#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q5z s MET 1 N 0.00 4.32 0.53 -0.41 1.75 -1.26 -5.02 119.30 119.21 2q5z s MET 1 Ca 0.00 2.25 -0.14 0.00 -1.25 0.00 0.00 55.69 56.54 2q5z s MET 1 Cb 0.00 -3.05 -0.07 0.00 2.84 0.00 0.00 34.83 34.55 2q5z s MET 1 CO 0.00 -0.23 0.97 0.15 -0.65 0.00 0.00 175.02 175.26 2q5z s LYS 2 N -1.84 3.84 0.27 4.11 1.02 -1.26 -4.94 119.74 120.94 2q5z s LYS 2 Ca 0.49 0.84 -0.02 0.00 0.02 0.00 0.00 55.97 57.31 2q5z s LYS 2 Cb -0.40 -2.15 0.37 0.00 -0.52 0.00 0.00 37.83 35.12 2q5z s LYS 2 CO 0.54 -0.31 1.81 1.25 -0.92 0.00 0.00 175.35 177.71 2q5z h LEU 3 N 0.65 0.80 -1.25 3.17 5.85 -1.99 -0.89 115.31 121.66 2q5z h LEU 3 Ca -0.46 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.04 2q5z h LEU 3 Cb 1.19 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 2q5z h LEU 3 CO 0.62 0.79 -0.22 0.77 -0.34 0.00 0.00 178.44 180.06 2q5z h SER 4 N 0.82 0.24 0.00 1.25 4.64 -1.99 -0.58 113.55 117.93 2q5z h SER 4 Ca 0.18 -0.06 -0.15 0.00 -0.47 0.00 0.00 61.79 61.29 2q5z h SER 4 Cb 0.32 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2q5z h SER 4 CO 0.00 0.47 -0.48 -0.33 -0.87 0.00 0.00 176.83 175.62 2q5z h GLU 5 N 0.22 0.55 -0.07 4.77 5.08 -1.73 -2.20 114.58 121.20 2q5z h GLU 5 Ca 0.04 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 2q5z h GLU 5 Cb 0.51 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2q5z h GLU 5 CO 0.03 0.91 -0.02 1.25 -1.00 0.00 0.00 179.01 180.19 2q5z h LEU 6 N 0.44 0.14 -0.55 1.33 5.85 -0.81 -0.62 115.31 121.09 2q5z h LEU 6 Ca 0.02 -0.37 0.11 0.00 0.84 0.00 0.00 57.88 58.48 2q5z h LEU 6 Cb 1.00 -0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.90 2q5z h LEU 6 CO 0.09 0.48 -0.05 1.56 -0.34 0.00 0.00 178.44 180.18 2q5z h GLN 7 N -0.20 0.06 0.00 1.25 4.20 -1.13 -1.73 115.11 117.57 2q5z h GLN 7 Ca 0.02 -0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.56 2q5z h GLN 7 Cb 0.42 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 2q5z h GLN 7 CO 0.01 0.04 -0.77 0.66 -0.67 0.00 0.00 178.83 178.10 2q5z h SER 8 N 0.07 0.00 0.14 1.46 4.64 -1.22 -0.46 113.55 118.18 2q5z h SER 8 Ca 0.27 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 2q5z h SER 8 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2q5z h SER 8 CO -0.50 0.77 -0.07 -0.74 -0.87 0.00 0.00 176.83 175.42 2q5z h HIS 9 N 0.00 -0.17 -0.76 4.77 -0.00 -0.95 -2.16 115.15 115.88 2q5z h HIS 9 Ca -0.01 -0.00 0.12 0.00 -0.00 0.00 0.00 60.37 60.48 2q5z h HIS 9 Cb 1.57 0.06 -0.08 0.00 -0.00 0.00 0.00 27.41 28.95 2q5z h HIS 9 CO 0.00 0.04 0.36 0.82 -0.00 0.00 0.00 177.93 179.15 2q5z h ILE 10 N -0.35 0.76 -0.22 6.26 2.04 -1.21 -0.70 117.51 124.08 2q5z h ILE 10 Ca -0.02 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 2q5z h ILE 10 Cb 0.28 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 2q5z h ILE 10 CO 0.03 0.10 0.09 0.50 0.00 0.00 0.00 178.15 178.88 2q5z h LYS 11 N 0.56 0.30 -0.70 2.37 3.64 -0.96 0.20 116.57 121.98 2q5z h LYS 11 Ca 0.40 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.73 2q5z h LYS 11 Cb 0.53 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 2q5z h LYS 11 CO -0.34 0.25 0.36 1.49 -2.27 0.00 0.00 179.45 178.94 2q5z h GLU 12 N 0.30 0.98 -0.00 1.90 4.81 -0.45 -3.34 114.58 118.79 2q5z h GLU 12 Ca 0.08 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2q5z h GLU 12 Cb 0.06 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.25 2q5z h GLU 12 CO -0.01 0.76 -0.31 1.97 -0.73 0.00 0.00 179.01 180.69 2q5z n PHE 13 N -4.47 0.00 -3.24 0.92 1.16 -1.03 -4.85 117.46 105.95 2q5z n PHE 13 Ca 0.06 0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 55.43 2q5z n PHE 13 Cb 0.11 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 37.91 2q5z n PHE 13 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2q5z s ASP 14 N -1.56 0.77 -0.30 5.98 2.15 0.68 -5.07 116.67 119.32 2q5z s ASP 14 Ca 0.04 -2.51 0.01 0.00 0.43 0.00 0.00 52.55 50.52 2q5z s ASP 14 Cb 0.06 0.26 0.14 0.00 -0.30 0.00 0.00 42.92 43.08 2q5z s ASP 14 CO 0.29 -0.16 0.33 -0.47 -0.17 0.00 0.00 175.17 174.98 2q5z s TYR 15 N 0.49 -0.53 -0.57 -5.34 5.04 -1.26 -4.42 117.35 110.76 2q5z s TYR 15 Ca 0.29 -0.20 0.04 0.00 -2.44 0.00 0.00 57.07 54.76 2q5z s TYR 15 Cb -0.01 -0.40 0.15 0.00 0.35 0.00 0.00 41.96 42.05 2q5z s TYR 15 CO -0.13 -0.94 0.36 0.00 -1.34 0.00 0.00 175.55 173.50 2q5z s ALA 16 N 2.23 3.15 0.56 3.97 0.00 -1.26 -4.98 121.76 125.44 2q5z s ALA 16 Ca 0.11 -3.32 0.25 0.00 0.00 0.00 0.00 51.96 49.00 2q5z s ALA 16 Cb -0.14 -2.07 1.55 0.00 0.00 0.00 0.00 23.12 22.46 2q5z s ALA 16 CO -0.28 -2.06 2.13 -1.00 0.00 0.00 0.00 175.76 174.56 2q5z h PRO 17 N 6.01 0.00 0.00 0.00 0.13 -1.98 0.13 132.00 136.30 2q5z h PRO 17 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2q5z h PRO 17 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2q5z h PRO 17 CO 0.64 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.56 2q5z n GLU 18 N -4.10 0.19 -2.71 0.86 -0.00 -1.26 -3.65 120.64 109.96 2q5z n GLU 18 Ca 0.01 0.10 -0.21 0.00 -0.00 0.00 0.00 57.16 57.05 2q5z n GLU 18 Cb 0.25 -1.50 -0.00 0.00 -0.00 0.00 0.00 31.44 30.19 2q5z n GLU 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2q5z n GLN 19 N -1.37 2.48 -0.37 3.44 6.02 0.45 -4.89 117.38 123.15 2q5z n GLN 19 Ca 0.08 -4.11 0.01 0.00 -0.01 0.00 0.00 57.00 52.98 2q5z n GLN 19 Cb 0.21 -1.92 0.16 0.00 1.02 0.00 0.00 30.24 29.71 2q5z n GLN 19 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2q5z h SER 20 N 2.83 1.06 -0.88 1.08 4.64 -1.66 -2.77 113.55 117.85 2q5z h SER 20 Ca 0.14 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.47 2q5z h SER 20 Cb 0.91 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 62.72 2q5z h SER 20 CO 0.71 0.70 0.58 -0.33 -0.87 0.00 0.00 176.83 177.62 2q5z h GLU 21 N 1.22 1.13 -0.94 4.77 3.07 -1.93 -1.93 114.58 119.97 2q5z h GLU 21 Ca 0.42 -0.07 0.26 0.00 -0.50 0.00 0.00 59.36 59.47 2q5z h GLU 21 Cb 0.09 -0.26 -0.17 0.00 -0.84 0.00 0.00 28.75 27.57 2q5z h GLU 21 CO -0.15 0.75 0.09 1.25 -1.40 0.00 0.00 179.01 179.55 2q5z h HIS 22 N 1.17 0.08 0.00 4.33 -0.00 -1.89 0.03 115.15 118.86 2q5z h HIS 22 Ca 0.33 0.06 -0.13 0.00 -0.00 0.00 0.00 60.37 60.63 2q5z h HIS 22 Cb -0.11 0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.40 2q5z h HIS 22 CO -0.01 -0.37 -0.61 1.88 -0.00 0.00 0.00 177.93 178.81 2q5z h TYR 23 N 0.05 0.00 0.01 5.26 0.05 -1.46 -0.32 116.97 120.56 2q5z h TYR 23 Ca 0.59 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 59.12 2q5z h TYR 23 Cb 1.22 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.98 2q5z h TYR 23 CO -0.42 0.61 -0.98 0.35 -1.05 0.00 0.00 178.16 176.68 2q5z h PHE 24 N 0.00 0.97 -0.43 4.88 3.57 -1.02 -1.65 116.94 123.25 2q5z h PHE 24 Ca -0.01 -0.53 0.06 0.00 3.53 0.00 0.00 57.97 61.02 2q5z h PHE 24 Cb 1.17 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.75 2q5z h PHE 24 CO 0.00 1.37 0.14 0.74 -2.23 0.00 0.00 178.31 178.33 2q5z h PHE 25 N 0.30 0.24 -0.66 0.41 0.04 -0.87 -2.28 116.94 114.12 2q5z h PHE 25 Ca -0.12 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.64 2q5z h PHE 25 Cb 1.64 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 39.72 2q5z h PHE 25 CO 0.11 0.08 0.29 0.87 -0.60 0.00 0.00 178.31 179.06 2q5z h LYS 26 N 0.30 0.97 -0.36 1.51 1.79 -1.06 -1.15 116.57 118.57 2q5z h LYS 26 Ca 0.21 -0.16 0.06 0.00 -2.18 0.00 0.00 60.65 58.58 2q5z h LYS 26 Cb 0.21 -0.17 -0.06 0.00 -1.58 0.00 0.00 32.23 30.64 2q5z h LYS 26 CO -0.22 0.80 0.01 1.25 -1.08 0.00 0.00 179.45 180.21 2q5z h LEU 27 N 0.93 -0.12 -0.72 2.94 5.85 -0.93 -1.31 115.31 121.94 2q5z h LEU 27 Ca 0.22 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.99 2q5z h LEU 27 Cb 0.17 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2q5z h LEU 27 CO -0.02 -0.03 0.31 0.40 -0.34 0.00 0.00 178.44 178.76 2q5z h ILE 28 N 0.11 1.25 -0.51 4.05 1.08 -0.95 -0.43 117.51 122.11 2q5z h ILE 28 Ca 0.18 -0.75 0.08 0.00 -0.39 0.00 0.00 64.86 63.97 2q5z h ILE 28 Cb 0.24 0.39 -0.06 0.00 -3.07 0.00 0.00 36.82 34.32 2q5z h ILE 28 CO -0.28 0.30 0.16 -0.33 -0.69 0.00 0.00 178.15 177.30 2q5z h GLU 29 N 1.02 0.31 -0.14 2.37 5.08 -0.78 -0.26 114.58 122.18 2q5z h GLU 29 Ca 0.24 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.43 2q5z h GLU 29 Cb 0.18 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2q5z h GLU 29 CO -0.02 0.20 -0.56 0.93 -1.00 0.00 0.00 179.01 178.56 2q5z h GLU 30 N 0.32 0.41 -0.80 2.33 4.39 -0.86 -1.16 114.58 119.21 2q5z h GLU 30 Ca 0.25 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 2q5z h GLU 30 Cb 0.30 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 2q5z h GLU 30 CO -0.28 0.86 0.38 0.28 -1.16 0.00 0.00 179.01 179.09 2q5z h VAL 31 N 0.31 1.25 -0.03 3.13 2.07 -0.74 0.31 116.25 122.56 2q5z h VAL 31 Ca 0.00 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 2q5z h VAL 31 Cb 1.07 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2q5z h VAL 31 CO 0.10 0.30 0.02 1.23 0.02 0.00 0.00 177.57 179.23 2q5z h GLY 32 N 1.16 0.05 0.70 2.17 0.00 -0.68 -0.91 103.07 105.55 2q5z h GLY 32 Ca 0.27 -0.02 0.06 0.00 0.00 0.00 0.00 47.33 47.65 2q5z h GLY 32 CO -0.03 0.02 0.50 0.83 0.00 0.00 0.00 176.54 177.86 2q5z h GLU 33 N -0.04 0.89 -0.41 4.80 5.08 -1.05 -2.34 114.58 121.51 2q5z h GLU 33 Ca 0.01 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 2q5z h GLU 33 Cb 0.09 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.09 2q5z h GLU 33 CO -0.00 0.59 0.14 1.25 -1.00 0.00 0.00 179.01 179.98 2q5z h LEU 34 N 0.91 0.14 -0.67 1.33 5.85 -0.16 -1.81 115.31 120.90 2q5z h LEU 34 Ca 0.37 0.05 0.07 0.00 0.84 0.00 0.00 57.88 59.21 2q5z h LEU 34 Cb 0.19 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 2q5z h LEU 34 CO -0.18 0.11 0.35 -1.28 -0.34 0.00 0.00 178.44 177.10 2q5z h SER 35 N 0.30 0.48 -0.28 1.25 0.87 -0.72 -0.49 113.55 114.96 2q5z h SER 35 Ca 0.19 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2q5z h SER 35 Cb 0.18 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2q5z h SER 35 CO -0.20 0.30 0.18 -0.08 -0.53 0.00 0.00 176.83 176.50 2q5z h GLU 36 N 0.62 0.37 -0.46 2.24 4.81 -1.14 0.10 114.58 121.13 2q5z h GLU 36 Ca 0.31 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.42 2q5z h GLU 36 Cb 0.26 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 2q5z h GLU 36 CO -0.22 0.27 -0.08 0.66 -0.73 0.00 0.00 179.01 178.91 2q5z h SER 37 N 0.37 0.80 -0.27 1.04 4.64 -0.45 -0.59 113.55 119.09 2q5z h SER 37 Ca 0.10 -0.23 -0.10 0.00 -0.47 0.00 0.00 61.79 61.09 2q5z h SER 37 Cb -0.02 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 2q5z h SER 37 CO -0.02 0.92 -0.22 0.40 -0.87 0.00 0.00 176.83 177.04 2q5z h ILE 38 N 0.74 1.31 -0.79 0.95 2.04 -1.00 -1.81 117.51 118.95 2q5z h ILE 38 Ca 0.13 -1.36 0.13 0.00 1.00 0.00 0.00 64.86 64.75 2q5z h ILE 38 Cb 0.57 1.59 -0.09 0.00 -0.74 0.00 0.00 36.82 38.15 2q5z h ILE 38 CO 0.03 0.43 0.40 -0.09 0.00 0.00 0.00 178.15 178.92 2q5z h ARG 39 N 0.35 0.59 -0.02 2.37 2.43 -0.31 0.54 114.38 120.33 2q5z h ARG 39 Ca 0.05 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2q5z h ARG 39 Cb 0.77 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 2q5z h ARG 39 CO 0.06 0.39 0.00 1.63 -1.51 0.00 0.00 179.97 180.54 2q5z n LYS 40 N -4.88 1.22 -2.69 0.20 5.02 -0.29 -4.94 118.16 111.80 2q5z n LYS 40 Ca 0.15 -0.32 -0.17 0.00 -2.02 0.00 0.00 58.31 55.95 2q5z n LYS 40 Cb 0.37 -1.44 0.02 0.00 -0.02 0.00 0.00 35.03 33.96 2q5z n LYS 40 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2q5z n GLY 41 N 1.00 -0.25 2.35 0.72 0.00 0.18 -4.91 105.19 104.28 2q5z n GLY 41 Ca 0.20 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 2q5z n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2q5z n LYS 42 N -3.06 3.51 -1.44 1.61 5.02 -0.72 -4.93 118.16 118.15 2q5z n LYS 42 Ca -0.12 -2.45 -0.19 0.00 -2.02 0.00 0.00 58.31 53.53 2q5z n LYS 42 Cb 0.61 -2.50 0.13 0.00 -0.02 0.00 0.00 35.03 33.25 2q5z n LYS 42 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2q5z n SER 43 N 2.31 0.24 0.00 4.39 7.64 -1.26 -1.38 113.62 125.56 2q5z n SER 43 Ca 0.62 -1.42 0.00 0.00 1.01 0.00 0.00 58.87 59.08 2q5z n SER 43 Cb 0.41 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 2q5z n SER 43 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2q5z n GLY 44 N -0.88 -0.70 3.42 0.23 0.00 -1.26 -4.84 105.19 101.16 2q5z n GLY 44 Ca 0.12 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 2q5z n GLY 44 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2q5z s GLN 45 N -1.13 2.96 0.67 1.61 2.00 -1.26 -4.61 119.66 119.90 2q5z s GLN 45 Ca 0.00 -1.16 -0.14 0.00 -2.00 0.00 0.00 55.36 52.06 2q5z s GLN 45 Cb 0.00 -4.02 0.00 0.00 0.80 0.00 0.00 33.01 29.79 2q5z s GLN 45 CO 0.00 -0.86 1.08 -1.25 -0.50 0.00 0.00 175.29 173.76 2q5z s PRO 46 N 1.65 2.83 0.95 1.67 0.04 -1.26 -5.06 135.00 135.81 2q5z s PRO 46 Ca 0.04 1.23 -0.15 0.00 0.04 0.00 0.00 61.00 62.16 2q5z s PRO 46 Cb -0.21 -1.96 0.18 0.00 0.04 0.00 0.00 34.50 32.54 2q5z s PRO 46 CO 0.08 -1.21 1.25 0.95 0.04 0.00 0.00 177.00 178.12 2q5z s THR 47 N -2.60 1.96 0.22 1.26 -4.23 -1.26 -4.88 115.64 106.11 2q5z s THR 47 Ca 0.63 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 61.06 2q5z s THR 47 Cb -0.18 -2.93 0.20 0.00 1.34 0.00 0.00 72.50 70.94 2q5z s THR 47 CO 0.46 0.00 1.69 0.25 -0.54 0.00 0.00 174.62 176.47 2q5z h LEU 48 N -1.59 -0.06 -1.52 4.79 5.85 -2.01 -1.59 115.31 119.17 2q5z h LEU 48 Ca -0.45 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2q5z h LEU 48 Cb 1.27 0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.50 2q5z h LEU 48 CO 0.46 -0.04 0.00 0.44 -0.34 0.00 0.00 178.44 178.96 2q5z h ASP 49 N 0.23 0.00 -0.02 1.25 3.32 -2.03 -3.04 116.42 116.13 2q5z h ASP 49 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 2q5z h ASP 49 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 2q5z h ASP 49 CO -0.48 0.00 -0.28 -0.62 -1.72 0.00 0.00 179.24 176.14 2q5z n GLU 50 N -3.09 1.58 -0.18 3.56 1.02 -0.65 -4.67 120.64 118.21 2q5z n GLU 50 Ca 0.00 -1.19 -0.07 0.00 -0.02 0.00 0.00 57.16 55.88 2q5z n GLU 50 Cb 0.30 -1.40 0.02 0.00 -0.02 0.00 0.00 31.44 30.34 2q5z n GLU 50 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2q5z h LEU 51 N 2.80 0.65 -9.22 -4.62 5.85 -1.29 -3.39 115.31 106.08 2q5z h LEU 51 Ca 0.00 -0.08 -0.64 0.00 0.84 0.00 0.00 57.88 58.01 2q5z h LEU 51 Cb 0.74 -0.16 0.02 0.00 0.37 0.00 0.00 40.66 41.62 2q5z h LEU 51 CO 0.00 0.54 1.09 1.17 -0.34 0.00 0.00 178.44 180.90 2q5z n LYS 52 N -4.65 1.99 -0.86 1.25 4.81 -1.26 -1.66 118.16 117.77 2q5z n LYS 52 Ca 0.03 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 2q5z n LYS 52 Cb 0.07 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 32.55 2q5z n LYS 52 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2q5z n GLY 53 N 4.49 1.17 3.79 3.14 0.00 -1.26 -5.02 105.19 111.50 2q5z n GLY 53 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 2q5z n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2q5z s SER 54 N -3.09 5.26 0.26 1.61 1.04 -0.67 -4.67 113.70 113.43 2q5z s SER 54 Ca 0.00 1.81 -0.02 0.00 0.48 0.00 0.00 55.95 58.22 2q5z s SER 54 Cb 0.00 -2.53 0.48 0.00 0.10 0.00 0.00 66.02 64.08 2q5z s SER 54 CO 0.00 -1.53 1.78 0.58 0.98 0.00 0.00 173.24 175.05 2q5z h VAL 55 N -0.27 0.80 -0.02 5.02 2.07 -1.49 -2.09 116.25 120.26 2q5z h VAL 55 Ca -0.45 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 66.85 2q5z h VAL 55 Cb 1.23 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2q5z h VAL 55 CO 0.55 0.13 -0.13 0.00 0.02 0.00 0.00 177.57 178.14 2q5z h ALA 56 N 1.52 -0.13 -0.69 1.67 0.00 -1.81 0.18 119.26 120.00 2q5z h ALA 56 Ca 0.44 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.39 2q5z h ALA 56 Cb 0.54 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2q5z h ALA 56 CO -0.32 -0.61 0.43 1.49 0.00 0.00 0.00 179.25 180.24 2q5z h GLU 57 N -0.20 0.82 -0.30 0.00 4.81 -1.72 0.13 114.58 118.12 2q5z h GLU 57 Ca 0.05 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 2q5z h GLU 57 Cb 0.27 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2q5z h GLU 57 CO -0.14 0.54 -0.45 0.93 -0.73 0.00 0.00 179.01 179.16 2q5z h GLU 58 N 0.85 0.78 -0.43 1.92 4.39 -0.93 0.55 114.58 121.70 2q5z h GLU 58 Ca 0.27 -0.44 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 2q5z h GLU 58 Cb 0.01 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2q5z h GLU 58 CO -0.10 1.06 0.23 -0.07 -1.16 0.00 0.00 179.01 178.97 2q5z h LEU 59 N 0.62 0.54 -0.65 1.33 3.38 -0.45 -1.17 115.31 118.92 2q5z h LEU 59 Ca 0.04 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 57.96 2q5z h LEU 59 Cb 1.02 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.58 2q5z h LEU 59 CO 0.10 0.48 0.37 0.22 0.09 0.00 0.00 178.44 179.70 2q5z h TYR 60 N 0.56 0.69 -0.48 1.13 3.20 -0.38 -1.31 116.97 120.38 2q5z h TYR 60 Ca 0.15 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 2q5z h TYR 60 Cb 0.06 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 2q5z h TYR 60 CO -0.02 0.35 0.02 -0.44 -1.64 0.00 0.00 178.16 176.43 2q5z h ASP 61 N 0.70 0.76 -0.11 -2.11 3.32 -0.54 0.24 116.42 118.67 2q5z h ASP 61 Ca 0.28 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 2q5z h ASP 61 Cb 0.14 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2q5z h ASP 61 CO -0.16 0.81 0.06 0.58 -1.72 0.00 0.00 179.24 178.81 2q5z h VAL 62 N 0.74 1.10 -0.56 -1.35 2.07 -0.88 -2.64 116.25 114.74 2q5z h VAL 62 Ca 0.15 -0.29 0.09 0.00 0.82 0.00 0.00 66.70 67.47 2q5z h VAL 62 Cb 0.42 1.10 -0.07 0.00 -1.52 0.00 0.00 31.29 31.22 2q5z h VAL 62 CO 0.02 0.09 0.15 0.25 0.02 0.00 0.00 177.57 178.09 2q5z h LEU 63 N 0.06 0.07 -0.56 2.57 5.85 -0.57 -0.47 115.31 122.26 2q5z h LEU 63 Ca 0.04 0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.95 2q5z h LEU 63 Cb 0.10 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.15 2q5z h LEU 63 CO -0.01 0.06 0.09 0.22 -0.34 0.00 0.00 178.44 178.46 2q5z h TYR 64 N 0.30 0.14 0.00 1.25 3.20 -0.34 -1.03 116.97 120.48 2q5z h TYR 64 Ca 0.28 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 62.06 2q5z h TYR 64 Cb 0.38 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 2q5z h TYR 64 CO -0.21 -0.05 -0.62 1.88 -1.64 0.00 0.00 178.16 177.52 2q5z h TYR 65 N 0.22 0.00 -0.36 -3.82 0.05 -0.97 0.81 116.97 112.90 2q5z h TYR 65 Ca 0.29 0.00 0.02 0.00 0.05 0.00 0.00 58.73 59.09 2q5z h TYR 65 Cb 0.42 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.14 2q5z h TYR 65 CO -0.26 0.62 0.19 0.28 -1.05 0.00 0.00 178.16 177.94 2q5z h VAL 66 N 0.00 1.01 -0.35 -2.88 2.07 -0.42 0.16 116.25 115.84 2q5z h VAL 66 Ca -0.01 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.30 2q5z h VAL 66 Cb 1.19 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 2q5z h VAL 66 CO 0.08 0.07 -0.10 0.00 0.02 0.00 0.00 177.57 177.64 2q5z h ALA 68 N 0.81 0.94 -0.65 0.00 0.00 -0.74 -1.33 119.26 118.29 2q5z h ALA 68 Ca 0.09 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2q5z h ALA 68 Cb 0.62 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2q5z h ALA 68 CO 0.04 0.54 0.10 -0.07 0.00 0.00 0.00 179.25 179.85 2q5z h LEU 69 N 1.03 1.03 -0.47 0.00 3.38 -0.66 -1.33 115.31 118.28 2q5z h LEU 69 Ca 0.24 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2q5z h LEU 69 Cb 0.18 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 2q5z h LEU 69 CO -0.02 1.03 0.25 0.00 0.09 0.00 0.00 178.44 179.78 2q5z h ALA 70 N 1.09 0.60 -0.16 1.53 0.00 -0.94 0.14 119.26 121.52 2q5z h ALA 70 Ca 0.20 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.15 2q5z h ALA 70 Cb 0.44 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2q5z h ALA 70 CO 0.01 -0.09 -0.01 -0.91 0.00 0.00 0.00 179.25 178.26 2q5z h ASN 71 N 0.50 -0.08 -0.62 0.00 2.35 -0.95 0.37 115.58 117.15 2q5z h ASN 71 Ca 0.20 0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.93 2q5z h ASN 71 Cb 0.09 0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 2q5z h ASN 71 CO -0.13 -0.02 0.15 0.40 -1.65 0.00 0.00 177.43 176.19 2q5z h ILE 72 N 0.04 1.25 -0.49 2.81 1.08 -0.72 -2.64 117.51 118.85 2q5z h ILE 72 Ca 0.08 -0.92 0.00 0.00 -0.39 0.00 0.00 64.86 63.63 2q5z h ILE 72 Cb 0.10 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 34.44 2q5z h ILE 72 CO -0.14 0.35 0.00 1.41 -0.69 0.00 0.00 178.15 179.08 2q5z n HIS 73 N -4.24 1.24 -3.09 1.37 8.25 0.44 -4.93 115.22 114.25 2q5z n HIS 73 Ca 0.05 -0.48 -0.20 0.00 -0.26 0.00 0.00 57.72 56.83 2q5z n HIS 73 Cb 0.25 -0.25 0.04 0.00 1.12 0.00 0.00 29.99 31.16 2q5z n HIS 73 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2q5z n GLY 74 N 0.84 -0.36 3.58 -1.41 0.00 -0.68 -4.99 105.19 102.17 2q5z n GLY 74 Ca 0.20 0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 2q5z n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2q5z s VAL 75 N -3.16 4.51 -0.40 1.61 1.01 0.12 -5.03 120.40 119.06 2q5z s VAL 75 Ca 0.34 -0.13 -0.16 0.00 0.00 0.00 0.00 61.98 62.04 2q5z s VAL 75 Cb -0.15 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.21 2q5z s VAL 75 CO 0.43 0.45 0.35 0.21 0.00 0.00 0.00 175.10 176.54 2q5z s ASN 76 N 0.51 6.14 0.13 3.32 3.84 -1.26 -4.41 114.94 123.21 2q5z s ASN 76 Ca 0.01 -0.70 -0.13 0.00 0.21 0.00 0.00 52.86 52.25 2q5z s ASN 76 Cb -0.13 -2.18 -0.02 0.00 -0.55 0.00 0.00 41.25 38.37 2q5z s ASN 76 CO 0.01 -0.46 1.55 -0.07 -2.79 0.00 0.00 177.10 175.34 2q5z h LEU 77 N 8.78 0.80 -1.00 3.21 3.38 -1.96 -0.42 115.31 128.10 2q5z h LEU 77 Ca -0.28 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.35 2q5z h LEU 77 Cb 1.12 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.61 2q5z h LEU 77 CO 0.74 0.96 0.62 -0.33 0.09 0.00 0.00 178.44 180.52 2q5z h GLU 78 N 0.62 1.29 -0.24 1.13 5.08 -1.96 -0.05 114.58 120.45 2q5z h GLU 78 Ca 0.11 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 2q5z h GLU 78 Cb 0.60 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2q5z h GLU 78 CO 0.04 0.88 -0.51 0.87 -1.00 0.00 0.00 179.01 179.28 2q5z h LYS 79 N 1.32 0.68 -0.22 2.33 1.57 -1.91 -2.44 116.57 117.90 2q5z h LYS 79 Ca 0.35 -0.41 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2q5z h LYS 79 Cb -0.11 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 2q5z h LYS 79 CO -0.07 1.02 0.02 1.15 -0.57 0.00 0.00 179.45 181.00 2q5z h THR 80 N 0.53 0.87 -0.61 -0.16 2.02 -0.61 -2.50 112.91 112.45 2q5z h THR 80 Ca 0.02 -0.03 0.10 0.00 0.77 0.00 0.00 66.41 67.27 2q5z h THR 80 Cb 1.07 0.77 -0.08 0.00 -1.74 0.00 0.00 68.15 68.17 2q5z h THR 80 CO 0.10 0.02 0.19 -0.09 0.37 0.00 0.00 175.52 176.11 2q5z h ARG 81 N 0.09 0.33 -0.75 6.66 2.43 -0.85 -0.85 114.38 121.44 2q5z h ARG 81 Ca 0.10 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 2q5z h ARG 81 Cb 0.12 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 2q5z h ARG 81 CO -0.16 0.22 0.50 0.93 -1.51 0.00 0.00 179.97 179.95 2q5z h GLU 82 N 0.34 0.99 -0.15 0.20 5.08 -1.26 0.67 114.58 120.45 2q5z h GLU 82 Ca 0.32 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.44 2q5z h GLU 82 Cb 0.43 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.47 2q5z h GLU 82 CO -0.35 0.65 -0.61 1.25 -1.00 0.00 0.00 179.01 178.96 2q5z h LEU 83 N 1.02 0.79 -0.95 1.33 5.85 -0.95 -2.09 115.31 120.31 2q5z h LEU 83 Ca 0.28 -0.62 0.06 0.00 0.84 0.00 0.00 57.88 58.44 2q5z h LEU 83 Cb -0.12 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.62 2q5z h LEU 83 CO -0.06 1.28 0.61 0.11 -0.34 0.00 0.00 178.44 180.03 2q5z h LYS 84 N 0.36 1.08 -0.31 1.25 1.57 -0.76 -1.46 116.57 118.30 2q5z h LYS 84 Ca -0.03 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2q5z h LYS 84 Cb 1.24 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 33.28 2q5z h LYS 84 CO 0.13 0.72 0.14 1.49 -0.57 0.00 0.00 179.45 181.36 2q5z h GLU 85 N 1.11 0.29 -0.38 3.15 4.81 -0.65 0.36 114.58 123.27 2q5z h GLU 85 Ca 0.40 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.69 2q5z h GLU 85 Cb 0.14 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.39 2q5z h GLU 85 CO -0.16 0.19 -0.04 0.28 -0.73 0.00 0.00 179.01 178.55 2q5z h VAL 86 N 0.30 0.67 -0.41 0.32 2.07 -0.70 0.95 116.25 119.46 2q5z h VAL 86 Ca 0.13 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 2q5z h VAL 86 Cb 0.06 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2q5z h VAL 86 CO -0.10 0.01 0.15 -0.07 0.02 0.00 0.00 177.57 177.58 2q5z h LEU 87 N 0.06 0.58 -1.25 2.57 3.38 -0.73 -2.63 115.31 117.29 2q5z h LEU 87 Ca 0.19 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2q5z h LEU 87 Cb 0.28 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 2q5z h LEU 87 CO -0.35 0.61 0.55 0.78 0.09 0.00 0.00 178.44 180.12 2q5z h ASN 88 N 0.51 0.76 1.01 -0.43 2.35 0.29 -2.49 115.58 117.57 2q5z h ASN 88 Ca 0.13 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 2q5z h ASN 88 Cb 0.22 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 2q5z h ASN 88 CO -0.01 0.45 -0.14 0.11 -1.65 0.00 0.00 177.43 176.20 2q5z h LYS 89 N 0.84 0.00 0.00 0.81 1.57 -0.46 -2.16 116.57 117.17 2q5z h LYS 89 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 2q5z h LYS 89 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2q5z h LYS 89 CO -0.16 0.14 0.00 1.33 -0.57 0.00 0.00 179.45 180.19 2q5z n VAL 90 N -3.28 0.01 0.67 0.50 0.24 -0.94 -4.63 118.33 110.90 2q5z n VAL 90 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.43 2q5z n VAL 90 Cb 0.39 -0.51 0.34 0.00 -1.47 0.00 0.00 33.84 32.60 2q5z n VAL 90 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2q5z n LYS 91 N -1.41 0.23 -0.87 7.34 4.81 -0.81 -5.14 118.16 122.30 2q5z n LYS 91 Ca 0.10 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 2q5z n LYS 91 Cb 0.29 -1.72 0.00 0.00 0.02 0.00 0.00 35.03 33.63 2q5z n LYS 91 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55