#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbf s ILE 4 N 0.00 0.10 0.57 3.15 -5.25 -1.26 -5.15 121.20 113.36 2qbf s ILE 4 Ca 0.00 -0.79 -0.21 0.00 -0.99 0.00 0.00 60.65 58.66 2qbf s ILE 4 Cb 0.00 -0.83 -0.04 0.00 2.95 0.00 0.00 42.46 44.54 2qbf s ILE 4 CO 0.00 -0.43 1.35 -0.13 -1.79 0.00 0.00 174.94 173.93 2qbf s ARG 5 N -2.29 3.00 -0.27 0.37 0.52 -1.26 -5.03 118.95 113.98 2qbf s ARG 5 Ca -0.07 2.21 -0.22 0.00 -0.52 0.00 0.00 55.73 57.12 2qbf s ARG 5 Cb -0.02 -2.16 0.07 0.00 0.52 0.00 0.00 34.95 33.36 2qbf s ARG 5 CO -0.02 -1.29 0.71 0.95 0.02 0.00 0.00 175.30 175.67 2qbf s THR 6 N -1.32 -0.00 0.31 0.02 -4.23 -1.26 -4.56 115.64 104.60 2qbf s THR 6 Ca 0.74 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 61.34 2qbf s THR 6 Cb -0.40 -1.00 -0.05 0.00 1.34 0.00 0.00 72.50 72.39 2qbf s THR 6 CO 0.46 0.00 0.04 -0.76 -0.54 0.00 0.00 174.62 173.82 2qbf s LEU 7 N 0.75 3.13 0.06 4.79 1.43 0.52 -4.91 118.68 124.46 2qbf s LEU 7 Ca -0.03 -0.80 0.01 0.00 -1.03 0.00 0.00 54.13 52.28 2qbf s LEU 7 Cb -0.05 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 2qbf s LEU 7 CO -0.05 -0.16 -0.06 0.00 0.23 0.00 0.00 176.35 176.30 2qbf s GLN 8 N -3.74 0.63 0.05 1.70 -2.07 -1.26 0.13 119.66 115.10 2qbf s GLN 8 Ca 0.34 -1.03 -0.28 0.00 -1.82 0.00 0.00 55.36 52.57 2qbf s GLN 8 Cb -0.03 -0.13 0.10 0.00 -1.09 0.00 0.00 33.01 31.86 2qbf s GLN 8 CO 0.20 -0.01 1.18 0.20 -1.32 0.00 0.00 175.29 175.54 2qbf s GLY 9 N -2.33 -0.26 0.01 2.60 0.00 -0.30 -4.77 107.32 102.26 2qbf s GLY 9 Ca 0.00 0.33 -0.29 0.00 0.00 0.00 0.00 44.72 44.76 2qbf s GLY 9 CO -0.03 1.21 0.95 1.09 0.00 0.00 0.00 173.10 176.32 2qbf s ARG 10 N -2.52 4.57 -1.18 2.90 1.70 -1.13 -2.42 118.95 120.87 2qbf s ARG 10 Ca 0.17 1.38 -0.22 0.00 -0.47 0.00 0.00 55.73 56.59 2qbf s ARG 10 Cb 0.02 -3.45 -0.03 0.00 -0.57 0.00 0.00 34.95 30.92 2qbf s ARG 10 CO -0.01 -0.01 1.85 0.08 -1.08 0.00 0.00 175.30 176.14 2qbf s VAL 11 N 0.86 3.71 0.39 4.99 1.01 -0.06 -1.46 120.40 129.85 2qbf s VAL 11 Ca 0.50 -1.12 0.11 0.00 0.00 0.00 0.00 61.98 61.47 2qbf s VAL 11 Cb -0.21 -4.71 0.33 0.00 0.00 0.00 0.00 36.38 31.79 2qbf s VAL 11 CO 0.27 -1.32 1.93 1.62 0.00 0.00 0.00 175.10 177.60 2qbf h VAL 12 N 6.17 0.88 -4.26 2.92 3.04 -1.81 0.16 116.25 123.36 2qbf h VAL 12 Ca 0.27 -0.19 -0.55 0.00 -1.01 0.00 0.00 66.70 65.21 2qbf h VAL 12 Cb 0.93 0.26 -0.28 0.00 -2.01 0.00 0.00 31.29 30.19 2qbf h VAL 12 CO 1.30 0.10 -0.83 -0.55 -1.01 0.00 0.00 177.57 176.58 2qbf s SER 13 N -6.02 2.17 -0.46 3.17 0.15 -0.75 -4.77 113.70 107.19 2qbf s SER 13 Ca -0.09 -0.40 0.05 0.00 0.70 0.00 0.00 55.95 56.22 2qbf s SER 13 Cb 0.21 -0.21 0.18 0.00 -1.71 0.00 0.00 66.02 64.48 2qbf s SER 13 CO 0.77 0.18 0.51 -0.62 1.20 0.00 0.00 173.24 175.28 2qbf s ASP 14 N -0.71 0.17 0.09 5.45 3.68 -1.26 -2.80 116.67 121.28 2qbf s ASP 14 Ca 0.07 -2.46 0.00 0.00 2.13 0.00 0.00 52.55 52.29 2qbf s ASP 14 Cb -0.08 0.59 0.00 0.00 -1.45 0.00 0.00 42.92 41.99 2qbf s ASP 14 CO 0.00 -0.12 0.00 0.29 0.13 0.00 0.00 175.17 175.47 2qbf n LYS 15 N 2.92 0.00 -1.31 4.34 4.01 -1.26 -4.84 118.16 122.02 2qbf n LYS 15 Ca 0.24 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.63 2qbf n LYS 15 Cb 0.51 -0.05 -0.00 0.00 -0.51 0.00 0.00 35.03 34.99 2qbf n LYS 15 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 2qbf n MET 16 N -2.88 0.06 -2.31 1.97 2.81 -1.25 -4.83 117.12 110.70 2qbf n MET 16 Ca 0.00 0.02 -0.43 0.00 -1.81 0.00 0.00 57.70 55.49 2qbf n MET 16 Cb 0.00 -1.06 -0.02 0.00 -0.71 0.00 0.00 33.22 31.43 2qbf n MET 16 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2qbf s GLU 17 N -1.07 4.23 0.00 0.03 2.02 -1.26 -3.23 118.70 119.43 2qbf s GLU 17 Ca 0.60 1.81 0.00 0.00 0.02 0.00 0.00 54.97 57.40 2qbf s GLU 17 Cb -0.63 -3.79 0.00 0.00 0.10 0.00 0.00 34.13 29.81 2qbf s GLU 17 CO 0.62 -0.71 0.00 1.63 0.02 0.00 0.00 175.26 176.82 2qbf n LYS 18 N 6.54 0.00 -3.52 1.61 5.02 -1.26 -4.91 118.16 121.65 2qbf n LYS 18 Ca 0.14 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.06 2qbf n LYS 18 Cb 0.44 -2.34 -0.06 0.00 -0.02 0.00 0.00 35.03 33.05 2qbf n LYS 18 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2qbf s SER 19 N -0.82 6.61 0.08 4.39 0.01 -1.20 0.23 113.70 123.00 2qbf s SER 19 Ca 0.00 0.72 0.04 0.00 1.31 0.00 0.00 55.95 58.02 2qbf s SER 19 Cb 0.00 -2.21 -0.03 0.00 0.21 0.00 0.00 66.02 63.98 2qbf s SER 19 CO 0.00 0.19 -0.11 -0.51 0.41 0.00 0.00 173.24 173.23 2qbf s ILE 20 N -0.19 0.88 -0.16 1.44 1.10 -0.43 -3.78 121.20 120.06 2qbf s ILE 20 Ca 0.21 -1.42 0.00 0.00 -0.51 0.00 0.00 60.65 58.93 2qbf s ILE 20 Cb -0.15 -1.10 -0.00 0.00 0.15 0.00 0.00 42.46 41.36 2qbf s ILE 20 CO 0.08 -0.43 -0.15 -0.69 -2.11 0.00 0.00 174.94 171.64 2qbf s VAL 21 N -1.89 2.68 0.06 4.00 1.01 -1.12 0.70 120.40 125.84 2qbf s VAL 21 Ca -0.00 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.30 2qbf s VAL 21 Cb -0.06 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 2qbf s VAL 21 CO 0.01 0.51 -0.23 -0.69 0.00 0.00 0.00 175.10 174.70 2qbf s VAL 22 N 0.87 1.86 -0.12 2.92 1.01 -0.28 -1.81 120.40 124.85 2qbf s VAL 22 Ca -0.04 -1.36 -0.06 0.00 0.00 0.00 0.00 61.98 60.52 2qbf s VAL 22 Cb -0.15 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 2qbf s VAL 22 CO -0.01 0.19 0.09 0.00 0.00 0.00 0.00 175.10 175.37 2qbf s ALA 23 N -0.89 3.63 -0.22 5.51 0.00 -0.53 -1.14 121.76 128.12 2qbf s ALA 23 Ca 0.09 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.36 2qbf s ALA 23 Cb -0.09 -1.83 0.05 0.00 0.00 0.00 0.00 23.12 21.25 2qbf s ALA 23 CO 0.03 0.53 -0.08 0.42 0.00 0.00 0.00 175.76 176.65 2qbf s ILE 24 N -0.72 1.64 0.90 0.00 1.09 0.12 -2.84 121.20 121.39 2qbf s ILE 24 Ca 0.13 -1.17 -0.14 0.00 -1.10 0.00 0.00 60.65 58.37 2qbf s ILE 24 Cb -0.12 -1.81 0.14 0.00 -1.06 0.00 0.00 42.46 39.62 2qbf s ILE 24 CO 0.03 0.02 1.20 -1.61 -0.10 0.00 0.00 174.94 174.48 2qbf s GLU 25 N 1.37 1.18 -0.30 2.79 2.02 -1.26 -0.23 118.70 124.28 2qbf s GLU 25 Ca -0.04 0.02 -0.26 0.00 0.02 0.00 0.00 54.97 54.71 2qbf s GLU 25 Cb -0.18 -1.87 0.20 0.00 0.10 0.00 0.00 34.13 32.38 2qbf s GLU 25 CO -0.07 -2.12 1.47 -0.98 0.02 0.00 0.00 175.26 173.58 2qbf s ARG 26 N -5.56 0.01 0.93 1.61 1.70 0.26 -4.88 118.95 113.02 2qbf s ARG 26 Ca 0.66 0.01 -0.14 0.00 -0.47 0.00 0.00 55.73 55.79 2qbf s ARG 26 Cb -0.10 0.01 0.16 0.00 -0.57 0.00 0.00 34.95 34.44 2qbf s ARG 26 CO 0.52 -0.00 1.22 -0.06 -1.08 0.00 0.00 175.30 175.90 2qbf s PHE 27 N -0.22 2.09 -0.30 5.89 0.08 -1.26 -1.07 117.98 123.18 2qbf s PHE 27 Ca 0.08 0.57 -0.18 0.00 0.12 0.00 0.00 56.93 57.52 2qbf s PHE 27 Cb -0.04 -3.73 0.21 0.00 -0.57 0.00 0.00 43.02 38.89 2qbf s PHE 27 CO -0.15 -2.44 1.31 0.54 -0.10 0.00 0.00 175.22 174.38 2qbf s VAL 28 N -3.60 -0.01 -0.18 -0.44 0.11 -1.03 -4.80 120.40 110.45 2qbf s VAL 28 Ca 0.68 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.46 2qbf s VAL 28 Cb -0.09 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.76 2qbf s VAL 28 CO 0.52 0.00 0.93 -0.75 -3.33 0.00 0.00 175.10 172.47 2qbf s LYS 29 N 1.49 4.30 0.03 1.54 2.20 -1.26 -1.03 119.74 127.02 2qbf s LYS 29 Ca -0.04 1.19 -0.30 0.00 -0.36 0.00 0.00 55.97 56.46 2qbf s LYS 29 Cb -0.01 -3.59 -0.09 0.00 -1.51 0.00 0.00 37.83 32.63 2qbf s LYS 29 CO -0.12 -0.43 1.98 -1.58 -0.36 0.00 0.00 175.35 174.83 2qbf s HIS 30 N 2.49 1.26 -0.26 4.03 5.65 -1.00 -4.80 115.29 122.66 2qbf s HIS 30 Ca 0.42 -0.46 0.00 0.00 0.25 0.00 0.00 55.06 55.27 2qbf s HIS 30 Cb -0.16 -4.25 0.00 0.00 -1.18 0.00 0.00 32.58 26.99 2qbf s HIS 30 CO 0.11 -5.59 0.00 -0.35 -0.65 0.00 0.00 174.74 168.26 2qbf n PRO 31 N 7.58 0.00 0.00 2.88 -0.04 -1.26 -1.61 135.00 142.55 2qbf n PRO 31 Ca 0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 2qbf n PRO 31 Cb 0.41 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 2qbf n PRO 31 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2qbf n ILE 32 N 0.87 0.00 -0.01 0.52 3.06 -1.26 -4.99 119.36 117.54 2qbf n ILE 32 Ca 0.00 0.00 -0.02 0.00 -2.50 0.00 0.00 62.75 60.23 2qbf n ILE 32 Cb 0.00 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.16 2qbf n ILE 32 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 2qbf n TYR 33 N 0.00 0.00 0.00 9.51 0.53 -0.83 -5.05 117.16 121.32 2qbf n TYR 33 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 2qbf n TYR 33 Cb 0.00 -0.12 0.00 0.00 -1.03 0.00 0.00 39.34 38.19 2qbf n TYR 33 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2qbf n GLY 34 N 3.02 2.72 2.90 2.72 0.00 -0.63 -4.92 105.19 110.99 2qbf n GLY 34 Ca -0.05 -0.65 -0.50 0.00 0.00 0.00 0.00 46.02 44.82 2qbf n GLY 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qbf n LYS 35 N 0.00 0.00 -2.73 1.61 3.00 -1.26 -3.45 118.16 115.33 2qbf n LYS 35 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 2qbf n LYS 35 Cb 0.00 -1.22 -0.03 0.00 0.00 0.00 0.00 35.03 33.78 2qbf n LYS 35 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2qbf s PHE 36 N 0.73 2.72 0.43 5.64 0.40 -1.26 -2.38 117.98 124.26 2qbf s PHE 36 Ca 0.77 0.19 -0.07 0.00 -0.60 0.00 0.00 56.93 57.22 2qbf s PHE 36 Cb -1.08 -4.26 -0.05 0.00 0.51 0.00 0.00 43.02 38.13 2qbf s PHE 36 CO 0.52 -1.44 0.75 0.42 0.70 0.00 0.00 175.22 176.17 2qbf s ILE 37 N 4.38 4.88 -0.41 0.64 1.01 -0.20 -4.75 121.20 126.75 2qbf s ILE 37 Ca 0.36 0.34 -0.12 0.00 0.00 0.00 0.00 60.65 61.23 2qbf s ILE 37 Cb -0.10 -3.80 0.05 0.00 0.01 0.00 0.00 42.46 38.62 2qbf s ILE 37 CO 0.22 -0.65 0.27 -0.75 0.00 0.00 0.00 174.94 174.03 2qbf s LYS 38 N -4.24 2.80 0.13 2.79 2.20 -1.26 -2.47 119.74 119.69 2qbf s LYS 38 Ca 0.48 -1.24 0.00 0.00 -0.36 0.00 0.00 55.97 54.85 2qbf s LYS 38 Cb -0.10 -3.85 -0.04 0.00 -1.51 0.00 0.00 37.83 32.33 2qbf s LYS 38 CO 0.38 -0.85 0.29 1.03 -0.36 0.00 0.00 175.35 175.84 2qbf s ARG 39 N 1.54 3.48 -0.03 4.03 3.00 -0.23 -4.88 118.95 125.86 2qbf s ARG 39 Ca 0.03 -0.44 0.03 0.00 0.00 0.00 0.00 55.73 55.35 2qbf s ARG 39 Cb -0.21 -2.95 0.00 0.00 0.00 0.00 0.00 34.95 31.79 2qbf s ARG 39 CO 0.06 0.52 -0.11 0.99 0.00 0.00 0.00 175.30 176.75 2qbf s THR 40 N -1.68 0.97 -0.11 0.02 2.01 -1.26 -0.57 115.64 115.02 2qbf s THR 40 Ca 0.36 -0.47 0.03 0.00 0.31 0.00 0.00 61.69 61.92 2qbf s THR 40 Cb -0.12 -0.85 -0.00 0.00 0.01 0.00 0.00 72.50 71.54 2qbf s THR 40 CO 0.28 0.29 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.40 2qbf s THR 41 N 0.12 2.22 -0.33 -0.82 2.01 0.68 -4.86 115.64 114.66 2qbf s THR 41 Ca -0.03 -0.96 -0.11 0.00 0.31 0.00 0.00 61.69 60.91 2qbf s THR 41 Cb -0.09 -1.87 -0.01 0.00 0.01 0.00 0.00 72.50 70.54 2qbf s THR 41 CO 0.01 0.55 0.19 -0.54 -0.69 0.00 0.00 174.62 174.14 2qbf s LYS 42 N 0.45 3.37 0.31 4.92 1.02 -1.26 0.14 119.74 128.69 2qbf s LYS 42 Ca -0.15 -0.71 0.08 0.00 0.02 0.00 0.00 55.97 55.21 2qbf s LYS 42 Cb -0.17 -3.68 -0.04 0.00 -0.52 0.00 0.00 37.83 33.42 2qbf s LYS 42 CO 0.06 -0.45 0.15 -0.51 -0.92 0.00 0.00 175.35 173.68 2qbf s LEU 43 N 1.66 3.40 -0.74 3.17 1.02 -0.29 -4.93 118.68 121.96 2qbf s LEU 43 Ca 0.05 -0.60 -0.03 0.00 0.02 0.00 0.00 54.13 53.56 2qbf s LEU 43 Cb -0.17 -1.93 0.19 0.00 0.02 0.00 0.00 46.19 44.30 2qbf s LEU 43 CO 0.08 -0.20 0.59 -1.00 0.02 0.00 0.00 176.35 175.85 2qbf s HIS 44 N -2.33 3.61 1.04 0.29 3.76 -1.26 -1.12 115.29 119.27 2qbf s HIS 44 Ca 0.36 -2.77 -0.13 0.00 -0.15 0.00 0.00 55.06 52.37 2qbf s HIS 44 Cb -0.05 -3.27 0.21 0.00 1.11 0.00 0.00 32.58 30.58 2qbf s HIS 44 CO 0.23 -0.81 1.09 0.08 -0.85 0.00 0.00 174.74 174.48 2qbf s VAL 45 N -0.53 1.96 -0.20 -0.90 1.01 0.22 -4.33 120.40 117.63 2qbf s VAL 45 Ca 0.21 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.20 2qbf s VAL 45 Cb -0.15 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.79 2qbf s VAL 45 CO -0.07 0.00 -0.18 -2.28 0.00 0.00 0.00 175.10 172.57 2qbf s HIS 46 N -2.95 2.88 -0.66 5.22 2.46 -0.70 -1.32 115.29 120.22 2qbf s HIS 46 Ca 0.66 -1.78 0.05 0.00 0.47 0.00 0.00 55.06 54.46 2qbf s HIS 46 Cb -0.18 -1.92 0.16 0.00 -0.13 0.00 0.00 32.58 30.50 2qbf s HIS 46 CO 0.58 -0.82 0.44 0.34 -2.47 0.00 0.00 174.74 172.81 2qbf s ASP 47 N 1.26 4.72 0.40 9.88 3.68 0.64 -2.22 116.67 135.03 2qbf s ASP 47 Ca 0.02 -3.67 0.20 0.00 2.13 0.00 0.00 52.55 51.23 2qbf s ASP 47 Cb -0.14 -1.64 1.14 0.00 -1.45 0.00 0.00 42.92 40.83 2qbf s ASP 47 CO -0.11 -0.12 1.75 -0.33 0.13 0.00 0.00 175.17 176.49 2qbf h GLU 48 N 5.65 0.34 -0.02 4.34 4.39 -1.97 0.24 114.58 127.54 2qbf h GLU 48 Ca 0.09 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2qbf h GLU 48 Cb 0.78 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 2qbf h GLU 48 CO 0.71 0.23 -0.06 0.09 -1.16 0.00 0.00 179.01 178.82 2qbf n ASN 49 N -4.64 2.42 -1.46 1.42 3.02 -1.26 -4.81 115.26 109.96 2qbf n ASN 49 Ca 0.27 -1.77 -0.16 0.00 -0.03 0.00 0.00 54.58 52.89 2qbf n ASN 49 Cb 0.95 0.05 -0.07 0.00 -0.61 0.00 0.00 39.78 40.10 2qbf n ASN 49 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2qbf n ASN 50 N 0.82 -4.11 -0.13 6.41 4.13 0.85 -4.81 115.26 118.43 2qbf n ASN 50 Ca 0.15 0.39 0.10 0.00 1.68 0.00 0.00 54.58 56.90 2qbf n ASN 50 Cb 0.51 -3.75 0.45 0.00 -1.54 0.00 0.00 39.78 35.45 2qbf n ASN 50 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 2qbf h GLU 51 N 0.00 0.52 -5.95 3.52 4.11 -1.92 -3.40 114.58 111.45 2qbf h GLU 51 Ca -0.32 -0.03 -0.56 0.00 0.07 0.00 0.00 59.36 58.52 2qbf h GLU 51 Cb 1.02 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 30.09 2qbf h GLU 51 CO 0.47 0.34 0.02 0.00 0.07 0.00 0.00 179.01 179.91 2qbf n GLY 53 N 3.13 1.39 3.78 0.00 0.00 -1.26 -5.04 105.19 107.20 2qbf n GLY 53 Ca -0.03 -2.06 -0.36 0.00 0.00 0.00 0.00 46.02 43.57 2qbf n GLY 53 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qbf s ILE 54 N 0.36 3.78 -1.08 -0.61 2.07 -1.26 -3.55 121.20 120.91 2qbf s ILE 54 Ca 0.05 1.36 -0.02 0.00 -1.41 0.00 0.00 60.65 60.64 2qbf s ILE 54 Cb -0.00 -3.70 0.00 0.00 0.13 0.00 0.00 42.46 38.89 2qbf s ILE 54 CO 0.03 0.01 0.25 0.61 -1.91 0.00 0.00 174.94 173.93 2qbf n GLY 55 N 0.32 -0.14 3.76 1.50 0.00 0.57 -4.76 105.19 106.44 2qbf n GLY 55 Ca 0.05 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2qbf n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qbf s ASP 56 N -2.65 5.55 -1.15 1.61 1.11 -1.23 -3.65 116.67 116.25 2qbf s ASP 56 Ca 0.13 0.08 -0.14 0.00 0.18 0.00 0.00 52.55 52.80 2qbf s ASP 56 Cb -0.06 -1.55 0.18 0.00 1.07 0.00 0.00 42.92 42.57 2qbf s ASP 56 CO 0.16 0.25 1.34 -0.69 1.18 0.00 0.00 175.17 177.41 2qbf s VAL 57 N -1.22 5.12 0.28 -1.27 1.01 -0.79 -0.88 120.40 122.66 2qbf s VAL 57 Ca 0.24 -2.59 0.03 0.00 0.00 0.00 0.00 61.98 59.65 2qbf s VAL 57 Cb -0.12 -4.85 -0.03 0.00 0.00 0.00 0.00 36.38 31.38 2qbf s VAL 57 CO 0.15 -1.54 0.44 0.68 0.00 0.00 0.00 175.10 174.83 2qbf s VAL 58 N 1.35 5.18 -0.00 2.92 -7.23 -1.02 0.13 120.40 121.74 2qbf s VAL 58 Ca 0.39 -0.77 0.08 0.00 -1.81 0.00 0.00 61.98 59.87 2qbf s VAL 58 Cb -0.04 -3.86 -0.02 0.00 0.56 0.00 0.00 36.38 33.02 2qbf s VAL 58 CO -0.02 -0.42 -0.24 -0.70 -0.31 0.00 0.00 175.10 173.40 2qbf s GLU 59 N -4.12 1.90 0.24 4.82 2.12 0.07 -1.15 118.70 122.57 2qbf s GLU 59 Ca 0.37 -0.92 0.01 0.00 0.36 0.00 0.00 54.97 54.79 2qbf s GLU 59 Cb -0.09 -1.89 -0.04 0.00 0.26 0.00 0.00 34.13 32.37 2qbf s GLU 59 CO 0.32 0.51 0.18 0.96 -0.54 0.00 0.00 175.26 176.69 2qbf s ILE 60 N -0.63 0.00 0.05 -3.70 -0.00 0.34 -0.64 121.20 116.62 2qbf s ILE 60 Ca 0.10 -1.99 0.00 0.00 -0.00 0.00 0.00 60.65 58.76 2qbf s ILE 60 Cb -0.09 -2.50 -0.03 0.00 -0.00 0.00 0.00 42.46 39.83 2qbf s ILE 60 CO -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 174.94 174.89 2qbf s ARG 61 N -3.95 0.59 0.25 0.37 1.70 -0.76 -0.35 118.95 116.79 2qbf s ARG 61 Ca 0.39 -1.06 -0.30 0.00 -0.47 0.00 0.00 55.73 54.30 2qbf s ARG 61 Cb 0.06 0.02 -0.09 0.00 -0.57 0.00 0.00 34.95 34.37 2qbf s ARG 61 CO 0.16 -0.05 1.13 -2.00 -1.08 0.00 0.00 175.30 173.46 2qbf s GLU 62 N -3.08 4.59 0.07 3.89 2.12 -1.26 -1.82 118.70 123.21 2qbf s GLU 62 Ca 0.01 1.82 0.00 0.00 0.36 0.00 0.00 54.97 57.16 2qbf s GLU 62 Cb 0.01 -3.21 -0.00 0.00 0.26 0.00 0.00 34.13 31.19 2qbf s GLU 62 CO -0.05 0.12 0.08 0.00 -0.54 0.00 0.00 175.26 174.86 2qbf s ARG 64 N -2.20 2.90 -0.46 0.00 1.70 -1.26 -4.63 118.95 114.99 2qbf s ARG 64 Ca 0.07 1.86 -0.26 0.00 -0.47 0.00 0.00 55.73 56.92 2qbf s ARG 64 Cb 0.00 -1.92 -0.06 0.00 -0.57 0.00 0.00 34.95 32.41 2qbf s ARG 64 CO 0.05 -1.27 2.27 -1.25 -1.08 0.00 0.00 175.30 174.02 2qbf s PRO 65 N -3.35 2.38 0.35 3.89 0.04 -1.26 -4.64 135.00 132.41 2qbf s PRO 65 Ca 0.78 1.37 0.26 0.00 0.04 0.00 0.00 61.00 63.46 2qbf s PRO 65 Cb -0.31 -4.51 0.86 0.00 0.04 0.00 0.00 34.50 30.57 2qbf s PRO 65 CO 0.34 -2.97 1.77 -0.07 0.04 0.00 0.00 177.00 176.11 2qbf h LEU 66 N 18.23 0.00 0.00 -3.56 4.07 -1.55 -3.47 115.31 129.03 2qbf h LEU 66 Ca -0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.69 2qbf h LEU 66 Cb 1.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.98 2qbf h LEU 66 CO 1.14 0.00 0.00 -0.24 -1.08 0.00 0.00 178.44 178.26 2qbf n SER 67 N -2.64 0.00 -4.53 -0.43 2.88 -0.87 -5.04 113.62 102.99 2qbf n SER 67 Ca 0.03 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.15 2qbf n SER 67 Cb 0.38 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 2qbf n SER 67 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2qbf n LYS 68 N -0.21 0.96 -4.22 -1.46 4.81 -1.26 -0.68 118.16 116.10 2qbf n LYS 68 Ca 0.00 0.34 -0.37 0.00 -0.87 0.00 0.00 58.31 57.42 2qbf n LYS 68 Cb 0.00 -1.73 -0.05 0.00 0.02 0.00 0.00 35.03 33.27 2qbf n LYS 68 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2qbf n THR 69 N -0.48 -0.54 -3.18 3.15 -2.24 -1.26 -4.88 114.28 104.86 2qbf n THR 69 Ca 0.11 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.91 2qbf n THR 69 Cb 0.37 -1.11 -0.01 0.00 -2.10 0.00 0.00 70.33 67.48 2qbf n THR 69 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2qbf s LYS 70 N -6.91 0.54 -0.00 -0.78 2.20 0.15 -4.42 119.74 110.51 2qbf s LYS 70 Ca 0.73 0.65 0.00 0.00 -0.36 0.00 0.00 55.97 56.99 2qbf s LYS 70 Cb -0.41 0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.16 2qbf s LYS 70 CO 0.90 -0.90 0.60 0.43 -0.36 0.00 0.00 175.35 176.02 2qbf n SER 71 N 5.41 0.17 -4.33 1.43 7.64 -1.26 -1.40 113.62 121.28 2qbf n SER 71 Ca 0.02 -1.21 -0.30 0.00 1.01 0.00 0.00 58.87 58.39 2qbf n SER 71 Cb 0.52 -0.03 -0.15 0.00 -1.01 0.00 0.00 64.21 63.55 2qbf n SER 71 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 2qbf s TRP 72 N -0.10 2.28 0.05 1.43 0.52 -1.26 -0.52 118.94 121.34 2qbf s TRP 72 Ca 0.00 -0.42 0.09 0.00 0.02 0.00 0.00 56.10 55.80 2qbf s TRP 72 Cb 0.00 -1.39 -0.03 0.00 -1.15 0.00 0.00 33.47 30.90 2qbf s TRP 72 CO 0.00 0.08 -0.25 0.99 0.02 0.00 0.00 176.95 177.79 2qbf s THR 73 N -0.75 2.00 0.27 2.01 2.01 -0.75 -1.71 115.64 118.72 2qbf s THR 73 Ca 0.11 -1.37 -0.29 0.00 0.31 0.00 0.00 61.69 60.44 2qbf s THR 73 Cb -0.10 -1.73 -0.10 0.00 0.01 0.00 0.00 72.50 70.59 2qbf s THR 73 CO 0.01 0.28 1.20 -0.22 -0.69 0.00 0.00 174.62 175.20 2qbf s LEU 74 N -1.32 4.49 -0.21 4.42 1.98 -0.94 -1.84 118.68 125.26 2qbf s LEU 74 Ca 0.11 2.41 -0.03 0.00 -2.89 0.00 0.00 54.13 53.72 2qbf s LEU 74 Cb -0.10 -3.63 -0.12 0.00 0.66 0.00 0.00 46.19 43.01 2qbf s LEU 74 CO 0.02 -0.34 -0.21 1.33 -1.89 0.00 0.00 176.35 175.26 2qbf n VAL 75 N 1.39 1.15 -3.79 1.68 0.24 0.19 -4.91 118.33 114.28 2qbf n VAL 75 Ca 0.01 -0.38 0.01 0.00 -2.04 0.00 0.00 64.34 61.93 2qbf n VAL 75 Cb 0.44 -1.43 0.00 0.00 -1.47 0.00 0.00 33.84 31.38 2qbf n VAL 75 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qbf s ARG 76 N -2.40 0.61 -0.03 7.34 1.70 -1.15 -5.03 118.95 120.00 2qbf s ARG 76 Ca -0.28 -0.37 0.01 0.00 -0.47 0.00 0.00 55.73 54.62 2qbf s ARG 76 Cb 0.09 0.19 -0.03 0.00 -0.57 0.00 0.00 34.95 34.62 2qbf s ARG 76 CO 0.43 -0.28 -0.02 0.08 -1.08 0.00 0.00 175.30 174.43 2qbf s VAL 77 N -2.34 4.07 -0.03 4.99 1.01 -1.26 -0.76 120.40 126.09 2qbf s VAL 77 Ca 0.20 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.71 2qbf s VAL 77 Cb 0.01 -2.76 0.06 0.00 0.00 0.00 0.00 36.38 33.69 2qbf s VAL 77 CO -0.01 0.47 1.02 0.52 0.00 0.00 0.00 175.10 177.10 2qbf n VAL 78 N 1.72 1.17 0.00 2.92 0.31 0.12 -4.94 118.33 119.63 2qbf n VAL 78 Ca -0.16 -1.24 0.00 0.00 -0.01 0.00 0.00 64.34 62.92 2qbf n VAL 78 Cb 0.53 0.35 0.00 0.00 -0.91 0.00 0.00 33.84 33.81 2qbf n VAL 78 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2qbf n GLU 79 N -0.68 0.00 -2.38 5.55 2.13 -1.18 -4.91 120.64 119.16 2qbf n GLU 79 Ca 0.03 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.46 2qbf n GLU 79 Cb 0.33 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.01 2qbf n GLU 79 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2qbf s LYS 80 N 0.00 3.05 0.42 5.31 3.01 -1.26 -1.88 119.74 128.39 2qbf s LYS 80 Ca 0.00 -0.13 0.00 0.00 -1.01 0.00 0.00 55.97 54.83 2qbf s LYS 80 Cb 0.00 -4.44 0.00 0.00 -1.01 0.00 0.00 37.83 32.38 2qbf s LYS 80 CO 0.00 -2.39 0.00 0.00 0.51 0.00 0.00 175.35 173.47 2qbf n ALA 81 N 10.51 -1.89 0.98 5.17 0.00 -1.26 -4.48 120.51 129.54 2qbf n ALA 81 Ca 0.14 0.45 0.10 0.00 0.00 0.00 0.00 53.44 54.12 2qbf n ALA 81 Cb 0.50 -1.14 0.52 0.00 0.00 0.00 0.00 19.45 19.33 2qbf n ALA 81 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2qbf n VAL 82 N -2.74 0.36 0.00 0.00 3.14 -1.24 -4.97 118.33 112.88 2qbf n VAL 82 Ca -0.02 0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 2qbf n VAL 82 Cb 0.38 -0.75 0.00 0.00 -1.06 0.00 0.00 33.84 32.41 2qbf n VAL 82 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55