#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q9l s LYS 2 N 0.00 4.61 0.24 2.12 2.20 -1.26 -4.94 119.74 122.71 2q9l s LYS 2 Ca 0.00 1.63 -0.07 0.00 -0.36 0.00 0.00 55.97 57.17 2q9l s LYS 2 Cb 0.00 -3.07 0.24 0.00 -1.51 0.00 0.00 37.83 33.50 2q9l s LYS 2 CO 0.00 0.24 1.92 1.25 -0.36 0.00 0.00 175.35 178.40 2q9l h LEU 3 N 3.62 1.11 -1.17 5.43 5.85 -2.03 0.10 115.31 128.22 2q9l h LEU 3 Ca -0.47 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.17 2q9l h LEU 3 Cb 1.21 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 2q9l h LEU 3 CO 0.66 0.81 0.00 0.28 -0.34 0.00 0.00 178.44 179.85 2q9l h SER 4 N 1.31 0.53 -0.20 1.25 0.02 -1.99 -2.18 113.55 112.30 2q9l h SER 4 Ca 0.35 -0.11 -0.13 0.00 -0.84 0.00 0.00 61.79 61.06 2q9l h SER 4 Cb -0.14 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.26 2q9l h SER 4 CO -0.08 0.61 -0.40 -0.33 -1.14 0.00 0.00 176.83 175.49 2q9l h GLU 5 N 0.54 0.63 -0.10 3.45 5.08 -1.68 -0.98 114.58 121.51 2q9l h GLU 5 Ca 0.12 -0.41 0.04 0.00 -1.00 0.00 0.00 59.36 58.11 2q9l h GLU 5 Cb 0.35 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 2q9l h GLU 5 CO 0.01 1.02 -0.16 1.25 -1.00 0.00 0.00 179.01 180.14 2q9l h LEU 6 N 0.31 -0.48 -0.31 1.33 5.85 -0.92 0.29 115.31 121.38 2q9l h LEU 6 Ca 0.01 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.84 2q9l h LEU 6 Cb 1.00 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 2q9l h LEU 6 CO 0.09 -0.21 0.12 -0.61 -0.34 0.00 0.00 178.44 177.49 2q9l h GLN 7 N -0.21 0.25 -0.31 1.25 4.15 -1.39 -1.01 115.11 117.84 2q9l h GLN 7 Ca 0.09 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.40 2q9l h GLN 7 Cb 0.33 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 2q9l h GLN 7 CO -0.23 0.16 -0.19 1.03 -1.93 0.00 0.00 178.83 177.68 2q9l h SER 8 N 0.26 0.56 -0.38 -0.69 0.87 -1.01 -2.03 113.55 111.13 2q9l h SER 8 Ca 0.14 -0.18 -0.12 0.00 -1.23 0.00 0.00 61.79 60.40 2q9l h SER 8 Cb 0.10 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2q9l h SER 8 CO -0.13 0.76 -0.24 0.45 -0.53 0.00 0.00 176.83 177.14 2q9l h HIS 9 N 0.51 0.97 -0.76 2.24 3.86 -0.14 -2.71 115.15 119.12 2q9l h HIS 9 Ca 0.08 -0.26 -0.05 0.00 -1.16 0.00 0.00 60.37 58.99 2q9l h HIS 9 Cb 0.62 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.83 2q9l h HIS 9 CO 0.02 1.03 0.30 0.82 0.86 0.00 0.00 177.93 180.96 2q9l h ILE 10 N 0.64 1.26 -0.07 2.45 2.04 -1.08 -2.60 117.51 120.14 2q9l h ILE 10 Ca 0.08 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 2q9l h ILE 10 Cb 0.80 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2q9l h ILE 10 CO 0.07 0.33 -0.13 0.50 0.00 0.00 0.00 178.15 178.92 2q9l h LYS 11 N 1.10 0.11 -0.42 2.37 3.64 -1.33 0.70 116.57 122.75 2q9l h LYS 11 Ca 0.25 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2q9l h LYS 11 Cb 0.23 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2q9l h LYS 11 CO -0.02 0.25 0.25 0.93 -2.27 0.00 0.00 179.45 178.59 2q9l h GLU 12 N 0.11 0.58 -0.01 1.90 5.08 -1.13 -3.33 114.58 117.78 2q9l h GLU 12 Ca 0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2q9l h GLU 12 Cb 0.31 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2q9l h GLU 12 CO 0.02 0.44 -0.30 1.19 -1.00 0.00 0.00 179.01 179.35 2q9l n PHE 13 N -4.74 0.00 -3.05 4.33 3.72 -1.10 -4.79 117.46 111.83 2q9l n PHE 13 Ca 0.01 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.29 2q9l n PHE 13 Cb 0.06 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.57 2q9l n PHE 13 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2q9l s ASP 14 N -1.75 -0.32 -0.29 4.37 2.15 0.22 -5.09 116.67 115.96 2q9l s ASP 14 Ca 0.12 -2.06 -0.04 0.00 0.43 0.00 0.00 52.55 51.00 2q9l s ASP 14 Cb 0.12 1.06 0.10 0.00 -0.30 0.00 0.00 42.92 43.89 2q9l s ASP 14 CO 0.36 -0.12 0.13 -0.47 -0.17 0.00 0.00 175.17 174.91 2q9l s TYR 15 N 0.75 0.31 -0.48 -5.34 5.04 -1.25 -4.38 117.35 112.01 2q9l s TYR 15 Ca 0.29 -0.86 0.03 0.00 -2.44 0.00 0.00 57.07 54.09 2q9l s TYR 15 Cb -0.01 -0.89 0.14 0.00 0.35 0.00 0.00 41.96 41.55 2q9l s TYR 15 CO -0.09 -0.82 0.27 0.00 -1.34 0.00 0.00 175.55 173.57 2q9l s ALA 16 N 2.10 2.50 0.31 3.97 0.00 -1.26 -5.00 121.76 124.38 2q9l s ALA 16 Ca 0.09 -2.84 0.35 0.00 0.00 0.00 0.00 51.96 49.56 2q9l s ALA 16 Cb -0.16 -1.96 1.66 0.00 0.00 0.00 0.00 23.12 22.66 2q9l s ALA 16 CO -0.36 -2.05 2.10 -1.00 0.00 0.00 0.00 175.76 174.45 2q9l h PRO 17 N 6.51 0.00 -0.09 0.00 0.13 -1.97 -1.50 132.00 135.08 2q9l h PRO 17 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2q9l h PRO 17 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2q9l h PRO 17 CO 0.54 0.03 0.00 0.39 -0.23 0.00 0.00 178.00 178.73 2q9l n GLU 18 N -3.18 1.25 -2.52 0.86 1.02 -1.26 -3.83 120.64 112.98 2q9l n GLU 18 Ca -0.01 -0.38 -0.19 0.00 -0.02 0.00 0.00 57.16 56.56 2q9l n GLU 18 Cb 0.24 -1.18 0.01 0.00 -0.02 0.00 0.00 31.44 30.49 2q9l n GLU 18 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2q9l n GLN 19 N -0.28 2.60 0.25 3.49 6.02 -0.57 -4.88 117.38 124.01 2q9l n GLN 19 Ca 0.08 -4.00 0.08 0.00 -0.01 0.00 0.00 57.00 53.15 2q9l n GLN 19 Cb 0.12 -1.88 0.62 0.00 1.02 0.00 0.00 30.24 30.11 2q9l n GLN 19 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2q9l h SER 20 N 2.68 0.00 -0.23 1.08 4.64 -1.73 -2.77 113.55 117.22 2q9l h SER 20 Ca 0.15 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.27 2q9l h SER 20 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2q9l h SER 20 CO 0.69 0.06 -0.63 -0.33 -0.87 0.00 0.00 176.83 175.75 2q9l h GLU 21 N 0.00 0.83 -0.78 4.77 4.39 -1.94 -2.67 114.58 119.18 2q9l h GLU 21 Ca -0.00 -0.59 0.13 0.00 0.34 0.00 0.00 59.36 59.25 2q9l h GLU 21 Cb 0.11 0.09 -0.14 0.00 -0.10 0.00 0.00 28.75 28.71 2q9l h GLU 21 CO 0.01 1.21 -0.33 1.25 -1.16 0.00 0.00 179.01 179.99 2q9l h HIS 22 N 0.59 -0.90 -0.36 4.33 -0.00 -1.90 0.16 115.15 117.07 2q9l h HIS 22 Ca -0.01 0.09 -0.13 0.00 -0.00 0.00 0.00 60.37 60.31 2q9l h HIS 22 Cb 1.25 0.51 -0.01 0.00 -0.00 0.00 0.00 27.41 29.16 2q9l h HIS 22 CO 0.08 -0.39 -0.29 1.88 -0.00 0.00 0.00 177.93 179.21 2q9l h TYR 23 N -0.07 0.90 -0.22 5.26 -1.99 -1.54 -0.62 116.97 118.68 2q9l h TYR 23 Ca 0.30 -0.23 -0.06 0.00 2.00 0.00 0.00 58.73 60.74 2q9l h TYR 23 Cb 0.58 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 39.10 2q9l h TYR 23 CO -0.73 0.97 -0.10 0.35 -0.00 0.00 0.00 178.16 178.66 2q9l h PHE 24 N 0.66 0.53 -0.24 4.88 3.57 -1.06 -1.04 116.94 124.24 2q9l h PHE 24 Ca 0.08 -0.13 0.06 0.00 3.53 0.00 0.00 57.97 61.51 2q9l h PHE 24 Cb 0.82 -0.12 -0.07 0.00 2.79 0.00 0.00 35.95 39.37 2q9l h PHE 24 CO 0.04 0.73 -0.20 0.74 -2.23 0.00 0.00 178.31 177.39 2q9l h PHE 25 N 0.17 -0.52 -0.97 0.41 0.04 -0.55 -2.04 116.94 113.48 2q9l h PHE 25 Ca 0.05 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.92 2q9l h PHE 25 Cb 0.59 0.26 -0.06 0.00 2.20 0.00 0.00 35.95 38.94 2q9l h PHE 25 CO 0.06 -0.28 0.63 0.87 -0.60 0.00 0.00 178.31 178.99 2q9l h LYS 26 N -0.20 1.10 -0.25 1.51 1.79 -1.06 -1.18 116.57 118.28 2q9l h LYS 26 Ca 0.14 -0.07 0.04 0.00 -2.18 0.00 0.00 60.65 58.58 2q9l h LYS 26 Cb 0.41 -0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 30.77 2q9l h LYS 26 CO -0.36 0.73 0.04 1.25 -1.08 0.00 0.00 179.45 180.03 2q9l h LEU 27 N 1.14 -0.02 -0.83 2.94 5.85 -0.70 -2.26 115.31 121.43 2q9l h LEU 27 Ca 0.41 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 59.11 2q9l h LEU 27 Cb 0.16 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2q9l h LEU 27 CO -0.16 0.02 0.17 0.40 -0.34 0.00 0.00 178.44 178.54 2q9l h ILE 28 N 0.12 1.25 -0.57 4.05 1.08 -0.68 -1.87 117.51 120.90 2q9l h ILE 28 Ca 0.11 -0.92 0.10 0.00 -0.39 0.00 0.00 64.86 63.77 2q9l h ILE 28 Cb 0.13 0.56 -0.08 0.00 -3.07 0.00 0.00 36.82 34.35 2q9l h ILE 28 CO -0.16 0.35 0.14 -0.33 -0.69 0.00 0.00 178.15 177.46 2q9l h GLU 29 N 1.00 0.27 -0.16 2.37 5.08 -1.03 -1.81 114.58 120.30 2q9l h GLU 29 Ca 0.21 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.39 2q9l h GLU 29 Cb 0.34 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2q9l h GLU 29 CO -0.00 0.18 -0.60 0.93 -1.00 0.00 0.00 179.01 178.52 2q9l h GLU 30 N 0.28 0.52 -0.48 2.33 4.39 -1.01 -1.24 114.58 119.36 2q9l h GLU 30 Ca 0.30 -0.35 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 2q9l h GLU 30 Cb 0.42 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 2q9l h GLU 30 CO -0.36 0.96 0.02 0.28 -1.16 0.00 0.00 179.01 178.74 2q9l h VAL 31 N 0.39 1.24 -0.39 3.13 2.07 -1.17 0.61 116.25 122.13 2q9l h VAL 31 Ca -0.00 -0.98 -0.13 0.00 0.82 0.00 0.00 66.70 66.41 2q9l h VAL 31 Cb 1.15 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2q9l h VAL 31 CO 0.11 0.35 -0.26 1.23 0.02 0.00 0.00 177.57 179.01 2q9l h GLY 32 N 0.97 0.88 1.54 2.17 0.00 -1.06 -1.23 103.07 106.34 2q9l h GLY 32 Ca 0.15 -0.79 -0.13 0.00 0.00 0.00 0.00 47.33 46.56 2q9l h GLY 32 CO 0.02 0.71 -0.44 0.83 0.00 0.00 0.00 176.54 177.66 2q9l h GLU 33 N 0.69 0.50 -0.64 4.80 5.08 -0.79 -2.76 114.58 121.46 2q9l h GLU 33 Ca 0.09 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 2q9l h GLU 33 Cb 0.80 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 2q9l h GLU 33 CO 0.07 0.84 0.22 1.25 -1.00 0.00 0.00 179.01 180.39 2q9l h LEU 34 N 0.41 0.89 -0.80 1.33 5.85 0.43 -2.60 115.31 120.82 2q9l h LEU 34 Ca 0.03 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.51 2q9l h LEU 34 Cb 0.93 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 2q9l h LEU 34 CO 0.08 0.83 -0.10 -1.28 -0.34 0.00 0.00 178.44 177.63 2q9l h SER 35 N 0.94 0.78 -0.41 1.25 0.87 -1.06 -1.41 113.55 114.51 2q9l h SER 35 Ca 0.21 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2q9l h SER 35 Cb 0.24 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 2q9l h SER 35 CO -0.01 0.91 0.22 -0.08 -0.53 0.00 0.00 176.83 177.34 2q9l h GLU 36 N 0.72 0.57 -0.38 2.24 4.81 -1.30 -1.33 114.58 119.91 2q9l h GLU 36 Ca 0.12 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2q9l h GLU 36 Cb 0.59 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 2q9l h GLU 36 CO 0.04 0.46 0.22 0.77 -0.73 0.00 0.00 179.01 179.77 2q9l h SER 37 N 0.52 0.46 -0.28 1.04 0.02 -1.06 0.22 113.55 114.47 2q9l h SER 37 Ca 0.14 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2q9l h SER 37 Cb 0.06 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 2q9l h SER 37 CO -0.02 0.38 0.13 0.40 -1.14 0.00 0.00 176.83 176.58 2q9l h ILE 38 N 0.49 1.16 -0.68 3.27 2.04 -1.24 -1.57 117.51 120.98 2q9l h ILE 38 Ca 0.13 -0.47 0.10 0.00 1.00 0.00 0.00 64.86 65.63 2q9l h ILE 38 Cb 0.01 0.95 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 2q9l h ILE 38 CO -0.02 0.16 0.31 -0.09 0.00 0.00 0.00 178.15 178.50 2q9l h ARG 39 N 0.31 0.51 0.00 2.37 2.43 -0.88 0.11 114.38 119.22 2q9l h ARG 39 Ca 0.10 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2q9l h ARG 39 Cb 0.14 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2q9l h ARG 39 CO -0.01 0.33 0.00 1.63 -1.51 0.00 0.00 179.97 180.41 2q9l n LYS 40 N -4.92 1.00 -2.92 0.20 5.02 0.03 -4.92 118.16 111.65 2q9l n LYS 40 Ca 0.10 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.18 2q9l n LYS 40 Cb 0.29 -1.43 0.03 0.00 -0.02 0.00 0.00 35.03 33.90 2q9l n LYS 40 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2q9l n GLY 41 N 0.92 -0.48 2.38 0.72 0.00 0.37 -4.90 105.19 104.20 2q9l n GLY 41 Ca 0.20 0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.96 2q9l n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2q9l n LYS 42 N -3.82 3.75 -2.02 1.61 5.02 -0.66 -4.93 118.16 117.10 2q9l n LYS 42 Ca -0.13 -2.66 -0.28 0.00 -2.02 0.00 0.00 58.31 53.22 2q9l n LYS 42 Cb 0.63 -2.55 0.14 0.00 -0.02 0.00 0.00 35.03 33.23 2q9l n LYS 42 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2q9l s SER 43 N 1.09 3.76 0.00 4.39 0.01 -1.26 -1.13 113.70 120.56 2q9l s SER 43 Ca 0.61 0.34 0.00 0.00 1.31 0.00 0.00 55.95 58.21 2q9l s SER 43 Cb 0.23 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.86 2q9l s SER 43 CO -0.09 -2.32 0.00 0.61 0.41 0.00 0.00 173.24 171.85 2q9l n GLY 44 N -3.47 0.51 3.29 3.44 0.00 -1.26 -4.88 105.19 102.83 2q9l n GLY 44 Ca 0.13 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 2q9l n GLY 44 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2q9l s GLN 45 N -1.05 2.71 0.51 1.61 2.00 -1.26 -4.60 119.66 119.58 2q9l s GLN 45 Ca 0.00 -1.51 -0.21 0.00 -2.00 0.00 0.00 55.36 51.64 2q9l s GLN 45 Cb 0.00 -3.93 -0.06 0.00 0.80 0.00 0.00 33.01 29.81 2q9l s GLN 45 CO 0.00 -1.04 1.19 -1.25 -0.50 0.00 0.00 175.29 173.68 2q9l s PRO 46 N 1.48 3.48 1.11 1.67 0.04 -1.26 -5.07 135.00 136.45 2q9l s PRO 46 Ca 0.04 1.81 -0.19 0.00 0.04 0.00 0.00 61.00 62.70 2q9l s PRO 46 Cb -0.24 -2.23 0.27 0.00 0.04 0.00 0.00 34.50 32.34 2q9l s PRO 46 CO 0.03 -0.79 1.06 0.25 0.04 0.00 0.00 177.00 177.59 2q9l n THR 47 N -0.89 0.00 0.00 1.26 -2.24 -1.26 -4.88 114.28 106.27 2q9l n THR 47 Ca 0.10 -0.53 -0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2q9l n THR 47 Cb 0.48 -1.28 0.29 0.00 -2.10 0.00 0.00 70.33 67.73 2q9l n THR 47 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2q9l h LEU 48 N 0.00 0.49 0.00 3.22 5.85 -2.01 -2.88 115.31 119.98 2q9l h LEU 48 Ca -0.39 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2q9l h LEU 48 Cb 1.17 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.07 2q9l h LEU 48 CO 0.26 0.57 -0.29 -2.24 -0.34 0.00 0.00 178.44 176.41 2q9l h ASP 49 N 0.50 0.00 -0.10 1.25 3.04 -2.02 -3.15 116.42 115.94 2q9l h ASP 49 Ca 0.11 -0.08 0.00 0.00 -3.24 0.00 0.00 57.03 53.81 2q9l h ASP 49 Cb 0.35 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.64 2q9l h ASP 49 CO 0.01 0.04 0.00 -0.62 -2.04 0.00 0.00 179.24 176.63 2q9l n GLU 50 N -2.31 2.19 -0.08 4.15 1.02 -1.11 -4.63 120.64 119.87 2q9l n GLU 50 Ca 0.04 -1.75 -0.14 0.00 -0.02 0.00 0.00 57.16 55.30 2q9l n GLU 50 Cb 0.45 -1.47 -0.05 0.00 -0.02 0.00 0.00 31.44 30.35 2q9l n GLU 50 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2q9l h LEU 51 N 4.05 0.75 -9.44 -4.62 5.85 -1.47 -3.38 115.31 107.05 2q9l h LEU 51 Ca 0.00 -0.50 -0.53 0.00 0.84 0.00 0.00 57.88 57.69 2q9l h LEU 51 Cb 0.87 -0.21 0.03 0.00 0.37 0.00 0.00 40.66 41.71 2q9l h LEU 51 CO 0.00 1.10 1.14 -0.75 -0.34 0.00 0.00 178.44 179.59 2q9l s LYS 52 N -4.24 4.15 0.00 1.25 2.20 -1.26 -2.05 119.74 119.78 2q9l s LYS 52 Ca -0.12 2.56 0.00 0.00 -0.36 0.00 0.00 55.97 58.05 2q9l s LYS 52 Cb 0.08 -3.80 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 2q9l s LYS 52 CO 0.83 -0.87 0.00 0.41 -0.36 0.00 0.00 175.35 175.36 2q9l n GLY 53 N 4.31 2.55 3.74 5.54 0.00 -1.26 -5.03 105.19 115.04 2q9l n GLY 53 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2q9l n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2q9l s SER 54 N -2.03 5.05 0.28 1.61 1.04 -0.87 -4.58 113.70 114.20 2q9l s SER 54 Ca 0.00 2.62 0.02 0.00 0.48 0.00 0.00 55.95 59.07 2q9l s SER 54 Cb 0.00 -2.62 0.62 0.00 0.10 0.00 0.00 66.02 64.12 2q9l s SER 54 CO 0.00 -1.71 1.75 0.58 0.98 0.00 0.00 173.24 174.84 2q9l h VAL 55 N 1.03 0.65 -0.41 5.02 2.07 -1.40 -2.09 116.25 121.12 2q9l h VAL 55 Ca -0.51 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 66.88 2q9l h VAL 55 Cb 1.31 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 2q9l h VAL 55 CO 0.55 0.11 0.07 0.00 0.02 0.00 0.00 177.57 178.32 2q9l h ALA 56 N 1.62 0.43 -0.41 1.67 0.00 -1.81 -1.12 119.26 119.64 2q9l h ALA 56 Ca 0.51 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.39 2q9l h ALA 56 Cb 0.81 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2q9l h ALA 56 CO -0.41 -0.33 -0.19 1.49 0.00 0.00 0.00 179.25 179.80 2q9l h GLU 57 N 0.20 0.80 -0.23 0.00 4.81 -1.61 -1.56 114.58 116.99 2q9l h GLU 57 Ca 0.20 -0.31 -0.19 0.00 -0.13 0.00 0.00 59.36 58.92 2q9l h GLU 57 Cb 0.25 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2q9l h GLU 57 CO -0.27 0.93 -0.61 0.93 -0.73 0.00 0.00 179.01 179.27 2q9l h GLU 58 N 0.71 0.82 -0.81 1.92 4.39 -1.20 0.59 114.58 121.01 2q9l h GLU 58 Ca 0.10 -0.57 0.02 0.00 0.34 0.00 0.00 59.36 59.25 2q9l h GLU 58 Cb 0.70 0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.40 2q9l h GLU 58 CO 0.05 1.20 0.52 -0.07 -1.16 0.00 0.00 179.01 179.55 2q9l h LEU 59 N 0.58 0.88 0.27 1.33 3.38 -1.19 -0.22 115.31 120.35 2q9l h LEU 59 Ca -0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2q9l h LEU 59 Cb 1.23 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2q9l h LEU 59 CO 0.13 0.62 -0.13 0.22 0.09 0.00 0.00 178.44 179.37 2q9l h TYR 60 N 1.04 -0.34 -0.88 1.13 3.20 -1.03 0.11 116.97 120.20 2q9l h TYR 60 Ca 0.31 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.32 2q9l h TYR 60 Cb -0.04 0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.27 2q9l h TYR 60 CO -0.02 -0.14 0.57 -0.44 -1.64 0.00 0.00 178.16 176.49 2q9l h ASP 61 N -0.46 0.62 -0.28 -2.11 3.32 -0.67 0.17 116.42 117.01 2q9l h ASP 61 Ca -0.04 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 2q9l h ASP 61 Cb 0.35 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2q9l h ASP 61 CO 0.06 0.31 -0.06 0.58 -1.72 0.00 0.00 179.24 178.41 2q9l h VAL 62 N 0.66 1.28 -0.91 -1.35 2.07 -0.85 -2.88 116.25 114.26 2q9l h VAL 62 Ca 0.45 -1.07 0.16 0.00 0.82 0.00 0.00 66.70 67.06 2q9l h VAL 62 Cb 0.76 1.41 -0.10 0.00 -1.52 0.00 0.00 31.29 31.84 2q9l h VAL 62 CO -0.20 0.34 0.51 0.25 0.02 0.00 0.00 177.57 178.49 2q9l h LEU 63 N 0.29 0.64 -0.66 2.57 5.85 0.88 -1.62 115.31 123.26 2q9l h LEU 63 Ca 0.07 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 2q9l h LEU 63 Cb 0.53 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2q9l h LEU 63 CO 0.03 0.25 0.32 0.22 -0.34 0.00 0.00 178.44 178.91 2q9l h TYR 64 N 0.69 0.95 0.00 1.25 3.20 -0.56 -1.80 116.97 120.71 2q9l h TYR 64 Ca 0.51 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 62.28 2q9l h TYR 64 Cb 0.74 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 2q9l h TYR 64 CO -0.06 0.71 -0.47 1.88 -1.64 0.00 0.00 178.16 178.58 2q9l h TYR 65 N 0.91 0.00 -0.12 -3.82 -1.99 -1.27 -1.15 116.97 109.54 2q9l h TYR 65 Ca 0.23 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.95 2q9l h TYR 65 Cb 0.12 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.84 2q9l h TYR 65 CO 0.00 0.21 0.04 0.28 -0.00 0.00 0.00 178.16 178.69 2q9l h VAL 66 N 0.00 1.17 -0.56 -2.88 2.07 -1.04 0.65 116.25 115.66 2q9l h VAL 66 Ca -0.02 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 2q9l h VAL 66 Cb 1.17 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 2q9l h VAL 66 CO 0.02 0.16 0.30 0.00 0.02 0.00 0.00 177.57 178.07 2q9l h ALA 68 N 1.13 0.92 -0.38 0.00 0.00 -1.19 -1.57 119.26 118.16 2q9l h ALA 68 Ca 0.20 -0.52 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 2q9l h ALA 68 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2q9l h ALA 68 CO -0.03 0.71 -0.33 -0.07 0.00 0.00 0.00 179.25 179.53 2q9l h LEU 69 N 0.15 0.91 -0.45 0.00 3.38 -0.76 -2.70 115.31 115.84 2q9l h LEU 69 Ca -0.00 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.63 2q9l h LEU 69 Cb 1.05 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 2q9l h LEU 69 CO 0.09 1.15 0.18 0.00 0.09 0.00 0.00 178.44 179.95 2q9l h ALA 70 N 0.90 0.55 -0.46 1.53 0.00 -0.84 0.18 119.26 121.12 2q9l h ALA 70 Ca 0.07 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2q9l h ALA 70 Cb 0.89 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 2q9l h ALA 70 CO 0.08 -0.20 0.26 -0.91 0.00 0.00 0.00 179.25 178.48 2q9l h ASN 71 N 0.37 0.39 -0.70 0.00 2.35 -1.26 0.15 115.58 116.87 2q9l h ASN 71 Ca 0.21 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.92 2q9l h ASN 71 Cb 0.18 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 2q9l h ASN 71 CO -0.19 0.28 0.25 0.40 -1.65 0.00 0.00 177.43 176.52 2q9l h ILE 72 N 0.51 1.25 -0.52 2.81 1.08 -1.10 -3.04 117.51 118.49 2q9l h ILE 72 Ca 0.19 -0.83 0.00 0.00 -0.39 0.00 0.00 64.86 63.83 2q9l h ILE 72 Cb 0.06 0.43 0.00 0.00 -3.07 0.00 0.00 36.82 34.24 2q9l h ILE 72 CO -0.11 0.33 0.00 1.41 -0.69 0.00 0.00 178.15 179.09 2q9l n HIS 73 N -4.27 0.74 -2.70 1.37 8.25 0.01 -4.94 115.22 113.68 2q9l n HIS 73 Ca 0.06 -0.36 -0.17 0.00 -0.26 0.00 0.00 57.72 56.99 2q9l n HIS 73 Cb 0.20 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.32 2q9l n HIS 73 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2q9l n GLY 74 N 1.30 -0.28 3.77 -1.41 0.00 -0.77 -5.01 105.19 102.79 2q9l n GLY 74 Ca 0.18 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 2q9l n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2q9l s VAL 75 N -2.98 5.43 -0.45 1.61 1.01 0.46 -5.03 120.40 120.44 2q9l s VAL 75 Ca 0.17 0.21 -0.15 0.00 0.00 0.00 0.00 61.98 62.21 2q9l s VAL 75 Cb -0.08 -3.46 0.05 0.00 0.00 0.00 0.00 36.38 32.90 2q9l s VAL 75 CO 0.21 0.48 0.36 0.21 0.00 0.00 0.00 175.10 176.37 2q9l s ASN 76 N 0.01 6.13 0.27 3.32 3.84 -1.26 -4.37 114.94 122.88 2q9l s ASN 76 Ca 0.10 -1.15 -0.01 0.00 0.21 0.00 0.00 52.86 52.02 2q9l s ASN 76 Cb -0.11 -2.18 0.37 0.00 -0.55 0.00 0.00 41.25 38.79 2q9l s ASN 76 CO -0.00 -0.57 1.76 -0.07 -2.79 0.00 0.00 177.10 175.43 2q9l h LEU 77 N 8.71 0.68 -0.37 3.21 3.38 -1.95 0.00 115.31 128.98 2q9l h LEU 77 Ca -0.28 -0.17 -0.17 0.00 0.09 0.00 0.00 57.88 57.34 2q9l h LEU 77 Cb 1.11 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 2q9l h LEU 77 CO 0.82 0.78 -0.50 -0.08 0.09 0.00 0.00 178.44 179.56 2q9l h GLU 78 N 0.66 0.85 -0.59 1.13 4.81 -1.93 0.25 114.58 119.76 2q9l h GLU 78 Ca 0.12 -0.51 -0.10 0.00 -0.13 0.00 0.00 59.36 58.75 2q9l h GLU 78 Cb 0.48 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 2q9l h GLU 78 CO 0.02 1.14 -0.01 -0.22 -0.73 0.00 0.00 179.01 179.22 2q9l h LYS 79 N 0.67 1.05 -0.55 1.92 1.63 -1.95 -2.44 116.57 116.90 2q9l h LYS 79 Ca 0.03 -0.34 -0.07 0.00 -0.85 0.00 0.00 60.65 59.42 2q9l h LYS 79 Cb 1.09 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.61 2q9l h LYS 79 CO 0.11 1.04 0.06 1.15 -3.45 0.00 0.00 179.45 178.36 2q9l h THR 80 N 0.95 1.26 -0.62 1.00 2.02 -0.80 -2.12 112.91 114.59 2q9l h THR 80 Ca 0.17 -1.01 0.08 0.00 0.77 0.00 0.00 66.41 66.42 2q9l h THR 80 Cb 0.57 0.84 -0.06 0.00 -1.74 0.00 0.00 68.15 67.76 2q9l h THR 80 CO 0.03 0.36 0.28 -0.74 0.37 0.00 0.00 175.52 175.83 2q9l h HIS 81 N 0.81 0.51 -0.39 3.16 -0.00 -0.48 -1.10 115.15 117.66 2q9l h HIS 81 Ca 0.16 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.57 2q9l h HIS 81 Cb 0.45 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.70 2q9l h HIS 81 CO 0.03 0.19 0.26 0.93 -0.00 0.00 0.00 177.93 179.34 2q9l h GLU 82 N 0.51 0.51 -0.66 5.26 5.08 -1.23 -1.70 114.58 122.35 2q9l h GLU 82 Ca 0.30 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.58 2q9l h GLU 82 Cb 0.29 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2q9l h GLU 82 CO -0.24 0.34 0.24 -0.07 -1.00 0.00 0.00 179.01 178.27 2q9l h LEU 83 N 0.52 0.93 -1.02 1.33 3.38 -1.06 -2.72 115.31 116.68 2q9l h LEU 83 Ca 0.14 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2q9l h LEU 83 Cb -0.05 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 2q9l h LEU 83 CO -0.04 0.86 0.21 0.11 0.09 0.00 0.00 178.44 179.68 2q9l h LYS 84 N 0.94 0.92 -0.66 1.13 1.79 -1.08 -2.24 116.57 117.37 2q9l h LYS 84 Ca 0.22 -0.16 0.13 0.00 -2.18 0.00 0.00 60.65 58.65 2q9l h LYS 84 Cb 0.24 -0.15 -0.09 0.00 -1.58 0.00 0.00 32.23 30.65 2q9l h LYS 84 CO -0.01 0.77 0.18 0.93 -1.08 0.00 0.00 179.45 180.24 2q9l h GLU 85 N 0.89 0.30 -0.01 3.15 5.08 -1.01 -0.43 114.58 122.55 2q9l h GLU 85 Ca 0.20 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2q9l h GLU 85 Cb 0.23 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2q9l h GLU 85 CO -0.01 0.20 0.00 0.28 -1.00 0.00 0.00 179.01 178.48 2q9l h VAL 86 N 0.31 1.13 -0.30 3.13 2.07 -1.18 -1.94 116.25 119.47 2q9l h VAL 86 Ca 0.36 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 2q9l h VAL 86 Cb 0.54 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 2q9l h VAL 86 CO -0.42 0.10 -0.05 -0.07 0.02 0.00 0.00 177.57 177.16 2q9l h LEU 87 N -0.14 0.44 -0.71 2.57 3.38 -1.27 -2.84 115.31 116.74 2q9l h LEU 87 Ca 0.00 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 2q9l h LEU 87 Cb 0.17 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2q9l h LEU 87 CO -0.00 0.55 -0.52 0.78 0.09 0.00 0.00 178.44 179.34 2q9l h ASN 88 N 0.45 0.36 0.57 -0.43 2.35 -0.93 -3.06 115.58 114.89 2q9l h ASN 88 Ca 0.09 -0.18 -0.09 0.00 -0.55 0.00 0.00 56.30 55.57 2q9l h ASN 88 Cb 0.37 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2q9l h ASN 88 CO 0.02 0.81 -0.45 0.11 -1.65 0.00 0.00 177.43 176.27 2q9l h LYS 89 N 0.26 0.00 0.00 0.81 1.57 -1.12 -3.51 116.57 114.57 2q9l h LYS 89 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2q9l h LYS 89 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2q9l h LYS 89 CO 0.09 0.45 0.00 0.28 -0.57 0.00 0.00 179.45 179.69