.18 2qak s GLN 7 Ca -0.07 -2.00 -0.32 0.00 0.01 0.00 0.00 55.36 52.99 2qak s GLN 7 Cb 0.15 -1.57 -0.14 0.00 -1.01 0.00 0.00 33.01 30.45 2qak s GLN 7 CO 0.77 0.02 1.40 0.54 0.01 0.00 0.00 175.29 178.03 2qak n ARG 8 N -0.84 1.96 -2.06 2.91 1.74 -1.26 -4.88 116.66 114.23 2qak n ARG 8 Ca -0.05 0.70 -0.42 0.00 -0.77 0.00 0.00 57.85 57.31 2qak n ARG 8 Cb 0.65 -2.35 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 2qak n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2qak n PRO 9 N 2.13 3.02 -3.16 5.56 -0.04 -1.26 -4.96 135.00 136.30 2qak n PRO 9 Ca 0.12 -2.90 -0.39 0.00 -0.04 0.00 0.00 63.50 60.29 2qak n PRO 9 Cb 0.30 -3.31 -0.06 0.00 -0.04 0.00 0.00 33.50 30.39 2qak n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qak s LEU 10 N 2.58 4.50 0.19 1.53 1.43 -1.26 -1.46 118.68 126.20 2qak s LEU 10 Ca 0.48 1.33 0.03 0.00 -1.03 0.00 0.00 54.13 54.95 2qak s LEU 10 Cb 0.10 -3.02 -0.05 0.00 0.03 0.00 0.00 46.19 43.25 2qak s LEU 10 CO -0.03 0.18 -0.03 0.68 0.23 0.00 0.00 176.35 177.38 2qak s VAL 11 N -0.73 0.99 0.02 -1.59 -7.23 0.04 -4.94 120.40 106.96 2qak s VAL 11 Ca 0.32 -2.03 -0.20 0.00 -1.81 0.00 0.00 61.98 58.26 2qak s VAL 11 Cb -0.20 -2.15 -0.06 0.00 0.56 0.00 0.00 36.38 34.53 2qak s VAL 11 CO 0.20 -0.48 0.59 -0.89 -0.31 0.00 0.00 175.10 174.22 2qak s THR 12 N -3.45 4.86 0.17 5.32 2.01 -1.26 -1.15 115.64 122.14 2qak s THR 12 Ca 0.24 1.25 0.11 0.00 0.31 0.00 0.00 61.69 63.59 2qak s THR 12 Cb 0.05 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 2qak s THR 12 CO 0.05 0.45 -0.23 0.27 -0.69 0.00 0.00 174.62 174.47 2qak s ILE 13 N -0.40 2.18 -0.16 1.82 -4.36 0.15 -1.48 121.20 118.96 2qak s ILE 13 Ca 0.31 -1.93 0.02 0.00 -0.26 0.00 0.00 60.65 58.79 2qak s ILE 13 Cb -0.19 -2.00 0.01 0.00 1.25 0.00 0.00 42.46 41.54 2qak s ILE 13 CO 0.18 -0.12 -0.21 -0.75 0.24 0.00 0.00 174.94 174.28 2qak s LYS 14 N -2.53 3.02 -0.08 0.37 2.20 0.42 -1.37 119.74 121.77 2qak s LYS 14 Ca 0.17 -0.84 -0.06 0.00 -0.36 0.00 0.00 55.97 54.88 2qak s LYS 14 Cb -0.08 -2.50 0.03 0.00 -1.51 0.00 0.00 37.83 33.76 2qak s LYS 14 CO 0.08 -0.10 0.20 -1.50 -0.36 0.00 0.00 175.35 173.68 2qak s ILE 15 N 1.02 -0.01 -1.18 5.43 2.07 -0.50 -0.97 121.20 127.05 2qak s ILE 15 Ca -0.02 0.04 -0.02 0.00 -1.41 0.00 0.00 60.65 59.24 2qak s ILE 15 Cb -0.14 -0.30 0.01 0.00 0.13 0.00 0.00 42.46 42.16 2qak s ILE 15 CO -0.06 0.02 0.13 0.61 -1.91 0.00 0.00 174.94 173.72 2qak n GLY 16 N 3.31 -0.50 2.82 1.50 0.00 -1.26 -0.70 105.19 110.36 2qak n GLY 16 Ca -0.16 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2qak n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qak n GLY 17 N -0.93 1.11 3.66 -0.02 0.00 -1.26 -5.02 105.19 102.72 2qak n GLY 17 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 2qak n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qak s GLN 18 N -0.06 2.51 -0.16 1.61 -0.21 0.12 -5.11 119.66 118.36 2qak s GLN 18 Ca 0.00 -0.83 -0.09 0.00 0.02 0.00 0.00 55.36 54.46 2qak s GLN 18 Cb 0.00 -2.51 -0.05 0.00 1.00 0.00 0.00 33.01 31.45 2qak s GLN 18 CO 0.00 0.55 0.16 -0.51 -2.12 0.00 0.00 175.29 173.37 2qak s LEU 19 N -2.11 4.29 0.05 2.90 1.43 -1.26 -1.41 118.68 122.58 2qak s LEU 19 Ca 0.23 0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 53.70 2qak s LEU 19 Cb -0.11 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 2qak s LEU 19 CO 0.15 0.27 -0.01 -0.54 0.23 0.00 0.00 176.35 176.45 2qak s LYS 20 N -0.23 0.63 -0.02 1.70 1.02 -0.47 -4.98 119.74 117.39 2qak s LYS 20 Ca 0.12 -1.20 -0.05 0.00 0.02 0.00 0.00 55.97 54.86 2qak s LYS 20 Cb -0.12 0.22 -0.04 0.00 -0.52 0.00 0.00 37.83 37.37 2qak s LYS 20 CO 0.02 -0.12 0.22 -1.21 -0.92 0.00 0.00 175.35 173.33 2qak s GLU 21 N -3.92 3.51 0.02 1.68 2.02 -1.26 0.34 118.70 121.10 2qak s GLU 21 Ca 0.07 -0.16 -0.05 0.00 0.02 0.00 0.00 54.97 54.85 2qak s GLU 21 Cb 0.08 -3.10 -0.01 0.00 0.10 0.00 0.00 34.13 31.19 2qak s GLU 21 CO -0.10 0.68 0.09 0.00 0.02 0.00 0.00 175.26 175.94 2qak s ALA 22 N -1.26 -0.13 -0.17 5.21 0.00 -0.30 -4.43 121.76 120.67 2qak s ALA 22 Ca 0.25 -0.40 -0.17 0.00 0.00 0.00 0.00 51.96 51.65 2qak s ALA 22 Cb -0.13 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 2qak s ALA 22 CO 0.15 -0.24 0.44 -1.17 0.00 0.00 0.00 175.76 174.93 2qak s LEU 23 N -1.70 4.20 -0.23 0.00 2.96 0.19 -0.78 118.68 123.33 2qak s LEU 23 Ca -0.11 0.64 -0.29 0.00 -0.22 0.00 0.00 54.13 54.15 2qak s LEU 23 Cb -0.05 -2.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.03 2qak s LEU 23 CO -0.01 -0.05 1.45 -0.76 -1.32 0.00 0.00 176.35 175.65 2qak s LEU 24 N 1.06 3.95 -0.41 -0.68 1.43 -0.53 -0.36 118.68 123.14 2qak s LEU 24 Ca 0.22 1.51 0.02 0.00 -1.03 0.00 0.00 54.13 54.85 2qak s LEU 24 Cb -0.15 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.67 2qak s LEU 24 CO 0.08 -1.10 0.21 -0.62 0.23 0.00 0.00 176.35 175.15 2qak s ASP 25 N 3.32 3.70 0.60 2.29 3.68 -0.70 -4.74 116.67 124.81 2qak s ASP 25 Ca 0.63 -2.45 0.38 0.00 2.13 0.00 0.00 52.55 53.25 2qak s ASP 25 Cb -0.22 -0.99 1.90 0.00 -1.45 0.00 0.00 42.92 42.16 2qak s ASP 25 CO 0.25 -0.29 2.19 0.71 0.13 0.00 0.00 175.17 178.16 2qak h THR 26 N 5.45 0.10 -0.03 1.71 1.35 -1.93 -2.18 112.91 117.38 2qak h THR 26 Ca -0.03 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2qak h THR 26 Cb 0.94 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 2qak h THR 26 CO 0.47 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 2qak n GLY 27 N -0.63 -0.33 3.53 5.82 0.00 -1.26 -4.81 105.19 107.51 2qak n GLY 27 Ca -0.02 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 2qak n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qak s ALA 28 N -1.97 3.25 0.30 4.61 0.00 -0.82 -4.98 121.76 122.15 2qak s ALA 28 Ca 0.39 -0.94 0.11 0.00 0.00 0.00 0.00 51.96 51.52 2qak s ALA 28 Cb 0.20 -1.97 0.46 0.00 0.00 0.00 0.00 23.12 21.81 2qak s ALA 28 CO 0.32 -0.15 1.67 -0.44 0.00 0.00 0.00 175.76 177.17 2qak h ASP 29 N 7.46 0.01 -2.53 0.00 3.45 -1.87 -1.34 116.42 121.61 2qak h ASP 29 Ca -0.37 -0.01 -0.55 0.00 0.43 0.00 0.00 57.03 56.54 2qak h ASP 29 Cb 1.18 -0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 39.80 2qak h ASP 29 CO 0.63 0.55 -0.72 0.20 -1.57 0.00 0.00 179.24 178.34 2qak s ASN 30 N -6.87 3.21 -0.21 6.45 0.01 -1.26 -2.98 114.94 113.29 2qak s ASN 30 Ca -0.02 -1.10 -0.12 0.00 -0.71 0.00 0.00 52.86 50.91 2qak s ASN 30 Cb 0.13 -0.24 -0.05 0.00 0.41 0.00 0.00 41.25 41.50 2qak s ASN 30 CO 0.75 -0.15 0.22 -0.89 -1.51 0.00 0.00 177.10 175.52 2qak s THR 31 N -2.75 5.33 -0.13 1.60 2.01 -1.26 -3.12 115.64 117.32 2qak s THR 31 Ca 0.29 0.35 -0.01 0.00 0.31 0.00 0.00 61.69 62.63 2qak s THR 31 Cb -0.00 -3.56 0.03 0.00 0.01 0.00 0.00 72.50 68.98 2qak s THR 31 CO 0.13 0.36 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.68 2qak s VAL 32 N 0.80 0.93 0.06 3.82 1.01 -0.19 -0.32 120.40 126.51 2qak s VAL 32 Ca 0.12 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.77 2qak s VAL 32 Cb -0.13 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 2qak s VAL 32 CO 0.03 0.23 -0.03 -0.76 0.00 0.00 0.00 175.10 174.58 2qak s LEU 33 N 1.73 3.36 0.95 3.92 1.43 0.14 0.03 118.68 130.23 2qak s LEU 33 Ca 0.03 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 52.84 2qak s LEU 33 Cb -0.14 -2.04 0.05 0.00 0.03 0.00 0.00 46.19 44.10 2qak s LEU 33 CO -0.08 0.22 0.50 -1.84 0.23 0.00 0.00 176.35 175.38 2qak n GLU 34 N 0.95 -0.33 -1.64 1.70 -0.00 -1.25 -0.46 120.64 119.61 2qak n GLU 34 Ca -0.13 -0.05 -0.63 0.00 -0.00 0.00 0.00 57.16 56.35 2qak n GLU 34 Cb 0.52 -1.92 -0.09 0.00 -0.00 0.00 0.00 31.44 29.95 2qak n GLU 34 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2qak n GLU 35 N -2.05 0.09 -3.50 3.44 4.07 -1.24 -4.46 120.64 116.99 2qak n GLU 35 Ca 0.07 0.03 -0.11 0.00 -0.06 0.00 0.00 57.16 57.09 2qak n GLU 35 Cb 0.53 -1.55 -0.03 0.00 -0.06 0.00 0.00 31.44 30.34 2qak n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qak s MET 36 N 1.65 0.92 0.19 5.31 0.23 -1.26 -5.03 119.30 121.31 2qak s MET 36 Ca 0.98 -0.15 -0.17 0.00 -1.03 0.00 0.00 55.69 55.31 2qak s MET 36 Cb -1.36 0.43 -0.08 0.00 -1.53 0.00 0.00 34.83 32.29 2qak s MET 36 CO 0.69 -0.37 0.65 0.45 -2.03 0.00 0.00 175.02 174.42 2qak s SER 37 N -2.05 6.96 -0.03 -1.18 0.15 -1.26 -5.04 113.70 111.25 2qak s SER 37 Ca -0.00 1.28 -0.19 0.00 0.70 0.00 0.00 55.95 57.74 2qak s SER 37 Cb -0.01 -2.37 0.04 0.00 -1.71 0.00 0.00 66.02 61.97 2qak s SER 37 CO -0.04 0.06 0.41 -0.76 1.20 0.00 0.00 173.24 174.11 2qak s LEU 38 N -1.98 0.43 0.60 3.45 1.43 -1.26 -4.93 118.68 116.42 2qak s LEU 38 Ca 0.41 0.30 -0.16 0.00 -1.03 0.00 0.00 54.13 53.64 2qak s LEU 38 Cb -0.16 1.61 -0.03 0.00 0.03 0.00 0.00 46.19 47.65 2qak s LEU 38 CO 0.20 -0.47 1.09 -2.16 0.23 0.00 0.00 176.35 175.24 2qak s PRO 39 N -1.21 3.15 0.00 1.29 0.04 -1.26 -4.90 135.00 132.12 2qak s PRO 39 Ca -0.12 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.28 2qak s PRO 39 Cb -0.04 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2qak s PRO 39 CO 0.06 -0.97 0.00 0.41 0.04 0.00 0.00 177.00 176.54 2qak n GLY 40 N -0.53 -1.23 3.91 0.56 0.00 -1.26 -4.93 105.19 101.72 2qak n GLY 40 Ca 0.10 -1.57 -0.27 0.00 0.00 0.00 0.00 46.02 44.27 2qak n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qak s ARG 41 N -1.13 3.12 0.27 1.61 3.03 -1.26 -5.10 118.95 119.49 2qak s ARG 41 Ca 0.00 0.10 0.03 0.00 2.03 0.00 0.00 55.73 57.90 2qak s ARG 41 Cb 0.00 -2.28 -0.06 0.00 -1.03 0.00 0.00 34.95 31.58 2qak s ARG 41 CO 0.00 -0.57 0.04 1.67 -1.13 0.00 0.00 175.30 175.30 2qak s TRP 42 N -2.95 1.71 0.03 5.89 1.48 -1.26 -4.61 118.94 119.24 2qak s TRP 42 Ca 0.52 -0.98 0.07 0.00 -1.06 0.00 0.00 56.10 54.65 2qak s TRP 42 Cb -0.10 -1.04 -0.02 0.00 -1.16 0.00 0.00 33.47 31.14 2qak s TRP 42 CO 0.46 -0.07 -0.20 0.15 -4.06 0.00 0.00 176.95 173.23 2qak s LYS 43 N -3.90 1.39 0.39 3.25 1.02 -0.76 -4.90 119.74 116.23 2qak s LYS 43 Ca 0.33 -0.87 -0.27 0.00 0.02 0.00 0.00 55.97 55.18 2qak s LYS 43 Cb 0.07 -1.46 -0.09 0.00 -0.52 0.00 0.00 37.83 35.83 2qak s LYS 43 CO 0.12 0.38 1.34 -1.25 -0.92 0.00 0.00 175.35 175.01 2qak s PRO 44 N -1.02 4.05 -0.00 -1.68 0.04 -1.26 -0.70 135.00 134.43 2qak s PRO 44 Ca 0.07 2.24 -0.03 0.00 0.04 0.00 0.00 61.00 63.32 2qak s PRO 44 Cb -0.08 -2.85 -0.00 0.00 0.04 0.00 0.00 34.50 31.60 2qak s PRO 44 CO 0.01 -0.45 0.05 0.21 0.04 0.00 0.00 177.00 176.86 2qak s LYS 45 N -2.13 0.26 -0.15 4.56 2.20 -0.61 -4.86 119.74 119.00 2qak s LYS 45 Ca 0.55 -0.28 -0.05 0.00 -0.36 0.00 0.00 55.97 55.83 2qak s LYS 45 Cb -0.40 0.10 -0.04 0.00 -1.51 0.00 0.00 37.83 35.99 2qak s LYS 45 CO 0.52 -0.05 0.03 -1.64 -0.36 0.00 0.00 175.35 173.85 2qak s MET 46 N -0.84 3.70 0.04 4.03 -1.94 -1.26 0.02 119.30 123.04 2qak s MET 46 Ca -0.09 -0.39 0.07 0.00 -1.71 0.00 0.00 55.69 53.56 2qak s MET 46 Cb -0.06 -3.06 -0.02 0.00 2.01 0.00 0.00 34.83 33.71 2qak s MET 46 CO 0.00 0.36 -0.19 0.96 -0.01 0.00 0.00 175.02 176.14 2qak s ILE 47 N 0.08 1.56 -0.13 2.53 -4.36 -0.21 -4.97 121.20 115.70 2qak s ILE 47 Ca 0.03 -1.14 0.00 0.00 -0.26 0.00 0.00 60.65 59.29 2qak s ILE 47 Cb -0.13 -1.36 -0.01 0.00 1.25 0.00 0.00 42.46 42.21 2qak s ILE 47 CO 0.01 0.19 -0.14 -0.83 0.24 0.00 0.00 174.94 174.41 2qak s GLY 48 N -1.12 1.50 0.00 6.27 0.00 -1.26 -0.30 107.32 112.41 2qak s GLY 48 Ca 0.06 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.84 2qak s GLY 48 CO 0.02 -0.14 0.00 0.61 0.00 0.00 0.00 173.10 173.59 2qak n GLY 49 N 3.68 5.64 3.73 0.20 0.00 -0.17 -5.00 105.19 113.27 2qak n GLY 49 Ca -0.18 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 2qak n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qak s ILE 50 N 1.54 3.88 0.00 -0.61 1.01 -1.26 -3.53 121.20 122.23 2qak s ILE 50 Ca 0.00 1.50 0.00 0.00 0.00 0.00 0.00 60.65 62.15 2qak s ILE 50 Cb 0.00 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.51 2qak s ILE 50 CO 0.00 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.75 2qak n GLY 51 N 2.50 2.34 0.00 6.18 0.00 -1.26 -4.95 105.19 110.00 2qak n GLY 51 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2qak n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qak n GLY 52 N -2.00 0.52 3.47 -0.02 0.00 -1.23 -5.11 105.19 100.81 2qak n GLY 52 Ca 0.00 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 2qak n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qak s PHE 53 N -2.37 2.51 0.10 1.61 -0.71 -1.26 -1.00 117.98 116.86 2qak s PHE 53 Ca 0.00 -0.28 0.06 0.00 -1.04 0.00 0.00 56.93 55.68 2qak s PHE 53 Cb 0.00 -1.37 -0.03 0.00 -1.21 0.00 0.00 43.02 40.40 2qak s PHE 53 CO 0.00 0.34 -0.16 0.96 -1.34 0.00 0.00 175.22 175.02 2qak s ILE 54 N -1.06 1.37 0.02 -4.49 -4.36 0.58 -4.97 121.20 108.30 2qak s ILE 54 Ca 0.16 -1.53 -0.21 0.00 -0.26 0.00 0.00 60.65 58.81 2qak s ILE 54 Cb -0.10 -1.38 -0.06 0.00 1.25 0.00 0.00 42.46 42.16 2qak s ILE 54 CO 0.08 -0.25 0.61 0.00 0.24 0.00 0.00 174.94 175.62 2qak s ALA 55 N -1.57 3.50 0.27 2.27 0.00 -1.26 -1.04 121.76 123.92 2qak s ALA 55 Ca 0.05 0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.08 2qak s ALA 55 Cb -0.08 -2.75 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 2qak s ALA 55 CO 0.03 0.21 0.10 0.14 0.00 0.00 0.00 175.76 176.25 2qak s VAL 56 N -0.41 0.55 -0.16 0.00 -7.23 0.10 -4.43 120.40 108.82 2qak s VAL 56 Ca 0.31 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.46 2qak s VAL 56 Cb -0.19 -2.62 -0.02 0.00 0.56 0.00 0.00 36.38 34.11 2qak s VAL 56 CO 0.18 0.00 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.77 2qak s ARG 57 N -3.99 3.49 -0.25 4.82 0.52 -0.61 -1.57 118.95 121.36 2qak s ARG 57 Ca 0.37 -0.61 -0.14 0.00 -0.52 0.00 0.00 55.73 54.83 2qak s ARG 57 Cb 0.07 -2.82 -0.04 0.00 0.52 0.00 0.00 34.95 32.68 2qak s ARG 57 CO 0.14 0.14 0.31 -1.14 0.02 0.00 0.00 175.30 174.77 2qak s GLN 58 N 0.59 4.04 -0.15 3.54 0.74 0.13 -1.36 119.66 127.20 2qak s GLN 58 Ca -0.05 -0.04 -0.01 0.00 0.05 0.00 0.00 55.36 55.31 2qak s GLN 58 Cb -0.15 -3.62 -0.01 0.00 1.10 0.00 0.00 33.01 30.33 2qak s GLN 58 CO 0.03 -0.16 -0.12 0.71 -0.55 0.00 0.00 175.29 175.20 2qak s TYR 59 N 1.71 2.84 0.19 1.67 1.51 -0.66 -1.82 117.35 122.79 2qak s TYR 59 Ca 0.13 -0.70 0.04 0.00 -1.01 0.00 0.00 57.07 55.53 2qak s TYR 59 Cb -0.15 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 2qak s TYR 59 CO 0.09 -0.27 0.31 -0.51 -1.11 0.00 0.00 175.55 174.06 2qak s ASP 60 N 0.54 6.31 -1.27 2.29 1.01 -1.26 -1.16 116.67 123.13 2qak s ASP 60 Ca -0.08 0.12 -0.01 0.00 0.71 0.00 0.00 52.55 53.29 2qak s ASP 60 Cb -0.15 -1.88 0.00 0.00 1.01 0.00 0.00 42.92 41.90 2qak s ASP 60 CO 0.04 -0.00 0.88 1.67 0.21 0.00 0.00 175.17 177.97 2qak n GLN 61 N -0.91 -5.92 -3.80 8.23 -0.06 -1.10 -4.91 117.38 108.91 2qak n GLN 61 Ca -0.08 0.74 -0.35 0.00 -2.00 0.00 0.00 57.00 55.31 2qak n GLN 61 Cb 0.55 -5.56 -0.08 0.00 -4.06 0.00 0.00 30.24 21.09 2qak n GLN 61 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2qak s ILE 62 N -3.49 5.32 0.05 1.69 -1.09 0.07 -4.79 121.20 118.96 2qak s ILE 62 Ca 0.06 0.15 -0.29 0.00 -2.23 0.00 0.00 60.65 58.34 2qak s ILE 62 Cb -0.03 -3.41 -0.05 0.00 -1.58 0.00 0.00 42.46 37.40 2qak s ILE 62 CO 0.77 0.47 0.93 -0.22 -1.23 0.00 0.00 174.94 175.65 2qak s LEU 63 N 0.16 4.43 -0.00 2.97 2.96 -1.26 -1.55 118.68 126.39 2qak s LEU 63 Ca 0.08 1.66 0.01 0.00 -0.22 0.00 0.00 54.13 55.66 2qak s LEU 63 Cb -0.11 -3.50 -0.00 0.00 0.50 0.00 0.00 46.19 43.07 2qak s LEU 63 CO -0.01 -0.13 -0.02 -0.51 -1.32 0.00 0.00 176.35 174.36 2qak s ILE 64 N 0.40 0.19 -0.26 6.68 2.07 0.09 -4.45 121.20 125.93 2qak s ILE 64 Ca 0.47 -0.10 -0.04 0.00 -1.41 0.00 0.00 60.65 59.57 2qak s ILE 64 Cb -0.22 -0.17 0.01 0.00 0.13 0.00 0.00 42.46 42.21 2qak s ILE 64 CO 0.28 0.06 0.01 -1.61 -1.91 0.00 0.00 174.94 171.76 2qak s GLU 65 N -0.02 3.08 -0.21 3.50 2.02 -0.15 -0.72 118.70 126.21 2qak s GLU 65 Ca 0.01 -0.84 -0.02 0.00 0.02 0.00 0.00 54.97 54.14 2qak s GLU 65 Cb -0.01 -3.17 0.01 0.00 0.10 0.00 0.00 34.13 31.06 2qak s GLU 65 CO -0.00 -0.37 -0.10 0.42 0.02 0.00 0.00 175.26 175.23 2qak s ILE 66 N 1.44 2.84 -1.82 -1.63 1.01 0.50 -0.44 121.20 123.11 2qak s ILE 66 Ca 0.02 -0.72 -0.22 0.00 0.00 0.00 0.00 60.65 59.73 2qak s ILE 66 Cb -0.16 -2.29 0.22 0.00 0.01 0.00 0.00 42.46 40.23 2qak s ILE 66 CO -0.01 0.43 0.65 0.00 0.00 0.00 0.00 174.94 176.01 2qak n GLY 68 N -1.15 0.72 3.48 0.00 0.00 -1.26 -5.01 105.19 101.96 2qak n GLY 68 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2qak n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qak s HIS 69 N -2.68 3.09 0.21 1.61 4.02 0.36 -5.08 115.29 116.82 2qak s HIS 69 Ca 0.00 -0.36 -0.30 0.00 1.02 0.00 0.00 55.06 55.42 2qak s HIS 69 Cb 0.00 -2.14 -0.08 0.00 -1.02 0.00 0.00 32.58 29.34 2qak s HIS 69 CO 0.00 -0.22 1.07 0.15 1.02 0.00 0.00 174.74 176.76 2qak s LYS 70 N 1.12 4.65 0.01 1.40 1.02 -1.26 -0.37 119.74 126.31 2qak s LYS 70 Ca 0.03 1.70 -0.02 0.00 0.02 0.00 0.00 55.97 57.70 2qak s LYS 70 Cb -0.14 -3.26 -0.01 0.00 -0.52 0.00 0.00 37.83 33.90 2qak s LYS 70 CO 0.02 0.18 0.03 0.00 -0.92 0.00 0.00 175.35 174.66 2qak s ALA 71 N -0.63 -0.03 -0.08 5.17 0.00 0.10 -4.83 121.76 121.46 2qak s ALA 71 Ca 0.47 -0.41 0.04 0.00 0.00 0.00 0.00 51.96 52.05 2qak s ALA 71 Cb -0.29 0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.95 2qak s ALA 71 CO 0.36 -0.17 -0.22 0.42 0.00 0.00 0.00 175.76 176.16 2qak s ILE 72 N -1.36 1.86 0.00 0.00 1.01 -1.26 -0.74 121.20 120.71 2qak s ILE 72 Ca -0.15 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.59 2qak s ILE 72 Cb -0.09 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.77 2qak s ILE 72 CO -0.00 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.07 2qak n GLY 73 N 3.47 0.81 3.69 6.18 0.00 -0.59 -4.85 105.19 113.89 2qak n GLY 73 Ca -0.19 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 2qak n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qak s THR 74 N -2.19 4.80 -0.13 2.61 2.01 -1.26 -0.75 115.64 120.73 2qak s THR 74 Ca 0.00 2.04 0.03 0.00 0.31 0.00 0.00 61.69 64.06 2qak s THR 74 Cb 0.00 -4.31 0.01 0.00 0.01 0.00 0.00 72.50 68.21 2qak s THR 74 CO 0.00 0.04 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.07 2qak s VAL 75 N 1.80 1.97 -0.10 3.82 1.01 -0.31 -4.36 120.40 124.22 2qak s VAL 75 Ca 0.49 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 2qak s VAL 75 Cb -0.19 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 2qak s VAL 75 CO 0.20 0.53 0.29 -0.76 0.00 0.00 0.00 175.10 175.36 2qak s LEU 76 N 0.74 4.36 -0.12 3.92 1.43 0.57 -1.65 118.68 127.93 2qak s LEU 76 Ca -0.09 0.64 0.03 0.00 -1.03 0.00 0.00 54.13 53.67 2qak s LEU 76 Cb -0.16 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 43.71 2qak s LEU 76 CO 0.00 0.26 -0.21 -0.69 0.23 0.00 0.00 176.35 175.93 2qak s VAL 77 N -0.42 2.21 -1.68 -1.59 1.01 -0.46 0.24 120.40 119.70 2qak s VAL 77 Ca 0.18 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.21 2qak s VAL 77 Cb -0.14 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.37 2qak s VAL 77 CO 0.07 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.33 2qak n GLY 78 N 3.74 -1.01 2.75 4.51 0.00 0.40 -1.58 105.19 114.01 2qak n GLY 78 Ca -0.19 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 2qak n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qak n PRO 79 N 0.00 2.77 -4.01 1.61 -0.04 -1.26 -3.70 135.00 130.38 2qak n PRO 79 Ca 0.00 -2.56 -0.36 0.00 -0.04 0.00 0.00 63.50 60.54 2qak n PRO 79 Cb 0.00 -3.27 -0.07 0.00 -0.04 0.00 0.00 33.50 30.12 2qak n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2qak s THR 80 N 3.31 5.18 -1.28 0.52 -1.32 -1.26 -5.00 115.64 115.79 2qak s THR 80 Ca 0.48 0.09 0.21 0.00 -1.21 0.00 0.00 61.69 61.25 2qak s THR 80 Cb 0.14 -3.24 0.30 0.00 -1.51 0.00 0.00 72.50 68.19 2qak s THR 80 CO -0.08 0.61 1.67 -0.81 -2.21 0.00 0.00 174.62 173.80 2qak n PRO 81 N 2.10 0.20 -3.76 7.08 -0.04 -1.26 -4.55 135.00 134.77 2qak n PRO 81 Ca -0.19 0.11 -0.13 0.00 -0.04 0.00 0.00 63.50 63.25 2qak n PRO 81 Cb 0.54 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 2qak n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2qak s VAL 82 N -2.72 -0.01 0.13 0.52 0.11 -1.26 -5.08 120.40 112.09 2qak s VAL 82 Ca 0.17 0.02 -0.31 0.00 -2.93 0.00 0.00 61.98 58.93 2qak s VAL 82 Cb 0.14 -0.43 -0.08 0.00 -1.53 0.00 0.00 36.38 34.48 2qak s VAL 82 CO 0.34 0.01 1.36 0.20 -3.33 0.00 0.00 175.10 173.68 2qak s ASN 83 N 0.34 6.85 -0.18 3.54 0.01 -1.26 -4.70 114.94 119.54 2qak s ASN 83 Ca -0.02 2.33 0.01 0.00 -0.71 0.00 0.00 52.86 54.47 2qak s ASN 83 Cb -0.03 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.06 2qak s ASN 83 CO -0.01 -0.62 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.13 2qak s ILE 84 N 0.90 2.04 -0.37 0.60 1.01 0.10 -0.63 121.20 124.85 2qak s ILE 84 Ca 0.63 -0.93 -0.23 0.00 0.00 0.00 0.00 60.65 60.12 2qak s ILE 84 Cb -0.36 -1.84 0.01 0.00 0.01 0.00 0.00 42.46 40.27 2qak s ILE 84 CO 0.32 0.54 0.75 -0.63 0.00 0.00 0.00 174.94 175.92 2qak s ILE 85 N 1.29 4.75 0.43 2.92 -1.09 0.51 -1.03 121.20 128.99 2qak s ILE 85 Ca 0.05 0.77 -0.01 0.00 -2.23 0.00 0.00 60.65 59.23 2qak s ILE 85 Cb -0.13 -4.20 0.09 0.00 -1.58 0.00 0.00 42.46 36.64 2qak s ILE 85 CO -0.13 -0.44 0.59 0.61 -1.23 0.00 0.00 174.94 174.34 2qak n GLY 86 N 4.61 0.55 0.35 6.18 0.00 -1.18 -1.73 105.19 113.97 2qak n GLY 86 Ca 0.02 -1.98 0.05 0.00 0.00 0.00 0.00 46.02 44.11 2qak n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qak h ARG 87 N 0.00 0.83 -0.85 1.61 3.08 -1.33 -1.41 114.38 116.30 2qak h ARG 87 Ca -0.19 -0.05 0.14 0.00 0.07 0.00 0.00 59.98 59.95 2qak h ARG 87 Cb 0.70 -0.19 -0.06 0.00 0.08 0.00 0.00 29.97 30.50 2qak h ARG 87 CO 0.20 0.55 0.56 -2.95 -1.07 0.00 0.00 179.97 177.26 2qak h ASN 88 N 0.85 0.59 0.19 7.04 -1.07 -1.80 -1.81 115.58 119.58 2qak h ASN 88 Ca 0.32 0.03 -0.35 0.00 0.07 0.00 0.00 56.30 56.37 2qak h ASN 88 Cb 0.17 -0.08 -0.05 0.00 -2.07 0.00 0.00 38.32 36.29 2qak h ASN 88 CO -0.10 0.31 -2.10 0.18 0.07 0.00 0.00 177.43 175.78 2qak n LEU 89 N -4.54 1.40 -0.27 6.14 4.77 -0.96 -4.32 117.00 119.21 2qak n LEU 89 Ca 0.16 0.15 0.03 0.00 -0.03 0.00 0.00 56.01 56.33 2qak n LEU 89 Cb 0.47 -0.21 0.17 0.00 -2.33 0.00 0.00 43.42 41.52 2qak n LEU 89 CO 0.30 0.62 1.08 0.24 -1.33 0.00 0.00 177.39 178.31 2qak h MET 90 N 0.02 0.60 -0.89 3.23 2.86 -0.93 -1.29 114.93 118.53 2qak h MET 90 Ca -0.44 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.24 2qak h MET 90 Cb 2.06 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 33.53 2qak h MET 90 CO 0.04 0.40 0.57 1.79 1.06 0.00 0.00 176.91 180.77 2qak h THR 91 N 0.62 1.03 0.00 2.22 1.35 -1.54 -2.04 112.91 114.54 2qak h THR 91 Ca 0.39 -0.33 -0.05 0.00 -0.55 0.00 0.00 66.41 65.88 2qak h THR 91 Cb 0.46 -0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 66.86 2qak h THR 91 CO -0.30 0.18 -0.22 1.56 -0.25 0.00 0.00 175.52 176.49 2qak h GLN 92 N 0.96 0.00 -0.69 4.72 4.20 -1.43 -2.79 115.11 120.08 2qak h GLN 92 Ca 0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.10 2qak h GLN 92 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2qak h GLN 92 CO -0.15 0.22 0.00 0.44 -0.67 0.00 0.00 178.83 178.66 2qak n ILE 93 N -3.73 1.02 -1.64 2.54 -5.35 -0.91 -4.94 119.36 106.35 2qak n ILE 93 Ca -0.01 -0.95 -0.04 0.00 -0.27 0.00 0.00 62.75 61.48 2qak n ILE 93 Cb 0.33 0.42 -0.01 0.00 -1.74 0.00 0.00 39.64 38.64 2qak n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qak n GLY 94 N 1.55 0.42 3.68 3.28 0.00 -1.05 -4.99 105.19 108.07 2qak n GLY 94 Ca 0.23 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 2qak n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qak s THR 96 N 2.07 2.22 0.00 0.00 -4.23 -1.26 -4.65 115.64 109.80 2qak s THR 96 Ca 0.40 -2.17 -0.10 0.00 -1.18 0.00 0.00 61.69 58.65 2qak s THR 96 Cb -0.17 -2.12 -0.05 0.00 1.34 0.00 0.00 72.50 71.50 2qak s THR 96 CO 0.14 -0.31 0.32 -0.76 -0.54 0.00 0.00 174.62 173.46 2qak s LEU 97 N -3.05 4.40 -0.03 4.79 1.43 -1.26 -5.08 118.68 119.87 2qak s LEU 97 Ca 0.23 0.71 -0.08 0.00 -1.03 0.00 0.00 54.13 53.97 2qak s LEU 97 Cb -0.06 -2.63 0.01 0.00 0.03 0.00 0.00 46.19 43.54 2qak s LEU 97 CO 0.11 0.28 0.18 0.20 0.23 0.00 0.00 176.35 177.35 2qak s ASN 98 N -1.44 -0.09 0.00 2.29 -0.87 -1.26 -5.29 114.94 108.27 2qak s ASN 98 Ca 0.26 0.07 0.00 0.00 -1.57 0.00 0.00 52.86 51.62 2qak s ASN 98 Cb -0.14 0.30 0.00 0.00 -0.02 0.00 0.00 41.25 41.39 2qak s ASN 98 CO 0.14 -0.26 0.00 2.22 -2.57 0.00 0.00 177.10 176.63