#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q5z s LYS 2 N 0.00 1.47 0.08 2.12 1.02 -1.26 -5.03 119.74 118.14 2q5z s LYS 2 Ca 0.00 -1.47 -0.20 0.00 0.02 0.00 0.00 55.97 54.31 2q5z s LYS 2 Cb 0.00 -1.82 -0.10 0.00 -0.52 0.00 0.00 37.83 35.39 2q5z s LYS 2 CO 0.00 0.40 1.55 -0.07 -0.92 0.00 0.00 175.35 176.31 2q5z h LEU 3 N 3.37 0.30 -0.82 3.17 3.38 -1.99 0.99 115.31 123.71 2q5z h LEU 3 Ca -0.47 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.23 2q5z h LEU 3 Cb 1.20 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 2q5z h LEU 3 CO 0.46 0.47 0.45 0.28 0.09 0.00 0.00 178.44 180.19 2q5z h SER 4 N 0.11 1.03 -0.25 -0.43 0.02 -1.97 -1.45 113.55 110.61 2q5z h SER 4 Ca 0.06 -0.10 -0.20 0.00 -0.84 0.00 0.00 61.79 60.71 2q5z h SER 4 Cb 0.30 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2q5z h SER 4 CO 0.00 0.84 -0.61 1.05 -1.14 0.00 0.00 176.83 176.97 2q5z h GLU 5 N 1.14 0.86 0.33 3.45 4.11 -1.92 -0.91 114.58 121.64 2q5z h GLU 5 Ca 0.29 -0.59 -0.01 0.00 0.07 0.00 0.00 59.36 59.12 2q5z h GLU 5 Cb 0.04 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2q5z h GLU 5 CO -0.05 1.22 -0.19 1.25 0.07 0.00 0.00 179.01 181.31 2q5z h LEU 6 N 0.64 -0.46 -0.38 3.06 5.85 -0.77 0.37 115.31 123.63 2q5z h LEU 6 Ca -0.00 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.82 2q5z h LEU 6 Cb 1.23 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 42.31 2q5z h LEU 6 CO 0.13 -0.30 -0.17 1.56 -0.34 0.00 0.00 178.44 179.32 2q5z h GLN 7 N -0.49 -0.10 -0.84 1.25 4.20 -1.28 -1.64 115.11 116.22 2q5z h GLN 7 Ca -0.04 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 2q5z h GLN 7 Cb 0.39 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 2q5z h GLN 7 CO 0.05 -0.07 0.39 1.03 -0.67 0.00 0.00 178.83 179.56 2q5z h SER 8 N -0.10 1.11 -0.25 1.46 0.87 -0.84 -1.34 113.55 114.44 2q5z h SER 8 Ca 0.19 -0.14 -0.12 0.00 -1.23 0.00 0.00 61.79 60.49 2q5z h SER 8 Cb 0.39 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 2q5z h SER 8 CO -0.44 0.94 -0.27 0.45 -0.53 0.00 0.00 176.83 176.98 2q5z h HIS 9 N 1.20 0.86 -0.32 2.24 3.86 0.27 -2.62 115.15 120.63 2q5z h HIS 9 Ca 0.29 -0.21 -0.04 0.00 -1.16 0.00 0.00 60.37 59.24 2q5z h HIS 9 Cb 0.14 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 2q5z h HIS 9 CO 0.02 0.93 0.03 0.82 0.86 0.00 0.00 177.93 180.59 2q5z h ILE 10 N 0.64 1.25 -0.70 2.45 2.04 -1.23 -2.96 117.51 119.00 2q5z h ILE 10 Ca 0.08 -0.88 0.20 0.00 1.00 0.00 0.00 64.86 65.26 2q5z h ILE 10 Cb 0.78 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 2q5z h ILE 10 CO 0.06 0.29 0.50 0.50 0.00 0.00 0.00 178.15 179.50 2q5z h LYS 11 N 0.35 0.04 -0.43 2.37 3.64 -0.97 0.41 116.57 121.99 2q5z h LYS 11 Ca 0.09 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 2q5z h LYS 11 Cb 0.39 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 2q5z h LYS 11 CO 0.01 0.03 0.15 0.93 -2.27 0.00 0.00 179.45 178.30 2q5z h GLU 12 N 0.04 0.61 0.00 1.90 5.08 -1.29 -3.29 114.58 117.63 2q5z h GLU 12 Ca 0.34 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2q5z h GLU 12 Cb 1.28 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2q5z h GLU 12 CO -0.02 0.52 -0.08 1.97 -1.00 0.00 0.00 179.01 180.41 2q5z n PHE 13 N -4.36 0.00 -3.41 4.33 1.16 -0.69 -4.90 117.46 109.60 2q5z n PHE 13 Ca 0.03 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.34 2q5z n PHE 13 Cb 0.16 -0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 37.92 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 -1.14 1.91 -0.27 5.98 2.15 0.05 -5.05 116.67 120.30 2q5z s ASP 14 Ca 0.00 -2.70 -0.01 0.00 0.43 0.00 0.00 52.55 50.27 2q5z s ASP 14 Cb 0.01 -0.36 0.13 0.00 -0.30 0.00 0.00 42.92 42.39 2q5z s ASP 14 CO 0.05 -0.22 0.28 -0.47 -0.17 0.00 0.00 175.17 174.64 2q5z s TYR 15 N 0.47 -0.42 -0.53 -5.34 5.04 -1.26 -4.45 117.35 110.87 2q5z s TYR 15 Ca 0.27 -0.04 0.04 0.00 -2.44 0.00 0.00 57.07 54.90 2q5z s TYR 15 Cb -0.06 -0.42 0.15 0.00 0.35 0.00 0.00 41.96 41.97 2q5z s TYR 15 CO -0.12 -0.84 0.32 0.00 -1.34 0.00 0.00 175.55 173.58 2q5z s ALA 16 N 2.36 2.84 -0.14 3.97 0.00 -1.26 -4.99 121.76 124.54 2q5z s ALA 16 Ca 0.09 -3.09 0.27 0.00 0.00 0.00 0.00 51.96 49.23 2q5z s ALA 16 Cb -0.14 -2.01 1.31 0.00 0.00 0.00 0.00 23.12 22.28 2q5z s ALA 16 CO -0.27 -2.05 1.82 -1.00 0.00 0.00 0.00 175.76 174.26 2q5z h PRO 17 N 6.22 0.00 -0.00 0.00 0.13 -1.97 0.15 132.00 136.53 2q5z h PRO 17 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2q5z h PRO 17 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 2q5z h PRO 17 CO 0.59 0.00 -0.03 0.39 -0.23 0.00 0.00 178.00 178.72 2q5z n GLU 18 N -2.48 0.40 -2.35 0.86 4.71 -1.26 -4.04 120.64 116.48 2q5z n GLU 18 Ca -0.00 -0.04 -0.23 0.00 -0.01 0.00 0.00 57.16 56.88 2q5z n GLU 18 Cb 0.15 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.09 2q5z n GLU 18 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 2q5z n GLN 19 N -1.27 3.25 0.03 3.49 6.02 0.53 -4.88 117.38 124.55 2q5z n GLN 19 Ca 0.13 -4.25 0.02 0.00 -0.01 0.00 0.00 57.00 52.89 2q5z n GLN 19 Cb 0.26 -2.16 0.36 0.00 1.02 0.00 0.00 30.24 29.73 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 2.47 0.43 -0.60 1.08 4.64 -1.70 -2.37 113.55 117.49 2q5z h SER 20 Ca 0.27 -0.06 0.05 0.00 -0.47 0.00 0.00 61.79 61.59 2q5z h SER 20 Cb 1.18 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 63.11 2q5z h SER 20 CO 0.76 0.45 0.32 -0.33 -0.87 0.00 0.00 176.83 177.15 2q5z h GLU 21 N 0.46 0.58 -0.78 4.77 5.08 -1.95 -2.88 114.58 119.86 2q5z h GLU 21 Ca 0.11 -0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.62 2q5z h GLU 21 Cb 0.20 -0.13 -0.13 0.00 0.50 0.00 0.00 28.75 29.19 2q5z h GLU 21 CO -0.00 0.38 0.11 1.25 -1.00 0.00 0.00 179.01 179.75 2q5z h HIS 22 N 0.59 0.15 -0.04 4.33 2.76 -1.83 -0.15 115.15 120.97 2q5z h HIS 22 Ca 0.27 0.05 -0.12 0.00 -2.20 0.00 0.00 60.37 58.37 2q5z h HIS 22 Cb 0.17 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 2q5z h HIS 22 CO -0.09 -0.19 -0.54 1.88 -1.30 0.00 0.00 177.93 177.69 2q5z h TYR 23 N 0.18 0.13 -0.08 5.26 0.05 -1.57 -0.99 116.97 119.95 2q5z h TYR 23 Ca 0.45 -0.04 -0.09 0.00 0.05 0.00 0.00 58.73 59.10 2q5z h TYR 23 Cb 0.82 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.54 2q5z h TYR 23 CO -0.34 0.62 -0.30 0.35 -1.05 0.00 0.00 178.16 177.45 2q5z h PHE 24 N 0.08 0.46 -0.51 4.88 3.57 -1.05 -1.53 116.94 122.84 2q5z h PHE 24 Ca -0.00 -0.19 0.10 0.00 3.53 0.00 0.00 57.97 61.41 2q5z h PHE 24 Cb 0.98 -0.08 -0.09 0.00 2.79 0.00 0.00 35.95 39.55 2q5z h PHE 24 CO 0.01 0.91 -0.05 0.74 -2.23 0.00 0.00 178.31 177.69 2q5z h PHE 25 N -0.12 -0.13 -0.79 0.41 0.04 -1.05 -2.07 116.94 113.23 2q5z h PHE 25 Ca -0.01 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 2q5z h PHE 25 Cb 0.93 0.14 -0.04 0.00 2.20 0.00 0.00 35.95 39.18 2q5z h PHE 25 CO 0.12 -0.16 0.37 0.87 -0.60 0.00 0.00 178.31 178.91 2q5z h LYS 26 N 0.06 1.14 -0.19 1.51 1.79 -1.12 -0.79 116.57 118.97 2q5z h LYS 26 Ca 0.25 -0.17 0.04 0.00 -2.18 0.00 0.00 60.65 58.59 2q5z h LYS 26 Cb 0.39 -0.20 -0.03 0.00 -1.58 0.00 0.00 32.23 30.81 2q5z h LYS 26 CO -0.47 0.89 -0.03 1.25 -1.08 0.00 0.00 179.45 180.01 2q5z h LEU 27 N 1.12 -0.13 -0.84 2.94 5.85 -0.88 -0.89 115.31 122.46 2q5z h LEU 27 Ca 0.27 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 59.00 2q5z h LEU 27 Cb 0.13 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 2q5z h LEU 27 CO -0.03 -0.04 0.32 0.40 -0.34 0.00 0.00 178.44 178.75 2q5z h ILE 28 N 0.03 1.26 -0.54 4.05 1.08 -1.03 -0.77 117.51 121.59 2q5z h ILE 28 Ca 0.09 -0.80 0.04 0.00 -0.39 0.00 0.00 64.86 63.80 2q5z h ILE 28 Cb 0.13 0.31 -0.04 0.00 -3.07 0.00 0.00 36.82 34.14 2q5z h ILE 28 CO -0.18 0.33 0.28 -0.33 -0.69 0.00 0.00 178.15 177.57 2q5z h GLU 29 N 1.14 0.53 -0.16 2.37 5.08 -0.81 -1.27 114.58 121.47 2q5z h GLU 29 Ca 0.26 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.45 2q5z h GLU 29 Cb 0.20 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2q5z h GLU 29 CO -0.02 0.35 -0.52 0.93 -1.00 0.00 0.00 179.01 178.75 2q5z h GLU 30 N 0.55 0.46 -0.72 2.33 4.39 -0.63 -1.63 114.58 119.32 2q5z h GLU 30 Ca 0.23 -0.27 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 2q5z h GLU 30 Cb 0.13 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 2q5z h GLU 30 CO -0.15 0.87 0.24 0.28 -1.16 0.00 0.00 179.01 179.09 2q5z h VAL 31 N 0.36 1.25 -0.52 3.13 2.07 -0.98 0.26 116.25 121.82 2q5z h VAL 31 Ca 0.01 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 2q5z h VAL 31 Cb 1.03 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 2q5z h VAL 31 CO 0.09 0.34 0.17 1.23 0.02 0.00 0.00 177.57 179.43 2q5z h GLY 32 N 1.11 0.86 1.31 2.17 0.00 -0.96 -0.85 103.07 106.70 2q5z h GLY 32 Ca 0.24 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 2q5z h GLY 32 CO -0.01 0.46 0.27 0.83 0.00 0.00 0.00 176.54 178.09 2q5z h GLU 33 N 0.70 0.89 -0.06 4.80 5.08 -0.93 -1.77 114.58 123.30 2q5z h GLU 33 Ca 0.17 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2q5z h GLU 33 Cb 0.25 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2q5z h GLU 33 CO -0.01 0.72 0.01 1.25 -1.00 0.00 0.00 179.01 179.98 2q5z h LEU 34 N 0.89 -0.01 -0.44 1.33 5.85 -0.25 -1.88 115.31 120.80 2q5z h LEU 34 Ca 0.21 0.01 0.09 0.00 0.84 0.00 0.00 57.88 59.03 2q5z h LEU 34 Cb 0.14 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.11 2q5z h LEU 34 CO -0.02 0.01 -0.09 -1.28 -0.34 0.00 0.00 178.44 176.72 2q5z h SER 35 N 0.03 -0.36 -0.73 1.25 0.87 -0.78 -0.28 113.55 113.54 2q5z h SER 35 Ca 0.03 0.13 0.06 0.00 -1.23 0.00 0.00 61.79 60.77 2q5z h SER 35 Cb 0.02 0.25 -0.06 0.00 -0.44 0.00 0.00 62.40 62.18 2q5z h SER 35 CO -0.04 -0.13 0.43 -0.08 -0.53 0.00 0.00 176.83 176.48 2q5z h GLU 36 N 0.02 0.76 -0.43 2.24 4.81 -1.17 -0.49 114.58 120.32 2q5z h GLU 36 Ca 0.21 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.28 2q5z h GLU 36 Cb 0.32 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2q5z h GLU 36 CO -0.43 0.50 -0.20 0.66 -0.73 0.00 0.00 179.01 178.80 2q5z h SER 37 N 0.78 0.86 0.04 1.04 4.64 -0.43 -1.30 113.55 119.17 2q5z h SER 37 Ca 0.33 -0.31 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2q5z h SER 37 Cb 0.19 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2q5z h SER 37 CO -0.18 1.04 -0.02 0.40 -0.87 0.00 0.00 176.83 177.20 2q5z h ILE 38 N 0.74 1.25 -0.84 0.95 2.04 -0.89 -1.40 117.51 119.37 2q5z h ILE 38 Ca 0.10 -0.94 0.19 0.00 1.00 0.00 0.00 64.86 65.21 2q5z h ILE 38 Cb 0.73 1.88 -0.11 0.00 -0.74 0.00 0.00 36.82 38.57 2q5z h ILE 38 CO 0.06 0.24 0.34 -0.09 0.00 0.00 0.00 178.15 178.69 2q5z h ARG 39 N -0.46 0.39 -0.00 2.37 2.43 -1.00 0.14 114.38 118.24 2q5z h ARG 39 Ca -0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2q5z h ARG 39 Cb 0.43 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2q5z h ARG 39 CO 0.01 0.26 0.00 1.63 -1.51 0.00 0.00 179.97 180.36 2q5z n LYS 40 N -5.05 1.00 -2.49 0.20 5.02 -0.50 -4.91 118.16 111.43 2q5z n LYS 40 Ca 0.19 -0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.32 2q5z n LYS 40 Cb 0.56 -1.46 0.01 0.00 -0.02 0.00 0.00 35.03 34.12 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 0.96 -0.25 2.24 0.72 0.00 0.48 -4.91 105.19 104.43 2q5z n GLY 41 Ca 0.22 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.74 2.35 -2.30 1.61 5.02 -0.55 -4.93 118.16 116.61 2q5z n LYS 42 Ca -0.15 -1.72 -0.25 0.00 -2.02 0.00 0.00 58.31 54.17 2q5z n LYS 42 Cb 0.62 -2.12 0.09 0.00 -0.02 0.00 0.00 35.03 33.60 2q5z n LYS 42 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2q5z s SER 43 N 1.25 4.58 0.00 4.39 0.01 -1.26 -1.57 113.70 121.09 2q5z s SER 43 Ca 0.63 0.21 0.00 0.00 1.31 0.00 0.00 55.95 58.10 2q5z s SER 43 Cb 0.34 -0.77 0.00 0.00 0.21 0.00 0.00 66.02 65.80 2q5z s SER 43 CO -0.10 -1.72 0.00 0.61 0.41 0.00 0.00 173.24 172.44 2q5z n GLY 44 N -2.92 -3.67 3.47 3.44 0.00 -1.26 -4.85 105.19 99.40 2q5z n GLY 44 Ca 0.10 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.89 3.11 0.53 1.61 2.00 -1.26 -4.59 119.66 120.17 2q5z s GLN 45 Ca 0.00 -0.79 -0.19 0.00 -2.00 0.00 0.00 55.36 52.39 2q5z s GLN 45 Cb 0.00 -4.01 -0.07 0.00 0.80 0.00 0.00 33.01 29.74 2q5z s GLN 45 CO 0.00 -0.97 1.06 -1.25 -0.50 0.00 0.00 175.29 173.63 2q5z s PRO 46 N 2.29 3.59 1.12 1.67 0.04 -1.26 -5.06 135.00 137.39 2q5z s PRO 46 Ca 0.13 1.36 -0.19 0.00 0.04 0.00 0.00 61.00 62.34 2q5z s PRO 46 Cb -0.18 -2.06 0.27 0.00 0.04 0.00 0.00 34.50 32.57 2q5z s PRO 46 CO 0.13 -0.61 1.19 0.25 0.04 0.00 0.00 177.00 178.01 2q5z n THR 47 N -1.32 0.00 -0.24 1.26 -2.24 -1.26 -4.80 114.28 105.68 2q5z n THR 47 Ca 0.09 -0.69 -0.06 0.00 -2.27 0.00 0.00 64.05 61.13 2q5z n THR 47 Cb 0.52 -1.36 0.05 0.00 -2.10 0.00 0.00 70.33 67.45 2q5z n THR 47 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2q5z h LEU 48 N 0.00 0.78 -1.14 3.22 5.85 -2.00 -1.72 115.31 120.30 2q5z h LEU 48 Ca -0.42 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 2q5z h LEU 48 Cb 1.22 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 2q5z h LEU 48 CO 0.28 0.58 -0.02 0.44 -0.34 0.00 0.00 178.44 179.38 2q5z h ASP 49 N 0.90 0.00 0.54 1.25 3.32 -2.01 -2.95 116.42 117.47 2q5z h ASP 49 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2q5z h ASP 49 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.48 2q5z h ASP 49 CO -0.05 0.02 -0.70 -0.62 -1.72 0.00 0.00 179.24 176.18 2q5z n GLU 50 N -3.12 0.14 -0.02 3.56 1.02 -0.85 -4.58 120.64 116.79 2q5z n GLU 50 Ca 0.01 0.02 -0.09 0.00 -0.02 0.00 0.00 57.16 57.08 2q5z n GLU 50 Cb 0.36 -1.57 -0.03 0.00 -0.02 0.00 0.00 31.44 30.18 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 0.00 -0.24 -9.31 -4.62 5.85 -1.15 -3.35 115.31 102.49 2q5z h LEU 51 Ca 0.00 0.06 -0.54 0.00 0.84 0.00 0.00 57.88 58.24 2q5z h LEU 51 Cb 0.62 0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.79 2q5z h LEU 51 CO 0.00 -0.10 1.18 -0.75 -0.34 0.00 0.00 178.44 178.44 2q5z s LYS 52 N -6.19 4.14 0.00 1.25 2.20 -1.26 -1.68 119.74 118.19 2q5z s LYS 52 Ca -0.14 2.44 0.00 0.00 -0.36 0.00 0.00 55.97 57.91 2q5z s LYS 52 Cb 0.10 -4.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.32 2q5z s LYS 52 CO 0.68 -0.94 0.00 0.41 -0.36 0.00 0.00 175.35 175.14 2q5z n GLY 53 N 4.41 0.85 3.77 5.54 0.00 -1.26 -5.04 105.19 113.47 2q5z n GLY 53 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.90 5.48 0.32 1.61 1.04 -0.68 -4.66 113.70 113.91 2q5z s SER 54 Ca 0.00 2.07 0.09 0.00 0.48 0.00 0.00 55.95 58.59 2q5z s SER 54 Cb 0.00 -2.56 0.84 0.00 0.10 0.00 0.00 66.02 64.40 2q5z s SER 54 CO 0.00 -1.38 1.75 0.58 0.98 0.00 0.00 173.24 175.17 2q5z h VAL 55 N 0.66 0.60 0.09 5.02 2.07 -1.55 -1.89 116.25 121.25 2q5z h VAL 55 Ca -0.48 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 66.82 2q5z h VAL 55 Cb 1.25 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2q5z h VAL 55 CO 0.56 0.12 -0.11 0.00 0.02 0.00 0.00 177.57 178.16 2q5z h ALA 56 N 1.69 -0.19 -0.80 1.67 0.00 -1.81 -0.26 119.26 119.56 2q5z h ALA 56 Ca 0.62 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.52 2q5z h ALA 56 Cb 1.12 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 2q5z h ALA 56 CO -0.43 -0.63 0.53 1.49 0.00 0.00 0.00 179.25 180.21 2q5z h GLU 57 N -0.23 1.04 -0.12 0.00 4.81 -1.60 -1.56 114.58 116.92 2q5z h GLU 57 Ca 0.01 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.02 2q5z h GLU 57 Cb 0.23 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2q5z h GLU 57 CO -0.04 0.69 -0.59 0.93 -0.73 0.00 0.00 179.01 179.27 2q5z h GLU 58 N 1.07 0.40 -0.33 1.92 4.39 -1.13 -0.47 114.58 120.43 2q5z h GLU 58 Ca 0.30 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2q5z h GLU 58 Cb -0.09 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 2q5z h GLU 58 CO -0.08 0.88 0.19 -0.07 -1.16 0.00 0.00 179.01 178.77 2q5z h LEU 59 N 0.30 0.41 -0.60 1.33 3.38 -0.84 -0.93 115.31 118.36 2q5z h LEU 59 Ca -0.00 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 57.98 2q5z h LEU 59 Cb 1.11 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.69 2q5z h LEU 59 CO 0.10 0.37 0.21 0.22 0.09 0.00 0.00 178.44 179.43 2q5z h TYR 60 N 0.42 0.36 -0.32 1.13 3.20 -0.96 -0.90 116.97 119.90 2q5z h TYR 60 Ca 0.12 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 2q5z h TYR 60 Cb 0.05 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 2q5z h TYR 60 CO -0.03 0.08 -0.12 -0.44 -1.64 0.00 0.00 178.16 176.00 2q5z h ASP 61 N 0.38 0.54 -0.13 -2.11 3.32 -0.73 0.22 116.42 117.91 2q5z h ASP 61 Ca 0.30 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 2q5z h ASP 61 Cb 0.38 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 2q5z h ASP 61 CO -0.32 0.70 -0.03 0.58 -1.72 0.00 0.00 179.24 178.45 2q5z h VAL 62 N 0.51 1.28 -0.56 -1.35 2.07 -0.89 -2.67 116.25 114.65 2q5z h VAL 62 Ca 0.09 -0.95 0.10 0.00 0.82 0.00 0.00 66.70 66.76 2q5z h VAL 62 Cb 0.52 1.66 -0.08 0.00 -1.52 0.00 0.00 31.29 31.87 2q5z h VAL 62 CO 0.03 0.27 0.14 0.25 0.02 0.00 0.00 177.57 178.28 2q5z h LEU 63 N -0.07 0.05 -0.51 2.57 5.85 -0.61 0.74 115.31 123.33 2q5z h LEU 63 Ca 0.03 0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.95 2q5z h LEU 63 Cb 0.44 0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.49 2q5z h LEU 63 CO 0.01 0.05 -0.12 0.22 -0.34 0.00 0.00 178.44 178.26 2q5z h TYR 64 N 0.28 -0.26 0.00 1.25 3.20 -0.52 -0.41 116.97 120.51 2q5z h TYR 64 Ca 0.29 0.05 -0.12 0.00 3.14 0.00 0.00 58.73 62.08 2q5z h TYR 64 Cb 0.39 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 2q5z h TYR 64 CO -0.22 -0.22 -0.56 1.88 -1.64 0.00 0.00 178.16 177.40 2q5z h TYR 65 N 0.01 0.00 -0.36 -3.82 -1.99 -0.91 -0.25 116.97 109.64 2q5z h TYR 65 Ca 0.25 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.98 2q5z h TYR 65 Cb 0.38 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.09 2q5z h TYR 65 CO -0.43 0.56 0.23 0.28 -0.00 0.00 0.00 178.16 178.81 2q5z h VAL 66 N 0.00 1.10 -0.54 -2.88 2.07 -0.42 0.68 116.25 116.26 2q5z h VAL 66 Ca -0.01 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 2q5z h VAL 66 Cb 1.17 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2q5z h VAL 66 CO 0.07 0.10 0.04 0.00 0.02 0.00 0.00 177.57 177.81 2q5z h ALA 68 N 0.97 0.44 -0.91 0.00 0.00 -0.94 -1.55 119.26 117.28 2q5z h ALA 68 Ca 0.16 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2q5z h ALA 68 Cb 0.47 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2q5z h ALA 68 CO 0.02 0.10 0.60 -0.07 0.00 0.00 0.00 179.25 179.90 2q5z h LEU 69 N 0.39 1.02 -0.13 0.00 3.38 -0.79 -1.49 115.31 117.68 2q5z h LEU 69 Ca 0.11 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.07 2q5z h LEU 69 Cb 0.29 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2q5z h LEU 69 CO 0.00 0.72 0.02 0.00 0.09 0.00 0.00 178.44 179.27 2q5z h ALA 70 N 1.35 0.13 -0.39 1.53 0.00 -0.91 0.12 119.26 121.08 2q5z h ALA 70 Ca 0.34 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.35 2q5z h ALA 70 Cb -0.09 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 2q5z h ALA 70 CO -0.09 -0.43 -0.02 -0.91 0.00 0.00 0.00 179.25 177.80 2q5z h ASN 71 N 0.07 -0.19 -0.89 0.00 2.35 -1.05 0.15 115.58 116.01 2q5z h ASN 71 Ca 0.06 0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.93 2q5z h ASN 71 Cb 0.06 0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.55 2q5z h ASN 71 CO -0.09 -0.06 0.59 0.40 -1.65 0.00 0.00 177.43 176.62 2q5z h ILE 72 N 0.09 1.19 -0.61 2.81 1.08 -0.65 -3.06 117.51 118.35 2q5z h ILE 72 Ca 0.19 -0.40 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 2q5z h ILE 72 Cb 0.28 -0.08 0.00 0.00 -3.07 0.00 0.00 36.82 33.95 2q5z h ILE 72 CO -0.33 0.21 0.00 1.41 -0.69 0.00 0.00 178.15 178.75 2q5z n HIS 73 N -4.42 1.54 -1.59 1.37 8.25 0.35 -4.93 115.22 115.79 2q5z n HIS 73 Ca 0.11 -0.64 -0.06 0.00 -0.26 0.00 0.00 57.72 56.87 2q5z n HIS 73 Cb 0.06 -0.29 -0.02 0.00 1.12 0.00 0.00 29.99 30.87 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 0.94 0.54 3.73 -1.41 0.00 -0.76 -5.01 105.19 103.22 2q5z n GLY 74 Ca 0.26 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.27 5.21 -0.41 1.61 1.01 -0.03 -5.03 120.40 120.49 2q5z s VAL 75 Ca 0.00 0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 2q5z s VAL 75 Cb 0.00 -3.34 0.02 0.00 0.00 0.00 0.00 36.38 33.06 2q5z s VAL 75 CO 0.00 0.49 0.33 0.21 0.00 0.00 0.00 175.10 176.13 2q5z s ASN 76 N 0.00 6.13 0.25 3.32 3.84 -1.26 -4.25 114.94 122.97 2q5z s ASN 76 Ca 0.08 -0.82 -0.04 0.00 0.21 0.00 0.00 52.86 52.30 2q5z s ASN 76 Cb -0.12 -2.17 0.29 0.00 -0.55 0.00 0.00 41.25 38.71 2q5z s ASN 76 CO 0.00 -0.46 1.77 -0.07 -2.79 0.00 0.00 177.10 175.55 2q5z h LEU 77 N 8.71 0.86 -0.04 3.21 3.38 -1.96 -1.67 115.31 127.80 2q5z h LEU 77 Ca -0.27 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 2q5z h LEU 77 Cb 1.12 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 2q5z h LEU 77 CO 0.74 0.87 0.01 -0.08 0.09 0.00 0.00 178.44 180.07 2q5z h GLU 78 N 0.86 0.07 -1.01 1.13 4.57 -1.94 0.24 114.58 118.50 2q5z h GLU 78 Ca 0.18 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.38 2q5z h GLU 78 Cb 0.37 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.90 2q5z h GLU 78 CO 0.01 0.23 0.66 -0.22 -1.18 0.00 0.00 179.01 178.51 2q5z h LYS 79 N -0.11 1.24 -0.33 1.92 1.63 -1.96 -0.64 116.57 118.32 2q5z h LYS 79 Ca 0.01 -0.07 -0.07 0.00 -0.85 0.00 0.00 60.65 59.67 2q5z h LYS 79 Cb 0.19 -0.28 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 2q5z h LYS 79 CO -0.00 0.82 -0.05 1.15 -3.45 0.00 0.00 179.45 177.92 2q5z h THR 80 N 1.28 1.27 -0.29 1.00 2.02 -1.08 -0.70 112.91 116.42 2q5z h THR 80 Ca 0.40 -1.08 0.05 0.00 0.77 0.00 0.00 66.41 66.56 2q5z h THR 80 Cb -0.01 1.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.66 2q5z h THR 80 CO -0.12 0.35 -0.02 -0.09 0.37 0.00 0.00 175.52 176.01 2q5z h ARG 81 N 0.40 0.06 -0.38 6.66 2.43 -0.09 0.14 114.38 123.60 2q5z h ARG 81 Ca 0.09 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.30 2q5z h ARG 81 Cb 0.53 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.02 2q5z h ARG 81 CO 0.03 0.04 0.10 0.93 -1.51 0.00 0.00 179.97 179.56 2q5z h GLU 82 N 0.06 0.24 -0.79 0.20 5.08 -0.78 -1.52 114.58 117.07 2q5z h GLU 82 Ca 0.14 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2q5z h GLU 82 Cb 0.20 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 2q5z h GLU 82 CO -0.25 0.16 0.43 -0.07 -1.00 0.00 0.00 179.01 178.27 2q5z h LEU 83 N 0.24 0.99 -1.24 1.33 3.38 -0.68 -1.02 115.31 118.32 2q5z h LEU 83 Ca 0.18 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2q5z h LEU 83 Cb 0.19 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 2q5z h LEU 83 CO -0.21 0.81 0.47 0.11 0.09 0.00 0.00 178.44 179.71 2q5z h LYS 84 N 1.10 0.98 -0.31 1.13 1.79 -0.67 0.85 116.57 121.44 2q5z h LYS 84 Ca 0.28 -0.07 -0.18 0.00 -2.18 0.00 0.00 60.65 58.50 2q5z h LYS 84 Cb 0.04 -0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 30.47 2q5z h LYS 84 CO -0.04 0.66 -0.50 0.93 -1.08 0.00 0.00 179.45 179.42 2q5z h GLU 85 N 1.00 0.87 -0.11 3.15 4.39 -0.81 -2.57 114.58 120.51 2q5z h GLU 85 Ca 0.27 -0.52 0.00 0.00 0.34 0.00 0.00 59.36 59.45 2q5z h GLU 85 Cb -0.09 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2q5z h GLU 85 CO -0.05 1.16 0.07 0.28 -1.16 0.00 0.00 179.01 179.31 2q5z h VAL 86 N 0.68 1.03 -0.53 3.13 2.07 -0.88 -2.38 116.25 119.38 2q5z h VAL 86 Ca 0.03 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2q5z h VAL 86 Cb 1.10 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 2q5z h VAL 86 CO 0.11 0.03 0.33 0.25 0.02 0.00 0.00 177.57 178.31 2q5z h LEU 87 N 0.15 0.62 -0.66 2.57 5.85 -0.80 0.02 115.31 123.05 2q5z h LEU 87 Ca 0.04 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.80 2q5z h LEU 87 Cb -0.02 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 2q5z h LEU 87 CO -0.01 0.47 0.33 -1.13 -0.34 0.00 0.00 178.44 177.76 2q5z h ASN 88 N 0.71 0.45 -0.27 1.25 -1.24 -1.42 -1.39 115.58 113.68 2q5z h ASN 88 Ca 0.19 0.05 -0.10 0.00 0.71 0.00 0.00 56.30 57.14 2q5z h ASN 88 Cb -0.05 -0.03 -0.00 0.00 0.73 0.00 0.00 38.32 38.97 2q5z h ASN 88 CO -0.04 0.28 -0.24 0.50 -1.29 0.00 0.00 177.43 176.64 2q5z h LYS 89 N 0.60 0.63 -0.04 6.67 3.64 -0.80 -2.53 116.57 124.74 2q5z h LYS 89 Ca 0.31 -0.32 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 2q5z h LYS 89 Cb 0.28 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2q5z h LYS 89 CO -0.23 0.92 -0.17 -0.39 -2.27 0.00 0.00 179.45 177.31 2q5z h VAL 90 N 0.36 1.15 -0.66 2.00 -1.51 -0.91 0.14 116.25 116.81 2q5z h VAL 90 Ca 0.05 -0.69 -0.07 0.00 -1.23 0.00 0.00 66.70 64.76 2q5z h VAL 90 Cb 0.79 1.31 -0.03 0.00 -2.13 0.00 0.00 31.29 31.24 2q5z h VAL 90 CO 0.06 0.20 0.13 0.11 -1.23 0.00 0.00 177.57 176.84 2q5z h LYS 91 N 0.06 1.08 0.00 5.19 1.57 -0.84 -3.38 116.57 120.25 2q5z h LYS 91 Ca 0.01 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2q5z h LYS 91 Cb 0.34 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2q5z h LYS 91 CO 0.02 0.98 -0.50 0.66 -0.57 0.00 0.00 179.45 180.05 2q5z n TYR 92 N -4.26 0.00 -2.10 -1.35 4.01 -1.04 -5.03 117.16 107.39 2q5z n TYR 92 Ca 0.04 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.38 2q5z n TYR 92 Cb 0.28 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.29 2q5z n TYR 92 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2q5z s ASN 93 N -1.46 6.63 0.00 7.72 2.47 0.45 -5.09 114.94 125.65 2q5z s ASN 93 Ca 0.00 2.67 0.24 0.00 0.42 0.00 0.00 52.86 56.19 2q5z s ASN 93 Cb 0.00 -2.64 1.43 0.00 -1.45 0.00 0.00 41.25 38.58 2q5z s ASN 93 CO 0.00 -0.63 1.79 -2.11 -3.72 0.00 0.00 177.10 172.43