#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbh s ILE 4 N 0.00 -0.32 -0.09 3.15 -5.25 -1.26 -5.12 121.20 112.31 2qbh s ILE 4 Ca 0.00 0.17 -0.31 0.00 -0.99 0.00 0.00 60.65 59.52 2qbh s ILE 4 Cb 0.00 -0.56 -0.08 0.00 2.95 0.00 0.00 42.46 44.77 2qbh s ILE 4 CO 0.00 0.07 2.05 0.54 -1.79 0.00 0.00 174.94 175.81 2qbh n ARG 5 N 4.86 2.33 -4.04 0.37 5.12 -1.26 -4.96 116.66 119.09 2qbh n ARG 5 Ca -0.15 0.79 -0.09 0.00 -1.93 0.00 0.00 57.85 56.47 2qbh n ARG 5 Cb 0.52 -2.98 -0.08 0.00 -1.16 0.00 0.00 32.46 28.76 2qbh n ARG 5 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2qbh s THR 6 N 5.81 0.10 -0.06 0.55 -4.23 -1.26 -4.44 115.64 112.10 2qbh s THR 6 Ca 0.95 -1.62 -0.09 0.00 -1.18 0.00 0.00 61.69 59.75 2qbh s THR 6 Cb -0.48 -1.86 0.02 0.00 1.34 0.00 0.00 72.50 71.52 2qbh s THR 6 CO 0.42 -0.45 0.24 -0.76 -0.54 0.00 0.00 174.62 173.53 2qbh s LEU 7 N -2.99 1.12 -0.11 4.79 1.43 -0.35 -4.98 118.68 117.59 2qbh s LEU 7 Ca 0.18 0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 53.57 2qbh s LEU 7 Cb 0.06 0.88 -0.03 0.00 0.03 0.00 0.00 46.19 47.12 2qbh s LEU 7 CO -0.01 -0.19 -0.02 0.00 0.23 0.00 0.00 176.35 176.36 2qbh s GLN 8 N -0.36 3.27 0.08 1.70 -2.07 -1.26 0.42 119.66 121.44 2qbh s GLN 8 Ca -0.05 -0.46 -0.12 0.00 -1.82 0.00 0.00 55.36 52.91 2qbh s GLN 8 Cb -0.03 -2.84 0.01 0.00 -1.09 0.00 0.00 33.01 29.06 2qbh s GLN 8 CO 0.01 0.50 0.27 0.20 -1.32 0.00 0.00 175.29 174.96 2qbh s GLY 9 N -0.34 -0.06 0.37 2.60 0.00 0.84 -4.87 107.32 105.85 2qbh s GLY 9 Ca 0.06 -0.28 -0.26 0.00 0.00 0.00 0.00 44.72 44.25 2qbh s GLY 9 CO 0.02 -0.49 1.09 1.09 0.00 0.00 0.00 173.10 174.80 2qbh s ARG 10 N -3.40 4.25 -1.26 2.90 1.70 -1.12 -2.17 118.95 119.86 2qbh s ARG 10 Ca 0.01 1.65 -0.17 0.00 -0.47 0.00 0.00 55.73 56.75 2qbh s ARG 10 Cb 0.02 -2.72 0.09 0.00 -0.57 0.00 0.00 34.95 31.77 2qbh s ARG 10 CO -0.09 -0.10 1.64 0.08 -1.08 0.00 0.00 175.30 175.76 2qbh s VAL 11 N -1.49 4.34 0.61 4.99 1.01 0.04 -0.92 120.40 128.99 2qbh s VAL 11 Ca 0.54 -2.03 0.32 0.00 0.00 0.00 0.00 61.98 60.82 2qbh s VAL 11 Cb -0.26 -5.12 0.37 0.00 0.00 0.00 0.00 36.38 31.38 2qbh s VAL 11 CO 0.33 -1.92 2.26 1.62 0.00 0.00 0.00 175.10 177.39 2qbh h VAL 12 N 5.42 0.42 -2.94 2.92 3.04 -1.84 -2.00 116.25 121.26 2qbh h VAL 12 Ca 0.40 0.00 -0.12 0.00 -1.01 0.00 0.00 66.70 65.96 2qbh h VAL 12 Cb 0.88 0.98 -0.22 0.00 -2.01 0.00 0.00 31.29 30.92 2qbh h VAL 12 CO 1.40 0.00 -0.28 -0.55 -1.01 0.00 0.00 177.57 177.13 2qbh s SER 13 N -5.91 -0.28 -0.46 3.17 0.15 -1.07 -4.93 113.70 104.37 2qbh s SER 13 Ca -0.05 0.39 0.07 0.00 0.70 0.00 0.00 55.95 57.07 2qbh s SER 13 Cb 0.15 0.51 0.18 0.00 -1.71 0.00 0.00 66.02 65.15 2qbh s SER 13 CO 0.52 -0.30 0.67 -0.62 1.20 0.00 0.00 173.24 174.71 2qbh s ASP 14 N -0.62 -1.40 0.00 5.45 3.68 -1.26 -1.74 116.67 120.77 2qbh s ASP 14 Ca -0.07 -1.31 0.00 0.00 2.13 0.00 0.00 52.55 53.30 2qbh s ASP 14 Cb -0.04 1.88 0.00 0.00 -1.45 0.00 0.00 42.92 43.31 2qbh s ASP 14 CO 0.03 -0.11 0.09 0.29 0.13 0.00 0.00 175.17 175.59 2qbh n LYS 15 N 3.65 0.00 -3.90 4.34 5.02 -1.26 -4.84 118.16 121.17 2qbh n LYS 15 Ca 0.15 -0.09 -0.21 0.00 -2.02 0.00 0.00 58.31 56.14 2qbh n LYS 15 Cb 0.56 -0.47 -0.02 0.00 -0.02 0.00 0.00 35.03 35.08 2qbh n LYS 15 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2qbh s MET 16 N 0.00 3.33 -0.63 1.97 -1.94 -1.23 -5.03 119.30 115.76 2qbh s MET 16 Ca 0.00 -0.83 -0.27 0.00 -1.71 0.00 0.00 55.69 52.88 2qbh s MET 16 Cb 0.00 -2.84 0.00 0.00 2.01 0.00 0.00 34.83 34.00 2qbh s MET 16 CO 0.00 0.37 1.58 -1.21 -0.01 0.00 0.00 175.02 175.75 2qbh s GLU 17 N -4.00 2.97 0.00 2.03 2.02 -1.26 -3.58 118.70 116.89 2qbh s GLU 17 Ca 0.36 0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.69 2qbh s GLU 17 Cb -0.09 -4.26 0.00 0.00 0.10 0.00 0.00 34.13 29.88 2qbh s GLU 17 CO 0.29 -2.35 0.00 1.63 0.02 0.00 0.00 175.26 174.85 2qbh n LYS 18 N 9.11 0.00 -2.73 1.61 5.02 -1.26 -4.94 118.16 124.96 2qbh n LYS 18 Ca 0.13 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.00 2qbh n LYS 18 Cb 0.50 -1.18 -0.03 0.00 -0.02 0.00 0.00 35.03 34.30 2qbh n LYS 18 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2qbh s SER 19 N -0.61 6.79 -0.04 4.39 0.01 -1.23 0.21 113.70 123.21 2qbh s SER 19 Ca 0.00 0.79 0.03 0.00 1.31 0.00 0.00 55.95 58.08 2qbh s SER 19 Cb 0.00 -2.50 -0.03 0.00 0.21 0.00 0.00 66.02 63.70 2qbh s SER 19 CO 0.00 -0.87 -0.11 -0.63 0.41 0.00 0.00 173.24 172.05 2qbh s ILE 20 N 3.56 3.35 -0.12 1.44 1.09 -0.38 -3.57 121.20 126.57 2qbh s ILE 20 Ca 0.41 -0.70 -0.04 0.00 -1.10 0.00 0.00 60.65 59.23 2qbh s ILE 20 Cb -0.12 -2.37 -0.03 0.00 -1.06 0.00 0.00 42.46 38.88 2qbh s ILE 20 CO 0.17 0.53 0.01 -0.69 -0.10 0.00 0.00 174.94 174.86 2qbh s VAL 21 N -0.83 4.36 0.25 2.92 1.01 -0.71 0.10 120.40 127.50 2qbh s VAL 21 Ca 0.13 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 61.98 2qbh s VAL 21 Cb -0.11 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 2qbh s VAL 21 CO 0.03 0.55 -0.11 -0.69 0.00 0.00 0.00 175.10 174.88 2qbh s VAL 22 N -0.33 1.78 -0.17 2.92 1.01 -0.15 -2.61 120.40 122.85 2qbh s VAL 22 Ca 0.07 -2.19 -0.00 0.00 0.00 0.00 0.00 61.98 59.86 2qbh s VAL 22 Cb -0.12 -2.29 0.04 0.00 0.00 0.00 0.00 36.38 34.01 2qbh s VAL 22 CO 0.02 -0.42 -0.06 0.00 0.00 0.00 0.00 175.10 174.64 2qbh s ALA 23 N -2.94 1.56 -0.22 5.51 0.00 -0.09 -1.40 121.76 124.18 2qbh s ALA 23 Ca 0.27 -0.87 -0.05 0.00 0.00 0.00 0.00 51.96 51.30 2qbh s ALA 23 Cb 0.01 -1.13 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 2qbh s ALA 23 CO 0.10 -0.76 0.01 0.42 0.00 0.00 0.00 175.76 175.54 2qbh s ILE 24 N 1.60 3.94 0.47 0.00 1.09 -0.73 -2.80 121.20 124.77 2qbh s ILE 24 Ca 0.01 -0.31 -0.03 0.00 -1.10 0.00 0.00 60.65 59.22 2qbh s ILE 24 Cb -0.15 -2.80 -0.02 0.00 -1.06 0.00 0.00 42.46 38.43 2qbh s ILE 24 CO -0.08 0.40 0.74 -1.61 -0.10 0.00 0.00 174.94 174.29 2qbh s GLU 25 N 1.28 3.28 -0.29 2.79 2.02 -1.26 -0.51 118.70 126.02 2qbh s GLU 25 Ca 0.04 -0.12 -0.20 0.00 0.02 0.00 0.00 54.97 54.71 2qbh s GLU 25 Cb -0.15 -2.45 0.14 0.00 0.10 0.00 0.00 34.13 31.77 2qbh s GLU 25 CO 0.01 -0.26 1.00 -0.98 0.02 0.00 0.00 175.26 175.05 2qbh s ARG 26 N -4.67 0.43 0.80 1.61 1.70 0.30 -4.93 118.95 114.19 2qbh s ARG 26 Ca 0.48 0.63 -0.12 0.00 -0.47 0.00 0.00 55.73 56.25 2qbh s ARG 26 Cb -0.10 0.14 0.07 0.00 -0.57 0.00 0.00 34.95 34.49 2qbh s ARG 26 CO 0.42 -0.07 1.14 -0.06 -1.08 0.00 0.00 175.30 175.64 2qbh s PHE 27 N 0.87 2.95 -0.29 5.89 0.08 -1.26 0.97 117.98 127.19 2qbh s PHE 27 Ca -0.04 0.89 -0.16 0.00 0.12 0.00 0.00 56.93 57.74 2qbh s PHE 27 Cb -0.04 -3.33 0.17 0.00 -0.57 0.00 0.00 43.02 39.25 2qbh s PHE 27 CO -0.12 -1.73 1.05 0.54 -0.10 0.00 0.00 175.22 174.87 2qbh s VAL 28 N -3.42 -0.14 0.12 -0.44 0.11 -1.18 -4.81 120.40 110.63 2qbh s VAL 28 Ca 0.61 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.35 2qbh s VAL 28 Cb -0.12 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.65 2qbh s VAL 28 CO 0.51 0.00 1.34 -0.75 -3.33 0.00 0.00 175.10 172.87 2qbh s LYS 29 N 1.63 4.35 0.02 1.54 2.20 -1.26 -2.26 119.74 125.97 2qbh s LYS 29 Ca -0.06 2.01 -0.30 0.00 -0.36 0.00 0.00 55.97 57.25 2qbh s LYS 29 Cb -0.04 -3.26 -0.07 0.00 -1.51 0.00 0.00 37.83 32.95 2qbh s LYS 29 CO -0.15 -0.37 1.54 -1.58 -0.36 0.00 0.00 175.35 174.42 2qbh s HIS 30 N 0.96 2.58 0.00 4.03 5.65 -0.24 -4.84 115.29 123.43 2qbh s HIS 30 Ca 0.62 0.54 0.00 0.00 0.25 0.00 0.00 55.06 56.47 2qbh s HIS 30 Cb -0.35 -3.82 0.00 0.00 -1.18 0.00 0.00 32.58 27.23 2qbh s HIS 30 CO 0.31 -3.21 0.14 -0.35 -0.65 0.00 0.00 174.74 170.98 2qbh n PRO 31 N 5.65 0.08 0.00 2.88 -0.04 -1.26 -1.73 135.00 140.58 2qbh n PRO 31 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2qbh n PRO 31 Cb 0.42 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 2qbh n PRO 31 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2qbh n ILE 32 N 1.82 0.00 -0.03 0.52 3.06 -1.26 -4.99 119.36 118.49 2qbh n ILE 32 Ca 0.00 0.00 0.02 0.00 -2.50 0.00 0.00 62.75 60.27 2qbh n ILE 32 Cb 0.04 0.00 -0.12 0.00 0.54 0.00 0.00 39.64 40.10 2qbh n ILE 32 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 2qbh n TYR 33 N 0.00 0.00 0.00 9.51 0.53 -1.02 -5.02 117.16 121.16 2qbh n TYR 33 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 2qbh n TYR 33 Cb 0.00 -0.48 0.00 0.00 -1.03 0.00 0.00 39.34 37.83 2qbh n TYR 33 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2qbh n GLY 34 N 1.83 2.28 2.90 2.72 0.00 -0.70 -4.90 105.19 109.31 2qbh n GLY 34 Ca -0.10 -0.42 -0.51 0.00 0.00 0.00 0.00 46.02 44.99 2qbh n GLY 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qbh n LYS 35 N 0.00 0.00 -2.28 1.61 3.00 -1.26 -3.16 118.16 116.06 2qbh n LYS 35 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 2qbh n LYS 35 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 35.03 33.83 2qbh n LYS 35 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2qbh n PHE 36 N 2.11 2.94 -1.86 5.64 3.01 -1.25 -1.07 117.46 126.96 2qbh n PHE 36 Ca 0.20 -2.80 -0.42 0.00 1.01 0.00 0.00 57.45 55.44 2qbh n PHE 36 Cb 0.01 -1.98 -0.03 0.00 -0.01 0.00 0.00 39.48 37.48 2qbh n PHE 36 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2qbh s ILE 37 N 0.49 2.69 0.13 4.37 1.01 -0.96 -4.25 121.20 124.69 2qbh s ILE 37 Ca 0.40 0.33 -0.30 0.00 0.00 0.00 0.00 60.65 61.09 2qbh s ILE 37 Cb 0.10 -3.21 -0.07 0.00 0.01 0.00 0.00 42.46 39.29 2qbh s ILE 37 CO -0.00 0.01 1.23 -0.75 0.00 0.00 0.00 174.94 175.43 2qbh s LYS 38 N 2.03 4.44 0.30 2.79 2.36 -1.26 -3.10 119.74 127.30 2qbh s LYS 38 Ca 0.74 1.87 0.11 0.00 -2.55 0.00 0.00 55.97 56.14 2qbh s LYS 38 Cb -0.43 -3.28 -0.05 0.00 -1.05 0.00 0.00 37.83 33.02 2qbh s LYS 38 CO 0.33 -0.20 -0.12 0.50 1.55 0.00 0.00 175.35 177.40 2qbh s ARG 39 N 0.40 1.85 0.09 4.03 6.06 0.27 -4.90 118.95 126.75 2qbh s ARG 39 Ca 0.57 -1.74 0.04 0.00 -2.50 0.00 0.00 55.73 52.10 2qbh s ARG 39 Cb -0.32 -1.84 -0.03 0.00 0.06 0.00 0.00 34.95 32.81 2qbh s ARG 39 CO 0.33 0.28 -0.12 0.99 -2.50 0.00 0.00 175.30 174.28 2qbh s THR 40 N -2.50 1.02 -0.04 4.11 2.01 -1.26 0.11 115.64 119.09 2qbh s THR 40 Ca 0.31 -1.50 -0.02 0.00 0.31 0.00 0.00 61.69 60.79 2qbh s THR 40 Cb -0.03 -1.24 0.03 0.00 0.01 0.00 0.00 72.50 71.27 2qbh s THR 40 CO 0.17 -0.42 0.07 -0.89 -0.69 0.00 0.00 174.62 172.86 2qbh s THR 41 N -1.95 -0.12 0.16 -0.82 2.01 0.33 -4.95 115.64 110.30 2qbh s THR 41 Ca 0.02 0.37 -0.24 0.00 0.31 0.00 0.00 61.69 62.16 2qbh s THR 41 Cb -0.06 -0.16 -0.08 0.00 0.01 0.00 0.00 72.50 72.21 2qbh s THR 41 CO 0.01 0.15 0.74 -0.54 -0.69 0.00 0.00 174.62 174.29 2qbh s LYS 42 N 1.94 4.47 0.23 4.92 1.02 -1.26 -1.78 119.74 129.28 2qbh s LYS 42 Ca 0.01 1.05 0.03 0.00 0.02 0.00 0.00 55.97 57.08 2qbh s LYS 42 Cb -0.12 -3.21 -0.05 0.00 -0.52 0.00 0.00 37.83 33.93 2qbh s LYS 42 CO -0.04 0.56 0.03 -0.51 -0.92 0.00 0.00 175.35 174.48 2qbh s LEU 43 N -1.25 2.02 -0.51 3.17 1.02 -0.49 -4.97 118.68 117.67 2qbh s LEU 43 Ca 0.36 -1.27 0.03 0.00 0.02 0.00 0.00 54.13 53.27 2qbh s LEU 43 Cb -0.22 -0.16 0.14 0.00 0.02 0.00 0.00 46.19 45.98 2qbh s LEU 43 CO 0.24 -0.59 0.29 -1.00 0.02 0.00 0.00 176.35 175.31 2qbh s HIS 44 N -3.55 2.71 0.88 0.29 3.76 -1.26 -0.97 115.29 117.16 2qbh s HIS 44 Ca 0.31 -2.89 -0.12 0.00 -0.15 0.00 0.00 55.06 52.21 2qbh s HIS 44 Cb 0.07 -2.38 0.12 0.00 1.11 0.00 0.00 32.58 31.49 2qbh s HIS 44 CO 0.10 -0.73 1.12 0.08 -0.85 0.00 0.00 174.74 174.46 2qbh s VAL 45 N -0.22 2.33 -0.34 -0.90 1.01 0.28 -3.80 120.40 118.76 2qbh s VAL 45 Ca 0.19 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 2qbh s VAL 45 Cb -0.21 -2.83 0.06 0.00 0.00 0.00 0.00 36.38 33.41 2qbh s VAL 45 CO -0.03 -0.14 0.08 -2.28 0.00 0.00 0.00 175.10 172.73 2qbh s HIS 46 N -3.21 3.34 -0.90 5.22 2.46 0.57 -1.25 115.29 121.52 2qbh s HIS 46 Ca 0.63 -1.89 -0.01 0.00 0.47 0.00 0.00 55.06 54.27 2qbh s HIS 46 Cb -0.15 -2.44 0.26 0.00 -0.13 0.00 0.00 32.58 30.11 2qbh s HIS 46 CO 0.54 -0.83 0.99 -3.47 -2.47 0.00 0.00 174.74 169.50 2qbh n ASP 47 N 4.67 4.79 -0.28 9.88 4.64 0.55 -3.21 116.55 137.59 2qbh n ASP 47 Ca -0.10 -3.29 0.09 0.00 -1.38 0.00 0.00 54.79 50.11 2qbh n ASP 47 Cb 0.43 -1.03 0.22 0.00 -1.04 0.00 0.00 41.12 39.70 2qbh n ASP 47 CO 0.00 0.00 0.00 -0.08 -0.82 0.00 0.00 177.20 176.30 2qbh h GLU 48 N 5.41 0.13 -0.01 -0.67 4.22 -1.96 0.27 114.58 121.98 2qbh h GLU 48 Ca 0.18 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.62 2qbh h GLU 48 Cb 0.72 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2qbh h GLU 48 CO 1.00 0.09 -0.09 0.09 -2.18 0.00 0.00 179.01 177.91 2qbh n ASN 49 N -5.32 0.69 -1.00 1.04 3.02 -1.26 -4.76 115.26 107.67 2qbh n ASN 49 Ca 0.17 -0.86 -0.12 0.00 -0.03 0.00 0.00 54.58 53.75 2qbh n ASN 49 Cb 0.58 -0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.68 2qbh n ASN 49 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2qbh n ASN 50 N -0.69 -5.03 -0.03 6.41 4.13 0.96 -4.81 115.26 116.20 2qbh n ASN 50 Ca 0.16 0.30 0.19 0.00 1.68 0.00 0.00 54.58 56.92 2qbh n ASN 50 Cb 0.28 -3.95 0.66 0.00 -1.54 0.00 0.00 39.78 35.24 2qbh n ASN 50 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 2qbh h GLU 51 N 0.00 0.06 -6.06 3.52 4.11 -1.90 -3.41 114.58 110.90 2qbh h GLU 51 Ca -0.25 -0.00 -0.60 0.00 0.07 0.00 0.00 59.36 58.58 2qbh h GLU 51 Cb 1.10 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.29 2qbh h GLU 51 CO 0.36 0.04 -0.32 0.00 0.07 0.00 0.00 179.01 179.16 2qbh n GLY 53 N 0.68 3.80 3.79 0.00 0.00 -1.26 -5.08 105.19 107.11 2qbh n GLY 53 Ca -0.07 -2.22 -0.35 0.00 0.00 0.00 0.00 46.02 43.38 2qbh n GLY 53 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qbh s ILE 54 N -0.96 3.95 0.00 -0.61 2.07 -1.26 -3.40 121.20 120.98 2qbh s ILE 54 Ca 0.01 1.38 0.00 0.00 -1.41 0.00 0.00 60.65 60.63 2qbh s ILE 54 Cb -0.00 -3.66 0.00 0.00 0.13 0.00 0.00 42.46 38.93 2qbh s ILE 54 CO 0.01 -0.10 0.00 0.61 -1.91 0.00 0.00 174.94 173.55 2qbh n GLY 55 N 0.03 2.84 3.71 1.50 0.00 -0.75 -4.85 105.19 107.67 2qbh n GLY 55 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 2qbh n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qbh n ASP 56 N 0.42 1.87 -4.01 1.61 9.92 -1.22 -4.31 116.55 120.83 2qbh n ASP 56 Ca 0.00 0.84 -0.42 0.00 -0.53 0.00 0.00 54.79 54.68 2qbh n ASP 56 Cb 0.00 -1.53 -0.00 0.00 -0.64 0.00 0.00 41.12 38.95 2qbh n ASP 56 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2qbh n VAL 57 N -1.81 4.90 -3.15 2.53 0.31 0.22 -0.78 118.33 120.55 2qbh n VAL 57 Ca 0.15 -5.77 -0.34 0.00 -0.01 0.00 0.00 64.34 58.38 2qbh n VAL 57 Cb 0.48 -2.17 -0.06 0.00 -0.91 0.00 0.00 33.84 31.18 2qbh n VAL 57 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2qbh s VAL 58 N -2.49 4.66 0.06 2.52 -7.23 -0.92 -1.32 120.40 115.69 2qbh s VAL 58 Ca 0.32 1.03 0.06 0.00 -1.81 0.00 0.00 61.98 61.57 2qbh s VAL 58 Cb 0.03 -3.69 -0.04 0.00 0.56 0.00 0.00 36.38 33.24 2qbh s VAL 58 CO 0.06 -0.04 -0.10 -0.70 -0.31 0.00 0.00 175.10 174.01 2qbh s GLU 59 N -2.62 2.27 0.09 4.82 2.12 -1.01 -0.12 118.70 124.25 2qbh s GLU 59 Ca 0.50 -0.92 0.02 0.00 0.36 0.00 0.00 54.97 54.93 2qbh s GLU 59 Cb -0.12 -2.36 -0.01 0.00 0.26 0.00 0.00 34.13 31.90 2qbh s GLU 59 CO 0.19 0.54 0.09 0.44 -0.54 0.00 0.00 175.26 175.98 2qbh n ILE 60 N 1.08 0.00 -3.81 -3.70 -0.00 0.17 -1.67 119.36 111.43 2qbh n ILE 60 Ca -0.14 -0.63 -0.09 0.00 -0.00 0.00 0.00 62.75 61.88 2qbh n ILE 60 Cb 0.52 0.33 -0.07 0.00 -0.00 0.00 0.00 39.64 40.42 2qbh n ILE 60 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2qbh s ARG 61 N -2.34 0.86 0.42 6.28 1.70 -0.67 -1.21 118.95 123.98 2qbh s ARG 61 Ca 0.10 -0.83 -0.24 0.00 -0.47 0.00 0.00 55.73 54.29 2qbh s ARG 61 Cb 0.00 0.36 -0.08 0.00 -0.57 0.00 0.00 34.95 34.66 2qbh s ARG 61 CO 0.07 -0.28 1.11 -2.00 -1.08 0.00 0.00 175.30 173.13 2qbh s GLU 62 N -3.56 4.00 0.18 3.89 2.12 -1.26 -1.16 118.70 122.91 2qbh s GLU 62 Ca 0.02 1.67 -0.03 0.00 0.36 0.00 0.00 54.97 56.99 2qbh s GLU 62 Cb 0.03 -2.52 0.01 0.00 0.26 0.00 0.00 34.13 31.91 2qbh s GLU 62 CO -0.10 -0.32 0.29 0.00 -0.54 0.00 0.00 175.26 174.60 2qbh n ARG 64 N -0.27 2.16 -1.69 0.00 0.63 -1.26 -4.62 116.66 111.61 2qbh n ARG 64 Ca -0.01 0.76 -0.43 0.00 -0.92 0.00 0.00 57.85 57.25 2qbh n ARG 64 Cb 0.28 -2.41 -0.03 0.00 0.45 0.00 0.00 32.46 30.76 2qbh n ARG 64 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2qbh s PRO 65 N -0.99 3.14 0.15 -0.14 0.04 -1.26 -4.71 135.00 131.24 2qbh s PRO 65 Ca 0.63 1.89 0.27 0.00 0.04 0.00 0.00 61.00 63.82 2qbh s PRO 65 Cb -0.60 -4.34 0.88 0.00 0.04 0.00 0.00 34.50 30.48 2qbh s PRO 65 CO 0.54 -2.09 1.78 1.28 0.04 0.00 0.00 177.00 178.55 2qbh n LEU 66 N 11.53 0.61 0.00 -3.56 4.32 -0.49 -4.98 117.00 124.44 2qbh n LEU 66 Ca 0.29 0.53 0.00 0.00 -0.02 0.00 0.00 56.01 56.80 2qbh n LEU 66 Cb 0.46 -0.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.90 2qbh n LEU 66 CO 0.67 -0.13 0.00 -0.24 -1.22 0.00 0.00 177.39 176.47 2qbh n SER 67 N -2.06 0.00 -4.77 -1.43 2.88 -0.93 -5.00 113.62 102.30 2qbh n SER 67 Ca 0.06 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.19 2qbh n SER 67 Cb 0.41 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.86 2qbh n SER 67 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2qbh s LYS 68 N -1.14 4.14 0.00 -1.46 1.02 -1.26 -2.46 119.74 118.58 2qbh s LYS 68 Ca 0.00 2.37 0.00 0.00 0.02 0.00 0.00 55.97 58.36 2qbh s LYS 68 Cb 0.00 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.37 2qbh s LYS 68 CO 0.00 -0.43 0.00 0.25 -0.92 0.00 0.00 175.35 174.25 2qbh n THR 69 N 0.47 0.00 -2.95 2.17 -2.24 -1.26 -4.83 114.28 105.64 2qbh n THR 69 Ca 0.01 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.36 2qbh n THR 69 Cb 0.41 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.59 2qbh n THR 69 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2qbh s LYS 70 N 0.00 3.34 0.00 -0.78 2.20 -1.03 -4.03 119.74 119.44 2qbh s LYS 70 Ca 0.00 -0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 2qbh s LYS 70 Cb 0.00 -4.00 0.00 0.00 -1.51 0.00 0.00 37.83 32.32 2qbh s LYS 70 CO 0.00 -1.26 0.57 0.43 -0.36 0.00 0.00 175.35 174.73 2qbh n SER 71 N 6.90 0.00 -3.95 1.43 7.64 -1.25 -1.40 113.62 122.99 2qbh n SER 71 Ca 0.01 -1.32 -0.19 0.00 1.01 0.00 0.00 58.87 58.38 2qbh n SER 71 Cb 0.48 -0.06 -0.15 0.00 -1.01 0.00 0.00 64.21 63.46 2qbh n SER 71 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 2qbh s TRP 72 N 0.00 0.75 -0.11 1.43 0.52 -1.26 -1.05 118.94 119.22 2qbh s TRP 72 Ca 0.00 -0.18 -0.02 0.00 0.02 0.00 0.00 56.10 55.92 2qbh s TRP 72 Cb 0.00 -0.57 -0.03 0.00 -1.15 0.00 0.00 33.47 31.72 2qbh s TRP 72 CO 0.00 -0.10 -0.02 0.99 0.02 0.00 0.00 176.95 177.84 2qbh s THR 73 N 0.36 4.11 0.21 2.01 2.01 -0.31 -0.32 115.64 123.71 2qbh s THR 73 Ca -0.05 -0.31 -0.30 0.00 0.31 0.00 0.00 61.69 61.34 2qbh s THR 73 Cb -0.09 -2.75 -0.08 0.00 0.01 0.00 0.00 72.50 69.59 2qbh s THR 73 CO 0.00 0.57 1.17 -0.22 -0.69 0.00 0.00 174.62 175.45 2qbh s LEU 74 N -0.46 4.47 0.00 4.42 1.98 -1.20 -1.68 118.68 126.22 2qbh s LEU 74 Ca 0.08 2.24 0.00 0.00 -2.89 0.00 0.00 54.13 53.56 2qbh s LEU 74 Cb -0.12 -3.61 0.00 0.00 0.66 0.00 0.00 46.19 43.12 2qbh s LEU 74 CO 0.02 -0.32 0.00 1.33 -1.89 0.00 0.00 176.35 175.49 2qbh n VAL 75 N 2.18 0.00 -4.39 1.68 0.24 -0.67 -4.95 118.33 112.42 2qbh n VAL 75 Ca 0.03 0.38 -0.20 0.00 -2.04 0.00 0.00 64.34 62.50 2qbh n VAL 75 Cb 0.45 -1.36 -0.06 0.00 -1.47 0.00 0.00 33.84 31.40 2qbh n VAL 75 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2qbh n ARG 76 N -2.21 0.60 -3.96 7.34 1.85 -1.23 -5.04 116.66 114.00 2qbh n ARG 76 Ca 0.00 -2.84 -0.34 0.00 -1.00 0.00 0.00 57.85 53.67 2qbh n ARG 76 Cb 0.00 1.65 -0.14 0.00 -1.05 0.00 0.00 32.46 32.92 2qbh n ARG 76 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2qbh s VAL 77 N -2.86 2.68 0.21 8.89 1.01 -1.26 -2.41 120.40 126.66 2qbh s VAL 77 Ca 0.19 -1.54 0.00 0.00 0.00 0.00 0.00 61.98 60.63 2qbh s VAL 77 Cb 0.01 -2.58 -0.06 0.00 0.00 0.00 0.00 36.38 33.74 2qbh s VAL 77 CO 0.14 -0.12 1.51 0.58 0.00 0.00 0.00 175.10 177.20 2qbh h VAL 78 N 6.58 1.36 -2.72 2.92 2.07 -1.54 -3.43 116.25 121.48 2qbh h VAL 78 Ca -0.19 -1.94 -0.23 0.00 0.82 0.00 0.00 66.70 65.15 2qbh h VAL 78 Cb 1.05 1.93 -0.33 0.00 -1.52 0.00 0.00 31.29 32.43 2qbh h VAL 78 CO 0.51 0.59 -0.55 -0.70 0.02 0.00 0.00 177.57 177.44 2qbh s GLU 79 N -3.82 0.17 0.00 1.57 2.56 -1.03 -4.95 118.70 113.20 2qbh s GLU 79 Ca -0.06 0.61 0.00 0.00 0.00 0.00 0.00 54.97 55.52 2qbh s GLU 79 Cb 0.11 -0.33 0.00 0.00 2.00 0.00 0.00 34.13 35.91 2qbh s GLU 79 CO 0.82 -0.39 0.82 0.36 -0.56 0.00 0.00 175.26 176.31 2qbh n LYS 80 N 5.34 0.50 -1.00 4.30 -0.00 -1.26 0.68 118.16 126.73 2qbh n LYS 80 Ca -0.06 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.35 2qbh n LYS 80 Cb 0.50 -1.25 -0.06 0.00 -0.00 0.00 0.00 35.03 34.22 2qbh n LYS 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qbh n ALA 81 N 1.37 -2.41 1.89 0.58 0.00 -1.26 -4.75 120.51 115.93 2qbh n ALA 81 Ca 0.00 0.60 0.16 0.00 0.00 0.00 0.00 53.44 54.19 2qbh n ALA 81 Cb 0.25 -1.09 0.85 0.00 0.00 0.00 0.00 19.45 19.46 2qbh n ALA 81 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05