#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 3.97 -0.18 0.54 0.74 -1.26 -5.09 119.66 118.38 2qak s GLN 2 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 55.36 55.42 2qak s GLN 2 Cb 0.00 -3.33 0.01 0.00 1.10 0.00 0.00 33.01 30.79 2qak s GLN 2 CO 0.00 0.47 -0.18 0.42 -0.55 0.00 0.00 175.29 175.45 2qak s ILE 3 N -0.18 2.27 0.76 -2.34 1.01 -1.26 -5.13 121.20 116.32 2qak s ILE 3 Ca 0.15 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 59.84 2qak s ILE 3 Cb -0.13 -1.96 0.09 0.00 0.01 0.00 0.00 42.46 40.47 2qak s ILE 3 CO 0.04 0.52 1.09 0.42 0.00 0.00 0.00 174.94 177.01 2qak s THR 4 N 1.29 2.17 -0.12 2.92 -4.23 -1.26 -5.02 115.64 111.38 2qak s THR 4 Ca 0.04 -0.21 0.18 0.00 -1.18 0.00 0.00 61.69 60.52 2qak s THR 4 Cb -0.13 -2.97 0.27 0.00 1.34 0.00 0.00 72.50 71.01 2qak s THR 4 CO -0.11 0.00 1.14 0.18 -0.54 0.00 0.00 174.62 175.29 2qak n LEU 5 N -3.10 2.28 0.20 4.79 4.77 -1.26 -4.54 117.00 120.14 2qak n LEU 5 Ca 0.09 -2.98 0.07 0.00 -0.03 0.00 0.00 56.01 53.16 2qak n LEU 5 Cb 0.60 -0.40 0.59 0.00 -2.33 0.00 0.00 43.42 41.88 2qak n LEU 5 CO 0.51 0.69 1.08 -0.50 -1.33 0.00 0.00 177.39 177.85 2qak h TRP 6 N 0.00 0.11 -2.36 -1.77 4.06 -2.07 -3.43 115.95 110.50 2qak h TRP 6 Ca 0.00 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.41 2qak h TRP 6 Cb 0.98 -0.04 -0.14 0.00 -1.00 0.00 0.00 29.16 28.97 2qak h TRP 6 CO 0.00 0.08 -0.65 -0.65 -3.56 0.00 0.00 178.44 173.66 2qak s GLN 7 N -5.14 1.69 0.22 0.49 -1.52 -1.26 -5.11 119.66 109.03 2qak s GLN 7 Ca -0.06 -1.89 -0.32 0.00 -1.95 0.00 0.00 55.36 51.15 2qak s GLN 7 Cb 0.17 -1.31 -0.13 0.00 -0.22 0.00 0.00 33.01 31.51 2qak s GLN 7 CO 0.68 0.01 1.44 0.54 -0.25 0.00 0.00 175.29 177.72 2qak n ARG 8 N -0.71 2.06 -2.25 2.91 1.74 -1.26 -4.89 116.66 114.27 2qak n ARG 8 Ca -0.05 0.74 -0.42 0.00 -0.77 0.00 0.00 57.85 57.35 2qak n ARG 8 Cb 0.64 -2.42 -0.00 0.00 -1.02 0.00 0.00 32.46 29.66 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 2.29 2.98 -3.19 5.56 -0.04 -1.26 -4.96 135.00 136.38 2qak n PRO 9 Ca 0.13 -2.99 -0.39 0.00 -0.04 0.00 0.00 63.50 60.20 2qak n PRO 9 Cb 0.31 -3.43 -0.06 0.00 -0.04 0.00 0.00 33.50 30.29 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 3.78 4.43 0.12 1.53 1.43 -1.26 -1.45 118.68 127.26 2qak s LEU 10 Ca 0.52 1.19 0.04 0.00 -1.03 0.00 0.00 54.13 54.85 2qak s LEU 10 Cb 0.07 -2.95 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 2qak s LEU 10 CO 0.03 0.10 -0.09 0.68 0.23 0.00 0.00 176.35 177.30 2qak s VAL 11 N -0.22 1.01 0.08 -1.59 -7.23 -0.15 -4.95 120.40 107.34 2qak s VAL 11 Ca 0.32 -1.94 -0.26 0.00 -1.81 0.00 0.00 61.98 58.28 2qak s VAL 11 Cb -0.18 -1.70 -0.06 0.00 0.56 0.00 0.00 36.38 34.99 2qak s VAL 11 CO 0.18 -0.74 0.82 -0.89 -0.31 0.00 0.00 175.10 174.16 2qak s THR 12 N -3.21 4.63 0.10 5.32 2.01 -1.26 -0.87 115.64 122.37 2qak s THR 12 Ca 0.13 1.76 0.10 0.00 0.31 0.00 0.00 61.69 63.99 2qak s THR 12 Cb 0.02 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 2qak s THR 12 CO -0.01 0.37 -0.26 0.27 -0.69 0.00 0.00 174.62 174.30 2qak s ILE 13 N -0.14 2.14 -0.20 1.82 -4.36 0.97 -1.71 121.20 119.71 2qak s ILE 13 Ca 0.41 -1.62 -0.03 0.00 -0.26 0.00 0.00 60.65 59.15 2qak s ILE 13 Cb -0.22 -1.88 -0.01 0.00 1.25 0.00 0.00 42.46 41.61 2qak s ILE 13 CO 0.25 0.14 -0.06 -0.75 0.24 0.00 0.00 174.94 174.77 2qak s LYS 14 N -1.80 3.40 -0.06 0.37 2.20 0.35 -0.90 119.74 123.29 2qak s LYS 14 Ca 0.12 -0.63 -0.03 0.00 -0.36 0.00 0.00 55.97 55.08 2qak s LYS 14 Cb -0.10 -2.94 0.04 0.00 -1.51 0.00 0.00 37.83 33.32 2qak s LYS 14 CO 0.05 -0.10 0.15 -1.50 -0.36 0.00 0.00 175.35 173.58 2qak s ILE 15 N 1.21 -0.05 -1.59 5.43 2.07 -0.58 -0.05 121.20 127.63 2qak s ILE 15 Ca 0.02 0.17 -0.12 0.00 -1.41 0.00 0.00 60.65 59.32 2qak s ILE 15 Cb -0.14 -0.24 0.10 0.00 0.13 0.00 0.00 42.46 42.31 2qak s ILE 15 CO -0.02 0.07 0.65 0.61 -1.91 0.00 0.00 174.94 174.34 2qak n GLY 16 N 4.12 -0.36 3.19 1.50 0.00 -1.26 -1.51 105.19 110.86 2qak n GLY 16 Ca -0.25 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.65 1.81 3.77 -0.02 0.00 -1.26 -5.01 105.19 102.83 2qak n GLY 17 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 2.97 -0.19 1.61 -0.21 -0.57 -5.11 119.66 118.11 2qak s GLN 18 Ca 0.00 -0.59 -0.09 0.00 0.02 0.00 0.00 55.36 54.70 2qak s GLN 18 Cb 0.00 -2.79 -0.05 0.00 1.00 0.00 0.00 33.01 31.18 2qak s GLN 18 CO 0.00 0.60 0.12 -0.51 -2.12 0.00 0.00 175.29 173.38 2qak s LEU 19 N -2.06 4.16 0.23 2.90 1.43 -1.26 -1.53 118.68 122.55 2qak s LEU 19 Ca 0.26 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.60 2qak s LEU 19 Cb -0.12 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 2qak s LEU 19 CO 0.18 0.21 0.08 -0.54 0.23 0.00 0.00 176.35 176.51 2qak s LYS 20 N 0.17 1.32 -0.04 1.70 1.02 -0.08 -4.99 119.74 118.85 2qak s LYS 20 Ca 0.08 -1.70 0.00 0.00 0.02 0.00 0.00 55.97 54.38 2qak s LYS 20 Cb -0.11 -0.18 -0.03 0.00 -0.52 0.00 0.00 37.83 36.99 2qak s LYS 20 CO -0.01 -0.28 -0.01 -2.00 -0.92 0.00 0.00 175.35 172.13 2qak s GLU 21 N -4.03 2.84 0.01 1.68 2.12 -1.26 -0.02 118.70 120.03 2qak s GLU 21 Ca 0.35 -0.53 -0.04 0.00 0.36 0.00 0.00 54.97 55.11 2qak s GLU 21 Cb 0.07 -2.69 -0.01 0.00 0.26 0.00 0.00 34.13 31.76 2qak s GLU 21 CO 0.11 0.66 0.05 0.00 -0.54 0.00 0.00 175.26 175.54 2qak s ALA 22 N -0.96 -0.09 -0.22 6.30 0.00 -0.05 -4.41 121.76 122.32 2qak s ALA 22 Ca 0.16 -0.38 -0.13 0.00 0.00 0.00 0.00 51.96 51.62 2qak s ALA 22 Cb -0.11 0.13 -0.05 0.00 0.00 0.00 0.00 23.12 23.10 2qak s ALA 22 CO 0.06 -0.19 0.27 -1.17 0.00 0.00 0.00 175.76 174.73 2qak s LEU 23 N -1.44 4.13 -0.27 0.00 2.96 0.42 -0.98 118.68 123.50 2qak s LEU 23 Ca -0.15 0.29 -0.29 0.00 -0.22 0.00 0.00 54.13 53.76 2qak s LEU 23 Cb -0.09 -2.29 -0.02 0.00 0.50 0.00 0.00 46.19 44.30 2qak s LEU 23 CO 0.00 0.00 1.61 -0.76 -1.32 0.00 0.00 176.35 175.88 2qak s LEU 24 N 1.18 3.79 -0.42 -0.68 1.43 -0.53 -0.33 118.68 123.12 2qak s LEU 24 Ca 0.13 1.45 0.02 0.00 -1.03 0.00 0.00 54.13 54.69 2qak s LEU 24 Cb -0.14 -3.53 0.12 0.00 0.03 0.00 0.00 46.19 42.67 2qak s LEU 24 CO 0.06 -1.35 0.20 -0.62 0.23 0.00 0.00 176.35 174.87 2qak s ASP 25 N 4.46 3.92 0.53 2.29 3.68 -0.71 -4.75 116.67 126.09 2qak s ASP 25 Ca 0.71 -2.44 0.35 0.00 2.13 0.00 0.00 52.55 53.30 2qak s ASP 25 Cb -0.23 -1.14 1.70 0.00 -1.45 0.00 0.00 42.92 41.80 2qak s ASP 25 CO 0.30 -0.30 2.06 0.71 0.13 0.00 0.00 175.17 178.06 2qak h THR 26 N 5.65 0.00 -0.01 1.71 1.35 -1.93 -2.32 112.91 117.37 2qak h THR 26 Ca -0.05 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 2qak h THR 26 Cb 0.95 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 2qak h THR 26 CO 0.51 0.00 -0.06 0.61 -0.25 0.00 0.00 175.52 176.33 2qak n GLY 27 N -0.57 -0.28 3.60 5.82 0.00 -1.26 -4.81 105.19 107.69 2qak n GLY 27 Ca -0.01 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.13 3.44 0.29 4.61 0.00 -0.87 -4.97 121.76 122.12 2qak s ALA 28 Ca 0.36 -0.92 0.11 0.00 0.00 0.00 0.00 51.96 51.51 2qak s ALA 28 Cb 0.21 -2.16 0.44 0.00 0.00 0.00 0.00 23.12 21.60 2qak s ALA 28 CO 0.38 -0.18 1.66 -0.44 0.00 0.00 0.00 175.76 177.18 2qak h ASP 29 N 7.52 0.00 -1.90 0.00 3.45 -1.87 -0.82 116.42 122.80 2qak h ASP 29 Ca -0.37 0.00 -0.62 0.00 0.43 0.00 0.00 57.03 56.47 2qak h ASP 29 Cb 1.17 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 39.81 2qak h ASP 29 CO 0.64 0.56 -0.66 0.20 -1.57 0.00 0.00 179.24 178.41 2qak s ASN 30 N -6.84 3.80 -0.22 6.45 0.01 -1.26 -3.04 114.94 113.84 2qak s ASN 30 Ca -0.02 -1.20 -0.10 0.00 -0.71 0.00 0.00 52.86 50.83 2qak s ASN 30 Cb 0.13 -0.37 -0.05 0.00 0.41 0.00 0.00 41.25 41.36 2qak s ASN 30 CO 0.75 -0.24 0.15 -0.89 -1.51 0.00 0.00 177.10 175.36 2qak s THR 31 N -2.61 5.38 -0.15 1.60 2.01 -1.26 -2.65 115.64 117.96 2qak s THR 31 Ca 0.33 0.18 -0.01 0.00 0.31 0.00 0.00 61.69 62.50 2qak s THR 31 Cb 0.03 -3.49 0.04 0.00 0.01 0.00 0.00 72.50 69.10 2qak s THR 31 CO 0.17 0.39 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.78 2qak s VAL 32 N 0.75 0.80 0.06 3.82 1.01 0.00 -0.78 120.40 126.06 2qak s VAL 32 Ca 0.08 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.67 2qak s VAL 32 Cb -0.12 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2qak s VAL 32 CO 0.02 0.09 -0.01 -0.76 0.00 0.00 0.00 175.10 174.43 2qak s LEU 33 N 1.77 3.42 0.98 3.92 1.43 0.48 0.09 118.68 130.77 2qak s LEU 33 Ca 0.01 -0.15 -0.13 0.00 -1.03 0.00 0.00 54.13 52.84 2qak s LEU 33 Cb -0.15 -2.10 0.07 0.00 0.03 0.00 0.00 46.19 44.04 2qak s LEU 33 CO -0.07 0.21 0.45 -0.62 0.23 0.00 0.00 176.35 176.55 2qak n GLU 34 N 0.87 -0.56 -1.69 1.70 1.02 -1.25 -1.04 120.64 119.68 2qak n GLU 34 Ca -0.12 -0.12 -0.59 0.00 -0.02 0.00 0.00 57.16 56.31 2qak n GLU 34 Cb 0.52 -1.90 -0.08 0.00 -0.02 0.00 0.00 31.44 29.96 2qak n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2qak n GLU 35 N -2.15 0.88 -3.54 3.49 4.07 -1.22 -4.43 120.64 117.73 2qak n GLU 35 Ca 0.06 0.32 -0.13 0.00 -0.06 0.00 0.00 57.16 57.35 2qak n GLU 35 Cb 0.55 -1.95 -0.04 0.00 -0.06 0.00 0.00 31.44 29.93 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 2.82 1.10 0.11 5.31 0.23 -1.26 -5.04 119.30 122.58 2qak s MET 36 Ca 0.97 -0.30 -0.10 0.00 -1.03 0.00 0.00 55.69 55.24 2qak s MET 36 Cb -1.14 0.50 -0.06 0.00 -1.53 0.00 0.00 34.83 32.60 2qak s MET 36 CO 0.66 -0.42 0.43 -1.54 -2.03 0.00 0.00 175.02 172.11 2qak s SER 37 N -2.18 6.64 0.05 -1.18 1.04 -1.26 -5.02 113.70 111.78 2qak s SER 37 Ca -0.03 0.80 -0.08 0.00 0.48 0.00 0.00 55.95 57.12 2qak s SER 37 Cb -0.00 -2.18 -0.00 0.00 0.10 0.00 0.00 66.02 63.93 2qak s SER 37 CO -0.05 0.12 0.17 -0.76 0.98 0.00 0.00 173.24 173.71 2qak s LEU 38 N -2.12 1.47 0.52 2.42 1.43 -1.26 -4.99 118.68 116.15 2qak s LEU 38 Ca 0.36 -0.46 -0.15 0.00 -1.03 0.00 0.00 54.13 52.86 2qak s LEU 38 Cb -0.13 0.89 -0.07 0.00 0.03 0.00 0.00 46.19 46.91 2qak s LEU 38 CO 0.19 -0.58 0.96 -2.16 0.23 0.00 0.00 176.35 175.00 2qak s PRO 39 N -2.81 3.88 0.00 1.29 0.04 -1.26 -4.92 135.00 131.21 2qak s PRO 39 Ca -0.03 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.87 2qak s PRO 39 Cb 0.00 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2qak s PRO 39 CO -0.05 -0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.12 2qak n GLY 40 N -1.71 -0.31 3.89 0.56 0.00 -1.26 -4.95 105.19 101.41 2qak n GLY 40 Ca 0.06 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.57 3.24 0.27 1.61 3.03 -1.26 -5.11 118.95 119.17 2qak s ARG 41 Ca 0.00 0.47 0.02 0.00 2.03 0.00 0.00 55.73 58.24 2qak s ARG 41 Cb 0.00 -2.13 -0.04 0.00 -1.03 0.00 0.00 34.95 31.75 2qak s ARG 41 CO 0.00 -0.70 0.12 1.67 -1.13 0.00 0.00 175.30 175.27 2qak s TRP 42 N -3.15 1.54 0.08 5.89 1.48 -1.26 -4.70 118.94 118.81 2qak s TRP 42 Ca 0.55 -1.27 0.07 0.00 -1.06 0.00 0.00 56.10 54.39 2qak s TRP 42 Cb -0.11 -0.86 -0.03 0.00 -1.16 0.00 0.00 33.47 31.31 2qak s TRP 42 CO 0.51 -0.43 -0.19 0.15 -4.06 0.00 0.00 176.95 172.93 2qak s LYS 43 N -3.96 1.08 0.39 3.25 1.02 -1.07 -4.93 119.74 115.53 2qak s LYS 43 Ca 0.37 -1.03 -0.27 0.00 0.02 0.00 0.00 55.97 55.05 2qak s LYS 43 Cb 0.07 -1.23 -0.10 0.00 -0.52 0.00 0.00 37.83 36.05 2qak s LYS 43 CO 0.15 0.29 1.39 -2.14 -0.92 0.00 0.00 175.35 174.12 2qak s PRO 44 N -1.66 4.01 -0.03 -1.68 0.02 -1.26 -0.96 135.00 133.43 2qak s PRO 44 Ca 0.04 2.35 -0.05 0.00 0.02 0.00 0.00 61.00 63.36 2qak s PRO 44 Cb -0.10 -2.85 0.01 0.00 0.02 0.00 0.00 34.50 31.58 2qak s PRO 44 CO 0.03 -0.53 0.12 0.21 -0.33 0.00 0.00 177.00 176.51 2qak s LYS 45 N -2.17 0.25 -0.18 5.54 2.20 -0.63 -4.85 119.74 119.89 2qak s LYS 45 Ca 0.55 -0.01 -0.08 0.00 -0.36 0.00 0.00 55.97 56.07 2qak s LYS 45 Cb -0.42 0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 35.96 2qak s LYS 45 CO 0.56 -0.04 0.09 -1.64 -0.36 0.00 0.00 175.35 173.95 2qak s MET 46 N -0.39 3.95 -0.03 4.03 -1.94 -1.26 0.11 119.30 123.77 2qak s MET 46 Ca -0.05 -0.29 0.06 0.00 -1.71 0.00 0.00 55.69 53.70 2qak s MET 46 Cb -0.03 -3.26 -0.01 0.00 2.01 0.00 0.00 34.83 33.54 2qak s MET 46 CO 0.00 0.35 -0.20 0.96 -0.01 0.00 0.00 175.02 176.12 2qak s ILE 47 N 0.18 1.61 -0.16 2.53 -4.36 -0.66 -4.98 121.20 115.37 2qak s ILE 47 Ca 0.06 -0.85 -0.14 0.00 -0.26 0.00 0.00 60.65 59.47 2qak s ILE 47 Cb -0.12 -1.35 -0.05 0.00 1.25 0.00 0.00 42.46 42.20 2qak s ILE 47 CO -0.00 0.46 0.29 -0.83 0.24 0.00 0.00 174.94 175.09 2qak s GLY 48 N -0.28 2.21 0.00 6.27 0.00 -1.26 -1.63 107.32 112.63 2qak s GLY 48 Ca 0.03 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 44.29 2qak s GLY 48 CO 0.01 0.40 0.00 0.61 0.00 0.00 0.00 173.10 174.12 2qak n GLY 49 N 3.32 3.54 0.10 0.20 0.00 -0.08 -5.01 105.19 107.26 2qak n GLY 49 Ca -0.12 -1.84 -0.15 0.00 0.00 0.00 0.00 46.02 43.91 2qak n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2qak h ILE 50 N 0.00 1.28 -0.00 -0.61 2.10 -2.03 -3.35 117.51 114.90 2qak h ILE 50 Ca 0.00 -2.92 0.00 0.00 1.08 0.00 0.00 64.86 63.02 2qak h ILE 50 Cb 0.00 2.80 0.00 0.00 -1.09 0.00 0.00 36.82 38.53 2qak h ILE 50 CO 0.00 0.83 -0.35 0.61 -1.08 0.00 0.00 178.15 178.16 2qak n GLY 51 N 1.59 -0.97 0.00 8.18 0.00 -1.26 -5.05 105.19 107.68 2qak n GLY 51 Ca -0.13 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 1.42 0.75 3.54 -0.02 0.00 -1.26 -5.14 105.19 104.48 2qak n GLY 52 Ca 0.09 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.16 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 -3.68 2.65 0.14 1.61 -0.71 -1.26 -0.90 117.98 115.83 2qak s PHE 53 Ca 0.00 -0.20 0.09 0.00 -1.04 0.00 0.00 56.93 55.77 2qak s PHE 53 Cb 0.00 -1.40 -0.04 0.00 -1.21 0.00 0.00 43.02 40.37 2qak s PHE 53 CO 0.00 0.41 -0.20 0.96 -1.34 0.00 0.00 175.22 175.05 2qak s ILE 54 N -1.18 1.80 -0.00 -4.49 -4.36 -0.65 -4.98 121.20 107.33 2qak s ILE 54 Ca 0.20 -1.77 -0.23 0.00 -0.26 0.00 0.00 60.65 58.58 2qak s ILE 54 Cb -0.11 -1.75 -0.05 0.00 1.25 0.00 0.00 42.46 41.81 2qak s ILE 54 CO 0.12 -0.20 0.70 0.00 0.24 0.00 0.00 174.94 175.80 2qak s ALA 55 N -1.68 3.39 0.36 2.27 0.00 -1.26 -1.65 121.76 123.19 2qak s ALA 55 Ca 0.12 0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.29 2qak s ALA 55 Cb -0.07 -2.91 -0.05 0.00 0.00 0.00 0.00 23.12 20.08 2qak s ALA 55 CO 0.06 0.04 0.07 0.14 0.00 0.00 0.00 175.76 176.07 2qak s VAL 56 N 0.17 1.13 -0.16 0.00 -7.23 0.30 -4.41 120.40 110.20 2qak s VAL 56 Ca 0.36 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.52 2qak s VAL 56 Cb -0.19 -2.69 -0.01 0.00 0.56 0.00 0.00 36.38 34.05 2qak s VAL 56 CO 0.20 0.00 -0.10 -0.13 -0.31 0.00 0.00 175.10 174.76 2qak s ARG 57 N -3.85 3.40 -0.29 4.82 0.52 -0.09 -1.61 118.95 121.86 2qak s ARG 57 Ca 0.32 -0.65 -0.16 0.00 -0.52 0.00 0.00 55.73 54.72 2qak s ARG 57 Cb 0.07 -2.77 -0.03 0.00 0.52 0.00 0.00 34.95 32.75 2qak s ARG 57 CO 0.15 0.08 0.44 -1.14 0.02 0.00 0.00 175.30 174.85 2qak s GLN 58 N 0.72 3.92 -0.17 3.54 0.74 -0.13 -0.97 119.66 127.31 2qak s GLN 58 Ca -0.05 0.05 -0.04 0.00 0.05 0.00 0.00 55.36 55.38 2qak s GLN 58 Cb -0.15 -3.70 -0.03 0.00 1.10 0.00 0.00 33.01 30.24 2qak s GLN 58 CO 0.02 -0.39 -0.02 0.71 -0.55 0.00 0.00 175.29 175.06 2qak s TYR 59 N 2.21 3.05 0.17 1.67 1.51 -0.31 -2.59 117.35 123.06 2qak s TYR 59 Ca 0.17 -0.30 0.02 0.00 -1.01 0.00 0.00 57.07 55.95 2qak s TYR 59 Cb -0.16 -1.99 -0.04 0.00 -0.11 0.00 0.00 41.96 39.66 2qak s TYR 59 CO 0.10 -0.06 0.32 -0.51 -1.11 0.00 0.00 175.55 174.29 2qak s ASP 60 N 0.50 6.35 -1.25 2.29 -0.00 -1.26 -0.74 116.67 122.56 2qak s ASP 60 Ca -0.02 0.21 -0.04 0.00 -0.00 0.00 0.00 52.55 52.70 2qak s ASP 60 Cb -0.14 -1.93 -0.01 0.00 -0.00 0.00 0.00 42.92 40.84 2qak s ASP 60 CO 0.02 0.01 0.74 1.67 -0.00 0.00 0.00 175.17 177.62 2qak n GLN 61 N -0.69 -3.98 -3.88 8.23 -0.06 -1.16 -4.90 117.38 110.95 2qak n GLN 61 Ca -0.07 0.62 -0.35 0.00 -2.00 0.00 0.00 57.00 55.21 2qak n GLN 61 Cb 0.54 -5.08 -0.09 0.00 -4.06 0.00 0.00 30.24 21.56 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 -3.60 5.10 0.11 1.69 -1.09 0.09 -4.79 121.20 118.71 2qak s ILE 62 Ca 0.13 0.08 -0.30 0.00 -2.23 0.00 0.00 60.65 58.33 2qak s ILE 62 Cb -0.04 -3.31 -0.07 0.00 -1.58 0.00 0.00 42.46 37.47 2qak s ILE 62 CO 0.81 0.46 1.18 -0.22 -1.23 0.00 0.00 174.94 175.94 2qak s LEU 63 N 0.29 4.41 -0.00 2.97 2.96 -1.26 -1.05 118.68 127.00 2qak s LEU 63 Ca 0.06 2.08 0.00 0.00 -0.22 0.00 0.00 54.13 56.06 2qak s LEU 63 Cb -0.12 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.99 2qak s LEU 63 CO -0.01 -0.40 -0.01 -0.51 -1.32 0.00 0.00 176.35 174.10 2qak s ILE 64 N 0.56 0.10 -0.31 6.68 2.07 0.42 -4.40 121.20 126.33 2qak s ILE 64 Ca 0.56 -0.03 -0.03 0.00 -1.41 0.00 0.00 60.65 59.74 2qak s ILE 64 Cb -0.30 -0.11 0.05 0.00 0.13 0.00 0.00 42.46 42.23 2qak s ILE 64 CO 0.32 0.04 0.03 -0.70 -1.91 0.00 0.00 174.94 172.72 2qak s GLU 65 N 0.11 2.44 -0.30 3.50 2.12 0.93 -1.05 118.70 126.45 2qak s GLU 65 Ca -0.01 -1.28 -0.06 0.00 0.36 0.00 0.00 54.97 53.98 2qak s GLU 65 Cb -0.02 -3.25 0.02 0.00 0.26 0.00 0.00 34.13 31.14 2qak s GLU 65 CO -0.00 -0.65 0.07 0.42 -0.54 0.00 0.00 175.26 174.56 2qak s ILE 66 N 1.27 3.82 -1.54 -3.70 1.01 0.21 -0.49 121.20 121.78 2qak s ILE 66 Ca -0.04 -0.84 -0.16 0.00 0.00 0.00 0.00 60.65 59.62 2qak s ILE 66 Cb -0.20 -3.02 0.13 0.00 0.01 0.00 0.00 42.46 39.39 2qak s ILE 66 CO -0.01 0.02 0.69 0.00 0.00 0.00 0.00 174.94 175.65 2qak n GLY 68 N -1.31 0.74 3.30 0.00 0.00 -1.26 -5.04 105.19 101.63 2qak n GLY 68 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.49 2.80 0.28 1.61 4.02 -0.43 -5.11 115.29 115.98 2qak s HIS 69 Ca 0.00 -0.89 -0.27 0.00 1.02 0.00 0.00 55.06 54.92 2qak s HIS 69 Cb 0.00 -1.89 -0.09 0.00 -1.02 0.00 0.00 32.58 29.58 2qak s HIS 69 CO 0.00 -0.38 0.93 0.15 1.02 0.00 0.00 174.74 176.45 2qak s LYS 70 N 0.69 4.67 -0.03 1.40 1.02 -1.26 -0.62 119.74 125.61 2qak s LYS 70 Ca -0.07 1.36 -0.11 0.00 0.02 0.00 0.00 55.97 57.18 2qak s LYS 70 Cb -0.15 -3.00 0.02 0.00 -0.52 0.00 0.00 37.83 34.17 2qak s LYS 70 CO 0.02 0.39 0.23 0.00 -0.92 0.00 0.00 175.35 175.07 2qak s ALA 71 N -1.43 -0.57 -0.11 5.17 0.00 -0.22 -4.83 121.76 119.77 2qak s ALA 71 Ca 0.46 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.69 2qak s ALA 71 Cb -0.21 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 2qak s ALA 71 CO 0.27 -0.21 -0.21 0.42 0.00 0.00 0.00 175.76 176.02 2qak s ILE 72 N -1.01 2.29 0.04 0.00 1.01 -1.26 -0.44 121.20 121.83 2qak s ILE 72 Ca -0.11 -0.94 -0.09 0.00 0.00 0.00 0.00 60.65 59.51 2qak s ILE 72 Cb -0.05 -1.89 0.03 0.00 0.01 0.00 0.00 42.46 40.55 2qak s ILE 72 CO 0.02 0.55 0.44 0.61 0.00 0.00 0.00 174.94 176.56 2qak n GLY 73 N 3.52 0.79 3.69 6.18 0.00 -0.21 -4.84 105.19 114.33 2qak n GLY 73 Ca -0.19 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.26 4.57 -0.10 2.61 2.01 -1.26 -0.73 115.64 120.48 2qak s THR 74 Ca 0.10 1.85 0.03 0.00 0.31 0.00 0.00 61.69 63.98 2qak s THR 74 Cb -0.01 -4.19 0.01 0.00 0.01 0.00 0.00 72.50 68.32 2qak s THR 74 CO 0.01 0.05 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.11 2qak s VAL 75 N 1.77 1.69 -0.09 3.82 1.01 0.08 -4.40 120.40 124.28 2qak s VAL 75 Ca 0.52 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 2qak s VAL 75 Cb -0.22 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 2qak s VAL 75 CO 0.22 0.48 0.24 -0.76 0.00 0.00 0.00 175.10 175.28 2qak s LEU 76 N 0.72 4.39 -0.08 3.92 1.43 0.04 -1.16 118.68 127.94 2qak s LEU 76 Ca -0.12 0.61 0.04 0.00 -1.03 0.00 0.00 54.13 53.64 2qak s LEU 76 Cb -0.16 -2.27 -0.00 0.00 0.03 0.00 0.00 46.19 43.79 2qak s LEU 76 CO 0.02 0.34 -0.23 -0.69 0.23 0.00 0.00 176.35 176.02 2qak s VAL 77 N -0.79 1.93 -2.48 -1.59 1.01 -0.14 -0.39 120.40 117.95 2qak s VAL 77 Ca 0.17 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.19 2qak s VAL 77 Cb -0.14 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.58 2qak s VAL 77 CO 0.07 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.31 2qak n GLY 78 N 3.38 -0.70 2.62 4.51 0.00 -0.21 -0.91 105.19 113.88 2qak n GLY 78 Ca -0.19 -0.89 -0.41 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 3.96 -3.46 1.61 -0.04 -1.26 -3.46 135.00 132.34 2qak n PRO 79 Ca 0.00 -3.23 -0.38 0.00 -0.04 0.00 0.00 63.50 59.85 2qak n PRO 79 Cb 0.00 -2.82 -0.06 0.00 -0.04 0.00 0.00 33.50 30.58 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 0.28 5.04 -0.73 0.52 -1.32 -1.26 -5.00 115.64 113.16 2qak s THR 80 Ca 0.50 0.87 0.24 0.00 -1.21 0.00 0.00 61.69 62.09 2qak s THR 80 Cb 0.15 -3.74 0.24 0.00 -1.51 0.00 0.00 72.50 67.64 2qak s THR 80 CO -0.05 0.54 1.72 -0.81 -2.21 0.00 0.00 174.62 173.81 2qak n PRO 81 N 2.14 0.15 -3.99 7.08 -0.04 -1.26 -4.41 135.00 134.66 2qak n PRO 81 Ca -0.13 0.26 -0.11 0.00 -0.04 0.00 0.00 63.50 63.48 2qak n PRO 81 Cb 0.52 -1.72 -0.12 0.00 -0.04 0.00 0.00 33.50 32.13 2qak n PRO 81 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2qak s VAL 82 N -3.14 0.20 0.12 0.52 -7.23 -1.26 -5.07 120.40 104.54 2qak s VAL 82 Ca 0.08 -0.61 -0.31 0.00 -1.81 0.00 0.00 61.98 59.34 2qak s VAL 82 Cb 0.12 -0.27 -0.07 0.00 0.56 0.00 0.00 36.38 36.71 2qak s VAL 82 CO 0.45 -0.26 1.28 0.20 -0.31 0.00 0.00 175.10 176.46 2qak s ASN 83 N -0.92 6.97 -0.21 4.85 0.01 -1.26 -4.70 114.94 119.68 2qak s ASN 83 Ca -0.08 2.21 0.00 0.00 -0.71 0.00 0.00 52.86 54.29 2qak s ASN 83 Cb -0.06 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.03 2qak s ASN 83 CO -0.00 -0.53 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.28 2qak s ILE 84 N 0.76 2.32 -0.34 0.60 -1.09 0.11 -0.44 121.20 123.12 2qak s ILE 84 Ca 0.59 -1.02 -0.21 0.00 -2.23 0.00 0.00 60.65 57.78 2qak s ILE 84 Cb -0.34 -2.08 0.00 0.00 -1.58 0.00 0.00 42.46 38.47 2qak s ILE 84 CO 0.32 0.39 0.67 -0.63 -1.23 0.00 0.00 174.94 174.46 2qak s ILE 85 N 1.28 4.87 0.16 2.92 -1.09 0.56 -0.82 121.20 129.08 2qak s ILE 85 Ca 0.02 0.72 0.00 0.00 -2.23 0.00 0.00 60.65 59.16 2qak s ILE 85 Cb -0.15 -4.09 0.03 0.00 -1.58 0.00 0.00 42.46 36.68 2qak s ILE 85 CO -0.10 -0.30 0.22 0.61 -1.23 0.00 0.00 174.94 174.15 2qak n GLY 86 N 4.58 1.00 0.28 6.18 0.00 -1.09 -1.73 105.19 114.41 2qak n GLY 86 Ca -0.00 -2.01 -0.00 0.00 0.00 0.00 0.00 46.02 44.00 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 0.57 -0.87 1.61 3.08 -1.22 -1.95 114.38 115.60 2qak h ARG 87 Ca -0.07 -0.11 0.16 0.00 0.07 0.00 0.00 59.98 60.03 2qak h ARG 87 Cb 0.28 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.18 2qak h ARG 87 CO 0.08 0.56 0.56 -2.95 -1.07 0.00 0.00 179.97 177.16 2qak h ASN 88 N 0.55 0.54 0.24 7.04 -1.07 -1.80 -1.98 115.58 119.10 2qak h ASN 88 Ca 0.12 0.04 -0.34 0.00 0.07 0.00 0.00 56.30 56.19 2qak h ASN 88 Cb 0.28 -0.07 -0.05 0.00 -2.07 0.00 0.00 38.32 36.42 2qak h ASN 88 CO 0.00 0.26 -2.02 0.18 0.07 0.00 0.00 177.43 175.93 2qak n LEU 89 N -4.54 1.44 -0.38 6.14 4.77 -1.00 -4.32 117.00 119.11 2qak n LEU 89 Ca 0.17 0.21 -0.02 0.00 -0.03 0.00 0.00 56.01 56.35 2qak n LEU 89 Cb 0.54 -0.25 0.12 0.00 -2.33 0.00 0.00 43.42 41.50 2qak n LEU 89 CO 0.30 0.61 1.30 0.24 -1.33 0.00 0.00 177.39 178.50 2qak h MET 90 N 0.02 1.31 -0.93 3.23 2.86 -0.99 -1.67 114.93 118.76 2qak h MET 90 Ca -0.41 -0.08 0.11 0.00 -2.06 0.00 0.00 59.70 57.26 2qak h MET 90 Cb 2.05 -0.30 -0.08 0.00 0.06 0.00 0.00 31.60 33.34 2qak h MET 90 CO 0.05 0.87 0.57 1.79 1.06 0.00 0.00 176.91 181.25 2qak h THR 91 N 1.35 0.93 0.00 2.22 1.35 -1.59 -1.65 112.91 115.52 2qak h THR 91 Ca 0.38 -0.32 -0.03 0.00 -0.55 0.00 0.00 66.41 65.89 2qak h THR 91 Cb -0.13 -0.08 -0.00 0.00 -1.73 0.00 0.00 68.15 66.20 2qak h THR 91 CO -0.09 0.17 -0.14 1.56 -0.25 0.00 0.00 175.52 176.77 2qak h GLN 92 N 0.93 0.00 -0.68 4.72 4.20 -1.50 -2.46 115.11 120.32 2qak h GLN 92 Ca 0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.16 2qak h GLN 92 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 2qak h GLN 92 CO -0.25 0.14 0.00 0.44 -0.67 0.00 0.00 178.83 178.49 2qak n ILE 93 N -3.58 1.34 -2.40 2.54 -5.35 -0.90 -4.94 119.36 106.07 2qak n ILE 93 Ca -0.01 -1.09 -0.12 0.00 -0.27 0.00 0.00 62.75 61.26 2qak n ILE 93 Cb 0.28 0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.53 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 1.38 -0.06 3.68 3.28 0.00 -0.92 -4.99 105.19 107.56 2qak n GLY 94 Ca 0.24 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 1.64 2.19 -0.05 0.00 -4.23 -1.26 -4.61 115.64 109.32 2qak s THR 96 Ca 0.37 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.75 2qak s THR 96 Cb -0.17 -2.04 -0.05 0.00 1.34 0.00 0.00 72.50 71.58 2qak s THR 96 CO 0.14 -0.18 0.34 -0.76 -0.54 0.00 0.00 174.62 173.63 2qak s LEU 97 N -2.67 4.42 -0.01 4.79 1.43 -1.26 -5.07 118.68 120.31 2qak s LEU 97 Ca 0.19 0.81 -0.03 0.00 -1.03 0.00 0.00 54.13 54.07 2qak s LEU 97 Cb -0.07 -2.46 -0.00 0.00 0.03 0.00 0.00 46.19 43.68 2qak s LEU 97 CO 0.09 0.30 0.06 0.20 0.23 0.00 0.00 176.35 177.23 2qak s ASN 98 N -0.82 0.04 0.00 2.29 0.01 -1.26 -5.29 114.94 109.91 2qak s ASN 98 Ca 0.21 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.24 2qak s ASN 98 Cb -0.15 0.14 0.00 0.00 0.41 0.00 0.00 41.25 41.65 2qak s ASN 98 CO 0.10 -0.18 0.00 2.22 -1.51 0.00 0.00 177.10 177.73